NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582846 | 2mqu | 25050 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.429 0.732 0.505 2 HA2 GLY 1 HA2 GLY 1 2.401 -1.162 -1.466 3 HA3 GLY 1 HA3 GLY 1 1.577 0.241 -2.130 4 H CYS 2 H CYS 2 4.456 -0.959 -0.668 5 HA CYS 2 HA CYS 2 5.844 1.488 -1.392 6 HB2 CYS 2 HB2 CYS 2 6.955 1.666 0.816 7 HB3 CYS 2 HB3 CYS 2 5.221 1.956 0.908 8 H ILE 3 H ILE 3 8.192 1.237 -1.350 9 HA ILE 3 HA ILE 3 8.937 -1.473 -2.101 10 HB ILE 3 HB ILE 3 10.562 1.069 -2.245 11 HG12 ILE 3 HG12 ILE 3 9.694 -0.127 -4.758 12 HG13 ILE 3 HG13 ILE 3 8.336 0.364 -3.752 13 HG21 ILE 3 HG21 ILE 3 11.034 -1.586 -3.590 14 HG22 ILE 3 HG22 ILE 3 12.066 -0.159 -3.665 15 HG23 ILE 3 HG23 ILE 3 11.876 -1.030 -2.144 16 HD11 ILE 3 HD11 ILE 3 10.217 2.465 -3.702 17 HD12 ILE 3 HD12 ILE 3 10.021 1.963 -5.381 18 HD13 ILE 3 HD13 ILE 3 8.613 2.443 -4.434 19 H ALA 4 H ALA 4 9.850 -2.824 -0.716 20 HA ALA 4 HA ALA 4 10.790 -1.925 1.851 21 HB1 ALA 4 HB1 ALA 4 9.594 -4.176 1.125 22 HB2 ALA 4 HB2 ALA 4 11.265 -4.712 0.949 23 HB3 ALA 4 HB3 ALA 4 10.693 -4.104 2.503 24 H LYS 5 H LYS 5 12.918 -2.818 2.694 25 HA LYS 5 HA LYS 5 15.025 -1.814 1.038 26 HB2 LYS 5 HB2 LYS 5 16.486 -2.521 2.952 27 HB3 LYS 5 HB3 LYS 5 15.184 -1.423 3.391 28 HG2 LYS 5 HG2 LYS 5 14.333 -4.161 3.641 29 HG3 LYS 5 HG3 LYS 5 15.806 -3.869 4.568 30 HD2 LYS 5 HD2 LYS 5 13.824 -1.740 4.831 31 HD3 LYS 5 HD3 LYS 5 13.250 -3.308 5.402 32 HE2 LYS 5 HE2 LYS 5 14.247 -2.528 7.307 33 HE3 LYS 5 HE3 LYS 5 15.609 -3.369 6.569 34 HZ1 LYS 5 HZ1 LYS 5 16.293 -1.212 5.607 35 HZ2 LYS 5 HZ2 LYS 5 16.332 -1.231 7.298 36 HZ3 LYS 5 HZ3 LYS 5 15.066 -0.453 6.490 37 H ASN 6 H ASN 6 14.389 -3.502 -0.669 38 HA ASN 6 HA ASN 6 16.468 -5.340 -0.947 39 HB2 ASN 6 HB2 ASN 6 14.857 -6.389 0.885 40 HB3 ASN 6 HB3 ASN 6 13.957 -6.902 -0.539 41 HD21 ASN 6 HD21 ASN 6 14.404 -9.066 -0.058 42 HD22 ASN 6 HD22 ASN 6 15.958 -9.758 -0.361 43 H LYS 7 H LYS 7 13.273 -4.269 -1.786 44 HA LYS 7 HA LYS 7 13.303 -5.575 -4.374 45 HB2 LYS 7 HB2 LYS 7 11.357 -3.528 -3.295 46 HB3 LYS 7 HB3 LYS 7 11.127 -4.550 -4.708 47 HG2 LYS 7 HG2 LYS 7 11.689 -6.247 -2.516 48 HG3 LYS 7 HG3 LYS 7 10.469 -5.081 -1.998 49 HD2 LYS 7 HD2 LYS 7 9.124 -5.644 -3.986 50 HD3 LYS 7 HD3 LYS 7 10.330 -6.850 -4.440 51 HE2 LYS 7 HE2 LYS 7 9.423 -8.347 -3.070 52 HE3 LYS 7 HE3 LYS 7 9.535 -7.232 -1.709 53 HZ1 LYS 7 HZ1 LYS 7 7.368 -6.976 -3.694 54 HZ2 LYS 7 HZ2 LYS 7 7.416 -6.418 -2.099 55 HZ3 LYS 7 HZ3 LYS 7 7.237 -8.071 -2.411 56 H GLU 8 H GLU 8 13.446 -4.534 -6.366 57 HA GLU 8 HA GLU 8 15.308 -2.498 -6.623 58 HB2 GLU 8 HB2 GLU 8 14.871 -2.532 -8.921 59 HB3 GLU 8 HB3 GLU 8 14.431 -4.149 -8.389 60 HG2 GLU 8 HG2 GLU 8 12.067 -3.431 -8.303 61 HG3 GLU 8 HG3 GLU 8 12.553 -1.869 -8.961 62 H CYS 9 H CYS 9 15.120 -0.303 -7.292 63 HA CYS 9 HA CYS 9 12.537 0.999 -7.033 64 HB2 CYS 9 HB2 CYS 9 13.355 0.922 -4.716 65 HB3 CYS 9 HB3 CYS 9 14.851 1.705 -5.216 66 H ALA 10 H ALA 10 12.421 2.281 -8.742 67 HA ALA 10 HA ALA 10 14.840 3.284 -10.001 68 HB1 ALA 10 HB1 ALA 10 12.337 4.186 -11.165 69 HB2 ALA 10 HB2 ALA 10 13.658 3.271 -11.891 70 HB3 ALA 10 HB3 ALA 10 12.404 2.434 -10.977 71 H TRP 11 H TRP 11 15.303 5.464 -10.356 72 HA TRP 11 HA TRP 11 14.670 7.219 -8.241 73 HB2 TRP 11 HB2 TRP 11 16.147 7.448 -10.823 74 HB3 TRP 11 HB3 TRP 11 15.677 8.935 -10.003 75 HD1 TRP 11 HD1 TRP 11 16.472 6.213 -7.585 76 HE1 TRP 11 HE1 TRP 11 18.795 6.606 -6.546 77 HE3 TRP 11 HE3 TRP 11 18.150 9.890 -10.715 78 HZ2 TRP 11 HZ2 TRP 11 21.040 8.256 -6.995 79 HZ3 TRP 11 HZ3 TRP 11 20.397 10.823 -10.342 80 HH2 TRP 11 HH2 TRP 11 21.810 10.021 -8.519 81 H PHE 12 H PHE 12 12.952 6.398 -11.033 82 HA PHE 12 HA PHE 12 11.147 8.676 -10.611 83 HB2 PHE 12 HB2 PHE 12 12.730 8.685 -12.755 84 HB3 PHE 12 HB3 PHE 12 11.461 7.641 -13.387 85 HD1 PHE 12 HD2 PHE 12 12.079 10.964 -11.868 86 HD2 PHE 12 HD1 PHE 12 9.465 8.540 -14.193 87 HE1 PHE 12 HE2 PHE 12 10.725 12.946 -12.407 88 HE2 PHE 12 HE1 PHE 12 8.107 10.518 -14.737 89 HZ PHE 12 HZ PHE 12 8.736 12.725 -13.842 90 H SER 13 H SER 13 11.237 5.734 -9.901 91 HA SER 13 HA SER 13 9.384 4.278 -11.392 92 HB2 SER 13 HB2 SER 13 9.076 2.924 -9.329 93 HB3 SER 13 HB3 SER 13 10.775 3.215 -9.702 94 HG SER 13 HG SER 13 10.814 3.874 -7.698 95 H GLY 14 H GLY 14 8.925 6.913 -9.221 96 HA2 GLY 14 HA2 GLY 14 6.951 8.181 -9.079 97 HA3 GLY 14 HA3 GLY 14 6.055 6.821 -9.740 98 H GLU 15 H GLU 15 7.533 5.082 -7.699 99 HA GLU 15 HA GLU 15 5.647 5.607 -5.516 100 HB2 GLU 15 HB2 GLU 15 6.331 3.229 -4.835 101 HB3 GLU 15 HB3 GLU 15 5.347 3.412 -6.281 102 HG2 GLU 15 HG2 GLU 15 8.228 3.461 -6.777 103 HG3 GLU 15 HG3 GLU 15 7.628 1.945 -6.109 104 H TRP 16 H TRP 16 6.613 4.590 -3.344 105 HA TRP 16 HA TRP 16 9.348 5.603 -2.980 106 HB2 TRP 16 HB2 TRP 16 7.201 6.093 -0.926 107 HB3 TRP 16 HB3 TRP 16 8.783 6.855 -1.063 108 HD1 TRP 16 HD1 TRP 16 8.815 7.996 -3.908 109 HE1 TRP 16 HE1 TRP 16 7.165 9.824 -4.657 110 HE3 TRP 16 HE3 TRP 16 5.152 7.263 -0.417 111 HZ2 TRP 16 HZ2 TRP 16 4.644 10.824 -3.871 112 HZ3 TRP 16 HZ3 TRP 16 3.154 8.698 -0.485 113 HH2 TRP 16 HH2 TRP 16 2.908 10.441 -2.177 114 H CYS 17 H CYS 17 10.406 4.790 -1.032 115 HA CYS 17 HA CYS 17 9.847 1.994 -0.657 116 HB2 CYS 17 HB2 CYS 17 11.880 3.605 0.877 117 HB3 CYS 17 HB3 CYS 17 11.912 1.886 0.497 118 H CYS 18 H CYS 18 9.748 1.012 1.519 119 HA CYS 18 HA CYS 18 7.638 2.154 3.034 120 HB2 CYS 18 HB2 CYS 18 9.469 -0.123 3.817 121 HB3 CYS 18 HB3 CYS 18 7.880 0.226 4.490 122 H GLY 19 H GLY 19 7.803 2.368 5.476 123 HA2 GLY 19 HA2 GLY 19 8.588 3.613 7.240 124 HA3 GLY 19 HA3 GLY 19 10.147 2.900 6.851 125 H ALA 20 H ALA 20 11.724 4.196 6.141 126 HA ALA 20 HA ALA 20 11.093 6.706 4.822 127 HB1 ALA 20 HB1 ALA 20 12.233 6.535 7.572 128 HB2 ALA 20 HB2 ALA 20 12.754 7.835 6.499 129 HB3 ALA 20 HB3 ALA 20 11.048 7.662 6.912 130 H LEU 21 H LEU 21 12.399 4.269 4.017 131 HA LEU 21 HA LEU 21 15.227 4.959 3.866 132 HB2 LEU 21 HB2 LEU 21 13.907 2.585 2.589 133 HB3 LEU 21 HB3 LEU 21 15.598 2.786 3.044 134 HG LEU 21 HG LEU 21 13.486 2.754 5.160 135 HD11 LEU 21 HD11 LEU 21 14.776 0.188 4.473 136 HD12 LEU 21 HD12 LEU 21 13.485 0.736 3.403 137 HD13 LEU 21 HD13 LEU 21 13.170 0.517 5.125 138 HD21 LEU 21 HD21 LEU 21 15.217 2.554 6.565 139 HD22 LEU 21 HD22 LEU 21 16.195 3.105 5.204 140 HD23 LEU 21 HD23 LEU 21 16.039 1.379 5.538 141 H SER 22 H SER 22 16.346 4.960 1.802 142 HA SER 22 HA SER 22 14.641 6.019 -0.354 143 HB2 SER 22 HB2 SER 22 16.296 7.612 0.648 144 HB3 SER 22 HB3 SER 22 17.588 6.552 0.084 145 HG SER 22 HG SER 22 15.629 7.729 -1.598 146 H CYS 23 H CYS 23 16.148 5.905 -2.516 147 HA CYS 23 HA CYS 23 16.571 3.028 -2.899 148 HB2 CYS 23 HB2 CYS 23 16.416 5.077 -5.098 149 HB3 CYS 23 HB3 CYS 23 16.103 3.347 -5.187 150 H LYS 24 H LYS 24 18.610 2.397 -2.665 151 HA LYS 24 HA LYS 24 20.735 4.090 -3.809 152 HB2 LYS 24 HB2 LYS 24 21.296 2.169 -1.585 153 HB3 LYS 24 HB3 LYS 24 22.154 3.638 -2.031 154 HG2 LYS 24 HG2 LYS 24 21.133 4.391 -0.158 155 HG3 LYS 24 HG3 LYS 24 19.848 4.742 -1.316 156 HD2 LYS 24 HD2 LYS 24 18.701 2.704 -0.736 157 HD3 LYS 24 HD3 LYS 24 20.036 2.205 0.305 158 HE2 LYS 24 HE2 LYS 24 18.515 4.756 0.762 159 HE3 LYS 24 HE3 LYS 24 17.982 3.216 1.433 160 HZ1 LYS 24 HZ1 LYS 24 20.091 4.943 2.300 161 HZ2 LYS 24 HZ2 LYS 24 20.623 3.351 2.091 162 HZ3 LYS 24 HZ3 LYS 24 19.326 3.680 3.126 163 H TYR 25 H TYR 25 22.712 2.849 -4.420 164 HA TYR 25 HA TYR 25 21.942 0.585 -6.028 165 HB2 TYR 25 HB2 TYR 25 23.471 2.251 -6.942 166 HB3 TYR 25 HB3 TYR 25 24.624 1.933 -5.651 167 HD1 TYR 25 HD1 TYR 25 25.931 -0.138 -5.632 168 HD2 TYR 25 HD2 TYR 25 23.248 0.747 -8.814 169 HE1 TYR 25 HE1 TYR 25 26.996 -1.878 -7.006 170 HE2 TYR 25 HE2 TYR 25 24.305 -0.992 -10.196 171 HH TYR 25 HH TYR 25 26.172 -2.311 -10.385 172 H SER 26 H SER 26 22.281 -1.511 -5.619 173 HA SER 26 HA SER 26 23.776 -2.199 -3.177 174 HB2 SER 26 HB2 SER 26 21.289 -3.275 -4.408 175 HB3 SER 26 HB3 SER 26 22.349 -4.425 -3.594 176 HG SER 26 HG SER 26 21.009 -2.184 -2.529 177 H ILE 27 H ILE 27 25.808 -2.536 -3.964 178 HA ILE 27 HA ILE 27 26.541 -3.693 -6.369 179 HB ILE 27 HB ILE 27 28.107 -4.114 -3.833 180 HG12 ILE 27 HG12 ILE 27 29.079 -1.795 -4.989 181 HG13 ILE 27 HG13 ILE 27 27.334 -1.611 -5.132 182 HG21 ILE 27 HG21 ILE 27 29.872 -4.555 -5.159 183 HG22 ILE 27 HG22 ILE 27 28.632 -4.921 -6.357 184 HG23 ILE 27 HG23 ILE 27 29.413 -3.340 -6.352 185 HD11 ILE 27 HD11 ILE 27 27.539 -0.732 -3.080 186 HD12 ILE 27 HD12 ILE 27 27.524 -2.421 -2.573 187 HD13 ILE 27 HD13 ILE 27 29.057 -1.568 -2.755 188 H LYS 28 H LYS 28 26.008 -5.269 -3.231 189 HA LYS 28 HA LYS 28 26.710 -7.865 -3.948 190 HB2 LYS 28 HB2 LYS 28 25.086 -8.537 -2.109 191 HB3 LYS 28 HB3 LYS 28 26.370 -7.426 -1.651 192 HG2 LYS 28 HG2 LYS 28 24.919 -5.867 -1.030 193 HG3 LYS 28 HG3 LYS 28 24.002 -6.017 -2.531 194 HD2 LYS 28 HD2 LYS 28 22.468 -7.377 -1.601 195 HD3 LYS 28 HD3 LYS 28 23.675 -8.257 -0.660 196 HE2 LYS 28 HE2 LYS 28 22.838 -5.462 0.050 197 HE3 LYS 28 HE3 LYS 28 21.943 -6.871 0.618 198 HZ1 LYS 28 HZ1 LYS 28 24.742 -7.161 1.056 199 HZ2 LYS 28 HZ2 LYS 28 23.468 -7.260 2.163 200 HZ3 LYS 28 HZ3 LYS 28 24.153 -5.758 1.795 201 H ARG 29 H ARG 29 23.720 -6.093 -4.455 202 HA ARG 29 HA ARG 29 22.453 -8.450 -5.631 203 HB2 ARG 29 HB2 ARG 29 21.366 -5.681 -5.085 204 HB3 ARG 29 HB3 ARG 29 20.435 -7.016 -5.751 205 HG2 ARG 29 HG2 ARG 29 21.677 -7.912 -3.361 206 HG3 ARG 29 HG3 ARG 29 20.894 -6.364 -3.038 207 HD2 ARG 29 HD2 ARG 29 19.430 -8.346 -2.667 208 HD3 ARG 29 HD3 ARG 29 18.794 -7.185 -3.831 209 HE ARG 29 HE ARG 29 20.287 -9.267 -5.090 210 HH11 ARG 29 HH11 ARG 29 17.192 -8.469 -3.709 211 HH12 ARG 29 HH12 ARG 29 16.324 -9.632 -4.655 212 HH21 ARG 29 HH21 ARG 29 19.156 -10.802 -6.341 213 HH22 ARG 29 HH22 ARG 29 17.442 -10.959 -6.152 214 H ASN 30 H ASN 30 24.593 -6.300 -6.685 215 HA ASN 30 HA ASN 30 25.084 -5.256 -8.667 216 HB2 ASN 30 HB2 ASN 30 24.910 -6.742 -10.605 217 HB3 ASN 30 HB3 ASN 30 25.459 -7.633 -9.188 218 HD21 ASN 30 HD21 ASN 30 22.961 -7.219 -11.515 219 HD22 ASN 30 HD22 ASN 30 21.992 -8.566 -11.035 220 H LEU 31 H LEU 31 22.550 -4.461 -7.556 221 HA LEU 31 HA LEU 31 21.380 -3.337 -9.955 222 HB2 LEU 31 HB2 LEU 31 19.762 -5.009 -8.039 223 HB3 LEU 31 HB3 LEU 31 19.083 -3.983 -9.301 224 HG LEU 31 HG LEU 31 20.923 -6.300 -9.866 225 HD11 LEU 31 HD11 LEU 31 17.998 -6.212 -9.370 226 HD12 LEU 31 HD12 LEU 31 19.169 -7.487 -9.032 227 HD13 LEU 31 HD13 LEU 31 18.587 -7.239 -10.678 228 HD21 LEU 31 HD21 LEU 31 20.759 -5.708 -12.004 229 HD22 LEU 31 HD22 LEU 31 20.056 -4.189 -11.448 230 HD23 LEU 31 HD23 LEU 31 19.007 -5.535 -11.893 231 H LYS 32 H LYS 32 19.144 -2.177 -8.940 232 HA LYS 32 HA LYS 32 20.186 -0.524 -6.733 233 HB2 LYS 32 HB2 LYS 32 18.366 0.305 -9.002 234 HB3 LYS 32 HB3 LYS 32 18.887 1.345 -7.683 235 HG2 LYS 32 HG2 LYS 32 20.353 1.960 -9.323 236 HG3 LYS 32 HG3 LYS 32 21.281 0.696 -8.512 237 HD2 LYS 32 HD2 LYS 32 21.009 -0.797 -10.235 238 HD3 LYS 32 HD3 LYS 32 19.490 -0.071 -10.767 239 HE2 LYS 32 HE2 LYS 32 21.369 1.936 -11.125 240 HE3 LYS 32 HE3 LYS 32 22.211 0.469 -11.619 241 HZ1 LYS 32 HZ1 LYS 32 19.746 0.238 -12.758 242 HZ2 LYS 32 HZ2 LYS 32 21.163 0.716 -13.549 243 HZ3 LYS 32 HZ3 LYS 32 20.102 1.882 -12.936 244 H ILE 33 H ILE 33 19.139 -0.955 -4.911 245 HA ILE 33 HA ILE 33 16.212 -1.195 -5.001 246 HB ILE 33 HB ILE 33 16.144 -3.035 -3.539 247 HG12 ILE 33 HG12 ILE 33 19.094 -2.547 -3.116 248 HG13 ILE 33 HG13 ILE 33 17.803 -2.440 -1.923 249 HG21 ILE 33 HG21 ILE 33 16.909 -3.434 -5.955 250 HG22 ILE 33 HG22 ILE 33 18.489 -3.776 -5.253 251 HG23 ILE 33 HG23 ILE 33 17.094 -4.754 -4.800 252 HD11 ILE 33 HD11 ILE 33 17.535 -5.004 -2.675 253 HD12 ILE 33 HD12 ILE 33 19.267 -4.780 -2.927 254 HD13 ILE 33 HD13 ILE 33 18.559 -4.470 -1.342 255 H CYS 34 H CYS 34 15.330 -1.106 -2.651 256 HA CYS 34 HA CYS 34 16.362 1.334 -1.490 257 HB2 CYS 34 HB2 CYS 34 13.941 -0.375 -0.927 258 HB3 CYS 34 HB3 CYS 34 14.370 1.004 0.080 259 H VAL 35 H VAL 35 16.677 1.539 0.859 260 HA VAL 35 HA VAL 35 17.418 -0.906 2.262 261 HB VAL 35 HB VAL 35 19.401 1.351 1.958 262 HG11 VAL 35 HG11 VAL 35 20.139 0.440 3.876 263 HG12 VAL 35 HG12 VAL 35 19.238 -1.058 3.631 264 HG13 VAL 35 HG13 VAL 35 20.786 -0.815 2.821 265 HG21 VAL 35 HG21 VAL 35 19.133 0.155 -0.157 266 HG22 VAL 35 HG22 VAL 35 20.705 -0.178 0.568 267 HG23 VAL 35 HG23 VAL 35 19.417 -1.378 0.668 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.298 -1.019 -1.519 3 HA3 GLY 1 HA3 GLY 1 1.456 0.440 -2.019 4 H CYS 2 H CYS 2 4.393 -0.893 -0.781 5 HA CYS 2 HA CYS 2 5.802 1.541 -1.469 6 HB2 CYS 2 HB2 CYS 2 6.959 1.684 0.719 7 HB3 CYS 2 HB3 CYS 2 5.233 2.008 0.845 8 H ILE 3 H ILE 3 8.164 1.245 -1.409 9 HA ILE 3 HA ILE 3 8.840 -1.471 -2.217 10 HB ILE 3 HB ILE 3 10.508 1.043 -2.359 11 HG12 ILE 3 HG12 ILE 3 9.629 -0.093 -4.882 12 HG13 ILE 3 HG13 ILE 3 8.261 0.342 -3.863 13 HG21 ILE 3 HG21 ILE 3 11.803 -1.060 -2.284 14 HG22 ILE 3 HG22 ILE 3 10.923 -1.622 -3.704 15 HG23 ILE 3 HG23 ILE 3 11.969 -0.207 -3.818 16 HD11 ILE 3 HD11 ILE 3 10.154 2.460 -3.788 17 HD12 ILE 3 HD12 ILE 3 9.850 2.020 -5.469 18 HD13 ILE 3 HD13 ILE 3 8.507 2.462 -4.416 19 H ALA 4 H ALA 4 9.770 -2.855 -0.875 20 HA ALA 4 HA ALA 4 10.734 -2.014 1.701 21 HB1 ALA 4 HB1 ALA 4 10.014 -4.061 2.175 22 HB2 ALA 4 HB2 ALA 4 9.916 -4.483 0.465 23 HB3 ALA 4 HB3 ALA 4 11.434 -4.690 1.339 24 H LYS 5 H LYS 5 12.865 -2.841 2.523 25 HA LYS 5 HA LYS 5 14.958 -1.854 0.842 26 HB2 LYS 5 HB2 LYS 5 16.433 -2.535 2.758 27 HB3 LYS 5 HB3 LYS 5 15.133 -1.430 3.187 28 HG2 LYS 5 HG2 LYS 5 14.354 -4.210 3.471 29 HG3 LYS 5 HG3 LYS 5 15.759 -3.794 4.455 30 HD2 LYS 5 HD2 LYS 5 13.402 -1.964 4.436 31 HD3 LYS 5 HD3 LYS 5 13.325 -3.454 5.379 32 HE2 LYS 5 HE2 LYS 5 15.727 -1.717 5.652 33 HE3 LYS 5 HE3 LYS 5 14.227 -1.202 6.422 34 HZ1 LYS 5 HZ1 LYS 5 15.916 -3.524 7.011 35 HZ2 LYS 5 HZ2 LYS 5 14.252 -3.652 7.288 36 HZ3 LYS 5 HZ3 LYS 5 15.150 -2.452 8.073 37 H ASN 6 H ASN 6 14.355 -3.547 -0.853 38 HA ASN 6 HA ASN 6 16.432 -5.395 -1.091 39 HB2 ASN 6 HB2 ASN 6 14.788 -6.429 0.719 40 HB3 ASN 6 HB3 ASN 6 13.905 -6.940 -0.717 41 HD21 ASN 6 HD21 ASN 6 14.356 -9.103 -0.102 42 HD22 ASN 6 HD22 ASN 6 15.899 -9.807 -0.427 43 H LYS 7 H LYS 7 13.249 -4.324 -1.983 44 HA LYS 7 HA LYS 7 13.337 -5.626 -4.575 45 HB2 LYS 7 HB2 LYS 7 11.339 -3.582 -3.603 46 HB3 LYS 7 HB3 LYS 7 11.145 -4.721 -4.929 47 HG2 LYS 7 HG2 LYS 7 11.727 -6.197 -2.574 48 HG3 LYS 7 HG3 LYS 7 10.442 -5.042 -2.208 49 HD2 LYS 7 HD2 LYS 7 9.049 -5.904 -3.907 50 HD3 LYS 7 HD3 LYS 7 10.376 -6.806 -4.645 51 HE2 LYS 7 HE2 LYS 7 9.080 -8.405 -3.496 52 HE3 LYS 7 HE3 LYS 7 10.494 -8.122 -2.482 53 HZ1 LYS 7 HZ1 LYS 7 8.949 -7.886 -0.890 54 HZ2 LYS 7 HZ2 LYS 7 7.705 -7.521 -1.976 55 HZ3 LYS 7 HZ3 LYS 7 8.795 -6.317 -1.503 56 H GLU 8 H GLU 8 13.490 -4.569 -6.560 57 HA GLU 8 HA GLU 8 15.327 -2.503 -6.774 58 HB2 GLU 8 HB2 GLU 8 14.921 -2.523 -9.082 59 HB3 GLU 8 HB3 GLU 8 14.523 -4.155 -8.565 60 HG2 GLU 8 HG2 GLU 8 12.138 -3.517 -8.512 61 HG3 GLU 8 HG3 GLU 8 12.581 -1.931 -9.141 62 H CYS 9 H CYS 9 15.112 -0.308 -7.442 63 HA CYS 9 HA CYS 9 12.505 0.950 -7.224 64 HB2 CYS 9 HB2 CYS 9 13.231 0.899 -4.896 65 HB3 CYS 9 HB3 CYS 9 14.769 1.633 -5.337 66 H ALA 10 H ALA 10 12.352 2.465 -8.735 67 HA ALA 10 HA ALA 10 14.786 3.421 -10.034 68 HB1 ALA 10 HB1 ALA 10 13.576 3.663 -11.922 69 HB2 ALA 10 HB2 ALA 10 12.483 2.542 -11.110 70 HB3 ALA 10 HB3 ALA 10 12.160 4.275 -11.066 71 H TRP 11 H TRP 11 15.271 5.605 -10.315 72 HA TRP 11 HA TRP 11 14.664 7.296 -8.143 73 HB2 TRP 11 HB2 TRP 11 16.128 7.592 -10.723 74 HB3 TRP 11 HB3 TRP 11 15.667 9.060 -9.865 75 HD1 TRP 11 HD1 TRP 11 16.465 6.266 -7.527 76 HE1 TRP 11 HE1 TRP 11 18.790 6.627 -6.484 77 HE3 TRP 11 HE3 TRP 11 18.134 10.037 -10.549 78 HZ2 TRP 11 HZ2 TRP 11 21.035 8.290 -6.888 79 HZ3 TRP 11 HZ3 TRP 11 20.381 10.957 -10.154 80 HH2 TRP 11 HH2 TRP 11 21.800 10.101 -8.361 81 H PHE 12 H PHE 12 12.922 6.583 -10.951 82 HA PHE 12 HA PHE 12 11.120 8.839 -10.424 83 HB2 PHE 12 HB2 PHE 12 12.711 8.976 -12.556 84 HB3 PHE 12 HB3 PHE 12 11.453 7.960 -13.252 85 HD1 PHE 12 HD2 PHE 12 12.091 11.218 -11.627 86 HD2 PHE 12 HD1 PHE 12 9.400 8.869 -13.941 87 HE1 PHE 12 HE2 PHE 12 10.726 13.218 -12.063 88 HE2 PHE 12 HE1 PHE 12 8.031 10.865 -14.382 89 HZ PHE 12 HZ PHE 12 8.693 13.043 -13.442 90 H SER 13 H SER 13 11.168 5.907 -9.810 91 HA SER 13 HA SER 13 9.344 4.508 -11.408 92 HB2 SER 13 HB2 SER 13 9.276 2.901 -9.698 93 HB3 SER 13 HB3 SER 13 10.858 3.652 -9.490 94 HG SER 13 HG SER 13 10.200 3.997 -7.527 95 H GLY 14 H GLY 14 8.863 7.089 -9.209 96 HA2 GLY 14 HA2 GLY 14 6.874 8.334 -9.050 97 HA3 GLY 14 HA3 GLY 14 5.988 6.960 -9.696 98 H GLU 15 H GLU 15 7.495 5.233 -7.678 99 HA GLU 15 HA GLU 15 5.666 5.786 -5.448 100 HB2 GLU 15 HB2 GLU 15 6.247 3.382 -4.810 101 HB3 GLU 15 HB3 GLU 15 5.272 3.611 -6.255 102 HG2 GLU 15 HG2 GLU 15 7.109 3.172 -7.677 103 HG3 GLU 15 HG3 GLU 15 8.253 3.262 -6.339 104 H TRP 16 H TRP 16 6.655 4.711 -3.316 105 HA TRP 16 HA TRP 16 9.436 5.612 -3.023 106 HB2 TRP 16 HB2 TRP 16 7.365 6.168 -0.908 107 HB3 TRP 16 HB3 TRP 16 8.976 6.861 -1.074 108 HD1 TRP 16 HD1 TRP 16 8.990 8.030 -3.910 109 HE1 TRP 16 HE1 TRP 16 7.408 9.940 -4.597 110 HE3 TRP 16 HE3 TRP 16 5.388 7.428 -0.332 111 HZ2 TRP 16 HZ2 TRP 16 4.958 11.046 -3.737 112 HZ3 TRP 16 HZ3 TRP 16 3.458 8.954 -0.334 113 HH2 TRP 16 HH2 TRP 16 3.249 10.726 -2.001 114 H CYS 17 H CYS 17 10.498 4.760 -1.077 115 HA CYS 17 HA CYS 17 9.859 1.977 -0.728 116 HB2 CYS 17 HB2 CYS 17 11.965 3.479 0.810 117 HB3 CYS 17 HB3 CYS 17 11.945 1.779 0.353 118 H CYS 18 H CYS 18 9.669 0.954 1.387 119 HA CYS 18 HA CYS 18 7.646 2.125 2.957 120 HB2 CYS 18 HB2 CYS 18 9.477 -0.177 3.664 121 HB3 CYS 18 HB3 CYS 18 7.949 0.206 4.450 122 H GLY 19 H GLY 19 7.800 2.438 5.355 123 HA2 GLY 19 HA2 GLY 19 8.615 3.678 7.107 124 HA3 GLY 19 HA3 GLY 19 10.158 2.921 6.738 125 H ALA 20 H ALA 20 11.769 4.184 6.061 126 HA ALA 20 HA ALA 20 11.199 6.682 4.682 127 HB1 ALA 20 HB1 ALA 20 12.392 8.081 6.209 128 HB2 ALA 20 HB2 ALA 20 11.164 7.203 7.122 129 HB3 ALA 20 HB3 ALA 20 12.852 6.697 7.200 130 H LEU 21 H LEU 21 12.406 4.266 3.813 131 HA LEU 21 HA LEU 21 15.267 4.845 3.693 132 HB2 LEU 21 HB2 LEU 21 13.879 2.524 2.395 133 HB3 LEU 21 HB3 LEU 21 15.569 2.665 2.872 134 HG LEU 21 HG LEU 21 13.401 2.662 4.940 135 HD11 LEU 21 HD11 LEU 21 13.037 0.452 4.835 136 HD12 LEU 21 HD12 LEU 21 14.706 0.092 4.393 137 HD13 LEU 21 HD13 LEU 21 13.563 0.622 3.160 138 HD21 LEU 21 HD21 LEU 21 15.181 2.875 6.251 139 HD22 LEU 21 HD22 LEU 21 16.278 2.676 4.884 140 HD23 LEU 21 HD23 LEU 21 15.680 1.259 5.748 141 H SER 22 H SER 22 16.388 4.863 1.645 142 HA SER 22 HA SER 22 14.716 5.968 -0.513 143 HB2 SER 22 HB2 SER 22 17.434 6.648 0.503 144 HB3 SER 22 HB3 SER 22 17.140 6.827 -1.227 145 HG SER 22 HG SER 22 15.114 7.969 -0.336 146 H CYS 23 H CYS 23 16.186 5.821 -2.681 147 HA CYS 23 HA CYS 23 16.566 2.940 -3.072 148 HB2 CYS 23 HB2 CYS 23 16.417 5.000 -5.263 149 HB3 CYS 23 HB3 CYS 23 16.087 3.273 -5.358 150 H LYS 24 H LYS 24 18.629 2.435 -2.594 151 HA LYS 24 HA LYS 24 20.758 4.045 -3.841 152 HB2 LYS 24 HB2 LYS 24 21.253 2.128 -1.590 153 HB3 LYS 24 HB3 LYS 24 22.185 3.542 -2.066 154 HG2 LYS 24 HG2 LYS 24 21.200 4.466 -0.276 155 HG3 LYS 24 HG3 LYS 24 19.855 4.713 -1.392 156 HD2 LYS 24 HD2 LYS 24 18.970 2.476 -0.645 157 HD3 LYS 24 HD3 LYS 24 20.204 2.495 0.617 158 HE2 LYS 24 HE2 LYS 24 18.193 4.703 0.243 159 HE3 LYS 24 HE3 LYS 24 17.915 3.316 1.295 160 HZ1 LYS 24 HZ1 LYS 24 19.094 4.288 2.876 161 HZ2 LYS 24 HZ2 LYS 24 19.270 5.660 1.904 162 HZ3 LYS 24 HZ3 LYS 24 20.438 4.437 1.859 163 H TYR 25 H TYR 25 22.747 2.763 -4.396 164 HA TYR 25 HA TYR 25 21.968 0.524 -6.035 165 HB2 TYR 25 HB2 TYR 25 23.547 2.155 -6.917 166 HB3 TYR 25 HB3 TYR 25 24.660 1.831 -5.593 167 HD1 TYR 25 HD2 TYR 25 25.961 -0.236 -5.537 168 HD2 TYR 25 HD1 TYR 25 23.336 0.620 -8.775 169 HE1 TYR 25 HE2 TYR 25 27.043 -1.995 -6.872 170 HE2 TYR 25 HE1 TYR 25 24.410 -1.139 -10.118 171 HH TYR 25 HH TYR 25 26.023 -2.659 -10.210 172 H SER 26 H SER 26 22.283 -1.583 -5.648 173 HA SER 26 HA SER 26 23.681 -2.310 -3.160 174 HB2 SER 26 HB2 SER 26 21.237 -3.354 -4.501 175 HB3 SER 26 HB3 SER 26 22.256 -4.520 -3.658 176 HG SER 26 HG SER 26 21.636 -2.148 -2.331 177 H ILE 27 H ILE 27 25.738 -2.671 -3.854 178 HA ILE 27 HA ILE 27 26.550 -3.809 -6.251 179 HB ILE 27 HB ILE 27 28.030 -4.242 -3.666 180 HG12 ILE 27 HG12 ILE 27 29.044 -1.920 -4.775 181 HG13 ILE 27 HG13 ILE 27 27.306 -1.732 -4.979 182 HG21 ILE 27 HG21 ILE 27 28.662 -5.099 -6.111 183 HG22 ILE 27 HG22 ILE 27 29.354 -3.481 -6.200 184 HG23 ILE 27 HG23 ILE 27 29.876 -4.594 -4.937 185 HD11 ILE 27 HD11 ILE 27 27.438 -0.863 -2.917 186 HD12 ILE 27 HD12 ILE 27 27.403 -2.554 -2.419 187 HD13 ILE 27 HD13 ILE 27 28.942 -1.703 -2.542 188 H LYS 28 H LYS 28 25.876 -5.387 -3.144 189 HA LYS 28 HA LYS 28 26.598 -7.989 -3.864 190 HB2 LYS 28 HB2 LYS 28 25.056 -8.694 -2.026 191 HB3 LYS 28 HB3 LYS 28 26.212 -7.454 -1.558 192 HG2 LYS 28 HG2 LYS 28 23.637 -6.434 -2.527 193 HG3 LYS 28 HG3 LYS 28 23.560 -7.367 -1.030 194 HD2 LYS 28 HD2 LYS 28 25.701 -5.805 -0.518 195 HD3 LYS 28 HD3 LYS 28 24.771 -4.731 -1.567 196 HE2 LYS 28 HE2 LYS 28 23.836 -4.171 0.429 197 HE3 LYS 28 HE3 LYS 28 22.795 -5.532 0.016 198 HZ1 LYS 28 HZ1 LYS 28 24.569 -5.240 2.209 199 HZ2 LYS 28 HZ2 LYS 28 24.971 -6.617 1.313 200 HZ3 LYS 28 HZ3 LYS 28 23.406 -6.437 1.929 201 H ARG 29 H ARG 29 23.716 -6.139 -4.530 202 HA ARG 29 HA ARG 29 22.403 -8.492 -5.680 203 HB2 ARG 29 HB2 ARG 29 21.397 -5.720 -5.036 204 HB3 ARG 29 HB3 ARG 29 20.444 -6.909 -5.913 205 HG2 ARG 29 HG2 ARG 29 21.357 -8.223 -3.620 206 HG3 ARG 29 HG3 ARG 29 20.849 -6.619 -3.088 207 HD2 ARG 29 HD2 ARG 29 18.671 -7.006 -3.560 208 HD3 ARG 29 HD3 ARG 29 19.044 -7.989 -4.975 209 HE ARG 29 HE ARG 29 19.700 -9.258 -2.482 210 HH11 ARG 29 HH11 ARG 29 17.190 -8.666 -4.820 211 HH12 ARG 29 HH12 ARG 29 16.273 -10.071 -4.386 212 HH21 ARG 29 HH21 ARG 29 18.502 -11.110 -1.901 213 HH22 ARG 29 HH22 ARG 29 17.020 -11.460 -2.724 214 H ASN 30 H ASN 30 24.597 -6.367 -6.688 215 HA ASN 30 HA ASN 30 25.149 -5.339 -8.661 216 HB2 ASN 30 HB2 ASN 30 25.004 -6.826 -10.597 217 HB3 ASN 30 HB3 ASN 30 25.497 -7.726 -9.166 218 HD21 ASN 30 HD21 ASN 30 23.067 -7.260 -11.557 219 HD22 ASN 30 HD22 ASN 30 22.062 -8.591 -11.106 220 H LEU 31 H LEU 31 22.589 -4.522 -7.605 221 HA LEU 31 HA LEU 31 21.500 -3.366 -10.027 222 HB2 LEU 31 HB2 LEU 31 19.804 -5.038 -8.179 223 HB3 LEU 31 HB3 LEU 31 19.181 -4.004 -9.463 224 HG LEU 31 HG LEU 31 21.017 -6.342 -9.957 225 HD11 LEU 31 HD11 LEU 31 18.074 -6.208 -9.596 226 HD12 LEU 31 HD12 LEU 31 19.207 -7.503 -9.212 227 HD13 LEU 31 HD13 LEU 31 18.705 -7.239 -10.881 228 HD21 LEU 31 HD21 LEU 31 20.320 -4.222 -11.571 229 HD22 LEU 31 HD22 LEU 31 19.187 -5.486 -12.050 230 HD23 LEU 31 HD23 LEU 31 20.924 -5.787 -12.115 231 H LYS 32 H LYS 32 19.247 -2.194 -9.075 232 HA LYS 32 HA LYS 32 20.238 -0.566 -6.827 233 HB2 LYS 32 HB2 LYS 32 18.401 0.311 -9.062 234 HB3 LYS 32 HB3 LYS 32 19.043 1.328 -7.779 235 HG2 LYS 32 HG2 LYS 32 20.492 1.873 -9.435 236 HG3 LYS 32 HG3 LYS 32 21.350 0.484 -8.764 237 HD2 LYS 32 HD2 LYS 32 21.101 -0.695 -10.645 238 HD3 LYS 32 HD3 LYS 32 19.386 -0.291 -10.760 239 HE2 LYS 32 HE2 LYS 32 20.342 2.054 -11.490 240 HE3 LYS 32 HE3 LYS 32 21.754 1.092 -11.922 241 HZ1 LYS 32 HZ1 LYS 32 20.684 0.732 -13.826 242 HZ2 LYS 32 HZ2 LYS 32 19.201 1.272 -13.219 243 HZ3 LYS 32 HZ3 LYS 32 19.689 -0.326 -12.957 244 H ILE 33 H ILE 33 19.156 -0.996 -5.026 245 HA ILE 33 HA ILE 33 16.232 -1.242 -5.172 246 HB ILE 33 HB ILE 33 16.138 -3.091 -3.722 247 HG12 ILE 33 HG12 ILE 33 19.083 -2.615 -3.251 248 HG13 ILE 33 HG13 ILE 33 17.775 -2.502 -2.078 249 HG21 ILE 33 HG21 ILE 33 17.211 -4.821 -4.935 250 HG22 ILE 33 HG22 ILE 33 16.854 -3.542 -6.095 251 HG23 ILE 33 HG23 ILE 33 18.494 -3.739 -5.478 252 HD11 ILE 33 HD11 ILE 33 19.189 -4.875 -3.126 253 HD12 ILE 33 HD12 ILE 33 18.589 -4.530 -1.504 254 HD13 ILE 33 HD13 ILE 33 17.471 -5.048 -2.765 255 H CYS 34 H CYS 34 15.316 -1.183 -2.827 256 HA CYS 34 HA CYS 34 16.315 1.256 -1.636 257 HB2 CYS 34 HB2 CYS 34 13.897 -0.472 -1.130 258 HB3 CYS 34 HB3 CYS 34 14.306 0.889 -0.090 259 H VAL 35 H VAL 35 16.595 1.446 0.720 260 HA VAL 35 HA VAL 35 17.510 -1.032 2.004 261 HB VAL 35 HB VAL 35 19.078 1.551 1.974 262 HG11 VAL 35 HG11 VAL 35 19.378 0.541 4.094 263 HG12 VAL 35 HG12 VAL 35 19.519 -1.069 3.386 264 HG13 VAL 35 HG13 VAL 35 20.799 0.119 3.140 265 HG21 VAL 35 HG21 VAL 35 19.102 0.114 -0.123 266 HG22 VAL 35 HG22 VAL 35 20.667 0.483 0.602 267 HG23 VAL 35 HG23 VAL 35 19.933 -1.102 0.848 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.566 -1.900 -2.029 2 HA2 GLY 1 HA2 GLY 1 1.447 0.493 -2.102 3 HA3 GLY 1 HA3 GLY 1 1.634 0.076 -0.405 4 H CYS 2 H CYS 2 4.382 -0.751 -0.602 5 HA CYS 2 HA CYS 2 5.794 1.643 -1.492 6 HB2 CYS 2 HB2 CYS 2 6.955 1.835 0.709 7 HB3 CYS 2 HB3 CYS 2 5.238 2.215 0.785 8 H ILE 3 H ILE 3 8.154 1.373 -1.429 9 HA ILE 3 HA ILE 3 8.863 -1.356 -2.147 10 HB ILE 3 HB ILE 3 10.516 1.166 -2.326 11 HG12 ILE 3 HG12 ILE 3 9.667 -0.042 -4.830 12 HG13 ILE 3 HG13 ILE 3 8.291 0.424 -3.837 13 HG21 ILE 3 HG21 ILE 3 11.833 -0.913 -2.188 14 HG22 ILE 3 HG22 ILE 3 10.964 -1.534 -3.591 15 HG23 ILE 3 HG23 ILE 3 11.995 -0.112 -3.751 16 HD11 ILE 3 HD11 ILE 3 9.495 2.076 -5.551 17 HD12 ILE 3 HD12 ILE 3 8.698 2.627 -4.077 18 HD13 ILE 3 HD13 ILE 3 10.448 2.416 -4.107 19 H ALA 4 H ALA 4 9.732 -2.700 -0.727 20 HA ALA 4 HA ALA 4 10.701 -1.773 1.818 21 HB1 ALA 4 HB1 ALA 4 9.795 -3.768 2.274 22 HB2 ALA 4 HB2 ALA 4 9.982 -4.340 0.615 23 HB3 ALA 4 HB3 ALA 4 11.342 -4.424 1.735 24 H LYS 5 H LYS 5 12.811 -2.672 2.678 25 HA LYS 5 HA LYS 5 14.936 -1.756 0.999 26 HB2 LYS 5 HB2 LYS 5 16.387 -2.435 2.917 27 HB3 LYS 5 HB3 LYS 5 15.087 -1.335 3.356 28 HG2 LYS 5 HG2 LYS 5 14.168 -2.806 4.755 29 HG3 LYS 5 HG3 LYS 5 14.348 -4.141 3.614 30 HD2 LYS 5 HD2 LYS 5 16.929 -3.371 4.569 31 HD3 LYS 5 HD3 LYS 5 15.855 -3.620 5.948 32 HE2 LYS 5 HE2 LYS 5 15.722 -5.838 5.599 33 HE3 LYS 5 HE3 LYS 5 15.648 -5.658 3.846 34 HZ1 LYS 5 HZ1 LYS 5 18.141 -5.032 4.143 35 HZ2 LYS 5 HZ2 LYS 5 17.673 -6.657 4.116 36 HZ3 LYS 5 HZ3 LYS 5 17.998 -5.894 5.591 37 H ASN 6 H ASN 6 14.334 -3.419 -0.704 38 HA ASN 6 HA ASN 6 16.347 -5.319 -0.939 39 HB2 ASN 6 HB2 ASN 6 15.419 -6.711 0.705 40 HB3 ASN 6 HB3 ASN 6 13.769 -6.373 0.192 41 HD21 ASN 6 HD21 ASN 6 12.981 -8.291 -0.355 42 HD22 ASN 6 HD22 ASN 6 13.696 -9.380 -1.490 43 H LYS 7 H LYS 7 13.172 -4.202 -1.801 44 HA LYS 7 HA LYS 7 13.200 -5.536 -4.378 45 HB2 LYS 7 HB2 LYS 7 11.261 -3.479 -3.306 46 HB3 LYS 7 HB3 LYS 7 11.033 -4.486 -4.730 47 HG2 LYS 7 HG2 LYS 7 11.574 -6.195 -2.533 48 HG3 LYS 7 HG3 LYS 7 10.338 -5.035 -2.038 49 HD2 LYS 7 HD2 LYS 7 8.884 -5.687 -3.767 50 HD3 LYS 7 HD3 LYS 7 10.167 -6.524 -4.643 51 HE2 LYS 7 HE2 LYS 7 9.245 -8.354 -3.702 52 HE3 LYS 7 HE3 LYS 7 10.221 -7.877 -2.315 53 HZ1 LYS 7 HZ1 LYS 7 8.257 -7.991 -1.261 54 HZ2 LYS 7 HZ2 LYS 7 7.345 -7.791 -2.671 55 HZ3 LYS 7 HZ3 LYS 7 8.015 -6.443 -1.899 56 H GLU 8 H GLU 8 13.378 -4.519 -6.374 57 HA GLU 8 HA GLU 8 15.248 -2.505 -6.652 58 HB2 GLU 8 HB2 GLU 8 14.800 -2.542 -8.943 59 HB3 GLU 8 HB3 GLU 8 14.316 -4.145 -8.407 60 HG2 GLU 8 HG2 GLU 8 11.975 -3.368 -8.316 61 HG3 GLU 8 HG3 GLU 8 12.496 -1.813 -8.961 62 H CYS 9 H CYS 9 15.099 -0.307 -7.301 63 HA CYS 9 HA CYS 9 12.540 1.042 -7.038 64 HB2 CYS 9 HB2 CYS 9 13.385 0.920 -4.719 65 HB3 CYS 9 HB3 CYS 9 14.864 1.730 -5.226 66 H ALA 10 H ALA 10 12.422 2.471 -8.627 67 HA ALA 10 HA ALA 10 14.885 3.422 -9.882 68 HB1 ALA 10 HB1 ALA 10 12.643 2.457 -11.010 69 HB2 ALA 10 HB2 ALA 10 12.282 4.183 -11.036 70 HB3 ALA 10 HB3 ALA 10 13.740 3.575 -11.820 71 H TRP 11 H TRP 11 15.328 5.609 -10.223 72 HA TRP 11 HA TRP 11 14.615 7.355 -8.130 73 HB2 TRP 11 HB2 TRP 11 16.131 7.621 -10.689 74 HB3 TRP 11 HB3 TRP 11 15.633 9.091 -9.855 75 HD1 TRP 11 HD1 TRP 11 16.429 6.345 -7.464 76 HE1 TRP 11 HE1 TRP 11 18.733 6.750 -6.390 77 HE3 TRP 11 HE3 TRP 11 18.104 10.085 -10.521 78 HZ2 TRP 11 HZ2 TRP 11 20.964 8.433 -6.785 79 HZ3 TRP 11 HZ3 TRP 11 20.334 11.039 -10.105 80 HH2 TRP 11 HH2 TRP 11 21.733 10.229 -8.275 81 H PHE 12 H PHE 12 12.985 6.516 -10.976 82 HA PHE 12 HA PHE 12 11.122 8.752 -10.583 83 HB2 PHE 12 HB2 PHE 12 12.759 8.808 -12.685 84 HB3 PHE 12 HB3 PHE 12 11.528 7.744 -13.356 85 HD1 PHE 12 HD1 PHE 12 12.045 11.068 -11.805 86 HD2 PHE 12 HD2 PHE 12 9.530 8.609 -14.201 87 HE1 PHE 12 HE1 PHE 12 10.666 13.028 -12.364 88 HE2 PHE 12 HE2 PHE 12 8.148 10.565 -14.765 89 HZ PHE 12 HZ PHE 12 8.716 12.778 -13.846 90 H SER 13 H SER 13 11.232 5.828 -9.862 91 HA SER 13 HA SER 13 9.454 4.338 -11.419 92 HB2 SER 13 HB2 SER 13 9.113 2.974 -9.361 93 HB3 SER 13 HB3 SER 13 10.814 3.280 -9.709 94 HG SER 13 HG SER 13 10.960 4.245 -7.859 95 H GLY 14 H GLY 14 8.890 6.983 -9.307 96 HA2 GLY 14 HA2 GLY 14 6.880 8.201 -9.225 97 HA3 GLY 14 HA3 GLY 14 6.029 6.798 -9.854 98 H GLU 15 H GLU 15 7.473 5.119 -7.778 99 HA GLU 15 HA GLU 15 5.591 5.699 -5.605 100 HB2 GLU 15 HB2 GLU 15 6.226 3.333 -4.881 101 HB3 GLU 15 HB3 GLU 15 5.284 3.492 -6.357 102 HG2 GLU 15 HG2 GLU 15 8.194 3.486 -6.733 103 HG3 GLU 15 HG3 GLU 15 7.510 1.984 -6.114 104 H TRP 16 H TRP 16 6.562 4.684 -3.422 105 HA TRP 16 HA TRP 16 9.297 5.701 -3.073 106 HB2 TRP 16 HB2 TRP 16 7.159 6.207 -1.014 107 HB3 TRP 16 HB3 TRP 16 8.738 6.971 -1.168 108 HD1 TRP 16 HD1 TRP 16 8.757 8.094 -4.015 109 HE1 TRP 16 HE1 TRP 16 7.097 9.909 -4.774 110 HE3 TRP 16 HE3 TRP 16 5.104 7.368 -0.514 111 HZ2 TRP 16 HZ2 TRP 16 4.574 10.902 -3.992 112 HZ3 TRP 16 HZ3 TRP 16 3.099 8.793 -0.588 113 HH2 TRP 16 HH2 TRP 16 2.842 10.523 -2.292 114 H CYS 17 H CYS 17 10.368 4.897 -1.133 115 HA CYS 17 HA CYS 17 9.819 2.106 -0.736 116 HB2 CYS 17 HB2 CYS 17 11.836 3.773 0.767 117 HB3 CYS 17 HB3 CYS 17 11.868 2.036 0.479 118 H CYS 18 H CYS 18 9.766 1.150 1.474 119 HA CYS 18 HA CYS 18 7.634 2.315 2.972 120 HB2 CYS 18 HB2 CYS 18 9.396 -0.028 3.717 121 HB3 CYS 18 HB3 CYS 18 7.823 0.360 4.404 122 H GLY 19 H GLY 19 7.814 2.458 5.430 123 HA2 GLY 19 HA2 GLY 19 8.630 3.655 7.213 124 HA3 GLY 19 HA3 GLY 19 10.170 2.913 6.805 125 H ALA 20 H ALA 20 11.777 4.193 6.141 126 HA ALA 20 HA ALA 20 11.206 6.737 4.858 127 HB1 ALA 20 HB1 ALA 20 11.210 7.049 7.400 128 HB2 ALA 20 HB2 ALA 20 12.950 6.776 7.299 129 HB3 ALA 20 HB3 ALA 20 12.218 8.130 6.437 130 H LEU 21 H LEU 21 12.435 4.339 3.942 131 HA LEU 21 HA LEU 21 15.289 4.966 3.834 132 HB2 LEU 21 HB2 LEU 21 13.937 2.619 2.542 133 HB3 LEU 21 HB3 LEU 21 15.631 2.795 2.995 134 HG LEU 21 HG LEU 21 13.532 2.783 5.122 135 HD11 LEU 21 HD11 LEU 21 13.031 0.619 4.936 136 HD12 LEU 21 HD12 LEU 21 14.700 0.173 4.586 137 HD13 LEU 21 HD13 LEU 21 13.648 0.737 