NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655800 | 6xyh | 34485 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.018 -0.496 -1.091 3 HA3 GLY 1 HA3 GLY 1 1.507 -0.546 -1.989 4 H CYS 2 H CYS 2 4.116 0.844 -2.478 5 HA CYS 2 HA CYS 2 3.847 3.611 -2.116 6 HB2 CYS 2 HB2 CYS 2 5.516 3.813 -3.931 7 HB3 CYS 2 HB3 CYS 2 5.975 2.608 -2.732 8 H LYS 3 H LYS 3 3.229 5.264 -3.566 9 HA LYS 3 HA LYS 3 0.894 4.620 -5.112 10 HB2 LYS 3 HB2 LYS 3 2.316 7.277 -4.889 11 HB3 LYS 3 HB3 LYS 3 0.662 7.006 -5.422 12 HG2 LYS 3 HG2 LYS 3 1.342 6.014 -2.728 13 HG3 LYS 3 HG3 LYS 3 1.312 7.767 -2.940 14 HD2 LYS 3 HD2 LYS 3 -0.942 6.044 -3.916 15 HD3 LYS 3 HD3 LYS 3 -0.863 6.580 -2.236 16 HE2 LYS 3 HE2 LYS 3 -0.403 8.909 -3.543 17 HE3 LYS 3 HE3 LYS 3 -1.469 8.093 -4.686 18 HZ1 LYS 3 HZ1 LYS 3 -2.441 9.542 -2.770 19 HZ2 LYS 3 HZ2 LYS 3 -3.201 8.097 -3.215 20 HZ3 LYS 3 HZ3 LYS 3 -2.208 8.144 -1.846 21 H ASN 4 H ASN 4 0.590 4.916 -7.331 22 HA ASN 4 HA ASN 4 2.949 4.424 -8.926 23 HB2 ASN 4 HB2 ASN 4 0.483 3.442 -9.137 24 HB3 ASN 4 HB3 ASN 4 0.277 4.846 -10.180 25 HD21 ASN 4 HD21 ASN 4 -0.066 2.554 -11.382 26 HD22 ASN 4 HD22 ASN 4 1.288 2.117 -12.362 27 H LEU 5 H LEU 5 2.549 5.581 -11.297 28 HA LEU 5 HA LEU 5 3.418 8.242 -10.888 29 HB2 LEU 5 HB2 LEU 5 4.050 6.802 -12.811 30 HB3 LEU 5 HB3 LEU 5 2.414 6.986 -13.438 31 HG LEU 5 HG LEU 5 2.861 9.468 -13.546 32 HD11 LEU 5 HD11 LEU 5 4.902 9.151 -11.966 33 HD12 LEU 5 HD12 LEU 5 5.764 8.776 -13.458 34 HD13 LEU 5 HD13 LEU 5 4.975 10.341 -13.265 35 HD21 LEU 5 HD21 LEU 5 3.297 9.135 -15.703 36 HD22 LEU 5 HD22 LEU 5 4.876 8.434 -15.351 37 HD23 LEU 5 HD23 LEU 5 3.435 7.419 -15.322 38 H ASN 6 H ASN 6 2.419 10.205 -11.570 39 HA ASN 6 HA ASN 6 0.720 11.718 -11.575 40 HB2 ASN 6 HB2 ASN 6 -1.091 9.642 -12.768 41 HB3 ASN 6 HB3 ASN 6 -1.000 11.366 -13.115 42 HD21 ASN 6 HD21 ASN 6 -0.445 8.465 -14.402 43 HD22 ASN 6 HD22 ASN 6 0.844 8.840 -15.489 44 H SER 7 H SER 7 0.978 9.709 -9.353 45 HA SER 7 HA SER 7 -1.702 9.270 -8.405 46 HB2 SER 7 HB2 SER 7 1.046 8.767 -7.314 47 HB3 SER 7 HB3 SER 7 -0.349 8.683 -6.239 48 HG SER 7 HG SER 7 -1.193 7.048 -7.481 49 H HIS 8 H HIS 8 -2.915 10.625 -7.263 50 HA HIS 8 HA HIS 8 -2.180 13.273 -6.747 51 HB2 HIS 8 HB2 HIS 8 -4.451 11.522 -5.911 52 HB3 HIS 8 HB3 HIS 8 -4.239 13.068 -5.094 53 HD1 HIS 8 HD1 HIS 8 -5.980 11.655 -7.834 54 HD2 HIS 8 HD2 HIS 8 -3.987 15.247 -7.208 55 HE1 HIS 8 HE1 HIS 8 -6.867 13.230 -9.582 56 H CYS 9 H CYS 9 -0.536 13.790 -5.444 57 HA CYS 9 HA CYS 9 -0.613 12.780 -2.685 58 HB2 CYS 9 HB2 CYS 9 1.712 12.371 -2.625 59 HB3 CYS 9 HB3 CYS 9 1.165 11.655 -4.137 60 H TYR 10 H TYR 10 0.574 14.159 -1.153 61 HA TYR 10 HA TYR 10 0.216 16.974 -1.863 62 HB2 TYR 10 HB2 TYR 10 0.819 15.929 0.894 63 HB3 TYR 10 HB3 TYR 10 0.020 17.430 0.441 64 HD1 TYR 10 HD1 TYR 10 -0.762 14.877 2.262 65 HD2 TYR 10 HD2 TYR 10 -1.962 16.398 -1.526 66 HE1 TYR 10 HE1 TYR 10 -2.951 13.785 2.523 67 HE2 TYR 10 HE2 TYR 10 -4.154 15.311 -1.275 68 HH TYR 10 HH TYR 10 -5.048 13.259 0.056 69 H ARG 11 H ARG 11 1.806 18.553 -1.350 70 HA ARG 11 HA ARG 11 4.446 17.780 -2.021 71 HB2 ARG 11 HB2 ARG 11 4.972 20.048 -1.993 72 HB3 ARG 11 HB3 ARG 11 3.253 20.052 -2.366 73 HG2 ARG 11 HG2 ARG 11 4.457 20.520 0.354 74 HG3 ARG 11 HG3 ARG 11 3.833 21.765 -0.730 75 HD2 ARG 11 HD2 ARG 11 1.614 20.676 -0.637 76 HD3 ARG 11 HD3 ARG 11 2.261 19.521 0.528 77 HE ARG 11 HE ARG 11 2.145 21.136 2.157 78 HH11 ARG 11 HH11 ARG 11 1.690 22.595 -0.971 79 HH12 ARG 11 HH12 ARG 11 1.209 24.131 -0.329 80 HH21 ARG 11 HH21 ARG 11 1.513 23.154 3.014 81 HH22 ARG 11 HH22 ARG 11 1.109 24.448 1.938 82 H GLN 12 H GLN 12 2.796 17.514 0.852 83 HA GLN 12 HA GLN 12 4.911 18.159 2.674 84 HB2 GLN 12 HB2 GLN 12 2.210 16.908 2.892 85 HB3 GLN 12 HB3 GLN 12 3.349 16.680 4.213 86 HG2 GLN 12 HG2 GLN 12 3.568 19.329 3.896 87 HG3 GLN 12 HG3 GLN 12 1.910 19.100 3.342 88 HE21 GLN 12 HE21 GLN 12 0.336 18.619 4.793 89 HE22 GLN 12 HE22 GLN 12 0.589 18.548 6.500 90 H HIS 13 H HIS 13 3.351 15.043 1.902 91 HA HIS 13 HA HIS 13 5.780 13.662 2.761 92 HB2 HIS 13 HB2 HIS 13 3.320 12.221 1.855 93 HB3 HIS 13 HB3 HIS 13 4.488 11.768 3.093 94 HD1 HIS 13 HD1 HIS 13 3.934 12.374 5.464 95 HD2 HIS 13 HD2 HIS 13 1.455 14.258 2.714 96 HE1 HIS 13 HE1 HIS 13 2.136 13.483 6.829 97 H ARG 14 H ARG 14 5.666 11.354 1.300 98 HA ARG 14 HA ARG 14 5.421 11.774 -1.496 99 HB2 ARG 14 HB2 ARG 14 7.927 11.512 -1.944 100 HB3 ARG 14 HB3 ARG 14 7.362 13.097 -1.432 101 HG2 ARG 14 HG2 ARG 14 8.170 12.742 0.790 102 HG3 ARG 14 HG3 ARG 14 8.561 11.060 0.428 103 HD2 ARG 14 HD2 ARG 14 9.801 13.393 -1.014 104 HD3 ARG 14 HD3 ARG 14 10.506 12.666 0.429 105 HE ARG 14 HE ARG 14 10.055 10.611 -1.382 106 HH11 ARG 14 HH11 ARG 14 11.981 13.504 -1.170 107 HH12 ARG 14 HH12 ARG 14 13.251 12.888 -2.175 108 HH21 ARG 14 HH21 ARG 14 11.721 9.789 -2.705 109 HH22 ARG 14 HH22 ARG 14 13.102 10.776 -3.048 110 H GLU 15 H GLU 15 4.246 9.799 -0.698 111 HA GLU 15 HA GLU 15 5.922 7.476 -0.209 112 HB2 GLU 15 HB2 GLU 15 3.868 6.278 0.182 113 HB3 GLU 15 HB3 GLU 15 3.798 7.812 1.037 114 HG2 GLU 15 HG2 GLU 15 2.697 8.222 -1.534 115 HG3 GLU 15 HG3 GLU 15 1.988 6.749 -0.875 116 H CYS 16 H CYS 16 6.063 8.849 -2.787 117 HA CYS 16 HA CYS 16 4.692 7.260 -4.731 118 HB2 CYS 16 HB2 CYS 16 7.102 9.047 -5.121 119 HB3 CYS 16 HB3 CYS 16 6.006 8.473 -6.374 120 H CYS 17 H CYS 17 5.500 5.648 -6.060 121 HA CYS 17 HA CYS 17 7.222 3.779 -4.948 122 HB2 CYS 17 HB2 CYS 17 6.333 4.226 -7.794 123 HB3 CYS 17 HB3 CYS 17 7.351 2.865 -7.332 124 H HIS 18 H HIS 18 9.261 2.951 -6.047 125 HA HIS 18 HA HIS 18 11.261 4.933 -5.875 126 HB2 HIS 18 HB2 HIS 18 11.841 2.682 -5.322 127 HB3 HIS 18 HB3 HIS 18 11.316 2.092 -6.896 128 HD1 HIS 18 HD1 HIS 18 13.532 1.136 -7.647 129 HD2 HIS 18 HD2 HIS 18 13.788 5.122 -6.507 130 HE1 HIS 18 HE1 HIS 18 15.826 1.889 -8.349 131 H GLY 19 H GLY 19 11.698 6.459 -7.317 132 HA2 GLY 19 HA2 GLY 19 12.672 6.826 -9.560 133 HA3 GLY 19 HA3 GLY 19 11.394 5.791 -10.180 134 H LEU 20 H LEU 20 9.501 7.106 -8.211 135 HA LEU 20 HA LEU 20 8.919 9.434 -9.900 136 HB2 LEU 20 HB2 LEU 20 7.124 7.984 -7.960 137 HB3 LEU 20 HB3 LEU 20 6.646 9.274 -9.062 138 HG LEU 20 HG LEU 20 7.501 6.478 -9.804 139 HD11 LEU 20 HD11 LEU 20 5.317 6.213 -9.220 140 HD12 LEU 20 HD12 LEU 20 4.903 7.893 -9.560 141 HD13 LEU 20 HD13 LEU 20 5.101 6.747 -10.886 142 HD21 LEU 20 HD21 LEU 20 8.273 7.528 -11.652 143 HD22 LEU 20 HD22 LEU 20 6.565 7.524 -12.090 144 HD23 LEU 20 HD23 LEU 20 7.290 8.967 -11.381 145 H VAL 21 H VAL 21 7.997 11.353 -8.844 146 HA VAL 21 HA VAL 21 8.712 11.715 -6.038 147 HB VAL 21 HB VAL 21 9.970 13.746 -6.432 148 HG11 VAL 21 HG11 VAL 21 11.250 11.703 -6.333 149 HG12 VAL 21 HG12 VAL 21 10.989 11.417 -8.054 150 HG13 VAL 21 HG13 VAL 21 11.969 12.785 -7.526 151 HG21 VAL 21 HG21 VAL 21 10.592 14.464 -8.682 152 HG22 VAL 21 HG22 VAL 21 9.617 13.166 -9.373 153 HG23 VAL 21 HG23 VAL 21 8.840 14.472 -8.477 154 H CYS 22 H CYS 22 7.568 13.338 -4.997 155 HA CYS 22 HA CYS 22 5.068 14.046 -6.190 156 HB2 CYS 22 HB2 CYS 22 6.366 14.454 -3.535 157 HB3 CYS 22 HB3 CYS 22 5.008 15.490 -3.962 158 H ARG 23 H ARG 23 4.963 15.574 -7.702 159 HA ARG 23 HA ARG 23 6.082 18.203 -7.104 160 HB2 ARG 23 HB2 ARG 23 6.598 16.722 -9.689 161 HB3 ARG 23 HB3 ARG 23 6.983 18.414 -9.404 162 HG2 ARG 23 HG2 ARG 23 8.104 16.201 -7.712 163 HG3 ARG 23 HG3 ARG 23 8.883 16.758 -9.195 164 HD2 ARG 23 HD2 ARG 23 8.273 18.407 -6.745 165 HD3 ARG 23 HD3 ARG 23 9.863 17.869 -7.283 166 HE ARG 23 HE ARG 23 8.835 19.308 -9.382 167 HH11 ARG 23 HH11 ARG 23 9.538 19.919 -6.027 168 HH12 ARG 23 HH12 ARG 23 9.874 21.601 -6.269 169 HH21 ARG 23 HH21 ARG 23 9.274 21.522 -9.713 170 HH22 ARG 23 HH22 ARG 23 9.722 22.512 -8.366 171 H ARG 24 H ARG 24 5.006 19.921 -8.106 172 HA ARG 24 HA ARG 24 2.268 19.400 -8.752 173 HB2 ARG 24 HB2 ARG 24 2.154 21.875 -9.087 174 HB3 ARG 24 HB3 ARG 24 2.778 21.390 -7.516 175 HG2 ARG 24 HG2 ARG 24 5.060 21.804 -8.299 176 HG3 ARG 24 HG3 ARG 24 4.423 22.305 -9.867 177 HD2 ARG 24 HD2 ARG 24 3.022 23.987 -8.478 178 HD3 ARG 24 HD3 ARG 24 4.204 23.666 -7.210 179 HE ARG 24 HE ARG 24 4.626 25.146 -9.652 180 HH11 ARG 24 HH11 ARG 24 6.105 23.426 -7.012 181 HH12 ARG 24 HH12 ARG 24 7.634 24.223 -7.178 182 HH21 ARG 24 HH21 ARG 24 6.634 26.203 -9.881 183 HH22 ARG 24 HH22 ARG 24 7.934 25.803 -8.809 184 HA PRO 25 HA PRO 25 2.430 19.142 -13.131 185 HB2 PRO 25 HB2 PRO 25 0.090 20.336 -13.817 186 HB3 PRO 25 HB3 PRO 25 0.169 18.735 -13.071 187 HG2 PRO 25 HG2 PRO 25 -0.408 21.387 -11.808 188 HG3 PRO 25 HG3 PRO 25 -1.206 19.826 -11.546 189 HD2 PRO 25 HD2 PRO 25 0.650 20.818 -9.841 190 HD3 PRO 25 HD3 PRO 25 0.447 19.077 -10.125 191 H ASN 26 H ASN 26 2.305 20.455 -15.150 192 HA ASN 26 HA ASN 26 3.798 22.875 -14.828 193 HB2 ASN 26 HB2 ASN 26 3.853 21.080 -16.753 194 HB3 ASN 26 HB3 ASN 26 2.577 22.078 -17.444 195 HD21 ASN 26 HD21 ASN 26 3.055 24.114 -18.200 196 HD22 ASN 26 HD22 ASN 26 4.675 24.673 -18.419 197 H TYR 27 H TYR 27 0.630 22.173 -16.311 198 HA TYR 27 HA TYR 27 -0.441 24.651 -15.276 199 HB2 TYR 27 HB2 TYR 27 0.563 25.510 -17.284 200 HB3 TYR 27 HB3 TYR 27 -0.106 24.196 -18.244 201 HD1 TYR 27 HD1 TYR 27 -1.438 26.757 -15.858 202 HD2 TYR 27 HD2 TYR 27 -1.833 24.819 -19.626 203 HE1 TYR 27 HE1 TYR 27 -3.415 28.134 -16.353 204 HE2 TYR 27 HE2 TYR 27 -3.811 26.192 -20.131 205 HH TYR 27 HH TYR 27 -5.630 27.551 -18.266 206 H GLY 28 H GLY 28 -2.463 24.284 -14.653 207 HA2 GLY 28 HA2 GLY 28 -4.031 22.254 -16.114 208 HA3 GLY 28 HA3 GLY 28 -3.981 22.273 -14.357 209 H ASN 29 H ASN 29 -4.859 24.162 -13.260 210 HA ASN 29 HA ASN 29 -6.521 25.973 -14.768 211 HB2 ASN 29 HB2 ASN 29 -8.632 25.266 -14.048 212 HB3 ASN 29 HB3 ASN 29 -7.818 23.755 -14.447 213 HD21 ASN 29 HD21 ASN 29 -6.769 22.623 -12.632 214 HD22 ASN 29 HD22 ASN 29 -7.543 22.670 -11.088 215 H GLY 30 H GLY 30 -8.028 27.160 -12.995 216 HA2 GLY 30 HA2 GLY 30 -6.247 28.585 -11.349 217 HA3 GLY 30 HA3 GLY 30 -8.001 28.667 -11.264 218 H ARG 31 H ARG 31 -9.120 27.153 -9.915 219 HA ARG 31 HA ARG 31 -7.645 26.569 -7.506 220 HB2 ARG 31 HB2 ARG 31 -9.941 27.491 -7.440 221 HB3 ARG 31 HB3 ARG 31 -10.539 26.015 -8.185 222 HG2 ARG 31 HG2 ARG 31 -10.962 25.492 -6.029 223 HG3 ARG 31 HG3 ARG 31 -9.289 24.934 -6.098 224 HD2 ARG 31 HD2 ARG 31 -9.677 26.278 -4.104 225 HD3 ARG 31 HD3 ARG 31 -8.537 27.074 -5.188 226 HE ARG 31 HE ARG 31 -11.275 27.901 -5.532 227 HH11 ARG 31 HH11 ARG 31 -8.289 28.449 -3.829 228 HH12 ARG 31 HH12 ARG 31 -8.659 30.098 -3.445 229 HH21 ARG 31 HH21 ARG 31 -11.775 30.070 -5.033 230 HH22 ARG 31 HH22 ARG 31 -10.643 31.018 -4.129 231 H GLY 32 H GLY 32 -6.590 24.734 -7.165 232 HA2 GLY 32 HA2 GLY 32 -7.227 22.231 -6.993 233 HA3 GLY 32 HA3 GLY 32 -7.335 22.365 -8.742 234 H ILE 33 H ILE 33 -4.998 23.603 -6.353 235 HA ILE 33 HA ILE 33 -2.808 22.837 -8.080 236 HB ILE 33 HB ILE 33 -2.601 23.972 -5.295 237 HG12 ILE 33 HG12 ILE 33 -4.046 25.418 -6.662 238 HG13 ILE 33 HG13 ILE 33 -2.500 26.191 -6.332 239 HG21 ILE 33 HG21 ILE 33 -0.687 23.056 -7.108 240 HG22 ILE 33 HG22 ILE 33 -0.616 24.816 -7.204 241 HG23 ILE 33 HG23 ILE 33 -0.408 24.008 -5.650 242 HD11 ILE 33 HD11 ILE 33 -2.113 26.438 -8.492 243 HD12 ILE 33 HD12 ILE 33 -2.357 24.716 -8.783 244 HD13 ILE 33 HD13 ILE 33 -3.734 25.818 -8.808 245 H LEU 34 H LEU 34 -3.565 20.504 -7.833 246 HA LEU 34 HA LEU 34 -2.628 19.258 -5.360 247 HB2 LEU 34 HB2 LEU 34 -3.801 17.769 -7.673 248 HB3 LEU 34 HB3 LEU 34 -3.828 17.361 -5.958 249 HG LEU 34 HG LEU 34 -5.472 19.476 -7.345 250 HD11 LEU 34 HD11 LEU 34 -5.889 16.685 -6.687 251 HD12 LEU 34 HD12 LEU 34 -7.109 17.730 -5.959 252 HD13 LEU 34 HD13 LEU 34 -6.846 17.764 -7.703 253 HD21 LEU 34 HD21 LEU 34 -5.320 18.744 -4.422 254 HD22 LEU 34 HD22 LEU 34 -4.815 20.269 -5.150 255 HD23 LEU 34 HD23 LEU 34 -6.519 19.816 -5.146 256 H TRP 35 H TRP 35 -0.810 18.080 -5.217 257 HA TRP 35 HA TRP 35 0.977 18.069 -7.506 258 HB2 TRP 35 HB2 TRP 35 1.337 17.362 -4.596 259 HB3 TRP 35 HB3 TRP 35 2.597 17.089 -5.797 260 HD1 TRP 35 HD1 TRP 35 0.360 20.232 -5.587 261 HE1 TRP 35 HE1 TRP 35 1.883 22.274 -5.220 262 HE3 TRP 35 HE3 TRP 35 4.837 17.821 -5.059 263 HZ2 TRP 35 HZ2 TRP 35 4.620 22.795 -4.767 264 HZ3 TRP 35 HZ3 TRP 35 6.860 19.164 -4.662 265 HH2 TRP 35 HH2 TRP 35 6.752 21.599 -4.520 266 H LYS 36 H LYS 36 1.858 16.243 -8.458 267 HA LYS 36 HA LYS 36 0.660 13.663 -7.703 268 HB2 LYS 36 HB2 LYS 36 0.744 14.993 -10.379 269 HB3 LYS 36 HB3 LYS 36 0.847 13.239 -10.301 270 HG2 LYS 36 HG2 LYS 36 -1.407 13.524 -10.532 271 HG3 LYS 36 HG3 LYS 36 -1.266 13.491 -8.772 272 HD2 LYS 36 HD2 LYS 36 -2.665 15.324 -9.253 273 HD3 LYS 36 HD3 LYS 36 -1.086 16.025 -8.893 274 HE2 LYS 36 HE2 LYS 36 -1.853 17.157 -10.808 275 HE3 LYS 36 HE3 LYS 36 -0.667 15.993 -11.397 276 HZ1 LYS 36 HZ1 LYS 36 -2.306 14.655 -12.297 277 HZ2 LYS 36 HZ2 LYS 36 -3.536 15.312 -11.338 278 HZ3 LYS 36 HZ3 LYS 36 -2.893 16.208 -12.622 279 H CYS 37 H CYS 37 1.900 11.791 -8.311 280 HA CYS 37 HA CYS 37 4.708 12.182 -7.940 281 HB2 CYS 37 HB2 CYS 37 3.125 9.682 -8.569 282 HB3 CYS 37 HB3 CYS 37 4.828 9.707 -8.126 283 H VAL 38 H VAL 38 5.942 12.918 -9.541 284 HA VAL 38 HA VAL 38 5.396 12.045 -12.290 285 HB VAL 38 HB VAL 38 6.991 13.874 -12.929 286 HG11 VAL 38 HG11 VAL 38 5.373 15.731 -12.267 287 HG12 VAL 38 HG12 VAL 38 4.709 14.370 -13.171 288 HG13 VAL 38 HG13 VAL 38 4.460 14.477 -11.429 289 HG21 VAL 38 HG21 VAL 38 7.555 15.566 -11.274 290 HG22 VAL 38 HG22 VAL 38 6.748 14.627 -10.017 291 HG23 VAL 38 HG23 VAL 38 8.199 13.995 -10.795 292 H ARG 39 H ARG 39 7.165 11.413 -13.660 293 HA ARG 39 HA ARG 39 8.972 9.628 -12.345 294 HB2 ARG 39 HB2 ARG 39 9.820 9.232 -14.686 295 HB3 ARG 39 HB3 ARG 39 8.104 8.929 -14.449 296 HG2 ARG 39 HG2 ARG 39 7.506 10.510 -15.907 297 HG3 ARG 39 HG3 ARG 39 8.702 11.656 -15.296 298 HD2 ARG 39 HD2 ARG 39 9.150 11.063 -17.622 299 HD3 ARG 39 HD3 ARG 39 10.450 10.520 -16.561 300 HE ARG 39 HE ARG 39 8.493 8.488 -17.002 301 HH11 ARG 39 HH11 ARG 39 11.280 10.055 -18.380 302 HH12 ARG 39 HH12 ARG 39 11.734 8.689 -19.344 303 HH21 ARG 39 HH21 ARG 39 9.081 6.683 -18.267 304 HH22 ARG 39 HH22 ARG 39 10.482 6.772 -19.280 305 H ALA 40 H ALA 40 10.434 10.744 -11.110 306 HA ALA 40 HA ALA 40 11.798 13.076 -11.897 307 HB1 ALA 40 HB1 ALA 40 11.981 12.848 -9.653 308 HB2 ALA 40 HB2 ALA 40 12.064 11.088 -9.727 309 HB3 ALA 40 HB3 ALA 40 13.493 12.054 -10.092 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.424 0.338 0.174 2 HA2 GLY 1 HA2 GLY 1 3.869 -0.899 -0.790 3 HA3 GLY 1 HA3 GLY 1 2.560 -0.817 -1.959 4 H CYS 2 H CYS 2 3.445 0.627 -3.366 5 HA CYS 2 HA CYS 2 3.982 3.321 -2.295 6 HB2 CYS 2 HB2 CYS 2 5.562 3.623 -4.190 7 HB3 CYS 2 HB3 CYS 2 6.058 2.351 -3.078 8 H LYS 3 H LYS 3 3.594 5.085 -3.849 9 HA LYS 3 HA LYS 3 1.077 4.651 -5.224 10 HB2 LYS 3 HB2 LYS 3 2.634 7.227 -4.996 11 HB3 LYS 3 HB3 LYS 3 0.926 7.039 -5.371 12 HG2 LYS 3 HG2 LYS 3 1.780 5.893 -2.803 13 HG3 LYS 3 HG3 LYS 3 1.890 7.650 -2.928 14 HD2 LYS 3 HD2 LYS 3 -0.273 7.529 -2.264 15 HD3 LYS 3 HD3 LYS 3 -0.545 7.284 -3.991 16 HE2 LYS 3 HE2 LYS 3 -1.776 5.586 -2.939 17 HE3 LYS 3 HE3 LYS 3 -0.306 4.794 -3.506 18 HZ1 LYS 3 HZ1 LYS 3 -0.413 4.022 -1.378 19 HZ2 LYS 3 HZ2 LYS 3 0.514 5.413 -1.117 20 HZ3 LYS 3 HZ3 LYS 3 -1.142 5.421 -0.768 21 H ASN 4 H ASN 4 0.721 4.825 -7.398 22 HA ASN 4 HA ASN 4 2.994 4.415 -9.111 23 HB2 ASN 4 HB2 ASN 4 0.514 3.452 -9.231 24 HB3 ASN 4 HB3 ASN 4 0.272 4.878 -10.236 25 HD21 ASN 4 HD21 ASN 4 0.031 3.886 -12.165 26 HD22 ASN 4 HD22 ASN 4 1.271 2.967 -12.943 27 H LEU 5 H LEU 5 2.472 5.627 -11.441 28 HA LEU 5 HA LEU 5 3.389 8.269 -11.021 29 HB2 LEU 5 HB2 LEU 5 3.935 6.915 -13.003 30 HB3 LEU 5 HB3 LEU 5 2.256 7.029 -13.525 31 HG LEU 5 HG LEU 5 2.556 9.501 -13.705 32 HD11 LEU 5 HD11 LEU 5 5.434 9.417 -13.901 33 HD12 LEU 5 HD12 LEU 5 4.396 10.531 -13.011 34 HD13 LEU 5 HD13 LEU 5 4.889 9.006 -12.275 35 HD21 LEU 5 HD21 LEU 5 4.483 7.889 -15.372 36 HD22 LEU 5 HD22 LEU 5 2.741 7.958 -15.637 37 HD23 LEU 5 HD23 LEU 5 3.718 9.416 -15.809 38 H ASN 6 H ASN 6 2.375 10.257 -11.594 39 HA ASN 6 HA ASN 6 0.693 11.782 -11.442 40 HB2 ASN 6 HB2 ASN 6 -1.061 9.693 -12.733 41 HB3 ASN 6 HB3 ASN 6 -1.202 11.444 -12.849 42 HD21 ASN 6 HD21 ASN 6 -0.760 9.146 -14.801 43 HD22 ASN 6 HD22 