3.288 138 HD21 LEU 21 HD21 LEU 21 16.251 3.063 5.143 139 HD22 LEU 21 HD22 LEU 21 16.053 1.340 5.464 140 HD23 LEU 21 HD23 LEU 21 15.271 2.527 6.509 141 H SER 22 H SER 22 16.404 4.968 1.768 142 HA SER 22 HA SER 22 14.710 6.070 -0.375 143 HB2 SER 22 HB2 SER 22 17.435 6.764 0.616 144 HB3 SER 22 HB3 SER 22 17.115 6.954 -1.108 145 HG SER 22 HG SER 22 16.160 8.740 -0.591 146 H CYS 23 H CYS 23 16.178 5.938 -2.550 147 HA CYS 23 HA CYS 23 16.563 3.060 -2.952 148 HB2 CYS 23 HB2 CYS 23 16.405 5.140 -5.126 149 HB3 CYS 23 HB3 CYS 23 16.102 3.410 -5.246 150 H LYS 24 H LYS 24 18.599 2.421 -2.691 151 HA LYS 24 HA LYS 24 20.736 4.070 -3.875 152 HB2 LYS 24 HB2 LYS 24 21.301 2.174 -1.633 153 HB3 LYS 24 HB3 LYS 24 22.154 3.641 -2.095 154 HG2 LYS 24 HG2 LYS 24 21.143 4.404 -0.221 155 HG3 LYS 24 HG3 LYS 24 19.853 4.749 -1.376 156 HD2 LYS 24 HD2 LYS 24 18.697 2.730 -0.774 157 HD3 LYS 24 HD3 LYS 24 20.042 2.213 0.246 158 HE2 LYS 24 HE2 LYS 24 18.570 4.784 0.740 159 HE3 LYS 24 HE3 LYS 24 18.004 3.249 1.396 160 HZ1 LYS 24 HZ1 LYS 24 19.352 3.705 3.092 161 HZ2 LYS 24 HZ2 LYS 24 20.194 4.902 2.243 162 HZ3 LYS 24 HZ3 LYS 24 20.627 3.277 2.065 163 H TYR 25 H TYR 25 22.705 2.785 -4.456 164 HA TYR 25 HA TYR 25 21.901 0.520 -6.045 165 HB2 TYR 25 HB2 TYR 25 23.463 2.132 -6.981 166 HB3 TYR 25 HB3 TYR 25 24.597 1.840 -5.667 167 HD1 TYR 25 HD2 TYR 25 25.905 -0.223 -5.587 168 HD2 TYR 25 HD1 TYR 25 23.235 0.562 -8.806 169 HE1 TYR 25 HE2 TYR 25 26.976 -2.004 -6.902 170 HE2 TYR 25 HE1 TYR 25 24.297 -1.219 -10.129 171 HH TYR 25 HH TYR 25 26.062 -2.614 -10.257 172 H SER 26 H SER 26 22.144 -1.569 -5.573 173 HA SER 26 HA SER 26 23.607 -2.262 -3.117 174 HB2 SER 26 HB2 SER 26 21.145 -3.326 -4.409 175 HB3 SER 26 HB3 SER 26 22.172 -4.477 -3.555 176 HG SER 26 HG SER 26 21.086 -2.084 -2.478 177 H ILE 27 H ILE 27 25.658 -2.601 -3.871 178 HA ILE 27 HA ILE 27 26.439 -3.786 -6.243 179 HB ILE 27 HB ILE 27 27.938 -4.197 -3.665 180 HG12 ILE 27 HG12 ILE 27 28.960 -1.900 -4.824 181 HG13 ILE 27 HG13 ILE 27 27.221 -1.703 -5.010 182 HG21 ILE 27 HG21 ILE 27 28.997 -5.332 -5.421 183 HG22 ILE 27 HG22 ILE 27 28.690 -4.027 -6.566 184 HG23 ILE 27 HG23 ILE 27 29.877 -3.811 -5.279 185 HD11 ILE 27 HD11 ILE 27 27.379 -0.805 -2.963 186 HD12 ILE 27 HD12 ILE 27 27.350 -2.488 -2.437 187 HD13 ILE 27 HD13 ILE 27 28.888 -1.640 -2.597 188 H LYS 28 H LYS 28 25.870 -5.345 -3.099 189 HA LYS 28 HA LYS 28 26.543 -7.951 -3.822 190 HB2 LYS 28 HB2 LYS 28 25.040 -8.637 -1.944 191 HB3 LYS 28 HB3 LYS 28 26.212 -7.400 -1.511 192 HG2 LYS 28 HG2 LYS 28 23.620 -6.375 -2.426 193 HG3 LYS 28 HG3 LYS 28 23.575 -7.295 -0.921 194 HD2 LYS 28 HD2 LYS 28 25.717 -5.753 -0.437 195 HD3 LYS 28 HD3 LYS 28 24.826 -4.681 -1.520 196 HE2 LYS 28 HE2 LYS 28 22.839 -4.931 -0.077 197 HE3 LYS 28 HE3 LYS 28 23.786 -5.934 1.021 198 HZ1 LYS 28 HZ1 LYS 28 24.656 -4.141 1.964 199 HZ2 LYS 28 HZ2 LYS 28 23.539 -3.206 1.105 200 HZ3 LYS 28 HZ3 LYS 28 25.088 -3.460 0.476 201 H ARG 29 H ARG 29 23.653 -6.096 -4.435 202 HA ARG 29 HA ARG 29 22.298 -8.452 -5.528 203 HB2 ARG 29 HB2 ARG 29 21.295 -5.647 -5.012 204 HB3 ARG 29 HB3 ARG 29 20.325 -6.946 -5.692 205 HG2 ARG 29 HG2 ARG 29 21.512 -7.882 -3.285 206 HG3 ARG 29 HG3 ARG 29 20.763 -6.314 -2.975 207 HD2 ARG 29 HD2 ARG 29 18.666 -7.091 -3.348 208 HD3 ARG 29 HD3 ARG 29 19.194 -8.228 -4.588 209 HE ARG 29 HE ARG 29 20.017 -8.937 -1.924 210 HH11 ARG 29 HH11 ARG 29 17.492 -9.170 -4.309 211 HH12 ARG 29 HH12 ARG 29 16.810 -10.614 -3.636 212 HH21 ARG 29 HH21 ARG 29 19.128 -10.838 -1.028 213 HH22 ARG 29 HH22 ARG 29 17.741 -11.561 -1.769 214 H ASN 30 H ASN 30 24.488 -6.356 -6.612 215 HA ASN 30 HA ASN 30 25.006 -5.362 -8.612 216 HB2 ASN 30 HB2 ASN 30 24.820 -6.883 -10.520 217 HB3 ASN 30 HB3 ASN 30 25.342 -7.756 -9.082 218 HD21 ASN 30 HD21 ASN 30 22.865 -7.334 -11.432 219 HD22 ASN 30 HD22 ASN 30 21.869 -8.656 -10.936 220 H LEU 31 H LEU 31 22.469 -4.518 -7.526 221 HA LEU 31 HA LEU 31 21.338 -3.405 -9.948 222 HB2 LEU 31 HB2 LEU 31 19.674 -5.038 -8.037 223 HB3 LEU 31 HB3 LEU 31 19.028 -4.023 -9.325 224 HG LEU 31 HG LEU 31 20.847 -6.375 -9.818 225 HD11 LEU 31 HD11 LEU 31 18.509 -7.276 -10.678 226 HD12 LEU 31 HD12 LEU 31 17.914 -6.229 -9.391 227 HD13 LEU 31 HD13 LEU 31 19.053 -7.522 -9.018 228 HD21 LEU 31 HD21 LEU 31 20.274 -4.320 -11.465 229 HD22 LEU 31 HD22 LEU 31 18.932 -5.402 -11.836 230 HD23 LEU 31 HD23 LEU 31 20.594 -5.963 -12.020 231 H LYS 32 H LYS 32 19.100 -2.216 -8.968 232 HA LYS 32 HA LYS 32 20.137 -0.550 -6.768 233 HB2 LYS 32 HB2 LYS 32 18.332 0.269 -9.052 234 HB3 LYS 32 HB3 LYS 32 18.859 1.318 -7.742 235 HG2 LYS 32 HG2 LYS 32 20.361 1.912 -9.339 236 HG3 LYS 32 HG3 LYS 32 21.250 0.588 -8.583 237 HD2 LYS 32 HD2 LYS 32 20.960 -0.805 -10.366 238 HD3 LYS 32 HD3 LYS 32 19.406 -0.093 -10.808 239 HE2 LYS 32 HE2 LYS 32 21.152 1.981 -11.220 240 HE3 LYS 32 HE3 LYS 32 22.108 0.579 -11.699 241 HZ1 LYS 32 HZ1 LYS 32 21.054 0.781 -13.637 242 HZ2 LYS 32 HZ2 LYS 32 19.852 1.789 -13.005 243 HZ3 LYS 32 HZ3 LYS 32 19.709 0.110 -12.860 244 H ILE 33 H ILE 33 19.077 -0.956 -4.947 245 HA ILE 33 HA ILE 33 16.149 -1.159 -5.046 246 HB ILE 33 HB ILE 33 16.042 -3.010 -3.604 247 HG12 ILE 33 HG12 ILE 33 18.998 -2.583 -3.156 248 HG13 ILE 33 HG13 ILE 33 17.702 -2.445 -1.973 249 HG21 ILE 33 HG21 ILE 33 18.392 -3.885 -5.212 250 HG22 ILE 33 HG22 ILE 33 16.855 -4.699 -4.928 251 HG23 ILE 33 HG23 ILE 33 16.937 -3.336 -6.043 252 HD11 ILE 33 HD11 ILE 33 19.152 -4.801 -2.916 253 HD12 ILE 33 HD12 ILE 33 18.337 -4.501 -1.381 254 HD13 ILE 33 HD13 ILE 33 17.406 -5.014 -2.788 255 H CYS 34 H CYS 34 15.260 -1.061 -2.703 256 HA CYS 34 HA CYS 34 16.322 1.353 -1.526 257 HB2 CYS 34 HB2 CYS 34 13.896 -0.345 -0.954 258 HB3 CYS 34 HB3 CYS 34 14.340 1.027 0.055 259 H VAL 35 H VAL 35 16.712 1.556 0.793 260 HA VAL 35 HA VAL 35 17.420 -0.901 2.197 261 HB VAL 35 HB VAL 35 19.438 1.321 1.885 262 HG11 VAL 35 HG11 VAL 35 20.602 0.303 3.482 263 HG12 VAL 35 HG12 VAL 35 19.190 -0.712 3.782 264 HG13 VAL 35 HG13 VAL 35 20.451 -1.258 2.675 265 HG21 VAL 35 HG21 VAL 35 19.383 -1.375 0.533 266 HG22 VAL 35 HG22 VAL 35 19.105 0.178 -0.254 267 HG23 VAL 35 HG23 VAL 35 20.687 -0.192 0.433 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.424 -2.083 -0.371 2 HA2 GLY 1 HA2 GLY 1 1.846 -0.630 -2.135 3 HA3 GLY 1 HA3 GLY 1 1.051 0.486 -1.034 4 H CYS 2 H CYS 2 4.248 -1.015 -0.742 5 HA CYS 2 HA CYS 2 5.605 1.433 -1.437 6 HB2 CYS 2 HB2 CYS 2 6.701 1.726 0.740 7 HB3 CYS 2 HB3 CYS 2 4.956 1.916 0.875 8 H ILE 3 H ILE 3 7.944 1.191 -1.437 9 HA ILE 3 HA ILE 3 8.698 -1.542 -2.092 10 HB ILE 3 HB ILE 3 10.347 0.975 -2.342 11 HG12 ILE 3 HG12 ILE 3 9.454 -0.089 -4.851 12 HG13 ILE 3 HG13 ILE 3 8.058 0.174 -3.811 13 HG21 ILE 3 HG21 ILE 3 11.541 -1.237 -2.277 14 HG22 ILE 3 HG22 ILE 3 10.691 -1.654 -3.764 15 HG23 ILE 3 HG23 ILE 3 11.799 -0.283 -3.738 16 HD11 ILE 3 HD11 ILE 3 8.115 2.319 -4.325 17 HD12 ILE 3 HD12 ILE 3 9.709 2.448 -3.580 18 HD13 ILE 3 HD13 ILE 3 9.565 2.068 -5.296 19 H ALA 4 H ALA 4 9.650 -2.832 -0.675 20 HA ALA 4 HA ALA 4 10.610 -1.835 1.845 21 HB1 ALA 4 HB1 ALA 4 9.786 -4.358 0.777 22 HB2 ALA 4 HB2 ALA 4 11.358 -4.531 1.559 23 HB3 ALA 4 HB3 ALA 4 9.993 -3.875 2.461 24 H LYS 5 H LYS 5 12.759 -2.517 2.701 25 HA LYS 5 HA LYS 5 14.822 -1.608 0.944 26 HB2 LYS 5 HB2 LYS 5 16.320 -2.089 2.889 27 HB3 LYS 5 HB3 LYS 5 14.971 -1.026 3.266 28 HG2 LYS 5 HG2 LYS 5 13.988 -3.547 3.818 29 HG3 LYS 5 HG3 LYS 5 15.664 -3.613 4.370 30 HD2 LYS 5 HD2 LYS 5 15.135 -1.343 5.492 31 HD3 LYS 5 HD3 LYS 5 13.446 -1.805 5.265 32 HE2 LYS 5 HE2 LYS 5 14.113 -2.491 7.456 33 HE3 LYS 5 HE3 LYS 5 13.948 -3.937 6.461 34 HZ1 LYS 5 HZ1 LYS 5 16.555 -3.214 6.149 35 HZ2 LYS 5 HZ2 LYS 5 15.982 -4.444 7.159 36 HZ3 LYS 5 HZ3 LYS 5 16.261 -2.897 7.785 37 H ASN 6 H ASN 6 14.272 -3.421 -0.632 38 HA ASN 6 HA ASN 6 16.389 -5.236 -0.739 39 HB2 ASN 6 HB2 ASN 6 14.756 -6.181 1.130 40 HB3 ASN 6 HB3 ASN 6 13.896 -6.809 -0.273 41 HD21 ASN 6 HD21 ASN 6 14.365 -8.926 0.361 42 HD22 ASN 6 HD22 ASN 6 15.937 -9.610 0.143 43 H LYS 7 H LYS 7 13.199 -4.277 -1.716 44 HA LYS 7 HA LYS 7 13.313 -5.758 -4.209 45 HB2 LYS 7 HB2 LYS 7 11.291 -3.677 -3.370 46 HB3 LYS 7 HB3 LYS 7 11.116 -4.880 -4.641 47 HG2 LYS 7 HG2 LYS 7 11.694 -6.231 -2.209 48 HG3 LYS 7 HG3 LYS 7 10.392 -5.076 -1.916 49 HD2 LYS 7 HD2 LYS 7 9.022 -6.043 -3.571 50 HD3 LYS 7 HD3 LYS 7 10.367 -6.951 -4.266 51 HE2 LYS 7 HE2 LYS 7 10.477 -8.075 -1.930 52 HE3 LYS 7 HE3 LYS 7 8.835 -7.462 -1.746 53 HZ1 LYS 7 HZ1 LYS 7 8.825 -9.708 -2.606 54 HZ2 LYS 7 HZ2 LYS 7 9.790 -9.249 -3.917 55 HZ3 LYS 7 HZ3 LYS 7 8.218 -8.642 -3.772 56 H GLU 8 H GLU 8 13.530 -4.867 -6.252 57 HA GLU 8 HA GLU 8 15.311 -2.762 -6.578 58 HB2 GLU 8 HB2 GLU 8 15.040 -3.035 -8.874 59 HB3 GLU 8 HB3 GLU 8 14.586 -4.610 -8.238 60 HG2 GLU 8 HG2 GLU 8 12.209 -3.922 -8.369 61 HG3 GLU 8 HG3 GLU 8 12.727 -2.424 -9.139 62 H CYS 9 H CYS 9 15.071 -0.631 -7.354 63 HA CYS 9 HA CYS 9 12.416 0.544 -7.416 64 HB2 CYS 9 HB2 CYS 9 12.975 2.278 -5.756 65 HB3 CYS 9 HB3 CYS 9 12.974 0.668 -5.043 66 H ALA 10 H ALA 10 12.394 2.699 -8.286 67 HA ALA 10 HA ALA 10 14.853 3.376 -9.765 68 HB1 ALA 10 HB1 ALA 10 12.476 4.398 -11.031 69 HB2 ALA 10 HB2 ALA 10 13.740 3.357 -11.688 70 HB3 ALA 10 HB3 ALA 10 12.375 2.649 -10.824 71 H TRP 11 H TRP 11 15.349 5.565 -10.036 72 HA TRP 11 HA TRP 11 14.665 7.251 -7.879 73 HB2 TRP 11 HB2 TRP 11 16.229 7.564 -10.403 74 HB3 TRP 11 HB3 TRP 11 15.763 9.016 -9.522 75 HD1 TRP 11 HD1 TRP 11 16.435 6.162 -7.223 76 HE1 TRP 11 HE1 TRP 11 18.734 6.453 -6.102 77 HE3 TRP 11 HE3 TRP 11 18.276 9.953 -10.118 78 HZ2 TRP 11 HZ2 TRP 11 21.024 8.075 -6.404 79 HZ3 TRP 11 HZ3 TRP 11 20.529 10.817 -9.636 80 HH2 TRP 11 HH2 TRP 11 21.873 9.897 -7.817 81 H PHE 12 H PHE 12 13.032 6.547 -10.749 82 HA PHE 12 HA PHE 12 11.225 8.814 -10.299 83 HB2 PHE 12 HB2 PHE 12 12.915 8.957 -12.354 84 HB3 PHE 12 HB3 PHE 12 11.682 7.957 -13.115 85 HD1 PHE 12 HD2 PHE 12 12.270 11.196 -11.435 86 HD2 PHE 12 HD1 PHE 12 9.670 8.886 -13.889 87 HE1 PHE 12 HE2 PHE 12 10.940 13.209 -11.915 88 HE2 PHE 12 HE1 PHE 12 8.336 10.896 -14.374 89 HZ PHE 12 HZ PHE 12 8.970 13.061 -13.386 90 H SER 13 H SER 13 11.200 5.907 -9.665 91 HA SER 13 HA SER 13 9.445 4.528 -11.374 92 HB2 SER 13 HB2 SER 13 9.018 3.073 -9.377 93 HB3 SER 13 HB3 SER 13 10.730 3.315 -9.727 94 HG SER 13 HG SER 13 10.216 5.234 -8.128 95 H GLY 14 H GLY 14 8.901 7.124 -9.243 96 HA2 GLY 14 HA2 GLY 14 6.901 8.360 -9.156 97 HA3 GLY 14 HA3 GLY 14 6.034 6.958 -9.765 98 H GLU 15 H GLU 15 7.457 5.267 -7.702 99 HA GLU 15 HA GLU 15 5.646 5.933 -5.488 100 HB2 GLU 15 HB2 GLU 15 6.151 3.523 -4.797 101 HB3 GLU 15 HB3 GLU 15 5.171 3.758 -6.237 102 HG2 GLU 15 HG2 GLU 15 7.016 3.265 -7.663 103 HG3 GLU 15 HG3 GLU 15 8.136 3.263 -6.301 104 H TRP 16 H TRP 16 6.596 4.868 -3.332 105 HA TRP 16 HA TRP 16 9.405 5.686 -3.054 106 HB2 TRP 16 HB2 TRP 16 7.344 6.336 -0.954 107 HB3 TRP 16 HB3 TRP 16 8.979 6.972 -1.117 108 HD1 TRP 16 HD1 TRP 16 9.037 8.084 -3.985 109 HE1 TRP 16 HE1 TRP 16 7.531 10.045 -4.702 110 HE3 TRP 16 HE3 TRP 16 5.429 7.696 -0.383 111 HZ2 TRP 16 HZ2 TRP 16 5.133 11.267 -3.852 112 HZ3 TRP 16 HZ3 TRP 16 3.563 9.300 -0.405 113 HH2 TRP 16 HH2 TRP 16 3.420 11.048 -2.104 114 H CYS 17 H CYS 17 10.460 4.814 -1.129 115 HA CYS 17 HA CYS 17 9.737 2.062 -0.728 116 HB2 CYS 17 HB2 CYS 17 11.882 3.529 0.792 117 HB3 CYS 17 HB3 CYS 17 11.815 1.824 0.360 118 H CYS 18 H CYS 18 9.549 1.078 1.416 119 HA CYS 18 HA CYS 18 7.531 2.287 2.955 120 HB2 CYS 18 HB2 CYS 18 9.374 0.026 3.757 121 HB3 CYS 18 HB3 CYS 18 7.823 0.414 4.494 122 H GLY 19 H GLY 19 7.723 2.578 5.389 123 HA2 GLY 19 HA2 GLY 19 8.525 3.881 7.103 124 HA3 GLY 19 HA3 GLY 19 10.080 3.159 6.719 125 H ALA 20 H ALA 20 11.645 4.435 5.947 126 HA ALA 20 HA ALA 20 10.993 6.899 4.554 127 HB1 ALA 20 HB1 ALA 20 12.423 8.258 6.081 128 HB2 ALA 20 HB2 ALA 20 10.918 7.692 6.808 129 HB3 ALA 20 HB3 ALA 20 12.441 6.891 7.196 130 H LEU 21 H LEU 21 12.261 4.504 3.719 131 HA LEU 21 HA LEU 21 15.101 5.180 3.553 132 HB2 LEU 21 HB2 LEU 21 13.829 2.763 2.325 133 HB3 LEU 21 HB3 LEU 21 15.493 2.988 2.860 134 HG LEU 21 HG LEU 21 13.300 3.012 4.884 135 HD11 LEU 21 HD11 LEU 21 13.601 0.888 3.105 136 HD12 LEU 21 HD12 LEU 21 12.752 0.875 4.650 137 HD13 LEU 21 HD13 LEU 21 14.445 0.389 4.570 138 HD21 LEU 21 HD21 LEU 21 15.114 3.250 6.152 139 HD22 LEU 21 HD22 LEU 21 16.194 2.868 4.811 140 HD23 LEU 21 HD23 LEU 21 15.488 1.569 5.774 141 H SER 22 H SER 22 16.195 5.204 1.502 142 HA SER 22 HA SER 22 14.445 6.107 -0.688 143 HB2 SER 22 HB2 SER 22 16.052 7.789 0.313 144 HB3 SER 22 HB3 SER 22 17.365 6.802 -0.328 145 HG SER 22 HG SER 22 16.389 8.661 -1.631 146 H CYS 23 H CYS 23 16.207 6.070 -2.773 147 HA CYS 23 HA CYS 23 16.517 3.196 -3.202 148 HB2 CYS 23 HB2 CYS 23 15.345 4.970 -4.792 149 HB3 CYS 23 HB3 CYS 23 16.993 5.189 -5.371 150 H LYS 24 H LYS 24 18.435 2.279 -2.967 151 HA LYS 24 HA LYS 24 20.845 3.872 -3.541 152 HB2 LYS 24 HB2 LYS 24 20.564 1.797 -1.360 153 HB3 LYS 24 HB3 LYS 24 22.003 2.743 -1.717 154 HG2 LYS 24 HG2 LYS 24 21.126 3.867 0.084 155 HG3 LYS 24 HG3 LYS 24 20.457 4.781 -1.271 156 HD2 LYS 24 HD2 LYS 24 18.334 4.017 -0.914 157 HD3 LYS 24 HD3 LYS 24 18.883 2.481 -0.240 158 HE2 LYS 24 HE2 LYS 24 17.858 3.816 1.494 159 HE3 LYS 24 HE3 LYS 24 19.586 3.662 1.805 160 HZ1 LYS 24 HZ1 LYS 24 19.311 5.934 0.280 161 HZ2 LYS 24 HZ2 LYS 24 19.639 5.860 1.937 162 HZ3 LYS 24 HZ3 LYS 24 18.043 6.010 1.397 163 H TYR 25 H TYR 25 22.654 2.712 -4.350 164 HA TYR 25 HA TYR 25 21.904 0.501 -6.038 165 HB2 TYR 25 HB2 TYR 25 23.376 2.218 -6.925 166 HB3 TYR 25 HB3 TYR 25 24.550 1.915 -5.649 167 HD1 TYR 25 HD2 TYR 25 25.932 -0.107 -5.685 168 HD2 TYR 25 HD1 TYR 25 23.193 0.746 -8.828 169 HE1 TYR 25 HE2 TYR 25 27.051 -1.775 -7.105 170 HE2 TYR 25 HE1 TYR 25 24.304 -0.921 -10.256 171 HH TYR 25 HH TYR 25 25.728 -2.767 -10.166 172 H SER 26 H SER 26 22.352 -1.605 -5.766 173 HA SER 26 HA SER 26 23.844 -2.364 -3.344 174 HB2 SER 26 HB2 SER 26 21.434 -3.485 -4.686 175 HB3 SER 26 HB3 SER 26 22.533 -4.625 -3.909 176 HG SER 26 HG SER 26 22.344 -3.023 -2.063 177 H ILE 27 H ILE 27 25.901 -2.636 -4.042 178 HA ILE 27 HA ILE 27 26.705 -3.628 -6.527 179 HB ILE 27 HB ILE 27 28.305 -4.019 -4.009 180 HG12 ILE 27 HG12 ILE 27 29.110 -1.597 -5.070 181 HG13 ILE 27 HG13 ILE 27 27.357 -1.528 -5.217 182 HG21 ILE 27 HG21 ILE 27 29.009 -3.540 -6.898 183 HG22 ILE 27 HG22 ILE 27 30.181 -3.501 -5.583 184 HG23 ILE 27 HG23 ILE 27 29.309 -4.991 -5.941 185 HD11 ILE 27 HD11 ILE 27 27.586 -2.416 -2.691 186 HD12 ILE 27 HD12 ILE 27 29.062 -1.459 -2.828 187 HD13 ILE 27 HD13 ILE 27 27.494 -0.712 -3.134 188 H LYS 28 H LYS 28 26.182 -5.301 -3.448 189 HA LYS 28 HA LYS 28 27.068 -7.840 -4.255 190 HB2 LYS 28 HB2 LYS 28 25.581 -8.661 -2.378 191 HB3 LYS 28 HB3 LYS 28 26.783 -7.457 -1.932 192 HG2 LYS 28 HG2 LYS 28 25.204 -6.142 -1.119 193 HG3 LYS 28 HG3 LYS 28 24.381 -6.120 -2.680 194 HD2 LYS 28 HD2 LYS 28 22.711 -7.113 -1.541 195 HD3 LYS 28 HD3 LYS 28 23.678 -8.573 -1.763 196 HE2 LYS 28 HE2 LYS 28 23.184 -8.559 0.520 197 HE3 LYS 28 HE3 LYS 28 24.823 -7.916 0.433 198 HZ1 LYS 28 HZ1 LYS 28 22.708 -5.941 0.293 199 HZ2 LYS 28 HZ2 LYS 28 24.165 -5.910 1.152 200 HZ3 LYS 28 HZ3 LYS 28 22.834 -6.750 1.774 201 H ARG 29 H ARG 29 23.962 -6.227 -4.583 202 HA ARG 29 HA ARG 29 22.773 -8.610 -5.778 203 HB2 ARG 29 HB2 ARG 29 21.567 -5.902 -5.180 204 HB3 ARG 29 HB3 ARG 29 20.686 -7.297 -5.788 205 HG2 ARG 29 HG2 ARG 29 22.148 -7.972 -3.400 206 HG3 ARG 29 HG3 ARG 29 21.092 -6.584 -3.130 207 HD2 ARG 29 HD2 ARG 29 20.285 -9.267 -4.245 208 HD3 ARG 29 HD3 ARG 29 19.913 -8.645 -2.638 209 HE ARG 29 HE ARG 29 18.838 -6.776 -4.244 210 HH11 ARG 29 HH11 ARG 29 18.601 -10.249 -4.194 211 HH12 ARG 29 HH12 ARG 29 16.997 -10.279 -4.849 212 HH21 ARG 29 HH21 ARG 29 16.727 -6.803 -5.107 213 HH22 ARG 29 HH22 ARG 29 15.932 -8.318 -5.368 214 H ASN 30 H ASN 30 24.773 -6.337 -6.859 215 HA ASN 30 HA ASN 30 25.139 -5.231 -8.836 216 HB2 ASN 30 HB2 ASN 30 24.972 -6.705 -10.800 217 HB3 ASN 30 HB3 ASN 30 25.669 -7.549 -9.420 218 HD21 ASN 30 HD21 ASN 30 24.893 -9.484 -9.026 219 HD22 ASN 30 HD22 ASN 30 23.343 -10.079 -9.504 220 H LEU 31 H LEU 31 22.633 -4.547 -7.660 221 HA LEU 31 HA LEU 31 21.297 -3.540 -10.029 222 HB2 LEU 31 HB2 LEU 31 19.876 -5.231 -7.980 223 HB3 LEU 31 HB3 LEU 31 19.065 -4.251 -9.199 224 HG LEU 31 HG LEU 31 20.967 -6.480 -9.893 225 HD11 LEU 31 HD11 LEU 31 19.350 -7.717 -8.841 226 HD12 LEU 31 HD12 LEU 31 18.672 -7.608 -10.465 227 HD13 LEU 31 HD13 LEU 31 18.073 -6.550 -9.187 228 HD21 LEU 31 HD21 LEU 31 18.797 -5.788 -11.712 229 HD22 LEU 31 HD22 LEU 31 20.520 -5.996 -12.028 230 HD23 LEU 31 HD23 LEU 31 19.914 -4.454 -11.421 231 H LYS 32 H LYS 32 19.072 -2.438 -8.929 232 HA LYS 32 HA LYS 32 20.128 -0.720 -6.779 233 HB2 LYS 32 HB2 LYS 32 18.303 0.107 -9.044 234 HB3 LYS 32 HB3 LYS 32 18.892 1.153 -7.759 235 HG2 LYS 32 HG2 LYS 32 20.344 1.697 -9.430 236 HG3 LYS 32 HG3 LYS 32 21.241 0.391 -8.651 237 HD2 LYS 32 HD2 LYS 32 20.979 -1.011 -10.407 238 HD3 LYS 32 HD3 LYS 32 19.351 -0.427 -10.764 239 HE2 LYS 32 HE2 LYS 32 21.785 1.245 -11.304 240 HE3 LYS 32 HE3 LYS 32 21.204 0.056 -12.469 241 HZ1 LYS 32 HZ1 LYS 32 19.027 1.598 -11.632 242 HZ2 LYS 32 HZ2 LYS 32 19.726 1.524 -13.170 243 HZ3 LYS 32 HZ3 LYS 32 20.276 2.662 -12.046 244 H ILE 33 H ILE 33 19.046 -1.044 -4.958 245 HA ILE 33 HA ILE 33 16.126 -1.332 -5.085 246 HB ILE 33 HB ILE 33 16.059 -3.110 -3.543 247 HG12 ILE 33 HG12 ILE 33 19.003 -2.584 -3.127 248 HG13 ILE 33 HG13 ILE 33 17.708 -2.440 -1.945 249 HG21 ILE 33 HG21 ILE 33 18.406 -4.124 -5.017 250 HG22 ILE 33 HG22 ILE 33 16.779 -4.786 -4.877 251 HG23 ILE 33 HG23 ILE 33 17.097 -3.457 -5.992 252 HD11 ILE 33 HD11 ILE 33 17.409 -4.998 -2.455 253 HD12 ILE 33 HD12 ILE 33 19.093 -4.859 -2.959 254 HD13 ILE 33 HD13 ILE 33 18.626 -4.424 -1.315 255 H CYS 34 H CYS 34 15.210 -1.170 -2.749 256 HA CYS 34 HA CYS 34 16.144 1.343 -1.687 257 HB2 CYS 34 HB2 CYS 34 13.830 -0.467 -1.007 258 HB3 CYS 34 HB3 CYS 34 14.197 0.980 -0.073 259 H VAL 35 H VAL 35 16.659 1.707 0.548 260 HA VAL 35 HA VAL 35 17.447 -0.629 2.112 261 HB VAL 35 HB VAL 35 19.385 1.598 1.467 262 HG11 VAL 35 HG11 VAL 35 19.624 0.749 3.746 263 HG12 VAL 35 HG12 VAL 35 19.743 -0.898 3.124 264 HG13 VAL 35 HG13 VAL 35 20.998 0.283 2.744 265 HG21 VAL 35 HG21 VAL 35 20.657 -0.056 0.252 266 HG22 VAL 35 HG22 VAL 35 19.487 -1.309 0.667 267 HG23 VAL 35 HG23 VAL 35 19.020 0.016 -0.400 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.501 0.470 0.300 2 HA2 GLY 1 HA2 GLY 1 2.052 -0.832 -1.720 3 HA3 GLY 1 HA3 GLY 1 1.166 0.676 -1.898 4 H CYS 2 H CYS 2 4.154 -0.708 -0.591 5 HA CYS 2 HA CYS 2 5.596 1.657 -1.488 6 HB2 CYS 2 HB2 CYS 2 6.765 1.884 0.696 7 HB3 CYS 2 HB3 CYS 2 5.048 2.262 0.790 8 H ILE 3 H ILE 3 7.943 1.345 -1.458 9 HA ILE 3 HA ILE 3 8.601 -1.412 -2.115 10 HB ILE 3 HB ILE 3 10.336 1.048 -2.355 11 HG12 ILE 3 HG12 ILE 3 9.438 0.016 -4.871 12 HG13 ILE 3 HG13 ILE 3 8.036 0.302 -3.845 13 HG21 ILE 3 HG21 ILE 3 10.604 -1.607 -3.749 14 HG22 ILE 3 HG22 ILE 3 11.746 -0.264 -3.757 15 HG23 ILE 3 HG23 ILE 3 11.475 -1.182 -2.276 16 HD11 ILE 3 HD11 ILE 3 8.140 2.437 -4.397 17 HD12 ILE 3 HD12 ILE 3 9.687 2.549 -3.558 18 HD13 ILE 3 HD13 ILE 3 9.643 2.175 -5.281 19 H ALA 4 H ALA 4 9.533 -2.740 -0.719 20 HA ALA 4 HA ALA 4 10.490 -1.796 1.822 21 HB1 ALA 4 HB1 ALA 4 10.475 -4.562 0.622 22 HB2 ALA 4 HB2 ALA 4 10.907 -4.180 2.289 23 HB3 ALA 4 HB3 ALA 4 9.268 -3.880 1.712 24 H LYS 5 H LYS 5 12.617 -2.474 2.690 25 HA LYS 5 HA LYS 5 14.709 -1.610 0.948 26 HB2 LYS 5 HB2 LYS 5 16.183 -2.096 2.907 27 HB3 LYS 5 HB3 LYS 5 14.838 -1.023 3.273 28 HG2 LYS 5 HG2 LYS 5 13.864 -2.497 4.674 29 HG3 LYS 5 HG3 LYS 5 14.363 -3.899 3.724 30 HD2 LYS 5 HD2 LYS 5 16.182 -4.215 4.982 31 HD3 LYS 5 HD3 LYS 5 16.623 -2.507 4.905 32 HE2 LYS 5 HE2 LYS 5 15.194 -1.979 6.736 33 HE3 LYS 5 HE3 LYS 5 14.460 -3.581 6.705 34 HZ1 LYS 5 HZ1 LYS 5 17.352 -3.400 7.117 35 HZ2 LYS 5 HZ2 LYS 5 16.244 -4.522 7.728 36 HZ3 LYS 5 HZ3 LYS 5 16.343 -2.975 8.406 37 H ASN 6 H ASN 6 14.203 -3.393 -0.645 38 HA ASN 6 HA ASN 6 16.276 -5.243 -0.721 39 HB2 ASN 6 HB2 ASN 6 15.340 -6.550 0.991 40 HB3 ASN 6 HB3 ASN 6 13.697 -6.305 0.404 41 HD21 ASN 6 HD21 ASN 6 12.957 -8.238 -0.117 42 HD22 ASN 6 HD22 ASN 6 13.761 -9.389 -1.125 43 H LYS 7 H LYS 7 13.101 -4.259 -1.722 44 HA LYS 7 HA LYS 7 13.216 -5.751 -4.208 45 HB2 LYS 7 HB2 LYS 7 11.207 -3.648 -3.396 46 HB3 LYS 7 HB3 LYS 7 11.028 -4.863 -4.655 47 HG2 LYS 7 HG2 LYS 7 11.584 -6.186 -2.199 48 HG3 LYS 7 HG3 LYS 7 10.281 -5.024 -1.937 49 HD2 LYS 7 HD2 LYS 7 8.881 -6.054 -3.467 50 HD3 LYS 7 HD3 LYS 7 10.218 -6.824 -4.325 51 HE2 LYS 7 HE2 LYS 7 9.609 -7.554 -1.487 52 HE3 LYS 7 HE3 LYS 7 8.680 -8.259 -2.808 53 HZ1 LYS 7 HZ1 LYS 7 10.666 -9.167 -3.742 54 HZ2 LYS 7 HZ2 LYS 7 10.607 -9.613 -2.111 55 HZ3 LYS 7 HZ3 LYS 7 11.639 -8.370 -2.610 56 H GLU 8 H GLU 8 13.403 -4.852 -6.262 57 HA GLU 8 HA GLU 8 15.232 -2.794 -6.605 58 HB2 GLU 8 HB2 GLU 8 14.918 -3.046 -8.895 59 HB3 GLU 8 HB3 GLU 8 14.414 -4.608 -8.265 60 HG2 GLU 8 HG2 GLU 8 12.068 -3.864 -8.374 61 HG3 GLU 8 HG3 GLU 8 12.608 -2.346 -9.087 62 H CYS 9 H CYS 9 15.054 -0.644 -7.298 63 HA CYS 9 HA CYS 9 12.439 0.612 -7.366 64 HB2 CYS 9 HB2 CYS 9 12.776 2.115 -5.570 65 HB3 CYS 9 HB3 CYS 9 13.215 0.531 -4.937 66 H ALA 10 H ALA 10 12.460 2.710 -8.277 67 HA ALA 10 HA ALA 10 14.995 3.416 -9.608 68 HB1 ALA 10 HB1 ALA 10 12.835 2.548 -10.921 69 HB2 ALA 10 HB2 ALA 10 12.452 4.268 -10.851 70 HB3 ALA 10 HB3 ALA 10 13.957 3.729 -11.596 71 H TRP 11 H TRP 11 15.485 5.615 -9.858 72 HA TRP 11 HA TRP 11 14.700 7.280 -7.716 73 HB2 TRP 11 HB2 TRP 11 16.367 7.629 -10.172 74 HB3 TRP 11 HB3 TRP 11 15.867 9.064 -9.281 75 HD1 TRP 11 HD1 TRP 11 16.464 6.147 -7.032 76 HE1 TRP 11 HE1 TRP 11 18.712 6.422 -5.810 77 HE3 TRP 11 HE3 TRP 11 18.384 10.037 -9.735 78 HZ2 TRP 11 HZ2 TRP 11 20.997 8.072 -5.971 79 HZ3 TRP 11 HZ3 TRP 11 20.607 10.906 -9.137 80 HH2 TRP 11 HH2 TRP 11 21.885 9.942 -7.293 81 H PHE 12 H PHE 12 13.202 6.591 -10.663 82 HA PHE 12 HA PHE 12 11.363 8.842 -10.275 83 HB2 PHE 12 HB2 PHE 12 13.148 9.019 -12.247 84 HB3 PHE 12 HB3 PHE 12 11.957 8.022 -13.077 85 HD1 PHE 12 HD2 PHE 12 12.462 11.248 -11.348 86 HD2 PHE 12 HD1 PHE 12 9.965 8.947 -13.915 87 HE1 PHE 12 HE2 PHE 12 11.146 13.261 -11.866 88 HE2 PHE 12 HE1 PHE 12 8.645 10.957 -14.438 89 HZ PHE 12 HZ PHE 12 9.234 13.117 -13.412 90 H SER 13 H SER 13 11.319 5.935 -9.668 91 HA SER 13 HA SER 13 9.644 4.578 -11.483 92 HB2 SER 13 HB2 SER 13 9.135 3.104 -9.486 93 HB3 SER 13 HB3 SER 13 10.847 3.286 -9.870 94 HG SER 13 HG SER 13 10.802 3.675 -7.750 95 H GLY 14 H GLY 14 9.013 7.133 -9.342 96 HA2 GLY 14 HA2 GLY 14 6.997 8.345 -9.291 97 HA3 GLY 14 HA3 GLY 14 6.162 6.940 -9.935 98 H GLU 15 H GLU 15 7.578 5.262 -7.839 99 HA GLU 15 HA GLU 15 5.683 5.864 -5.678 100 HB2 GLU 15 HB2 GLU 15 6.238 3.468 -4.980 101 HB3 GLU 15 HB3 GLU 15 5.300 3.678 -6.452 102 HG2 GLU 15 HG2 GLU 15 7.205 3.248 -7.817 103 HG3 GLU 15 HG3 GLU 15 8.279 3.275 -6.420 104 H TRP 16 H TRP 16 6.591 4.835 -3.495 105 HA TRP 16 HA TRP 16 9.370 5.719 -3.129 106 HB2 TRP 16 HB2 TRP 16 7.239 6.333 -1.092 107 HB3 TRP 16 HB3 TRP 16 8.857 7.016 -1.227 108 HD1 TRP 16 HD1 TRP 16 8.959 8.123 -4.084 109 HE1 TRP 16 HE1 TRP 16 7.405 10.023 -4.860 110 HE3 TRP 16 HE3 TRP 16 5.250 7.610 -0.604 111 HZ2 TRP 16 HZ2 TRP 16 4.934 11.154 -4.098 112 HZ3 TRP 16 HZ3 TRP 16 3.326 9.141 -0.697 113 HH2 TRP 16 HH2 TRP 16 3.173 10.876 -2.408 114 H CYS 17 H CYS 17 10.380 4.881 -1.165 115 HA CYS 17 HA CYS 17 9.676 2.119 -0.758 116 HB2 CYS 17 HB2 CYS 17 11.799 3.616 0.763 117 HB3 CYS 17 HB3 CYS 17 11.743 1.904 0.357 118 H CYS 18 H CYS 18 9.460 1.158 1.391 119 HA CYS 18 HA CYS 18 7.433 2.394 2.901 120 HB2 CYS 18 HB2 CYS 18 9.243 0.096 3.674 121 HB3 CYS 18 HB3 CYS 18 7.738 0.527 4.478 122 H GLY 19 H GLY 19 7.608 2.682 5.340 123 HA2 GLY 19 HA2 GLY 19 8.408 3.980 7.058 124 HA3 GLY 19 HA3 GLY 19 9.960 3.245 6.687 125 H ALA 20 H ALA 20 11.542 4.510 5.932 126 HA ALA 20 HA ALA 20 10.919 6.978 4.532 127 HB1 ALA 20 HB1 ALA 20 10.883 7.997 6.594 128 HB2 ALA 20 HB2 ALA 20 12.077 6.895 7.280 129 HB3 ALA 20 HB3 ALA 20 12.586 8.159 6.161 130 H LEU 21 H LEU 21 12.216 4.499 3.819 131 HA LEU 21 HA LEU 21 15.047 5.156 3.644 132 HB2 LEU 21 HB2 LEU 21 13.734 2.785 2.368 133 HB3 LEU 21 HB3 LEU 21 15.400 2.965 2.913 134 HG LEU 21 HG LEU 21 13.193 3.006 4.924 135 HD11 LEU 21 HD11 LEU 21 12.613 0.882 4.657 136 HD12 LEU 21 HD12 LEU 21 14.299 0.369 4.591 137 HD13 LEU 21 HD13 LEU 21 13.480 0.898 3.121 138 HD21 LEU 21 HD21 LEU 21 15.365 1.514 5.797 139 HD22 LEU 21 HD22 LEU 21 14.990 3.184 6.223 140 HD23 LEU 21 HD23 LEU 21 16.080 2.840 4.879 141 H SER 22 H SER 22 16.176 5.224 1.625 142 HA SER 22 HA SER 22 14.480 6.177 -0.586 143 HB2 SER 22 HB2 SER 22 16.097 7.816 0.478 144 HB3 SER 22 HB3 SER 22 17.403 6.823 -0.169 145 HG SER 22 HG SER 22 17.139 7.974 -1.902 146 H CYS 23 H CYS 23 16.273 6.146 -2.641 147 HA CYS 23 HA CYS 23 16.524 3.281 -3.130 148 HB2 CYS 23 HB2 CYS 23 16.438 5.718 -4.872 149 HB3 CYS 23 HB3 CYS 23 17.127 4.225 -5.501 150 H LYS 24 H LYS 24 18.398 2.264 -2.947 151 HA LYS 24 HA LYS 24 20.885 3.792 -3.332 152 HB2 LYS 24 HB2 LYS 24 20.407 1.662 -1.239 153 HB3 LYS 24 HB3 LYS 24 21.928 2.498 -1.527 154 HG2 LYS 24 HG2 LYS 24 21.077 3.628 0.290 155 HG3 LYS 24 HG3 LYS 24 20.555 4.643 -1.058 156 HD2 LYS 24 HD2 LYS 24 18.355 4.045 -0.834 157 HD3 LYS 24 HD3 LYS 24 18.742 2.465 -0.148 158 HE2 LYS 24 HE2 LYS 24 17.759 3.845 1.561 159 HE3 LYS 24 HE3 LYS 24 19.464 3.595 1.933 160 HZ1 LYS 24 HZ1 LYS 24 19.718 5.778 1.997 161 HZ2 LYS 24 HZ2 LYS 24 18.094 6.018 1.592 162 HZ3 LYS 24 HZ3 LYS 24 19.260 5.899 0.373 163 H TYR 25 H TYR 25 22.558 2.737 -4.361 164 HA TYR 25 HA TYR 25 21.799 0.504 -6.005 165 HB2 TYR 25 HB2 TYR 25 23.166 2.269 -6.959 166 HB3 TYR 25 HB3 TYR 25 24.414 2.002 -5.747 167 HD1 TYR 25 HD2 TYR 25 25.853 0.020 -5.861 168 HD2 TYR 25 HD1 TYR 25 22.942 0.808 -8.863 169 HE1 TYR 25 HE2 TYR 25 26.953 -1.604 -7.346 170 HE2 TYR 25 HE1 TYR 25 24.034 -0.814 -10.355 171 HH TYR 25 HH TYR 25 25.662 -2.303 -10.582 172 H SER 26 H SER 26 22.153 -1.581 -5.626 173 HA SER 26 HA SER 26 23.873 -2.308 -3.356 174 HB2 SER 26 HB2 SER 26 21.391 -3.465 -4.523 175 HB3 SER 26 HB3 SER 26 22.555 -4.590 -3.822 176 HG SER 26 HG SER 26 22.251 -3.721 -1.870 177 H ILE 27 H ILE 27 25.878 -2.475 -4.266 178 HA ILE 27 HA ILE 27 26.551 -3.462 -6.761 179 HB ILE 27 HB ILE 27 28.262 -3.923 -4.327 180 HG12 ILE 27 HG12 ILE 27 29.050 -1.500 -5.406 181 HG13 ILE 27 HG13 ILE 27 27.293 -1.407 -5.457 182 HG21 ILE 27 HG21 ILE 27 28.784 -4.704 -6.777 183 HG22 ILE 27 HG22 ILE 27 29.250 -3.017 -6.986 184 HG23 ILE 27 HG23 ILE 27 30.048 -4.006 -5.763 185 HD11 ILE 27 HD11 ILE 27 29.125 -1.374 -3.166 186 HD12 ILE 27 HD12 ILE 27 27.540 -0.627 -3.372 187 HD13 ILE 27 HD13 ILE 27 27.663 -2.336 -2.954 188 H LYS 28 H LYS 28 26.303 -5.236 -3.691 189 HA LYS 28 HA LYS 28 27.091 -7.744 -4.607 190 HB2 LYS 28 HB2 LYS 28 25.638 -8.610 -2.707 191 HB3 LYS 28 HB3 LYS 28 26.891 -7.455 -2.271 192 HG2 LYS 28 HG2 LYS 28 25.402 -6.044 -1.433 193 HG3 LYS 28 HG3 LYS 28 24.422 -6.107 -2.900 194 HD2 LYS 28 HD2 LYS 28 23.041 -7.717 -2.072 195 HD3 LYS 28 HD3 LYS 28 24.312 -8.457 -1.095 196 HE2 LYS 28 HE2 LYS 28 23.700 -5.773 -0.202 197 HE3 LYS 28 HE3 LYS 28 22.266 -6.798 -0.203 198 HZ1 LYS 28 HZ1 LYS 28 23.905 -8.459 0.950 199 HZ2 LYS 28 HZ2 LYS 28 23.113 -7.263 1.845 200 HZ3 LYS 28 HZ3 LYS 28 24.723 -7.040 1.374 201 H ARG 29 H ARG 29 23.974 -6.129 -4.789 202 HA ARG 29 HA ARG 29 22.745 -8.481 -6.000 203 HB2 ARG 29 HB2 ARG 29 21.651 -5.810 -5.126 204 HB3 ARG 29 HB3 ARG 29 20.690 -6.985 -6.014 205 HG2 ARG 29 HG2 ARG 29 21.739 -8.469 -3.949 206 HG3 ARG 29 HG3 ARG 29 21.408 -6.904 -3.203 207 HD2 ARG 29 HD2 ARG 29 19.137 -7.030 -3.643 208 HD3 ARG 29 HD3 ARG 29 19.354 -8.196 -4.948 209 HE ARG 29 HE ARG 29 19.001 -8.770 -2.173 210 HH11 ARG 29 HH11 ARG 29 20.482 -9.900 -5.114 211 HH12 ARG 29 HH12 ARG 29 20.493 -11.562 -4.623 212 HH21 ARG 29 HH21 ARG 29 19.011 -10.954 -1.515 213 HH22 ARG 29 HH22 ARG 29 19.656 -12.160 -2.576 214 H ASN 30 H ASN 30 24.703 -6.159 -7.086 215 HA ASN 30 HA ASN 30 25.000 -5.006 -9.048 216 HB2 ASN 30 HB2 ASN 30 24.814 -6.447 -11.035 217 HB3 ASN 30 HB3 ASN 30 25.562 -7.301 -9.688 218 HD21 ASN 30 HD21 ASN 30 24.839 -9.261 -9.320 219 HD22 ASN 30 HD22 ASN 30 23.289 -9.878 -9.769 220 H LEU 31 H LEU 31 22.518 -4.378 -7.805 221 HA LEU 31 HA LEU 31 21.103 -3.367 -10.125 222 HB2 LEU 31 HB2 LEU 31 19.766 -5.108 -8.062 223 HB3 LEU 31 HB3 LEU 31 18.906 -4.124 -9.244 224 HG LEU 31 HG LEU 31 20.820 -6.316 -10.018 225 HD11 LEU 31 HD11 LEU 31 19.231 -7.569 -8.927 226 HD12 LEU 31 HD12 LEU 31 18.549 -7.482 -10.550 227 HD13 LEU 31 HD13 LEU 31 17.933 -6.429 -9.277 228 HD21 LEU 31 HD21 LEU 31 19.763 -6.162 -12.165 229 HD22 LEU 31 HD22 LEU 31 20.288 -4.548 -11.684 230 HD23 LEU 31 HD23 LEU 31 18.587 -4.998 -11.555 231 H LYS 32 H LYS 32 18.892 -2.313 -8.957 232 HA LYS 32 HA LYS 32 19.973 -0.607 -6.809 233 HB2 LYS 32 HB2 LYS 32 18.239 0.153 -9.161 234 HB3 LYS 32 HB3 LYS 32 18.484 1.199 -7.768 235 HG2 LYS 32 HG2 LYS 32 20.083 2.027 -9.150 236 HG3 LYS 32 HG3 LYS 32 21.026 0.774 -8.338 237 HD2 LYS 32 HD2 LYS 32 21.454 0.609 -10.685 238 HD3 LYS 32 HD3 LYS 32 20.450 -0.767 -10.222 239 HE2 LYS 32 HE2 LYS 32 18.605 1.167 -10.888 240 HE3 LYS 32 HE3 LYS 32 19.895 1.424 -12.061 241 HZ1 LYS 32 HZ1 LYS 32 18.143 -0.189 -12.751 242 HZ2 LYS 32 HZ2 LYS 32 18.683 -1.229 -11.532 243 HZ3 LYS 32 HZ3 LYS 32 19.718 -0.804 -12.801 244 H ILE 33 H ILE 33 18.942 -0.995 -4.971 245 HA ILE 33 HA ILE 33 16.022 -1.324 -5.039 246 HB ILE 33 HB ILE 33 16.011 -3.130 -3.551 247 HG12 ILE 33 HG12 ILE 33 18.919 -2.486 -3.058 248 HG13 ILE 33 HG13 ILE 33 17.590 -2.421 -1.906 249 HG21 ILE 33 HG21 ILE 33 16.964 -3.499 -5.957 250 HG22 ILE 33 HG22 ILE 33 18.444 -3.907 -5.091 251 HG23 ILE 33 HG23 ILE 33 16.965 -4.819 -4.788 252 HD11 ILE 33 HD11 ILE 33 19.026 -4.799 -2.998 253 HD12 ILE 33 HD12 ILE 33 18.697 -4.359 -1.322 254 HD13 ILE 33 HD13 ILE 33 17.393 -4.954 -2.350 255 H CYS 34 H CYS 34 15.112 -1.137 -2.733 256 HA CYS 34 HA CYS 34 16.067 1.357 -1.646 257 HB2 CYS 34 HB2 CYS 34 13.733 -0.435 -0.983 258 HB3 CYS 34 HB3 CYS 34 14.107 1.009 -0.049 259 H VAL 35 H VAL 35 16.570 1.699 0.595 260 HA VAL 35 HA VAL 35 17.337 -0.659 2.140 261 HB VAL 35 HB VAL 35 19.284 1.577 1.555 262 HG11 VAL 35 HG11 VAL 35 19.525 0.682 3.805 263 HG12 VAL 35 HG12 VAL 35 19.602 -0.959 3.159 264 HG13 VAL 35 HG13 VAL 35 20.885 0.195 2.795 265 HG21 VAL 35 HG21 VAL 35 20.547 -0.017 0.279 266 HG22 VAL 35 HG22 VAL 35 19.419 -1.309 0.689 267 HG23 VAL 35 HG23 VAL 35 