ASN 6 0.550 9.695 -15.785 44 H SER 7 H SER 7 1.015 9.687 -9.321 45 HA SER 7 HA SER 7 -1.627 9.196 -8.301 46 HB2 SER 7 HB2 SER 7 1.160 8.683 -7.319 47 HB3 SER 7 HB3 SER 7 -0.196 8.553 -6.199 48 HG SER 7 HG SER 7 -1.112 7.004 -7.573 49 H HIS 8 H HIS 8 -2.818 10.502 -7.084 50 HA HIS 8 HA HIS 8 -2.142 13.139 -6.518 51 HB2 HIS 8 HB2 HIS 8 -4.181 11.403 -5.110 52 HB3 HIS 8 HB3 HIS 8 -4.124 13.162 -5.055 53 HD1 HIS 8 HD1 HIS 8 -5.233 14.412 -6.936 54 HD2 HIS 8 HD2 HIS 8 -4.903 10.339 -7.688 55 HE1 HIS 8 HE1 HIS 8 -6.584 14.001 -9.017 56 H CYS 9 H CYS 9 -0.515 13.782 -5.269 57 HA CYS 9 HA CYS 9 -0.382 12.794 -2.525 58 HB2 CYS 9 HB2 CYS 9 1.951 12.304 -2.590 59 HB3 CYS 9 HB3 CYS 9 1.221 11.459 -3.951 60 H TYR 10 H TYR 10 0.280 14.304 -1.058 61 HA TYR 10 HA TYR 10 0.443 17.036 -2.025 62 HB2 TYR 10 HB2 TYR 10 0.575 16.177 0.858 63 HB3 TYR 10 HB3 TYR 10 0.020 17.712 0.198 64 HD1 TYR 10 HD1 TYR 10 -1.775 16.664 -1.971 65 HD2 TYR 10 HD2 TYR 10 -1.305 15.490 2.091 66 HE1 TYR 10 HE1 TYR 10 -4.092 15.839 -1.948 67 HE2 TYR 10 HE2 TYR 10 -3.621 14.660 2.126 68 HH TYR 10 HH TYR 10 -5.652 14.827 0.993 69 H ARG 11 H ARG 11 2.103 18.509 -1.380 70 HA ARG 11 HA ARG 11 4.715 17.453 -1.661 71 HB2 ARG 11 HB2 ARG 11 5.453 19.656 -1.707 72 HB3 ARG 11 HB3 ARG 11 3.794 19.802 -2.272 73 HG2 ARG 11 HG2 ARG 11 4.736 20.324 0.540 74 HG3 ARG 11 HG3 ARG 11 4.375 21.554 -0.674 75 HD2 ARG 11 HD2 ARG 11 2.427 19.550 0.463 76 HD3 ARG 11 HD3 ARG 11 2.511 21.262 0.876 77 HE ARG 11 HE ARG 11 2.150 20.802 -1.929 78 HH11 ARG 11 HH11 ARG 11 0.525 21.057 1.139 79 HH12 ARG 11 HH12 ARG 11 -0.994 21.516 0.444 80 HH21 ARG 11 HH21 ARG 11 0.155 21.405 -2.857 81 HH22 ARG 11 HH22 ARG 11 -1.204 21.713 -1.829 82 H GLN 12 H GLN 12 2.706 17.533 0.985 83 HA GLN 12 HA GLN 12 4.617 18.116 3.032 84 HB2 GLN 12 HB2 GLN 12 1.840 16.980 3.000 85 HB3 GLN 12 HB3 GLN 12 2.797 16.942 4.475 86 HG2 GLN 12 HG2 GLN 12 2.574 19.528 3.044 87 HG3 GLN 12 HG3 GLN 12 1.154 18.933 3.903 88 HE21 GLN 12 HE21 GLN 12 1.002 19.412 5.975 89 HE22 GLN 12 HE22 GLN 12 2.297 19.928 6.995 90 H HIS 13 H HIS 13 2.925 15.080 2.214 91 HA HIS 13 HA HIS 13 5.059 13.568 3.504 92 HB2 HIS 13 HB2 HIS 13 2.682 12.305 2.185 93 HB3 HIS 13 HB3 HIS 13 3.592 11.763 3.592 94 HD1 HIS 13 HD1 HIS 13 2.738 12.458 5.851 95 HD2 HIS 13 HD2 HIS 13 0.866 14.477 2.740 96 HE1 HIS 13 HE1 HIS 13 0.842 13.723 6.915 97 H ARG 14 H ARG 14 5.035 11.218 2.100 98 HA ARG 14 HA ARG 14 5.312 11.487 -0.692 99 HB2 ARG 14 HB2 ARG 14 7.381 12.729 0.532 100 HB3 ARG 14 HB3 ARG 14 8.025 11.097 0.420 101 HG2 ARG 14 HG2 ARG 14 8.565 11.448 -1.694 102 HG3 ARG 14 HG3 ARG 14 6.872 11.756 -2.086 103 HD2 ARG 14 HD2 ARG 14 7.117 14.022 -1.983 104 HD3 ARG 14 HD3 ARG 14 8.404 13.936 -0.781 105 HE ARG 14 HE ARG 14 9.428 12.871 -3.124 106 HH11 ARG 14 HH11 ARG 14 8.168 15.921 -2.015 107 HH12 ARG 14 HH12 ARG 14 9.139 16.864 -3.097 108 HH21 ARG 14 HH21 ARG 14 10.712 14.100 -4.553 109 HH22 ARG 14 HH22 ARG 14 10.585 15.827 -4.541 110 H GLU 15 H GLU 15 4.992 9.508 -1.455 111 HA GLU 15 HA GLU 15 6.332 7.221 -0.302 112 HB2 GLU 15 HB2 GLU 15 4.274 5.948 0.104 113 HB3 GLU 15 HB3 GLU 15 4.357 7.376 1.125 114 HG2 GLU 15 HG2 GLU 15 3.001 8.007 -1.316 115 HG3 GLU 15 HG3 GLU 15 2.271 6.587 -0.567 116 H CYS 16 H CYS 16 6.229 8.658 -2.859 117 HA CYS 16 HA CYS 16 4.773 7.093 -4.743 118 HB2 CYS 16 HB2 CYS 16 7.151 8.905 -5.211 119 HB3 CYS 16 HB3 CYS 16 6.033 8.320 -6.438 120 H CYS 17 H CYS 17 5.527 5.547 -6.203 121 HA CYS 17 HA CYS 17 7.255 3.609 -5.231 122 HB2 CYS 17 HB2 CYS 17 6.335 4.202 -8.044 123 HB3 CYS 17 HB3 CYS 17 7.302 2.788 -7.637 124 H HIS 18 H HIS 18 9.260 2.815 -6.399 125 HA HIS 18 HA HIS 18 11.285 4.766 -6.189 126 HB2 HIS 18 HB2 HIS 18 11.865 2.496 -5.747 127 HB3 HIS 18 HB3 HIS 18 11.277 1.968 -7.321 128 HD1 HIS 18 HD1 HIS 18 13.134 1.438 -8.845 129 HD2 HIS 18 HD2 HIS 18 14.121 4.528 -6.249 130 HE1 HIS 18 HE1 HIS 18 15.493 2.081 -9.431 131 H GLY 19 H GLY 19 11.667 6.364 -7.570 132 HA2 GLY 19 HA2 GLY 19 12.606 6.827 -9.812 133 HA3 GLY 19 HA3 GLY 19 11.321 5.814 -10.454 134 H LEU 20 H LEU 20 9.452 7.032 -8.406 135 HA LEU 20 HA LEU 20 8.843 9.435 -9.976 136 HB2 LEU 20 HB2 LEU 20 7.067 7.893 -8.092 137 HB3 LEU 20 HB3 LEU 20 6.578 9.221 -9.142 138 HG LEU 20 HG LEU 20 7.450 6.465 -10.001 139 HD11 LEU 20 HD11 LEU 20 4.840 7.836 -9.669 140 HD12 LEU 20 HD12 LEU 20 5.035 6.754 -11.047 141 HD13 LEU 20 HD13 LEU 20 5.277 6.148 -9.409 142 HD21 LEU 20 HD21 LEU 20 8.136 7.505 -11.863 143 HD22 LEU 20 HD22 LEU 20 6.416 7.692 -12.206 144 HD23 LEU 20 HD23 LEU 20 7.312 9.007 -11.445 145 H VAL 21 H VAL 21 7.931 11.299 -8.824 146 HA VAL 21 HA VAL 21 8.653 11.523 -6.005 147 HB VAL 21 HB VAL 21 9.906 13.581 -6.311 148 HG11 VAL 21 HG11 VAL 21 11.169 11.513 -6.281 149 HG12 VAL 21 HG12 VAL 21 10.952 11.327 -8.021 150 HG13 VAL 21 HG13 VAL 21 11.919 12.660 -7.390 151 HG21 VAL 21 HG21 VAL 21 9.550 13.101 -9.269 152 HG22 VAL 21 HG22 VAL 21 8.811 14.397 -8.328 153 HG23 VAL 21 HG23 VAL 21 10.560 14.353 -8.545 154 H CYS 22 H CYS 22 7.549 13.144 -4.893 155 HA CYS 22 HA CYS 22 5.027 13.881 -6.016 156 HB2 CYS 22 HB2 CYS 22 5.775 13.402 -3.509 157 HB3 CYS 22 HB3 CYS 22 6.021 15.145 -3.504 158 H ARG 23 H ARG 23 4.963 15.403 -7.548 159 HA ARG 23 HA ARG 23 6.000 18.049 -6.897 160 HB2 ARG 23 HB2 ARG 23 7.639 16.612 -8.357 161 HB3 ARG 23 HB3 ARG 23 6.519 17.005 -9.654 162 HG2 ARG 23 HG2 ARG 23 6.903 19.351 -9.359 163 HG3 ARG 23 HG3 ARG 23 7.877 19.052 -7.917 164 HD2 ARG 23 HD2 ARG 23 9.468 19.395 -9.579 165 HD3 ARG 23 HD3 ARG 23 9.359 17.638 -9.475 166 HE ARG 23 HE ARG 23 7.555 18.458 -11.420 167 HH11 ARG 23 HH11 ARG 23 10.994 18.509 -10.882 168 HH12 ARG 23 HH12 ARG 23 11.390 18.440 -12.568 169 HH21 ARG 23 HH21 ARG 23 8.063 18.368 -13.641 170 HH22 ARG 23 HH22 ARG 23 9.722 18.361 -14.136 171 H ARG 24 H ARG 24 5.110 19.741 -8.282 172 HA ARG 24 HA ARG 24 2.337 19.225 -8.866 173 HB2 ARG 24 HB2 ARG 24 2.275 21.660 -9.407 174 HB3 ARG 24 HB3 ARG 24 2.883 21.306 -7.795 175 HG2 ARG 24 HG2 ARG 24 5.156 21.663 -8.535 176 HG3 ARG 24 HG3 ARG 24 4.602 21.913 -10.191 177 HD2 ARG 24 HD2 ARG 24 3.086 23.703 -8.766 178 HD3 ARG 24 HD3 ARG 24 4.632 23.748 -7.922 179 HE ARG 24 HE ARG 24 5.530 24.834 -9.718 180 HH11 ARG 24 HH11 ARG 24 2.568 23.291 -10.702 181 HH12 ARG 24 HH12 ARG 24 2.566 24.007 -12.280 182 HH21 ARG 24 HH21 ARG 24 5.539 25.783 -11.793 183 HH22 ARG 24 HH22 ARG 24 4.257 25.423 -12.899 184 HA PRO 25 HA PRO 25 2.570 18.580 -13.201 185 HB2 PRO 25 HB2 PRO 25 0.265 19.749 -14.032 186 HB3 PRO 25 HB3 PRO 25 0.302 18.219 -13.148 187 HG2 PRO 25 HG2 PRO 25 -0.246 20.981 -12.132 188 HG3 PRO 25 HG3 PRO 25 -1.078 19.463 -11.749 189 HD2 PRO 25 HD2 PRO 25 0.766 20.568 -10.104 190 HD3 PRO 25 HD3 PRO 25 0.536 18.813 -10.238 191 H ASN 26 H ASN 26 1.856 19.989 -15.322 192 HA ASN 26 HA ASN 26 3.781 22.105 -15.408 193 HB2 ASN 26 HB2 ASN 26 3.135 20.461 -17.291 194 HB3 ASN 26 HB3 ASN 26 1.765 21.533 -17.569 195 HD21 ASN 26 HD21 ASN 26 5.243 21.880 -16.932 196 HD22 ASN 26 HD22 ASN 26 5.533 23.009 -18.207 197 H TYR 27 H TYR 27 0.304 22.087 -16.217 198 HA TYR 27 HA TYR 27 -0.169 24.491 -14.721 199 HB2 TYR 27 HB2 TYR 27 0.822 25.518 -16.674 200 HB3 TYR 27 HB3 TYR 27 -0.220 24.585 -17.743 201 HD1 TYR 27 HD1 TYR 27 -0.522 26.973 -14.879 202 HD2 TYR 27 HD2 TYR 27 -2.072 25.647 -18.613 203 HE1 TYR 27 HE1 TYR 27 -2.187 28.783 -14.824 204 HE2 TYR 27 HE2 TYR 27 -3.740 27.454 -18.569 205 HH TYR 27 HH TYR 27 -4.394 29.284 -15.793 206 H GLY 28 H GLY 28 -2.370 24.943 -14.452 207 HA2 GLY 28 HA2 GLY 28 -4.303 23.261 -15.856 208 HA3 GLY 28 HA3 GLY 28 -4.186 23.054 -14.115 209 H ASN 29 H ASN 29 -6.280 24.165 -16.063 210 HA ASN 29 HA ASN 29 -6.575 26.914 -15.272 211 HB2 ASN 29 HB2 ASN 29 -8.605 25.109 -16.604 212 HB3 ASN 29 HB3 ASN 29 -8.633 26.869 -16.551 213 HD21 ASN 29 HD21 ASN 29 -6.088 27.542 -17.152 214 HD22 ASN 29 HD22 ASN 29 -5.688 27.015 -18.748 215 H GLY 30 H GLY 30 -7.587 27.687 -13.532 216 HA2 GLY 30 HA2 GLY 30 -9.504 27.666 -12.049 217 HA3 GLY 30 HA3 GLY 30 -9.457 25.910 -12.100 218 H ARG 31 H ARG 31 -9.476 27.615 -9.765 219 HA ARG 31 HA ARG 31 -6.837 27.681 -8.659 220 HB2 ARG 31 HB2 ARG 31 -8.922 29.117 -8.048 221 HB3 ARG 31 HB3 ARG 31 -9.341 27.763 -7.007 222 HG2 ARG 31 HG2 ARG 31 -8.189 29.066 -5.536 223 HG3 ARG 31 HG3 ARG 31 -6.873 28.070 -6.161 224 HD2 ARG 31 HD2 ARG 31 -7.559 30.672 -7.470 225 HD3 ARG 31 HD3 ARG 31 -6.571 30.643 -6.010 226 HE ARG 31 HE ARG 31 -5.753 29.928 -8.645 227 HH11 ARG 31 HH11 ARG 31 -5.252 29.231 -5.271 228 HH12 ARG 31 HH12 ARG 31 -3.630 28.663 -5.495 229 HH21 ARG 31 HH21 ARG 31 -3.619 29.183 -8.953 230 HH22 ARG 31 HH22 ARG 31 -2.702 28.637 -7.590 231 H GLY 32 H GLY 32 -5.755 26.100 -7.677 232 HA2 GLY 32 HA2 GLY 32 -6.215 24.325 -5.846 233 HA3 GLY 32 HA3 GLY 32 -7.189 23.596 -7.113 234 H ILE 33 H ILE 33 -3.924 24.459 -6.145 235 HA ILE 33 HA ILE 33 -2.739 23.051 -8.381 236 HB ILE 33 HB ILE 33 -1.315 24.121 -5.948 237 HG12 ILE 33 HG12 ILE 33 -1.965 25.542 -8.540 238 HG13 ILE 33 HG13 ILE 33 -2.648 25.914 -6.961 239 HG21 ILE 33 HG21 ILE 33 0.562 23.487 -6.958 240 HG22 ILE 33 HG22 ILE 33 -0.437 22.615 -8.121 241 HG23 ILE 33 HG23 ILE 33 0.083 24.265 -8.467 242 HD11 ILE 33 HD11 ILE 33 -0.266 26.894 -8.156 243 HD12 ILE 33 HD12 ILE 33 -0.994 27.331 -6.610 244 HD13 ILE 33 HD13 ILE 33 0.157 25.998 -6.696 245 H LEU 34 H LEU 34 -3.180 20.897 -8.234 246 HA LEU 34 HA LEU 34 -2.632 19.504 -5.723 247 HB2 LEU 34 HB2 LEU 34 -3.609 18.180 -8.220 248 HB3 LEU 34 HB3 LEU 34 -3.874 17.720 -6.539 249 HG LEU 34 HG LEU 34 -5.211 19.945 -8.068 250 HD11 LEU 34 HD11 LEU 34 -7.239 18.612 -7.228 251 HD12 LEU 34 HD12 LEU 34 -6.304 17.953 -8.570 252 HD13 LEU 34 HD13 LEU 34 -6.085 17.309 -6.943 253 HD21 LEU 34 HD21 LEU 34 -6.507 20.172 -5.866 254 HD22 LEU 34 HD22 LEU 34 -5.125 19.363 -5.127 255 HD23 LEU 34 HD23 LEU 34 -4.903 20.901 -5.961 256 H TRP 35 H TRP 35 -0.919 18.211 -5.411 257 HA TRP 35 HA TRP 35 1.059 18.053 -7.557 258 HB2 TRP 35 HB2 TRP 35 1.210 17.589 -4.580 259 HB3 TRP 35 HB3 TRP 35 2.532 17.172 -5.667 260 HD1 TRP 35 HD1 TRP 35 0.400 20.392 -5.855 261 HE1 TRP 35 HE1 TRP 35 1.974 22.409 -5.573 262 HE3 TRP 35 HE3 TRP 35 4.753 17.895 -4.877 263 HZ2 TRP 35 HZ2 TRP 35 4.700 22.879 -5.010 264 HZ3 TRP 35 HZ3 TRP 35 6.799 19.202 -4.478 265 HH2 TRP 35 HH2 TRP 35 6.771 21.643 -4.544 266 H LYS 36 H LYS 36 1.911 16.135 -8.318 267 HA LYS 36 HA LYS 36 0.707 13.639 -7.354 268 HB2 LYS 36 HB2 LYS 36 0.879 14.484 -10.253 269 HB3 LYS 36 HB3 LYS 36 0.402 12.885 -9.697 270 HG2 LYS 36 HG2 LYS 36 -1.556 13.789 -8.626 271 HG3 LYS 36 HG3 LYS 36 -1.053 15.434 -9.024 272 HD2 LYS 36 HD2 LYS 36 -1.107 14.668 -11.463 273 HD3 LYS 36 HD3 LYS 36 -1.993 13.259 -10.875 274 HE2 LYS 36 HE2 LYS 36 -3.733 14.671 -9.985 275 HE3 LYS 36 HE3 LYS 36 -2.817 16.120 -10.395 276 HZ1 LYS 36 HZ1 LYS 36 -3.180 15.797 -12.659 277 HZ2 LYS 36 HZ2 LYS 36 -3.639 14.180 -12.466 278 HZ3 LYS 36 HZ3 LYS 36 -4.674 15.419 -11.960 279 H CYS 37 H CYS 37 1.867 11.698 -8.206 280 HA CYS 37 HA CYS 37 4.686 12.045 -7.841 281 HB2 CYS 37 HB2 CYS 37 3.061 9.598 -8.569 282 HB3 CYS 37 HB3 CYS 37 4.775 9.579 -8.168 283 H VAL 38 H VAL 38 5.883 12.878 -9.425 284 HA VAL 38 HA VAL 38 5.313 12.108 -12.203 285 HB VAL 38 HB VAL 38 6.861 14.004 -12.784 286 HG11 VAL 38 HG11 VAL 38 5.193 15.779 -12.149 287 HG12 VAL 38 HG12 VAL 38 4.523 14.371 -12.974 288 HG13 VAL 38 HG13 VAL 38 4.340 14.540 -11.228 289 HG21 VAL 38 HG21 VAL 38 8.058 14.088 -10.640 290 HG22 VAL 38 HG22 VAL 38 7.369 15.654 -11.071 291 HG23 VAL 38 HG23 VAL 38 6.586 14.652 -9.849 292 H ARG 39 H ARG 39 7.082 11.581 -13.617 293 HA ARG 39 HA ARG 39 8.942 9.783 -12.410 294 HB2 ARG 39 HB2 ARG 39 9.794 9.527 -14.758 295 HB3 ARG 39 HB3 ARG 39 8.076 9.208 -14.561 296 HG2 ARG 39 HG2 ARG 39 8.207 11.911 -15.169 297 HG3 ARG 39 HG3 ARG 39 9.414 11.159 -16.213 298 HD2 ARG 39 HD2 ARG 39 6.521 10.342 -15.962 299 HD3 ARG 39 HD3 ARG 39 7.231 11.242 -17.302 300 HE ARG 39 HE ARG 39 8.559 8.758 -16.873 301 HH11 ARG 39 HH11 ARG 39 5.718 10.204 -18.273 302 HH12 ARG 39 HH12 ARG 39 5.494 8.945 -19.442 303 HH21 ARG 39 HH21 ARG 39 8.274 7.094 -18.407 304 HH22 ARG 39 HH22 ARG 39 6.948 7.176 -19.517 305 H ALA 40 H ALA 40 10.377 10.855 -11.107 306 HA ALA 40 HA ALA 40 11.683 13.264 -11.745 307 HB1 ALA 40 HB1 ALA 40 13.405 12.184 -10.008 308 HB2 ALA 40 HB2 ALA 40 11.865 12.890 -9.518 309 HB3 ALA 40 HB3 ALA 40 12.013 11.143 -9.710 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.716 -0.437 -1.090 2 HA2 GLY 1 HA2 GLY 1 3.624 -0.468 -0.597 3 HA3 GLY 1 HA3 GLY 1 2.860 -0.908 -2.117 4 H CYS 2 H CYS 2 4.779 0.735 -2.542 5 HA CYS 2 HA CYS 2 4.530 3.450 -2.108 6 HB2 CYS 2 HB2 CYS 2 5.880 3.746 -4.162 7 HB3 CYS 2 HB3 CYS 2 6.521 2.484 -3.115 8 H LYS 3 H LYS 3 4.027 5.125 -3.820 9 HA LYS 3 HA LYS 3 1.350 4.582 -4.855 10 HB2 LYS 3 HB2 LYS 3 2.795 7.231 -4.764 11 HB3 LYS 3 HB3 LYS 3 1.072 6.962 -4.991 12 HG2 LYS 3 HG2 LYS 3 1.872 5.742 -2.545 13 HG3 LYS 3 HG3 LYS 3 2.474 7.401 -2.585 14 HD2 LYS 3 HD2 LYS 3 0.050 7.935 -3.427 15 HD3 LYS 3 HD3 LYS 3 -0.336 6.394 -2.657 16 HE2 LYS 3 HE2 LYS 3 0.670 7.229 -0.563 17 HE3 LYS 3 HE3 LYS 3 0.961 8.782 -1.346 18 HZ1 LYS 3 HZ1 LYS 3 -1.749 7.984 -1.640 19 HZ2 LYS 3 HZ2 LYS 3 -1.314 8.009 -0.006 20 HZ3 LYS 3 HZ3 LYS 3 -1.119 9.396 -0.954 21 H ASN 4 H ASN 4 0.774 4.789 -6.990 22 HA ASN 4 HA ASN 4 2.889 4.441 -8.909 23 HB2 ASN 4 HB2 ASN 4 0.432 3.419 -8.807 24 HB3 ASN 4 HB3 ASN 4 0.065 4.845 -9.774 25 HD21 ASN 4 HD21 ASN 4 2.776 2.556 -9.642 26 HD22 ASN 4 HD22 ASN 4 2.758 2.177 -11.327 27 H LEU 5 H LEU 5 2.138 5.653 -11.170 28 HA LEU 5 HA LEU 5 3.017 8.318 -10.809 29 HB2 LEU 5 HB2 LEU 5 3.404 6.952 -12.841 30 HB3 LEU 5 HB3 LEU 5 1.690 7.100 -13.226 31 HG LEU 5 HG LEU 5 2.045 9.593 -13.338 32 HD11 LEU 5 HD11 LEU 5 4.119 10.546 -13.244 33 HD12 LEU 5 HD12 LEU 5 4.326 9.246 -12.069 34 HD13 LEU 5 HD13 LEU 5 4.947 9.060 -13.709 35 HD21 LEU 5 HD21 LEU 5 3.841 8.454 -15.380 36 HD22 LEU 5 HD22 LEU 5 2.253 7.701 -15.243 37 HD23 LEU 5 HD23 LEU 5 2.384 9.430 -15.563 38 H ASN 6 H ASN 6 1.906 10.279 -11.270 39 HA ASN 6 HA ASN 6 0.201 11.758 -10.981 40 HB2 ASN 6 HB2 ASN 6 -1.706 9.686 -12.030 41 HB3 ASN 6 HB3 ASN 6 -1.715 11.429 -12.286 42 HD21 ASN 6 HD21 ASN 6 -1.300 8.658 -13.834 43 HD22 ASN 6 HD22 ASN 6 -0.159 9.124 -15.044 44 H SER 7 H SER 7 0.773 9.664 -8.901 45 HA SER 7 HA SER 7 -1.753 9.130 -7.635 46 HB2 SER 7 HB2 SER 7 1.122 8.654 -6.919 47 HB3 SER 7 HB3 SER 7 -0.129 8.484 -5.687 48 HG SER 7 HG SER 7 -1.143 7.140 -7.537 49 H HIS 8 H HIS 8 -2.828 10.400 -6.276 50 HA HIS 8 HA HIS 8 -2.182 13.049 -5.783 51 HB2 HIS 8 HB2 HIS 8 -3.915 11.278 -4.047 52 HB3 HIS 8 HB3 HIS 8 -3.966 13.037 -4.124 53 HD1 HIS 8 HD1 HIS 8 -4.903 9.973 -6.081 54 HD2 HIS 8 HD2 HIS 8 -5.406 14.094 -6.250 55 HE1 HIS 8 HE1 HIS 8 -6.621 10.368 -7.875 56 H CYS 9 H CYS 9 -0.352 13.686 -4.830 57 HA CYS 9 HA CYS 9 0.145 12.817 -2.090 58 HB2 CYS 9 HB2 CYS 9 1.589 11.310 -3.201 59 HB3 CYS 9 HB3 CYS 9 2.104 12.530 -4.361 60 H TYR 10 H TYR 10 0.395 14.564 -0.879 61 HA TYR 10 HA TYR 10 0.819 17.145 -2.061 62 HB2 TYR 10 HB2 TYR 10 0.912 16.624 0.894 63 HB3 TYR 10 HB3 TYR 10 0.309 18.039 0.037 64 HD1 TYR 10 HD1 TYR 10 -0.927 15.990 2.200 65 HD2 TYR 10 HD2 TYR 10 -1.467 16.709 -1.959 66 HE1 TYR 10 HE1 TYR 10 -3.215 15.099 2.349 67 HE2 TYR 10 HE2 TYR 10 -3.756 15.820 -1.821 68 HH TYR 10 HH TYR 10 -4.876 14.004 0.675 69 H ARG 11 H ARG 11 2.475 18.660 -1.230 70 HA ARG 11 HA ARG 11 5.071 17.574 -1.558 71 HB2 ARG 11 HB2 ARG 11 4.512 19.862 -2.237 72 HB3 ARG 11 HB3 ARG 11 4.224 20.299 -0.558 73 HG2 ARG 11 HG2 ARG 11 6.415 21.051 -1.437 74 HG3 ARG 11 HG3 ARG 11 6.535 20.010 -0.016 75 HD2 ARG 11 HD2 ARG 11 7.669 18.444 -1.136 76 HD3 ARG 11 HD3 ARG 11 6.566 18.515 -2.510 77 HE ARG 11 HE ARG 11 8.124 20.794 -2.641 78 HH11 ARG 11 HH11 ARG 11 8.614 17.348 -2.730 79 HH12 ARG 11 HH12 ARG 11 10.020 17.443 -3.738 80 HH21 ARG 11 HH21 ARG 11 9.974 20.932 -3.968 81 HH22 ARG 11 HH22 ARG 11 10.793 19.482 -4.441 82 H GLN 12 H GLN 12 3.047 17.607 1.095 83 HA GLN 12 HA GLN 12 4.983 18.019 3.161 84 HB2 GLN 12 HB2 GLN 12 2.275 16.682 3.310 85 HB3 GLN 12 HB3 GLN 12 3.230 17.240 4.678 86 HG2 