18.900 0.019 -0.349 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.565 0.246 1.027 2 HA2 GLY 1 HA2 GLY 1 2.291 -1.579 -0.841 3 HA3 GLY 1 HA3 GLY 1 1.367 -0.414 -1.777 4 H CYS 2 H CYS 2 4.401 -1.224 -0.662 5 HA CYS 2 HA CYS 2 5.546 1.186 -1.731 6 HB2 CYS 2 HB2 CYS 2 6.857 1.687 0.359 7 HB3 CYS 2 HB3 CYS 2 5.137 2.047 0.463 8 H ILE 3 H ILE 3 7.994 1.103 -1.567 9 HA ILE 3 HA ILE 3 8.832 -1.613 -2.193 10 HB ILE 3 HB ILE 3 10.412 0.950 -2.419 11 HG12 ILE 3 HG12 ILE 3 9.602 -0.212 -4.930 12 HG13 ILE 3 HG13 ILE 3 8.188 0.101 -3.928 13 HG21 ILE 3 HG21 ILE 3 11.581 -1.343 -2.306 14 HG22 ILE 3 HG22 ILE 3 10.921 -1.590 -3.921 15 HG23 ILE 3 HG23 ILE 3 12.014 -0.242 -3.613 16 HD11 ILE 3 HD11 ILE 3 9.763 1.927 -5.444 17 HD12 ILE 3 HD12 ILE 3 8.270 2.217 -4.551 18 HD13 ILE 3 HD13 ILE 3 9.828 2.375 -3.740 19 H ALA 4 H ALA 4 9.724 -2.869 -0.709 20 HA ALA 4 HA ALA 4 10.640 -1.814 1.805 21 HB1 ALA 4 HB1 ALA 4 10.810 -4.039 2.528 22 HB2 ALA 4 HB2 ALA 4 9.421 -4.021 1.440 23 HB3 ALA 4 HB3 ALA 4 10.970 -4.652 0.881 24 H LYS 5 H LYS 5 12.773 -2.633 2.709 25 HA LYS 5 HA LYS 5 14.879 -1.690 1.018 26 HB2 LYS 5 HB2 LYS 5 16.338 -2.270 2.968 27 HB3 LYS 5 HB3 LYS 5 15.005 -1.190 3.359 28 HG2 LYS 5 HG2 LYS 5 13.949 -3.694 3.817 29 HG3 LYS 5 HG3 LYS 5 15.618 -3.838 4.375 30 HD2 LYS 5 HD2 LYS 5 15.352 -1.990 5.867 31 HD3 LYS 5 HD3 LYS 5 13.773 -1.595 5.184 32 HE2 LYS 5 HE2 LYS 5 12.751 -3.443 6.171 33 HE3 LYS 5 HE3 LYS 5 14.285 -4.273 6.427 34 HZ1 LYS 5 HZ1 LYS 5 14.835 -2.800 8.177 35 HZ2 LYS 5 HZ2 LYS 5 13.248 -3.309 8.464 36 HZ3 LYS 5 HZ3 LYS 5 13.540 -1.769 7.828 37 H ASN 6 H ASN 6 14.378 -3.407 -0.647 38 HA ASN 6 HA ASN 6 16.445 -5.257 -0.788 39 HB2 ASN 6 HB2 ASN 6 15.496 -6.616 0.882 40 HB3 ASN 6 HB3 ASN 6 13.860 -6.366 0.280 41 HD21 ASN 6 HD21 ASN 6 13.089 -8.200 -0.454 42 HD22 ASN 6 HD22 ASN 6 13.937 -9.345 -1.432 43 H LYS 7 H LYS 7 13.245 -4.279 -1.744 44 HA LYS 7 HA LYS 7 13.393 -5.653 -4.295 45 HB2 LYS 7 HB2 LYS 7 11.337 -3.636 -3.387 46 HB3 LYS 7 HB3 LYS 7 11.186 -4.793 -4.702 47 HG2 LYS 7 HG2 LYS 7 11.773 -6.218 -2.311 48 HG3 LYS 7 HG3 LYS 7 10.443 -5.102 -1.996 49 HD2 LYS 7 HD2 LYS 7 9.066 -6.094 -3.569 50 HD3 LYS 7 HD3 LYS 7 10.419 -6.782 -4.470 51 HE2 LYS 7 HE2 LYS 7 10.831 -8.211 -2.385 52 HE3 LYS 7 HE3 LYS 7 9.217 -7.715 -1.881 53 HZ1 LYS 7 HZ1 LYS 7 8.232 -8.930 -3.508 54 HZ2 LYS 7 HZ2 LYS 7 9.615 -9.879 -3.291 55 HZ3 LYS 7 HZ3 LYS 7 9.531 -8.789 -4.582 56 H GLU 8 H GLU 8 13.586 -4.668 -6.302 57 HA GLU 8 HA GLU 8 15.272 -2.405 -6.432 58 HB2 GLU 8 HB2 GLU 8 15.318 -2.737 -8.735 59 HB3 GLU 8 HB3 GLU 8 14.976 -4.347 -8.119 60 HG2 GLU 8 HG2 GLU 8 12.579 -3.971 -8.564 61 HG3 GLU 8 HG3 GLU 8 12.984 -2.407 -9.269 62 H CYS 9 H CYS 9 14.878 -0.324 -7.259 63 HA CYS 9 HA CYS 9 12.135 0.521 -7.696 64 HB2 CYS 9 HB2 CYS 9 12.328 2.356 -6.008 65 HB3 CYS 9 HB3 CYS 9 12.257 0.745 -5.301 66 H ALA 10 H ALA 10 11.967 2.345 -8.943 67 HA ALA 10 HA ALA 10 14.482 3.327 -10.081 68 HB1 ALA 10 HB1 ALA 10 12.431 2.398 -11.425 69 HB2 ALA 10 HB2 ALA 10 11.823 4.041 -11.219 70 HB3 ALA 10 HB3 ALA 10 13.363 3.767 -12.034 71 H TRP 11 H TRP 11 14.939 5.529 -10.275 72 HA TRP 11 HA TRP 11 14.188 7.149 -8.106 73 HB2 TRP 11 HB2 TRP 11 15.698 7.595 -10.647 74 HB3 TRP 11 HB3 TRP 11 15.203 8.996 -9.701 75 HD1 TRP 11 HD1 TRP 11 16.016 6.081 -7.528 76 HE1 TRP 11 HE1 TRP 11 18.327 6.405 -6.442 77 HE3 TRP 11 HE3 TRP 11 17.672 10.037 -10.310 78 HZ2 TRP 11 HZ2 TRP 11 20.557 8.113 -6.727 79 HZ3 TRP 11 HZ3 TRP 11 19.905 10.957 -9.840 80 HH2 TRP 11 HH2 TRP 11 21.316 10.014 -8.085 81 H PHE 12 H PHE 12 12.601 6.493 -11.037 82 HA PHE 12 HA PHE 12 10.702 8.670 -10.500 83 HB2 PHE 12 HB2 PHE 12 12.359 8.890 -12.576 84 HB3 PHE 12 HB3 PHE 12 11.145 7.863 -13.333 85 HD1 PHE 12 HD1 PHE 12 11.611 11.075 -11.547 86 HD2 PHE 12 HD2 PHE 12 9.146 8.764 -14.135 87 HE1 PHE 12 HE1 PHE 12 10.215 13.055 -11.980 88 HE2 PHE 12 HE2 PHE 12 7.748 10.740 -14.574 89 HZ PHE 12 HZ PHE 12 8.282 12.890 -13.496 90 H SER 13 H SER 13 10.752 5.778 -9.873 91 HA SER 13 HA SER 13 8.995 4.385 -11.596 92 HB2 SER 13 HB2 SER 13 8.751 2.796 -9.720 93 HB3 SER 13 HB3 SER 13 10.441 3.214 -10.004 94 HG SER 13 HG SER 13 10.421 4.505 -8.216 95 H GLY 14 H GLY 14 8.456 6.934 -9.452 96 HA2 GLY 14 HA2 GLY 14 6.405 8.074 -9.257 97 HA3 GLY 14 HA3 GLY 14 5.570 6.615 -9.768 98 H GLU 15 H GLU 15 7.136 4.997 -7.804 99 HA GLU 15 HA GLU 15 5.524 5.700 -5.452 100 HB2 GLU 15 HB2 GLU 15 6.042 3.295 -4.779 101 HB3 GLU 15 HB3 GLU 15 4.967 3.522 -6.152 102 HG2 GLU 15 HG2 GLU 15 6.689 2.974 -7.695 103 HG3 GLU 15 HG3 GLU 15 7.914 3.004 -6.428 104 H TRP 16 H TRP 16 6.584 4.820 -3.341 105 HA TRP 16 HA TRP 16 9.439 5.540 -3.327 106 HB2 TRP 16 HB2 TRP 16 7.318 6.411 -1.355 107 HB3 TRP 16 HB3 TRP 16 9.049 6.632 -1.111 108 HD1 TRP 16 HD1 TRP 16 6.644 7.479 -4.057 109 HE1 TRP 16 HE1 TRP 16 7.145 9.890 -4.805 110 HE3 TRP 16 HE3 TRP 16 10.358 8.606 -0.729 111 HZ2 TRP 16 HZ2 TRP 16 8.885 11.992 -4.080 112 HZ3 TRP 16 HZ3 TRP 16 11.389 10.839 -0.823 113 HH2 TRP 16 HH2 TRP 16 10.666 12.495 -2.465 114 H CYS 17 H CYS 17 10.460 4.886 -1.152 115 HA CYS 17 HA CYS 17 9.940 2.073 -0.794 116 HB2 CYS 17 HB2 CYS 17 11.909 3.722 0.782 117 HB3 CYS 17 HB3 CYS 17 11.971 2.000 0.423 118 H CYS 18 H CYS 18 9.802 1.113 1.396 119 HA CYS 18 HA CYS 18 7.642 2.271 2.844 120 HB2 CYS 18 HB2 CYS 18 9.421 -0.077 3.534 121 HB3 CYS 18 HB3 CYS 18 7.926 0.339 4.365 122 H GLY 19 H GLY 19 7.735 2.494 5.280 123 HA2 GLY 19 HA2 GLY 19 8.493 3.718 7.070 124 HA3 GLY 19 HA3 GLY 19 10.045 2.966 6.733 125 H ALA 20 H ALA 20 11.672 4.276 6.240 126 HA ALA 20 HA ALA 20 11.139 6.799 4.869 127 HB1 ALA 20 HB1 ALA 20 12.002 8.196 6.472 128 HB2 ALA 20 HB2 ALA 20 11.196 6.995 7.482 129 HB3 ALA 20 HB3 ALA 20 12.941 6.915 7.240 130 H LEU 21 H LEU 21 12.333 4.431 3.907 131 HA LEU 21 HA LEU 21 15.200 5.020 3.838 132 HB2 LEU 21 HB2 LEU 21 13.860 2.685 2.517 133 HB3 LEU 21 HB3 LEU 21 15.539 2.847 3.028 134 HG LEU 21 HG LEU 21 13.357 2.832 5.074 135 HD11 LEU 21 HD11 LEU 21 12.838 0.690 4.803 136 HD12 LEU 21 HD12 LEU 21 14.534 0.227 4.661 137 HD13 LEU 21 HD13 LEU 21 13.645 0.768 3.237 138 HD21 LEU 21 HD21 LEU 21 16.250 2.717 4.999 139 HD22 LEU 21 HD22 LEU 21 15.561 1.377 5.916 140 HD23 LEU 21 HD23 LEU 21 15.167 3.040 6.353 141 H SER 22 H SER 22 16.324 5.005 1.773 142 HA SER 22 HA SER 22 14.649 6.122 -0.377 143 HB2 SER 22 HB2 SER 22 17.372 6.801 0.631 144 HB3 SER 22 HB3 SER 22 17.065 6.990 -1.095 145 HG SER 22 HG SER 22 16.515 8.738 0.669 146 H CYS 23 H CYS 23 16.125 5.981 -2.544 147 HA CYS 23 HA CYS 23 16.508 3.101 -2.938 148 HB2 CYS 23 HB2 CYS 23 15.961 5.362 -4.862 149 HB3 CYS 23 HB3 CYS 23 16.393 3.740 -5.394 150 H LYS 24 H LYS 24 18.567 2.563 -2.522 151 HA LYS 24 HA LYS 24 20.691 4.194 -3.753 152 HB2 LYS 24 HB2 LYS 24 21.193 2.269 -1.508 153 HB3 LYS 24 HB3 LYS 24 22.129 3.679 -1.987 154 HG2 LYS 24 HG2 LYS 24 21.157 4.608 -0.192 155 HG3 LYS 24 HG3 LYS 24 19.808 4.861 -1.301 156 HD2 LYS 24 HD2 LYS 24 18.931 2.614 -0.550 157 HD3 LYS 24 HD3 LYS 24 20.158 2.653 0.718 158 HE2 LYS 24 HE2 LYS 24 18.166 4.871 0.319 159 HE3 LYS 24 HE3 LYS 24 17.835 3.475 1.342 160 HZ1 LYS 24 HZ1 LYS 24 19.398 5.783 1.904 161 HZ2 LYS 24 HZ2 LYS 24 20.309 4.375 2.123 162 HZ3 LYS 24 HZ3 LYS 24 18.852 4.577 2.958 163 H TYR 25 H TYR 25 22.646 2.955 -4.398 164 HA TYR 25 HA TYR 25 21.859 0.685 -5.987 165 HB2 TYR 25 HB2 TYR 25 23.366 2.325 -6.951 166 HB3 TYR 25 HB3 TYR 25 24.526 2.071 -5.652 167 HD1 TYR 25 HD2 TYR 25 25.914 0.070 -5.596 168 HD2 TYR 25 HD1 TYR 25 23.140 0.721 -8.755 169 HE1 TYR 25 HE2 TYR 25 27.019 -1.684 -6.920 170 HE2 TYR 25 HE1 TYR 25 24.235 -1.032 -10.088 171 HH TYR 25 HH TYR 25 25.644 -2.960 -9.791 172 H SER 26 H SER 26 22.218 -1.410 -5.586 173 HA SER 26 HA SER 26 23.711 -2.089 -3.142 174 HB2 SER 26 HB2 SER 26 21.265 -3.206 -4.418 175 HB3 SER 26 HB3 SER 26 22.337 -4.341 -3.597 176 HG SER 26 HG SER 26 22.117 -3.120 -1.715 177 H ILE 27 H ILE 27 25.761 -2.391 -3.889 178 HA ILE 27 HA ILE 27 26.556 -3.506 -6.296 179 HB ILE 27 HB ILE 27 28.085 -3.924 -3.738 180 HG12 ILE 27 HG12 ILE 27 29.036 -1.577 -4.854 181 HG13 ILE 27 HG13 ILE 27 27.291 -1.423 -5.025 182 HG21 ILE 27 HG21 ILE 27 29.016 -3.379 -6.553 183 HG22 ILE 27 HG22 ILE 27 30.027 -3.762 -5.160 184 HG23 ILE 27 HG23 ILE 27 28.926 -4.976 -5.810 185 HD11 ILE 27 HD11 ILE 27 28.970 -1.363 -2.621 186 HD12 ILE 27 HD12 ILE 27 27.432 -0.568 -2.961 187 HD13 ILE 27 HD13 ILE 27 27.460 -2.262 -2.470 188 H LYS 28 H LYS 28 26.007 -5.125 -3.183 189 HA LYS 28 HA LYS 28 26.767 -7.699 -3.912 190 HB2 LYS 28 HB2 LYS 28 25.164 -8.436 -2.105 191 HB3 LYS 28 HB3 LYS 28 26.361 -7.245 -1.614 192 HG2 LYS 28 HG2 LYS 28 24.741 -5.938 -0.874 193 HG3 LYS 28 HG3 LYS 28 24.089 -5.826 -2.511 194 HD2 LYS 28 HD2 LYS 28 22.271 -6.701 -1.443 195 HD3 LYS 28 HD3 LYS 28 23.094 -8.199 -1.882 196 HE2 LYS 28 HE2 LYS 28 23.532 -8.720 0.255 197 HE3 LYS 28 HE3 LYS 28 23.974 -7.063 0.666 198 HZ1 LYS 28 HZ1 LYS 28 21.151 -7.817 0.253 199 HZ2 LYS 28 HZ2 LYS 28 21.783 -6.507 1.116 200 HZ3 LYS 28 HZ3 LYS 28 21.904 -8.072 1.747 201 H ARG 29 H ARG 29 23.726 -6.000 -4.417 202 HA ARG 29 HA ARG 29 22.542 -8.361 -5.659 203 HB2 ARG 29 HB2 ARG 29 21.378 -5.624 -5.116 204 HB3 ARG 29 HB3 ARG 29 20.492 -6.987 -5.786 205 HG2 ARG 29 HG2 ARG 29 21.722 -7.861 -3.392 206 HG3 ARG 29 HG3 ARG 29 20.934 -6.316 -3.066 207 HD2 ARG 29 HD2 ARG 29 19.449 -8.252 -2.685 208 HD3 ARG 29 HD3 ARG 29 18.841 -7.153 -3.922 209 HE ARG 29 HE ARG 29 19.004 -8.850 -5.440 210 HH11 ARG 29 HH11 ARG 29 20.975 -9.624 -2.677 211 HH12 ARG 29 HH12 ARG 29 21.352 -11.222 -3.231 212 HH21 ARG 29 HH21 ARG 29 19.493 -10.951 -6.180 213 HH22 ARG 29 HH22 ARG 29 20.509 -11.976 -5.223 214 H ASN 30 H ASN 30 24.648 -6.145 -6.649 215 HA ASN 30 HA ASN 30 25.144 -5.063 -8.609 216 HB2 ASN 30 HB2 ASN 30 25.050 -6.531 -10.566 217 HB3 ASN 30 HB3 ASN 30 25.599 -7.421 -9.149 218 HD21 ASN 30 HD21 ASN 30 23.144 -7.064 -11.526 219 HD22 ASN 30 HD22 ASN 30 22.202 -8.441 -11.075 220 H LEU 31 H LEU 31 22.579 -4.338 -7.541 221 HA LEU 31 HA LEU 31 21.413 -3.241 -9.956 222 HB2 LEU 31 HB2 LEU 31 19.818 -4.952 -8.057 223 HB3 LEU 31 HB3 LEU 31 19.123 -3.937 -9.318 224 HG LEU 31 HG LEU 31 21.023 -6.203 -9.889 225 HD11 LEU 31 HD11 LEU 31 19.276 -7.399 -9.008 226 HD12 LEU 31 HD12 LEU 31 18.764 -7.253 -10.689 227 HD13 LEU 31 HD13 LEU 31 18.074 -6.191 -9.462 228 HD21 LEU 31 HD21 LEU 31 20.550 -4.248 -11.527 229 HD22 LEU 31 HD22 LEU 31 18.991 -5.042 -11.751 230 HD23 LEU 31 HD23 LEU 31 20.483 -5.908 -12.118 231 H LYS 32 H LYS 32 19.141 -2.129 -8.970 232 HA LYS 32 HA LYS 32 20.123 -0.444 -6.760 233 HB2 LYS 32 HB2 LYS 32 18.190 0.390 -8.926 234 HB3 LYS 32 HB3 LYS 32 18.941 1.422 -7.716 235 HG2 LYS 32 HG2 LYS 32 20.257 1.903 -9.505 236 HG3 LYS 32 HG3 LYS 32 21.158 0.541 -8.837 237 HD2 LYS 32 HD2 LYS 32 20.935 -0.525 -10.774 238 HD3 LYS 32 HD3 LYS 32 19.184 -0.532 -10.549 239 HE2 LYS 32 HE2 LYS 32 19.013 1.629 -11.645 240 HE3 LYS 32 HE3 LYS 32 20.767 1.707 -11.808 241 HZ1 LYS 32 HZ1 LYS 32 18.981 0.633 -13.608 242 HZ2 LYS 32 HZ2 LYS 32 19.754 -0.702 -12.914 243 HZ3 LYS 32 HZ3 LYS 32 20.668 0.512 -13.656 244 H ILE 33 H ILE 33 19.069 -0.843 -4.938 245 HA ILE 33 HA ILE 33 16.154 -1.178 -5.041 246 HB ILE 33 HB ILE 33 16.120 -3.017 -3.583 247 HG12 ILE 33 HG12 ILE 33 19.040 -2.422 -3.109 248 HG13 ILE 33 HG13 ILE 33 17.727 -2.400 -1.937 249 HG21 ILE 33 HG21 ILE 33 18.507 -3.691 -5.271 250 HG22 ILE 33 HG22 ILE 33 17.146 -4.716 -4.818 251 HG23 ILE 33 HG23 ILE 33 16.918 -3.412 -5.983 252 HD11 ILE 33 HD11 ILE 33 18.879 -4.358 -1.466 253 HD12 ILE 33 HD12 ILE 33 17.511 -4.903 -2.438 254 HD13 ILE 33 HD13 ILE 33 19.107 -4.748 -3.171 255 H CYS 34 H CYS 34 15.254 -1.092 -2.703 256 HA CYS 34 HA CYS 34 16.240 1.366 -1.537 257 HB2 CYS 34 HB2 CYS 34 13.835 -0.369 -0.979 258 HB3 CYS 34 HB3 CYS 34 14.231 1.044 -0.006 259 H VAL 35 H VAL 35 16.550 1.586 0.801 260 HA VAL 35 HA VAL 35 17.467 -0.880 2.111 261 HB VAL 35 HB VAL 35 19.009 1.719 2.065 262 HG11 VAL 35 HG11 VAL 35 19.207 0.622 4.212 263 HG12 VAL 35 HG12 VAL 35 19.600 -0.908 3.425 264 HG13 VAL 35 HG13 VAL 35 20.716 0.454 3.316 265 HG21 VAL 35 HG21 VAL 35 19.052 0.255 -0.016 266 HG22 VAL 35 HG22 VAL 35 20.611 0.656 0.706 267 HG23 VAL 35 HG23 VAL 35 19.900 -0.936 0.972 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.852 -1.057 -3.770 2 HA2 GLY 1 HA2 GLY 1 1.313 0.495 -2.108 3 HA3 GLY 1 HA3 GLY 1 1.945 -0.614 -0.900 4 H CYS 2 H CYS 2 4.266 -0.763 -0.648 5 HA CYS 2 HA CYS 2 5.725 1.577 -1.670 6 HB2 CYS 2 HB2 CYS 2 6.790 1.846 0.543 7 HB3 CYS 2 HB3 CYS 2 5.049 2.095 0.612 8 H ILE 3 H ILE 3 8.080 1.345 -1.558 9 HA ILE 3 HA ILE 3 8.855 -1.378 -2.233 10 HB ILE 3 HB ILE 3 10.530 1.130 -2.367 11 HG12 ILE 3 HG12 ILE 3 9.747 0.204 -4.942 12 HG13 ILE 3 HG13 ILE 3 8.293 0.340 -3.960 13 HG21 ILE 3 HG21 ILE 3 12.019 -0.104 -3.731 14 HG22 ILE 3 HG22 ILE 3 11.677 -1.117 -2.329 15 HG23 ILE 3 HG23 ILE 3 10.889 -1.450 -3.871 16 HD11 ILE 3 HD11 ILE 3 10.008 2.639 -3.637 17 HD12 ILE 3 HD12 ILE 3 9.570 2.374 -5.325 18 HD13 ILE 3 HD13 ILE 3 8.310 2.549 -4.104 19 H ALA 4 H ALA 4 9.641 -2.686 -0.733 20 HA ALA 4 HA ALA 4 10.577 -1.704 1.800 21 HB1 ALA 4 HB1 ALA 4 9.306 -3.923 1.212 22 HB2 ALA 4 HB2 ALA 4 10.940 -4.543 0.973 23 HB3 ALA 4 HB3 ALA 4 10.472 -3.874 2.535 24 H LYS 5 H LYS 5 12.664 -2.598 2.721 25 HA LYS 5 HA LYS 5 14.826 -1.731 1.064 26 HB2 LYS 5 HB2 LYS 5 16.234 -2.401 3.030 27 HB3 LYS 5 HB3 LYS 5 14.956 -1.251 3.403 28 HG2 LYS 5 HG2 LYS 5 13.966 -3.908 3.755 29 HG3 LYS 5 HG3 LYS 5 15.484 -3.720 4.636 30 HD2 LYS 5 HD2 LYS 5 13.416 -1.580 4.839 31 HD3 LYS 5 HD3 LYS 5 13.192 -3.077 5.747 32 HE2 LYS 5 HE2 LYS 5 15.682 -1.383 5.865 33 HE3 LYS 5 HE3 LYS 5 14.347 -1.252 7.008 34 HZ1 LYS 5 HZ1 LYS 5 16.235 -3.485 6.626 35 HZ2 LYS 5 HZ2 LYS 5 14.727 -3.749 7.345 36 HZ3 LYS 5 HZ3 LYS 5 15.824 -2.673 8.053 37 H ASN 6 H ASN 6 14.233 -3.436 -0.609 38 HA ASN 6 HA ASN 6 16.243 -5.343 -0.777 39 HB2 ASN 6 HB2 ASN 6 15.297 -6.684 0.903 40 HB3 ASN 6 HB3 ASN 6 13.653 -6.373 0.353 41 HD21 ASN 6 HD21 ASN 6 12.853 -8.268 -0.216 42 HD22 ASN 6 HD22 ASN 6 13.606 -9.403 -1.279 43 H LYS 7 H LYS 7 13.091 -4.226 -1.698 44 HA LYS 7 HA LYS 7 13.114 -5.643 -4.228 45 HB2 LYS 7 HB2 LYS 7 11.206 -3.534 -3.202 46 HB3 LYS 7 HB3 LYS 7 10.973 -4.525 -4.636 47 HG2 LYS 7 HG2 LYS 7 11.456 -6.245 -2.423 48 HG3 LYS 7 HG3 LYS 7 10.211 -5.077 -1.973 49 HD2 LYS 7 HD2 LYS 7 8.773 -5.771 -3.659 50 HD3 LYS 7 HD3 LYS 7 10.075 -6.490 -4.609 51 HE2 LYS 7 HE2 LYS 7 10.024 -7.815 -2.113 52 HE3 LYS 7 HE3 LYS 7 8.359 -7.719 -2.684 53 HZ1 LYS 7 HZ1 LYS 7 10.682 -8.965 -4.028 54 HZ2 LYS 7 HZ2 LYS 7 9.262 -8.587 -4.865 55 HZ3 LYS 7 HZ3 LYS 7 9.219 -9.686 -3.580 56 H GLU 8 H GLU 8 13.260 -4.671 -6.266 57 HA GLU 8 HA GLU 8 15.190 -2.707 -6.596 58 HB2 GLU 8 HB2 GLU 8 14.728 -2.788 -8.895 59 HB3 GLU 8 HB3 GLU 8 14.279 -4.383 -8.306 60 HG2 GLU 8 HG2 GLU 8 11.917 -3.604 -8.199 61 HG3 GLU 8 HG3 GLU 8 12.432 -2.105 -8.972 62 H CYS 9 H CYS 9 15.046 -0.537 -7.405 63 HA CYS 9 HA CYS 9 12.510 0.851 -7.132 64 HB2 CYS 9 HB2 CYS 9 13.407 2.506 -5.541 65 HB3 CYS 9 HB3 CYS 9 13.359 0.890 -4.843 66 H ALA 10 H ALA 10 12.404 2.731 -8.306 67 HA ALA 10 HA ALA 10 14.813 3.404 -9.868 68 HB1 ALA 10 HB1 ALA 10 12.377 4.341 -11.081 69 HB2 ALA 10 HB2 ALA 10 13.617 3.270 -11.735 70 HB3 ALA 10 HB3 ALA 10 12.295 2.606 -10.775 71 H TRP 11 H TRP 11 15.369 5.542 -10.143 72 HA TRP 11 HA TRP 11 14.697 7.338 -8.090 73 HB2 TRP 11 HB2 TRP 11 16.216 7.544 -10.657 74 HB3 TRP 11 HB3 TRP 11 15.789 9.025 -9.803 75 HD1 TRP 11 HD1 TRP 11 16.484 6.216 -7.452 76 HE1 TRP 11 HE1 TRP 11 18.811 6.508 -6.391 77 HE3 TRP 11 HE3 TRP 11 18.294 9.921 -10.474 78 HZ2 TRP 11 HZ2 TRP 11 21.109 8.099 -6.783 79 HZ3 TRP 11 HZ3 TRP 11 20.566 10.773 -10.064 80 HH2 TRP 11 HH2 TRP 11 21.942 9.880 -8.256 81 H PHE 12 H PHE 12 13.072 6.549 -10.964 82 HA PHE 12 HA PHE 12 11.294 8.862 -10.603 83 HB2 PHE 12 HB2 PHE 12 12.921 8.776 -12.714 84 HB3 PHE 12 HB3 PHE 12 11.635 7.754 -13.346 85 HD1 PHE 12 HD1 PHE 12 12.297 11.088 -11.863 86 HD2 PHE 12 HD2 PHE 12 9.702 8.696 -14.241 87 HE1 PHE 12 HE1 PHE 12 11.012 13.095 -12.473 88 HE2 PHE 12 HE2 PHE 12 8.413 10.699 -14.856 89 HZ PHE 12 HZ PHE 12 9.068 12.903 -13.973 90 H SER 13 H SER 13 11.303 5.926 -9.837 91 HA SER 13 HA SER 13 9.437 4.491 -11.329 92 HB2 SER 13 HB2 SER 13 9.354 2.987 -9.545 93 HB3 SER 13 HB3 SER 13 10.922 3.760 -9.314 94 HG SER 13 HG SER 13 9.744 5.234 -7.866 95 H GLY 14 H GLY 14 9.010 7.187 -9.236 96 HA2 GLY 14 HA2 GLY 14 7.062 8.503 -9.161 97 HA3 GLY 14 HA3 GLY 14 6.143 7.140 -9.783 98 H GLU 15 H GLU 15 7.539 5.424 -7.684 99 HA GLU 15 HA GLU 15 5.690 6.115 -5.509 100 HB2 GLU 15 HB2 GLU 15 6.153 3.714 -4.788 101 HB3 GLU 15 HB3 GLU 15 5.231 3.933 -6.268 102 HG2 GLU 15 HG2 GLU 15 7.088 3.375 -7.620 103 HG3 GLU 15 HG3 GLU 15 8.197 3.467 -6.252 104 H TRP 16 H TRP 16 6.630 4.984 -3.345 105 HA TRP 16 HA TRP 16 9.419 5.846 -3.016 106 HB2 TRP 16 HB2 TRP 16 7.382 6.429 -0.885 107 HB3 TRP 16 HB3 TRP 16 8.968 7.156 -1.131 108 HD1 TRP 16 HD1 TRP 16 8.904 8.347 -3.911 109 HE1 TRP 16 HE1 TRP 16 7.225 10.170 -4.606 110 HE3 TRP 16 HE3 TRP 16 5.311 7.535 -0.366 111 HZ2 TRP 16 HZ2 TRP 16 4.711 11.136 -3.762 112 HZ3 TRP 16 HZ3 TRP 16 3.300 8.952 -0.378 113 HH2 TRP 16 HH2 TRP 16 3.008 10.715 -2.042 114 H CYS 17 H CYS 17 10.498 4.917 -1.166 115 HA CYS 17 HA CYS 17 9.831 2.168 -0.802 116 HB2 CYS 17 HB2 CYS 17 11.855 3.732 0.799 117 HB3 CYS 17 HB3 CYS 17 11.847 2.005 0.457 118 H CYS 18 H CYS 18 9.714 1.156 1.388 119 HA CYS 18 HA CYS 18 7.559 2.305 2.854 120 HB2 CYS 18 HB2 CYS 18 9.311 -0.048 3.594 121 HB3 CYS 18 HB3 CYS 18 7.738 0.336 4.284 122 H GLY 19 H GLY 19 7.700 2.363 5.340 123 HA2 GLY 19 HA2 GLY 19 8.463 3.549 7.155 124 HA3 GLY 19 HA3 GLY 19 10.019 2.835 6.760 125 H ALA 20 H ALA 20 11.617 4.188 6.287 126 HA ALA 20 HA ALA 20 11.033 6.743 5.006 127 HB1 ALA 20 HB1 ALA 20 12.242 8.045 6.642 128 HB2 ALA 20 HB2 ALA 20 10.927 7.176 7.434 129 HB3 ALA 20 HB3 ALA 20 12.585 6.596 7.587 130 H LEU 21 H LEU 21 12.328 4.340 4.102 131 HA LEU 21 HA LEU 21 15.162 5.050 4.011 132 HB2 LEU 21 HB2 LEU 21 13.916 2.668 2.685 133 HB3 LEU 21 HB3 LEU 21 15.581 2.888 3.217 134 HG LEU 21 HG LEU 21 13.515 2.911 5.332 135 HD11 LEU 21 HD11 LEU 21 13.243 0.966 3.441 136 HD12 LEU 21 HD12 LEU 21 12.770 0.811 5.133 137 HD13 LEU 21 HD13 LEU 21 14.336 0.203 4.596 138 HD21 LEU 21 HD21 LEU 21 15.769 1.123 5.615 139 HD22 LEU 21 HD22 LEU 21 15.289 2.498 6.609 140 HD23 LEU 21 HD23 LEU 21 16.283 2.751 5.173 141 H SER 22 H SER 22 16.293 5.079 1.954 142 HA SER 22 HA SER 22 14.588 6.137 -0.202 143 HB2 SER 22 HB2 SER 22 17.267 6.912 0.833 144 HB3 SER 22 HB3 SER 22 17.011 7.046 -0.907 145 HG SER 22 HG SER 22 14.942 8.157 -0.123 146 H CYS 23 H CYS 23 16.193 6.062 -2.339 147 HA CYS 23 HA CYS 23 16.521 3.187 -2.788 148 HB2 CYS 23 HB2 CYS 23 15.041 4.473 -4.313 149 HB3 CYS 23 HB3 CYS 23 16.428 5.441 -4.803 150 H LYS 24 H LYS 24 18.474 2.313 -2.839 151 HA LYS 24 HA LYS 24 20.758 3.982 -3.645 152 HB2 LYS 24 HB2 LYS 24 21.013 1.908 -1.485 153 HB3 LYS 24 HB3 LYS 24 22.099 3.238 -1.867 154 HG2 LYS 24 HG2 LYS 24 21.119 4.066 0.008 155 HG3 LYS 24 HG3 LYS 24 19.998 4.688 -1.205 156 HD2 LYS 24 HD2 LYS 24 18.372 3.106 -0.693 157 HD3 LYS 24 HD3 LYS 24 19.534 2.016 0.067 158 HE2 LYS 24 HE2 LYS 24 17.942 3.306 1.596 159 HE3 LYS 24 HE3 LYS 24 19.655 3.312 2.009 160 HZ1 LYS 24 HZ1 LYS 24 19.888 5.496 1.403 161 HZ2 LYS 24 HZ2 LYS 24 18.310 5.514 2.011 162 HZ3 LYS 24 HZ3 LYS 24 18.572 5.475 0.340 163 H TYR 25 H TYR 25 22.617 2.752 -4.411 164 HA TYR 25 HA TYR 25 21.773 0.543 -6.062 165 HB2 TYR 25 HB2 TYR 25 23.262 2.228 -6.997 166 HB3 TYR 25 HB3 TYR 25 24.465 1.891 -5.757 167 HD1 TYR 25 HD2 TYR 25 25.805 -0.147 -5.844 168 HD2 TYR 25 HD1 TYR 25 22.956 0.736 -8.878 169 HE1 TYR 25 HE2 TYR 25 26.830 -1.849 -7.293 170 HE2 TYR 25 HE1 TYR 25 23.973 -0.965 -10.336 171 HH TYR 25 HH TYR 25 26.527 -3.087 -9.178 172 H SER 26 H SER 26 22.229 -1.571 -5.809 173 HA SER 26 HA SER 26 23.766 -2.333 -3.414 174 HB2 SER 26 HB2 SER 26 21.272 -3.401 -4.637 175 HB3 SER 26 HB3 SER 26 22.370 -4.566 -3.896 176 HG SER 26 HG SER 26 22.293 -3.197 -1.998 177 H ILE 27 H ILE 27 25.786 -2.650 -4.210 178 HA ILE 27 HA ILE 27 26.470 -3.696 -6.699 179 HB ILE 27 HB ILE 27 28.139 -4.130 -4.234 180 HG12 ILE 27 HG12 ILE 27 28.991 -1.744 -5.340 181 HG13 ILE 27 HG13 ILE 27 27.238 -1.615 -5.425 182 HG21 ILE 27 HG21 ILE 27 28.715 -5.015 -6.596 183 HG22 ILE 27 HG22 ILE 27 29.106 -3.333 -6.949 184 HG23 ILE 27 HG23 ILE 27 29.962 -4.186 -5.665 185 HD11 ILE 27 HD11 ILE 27 29.028 -1.606 -3.094 186 HD12 ILE 27 HD12 ILE 27 27.487 -0.788 -3.354 187 HD13 ILE 27 HD13 ILE 27 27.515 -2.492 -2.904 188 H LYS 28 H LYS 28 26.004 -5.341 -3.595 189 HA LYS 28 HA LYS 28 26.782 -7.908 -4.397 190 HB2 LYS 28 HB2 LYS 28 24.613 -7.315 -2.386 191 HB3 LYS 28 HB3 LYS 28 25.683 -8.710 -2.435 192 HG2 LYS 28 HG2 LYS 28 26.881 -7.612 -0.911 193 HG3 LYS 28 HG3 LYS 28 27.454 -6.637 -2.266 194 HD2 LYS 28 HD2 LYS 28 26.603 -4.853 -1.243 195 HD3 LYS 28 HD3 LYS 28 24.996 -5.522 -1.537 196 HE2 LYS 28 HE2 LYS 28 26.501 -6.562 0.796 197 HE3 LYS 28 HE3 LYS 28 25.883 -4.914 0.904 198 HZ1 LYS 28 HZ1 LYS 28 24.480 -7.206 1.403 199 HZ2 LYS 28 HZ2 LYS 28 23.929 -6.725 -0.121 200 HZ3 LYS 28 HZ3 LYS 28 23.825 -5.661 1.190 201 H ARG 29 H ARG 29 23.675 -6.249 -4.614 202 HA ARG 29 HA ARG 29 22.419 -8.589 -5.805 203 HB2 ARG 29 HB2 ARG 29 21.351 -5.848 -5.118 204 HB3 ARG 29 HB3 ARG 29 20.389 -7.118 -5.862 205 HG2 ARG 29 HG2 ARG 29 21.616 -8.247 -3.590 206 HG3 ARG 29 HG3 ARG 29 20.964 -6.679 -3.107 207 HD2 ARG 29 HD2 ARG 29 19.060 -7.853 -2.831 208 HD3 ARG 29 HD3 ARG 29 18.908 -7.622 -4.572 209 HE ARG 29 HE ARG 29 19.233 -9.866 -4.854 210 HH11 ARG 29 HH11 ARG 29 20.301 -8.963 -1.666 211 HH12 ARG 29 HH12 ARG 29 20.578 -10.595 -1.154 212 HH21 ARG 29 HH21 ARG 29 19.593 -12.019 -4.192 213 HH22 ARG 29 HH22 ARG 29 20.175 -12.333 -2.592 214 H ASN 30 H ASN 30 24.481 -6.415 -6.948 215 HA ASN 30 HA ASN 30 24.865 -5.354 -8.943 216 HB2 ASN 30 HB2 ASN 30 24.612 -6.828 -10.881 217 HB3 ASN 30 HB3 ASN 30 25.236 -7.723 -9.499 218 HD21 ASN 30 HD21 ASN 30 22.632 -7.324 -11.706 219 HD22 ASN 30 HD22 ASN 30 21.697 -8.680 -11.187 220 H LEU 31 H LEU 31 22.388 -4.580 -7.707 221 HA LEU 31 HA LEU 31 21.088 -3.461 -10.042 222 HB2 LEU 31 HB2 LEU 31 19.585 -5.145 -8.045 223 HB3 LEU 31 HB3 LEU 31 18.832 -4.121 -9.265 224 HG LEU 31 HG LEU 31 20.655 -6.423 -9.939 225 HD11 LEU 31 HD11 LEU 31 18.317 -7.414 -10.609 226 HD12 LEU 31 HD12 LEU 31 17.745 -6.356 -9.320 227 HD13 LEU 31 HD13 LEU 31 18.948 -7.598 -8.972 228 HD21 LEU 31 HD21 LEU 31 18.630 -5.694 -11.860 229 HD22 LEU 31 HD22 LEU 31 20.379 -5.807 -12.057 230 HD23 LEU 31 HD23 LEU 31 19.652 -4.314 -11.459 231 H LYS 32 H LYS 32 18.898 -2.320 -8.905 232 HA LYS 32 HA LYS 32 20.029 -0.683 -6.730 233 HB2 LYS 32 HB2 LYS 32 18.326 0.129 -9.082 234 HB3 LYS 32 HB3 LYS 32 18.536 1.154 -7.669 235 HG2 LYS 32 HG2 LYS 32 20.173 2.002 -8.992 236 HG3 LYS 32 HG3 LYS 32 21.093 0.730 -8.185 237 HD2 LYS 32 HD2 LYS 32 21.627 0.471 -10.446 238 HD3 LYS 32 HD3 LYS 32 20.392 -0.756 -10.156 239 HE2 LYS 32 HE2 LYS 32 18.706 0.608 -11.164 240 HE3 LYS 32 HE3 LYS 32 19.803 1.984 -11.263 241 HZ1 LYS 32 HZ1 LYS 32 19.555 0.865 -13.397 242 HZ2 LYS 32 HZ2 LYS 32 20.131 -0.578 -12.729 243 HZ3 LYS 32 HZ3 LYS 32 21.150 0.767 -12.843 244 H ILE 33 H ILE 33 19.009 -1.073 -4.885 245 HA ILE 33 HA ILE 33 16.081 -1.309 -4.921 246 HB ILE 33 HB ILE 33 16.027 -3.143 -3.470 247 HG12 ILE 33 HG12 ILE 33 18.966 -2.623 -3.006 248 HG13 ILE 33 HG13 ILE 33 17.656 -2.505 -1.836 249 HG21 ILE 33 HG21 ILE 33 18.408 -3.868 -5.144 250 HG22 ILE 33 HG22 ILE 33 17.029 -4.868 -4.689 251 HG23 ILE 33 HG23 ILE 33 16.827 -3.569 -5.865 252 HD11 ILE 33 HD11 ILE 33 17.367 -5.055 -2.425 253 HD12 ILE 33 HD12 ILE 33 19.064 -4.895 -2.876 254 HD13 ILE 33 HD13 ILE 33 18.547 -4.505 -1.236 255 H CYS 34 H CYS 34 15.186 -1.105 -2.627 256 HA CYS 34 HA CYS 34 16.280 1.310 -1.484 257 HB2 CYS 34 HB2 CYS 34 13.837 -0.347 -0.847 258 HB3 CYS 34 HB3 CYS 34 14.285 1.089 0.068 259 H VAL 35 H VAL 35 16.674 1.557 0.824 260 HA VAL 35 HA VAL 35 17.282 -0.862 2.321 261 HB VAL 35 HB VAL 35 19.435 1.205 1.864 262 HG11 VAL 35 HG11 VAL 35 19.532 0.045 4.020 263 HG12 VAL 35 HG12 VAL 35 19.520 -1.508 3.182 264 HG13 VAL 35 HG13 VAL 35 20.882 -0.406 2.979 265 HG21 VAL 35 HG21 VAL 35 20.567 -0.524 0.523 266 HG22 VAL 35 HG22 VAL 35 19.132 -1.541 0.648 267 HG23 VAL 35 HG23 VAL 35 19.049 0.000 -0.205 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.106 -0.890 -0.392 2 HA2 GLY 1 HA2 GLY 1 2.286 -1.883 -0.801 3 HA3 GLY 1 HA3 GLY 1 1.653 -1.308 -2.336 4 H CYS 2 H CYS 2 4.337 -1.368 -0.485 5 HA CYS 2 HA CYS 2 5.434 0.989 -1.839 6 HB2 CYS 2 HB2 CYS 2 6.737 1.523 0.240 7 HB3 CYS 2 HB3 CYS 2 5.003 1.794 0.379 8 H ILE 3 H ILE 3 7.902 0.994 -1.630 9 HA ILE 3 HA ILE 3 8.828 -1.671 -2.350 10 HB ILE 3 HB ILE 3 10.332 0.945 -2.469 11 HG12 ILE 3 HG12 ILE 3 9.650 -0.040 -5.047 12 HG13 ILE 3 HG13 ILE 3 8.178 -0.027 -4.081 13 HG21 ILE 3 HG21 ILE 3 11.658 -1.192 -2.409 14 HG22 ILE 3 HG22 ILE 3 10.895 -1.619 -3.940 15 HG23 ILE 3 HG23 ILE 3 11.914 -0.183 -3.833 16 HD11 ILE 3 HD11 ILE 3 9.062 2.080 -5.471 17 HD12 ILE 3 HD12 ILE 3 8.096 2.219 -4.002 18 HD13 ILE 3 HD13 ILE 3 9.849 2.392 -3.925 19 H ALA 4 H ALA 4 9.688 -2.950 -0.865 20 HA ALA 4 HA ALA 4 10.587 -1.941 1.672 21 HB1 ALA 4 HB1 ALA 4 11.209 -4.732 0.986 22 HB2 ALA 4 HB2 ALA 4 10.398 -4.061 2.402 23 HB3 ALA 4 HB3 ALA 4 9.503 -4.293 0.900 24 H LYS 5 H LYS 5 12.723 -2.738 2.572 25 HA LYS 5 HA LYS 5 14.828 -1.751 0.909 26 HB2 LYS 5 HB2 LYS 5 16.282 -2.288 2.844 27 HB3 LYS 5 HB3 LYS 5 14.884 -1.318 3.288 28 HG2 LYS 5 HG2 LYS 5 13.852 -3.711 3.774 29 HG3 LYS 5 HG3 LYS 5 15.557 -4.117 3.987 30 HD2 LYS 5 HD2 LYS 5 15.589 -3.141 5.985 31 HD3 LYS 5 HD3 LYS 5 14.962 -1.637 5.307 32 HE2 LYS 5 HE2 LYS 5 12.887 -2.041 6.046 33 HE3 LYS 5 HE3 LYS 5 12.946 -3.733 5.555 34 HZ1 LYS 5 HZ1 LYS 5 12.739 -3.311 8.005 35 HZ2 LYS 5 HZ2 LYS 5 14.323 -2.719 7.974 36 HZ3 LYS 5 HZ3 LYS 5 14.013 -4.328 7.554 37 H ASN 6 H ASN 6 14.286 -3.480 -0.768 38 HA ASN 6 HA ASN 6 16.395 -5.291 -0.952 39 HB2 ASN 6 HB2 ASN 6 15.327 -6.572 0.801 40 HB3 ASN 6 HB3 ASN 6 13.790 -6.541 -0.058 41 HD21 ASN 6 HD21 ASN 6 13.791 -8.831 0.063 42 HD22 ASN 6 HD22 ASN 6 14.736 -9.770 -1.037 43 H LYS 7 H LYS 7 13.184 -4.328 -1.877 44 HA LYS 7 HA LYS 7 13.320 -5.678 -4.441 45 HB2 LYS 7 HB2 LYS 7 11.264 -3.682 -3.485 46 HB3 LYS 7 HB3 LYS 7 11.107 -4.806 -4.828 47 HG2 LYS 7 HG2 LYS 7 11.712 -6.290 -2.478 48 HG3 LYS 7 HG3 LYS 7 10.382 -5.183 -2.126 49 HD2 LYS 7 HD2 LYS 7 9.016 -6.111 -3.772 50 HD3 LYS 7 HD3 LYS 7 10.376 -6.853 -4.616 51 HE2 LYS 7 HE2 LYS 7 9.788 -8.737 -3.567 52 HE3 LYS 7 HE3 LYS 7 10.500 -8.009 -2.128 53 HZ1 LYS 7 HZ1 LYS 7 8.513 -7.818 -1.183 54 HZ2 LYS 7 HZ2 LYS 7 7.915 -8.827 -2.402 55 HZ3 LYS 7 HZ3 LYS 7 7.809 -7.147 -2.568 56 H GLU 8 H GLU 8 13.514 -4.682 -6.437 57 HA GLU 8 HA GLU 8 15.274 -2.567 -6.691 58 HB2 GLU 8 HB2 GLU 8 14.859 -2.627 -9.005 59 HB3 GLU 8 HB3 GLU 8 14.544 -4.267 -8.454 60 HG2 GLU 8 HG2 GLU 8 12.123 -3.710 -8.381 61 HG3 GLU 8 HG3 GLU 8 12.510 -2.150 -9.106 62 H CYS 9 H CYS 9 14.979 -0.402 -7.499 63 HA CYS 9 HA CYS 9 12.342 0.788 -7.222 64 HB2 CYS 9 HB2 CYS 9 13.178 2.531 -5.651 65 HB3 CYS 9 HB3 CYS 9 13.137 0.919 -4.943 66 H ALA 10 H ALA 10 12.092 2.667 -8.380 67 HA ALA 10 HA ALA 10 14.422 3.493 -9.985 68 HB1 ALA 10 HB1 ALA 10 12.104 4.417 -11.250 69 HB2 ALA 10 HB2 ALA 10 13.146 3.086 -11.755 70 HB3 ALA 10 HB3 ALA 10 11.744 2.769 -10.734 71 H TRP 11 H TRP 11 14.873 5.658 -10.243 72 HA TRP 11 HA TRP 11 14.177 7.390 -8.138 73 HB2 TRP 11 HB2 TRP 11 15.632 7.702 -10.732 74 HB3 TRP 11 HB3 TRP 11 15.169 9.147 -9.838 75 HD1 TRP 11 HD1 TRP 11 16.022 6.320 -7.563 76 HE1 TRP 11 HE1 TRP 11 18.359 6.679 -6.547 77 HE3 TRP 11 HE3 TRP 11 17.623 10.152 -10.544 78 HZ2 TRP 11 HZ2 TRP 11 20.587 8.365 -6.955 79 HZ3 TRP 11 HZ3 TRP 11 19.869 11.082 -10.166 80 HH2 TRP 11 HH2 TRP 11 21.319 10.206 -8.407 81 H PHE 12 H PHE 12 12.515 6.568 -10.974 82 HA PHE 12 HA PHE 12 10.641 8.786 -10.531 83 HB2 PHE 12 HB2 PHE 12 12.250 8.871 -12.656 84 HB3 PHE 12 HB3 PHE 12 11.013 7.808 -13.320 85 HD1 PHE 12 HD1 PHE 12 11.556 11.125 -11.768 86 HD2 PHE 12 HD2 PHE 12 8.982 8.666 -14.102 87 HE1 PHE 12 HE1 PHE 12 10.161 13.084 -12.287 88 HE2 PHE 12 HE2 PHE 12 7.583 10.621 -14.625 89 HZ PHE 12 HZ PHE 12 8.172 12.834 -13.718 90 H SER 13 H SER 13 10.702 5.930 -9.741 91 HA SER 13 HA SER 13 8.897 4.448 -11.331 92 HB2 SER 13 HB2 SER 13 9.043 2.814 -9.708 93 HB3 SER 13 HB3 SER 13 10.507 3.730 -9.354 94 HG SER 13 HG SER 13 9.081 4.938 -7.843 95 H GLY 14 H GLY 14 8.422 7.111 -9.303 96 HA2 GLY 14 HA2 GLY 14 6.384 8.278 -9.125 97 HA3 GLY 14 HA3 GLY 14 5.529 6.804 -9.553 98 H GLU 15 H GLU 15 6.994 5.195 -7.581 99 HA GLU 15 HA GLU 15 5.540 6.111 -5.197 100 HB2 GLU 15 HB2 GLU 15 5.811 3.694 -4.468 101 HB3 GLU 15 HB3 GLU 15 4.747 3.978 -5.838 102 HG2 GLU 15 HG2 GLU 15 6.290 3.119 -7.366 103 HG3 GLU 15 HG3 GLU 15 7.624 3.240 -6.220 104 H TRP 16 H TRP 16 6.620 5.048 -3.124 105 HA TRP 16 HA TRP 16 9.512 5.590 -3.231 106 HB2 TRP 16 HB2 TRP 16 7.535 6.533 -1.147 107 HB3 TRP 16 HB3 TRP 16 9.283 6.613 -0.949 108 HD1 TRP 16 HD1 TRP 16 6.878 7.744 -3.797 109 HE1 TRP 16 HE1 TRP 16 7.538 10.139 -4.471 110 HE3 TRP 16 HE3 TRP 16 10.739 8.474 -0.526 111 HZ2 TRP 16 HZ2 TRP 16 9.443 12.080 -3.717 112 HZ3 TRP 16 HZ3 TRP 16 11.928 10.627 -0.567 113 HH2 TRP 16 HH2 TRP 16 11.293 12.391 -2.130 114 H CYS 17 H CYS 17 10.545 4.844 -1.052 115 HA CYS 17 HA CYS 17 9.941 2.037 -0.805 116 HB2 CYS 17 HB2 CYS 17 11.951 3.548 0.853 117 HB3 CYS 17 HB3 CYS 17 11.972 1.850 0.386 118 H CYS 18 H CYS 18 9.708 0.975 1.303 119 HA CYS 18 HA CYS 18 7.587 2.101 2.796 120 HB2 CYS 18 HB2 CYS 18 9.380 -0.241 3.473 121 HB3 CYS 18 HB3 CYS 18 7.853 0.137 4.263 122 H GLY 19 H GLY 19 7.670 2.251 5.245 123 HA2 GLY 19 HA2 GLY 19 8.409 3.430 7.072 124 HA3 GLY 19 HA3 GLY 19 9.977 2.725 6.707 125 H ALA 20 H ALA 20 11.576 4.035 6.069 126 HA ALA 20 HA ALA 20 10.985 6.590 4.821 127 HB1 ALA 20 HB1 ALA 20 10.843 7.185 7.152 128 HB2 ALA 20 HB2 ALA 20 12.396 6.414 7.479 129 HB3 ALA 20 HB3 ALA 20 12.324 7.858 6.469 130 H LEU 21 H LEU 21 12.244 4.289 3.814 131 HA LEU 21 HA LEU 21 15.100 4.926 3.805 132 HB2 LEU 21 HB2 LEU 21 13.807 2.622 2.385 133 HB3 LEU 21 HB3 LEU 21 15.481 2.790 2.910 134 HG LEU 21 HG LEU 21 13.345 2.714 4.984 135 HD11 LEU 21 HD11 LEU 21 12.601 0.708 4.412 136 HD12 LEU 21 HD12 LEU 21 14.235 0.074 4.606 137 HD13 LEU 21 HD13 LEU 21 13.697 0.656 3.031 138 HD21 