GLN 12 HG2 GLN 12 1.756 18.965 4.451 87 HG3 GLN 12 HG3 GLN 12 3.091 19.544 3.457 88 HE21 GLN 12 HE21 GLN 12 -0.144 18.301 3.478 89 HE22 GLN 12 HE22 GLN 12 -0.511 18.652 1.827 90 H HIS 13 H HIS 13 3.170 15.099 2.194 91 HA HIS 13 HA HIS 13 5.238 13.442 3.416 92 HB2 HIS 13 HB2 HIS 13 2.803 12.336 2.063 93 HB3 HIS 13 HB3 HIS 13 3.694 11.701 3.443 94 HD1 HIS 13 HD1 HIS 13 2.863 12.323 5.728 95 HD2 HIS 13 HD2 HIS 13 1.099 14.579 2.718 96 HE1 HIS 13 HE1 HIS 13 1.031 13.629 6.852 97 H ARG 14 H ARG 14 5.675 11.321 2.136 98 HA ARG 14 HA ARG 14 5.728 11.565 -0.725 99 HB2 ARG 14 HB2 ARG 14 8.154 12.135 0.915 100 HB3 ARG 14 HB3 ARG 14 8.355 11.241 -0.587 101 HG2 ARG 14 HG2 ARG 14 7.030 13.145 -1.673 102 HG3 ARG 14 HG3 ARG 14 7.362 14.037 -0.187 103 HD2 ARG 14 HD2 ARG 14 9.552 12.708 -1.751 104 HD3 ARG 14 HD3 ARG 14 8.980 14.326 -2.156 105 HE ARG 14 HE ARG 14 9.674 14.022 0.612 106 HH11 ARG 14 HH11 ARG 14 10.896 14.698 -2.577 107 HH12 ARG 14 HH12 ARG 14 12.276 15.575 -2.005 108 HH21 ARG 14 HH21 ARG 14 11.487 15.175 1.378 109 HH22 ARG 14 HH22 ARG 14 12.612 15.845 0.245 110 H GLU 15 H GLU 15 5.367 9.578 -1.437 111 HA GLU 15 HA GLU 15 6.870 7.334 -0.410 112 HB2 GLU 15 HB2 GLU 15 4.851 5.988 0.102 113 HB3 GLU 15 HB3 GLU 15 5.059 7.355 1.188 114 HG2 GLU 15 HG2 GLU 15 3.455 8.158 -1.032 115 HG3 GLU 15 HG3 GLU 15 2.801 6.674 -0.341 116 H CYS 16 H CYS 16 6.524 8.766 -2.940 117 HA CYS 16 HA CYS 16 4.959 7.179 -4.711 118 HB2 CYS 16 HB2 CYS 16 7.260 9.036 -5.352 119 HB3 CYS 16 HB3 CYS 16 6.064 8.432 -6.495 120 H CYS 17 H CYS 17 5.605 5.626 -6.201 121 HA CYS 17 HA CYS 17 7.450 3.731 -5.381 122 HB2 CYS 17 HB2 CYS 17 6.271 4.295 -8.101 123 HB3 CYS 17 HB3 CYS 17 7.310 2.908 -7.788 124 H HIS 18 H HIS 18 9.367 2.971 -6.699 125 HA HIS 18 HA HIS 18 11.363 4.961 -6.675 126 HB2 HIS 18 HB2 HIS 18 12.005 2.692 -6.277 127 HB3 HIS 18 HB3 HIS 18 11.321 2.163 -7.812 128 HD1 HIS 18 HD1 HIS 18 12.688 2.710 -9.965 129 HD2 HIS 18 HD2 HIS 18 14.575 3.739 -6.409 130 HE1 HIS 18 HE1 HIS 18 15.089 3.143 -10.578 131 H GLY 19 H GLY 19 11.619 6.550 -8.092 132 HA2 GLY 19 HA2 GLY 19 12.346 7.030 -10.402 133 HA3 GLY 19 HA3 GLY 19 11.039 5.982 -10.934 134 H LEU 20 H LEU 20 9.311 7.164 -8.747 135 HA LEU 20 HA LEU 20 8.520 9.545 -10.268 136 HB2 LEU 20 HB2 LEU 20 6.941 7.953 -8.254 137 HB3 LEU 20 HB3 LEU 20 6.334 9.281 -9.241 138 HG LEU 20 HG LEU 20 7.191 6.553 -10.203 139 HD11 LEU 20 HD11 LEU 20 4.585 7.877 -9.668 140 HD12 LEU 20 HD12 LEU 20 4.701 6.780 -11.044 141 HD13 LEU 20 HD13 LEU 20 5.077 6.202 -9.421 142 HD21 LEU 20 HD21 LEU 20 7.695 7.613 -12.109 143 HD22 LEU 20 HD22 LEU 20 5.951 7.795 -12.299 144 HD23 LEU 20 HD23 LEU 20 6.903 9.105 -11.601 145 H VAL 21 H VAL 21 7.649 11.387 -9.046 146 HA VAL 21 HA VAL 21 8.595 11.640 -6.297 147 HB VAL 21 HB VAL 21 9.780 13.707 -6.691 148 HG11 VAL 21 HG11 VAL 21 11.095 11.686 -6.842 149 HG12 VAL 21 HG12 VAL 21 10.685 11.509 -8.548 150 HG13 VAL 21 HG13 VAL 21 11.685 12.861 -8.018 151 HG21 VAL 21 HG21 VAL 21 8.464 14.547 -8.562 152 HG22 VAL 21 HG22 VAL 21 10.183 14.552 -8.958 153 HG23 VAL 21 HG23 VAL 21 9.132 13.295 -9.610 154 H CYS 22 H CYS 22 7.464 13.118 -5.076 155 HA CYS 22 HA CYS 22 4.880 13.854 -6.052 156 HB2 CYS 22 HB2 CYS 22 6.293 14.509 -3.459 157 HB3 CYS 22 HB3 CYS 22 4.607 14.886 -3.797 158 H ARG 23 H ARG 23 4.747 15.447 -7.512 159 HA ARG 23 HA ARG 23 5.714 18.086 -6.743 160 HB2 ARG 23 HB2 ARG 23 7.393 16.804 -8.279 161 HB3 ARG 23 HB3 ARG 23 6.236 17.172 -9.551 162 HG2 ARG 23 HG2 ARG 23 6.565 19.481 -9.337 163 HG3 ARG 23 HG3 ARG 23 7.356 19.307 -7.769 164 HD2 ARG 23 HD2 ARG 23 9.165 19.660 -9.143 165 HD3 ARG 23 HD3 ARG 23 9.086 17.898 -9.128 166 HE ARG 23 HE ARG 23 7.573 18.579 -11.270 167 HH11 ARG 23 HH11 ARG 23 10.805 19.381 -10.253 168 HH12 ARG 23 HH12 ARG 23 11.407 19.564 -11.867 169 HH21 ARG 23 HH21 ARG 23 8.355 18.818 -13.400 170 HH22 ARG 23 HH22 ARG 23 10.013 19.244 -13.656 171 H ARG 24 H ARG 24 4.810 19.805 -8.157 172 HA ARG 24 HA ARG 24 2.022 19.259 -8.662 173 HB2 ARG 24 HB2 ARG 24 1.917 21.704 -9.170 174 HB3 ARG 24 HB3 ARG 24 2.552 21.330 -7.573 175 HG2 ARG 24 HG2 ARG 24 4.807 21.734 -8.330 176 HG3 ARG 24 HG3 ARG 24 4.236 21.991 -9.979 177 HD2 ARG 24 HD2 ARG 24 2.704 23.759 -8.587 178 HD3 ARG 24 HD3 ARG 24 4.206 23.792 -7.664 179 HE ARG 24 HE ARG 24 4.763 24.011 -10.422 180 HH11 ARG 24 HH11 ARG 24 3.449 25.826 -7.758 181 HH12 ARG 24 HH12 ARG 24 3.903 27.365 -8.412 182 HH21 ARG 24 HH21 ARG 24 5.366 26.031 -11.294 183 HH22 ARG 24 HH22 ARG 24 4.992 27.480 -10.424 184 HA PRO 25 HA PRO 25 2.163 18.686 -13.011 185 HB2 PRO 25 HB2 PRO 25 -0.176 19.836 -13.771 186 HB3 PRO 25 HB3 PRO 25 -0.099 18.293 -12.912 187 HG2 PRO 25 HG2 PRO 25 -0.661 21.031 -11.840 188 HG3 PRO 25 HG3 PRO 25 -1.463 19.495 -11.463 189 HD2 PRO 25 HD2 PRO 25 0.404 20.600 -9.842 190 HD3 PRO 25 HD3 PRO 25 0.195 18.844 -9.999 191 H ASN 26 H ASN 26 1.007 21.955 -12.155 192 HA ASN 26 HA ASN 26 1.541 24.017 -12.953 193 HB2 ASN 26 HB2 ASN 26 3.876 23.160 -12.454 194 HB3 ASN 26 HB3 ASN 26 4.001 22.750 -14.162 195 HD21 ASN 26 HD21 ASN 26 2.906 25.508 -12.211 196 HD22 ASN 26 HD22 ASN 26 3.749 26.706 -13.128 197 H TYR 27 H TYR 27 -0.109 22.277 -14.514 198 HA TYR 27 HA TYR 27 0.633 22.546 -17.277 199 HB2 TYR 27 HB2 TYR 27 -0.724 20.650 -16.541 200 HB3 TYR 27 HB3 TYR 27 -1.994 21.745 -16.007 201 HD1 TYR 27 HD1 TYR 27 -0.066 20.844 -19.076 202 HD2 TYR 27 HD2 TYR 27 -3.752 22.206 -17.443 203 HE1 TYR 27 HE1 TYR 27 -1.089 20.736 -21.310 204 HE2 TYR 27 HE2 TYR 27 -4.785 22.100 -19.672 205 HH TYR 27 HH TYR 27 -3.008 20.849 -22.464 206 H GLY 28 H GLY 28 -1.366 24.294 -14.991 207 HA2 GLY 28 HA2 GLY 28 -1.487 26.736 -15.517 208 HA3 GLY 28 HA3 GLY 28 -1.995 26.240 -17.124 209 H ASN 29 H ASN 29 -3.101 24.520 -14.313 210 HA ASN 29 HA ASN 29 -5.835 25.236 -14.957 211 HB2 ASN 29 HB2 ASN 29 -4.699 23.339 -12.891 212 HB3 ASN 29 HB3 ASN 29 -6.416 23.552 -13.220 213 HD21 ASN 29 HD21 ASN 29 -3.783 21.700 -13.869 214 HD22 ASN 29 HD22 ASN 29 -4.298 20.976 -15.351 215 H GLY 30 H GLY 30 -6.836 26.908 -14.064 216 HA2 GLY 30 HA2 GLY 30 -5.738 28.107 -11.635 217 HA3 GLY 30 HA3 GLY 30 -6.925 28.834 -12.708 218 H ARG 31 H ARG 31 -7.279 25.562 -11.563 219 HA ARG 31 HA ARG 31 -8.899 26.194 -9.301 220 HB2 ARG 31 HB2 ARG 31 -10.295 26.689 -11.478 221 HB3 ARG 31 HB3 ARG 31 -10.483 24.941 -11.506 222 HG2 ARG 31 HG2 ARG 31 -11.117 26.529 -9.047 223 HG3 ARG 31 HG3 ARG 31 -12.289 26.344 -10.354 224 HD2 ARG 31 HD2 ARG 31 -10.957 24.091 -8.854 225 HD3 ARG 31 HD3 ARG 31 -12.602 24.668 -8.587 226 HE ARG 31 HE ARG 31 -11.714 22.917 -10.658 227 HH11 ARG 31 HH11 ARG 31 -14.039 25.387 -9.874 228 HH12 ARG 31 HH12 ARG 31 -15.208 24.835 -11.028 229 HH21 ARG 31 HH21 ARG 31 -13.245 22.181 -12.180 230 HH22 ARG 31 HH22 ARG 31 -14.756 23.011 -12.338 231 H GLY 32 H GLY 32 -7.024 24.643 -8.862 232 HA2 GLY 32 HA2 GLY 32 -7.861 22.222 -7.998 233 HA3 GLY 32 HA3 GLY 32 -7.439 21.899 -9.673 234 H ILE 33 H ILE 33 -6.115 23.352 -6.711 235 HA ILE 33 HA ILE 33 -3.402 22.892 -7.620 236 HB ILE 33 HB ILE 33 -4.269 23.830 -4.888 237 HG12 ILE 33 HG12 ILE 33 -3.700 25.471 -7.367 238 HG13 ILE 33 HG13 ILE 33 -5.267 25.284 -6.589 239 HG21 ILE 33 HG21 ILE 33 -2.097 24.397 -4.506 240 HG22 ILE 33 HG22 ILE 33 -1.840 23.038 -5.602 241 HG23 ILE 33 HG23 ILE 33 -1.757 24.691 -6.212 242 HD11 ILE 33 HD11 ILE 33 -3.460 26.191 -4.623 243 HD12 ILE 33 HD12 ILE 33 -3.227 27.184 -6.061 244 HD13 ILE 33 HD13 ILE 33 -4.828 27.045 -5.335 245 H LEU 34 H LEU 34 -3.029 20.716 -7.702 246 HA LEU 34 HA LEU 34 -2.841 19.362 -5.123 247 HB2 LEU 34 HB2 LEU 34 -4.023 17.922 -7.472 248 HB3 LEU 34 HB3 LEU 34 -4.003 17.433 -5.779 249 HG LEU 34 HG LEU 34 -5.577 19.800 -6.768 250 HD11 LEU 34 HD11 LEU 34 -7.408 17.836 -6.262 251 HD12 LEU 34 HD12 LEU 34 -6.860 18.334 -7.863 252 HD13 LEU 34 HD13 LEU 34 -6.117 16.945 -7.069 253 HD21 LEU 34 HD21 LEU 34 -6.411 19.945 -4.676 254 HD22 LEU 34 HD22 LEU 34 -6.384 18.200 -4.426 255 HD23 LEU 34 HD23 LEU 34 -4.902 19.139 -4.249 256 H TRP 35 H TRP 35 -1.105 18.033 -4.951 257 HA TRP 35 HA TRP 35 0.716 17.972 -7.239 258 HB2 TRP 35 HB2 TRP 35 1.108 17.488 -4.287 259 HB3 TRP 35 HB3 TRP 35 2.357 17.130 -5.476 260 HD1 TRP 35 HD1 TRP 35 0.120 20.271 -5.557 261 HE1 TRP 35 HE1 TRP 35 1.633 22.341 -5.333 262 HE3 TRP 35 HE3 TRP 35 4.585 17.926 -4.718 263 HZ2 TRP 35 HZ2 TRP 35 4.358 22.906 -4.863 264 HZ3 TRP 35 HZ3 TRP 35 6.597 19.304 -4.391 265 HH2 TRP 35 HH2 TRP 35 6.484 21.742 -4.463 266 H LYS 36 H LYS 36 1.543 16.096 -8.104 267 HA LYS 36 HA LYS 36 0.504 13.552 -7.071 268 HB2 LYS 36 HB2 LYS 36 0.568 14.200 -10.017 269 HB3 LYS 36 HB3 LYS 36 -0.159 12.801 -9.238 270 HG2 LYS 36 HG2 LYS 36 -1.841 14.232 -8.210 271 HG3 LYS 36 HG3 LYS 36 -1.102 15.648 -8.961 272 HD2 LYS 36 HD2 LYS 36 -2.031 13.323 -10.613 273 HD3 LYS 36 HD3 LYS 36 -3.155 14.583 -10.098 274 HE2 LYS 36 HE2 LYS 36 -1.319 16.182 -11.066 275 HE3 LYS 36 HE3 LYS 36 -0.836 14.748 -11.970 276 HZ1 LYS 36 HZ1 LYS 36 -3.339 16.284 -12.130 277 HZ2 LYS 36 HZ2 LYS 36 -2.344 15.725 -13.379 278 HZ3 LYS 36 HZ3 LYS 36 -3.344 14.644 -12.545 279 H CYS 37 H CYS 37 1.679 11.660 -7.931 280 HA CYS 37 HA CYS 37 4.499 12.109 -7.817 281 HB2 CYS 37 HB2 CYS 37 2.911 9.596 -8.376 282 HB3 CYS 37 HB3 CYS 37 4.652 9.643 -8.114 283 H VAL 38 H VAL 38 5.541 12.950 -9.504 284 HA VAL 38 HA VAL 38 4.766 12.134 -12.216 285 HB VAL 38 HB VAL 38 6.228 14.047 -12.941 286 HG11 VAL 38 HG11 VAL 38 3.917 14.447 -12.977 287 HG12 VAL 38 HG12 VAL 38 3.810 14.492 -11.217 288 HG13 VAL 38 HG13 VAL 38 4.594 15.810 -12.087 289 HG21 VAL 38 HG21 VAL 38 7.608 14.167 -10.913 290 HG22 VAL 38 HG22 VAL 38 6.859 15.718 -11.290 291 HG23 VAL 38 HG23 VAL 38 6.202 14.713 -9.998 292 H ARG 39 H ARG 39 6.421 11.619 -13.767 293 HA ARG 39 HA ARG 39 8.406 9.864 -12.697 294 HB2 ARG 39 HB2 ARG 39 9.061 9.599 -15.114 295 HB3 ARG 39 HB3 ARG 39 7.380 9.228 -14.752 296 HG2 ARG 39 HG2 ARG 39 7.729 12.005 -15.483 297 HG3 ARG 39 HG3 ARG 39 8.318 10.911 -16.736 298 HD2 ARG 39 HD2 ARG 39 5.672 10.382 -15.468 299 HD3 ARG 39 HD3 ARG 39 5.804 11.662 -16.674 300 HE ARG 39 HE ARG 39 6.987 9.263 -17.613 301 HH11 ARG 39 HH11 ARG 39 3.906 10.780 -17.042 302 HH12 ARG 39 HH12 ARG 39 3.084 9.869 -18.266 303 HH21 ARG 39 HH21 ARG 39 5.916 8.057 -19.227 304 HH22 ARG 39 HH22 ARG 39 4.228 8.320 -19.507 305 H ALA 40 H ALA 40 9.928 10.982 -11.539 306 HA ALA 40 HA ALA 40 11.133 13.400 -12.325 307 HB1 ALA 40 HB1 ALA 40 11.657 11.328 -10.286 308 HB2 ALA 40 HB2 ALA 40 13.016 12.361 -10.726 309 HB3 ALA 40 HB3 ALA 40 11.523 13.078 -10.120 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.370 -0.803 1.348 2 HA2 GLY 1 HA2 GLY 1 3.441 -0.508 -0.981 3 HA3 GLY 1 HA3 GLY 1 1.776 -0.080 -0.617 4 H CYS 2 H CYS 2 3.774 0.856 -2.682 5 HA CYS 2 HA CYS 2 3.801 3.722 -2.025 6 HB2 CYS 2 HB2 CYS 2 5.441 3.919 -3.884 7 HB3 CYS 2 HB3 CYS 2 5.990 2.858 -2.590 8 H LYS 3 H LYS 3 3.293 5.235 -3.768 9 HA LYS 3 HA LYS 3 0.950 4.339 -5.239 10 HB2 LYS 3 HB2 LYS 3 2.110 7.124 -5.089 11 HB3 LYS 3 HB3 LYS 3 0.493 6.673 -5.615 12 HG2 LYS 3 HG2 LYS 3 1.139 5.772 -2.915 13 HG3 LYS 3 HG3 LYS 3 1.171 7.526 -3.112 14 HD2 LYS 3 HD2 LYS 3 -1.044 7.253 -2.642 15 HD3 LYS 3 HD3 LYS 3 -1.103 7.042 -4.393 16 HE2 LYS 3 HE2 LYS 3 -0.562 4.509 -3.548 17 HE3 LYS 3 HE3 LYS 3 -1.576 5.110 -2.237 18 HZ1 LYS 3 HZ1 LYS 3 -2.291 4.418 -4.930 19 HZ2 LYS 3 HZ2 LYS 3 -3.268 4.559 -3.555 20 HZ3 LYS 3 HZ3 LYS 3 -2.883 5.933 -4.464 21 H ASN 4 H ASN 4 0.655 4.736 -7.492 22 HA ASN 4 HA ASN 4 3.073 4.288 -9.017 23 HB2 ASN 4 HB2 ASN 4 0.633 3.249 -9.299 24 HB3 ASN 4 HB3 ASN 4 0.435 4.643 -10.356 25 HD21 ASN 4 HD21 ASN 4 0.184 3.099 -12.060 26 HD22 ASN 4 HD22 ASN 4 1.578 2.390 -12.796 27 H LEU 5 H LEU 5 2.597 5.443 -11.423 28 HA LEU 5 HA LEU 5 3.456 8.108 -11.007 29 HB2 LEU 5 HB2 LEU 5 4.063 6.680 -12.952 30 HB3 LEU 5 HB3 LEU 5 2.416 6.870 -13.551 31 HG LEU 5 HG LEU 5 2.844 9.339 -13.675 32 HD11 LEU 5 HD11 LEU 5 4.892 10.269 -13.284 33 HD12 LEU 5 HD12 LEU 5 4.903 8.990 -12.070 34 HD13 LEU 5 HD13 LEU 5 5.760 8.766 -13.595 35 HD21 LEU 5 HD21 LEU 5 2.931 7.954 -15.661 36 HD22 LEU 5 HD22 LEU 5 4.193 9.184 -15.728 37 HD23 LEU 5 HD23 LEU 5 4.605 7.520 -15.315 38 H ASN 6 H ASN 6 2.427 10.064 -11.713 39 HA ASN 6 HA ASN 6 0.715 11.562 -11.676 40 HB2 ASN 6 HB2 ASN 6 -1.104 9.462 -12.814 41 HB3 ASN 6 HB3 ASN 6 -1.039 11.185 -13.172 42 HD21 ASN 6 HD21 ASN 6 -0.460 8.266 -14.433 43 HD22 ASN 6 HD22 ASN 6 0.790 8.653 -15.561 44 H SER 7 H SER 7 1.042 9.566 -9.450 45 HA SER 7 HA SER 7 -1.614 9.120 -8.436 46 HB2 SER 7 HB2 SER 7 1.162 8.615 -7.423 47 HB3 SER 7 HB3 SER 7 -0.197 8.545 -6.302 48 HG SER 7 HG SER 7 -1.097 7.124 -8.136 49 H HIS 8 H HIS 8 -2.773 10.390 -7.128 50 HA HIS 8 HA HIS 8 -2.063 13.074 -6.686 51 HB2 HIS 8 HB2 HIS 8 -4.269 11.288 -5.773 52 HB3 HIS 8 HB3 HIS 8 -4.035 12.811 -4.921 53 HD1 HIS 8 HD1 HIS 8 -5.438 11.377 -7.994 54 HD2 HIS 8 HD2 HIS 8 -4.353 15.139 -6.601 55 HE1 HIS 8 HE1 HIS 8 -6.534 13.015 -9.556 56 H CYS 9 H CYS 9 -0.533 13.784 -5.363 57 HA CYS 9 HA CYS 9 -0.395 12.689 -2.648 58 HB2 CYS 9 HB2 CYS 9 1.949 12.397 -2.686 59 HB3 CYS 9 HB3 CYS 9 1.373 11.664 -4.180 60 H TYR 10 H TYR 10 0.190 14.151 -1.070 61 HA TYR 10 HA TYR 10 -0.153 16.923 -1.753 62 HB2 TYR 10 HB2 TYR 10 0.661 15.930 0.964 63 HB3 TYR 10 HB3 TYR 10 -0.324 17.329 0.550 64 HD1 TYR 10 HD1 TYR 10 -0.714 14.681 2.381 65 HD2 TYR 10 HD2 TYR 10 -2.272 16.096 -1.317 66 HE1 TYR 10 HE1 TYR 10 -2.749 13.345 2.733 67 HE2 TYR 10 HE2 TYR 10 -4.311 14.765 -0.974 68 HH TYR 10 HH TYR 10 -5.212 13.492 1.917 69 H ARG 11 H ARG 11 1.329 18.618 -1.232 70 HA ARG 11 HA ARG 11 3.989 18.073 -2.045 71 HB2 ARG 11 HB2 ARG 11 3.107 20.594 -0.656 72 HB3 ARG 11 HB3 ARG 11 4.372 20.398 -1.862 73 HG2 ARG 11 HG2 ARG 11 2.850 21.180 -3.293 74 HG3 ARG 11 HG3 ARG 11 2.175 19.551 -3.228 75 HD2 ARG 11 HD2 ARG 11 0.293 20.715 -2.718 76 HD3 ARG 11 HD3 ARG 11 0.960 20.571 -1.092 77 HE ARG 11 HE ARG 11 1.930 22.915 -2.330 78 HH11 ARG 11 HH11 ARG 11 -0.961 21.573 -0.929 79 HH12 ARG 11 HH12 ARG 11 -1.600 23.111 -0.453 80 HH21 ARG 11 HH21 ARG 11 1.099 24.946 -1.708 81 HH22 ARG 11 HH22 ARG 11 -0.428 25.029 -0.897 82 H GLN 12 H GLN 12 2.497 17.598 0.883 83 HA GLN 12 HA GLN 12 4.704 18.324 2.593 84 HB2 GLN 12 HB2 GLN 12 2.027 17.054 2.992 85 HB3 GLN 12 HB3 GLN 12 3.246 16.886 4.248 86 HG2 GLN 12 HG2 GLN 12 3.404 19.520 3.863 87 HG3 GLN 12 HG3 GLN 12 1.729 19.265 3.376 88 HE21 GLN 12 HE21 GLN 12 1.000 20.448 5.160 89 HE22 GLN 12 HE22 GLN 12 1.010 19.785 6.755 90 H HIS 13 H HIS 13 3.089 15.208 1.939 91 HA HIS 13 HA HIS 13 5.565 13.826 2.653 92 HB2 HIS 13 HB2 HIS 13 3.035 12.398 1.930 93 HB3 HIS 13 HB3 HIS 13 4.291 11.932 3.073 94 HD1 HIS 13 HD1 HIS 13 3.921 12.525 5.480 95 HD2 HIS 13 HD2 HIS 13 1.272 14.466 2.935 96 HE1 HIS 13 HE1 HIS 13 2.249 13.653 6.982 97 H ARG 14 H ARG 14 5.340 11.503 1.223 98 HA ARG 14 HA ARG 14 4.883 11.844 -1.540 99 HB2 ARG 14 HB2 ARG 14 6.830 13.328 -1.390 100 HB3 ARG 14 HB3 ARG 14 7.772 12.030 -0.669 101 HG2 ARG 14 HG2 ARG 14 7.038 10.792 -2.906 102 HG3 ARG 14 HG3 ARG 14 6.967 12.458 -3.482 103 HD2 ARG 14 HD2 ARG 14 9.348 11.304 -2.046 104 HD3 ARG 14 HD3 ARG 14 9.172 11.276 -3.800 105 HE ARG 14 HE ARG 14 8.806 13.904 -2.962 106 HH11 ARG 14 HH11 ARG 14 11.328 11.506 -3.018 107 HH12 ARG 14 HH12 ARG 14 12.609 12.667 -3.127 108 HH21 ARG 14 HH21 ARG 14 10.483 15.443 -3.106 109 HH22 ARG 14 HH22 ARG 14 12.128 14.906 -3.176 110 H GLU 15 H GLU 15 3.874 9.829 -0.821 111 HA GLU 15 HA GLU 15 5.656 7.607 -0.247 112 HB2 GLU 15 HB2 GLU 15 3.652 6.305 0.094 113 HB3 GLU 15 HB3 GLU 15 3.488 7.840 0.936 114 HG2 GLU 15 HG2 GLU 15 2.430 8.220 -1.641 115 HG3 GLU 15 HG3 GLU 15 1.801 6.682 -1.052 116 H CYS 16 H CYS 16 5.834 8.927 -2.836 117 HA CYS 16 HA CYS 16 4.589 7.270 -4.803 118 HB2 CYS 16 HB2 CYS 16 6.974 9.099 -5.139 119 HB3 CYS 16 HB3 CYS 16 5.921 8.495 -6.414 120 H CYS 17 H CYS 17 5.457 5.627 -6.030 121 HA CYS 17 HA CYS 17 7.217 3.851 -4.820 122 HB2 CYS 17 HB2 CYS 17 6.313 4.160 -7.676 123 HB3 CYS 17 HB3 CYS 17 7.411 2.872 -7.190 124 H HIS 18 H HIS 18 9.285 3.034 -5.897 125 HA HIS 18 HA HIS 18 11.234 5.067 -5.761 126 HB2 HIS 18 HB2 HIS 18 11.836 2.820 -5.160 127 HB3 