LEU 21 HD21 LEU 21 16.064 2.882 5.050 139 HD22 LEU 21 HD22 LEU 21 15.805 1.149 5.253 140 HD23 LEU 21 HD23 LEU 21 15.054 2.290 6.370 141 H SER 22 H SER 22 16.258 5.031 1.770 142 HA SER 22 HA SER 22 14.596 6.184 -0.371 143 HB2 SER 22 HB2 SER 22 17.031 7.116 -0.993 144 HB3 SER 22 HB3 SER 22 15.962 7.950 0.134 145 HG SER 22 HG SER 22 17.879 7.768 1.179 146 H CYS 23 H CYS 23 15.993 6.130 -2.540 147 HA CYS 23 HA CYS 23 16.457 3.290 -3.042 148 HB2 CYS 23 HB2 CYS 23 14.898 4.665 -4.478 149 HB3 CYS 23 HB3 CYS 23 16.315 5.528 -5.066 150 H LYS 24 H LYS 24 18.454 2.525 -3.003 151 HA LYS 24 HA LYS 24 20.642 4.212 -4.002 152 HB2 LYS 24 HB2 LYS 24 21.198 2.364 -1.732 153 HB3 LYS 24 HB3 LYS 24 21.989 3.873 -2.168 154 HG2 LYS 24 HG2 LYS 24 20.896 4.556 -0.302 155 HG3 LYS 24 HG3 LYS 24 19.637 4.878 -1.497 156 HD2 LYS 24 HD2 LYS 24 18.473 2.890 -0.939 157 HD3 LYS 24 HD3 LYS 24 19.833 2.276 0.005 158 HE2 LYS 24 HE2 LYS 24 18.390 4.814 0.723 159 HE3 LYS 24 HE3 LYS 24 17.856 3.235 1.296 160 HZ1 LYS 24 HZ1 LYS 24 19.316 3.433 2.929 161 HZ2 LYS 24 HZ2 LYS 24 19.941 4.866 2.282 162 HZ3 LYS 24 HZ3 LYS 24 20.573 3.373 1.798 163 H TYR 25 H TYR 25 22.614 2.919 -4.523 164 HA TYR 25 HA TYR 25 21.841 0.607 -6.061 165 HB2 TYR 25 HB2 TYR 25 23.402 2.207 -7.024 166 HB3 TYR 25 HB3 TYR 25 24.525 1.954 -5.692 167 HD1 TYR 25 HD2 TYR 25 25.843 -0.098 -5.548 168 HD2 TYR 25 HD1 TYR 25 23.198 0.588 -8.809 169 HE1 TYR 25 HE2 TYR 25 26.935 -1.907 -6.807 170 HE2 TYR 25 HE1 TYR 25 24.282 -1.220 -10.077 171 HH TYR 25 HH TYR 25 26.883 -2.307 -9.871 172 H SER 26 H SER 26 22.171 -1.479 -5.583 173 HA SER 26 HA SER 26 23.595 -2.088 -3.079 174 HB2 SER 26 HB2 SER 26 21.145 -3.207 -4.349 175 HB3 SER 26 HB3 SER 26 22.176 -4.322 -3.453 176 HG SER 26 HG SER 26 20.886 -1.986 -2.509 177 H ILE 27 H ILE 27 25.648 -2.464 -3.786 178 HA ILE 27 HA ILE 27 26.445 -3.700 -6.133 179 HB ILE 27 HB ILE 27 27.941 -4.046 -3.545 180 HG12 ILE 27 HG12 ILE 27 28.944 -1.755 -4.726 181 HG13 ILE 27 HG13 ILE 27 27.204 -1.577 -4.929 182 HG21 ILE 27 HG21 ILE 27 29.878 -3.662 -5.161 183 HG22 ILE 27 HG22 ILE 27 29.013 -5.193 -5.284 184 HG23 ILE 27 HG23 ILE 27 28.696 -3.906 -6.447 185 HD11 ILE 27 HD11 ILE 27 28.848 -1.501 -2.491 186 HD12 ILE 27 HD12 ILE 27 27.367 -0.634 -2.897 187 HD13 ILE 27 HD13 ILE 27 27.288 -2.310 -2.353 188 H LYS 28 H LYS 28 25.708 -5.152 -2.988 189 HA LYS 28 HA LYS 28 26.481 -7.767 -3.493 190 HB2 LYS 28 HB2 LYS 28 24.035 -6.974 -1.910 191 HB3 LYS 28 HB3 LYS 28 25.015 -8.421 -1.707 192 HG2 LYS 28 HG2 LYS 28 26.025 -7.293 -0.075 193 HG3 LYS 28 HG3 LYS 28 26.853 -6.424 -1.370 194 HD2 LYS 28 HD2 LYS 28 26.011 -4.649 -0.208 195 HD3 LYS 28 HD3 LYS 28 24.651 -4.953 -1.291 196 HE2 LYS 28 HE2 LYS 28 23.642 -6.372 0.495 197 HE3 LYS 28 HE3 LYS 28 24.945 -5.864 1.569 198 HZ1 LYS 28 HZ1 LYS 28 24.105 -3.775 1.755 199 HZ2 LYS 28 HZ2 LYS 28 22.656 -4.611 1.505 200 HZ3 LYS 28 HZ3 LYS 28 23.388 -3.785 0.223 201 H ARG 29 H ARG 29 23.425 -6.148 -4.252 202 HA ARG 29 HA ARG 29 22.439 -8.552 -5.581 203 HB2 ARG 29 HB2 ARG 29 21.165 -5.891 -4.947 204 HB3 ARG 29 HB3 ARG 29 20.373 -7.121 -5.923 205 HG2 ARG 29 HG2 ARG 29 21.184 -8.485 -3.655 206 HG3 ARG 29 HG3 ARG 29 20.636 -6.920 -3.052 207 HD2 ARG 29 HD2 ARG 29 18.797 -8.506 -3.098 208 HD3 ARG 29 HD3 ARG 29 18.521 -7.207 -4.257 209 HE ARG 29 HE ARG 29 18.563 -8.756 -5.933 210 HH11 ARG 29 HH11 ARG 29 20.051 -10.126 -3.099 211 HH12 ARG 29 HH12 ARG 29 20.209 -11.708 -3.787 212 HH21 ARG 29 HH21 ARG 29 18.765 -10.835 -6.849 213 HH22 ARG 29 HH22 ARG 29 19.478 -12.111 -5.920 214 H ASN 30 H ASN 30 24.550 -6.334 -6.445 215 HA ASN 30 HA ASN 30 25.145 -5.223 -8.362 216 HB2 ASN 30 HB2 ASN 30 25.128 -6.676 -10.349 217 HB3 ASN 30 HB3 ASN 30 25.658 -7.553 -8.917 218 HD21 ASN 30 HD21 ASN 30 24.786 -9.464 -8.620 219 HD22 ASN 30 HD22 ASN 30 23.274 -10.006 -9.258 220 H LEU 31 H LEU 31 22.553 -4.474 -7.433 221 HA LEU 31 HA LEU 31 21.495 -3.398 -9.908 222 HB2 LEU 31 HB2 LEU 31 19.822 -5.076 -8.046 223 HB3 LEU 31 HB3 LEU 31 19.170 -4.056 -9.326 224 HG LEU 31 HG LEU 31 21.066 -6.336 -9.850 225 HD11 LEU 31 HD11 LEU 31 18.801 -7.361 -10.699 226 HD12 LEU 31 HD12 LEU 31 18.116 -6.313 -9.456 227 HD13 LEU 31 HD13 LEU 31 19.307 -7.538 -9.018 228 HD21 LEU 31 HD21 LEU 31 20.832 -4.534 -11.559 229 HD22 LEU 31 HD22 LEU 31 19.117 -4.931 -11.670 230 HD23 LEU 31 HD23 LEU 31 20.331 -6.131 -12.118 231 H LYS 32 H LYS 32 19.197 -2.251 -9.021 232 HA LYS 32 HA LYS 32 20.129 -0.520 -6.825 233 HB2 LYS 32 HB2 LYS 32 18.273 0.214 -9.096 234 HB3 LYS 32 HB3 LYS 32 18.868 1.298 -7.844 235 HG2 LYS 32 HG2 LYS 32 20.350 1.847 -9.447 236 HG3 LYS 32 HG3 LYS 32 21.207 0.438 -8.816 237 HD2 LYS 32 HD2 LYS 32 21.026 -0.599 -10.775 238 HD3 LYS 32 HD3 LYS 32 19.272 -0.401 -10.756 239 HE2 LYS 32 HE2 LYS 32 19.419 1.718 -11.824 240 HE3 LYS 32 HE3 LYS 32 21.167 1.780 -11.604 241 HZ1 LYS 32 HZ1 LYS 32 20.370 1.172 -13.889 242 HZ2 LYS 32 HZ2 LYS 32 19.831 -0.295 -13.244 243 HZ3 LYS 32 HZ3 LYS 32 21.477 0.094 -13.200 244 H ILE 33 H ILE 33 19.059 -0.915 -5.009 245 HA ILE 33 HA ILE 33 16.144 -1.227 -5.136 246 HB ILE 33 HB ILE 33 16.079 -3.063 -3.673 247 HG12 ILE 33 HG12 ILE 33 19.015 -2.534 -3.201 248 HG13 ILE 33 HG13 ILE 33 17.703 -2.437 -2.032 249 HG21 ILE 33 HG21 ILE 33 16.959 -3.416 -6.091 250 HG22 ILE 33 HG22 ILE 33 18.470 -3.839 -5.289 251 HG23 ILE 33 HG23 ILE 33 17.004 -4.757 -4.946 252 HD11 ILE 33 HD11 ILE 33 19.156 -4.794 -3.066 253 HD12 ILE 33 HD12 ILE 33 18.562 -4.443 -1.443 254 HD13 ILE 33 HD13 ILE 33 17.444 -4.991 -2.692 255 H CYS 34 H CYS 34 15.223 -1.125 -2.809 256 HA CYS 34 HA CYS 34 16.190 1.335 -1.650 257 HB2 CYS 34 HB2 CYS 34 13.831 -0.451 -1.059 258 HB3 CYS 34 HB3 CYS 34 14.214 0.961 -0.079 259 H VAL 35 H VAL 35 16.664 1.604 0.612 260 HA VAL 35 HA VAL 35 17.376 -0.797 2.106 261 HB VAL 35 HB VAL 35 19.416 1.386 1.698 262 HG11 VAL 35 HG11 VAL 35 20.330 -1.253 2.501 263 HG12 VAL 35 HG12 VAL 35 20.660 0.326 3.217 264 HG13 VAL 35 HG13 VAL 35 19.192 -0.551 3.651 265 HG21 VAL 35 HG21 VAL 35 20.610 -0.161 0.232 266 HG22 VAL 35 HG22 VAL 35 19.284 -1.317 0.361 267 HG23 VAL 35 HG23 VAL 35 19.023 0.239 -0.427 Start of MODEL 9 1 H1 GLY 1 H GLY 1 2.197 0.116 0.536 2 HA2 GLY 1 HA2 GLY 1 2.396 -0.746 -2.084 3 HA3 GLY 1 HA3 GLY 1 1.536 0.784 -2.152 4 H CYS 2 H CYS 2 4.364 -0.530 -0.416 5 HA CYS 2 HA CYS 2 5.910 1.777 -1.380 6 HB2 CYS 2 HB2 CYS 2 7.001 1.942 0.833 7 HB3 CYS 2 HB3 CYS 2 5.274 2.273 0.915 8 H ILE 3 H ILE 3 8.242 1.444 -1.332 9 HA ILE 3 HA ILE 3 8.900 -1.300 -2.043 10 HB ILE 3 HB ILE 3 10.601 1.189 -2.221 11 HG12 ILE 3 HG12 ILE 3 9.715 -0.032 -4.716 12 HG13 ILE 3 HG13 ILE 3 8.366 0.520 -3.728 13 HG21 ILE 3 HG21 ILE 3 11.002 -1.528 -3.465 14 HG22 ILE 3 HG22 ILE 3 12.053 -0.125 -3.650 15 HG23 ILE 3 HG23 ILE 3 11.888 -0.902 -2.075 16 HD11 ILE 3 HD11 ILE 3 10.092 2.034 -5.386 17 HD12 ILE 3 HD12 ILE 3 8.713 2.582 -4.432 18 HD13 ILE 3 HD13 ILE 3 10.326 2.558 -3.719 19 H ALA 4 H ALA 4 9.809 -2.663 -0.665 20 HA ALA 4 HA ALA 4 10.735 -1.774 1.910 21 HB1 ALA 4 HB1 ALA 4 9.475 -3.862 1.660 22 HB2 ALA 4 HB2 ALA 4 10.790 -4.534 0.695 23 HB3 ALA 4 HB3 ALA 4 11.057 -4.135 2.392 24 H LYS 5 H LYS 5 12.846 -2.662 2.776 25 HA LYS 5 HA LYS 5 14.977 -1.695 1.128 26 HB2 LYS 5 HB2 LYS 5 16.414 -2.392 3.064 27 HB3 LYS 5 HB3 LYS 5 15.118 -1.278 3.478 28 HG2 LYS 5 HG2 LYS 5 14.332 -4.065 3.740 29 HG3 LYS 5 HG3 LYS 5 15.706 -3.634 4.762 30 HD2 LYS 5 HD2 LYS 5 14.474 -1.878 5.805 31 HD3 LYS 5 HD3 LYS 5 13.156 -2.031 4.641 32 HE2 LYS 5 HE2 LYS 5 12.227 -3.237 6.317 33 HE3 LYS 5 HE3 LYS 5 13.183 -4.531 5.596 34 HZ1 LYS 5 HZ1 LYS 5 13.646 -4.623 7.867 35 HZ2 LYS 5 HZ2 LYS 5 13.780 -2.944 8.018 36 HZ3 LYS 5 HZ3 LYS 5 14.984 -3.819 7.213 37 H ASN 6 H ASN 6 14.379 -3.377 -0.579 38 HA ASN 6 HA ASN 6 16.433 -5.229 -0.829 39 HB2 ASN 6 HB2 ASN 6 15.556 -6.640 0.826 40 HB3 ASN 6 HB3 ASN 6 13.893 -6.343 0.330 41 HD21 ASN 6 HD21 ASN 6 13.155 -8.291 -0.190 42 HD22 ASN 6 HD22 ASN 6 13.881 -9.361 -1.336 43 H LYS 7 H LYS 7 13.245 -4.158 -1.671 44 HA LYS 7 HA LYS 7 13.247 -5.518 -4.232 45 HB2 LYS 7 HB2 LYS 7 11.325 -3.469 -3.112 46 HB3 LYS 7 HB3 LYS 7 11.085 -4.409 -4.579 47 HG2 LYS 7 HG2 LYS 7 11.618 -6.231 -2.484 48 HG3 LYS 7 HG3 LYS 7 10.416 -5.078 -1.900 49 HD2 LYS 7 HD2 LYS 7 9.011 -5.528 -3.829 50 HD3 LYS 7 HD3 LYS 7 10.232 -6.619 -4.489 51 HE2 LYS 7 HE2 LYS 7 8.938 -7.033 -1.803 52 HE3 LYS 7 HE3 LYS 7 8.287 -7.710 -3.295 53 HZ1 LYS 7 HZ1 LYS 7 11.104 -8.189 -2.616 54 HZ2 LYS 7 HZ2 LYS 7 10.040 -9.147 -3.516 55 HZ3 LYS 7 HZ3 LYS 7 9.907 -9.091 -1.831 56 H GLU 8 H GLU 8 13.353 -4.505 -6.249 57 HA GLU 8 HA GLU 8 15.245 -2.512 -6.578 58 HB2 GLU 8 HB2 GLU 8 14.757 -2.570 -8.859 59 HB3 GLU 8 HB3 GLU 8 14.261 -4.161 -8.300 60 HG2 GLU 8 HG2 GLU 8 11.932 -3.349 -8.175 61 HG3 GLU 8 HG3 GLU 8 12.466 -1.809 -8.847 62 H CYS 9 H CYS 9 15.106 -0.317 -7.219 63 HA CYS 9 HA CYS 9 12.562 1.054 -6.944 64 HB2 CYS 9 HB2 CYS 9 13.452 0.905 -4.626 65 HB3 CYS 9 HB3 CYS 9 14.895 1.764 -5.154 66 H ALA 10 H ALA 10 12.513 2.234 -8.735 67 HA ALA 10 HA ALA 10 14.960 3.243 -9.924 68 HB1 ALA 10 HB1 ALA 10 12.428 4.065 -11.139 69 HB2 ALA 10 HB2 ALA 10 13.832 3.276 -11.859 70 HB3 ALA 10 HB3 ALA 10 12.629 2.319 -10.995 71 H TRP 11 H TRP 11 15.392 5.430 -10.342 72 HA TRP 11 HA TRP 11 14.707 7.217 -8.267 73 HB2 TRP 11 HB2 TRP 11 16.229 7.413 -10.825 74 HB3 TRP 11 HB3 TRP 11 15.728 8.909 -10.042 75 HD1 TRP 11 HD1 TRP 11 16.510 6.237 -7.563 76 HE1 TRP 11 HE1 TRP 11 18.808 6.676 -6.488 77 HE3 TRP 11 HE3 TRP 11 18.201 9.885 -10.721 78 HZ2 TRP 11 HZ2 TRP 11 21.041 8.348 -6.922 79 HZ3 TRP 11 HZ3 TRP 11 20.428 10.852 -10.322 80 HH2 TRP 11 HH2 TRP 11 21.816 10.098 -8.460 81 H PHE 12 H PHE 12 13.046 6.319 -11.067 82 HA PHE 12 HA PHE 12 11.207 8.582 -10.723 83 HB2 PHE 12 HB2 PHE 12 12.834 8.582 -12.833 84 HB3 PHE 12 HB3 PHE 12 11.595 7.509 -13.475 85 HD1 PHE 12 HD1 PHE 12 12.125 10.863 -11.991 86 HD2 PHE 12 HD2 PHE 12 9.605 8.365 -14.341 87 HE1 PHE 12 HE1 PHE 12 10.753 12.816 -12.589 88 HE2 PHE 12 HE2 PHE 12 8.229 10.313 -14.944 89 HZ PHE 12 HZ PHE 12 8.803 12.543 -14.068 90 H SER 13 H SER 13 11.316 5.657 -9.959 91 HA SER 13 HA SER 13 9.507 4.160 -11.471 92 HB2 SER 13 HB2 SER 13 9.191 2.817 -9.403 93 HB3 SER 13 HB3 SER 13 10.891 3.130 -9.754 94 HG SER 13 HG SER 13 10.519 5.028 -8.269 95 H GLY 14 H GLY 14 8.987 6.823 -9.360 96 HA2 GLY 14 HA2 GLY 14 6.991 8.062 -9.261 97 HA3 GLY 14 HA3 GLY 14 6.122 6.670 -9.892 98 H GLU 15 H GLU 15 7.604 4.998 -7.807 99 HA GLU 15 HA GLU 15 5.697 5.543 -5.648 100 HB2 GLU 15 HB2 GLU 15 6.430 3.201 -4.900 101 HB3 GLU 15 HB3 GLU 15 5.456 3.322 -6.358 102 HG2 GLU 15 HG2 GLU 15 8.351 3.415 -6.805 103 HG3 GLU 15 HG3 GLU 15 7.747 1.898 -6.142 104 H TRP 16 H TRP 16 6.666 4.610 -3.442 105 HA TRP 16 HA TRP 16 9.377 5.683 -3.083 106 HB2 TRP 16 HB2 TRP 16 7.222 6.208 -1.052 107 HB3 TRP 16 HB3 TRP 16 8.778 7.011 -1.240 108 HD1 TRP 16 HD1 TRP 16 8.772 8.066 -4.098 109 HE1 TRP 16 HE1 TRP 16 7.050 9.793 -4.921 110 HE3 TRP 16 HE3 TRP 16 5.110 7.282 -0.618 111 HZ2 TRP 16 HZ2 TRP 16 4.480 10.703 -4.191 112 HZ3 TRP 16 HZ3 TRP 16 3.051 8.623 -0.750 113 HH2 TRP 16 HH2 TRP 16 2.745 10.298 -2.500 114 H CYS 17 H CYS 17 10.440 4.940 -1.119 115 HA CYS 17 HA CYS 17 9.920 2.156 -0.650 116 HB2 CYS 17 HB2 CYS 17 11.896 3.875 0.847 117 HB3 CYS 17 HB3 CYS 17 11.961 2.137 0.569 118 H CYS 18 H CYS 18 9.835 1.252 1.574 119 HA CYS 18 HA CYS 18 7.679 2.433 3.020 120 HB2 CYS 18 HB2 CYS 18 9.460 0.130 3.844 121 HB3 CYS 18 HB3 CYS 18 7.875 0.518 4.506 122 H GLY 19 H GLY 19 7.795 2.718 5.441 123 HA2 GLY 19 HA2 GLY 19 8.580 3.967 7.201 124 HA3 GLY 19 HA3 GLY 19 10.125 3.203 6.861 125 H ALA 20 H ALA 20 11.754 4.438 6.156 126 HA ALA 20 HA ALA 20 11.220 6.943 4.783 127 HB1 ALA 20 HB1 ALA 20 11.742 8.365 6.420 128 HB2 ALA 20 HB2 ALA 20 11.508 7.006 7.521 129 HB3 ALA 20 HB3 ALA 20 13.124 7.397 6.933 130 H LEU 21 H LEU 21 12.448 4.479 3.997 131 HA LEU 21 HA LEU 21 15.305 5.053 3.906 132 HB2 LEU 21 HB2 LEU 21 13.899 2.738 2.609 133 HB3 LEU 21 HB3 LEU 21 15.597 2.869 3.062 134 HG LEU 21 HG LEU 21 13.481 2.914 5.176 135 HD11 LEU 21 HD11 LEU 21 14.666 0.297 4.595 136 HD12 LEU 21 HD12 LEU 21 13.519 0.872 3.386 137 HD13 LEU 21 HD13 LEU 21 13.023 0.723 5.072 138 HD21 LEU 21 HD21 LEU 21 15.952 1.442 5.611 139 HD22 LEU 21 HD22 LEU 21 15.208 2.719 6.575 140 HD23 LEU 21 HD23 LEU 21 16.227 3.133 5.195 141 H SER 22 H SER 22 16.467 5.069 1.884 142 HA SER 22 HA SER 22 14.846 6.179 -0.309 143 HB2 SER 22 HB2 SER 22 17.799 6.601 -0.191 144 HB3 SER 22 HB3 SER 22 16.535 7.668 -0.803 145 HG SER 22 HG SER 22 17.475 7.321 1.799 146 H CYS 23 H CYS 23 16.081 5.944 -2.497 147 HA CYS 23 HA CYS 23 16.561 3.085 -2.843 148 HB2 CYS 23 HB2 CYS 23 16.363 5.132 -5.045 149 HB3 CYS 23 HB3 CYS 23 16.074 3.398 -5.138 150 H LYS 24 H LYS 24 18.608 2.478 -2.564 151 HA LYS 24 HA LYS 24 20.727 4.133 -3.773 152 HB2 LYS 24 HB2 LYS 24 21.295 2.175 -1.581 153 HB3 LYS 24 HB3 LYS 24 22.172 3.633 -2.027 154 HG2 LYS 24 HG2 LYS 24 21.198 4.403 -0.142 155 HG3 LYS 24 HG3 LYS 24 19.881 4.757 -1.263 156 HD2 LYS 24 HD2 LYS 24 18.750 2.717 -0.651 157 HD3 LYS 24 HD3 LYS 24 20.111 2.223 0.359 158 HE2 LYS 24 HE2 LYS 24 18.654 4.797 0.857 159 HE3 LYS 24 HE3 LYS 24 18.050 3.269 1.495 160 HZ1 LYS 24 HZ1 LYS 24 20.806 3.514 2.047 161 HZ2 LYS 24 HZ2 LYS 24 19.516 3.374 3.132 162 HZ3 LYS 24 HZ3 LYS 24 20.003 4.901 2.591 163 H TYR 25 H TYR 25 22.649 2.910 -4.497 164 HA TYR 25 HA TYR 25 21.824 0.644 -6.073 165 HB2 TYR 25 HB2 TYR 25 23.289 2.308 -7.070 166 HB3 TYR 25 HB3 TYR 25 24.497 2.038 -5.819 167 HD1 TYR 25 HD2 TYR 25 25.875 0.023 -5.833 168 HD2 TYR 25 HD1 TYR 25 23.008 0.741 -8.893 169 HE1 TYR 25 HE2 TYR 25 26.930 -1.712 -7.220 170 HE2 TYR 25 HE1 TYR 25 24.054 -0.994 -10.289 171 HH TYR 25 HH TYR 25 26.929 -2.071 -10.035 172 H SER 26 H SER 26 22.130 -1.441 -5.628 173 HA SER 26 HA SER 26 23.749 -2.123 -3.270 174 HB2 SER 26 HB2 SER 26 21.244 -3.231 -4.433 175 HB3 SER 26 HB3 SER 26 22.345 -4.370 -3.659 176 HG SER 26 HG SER 26 22.305 -2.746 -1.863 177 H ILE 27 H ILE 27 25.762 -2.398 -4.145 178 HA ILE 27 HA ILE 27 26.449 -3.528 -6.566 179 HB ILE 27 HB ILE 27 28.076 -3.965 -4.070 180 HG12 ILE 27 HG12 ILE 27 29.007 -1.631 -5.229 181 HG13 ILE 27 HG13 ILE 27 27.258 -1.459 -5.332 182 HG21 ILE 27 HG21 ILE 27 28.629 -4.886 -6.457 183 HG22 ILE 27 HG22 ILE 27 29.160 -3.230 -6.748 184 HG23 ILE 27 HG23 ILE 27 29.897 -4.178 -5.456 185 HD11 ILE 27 HD11 ILE 27 27.523 -2.295 -2.782 186 HD12 ILE 27 HD12 ILE 27 29.029 -1.402 -2.998 187 HD13 ILE 27 HD13 ILE 27 27.482 -0.603 -3.277 188 H LYS 28 H LYS 28 26.050 -5.165 -3.436 189 HA LYS 28 HA LYS 28 26.746 -7.739 -4.220 190 HB2 LYS 28 HB2 LYS 28 25.207 -8.468 -2.342 191 HB3 LYS 28 HB3 LYS 28 26.466 -7.320 -1.904 192 HG2 LYS 28 HG2 LYS 28 24.945 -5.935 -1.098 193 HG3 LYS 28 HG3 LYS 28 24.155 -5.857 -2.675 194 HD2 LYS 28 HD2 LYS 28 22.422 -6.692 -1.458 195 HD3 LYS 28 HD3 LYS 28 23.211 -8.214 -1.879 196 HE2 LYS 28 HE2 LYS 28 24.467 -7.240 0.455 197 HE3 LYS 28 HE3 LYS 28 22.728 -7.086 0.702 198 HZ1 LYS 28 HZ1 LYS 28 22.412 -9.338 0.535 199 HZ2 LYS 28 HZ2 LYS 28 23.926 -9.291 1.288 200 HZ3 LYS 28 HZ3 LYS 28 23.817 -9.596 -0.372 201 H ARG 29 H ARG 29 23.697 -6.014 -4.559 202 HA ARG 29 HA ARG 29 22.424 -8.357 -5.743 203 HB2 ARG 29 HB2 ARG 29 21.315 -5.598 -5.194 204 HB3 ARG 29 HB3 ARG 29 20.388 -6.980 -5.762 205 HG2 ARG 29 HG2 ARG 29 21.775 -7.750 -3.406 206 HG3 ARG 29 HG3 ARG 29 20.964 -6.213 -3.102 207 HD2 ARG 29 HD2 ARG 29 19.501 -8.070 -2.545 208 HD3 ARG 29 HD3 ARG 29 18.861 -7.172 -3.921 209 HE ARG 29 HE ARG 29 19.068 -9.062 -5.180 210 HH11 ARG 29 HH11 ARG 29 21.114 -9.360 -2.380 211 HH12 ARG 29 HH12 ARG 29 21.559 -11.000 -2.717 212 HH21 ARG 29 HH21 ARG 29 19.645 -11.221 -5.635 213 HH22 ARG 29 HH22 ARG 29 20.723 -12.058 -4.570 214 H ASN 30 H ASN 30 24.517 -6.182 -6.842 215 HA ASN 30 HA ASN 30 24.942 -5.120 -8.830 216 HB2 ASN 30 HB2 ASN 30 24.725 -6.594 -10.773 217 HB3 ASN 30 HB3 ASN 30 25.323 -7.490 -9.379 218 HD21 ASN 30 HD21 ASN 30 22.761 -7.088 -11.635 219 HD22 ASN 30 HD22 ASN 30 21.816 -8.445 -11.135 220 H LEU 31 H LEU 31 22.439 -4.348 -7.642 221 HA LEU 31 HA LEU 31 21.187 -3.225 -10.000 222 HB2 LEU 31 HB2 LEU 31 19.644 -4.916 -8.041 223 HB3 LEU 31 HB3 LEU 31 18.916 -3.888 -9.273 224 HG LEU 31 HG LEU 31 20.753 -6.187 -9.916 225 HD11 LEU 31 HD11 LEU 31 19.027 -7.372 -9.000 226 HD12 LEU 31 HD12 LEU 31 18.422 -7.167 -10.644 227 HD13 LEU 31 HD13 LEU 31 17.833 -6.122 -9.351 228 HD21 LEU 31 HD21 LEU 31 18.772 -5.454 -11.879 229 HD22 LEU 31 HD22 LEU 31 20.526 -5.561 -12.036 230 HD23 LEU 31 HD23 LEU 31 19.782 -4.072 -11.450 231 H LYS 32 H LYS 32 18.976 -2.084 -8.912 232 HA LYS 32 HA LYS 32 20.071 -0.435 -6.727 233 HB2 LYS 32 HB2 LYS 32 18.312 0.349 -9.052 234 HB3 LYS 32 HB3 LYS 32 18.588 1.387 -7.660 235 HG2 LYS 32 HG2 LYS 32 20.185 2.207 -9.043 236 HG3 LYS 32 HG3 LYS 32 21.121 0.919 -8.281 237 HD2 LYS 32 HD2 LYS 32 21.533 0.700 -10.587 238 HD3 LYS 32 HD3 LYS 32 20.356 -0.560 -10.208 239 HE2 LYS 32 HE2 LYS 32 18.784 1.617 -10.833 240 HE3 LYS 32 HE3 LYS 32 20.127 1.751 -11.967 241 HZ1 LYS 32 HZ1 LYS 32 17.943 0.153 -12.257 242 HZ2 LYS 32 HZ2 LYS 32 19.140 -0.926 -11.744 243 HZ3 LYS 32 HZ3 LYS 32 19.389 0.019 -13.125 244 H ILE 33 H ILE 33 19.072 -0.884 -4.883 245 HA ILE 33 HA ILE 33 16.144 -1.141 -4.906 246 HB ILE 33 HB ILE 33 16.121 -2.981 -3.454 247 HG12 ILE 33 HG12 ILE 33 19.067 -2.454 -3.046 248 HG13 ILE 33 HG13 ILE 33 17.781 -2.339 -1.849 249 HG21 ILE 33 HG21 ILE 33 18.470 -3.665 -5.193 250 HG22 ILE 33 HG22 ILE 33 17.130 -4.695 -4.695 251 HG23 ILE 33 HG23 ILE 33 16.859 -3.399 -5.860 252 HD11 ILE 33 HD11 ILE 33 19.277 -4.672 -2.799 253 HD12 ILE 33 HD12 ILE 33 18.514 -4.362 -1.239 254 HD13 ILE 33 HD13 ILE 33 17.543 -4.922 -2.600 255 H CYS 34 H CYS 34 15.289 -1.014 -2.566 256 HA CYS 34 HA CYS 34 16.356 1.420 -1.421 257 HB2 CYS 34 HB2 CYS 34 13.920 -0.256 -0.821 258 HB3 CYS 34 HB3 CYS 34 14.367 1.143 0.148 259 H VAL 35 H VAL 35 16.705 1.635 0.915 260 HA VAL 35 HA VAL 35 17.398 -0.812 2.339 261 HB VAL 35 HB VAL 35 19.436 1.391 2.002 262 HG11 VAL 35 HG11 VAL 35 20.884 -0.590 2.904 263 HG12 VAL 35 HG12 VAL 35 19.943 0.402 4.018 264 HG13 VAL 35 HG13 VAL 35 19.339 -1.178 3.518 265 HG21 VAL 35 HG21 VAL 35 19.366 -1.337 0.714 266 HG22 VAL 35 HG22 VAL 35 19.114 0.201 -0.111 267 HG23 VAL 35 HG23 VAL 35 20.685 -0.171 0.599 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.509 1.111 -2.844 2 HA2 GLY 1 HA2 GLY 1 1.526 0.158 -0.244 3 HA3 GLY 1 HA3 GLY 1 2.343 -1.063 -1.209 4 H CYS 2 H CYS 2 4.451 -0.874 -0.828 5 HA CYS 2 HA CYS 2 5.816 1.543 -1.572 6 HB2 CYS 2 HB2 CYS 2 6.969 1.839 0.601 7 HB3 CYS 2 HB3 CYS 2 5.238 2.144 0.709 8 H ILE 3 H ILE 3 8.184 1.283 -1.486 9 HA ILE 3 HA ILE 3 8.897 -1.456 -2.158 10 HB ILE 3 HB ILE 3 10.584 1.041 -2.346 11 HG12 ILE 3 HG12 ILE 3 9.724 -0.074 -4.868 12 HG13 ILE 3 HG13 ILE 3 8.331 0.313 -3.863 13 HG21 ILE 3 HG21 ILE 3 11.695 -1.260 -2.248 14 HG22 ILE 3 HG22 ILE 3 10.987 -1.529 -3.840 15 HG23 ILE 3 HG23 ILE 3 12.124 -0.204 -3.593 16 HD11 ILE 3 HD11 ILE 3 10.007 2.055 -5.375 17 HD12 ILE 3 HD12 ILE 3 8.525 2.420 -4.491 18 HD13 ILE 3 HD13 ILE 3 10.083 2.498 -3.669 19 H ALA 4 H ALA 4 9.766 -2.782 -0.720 20 HA ALA 4 HA ALA 4 10.704 -1.829 1.825 21 HB1 ALA 4 HB1 ALA 4 10.800 -4.626 0.703 22 HB2 ALA 4 HB2 ALA 4 10.981 -4.157 2.394 23 HB3 ALA 4 HB3 ALA 4 9.434 -3.934 1.579 24 H LYS 5 H LYS 5 12.814 -2.737 2.707 25 HA LYS 5 HA LYS 5 14.948 -1.795 1.047 26 HB2 LYS 5 HB2 LYS 5 16.383 -2.481 2.990 27 HB3 LYS 5 HB3 LYS 5 15.096 -1.352 3.391 28 HG2 LYS 5 HG2 LYS 5 14.188 -4.063 3.700 29 HG3 LYS 5 HG3 LYS 5 15.667 -3.789 4.623 30 HD2 LYS 5 HD2 LYS 5 14.577 -1.720 5.552 31 HD3 LYS 5 HD3 LYS 5 13.078 -2.255 4.790 32 HE2 LYS 5 HE2 LYS 5 13.288 -4.393 6.065 33 HE3 LYS 5 HE3 LYS 5 14.661 -3.690 6.917 34 HZ1 LYS 5 HZ1 LYS 5 12.056 -2.307 6.868 35 HZ2 LYS 5 HZ2 LYS 5 13.317 -2.157 7.985 36 HZ3 LYS 5 HZ3 LYS 5 12.350 -3.545 7.983 37 H ASN 6 H ASN 6 14.335 -3.495 -0.639 38 HA ASN 6 HA ASN 6 16.381 -5.383 -0.831 39 HB2 ASN 6 HB2 ASN 6 14.695 -6.368 0.967 40 HB3 ASN 6 HB3 ASN 6 13.824 -6.879 -0.475 41 HD21 ASN 6 HD21 ASN 6 14.741 -8.762 1.207 42 HD22 ASN 6 HD22 ASN 6 16.079 -9.604 0.510 43 H LYS 7 H LYS 7 13.207 -4.301 -1.767 44 HA LYS 7 HA LYS 7 13.322 -5.615 -4.349 45 HB2 LYS 7 HB2 LYS 7 11.326 -3.553 -3.409 46 HB3 LYS 7 HB3 LYS 7 11.141 -4.690 -4.738 47 HG2 LYS 7 HG2 LYS 7 11.685 -6.139 -2.340 48 HG3 LYS 7 HG3 LYS 7 10.362 -5.006 -2.054 49 HD2 LYS 7 HD2 LYS 7 8.968 -6.055 -3.515 50 HD3 LYS 7 HD3 LYS 7 10.285 -6.563 -4.575 51 HE2 LYS 7 HE2 LYS 7 9.748 -8.588 -3.689 52 HE3 LYS 7 HE3 LYS 7 10.893 -8.052 -2.460 53 HZ1 LYS 7 HZ1 LYS 7 8.045 -7.401 -2.148 54 HZ2 LYS 7 HZ2 LYS 7 9.229 -7.631 -0.963 55 HZ3 LYS 7 HZ3 LYS 7 8.577 -8.963 -1.775 56 H GLU 8 H GLU 8 13.560 -4.595 -6.331 57 HA GLU 8 HA GLU 8 15.306 -2.374 -6.402 58 HB2 GLU 8 HB2 GLU 8 15.366 -2.662 -8.711 59 HB3 GLU 8 HB3 GLU 8 14.987 -4.276 -8.126 60 HG2 GLU 8 HG2 GLU 8 12.604 -3.852 -8.589 61 HG3 GLU 8 HG3 GLU 8 13.038 -2.278 -9.253 62 H CYS 9 H CYS 9 14.968 -0.273 -7.220 63 HA CYS 9 HA CYS 9 12.247 0.644 -7.649 64 HB2 CYS 9 HB2 CYS 9 12.475 2.452 -5.943 65 HB3 CYS 9 HB3 CYS 9 12.382 0.837 -5.249 66 H ALA 10 H ALA 10 12.135 2.410 -8.953 67 HA ALA 10 HA ALA 10 14.667 3.358 -10.063 68 HB1 ALA 10 HB1 ALA 10 13.608 3.531 -12.021 69 HB2 ALA 10 HB2 ALA 10 12.308 2.615 -11.257 70 HB3 ALA 10 HB3 ALA 10 12.236 4.377 -11.304 71 H TRP 11 H TRP 11 15.183 5.551 -10.256 72 HA TRP 11 HA TRP 11 14.505 7.175 -8.065 73 HB2 TRP 11 HB2 TRP 11 16.011 7.584 -10.611 74 HB3 TRP 11 HB3 TRP 11 15.556 9.001 -9.669 75 HD1 TRP 11 HD1 TRP 11 16.298 6.077 -7.484 76 HE1 TRP 11 HE1 TRP 11 18.620 6.345 -6.407 77 HE3 TRP 11 HE3 TRP 11 18.051 9.972 -10.293 78 HZ2 TRP 11 HZ2 TRP 11 20.894 7.991 -6.708 79 HZ3 TRP 11 HZ3 TRP 11 20.309 10.835 -9.835 80 HH2 TRP 11 HH2 TRP 11 21.700 9.863 -8.079 81 H PHE 12 H PHE 12 12.869 6.589 -10.982 82 HA PHE 12 HA PHE 12 11.044 8.820 -10.413 83 HB2 PHE 12 HB2 PHE 12 12.683 9.000 -12.506 84 HB3 PHE 12 HB3 PHE 12 11.432 8.013 -13.254 85 HD1 PHE 12 HD2 PHE 12 12.005 11.201 -11.453 86 HD2 PHE 12 HD1 PHE 12 9.459 8.978 -14.040 87 HE1 PHE 12 HE2 PHE 12 10.665 13.222 -11.865 88 HE2 PHE 12 HE1 PHE 12 8.115 10.996 -14.457 89 HZ PHE 12 HZ PHE 12 8.716 13.122 -13.368 90 H SER 13 H SER 13 11.071 5.870 -9.878 91 HA SER 13 HA SER 13 9.249 4.550 -11.557 92 HB2 SER 13 HB2 SER 13 8.912 3.017 -9.608 93 HB3 SER 13 HB3 SER 13 10.608 3.291 -10.003 94 HG SER 13 HG SER 13 10.172 5.131 -8.319 95 H GLY 14 H GLY 14 8.785 7.054 -9.293 96 HA2 GLY 14 HA2 GLY 14 6.792 8.281 -9.070 97 HA3 GLY 14 HA3 GLY 14 5.902 6.913 -9.722 98 H GLU 15 H GLU 15 7.473 5.170 -7.760 99 HA GLU 15 HA GLU 15 5.652 5.628 -5.507 100 HB2 GLU 15 HB2 GLU 15 6.406 3.253 -4.888 101 HB3 GLU 15 HB3 GLU 15 5.364 3.441 -6.291 102 HG2 GLU 15 HG2 GLU 15 8.231 3.542 -6.880 103 HG3 GLU 15 HG3 GLU 15 7.660 2.002 -6.241 104 H TRP 16 H TRP 16 6.656 4.700 -3.361 105 HA TRP 16 HA TRP 16 9.418 5.660 -3.078 106 HB2 TRP 16 HB2 TRP 16 7.385 6.252 -0.950 107 HB3 TRP 16 HB3 TRP 16 8.932 7.037 -1.256 108 HD1 TRP 16 HD1 TRP 16 8.777 8.119 -4.070 109 HE1 TRP 16 HE1 TRP 16 7.004 9.829 -4.814 110 HE3 TRP 16 HE3 TRP 16 5.263 7.267 -0.456 111 HZ2 TRP 16 HZ2 TRP 16 4.452 10.702 -3.978 112 HZ3 TRP 16 HZ3 TRP 16 3.184 8.582 -0.499 113 HH2 TRP 16 HH2 TRP 16 2.789 10.264 -2.225 114 H CYS 17 H CYS 17 10.557 4.807 -1.248 115 HA CYS 17 HA CYS 17 9.949 2.066 -0.753 116 HB2 CYS 17 HB2 CYS 17 11.985 3.723 0.733 117 HB3 CYS 17 HB3 CYS 17 12.002 1.985 0.449 118 H CYS 18 H CYS 18 9.859 1.128 1.452 119 HA CYS 18 HA CYS 18 7.753 2.335 2.944 120 HB2 CYS 18 HB2 CYS 18 9.497 -0.025 3.678 121 HB3 CYS 18 HB3 CYS 18 7.960 0.400 4.423 122 H GLY 19 H GLY 19 7.920 2.545 5.384 123 HA2 GLY 19 HA2 GLY 19 8.748 3.764 7.147 124 HA3 GLY 19 HA3 GLY 19 10.273 2.977 6.772 125 H ALA 20 H ALA 20 11.914 4.259 6.264 126 HA ALA 20 HA ALA 20 11.406 6.785 4.885 127 HB1 ALA 20 HB1 ALA 20 11.376 7.323 7.281 128 HB2 ALA 20 HB2 ALA 20 12.992 6.636 7.446 129 HB3 ALA 20 HB3 ALA 20 12.742 8.070 6.451 130 H LEU 21 H LEU 21 12.565 4.318 4.002 131 HA LEU 21 HA LEU 21 15.429 4.856 3.851 132 HB2 LEU 21 HB2 LEU 21 13.988 2.573 2.543 133 HB3 LEU 21 HB3 LEU 21 15.686 2.679 3.006 134 HG LEU 21 HG LEU 21 13.561 2.717 5.112 135 HD11 LEU 21 HD11 LEU 21 12.958 0.604 4.814 136 HD12 LEU 21 HD12 LEU 21 14.638 0.083 4.694 137 HD13 LEU 21 HD13 LEU 21 13.784 0.643 3.256 138 HD21 LEU 21 HD21 LEU 21 16.269 2.968 5.197 139 HD22 LEU 21 HD22 LEU 21 16.067 1.236 5.463 140 HD23 LEU 21 HD23 LEU 21 15.268 2.393 6.530 141 H SER 22 H SER 22 16.536 4.898 1.803 142 HA SER 22 HA SER 22 14.860 6.024 -0.341 143 HB2 SER 22 HB2 SER 22 17.582 6.700 0.673 144 HB3 SER 22 HB3 SER 22 17.273 6.904 -1.051 145 HG SER 22 HG SER 22 16.557 8.498 0.953 146 H CYS 23 H CYS 23 16.344 5.905 -2.507 147 HA CYS 23 HA CYS 23 16.701 3.029 -2.938 148 HB2 CYS 23 HB2 CYS 23 16.280 5.326 -4.856 149 HB3 CYS 23 HB3 CYS 23 16.626 3.680 -5.375 150 H LYS 24 H LYS 24 18.712 2.316 -2.723 151 HA LYS 24 HA LYS 24 20.902 3.956 -3.819 152 HB2 LYS 24 HB2 LYS 24 21.395 2.017 -1.597 153 HB3 LYS 24 HB3 LYS 24 22.285 3.472 -2.026 154 HG2 LYS 24 HG2 LYS 24 21.261 4.233 -0.159 155 HG3 LYS 24 HG3 LYS 24 19.993 4.615 -1.325 156 HD2 LYS 24 HD2 LYS 24 18.817 2.577 -0.771 157 HD3 LYS 24 HD3 LYS 24 20.126 2.077 0.302 158 HE2 LYS 24 HE2 LYS 24 18.595 4.634 0.700 159 HE3 LYS 24 HE3 LYS 24 18.068 3.101 1.392 160 HZ1 LYS 24 HZ1 LYS 24 20.233 4.835 2.189 161 HZ2 LYS 24 HZ2 LYS 24 20.649 3.197 2.131 162 HZ3 LYS 24 HZ3 LYS 24 19.358 3.707 3.098 163 H TYR 25 H TYR 25 22.810 2.698 -4.496 164 HA TYR 25 HA TYR 25 21.985 0.419 -6.052 165 HB2 TYR 25 HB2 TYR 25 23.495 2.041 -7.046 166 HB3 TYR 25 HB3 TYR 25 24.670 1.780 -5.762 167 HD1 TYR 25 HD1 TYR 25 26.008 -0.268 -5.696 168 HD2 TYR 25 HD2 TYR 25 23.255 0.462 -8.857 169 HE1 TYR 25 HE1 TYR 25 27.073 -2.042 -7.024 170 HE2 TYR 25 HE2 TYR 25 24.312 -1.311 -10.194 171 HH TYR 25 HH TYR 25 25.823 -2.944 -10.221 172 H SER 26 H SER 26 22.285 -1.669 -5.602 173 HA SER 26 HA SER 26 23.828 -2.341 -3.188 174 HB2 SER 26 HB2 SER 26 21.339 -3.438 -4.399 175 HB3 SER 26 HB3 SER 26 22.407 -4.573 -3.574 176 HG SER 26 HG SER 26 21.043 -2.339 -2.534 177 H ILE 27 H ILE 27 25.856 -2.687 -3.976 178 HA ILE 27 HA ILE 27 26.582 -3.848 -6.381 179 HB ILE 27 HB ILE 27 28.154 -4.268 -3.849 180 HG12 ILE 27 HG12 ILE 27 29.125 -1.950 -5.007 181 HG13 ILE 27 HG13 ILE 27 27.380 -1.765 -5.146 182 HG21 ILE 27 HG21 ILE 27 28.873 -5.327 -6.011 183 HG22 ILE 27 HG22 ILE 27 29.107 -3.699 -6.647 184 HG23 ILE 27 HG23 ILE 27 30.060 -4.254 -5.270 185 HD11 ILE 27 HD11 ILE 27 27.607 -0.876 -3.097 186 HD12 ILE 27 HD12 ILE 27 27.557 -2.565 -2.592 187 HD13 ILE 27 HD13 ILE 27 29.107 -1.742 -2.768 188 H LYS 28 H LYS 28 26.046 -5.418 -3.242 189 HA LYS 28 HA LYS 28 26.746 -8.017 -3.959 190 HB2 LYS 28 HB2 LYS 28 25.218 -8.712 -2.095 191 HB3 LYS 28 HB3 LYS 28 26.399 -7.486 -1.653 192 HG2 LYS 28 HG2 LYS 28 23.821 -6.434 -2.576 193 HG3 LYS 28 HG3 LYS 28 23.758 -7.363 -1.076 194 HD2 LYS 28 HD2 LYS 28 25.918 -5.839 -0.583 195 HD3 LYS 28 HD3 LYS 28 25.021 -4.753 -1.648 196 HE2 LYS 28 HE2 LYS 28 23.011 -5.210 -0.158 197 HE3 LYS 28 HE3 LYS 28 24.148 -5.942 0.973 198 HZ1 LYS 28 HZ1 LYS 28 25.035 -3.379 0.097 199 HZ2 LYS 28 HZ2 LYS 28 24.794 -3.951 1.671 200 HZ3 LYS 28 HZ3 LYS 28 23.501 -3.287 0.805 201 H ARG 29 H ARG 29 23.809 -6.208 -4.538 202 HA ARG 29 HA ARG 29 22.520 -8.574 -5.688 203 HB2 ARG 29 HB2 ARG 29 21.375 -5.815 -5.220 204 HB3 ARG 29 HB3 ARG 29 20.480 -7.245 -5.717 205 HG2 ARG 29 HG2 ARG 29 21.949 -7.734 -3.283 206 HG3 ARG 29 HG3 ARG 29 20.886 -6.334 -3.125 207 HD2 ARG 29 HD2 ARG 29 20.103 -9.110 -4.007 208 HD3 ARG 29 HD3 ARG 29 19.704 -8.340 -2.472 209 HE ARG 29 HE ARG 29 18.642 -6.642 -4.269 210 HH11 ARG 29 HH11 ARG 29 18.419 -10.093 -3.872 211 HH12 ARG 29 HH12 ARG 29 16.824 -10.198 -4.539 212 HH21 ARG 29 HH21 ARG 29 16.541 -6.767 -5.148 213 HH22 ARG 29 HH22 ARG 29 15.756 -8.306 -5.265 214 H ASN 30 H ASN 30 24.644 -6.398 -6.727 215 HA ASN 30 HA ASN 30 25.117 -5.327 -8.699 216 HB2 ASN 30 HB2 ASN 30 24.961 -6.798 -10.650 217 HB3 ASN 30 HB3 ASN 30 25.522 -7.695 -9.241 218 HD21 ASN 30 HD21 ASN 30 23.029 -7.302 -11.573 219 HD22 ASN 30 HD22 ASN 30 22.072 -8.661 -11.100 220 H LEU 31 H LEU 31 22.588 -4.556 -7.582 221 HA LEU 31 HA LEU 31 21.388 -3.452 -9.979 222 HB2 LEU 31 HB2 LEU 31 19.809 -5.121 -8.027 223 HB3 LEU 31 HB3 LEU 31 19.100 -4.100 -9.276 224 HG LEU 31 HG LEU 31 20.946 -6.400 -9.886 225 HD11 LEU 31 HD11 LEU 31 18.012 -6.343 -9.370 226 HD12 LEU 31 HD12 LEU 31 19.209 -7.566 -8.945 227 HD13 LEU 31 HD13 LEU 31 18.649 -7.422 -10.611 228 HD21 LEU 31 HD21 LEU 31 20.466 -6.041 -12.083 229 HD22 LEU 31 HD22 LEU 31 20.329 -4.385 -11.492 230 HD23 LEU 31 HD23 LEU 31 18.877 -5.356 -11.742 231 H LYS 32 H LYS 32 19.158 -2.294 -8.943 232 HA LYS 32 HA LYS 32 20.213 -0.627 -6.753 233 HB2 LYS 32 HB2 LYS 32 18.306 0.273 -8.915 234 HB3 LYS 32 HB3 LYS 32 19.097 1.279 -7.708 235 HG2 LYS 32 HG2 LYS 32 20.423 1.712 -9.502 236 HG3 LYS 32 HG3 LYS 32 21.277 0.318 -8.836 237 HD2 LYS 32 HD2 LYS 32 20.918 -0.857 -10.692 238 HD3 LYS 32 HD3 LYS 32 19.182 -0.547 -10.607 239 HE2 LYS 32 HE2 LYS 32 19.572 1.655 -11.672 240 HE3 LYS 32 HE3 LYS 32 21.277 1.239 -11.840 241 HZ1 LYS 32 HZ1 LYS 32 19.380 0.746 -13.686 242 HZ2 LYS 32 HZ2 LYS 32 19.472 -0.745 -12.894 243 HZ3 LYS 32 HZ3 LYS 32 20.860 -0.068 -13.586 244 H ILE 33 H ILE 33 19.155 -1.025 -4.931 245 HA ILE 33 HA ILE 33 16.228 -1.238 -5.026 246 HB ILE 33 HB ILE 33 16.126 -3.089 -3.589 247 HG12 ILE 33 HG12 ILE 33 19.069 -2.618 -3.109 248 HG13 ILE 33 HG13 ILE 33 17.757 -2.534 -1.938 249 HG21 ILE 33 HG21 ILE 33 16.831 -3.555 -5.960 250 HG22 ILE 33 HG22 ILE 33 18.473 -3.754 -5.350 251 HG23 ILE 33 HG23 ILE 33 17.190 -4.831 -4.797 252 HD11 ILE 33 HD11 ILE 33 18.766 -4.546 -1.445 253 HD12 ILE 33 HD12 ILE 33 17.432 -5.036 -2.491 254 HD13 ILE 33 HD13 ILE 33 19.068 -4.929 -3.140 255 H CYS 34 H CYS 34 15.344 -1.144 -2.679 256 HA CYS 34 HA CYS 34 16.420 1.270 -1.501 257 HB2 CYS 34 HB2 CYS 34 13.972 -0.396 -0.908 258 HB3 CYS 34 HB3 CYS 34 14.417 1.023 0.035 259 H VAL 35 H VAL 35 16.807 1.471 0.811 260 HA VAL 35 HA VAL 35 17.449 -0.998 2.229 261 HB VAL 35 HB VAL 35 19.511 1.187 1.944 262 HG11 VAL 35 HG11 VAL 35 20.281 0.193 3.797 263 HG12 VAL 35 HG12 VAL 35 19.249 -1.222 3.579 264 HG13 VAL 35 HG13 VAL 35 20.784 -1.108 2.717 265 HG21 VAL 35 HG21 VAL 35 20.744 -0.331 0.490 266 HG22 VAL 35 HG22 VAL 35 19.427 -1.501 0.574 267 HG23 VAL 35 HG23 VAL 35 19.171 0.060 -0.206 