HIS 18 HB3 HIS 18 11.384 2.216 -6.751 128 HD1 HIS 18 HD1 HIS 18 13.188 2.132 -8.473 129 HD2 HIS 18 HD2 HIS 18 14.217 4.506 -5.222 130 HE1 HIS 18 HE1 HIS 18 15.601 2.748 -8.827 131 H GLY 19 H GLY 19 11.720 6.545 -7.235 132 HA2 GLY 19 HA2 GLY 19 12.673 6.888 -9.480 133 HA3 GLY 19 HA3 GLY 19 11.415 5.819 -10.084 134 H LEU 20 H LEU 20 9.491 7.146 -8.153 135 HA LEU 20 HA LEU 20 8.880 9.426 -9.894 136 HB2 LEU 20 HB2 LEU 20 7.102 7.986 -7.933 137 HB3 LEU 20 HB3 LEU 20 6.606 9.250 -9.055 138 HG LEU 20 HG LEU 20 7.504 6.456 -9.751 139 HD11 LEU 20 HD11 LEU 20 5.316 6.199 -9.141 140 HD12 LEU 20 HD12 LEU 20 4.882 7.851 -9.580 141 HD13 LEU 20 HD13 LEU 20 5.116 6.636 -10.837 142 HD21 LEU 20 HD21 LEU 20 7.288 8.916 -11.363 143 HD22 LEU 20 HD22 LEU 20 8.260 7.467 -11.621 144 HD23 LEU 20 HD23 LEU 20 6.551 7.471 -12.054 145 H VAL 21 H VAL 21 7.957 11.364 -8.902 146 HA VAL 21 HA VAL 21 8.610 11.798 -6.092 147 HB VAL 21 HB VAL 21 9.881 13.825 -6.519 148 HG11 VAL 21 HG11 VAL 21 11.914 12.805 -7.515 149 HG12 VAL 21 HG12 VAL 21 11.161 11.805 -6.272 150 HG13 VAL 21 HG13 VAL 21 10.941 11.408 -7.976 151 HG21 VAL 21 HG21 VAL 21 10.623 14.385 -8.805 152 HG22 VAL 21 HG22 VAL 21 9.570 13.118 -9.435 153 HG23 VAL 21 HG23 VAL 21 8.874 14.514 -8.610 154 H CYS 22 H CYS 22 7.543 13.576 -5.154 155 HA CYS 22 HA CYS 22 5.020 14.191 -6.346 156 HB2 CYS 22 HB2 CYS 22 6.398 14.902 -3.786 157 HB3 CYS 22 HB3 CYS 22 4.978 15.821 -4.277 158 H ARG 23 H ARG 23 4.817 15.604 -7.949 159 HA ARG 23 HA ARG 23 6.004 18.251 -7.657 160 HB2 ARG 23 HB2 ARG 23 7.428 16.580 -9.120 161 HB3 ARG 23 HB3 ARG 23 6.222 16.959 -10.343 162 HG2 ARG 23 HG2 ARG 23 7.699 18.586 -10.848 163 HG3 ARG 23 HG3 ARG 23 6.833 19.441 -9.570 164 HD2 ARG 23 HD2 ARG 23 9.100 17.717 -8.754 165 HD3 ARG 23 HD3 ARG 23 9.491 19.208 -9.611 166 HE ARG 23 HE ARG 23 7.652 19.646 -7.474 167 HH11 ARG 23 HH11 ARG 23 11.018 19.184 -8.232 168 HH12 ARG 23 HH12 ARG 23 11.584 20.041 -6.837 169 HH21 ARG 23 HH21 ARG 23 8.385 20.776 -5.633 170 HH22 ARG 23 HH22 ARG 23 10.086 20.945 -5.359 171 H ARG 24 H ARG 24 4.972 19.875 -8.925 172 HA ARG 24 HA ARG 24 2.175 19.326 -9.364 173 HB2 ARG 24 HB2 ARG 24 2.058 21.769 -9.880 174 HB3 ARG 24 HB3 ARG 24 2.732 21.402 -8.298 175 HG2 ARG 24 HG2 ARG 24 4.969 21.798 -9.116 176 HG3 ARG 24 HG3 ARG 24 4.352 22.057 -10.749 177 HD2 ARG 24 HD2 ARG 24 2.862 23.834 -9.349 178 HD3 ARG 24 HD3 ARG 24 4.358 23.849 -8.416 179 HE ARG 24 HE ARG 24 5.125 24.087 -11.045 180 HH11 ARG 24 HH11 ARG 24 3.106 25.867 -8.838 181 HH12 ARG 24 HH12 ARG 24 3.410 27.398 -9.590 182 HH21 ARG 24 HH21 ARG 24 5.534 26.096 -12.043 183 HH22 ARG 24 HH22 ARG 24 4.791 27.527 -11.413 184 HA PRO 25 HA PRO 25 2.205 18.740 -13.714 185 HB2 PRO 25 HB2 PRO 25 -0.144 19.901 -14.422 186 HB3 PRO 25 HB3 PRO 25 -0.056 18.361 -13.559 187 HG2 PRO 25 HG2 PRO 25 -0.575 21.107 -12.486 188 HG3 PRO 25 HG3 PRO 25 -1.378 19.578 -12.083 189 HD2 PRO 25 HD2 PRO 25 0.535 20.678 -10.512 190 HD3 PRO 25 HD3 PRO 25 0.310 18.922 -10.657 191 H ASN 26 H ASN 26 1.713 20.013 -15.830 192 HA ASN 26 HA ASN 26 3.339 22.405 -15.741 193 HB2 ASN 26 HB2 ASN 26 3.431 20.525 -17.517 194 HB3 ASN 26 HB3 ASN 26 2.015 21.310 -18.210 195 HD21 ASN 26 HD21 ASN 26 2.765 22.218 -20.006 196 HD22 ASN 26 HD22 ASN 26 4.090 23.325 -20.086 197 H TYR 27 H TYR 27 0.274 21.710 -17.425 198 HA TYR 27 HA TYR 27 -0.455 24.507 -17.300 199 HB2 TYR 27 HB2 TYR 27 -0.929 23.305 -19.348 200 HB3 TYR 27 HB3 TYR 27 -1.870 22.104 -18.471 201 HD1 TYR 27 HD1 TYR 27 -4.172 22.340 -18.371 202 HD2 TYR 27 HD2 TYR 27 -1.783 25.779 -19.131 203 HE1 TYR 27 HE1 TYR 27 -6.210 23.670 -18.729 204 HE2 TYR 27 HE2 TYR 27 -3.814 27.118 -19.489 205 HH TYR 27 HH TYR 27 -7.011 25.810 -18.875 206 H GLY 28 H GLY 28 -2.304 25.346 -16.288 207 HA2 GLY 28 HA2 GLY 28 -4.357 24.282 -14.978 208 HA3 GLY 28 HA3 GLY 28 -3.049 23.903 -13.867 209 H ASN 29 H ASN 29 -2.573 25.361 -12.359 210 HA ASN 29 HA ASN 29 -2.534 27.296 -11.164 211 HB2 ASN 29 HB2 ASN 29 -2.915 28.731 -13.795 212 HB3 ASN 29 HB3 ASN 29 -2.188 29.367 -12.323 213 HD21 ASN 29 HD21 ASN 29 -1.172 29.054 -15.097 214 HD22 ASN 29 HD22 ASN 29 0.313 28.186 -14.934 215 H GLY 30 H GLY 30 -4.998 25.946 -11.445 216 HA2 GLY 30 HA2 GLY 30 -6.844 28.231 -11.166 217 HA3 GLY 30 HA3 GLY 30 -7.317 26.801 -12.071 218 H ARG 31 H ARG 31 -9.014 26.198 -10.779 219 HA ARG 31 HA ARG 31 -8.709 25.966 -7.924 220 HB2 ARG 31 HB2 ARG 31 -10.860 26.422 -9.430 221 HB3 ARG 31 HB3 ARG 31 -10.979 24.669 -9.348 222 HG2 ARG 31 HG2 ARG 31 -10.578 26.189 -6.824 223 HG3 ARG 31 HG3 ARG 31 -12.171 26.200 -7.585 224 HD2 ARG 31 HD2 ARG 31 -10.605 23.734 -6.830 225 HD3 ARG 31 HD3 ARG 31 -11.946 24.413 -5.909 226 HE ARG 31 HE ARG 31 -12.657 23.852 -8.619 227 HH11 ARG 31 HH11 ARG 31 -12.228 22.438 -5.467 228 HH12 ARG 31 HH12 ARG 31 -13.330 21.133 -5.758 229 HH21 ARG 31 HH21 ARG 31 -14.110 22.138 -9.015 230 HH22 ARG 31 HH22 ARG 31 -14.399 20.963 -7.778 231 H GLY 32 H GLY 32 -7.845 24.291 -6.899 232 HA2 GLY 32 HA2 GLY 32 -7.997 21.871 -6.491 233 HA3 GLY 32 HA3 GLY 32 -7.917 21.655 -8.233 234 H ILE 33 H ILE 33 -6.055 23.004 -5.520 235 HA ILE 33 HA ILE 33 -3.574 22.706 -6.980 236 HB ILE 33 HB ILE 33 -3.829 23.398 -4.062 237 HG12 ILE 33 HG12 ILE 33 -5.327 24.872 -5.345 238 HG13 ILE 33 HG13 ILE 33 -3.942 25.756 -4.713 239 HG21 ILE 33 HG21 ILE 33 -1.737 23.728 -6.175 240 HG22 ILE 33 HG22 ILE 33 -1.772 24.799 -4.774 241 HG23 ILE 33 HG23 ILE 33 -1.589 23.059 -4.550 242 HD11 ILE 33 HD11 ILE 33 -2.873 25.564 -6.936 243 HD12 ILE 33 HD12 ILE 33 -4.352 24.815 -7.539 244 HD13 ILE 33 HD13 ILE 33 -4.381 26.477 -6.949 245 H LEU 34 H LEU 34 -3.117 20.574 -7.283 246 HA LEU 34 HA LEU 34 -2.410 19.059 -4.890 247 HB2 LEU 34 HB2 LEU 34 -3.933 17.717 -7.097 248 HB3 LEU 34 HB3 LEU 34 -3.596 17.124 -5.472 249 HG LEU 34 HG LEU 34 -5.414 19.463 -6.003 250 HD11 LEU 34 HD11 LEU 34 -5.884 16.805 -6.758 251 HD12 LEU 34 HD12 LEU 34 -6.802 17.063 -5.274 252 HD13 LEU 34 HD13 LEU 34 -7.051 18.123 -6.661 253 HD21 LEU 34 HD21 LEU 34 -5.673 17.655 -3.672 254 HD22 LEU 34 HD22 LEU 34 -4.286 18.744 -3.696 255 HD23 LEU 34 HD23 LEU 34 -5.921 19.397 -3.793 256 H TRP 35 H TRP 35 -0.612 17.832 -5.128 257 HA TRP 35 HA TRP 35 0.756 18.011 -7.708 258 HB2 TRP 35 HB2 TRP 35 1.701 17.415 -4.908 259 HB3 TRP 35 HB3 TRP 35 2.727 17.145 -6.314 260 HD1 TRP 35 HD1 TRP 35 0.436 20.200 -6.173 261 HE1 TRP 35 HE1 TRP 35 1.893 22.317 -6.019 262 HE3 TRP 35 HE3 TRP 35 5.001 17.997 -5.509 263 HZ2 TRP 35 HZ2 TRP 35 4.616 22.967 -5.663 264 HZ3 TRP 35 HZ3 TRP 35 6.982 19.437 -5.270 265 HH2 TRP 35 HH2 TRP 35 6.792 21.870 -5.347 266 H LYS 36 H LYS 36 1.636 16.210 -8.752 267 HA LYS 36 HA LYS 36 0.560 13.612 -7.868 268 HB2 LYS 36 HB2 LYS 36 0.789 14.790 -10.629 269 HB3 LYS 36 HB3 LYS 36 0.647 13.055 -10.379 270 HG2 LYS 36 HG2 LYS 36 -1.497 13.303 -9.363 271 HG3 LYS 36 HG3 LYS 36 -1.338 15.061 -9.334 272 HD2 LYS 36 HD2 LYS 36 -1.230 13.534 -11.915 273 HD3 LYS 36 HD3 LYS 36 -2.772 13.988 -11.187 274 HE2 LYS 36 HE2 LYS 36 -2.425 16.233 -11.525 275 HE3 LYS 36 HE3 LYS 36 -0.670 16.073 -11.507 276 HZ1 LYS 36 HZ1 LYS 36 -2.089 16.427 -13.725 277 HZ2 LYS 36 HZ2 LYS 36 -0.600 15.623 -13.696 278 HZ3 LYS 36 HZ3 LYS 36 -2.041 14.736 -13.689 279 H CYS 37 H CYS 37 1.813 11.731 -8.475 280 HA CYS 37 HA CYS 37 4.614 12.142 -8.055 281 HB2 CYS 37 HB2 CYS 37 3.063 9.624 -8.694 282 HB3 CYS 37 HB3 CYS 37 4.755 9.671 -8.208 283 H VAL 38 H VAL 38 5.848 12.896 -9.651 284 HA VAL 38 HA VAL 38 5.357 11.982 -12.396 285 HB VAL 38 HB VAL 38 6.934 13.827 -13.034 286 HG11 VAL 38 HG11 VAL 38 4.403 14.468 -11.538 287 HG12 VAL 38 HG12 VAL 38 5.292 15.660 -12.485 288 HG13 VAL 38 HG13 VAL 38 4.612 14.237 -13.274 289 HG21 VAL 38 HG21 VAL 38 8.108 13.982 -10.878 290 HG22 VAL 38 HG22 VAL 38 7.460 15.540 -11.392 291 HG23 VAL 38 HG23 VAL 38 6.638 14.615 -10.136 292 H ARG 39 H ARG 39 7.164 11.376 -13.737 293 HA ARG 39 HA ARG 39 8.969 9.618 -12.384 294 HB2 ARG 39 HB2 ARG 39 9.871 9.236 -14.709 295 HB3 ARG 39 HB3 ARG 39 8.156 8.903 -14.503 296 HG2 ARG 39 HG2 ARG 39 7.551 10.486 -15.959 297 HG3 ARG 39 HG3 ARG 39 8.740 11.638 -15.349 298 HD2 ARG 39 HD2 ARG 39 9.429 11.199 -17.540 299 HD3 ARG 39 HD3 ARG 39 10.481 10.196 -16.541 300 HE ARG 39 HE ARG 39 9.559 8.340 -17.506 301 HH11 ARG 39 HH11 ARG 39 7.491 11.075 -18.109 302 HH12 ARG 39 HH12 ARG 39 6.447 10.212 -19.190 303 HH21 ARG 39 HH21 ARG 39 8.192 7.194 -18.927 304 HH22 ARG 39 HH22 ARG 39 6.847 8.005 -19.654 305 H ALA 40 H ALA 40 10.393 10.750 -11.123 306 HA ALA 40 HA ALA 40 11.740 13.102 -11.880 307 HB1 ALA 40 HB1 ALA 40 13.418 12.059 -10.050 308 HB2 ALA 40 HB2 ALA 40 11.918 12.891 -9.642 309 HB3 ALA 40 HB3 ALA 40 11.961 11.129 -9.702 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.022 -0.708 0.498 2 HA2 GLY 1 HA2 GLY 1 3.230 -0.367 -0.871 3 HA3 GLY 1 HA3 GLY 1 1.717 -0.555 -1.746 4 H CYS 2 H CYS 2 4.314 1.034 -2.145 5 HA CYS 2 HA CYS 2 3.852 3.763 -1.984 6 HB2 CYS 2 HB2 CYS 2 5.489 3.973 -3.840 7 HB3 CYS 2 HB3 CYS 2 6.033 2.883 -2.570 8 H LYS 3 H LYS 3 3.472 5.269 -3.837 9 HA LYS 3 HA LYS 3 1.079 4.408 -5.276 10 HB2 LYS 3 HB2 LYS 3 2.161 7.209 -5.264 11 HB3 LYS 3 HB3 LYS 3 0.500 6.671 -5.473 12 HG2 LYS 3 HG2 LYS 3 0.735 5.820 -3.036 13 HG3 LYS 3 HG3 LYS 3 2.099 6.938 -2.966 14 HD2 LYS 3 HD2 LYS 3 0.760 8.732 -2.887 15 HD3 LYS 3 HD3 LYS 3 -0.293 8.109 -4.160 16 HE2 LYS 3 HE2 LYS 3 -0.957 6.452 -2.145 17 HE3 LYS 3 HE3 LYS 3 -0.519 7.891 -1.224 18 HZ1 LYS 3 HZ1 LYS 3 -2.266 8.260 -3.534 19 HZ2 LYS 3 HZ2 LYS 3 -2.939 7.514 -2.173 20 HZ3 LYS 3 HZ3 LYS 3 -2.261 9.059 -2.043 21 H ASN 4 H ASN 4 0.818 4.700 -7.514 22 HA ASN 4 HA ASN 4 3.248 4.341 -9.026 23 HB2 ASN 4 HB2 ASN 4 0.826 3.263 -9.327 24 HB3 ASN 4 HB3 ASN 4 0.617 4.654 -10.387 25 HD21 ASN 4 HD21 ASN 4 0.906 4.090 -12.409 26 HD22 ASN 4 HD22 ASN 4 2.124 3.020 -13.008 27 H LEU 5 H LEU 5 2.705 5.496 -11.444 28 HA LEU 5 HA LEU 5 3.558 8.164 -11.031 29 HB2 LEU 5 HB2 LEU 5 4.124 6.741 -12.997 30 HB3 LEU 5 HB3 LEU 5 2.467 6.945 -13.562 31 HG LEU 5 HG LEU 5 2.920 9.424 -13.643 32 HD11 LEU 5 HD11 LEU 5 5.057 10.284 -13.434 33 HD12 LEU 5 HD12 LEU 5 4.992 9.104 -12.124 34 HD13 LEU 5 HD13 LEU 5 5.823 8.707 -13.628 35 HD21 LEU 5 HD21 LEU 5 2.983 7.823 -15.597 36 HD22 LEU 5 HD22 LEU 5 3.895 9.319 -15.794 37 HD23 LEU 5 HD23 LEU 5 4.738 7.815 -15.421 38 H ASN 6 H ASN 6 2.505 10.120 -11.653 39 HA ASN 6 HA ASN 6 0.784 11.606 -11.571 40 HB2 ASN 6 HB2 ASN 6 -1.031 9.510 -12.726 41 HB3 ASN 6 HB3 ASN 6 -0.997 11.243 -13.042 42 HD21 ASN 6 HD21 ASN 6 -0.394 8.363 -14.383 43 HD22 ASN 6 HD22 ASN 6 0.831 8.799 -15.522 44 H SER 7 H SER 7 1.157 9.575 -9.387 45 HA SER 7 HA SER 7 -1.479 9.083 -8.343 46 HB2 SER 7 HB2 SER 7 1.317 8.584 -7.392 47 HB3 SER 7 HB3 SER 7 -0.011 8.507 -6.234 48 HG SER 7 HG SER 7 0.022 7.074 -8.680 49 H HIS 8 H HIS 8 -2.624 10.293 -6.959 50 HA HIS 8 HA HIS 8 -1.966 12.989 -6.505 51 HB2 HIS 8 HB2 HIS 8 -4.085 11.138 -5.490 52 HB3 HIS 8 HB3 HIS 8 -3.878 12.704 -4.711 53 HD1 HIS 8 HD1 HIS 8 -4.068 11.571 -8.350 54 HD2 HIS 8 HD2 HIS 8 -5.607 14.461 -5.792 55 HE1 HIS 8 HE1 HIS 8 -5.597 12.978 -9.767 56 H CYS 9 H CYS 9 -0.543 13.819 -5.142 57 HA CYS 9 HA CYS 9 -0.262 12.684 -2.469 58 HB2 CYS 9 HB2 CYS 9 2.083 12.410 -2.562 59 HB3 CYS 9 HB3 CYS 9 1.477 11.664 -4.037 60 H TYR 10 H TYR 10 0.346 14.157 -0.912 61 HA TYR 10 HA TYR 10 0.013 16.932 -1.633 62 HB2 TYR 10 HB2 TYR 10 0.726 15.925 1.111 63 HB3 TYR 10 HB3 TYR 10 -0.185 17.366 0.673 64 HD1 TYR 10 HD1 TYR 10 -0.772 14.791 2.516 65 HD2 TYR 10 HD2 TYR 10 -2.102 16.167 -1.284 66 HE1 TYR 10 HE1 TYR 10 -2.872 13.545 2.807 67 HE2 TYR 10 HE2 TYR 10 -4.206 14.925 -1.003 68 HH TYR 10 HH TYR 10 -4.841 13.025 1.933 69 H ARG 11 H ARG 11 1.501 18.615 -1.028 70 HA ARG 11 HA ARG 11 4.170 18.047 -1.799 71 HB2 ARG 11 HB2 ARG 11 3.253 20.555 -0.400 72 HB3 ARG 11 HB3 ARG 11 4.587 20.371 -1.531 73 HG2 ARG 11 HG2 ARG 11 3.004 19.942 -3.338 74 HG3 ARG 11 HG3 ARG 11 1.663 20.115 -2.203 75 HD2 ARG 11 HD2 ARG 11 3.093 22.419 -1.796 76 HD3 ARG 11 HD3 ARG 11 3.284 22.153 -3.529 77 HE ARG 11 HE ARG 11 0.637 21.825 -3.177 78 HH11 ARG 11 HH11 ARG 11 2.852 24.319 -2.179 79 HH12 ARG 11 HH12 ARG 11 1.663 25.578 -2.232 80 HH21 ARG 11 HH21 ARG 11 -0.938 23.474 -3.250 81 HH22 ARG 11 HH22 ARG 11 -0.493 25.096 -2.840 82 H GLN 12 H GLN 12 2.613 17.541 1.089 83 HA GLN 12 HA GLN 12 4.790 18.214 2.857 84 HB2 GLN 12 HB2 GLN 12 2.090 16.974 3.174 85 HB3 GLN 12 HB3 GLN 12 3.280 16.752 4.450 86 HG2 GLN 12 HG2 GLN 12 3.502 19.380 4.173 87 HG3 GLN 12 HG3 GLN 12 1.849 19.195 3.588 88 HE21 GLN 12 HE21 GLN 12 3.271 20.226 6.134 89 HE22 GLN 12 HE22 GLN 12 2.317 19.553 7.407 90 H HIS 13 H HIS 13 3.159 15.125 2.122 91 HA HIS 13 HA HIS 13 5.613 13.710 2.850 92 HB2 HIS 13 HB2 HIS 13 3.094 12.296 2.079 93 HB3 HIS 13 HB3 HIS 13 4.319 11.835 3.257 94 HD1 HIS 13 HD1 HIS 13 3.890 12.447 5.651 95 HD2 HIS 13 HD2 HIS 13 1.296 14.356 3.026 96 HE1 HIS 13 HE1 HIS 13 2.175 13.576 7.103 97 H ARG 14 H ARG 14 5.515 11.441 1.414 98 HA ARG 14 HA ARG 14 5.077 11.861 -1.374 99 HB2 ARG 14 HB2 ARG 14 7.718 11.404 -1.686 100 HB3 ARG 14 HB3 ARG 14 6.998 13.008 -1.724 101 HG2 ARG 14 HG2 ARG 14 8.972 13.001 -0.332 102 HG3 ARG 14 HG3 ARG 14 7.534 13.296 0.649 103 HD2 ARG 14 HD2 ARG 14 7.542 11.062 1.472 104 HD3 ARG 14 HD3 ARG 14 8.779 10.576 0.313 105 HE ARG 14 HE ARG 14 9.640 12.668 2.074 106 HH11 ARG 14 HH11 ARG 14 9.266 9.226 1.712 107 HH12 ARG 14 HH12 ARG 14 10.504 8.839 2.861 108 HH21 ARG 14 HH21 ARG 14 11.272 12.172 3.589 109 HH22 ARG 14 HH22 ARG 14 11.643 10.516 3.929 110 H GLU 15 H GLU 15 3.924 9.892 -0.769 111 HA GLU 15 HA GLU 15 5.540 7.551 -0.181 112 HB2 GLU 15 HB2 GLU 15 3.329 6.369 -0.203 113 HB3 GLU 15 HB3 GLU 15 3.450 7.668 0.975 114 HG2 GLU 15 HG2 GLU 15 2.422 8.653 -1.525 115 HG3 GLU 15 HG3 GLU 15 1.464 7.294 -0.939 116 H CYS 16 H CYS 16 5.874 8.960 -2.731 117 HA CYS 16 HA CYS 16 4.661 7.376 -4.783 118 HB2 CYS 16 HB2 CYS 16 7.058 9.211 -4.972 119 HB3 CYS 16 HB3 CYS 16 6.089 8.617 -6.316 120 H CYS 17 H CYS 17 5.524 5.726 -5.986 121 HA CYS 17 HA CYS 17 7.256 3.928 -4.770 122 HB2 CYS 17 HB2 CYS 17 6.393 4.266 -7.636 123 HB3 CYS 17 HB3 CYS 17 7.469 2.963 -7.142 124 H HIS 18 H HIS 18 9.332 3.105 -5.821 125 HA HIS 18 HA HIS 18 11.289 5.132 -5.659 126 HB2 HIS 18 HB2 HIS 18 11.861 2.879 -5.036 127 HB3 HIS 18 HB3 HIS 18 11.450 2.278 -6.639 128 HD1 HIS 18 HD1 HIS 18 13.171 2.661 -8.527 129 HD2 HIS 18 HD2 HIS 18 14.376 4.089 -4.816 130 HE1 HIS 18 HE1 HIS 18 15.626 3.153 -8.760 131 H GLY 19 H GLY 19 11.768 6.612 -7.135 132 HA2 GLY 19 HA2 GLY 19 12.768 6.935 -9.367 133 HA3 GLY 19 HA3 GLY 19 11.520 5.862 -9.984 134 H LEU 20 H LEU 20 9.567 7.204 -8.089 135 HA LEU 20 HA LEU 20 8.980 9.469 -9.858 136 HB2 LEU 20 HB2 LEU 20 7.177 8.046 -7.906 137 HB3 LEU 20 HB3 LEU 20 6.695 9.301 -9.045 138 HG LEU 20 HG LEU 20 7.604 6.503 -9.709 139 HD11 LEU 20 HD11 LEU 20 5.221 6.685 -10.823 140 HD12 LEU 20 HD12 LEU 20 5.414 6.232 -9.130 141 HD13 LEU 20 HD13 LEU 20 4.978 7.887 -9.556 142 HD21 LEU 20 HD21 LEU 20 7.373 8.950 -11.347 143 HD22 LEU 20 HD22 LEU 20 8.385 7.523 -11.570 144 HD23 LEU 20 HD23 LEU 20 6.684 7.478 -12.032 145 H VAL 21 H VAL 21 8.016 11.407 -8.882 146 HA VAL 21 HA VAL 21 8.666 11.868 -6.075 147 HB VAL 21 HB VAL 21 9.898 13.919 -6.524 148 HG11 VAL 21 HG11 VAL 21 10.999 11.494 -7.937 149 HG12 VAL 21 HG12 VAL 21 11.950 12.917 -7.510 150 HG13 VAL 21 HG13 VAL 21 11.218 11.933 -6.243 151 HG21 VAL 21 HG21 VAL 21 9.616 13.164 -9.432 152 HG22 VAL 21 HG22 VAL 21 8.879 14.551 -8.632 153 HG23 VAL 21 HG23 VAL 21 10.631 14.466 -8.812 154 H CYS 22 H CYS 22 7.604 13.677 -5.159 155 HA CYS 22 HA CYS 22 5.052 14.222 -6.323 156 HB2 CYS 22 HB2 CYS 22 6.460 15.032 -3.807 157 HB3 CYS 22 HB3 CYS 22 5.004 15.894 -4.296 158 H ARG 23 H ARG 23 4.798 15.593 -7.954 159 HA ARG 23 HA ARG 23 5.955 18.262 -7.750 160 HB2 ARG 23 HB2 ARG 23 7.431 16.663 -9.161 161 HB3 ARG 23 HB3 ARG 23 6.159 16.804 -10.367 162 HG2 ARG 23 HG2 ARG 23 6.475 19.331 -10.136 163 HG3 ARG 23 HG3 ARG 23 7.982 18.931 -9.310 164 HD2 ARG 23 HD2 ARG 23 8.499 17.479 -11.352 165 HD3 ARG 23 HD3 ARG 23 7.182 18.343 -12.143 166 HE ARG 23 HE ARG 23 9.809 19.318 -11.654 167 HH11 ARG 23 HH11 ARG 23 6.472 20.290 -11.853 168 HH12 ARG 23 HH12 ARG 23 6.838 21.924 -12.297 169 HH21 ARG 23 HH21 ARG 23 10.304 21.467 -12.238 170 HH22 ARG 23 HH22 ARG 23 9.019 22.592 -12.516 171 H ARG 24 H ARG 24 4.899 19.833 -9.090 172 HA ARG 24 HA ARG 24 2.094 19.226 -9.460 173 HB2 ARG 24 HB2 ARG 24 1.922 21.664 -9.993 174 HB3 ARG 24 HB3 ARG 24 2.608 21.320 -8.411 175 HG2 ARG 24 HG2 ARG 24 4.832 21.762 -9.232 176 HG3 ARG 24 HG3 ARG 24 4.212 21.989 -10.868 177 HD2 ARG 24 HD2 ARG 24 2.681 23.751 -9.505 178 HD3 ARG 24 HD3 ARG 24 4.162 23.803 -8.549 179 HE ARG 24 HE ARG 24 4.627 24.040 -11.369 180 HH11 ARG 24 HH11 ARG 24 3.795 25.771 -8.465 181 HH12 ARG 24 HH12 ARG 24 4.380 27.294 -9.050 182 HH21 ARG 24 HH21 ARG 24 5.400 26.039 -12.150 183 HH22 ARG 24 HH22 ARG 24 5.292 27.445 -11.146 184 HA PRO 25 HA PRO 25 2.099 18.617 -13.807 185 HB2 PRO 25 HB2 PRO 25 -0.280 19.725 -14.502 186 HB3 PRO 25 HB3 PRO 25 -0.152 18.192 -13.631 187 HG2 PRO 25 HG2 PRO 25 -0.720 20.932 -12.568 188 HG3 PRO 25 HG3 PRO 25 -1.486 19.389 -12.150 189 HD2 PRO 25 HD2 PRO 25 0.415 20.537 -10.602 190 HD3 PRO 25 HD3 PRO 25 0.227 18.777 -10.735 191 H ASN 26 H ASN 26 1.515 19.887 -15.922 192 HA ASN 26 HA ASN 26 3.115 22.300 -15.868 193 HB2 ASN 26 HB2 ASN 26 3.417 20.587 -17.641 194 HB3 ASN 26 HB3 ASN 26 1.787 20.927 -18.215 195 HD21 ASN 26 HD21 ASN 26 1.592 22.372 -19.765 196 HD22 ASN 26 HD22 ASN 26 2.768 23.561 -20.198 197 H TYR 27 H TYR 27 0.079 21.600 -17.593 198 HA TYR 27 HA TYR 27 -0.713 24.376 -17.344 199 HB2 TYR 27 HB2 TYR 27 -1.127 23.372 -19.473 200 HB3 TYR 27 HB3 TYR 27 -1.949 22.000 -18.738 201 HD1 TYR 27 HD1 TYR 27 -2.228 25.614 -19.468 202 HD2 TYR 27 HD2 TYR 27 -4.264 22.095 -18.212 203 HE1 TYR 27 HE1 TYR 27 -4.381 26.774 -19.730 204 HE2 TYR 27 HE2 TYR 27 -6.423 23.245 -18.471 205 HH TYR 27 HH TYR 27 -6.604 26.673 -19.187 206 H GLY 28 H GLY 28 -1.383 24.875 -15.325 207 HA2 GLY 28 HA2 GLY 28 -3.792 23.504 -14.372 208 HA3 GLY 28 HA3 GLY 28 -2.414 23.594 -13.284 209 H ASN 29 H ASN 29 -5.280 24.878 -13.644 210 HA ASN 29 HA ASN 29 -4.620 27.692 -13.470 211 HB2 ASN 29 HB2 ASN 29 -7.313 26.423 -12.969 212 HB3 ASN 29 HB3 ASN 29 -6.973 28.089 -13.430 213 HD21 ASN 29 HD21 ASN 29 -5.200 27.764 -15.472 214 HD22 ASN 29 HD22 ASN 29 -5.968 26.960 -16.794 215 H GLY 30 H GLY 30 -6.170 28.775 -11.611 216 HA2 GLY 30 HA2 GLY 30 -4.778 28.316 -9.202 217 HA3 GLY 30 HA3 GLY 30 -6.225 29.299 -9.376 218 H ARG 31 H ARG 31 -7.854 27.112 -10.393 219 HA ARG 31 HA ARG 31 -8.544 25.944 -7.834 220 HB2 ARG 31 HB2 ARG 31 -10.205 26.899 -9.527 221 HB3 ARG 31 HB3 ARG 31 -9.922 25.438 -10.465 222 HG2 ARG 31 HG2 ARG 31 -10.904 24.069 -8.859 223 HG3 ARG 31 HG3 ARG 31 -10.759 25.292 -7.595 224 HD2 ARG 31 HD2 ARG 31 -12.995 25.445 -8.094 225 HD3 ARG 31 HD3 ARG 31 -12.328 26.671 -9.171 226 HE ARG 31 HE ARG 31 -12.541 24.067 -10.369 227 HH11 ARG 31 HH11 ARG 31 -14.197 27.052 -9.686 228 HH12 ARG 31 HH12 ARG 31 -15.327 26.875 -10.988 229 HH21 ARG 31 HH21 ARG 31 -14.023 23.822 -12.086 230 HH22 ARG 31 HH22 ARG 31 -15.227 25.037 -12.352 231 H GLY 32 H GLY 32 -8.515 23.781 -7.314 232 HA2 GLY 32 HA2 GLY 32 -8.057 21.521 -7.530 233 HA3 GLY 32 HA3 GLY 32 -7.806 21.772 -9.252 234 H ILE 33 H ILE 33 -6.224 22.973 -6.289 235 HA ILE 33 HA ILE 33 -3.629 22.683 -7.540 236 HB ILE 33 HB ILE 33 -4.218 23.498 -4.695 237 HG12 ILE 33 HG12 ILE 33 -5.415 24.929 -6.342 238 HG13 ILE 33 HG13 ILE 33 -4.178 25.801 -5.445 239 HG21 ILE 33 HG21 ILE 33 -1.933 22.946 -4.932 240 HG22 ILE 33 HG22 ILE 33 -1.820 23.768 -6.489 241 HG23 ILE 33 HG23 ILE 33 -2.020 24.706 -5.009 242 HD11 ILE 33 HD11 ILE 33 -3.264 26.449 -7.345 243 HD12 ILE 33 HD12 ILE 33 -2.987 24.767 -7.797 244 HD13 ILE 33 HD13 ILE 33 -4.496 25.562 -8.243 245 H LEU 34 H LEU 34 -3.168 20.531 -7.755 246 HA LEU 34 HA LEU 34 -2.584 19.107 -5.275 247 HB2 LEU 34 HB2 LEU 34 -4.046 17.756 -7.529 248 HB3 LEU 34 HB3 LEU 34 -3.676 17.101 -5.935 249 HG LEU 34 HG LEU 34 -5.568 19.402 -6.400 250 HD11 LEU 34 HD11 LEU 34 -6.138 17.050 -7.401 251 HD12 LEU 34 HD12 LEU 34 -6.486 16.650 -5.719 252 HD13 LEU 34 HD13 LEU 34 -7.353 17.966 -6.510 253 HD21 LEU 34 HD21 LEU 34 -5.961 19.393 -4.174 254 HD22 LEU 34 HD22 LEU 34 -5.721 17.652 -4.027 255 HD23 LEU 34 HD23 LEU 34 -4.327 18.730 -4.116 256 H TRP 35 H TRP 35 -0.779 17.864 -5.375 257 HA TRP 35 HA TRP 35 0.736 17.976 -7.875 258 HB2 TRP 35 HB2 TRP 35 1.518 17.454 -5.011 259 HB3 TRP 35 HB3 TRP 35 2.623 17.152 -6.350 260 HD1 TRP 35 HD1 TRP 35 0.303 20.209 -6.279 261 HE1 TRP 35 HE1 TRP 35 1.755 22.330 -6.148 262 HE3 TRP 35 HE3 TRP 35 4.878 18.022 -5.627 263 HZ2 TRP 35 HZ2 TRP 35 4.479 22.989 -5.813 264 HZ3 TRP 35 HZ3 TRP 35 6.856 19.469 -5.410 265 HH2 TRP 35 HH2 TRP 35 6.659 21.901 -5.502 266 H LYS 36 H LYS 36 1.665 16.151 -8.824 267 HA LYS 36 HA LYS 36 0.596 13.566 -7.898 268 HB2 LYS 36 HB2 LYS 36 0.210 12.875 -10.136 269 HB3 LYS 36 HB3 LYS 36 -0.489 14.482 -9.990 270 HG2 LYS 36 HG2 LYS 36 1.533 15.424 -11.042 271 HG3 LYS 36 HG3 LYS 36 2.152 13.784 -11.257 272 HD2 LYS 36 HD2 LYS 36 1.180 14.182 -13.310 273 HD3 LYS 36 HD3 LYS 36 -0.138 13.384 -12.447 274 HE2 LYS 36 HE2 LYS 36 -0.967 15.680 -11.826 275 HE3 LYS 36 HE3 LYS 36 0.224 16.331 -12.950 276 HZ1 LYS 36 HZ1 LYS 36 -2.196 14.760 -13.519 277 HZ2 LYS 36 HZ2 LYS 36 -1.644 16.181 -14.253 278 HZ3 LYS 36 HZ3 LYS 36 -0.896 14.704 -14.600 279 H CYS 37 H CYS 37 1.883 11.696 -8.426 280 HA CYS 37 HA CYS 37 4.674 12.161 -8.035 281 HB2 CYS 37 HB2 CYS 37 3.170 9.604 -8.628 282 HB3 CYS 37 HB3 CYS 37 4.859 9.692 -8.137 283 H VAL 38 H VAL 38 5.885 12.917 -9.650 284 HA VAL 38 HA VAL 38 5.412 11.945 -12.377 285 HB VAL 38 HB VAL 38 6.968 13.796 -13.045 286 HG11 VAL 38 HG11 VAL 38 4.663 14.207 -13.310 287 HG12 VAL 38 HG12 VAL 38 4.417 14.400 -11.575 288 HG13 VAL 38 HG13 VAL 38 5.303 15.626 -12.481 289 HG21 VAL 38 HG21 VAL 38 7.492 15.534 -11.438 290 HG22 VAL 38 HG22 VAL 38 6.662 14.639 -10.164 291 HG23 VAL 38 HG23 VAL 38 8.136 13.988 -10.883 292 H ARG 39 H ARG 39 7.232 11.350 -13.712 293 HA ARG 39 HA ARG 39 9.052 9.626 -12.333 294 HB2 ARG 39 HB2 ARG 39 9.961 9.224 -14.652 295 HB3 ARG 39 HB3 ARG 39 8.250 8.875 -14.444 296 HG2 ARG 39 HG2 ARG 39 7.632 10.428 -15.925 297 HG3 ARG 39 HG3 ARG 39 8.800 11.606 -15.321 298 HD2 ARG 39 HD2 ARG 39 10.554 10.098 -16.481 299 HD3 ARG 39 HD3 ARG 39 9.173 9.446 -17.361 300 HE ARG 39 HE ARG 39 9.146 12.264 -17.482 301 HH11 ARG 39 HH11 ARG 39 10.867 9.506 -18.727 302 HH12 ARG 39 HH12 ARG 39 11.339 10.298 -20.194 303 HH21 ARG 39 HH21 ARG 39 9.761 13.318 -19.409 304 HH22 ARG 39 HH22 ARG 39 10.711 12.467 -20.580 305 H ALA 40 H ALA 40 10.458 10.795 -11.082 306 HA ALA 40 HA ALA 40 11.784 13.147 -11.876 307 HB1 ALA 40 HB1 ALA 40 11.984 11.235 -9.651 308 HB2 ALA 40 HB2 ALA 40 13.460 12.129 -10.015 309 HB3 ALA 40 HB3 ALA 40 11.973 12.999 -9.639 Start of MODEL 6 1 H1 GLY 1 H GLY 1 2.506 -0.173 0.789 2 HA2 GLY 1 HA2 GLY 1 4.646 -0.773 -0.193 3 HA3 GLY 1 HA3 GLY 1 3.815 -0.996 -1.725 4 H CYS 2 H CYS 2 3.721 0.663 -3.120 5 HA CYS 2 HA CYS 2 4.319 3.362 -2.134 6 HB2 CYS 2 HB2 CYS 2 5.793 3.714 -4.125 7 HB3 CYS 2 HB3 CYS 2 6.433 2.562 -2.958 8 H LYS 3 H LYS 3 3.809 5.053 -3.768 9 HA LYS 3 HA LYS 3 1.270 4.421 -5.033 10 HB2 LYS 3 HB2 LYS 3 2.669 7.092 -4.849 11 HB3 LYS 3 HB3 LYS 3 0.983 6.809 -5.261 12 HG2 LYS 3 HG2 LYS 3 1.726 5.675 -2.686 13 HG3 LYS 3 HG3 LYS 3 1.958 7.423 -2.771 14 HD2 LYS 3 HD2 LYS 3 -0.227 7.505 -2.239 15 HD3 LYS 3 HD3 LYS 3 -0.474 7.158 -3.952 16 HE2 LYS 3 HE2 LYS 3 -1.827 5.627 -2.757 17 HE3 LYS 3 HE3 LYS 3 -0.437 4.712 -3.339 18 HZ1 LYS 3 HZ1 LYS 3 -0.500 4.029 -1.185 19 HZ2 LYS 3 HZ2 LYS 3 0.499 5.381 -0.996 20 HZ3 LYS 3 HZ3 LYS 3 -1.144 5.482 -0.605 21 H ASN 4 H ASN 4 0.807 4.703 -7.212 22 HA ASN 4 HA ASN 4 3.055 4.332 -8.986 23 HB2 ASN 4 HB2 ASN 4 0.617 3.260 -9.029 24 HB3 ASN 4 HB3 ASN 4 0.285 4.667 -10.034 25 HD21 ASN 4 HD21 ASN 4 0.228 3.995 -12.054 26 HD22 ASN 4 HD22 ASN 4 1.409 2.993 -12.821 27 H LEU 5 H LEU 5 2.408 5.506 -11.305 28 HA LEU 5 HA LEU 5 3.219 8.190 -10.922 29 HB2 LEU 5 HB2 LEU 5 3.741 6.810 -12.916 30 HB3 LEU 5 HB3 LEU 5 2.050 6.928 -13.398 31 HG LEU 5 HG LEU 5 2.377 9.427 -13.511 32 HD11 LEU 5 HD11 LEU 5 5.304 8.895 -13.690 33 HD12 LEU 5 HD12 LEU 5 4.449 10.401 -13.357 34 HD13 LEU 5 HD13 LEU 5 4.567 9.160 -12.110 35 HD21 LEU 5 HD21 LEU 5 4.294 8.315 -15.448 36 HD22 LEU 5 HD22 LEU 5 2.726 7.512 -15.382 37 HD23 LEU 5 HD23 LEU 5 2.817 9.242 -15.712 38 H ASN 6 H ASN 6 2.099 10.126 -11.491 39 HA ASN 6 HA ASN 6 0.356 11.577 -11.320 40 HB2 ASN 6 HB2 ASN 6 -1.462 9.448 -12.411 41 HB3 ASN 6 HB3 ASN 6 -1.486 11.184 -12.711 42 HD21 ASN 6 HD21 ASN 6 -0.941 8.377 -14.160 43 HD22 ASN 6 HD22 ASN 6 0.247 8.837 -15.327 44 H SER 7 H SER 7 0.863 9.540 -9.168 45 HA SER 7 HA SER 7 -1.714 8.992 -8.013 46 HB2 SER 7 HB2 SER 7 1.130 8.560 -7.163 47 HB3 SER 7 HB3 SER 7 -0.168 8.411 -5.978 48 HG SER 7 HG SER 7 -1.048 6.760 -7.157 49 H HIS 8 H HIS 8 -2.867 10.272 -6.730 50 HA HIS 8 HA HIS 8 -2.265 12.938 -6.256 51 HB2 HIS 8 HB2 HIS 8 -4.131 11.093 -4.754 52 HB3 HIS 8 HB3 HIS 8 -4.093 12.841 -4.543 53 HD1 HIS 8 HD1 HIS 8 -6.504 11.049 -5.693 54 HD2 HIS 8 HD2 HIS 8 -3.904 13.451 -7.868 55 HE1 HIS 8 HE1 HIS 8 -7.726 11.609 -7.819 56 H CYS 9 H CYS 9 -0.437 13.538 -5.252 57 HA CYS 9 HA CYS 9 -0.092 12.696 -2.468 58 HB2 CYS 9 HB2 CYS 9 1.453 11.261 -3.558 59 HB3 CYS 9 HB3 CYS 9 2.001 12.543 -4.633 60 H TYR 10 H TYR 10 -0.184 14.496 -1.311 61 HA TYR 10 HA TYR 10 0.224 17.084 -2.388 62 HB2 TYR 10 HB2 TYR 10 0.294 16.455 0.554 63 HB3 TYR 10 HB3 TYR 10 -0.300 17.907 -0.244 64 HD1 TYR 10 HD1 TYR 10 -1.949 16.501 -2.385 65 HD2 TYR 10 HD2 TYR 10 -1.638 15.910 1.817 66 HE1 TYR 10 HE1 TYR 10 -4.233 15.588 -2.350 67 HE2 TYR 10 HE2 TYR 10 -3.920 14.995 1.864 68 HH TYR 10 HH TYR 10 -6.119 15.424 -0.418 69 H ARG 11 H ARG 11 1.804 18.663 -1.643 70 HA ARG 11 HA ARG 11 4.455 17.688 -1.874 71 HB2 ARG 11 HB2 ARG 11 5.147 19.960 -1.731 72 HB3 ARG 11 HB3 ARG 11 3.624 19.955 -2.610 73 HG2 ARG 11 HG2 ARG 11 2.653 20.351 -0.175 74 HG3 ARG 11 HG3 ARG 11 4.265 21.023 0.076 75 HD2 ARG 11 HD2 ARG 11 3.601 22.143 -2.301 76 HD3 ARG 11 HD3 ARG 11 2.019 22.031 -1.531 77 HE ARG 11 HE ARG 11 3.868 23.122 0.286 78 HH11 ARG 11 HH11 ARG 11 2.169 23.929 -2.643 79 HH12 ARG 11 HH12 ARG 11 2.156 25.632 -2.321 80 HH21 ARG 11 HH21 ARG 11 3.857 25.361 0.722 81 HH22 ARG 11 HH22 ARG 11 3.117 26.445 -0.407 82 H GLN 12 H GLN 12 2.389 17.700 0.725 83 HA GLN 12 HA GLN 12 4.235 18.351 2.814 84 HB2 GLN 12 HB2 GLN 12 1.489 17.157 2.707 85 HB3 GLN 12 HB3 GLN 12 2.412 17.090 4.203 86 HG2 GLN 12 HG2 GLN 12 2.128 19.701 2.808 87 HG3 GLN 12 HG3 GLN 12 0.759 19.060 3.714 88 HE21 GLN 12 HE21 GLN 12 1.263 18.369 5.968 89 HE22 GLN 12 HE22 GLN 12 2.352 19.355 6.877 90 H HIS 13 H HIS 13 2.662 15.261 1.963 91 HA HIS 13 HA HIS 13 4.832 13.826 3.286 92 HB2 HIS 13 HB2 HIS 13 2.522 12.445 1.981 93 HB3 HIS 13 HB3 HIS 13 3.415 12.000 3.432 94 HD1 HIS 13 HD1 HIS 13 2.476 12.755 5.638 95 HD2 HIS 13 HD2 HIS 13 0.604 14.558 2.397 96 HE1 HIS 13 HE1 HIS 13 0.502 13.983 6.599 97 H ARG 14 H ARG 14 4.949 11.479 1.937 98 HA ARG 14 HA ARG 14 5.164 11.669 -0.862 99 HB2 ARG 14 HB2 ARG 14 7.598 11.746 -1.121 100 HB3 ARG 14 HB3 ARG 14 6.994 13.216 -0.367 101 HG2 ARG 14 HG2 ARG 14 8.670 12.883 1.077 102 HG3 ARG 14 HG3 ARG 14 7.565 11.722 1.816 103 HD2 ARG 14 HD2 ARG 14 8.629 10.110 0.009 104 HD3 ARG 14 HD3 ARG 14 9.963 11.259 0.120 105 HE ARG 14 HE ARG 14 9.475 10.688 2.702 106 HH11 ARG 14 HH11 ARG 14 9.943 8.675 -0.099 107 HH12 ARG 14 HH12 ARG 14 10.638 7.365 0.796 108 HH21 ARG 14 HH21 ARG 14 10.389 8.971 3.892 109 HH22 ARG 14 HH22 ARG 14 10.891 7.534 3.067 110 H GLU 15 H GLU 15 5.031 9.647 -1.573 111 HA GLU 15 HA GLU 15 6.563 7.518 -0.376 112 HB2 GLU 15 HB2 GLU 15 4.630 6.098 0.147 113 HB3 GLU 15 HB3 GLU 15 4.636 7.563 1.120 114 HG2 GLU 15 HG2 GLU 15 3.146 8.013 -1.278 115 HG3 GLU 15 HG3 GLU 15 2.563 6.555 -0.478 116 H CYS 16 H CYS 16 6.267 8.840 -2.974 117 HA CYS 16 HA CYS 16 4.864 7.126 -4.757 118 HB2 CYS 16 HB2 CYS 16 7.151 8.998 -5.398 119 HB3 CYS 16 HB3 CYS 16 5.958 8.365 -6.527 120 H CYS 17 H CYS 17 5.641 5.543 -6.150 121 HA CYS 17 HA CYS 17 7.494 3.740 -5.166 122 HB2 CYS 17 HB2 CYS 17 6.449 4.183 -7.960 123 HB3 CYS 17 HB3 CYS 17 7.534 2.855 -7.563 124 H HIS 18 H HIS 18 9.500 2.996 -6.385 125 HA HIS 18 HA HIS 18 11.437 5.044 -6.283 126 HB2 HIS 18 HB2 HIS 18 12.135 2.817 -5.797 127 HB3 HIS 18 HB3 HIS 18 11.528 2.218 -7.338 128 HD1 HIS 18 HD1 HIS 18 14.383 4.142 -5.843 129 HD2 HIS 18 HD2 HIS 18 13.256 2.509 -9.493 130 HE1 HIS 18 HE1 HIS 18 16.433 4.262 -7.295 131 H GLY 19 H GLY 19 11.693 6.622 -7.716 132 HA2 GLY 19 HA2 GLY 19 12.552 7.058 -9.999 133 HA3 GLY 19 HA3 GLY 19 11.290 5.977 -10.573 134 H LEU 20 H LEU 20 9.437 7.174 -8.498 135 HA LEU 20 HA LEU 20 8.682 9.508 -10.108 136 HB2 LEU 20 HB2 LEU 20 7.044 7.906 -8.149 137 HB3 LEU 20 HB3 LEU 20 6.455 9.231 -9.151 138 HG LEU 20 HG LEU 20 7.389 6.522 -10.095 139 HD11 LEU 20 HD11 LEU 20 5.251 6.153 -9.367 140 HD12 LEU 20 HD12 LEU 20 4.738 7.811 -9.679 141 HD13 LEU 20 HD13 LEU 20 4.937 6.682 -11.019 142 HD21 LEU 20 HD21 LEU 20 7.015 9.081 -11.504 143 HD22 LEU 20 HD22 LEU 20 7.989 7.675 -11.935 144 HD23 LEU 20 HD23 LEU 20 6.254 7.678 -12.253 145 H VAL 21 H VAL 21 7.717 11.358 -8.968 146 HA VAL 21 HA VAL 21 8.530 11.687 -6.185 147 HB VAL 21 HB VAL 21 9.685 13.778 -6.575 148 HG11 VAL 21 HG11 VAL 21 10.726 11.533 -8.299 149 HG12 VAL 21 HG12 VAL 21 11.671 12.933 -7.794 150 HG13 VAL 21 HG13 VAL 21 11.061 11.800 -6.588 151 HG21 VAL 21 HG21 VAL 21 10.184 14.573 -8.836 152 HG22 VAL 21 HG22 VAL 21 9.213 13.264 -9.511 153 HG23 VAL 21 HG23 VAL 21 8.446 14.522 -8.542 154 H CYS 22 H CYS 22 7.320 13.175 -5.051 155 HA CYS 22 HA CYS 22 4.769 13.836 -6.160 156 HB2 CYS 22 HB2 CYS 22 6.036 14.599 -3.521 157 HB3 CYS 22 HB3 CYS 22 4.351 14.884 -3.947 158 H ARG 23 H ARG 23 4.672 15.398 -7.655 159 HA ARG 23 HA ARG 23 5.557 18.070 -6.897 160 HB2 ARG 23 HB2 ARG 23 6.438 16.661 -9.418 161 HB3 ARG 23 HB3 ARG 23 6.537 18.403 -9.199 162 HG2 ARG 23 HG2 ARG 23 7.838 16.483 -7.295 163 HG3 ARG 23 HG3 ARG 23 8.640 17.049 -8.762 164 HD2 ARG 23 HD2 ARG 23 7.992 19.410 -7.871 165 HD3 ARG 23 HD3 ARG 23 7.842 18.580 -6.322 166 HE ARG 23 HE ARG 23 10.263 19.250 -7.689 167 HH11 ARG 23 HH11 ARG 23 8.794 16.984 -5.493 168 HH12 ARG 23 HH12 ARG 23 10.291 16.543 -4.741 169 HH21 ARG 23 HH21 ARG 23 12.240 18.678 -6.707 170 HH22 ARG 23 HH22 ARG 23 12.251 17.508 -5.432 171 H ARG 24 H ARG 24 4.558 19.759 -8.147 172 HA ARG 24 HA ARG 24 1.854 19.135 -8.843 173 HB2 ARG 24 HB2 ARG 24 1.699 21.571 -9.358 174 HB3 ARG 24 HB3 ARG 24 2.302 21.224 -7.743 175 HG2 ARG 24 HG2 ARG 24 4.578 21.655 -8.482 176 HG3 ARG 24 HG3 ARG 24 3.998 21.960 -10.120 177 HD2 ARG 24 HD2 ARG 24 2.572 23.548 -8.165 178 HD3 ARG 24 HD3 ARG 24 4.311 23.824 -8.081 179 HE ARG 24 HE ARG 24 3.700 23.947 -10.749 180 HH11 ARG 24 HH11 ARG 24 2.653 25.608 -7.873 181 HH12 ARG 24 HH12 ARG 24 2.304 27.090 -8.699 182 HH21 ARG 24 HH21 ARG 24 3.243 25.893 -11.847 183 HH22 ARG 24 HH22 ARG 24 2.639 27.251 -10.960 184 HA PRO 25 HA PRO 25 2.171 18.548 -13.181 185 HB2 PRO 25 HB2 PRO 25 -0.166 19.635 -14.033 186 HB3 PRO 25 HB3 PRO 25 -0.082 18.097 -13.164 187 HG2 PRO 25 HG2 PRO 25 -0.752 20.825 -12.128 188 HG3 PRO 25 HG3 PRO 25 -1.529 19.271 -11.772 189 HD2 PRO 25 HD2 PRO 25 0.248 20.429 -10.090 190 HD3 PRO 25 HD3 PRO 25 0.089 18.668 -10.245 191 H ASN 26 H ASN 26 0.893 21.788 -12.394 192 HA ASN 26 HA ASN 26 1.384 23.858 -13.199 193 HB2 ASN 26 HB2 ASN 26 3.701 23.162 -12.527 194 HB3 ASN 26 HB3 ASN 26 3.964 22.626 -14.184 195 HD21 ASN 26 HD21 ASN 26 5.531 24.055 -14.722 196 HD22 ASN 26 HD22 ASN 26 5.285 25.763 -14.822 197 H TYR 27 H TYR 27 -0.122 22.078 -14.829 198 HA TYR 27 HA TYR 27 0.798 22.420 -17.552 199 HB2 TYR 27 HB2 TYR 27 -0.361 20.359 -16.938 200 HB3 TYR 27 HB3 TYR 27 -1.782 21.280 -16.456 201 HD1 TYR 27 HD1 TYR 27 -3.528 21.346 -17.955 202 HD2 TYR 27 HD2 TYR 27 0.432 20.916 -19.452 203 HE1 TYR 27 HE1 TYR 27 -4.417 21.178 -20.242 204 HE2 TYR 27 HE2 TYR 27 -0.447 20.748 -21.743 205 HH TYR 27 HH TYR 27 -2.524 21.485 -22.978 206 H GLY 28 H GLY 28 -1.727 23.719 -15.446 