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.704 0.820 0.673 2 HA2 GLY 1 HA2 GLY 1 2.319 -1.035 -1.296 3 HA3 GLY 1 HA3 GLY 1 1.455 0.266 -2.102 4 H CYS 2 H CYS 2 4.384 -0.675 -0.491 5 HA CYS 2 HA CYS 2 5.725 1.648 -1.643 6 HB2 CYS 2 HB2 CYS 2 6.981 2.008 0.501 7 HB3 CYS 2 HB3 CYS 2 5.275 2.434 0.578 8 H ILE 3 H ILE 3 8.135 1.423 -1.495 9 HA ILE 3 HA ILE 3 8.849 -1.325 -2.134 10 HB ILE 3 HB ILE 3 10.542 1.168 -2.335 11 HG12 ILE 3 HG12 ILE 3 9.723 0.059 -4.860 12 HG13 ILE 3 HG13 ILE 3 8.303 0.394 -3.875 13 HG21 ILE 3 HG21 ILE 3 12.052 -0.108 -3.633 14 HG22 ILE 3 HG22 ILE 3 11.700 -1.071 -2.199 15 HG23 ILE 3 HG23 ILE 3 10.930 -1.465 -3.736 16 HD11 ILE 3 HD11 ILE 3 10.012 2.622 -3.646 17 HD12 ILE 3 HD12 ILE 3 9.921 2.199 -5.356 18 HD13 ILE 3 HD13 ILE 3 8.445 2.520 -4.446 19 H ALA 4 H ALA 4 9.687 -2.634 -0.665 20 HA ALA 4 HA ALA 4 10.619 -1.650 1.871 21 HB1 ALA 4 HB1 ALA 4 10.728 -3.900 2.551 22 HB2 ALA 4 HB2 ALA 4 9.328 -3.801 1.483 23 HB3 ALA 4 HB3 ALA 4 10.843 -4.482 0.890 24 H LYS 5 H LYS 5 12.716 -2.506 2.786 25 HA LYS 5 HA LYS 5 14.866 -1.635 1.115 26 HB2 LYS 5 HB2 LYS 5 16.284 -2.289 3.085 27 HB3 LYS 5 HB3 LYS 5 15.009 -1.132 3.444 28 HG2 LYS 5 HG2 LYS 5 13.701 -2.753 4.537 29 HG3 LYS 5 HG3 LYS 5 14.670 -4.080 3.892 30 HD2 LYS 5 HD2 LYS 5 16.580 -2.712 5.198 31 HD3 LYS 5 HD3 LYS 5 15.181 -2.291 6.188 32 HE2 LYS 5 HE2 LYS 5 14.764 -4.919 5.968 33 HE3 LYS 5 HE3 LYS 5 16.518 -4.905 5.786 34 HZ1 LYS 5 HZ1 LYS 5 16.753 -3.837 7.883 35 HZ2 LYS 5 HZ2 LYS 5 15.731 -5.165 8.110 36 HZ3 LYS 5 HZ3 LYS 5 15.084 -3.604 8.035 37 H ASN 6 H ASN 6 14.300 -3.348 -0.548 38 HA ASN 6 HA ASN 6 16.321 -5.249 -0.691 39 HB2 ASN 6 HB2 ASN 6 15.334 -6.563 1.004 40 HB3 ASN 6 HB3 ASN 6 13.709 -6.300 0.378 41 HD21 ASN 6 HD21 ASN 6 12.972 -8.213 -0.211 42 HD22 ASN 6 HD22 ASN 6 13.801 -9.350 -1.215 43 H LYS 7 H LYS 7 13.161 -4.166 -1.642 44 HA LYS 7 HA LYS 7 13.226 -5.580 -4.173 45 HB2 LYS 7 HB2 LYS 7 11.288 -3.469 -3.211 46 HB3 LYS 7 HB3 LYS 7 11.075 -4.529 -4.598 47 HG2 LYS 7 HG2 LYS 7 11.565 -6.149 -2.321 48 HG3 LYS 7 HG3 LYS 7 10.323 -4.966 -1.904 49 HD2 LYS 7 HD2 LYS 7 8.906 -5.686 -3.639 50 HD3 LYS 7 HD3 LYS 7 10.206 -6.567 -4.446 51 HE2 LYS 7 HE2 LYS 7 10.284 -8.142 -2.562 52 HE3 LYS 7 HE3 LYS 7 8.962 -7.270 -1.788 53 HZ1 LYS 7 HZ1 LYS 7 7.457 -7.974 -3.384 54 HZ2 LYS 7 HZ2 LYS 7 8.414 -9.348 -3.147 55 HZ3 LYS 7 HZ3 LYS 7 8.658 -8.373 -4.508 56 H GLU 8 H GLU 8 13.457 -4.638 -6.198 57 HA GLU 8 HA GLU 8 15.253 -2.458 -6.363 58 HB2 GLU 8 HB2 GLU 8 15.302 -2.844 -8.658 59 HB3 GLU 8 HB3 GLU 8 14.891 -4.424 -8.006 60 HG2 GLU 8 HG2 GLU 8 12.516 -3.970 -8.481 61 HG3 GLU 8 HG3 GLU 8 12.982 -2.436 -9.212 62 H CYS 9 H CYS 9 14.951 -0.385 -7.260 63 HA CYS 9 HA CYS 9 12.248 0.562 -7.730 64 HB2 CYS 9 HB2 CYS 9 12.515 2.434 -6.090 65 HB3 CYS 9 HB3 CYS 9 12.362 0.847 -5.344 66 H ALA 10 H ALA 10 12.160 2.530 -8.852 67 HA ALA 10 HA ALA 10 14.722 3.324 -10.057 68 HB1 ALA 10 HB1 ALA 10 12.316 2.609 -11.238 69 HB2 ALA 10 HB2 ALA 10 12.377 4.365 -11.393 70 HB3 ALA 10 HB3 ALA 10 13.693 3.377 -12.028 71 H TRP 11 H TRP 11 15.246 5.513 -10.308 72 HA TRP 11 HA TRP 11 14.535 7.193 -8.163 73 HB2 TRP 11 HB2 TRP 11 16.121 7.518 -10.672 74 HB3 TRP 11 HB3 TRP 11 15.649 8.966 -9.788 75 HD1 TRP 11 HD1 TRP 11 16.305 6.088 -7.509 76 HE1 TRP 11 HE1 TRP 11 18.591 6.376 -6.361 77 HE3 TRP 11 HE3 TRP 11 18.158 9.921 -10.340 78 HZ2 TRP 11 HZ2 TRP 11 20.877 8.012 -6.621 79 HZ3 TRP 11 HZ3 TRP 11 20.401 10.790 -9.825 80 HH2 TRP 11 HH2 TRP 11 21.731 9.854 -8.003 81 H PHE 12 H PHE 12 12.952 6.531 -11.082 82 HA PHE 12 HA PHE 12 11.164 8.822 -10.646 83 HB2 PHE 12 HB2 PHE 12 12.833 8.858 -12.724 84 HB3 PHE 12 HB3 PHE 12 11.568 7.864 -13.438 85 HD1 PHE 12 HD1 PHE 12 12.184 11.120 -11.777 86 HD2 PHE 12 HD2 PHE 12 9.638 8.837 -14.311 87 HE1 PHE 12 HE1 PHE 12 10.897 13.149 -12.307 88 HE2 PHE 12 HE2 PHE 12 8.348 10.862 -14.846 89 HZ PHE 12 HZ PHE 12 8.977 13.022 -13.844 90 H SER 13 H SER 13 11.188 5.836 -10.058 91 HA SER 13 HA SER 13 9.323 4.513 -11.669 92 HB2 SER 13 HB2 SER 13 8.958 3.052 -9.665 93 HB3 SER 13 HB3 SER 13 10.657 3.274 -10.082 94 HG SER 13 HG SER 13 10.945 4.106 -8.185 95 H GLY 14 H GLY 14 8.908 7.058 -9.418 96 HA2 GLY 14 HA2 GLY 14 6.945 8.337 -9.216 97 HA3 GLY 14 HA3 GLY 14 6.028 6.996 -9.886 98 H GLU 15 H GLU 15 7.603 5.258 -7.870 99 HA GLU 15 HA GLU 15 5.714 5.705 -5.671 100 HB2 GLU 15 HB2 GLU 15 6.453 3.348 -5.012 101 HB3 GLU 15 HB3 GLU 15 5.486 3.507 -6.472 102 HG2 GLU 15 HG2 GLU 15 7.406 3.242 -7.860 103 HG3 GLU 15 HG3 GLU 15 8.487 3.324 -6.470 104 H TRP 16 H TRP 16 6.685 4.785 -3.497 105 HA TRP 16 HA TRP 16 9.422 5.794 -3.150 106 HB2 TRP 16 HB2 TRP 16 7.325 6.365 -1.078 107 HB3 TRP 16 HB3 TRP 16 8.871 7.167 -1.343 108 HD1 TRP 16 HD1 TRP 16 8.783 8.242 -4.162 109 HE1 TRP 16 HE1 TRP 16 7.010 9.928 -4.961 110 HE3 TRP 16 HE3 TRP 16 5.177 7.353 -0.649 111 HZ2 TRP 16 HZ2 TRP 16 4.425 10.770 -4.202 112 HZ3 TRP 16 HZ3 TRP 16 3.083 8.642 -0.756 113 HH2 TRP 16 HH2 TRP 16 2.717 10.315 -2.496 114 H CYS 17 H CYS 17 10.513 4.985 -1.259 115 HA CYS 17 HA CYS 17 9.928 2.230 -0.770 116 HB2 CYS 17 HB2 CYS 17 11.929 3.924 0.725 117 HB3 CYS 17 HB3 CYS 17 11.960 2.181 0.476 118 H CYS 18 H CYS 18 9.843 1.322 1.460 119 HA CYS 18 HA CYS 18 7.697 2.533 2.905 120 HB2 CYS 18 HB2 CYS 18 9.426 0.154 3.616 121 HB3 CYS 18 HB3 CYS 18 7.929 0.604 4.425 122 H GLY 19 H GLY 19 7.833 2.744 5.350 123 HA2 GLY 19 HA2 GLY 19 8.634 3.982 7.112 124 HA3 GLY 19 HA3 GLY 19 10.157 3.172 6.777 125 H ALA 20 H ALA 20 11.818 4.457 6.362 126 HA ALA 20 HA ALA 20 11.369 6.972 4.933 127 HB1 ALA 20 HB1 ALA 20 13.206 7.064 7.270 128 HB2 ALA 20 HB2 ALA 20 12.252 8.349 6.529 129 HB3 ALA 20 HB3 ALA 20 11.469 7.152 7.560 130 H LEU 21 H LEU 21 12.474 4.559 3.978 131 HA LEU 21 HA LEU 21 15.359 5.047 3.888 132 HB2 LEU 21 HB2 LEU 21 13.938 2.752 2.585 133 HB3 LEU 21 HB3 LEU 21 15.620 2.858 3.099 134 HG LEU 21 HG LEU 21 13.423 2.920 5.130 135 HD11 LEU 21 HD11 LEU 21 12.863 0.788 4.869 136 HD12 LEU 21 HD12 LEU 21 14.551 0.289 4.762 137 HD13 LEU 21 HD13 LEU 21 13.699 0.830 3.316 138 HD21 LEU 21 HD21 LEU 21 16.313 2.753 5.089 139 HD22 LEU 21 HD22 LEU 21 15.592 1.431 6.008 140 HD23 LEU 21 HD23 LEU 21 15.221 3.104 6.429 141 H SER 22 H SER 22 16.474 5.016 1.831 142 HA SER 22 HA SER 22 14.821 6.155 -0.325 143 HB2 SER 22 HB2 SER 22 17.554 6.782 0.683 144 HB3 SER 22 HB3 SER 22 17.264 6.955 -1.048 145 HG SER 22 HG SER 22 16.825 8.832 0.411 146 H CYS 23 H CYS 23 16.302 5.970 -2.491 147 HA CYS 23 HA CYS 23 16.607 3.079 -2.874 148 HB2 CYS 23 HB2 CYS 23 16.105 5.351 -4.793 149 HB3 CYS 23 HB3 CYS 23 16.534 3.733 -5.338 150 H LYS 24 H LYS 24 18.645 2.463 -2.486 151 HA LYS 24 HA LYS 24 20.822 4.055 -3.675 152 HB2 LYS 24 HB2 LYS 24 21.234 2.054 -1.474 153 HB3 LYS 24 HB3 LYS 24 22.247 3.418 -1.929 154 HG2 LYS 24 HG2 LYS 24 21.327 4.385 -0.132 155 HG3 LYS 24 HG3 LYS 24 19.976 4.701 -1.224 156 HD2 LYS 24 HD2 LYS 24 19.035 2.467 -0.478 157 HD3 LYS 24 HD3 LYS 24 20.260 2.483 0.792 158 HE2 LYS 24 HE2 LYS 24 18.321 4.744 0.373 159 HE3 LYS 24 HE3 LYS 24 17.964 3.367 1.414 160 HZ1 LYS 24 HZ1 LYS 24 20.519 4.635 1.896 161 HZ2 LYS 24 HZ2 LYS 24 19.351 4.099 2.995 162 HZ3 LYS 24 HZ3 LYS 24 19.175 5.603 2.241 163 H TYR 25 H TYR 25 22.673 2.845 -4.485 164 HA TYR 25 HA TYR 25 21.818 0.578 -6.041 165 HB2 TYR 25 HB2 TYR 25 23.244 2.218 -7.096 166 HB3 TYR 25 HB3 TYR 25 24.472 2.013 -5.852 167 HD1 TYR 25 HD2 TYR 25 25.888 0.017 -5.819 168 HD2 TYR 25 HD1 TYR 25 23.003 0.618 -8.888 169 HE1 TYR 25 HE2 TYR 25 26.975 -1.725 -7.174 170 HE2 TYR 25 HE1 TYR 25 24.081 -1.123 -10.251 171 HH TYR 25 HH TYR 25 27.051 -2.185 -9.863 172 H SER 26 H SER 26 22.077 -1.496 -5.552 173 HA SER 26 HA SER 26 23.752 -2.184 -3.241 174 HB2 SER 26 HB2 SER 26 21.262 -3.318 -4.413 175 HB3 SER 26 HB3 SER 26 22.380 -4.447 -3.647 176 HG SER 26 HG SER 26 21.604 -2.074 -2.341 177 H ILE 27 H ILE 27 25.769 -2.458 -4.084 178 HA ILE 27 HA ILE 27 26.471 -3.546 -6.528 179 HB ILE 27 HB ILE 27 28.104 -3.983 -4.037 180 HG12 ILE 27 HG12 ILE 27 29.002 -1.624 -5.169 181 HG13 ILE 27 HG13 ILE 27 27.251 -1.475 -5.275 182 HG21 ILE 27 HG21 ILE 27 29.325 -3.139 -6.579 183 HG22 ILE 27 HG22 ILE 27 29.854 -4.346 -5.409 184 HG23 ILE 27 HG23 ILE 27 28.595 -4.744 -6.577 185 HD11 ILE 27 HD11 ILE 27 29.016 -1.424 -2.934 186 HD12 ILE 27 HD12 ILE 27 27.463 -0.635 -3.211 187 HD13 ILE 27 HD13 ILE 27 27.517 -2.332 -2.734 188 H LYS 28 H LYS 28 26.043 -5.204 -3.417 189 HA LYS 28 HA LYS 28 26.797 -7.764 -4.190 190 HB2 LYS 28 HB2 LYS 28 25.225 -8.525 -2.356 191 HB3 LYS 28 HB3 LYS 28 26.446 -7.352 -1.881 192 HG2 LYS 28 HG2 LYS 28 24.868 -6.016 -1.103 193 HG3 LYS 28 HG3 LYS 28 24.141 -5.924 -2.709 194 HD2 LYS 28 HD2 LYS 28 22.376 -6.792 -1.550 195 HD3 LYS 28 HD3 LYS 28 23.184 -8.293 -2.008 196 HE2 LYS 28 HE2 LYS 28 23.053 -8.758 0.187 197 HE3 LYS 28 HE3 LYS 28 24.460 -7.704 0.310 198 HZ1 LYS 28 HZ1 LYS 28 23.264 -6.065 1.264 199 HZ2 LYS 28 HZ2 LYS 28 22.271 -7.348 1.743 200 HZ3 LYS 28 HZ3 LYS 28 21.853 -6.412 0.397 201 H ARG 29 H ARG 29 23.728 -6.089 -4.599 202 HA ARG 29 HA ARG 29 22.551 -8.447 -5.860 203 HB2 ARG 29 HB2 ARG 29 21.330 -5.752 -5.231 204 HB3 ARG 29 HB3 ARG 29 20.464 -7.144 -5.868 205 HG2 ARG 29 HG2 ARG 29 21.820 -7.983 -3.531 206 HG3 ARG 29 HG3 ARG 29 21.001 -6.463 -3.165 207 HD2 ARG 29 HD2 ARG 29 19.605 -8.465 -2.735 208 HD3 ARG 29 HD3 ARG 29 18.898 -7.356 -3.909 209 HE ARG 29 HE ARG 29 19.061 -8.993 -5.499 210 HH11 ARG 29 HH11 ARG 29 21.067 -9.839 -2.783 211 HH12 ARG 29 HH12 ARG 29 21.426 -11.427 -3.375 212 HH21 ARG 29 HH21 ARG 29 19.526 -11.081 -6.290 213 HH22 ARG 29 HH22 ARG 29 20.550 -12.132 -5.371 214 H ASN 30 H ASN 30 24.584 -6.175 -6.853 215 HA ASN 30 HA ASN 30 24.995 -5.021 -8.794 216 HB2 ASN 30 HB2 ASN 30 24.835 -6.440 -10.799 217 HB3 ASN 30 HB3 ASN 30 25.499 -7.331 -9.433 218 HD21 ASN 30 HD21 ASN 30 24.688 -9.264 -9.099 219 HD22 ASN 30 HD22 ASN 30 23.137 -9.822 -9.617 220 H LEU 31 H LEU 31 22.486 -4.326 -7.636 221 HA LEU 31 HA LEU 31 21.198 -3.239 -9.995 222 HB2 LEU 31 HB2 LEU 31 19.722 -4.964 -8.013 223 HB3 LEU 31 HB3 LEU 31 18.943 -3.938 -9.217 224 HG LEU 31 HG LEU 31 20.820 -6.179 -9.942 225 HD11 LEU 31 HD11 LEU 31 18.537 -7.268 -10.579 226 HD12 LEU 31 HD12 LEU 31 17.903 -6.213 -9.317 227 HD13 LEU 31 HD13 LEU 31 19.152 -7.397 -8.931 228 HD21 LEU 31 HD21 LEU 31 20.464 -5.577 -12.055 229 HD22 LEU 31 HD22 LEU 31 19.767 -4.085 -11.421 230 HD23 LEU 31 HD23 LEU 31 18.722 -5.454 -11.804 231 H LYS 32 H LYS 32 18.974 -2.132 -8.899 232 HA LYS 32 HA LYS 32 20.048 -0.453 -6.727 233 HB2 LYS 32 HB2 LYS 32 18.247 0.317 -9.029 234 HB3 LYS 32 HB3 LYS 32 18.602 1.367 -7.664 235 HG2 LYS 32 HG2 LYS 32 20.159 2.136 -9.117 236 HG3 LYS 32 HG3 LYS 32 21.096 0.833 -8.382 237 HD2 LYS 32 HD2 LYS 32 21.362 0.686 -10.755 238 HD3 LYS 32 HD3 LYS 32 20.339 -0.657 -10.239 239 HE2 LYS 32 HE2 LYS 32 18.555 1.400 -10.767 240 HE3 LYS 32 HE3 LYS 32 19.760 1.537 -12.047 241 HZ1 LYS 32 HZ1 LYS 32 19.023 -1.173 -11.625 242 HZ2 LYS 32 HZ2 LYS 32 18.944 -0.252 -13.041 243 HZ3 LYS 32 HZ3 LYS 32 17.656 -0.230 -11.945 244 H ILE 33 H ILE 33 19.045 -0.900 -4.884 245 HA ILE 33 HA ILE 33 16.120 -1.185 -4.916 246 HB ILE 33 HB ILE 33 16.103 -3.029 -3.477 247 HG12 ILE 33 HG12 ILE 33 19.018 -2.420 -3.001 248 HG13 ILE 33 HG13 ILE 33 17.705 -2.414 -1.830 249 HG21 ILE 33 HG21 ILE 33 18.493 -3.718 -5.148 250 HG22 ILE 33 HG22 ILE 33 17.110 -4.724 -4.721 251 HG23 ILE 33 HG23 ILE 33 16.920 -3.411 -5.883 252 HD11 ILE 33 HD11 ILE 33 19.112 -4.743 -3.065 253 HD12 ILE 33 HD12 ILE 33 18.858 -4.366 -1.360 254 HD13 ILE 33 HD13 ILE 33 17.508 -4.918 -2.353 255 H CYS 34 H CYS 34 15.246 -1.044 -2.594 256 HA CYS 34 HA CYS 34 16.317 1.382 -1.434 257 HB2 CYS 34 HB2 CYS 34 13.862 -0.270 -0.826 258 HB3 CYS 34 HB3 CYS 34 14.301 1.176 0.078 259 H VAL 35 H VAL 35 16.604 1.588 0.919 260 HA VAL 35 HA VAL 35 17.427 -0.904 2.236 261 HB VAL 35 HB VAL 35 19.101 1.610 2.163 262 HG11 VAL 35 HG11 VAL 35 19.239 0.494 4.316 263 HG12 VAL 35 HG12 VAL 35 19.586 -1.042 3.518 264 HG13 VAL 35 HG13 VAL 35 20.744 0.285 3.420 265 HG21 VAL 35 HG21 VAL 35 19.053 0.134 0.089 266 HG22 VAL 35 HG22 VAL 35 20.635 0.463 0.796 267 HG23 VAL 35 HG23 VAL 35 19.849 -1.091 1.078 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.107 -0.242 -2.459 2 HA2 GLY 1 HA2 GLY 1 1.625 -0.760 -0.758 3 HA3 GLY 1 HA3 GLY 1 2.367 -1.588 -2.119 4 H CYS 2 H CYS 2 4.446 -1.328 -1.266 5 HA CYS 2 HA CYS 2 5.689 1.175 -1.956 6 HB2 CYS 2 HB2 CYS 2 6.689 1.575 0.258 7 HB3 CYS 2 HB3 CYS 2 4.934 1.696 0.310 8 H ILE 3 H ILE 3 8.065 1.070 -1.733 9 HA ILE 3 HA ILE 3 8.988 -1.614 -2.377 10 HB ILE 3 HB ILE 3 10.561 0.961 -2.448 11 HG12 ILE 3 HG12 ILE 3 9.886 0.016 -5.050 12 HG13 ILE 3 HG13 ILE 3 8.402 0.111 -4.109 13 HG21 ILE 3 HG21 ILE 3 11.811 -1.214 -2.385 14 HG22 ILE 3 HG22 ILE 3 11.055 -1.613 -3.927 15 HG23 ILE 3 HG23 ILE 3 12.122 -0.214 -3.803 16 HD11 ILE 3 HD11 ILE 3 9.182 2.159 -5.467 17 HD12 ILE 3 HD12 ILE 3 8.579 2.394 -3.826 18 HD13 ILE 3 HD13 ILE 3 10.315 2.402 -4.138 19 H ALA 4 H ALA 4 9.766 -2.885 -0.840 20 HA ALA 4 HA ALA 4 10.579 -1.852 1.717 21 HB1 ALA 4 HB1 ALA 4 10.976 -4.688 0.839 22 HB2 ALA 4 HB2 ALA 4 10.632 -4.058 2.451 23 HB3 ALA 4 HB3 ALA 4 9.368 -4.070 1.221 24 H LYS 5 H LYS 5 12.663 -2.738 2.708 25 HA LYS 5 HA LYS 5 14.853 -1.775 1.144 26 HB2 LYS 5 HB2 LYS 5 16.219 -2.401 3.127 27 HB3 LYS 5 HB3 LYS 5 14.847 -1.374 3.521 28 HG2 LYS 5 HG2 LYS 5 13.962 -2.902 4.873 29 HG3 LYS 5 HG3 LYS 5 14.205 -4.200 3.702 30 HD2 LYS 5 HD2 LYS 5 15.809 -4.979 5.036 31 HD3 LYS 5 HD3 LYS 5 16.763 -3.558 4.603 32 HE2 LYS 5 HE2 LYS 5 15.206 -2.488 6.505 33 HE3 LYS 5 HE3 LYS 5 15.245 -4.157 7.070 34 HZ1 LYS 5 HZ1 LYS 5 17.028 -2.861 8.045 35 HZ2 LYS 5 HZ2 LYS 5 17.619 -2.462 6.511 36 HZ3 LYS 5 HZ3 LYS 5 17.663 -4.067 7.042 37 H ASN 6 H ASN 6 14.280 -3.495 -0.565 38 HA ASN 6 HA ASN 6 16.370 -5.307 -0.774 39 HB2 ASN 6 HB2 ASN 6 15.522 -6.710 0.901 40 HB3 ASN 6 HB3 ASN 6 13.853 -6.459 0.399 41 HD21 ASN 6 HD21 ASN 6 13.005 -8.208 -0.438 42 HD22 ASN 6 HD22 ASN 6 13.816 -9.366 -1.431 43 H LYS 7 H LYS 7 13.195 -4.269 -1.659 44 HA LYS 7 HA LYS 7 13.189 -5.708 -4.175 45 HB2 LYS 7 HB2 LYS 7 11.292 -3.535 -3.285 46 HB3 LYS 7 HB3 LYS 7 11.028 -4.733 -4.545 47 HG2 LYS 7 HG2 LYS 7 11.594 -6.110 -2.130 48 HG3 LYS 7 HG3 LYS 7 10.372 -4.881 -1.795 49 HD2 LYS 7 HD2 LYS 7 10.190 -6.813 -4.099 50 HD3 LYS 7 HD3 LYS 7 9.486 -7.129 -2.511 51 HE2 LYS 7 HE2 LYS 7 8.340 -4.836 -2.821 52 HE3 LYS 7 HE3 LYS 7 8.748 -5.035 -4.525 53 HZ1 LYS 7 HZ1 LYS 7 7.558 -7.390 -3.459 54 HZ2 LYS 7 HZ2 LYS 7 7.086 -6.459 -4.789 55 HZ3 LYS 7 HZ3 LYS 7 6.548 -6.050 -3.238 56 H GLU 8 H GLU 8 13.300 -4.757 -6.227 57 HA GLU 8 HA GLU 8 15.241 -2.835 -6.636 58 HB2 GLU 8 HB2 GLU 8 14.668 -2.880 -8.915 59 HB3 GLU 8 HB3 GLU 8 14.223 -4.471 -8.315 60 HG2 GLU 8 HG2 GLU 8 11.880 -3.630 -8.075 61 HG3 GLU 8 HG3 GLU 8 12.392 -2.163 -8.908 62 H CYS 9 H CYS 9 15.114 -0.660 -7.455 63 HA CYS 9 HA CYS 9 12.637 0.798 -7.041 64 HB2 CYS 9 HB2 CYS 9 13.604 2.400 -5.482 65 HB3 CYS 9 HB3 CYS 9 13.690 0.776 -4.807 66 H ALA 10 H ALA 10 12.524 2.701 -8.191 67 HA ALA 10 HA ALA 10 14.868 3.331 -9.866 68 HB1 ALA 10 HB1 ALA 10 12.165 4.039 -10.846 69 HB2 ALA 10 HB2 ALA 10 13.589 3.494 -11.733 70 HB3 ALA 10 HB3 ALA 10 12.601 2.330 -10.850 71 H TRP 11 H TRP 11 15.373 5.477 -10.221 72 HA TRP 11 HA TRP 11 14.744 7.301 -8.173 73 HB2 TRP 11 HB2 TRP 11 16.194 7.468 -10.781 74 HB3 TRP 11 HB3 TRP 11 15.761 8.965 -9.960 75 HD1 TRP 11 HD1 TRP 11 16.549 6.255 -7.532 76 HE1 TRP 11 HE1 TRP 11 18.898 6.610 -6.540 77 HE3 TRP 11 HE3 TRP 11 18.246 9.861 -10.734 78 HZ2 TRP 11 HZ2 TRP 11 21.168 8.208 -7.048 79 HZ3 TRP 11 HZ3 TRP 11 20.517 10.750 -10.412 80 HH2 TRP 11 HH2 TRP 11 21.947 9.940 -8.606 81 H PHE 12 H PHE 12 13.033 6.425 -10.964 82 HA PHE 12 HA PHE 12 11.220 8.703 -10.580 83 HB2 PHE 12 HB2 PHE 12 12.818 8.693 -12.713 84 HB3 PHE 12 HB3 PHE 12 11.556 7.639 -13.342 85 HD1 PHE 12 HD1 PHE 12 12.171 10.984 -11.877 86 HD2 PHE 12 HD2 PHE 12 9.545 8.520 -14.147 87 HE1 PHE 12 HE1 PHE 12 10.817 12.957 -12.445 88 HE2 PHE 12 HE2 PHE 12 8.187 10.490 -14.719 89 HZ PHE 12 HZ PHE 12 8.822 12.712 -13.869 90 H SER 13 H SER 13 11.249 5.835 -9.751 91 HA SER 13 HA SER 13 9.449 4.313 -11.257 92 HB2 SER 13 HB2 SER 13 9.306 2.869 -9.390 93 HB3 SER 13 HB3 SER 13 10.919 3.574 -9.287 94 HG SER 13 HG SER 13 10.381 4.390 -7.438 95 H GLY 14 H GLY 14 8.934 7.069 -9.294 96 HA2 GLY 14 HA2 GLY 14 6.939 8.320 -9.282 97 HA3 GLY 14 HA3 GLY 14 6.065 6.889 -9.806 98 H GLU 15 H GLU 15 7.382 5.254 -7.689 99 HA GLU 15 HA GLU 15 5.657 6.131 -5.479 100 HB2 GLU 15 HB2 GLU 15 5.986 3.721 -4.702 101 HB3 GLU 15 HB3 GLU 15 5.014 3.968 -6.145 102 HG2 GLU 15 HG2 GLU 15 6.655 3.136 -7.552 103 HG3 GLU 15 HG3 GLU 15 7.936 3.388 -6.368 104 H TRP 16 H TRP 16 6.597 4.981 -3.318 105 HA TRP 16 HA TRP 16 9.438 5.712 -3.107 106 HB2 TRP 16 HB2 TRP 16 7.435 6.366 -0.950 107 HB3 TRP 16 HB3 TRP 16 9.089 6.949 -1.116 108 HD1 TRP 16 HD1 TRP 16 9.145 8.124 -3.965 109 HE1 TRP 16 HE1 TRP 16 7.706 10.159 -4.607 110 HE3 TRP 16 HE3 TRP 16 5.590 7.791 -0.306 111 HZ2 TRP 16 HZ2 TRP 16 5.372 11.452 -3.685 112 HZ3 TRP 16 HZ3 TRP 16 3.788 9.466 -0.256 113 HH2 TRP 16 HH2 TRP 16 3.684 11.259 -1.911 114 H CYS 17 H CYS 17 10.494 4.813 -1.165 115 HA CYS 17 HA CYS 17 9.831 2.047 -0.868 116 HB2 CYS 17 HB2 CYS 17 11.837 3.561 0.796 117 HB3 CYS 17 HB3 CYS 17 11.843 1.852 0.372 118 H CYS 18 H CYS 18 9.626 0.987 1.265 119 HA CYS 18 HA CYS 18 7.477 2.108 2.734 120 HB2 CYS 18 HB2 CYS 18 9.250 -0.215 3.515 121 HB3 CYS 18 HB3 CYS 18 7.640 0.132 4.137 122 H GLY 19 H GLY 19 7.566 2.196 5.206 123 HA2 GLY 19 HA2 GLY 19 8.294 3.365 7.044 124 HA3 GLY 19 HA3 GLY 19 9.868 2.682 6.664 125 H ALA 20 H ALA 20 11.451 4.024 6.062 126 HA ALA 20 HA ALA 20 10.833 6.584 4.836 127 HB1 ALA 20 HB1 ALA 20 11.901 6.304 7.608 128 HB2 ALA 20 HB2 ALA 20 12.428 7.658 6.607 129 HB3 ALA 20 HB3 ALA 20 10.715 7.442 6.967 130 H LEU 21 H LEU 21 12.196 4.182 3.986 131 HA LEU 21 HA LEU 21 15.016 4.923 3.935 132 HB2 LEU 21 HB2 LEU 21 13.784 2.568 2.543 133 HB3 LEU 21 HB3 LEU 21 15.451 2.782 3.075 134 HG LEU 21 HG LEU 21 13.299 2.689 5.134 135 HD11 LEU 21 HD11 LEU 21 12.629 0.641 4.624 136 HD12 LEU 21 HD12 LEU 21 14.288 0.067 4.784 137 HD13 LEU 21 HD13 LEU 21 13.694 0.619 3.218 138 HD21 LEU 21 HD21 LEU 21 16.001 2.950 5.239 139 HD22 LEU 21 HD22 LEU 21 15.814 1.207 5.435 140 HD23 LEU 21 HD23 LEU 21 15.003 2.312 6.546 141 H SER 22 H SER 22 16.188 4.968 1.889 142 HA SER 22 HA SER 22 14.528 6.095 -0.267 143 HB2 SER 22 HB2 SER 22 16.177 7.646 0.818 144 HB3 SER 22 HB3 SER 22 17.470 6.600 0.232 145 HG SER 22 HG SER 22 16.599 8.558 -1.068 146 H CYS 23 H CYS 23 16.104 6.043 -2.396 147 HA CYS 23 HA CYS 23 16.465 3.178 -2.884 148 HB2 CYS 23 HB2 CYS 23 14.963 4.384 -4.404 149 HB3 CYS 23 HB3 CYS 23 16.268 5.489 -4.828 150 H LYS 24 H LYS 24 18.436 2.351 -2.863 151 HA LYS 24 HA LYS 24 20.690 4.022 -3.744 152 HB2 LYS 24 HB2 LYS 24 21.040 2.046 -1.518 153 HB3 LYS 24 HB3 LYS 24 22.030 3.441 -1.928 154 HG2 LYS 24 HG2 LYS 24 20.995 4.253 -0.080 155 HG3 LYS 24 HG3 LYS 24 19.815 4.742 -1.299 156 HD2 LYS 24 HD2 LYS 24 18.376 2.949 -0.768 157 HD3 LYS 24 HD3 LYS 24 19.627 2.117 0.159 158 HE2 LYS 24 HE2 LYS 24 18.507 4.803 0.931 159 HE3 LYS 24 HE3 LYS 24 17.840 3.278 1.511 160 HZ1 LYS 24 HZ1 LYS 24 19.347 3.352 3.115 161 HZ2 LYS 24 HZ2 LYS 24 20.116 4.694 2.432 162 HZ3 LYS 24 HZ3 LYS 24 20.558 3.133 1.954 163 H TYR 25 H TYR 25 22.575 2.783 -4.443 164 HA TYR 25 HA TYR 25 21.767 0.499 -6.006 165 HB2 TYR 25 HB2 TYR 25 23.250 2.157 -6.996 166 HB3 TYR 25 HB3 TYR 25 24.444 1.882 -5.732 167 HD1 TYR 25 HD2 TYR 25 25.811 -0.137 -5.729 168 HD2 TYR 25 HD1 TYR 25 22.966 0.578 -8.811 169 HE1 TYR 25 HE2 TYR 25 26.863 -1.888 -7.099 170 HE2 TYR 25 HE1 TYR 25 24.010 -1.172 -10.189 171 HH TYR 25 HH TYR 25 26.032 -2.370 -10.422 172 H SER 26 H SER 26 22.158 -1.592 -5.605 173 HA SER 26 HA SER 26 23.714 -2.243 -3.192 174 HB2 SER 26 HB2 SER 26 21.225 -3.371 -4.372 175 HB3 SER 26 HB3 SER 26 22.320 -4.496 -3.570 176 HG SER 26 HG SER 26 22.112 -3.342 -1.688 177 H ILE 27 H ILE 27 25.737 -2.542 -4.023 178 HA ILE 27 HA ILE 27 26.437 -3.705 -6.436 179 HB ILE 27 HB ILE 27 28.076 -4.069 -3.938 180 HG12 ILE 27 HG12 ILE 27 28.962 -1.733 -5.125 181 HG13 ILE 27 HG13 ILE 27 27.210 -1.592 -5.229 182 HG21 ILE 27 HG21 ILE 27 28.684 -3.834 -6.871 183 HG22 ILE 27 HG22 ILE 27 29.920 -3.625 -5.631 184 HG23 ILE 27 HG23 ILE 27 29.064 -5.160 -5.772 185 HD11 ILE 27 HD11 ILE 27 27.456 -0.689 -3.189 186 HD12 ILE 27 HD12 ILE 27 27.460 -2.376 -2.675 187 HD13 ILE 27 HD13 ILE 27 28.984 -1.515 -2.886 188 H LYS 28 H LYS 28 25.947 -5.251 -3.283 189 HA LYS 28 HA LYS 28 26.731 -7.835 -3.926 190 HB2 LYS 28 HB2 LYS 28 24.412 -7.142 -2.121 191 HB3 LYS 28 HB3 LYS 28 25.439 -8.568 -2.041 192 HG2 LYS 28 HG2 LYS 28 26.598 -7.474 -0.495 193 HG3 LYS 28 HG3 LYS 28 27.230 -6.488 -1.816 194 HD2 LYS 28 HD2 LYS 28 24.877 -5.243 -1.355 195 HD3 LYS 28 HD3 LYS 28 25.251 -5.830 0.267 196 HE2 LYS 28 HE2 LYS 28 27.657 -4.834 -0.505 197 HE3 LYS 28 HE3 LYS 28 26.554 -3.744 -1.342 198 HZ1 LYS 28 HZ1 LYS 28 25.403 -3.559 0.913 199 HZ2 LYS 28 HZ2 LYS 28 26.878 -2.755 0.717 200 HZ3 LYS 28 HZ3 LYS 28 26.819 -4.220 1.559 201 H ARG 29 H ARG 29 23.567 -6.287 -4.332 202 HA ARG 29 HA ARG 29 22.503 -8.666 -5.624 203 HB2 ARG 29 HB2 ARG 29 21.253 -5.985 -5.000 204 HB3 ARG 29 HB3 ARG 29 20.404 -7.321 -5.767 205 HG2 ARG 29 HG2 ARG 29 21.662 -8.230 -3.360 206 HG3 ARG 29 HG3 ARG 29 20.680 -6.801 -3.029 207 HD2 ARG 29 HD2 ARG 29 19.784 -9.346 -4.375 208 HD3 ARG 29 HD3 ARG 29 19.333 -8.786 -2.765 209 HE ARG 29 HE ARG 29 18.502 -6.770 -4.348 210 HH11 ARG 29 HH11 ARG 29 18.027 -10.217 -4.463 211 HH12 ARG 29 HH12 ARG 29 16.472 -10.109 -5.219 212 HH21 ARG 29 HH21 ARG 29 16.455 -6.615 -5.343 213 HH22 ARG 29 HH22 ARG 29 15.579 -8.059 -5.720 214 H ASN 30 H ASN 30 24.541 -6.437 -6.644 215 HA ASN 30 HA ASN 30 24.990 -5.330 -8.603 216 HB2 ASN 30 HB2 ASN 30 24.842 -6.790 -10.578 217 HB3 ASN 30 HB3 ASN 30 25.478 -7.659 -9.184 218 HD21 ASN 30 HD21 ASN 30 24.642 -9.575 -8.819 219 HD22 ASN 30 HD22 ASN 30 23.093 -10.129 -9.346 220 H LEU 31 H LEU 31 22.469 -4.591 -7.493 221 HA LEU 31 HA LEU 31 21.226 -3.537 -9.892 222 HB2 LEU 31 HB2 LEU 31 19.706 -5.212 -7.901 223 HB3 LEU 31 HB3 LEU 31 18.954 -4.202 -9.134 224 HG LEU 31 HG LEU 31 20.819 -6.473 -9.790 225 HD11 LEU 31 HD11 LEU 31 19.152 -7.708 -8.850 226 HD12 LEU 31 HD12 LEU 31 18.474 -7.489 -10.463 227 HD13 LEU 31 HD13 LEU 31 17.924 -6.473 -9.130 228 HD21 LEU 31 HD21 LEU 31 20.608 -5.738 -11.870 229 HD22 LEU 31 HD22 LEU 31 19.611 -4.397 -11.303 230 HD23 LEU 31 HD23 LEU 31 18.857 -5.924 -11.765 231 H LYS 32 H LYS 32 18.994 -2.393 -8.847 232 HA LYS 32 HA LYS 32 20.056 -0.674 -6.701 233 HB2 LYS 32 HB2 LYS 32 18.360 0.015 -9.096 234 HB3 LYS 32 HB3 LYS 32 18.510 1.087 -7.710 235 HG2 LYS 32 HG2 LYS 32 20.139 1.952 -9.033 236 HG3 LYS 32 HG3 LYS 32 21.088 0.740 -8.168 237 HD2 LYS 32 HD2 LYS 32 21.686 0.388 -10.386 238 HD3 LYS 32 HD3 LYS 32 20.433 -0.826 -10.118 239 HE2 LYS 32 HE2 LYS 32 18.778 0.693 -11.122 240 HE3 LYS 32 HE3 LYS 32 20.058 1.866 -11.427 241 HZ1 LYS 32 HZ1 LYS 32 20.702 0.771 -13.236 242 HZ2 LYS 32 HZ2 LYS 32 19.257 -0.102 -13.127 243 HZ3 LYS 32 HZ3 LYS 32 20.678 -0.731 -12.458 244 H ILE 33 H ILE 33 19.041 -1.073 -4.853 245 HA ILE 33 HA ILE 33 16.117 -1.353 -4.894 246 HB ILE 33 HB ILE 33 16.091 -3.162 -3.401 247 HG12 ILE 33 HG12 ILE 33 19.034 -2.620 -2.993 248 HG13 ILE 33 HG13 ILE 33 17.743 -2.482 -1.804 249 HG21 ILE 33 HG21 ILE 33 17.037 -4.886 -4.635 250 HG22 ILE 33 HG22 ILE 33 16.898 -3.584 -5.815 251 HG23 ILE 33 HG23 ILE 33 18.456 -3.931 -5.066 252 HD11 ILE 33 HD11 ILE 33 18.390 -4.504 -1.143 253 HD12 ILE 33 HD12 ILE 33 17.558 -5.098 -2.580 254 HD13 ILE 33 HD13 ILE 33 19.295 -4.800 -2.627 255 H CYS 34 H CYS 34 15.228 -1.156 -2.585 256 HA CYS 34 HA CYS 34 16.285 1.295 -1.475 257 HB2 CYS 34 HB2 CYS 34 13.854 -0.374 -0.822 258 HB3 CYS 34 HB3 CYS 34 14.282 1.089 0.059 259 H VAL 35 H VAL 35 16.675 1.573 0.826 260 HA VAL 35 HA VAL 35 17.304 -0.833 2.344 261 HB VAL 35 HB VAL 35 19.407 1.292 1.926 262 HG11 VAL 35 HG11 VAL 35 19.551 -1.432 3.215 263 HG12 VAL 35 HG12 VAL 35 20.881 -0.283 3.051 264 HG13 VAL 35 HG13 VAL 35 19.497 0.108 4.073 265 HG21 VAL 35 HG21 VAL 35 19.248 -1.465 0.709 266 HG22 VAL 35 HG22 VAL 35 19.029 0.058 -0.155 267 HG23 VAL 35 HG23 VAL 35 20.596 -0.338 0.552 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.103 0.089 -0.208 2 HA2 GLY 1 HA2 GLY 1 2.107 -1.424 -1.433 3 HA3 GLY 1 HA3 GLY 1 1.211 -0.124 -2.205 4 H CYS 2 H CYS 2 4.183 -1.082 -0.773 5 HA CYS 2 HA CYS 2 5.448 1.337 -1.755 6 HB2 CYS 2 HB2 CYS 2 6.651 1.695 0.419 7 HB3 CYS 2 HB3 CYS 2 4.930 2.061 0.472 8 H ILE 3 H ILE 3 7.861 1.187 -1.564 9 HA ILE 3 HA ILE 3 8.676 -1.528 -2.232 10 HB ILE 3 HB ILE 3 10.233 1.054 -2.411 11 HG12 ILE 3 HG12 ILE 3 9.483 -0.308 -4.889 12 HG13 ILE 3 HG13 ILE 3 8.094 0.245 -3.960 13 HG21 ILE 3 HG21 ILE 3 11.804 -0.204 -3.778 14 HG22 ILE 3 HG22 ILE 3 11.662 -0.920 -2.173 15 HG23 ILE 3 HG23 ILE 3 10.850 -1.670 -3.547 16 HD11 ILE 3 HD11 ILE 3 8.763 2.482 -4.091 17 HD12 ILE 3 HD12 ILE 3 10.396 2.052 -4.602 18 HD13 ILE 3 HD13 ILE 3 9.037 1.824 -5.704 19 H ALA 4 H ALA 4 9.519 -2.822 -0.752 20 HA ALA 4 HA ALA 4 10.401 -1.826 1.796 21 HB1 ALA 4 HB1 ALA 4 9.268 -4.145 1.040 22 HB2 ALA 4 HB2 ALA 4 10.962 -4.633 1.095 23 HB3 ALA 4 HB3 ALA 4 10.194 -3.949 2.528 24 H LYS 5 H LYS 5 12.508 -2.607 2.732 25 HA LYS 5 HA LYS 5 14.652 -1.691 1.082 26 HB2 LYS 5 HB2 LYS 5 16.069 -2.253 3.056 27 HB3 LYS 5 HB3 LYS 5 14.714 -1.198 3.434 28 HG2 LYS 5 HG2 LYS 5 13.986 -2.619 4.963 29 HG3 LYS 5 HG3 LYS 5 13.907 -3.917 3.770 30 HD2 LYS 5 HD2 LYS 5 16.534 -3.921 4.171 31 HD3 LYS 5 HD3 LYS 5 16.040 -3.254 5.729 32 HE2 LYS 5 HE2 LYS 5 14.402 -5.513 4.954 33 HE3 LYS 5 HE3 LYS 5 16.112 -5.937 5.006 34 HZ1 LYS 5 HZ1 LYS 5 14.957 -6.258 7.142 35 HZ2 LYS 5 HZ2 LYS 5 14.650 -4.596 7.214 36 HZ3 LYS 5 HZ3 LYS 5 16.243 -5.164 7.255 37 H ASN 6 H ASN 6 14.129 -3.432 -0.578 38 HA ASN 6 HA ASN 6 16.205 -5.276 -0.700 39 HB2 ASN 6 HB2 ASN 6 15.251 -6.619 0.984 40 HB3 ASN 6 HB3 ASN 6 13.618 -6.385 0.366 41 HD21 ASN 6 HD21 ASN 6 12.855 -8.215 -0.384 42 HD22 ASN 6 HD22 ASN 6 13.721 -9.372 -1.331 43 H LYS 7 H LYS 7 13.022 -4.284 -1.678 44 HA LYS 7 HA LYS 7 13.167 -5.692 -4.213 45 HB2 LYS 7 HB2 LYS 7 11.116 -3.653 -3.348 46 HB3 LYS 7 HB3 LYS 7 10.963 -4.847 -4.631 47 HG2 LYS 7 HG2 LYS 7 11.544 -6.196 -2.190 48 HG3 LYS 7 HG3 LYS 7 10.205 -5.076 -1.925 49 HD2 LYS 7 HD2 LYS 7 8.853 -6.123 -3.491 50 HD3 LYS 7 HD3 LYS 7 10.222 -6.851 -4.334 51 HE2 LYS 7 HE2 LYS 7 9.430 -7.610 -1.532 52 HE3 LYS 7 HE3 LYS 7 8.787 -8.420 -2.960 53 HZ1 LYS 7 HZ1 LYS 7 10.770 -9.402 -3.412 54 HZ2 LYS 7 HZ2 LYS 7 10.920 -9.293 -1.731 55 HZ3 LYS 7 HZ3 LYS 7 11.692 -8.161 -2.724 56 H GLU 8 H GLU 8 13.255 -4.685 -6.246 57 HA GLU 8 HA GLU 8 15.109 -2.688 -6.601 58 HB2 GLU 8 HB2 GLU 8 14.544 -2.689 -8.868 59 HB3 GLU 8 HB3 GLU 8 14.060 -4.289 -8.325 60 HG2 GLU 8 HG2 GLU 8 11.742 -3.496 -8.122 61 HG3 GLU 8 HG3 GLU 8 12.247 -1.923 -8.737 62 H CYS 9 H CYS 9 14.986 -0.479 -7.180 63 HA CYS 9 HA CYS 9 12.468 0.920 -6.813 64 HB2 CYS 9 HB2 CYS 9 13.412 0.707 -4.522 65 HB3 CYS 9 HB3 CYS 9 14.855 1.556 -5.067 66 H ALA 10 H ALA 10 12.432 2.029 -8.661 67 HA ALA 10 HA ALA 10 14.854 3.075 -9.846 68 HB1 ALA 10 HB1 ALA 10 12.501 2.176 -10.892 69 HB2 ALA 10 HB2 ALA 10 12.311 3.925 -11.017 70 HB3 ALA 10 HB3 ALA 10 13.699 3.133 -11.764 71 H TRP 11 H TRP 11 15.368 5.234 -10.146 72 HA TRP 11 HA TRP 11 14.660 7.007 -8.075 73 HB2 TRP 11 HB2 TRP 11 16.236 7.218 -10.601 74 HB3 TRP 11 HB3 TRP 11 15.753 8.708 -9.794 75 HD1 TRP 11 HD1 TRP 11 16.432 5.966 -7.361 76 HE1 TRP 11 HE1 TRP 11 18.718 6.331 -6.236 77 HE3 TRP 11 HE3 TRP 11 18.258 9.644 -10.407 78 HZ2 TRP 11 HZ2 TRP 11 20.994 7.963 -6.593 79 HZ3 TRP 11 HZ3 TRP 11 20.497 10.554 -9.946 80 HH2 TRP 11 HH2 TRP 11 21.835 9.729 -8.078 81 H PHE 12 H PHE 12 13.056 6.196 -10.941 82 HA PHE 12 HA PHE 12 11.247 8.482 -10.592 83 HB2 PHE 12 HB2 PHE 12 12.924 8.493 -12.662 84 HB3 PHE 12 HB3 PHE 12 11.682 7.455 -13.355 85 HD1 PHE 12 HD2 PHE 12 12.299 10.787 -11.880 86 HD2 PHE 12 HD1 PHE 12 9.666 8.347 -14.167 87 HE1 PHE 12 HE2 PHE 12 10.977 12.775 -12.474 88 HE2 PHE 12 HE1 PHE 12 8.340 10.331 -14.764 89 HZ PHE 12 HZ PHE 12 8.994 12.549 -13.916 90 H SER 13 H SER 13 11.190 5.637 -9.766 91 HA SER 13 HA SER 13 9.424 4.160 -11.383 92 HB2 SER 13 HB2 SER 13 8.980 2.857 -9.273 93 HB3 SER 13 HB3 SER 13 10.687 3.023 -9.684 94 HG SER 13 HG SER 13 9.569 4.967 -8.031 95 H GLY 14 H GLY 14 8.907 6.899 -9.439 96 HA2 GLY 14 HA2 GLY 14 6.911 8.148 -9.434 97 HA3 GLY 14 HA3 GLY 14 6.033 6.706 -9.922 98 H GLU 15 H GLU 15 7.284 5.067 -7.820 99 HA GLU 15 HA GLU 15 5.624 6.017 -5.593 100 HB2 GLU 15 HB2 GLU 15 5.886 3.618 -4.789 101 HB3 GLU 15 HB3 GLU 15 4.939 3.856 -6.251 102 HG2 GLU 15 HG2 GLU 15 7.724 3.434 -6.869 103 HG3 GLU 15 HG3 GLU 15 7.073 2.117 -5.896 104 H TRP 16 H TRP 16 6.523 5.006 -3.405 105 HA TRP 16 HA TRP 16 9.395 5.639 -3.240 106 HB2 TRP 16 HB2 TRP 16 7.208 6.507 -1.339 107 HB3 TRP 16 HB3 TRP 16 8.931 6.681 -1.016 108 HD1 TRP 16 HD1 TRP 16 6.684 7.659 -4.045 109 HE1 TRP 16 HE1 TRP 16 7.266 10.079 -4.699 110 HE3 TRP 16 HE3 TRP 16 10.253 8.620 -0.512 111 HZ2 TRP 16 HZ2 TRP 16 9.008 12.125 -3.833 112 HZ3 TRP 16 HZ3 TRP 16 11.328 10.832 -0.494 113 HH2 TRP 16 HH2 TRP 16 10.718 12.547 -2.121 114 H CYS 17 H CYS 17 10.318 4.882 -1.069 115 HA CYS 17 HA CYS 17 9.674 2.082 -0.797 116 HB2 CYS 17 HB2 CYS 17 11.667 3.557 0.905 117 HB3 CYS 17 HB3 CYS 17 11.689 1.873 0.390 118 H CYS 18 H CYS 18 9.438 1.076 1.359 119 HA CYS 18 HA CYS 18 7.278 2.230 2.773 120 HB2 CYS 18 HB2 CYS 18 9.081 -0.068 3.563 121 HB3 CYS 18 HB3 CYS 18 7.535 0.321 4.311 122 H GLY 19 H GLY 19 7.319 2.456 5.221 123 HA2 GLY 19 HA2 GLY 19 8.011 3.713 7.015 124 HA3 GLY 19 HA3 GLY 19 9.589 3.004 6.709 125 H ALA 20 H ALA 20 11.195 4.295 6.051 126 HA ALA 20 HA ALA 20 10.622 6.799 4.697 127 HB1 ALA 20 HB1 ALA 20 10.740 6.898 7.409 128 HB2 ALA 20 HB2 ALA 20 12.420 7.216 6.975 129 HB3 ALA 20 HB3 ALA 20 11.136 8.241 6.337 130 H LEU 21 H LEU 21 11.911 4.485 3.790 131 HA LEU 21 HA LEU 21 14.762 5.175 3.806 132 HB2 LEU 21 HB2 LEU 21 13.565 2.729 2.552 133 HB3 LEU 21 HB3 LEU 21 15.220 2.988 3.099 134 HG LEU 21 HG LEU 21 13.139 3.086 5.191 135 HD11 LEU 21 HD11 LEU 21 12.462 0.932 5.144 136 HD12 LEU 21 HD12 LEU 21 13.968 0.357 4.431 137 HD13 LEU 21 HD13 LEU 21 12.746 1.121 3.414 138 HD21 LEU 21 HD21 LEU 21 14.903 2.703 6.490 