207 HA2 GLY 28 HA2 GLY 28 -1.914 26.247 -16.128 208 HA3 GLY 28 HA3 GLY 28 -2.604 25.529 -17.576 209 H ASN 29 H ASN 29 -2.996 24.469 -14.222 210 HA ASN 29 HA ASN 29 -5.864 24.426 -14.562 211 HB2 ASN 29 HB2 ASN 29 -3.954 23.509 -12.448 212 HB3 ASN 29 HB3 ASN 29 -5.655 23.708 -12.036 213 HD21 ASN 29 HD21 ASN 29 -3.921 21.314 -12.256 214 HD22 ASN 29 HD22 ASN 29 -4.752 20.254 -13.338 215 H GLY 30 H GLY 30 -7.263 25.309 -12.760 216 HA2 GLY 30 HA2 GLY 30 -6.490 28.097 -12.316 217 HA3 GLY 30 HA3 GLY 30 -8.115 27.440 -12.188 218 H ARG 31 H ARG 31 -8.890 27.293 -10.199 219 HA ARG 31 HA ARG 31 -7.126 27.619 -7.934 220 HB2 ARG 31 HB2 ARG 31 -9.497 28.634 -8.288 221 HB3 ARG 31 HB3 ARG 31 -10.068 27.070 -7.723 222 HG2 ARG 31 HG2 ARG 31 -8.036 28.518 -6.104 223 HG3 ARG 31 HG3 ARG 31 -9.714 29.064 -6.063 224 HD2 ARG 31 HD2 ARG 31 -8.940 26.195 -5.613 225 HD3 ARG 31 HD3 ARG 31 -9.002 27.371 -4.301 226 HE ARG 31 HE ARG 31 -11.430 27.529 -5.618 227 HH11 ARG 31 HH11 ARG 31 -9.616 25.138 -3.852 228 HH12 ARG 31 HH12 ARG 31 -11.023 24.303 -3.281 229 HH21 ARG 31 HH21 ARG 31 -13.290 26.438 -4.873 230 HH22 ARG 31 HH22 ARG 31 -13.112 25.043 -3.863 231 H GLY 32 H GLY 32 -6.298 26.029 -6.746 232 HA2 GLY 32 HA2 GLY 32 -6.631 24.005 -5.459 233 HA3 GLY 32 HA3 GLY 32 -7.665 23.416 -6.752 234 H ILE 33 H ILE 33 -4.326 24.194 -5.909 235 HA ILE 33 HA ILE 33 -3.286 22.834 -8.238 236 HB ILE 33 HB ILE 33 -1.573 23.606 -5.912 237 HG12 ILE 33 HG12 ILE 33 -1.529 25.855 -7.460 238 HG13 ILE 33 HG13 ILE 33 -3.230 25.412 -7.548 239 HG21 ILE 33 HG21 ILE 33 -0.418 22.541 -7.678 240 HG22 ILE 33 HG22 ILE 33 -1.243 23.511 -8.899 241 HG23 ILE 33 HG23 ILE 33 -0.061 24.262 -7.828 242 HD11 ILE 33 HD11 ILE 33 -2.252 25.249 -4.843 243 HD12 ILE 33 HD12 ILE 33 -1.973 26.846 -5.537 244 HD13 ILE 33 HD13 ILE 33 -3.602 26.171 -5.503 245 H LEU 34 H LEU 34 -3.614 20.679 -8.211 246 HA LEU 34 HA LEU 34 -3.093 19.175 -5.760 247 HB2 LEU 34 HB2 LEU 34 -3.970 17.920 -8.322 248 HB3 LEU 34 HB3 LEU 34 -4.315 17.435 -6.662 249 HG LEU 34 HG LEU 34 -5.583 19.683 -8.219 250 HD11 LEU 34 HD11 LEU 34 -6.744 17.813 -8.833 251 HD12 LEU 34 HD12 LEU 34 -6.417 16.973 -7.317 252 HD13 LEU 34 HD13 LEU 34 -7.624 18.258 -7.371 253 HD21 LEU 34 HD21 LEU 34 -7.002 19.759 -6.028 254 HD22 LEU 34 HD22 LEU 34 -5.544 19.093 -5.293 255 HD23 LEU 34 HD23 LEU 34 -5.480 20.644 -6.129 256 H TRP 35 H TRP 35 -1.346 17.932 -5.463 257 HA TRP 35 HA TRP 35 0.663 17.884 -7.585 258 HB2 TRP 35 HB2 TRP 35 0.790 17.336 -4.621 259 HB3 TRP 35 HB3 TRP 35 2.136 16.991 -5.704 260 HD1 TRP 35 HD1 TRP 35 -0.082 20.154 -5.826 261 HE1 TRP 35 HE1 TRP 35 1.430 22.204 -5.458 262 HE3 TRP 35 HE3 TRP 35 4.324 17.749 -4.855 263 HZ2 TRP 35 HZ2 TRP 35 4.133 22.732 -4.839 264 HZ3 TRP 35 HZ3 TRP 35 6.326 19.101 -4.385 265 HH2 TRP 35 HH2 TRP 35 6.231 21.540 -4.379 266 H LYS 36 H LYS 36 1.558 16.013 -8.402 267 HA LYS 36 HA LYS 36 0.432 13.458 -7.506 268 HB2 LYS 36 HB2 LYS 36 -0.132 12.757 -9.706 269 HB3 LYS 36 HB3 LYS 36 -0.838 14.354 -9.498 270 HG2 LYS 36 HG2 LYS 36 1.240 15.254 -10.650 271 HG3 LYS 36 HG3 LYS 36 1.581 13.580 -11.095 272 HD2 LYS 36 HD2 LYS 36 -0.298 13.428 -12.455 273 HD3 LYS 36 HD3 LYS 36 -1.102 14.785 -11.662 274 HE2 LYS 36 HE2 LYS 36 -0.440 15.714 -13.672 275 HE3 LYS 36 HE3 LYS 36 0.880 16.174 -12.597 276 HZ1 LYS 36 HZ1 LYS 36 1.269 13.631 -13.888 277 HZ2 LYS 36 HZ2 LYS 36 1.171 14.925 -14.973 278 HZ3 LYS 36 HZ3 LYS 36 2.328 14.943 -13.739 279 H CYS 37 H CYS 37 1.691 11.601 -8.106 280 HA CYS 37 HA CYS 37 4.488 12.058 -7.919 281 HB2 CYS 37 HB2 CYS 37 2.936 9.531 -8.517 282 HB3 CYS 37 HB3 CYS 37 4.663 9.586 -8.178 283 H VAL 38 H VAL 38 5.620 12.872 -9.559 284 HA VAL 38 HA VAL 38 4.996 12.005 -12.296 285 HB VAL 38 HB VAL 38 6.460 13.926 -12.981 286 HG11 VAL 38 HG11 VAL 38 3.970 14.393 -11.363 287 HG12 VAL 38 HG12 VAL 38 4.769 15.681 -12.265 288 HG13 VAL 38 HG13 VAL 38 4.133 14.272 -13.115 289 HG21 VAL 38 HG21 VAL 38 7.735 14.089 -10.881 290 HG22 VAL 38 HG22 VAL 38 7.008 15.628 -11.342 291 HG23 VAL 38 HG23 VAL 38 6.282 14.658 -10.060 292 H ARG 39 H ARG 39 6.739 11.486 -13.745 293 HA ARG 39 HA ARG 39 8.688 9.784 -12.534 294 HB2 ARG 39 HB2 ARG 39 9.474 9.480 -14.909 295 HB3 ARG 39 HB3 ARG 39 7.784 9.087 -14.625 296 HG2 ARG 39 HG2 ARG 39 8.130 11.854 -15.400 297 HG3 ARG 39 HG3 ARG 39 8.789 10.738 -16.598 298 HD2 ARG 39 HD2 ARG 39 6.092 10.209 -15.441 299 HD3 ARG 39 HD3 ARG 39 6.267 11.458 -16.673 300 HE ARG 39 HE ARG 39 7.485 8.976 -17.418 301 HH11 ARG 39 HH11 ARG 39 4.487 10.742 -17.300 302 HH12 ARG 39 HH12 ARG 39 3.762 9.854 -18.599 303 HH21 ARG 39 HH21 ARG 39 6.541 7.799 -19.129 304 HH22 ARG 39 HH22 ARG 39 4.931 8.179 -19.638 305 H ALA 40 H ALA 40 10.131 10.950 -11.323 306 HA ALA 40 HA ALA 40 11.340 13.369 -12.098 307 HB1 ALA 40 HB1 ALA 40 13.153 12.389 -10.382 308 HB2 ALA 40 HB2 ALA 40 11.623 13.102 -9.871 309 HB3 ALA 40 HB3 ALA 40 11.784 11.350 -9.989 Start of MODEL 7 1 H1 GLY 1 H GLY 1 5.569 0.422 1.289 2 HA2 GLY 1 HA2 GLY 1 3.501 -0.254 -0.700 3 HA3 GLY 1 HA3 GLY 1 3.051 0.484 0.831 4 H CYS 2 H CYS 2 3.701 1.095 -2.350 5 HA CYS 2 HA CYS 2 4.038 3.952 -1.793 6 HB2 CYS 2 HB2 CYS 2 5.654 4.139 -3.673 7 HB3 CYS 2 HB3 CYS 2 6.272 3.187 -2.327 8 H LYS 3 H LYS 3 3.528 5.305 -3.715 9 HA LYS 3 HA LYS 3 1.221 4.169 -5.105 10 HB2 LYS 3 HB2 LYS 3 2.100 7.052 -5.144 11 HB3 LYS 3 HB3 LYS 3 0.506 6.400 -5.498 12 HG2 LYS 3 HG2 LYS 3 0.618 5.582 -3.016 13 HG3 LYS 3 HG3 LYS 3 1.827 6.859 -2.869 14 HD2 LYS 3 HD2 LYS 3 -0.233 7.855 -2.289 15 HD3 LYS 3 HD3 LYS 3 0.118 8.405 -3.929 16 HE2 LYS 3 HE2 LYS 3 -2.104 7.808 -4.097 17 HE3 LYS 3 HE3 LYS 3 -1.296 6.335 -4.632 18 HZ1 LYS 3 HZ1 LYS 3 -1.701 5.299 -2.585 19 HZ2 LYS 3 HZ2 LYS 3 -2.121 6.748 -1.819 20 HZ3 LYS 3 HZ3 LYS 3 -3.158 6.067 -2.970 21 H ASN 4 H ASN 4 0.921 4.426 -7.369 22 HA ASN 4 HA ASN 4 3.378 4.136 -8.861 23 HB2 ASN 4 HB2 ASN 4 1.026 2.906 -9.126 24 HB3 ASN 4 HB3 ASN 4 0.735 4.244 -10.234 25 HD21 ASN 4 HD21 ASN 4 3.494 2.144 -9.462 26 HD22 ASN 4 HD22 ASN 4 3.833 1.706 -11.099 27 H LEU 5 H LEU 5 2.803 5.169 -11.316 28 HA LEU 5 HA LEU 5 3.470 7.904 -10.986 29 HB2 LEU 5 HB2 LEU 5 4.193 6.468 -12.881 30 HB3 LEU 5 HB3 LEU 5 2.538 6.502 -13.487 31 HG LEU 5 HG LEU 5 2.760 8.986 -13.709 32 HD11 LEU 5 HD11 LEU 5 4.740 9.002 -12.060 33 HD12 LEU 5 HD12 LEU 5 5.716 8.578 -13.466 34 HD13 LEU 5 HD13 LEU 5 4.792 10.080 -13.455 35 HD21 LEU 5 HD21 LEU 5 3.350 7.070 -15.461 36 HD22 LEU 5 HD22 LEU 5 3.544 8.784 -15.831 37 HD23 LEU 5 HD23 LEU 5 4.941 7.824 -15.345 38 H ASN 6 H ASN 6 2.301 9.754 -11.747 39 HA ASN 6 HA ASN 6 0.481 11.121 -11.755 40 HB2 ASN 6 HB2 ASN 6 -1.165 8.863 -12.854 41 HB3 ASN 6 HB3 ASN 6 -1.226 10.577 -13.254 42 HD21 ASN 6 HD21 ASN 6 -0.446 7.696 -14.463 43 HD22 ASN 6 HD22 ASN 6 0.792 8.144 -15.582 44 H SER 7 H SER 7 0.932 9.182 -9.487 45 HA SER 7 HA SER 7 -1.702 8.594 -8.481 46 HB2 SER 7 HB2 SER 7 1.087 8.291 -7.396 47 HB3 SER 7 HB3 SER 7 -0.314 8.066 -6.349 48 HG SER 7 HG SER 7 -1.032 6.573 -8.120 49 H HIS 8 H HIS 8 -2.825 9.650 -6.897 50 HA HIS 8 HA HIS 8 -2.420 12.429 -6.613 51 HB2 HIS 8 HB2 HIS 8 -4.245 12.271 -4.902 52 HB3 HIS 8 HB3 HIS 8 -4.649 11.544 -6.455 53 HD1 HIS 8 HD1 HIS 8 -4.090 10.725 -2.871 54 HD2 HIS 8 HD2 HIS 8 -4.889 8.730 -6.426 55 HE1 HIS 8 HE1 HIS 8 -4.752 8.394 -2.199 56 H CYS 9 H CYS 9 -0.919 13.398 -5.433 57 HA CYS 9 HA CYS 9 -0.396 12.462 -2.721 58 HB2 CYS 9 HB2 CYS 9 1.410 11.347 -3.631 59 HB3 CYS 9 HB3 CYS 9 1.602 12.509 -4.940 60 H TYR 10 H TYR 10 -0.022 14.087 -1.309 61 HA TYR 10 HA TYR 10 -0.386 16.785 -2.250 62 HB2 TYR 10 HB2 TYR 10 0.266 16.010 0.583 63 HB3 TYR 10 HB3 TYR 10 -0.667 17.388 0.009 64 HD1 TYR 10 HD1 TYR 10 -2.480 15.977 -1.914 65 HD2 TYR 10 HD2 TYR 10 -1.256 14.963 2.033 66 HE1 TYR 10 HE1 TYR 10 -4.560 14.701 -1.603 67 HE2 TYR 10 HE2 TYR 10 -3.332 13.683 2.354 68 HH TYR 10 HH TYR 10 -5.121 12.779 1.295 69 H ARG 11 H ARG 11 1.038 18.547 -1.787 70 HA ARG 11 HA ARG 11 3.742 18.003 -2.414 71 HB2 ARG 11 HB2 ARG 11 4.097 20.399 -2.150 72 HB3 ARG 11 HB3 ARG 11 2.616 20.095 -3.048 73 HG2 ARG 11 HG2 ARG 11 2.306 20.386 -0.135 74 HG3 ARG 11 HG3 ARG 11 2.808 21.834 -1.010 75 HD2 ARG 11 HD2 ARG 11 0.854 21.060 -2.633 76 HD3 ARG 11 HD3 ARG 11 0.267 20.305 -1.152 77 HE ARG 11 HE ARG 11 0.200 23.069 -1.788 78 HH11 ARG 11 HH11 ARG 11 0.643 20.853 0.860 79 HH12 ARG 11 HH12 ARG 11 0.076 21.968 2.059 80 HH21 ARG 11 HH21 ARG 11 -0.548 24.546 -0.220 81 HH22 ARG 11 HH22 ARG 11 -0.602 24.068 1.443 82 H GLN 12 H GLN 12 2.112 17.686 0.463 83 HA GLN 12 HA GLN 12 4.173 18.587 2.250 84 HB2 GLN 12 HB2 GLN 12 1.545 17.212 2.526 85 HB3 GLN 12 HB3 GLN 12 2.695 17.053 3.847 86 HG2 GLN 12 HG2 GLN 12 2.814 19.699 3.488 87 HG3 GLN 12 HG3 GLN 12 1.169 19.404 2.930 88 HE21 GLN 12 HE21 GLN 12 1.924 20.890 5.231 89 HE22 GLN 12 HE22 GLN 12 1.270 20.082 6.611 90 H HIS 13 H HIS 13 2.813 15.339 1.660 91 HA HIS 13 HA HIS 13 5.344 14.172 2.549 92 HB2 HIS 13 HB2 HIS 13 2.984 12.501 1.802 93 HB3 HIS 13 HB3 HIS 13 4.186 12.242 3.064 94 HD1 HIS 13 HD1 HIS 13 3.598 13.007 5.381 95 HD2 HIS 13 HD2 HIS 13 0.966 14.446 2.507 96 HE1 HIS 13 HE1 HIS 13 1.723 14.083 6.665 97 H ARG 14 H ARG 14 5.375 11.782 1.246 98 HA ARG 14 HA ARG 14 5.080 12.097 -1.588 99 HB2 ARG 14 HB2 ARG 14 7.566 11.767 -2.018 100 HB3 ARG 14 HB3 ARG 14 7.067 13.371 -1.497 101 HG2 ARG 14 HG2 ARG 14 8.056 13.162 0.563 102 HG3 ARG 14 HG3 ARG 14 7.966 11.399 0.546 103 HD2 ARG 14 HD2 ARG 14 10.253 11.985 0.269 104 HD3 ARG 14 HD3 ARG 14 9.667 11.429 -1.298 105 HE ARG 14 HE ARG 14 9.332 14.146 -1.341 106 HH11 ARG 14 HH11 ARG 14 12.008 11.976 -0.844 107 HH12 ARG 14 HH12 ARG 14 13.184 13.068 -1.498 108 HH21 ARG 14 HH21 ARG 14 10.870 15.592 -2.204 109 HH22 ARG 14 HH22 ARG 14 12.535 15.125 -2.270 110 H GLU 15 H GLU 15 3.836 10.179 -0.908 111 HA GLU 15 HA GLU 15 5.383 7.823 -0.204 112 HB2 GLU 15 HB2 GLU 15 3.159 6.691 -0.198 113 HB3 GLU 15 HB3 GLU 15 3.267 8.057 0.904 114 HG2 GLU 15 HG2 GLU 15 2.321 8.944 -1.648 115 HG3 GLU 15 HG3 GLU 15 1.346 7.590 -1.081 116 H CYS 16 H CYS 16 5.847 9.097 -2.778 117 HA CYS 16 HA CYS 16 4.636 7.398 -4.772 118 HB2 CYS 16 HB2 CYS 16 6.934 9.338 -5.088 119 HB3 CYS 16 HB3 CYS 16 5.946 8.655 -6.375 120 H CYS 17 H CYS 17 5.584 5.739 -5.891 121 HA CYS 17 HA CYS 17 7.441 4.121 -4.601 122 HB2 CYS 17 HB2 CYS 17 6.507 4.233 -7.463 123 HB3 CYS 17 HB3 CYS 17 7.672 3.031 -6.917 124 H HIS 18 H HIS 18 9.536 3.354 -5.689 125 HA HIS 18 HA HIS 18 11.384 5.484 -5.650 126 HB2 HIS 18 HB2 HIS 18 12.066 3.260 -4.987 127 HB3 HIS 18 HB3 HIS 18 11.689 2.624 -6.585 128 HD1 HIS 18 HD1 HIS 18 13.840 2.052 -7.653 129 HD2 HIS 18 HD2 HIS 18 14.045 5.664 -5.611 130 HE1 HIS 18 HE1 HIS 18 16.145 2.951 -8.106 131 H GLY 19 H GLY 19 11.900 6.889 -7.187 132 HA2 GLY 19 HA2 GLY 19 12.763 7.217 -9.448 133 HA3 GLY 19 HA3 GLY 19 11.558 6.064 -10.002 134 H LEU 20 H LEU 20 9.581 7.360 -8.104 135 HA LEU 20 HA LEU 20 8.839 9.539 -9.923 136 HB2 LEU 20 HB2 LEU 20 7.156 8.089 -7.886 137 HB3 LEU 20 HB3 LEU 20 6.585 9.280 -9.053 138 HG LEU 20 HG LEU 20 7.598 6.500 -9.631 139 HD11 LEU 20 HD11 LEU 20 4.936 7.804 -9.502 140 HD12 LEU 20 HD12 LEU 20 5.204 6.593 -10.756 141 HD13 LEU 20 HD13 LEU 20 5.422 6.168 -9.059 142 HD21 LEU 20 HD21 LEU 20 8.361 7.499 -11.518 143 HD22 LEU 20 HD22 LEU 20 6.670 7.332 -11.991 144 HD23 LEU 20 HD23 LEU 20 7.263 8.872 -11.370 145 H VAL 21 H VAL 21 7.787 11.450 -8.975 146 HA VAL 21 HA VAL 21 8.502 12.031 -6.204 147 HB VAL 21 HB VAL 21 9.592 14.129 -6.744 148 HG11 VAL 21 HG11 VAL 21 11.645 13.238 -7.843 149 HG12 VAL 21 HG12 VAL 21 11.051 12.242 -6.514 150 HG13 VAL 21 HG13 VAL 21 10.760 11.751 -8.182 151 HG21 VAL 21 HG21 VAL 21 8.397 14.627 -8.819 152 HG22 VAL 21 HG22 VAL 21 10.142 14.738 -9.044 153 HG23 VAL 21 HG23 VAL 21 9.265 13.327 -9.635 154 H CYS 22 H CYS 22 7.241 13.607 -5.238 155 HA CYS 22 HA CYS 22 4.687 14.066 -6.443 156 HB2 CYS 22 HB2 CYS 22 5.469 13.839 -3.888 157 HB3 CYS 22 HB3 CYS 22 5.487 15.594 -4.023 158 H ARG 23 H ARG 23 4.452 15.511 -8.019 159 HA ARG 23 HA ARG 23 5.357 18.244 -7.555 160 HB2 ARG 23 HB2 ARG 23 6.973 16.728 -9.044 161 HB3 ARG 23 HB3 ARG 23 5.823 17.182 -10.295 162 HG2 ARG 23 HG2 ARG 23 7.384 18.842 -10.503 163 HG3 ARG 23 HG3 ARG 23 6.237 19.596 -9.393 164 HD2 ARG 23 HD2 ARG 23 7.619 19.163 -7.523 165 HD3 ARG 23 HD3 ARG 23 8.641 18.060 -8.444 166 HE ARG 23 HE ARG 23 8.834 20.507 -9.700 167 HH11 ARG 23 HH11 ARG 23 9.514 19.210 -6.542 168 HH12 ARG 23 HH12 ARG 23 10.809 20.315 -6.223 169 HH21 ARG 23 HH21 ARG 23 10.538 21.968 -9.292 170 HH22 ARG 23 HH22 ARG 23 11.390 21.884 -7.788 171 H ARG 24 H ARG 24 4.225 19.817 -8.790 172 HA ARG 24 HA ARG 24 1.512 19.089 -9.332 173 HB2 ARG 24 HB2 ARG 24 1.267 21.497 -9.951 174 HB3 ARG 24 HB3 ARG 24 1.940 21.236 -8.347 175 HG2 ARG 24 HG2 ARG 24 4.171 21.700 -9.181 176 HG3 ARG 24 HG3 ARG 24 3.532 21.902 -10.814 177 HD2 ARG 24 HD2 ARG 24 1.975 23.604 -9.307 178 HD3 ARG 24 HD3 ARG 24 3.571 23.763 -8.574 179 HE ARG 24 HE ARG 24 4.278 24.862 -10.450 180 HH11 ARG 24 HH11 ARG 24 1.317 23.179 -11.172 181 HH12 ARG 24 HH12 ARG 24 1.146 23.886 -12.744 182 HH21 ARG 24 HH21 ARG 24 4.063 25.800 -12.518 183 HH22 ARG 24 HH22 ARG 24 2.709 25.377 -13.509 184 HA PRO 25 HA PRO 25 1.650 18.316 -13.650 185 HB2 PRO 25 HB2 PRO 25 -0.758 19.294 -14.437 186 HB3 PRO 25 HB3 PRO 25 -0.584 17.800 -13.508 187 HG2 PRO 25 HG2 PRO 25 -1.293 20.550 -12.559 188 HG3 PRO 25 HG3 PRO 25 -2.003 18.991 -12.101 189 HD2 PRO 25 HD2 PRO 25 -0.188 20.276 -10.556 190 HD3 PRO 25 HD3 PRO 25 -0.298 18.505 -10.627 191 H ASN 26 H ASN 26 1.589 19.336 -15.784 192 HA ASN 26 HA ASN 26 2.763 21.968 -15.703 193 HB2 ASN 26 HB2 ASN 26 3.324 19.903 -17.255 194 HB3 ASN 26 HB3 ASN 26 2.070 20.605 -18.272 195 HD21 ASN 26 HD21 ASN 26 3.780 20.890 -19.821 196 HD22 ASN 26 HD22 ASN 26 4.821 22.264 -19.703 197 H TYR 27 H TYR 27 1.950 23.846 -16.589 198 HA TYR 27 HA TYR 27 0.349 25.391 -17.070 199 HB2 TYR 27 HB2 TYR 27 0.398 24.326 -19.254 200 HB3 TYR 27 HB3 TYR 27 -0.727 23.088 -18.709 201 HD1 TYR 27 HD1 TYR 27 -2.866 23.324 -19.515 202 HD2 TYR 27 HD2 TYR 27 -0.597 26.831 -18.705 203 HE1 TYR 27 HE1 TYR 27 -4.757 24.711 -20.256 204 HE2 TYR 27 HE2 TYR 27 -2.483 28.228 -19.442 205 HH TYR 27 HH TYR 27 -5.522 26.768 -20.567 206 H GLY 28 H GLY 28 -0.297 25.261 -14.794 207 HA2 GLY 28 HA2 GLY 28 -3.074 25.165 -14.478 208 HA3 GLY 28 HA3 GLY 28 -2.425 23.638 -13.899 209 H ASN 29 H ASN 29 -3.481 26.490 -12.846 210 HA ASN 29 HA ASN 29 -2.226 26.223 -10.297 211 HB2 ASN 29 HB2 ASN 29 -1.371 28.676 -10.386 212 HB3 ASN 29 HB3 ASN 29 -0.378 27.405 -11.096 213 HD21 ASN 29 HD21 ASN 29 -0.109 27.315 -13.299 214 HD22 ASN 29 HD22 ASN 29 -0.592 28.595 -14.354 215 H GLY 30 H GLY 30 -3.548 26.983 -8.747 216 HA2 GLY 30 HA2 GLY 30 -4.993 28.784 -7.939 217 HA3 GLY 30 HA3 GLY 30 -5.657 28.883 -9.564 218 H ARG 31 H ARG 31 -7.084 27.248 -10.291 219 HA ARG 31 HA ARG 31 -8.648 26.099 -8.141 220 HB2 ARG 31 HB2 ARG 31 -9.832 27.195 -9.949 221 HB3 ARG 31 HB3 ARG 31 -9.064 26.146 -11.133 222 HG2 ARG 31 HG2 ARG 31 -10.198 24.209 -10.047 223 HG3 ARG 31 HG3 ARG 31 -11.074 25.362 -9.037 224 HD2 ARG 31 HD2 ARG 31 -11.100 25.472 -12.044 225 HD3 ARG 31 HD3 ARG 31 -12.273 24.542 -11.112 226 HE ARG 31 HE ARG 31 -12.254 27.362 -11.505 227 HH11 ARG 31 HH11 ARG 31 -13.079 24.867 -9.221 228 HH12 ARG 31 HH12 ARG 31 -14.297 25.812 -8.431 229 HH21 ARG 31 HH21 ARG 31 -13.856 28.616 -10.473 230 HH22 ARG 31 HH22 ARG 31 -14.739 27.944 -9.145 231 H GLY 32 H GLY 32 -8.499 24.067 -7.451 232 HA2 GLY 32 HA2 GLY 32 -7.987 21.830 -7.364 233 HA3 GLY 32 HA3 GLY 32 -8.079 21.830 -9.119 234 H ILE 33 H ILE 33 -5.907 23.002 -6.544 235 HA ILE 33 HA ILE 33 -3.613 22.523 -8.278 236 HB ILE 33 HB ILE 33 -3.559 23.581 -5.456 237 HG12 ILE 33 HG12 ILE 33 -3.827 25.114 -8.051 238 HG13 ILE 33 HG13 ILE 33 -5.044 24.995 -6.785 239 HG21 ILE 33 HG21 ILE 33 -1.589 24.510 -7.400 240 HG22 ILE 33 HG22 ILE 33 -1.367 23.914 -5.756 241 HG23 ILE 33 HG23 ILE 33 -1.522 22.775 -7.093 242 HD11 ILE 33 HD11 ILE 33 -2.621 26.654 -6.935 243 HD12 ILE 33 HD12 ILE 33 -4.182 26.978 -6.181 244 HD13 ILE 33 HD13 ILE 33 -2.997 25.966 -5.355 245 H LEU 34 H LEU 34 -4.284 20.140 -8.098 246 HA LEU 34 HA LEU 34 -3.291 18.889 -5.647 247 HB2 LEU 34 HB2 LEU 34 -4.442 17.410 -7.981 248 HB3 LEU 34 HB3 LEU 34 -4.409 16.946 -6.281 249 HG LEU 34 HG LEU 34 -6.176 19.031 -7.558 250 HD11 LEU 34 HD11 LEU 34 -6.471 16.204 -6.887 251 HD12 LEU 34 HD12 LEU 34 -7.753 17.229 -6.242 252 HD13 LEU 34 HD13 LEU 34 -7.418 17.220 -7.973 253 HD21 LEU 34 HD21 LEU 34 -5.991 18.197 -4.664 254 HD22 LEU 34 HD22 LEU 34 -5.444 19.737 -5.327 255 HD23 LEU 34 HD23 LEU 34 -7.158 19.326 -5.354 256 H TRP 35 H TRP 35 -1.439 17.754 -5.544 257 HA TRP 35 HA TRP 35 0.285 17.795 -7.899 258 HB2 TRP 35 HB2 TRP 35 0.800 17.319 -4.967 259 HB3 TRP 35 HB3 TRP 35 2.027 17.012 -6.193 260 HD1 TRP 35 HD1 TRP 35 -0.336 20.050 -6.280 261 HE1 TRP 35 HE1 TRP 35 1.086 22.186 -6.079 262 HE3 TRP 35 HE3 TRP 35 4.224 17.910 -5.409 263 HZ2 TRP 35 HZ2 TRP 35 3.784 22.872 -5.614 264 HZ3 TRP 35 HZ3 TRP 35 6.175 19.376 -5.098 265 HH2 TRP 35 HH2 TRP 35 5.958 21.806 -5.199 266 H LYS 36 H LYS 36 1.281 15.966 -8.750 267 HA LYS 36 HA LYS 36 0.257 13.373 -7.810 268 HB2 LYS 36 HB2 LYS 36 -0.019 12.627 -10.104 269 HB3 LYS 36 HB3 LYS 36 -0.971 14.080 -9.832 270 HG2 LYS 36 HG2 LYS 36 0.657 15.425 -10.982 271 HG3 LYS 36 HG3 LYS 36 1.739 14.040 -11.142 272 HD2 LYS 36 HD2 LYS 36 0.753 14.021 -13.209 273 HD3 LYS 36 HD3 LYS 36 -0.358 12.969 -12.328 274 HE2 LYS 36 HE2 LYS 36 -0.872 15.905 -12.372 275 HE3 LYS 36 HE3 LYS 36 -1.248 14.954 -13.808 276 HZ1 LYS 36 HZ1 LYS 36 -2.491 14.894 -11.160 277 HZ2 LYS 36 HZ2 LYS 36 -3.204 14.782 -12.690 278 HZ3 LYS 36 HZ3 LYS 36 -2.414 13.442 -12.026 279 H CYS 37 H CYS 37 1.584 11.528 -8.444 280 HA CYS 37 HA CYS 37 4.369 12.091 -8.084 281 HB2 CYS 37 HB2 CYS 37 2.934 9.486 -8.637 282 HB3 CYS 37 HB3 CYS 37 4.633 9.627 -8.195 283 H VAL 38 H VAL 38 5.600 12.795 -9.696 284 HA VAL 38 HA VAL 38 5.072 11.834 -12.422 285 HB VAL 38 HB VAL 38 6.525 13.727 -13.145 286 HG11 VAL 38 HG11 VAL 38 4.180 14.062 -13.258 287 HG12 VAL 38 HG12 VAL 38 4.064 14.319 -11.517 288 HG13 VAL 38 HG13 VAL 38 4.862 15.518 -12.534 289 HG21 VAL 38 HG21 VAL 38 7.776 14.837 -11.684 290 HG22 VAL 38 HG22 VAL 38 6.336 15.322 -10.789 291 HG23 VAL 38 HG23 VAL 38 7.155 13.811 -10.391 292 H ARG 39 H ARG 39 6.875 11.271 -13.785 293 HA ARG 39 HA ARG 39 8.788 9.634 -12.418 294 HB2 ARG 39 HB2 ARG 39 9.631 9.186 -14.749 295 HB3 ARG 39 HB3 ARG 39 7.936 8.802 -14.481 296 HG2 ARG 39 HG2 ARG 39 7.245 10.277 -16.005 297 HG3 ARG 39 HG3 ARG 39 8.366 11.519 -15.444 298 HD2 ARG 39 HD2 ARG 39 10.068 10.795 -16.830 299 HD3 ARG 39 HD3 ARG 39 9.402 9.169 -16.967 300 HE ARG 39 HE ARG 39 8.865 11.367 -18.674 301 HH11 ARG 39 HH11 ARG 39 7.369 8.588 -17.205 302 HH12 ARG 39 HH12 ARG 39 6.183 8.403 -18.454 303 HH21 ARG 39 HH21 ARG 39 7.309 11.134 -20.326 304 HH22 ARG 39 HH22 ARG 39 6.150 9.851 -20.229 305 H ALA 40 H ALA 40 10.190 10.890 -11.247 306 HA ALA 40 HA ALA 40 11.410 13.259 -12.151 307 HB1 ALA 40 HB1 ALA 40 13.181 12.361 -10.322 308 HB2 ALA 40 HB2 ALA 40 11.670 13.175 -9.916 309 HB3 ALA 40 HB3 ALA 40 11.759 11.414 -9.886 Start of MODEL 8 1 H1 GLY 1 H GLY 1 0.872 0.970 0.597 2 HA2 GLY 1 HA2 GLY 1 2.721 -0.226 -0.832 3 HA3 GLY 1 HA3 GLY 1 1.359 -0.447 -1.920 4 H CYS 2 H CYS 2 3.826 1.026 -2.373 5 HA CYS 2 HA CYS 2 3.489 3.796 -2.147 6 HB2 CYS 2 HB2 CYS 2 5.171 3.947 -3.966 7 HB3 CYS 2 HB3 CYS 2 5.648 2.833 -2.689 8 H LYS 3 H LYS 3 3.059 5.350 -3.867 9 HA LYS 3 HA LYS 3 0.717 4.558 -5.399 10 HB2 LYS 3 HB2 LYS 3 1.952 7.305 -5.181 11 HB3 LYS 3 HB3 LYS 3 0.327 6.907 -5.722 12 HG2 LYS 3 HG2 LYS 3 0.945 5.951 -3.031 13 HG3 LYS 3 HG3 LYS 3 1.000 7.706 -3.207 14 HD2 LYS 3 HD2 LYS 3 -1.305 6.264 -4.404 15 HD3 LYS 3 HD3 LYS 3 -1.251 6.412 -2.646 16 HE2 LYS 3 HE2 LYS 3 -0.873 8.777 -4.461 17 HE3 LYS 3 HE3 LYS 3 -2.472 8.239 -3.949 18 HZ1 LYS 3 HZ1 LYS 3 -1.024 10.004 -2.599 19 HZ2 LYS 3 HZ2 LYS 3 -2.151 8.980 -1.862 20 HZ3 LYS 3 HZ3 LYS 3 -0.506 8.585 -1.837 21 H ASN 4 H ASN 4 0.483 4.968 -7.646 22 HA ASN 4 HA ASN 4 2.911 4.485 -9.134 23 HB2 ASN 4 HB2 ASN 4 0.438 3.552 -9.488 24 HB3 ASN 4 HB3 ASN 4 0.319 4.975 -10.518 25 HD21 ASN 4 HD21 ASN 4 0.102 3.650 -12.339 26 HD22 ASN 4 HD22 ASN 4 1.459 2.833 -13.030 27 H LEU 5 H LEU 5 2.487 5.716 -11.530 28 HA LEU 5 HA LEU 5 3.466 8.329 -11.042 29 HB2 LEU 5 HB2 LEU 5 3.993 6.890 -13.023 30 HB3 LEU 5 HB3 LEU 5 2.377 7.243 -13.632 31 HG LEU 5 HG LEU 5 3.021 9.673 -13.642 32 HD11 LEU 5 HD11 LEU 5 5.866 8.778 -13.537 33 HD12 LEU 5 HD12 LEU 5 5.180 10.382 -13.277 34 HD13 LEU 5 HD13 LEU 5 5.004 9.136 -12.041 35 HD21 LEU 5 HD21 LEU 5 4.930 8.210 -15.396 36 HD22 LEU 5 HD22 LEU 5 3.204 7.891 -15.570 37 HD23 LEU 5 HD23 LEU 5 3.824 9.529 -15.780 38 H ASN 6 H ASN 6 2.528 10.344 -11.728 39 HA ASN 6 HA ASN 6 0.883 11.915 -11.643 40 HB2 ASN 6 HB2 ASN 6 -0.994 9.924 -12.884 41 HB3 ASN 6 HB3 ASN 6 -0.877 11.659 -13.165 42 HD21 ASN 6 HD21 ASN 6 -0.339 8.765 -14.525 43 HD22 ASN 6 HD22 ASN 6 0.926 9.173 -15.629 44 H SER 7 H SER 7 1.088 9.827 -9.485 45 HA SER 7 HA SER 7 -1.602 9.472 -8.522 46 HB2 SER 7 HB2 SER 7 1.131 8.813 -7.469 47 HB3 SER 7 HB3 SER 7 -0.268 8.733 -6.399 48 HG SER 7 HG SER 7 -1.203 7.241 -7.825 49 H HIS 8 H HIS 8 -2.706 10.714 -7.131 50 HA HIS 8 HA HIS 8 -1.914 13.359 -6.612 51 HB2 HIS 8 HB2 HIS 8 -3.883 13.375 -5.039 52 HB3 HIS 8 HB3 HIS 8 -4.250 12.850 -6.680 53 HD1 HIS 8 HD1 HIS 8 -4.121 11.647 -3.158 54 HD2 HIS 8 HD2 HIS 8 -4.954 10.135 -6.937 55 HE1 HIS 8 HE1 HIS 8 -5.200 9.410 -2.764 56 H CYS 9 H CYS 9 -0.396 14.032 -5.261 57 HA CYS 9 HA CYS 9 -0.219 12.825 -2.600 58 HB2 CYS 9 HB2 CYS 9 2.121 12.497 -2.687 59 HB3 CYS 9 HB3 CYS 9 1.505 11.817 -4.189 60 H TYR 10 H TYR 10 0.419 14.219 -0.982 61 HA TYR 10 HA TYR 10 0.145 17.024 -1.582 62 HB2 TYR 10 HB2 TYR 10 0.889 15.917 1.112 63 HB3 TYR 10 HB3 TYR 10 -0.040 17.363 0.732 64 HD1 TYR 10 HD1 TYR 10 -1.996 16.247 -1.211 65 HD2 TYR 10 HD2 TYR 10 -0.561 14.693 2.481 66 HE1 TYR 10 HE1 TYR 10 -4.086 14.979 -0.939 67 HE2 TYR 10 HE2 TYR 10 -2.647 13.420 2.762 68 HH TYR 10 HH TYR 10 -5.126 13.374 0.244 69 H ARG 11 H ARG 11 1.671 18.655 -0.977 70 HA ARG 11 HA ARG 11 4.323 18.057 -1.781 71 HB2 ARG 11 HB2 ARG 11 2.900 20.309 -1.795 72 HB3 ARG 11 HB3 ARG 11 3.743 20.557 -0.272 73 HG2 ARG 11 HG2 ARG 11 5.890 20.161 -1.506 74 HG3 ARG 11 HG3 ARG 11 4.950 20.194 -3.000 75 HD2 ARG 11 HD2 ARG 11 5.258 22.410 -0.981 76 HD3 ARG 11 HD3 ARG 11 5.883 22.374 -2.629 77 HE ARG 11 HE ARG 11 3.735 22.800 -3.436 78 HH11 ARG 11 HH11 ARG 11 3.765 22.478 0.030 79 HH12 ARG 11 HH12 ARG 11 2.190 23.170 0.239 80 HH21 ARG 11 HH21 ARG 11 1.662 23.713 -3.175 81 HH22 ARG 11 HH22 ARG 11 0.995 23.872 -1.585 82 H GLN 12 H GLN 12 2.781 17.518 1.110 83 HA GLN 12 HA GLN 12 5.008 18.097 2.858 84 HB2 GLN 12 HB2 GLN 12 2.264 16.962 3.212 85 HB3 GLN 12 HB3 GLN 12 3.465 16.706 4.470 86 HG2 GLN 12 HG2 GLN 12 3.762 19.334 4.149 87 HG3 GLN 12 HG3 GLN 12 2.082 19.180 3.638 88 HE21 GLN 12 HE21 GLN 12 4.296 18.279 6.244 89 HE22 GLN 12 HE22 GLN 12 3.127 18.387 7.512 90 H HIS 13 H HIS 13 3.222 15.092 2.135 91 HA HIS 13 HA HIS 13 5.626 13.562 2.796 92 HB2 HIS 13 HB2 HIS 13 3.024 12.270 2.090 93 HB3 HIS 13 HB3 HIS 13 4.259 11.747 3.232 94 HD1 HIS 13 HD1 HIS 13 3.915 12.354 5.639 95 HD2 HIS 13 HD2 HIS 13 1.359 14.417 3.095 96 HE1 HIS 13 HE1 HIS 13 2.297 13.557 7.142 97 H ARG 14 H ARG 14 5.782 11.448 1.399 98 HA ARG 14 HA ARG 14 5.173 11.863 -1.402 99 HB2 ARG 14 HB2 ARG 14 8.036 11.675 -0.447 100 HB3 ARG 14 HB3 ARG 14 7.516 11.651 -2.127 101 HG2 ARG 14 HG2 ARG 14 6.483 13.933 -1.669 102 HG3 ARG 14 HG3 ARG 14 7.429 13.928 -0.180 103 HD2 ARG 14 HD2 ARG 14 8.497 13.691 -2.991 104 HD3 ARG 14 HD3 ARG 14 8.628 15.097 -1.934 105 HE ARG 14 HE ARG 14 9.762 12.753 -0.763 106 HH11 ARG 14 HH11 ARG 14 10.350 15.334 -3.024 107 HH12 ARG 14 HH12 ARG 14 12.072 15.267 -2.853 108 HH21 ARG 14 HH21 ARG 14 12.029 12.654 -0.529 109 HH22 ARG 14 HH22 ARG 14 13.026 13.742 -1.434 110 H GLU 15 H GLU 15 3.922 9.948 -0.788 111 HA GLU 15 HA GLU 15 5.427 7.519 -0.261 112 HB2 GLU 15 HB2 GLU 15 3.278 6.438 -0.034 113 HB3 GLU 15 HB3 GLU 15 3.263 7.944 0.873 114 HG2 GLU 15 HG2 GLU 15 2.336 8.439 -1.780 115 HG3 GLU 15 HG3 GLU 15 1.451 7.078 -1.094 116 H CYS 16 H CYS 16 5.880 8.874 -2.773 117 HA CYS 16 HA CYS 16 4.516 7.404 -4.833 118 HB2 CYS 16 HB2 CYS 16 6.988 9.139 -5.017 119 HB3 CYS 16 HB3 CYS 16 6.016 8.574 -6.372 120 H CYS 17 H CYS 17 5.289 5.736 -6.080 121 HA CYS 17 HA CYS 17 6.936 3.833 -4.904 122 HB2 CYS 17 HB2 CYS 17 6.034 4.259 -7.743 123 HB3 CYS 17 HB3 CYS 17 7.087 2.915 -7.313 124 H HIS 18 H HIS 18 8.951 2.916 -6.016 125 HA HIS 18 HA HIS 18 11.018 4.830 -5.828 126 HB2 HIS 18 HB2 HIS 18 11.471 2.531 -5.274 127 HB3 HIS 18 HB3 HIS 18 11.012 1.999 -6.889 128 HD1 HIS 18 HD1 HIS 18 12.796 2.029 -8.671 129 HD2 HIS 18 HD2 HIS 18 13.985 3.914 -5.165 130 HE1 HIS 18 HE1 HIS 18 15.255 2.475 -8.949 131 H GLY 19 H GLY 19 11.666 6.271 -7.277 132 HA2 GLY 19 HA2 GLY 19 12.614 6.623 -9.506 133 HA3 GLY 19 HA3 GLY 19 11.311 5.628 -10.139 134 H LEU 20 H LEU 20 9.435 7.013 -8.203 135 HA LEU 20 HA LEU 20 8.952 9.350 -9.909 136 HB2 LEU 20 HB2 LEU 20 7.081 7.991 -7.977 137 HB3 LEU 20 HB3 LEU 20 6.666 9.267 -9.120 138 HG LEU 20 HG LEU 20 7.432 6.424 -9.769 139 HD11 LEU 20 HD11 LEU 20 5.224 6.269 -9.235 140 HD12 LEU 20 HD12 LEU 20 4.890 7.952 -9.643 141 HD13 LEU 20 HD13 LEU 20 5.077 6.755 -10.924 142 HD21 LEU 20 HD21 LEU 20 6.578 7.483 -12.103 143 HD22 LEU 20 HD22 LEU 20 7.415 8.870 -11.405 144 HD23 LEU 20 HD23 LEU 20 8.275 7.349 -11.641 145 H VAL 21 H VAL 21 8.107 11.312 -8.888 146 HA VAL 21 HA VAL 21 8.771 11.666 -6.068 147 HB VAL 21 HB VAL 21 10.123 13.646 -6.456 148 HG11 VAL 21 HG11 VAL 21 11.328 11.579 -6.254 149 HG12 VAL 21 HG12 VAL 21 11.077 11.214 -7.961 150 HG13 VAL 21 HG13 VAL 21 12.110 12.564 -7.490 151 HG21 VAL 21 HG21 VAL 21 9.128 14.404 -8.538 152 HG22 VAL 21 HG22 VAL 21 10.875 14.242 -8.721 153 HG23 VAL 21 HG23 VAL 21 9.799 13.013 -9.389 154 H CYS 22 H CYS 22 7.745 13.431 -5.087 155 HA CYS 22 HA CYS 22 5.267 14.189 -6.290 156 HB2 CYS 22 HB2 CYS 22 6.630 14.725 -3.684 157 HB3 CYS 22 HB3 CYS 22 5.279 15.751 -4.157 158 H ARG 23 H ARG 23 5.153 15.662 -7.847 159 HA ARG 23 HA ARG 23 6.421 18.254 -7.436 160 HB2 ARG 23 HB2 ARG 23 7.888 16.666 -8.874 161 HB3 ARG 23 HB3 ARG 23 6.686 16.947 -10.126 162 HG2 ARG 23 HG2 ARG 23 8.276 18.537 -10.610 163 HG3 ARG 23 HG3 ARG 23 7.126 19.453 -9.634 164 HD2 ARG 23 HD2 ARG 23 8.513 19.387 -7.741 165 HD3 ARG 23 HD3 ARG 23 9.506 18.094 -8.412 166 HE ARG 23 HE ARG 23 9.803 20.205 -10.139 167 HH11 ARG 23 HH11 ARG 23 10.337 19.652 -6.744 168 HH12 ARG 23 HH12 ARG 23 11.642 20.786 -6.631 169 HH21 ARG 23 HH21 ARG 23 11.520 21.701 -10.003 170 HH22 ARG 23 HH22 ARG 23 12.313 21.952 -8.485 171 H ARG 24 H ARG 24 5.403 19.962 -8.515 172 HA ARG 24 HA ARG 24 2.630 19.522 -9.087 173 HB2 ARG 24 HB2 ARG 24 2.601 21.980 -9.521 174 HB3 ARG 24 HB3 ARG 24 3.251 21.544 -7.946 175 HG2 ARG 24 HG2 ARG 24 5.510 21.879 -8.751 176 HG3 ARG 24 HG3 ARG 24 4.900 22.234 -10.369 177 HD2 ARG 24 HD2 ARG 24 3.480 23.983 -8.821 178 HD3 ARG 24 HD3 ARG 24 5.032 23.930 -7.986 179 HE ARG 24 HE ARG 24 5.701 24.264 -10.602 180 HH11 ARG 24 HH11 ARG 24 3.625 25.959 -8.380 181 HH12 ARG 24 HH12 ARG 24 3.859 27.501 -9.134 182 HH21 ARG 24 HH21 ARG 24 6.017 26.289 -11.604 183 HH22 ARG 24 HH22 ARG 24 5.219 27.687 -10.968 184 HA PRO 25 HA PRO 25 2.713 19.066 -13.452 185 HB2 PRO 25 HB2 PRO 25 0.413 20.325 -14.159 186 HB3 PRO 25 HB3 PRO 25 0.439 18.757 -13.343 187 HG2 PRO 25 HG2 PRO 25 -0.010 21.484 -12.192 188 HG3 PRO 25 HG3 PRO 25 -0.867 19.970 -11.849 189 HD2 PRO 25 HD2 PRO 25 1.054 20.958 -10.216 190 HD3 PRO 25 HD3 PRO 25 0.776 19.216 -10.419 191 H ASN 26 H ASN 26 2.130 20.498 -15.518 192 HA ASN 26 HA ASN 26 3.944 22.747 -15.396 193 HB2 ASN 26 HB2 ASN 26 3.850 21.035 -17.283 194 HB3 ASN 26 HB3 ASN 26 2.368 21.832 -17.801 195 HD21 ASN 26 HD21 ASN 26 5.202 21.557 -18.885 196 HD22 ASN 26 HD22 ASN 26 5.625 23.172 -19.330 197 H TYR 27 H TYR 27 0.743 22.425 -16.932 198 HA TYR 27 HA TYR 27 -0.243 24.771 -15.568 199 HB2 TYR 27 HB2 TYR 27 1.020 25.813 -17.376 200 HB3 TYR 27 HB3 TYR 27 0.191 24.811 -18.562 201 HD1 TYR 27 HD1 TYR 27 -1.786 25.559 -19.554 202 HD2 TYR 27 HD2 TYR 27 -0.424 27.417 -15.977 203 HE1 TYR 27 HE1 TYR 27 -3.536 27.272 -19.784 204 HE2 TYR 27 HE2 TYR 27 -2.171 29.134 -16.196 205 HH TYR 27 HH TYR 27 -3.558 30.060 -18.516 206 H GLY 28 H GLY 28 -2.501 25.078 -15.817 207 HA2 GLY 28 HA2 GLY 28 -4.170 23.690 -17.567 208 HA3 GLY 28 HA3 GLY 28 -3.972 22.684 -16.139 209 H ASN 29 H ASN 29 -6.016 22.835 -15.329 210 HA ASN 29 HA ASN 29 -7.406 25.327 -15.114 211 HB2 ASN 29 HB2 ASN 29 -9.200 24.097 -14.338 212 HB3 ASN 29 HB3 ASN 29 -8.325 22.860 -15.237 213 HD21 ASN 29 HD21 ASN 29 -6.373 22.068 -13.639 214 HD22 ASN 29 HD22 ASN 29 -6.986 21.434 -12.153 215 H GLY 30 H GLY 30 -8.244 26.128 -12.993 216 HA2 GLY 30 HA2 GLY 30 -6.044 26.116 -11.033 217 HA3 GLY 30 HA3 GLY 30 -7.203 27.420 -11.245 218 H ARG 31 H ARG 31 -7.512 27.298 -8.934 219 HA ARG 31 HA ARG 31 -8.517 26.582 -7.012 220 HB2 ARG 31 HB2 ARG 31 -10.476 27.262 -8.282 221 HB3 ARG 31 HB3 ARG 31 -10.554 25.686 -9.057 222 HG2 ARG 31 HG2 ARG 31 -12.022 25.166 -7.468 223 HG3 ARG 31 HG3 ARG 31 -10.626 25.041 -6.396 224 HD2 ARG 31 HD2 ARG 31 -12.157 27.593 -6.857 225 HD3 ARG 31 HD3 ARG 31 -12.509 26.469 -5.545 226 HE ARG 31 HE ARG 31 -10.300 28.307 -5.714 227 HH11 ARG 31 HH11 ARG 31 -11.501 25.377 -4.268 228 HH12 ARG 31 HH12 ARG 31 -10.460 25.478 -2.886 229 HH21 ARG 31 HH21 ARG 31 -8.924 28.451 -3.900 230 HH22 ARG 31 HH22 ARG 31 -8.996 27.227 -2.678 231 H GLY 32 H GLY 32 -6.766 24.981 -6.750 232 HA2 GLY 32 HA2 GLY 32 -7.390 22.647 -5.667 233 HA3 GLY 32 HA3 GLY 32 -7.482 22.220 -7.370 234 H ILE 33 H ILE 33 -5.335 23.423 -4.842 235 HA ILE 33 HA ILE 33 -2.982 23.016 -6.480 236 HB ILE 33 HB ILE 33 -3.055 23.626 -3.528 237 HG12 ILE 33 HG12 ILE 33 -3.056 25.558 -5.857 238 HG13 ILE 33 HG13 ILE 33 -4.391 25.292 -4.741 239 HG21 ILE 33 HG21 ILE 33 -0.944 22.893 -4.980 240 HG22 ILE 33 HG22 ILE 33 -0.936 24.620 -5.341 241 HG23 ILE 33 HG23 ILE 33 -0.834 24.067 -3.669 242 HD11 ILE 33 HD11 ILE 33 -3.477 27.174 -3.850 243 HD12 ILE 33 HD12 ILE 33 -2.583 25.947 -2.951 244 HD13 ILE 33 HD13 ILE 33 -1.837 26.744 -4.336 245 H LEU 34 H LEU 34 -2.571 20.914 -6.884 246 HA LEU 34 HA LEU 34 -1.945 19.217 -4.593 247 HB2 LEU 34 HB2 LEU 34 -3.528 18.095 -6.879 248 HB3 LEU 34 HB3 LEU 34 -3.226 17.385 -5.294 249 HG LEU 34 HG LEU 34 -4.924 19.840 -5.679 250 HD11 LEU 34 HD11 LEU 34 -6.629 17.754 -5.115 251 HD12 LEU 34 HD12 LEU 34 -6.425 18.536 -6.682 252 HD13 LEU 34 HD13 LEU 34 -5.525 17.067 -6.306 253 HD21 LEU 34 HD21 LEU 34 -3.834 18.866 -3.420 254 HD22 LEU 34 HD22 LEU 34 -5.386 19.700 -3.474 255 HD23 LEU 34 HD23 LEU 34 -5.333 17.937 -3.463 256 H TRP 35 H TRP 35 -0.198 17.940 -4.906 257 HA TRP 35 HA TRP 35 1.168 18.196 -7.481 258 HB2 TRP 35 HB2 TRP 35 2.098 17.424 -4.720 259 HB3 TRP 35 HB3 TRP 35 3.106 17.182 -6.144 260 HD1 TRP 35 HD1 TRP 35 0.950 20.319 -5.879 261 HE1 TRP 35 HE1 TRP 35 2.491 22.363 -5.615 262 HE3 TRP 35 HE3 TRP 35 5.410 17.898 -5.256 263 HZ2 TRP 35 HZ2 TRP 35 5.234 22.881 -5.197 264 HZ3 TRP 35 HZ3 TRP 35 7.445 19.242 -4.930 265 HH2 TRP 35 HH2 TRP 35 7.357 21.682 -4.902 266 H LYS 36 H LYS 36 2.000 16.406 -8.599 267 HA LYS 36 HA LYS 36 0.796 13.821 -7.855 268 HB2 LYS 36 HB2 LYS 36 0.478 13.312 -10.177 269 HB3 LYS 36 HB3 LYS 36 -0.224 14.895 -9.871 270 HG2 LYS 36 HG2 LYS 36 1.831 15.932 -10.781 271 HG3 LYS 36 HG3 LYS 36 2.424 14.319 -11.184 272 HD2 LYS 36 HD2 LYS 36 0.175 14.077 -12.449 273 HD3 LYS 36 HD3 LYS 36 0.122 15.839 -12.356 274 HE2 LYS 36 HE2 LYS 36 2.262 15.985 -13.493 275 HE3 LYS 36 HE3 LYS 36 2.391 14.227 -13.522 276 HZ1 LYS 36 HZ1 LYS 36 1.304 15.785 -15.473 277 HZ2 LYS 36 HZ2 LYS 36 1.106 14.112 -15.316 278 HZ3 LYS 36 HZ3 LYS 36 -0.053 15.165 -14.675 279 H CYS 37 H CYS 37 1.980 11.919 -8.453 280 HA CYS 37 HA CYS 37 4.793 12.198 -8.024 281 HB2 CYS 37 HB2 CYS 37 3.143 9.763 -8.736 282 HB3 CYS 37 HB3 CYS 37 4.829 9.730 -8.228 283 H VAL 38 H VAL 38 6.064 12.939 -9.597 284 HA VAL 38 HA VAL 38 5.549 12.112 -12.366 285 HB VAL 38 HB VAL 38 7.210 13.900 -12.951 286 HG11 VAL 38 HG11 