139 HD22 LEU 21 HD22 LEU 21 15.906 2.902 5.052 140 HD23 LEU 21 HD23 LEU 21 15.380 1.292 5.545 141 H SER 22 H SER 22 15.943 5.105 1.767 142 HA SER 22 HA SER 22 14.282 6.067 -0.468 143 HB2 SER 22 HB2 SER 22 16.929 6.911 0.596 144 HB3 SER 22 HB3 SER 22 16.706 6.979 -1.152 145 HG SER 22 HG SER 22 16.058 8.863 0.314 146 H CYS 23 H CYS 23 15.928 5.921 -2.562 147 HA CYS 23 HA CYS 23 16.290 3.035 -2.890 148 HB2 CYS 23 HB2 CYS 23 16.392 5.125 -5.063 149 HB3 CYS 23 HB3 CYS 23 16.121 3.395 -5.237 150 H LYS 24 H LYS 24 18.262 2.289 -2.503 151 HA LYS 24 HA LYS 24 20.572 3.937 -3.299 152 HB2 LYS 24 HB2 LYS 24 20.496 1.780 -1.183 153 HB3 LYS 24 HB3 LYS 24 21.857 2.828 -1.562 154 HG2 LYS 24 HG2 LYS 24 20.984 3.816 0.325 155 HG3 LYS 24 HG3 LYS 24 20.224 4.749 -0.966 156 HD2 LYS 24 HD2 LYS 24 18.157 3.799 -0.618 157 HD3 LYS 24 HD3 LYS 24 18.834 2.324 0.077 158 HE2 LYS 24 HE2 LYS 24 17.713 3.661 1.780 159 HE3 LYS 24 HE3 LYS 24 19.444 3.555 2.098 160 HZ1 LYS 24 HZ1 LYS 24 18.077 5.836 2.124 161 HZ2 LYS 24 HZ2 LYS 24 18.590 5.831 0.512 162 HZ3 LYS 24 HZ3 LYS 24 19.727 5.746 1.761 163 H TYR 25 H TYR 25 22.415 2.840 -4.170 164 HA TYR 25 HA TYR 25 21.670 0.681 -5.927 165 HB2 TYR 25 HB2 TYR 25 23.087 2.483 -6.763 166 HB3 TYR 25 HB3 TYR 25 24.308 2.114 -5.549 167 HD1 TYR 25 HD2 TYR 25 25.677 0.083 -5.742 168 HD2 TYR 25 HD1 TYR 25 22.864 1.148 -8.752 169 HE1 TYR 25 HE2 TYR 25 26.752 -1.492 -7.296 170 HE2 TYR 25 HE1 TYR 25 23.931 -0.425 -10.313 171 HH TYR 25 HH TYR 25 25.490 -1.984 -10.579 172 H SER 26 H SER 26 22.193 -1.423 -5.763 173 HA SER 26 HA SER 26 23.775 -2.236 -3.416 174 HB2 SER 26 HB2 SER 26 21.321 -3.347 -4.684 175 HB3 SER 26 HB3 SER 26 22.466 -4.496 -3.992 176 HG SER 26 HG SER 26 22.330 -3.250 -2.032 177 H ILE 27 H ILE 27 25.802 -2.463 -4.211 178 HA ILE 27 HA ILE 27 26.501 -3.372 -6.761 179 HB ILE 27 HB ILE 27 28.227 -3.801 -4.335 180 HG12 ILE 27 HG12 ILE 27 28.941 -1.338 -5.361 181 HG13 ILE 27 HG13 ILE 27 27.182 -1.295 -5.427 182 HG21 ILE 27 HG21 ILE 27 29.270 -4.687 -6.223 183 HG22 ILE 27 HG22 ILE 27 28.705 -3.381 -7.263 184 HG23 ILE 27 HG23 ILE 27 29.971 -3.075 -6.075 185 HD11 ILE 27 HD11 ILE 27 27.537 -2.247 -2.940 186 HD12 ILE 27 HD12 ILE 27 28.993 -1.267 -3.115 187 HD13 ILE 27 HD13 ILE 27 27.404 -0.532 -3.330 188 H LYS 28 H LYS 28 26.123 -5.129 -3.711 189 HA LYS 28 HA LYS 28 27.025 -7.631 -4.603 190 HB2 LYS 28 HB2 LYS 28 24.866 -7.206 -2.539 191 HB3 LYS 28 HB3 LYS 28 26.002 -8.544 -2.649 192 HG2 LYS 28 HG2 LYS 28 27.206 -7.448 -1.137 193 HG3 LYS 28 HG3 LYS 28 27.651 -6.356 -2.450 194 HD2 LYS 28 HD2 LYS 28 26.832 -4.788 -1.040 195 HD3 LYS 28 HD3 LYS 28 25.289 -5.283 -1.740 196 HE2 LYS 28 HE2 LYS 28 25.158 -6.985 0.143 197 HE3 LYS 28 HE3 LYS 28 26.501 -6.116 0.883 198 HZ1 LYS 28 HZ1 LYS 28 25.212 -4.239 1.214 199 HZ2 LYS 28 HZ2 LYS 28 24.123 -5.490 1.547 200 HZ3 LYS 28 HZ3 LYS 28 24.057 -4.685 0.060 201 H ARG 29 H ARG 29 23.834 -6.123 -4.702 202 HA ARG 29 HA ARG 29 22.675 -8.480 -5.957 203 HB2 ARG 29 HB2 ARG 29 21.495 -5.828 -5.123 204 HB3 ARG 29 HB3 ARG 29 20.575 -7.089 -5.934 205 HG2 ARG 29 HG2 ARG 29 21.850 -8.324 -3.759 206 HG3 ARG 29 HG3 ARG 29 21.195 -6.799 -3.159 207 HD2 ARG 29 HD2 ARG 29 19.051 -7.454 -3.447 208 HD3 ARG 29 HD3 ARG 29 19.416 -8.361 -4.913 209 HE ARG 29 HE ARG 29 20.479 -9.616 -2.583 210 HH11 ARG 29 HH11 ARG 29 17.572 -9.156 -4.443 211 HH12 ARG 29 HH12 ARG 29 16.842 -10.635 -3.910 212 HH21 ARG 29 HH21 ARG 29 19.529 -11.565 -1.875 213 HH22 ARG 29 HH22 ARG 29 17.956 -12.003 -2.449 214 H ASN 30 H ASN 30 24.604 -6.172 -7.059 215 HA ASN 30 HA ASN 30 24.888 -5.013 -9.019 216 HB2 ASN 30 HB2 ASN 30 24.646 -6.437 -11.012 217 HB3 ASN 30 HB3 ASN 30 25.400 -7.314 -9.684 218 HD21 ASN 30 HD21 ASN 30 24.647 -9.262 -9.310 219 HD22 ASN 30 HD22 ASN 30 23.081 -9.850 -9.741 220 H LEU 31 H LEU 31 22.430 -4.368 -7.727 221 HA LEU 31 HA LEU 31 20.998 -3.304 -10.013 222 HB2 LEU 31 HB2 LEU 31 19.663 -5.059 -7.960 223 HB3 LEU 31 HB3 LEU 31 18.802 -4.049 -9.119 224 HG LEU 31 HG LEU 31 20.682 -6.251 -9.945 225 HD11 LEU 31 HD11 LEU 31 18.406 -7.399 -10.459 226 HD12 LEU 31 HD12 LEU 31 17.795 -6.343 -9.186 227 HD13 LEU 31 HD13 LEU 31 19.087 -7.491 -8.835 228 HD21 LEU 31 HD21 LEU 31 19.570 -6.064 -12.074 229 HD22 LEU 31 HD22 LEU 31 20.166 -4.475 -11.592 230 HD23 LEU 31 HD23 LEU 31 18.453 -4.862 -11.427 231 H LYS 32 H LYS 32 18.811 -2.248 -8.793 232 HA LYS 32 HA LYS 32 19.931 -0.603 -6.620 233 HB2 LYS 32 HB2 LYS 32 18.115 0.306 -8.861 234 HB3 LYS 32 HB3 LYS 32 18.652 1.306 -7.517 235 HG2 LYS 32 HG2 LYS 32 20.237 1.956 -8.960 236 HG3 LYS 32 HG3 LYS 32 21.028 0.454 -8.477 237 HD2 LYS 32 HD2 LYS 32 20.695 -0.503 -10.483 238 HD3 LYS 32 HD3 LYS 32 19.058 0.143 -10.625 239 HE2 LYS 32 HE2 LYS 32 20.443 2.410 -10.931 240 HE3 LYS 32 HE3 LYS 32 21.640 1.269 -11.541 241 HZ1 LYS 32 HZ1 LYS 32 20.495 1.661 -13.440 242 HZ2 LYS 32 HZ2 LYS 32 19.040 2.005 -12.648 243 HZ3 LYS 32 HZ3 LYS 32 19.537 0.399 -12.847 244 H ILE 33 H ILE 33 18.881 -1.024 -4.798 245 HA ILE 33 HA ILE 33 15.954 -1.289 -4.896 246 HB ILE 33 HB ILE 33 15.911 -3.096 -3.399 247 HG12 ILE 33 HG12 ILE 33 18.846 -2.543 -2.945 248 HG13 ILE 33 HG13 ILE 33 17.536 -2.405 -1.777 249 HG21 ILE 33 HG21 ILE 33 16.689 -3.566 -5.777 250 HG22 ILE 33 HG22 ILE 33 18.296 -3.787 -5.087 251 HG23 ILE 33 HG23 ILE 33 16.968 -4.830 -4.580 252 HD11 ILE 33 HD11 ILE 33 19.057 -4.755 -2.646 253 HD12 ILE 33 HD12 ILE 33 18.269 -4.409 -1.106 254 HD13 ILE 33 HD13 ILE 33 17.321 -5.006 -2.468 255 H CYS 34 H CYS 34 15.039 -1.131 -2.577 256 HA CYS 34 HA CYS 34 16.009 1.352 -1.470 257 HB2 CYS 34 HB2 CYS 34 13.626 -0.403 -0.927 258 HB3 CYS 34 HB3 CYS 34 14.028 0.939 0.139 259 H VAL 35 H VAL 35 16.399 1.652 0.830 260 HA VAL 35 HA VAL 35 17.129 -0.714 2.359 261 HB VAL 35 HB VAL 35 19.165 1.454 1.834 262 HG11 VAL 35 HG11 VAL 35 19.841 0.677 3.853 263 HG12 VAL 35 HG12 VAL 35 19.020 -0.872 3.656 264 HG13 VAL 35 HG13 VAL 35 20.565 -0.583 2.855 265 HG21 VAL 35 HG21 VAL 35 19.017 -1.361 0.760 266 HG22 VAL 35 HG22 VAL 35 18.856 0.128 -0.171 267 HG23 VAL 35 HG23 VAL 35 20.397 -0.278 0.583 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.905 -0.863 -3.219 2 HA2 GLY 1 HA2 GLY 1 1.255 0.651 -1.531 3 HA3 GLY 1 HA3 GLY 1 1.903 -0.452 -0.325 4 H CYS 2 H CYS 2 4.422 -0.818 -0.787 5 HA CYS 2 HA CYS 2 5.786 1.594 -1.598 6 HB2 CYS 2 HB2 CYS 2 6.903 1.910 0.603 7 HB3 CYS 2 HB3 CYS 2 5.174 2.242 0.651 8 H ILE 3 H ILE 3 8.150 1.359 -1.480 9 HA ILE 3 HA ILE 3 8.904 -1.385 -2.084 10 HB ILE 3 HB ILE 3 10.582 1.117 -2.288 11 HG12 ILE 3 HG12 ILE 3 9.754 0.001 -4.811 12 HG13 ILE 3 HG13 ILE 3 8.342 0.359 -3.824 13 HG21 ILE 3 HG21 ILE 3 11.552 -1.335 -2.212 14 HG22 ILE 3 HG22 ILE 3 11.054 -1.332 -3.903 15 HG23 ILE 3 HG23 ILE 3 12.199 -0.124 -3.319 16 HD11 ILE 3 HD11 ILE 3 10.033 2.578 -3.588 17 HD12 ILE 3 HD12 ILE 3 10.021 2.138 -5.297 18 HD13 ILE 3 HD13 ILE 3 8.504 2.466 -4.460 19 H ALA 4 H ALA 4 9.755 -2.671 -0.600 20 HA ALA 4 HA ALA 4 10.649 -1.654 1.936 21 HB1 ALA 4 HB1 ALA 4 10.587 -4.443 0.798 22 HB2 ALA 4 HB2 ALA 4 11.086 -4.053 2.444 23 HB3 ALA 4 HB3 ALA 4 9.436 -3.719 1.920 24 H LYS 5 H LYS 5 12.752 -2.554 2.866 25 HA LYS 5 HA LYS 5 14.905 -1.626 1.219 26 HB2 LYS 5 HB2 LYS 5 16.317 -2.245 3.192 27 HB3 LYS 5 HB3 LYS 5 15.002 -1.137 3.562 28 HG2 LYS 5 HG2 LYS 5 13.907 -3.648 3.978 29 HG3 LYS 5 HG3 LYS 5 15.551 -3.775 4.609 30 HD2 LYS 5 HD2 LYS 5 14.695 -1.319 5.535 31 HD3 LYS 5 HD3 LYS 5 13.253 -2.330 5.661 32 HE2 LYS 5 HE2 LYS 5 14.938 -4.045 6.713 33 HE3 LYS 5 HE3 LYS 5 15.892 -2.596 7.027 34 HZ1 LYS 5 HZ1 LYS 5 14.175 -3.433 8.766 35 HZ2 LYS 5 HZ2 LYS 5 13.053 -2.635 7.783 36 HZ3 LYS 5 HZ3 LYS 5 14.336 -1.775 8.473 37 H ASN 6 H ASN 6 14.307 -3.376 -0.432 38 HA ASN 6 HA ASN 6 16.372 -5.244 -0.573 39 HB2 ASN 6 HB2 ASN 6 14.700 -6.201 1.254 40 HB3 ASN 6 HB3 ASN 6 13.834 -6.763 -0.173 41 HD21 ASN 6 HD21 ASN 6 14.248 -8.908 0.435 42 HD22 ASN 6 HD22 ASN 6 15.800 -9.628 0.195 43 H LYS 7 H LYS 7 13.192 -4.214 -1.538 44 HA LYS 7 HA LYS 7 13.304 -5.609 -4.076 45 HB2 LYS 7 HB2 LYS 7 11.316 -3.514 -3.194 46 HB3 LYS 7 HB3 LYS 7 11.127 -4.680 -4.497 47 HG2 LYS 7 HG2 LYS 7 11.664 -6.090 -2.081 48 HG3 LYS 7 HG3 LYS 7 10.363 -4.932 -1.794 49 HD2 LYS 7 HD2 LYS 7 9.015 -5.867 -3.479 50 HD3 LYS 7 HD3 LYS 7 10.369 -6.754 -4.185 51 HE2 LYS 7 HE2 LYS 7 10.422 -7.868 -1.789 52 HE3 LYS 7 HE3 LYS 7 8.731 -7.371 -1.777 53 HZ1 LYS 7 HZ1 LYS 7 9.957 -9.534 -3.155 54 HZ2 LYS 7 HZ2 LYS 7 9.133 -8.529 -4.237 55 HZ3 LYS 7 HZ3 LYS 7 8.313 -9.208 -2.922 56 H GLU 8 H GLU 8 13.547 -4.659 -6.091 57 HA GLU 8 HA GLU 8 15.315 -2.472 -6.256 58 HB2 GLU 8 HB2 GLU 8 15.317 -2.815 -8.556 59 HB3 GLU 8 HB3 GLU 8 14.897 -4.404 -7.932 60 HG2 GLU 8 HG2 GLU 8 12.520 -3.909 -8.354 61 HG3 GLU 8 HG3 GLU 8 12.993 -2.364 -9.058 62 H CYS 9 H CYS 9 15.012 -0.374 -7.068 63 HA CYS 9 HA CYS 9 12.312 0.603 -7.491 64 HB2 CYS 9 HB2 CYS 9 12.509 2.370 -5.784 65 HB3 CYS 9 HB3 CYS 9 12.527 0.764 -5.064 66 H ALA 10 H ALA 10 12.239 2.360 -8.808 67 HA ALA 10 HA ALA 10 14.796 3.258 -9.908 68 HB1 ALA 10 HB1 ALA 10 12.536 4.370 -11.269 69 HB2 ALA 10 HB2 ALA 10 13.750 3.237 -11.864 70 HB3 ALA 10 HB3 ALA 10 12.305 2.635 -11.052 71 H TRP 11 H TRP 11 15.342 5.441 -10.114 72 HA TRP 11 HA TRP 11 14.651 7.097 -7.950 73 HB2 TRP 11 HB2 TRP 11 16.213 7.447 -10.469 74 HB3 TRP 11 HB3 TRP 11 15.748 8.889 -9.571 75 HD1 TRP 11 HD1 TRP 11 16.419 6.003 -7.310 76 HE1 TRP 11 HE1 TRP 11 18.715 6.281 -6.181 77 HE3 TRP 11 HE3 TRP 11 18.258 9.839 -10.145 78 HZ2 TRP 11 HZ2 TRP 11 21.003 7.911 -6.456 79 HZ3 TRP 11 HZ3 TRP 11 20.508 10.700 -9.647 80 HH2 TRP 11 HH2 TRP 11 21.851 9.755 -7.840 81 H PHE 12 H PHE 12 13.054 6.499 -10.885 82 HA PHE 12 HA PHE 12 11.235 8.743 -10.358 83 HB2 PHE 12 HB2 PHE 12 12.932 8.943 -12.402 84 HB3 PHE 12 HB3 PHE 12 11.702 7.965 -13.196 85 HD1 PHE 12 HD1 PHE 12 12.270 11.150 -11.404 86 HD2 PHE 12 HD2 PHE 12 9.707 8.923 -13.970 87 HE1 PHE 12 HE1 PHE 12 10.944 13.177 -11.833 88 HE2 PHE 12 HE2 PHE 12 8.377 10.946 -14.404 89 HZ PHE 12 HZ PHE 12 8.995 13.077 -13.336 90 H SER 13 H SER 13 11.211 5.810 -9.822 91 HA SER 13 HA SER 13 9.451 4.493 -11.572 92 HB2 SER 13 HB2 SER 13 8.985 3.022 -9.551 93 HB3 SER 13 HB3 SER 13 10.679 3.166 -10.018 94 HG SER 13 HG SER 13 10.505 3.446 -7.800 95 H GLY 14 H GLY 14 8.913 7.017 -9.353 96 HA2 GLY 14 HA2 GLY 14 6.916 8.254 -9.219 97 HA3 GLY 14 HA3 GLY 14 6.046 6.879 -9.885 98 H GLU 15 H GLU 15 7.557 5.170 -7.836 99 HA GLU 15 HA GLU 15 5.647 5.653 -5.663 100 HB2 GLU 15 HB2 GLU 15 6.375 3.291 -4.978 101 HB3 GLU 15 HB3 GLU 15 5.402 3.452 -6.433 102 HG2 GLU 15 HG2 GLU 15 8.287 3.562 -6.899 103 HG3 GLU 15 HG3 GLU 15 7.711 2.033 -6.238 104 H TRP 16 H TRP 16 6.593 4.718 -3.474 105 HA TRP 16 HA TRP 16 9.324 5.737 -3.099 106 HB2 TRP 16 HB2 TRP 16 7.196 6.273 -1.047 107 HB3 TRP 16 HB3 TRP 16 8.747 7.078 -1.271 108 HD1 TRP 16 HD1 TRP 16 8.704 8.177 -4.089 109 HE1 TRP 16 HE1 TRP 16 6.951 9.881 -4.892 110 HE3 TRP 16 HE3 TRP 16 5.054 7.279 -0.625 111 HZ2 TRP 16 HZ2 TRP 16 4.363 10.733 -4.154 112 HZ3 TRP 16 HZ3 TRP 16 2.970 8.582 -0.743 113 HH2 TRP 16 HH2 TRP 16 2.634 10.274 -2.471 114 H CYS 17 H CYS 17 10.398 4.929 -1.189 115 HA CYS 17 HA CYS 17 9.814 2.162 -0.728 116 HB2 CYS 17 HB2 CYS 17 11.831 3.807 0.791 117 HB3 CYS 17 HB3 CYS 17 11.866 2.079 0.454 118 H CYS 18 H CYS 18 9.667 1.222 1.455 119 HA CYS 18 HA CYS 18 7.546 2.394 2.922 120 HB2 CYS 18 HB2 CYS 18 9.384 0.104 3.654 121 HB3 CYS 18 HB3 CYS 18 7.896 0.517 4.501 122 H GLY 19 H GLY 19 7.687 2.652 5.369 123 HA2 GLY 19 HA2 GLY 19 8.436 3.962 7.101 124 HA3 GLY 19 HA3 GLY 19 9.998 3.230 6.765 125 H ALA 20 H ALA 20 11.596 4.505 6.073 126 HA ALA 20 HA ALA 20 11.012 6.969 4.649 127 HB1 ALA 20 HB1 ALA 20 12.062 8.443 6.178 128 HB2 ALA 20 HB2 ALA 20 10.902 7.495 7.109 129 HB3 ALA 20 HB3 ALA 20 12.620 7.108 7.188 130 H LEU 21 H LEU 21 12.295 4.581 3.848 131 HA LEU 21 HA LEU 21 15.145 5.240 3.802 132 HB2 LEU 21 HB2 LEU 21 13.862 2.822 2.571 133 HB3 LEU 21 HB3 LEU 21 15.540 3.042 3.060 134 HG LEU 21 HG LEU 21 13.433 3.124 5.162 135 HD11 LEU 21 HD11 LEU 21 12.870 0.962 5.077 136 HD12 LEU 21 HD12 LEU 21 14.502 0.454 4.643 137 HD13 LEU 21 HD13 LEU 21 13.401 1.041 3.397 138 HD21 LEU 21 HD21 LEU 21 15.189 2.951 6.515 139 HD22 LEU 21 HD22 LEU 21 16.209 3.194 5.097 140 HD23 LEU 21 HD23 LEU 21 15.818 1.559 5.634 141 H SER 22 H SER 22 16.317 5.175 1.768 142 HA SER 22 HA SER 22 14.669 6.165 -0.463 143 HB2 SER 22 HB2 SER 22 17.331 6.960 0.599 144 HB3 SER 22 HB3 SER 22 17.110 7.032 -1.149 145 HG SER 22 HG SER 22 16.370 8.953 -0.542 146 H CYS 23 H CYS 23 16.329 5.998 -2.555 147 HA CYS 23 HA CYS 23 16.642 3.105 -2.886 148 HB2 CYS 23 HB2 CYS 23 16.424 5.360 -4.885 149 HB3 CYS 23 HB3 CYS 23 16.765 3.693 -5.338 150 H LYS 24 H LYS 24 18.598 2.261 -2.710 151 HA LYS 24 HA LYS 24 20.918 3.900 -3.499 152 HB2 LYS 24 HB2 LYS 24 20.955 1.773 -1.360 153 HB3 LYS 24 HB3 LYS 24 22.215 2.941 -1.735 154 HG2 LYS 24 HG2 LYS 24 21.306 3.897 0.123 155 HG3 LYS 24 HG3 LYS 24 20.342 4.678 -1.133 156 HD2 LYS 24 HD2 LYS 24 18.475 3.362 -0.689 157 HD3 LYS 24 HD3 LYS 24 19.426 2.117 0.124 158 HE2 LYS 24 HE2 LYS 24 18.022 3.554 1.633 159 HE3 LYS 24 HE3 LYS 24 19.736 3.486 2.039 160 HZ1 LYS 24 HZ1 LYS 24 20.057 5.641 1.455 161 HZ2 LYS 24 HZ2 LYS 24 18.434 5.752 1.916 162 HZ3 LYS 24 HZ3 LYS 24 18.841 5.642 0.278 163 H TYR 25 H TYR 25 22.713 2.772 -4.403 164 HA TYR 25 HA TYR 25 21.909 0.554 -6.056 165 HB2 TYR 25 HB2 TYR 25 23.305 2.315 -7.001 166 HB3 TYR 25 HB3 TYR 25 24.559 1.993 -5.809 167 HD1 TYR 25 HD2 TYR 25 25.880 -0.095 -5.937 168 HD2 TYR 25 HD1 TYR 25 23.067 0.952 -8.953 169 HE1 TYR 25 HE2 TYR 25 26.911 -1.730 -7.458 170 HE2 TYR 25 HE1 TYR 25 24.090 -0.681 -10.482 171 HH TYR 25 HH TYR 25 27.009 -1.913 -10.171 172 H SER 26 H SER 26 22.334 -1.542 -5.757 173 HA SER 26 HA SER 26 24.028 -2.279 -3.465 174 HB2 SER 26 HB2 SER 26 21.508 -3.402 -4.583 175 HB3 SER 26 HB3 SER 26 22.664 -4.542 -3.895 176 HG SER 26 HG SER 26 22.631 -3.214 -1.983 177 H ILE 27 H ILE 27 26.018 -2.568 -4.332 178 HA ILE 27 HA ILE 27 26.615 -3.582 -6.861 179 HB ILE 27 HB ILE 27 28.400 -3.987 -4.474 180 HG12 ILE 27 HG12 ILE 27 29.148 -1.577 -5.603 181 HG13 ILE 27 HG13 ILE 27 27.390 -1.488 -5.612 182 HG21 ILE 27 HG21 ILE 27 30.108 -4.181 -5.956 183 HG22 ILE 27 HG22 ILE 27 28.799 -4.740 -6.996 184 HG23 ILE 27 HG23 ILE 27 29.373 -3.077 -7.119 185 HD11 ILE 27 HD11 ILE 27 29.280 -1.433 -3.365 186 HD12 ILE 27 HD12 ILE 27 27.699 -0.672 -3.547 187 HD13 ILE 27 HD13 ILE 27 27.812 -2.376 -3.108 188 H LYS 28 H LYS 28 26.325 -5.246 -3.746 189 HA LYS 28 HA LYS 28 27.131 -7.790 -4.575 190 HB2 LYS 28 HB2 LYS 28 25.770 -8.608 -2.633 191 HB3 LYS 28 HB3 LYS 28 26.912 -7.331 -2.237 192 HG2 LYS 28 HG2 LYS 28 25.242 -6.234 -1.288 193 HG3 LYS 28 HG3 LYS 28 24.544 -6.013 -2.894 194 HD2 LYS 28 HD2 LYS 28 22.850 -6.985 -1.547 195 HD3 LYS 28 HD3 LYS 28 23.451 -8.268 -2.601 196 HE2 LYS 28 HE2 LYS 28 23.717 -9.484 -0.751 197 HE3 LYS 28 HE3 LYS 28 25.081 -8.431 -0.376 198 HZ1 LYS 28 HZ1 LYS 28 22.713 -7.159 0.425 199 HZ2 LYS 28 HZ2 LYS 28 23.994 -7.696 1.389 200 HZ3 LYS 28 HZ3 LYS 28 22.701 -8.732 1.048 201 H ARG 29 H ARG 29 24.000 -6.187 -4.757 202 HA ARG 29 HA ARG 29 22.782 -8.567 -5.928 203 HB2 ARG 29 HB2 ARG 29 21.659 -5.899 -5.075 204 HB3 ARG 29 HB3 ARG 29 20.705 -7.113 -5.918 205 HG2 ARG 29 HG2 ARG 29 21.835 -8.523 -3.836 206 HG3 ARG 29 HG3 ARG 29 21.464 -6.951 -3.124 207 HD2 ARG 29 HD2 ARG 29 19.457 -7.977 -2.800 208 HD3 ARG 29 HD3 ARG 29 19.180 -7.325 -4.414 209 HE ARG 29 HE ARG 29 20.295 -9.878 -4.671 210 HH11 ARG 29 HH11 ARG 29 17.364 -8.361 -3.563 211 HH12 ARG 29 HH12 ARG 29 16.361 -9.722 -3.942 212 HH21 ARG 29 HH21 ARG 29 18.986 -11.677 -5.174 213 HH22 ARG 29 HH22 ARG 29 17.286 -11.608 -4.857 214 H ASN 30 H ASN 30 24.726 -6.299 -7.082 215 HA ASN 30 HA ASN 30 25.002 -5.168 -9.060 216 HB2 ASN 30 HB2 ASN 30 24.715 -6.612 -11.032 217 HB3 ASN 30 HB3 ASN 30 25.473 -7.484 -9.703 218 HD21 ASN 30 HD21 ASN 30 24.696 -9.415 -9.293 219 HD22 ASN 30 HD22 ASN 30 23.117 -9.987 -9.699 220 H LEU 31 H LEU 31 22.572 -4.469 -7.747 221 HA LEU 31 HA LEU 31 21.124 -3.417 -10.028 222 HB2 LEU 31 HB2 LEU 31 19.792 -5.121 -7.930 223 HB3 LEU 31 HB3 LEU 31 18.930 -4.114 -9.092 224 HG LEU 31 HG LEU 31 20.766 -6.354 -9.916 225 HD11 LEU 31 HD11 LEU 31 18.462 -7.476 -10.374 226 HD12 LEU 31 HD12 LEU 31 17.896 -6.400 -9.097 227 HD13 LEU 31 HD13 LEU 31 19.180 -7.563 -8.766 228 HD21 LEU 31 HD21 LEU 31 18.544 -5.686 -11.641 229 HD22 LEU 31 HD22 LEU 31 20.268 -5.767 -12.003 230 HD23 LEU 31 HD23 LEU 31 19.574 -4.287 -11.339 231 H LYS 32 H LYS 32 18.972 -2.308 -8.796 232 HA LYS 32 HA LYS 32 20.144 -0.653 -6.658 233 HB2 LYS 32 HB2 LYS 32 18.274 0.292 -8.838 234 HB3 LYS 32 HB3 LYS 32 18.973 1.284 -7.565 235 HG2 LYS 32 HG2 LYS 32 20.448 1.800 -9.183 236 HG3 LYS 32 HG3 LYS 32 21.221 0.307 -8.646 237 HD2 LYS 32 HD2 LYS 32 20.821 -0.704 -10.596 238 HD3 LYS 32 HD3 LYS 32 19.134 -0.186 -10.601 239 HE2 LYS 32 HE2 LYS 32 21.316 1.757 -11.247 240 HE3 LYS 32 HE3 LYS 32 20.735 0.633 -12.475 241 HZ1 LYS 32 HZ1 LYS 32 19.576 2.758 -12.568 242 HZ2 LYS 32 HZ2 LYS 32 19.045 2.561 -10.974 243 HZ3 LYS 32 HZ3 LYS 32 18.509 1.503 -12.181 244 H ILE 33 H ILE 33 19.108 -1.057 -4.824 245 HA ILE 33 HA ILE 33 16.174 -1.262 -4.891 246 HB ILE 33 HB ILE 33 16.114 -3.047 -3.370 247 HG12 ILE 33 HG12 ILE 33 19.043 -2.480 -2.921 248 HG13 ILE 33 HG13 ILE 33 17.733 -2.402 -1.749 249 HG21 ILE 33 HG21 ILE 33 18.488 -3.843 -5.018 250 HG22 ILE 33 HG22 ILE 33 17.085 -4.804 -4.554 251 HG23 ILE 33 HG23 ILE 33 16.920 -3.530 -5.762 252 HD11 ILE 33 HD11 ILE 33 17.487 -4.926 -2.199 253 HD12 ILE 33 HD12 ILE 33 19.107 -4.796 -2.883 254 HD13 ILE 33 HD13 ILE 33 18.824 -4.360 -1.198 255 H CYS 34 H CYS 34 15.300 -1.082 -2.543 256 HA CYS 34 HA CYS 34 16.360 1.394 -1.471 257 HB2 CYS 34 HB2 CYS 34 13.872 -0.220 -0.960 258 HB3 CYS 34 HB3 CYS 34 14.326 1.114 0.096 259 H VAL 35 H VAL 35 16.678 1.686 0.855 260 HA VAL 35 HA VAL 35 17.267 -0.709 2.399 261 HB VAL 35 HB VAL 35 19.407 1.375 1.957 262 HG11 VAL 35 HG11 VAL 35 20.294 -1.156 2.987 263 HG12 VAL 35 HG12 VAL 35 20.470 0.458 3.679 264 HG13 VAL 35 HG13 VAL 35 19.021 -0.492 4.011 265 HG21 VAL 35 HG21 VAL 35 19.168 -1.409 0.820 266 HG22 VAL 35 HG22 VAL 35 19.099 0.104 -0.083 267 HG23 VAL 35 HG23 VAL 35 20.599 -0.384 0.705 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.978 -1.892 -0.902 2 HA2 GLY 1 HA2 GLY 1 1.982 -0.434 -2.690 3 HA3 GLY 1 HA3 GLY 1 1.205 0.757 -1.658 4 H CYS 2 H CYS 2 4.154 -0.668 -0.569 5 HA CYS 2 HA CYS 2 5.680 1.673 -1.477 6 HB2 CYS 2 HB2 CYS 2 6.725 1.858 0.747 7 HB3 CYS 2 HB3 CYS 2 4.986 2.124 0.821 8 H ILE 3 H ILE 3 8.007 1.368 -1.428 9 HA ILE 3 HA ILE 3 8.710 -1.367 -2.126 10 HB ILE 3 HB ILE 3 10.384 1.142 -2.295 11 HG12 ILE 3 HG12 ILE 3 9.449 -0.127 -4.772 12 HG13 ILE 3 HG13 ILE 3 8.155 0.542 -3.785 13 HG21 ILE 3 HG21 ILE 3 11.875 -0.136 -3.684 14 HG22 ILE 3 HG22 ILE 3 11.657 -0.979 -2.151 15 HG23 ILE 3 HG23 ILE 3 10.815 -1.543 -3.595 16 HD11 ILE 3 HD11 ILE 3 10.238 2.454 -3.891 17 HD12 ILE 3 HD12 ILE 3 9.928 1.886 -5.532 18 HD13 ILE 3 HD13 ILE 3 8.612 2.553 -4.566 19 H ALA 4 H ALA 4 9.576 -2.711 -0.704 20 HA ALA 4 HA ALA 4 10.512 -1.786 1.854 21 HB1 ALA 4 HB1 ALA 4 10.989 -4.592 1.068 22 HB2 ALA 4 HB2 ALA 4 10.291 -3.926 2.545 23 HB3 ALA 4 HB3 ALA 4 9.309 -4.057 1.087 24 H LYS 5 H LYS 5 12.615 -2.666 2.737 25 HA LYS 5 HA LYS 5 14.755 -1.749 1.077 26 HB2 LYS 5 HB2 LYS 5 16.187 -2.409 3.017 27 HB3 LYS 5 HB3 LYS 5 14.877 -1.313 3.433 28 HG2 LYS 5 HG2 LYS 5 13.773 -3.813 3.814 29 HG3 LYS 5 HG3 LYS 5 15.434 -3.993 4.385 30 HD2 LYS 5 HD2 LYS 5 14.711 -1.576 5.449 31 HD3 LYS 5 HD3 LYS 5 13.200 -2.485 5.529 32 HE2 LYS 5 HE2 LYS 5 14.253 -2.963 7.556 33 HE3 LYS 5 HE3 LYS 5 14.615 -4.365 6.550 34 HZ1 LYS 5 HZ1 LYS 5 16.468 -2.070 6.827 35 HZ2 LYS 5 HZ2 LYS 5 16.798 -3.598 6.181 36 HZ3 LYS 5 HZ3 LYS 5 16.529 -3.422 7.842 37 H ASN 6 H ASN 6 14.114 -3.462 -0.599 38 HA ASN 6 HA ASN 6 16.161 -5.351 -0.796 39 HB2 ASN 6 HB2 ASN 6 14.820 -6.466 1.014 40 HB3 ASN 6 HB3 ASN 6 13.500 -6.630 -0.140 41 HD21 ASN 6 HD21 ASN 6 13.983 -8.922 0.622 42 HD22 ASN 6 HD22 ASN 6 15.078 -9.830 -0.359 43 H LYS 7 H LYS 7 13.006 -4.230 -1.727 44 HA LYS 7 HA LYS 7 13.079 -5.576 -4.295 45 HB2 LYS 7 HB2 LYS 7 11.131 -3.495 -3.289 46 HB3 LYS 7 HB3 LYS 7 10.923 -4.531 -4.694 47 HG2 LYS 7 HG2 LYS 7 11.416 -6.198 -2.457 48 HG3 LYS 7 HG3 LYS 7 10.183 -5.019 -2.001 49 HD2 LYS 7 HD2 LYS 7 8.771 -5.671 -3.790 50 HD3 LYS 7 HD3 LYS 7 10.057 -6.609 -4.555 51 HE2 LYS 7 HE2 LYS 7 10.012 -8.217 -2.761 52 HE3 LYS 7 HE3 LYS 7 8.855 -7.238 -1.861 53 HZ1 LYS 7 HZ1 LYS 7 7.182 -8.142 -2.975 54 HZ2 LYS 7 HZ2 LYS 7 8.276 -9.245 -3.646 55 HZ3 LYS 7 HZ3 LYS 7 7.897 -7.819 -4.474 56 H GLU 8 H GLU 8 13.221 -4.539 -6.305 57 HA GLU 8 HA GLU 8 15.147 -2.577 -6.586 58 HB2 GLU 8 HB2 GLU 8 14.674 -2.582 -8.871 59 HB3 GLU 8 HB3 GLU 8 14.138 -4.171 -8.345 60 HG2 GLU 8 HG2 GLU 8 11.827 -3.310 -8.220 61 HG3 GLU 8 HG3 GLU 8 12.399 -1.771 -8.859 62 H CYS 9 H CYS 9 15.063 -0.368 -7.182 63 HA CYS 9 HA CYS 9 12.549 1.056 -6.903 64 HB2 CYS 9 HB2 CYS 9 13.334 0.885 -4.583 65 HB3 CYS 9 HB3 CYS 9 14.879 1.590 -5.048 66 H ALA 10 H ALA 10 12.575 2.189 -8.732 67 HA ALA 10 HA ALA 10 15.040 3.177 -9.869 68 HB1 ALA 10 HB1 ALA 10 12.820 2.297 -11.034 69 HB2 ALA 10 HB2 ALA 10 12.420 4.014 -10.975 70 HB3 ALA 10 HB3 ALA 10 13.882 3.477 -11.802 71 H TRP 11 H TRP 11 15.616 5.328 -10.160 72 HA TRP 11 HA TRP 11 14.961 7.099 -8.070 73 HB2 TRP 11 HB2 TRP 11 16.533 7.299 -10.601 74 HB3 TRP 11 HB3 TRP 11 16.105 8.787 -9.761 75 HD1 TRP 11 HD1 TRP 11 16.697 5.996 -7.371 76 HE1 TRP 11 HE1 TRP 11 19.005 6.254 -6.262 77 HE3 TRP 11 HE3 TRP 11 18.650 9.624 -10.397 78 HZ2 TRP 11 HZ2 TRP 11 21.344 7.793 -6.622 79 HZ3 TRP 11 HZ3 TRP 11 20.929 10.435 -9.946 80 HH2 TRP 11 HH2 TRP 11 22.246 9.537 -8.097 81 H PHE 12 H PHE 12 13.334 6.367 -10.946 82 HA PHE 12 HA PHE 12 11.589 8.698 -10.568 83 HB2 PHE 12 HB2 PHE 12 13.268 8.687 -12.638 84 HB3 PHE 12 HB3 PHE 12 11.995 7.696 -13.344 85 HD1 PHE 12 HD2 PHE 12 12.661 10.975 -11.755 86 HD2 PHE 12 HD1 PHE 12 10.058 8.671 -14.211 87 HE1 PHE 12 HE2 PHE 12 11.399 13.010 -12.320 88 HE2 PHE 12 HE1 PHE 12 8.792 10.703 -14.781 89 HZ PHE 12 HZ PHE 12 9.461 12.876 -13.834 90 H SER 13 H SER 13 11.528 5.767 -9.874 91 HA SER 13 HA SER 13 9.709 4.383 -11.478 92 HB2 SER 13 HB2 SER 13 9.211 3.076 -9.379 93 HB3 SER 13 HB3 SER 13 10.924 3.196 -9.782 94 HG SER 13 HG SER 13 10.995 3.810 -7.747 95 H GLY 14 H GLY 14 9.233 7.016 -9.311 96 HA2 GLY 14 HA2 GLY 14 7.299 8.351 -9.253 97 HA3 GLY 14 HA3 GLY 14 6.391 7.028 -9.970 98 H GLU 15 H GLU 15 7.748 5.252 -7.851 99 HA GLU 15 HA GLU 15 5.750 5.800 -5.775 100 HB2 GLU 15 HB2 GLU 15 6.362 3.410 -5.064 101 HB3 GLU 15 HB3 GLU 15 5.455 3.611 -6.556 102 HG2 GLU 15 HG2 GLU 15 7.395 3.240 -7.880 103 HG3 GLU 15 HG3 GLU 15 8.443 3.303 -6.464 104 H TRP 16 H TRP 16 6.570 4.787 -3.552 105 HA TRP 16 HA TRP 16 9.293 5.772 -3.039 106 HB2 TRP 16 HB2 TRP 16 7.054 6.221 -1.078 107 HB3 TRP 16 HB3 TRP 16 8.631 7.002 -1.145 108 HD1 TRP 16 HD1 TRP 16 8.785 8.214 -3.936 109 HE1 TRP 16 HE1 TRP 16 7.136 10.017 -4.743 110 HE3 TRP 16 HE3 TRP 16 4.941 7.311 -0.688 111 HZ2 TRP 16 HZ2 TRP 16 4.548 10.936 -4.089 112 HZ3 TRP 16 HZ3 TRP 16 2.915 8.698 -0.845 113 HH2 TRP 16 HH2 TRP 16 2.724 10.473 -2.511 114 H CYS 17 H CYS 17 10.258 4.927 -1.059 115 HA CYS 17 HA CYS 17 9.656 2.127 -0.743 116 HB2 CYS 17 HB2 CYS 17 11.687 3.730 0.811 117 HB3 CYS 17 HB3 CYS 17 11.680 1.994 0.515 118 H CYS 18 H CYS 18 9.645 1.178 1.514 119 HA CYS 18 HA CYS 18 7.469 2.336 2.967 120 HB2 CYS 18 HB2 CYS 18 9.225 -0.008 3.725 121 HB3 CYS 18 HB3 CYS 18 7.653 0.385 4.414 122 H GLY 19 H GLY 19 7.629 2.452 5.439 123 HA2 GLY 19 HA2 GLY 19 8.421 3.645 7.235 124 HA3 GLY 19 HA3 GLY 19 9.975 2.933 6.825 125 H ALA 20 H ALA 20 11.560 4.239 6.151 126 HA ALA 20 HA ALA 20 10.943 6.791 4.907 127 HB1 ALA 20 HB1 ALA 20 11.286 8.078 6.679 128 HB2 ALA 20 HB2 ALA 20 11.460 6.636 7.679 129 HB3 ALA 20 HB3 ALA 20 12.878 7.359 6.920 130 H LEU 21 H LEU 21 12.297 4.269 4.187 131 HA LEU 21 HA LEU 21 15.099 5.020 3.967 132 HB2 LEU 21 HB2 LEU 21 13.844 2.609 2.706 133 HB3 LEU 21 HB3 LEU 21 15.510 2.840 3.232 134 HG LEU 21 HG LEU 21 13.459 2.917 5.355 135 HD11 LEU 21 HD11 LEU 21 14.258 0.194 4.569 136 HD12 LEU 21 HD12 LEU 21 13.061 0.974 3.536 137 HD13 LEU 21 HD13 LEU 21 12.746 0.782 5.260 138 HD21 LEU 21 HD21 LEU 21 15.684 1.103 5.663 139 HD22 LEU 21 HD22 LEU 21 15.243 2.517 6.620 140 HD23 LEU 21 HD23 LEU 21 16.227 2.706 5.168 141 H SER 22 H SER 22 16.201 4.997 1.893 142 HA SER 22 HA SER 22 14.461 5.985 -0.270 143 HB2 SER 22 HB2 SER 22 16.134 7.600 0.743 144 HB3 SER 22 HB3 SER 22 17.405 6.583 0.065 145 HG SER 22 HG SER 22 17.100 7.895 -1.578 146 H CYS 23 H CYS 23 16.180 5.915 -2.378 147 HA CYS 23 HA CYS 23 16.472 3.030 -2.800 148 HB2 CYS 23 HB2 CYS 23 16.607 5.184 -4.908 149 HB3 CYS 23 HB3 CYS 23 16.313 3.463 -5.136 150 H LYS 24 H LYS 24 18.422 2.175 -2.612 151 HA LYS 24 HA LYS 24 20.760 3.823 -3.323 152 HB2 LYS 24 HB2 LYS 24 20.694 1.639 -1.237 153 HB3 LYS 24 HB3 LYS 24 22.038 2.713 -1.599 154 HG2 LYS 24 HG2 LYS 24 21.175 3.675 0.295 155 HG3 LYS 24 HG3 LYS 24 20.350 4.592 -0.968 156 HD2 LYS 24 HD2 LYS 24 18.328 3.561 -0.582 157 HD3 LYS 24 HD3 LYS 24 19.076 2.110 0.089 158 HE2 LYS 24 HE2 LYS 24 17.947 3.392 1.827 159 HE3 LYS 24 HE3 LYS 24 19.688 3.356 2.102 160 HZ1 LYS 24 HZ1 LYS 24 19.101 5.594 0.534 161 HZ2 LYS 24 HZ2 LYS 24 19.688 5.555 2.120 162 HZ3 LYS 24 HZ3 LYS 24 18.020 5.590 1.835 163 H TYR 25 H TYR 25 22.556 2.723 -4.255 164 HA TYR 25 HA TYR 25 21.758 0.572 -5.998 165 HB2 TYR 25 HB2 TYR 25 23.172 2.363 -6.860 166 HB3 TYR 25 HB3 TYR 25 24.413 1.986 -5.671 167 HD1 TYR 25 HD2 TYR 25 25.753 -0.069 -5.885 168 HD2 TYR 25 HD1 TYR 25 22.914 1.046 -8.852 169 HE1 TYR 25 HE2 TYR 25 26.788 -1.649 -7.461 170 HE2 TYR 25 HE1 TYR 25 23.941 -0.532 -10.435 171 HH TYR 25 HH TYR 25 25.319 -2.476 -10.464 172 H SER 26 H SER 26 22.215 -1.536 -5.811 173 HA SER 26 HA SER 26 23.864 -2.369 -3.517 174 HB2 SER 26 HB2 SER 26 21.359 -3.443 -4.715 175 HB3 SER 26 HB3 SER 26 22.507 -4.611 -4.060 176 HG SER 26 HG SER 26 21.747 -4.100 -2.182 177 H ILE 27 H ILE 27 25.865 -2.613 -4.375 178 HA ILE 27 HA ILE 27 26.493 -3.526 -6.935 179 HB ILE 27 HB ILE 27 28.254 -4.019 -4.546 180 HG12 ILE 27 HG12 ILE 27 29.006 -1.564 -5.571 181 HG13 ILE 27 HG13 ILE 27 27.248 -1.480 -5.595 182 HG21 ILE 27 HG21 ILE 27 28.844 -3.328 -7.421 183 HG22 ILE 27 HG22 ILE 27 30.047 -3.576 -6.157 184 HG23 ILE 27 HG23 ILE 27 29.022 -4.915 -6.673 185 HD11 ILE 27 HD11 ILE 27 29.113 -1.518 -3.325 186 HD12 ILE 27 HD12 ILE 27 27.540 -0.740 -3.498 187 HD13 ILE 27 HD13 ILE 27 27.636 -2.461 -3.125 188 H LYS 28 H LYS 28 26.165 -5.310 -3.891 189 HA LYS 28 HA LYS 28 26.983 -7.820 -4.830 190 HB2 LYS 28 HB2 LYS 28 24.877 -7.364 -2.717 191 HB3 LYS 28 HB3 LYS 28 25.970 -8.733 -2.868 192 HG2 LYS 28 HG2 LYS 28 27.211 -7.682 -1.347 193 HG3 LYS 28 HG3 LYS 28 27.705 -6.628 -2.674 194 HD2 LYS 28 HD2 LYS 28 26.946 -4.975 -1.354 195 HD3 LYS 28 HD3 LYS 28 25.353 -5.483 -1.919 196 HE2 LYS 28 HE2 LYS 28 25.201 -7.004 0.033 197 HE3 LYS 28 HE3 LYS 28 26.740 -6.366 0.610 198 HZ1 LYS 28 HZ1 LYS 28 24.613 -4.451 0.015 199 HZ2 LYS 28 HZ2 LYS 28 25.808 -4.400 1.210 200 HZ3 LYS 28 HZ3 LYS 28 24.450 -5.388 1.414 201 H ARG 29 H ARG 29 23.840 -6.223 -4.887 202 HA ARG 29 HA ARG 29 22.601 -8.548 -6.133 203 HB2 ARG 29 HB2 ARG 29 21.489 -5.880 -5.255 204 HB3 ARG 29 HB3 ARG 29 20.531 -7.123 -6.050 205 HG2 ARG 29 HG2 ARG 29 21.776 -8.440 -3.944 206 HG3 ARG 29 HG3 ARG 29 21.298 -6.876 -3.282 207 HD2 ARG 29 HD2 ARG 29 19.016 -7.229 -4.016 208 HD3 ARG 29 HD3 ARG 29 19.474 -8.749 -4.784 209 HE ARG 29 HE ARG 29 20.062 -8.649 -1.972 210 HH11 ARG 29 HH11 ARG 29 17.639 -9.358 -4.369 211 HH12 ARG 29 HH12 ARG 29 16.747 -10.429 -3.340 212 HH21 ARG 29 HH21 ARG 29 18.896 -10.056 -0.607 213 HH22 ARG 29 HH22 ARG 29 17.462 -10.824 -1.199 214 H ASN 30 H ASN 30 24.555 -6.259 -7.239 215 HA ASN 30 HA ASN 30 24.828 -5.082 -9.189 216 HB2 ASN 30 HB2 ASN 30 24.527 -6.476 -11.195 217 HB3 ASN 30 HB3 ASN 30 25.287 -7.383 -9.891 218 HD21 ASN 30 HD21 ASN 30 24.505 -9.322 -9.528 219 HD22 ASN 30 HD22 ASN 30 22.921 -9.876 -9.940 220 H LEU 31 H LEU 31 22.403 -4.411 -7.847 221 HA LEU 31 HA LEU 31 20.952 -3.293 -10.095 222 HB2 LEU 31 HB2 LEU 31 19.621 -5.050 -8.041 223 HB3 LEU 31 HB3 LEU 31 18.758 -4.009 -9.171 224 HG LEU 31 HG LEU 31 20.584 -6.231 -10.063 225 HD11 LEU 31 HD11 LEU 31 18.995 -7.461 -8.936 226 HD12 LEU 31 HD12 LEU 31 18.281 -7.338 -10.543 227 HD13 LEU 31 HD13 LEU 31 17.713 -6.289 -9.244 228 HD21 LEU 31 HD21 LEU 31 19.471 -4.128 -11.441 229 HD22 LEU 31 HD22 LEU 31 18.330 -5.441 -11.729 230 HD23 LEU 31 HD23 LEU 31 20.033 -5.644 -12.145 231 H LYS 32 H LYS 32 18.805 -2.215 -8.823 232 HA LYS 32 HA LYS 32 19.989 -0.621 -6.646 233 HB2 LYS 32 HB2 LYS 32 18.292 0.301 -8.966 234 HB3 LYS 32 HB3 LYS 32 18.570 1.283 -7.533 235 HG2 LYS 32 HG2 LYS 32 20.212 2.098 -8.871 236 HG3 LYS 32 HG3 LYS 32 21.097 0.773 -8.110 237 HD2 LYS 32 HD2 LYS 32 21.532 0.679 -10.455 238 HD3 LYS 32 HD3 LYS 32 20.452 -0.661 -10.061 239 HE2 LYS 32 HE2 LYS 32 18.618 0.365 -11.060 240 HE3 LYS 32 HE3 LYS 32 19.352 1.967 -10.987 241 HZ1 LYS 32 HZ1 LYS 32 19.250 0.707 -13.226 242 HZ2 LYS 32 HZ2 LYS 32 20.592 -0.134 -12.633 243 HZ3 LYS 32 HZ3 LYS 32 20.660 1.547 -12.814 244 H ILE 33 H ILE 33 18.956 -1.071 -4.821 245 HA ILE 33 HA ILE 33 16.021 -1.257 -4.882 246 HB ILE 33 HB ILE 33 15.951 -3.094 -3.430 247 HG12 ILE 33 HG12 ILE 33 18.890 -2.585 -2.967 248 HG13 ILE 33 HG13 ILE 33 17.582 -2.494 -1.793 249 HG21 ILE 33 HG21 ILE 33 18.307 -3.768 -5.172 250 HG22 ILE 33 HG22 ILE 33 17.011 -4.833 -4.630 251 HG23 ILE 33 HG23 ILE 33 16.674 -3.563 -5.805 252 HD11 ILE 33 HD11 ILE 33 18.995 -4.862 -2.884 253 HD12 ILE 33 HD12 ILE 33 18.491 -4.501 -1.233 254 HD13 ILE 33 HD13 ILE 33 17.302 -5.033 -2.421 255 H CYS 34 H CYS 34 15.139 -1.119 -2.551 256 HA CYS 34 HA CYS 34 16.193 1.314 -1.406 257 HB2 CYS 34 HB2 CYS 34 13.778 -0.388 -0.806 258 HB3 CYS 34 HB3 CYS 34 14.217 1.001 0.183 259 H VAL 35 H VAL 35 16.620 1.557 0.892 260 HA VAL 35 HA VAL 35 17.272 -0.857 2.377 261 HB VAL 35 HB VAL 35 19.392 1.226 1.837 262 HG11 VAL 35 HG11 VAL 35 20.685 -0.920 2.841 263 HG12 VAL 35 HG12 VAL 35 20.114 0.432 3.820 264 HG13 VAL 35 HG13 VAL 35 19.151 -1.041 3.702 265 HG21 VAL 35 HG21 VAL 35 20.535 -0.540 0.566 266 HG22 VAL 35 HG22 VAL 35 19.134 -1.590 0.780 267 HG23 VAL 35 HG23 VAL 35 18.987 -0.104 -0.158 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.598 0.105 -3.704 2 HA2 GLY 1 HA2 GLY 1 1.773 -0.624 -1.046 3 HA3 GLY 1 HA3 GLY 1 2.658 -1.858 -1.929 4 H CYS 2 H CYS 2 4.584 -1.204 -0.868 5 HA CYS 2 HA CYS 2 5.803 1.157 -2.113 6 HB2 CYS 2 HB2 CYS 2 6.940 1.659 0.062 7 HB3 CYS 2 HB3 CYS 2 5.198 1.918 0.086 8 H ILE 3 H ILE 3 8.228 1.138 -1.822 9 HA ILE 3 HA ILE 3 9.189 -1.539 -2.436 10 HB ILE 3 HB ILE 3 10.774 1.025 -2.500 11 HG12 ILE 3 HG12 ILE 3 10.088 0.250 -5.118 12 HG13 ILE 3 HG13 ILE 3 8.594 0.175 -4.190 13 HG21 ILE 3 HG21 ILE 3 12.300 -0.142 -3.876 14 HG22 ILE 3 HG22 ILE 3 11.947 -1.212 -2.520 15 HG23 ILE 3 HG23 ILE 3 11.188 -1.495 -4.087 16 HD11 ILE 3 HD11 ILE 3 9.296 2.375 -5.380 17 HD12 ILE 3 HD12 ILE 3 8.594 2.430 -3.763 18 HD13 ILE 3 HD13 ILE 3 10.338 2.580 -3.972 19 H ALA 4 H ALA 4 9.859 -2.775 -0.816 20 HA ALA 4 HA ALA 4 10.732 -1.670 1.692 21 HB1 ALA 4 HB1 ALA 4 9.631 -4.087 0.876 22 HB2 ALA 4 HB2 ALA 4 11.271 -4.492 1.385 23 HB3 ALA 4 HB3 ALA 4 10.181 -3.668 2.499 24 H LYS 5 H LYS 5 12.768 -2.834 2.683 25 HA LYS 5 HA LYS 5 15.009 -1.920 1.152 26 HB2 LYS 5 HB2 LYS 5 14.958 -1.668 3.583 27 HB3 LYS 5 HB3 LYS 5 14.890 -3.414 3.779 28 HG2 LYS 5 HG2 LYS 5 17.150 -2.751 2.170 29 HG3 LYS 5 HG3 LYS 5 17.165 -1.762 3.632 30 HD2 LYS 5 HD2 LYS 5 16.554 -4.651 3.933 31 HD3 LYS 5 HD3 LYS 5 18.219 -4.204 3.554 32 HE2 LYS 5 HE2 LYS 5 18.444 -2.946 5.518 33 HE3 LYS 5 HE3 LYS 5 16.702 -2.876 5.777 34 HZ1 LYS 5 HZ1 LYS 5 17.915 -4.438 7.263 35 HZ2 LYS 5 HZ2 LYS 5 18.278 -5.385 5.910 36 HZ3 LYS 5 HZ3 LYS 5 16.668 -5.159 6.376 37 H ASN 6 H ASN 6 14.360 -3.500 -0.640 38 HA ASN 6 HA ASN 6 16.319 -5.431 -0.944 39 HB2 ASN 6 HB2 ASN 6 15.401 -6.864 0.664 40 HB3 ASN 6 HB3 ASN 6 13.746 -6.480 0.199 41 HD21 ASN 6 HD21 ASN 6 12.911 -8.365 -0.390 42 HD22 ASN 6 HD22 ASN 6 13.581 -9.430 -1.574 43 H LYS 7 H LYS 7 13.175 -4.213 -1.745 44 HA LYS 7 HA LYS 7 13.110 -5.502 -4.340 45 HB2 LYS 7 HB2 LYS 7 11.291 -3.364 -3.220 46 HB3 LYS 7 HB3 LYS 7 10.994 -4.343 -4.650 47 HG2 LYS 7 HG2 LYS 7 11.483 -6.083 -2.454 48 HG3 LYS 7 HG3 LYS 7 10.282 -4.882 -1.972 49 HD2 LYS 7 HD2 LYS 7 9.134 -5.420 -4.201 50 HD3 LYS 7 HD3 LYS 7 10.170 -6.848 -4.241 51 HE2 LYS 7 HE2 LYS 7 9.284 -7.482 -2.009 52 HE3 LYS 7 HE3 LYS 7 8.172 -6.117 -2.102 53 HZ1 LYS 7 HZ1 LYS 7 7.844 -8.686 -3.152 54 HZ2 LYS 7 HZ2 LYS 7 7.940 -7.615 -4.457 55 HZ3 LYS 7 HZ3 LYS 7 6.780 -7.373 -3.250 56 H GLU 8 H GLU 8 13.318 -4.474 -6.326 57 HA GLU 8 HA GLU 8 15.278 -2.540 -6.594 58 HB2 GLU 8 HB2 GLU 8 14.763 -2.481 -8.898 59 HB3 GLU 8 HB3 GLU 8 14.363 -4.110 -8.372 60 HG2 GLU 8 HG2 GLU 8 11.990 -3.405 -8.187 61 HG3 GLU 8 HG3 GLU 8 12.445 -1.849 -8.879 62 H CYS 9 H CYS 9 15.133 -0.344 -7.435 63 HA CYS 9 HA CYS 9 12.646 1.086 -6.983 64 HB2 CYS 9 HB2 CYS 9 13.617 2.679 -5.412 65 HB3 CYS 9 HB3 CYS 9 13.710 1.048 -4.756 66 H ALA 10 H ALA 10 12.456 2.874 -8.237 67 HA ALA 10 HA ALA 10 14.810 3.617 -9.850 68 HB1 ALA 10 HB1 ALA 10 12.116 2.897 -10.617 69 HB2 ALA 10 HB2 ALA 10 12.572 4.482 -11.244 70 HB3 ALA 10 HB3 ALA 10 13.564 3.070 -11.610 71 H TRP 11 H TRP 11 15.264 5.769 -10.172 72 HA TRP 11 HA TRP 11 14.522 7.581 -8.159 73 HB2 TRP 11 HB2 TRP 11 15.976 7.824 -10.767 74 HB3 TRP 11 HB3 TRP 11 15.519 9.284 -9.894 75 HD1 TRP 11 HD1 TRP 11 16.386 6.495 -7.577 76 HE1 TRP 11 HE1 TRP 11 18.730 6.871 -6.582 77 HE3 TRP 11 HE3 TRP 11 17.968 10.278 -10.632 78 HZ2 TRP 11 HZ2 TRP 11 20.954 8.550 -7.032 79 HZ3 TRP 11 HZ3 TRP 11 20.217 11.213 -10.282 80 HH2 TRP 11 HH2 TRP 11 21.677 10.366 -8.519 81 H PHE 12 H PHE 12 12.914 6.649 -11.005 82 HA PHE 12 HA PHE 12 11.012 8.864 -10.659 83 HB2 PHE 12 HB2 PHE 12 12.634 8.852 -12.778 84 HB3 PHE 12 HB3 PHE 12 11.401 7.758 -13.396 85 HD1 PHE 12 HD2 PHE 12 11.898 11.135 -11.950 86 HD2 PHE 12 HD1 PHE 12 9.408 8.584 -14.276 87 HE1 PHE 12 HE2 PHE 12 10.502 13.065 -12.567 88 HE2 PHE 12 HE1 PHE 12 8.009 10.510 -14.897 89 HZ PHE 12 HZ PHE 12 8.554 12.754 -14.041 90 H SER 13 H SER 13 11.152 5.980 -9.816 91 HA SER 13 HA SER 13 9.386 4.405 -11.303 92 HB2 SER 13 HB2 SER 13 9.368 2.935 -9.484 93 HB3 SER 13 HB3 SER 13 10.902 3.780 -9.285 94 HG SER 13 HG SER 13 10.183 4.664 -7.510 95 H GLY 14 H GLY 14 8.801 7.132 -9.308 96 HA2 GLY 14 HA2 GLY 14 6.775 8.329 -9.275 97 HA3 GLY 14 HA3 GLY 14 5.938 6.883 -9.823 98 H GLU 15 H GLU 15 7.348 5.281 -7.711 99 HA GLU 15 HA GLU 15 5.566 6.046 -5.504 100 HB2 GLU 15 HB2 GLU 15 6.015 3.651 -4.744 101 HB3 GLU 15 HB3 GLU 15 5.043 3.858 -6.194 102 HG2 GLU 15 HG2 GLU 15 6.724 3.107 -7.590 103 HG3 GLU 15 HG3 GLU 15 7.992 3.446 -6.412 104 H TRP 16 H TRP 16 6.560 4.919 -3.350 105 HA TRP 16 HA TRP 16 9.357 5.798 -3.118 106 HB2 TRP 16 HB2 TRP 16 7.344 6.323 -0.941 107 HB3 TRP 16 HB3 TRP 16 8.944 7.029 -1.149 108 HD1 TRP 16 HD1 TRP 16 8.873 8.239 -3.960 109 HE1 TRP 16 HE1 TRP 16 7.254 10.140 -4.583 110 HE3 TRP 16 HE3 TRP 16 5.363 7.546 -0.308 111 HZ2 TRP 16 HZ2 TRP 16 4.812 11.206 -3.650 112 HZ3 TRP 16 HZ3 TRP 16 3.416 9.049 -0.244 113 HH2 TRP 16 HH2 TRP 16 3.148 10.841 -1.881 114 H CYS 17 H CYS 17 10.485 4.902 -1.247 115 HA CYS 17 HA CYS 17 9.939 2.119 -0.948 116 HB2 CYS 17 HB2 CYS 17 11.887 3.725 0.702 117 HB3 CYS 17 HB3 CYS 17 11.960 2.012 0.302 118 H CYS 18 H CYS 18 9.837 1.046 1.203 119 HA CYS 18 HA CYS 18 7.653 2.102 2.705 120 HB2 CYS 18 HB2 CYS 18 9.436 -0.271 3.293 121 HB3 CYS 18 HB3 CYS 18 7.902 0.080 4.082 122 H GLY 19 H GLY 19 7.812 2.019 5.204 123 HA2 GLY 19 HA2 GLY 19 8.571 3.102 7.082 124 HA3 GLY 19 HA3 GLY 19 10.152 2.500 6.606 125 H ALA 20 H ALA 20 11.664 3.927 6.012 126 HA ALA 20 HA ALA 20 10.919 6.527 4.961 127 HB1 ALA 20 HB1 ALA 20 11.550 6.167 7.730 128 HB2 ALA 20 HB2 ALA 20 12.790 7.159 6.961 129 HB3 ALA 20 HB3 ALA 20 11.095 7.639 6.872 130 H LEU 21 H LEU 21 12.393 4.153 4.051 131 HA LEU 21 HA LEU 21 15.156 5.063 3.908 132 HB2 LEU 21 HB2 LEU 21 14.013 2.663 2.518 133 HB3 LEU 21 HB3 LEU 21 15.681 2.962 3.000 134 HG LEU 21 HG LEU 21 13.611 2.724 5.129 135 HD11 LEU 21 HD11 LEU 21 13.491 0.416 5.073 136 HD12 LEU 21 HD12 LEU 21 14.908 0.262 4.035 137 HD13 LEU 21 HD13 LEU 21 13.383 0.842 3.365 138 HD21 LEU 21 HD21 LEU 21 16.323 3.087 5.107 139 HD22 LEU 21 HD22 LEU 21 16.178 1.347 5.357 140 HD23 LEU 21 HD23 LEU 21 15.386 2.467 6.466 141 H SER 22 H SER 22 16.257 5.153 1.806 142 HA SER 22 HA SER 22 14.473 6.246 -0.267 143 HB2 SER 22 HB2 SER 22 16.145 7.814 0.822 144 HB3 SER 22 HB3 SER 22 17.414 6.860 0.055 145 HG SER 22 HG SER 22 15.365 8.363 -1.197 146 H CYS 23 H CYS 23 16.179 6.331 -2.395 147 HA CYS 23 HA CYS 23 16.502 3.479 -2.994 148 HB2 CYS 23 HB2 CYS 23 15.039 4.871 -4.464 149 HB3 CYS 23 HB3 CYS 23 16.454 5.820 -4.909 150 H LYS 24 H LYS 24 18.452 2.602 -3.162 151 HA LYS 24 HA LYS 24 20.730 4.261 -3.944 152 HB2 LYS 24 HB2 LYS 24 21.043 2.378 -1.630 153 HB3 LYS 24 HB3 LYS 24 22.059 3.735 -2.097 154 HG2 LYS 24 HG2 LYS 24 21.021 4.629 -0.283 155 HG3 LYS 24 HG3 LYS 24 19.885 5.115 -1.544 156 HD2 LYS 24 HD2 LYS 24 18.328 3.502 -0.938 157 HD3 LYS 24 HD3 LYS 24 19.532 2.508 -0.114 158 HE2 LYS 24 HE2 LYS 24 18.601 5.216 0.832 159 HE3 LYS 24 HE3 LYS 24 17.975 3.679 1.427 160 HZ1 LYS 24 HZ1 LYS 24 19.682 3.512 2.807 161 HZ2 LYS 24 HZ2 LYS 24 20.189 5.058 2.346 162 HZ3 LYS 24 HZ3 LYS 24 20.800 3.696 1.550 163 H TYR 25 H TYR 25 22.629 2.974 -4.547 164 HA TYR 25 HA TYR 25 21.825 0.645 -6.044 165 HB2 TYR 25 HB2 TYR 25 23.353 2.264 -7.048 166 HB3 TYR 25 HB3 TYR 25 24.522 1.987 -5.762 167 HD1 TYR 25 HD2 TYR 25 25.800 -0.104 -5.674 168 HD2 TYR 25 HD1 TYR 25 23.094 0.694 -8.858 169 HE1 TYR 25 HE2 TYR 25 26.828 -1.909 -6.991 170 HE2 TYR 25 HE1 TYR 25 24.113 -1.109 -10.185 171 HH TYR 25 HH TYR 25 26.810 -3.035 -8.899 172 H SER 26 H SER 26 22.282 -1.446 -5.629 173 HA SER 26 HA SER 26 23.766 -2.025 -3.150 174 HB2 SER 26 HB2 SER 26 21.255 -3.146 -4.287 175 HB3 SER 26 HB3 SER 26 22.328 -4.264 -3.444 176 HG SER 26 HG SER 26 22.296 -2.511 -1.747 177 H ILE 27 H ILE 27 25.781 -2.457 -3.898 178 HA ILE 27 HA ILE 27 26.461 -3.714 -6.287 179 HB ILE 27 HB ILE 27 28.093 -4.003 -3.776 180 HG12 ILE 27 HG12 ILE 27 29.022 -1.731 -5.048 181 HG13 ILE 27 HG13 ILE 27 27.274 -1.563 -5.167 182 HG21 ILE 27 HG21 ILE 27 29.040 -3.492 -6.579 183 HG22 ILE 27 HG22 ILE 27 29.949 -4.122 -5.206 184 HG23 ILE 27 HG23 ILE 27 28.717 -5.119 -5.980 185 HD11 ILE 27 HD11 ILE 27 27.496 -2.250 -2.583 186 HD12 ILE 27 HD12 ILE 27 29.036 -1.422 -2.820 187 HD13 ILE 27 HD13 ILE 27 27.522 -0.585 -3.163 188 H LYS 28 H LYS 28 25.904 -5.101 -3.075 189 HA LYS 28 HA LYS 28 26.639 -7.735 -3.625 190 HB2 LYS 28 HB2 LYS 28 25.075 -8.325 -1.748 191 HB3 LYS 28 HB3 LYS 28 26.258 -7.083 -1.359 192 HG2 LYS 28 HG2 LYS 28 24.603 -5.790 -0.670 193 HG3 LYS 28 HG3 LYS 28 24.002 -5.728 -2.329 194 HD2 LYS 28 HD2 LYS 28 22.204 -6.468 -0.952 195 HD3 LYS 28 HD3 LYS 28 22.777 -7.869 -1.860 196 HE2 LYS 28 HE2 LYS 28 23.544 -8.920 -0.010 197 HE3 LYS 28 HE3 LYS 28 24.050 -7.418 0.763 198 HZ1 LYS 28 HZ1 LYS 28 22.270 -8.236 2.031 199 HZ2 LYS 28 HZ2 LYS 28 21.333 -8.590 0.669 200 HZ3 LYS 28 HZ3 LYS 28 21.607 -6.981 1.111 201 H ARG 29 H ARG 29 23.619 -6.027 -4.215 202 HA ARG 29 HA ARG 29 22.396 -8.451 -5.293 203 HB2 ARG 29 HB2 ARG 29 21.325 -5.698 -4.692 204 HB3 ARG 29 HB3 ARG 29 20.391 -6.901 -5.571 205 HG2 ARG 29 HG2 ARG 29 21.321 -8.208 -3.284 206 HG3 ARG 29 HG3 ARG 29 20.800 -6.611 -2.744 207 HD2 ARG 29 HD2 ARG 29 18.616 -6.967 -3.356 208 HD3 ARG 29 HD3 ARG 29 19.046 -8.137 -4.604 209 HE ARG 29 HE ARG 29 18.538 -8.672 -1.821 210 HH11 ARG 29 HH11 ARG 29 20.070 -9.800 -4.736 211 HH12 ARG 29 HH12 ARG 29 20.073 -11.462 -4.246 212 HH21 ARG 29 HH21 ARG 29 18.535 -10.857 -1.165 213 HH22 ARG 29 HH22 ARG 29 19.199 -12.062 -2.216 214 H ASN 30 H ASN 30 24.517 -6.356 -6.448 215 HA ASN 30 HA ASN 30 25.002 -5.397 -8.474 216 HB2 ASN 30 HB2 ASN 30 24.812 -6.958 -10.348 217 HB3 ASN 30 HB3 ASN 30 25.357 -7.798 -8.899 218 HD21 ASN 30 HD21 ASN 30 22.853 -7.448 -11.231 219 HD22 ASN 30 HD22 ASN 30 21.874 -8.769 -10.697 220 H LEU 31 H LEU 31 22.476 -4.547 -7.378 221 HA LEU 31 HA LEU 31 21.301 -3.508 -9.814 222 HB2 LEU 31 HB2 LEU 31 19.682 -5.096 -7.828 223 HB3 LEU 31 HB3 LEU 31 19.004 -4.118 -9.129 224 HG LEU 31 HG LEU 31 20.832 -6.465 -9.606 225 HD11 LEU 31 HD11 LEU 31 19.072 -7.603 -8.712 226 HD12 LEU 31 HD12 LEU 31 18.495 -7.431 -10.369 227 HD13 LEU 31 HD13 LEU 31 17.906 -6.343 -9.113 228 HD21 LEU 31 HD21 LEU 31 20.188 -4.463 -11.289 229 HD22 LEU 31 HD22 LEU 31 18.845 -5.566 -11.589 230 HD23 LEU 31 HD23 LEU 31 20.506 -6.117 -11.810 231 H LYS 32 H LYS 32 19.075 -2.299 -8.834 232 HA LYS 32 HA LYS 32 20.134 -0.571 -6.693 233 HB2 LYS 32 HB2 LYS 32 18.461 0.116 -9.108 234 HB3 LYS 32 HB3 LYS 32 18.654 1.209 -7.743 235 HG2 LYS 32 HG2 LYS 32 20.304 1.998 -9.086 236 HG3 LYS 32 HG3 LYS 32 21.218 0.766 -8.212 237 HD2 LYS 32 HD2 LYS 32 21.777 0.395 -10.448 238 HD3 LYS 32 HD3 LYS 32 20.528 -0.810 -10.122 239 HE2 LYS 32 HE2 LYS 32 19.162 1.482 -10.959 240 HE3 LYS 32 HE3 LYS 32 20.549 1.344 -12.038 241 HZ1 LYS 32 HZ1 LYS 32 18.175 -0.099 -12.125 242 HZ2 LYS 32 HZ2 LYS 32 19.384 -1.194 -11.678 243 HZ3 LYS 32 HZ3 LYS 32 19.542 -0.296 -13.103 244 H ILE 33 H ILE 33 19.092 -0.942 -4.854 245 HA ILE 33 HA ILE 33 16.163 -1.163 -4.928 246 HB ILE 33 HB ILE 33 16.085 -2.951 -3.410 247 HG12 ILE 33 HG12 ILE 33 18.989 -2.334 -2.929 248 HG13 ILE 33 HG13 ILE 33 17.673 -2.416 -1.763 249 HG21 ILE 33 HG21 ILE 33 17.045 -4.718 -4.597 250 HG22 ILE 33 HG22 ILE 33 16.864 -3.443 -5.801 251 HG23 ILE 33 HG23 ILE 33 18.442 -3.756 -5.080 252 HD11 ILE 33 HD11 ILE 33 17.589 -4.919 -2.416 253 HD12 ILE 33 HD12 ILE 33 19.218 -4.629 -3.029 254 HD13 ILE 33 HD13 ILE 33 18.851 -4.342 -1.328 255 H CYS 34 H CYS 34 15.284 -0.976 -2.586 256 HA CYS 34 HA CYS 34 16.285 1.513 -1.533 257 HB2 CYS 34 HB2 CYS 34 13.962 -0.260 -0.775 258 HB3 CYS 34 HB3 CYS 34 14.360 1.217 0.097 259 H VAL 35 H VAL 35 16.940 1.877 0.634 260 HA VAL 35 HA VAL 35 17.651 -0.463 2.231 261 HB VAL 35 HB VAL 35 19.715 1.654 1.639 262 HG11 VAL 35 HG11 VAL 35 20.359 0.677 3.614 263 HG12 VAL 35 HG12 VAL 35 19.641 -0.882 3.205 264 HG13 VAL 35 HG13 VAL 35 21.155 -0.382 2.450 265 HG21 VAL 35 HG21 VAL 35 19.219 0.473 -0.431 266 HG22 VAL 35 HG22 VAL 35 20.807 0.009 0.180 267 HG23 VAL 35 HG23 VAL 35 19.432 -1.076 0.384 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.000 -2.717 -3.027 2 HA2 GLY 1 HA2 GLY 1 1.147 -0.508 -1.393 3 HA3 GLY 1 HA3 GLY 1 2.203 -1.824 -0.902 4 H CYS 2 H CYS 2 4.282 -1.368 -0.585 5 HA CYS 2 HA CYS 2 5.430 0.984 -1.922 6 HB2 CYS 2 HB2 CYS 2 6.639 1.504 0.218 7 HB3 CYS 2 HB3 CYS 2 4.899 1.762 0.282 8 H ILE 3 H ILE 3 7.859 1.009 -1.728 9 HA ILE 3 HA ILE 3 8.848 -1.656 -2.349 10 HB ILE 3 HB ILE 3 10.312 0.978 -2.524 11 HG12 ILE 3 HG12 ILE 3 9.633 -0.108 -5.077 12 HG13 ILE 3 HG13 ILE 3 8.167 -0.017 -4.108 13 HG21 ILE 3 HG21 ILE 3 11.665 -1.138 -2.408 14 HG22 ILE 3 HG22 ILE 3 10.913 -1.613 -3.930 15 HG23 ILE 3 HG23 ILE 3 11.914 -0.163 -3.856 16 HD11 ILE 3 HD11 ILE 3 9.945 2.353 -4.156 17 HD12 ILE 3 HD12 ILE 3 8.986 1.996 -5.592 18 HD13 ILE 3 HD13 ILE 3 8.189 2.252 -4.040 19 H ALA 4 H ALA 4 9.632 -2.867 -0.764 20 HA ALA 4 HA ALA 4 10.537 -1.742 1.720 21 HB1 ALA 4 HB1 ALA 4 9.319 -3.849 1.689 22 HB2 ALA 4 HB2 ALA 4 10.603 -4.591 0.733 23 HB3 ALA 4 HB3 ALA 4 10.925 -4.065 2.385 24 H LYS 5 H LYS 5 12.655 -2.570 2.672 25 HA LYS 5 HA LYS 5 14.788 -1.668 0.998 26 HB2 LYS 5 HB2 LYS 5 16.221 -2.234 2.962 27 HB3 LYS 5 HB3 LYS 5 14.878 -1.166 3.347 28 HG2 LYS 5 HG2 LYS 5 13.831 -2.713 4.635 29 HG3 LYS 5 HG3 LYS 5 14.437 -4.074 3.688 30 HD2 LYS 5 HD2 LYS 5 15.705 -4.357 5.558 31 HD3 LYS 5 HD3 LYS 5 16.753 -3.232 4.690 32 HE2 LYS 5 HE2 LYS 5 16.565 -1.745 6.328 33 HE3 LYS 5 HE3 LYS 5 14.809 -1.752 6.172 34 HZ1 LYS 5 HZ1 LYS 5 15.445 -2.364 8.397 35 HZ2 LYS 5 HZ2 LYS 5 16.432 -3.612 7.823 36 HZ3 LYS 5 HZ3 LYS 5 14.754 -3.704 7.630 37 H ASN 6 H ASN 6 14.207 -3.431 -0.637 38 HA ASN 6 HA ASN 6 16.284 -5.284 -0.772 39 HB2 ASN 6 HB2 ASN 6 15.056 -6.422 1.052 40 HB3 ASN 6 HB3 ASN 6 13.645 -6.545 0.005 41 HD21 ASN 6 HD21 ASN 6 14.042 -8.852 0.648 42 HD22 ASN 6 HD22 ASN 6 15.060 -9.787 -0.388 43 H LYS 7 H LYS 7 13.101 -4.274 -1.735 44 HA LYS 7 HA LYS 7 13.212 -5.691 -4.263 45 HB2 LYS 7 HB2 LYS 7 11.211 -3.655 -3.266 46 HB3 LYS 7 HB3 LYS 7 11.035 -4.659 -4.699 47 HG2 LYS 7 HG2 LYS 7 11.553 -6.370 -2.501 48 HG3 LYS 7 HG3 LYS 7 10.288 -5.234 -2.026 49 HD2 LYS 7 HD2 LYS 7 8.875 -5.906 -3.772 50 HD3 LYS 7 HD3 LYS 7 10.190 -6.689 -4.652 51 HE2 LYS 7 HE2 LYS 7 10.263 -8.098 -2.364 52 HE3 LYS 7 HE3 LYS 7 8.552 -7.675 -2.398 53 HZ1 LYS 7 HZ1 LYS 7 9.106 -9.808 -3.508 54 HZ2 LYS 7 HZ2 LYS 7 9.980 -8.943 -4.668 55 HZ3 LYS 7 HZ3 LYS 7 8.313 -8.703 -4.515 56 H GLU 8 H GLU 8 13.337 -4.712 -6.301 57 HA GLU 8 HA GLU 8 15.205 -2.698 -6.630 58 HB2 GLU 8 HB2 GLU 8 14.725 -2.766 -8.926 59 HB3 GLU 8 HB3 GLU 8 14.314 -4.375 -8.350 60 HG2 GLU 8 HG2 GLU 8 11.939 -3.656 -8.221 61 HG3 GLU 8 HG3 GLU 8 12.411 -2.130 -8.967 62 H CYS 9 H CYS 9 15.012 -0.523 -7.410 63 HA CYS 9 HA CYS 9 12.450 0.810 -7.106 64 HB2 CYS 9 HB2 CYS 9 13.291 2.449 -5.491 65 HB3 CYS 9 HB3 CYS 9 13.352 0.823 -4.821 66 H ALA 10 H ALA 10 12.285 2.662 -8.299 67 HA ALA 10 HA ALA 10 14.682 3.439 -9.830 68 HB1 ALA 10 HB1 ALA 10 12.018 4.081 -10.933 69 HB2 ALA 10 HB2 ALA 10 13.488 3.543 -11.747 70 HB3 ALA 10 HB3 ALA 10 12.468 2.376 -10.904 71 H TRP 11 H TRP 11 15.125 5.605 -10.122 72 HA TRP 11 HA TRP 11 14.332 7.374 -8.084 73 HB2 TRP 11 HB2 TRP 11 15.874 7.655 -10.634 74 HB3 TRP 11 HB3 TRP 11 15.375 9.107 -9.771 75 HD1 TRP 11 HD1 TRP 11 16.177 6.298 -7.450 76 HE1 TRP 11 HE1 TRP 11 18.475 6.687 -6.358 77 HE3 TRP 11 HE3 TRP 11 17.834 10.136 -10.393 78 HZ2 TRP 11 HZ2 TRP 11 20.697 8.395 -6.700 79 HZ3 TRP 11 HZ3 TRP 11 20.056 11.091 -9.944 80 HH2 TRP 11 HH2 TRP 11 21.456 10.238 -8.135 81 H PHE 12 H PHE 12 12.794 6.484 -10.975 82 HA PHE 12 HA PHE 12 10.896 8.706 -10.659 83 HB2 PHE 12 HB2 PHE 12 12.567 8.702 -12.738 84 HB3 PHE 12 HB3 PHE 12 11.347 7.616 -13.393 85 HD1 PHE 12 HD1 PHE 12 11.825 10.984 -11.922 86 HD2 PHE 12 HD2 PHE 12 9.371 8.453 -14.307 87 HE1 PHE 12 HE1 PHE 12 10.450 12.923 -12.559 88 HE2 PHE 12 HE2 PHE 12 7.993 10.387 -14.949 89 HZ PHE 12 HZ PHE 12 8.532 12.626 -14.075 90 H SER 13 H SER 13 10.977 5.840 -9.802 91 HA SER 13 HA SER 13 9.218 4.299 -11.362 92 HB2 SER 13 HB2 SER 13 8.868 2.998 -9.233 93 HB3 SER 13 HB3 SER 13 10.558 3.215 -9.688 94 HG SER 13 HG SER 13 10.238 3.654 -7.479 95 H GLY 14 H GLY 14 8.657 7.028 -9.411 96 HA2 GLY 14 HA2 GLY 14 6.622 8.212 -9.364 97 HA3 GLY 14 HA3 GLY 14 5.781 6.742 -9.831 98 H GLU 15 H GLU 15 7.102 5.132 -7.765 99 HA GLU 15 HA GLU 15 5.494 6.060 -5.490 100 HB2 GLU 15 HB2 GLU 15 5.803 3.647 -4.713 101 HB3 GLU 15 HB3 GLU 15 4.780 3.908 -6.119 102 HG2 GLU 15 HG2 GLU 15 7.547 3.481 -6.856 103 HG3 GLU 15 HG3 GLU 15 6.893 2.142 -5.915 104 H TRP 16 H TRP 16 6.457 5.030 -3.336 105 HA TRP 16 HA TRP 16 9.326 5.692 -3.247 106 HB2 TRP 16 HB2 TRP 16 7.179 6.469 -1.264 107 HB3 TRP 16 HB3 TRP 16 8.907 6.653 -0.973 108 HD1 TRP 16 HD1 TRP 16 6.622 7.682 -3.954 109 HE1 TRP 16 HE1 TRP 16 7.148 10.135 -4.531 110 HE3 TRP 16 HE3 TRP 16 10.165 8.613 -0.388 111 HZ2 TRP 16 HZ2 TRP 16 8.841 12.192 -3.598 112 HZ3 TRP 16 HZ3 TRP 16 11.189 10.848 -0.299 113 HH2 TRP 16 HH2 TRP 16 10.540 12.599 -1.872 114 H CYS 17 H CYS 17 10.309 4.909 -1.096 115 HA CYS 17 HA CYS 17 9.772 2.083 -0.912 116 HB2 CYS 17 HB2 CYS 17 11.726 3.675 0.750 117 HB3 CYS 17 HB3 CYS 17 11.765 1.950 0.400 118 H CYS 18 H CYS 18 9.673 1.023 1.269 119 HA CYS 18 HA CYS 18 7.454 2.079 2.721 120 HB2 CYS 18 HB2 CYS 18 9.245 -0.268 3.385 121 HB3 CYS 18 HB3 CYS 18 7.681 0.075 4.116 122 H GLY 19 H GLY 19 7.578 2.020 5.225 123 HA2 GLY 19 HA2 GLY 19 8.288 3.159 7.091 124 HA3 GLY 19 HA3 GLY 19 9.874 2.525 6.673 125 H ALA 20 H ALA 20 11.421 3.931 6.140 126 HA ALA 20 HA ALA 20 10.746 6.509 4.985 127 HB1 ALA 20 HB1 ALA 20 11.809 6.178 7.755 128 HB2 ALA 20 HB2 ALA 20 12.285 7.580 6.797 129 HB3 ALA 20 HB3 ALA 20 10.581 7.289 7.147 130 H LEU 21 H LEU 21 12.146 4.230 3.997 131 HA LEU 21 HA LEU 21 14.951 5.071 3.993 132 HB2 LEU 21 HB2 LEU 21 13.854 2.639 2.625 133 HB3 LEU 21 HB3 LEU 21 15.500 2.945 3.174 134 HG LEU 21 HG LEU 21 13.444 2.847 5.287 135 HD11 LEU 21 HD11 LEU 21 13.387 0.861 3.320 136 HD12 LEU 21 HD12 LEU 21 12.643 0.813 4.918 137 HD13 LEU 21 HD13 LEU 21 14.264 0.162 4.681 138 HD21 LEU 21 HD21 LEU 21 16.185 2.835 5.159 139 HD22 LEU 21 HD22 LEU 21 15.802 1.137 5.443 140 HD23 LEU 21 HD23 LEU 21 15.218 2.372 6.560 141 H SER 22 H SER 22 16.110 5.112 1.924 142 HA SER 22 HA SER 22 14.387 6.159 -0.223 143 HB2 SER 22 HB2 SER 22 17.044 6.982 0.829 144 HB3 SER 22 HB3 SER 22 16.795 7.124 -0.911 145 HG SER 22 HG SER 22 16.066 8.851 0.841 146 H CYS 23 H CYS 23 16.003 6.142 -2.355 147 HA CYS 23 HA CYS 23 16.390 3.279 -2.834 148 HB2 CYS 23 HB2 CYS 23 14.890 4.579 -4.346 149 HB3 CYS 23 HB3 CYS 23 16.280 5.541 -4.839 150 H LYS 24 H LYS 24 18.354 2.430 -2.965 151 HA LYS 24 HA LYS 24 20.606 4.145 -3.747 152 HB2 LYS 24 HB2 LYS 24 20.916 2.116 -1.553 153 HB3 LYS 24 HB3 LYS 24 21.961 3.472 -1.955 154 HG2 LYS 24 HG2 LYS 24 20.956 4.294 -0.089 155 HG3 LYS 24 HG3 LYS 24 19.822 4.871 -1.313 156 HD2 LYS 24 HD2 LYS 24 18.224 3.292 -0.763 157 HD3 LYS 24 HD3 LYS 24 19.408 2.193 -0.050 158 HE2 LYS 24 HE2 LYS 24 17.841 3.434 1.541 159 HE3 LYS 24 HE3 LYS 24 19.564 3.456 1.915 160 HZ1 LYS 24 HZ1 LYS 24 18.450 5.634 0.299 161 HZ2 LYS 24 HZ2 LYS 24 19.747 5.655 1.385 162 HZ3 LYS 24 HZ3 LYS 24 18.158 5.638 1.965 163 H TYR 25 H TYR 25 22.497 2.934 -4.477 164 HA TYR 25 HA TYR 25 21.700 0.684 -6.096 165 HB2 TYR 25 HB2 TYR 25 23.160 2.374 -7.058 166 HB3 TYR 25 HB3 TYR 25 24.361 2.092 -5.803 167 HD1 TYR 25 HD1 TYR 25 25.748 0.082 -5.836 168 HD2 TYR 25 HD2 TYR 25 22.904 0.838 -8.909 169 HE1 TYR 25 HE1 TYR 25 26.820 -1.628 -7.241 170 HE2 TYR 25 HE2 TYR 25 23.967 -0.872 -10.322 171 HH TYR 25 HH TYR 25 27.006 -2.289 -9.518 172 H SER 26 H SER 26 22.196 -1.417 -5.808 173 HA SER 26 HA SER 26 23.730 -2.111 -3.391 174 HB2 SER 26 HB2 SER 26 21.270 -3.251 -4.619 175 HB3 SER 26 HB3 SER 26 22.386 -4.379 -3.849 176 HG SER 26 HG SER 26 21.239 -2.077 -2.643 177 H ILE 27 H ILE 27 25.762 -2.418 -4.147 178 HA ILE 27 HA ILE 27 26.489 -3.482 -6.621 179 HB ILE 27 HB ILE 27 28.146 -3.841 -4.136 180 HG12 ILE 27 HG12 ILE 27 28.957 -1.455 -5.272 181 HG13 ILE 27 HG13 ILE 27 27.203 -1.365 -5.374 182 HG21 ILE 27 HG21 ILE 27 28.845 -3.345 -7.027 183 HG22 ILE 27 HG22 ILE 27 30.005 -3.480 -5.706 184 HG23 ILE 27 HG23 ILE 27 29.012 -4.867 -6.153 185 HD11 ILE 27 HD11 ILE 27 28.972 -1.278 -3.030 186 HD12 ILE 27 HD12 ILE 27 27.414 -0.502 -3.314 187 HD13 ILE 27 HD13 ILE 27 27.481 -2.198 -2.837 188 H LYS 28 H LYS 28 26.031 -5.084 -3.493 189 HA LYS 28 HA LYS 28 26.866 -7.648 -4.251 190 HB2 LYS 28 HB2 LYS 28 25.413 -8.417 -2.341 191 HB3 LYS 28 HB3 LYS 28 26.593 -7.179 -1.932 192 HG2 LYS 28 HG2 LYS 28 24.971 -5.936 -1.093 193 HG3 LYS 28 HG3 LYS 28 24.226 -5.845 -2.691 194 HD2 LYS 28 HD2 LYS 28 22.509 -6.759 -1.467 195 HD3 LYS 28 HD3 LYS 28 23.308 -8.220 -2.054 196 HE2 LYS 28 HE2 LYS 28 24.628 -7.547 0.316 197 HE3 LYS 28 HE3 LYS 28 22.916 -7.298 0.650 198 HZ1 LYS 28 HZ1 LYS 28 23.941 -9.778 -0.599 199 HZ2 LYS 28 HZ2 LYS 28 22.430 -9.517 0.114 200 HZ3 LYS 28 HZ3 LYS 28 23.817 -9.595 1.078 201 H ARG 29 H ARG 29 23.774 -6.011 -4.595 202 HA ARG 29 HA ARG 29 22.552 -8.409 -5.724 203 HB2 ARG 29 HB2 ARG 29 21.398 -5.675 -5.145 204 HB3 ARG 29 HB3 ARG 29 20.484 -7.037 -5.779 205 HG2 ARG 29 HG2 ARG 29 21.825 -7.914 -3.445 206 HG3 ARG 29 HG3 ARG 29 21.045 -6.374 -3.080 207 HD2 ARG 29 HD2 ARG 29 18.939 -7.200 -3.437 208 HD3 ARG 29 HD3 ARG 29 19.496 -8.418 -4.584 209 HE ARG 29 HE ARG 29 19.661 -9.880 -2.847 210 HH11 ARG 29 HH11 ARG 29 19.772 -6.641 -1.575 211 HH12 ARG 29 HH12 ARG 29 19.783 -7.151 0.080 212 HH21 ARG 29 HH21 ARG 29 19.675 -10.565 -0.671 213 HH22 ARG 29 HH22 ARG 29 19.729 -9.383 0.594 214 H ASN 30 H ASN 30 24.580 -6.211 -6.881 215 HA ASN 30 HA ASN 30 24.958 -5.168 -8.888 216 HB2 ASN 30 HB2 ASN 30 24.748 -6.673 -10.807 217 HB3 ASN 30 HB3 ASN 30 25.380 -7.537 -9.408 218 HD21 ASN 30 HD21 ASN 30 22.781 -7.214 -11.635 219 HD22 ASN 30 HD22 ASN 30 21.870 -8.584 -11.106 220 H LEU 31 H LEU 31 22.453 -4.433 -7.679 221 HA LEU 31 HA LEU 31 21.151 -3.365 -10.037 222 HB2 LEU 31 HB2 LEU 31 19.665 -5.063 -8.039 223 HB3 LEU 31 HB3 LEU 31 18.902 -4.068 -9.277 224 HG LEU 31 HG LEU 31 20.781 -6.337 -9.907 225 HD11 LEU 31 HD11 LEU 31 18.465 -7.373 -10.601 226 HD12 LEU 31 HD12 LEU 31 17.865 -6.322 -9.319 227 HD13 LEU 31 HD13 LEU 31 19.086 -7.542 -8.959 228 HD21 LEU 31 HD21 LEU 31 18.704 -5.504 -11.801 229 HD22 LEU 31 HD22 LEU 31 20.405 -5.885 -12.072 230 HD23 LEU 31 HD23 LEU 31 19.940 -4.287 -11.484 231 H LYS 32 H LYS 32 18.926 -2.261 -8.934 232 HA LYS 32 HA LYS 32 20.001 -0.578 -6.765 233 HB2 LYS 32 HB2 LYS 32 18.248 0.184 -9.103 234 HB3 LYS 32 HB3 LYS 32 18.523 1.232 -7.719 235 HG2 LYS 32 HG2 LYS 32 20.055 2.006 -9.261 236 HG3 LYS 32 HG3 LYS 32 21.026 0.916 -8.268 237 HD2 LYS 32 HD2 LYS 32 21.289 -0.590 -9.943 238 HD3 LYS 32 HD3 LYS 32 19.685 -0.284 -10.614 239 HE2 LYS 32 HE2 LYS 32 20.517 1.868 -11.508 240 HE3 LYS 32 HE3 LYS 32 22.126 1.465 -10.909 241 HZ1 LYS 32 HZ1 LYS 32 20.947 -0.593 -12.539 242 HZ2 LYS 32 HZ2 LYS 32 22.491 0.094 -12.613 243 HZ3 LYS 32 HZ3 LYS 32 21.186 0.863 -13.367 244 H ILE 33 H ILE 33 18.979 -0.973 -4.923 245 HA ILE 33 HA ILE 33 16.057 -1.272 -4.972 246 HB ILE 33 HB ILE 33 16.033 -3.099 -3.509 247 HG12 ILE 33 HG12 ILE 33 18.957 -2.511 -3.045 248 HG13 ILE 33 HG13 ILE 33 17.645 -2.444 -1.874 249 HG21 ILE 33 HG21 ILE 33 16.993 -4.798 -4.756 250 HG22 ILE 33 HG22 ILE 33 16.895 -3.478 -5.921 251 HG23 ILE 33 HG23 ILE 33 18.430 -3.848 -5.134 252 HD11 ILE 33 HD11 ILE 33 19.148 -4.770 -2.913 253 HD12 ILE 33 HD12 ILE 33 18.564 -4.426 -1.285 254 HD13 ILE 33 HD13 ILE 33 17.445 -5.003 -2.519 255 H CYS 34 H CYS 34 15.158 -1.092 -2.670 256 HA CYS 34 HA CYS 34 16.174 1.359 -1.543 257 HB2 CYS 34 HB2 CYS 34 13.805 -0.387 -0.867 258 HB3 CYS 34 HB3 CYS 34 14.205 1.076 0.028 259 H VAL 35 H VAL 35 16.637 1.644 0.730 260 HA VAL 35 HA VAL 35 17.316 -0.738 2.257 261 HB VAL 35 HB VAL 35 19.422 1.360 1.740 262 HG11 VAL 35 HG11 VAL 35 20.498 0.423 3.439 263 HG12 VAL 35 HG12 VAL 35 19.135 -0.666 3.703 264 HG13 VAL 35 HG13 VAL 35 20.447 -1.139 2.622 265 HG21 VAL 35 HG21 VAL 35 19.114 -1.379 0.517 266 HG22 VAL 35 HG22 VAL 35 19.034 0.168 -0.325 267 HG23 VAL 35 HG23 VAL 35 20.555 -0.372 0.384 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.024 1.953 -2.270 2 HA2 GLY 1 HA2 GLY 1 1.655 -0.026 -0.499 3 HA3 GLY 1 HA3 GLY 1 2.159 -0.679 -2.051 4 H CYS 2 H CYS 2 4.260 -0.634 -0.812 5 HA CYS 2 HA CYS 2 5.723 1.738 -1.623 6 HB2 CYS 2 HB2 CYS 2 6.802 1.994 0.596 7 HB3 CYS 2 HB3 CYS 2 5.077 2.345 0.635 8 H ILE 3 H ILE 3 8.064 1.428 -1.517 9 HA ILE 3 HA ILE 3 8.749 -1.334 -2.122 10 HB ILE 3 HB ILE 3 10.493 1.122 -2.324 11 HG12 ILE 3 HG12 ILE 3 9.630 0.039 -4.850 12 HG13 ILE 3 HG13 ILE 3 8.229 0.431 -3.859 13 HG21 ILE 3 HG21 ILE 3 10.886 -1.344 -3.941 14 HG22 ILE 3 HG22 ILE 3 12.066 -0.162 -3.377 15 HG23 ILE 3 HG23 ILE 3 11.402 -1.349 -2.254 16 HD11 ILE 3 HD11 ILE 3 9.967 2.605 -3.610 17 HD12 ILE 3 HD12 ILE 3 9.966 2.171 -5.320 18 HD13 ILE 3 HD13 ILE 3 8.447 2.532 -4.500 19 H ALA 4 H ALA 4 9.580 -2.642 -0.647 20 HA ALA 4 HA ALA 4 10.487 -1.654 1.895 21 HB1 ALA 4 HB1 ALA 4 11.140 -4.367 1.713 22 HB2 ALA 4 HB2 ALA 4 9.724 -3.654 2.486 23 HB3 ALA 4 HB3 ALA 4 9.641 -4.176 0.803 24 H LYS 5 H LYS 5 12.573 -2.555 2.830 25 HA LYS 5 HA LYS 5 14.743 -1.670 1.187 26 HB2 LYS 5 HB2 LYS 5 16.143 -2.291 3.158 27 HB3 LYS 5 HB3 LYS 5 14.823 -1.193 3.540 28 HG2 LYS 5 HG2 LYS 5 13.984 -2.609 5.022 29 HG3 LYS 5 HG3 LYS 5 13.988 -3.930 3.851 30 HD2 LYS 5 HD2 LYS 5 16.624 -3.770 4.417 31 HD3 LYS 5 HD3 LYS 5 15.937 -3.252 5.958 32 HE2 LYS 5 HE2 LYS 5 15.582 -5.386 6.461 33 HE3 LYS 5 HE3 LYS 5 14.424 -5.468 5.134 34 HZ1 LYS 5 HZ1 LYS 5 16.473 -5.880 3.690 35 HZ2 LYS 5 HZ2 LYS 5 15.932 -7.148 4.670 36 HZ3 LYS 5 HZ3 LYS 5 17.275 -6.232 5.138 37 H ASN 6 H ASN 6 14.124 -3.409 -0.468 38 HA ASN 6 HA ASN 6 16.162 -5.310 -0.602 39 HB2 ASN 6 HB2 ASN 6 14.462 -6.243 1.212 40 HB3 ASN 6 HB3 ASN 6 13.595 -6.785 -0.222 41 HD21 ASN 6 HD21 ASN 6 15.101 -8.200 1.946 42 HD22 ASN 6 HD22 ASN 6 16.203 -9.232 1.106 43 H LYS 7 H LYS 7 13.009 -4.219 -1.586 44 HA LYS 7 HA LYS 7 13.114 -5.609 -4.128 45 HB2 LYS 7 HB2 LYS 7 11.154 -3.489 -3.242 46 HB3 LYS 7 HB3 LYS 7 10.957 -4.634 -4.562 47 HG2 LYS 7 HG2 LYS 7 11.448 -6.103 -2.182 48 HG3 LYS 7 HG3 LYS 7 10.189 -4.911 -1.854 49 HD2 LYS 7 HD2 LYS 7 8.823 -5.740 -3.607 50 HD3 LYS 7 HD3 LYS 7 10.137 -6.724 -4.257 51 HE2 LYS 7 HE2 LYS 7 9.912 -7.604 -1.655 52 HE3 LYS 7 HE3 LYS 7 8.239 -7.305 -2.124 53 HZ1 LYS 7 HZ1 LYS 7 10.188 -9.155 -3.350 54 HZ2 LYS 7 HZ2 LYS 7 8.823 -8.634 -4.200 55 HZ3 LYS 7 HZ3 LYS 7 8.641 -9.493 -2.754 56 H GLU 8 H GLU 8 13.362 -4.646 -6.142 57 HA GLU 8 HA GLU 8 15.179 -2.497 -6.292 58 HB2 GLU 8 HB2 GLU 8 15.174 -2.825 -8.593 59 HB3 GLU 8 HB3 GLU 8 14.715 -4.408 -7.982 60 HG2 GLU 8 HG2 GLU 8 12.347 -3.835 -8.393 61 HG3 GLU 8 HG3 GLU 8 12.873 -2.312 -9.107 62 H CYS 9 H CYS 9 14.921 -0.385 -7.070 63 HA CYS 9 HA CYS 9 12.246 0.653 -7.497 64 HB2 CYS 9 HB2 CYS 9 12.451 2.385 -5.764 65 HB3 CYS 9 HB3 CYS 9 12.464 0.771 -5.061 66 H ALA 10 H ALA 10 12.220 2.414 -8.805 67 HA ALA 10 HA ALA 10 14.802 3.281 -9.869 68 HB1 ALA 10 HB1 ALA 10 13.739 3.806 -11.832 69 HB2 ALA 10 HB2 ALA 10 12.717 2.491 -11.250 70 HB3 ALA 10 HB3 ALA 10 12.207 4.165 -11.035 71 H TRP 11 H TRP 11 15.396 5.452 -10.037 72 HA TRP 11 HA TRP 11 14.714 7.098 -7.865 73 HB2 TRP 11 HB2 TRP 11 16.301 7.451 -10.369 74 HB3 TRP 11 HB3 TRP 11 15.860 8.888 -9.451 75 HD1 TRP 11 HD1 TRP 11 16.450 5.964 -7.222 76 HE1 TRP 11 HE1 TRP 11 18.748 6.172 -6.080 77 HE3 TRP 11 HE3 TRP 11 18.401 9.779 -10.011 78 HZ2 TRP 11 HZ2 TRP 11 21.078 7.745 -6.328 79 HZ3 TRP 11 HZ3 TRP 11 20.670 10.577 -9.493 80 HH2 TRP 11 HH2 TRP 11 21.979 9.580 -7.690 81 H PHE 12 H PHE 12 13.132 6.562 -10.821 82 HA PHE 12 HA PHE 12 11.347 8.830 -10.283 83 HB2 PHE 12 HB2 PHE 12 13.070 9.031 -12.305 84 HB3 PHE 12 HB3 PHE 12 11.833 8.087 -13.127 85 HD1 PHE 12 HD1 PHE 12 12.428 11.231 -11.269 86 HD2 PHE 12 HD2 PHE 12 9.871 9.094 -13.918 87 HE1 PHE 12 HE1 PHE 12 11.141 13.287 -11.681 88 HE2 PHE 12 HE2 PHE 12 8.581 11.147 -14.335 89 HZ PHE 12 HZ PHE 12 9.216 13.247 -13.216 90 H SER 13 H SER 13 11.263 5.894 -9.785 91 HA SER 13 HA SER 13 9.504 4.631 -11.577 92 HB2 SER 13 HB2 SER 13 8.987 3.143 -9.576 93 HB3 SER 13 HB3 SER 13 10.686 3.255 -10.036 94 HG SER 13 HG SER 13 9.721 5.077 -8.156 95 H GLY 14 H GLY 14 8.982 7.133 -9.331 96 HA2 GLY 14 HA2 GLY 14 7.004 8.400 -9.205 97 HA3 GLY 14 HA3 GLY 14 6.119 7.045 -9.891 98 H GLU 15 H GLU 15 7.580 5.290 -7.848 99 HA GLU 15 HA GLU 15 5.663 5.784 -5.685 100 HB2 GLU 15 HB2 GLU 15 6.356 3.404 -5.018 101 HB3 GLU 15 HB3 GLU 15 5.385 3.595 -6.471 102 HG2 GLU 15 HG2 GLU 15 8.272 3.665 -6.936 103 HG3 GLU 15 HG3 GLU 15 7.670 2.138 -6.293 104 H TRP 16 H TRP 16 6.565 4.836 -3.493 105 HA TRP 16 HA TRP 16 9.313 5.797 -3.088 106 HB2 TRP 16 HB2 TRP 16 7.180 6.356 -1.048 107 HB3 TRP 16 HB3 TRP 16 8.743 7.140 -1.260 108 HD1 TRP 16 HD1 TRP 16 8.720 8.235 -4.089 109 HE1 TRP 16 HE1 TRP 16 6.999 9.975 -4.886 110 HE3 TRP 16 HE3 TRP 16 5.064 7.414 -0.610 111 HZ2 TRP 16 HZ2 TRP 16 4.432 10.881 -4.138 112 HZ3 TRP 16 HZ3 TRP 16 3.007 8.760 -0.721 113 HH2 TRP 16 HH2 TRP 16 2.700 10.458 -2.449 114 H CYS 17 H CYS 17 10.368 4.943 -1.198 115 HA CYS 17 HA CYS 17 9.729 2.189 -0.755 116 HB2 CYS 17 HB2 CYS 17 11.757 3.794 0.794 117 HB3 CYS 17 HB3 CYS 17 11.765 2.067 0.455 118 H CYS 18 H CYS 18 9.564 1.238 1.430 119 HA CYS 18 HA CYS 18 7.441 2.432 2.882 120 HB2 CYS 18 HB2 CYS 18 9.228 0.108 3.632 121 HB3 CYS 18 HB3 CYS 18 7.718 0.532 4.433 122 H GLY 19 H GLY 19 7.551 2.691 5.320 123 HA2 GLY 19 HA2 GLY 19 8.313 3.957 7.079 124 HA3 GLY 19 HA3 GLY 19 9.866 3.204 6.747 125 H ALA 20 H ALA 20 11.489 4.460 6.078 126 HA ALA 20 HA ALA 20 10.955 6.947 4.675 127 HB1 ALA 20 HB1 ALA 20 11.491 8.407 6.288 128 HB2 ALA 20 HB2 ALA 20 11.113 7.084 7.392 129 HB3 ALA 20 HB3 ALA 20 12.785 7.386 6.918 130 H LEU 21 H LEU 21 12.206 4.553 3.854 131 HA LEU 21 HA LEU 21 15.066 5.173 3.837 132 HB2 LEU 21 HB2 LEU 21 13.769 2.776 2.581 133 HB3 LEU 21 HB3 LEU 21 15.442 2.974 3.097 134 HG LEU 21 HG LEU 21 13.322 3.084 5.179 135 HD11 LEU 21 HD11 LEU 21 13.223 1.023 3.394 136 HD12 LEU 21 HD12 LEU 21 12.687 0.943 5.072 137 HD13 LEU 21 HD13 LEU 21 14.302 0.385 4.634 138 HD21 LEU 21 HD21 LEU 21 15.658 1.435 5.632 139 HD22 LEU 21 HD22 LEU 21 15.063 2.824 6.542 140 HD23 LEU 21 HD23 LEU 21 16.095 3.068 5.132 141 H SER 22 H SER 22 16.250 5.103 1.811 142 HA SER 22 HA SER 22 14.628 6.122 -0.426 143 HB2 SER 22 HB2 SER 22 17.296 6.877 0.654 144 HB3 SER 22 HB3 SER 22 17.083 6.962 -1.095 145 HG SER 22 HG SER 22 15.099 8.198 -0.539 146 H CYS 23 H CYS 23 16.302 5.944 -2.508 147 HA CYS 23 HA CYS 23 16.561 3.049 -2.861 148 HB2 CYS 23 HB2 CYS 23 16.423 5.335 -4.831 149 HB3 CYS 23 HB3 CYS 23 16.758 3.673 -5.306 150 H LYS 24 H LYS 24 18.493 2.157 -2.649 151 HA LYS 24 HA LYS 24 20.868 3.752 -3.357 152 HB2 LYS 24 HB2 LYS 24 20.747 1.577 -1.264 153 HB3 LYS 24 HB3 LYS 24 22.109 2.634 -1.615 154 HG2 LYS 24 HG2 LYS 24 21.249 3.625 0.259 155 HG3 LYS 24 HG3 LYS 24 20.418 4.530 -1.009 156 HD2 LYS 24 HD2 LYS 24 18.404 3.427 -0.649 157 HD3 LYS 24 HD3 LYS 24 19.183 2.060 0.151 158 HE2 LYS 24 HE2 LYS 24 17.930 3.539 1.701 159 HE3 LYS 24 HE3 LYS 24 19.640 3.388 2.098 160 HZ1 LYS 24 HZ1 LYS 24 18.421 5.713 1.998 161 HZ2 LYS 24 HZ2 LYS 24 18.861 5.606 0.368 162 HZ3 LYS 24 HZ3 LYS 24 20.049 5.538 1.571 163 H TYR 25 H TYR 25 22.624 2.640 -4.315 164 HA TYR 25 HA TYR 25 21.800 0.467 -6.018 165 HB2 TYR 25 HB2 TYR 25 23.206 2.248 -6.918 166 HB3 TYR 25 HB3 TYR 25 24.464 1.875 -5.745 167 HD1 TYR 25 HD2 TYR 25 25.748 -0.236 -5.940 168 HD2 TYR 25 HD1 TYR 25 22.951 0.960 -8.915 169 HE1 TYR 25 HE2 TYR 25 26.749 -1.836 -7.516 170 HE2 TYR 25 HE1 TYR 25 23.944 -0.638 -10.499 171 HH TYR 25 HH TYR 25 26.552 -1.763 -10.586 172 H SER 26 H SER 26 22.215 -1.638 -5.774 173 HA SER 26 HA SER 26 23.909 -2.443 -3.505 174 HB2 SER 26 HB2 SER 26 21.402 -3.563 -4.677 175 HB3 SER 26 HB3 SER 26 22.547 -4.681 -3.939 176 HG SER 26 HG SER 26 21.503 -2.369 -2.666 177 H ILE 27 H ILE 27 25.896 -2.733 -4.371 178 HA ILE 27 HA ILE 27 26.471 -3.698 -6.933 179 HB ILE 27 HB ILE 27 28.286 -4.116 -4.571 180 HG12 ILE 27 HG12 ILE 27 29.005 -1.689 -5.681 181 HG13 ILE 27 HG13 ILE 27 27.246 -1.612 -5.668 182 HG21 ILE 27 HG21 ILE 27 28.604 -3.886 -7.525 183 HG22 ILE 27 HG22 ILE 27 29.923 -3.371 -6.475 184 HG23 ILE 27 HG23 ILE 27 29.332 -5.030 -6.399 185 HD11 ILE 27 HD11 ILE 27 27.703 -2.524 -3.179 186 HD12 ILE 27 HD12 ILE 27 29.161 -1.566 -3.444 187 HD13 ILE 27 HD13 ILE 27 27.572 -0.817 -3.599 188 H LYS 28 H LYS 28 26.251 -5.397 -3.829 189 HA LYS 28 HA LYS 28 27.043 -7.929 -4.720 190 HB2 LYS 28 HB2 LYS 28 25.779 -8.779 -2.736 191 HB3 LYS 28 HB3 LYS 28 26.912 -7.485 -2.367 192 HG2 LYS 28 HG2 LYS 28 24.186 -6.593 -2.981 193 HG3 LYS 28 HG3 LYS 28 24.343 -7.574 -1.522 194 HD2 LYS 28 HD2 LYS 28 26.445 -5.897 -1.225 195 HD3 LYS 28 HD3 LYS 28 25.319 -4.853 -2.095 196 HE2 LYS 28 HE2 LYS 28 24.597 -6.409 0.383 197 HE3 LYS 28 HE3 LYS 28 25.159 -4.738 0.405 198 HZ1 LYS 28 HZ1 LYS 28 22.579 -5.525 0.176 199 HZ2 LYS 28 HZ2 LYS 28 22.994 -5.188 -1.429 200 HZ3 LYS 28 HZ3 LYS 28 23.174 -3.997 -0.241 201 H ARG 29 H ARG 29 23.994 -6.247 -4.960 202 HA ARG 29 HA ARG 29 22.697 -8.644 -6.040 203 HB2 ARG 29 HB2 ARG 29 21.611 -5.978 -5.135 204 HB3 ARG 29 HB3 ARG 29 20.629 -7.180 -5.961 205 HG2 ARG 29 HG2 ARG 29 21.813 -8.608 -3.919 206 HG3 ARG 29 HG3 ARG 29 21.457 -7.042 -3.188 207 HD2 ARG 29 HD2 ARG 29 19.139 -7.384 -4.386 208 HD3 ARG 29 HD3 ARG 29 19.604 -9.084 -4.318 209 HE ARG 29 HE ARG 29 18.738 -7.451 -2.140 210 HH11 ARG 29 HH11 ARG 29 20.748 -10.160 -3.002 211 HH12 ARG 29 HH12 ARG 29 20.674 -10.882 -1.429 212 HH21 ARG 29 HH21 ARG 29 18.633 -8.392 -0.065 213 HH22 ARG 29 HH22 ARG 29 19.470 -9.876 0.241 214 H ASN 30 H ASN 30 24.621 -6.374 -7.226 215 HA ASN 30 HA ASN 30 24.846 -5.226 -9.200 216 HB2 ASN 30 HB2 ASN 30 24.509 -6.653 -11.176 217 HB3 ASN 30 HB3 ASN 30 25.299 -7.537 -9.872 218 HD21 ASN 30 HD21 ASN 30 24.532 -9.473 -9.467 219 HD22 ASN 30 HD22 ASN 30 22.941 -10.037 -9.836 220 H LEU 31 H LEU 31 22.450 -4.537 -7.819 221 HA LEU 31 HA LEU 31 20.946 -3.466 -10.056 222 HB2 LEU 31 HB2 LEU 31 19.668 -5.183 -7.935 223 HB3 LEU 31 HB3 LEU 31 18.776 -4.167 -9.066 224 HG LEU 31 HG LEU 31 20.588 -6.398 -9.961 225 HD11 LEU 31 HD11 LEU 31 18.279 -7.530 -10.351 226 HD12 LEU 31 HD12 LEU 31 17.743 -6.460 -9.056 227 HD13 LEU 31 HD13 LEU 31 19.042 -7.616 -8.763 228 HD21 LEU 31 HD21 LEU 31 18.291 -5.685 -11.589 229 HD22 LEU 31 HD22 LEU 31 19.991 -5.834 -12.034 230 HD23 LEU 31 HD23 LEU 31 19.390 -4.327 -11.341 231 H LYS 32 H LYS 32 18.826 -2.365 -8.757 232 HA LYS 32 HA LYS 32 20.040 -0.748 -6.615 233 HB2 LYS 32 HB2 LYS 32 18.205 0.269 -8.792 234 HB3 LYS 32 HB3 LYS 32 18.911 1.227 -7.497 235 HG2 LYS 32 HG2 LYS 32 20.411 1.740 -9.094 236 HG3 LYS 32 HG3 LYS 32 21.151 0.225 -8.571 237 HD2 LYS 32 HD2 LYS 32 20.733 -0.766 -10.531 238 HD3 LYS 32 HD3 LYS 32 19.069 -0.178 -10.562 239 HE2 LYS 32 HE2 LYS 32 19.586 1.592 -11.857 240 HE3 LYS 32 HE3 LYS 32 21.123 1.869 -11.040 241 HZ1 LYS 32 HZ1 LYS 32 20.783 0.793 -13.529 242 HZ2 LYS 32 HZ2 LYS 32 21.139 -0.547 -12.560 243 HZ3 LYS 32 HZ3 LYS 32 22.206 0.764 -12.615 244 H ILE 33 H ILE 33 18.987 -1.153 -4.791 245 HA ILE 33 HA ILE 33 16.049 -1.304 -4.875 246 HB ILE 33 HB ILE 33 15.955 -3.092 -3.359 247 HG12 ILE 33 HG12 ILE 33 18.892 -2.578 -2.902 248 HG13 ILE 33 HG13 ILE 33 17.580 -2.479 -1.732 249 HG21 ILE 33 HG21 ILE 33 16.748 -3.584 -5.748 250 HG22 ILE 33 HG22 ILE 33 18.317 -3.911 -5.013 251 HG23 ILE 33 HG23 ILE 33 16.908 -4.862 -4.544 252 HD11 ILE 33 HD11 ILE 33 18.934 -4.887 -2.855 253 HD12 ILE 33 HD12 ILE 33 18.608 -4.461 -1.175 254 HD13 ILE 33 HD13 ILE 33 17.294 -5.004 -2.219 255 H CYS 34 H CYS 34 15.167 -1.125 -2.528 256 HA CYS 34 HA CYS 34 16.242 1.338 -1.446 257 HB2 CYS 34 HB2 CYS 34 13.757 -0.276 -0.904 258 HB3 CYS 34 HB3 CYS 34 14.215 1.084 0.117 259 H VAL 35 H VAL 35 16.579 1.623 0.874 260 HA VAL 35 HA VAL 35 17.166 -0.780 2.410 261 HB VAL 35 HB VAL 35 19.307 1.304 1.973 262 HG11 VAL 35 HG11 VAL 35 19.462 0.269 4.138 263 HG12 VAL 35 HG12 VAL 35 19.297 -1.338 3.427 264 HG13 VAL 35 HG13 VAL 35 20.740 -0.374 3.107 265 HG21 VAL 35 HG21 VAL 35 20.492 -0.438 0.699 266 HG22 VAL 35 HG22 VAL 35 19.069 -1.473 0.816 267 HG23 VAL 35 HG23 VAL 35 18.983 0.046 -0.076 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.521 -2.520 -1.551 2 HA2 GLY 1 HA2 GLY 1 1.502 0.129 -1.713 3 HA3 GLY 1 HA3 GLY 1 1.998 -0.700 -0.245 4 H CYS 2 H CYS 2 4.646 -1.140 -0.625 5 HA CYS 2 HA CYS 2 5.906 1.352 -1.430 6 HB2 CYS 2 HB2 CYS 2 7.027 1.653 0.749 7 HB3 CYS 2 HB3 CYS 2 5.279 1.820 0.879 8 H ILE 3 H ILE 3 8.279 1.215 -1.363 9 HA ILE 3 HA ILE 3 9.139 -1.467 -2.103 10 HB ILE 3 HB ILE 3 10.629 1.155 -2.283 11 HG12 ILE 3 HG12 ILE 3 9.840 -0.166 -4.767 12 HG13 ILE 3 HG13 ILE 3 8.460 0.309 -3.782 13 HG21 ILE 3 HG21 ILE 3 12.127 -0.762 -2.136 14 HG22 ILE 3 HG22 ILE 3 11.266 -1.548 -3.459 15 HG23 ILE 3 HG23 ILE 3 12.164 -0.058 -3.752 16 HD11 ILE 3 HD11 ILE 3 10.598 2.314 -4.189 17 HD12 ILE 3 HD12 ILE 3 9.560 1.927 -5.561 18 HD13 ILE 3 HD13 ILE 3 8.852 2.522 -4.060 19 H ALA 4 H ALA 4 10.105 -2.765 -0.703 20 HA ALA 4 HA ALA 4 11.025 -1.793 1.846 21 HB1 ALA 4 HB1 ALA 4 10.326 -4.348 0.686 22 HB2 ALA 4 HB2 ALA 4 11.817 -4.445 1.624 23 HB3 ALA 4 HB3 ALA 4 10.341 -3.843 2.376 24 H LYS 5 H LYS 5 13.187 -2.635 2.684 25 HA LYS 5 HA LYS 5 15.252 -1.572 1.011 26 HB2 LYS 5 HB2 LYS 5 16.748 -2.174 2.905 27 HB3 LYS 5 HB3 LYS 5 15.371 -1.193 3.388 28 HG2 LYS 5 HG2 LYS 5 14.230 -3.341 4.057 29 HG3 LYS 5 HG3 LYS 5 15.788 -4.137 3.823 30 HD2 LYS 5 HD2 LYS 5 16.075 -1.751 5.422 31 HD3 LYS 5 HD3 LYS 5 14.879 -2.843 6.125 32 HE2 LYS 5 HE2 LYS 5 17.540 -3.859 5.194 33 HE3 LYS 5 HE3 LYS 5 17.360 -3.120 6.784 34 HZ1 LYS 5 HZ1 LYS 5 15.307 -5.008 6.380 35 HZ2 LYS 5 HZ2 LYS 5 16.522 -5.002 7.556 36 HZ3 LYS 5 HZ3 LYS 5 16.798 -5.739 6.059 37 H ASN 6 H ASN 6 14.600 -3.315 -0.667 38 HA ASN 6 HA ASN 6 16.745 -5.066 -0.996 39 HB2 ASN 6 HB2 ASN 6 15.249 -6.156 0.909 40 HB3 ASN 6 HB3 ASN 6 14.323 -6.730 -0.475 41 HD21 ASN 6 HD21 ASN 6 14.848 -8.711 -1.003 42 HD22 ASN 6 HD22 ASN 6 16.433 -9.398 -0.955 43 H LYS 7 H LYS 7 13.489 -4.127 -1.736 44 HA LYS 7 HA LYS 7 13.466 -5.482 -4.298 45 HB2 LYS 7 HB2 LYS 7 11.505 -3.497 -3.132 46 HB3 LYS 7 HB3 LYS 7 11.254 -4.468 -4.577 47 HG2 LYS 7 HG2 LYS 7 11.930 -6.210 -2.435 48 HG3 LYS 7 HG3 LYS 7 10.653 -5.117 -1.894 49 HD2 LYS 7 HD2 LYS 7 9.251 -5.747 -3.735 50 HD3 LYS 7 HD3 LYS 7 10.555 -6.683 -4.470 51 HE2 LYS 7 HE2 LYS 7 9.785 -7.397 -1.703 52 HE3 LYS 7 HE3 LYS 7 8.628 -7.783 -2.975 53 HZ1 LYS 7 HZ1 LYS 7 10.599 -8.843 -4.148 54 HZ2 LYS 7 HZ2 LYS 7 9.974 -9.659 -2.805 55 HZ3 LYS 7 HZ3 LYS 7 11.399 -8.759 -2.660 56 H GLU 8 H GLU 8 13.478 -4.469 -6.316 57 HA GLU 8 HA GLU 8 15.294 -2.442 -6.734 58 HB2 GLU 8 HB2 GLU 8 14.658 -2.462 -8.981 59 HB3 GLU 8 HB3 GLU 8 14.219 -4.069 -8.419 60 HG2 GLU 8 HG2 GLU 8 11.894 -3.287 -8.125 61 HG3 GLU 8 HG3 GLU 8 12.364 -1.733 -8.811 62 H CYS 9 H CYS 9 15.095 -0.238 -7.345 63 HA CYS 9 HA CYS 9 12.566 1.107 -6.871 64 HB2 CYS 9 HB2 CYS 9 13.640 0.934 -4.627 65 HB3 CYS 9 HB3 CYS 9 15.017 1.833 -5.254 66 H ALA 10 H ALA 10 12.411 2.206 -8.717 67 HA ALA 10 HA ALA 10 14.751 3.293 -10.028 68 HB1 ALA 10 HB1 ALA 10 12.181 4.097 -11.129 69 HB2 ALA 10 HB2 ALA 10 13.517 3.230 -11.886 70 HB3 ALA 10 HB3 ALA 10 12.326 2.351 -10.927 71 H TRP 11 H TRP 11 15.172 5.468 -10.400 72 HA TRP 11 HA TRP 11 14.542 7.246 -8.312 73 HB2 TRP 11 HB2 TRP 11 15.935 7.473 -10.941 74 HB3 TRP 11 HB3 TRP 11 15.453 8.958 -10.127 75 HD1 TRP 11 HD1 TRP 11 16.383 6.303 -7.688 76 HE1 TRP 11 HE1 TRP 11 18.728 6.762 -6.731 77 HE3 TRP 11 HE3 TRP 11 17.888 9.949 -10.941 78 HZ2 TRP 11 HZ2 TRP 11 20.924 8.448 -7.281 79 HZ3 TRP 11 HZ3 TRP 11 20.125 10.933 -10.656 80 HH2 TRP 11 HH2 TRP 11 21.610 10.197 -8.863 81 H PHE 12 H PHE 12 12.787 6.352 -11.069 82 HA PHE 12 HA PHE 12 10.915 8.567 -10.608 83 HB2 PHE 12 HB2 PHE 12 12.458 8.640 -12.779 84 HB3 PHE 12 HB3 PHE 12 11.218 7.552 -13.393 85 HD1 PHE 12 HD2 PHE 12 11.745 10.894 -11.884 86 HD2 PHE 12 HD1 PHE 12 9.169 8.376 -14.152 87 HE1 PHE 12 HE2 PHE 12 10.310 12.826 -12.393 88 HE2 PHE 12 HE1 PHE 12 7.730 10.305 -14.666 89 HZ PHE 12 HZ PHE 12 8.299 12.534 -13.785 90 H SER 13 H SER 13 11.085 5.660 -9.865 91 HA SER 13 HA SER 13 9.292 4.112 -11.334 92 HB2 SER 13 HB2 SER 13 9.006 2.803 -9.230 93 HB3 SER 13 HB3 SER 13 10.696 3.117 -9.625 94 HG SER 13 HG SER 13 10.238 5.085 -8.174 95 H GLY 14 H GLY 14 8.729 6.791 -9.254 96 HA2 GLY 14 HA2 GLY 14 6.707 7.989 -9.162 97 HA3 GLY 14 HA3 GLY 14 5.864 6.569 -9.763 98 H GLU 15 H GLU 15 7.361 4.937 -7.682 99 HA GLU 15 HA GLU 15 5.490 5.512 -5.498 100 HB2 GLU 15 HB2 GLU 15 6.175 3.173 -4.743 101 HB3 GLU 15 HB3 GLU 15 5.230 3.286 -6.221 102 HG2 GLU 15 HG2 GLU 15 8.132 3.347 -6.617 103 HG3 GLU 15 HG3 GLU 15 7.505 1.845 -5.942 104 H TRP 16 H TRP 16 6.521 4.520 -3.316 105 HA TRP 16 HA TRP 16 9.222 5.636 -3.005 106 HB2 TRP 16 HB2 TRP 16 7.086 6.061 -0.924 107 HB3 TRP 16 HB3 TRP 16 8.641 6.873 -1.080 108 HD1 TRP 16 HD1 TRP 16 8.597 7.988 -3.943 109 HE1 TRP 16 HE1 TRP 16 6.886 9.765 -4.676 110 HE3 TRP 16 HE3 TRP 16 5.020 7.189 -0.379 111 HZ2 TRP 16 HZ2 TRP 16 4.355 10.705 -3.852 112 HZ3 TRP 16 HZ3 TRP 16 2.984 8.570 -0.421 113 HH2 TRP 16 HH2 TRP 16 2.661 10.291 -2.122 114 H CYS 17 H CYS 17 10.354 4.868 -1.088 115 HA CYS 17 HA CYS 17 9.904 2.059 -0.681 116 HB2 CYS 17 HB2 CYS 17 11.898 3.756 0.811 117 HB3 CYS 17 HB3 CYS 17 11.991 2.038 0.438 118 H CYS 18 H CYS 18 9.904 1.095 1.515 119 HA CYS 18 HA CYS 18 7.776 2.183 3.062 120 HB2 CYS 18 HB2 CYS 18 9.660 -0.062 3.810 121 HB3 CYS 18 HB3 CYS 18 8.069 0.251 4.494 122 H GLY 19 H GLY 19 7.987 2.383 5.503 123 HA2 GLY 19 HA2 GLY 19 8.784 3.634 7.257 124 HA3 GLY 19 HA3 GLY 19 10.347 2.950 6.834 125 H ALA 20 H ALA 20 11.888 4.285 6.125 126 HA ALA 20 HA ALA 20 11.191 6.785 4.818 127 HB1 ALA 20 HB1 ALA 20 11.966 8.249 6.387 128 HB2 ALA 20 HB2 ALA 20 11.335 6.989 7.448 129 HB3 ALA 20 HB3 ALA 20 13.063 7.070 7.108 130 H LEU 21 H LEU 21 12.486 4.457 3.873 131 HA LEU 21 HA LEU 21 15.315 5.196 3.718 132 HB2 LEU 21 HB2 LEU 21 14.056 2.766 2.488 133 HB3 LEU 21 HB3 LEU 21 15.744 3.027 2.922 134 HG LEU 21 HG LEU 21 13.669 2.959 5.071 135 HD11 LEU 21 HD11 LEU 21 14.960 0.397 4.507 136 HD12 LEU 21 HD12 LEU 21 13.795 0.902 3.284 137 HD13 LEU 21 HD13 LEU 21 13.296 0.756 4.969 138 HD21 LEU 21 HD21 LEU 21 16.208 1.608 5.472 139 HD22 LEU 21 HD22 LEU 21 15.438 2.878 6.424 140 HD23 LEU 21 HD23 LEU 21 16.409 3.299 5.013 141 H SER 22 H SER 22 16.389 5.227 1.635 142 HA SER 22 HA SER 22 14.601 6.185 -0.501 143 HB2 SER 22 HB2 SER 22 16.210 7.855 0.467 144 HB3 SER 22 HB3 SER 22 17.530 6.854 -0.138 145 HG SER 22 HG SER 22 17.263 7.843 -1.960 146 H CYS 23 H CYS 23 16.133 6.130 -2.674 147 HA CYS 23 HA CYS 23 16.616 3.265 -3.060 148 HB2 CYS 23 HB2 CYS 23 16.461 5.336 -5.242 149 HB3 CYS 23 HB3 CYS 23 16.201 3.599 -5.363 150 H LYS 24 H LYS 24 18.649 2.615 -2.885 151 HA LYS 24 HA LYS 24 20.771 4.333 -3.989 152 HB2 LYS 24 HB2 LYS 24 21.298 2.504 -1.674 153 HB3 LYS 24 HB3 LYS 24 22.185 3.936 -2.181 154 HG2 LYS 24 HG2 LYS 24 21.147 4.790 -0.360 155 HG3 LYS 24 HG3 LYS 24 19.891 5.113 -1.558 156 HD2 LYS 24 HD2 LYS 24 18.651 3.192 -0.889 157 HD3 LYS 24 HD3 LYS 24 19.979 2.611 0.119 158 HE2 LYS 24 HE2 LYS 24 18.596 5.237 0.608 159 HE3 LYS 24 HE3 LYS 24 18.035 3.724 1.317 160 HZ1 LYS 24 HZ1 LYS 24 19.777 3.632 2.729 161 HZ2 LYS 24 HZ2 LYS 24 19.763 5.310 2.522 162 HZ3 LYS 24 HZ3 LYS 24 20.859 4.360 1.651 163 H TYR 25 H TYR 25 22.852 2.993 -4.306 164 HA TYR 25 HA TYR 25 22.165 0.785 -6.021 165 HB2 TYR 25 HB2 TYR 25 23.904 2.395 -6.670 166 HB3 TYR 25 HB3 TYR 25 24.871 1.919 -5.278 167 HD1 TYR 25 HD1 TYR 25 25.803 -0.409 -5.178 168 HD2 TYR 25 HD2 TYR 25 23.962 1.150 -8.683 169 HE1 TYR 25 HE1 TYR 25 26.870 -2.175 -6.517 170 HE2 TYR 25 HE2 TYR 25 25.023 -0.611 -10.031 171 HH TYR 25 HH TYR 25 26.811 -2.142 -9.981 172 H SER 26 H SER 26 22.455 -1.347 -5.670 173 HA SER 26 HA SER 26 23.603 -2.143 -3.074 174 HB2 SER 26 HB2 SER 26 21.111 -2.979 -4.467 175 HB3 SER 26 HB3 SER 26 22.003 -4.229 -3.599 176 HG SER 26 HG SER 26 21.475 -3.335 -1.756 177 H ILE 27 H ILE 27 25.608 -2.816 -3.585 178 HA ILE 27 HA ILE 27 26.402 -4.012 -5.986 179 HB ILE 27 HB ILE 27 27.752 -4.563 -3.355 180 HG12 ILE 27 HG12 ILE 27 29.001 -2.334 -4.404 181 HG13 ILE 27 HG13 ILE 27 27.296 -1.993 -4.680 182 HG21 ILE 27 HG21 ILE 27 29.345 -3.879 -5.703 183 HG22 ILE 27 HG22 ILE 27 29.501 -5.228 -4.579 184 HG23 ILE 27 HG23 ILE 27 28.355 -5.323 -5.916 185 HD11 ILE 27 HD11 ILE 27 28.822 -2.124 -2.173 186 HD12 ILE 27 HD12 ILE 27 27.422 -1.142 -2.609 187 HD13 ILE 27 HD13 ILE 27 27.204 -2.824 -2.126 188 H LYS 28 H LYS 28 25.375 -5.448 -2.918 189 HA LYS 28 HA LYS 28 25.916 -8.124 -3.518 190 HB2 LYS 28 HB2 LYS 28 24.111 -8.616 -1.825 191 HB3 LYS 28 HB3 LYS 28 25.393 -7.548 -1.269 192 HG2 LYS 28 HG2 LYS 28 23.865 -6.067 -0.675 193 HG3 LYS 28 HG3 LYS 28 23.389 -5.902 -2.367 194 HD2 LYS 28 HD2 LYS 28 21.393 -6.512 -1.392 195 HD3 LYS 28 HD3 LYS 28 22.026 -8.083 -1.889 196 HE2 LYS 28 HE2 LYS 28 22.593 -8.681 0.277 197 HE3 LYS 28 HE3 LYS 28 22.640 -7.009 0.834 198 HZ1 LYS 28 HZ1 LYS 28 20.062 -7.935 -0.113 199 HZ2 LYS 28 HZ2 LYS 28 20.445 -6.992 1.238 200 HZ3 LYS 28 HZ3 LYS 28 20.614 -8.674 1.306 201 H ARG 29 H ARG 29 23.136 -6.101 -4.283 202 HA ARG 29 HA ARG 29 21.799 -8.347 -5.590 203 HB2 ARG 29 HB2 ARG 29 20.923 -5.522 -4.987 204 HB3 ARG 29 HB3 ARG 29 19.959 -6.647 -5.935 205 HG2 ARG 29 HG2 ARG 29 20.603 -8.054 -3.629 206 HG3 ARG 29 HG3 ARG 29 20.243 -6.417 -3.075 207 HD2 ARG 29 HD2 ARG 29 18.099 -7.046 -3.150 208 HD3 ARG 29 HD3 ARG 29 18.251 -6.879 -4.898 209 HE ARG 29 HE ARG 29 19.023 -9.464 -3.893 210 HH11 ARG 29 HH11 ARG 29 16.392 -7.488 -5.031 211 HH12 ARG 29 HH12 ARG 29 15.412 -8.836 -5.505 212 HH21 ARG 29 HH21 ARG 29 17.742 -11.247 -4.513 213 HH22 ARG 29 HH22 ARG 29 16.181 -10.974 -5.208 214 H ASN 30 H ASN 30 24.158 -6.295 -6.418 215 HA ASN 30 HA ASN 30 24.886 -5.281 -8.342 216 HB2 ASN 30 HB2 ASN 30 24.845 -6.765 -10.287 217 HB3 ASN 30 HB3 ASN 30 25.210 -7.674 -8.824 218 HD21 ASN 30 HD21 ASN 30 22.975 -7.157 -11.387 219 HD22 ASN 30 HD22 ASN 30 21.907 -8.461 -11.009 220 H LEU 31 H LEU 31 22.287 -4.381 -7.485 221 HA LEU 31 HA LEU 31 21.411 -3.210 -9.985 222 HB2 LEU 31 HB2 LEU 31 19.539 -4.817 -8.254 223 HB3 LEU 31 HB3 LEU 31 19.037 -3.769 -9.579 224 HG LEU 31 HG LEU 31 20.832 -6.161 -9.947 225 HD11 LEU 31 HD11 LEU 31 18.474 -6.892 -11.039 226 HD12 LEU 31 HD12 LEU 31 17.914 -5.977 -9.640 227 HD13 LEU 31 HD13 LEU 31 18.999 -7.349 -9.419 228 HD21 LEU 31 HD21 LEU 31 20.800 -4.281 -11.647 229 HD22 LEU 31 HD22 LEU 31 19.125 -4.731 -11.968 230 HD23 LEU 31 HD23 LEU 31 20.421 -5.893 -12.254 231 H LYS 32 H LYS 32 19.143 -1.951 -9.213 232 HA LYS 32 HA LYS 32 20.089 -0.243 -7.014 233 HB2 LYS 32 HB2 LYS 32 17.943 0.576 -8.938 234 HB3 LYS 32 HB3 LYS 32 19.069 1.583 -8.037 235 HG2 LYS 32 HG2 LYS 32 19.733 -0.158 -10.403 236 HG3 LYS 32 HG3 LYS 32 19.610 1.603 -10.393 237 HD2 LYS 32 HD2 LYS 32 21.445 1.615 -8.672 238 HD3 LYS 32 HD3 LYS 32 21.644 -0.112 -8.977 239 HE2 LYS 32 HE2 LYS 32 21.619 1.608 -11.368 240 HE3 LYS 32 HE3 LYS 32 22.993 1.834 -10.287 241 HZ1 LYS 32 HZ1 LYS 32 23.800 0.151 -11.537 242 HZ2 LYS 32 HZ2 LYS 32 22.275 -0.470 -11.922 243 HZ3 LYS 32 HZ3 LYS 32 22.964 -0.797 -10.412 244 H ILE 33 H ILE 33 19.129 -0.644 -5.138 245 HA ILE 33 HA ILE 33 16.218 -1.014 -5.104 246 HB ILE 33 HB ILE 33 16.268 -2.833 -3.623 247 HG12 ILE 33 HG12 ILE 33 19.210 -2.234 -3.296 248 HG13 ILE 33 HG13 ILE 33 17.953 -2.141 -2.068 249 HG21 ILE 33 HG21 ILE 33 18.584 -3.486 -5.418 250 HG22 ILE 33 HG22 ILE 33 17.285 -4.542 -4.867 251 HG23 ILE 33 HG23 ILE 33 16.949 -3.269 -6.040 252 HD11 ILE 33 HD11 ILE 33 18.739 -4.142 -1.459 253 HD12 ILE 33 HD12 ILE 33 17.771 -4.739 -2.807 254 HD13 ILE 33 HD13 ILE 33 19.494 -4.436 -3.025 255 H CYS 34 H CYS 34 15.441 -0.924 -2.711 256 HA CYS 34 HA CYS 34 16.459 1.564 -1.627 257 HB2 CYS 34 HB2 CYS 34 14.061 -0.155 -1.029 258 HB3 CYS 34 HB3 CYS 34 14.512 1.187 0.017 259 H VAL 35 H VAL 35 16.827 1.804 0.713 260 HA VAL 35 HA VAL 35 17.650 -0.617 2.116 261 HB VAL 35 HB VAL 35 19.564 1.695 1.797 262 HG11 VAL 35 HG11 VAL 35 20.933 0.643 3.239 263 HG12 VAL 35 HG12 VAL 35 19.449 -0.140 3.785 264 HG13 VAL 35 HG13 VAL 35 20.509 -0.958 2.636 265 HG21 VAL 35 HG21 VAL 35 20.881 0.211 0.355 266 HG22 VAL 35 HG22 VAL 35 19.596 -0.995 0.428 267 HG23 VAL 35 HG23 VAL 35 19.301 0.563 -0.344 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.112 1.038 -2.948 2 HA2 GLY 1 HA2 GLY 1 1.657 0.027 -0.728 3 HA3 GLY 1 HA3 GLY 1 2.479 -1.232 -1.638 4 H CYS 2 H CYS 2 4.440 -0.813 -0.574 5 HA CYS 2 HA CYS 2 5.859 1.518 -1.641 6 HB2 CYS 2 HB2 CYS 2 6.950 1.873 0.565 7 HB3 CYS 2 HB3 CYS 2 5.219 2.191 0.593 8 H ILE 3 H ILE 3 8.224 1.296 -1.488 9 HA ILE 3 HA ILE 3 8.997 -1.455 -2.040 10 HB ILE 3 HB ILE 3 10.664 1.051 -2.285 11 HG12 ILE 3 HG12 ILE 3 9.856 -0.104 -4.794 12 HG13 ILE 3 HG13 ILE 3 8.433 0.247 -3.819 13 HG21 ILE 3 HG21 ILE 3 11.128 -1.465 -3.817 14 HG22 ILE 3 HG22 ILE 3 12.269 -0.206 -3.347 15 HG23 ILE 3 HG23 ILE 3 11.681 -1.355 -2.145 16 HD11 ILE 3 HD11 ILE 3 8.574 2.355 -4.456 17 HD12 ILE 3 HD12 ILE 3 10.118 2.485 -3.613 18 HD13 ILE 3 HD13 ILE 3 10.078 2.028 -5.315 19 H ALA 4 H ALA 4 9.836 -2.703 -0.518 20 HA ALA 4 HA ALA 4 10.716 -1.626 1.998 21 HB1 ALA 4 HB1 ALA 4 11.037 -4.481 1.128 22 HB2 ALA 4 HB2 ALA 4 10.824 -3.839 2.758 23 HB3 ALA 4 HB3 ALA 4 9.475 -3.826 1.621 24 H LYS 5 H LYS 5 12.816 -2.506 2.958 25 HA LYS 5 HA LYS 5 14.976 -1.600 1.310 26 HB2 LYS 5 HB2 LYS 5 16.376 -2.227 3.307 27 HB3 LYS 5 HB3 LYS 5 15.090 -1.071 3.632 28 HG2 LYS 5 HG2 LYS 5 14.253 -3.829 4.023 29 HG3 LYS 5 HG3 LYS 5 15.608 -3.362 5.054 30 HD2 LYS 5 HD2 LYS 5 14.371 -1.506 5.939 31 HD3 LYS 5 HD3 LYS 5 13.062 -1.768 4.785 32 HE2 LYS 5 HE2 LYS 5 13.383 -4.209 6.099 33 HE3 LYS 5 HE3 LYS 5 13.521 -2.987 7.362 34 HZ1 LYS 5 HZ1 LYS 5 11.354 -2.587 5.482 35 HZ2 LYS 5 HZ2 LYS 5 11.373 -2.420 7.164 36 HZ3 LYS 5 HZ3 LYS 5 11.200 -3.952 6.469 37 H ASN 6 H ASN 6 14.399 -3.365 -0.326 38 HA ASN 6 HA ASN 6 16.465 -5.236 -0.426 39 HB2 ASN 6 HB2 ASN 6 14.770 -6.173 1.390 40 HB3 ASN 6 HB3 ASN 6 13.922 -6.749 -0.042 41 HD21 ASN 6 HD21 ASN 6 14.348 -8.880 0.705 42 HD22 ASN 6 HD22 ASN 6 15.895 -9.606 0.448 43 H LYS 7 H LYS 7 13.294 -4.218 -1.436 44 HA LYS 7 HA LYS 7 13.442 -5.632 -3.962 45 HB2 LYS 7 HB2 LYS 7 11.432 -3.552 -3.089 46 HB3 LYS 7 HB3 LYS 7 11.267 -4.690 -4.420 47 HG2 LYS 7 HG2 LYS 7 11.773 -6.171 -2.052 48 HG3 LYS 7 HG3 LYS 7 10.492 -5.005 -1.716 49 HD2 LYS 7 HD2 LYS 7 9.109 -5.869 -3.398 50 HD3 LYS 7 HD3 LYS 7 10.444 -6.716 -4.183 51 HE2 LYS 7 HE2 LYS 7 9.501 -8.489 -3.126 52 HE3 LYS 7 HE3 LYS 7 10.532 -7.927 -1.811 53 HZ1 LYS 7 HZ1 LYS 7 7.698 -7.116 -2.143 54 HZ2 LYS 7 HZ2 LYS 7 8.698 -6.819 -0.811 55 HZ3 LYS 7 HZ3 LYS 7 8.199 -8.398 -1.159 56 H GLU 8 H GLU 8 13.685 -4.688 -5.984 57 HA GLU 8 HA GLU 8 15.442 -2.483 -6.136 58 HB2 GLU 8 HB2 GLU 8 15.497 -2.854 -8.430 59 HB3 GLU 8 HB3 GLU 8 15.083 -4.441 -7.797 60 HG2 GLU 8 HG2 GLU 8 12.709 -3.978 -8.272 61 HG3 GLU 8 HG3 GLU 8 13.181 -2.438 -8.989 62 H CYS 9 H CYS 9 15.124 -0.400 -6.984 63 HA CYS 9 HA CYS 9 12.418 0.531 -7.466 64 HB2 CYS 9 HB2 CYS 9 12.586 2.340 -5.784 65 HB3 CYS 9 HB3 CYS 9 12.562 0.740 -5.049 66 H ALA 10 H ALA 10 12.342 2.270 -8.807 67 HA ALA 10 HA ALA 10 14.904 3.192 -9.876 68 HB1 ALA 10 HB1 ALA 10 12.477 4.146 -11.196 69 HB2 ALA 10 HB2 ALA 10 13.899 3.348 -11.869 70 HB3 ALA 10 HB3 ALA 10 12.615 2.389 -11.134 71 H TRP 11 H TRP 11 15.439 5.369 -10.072 72 HA TRP 11 HA TRP 11 14.681 7.046 -7.956 73 HB2 TRP 11 HB2 TRP 11 16.254 7.411 -10.471 74 HB3 TRP 11 HB3 TRP 11 15.777 8.840 -9.559 75 HD1 TRP 11 HD1 TRP 11 16.469 5.940 -7.323 76 HE1 TRP 11 HE1 TRP 11 18.763 6.224 -6.193 77 HE3 TRP 11 HE3 TRP 11 18.282 9.810 -10.128 78 HZ2 TRP 11 HZ2 TRP 11 21.041 7.871 -6.454 79 HZ3 TRP 11 HZ3 TRP 11 20.527 10.682 -9.623 80 HH2 TRP 11 HH2 TRP 11 21.876 9.731 -7.823 81 H PHE 12 H PHE 12 13.151 6.400 -10.924 82 HA PHE 12 HA PHE 12 11.297 8.632 -10.456 83 HB2 PHE 12 HB2 PHE 12 13.001 8.770 -12.501 84 HB3 PHE 12 HB3 PHE 12 11.775 7.763 -13.265 85 HD1 PHE 12 HD1 PHE 12 12.286 10.990 -11.516 86 HD2 PHE 12 HD2 PHE 12 9.827 8.707 -14.134 87 HE1 PHE 12 HE1 PHE 12 10.956 12.999 -12.013 88 HE2 PHE 12 HE2 PHE 12 8.493 10.713 -14.636 89 HZ PHE 12 HZ PHE 12 9.057 12.863 -13.576 90 H SER 13 H SER 13 11.307 5.702 -9.844 91 HA SER 13 HA SER 13 9.551 4.328 -11.551 92 HB2 SER 13 HB2 SER 13 9.151 2.843 -9.586 93 HB3 SER 13 HB3 SER 13 10.863 3.133 -9.898 94 HG SER 13 HG SER 13 10.366 4.993 -8.287 95 H GLY 14 H GLY 14 8.997 6.895 -9.378 96 HA2 GLY 14 HA2 GLY 14 6.994 8.123 -9.270 97 HA3 GLY 14 HA3 GLY 14 6.133 6.733 -9.913 98 H GLU 15 H GLU 15 7.624 5.050 -7.845 99 HA GLU 15 HA GLU 15 5.720 5.570 -5.677 100 HB2 GLU 15 HB2 GLU 15 6.452 3.218 -4.958 101 HB3 GLU 15 HB3 GLU 15 5.471 3.359 -6.410 102 HG2 GLU 15 HG2 GLU 15 8.365 3.450 -6.867 103 HG3 GLU 15 HG3 GLU 15 7.758 1.926 -6.222 104 H TRP 16 H TRP 16 6.653 4.689 -3.470 105 HA TRP 16 HA TRP 16 9.388 5.705 -3.110 106 HB2 TRP 16 HB2 TRP 16 7.273 6.269 -1.056 107 HB3 TRP 16 HB3 TRP 16 8.811 7.086 -1.319 108 HD1 TRP 16 HD1 TRP 16 8.732 8.151 -4.136 109 HE1 TRP 16 HE1 TRP 16 6.942 9.807 -4.959 110 HE3 TRP 16 HE3 TRP 16 5.103 7.220 -0.657 111 HZ2 TRP 16 HZ2 TRP 16 4.336 10.613 -4.230 112 HZ3 TRP 16 HZ3 TRP 16 2.992 8.477 -0.790 113 HH2 TRP 16 HH2 TRP 16 2.618 10.138 -2.540 114 H CYS 17 H CYS 17 10.484 4.898 -1.232 115 HA CYS 17 HA CYS 17 9.924 2.147 -0.729 116 HB2 CYS 17 HB2 CYS 17 11.872 3.865 0.805 117 HB3 CYS 17 HB3 CYS 17 11.938 2.126 0.537 118 H CYS 18 H CYS 18 9.801 1.235 1.491 119 HA CYS 18 HA CYS 18 7.610 2.395 2.896 120 HB2 CYS 18 HB2 CYS 18 9.410 0.094 3.686 121 HB3 CYS 18 HB3 CYS 18 7.868 0.494 4.436 122 H GLY 19 H GLY 19 7.720 2.585 5.365 123 HA2 GLY 19 HA2 GLY 19 8.446 3.859 7.134 124 HA3 GLY 19 HA3 GLY 19 10.017 3.148 6.792 125 H ALA 20 H ALA 20 11.608 4.458 6.155 126 HA ALA 20 HA ALA 20 11.014 6.946 4.778 127 HB1 ALA 20 HB1 ALA 20 12.387 6.910 7.462 128 HB2 ALA 20 HB2 ALA 20 12.297 8.307 6.389 129 HB3 ALA 20 HB3 ALA 20 10.823 7.634 7.084 130 H LEU 21 H LEU 21 12.342 4.561 3.977 131 HA LEU 21 HA LEU 21 15.178 5.281 3.944 132 HB2 LEU 21 HB2 LEU 21 13.965 2.834 2.703 133 HB3 LEU 21 HB3 LEU 21 15.629 3.091 3.226 134 HG LEU 21 HG LEU 21 13.522 3.162 5.313 135 HD11 LEU 21 HD11 LEU 21 12.907 1.011 5.224 136 HD12 LEU 21 HD12 LEU 21 14.511 0.468 4.734 137 HD13 LEU 21 HD13 LEU 21 13.392 1.109 3.532 138 HD21 LEU 21 HD21 LEU 21 15.857 1.519 5.755 139 HD22 LEU 21 HD22 LEU 21 15.283 2.926 6.650 140 HD23 LEU 21 HD23 LEU 21 16.300 3.141 5.225 141 H SER 22 H SER 22 16.359 5.199 1.903 142 HA SER 22 HA SER 22 14.704 6.180 -0.327 143 HB2 SER 22 HB2 SER 22 17.372 6.975 0.723 144 HB3 SER 22 HB3 SER 22 17.141 7.046 -1.024 145 HG SER 22 HG SER 22 16.454 8.986 -0.332 146 H CYS 23 H CYS 23 16.336 6.003 -2.430 147 HA CYS 23 HA CYS 23 16.661 3.109 -2.748 148 HB2 CYS 23 HB2 CYS 23 16.387 5.360 -4.742 149 HB3 CYS 23 HB3 CYS 23 16.780 3.709 -5.210 150 H LYS 24 H LYS 24 18.620 2.260 -2.631 151 HA LYS 24 HA LYS 24 20.927 3.918 -3.414 152 HB2 LYS 24 HB2 LYS 24 20.980 1.758 -1.306 153 HB3 LYS 24 HB3 LYS 24 22.246 2.919 -1.683 154 HG2 LYS 24 HG2 LYS 24 21.368 3.860 0.198 155 HG3 LYS 24 HG3 LYS 24 20.397 4.666 -1.037 156 HD2 LYS 24 HD2 LYS 24 18.526 3.340 -0.599 157 HD3 LYS 24 HD3 LYS 24 19.480 2.102 0.221 158 HE2 LYS 24 HE2 LYS 24 18.085 3.540 1.729 159 HE3 LYS 24 HE3 LYS 24 19.803 3.496 2.121 160 HZ1 LYS 24 HZ1 LYS 24 20.105 5.645 1.465 161 HZ2 LYS 24 HZ2 LYS 24 18.511 5.746 2.020 162 HZ3 LYS 24 HZ3 LYS 24 18.823 5.626 0.362 163 H TYR 25 H TYR 25 22.701 2.824 -4.379 164 HA TYR 25 HA TYR 25 21.887 0.618 -6.044 165 HB2 TYR 25 HB2 TYR 25 23.249 2.416 -6.983 166 HB3 TYR 25 HB3 TYR 25 24.534 2.070 -5.832 167 HD1 TYR 25 HD2 TYR 25 25.851 -0.015 -6.040 168 HD2 TYR 25 HD1 TYR 25 22.967 1.102 -8.961 169 HE1 TYR 25 HE2 TYR 25 26.845 -1.613 -7.623 170 HE2 TYR 25 HE1 TYR 25 23.952 -0.494 -10.553 171 HH TYR 25 HH TYR 25 26.960 -1.903 -10.119 172 H SER 26 H SER 26 22.315 -1.476 -5.760 173 HA SER 26 HA SER 26 24.092 -2.224 -3.535 174 HB2 SER 26 HB2 SER 26 21.527 -3.337 -4.555 175 HB3 SER 26 HB3 SER 26 22.707 -4.482 -3.916 176 HG SER 26 HG SER 26 22.607 -3.504 -1.956 177 H ILE 27 H ILE 27 26.043 -2.478 -4.514 178 HA ILE 27 HA ILE 27 26.549 -3.477 -7.055 179 HB ILE 27 HB ILE 27 28.398 -3.952 -4.728 180 HG12 ILE 27 HG12 ILE 27 29.149 -1.537 -5.851 181 HG13 ILE 27 HG13 ILE 27 27.394 -1.422 -5.795 182 HG21 ILE 27 HG21 ILE 27 28.907 -3.317 -7.632 183 HG22 ILE 27 HG22 ILE 27 30.136 -3.617 -6.404 184 HG23 ILE 27 HG23 ILE 27 29.038 -4.909 -6.886 185 HD11 ILE 27 HD11 ILE 27 27.797 -0.635 -3.733 186 HD12 ILE 27 HD12 ILE 27 27.885 -2.348 -3.321 187 HD13 ILE 27 HD13 ILE 27 29.364 -1.435 -3.616 188 H LYS 28 H LYS 28 26.391 -5.209 -3.961 189 HA LYS 28 HA LYS 28 27.118 -7.740 -4.860 190 HB2 LYS 28 HB2 LYS 28 25.790 -8.583 -2.907 191 HB3 LYS 28 HB3 LYS 28 26.953 -7.325 -2.509 192 HG2 LYS 28 HG2 LYS 28 25.311 -6.237 -1.500 193 HG3 LYS 28 HG3 LYS 28 24.590 -5.966 -3.089 194 HD2 LYS 28 HD2 LYS 28 22.893 -6.951 -1.778 195 HD3 LYS 28 HD3 LYS 28 23.497 -8.240 -2.822 196 HE2 LYS 28 HE2 LYS 28 24.509 -9.352 -1.090 197 HE3 LYS 28 HE3 LYS 28 24.734 -7.886 -0.138 198 HZ1 LYS 28 HZ1 LYS 28 22.014 -8.885 -0.635 199 HZ2 LYS 28 HZ2 LYS 28 22.598 -7.968 0.661 200 HZ3 LYS 28 HZ3 LYS 28 22.960 -9.618 0.561 201 H ARG 29 H ARG 29 23.996 -6.109 -4.937 202 HA ARG 29 HA ARG 29 22.738 -8.452 -6.140 203 HB2 ARG 29 HB2 ARG 29 21.648 -5.803 -5.188 204 HB3 ARG 29 HB3 ARG 29 20.669 -6.990 -6.040 205 HG2 ARG 29 HG2 ARG 29 21.854 -8.450 -4.017 206 HG3 ARG 29 HG3 ARG 29 21.479 -6.899 -3.262 207 HD2 ARG 29 HD2 ARG 29 19.448 -7.814 -2.954 208 HD3 ARG 29 HD3 ARG 29 19.195 -7.358 -4.638 209 HE ARG 29 HE ARG 29 20.298 -9.836 -4.796 210 HH11 ARG 29 HH11 ARG 29 17.557 -8.502 -3.114 211 HH12 ARG 29 HH12 ARG 29 16.647 -9.976 -3.160 212 HH21 ARG 29 HH21 ARG 29 19.110 -11.782 -4.862 213 HH22 ARG 29 HH22 ARG 29 17.532 -11.841 -4.153 214 H ASN 30 H ASN 30 24.666 -6.163 -7.278 215 HA ASN 30 HA ASN 30 24.900 -4.979 -9.229 216 HB2 ASN 30 HB2 ASN 30 24.564 -6.367 -11.233 217 HB3 ASN 30 HB3 ASN 30 25.345 -7.279 -9.945 218 HD21 ASN 30 HD21 ASN 30 24.567 -9.219 -9.578 219 HD22 ASN 30 HD22 ASN 30 22.975 -9.769 -9.963 220 H LEU 31 H LEU 31 22.500 -4.313 -7.839 221 HA LEU 31 HA LEU 31 21.006 -3.191 -10.058 222 HB2 LEU 31 HB2 LEU 31 19.716 -4.947 -7.976 223 HB3 LEU 31 HB3 LEU 31 18.831 -3.907 -9.090 224 HG LEU 31 HG LEU 31 20.640 -6.128 -10.018 225 HD11 LEU 31 HD11 LEU 31 19.081 -7.365 -8.862 226 HD12 LEU 31 HD12 LEU 31 18.322 -7.234 -10.448 227 HD13 LEU 31 HD13 LEU 31 17.791 -6.192 -9.128 228 HD21 LEU 31 HD21 LEU 31 20.142 -5.407 -12.056 229 HD22 LEU 31 HD22 LEU 31 19.324 -4.021 -11.334 230 HD23 LEU 31 HD23 LEU 31 18.416 -5.488 -11.706 231 H LYS 32 H LYS 32 18.886 -2.112 -8.742 232 HA LYS 32 HA LYS 32 20.119 -0.512 -6.596 233 HB2 LYS 32 HB2 LYS 32 18.329 0.404 -8.849 234 HB3 LYS 32 HB3 LYS 32 18.693 1.391 -7.440 235 HG2 LYS 32 HG2 LYS 32 20.274 2.182 -8.860 236 HG3 LYS 32 HG3 LYS 32 21.182 0.844 -8.151 237 HD2 LYS 32 HD2 LYS 32 21.478 0.761 -10.523 238 HD3 LYS 32 HD3 LYS 32 20.425 -0.579 -10.062 239 HE2 LYS 32 HE2 LYS 32 18.536 0.435 -10.955 240 HE3 LYS 32 HE3 LYS 32 19.257 2.043 -10.910 241 HZ1 LYS 32 HZ1 LYS 32 20.884 1.064 -12.621 242 HZ2 LYS 32 HZ2 LYS 32 19.331 1.493 -13.137 243 HZ3 LYS 32 HZ3 LYS 32 19.709 -0.131 -12.848 244 H ILE 33 H ILE 33 19.151 -1.039 -4.751 245 HA ILE 33 HA ILE 33 16.214 -1.260 -4.736 246 HB ILE 33 HB ILE 33 16.231 -3.060 -3.248 247 HG12 ILE 33 HG12 ILE 33 19.125 -2.363 -2.777 248 HG13 ILE 33 HG13 ILE 33 17.807 -2.386 -1.610 249 HG21 ILE 33 HG21 ILE 33 18.635 -3.748 -4.903 250 HG22 ILE 33 HG22 ILE 33 17.287 -4.779 -4.425 251 HG23 ILE 33 HG23 ILE 33 17.046 -3.517 -5.633 252 HD11 ILE 33 HD11 ILE 33 19.008 -4.290 -1.097 253 HD12 ILE 33 HD12 ILE 33 17.711 -4.910 -2.119 254 HD13 ILE 33 HD13 ILE 33 19.324 -4.671 -2.790 255 H CYS 34 H CYS 34 15.364 -1.061 -2.405 256 HA CYS 34 HA CYS 34 16.425 1.414 -1.332 257 HB2 CYS 34 HB2 CYS 34 13.964 -0.219 -0.716 258 HB3 CYS 34 HB3 CYS 34 14.408 1.213 0.207 259 H VAL 35 H VAL 35 16.760 1.702 0.990 260 HA VAL 35 HA VAL 35 17.357 -0.691 2.532 261 HB VAL 35 HB VAL 35 19.502 1.381 2.060 262 HG11 VAL 35 HG11 VAL 35 19.336 -1.123 3.698 263 HG12 VAL 35 HG12 VAL 35 20.889 -0.500 3.136 264 HG13 VAL 35 HG13 VAL 35 19.867 0.488 4.181 265 HG21 VAL 35 HG21 VAL 35 19.245 -1.412 0.949 266 HG22 VAL 35 HG22 VAL 35 19.169 0.093 0.033 267 HG23 VAL 35 HG23 VAL 35 20.676 -0.391 0.810
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