VAL 38 4.690 14.595 -11.464 287 HG12 VAL 38 HG12 VAL 38 5.644 15.793 -12.340 288 HG13 VAL 38 HG13 VAL 38 4.924 14.436 -13.205 289 HG21 VAL 38 HG21 VAL 38 8.382 13.956 -10.794 290 HG22 VAL 38 HG22 VAL 38 7.794 15.551 -11.262 291 HG23 VAL 38 HG23 VAL 38 6.936 14.621 -10.034 292 H ARG 39 H ARG 39 7.343 11.472 -13.716 293 HA ARG 39 HA ARG 39 9.063 9.604 -12.394 294 HB2 ARG 39 HB2 ARG 39 9.943 9.211 -14.717 295 HB3 ARG 39 HB3 ARG 39 8.211 8.975 -14.531 296 HG2 ARG 39 HG2 ARG 39 7.895 10.348 -16.235 297 HG3 ARG 39 HG3 ARG 39 8.544 11.661 -15.251 298 HD2 ARG 39 HD2 ARG 39 10.840 10.542 -16.037 299 HD3 ARG 39 HD3 ARG 39 9.823 10.076 -17.400 300 HE ARG 39 HE ARG 39 10.740 12.726 -16.739 301 HH11 ARG 39 HH11 ARG 39 8.374 10.837 -18.456 302 HH12 ARG 39 HH12 ARG 39 7.997 12.095 -19.586 303 HH21 ARG 39 HH21 ARG 39 10.253 14.391 -18.220 304 HH22 ARG 39 HH22 ARG 39 9.067 14.116 -19.451 305 H ALA 40 H ALA 40 10.534 10.651 -11.112 306 HA ALA 40 HA ALA 40 11.980 12.957 -11.828 307 HB1 ALA 40 HB1 ALA 40 12.082 10.960 -9.673 308 HB2 ALA 40 HB2 ALA 40 13.607 11.776 -10.015 309 HB3 ALA 40 HB3 ALA 40 12.176 12.720 -9.600 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.825 1.451 1.585 2 HA2 GLY 1 HA2 GLY 1 4.029 0.403 0.773 3 HA3 GLY 1 HA3 GLY 1 3.061 -0.067 -0.616 4 H CYS 2 H CYS 2 3.257 1.218 -2.312 5 HA CYS 2 HA CYS 2 3.577 4.103 -1.883 6 HB2 CYS 2 HB2 CYS 2 5.289 4.187 -3.666 7 HB3 CYS 2 HB3 CYS 2 5.821 3.250 -2.274 8 H LYS 3 H LYS 3 3.100 5.385 -3.823 9 HA LYS 3 HA LYS 3 0.900 4.169 -5.316 10 HB2 LYS 3 HB2 LYS 3 1.727 7.074 -5.246 11 HB3 LYS 3 HB3 LYS 3 0.208 6.416 -5.842 12 HG2 LYS 3 HG2 LYS 3 0.610 5.609 -3.124 13 HG3 LYS 3 HG3 LYS 3 0.786 7.359 -3.267 14 HD2 LYS 3 HD2 LYS 3 -1.384 7.654 -3.973 15 HD3 LYS 3 HD3 LYS 3 -1.505 6.019 -4.629 16 HE2 LYS 3 HE2 LYS 3 -2.685 5.575 -2.777 17 HE3 LYS 3 HE3 LYS 3 -1.117 5.532 -1.973 18 HZ1 LYS 3 HZ1 LYS 3 -1.926 7.131 -0.680 19 HZ2 LYS 3 HZ2 LYS 3 -1.772 8.175 -2.003 20 HZ3 LYS 3 HZ3 LYS 3 -3.251 7.416 -1.693 21 H ASN 4 H ASN 4 0.684 4.554 -7.615 22 HA ASN 4 HA ASN 4 3.206 4.194 -8.979 23 HB2 ASN 4 HB2 ASN 4 0.823 3.068 -9.400 24 HB3 ASN 4 HB3 ASN 4 0.652 4.440 -10.493 25 HD21 ASN 4 HD21 ASN 4 0.983 3.742 -12.474 26 HD22 ASN 4 HD22 ASN 4 2.283 2.727 -12.990 27 H LEU 5 H LEU 5 2.751 5.306 -11.448 28 HA LEU 5 HA LEU 5 3.538 7.997 -11.023 29 HB2 LEU 5 HB2 LEU 5 4.217 6.516 -12.937 30 HB3 LEU 5 HB3 LEU 5 2.608 6.768 -13.610 31 HG LEU 5 HG LEU 5 3.121 9.222 -13.680 32 HD11 LEU 5 HD11 LEU 5 5.988 8.416 -13.324 33 HD12 LEU 5 HD12 LEU 5 5.287 10.034 -13.345 34 HD13 LEU 5 HD13 LEU 5 5.002 8.966 -11.970 35 HD21 LEU 5 HD21 LEU 5 3.953 9.035 -15.785 36 HD22 LEU 5 HD22 LEU 5 5.211 7.895 -15.308 37 HD23 LEU 5 HD23 LEU 5 3.550 7.340 -15.515 38 H ASN 6 H ASN 6 2.484 9.912 -11.845 39 HA ASN 6 HA ASN 6 0.732 11.365 -11.874 40 HB2 ASN 6 HB2 ASN 6 -0.947 9.170 -13.063 41 HB3 ASN 6 HB3 ASN 6 -0.990 10.898 -13.402 42 HD21 ASN 6 HD21 ASN 6 -0.123 8.012 -14.629 43 HD22 ASN 6 HD22 ASN 6 1.110 8.510 -15.733 44 H SER 7 H SER 7 1.021 9.372 -9.621 45 HA SER 7 HA SER 7 -1.680 8.940 -8.698 46 HB2 SER 7 HB2 SER 7 1.046 8.404 -7.537 47 HB3 SER 7 HB3 SER 7 -0.414 8.216 -6.566 48 HG SER 7 HG SER 7 -0.030 6.953 -9.074 49 H HIS 8 H HIS 8 -2.743 10.018 -7.081 50 HA HIS 8 HA HIS 8 -2.144 12.753 -6.713 51 HB2 HIS 8 HB2 HIS 8 -4.111 10.874 -5.426 52 HB3 HIS 8 HB3 HIS 8 -3.959 12.544 -4.890 53 HD1 HIS 8 HD1 HIS 8 -6.543 12.565 -5.752 54 HD2 HIS 8 HD2 HIS 8 -3.586 12.351 -8.662 55 HE1 HIS 8 HE1 HIS 8 -7.663 13.243 -7.900 56 H CYS 9 H CYS 9 -0.542 13.537 -5.526 57 HA CYS 9 HA CYS 9 -0.103 12.444 -2.844 58 HB2 CYS 9 HB2 CYS 9 1.686 11.363 -3.812 59 HB3 CYS 9 HB3 CYS 9 1.888 12.588 -5.061 60 H TYR 10 H TYR 10 0.420 13.942 -1.317 61 HA TYR 10 HA TYR 10 0.015 16.704 -2.016 62 HB2 TYR 10 HB2 TYR 10 0.884 15.755 0.698 63 HB3 TYR 10 HB3 TYR 10 -0.144 17.123 0.282 64 HD1 TYR 10 HD1 TYR 10 -2.085 15.823 -1.543 65 HD2 TYR 10 HD2 TYR 10 -0.439 14.485 2.146 66 HE1 TYR 10 HE1 TYR 10 -4.084 14.441 -1.159 67 HE2 TYR 10 HE2 TYR 10 -2.433 13.099 2.539 68 HH TYR 10 HH TYR 10 -5.093 13.374 1.525 69 H ARG 11 H ARG 11 1.474 18.413 -1.693 70 HA ARG 11 HA ARG 11 4.150 17.857 -2.432 71 HB2 ARG 11 HB2 ARG 11 4.514 20.266 -2.189 72 HB3 ARG 11 HB3 ARG 11 3.026 19.936 -3.067 73 HG2 ARG 11 HG2 ARG 11 1.682 20.609 -1.294 74 HG3 ARG 11 HG3 ARG 11 2.988 20.441 -0.119 75 HD2 ARG 11 HD2 ARG 11 4.037 22.407 -0.830 76 HD3 ARG 11 HD3 ARG 11 3.151 22.433 -2.354 77 HE ARG 11 HE ARG 11 1.482 23.576 -1.303 78 HH11 ARG 11 HH11 ARG 11 3.427 21.981 1.103 79 HH12 ARG 11 HH12 ARG 11 2.605 22.713 2.441 80 HH21 ARG 11 HH21 ARG 11 0.391 24.546 0.450 81 HH22 ARG 11 HH22 ARG 11 0.877 24.171 2.069 82 H GLN 12 H GLN 12 2.646 17.564 0.508 83 HA GLN 12 HA GLN 12 4.805 18.480 2.183 84 HB2 GLN 12 HB2 GLN 12 2.167 17.152 2.638 85 HB3 GLN 12 HB3 GLN 12 3.376 17.095 3.914 86 HG2 GLN 12 HG2 GLN 12 3.480 19.692 3.426 87 HG3 GLN 12 HG3 GLN 12 1.840 19.395 2.850 88 HE21 GLN 12 HE21 GLN 12 3.433 20.480 5.395 89 HE22 GLN 12 HE22 GLN 12 2.407 19.956 6.681 90 H HIS 13 H HIS 13 3.308 15.266 1.768 91 HA HIS 13 HA HIS 13 5.842 14.039 2.560 92 HB2 HIS 13 HB2 HIS 13 3.380 12.440 2.002 93 HB3 HIS 13 HB3 HIS 13 4.648 12.163 3.192 94 HD1 HIS 13 HD1 HIS 13 4.236 13.004 5.520 95 HD2 HIS 13 HD2 HIS 13 1.492 14.489 2.777 96 HE1 HIS 13 HE1 HIS 13 2.492 14.191 6.889 97 H ARG 14 H ARG 14 5.921 11.680 1.363 98 HA ARG 14 HA ARG 14 5.577 12.070 -1.513 99 HB2 ARG 14 HB2 ARG 14 8.210 11.119 -0.397 100 HB3 ARG 14 HB3 ARG 14 7.836 11.574 -2.053 101 HG2 ARG 14 HG2 ARG 14 7.768 13.512 0.244 102 HG3 ARG 14 HG3 ARG 14 9.197 13.229 -0.754 103 HD2 ARG 14 HD2 ARG 14 6.710 13.769 -2.231 104 HD3 ARG 14 HD3 ARG 14 7.320 15.113 -1.266 105 HE ARG 14 HE ARG 14 8.420 14.120 -3.695 106 HH11 ARG 14 HH11 ARG 14 9.260 15.565 -0.641 107 HH12 ARG 14 HH12 ARG 14 10.721 16.283 -1.235 108 HH21 ARG 14 HH21 ARG 14 10.341 15.060 -4.488 109 HH22 ARG 14 HH22 ARG 14 11.334 15.996 -3.423 110 H GLU 15 H GLU 15 3.908 10.480 -1.147 111 HA GLU 15 HA GLU 15 4.750 7.816 -0.346 112 HB2 GLU 15 HB2 GLU 15 2.328 7.256 -0.730 113 HB3 GLU 15 HB3 GLU 15 2.621 8.484 0.493 114 HG2 GLU 15 HG2 GLU 15 2.283 9.738 -2.053 115 HG3 GLU 15 HG3 GLU 15 0.940 8.637 -1.750 116 H CYS 16 H CYS 16 5.710 9.118 -2.854 117 HA CYS 16 HA CYS 16 4.488 7.551 -4.967 118 HB2 CYS 16 HB2 CYS 16 6.933 9.321 -5.129 119 HB3 CYS 16 HB3 CYS 16 5.945 8.745 -6.468 120 H CYS 17 H CYS 17 5.356 5.795 -5.963 121 HA CYS 17 HA CYS 17 7.066 4.104 -4.571 122 HB2 CYS 17 HB2 CYS 17 6.178 4.203 -7.440 123 HB3 CYS 17 HB3 CYS 17 7.330 2.986 -6.900 124 H HIS 18 H HIS 18 9.130 3.164 -5.657 125 HA HIS 18 HA HIS 18 11.120 5.166 -5.550 126 HB2 HIS 18 HB2 HIS 18 11.637 2.902 -4.880 127 HB3 HIS 18 HB3 HIS 18 11.248 2.294 -6.486 128 HD1 HIS 18 HD1 HIS 18 13.230 1.876 -7.889 129 HD2 HIS 18 HD2 HIS 18 13.935 4.859 -5.084 130 HE1 HIS 18 HE1 HIS 18 15.637 2.536 -8.199 131 H GLY 19 H GLY 19 11.827 6.507 -7.072 132 HA2 GLY 19 HA2 GLY 19 12.743 6.800 -9.303 133 HA3 GLY 19 HA3 GLY 19 11.489 5.721 -9.896 134 H LEU 20 H LEU 20 9.536 7.133 -8.055 135 HA LEU 20 HA LEU 20 8.982 9.353 -9.891 136 HB2 LEU 20 HB2 LEU 20 7.143 8.028 -7.905 137 HB3 LEU 20 HB3 LEU 20 6.692 9.222 -9.120 138 HG LEU 20 HG LEU 20 7.572 6.378 -9.601 139 HD11 LEU 20 HD11 LEU 20 5.366 6.160 -9.101 140 HD12 LEU 20 HD12 LEU 20 4.977 7.813 -9.576 141 HD13 LEU 20 HD13 LEU 20 5.220 6.575 -10.809 142 HD21 LEU 20 HD21 LEU 20 6.813 7.140 -12.009 143 HD22 LEU 20 HD22 LEU 20 7.334 8.719 -11.422 144 HD23 LEU 20 HD23 LEU 20 8.471 7.371 -11.454 145 H VAL 21 H VAL 21 8.017 11.323 -8.970 146 HA VAL 21 HA VAL 21 8.683 11.856 -6.177 147 HB VAL 21 HB VAL 21 9.910 13.882 -6.672 148 HG11 VAL 21 HG11 VAL 21 11.256 11.916 -6.440 149 HG12 VAL 21 HG12 VAL 21 10.963 11.456 -8.117 150 HG13 VAL 21 HG13 VAL 21 11.928 12.886 -7.751 151 HG21 VAL 21 HG21 VAL 21 10.536 14.495 -8.949 152 HG22 VAL 21 HG22 VAL 21 9.601 13.139 -9.581 153 HG23 VAL 21 HG23 VAL 21 8.782 14.470 -8.765 154 H CYS 22 H CYS 22 7.492 13.508 -5.242 155 HA CYS 22 HA CYS 22 4.999 14.106 -6.512 156 HB2 CYS 22 HB2 CYS 22 5.710 13.840 -3.935 157 HB3 CYS 22 HB3 CYS 22 5.810 15.593 -4.072 158 H ARG 23 H ARG 23 4.805 15.604 -8.034 159 HA ARG 23 HA ARG 23 5.916 18.257 -7.565 160 HB2 ARG 23 HB2 ARG 23 7.464 16.727 -9.029 161 HB3 ARG 23 HB3 ARG 23 6.289 17.075 -10.290 162 HG2 ARG 23 HG2 ARG 23 7.971 18.669 -10.576 163 HG3 ARG 23 HG3 ARG 23 6.674 19.531 -9.747 164 HD2 ARG 23 HD2 ARG 23 7.973 18.788 -7.597 165 HD3 ARG 23 HD3 ARG 23 9.327 18.636 -8.716 166 HE ARG 23 HE ARG 23 8.119 21.136 -9.098 167 HH11 ARG 23 HH11 ARG 23 9.982 19.409 -6.718 168 HH12 ARG 23 HH12 ARG 23 10.707 20.837 -6.058 169 HH21 ARG 23 HH21 ARG 23 9.067 23.024 -8.239 170 HH22 ARG 23 HH22 ARG 23 10.185 22.893 -6.924 171 H ARG 24 H ARG 24 4.829 19.920 -8.660 172 HA ARG 24 HA ARG 24 2.093 19.329 -9.280 173 HB2 ARG 24 HB2 ARG 24 1.928 21.785 -9.682 174 HB3 ARG 24 HB3 ARG 24 2.579 21.367 -8.103 175 HG2 ARG 24 HG2 ARG 24 4.828 21.840 -8.875 176 HG3 ARG 24 HG3 ARG 24 4.215 22.190 -10.492 177 HD2 ARG 24 HD2 ARG 24 2.681 23.833 -8.957 178 HD3 ARG 24 HD3 ARG 24 4.201 23.837 -8.064 179 HE ARG 24 HE ARG 24 5.131 25.080 -9.740 180 HH11 ARG 24 HH11 ARG 24 2.218 23.588 -10.927 181 HH12 ARG 24 HH12 ARG 24 2.243 24.437 -12.437 182 HH21 ARG 24 HH21 ARG 24 5.175 26.204 -11.725 183 HH22 ARG 24 HH22 ARG 24 3.926 25.924 -12.890 184 HA PRO 25 HA PRO 25 2.280 18.933 -13.647 185 HB2 PRO 25 HB2 PRO 25 -0.080 20.056 -14.380 186 HB3 PRO 25 HB3 PRO 25 0.028 18.482 -13.583 187 HG2 PRO 25 HG2 PRO 25 -0.607 21.161 -12.408 188 HG3 PRO 25 HG3 PRO 25 -1.375 19.593 -12.098 189 HD2 PRO 25 HD2 PRO 25 0.453 20.676 -10.420 190 HD3 PRO 25 HD3 PRO 25 0.287 18.923 -10.648 191 H ASN 26 H ASN 26 1.682 20.337 -15.710 192 HA ASN 26 HA ASN 26 3.318 22.716 -15.507 193 HB2 ASN 26 HB2 ASN 26 3.637 21.180 -17.393 194 HB3 ASN 26 HB3 ASN 26 1.972 21.448 -17.903 195 HD21 ASN 26 HD21 ASN 26 2.801 22.130 -19.927 196 HD22 ASN 26 HD22 ASN 26 3.443 23.722 -20.126 197 H TYR 27 H TYR 27 0.223 22.149 -17.182 198 HA TYR 27 HA TYR 27 -0.498 24.927 -16.873 199 HB2 TYR 27 HB2 TYR 27 -1.063 23.830 -18.952 200 HB3 TYR 27 HB3 TYR 27 -1.965 22.583 -18.097 201 HD1 TYR 27 HD1 TYR 27 -1.978 26.090 -19.189 202 HD2 TYR 27 HD2 TYR 27 -4.193 23.004 -17.274 203 HE1 TYR 27 HE1 TYR 27 -4.024 27.438 -19.397 204 HE2 TYR 27 HE2 TYR 27 -6.246 24.343 -17.477 205 HH TYR 27 HH TYR 27 -6.546 27.219 -17.753 206 H GLY 28 H GLY 28 -1.297 25.650 -15.016 207 HA2 GLY 28 HA2 GLY 28 -3.513 24.214 -13.776 208 HA3 GLY 28 HA3 GLY 28 -2.084 24.454 -12.782 209 H ASN 29 H ASN 29 -2.482 26.011 -11.362 210 HA ASN 29 HA ASN 29 -3.211 27.958 -10.429 211 HB2 ASN 29 HB2 ASN 29 -2.863 29.184 -13.163 212 HB3 ASN 29 HB3 ASN 29 -2.653 29.951 -11.591 213 HD21 ASN 29 HD21 ASN 29 -0.774 29.923 -13.719 214 HD22 ASN 29 HD22 ASN 29 0.636 29.098 -13.156 215 H GLY 30 H GLY 30 -5.252 26.241 -11.404 216 HA2 GLY 30 HA2 GLY 30 -7.296 28.236 -12.169 217 HA3 GLY 30 HA3 GLY 30 -7.315 26.583 -12.763 218 H ARG 31 H ARG 31 -7.502 24.863 -11.087 219 HA ARG 31 HA ARG 31 -8.614 25.614 -8.537 220 HB2 ARG 31 HB2 ARG 31 -10.448 25.694 -10.449 221 HB3 ARG 31 HB3 ARG 31 -10.454 23.954 -10.198 222 HG2 ARG 31 HG2 ARG 31 -10.690 25.749 -7.836 223 HG3 ARG 31 HG3 ARG 31 -12.091 25.512 -8.882 224 HD2 ARG 31 HD2 ARG 31 -11.450 22.976 -8.606 225 HD3 ARG 31 HD3 ARG 31 -10.659 23.562 -7.143 226 HE ARG 31 HE ARG 31 -13.387 24.435 -7.438 227 HH11 ARG 31 HH11 ARG 31 -11.278 21.933 -6.249 228 HH12 ARG 31 HH12 ARG 31 -12.417 21.346 -5.084 229 HH21 ARG 31 HH21 ARG 31 -14.896 23.670 -5.908 230 HH22 ARG 31 HH22 ARG 31 -14.475 22.334 -4.891 231 H GLY 32 H GLY 32 -8.435 23.999 -7.051 232 HA2 GLY 32 HA2 GLY 32 -8.149 21.833 -6.237 233 HA3 GLY 32 HA3 GLY 32 -8.099 21.244 -7.892 234 H ILE 33 H ILE 33 -6.234 22.699 -5.304 235 HA ILE 33 HA ILE 33 -3.749 22.502 -6.773 236 HB ILE 33 HB ILE 33 -4.034 23.063 -3.828 237 HG12 ILE 33 HG12 ILE 33 -5.514 24.581 -5.097 238 HG13 ILE 33 HG13 ILE 33 -4.159 25.440 -4.373 239 HG21 ILE 33 HG21 ILE 33 -1.790 22.806 -4.217 240 HG22 ILE 33 HG22 ILE 33 -1.900 23.384 -5.879 241 HG23 ILE 33 HG23 ILE 33 -1.975 24.530 -4.541 242 HD11 ILE 33 HD11 ILE 33 -4.624 26.211 -6.636 243 HD12 ILE 33 HD12 ILE 33 -3.023 25.482 -6.517 244 HD13 ILE 33 HD13 ILE 33 -4.349 24.580 -7.249 245 H LEU 34 H LEU 34 -3.260 20.394 -7.174 246 HA LEU 34 HA LEU 34 -2.529 18.780 -4.854 247 HB2 LEU 34 HB2 LEU 34 -4.045 17.527 -7.119 248 HB3 LEU 34 HB3 LEU 34 -3.685 16.853 -5.531 249 HG LEU 34 HG LEU 34 -5.541 19.190 -5.919 250 HD11 LEU 34 HD11 LEU 34 -5.968 16.378 -6.523 251 HD12 LEU 34 HD12 LEU 34 -7.109 17.008 -5.335 252 HD13 LEU 34 HD13 LEU 34 -6.957 17.785 -6.911 253 HD21 LEU 34 HD21 LEU 34 -4.378 18.324 -3.663 254 HD22 LEU 34 HD22 LEU 34 -6.000 19.016 -3.711 255 HD23 LEU 34 HD23 LEU 34 -5.789 17.266 -3.691 256 H TRP 35 H TRP 35 -0.720 17.580 -5.153 257 HA TRP 35 HA TRP 35 0.647 17.906 -7.718 258 HB2 TRP 35 HB2 TRP 35 1.601 17.154 -4.958 259 HB3 TRP 35 HB3 TRP 35 2.628 16.998 -6.380 260 HD1 TRP 35 HD1 TRP 35 0.294 19.998 -6.108 261 HE1 TRP 35 HE1 TRP 35 1.707 22.124 -5.783 262 HE3 TRP 35 HE3 TRP 35 4.873 17.831 -5.415 263 HZ2 TRP 35 HZ2 TRP 35 4.406 22.795 -5.299 264 HZ3 TRP 35 HZ3 TRP 35 6.819 19.286 -5.028 265 HH2 TRP 35 HH2 TRP 35 6.588 21.716 -4.971 266 H LYS 36 H LYS 36 1.618 16.154 -8.808 267 HA LYS 36 HA LYS 36 0.509 13.516 -8.101 268 HB2 LYS 36 HB2 LYS 36 0.824 14.843 -10.782 269 HB3 LYS 36 HB3 LYS 36 0.707 13.094 -10.640 270 HG2 LYS 36 HG2 LYS 36 -1.436 13.677 -9.237 271 HG3 LYS 36 HG3 LYS 36 -1.353 15.182 -10.155 272 HD2 LYS 36 HD2 LYS 36 -1.101 12.593 -11.611 273 HD3 LYS 36 HD3 LYS 36 -2.697 13.109 -11.063 274 HE2 LYS 36 HE2 LYS 36 -0.879 14.905 -12.645 275 HE3 LYS 36 HE3 LYS 36 -2.000 13.786 -13.418 276 HZ1 LYS 36 HZ1 LYS 36 -2.547 16.241 -11.943 277 HZ2 LYS 36 HZ2 LYS 36 -3.332 15.592 -13.294 278 HZ3 LYS 36 HZ3 LYS 36 -3.655 14.977 -11.751 279 H CYS 37 H CYS 37 1.798 11.677 -8.606 280 HA CYS 37 HA CYS 37 4.594 12.111 -8.169 281 HB2 CYS 37 HB2 CYS 37 3.049 9.577 -8.760 282 HB3 CYS 37 HB3 CYS 37 4.743 9.633 -8.282 283 H VAL 38 H VAL 38 5.894 12.768 -9.746 284 HA VAL 38 HA VAL 38 5.404 11.835 -12.488 285 HB VAL 38 HB VAL 38 6.978 13.647 -13.160 286 HG11 VAL 38 HG11 VAL 38 4.538 14.416 -11.568 287 HG12 VAL 38 HG12 VAL 38 5.408 15.519 -12.635 288 HG13 VAL 38 HG13 VAL 38 4.631 14.081 -13.297 289 HG21 VAL 38 HG21 VAL 38 7.552 13.678 -10.397 290 HG22 VAL 38 HG22 VAL 38 8.247 14.690 -11.664 291 HG23 VAL 38 HG23 VAL 38 6.814 15.232 -10.789 292 H ARG 39 H ARG 39 7.208 11.169 -13.798 293 HA ARG 39 HA ARG 39 8.992 9.432 -12.379 294 HB2 ARG 39 HB2 ARG 39 9.882 8.974 -14.713 295 HB3 ARG 39 HB3 ARG 39 8.185 8.603 -14.441 296 HG2 ARG 39 HG2 ARG 39 7.455 10.254 -15.821 297 HG3 ARG 39 HG3 ARG 39 8.846 11.291 -15.497 298 HD2 ARG 39 HD2 ARG 39 9.588 10.653 -17.505 299 HD3 ARG 39 HD3 ARG 39 9.982 9.119 -16.732 300 HE ARG 39 HE ARG 39 7.805 9.644 -18.563 301 HH11 ARG 39 HH11 ARG 39 9.151 7.500 -16.172 302 HH12 ARG 39 HH12 ARG 39 8.261 6.119 -16.721 303 HH21 ARG 39 HH21 ARG 39 6.628 7.832 -19.294 304 HH22 ARG 39 HH22 ARG 39 6.827 6.308 -18.497 305 H ALA 40 H ALA 40 10.431 10.616 -11.177 306 HA ALA 40 HA ALA 40 11.803 12.908 -12.062 307 HB1 ALA 40 HB1 ALA 40 13.474 11.926 -10.181 308 HB2 ALA 40 HB2 ALA 40 12.000 12.826 -9.820 309 HB3 ALA 40 HB3 ALA 40 11.990 11.063 -9.777 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.119 -0.679 -2.467 2 HA2 GLY 1 HA2 GLY 1 1.103 0.274 -0.145 3 HA3 GLY 1 HA3 GLY 1 2.837 -0.015 -0.156 4 H CYS 2 H CYS 2 3.990 1.045 -2.085 5 HA CYS 2 HA CYS 2 3.673 3.824 -1.879 6 HB2 CYS 2 HB2 CYS 2 5.310 3.945 -3.739 7 HB3 CYS 2 HB3 CYS 2 5.814 2.843 -2.462 8 H LYS 3 H LYS 3 3.335 5.316 -3.749 9 HA LYS 3 HA LYS 3 0.908 4.520 -5.168 10 HB2 LYS 3 HB2 LYS 3 2.059 7.285 -5.246 11 HB3 LYS 3 HB3 LYS 3 0.378 6.779 -5.346 12 HG2 LYS 3 HG2 LYS 3 0.914 5.945 -2.870 13 HG3 LYS 3 HG3 LYS 3 2.078 7.267 -2.980 14 HD2 LYS 3 HD2 LYS 3 0.472 8.812 -2.814 15 HD3 LYS 3 HD3 LYS 3 -0.529 8.008 -4.025 16 HE2 LYS 3 HE2 LYS 3 -1.404 6.498 -2.358 17 HE3 LYS 3 HE3 LYS 3 -0.316 7.160 -1.139 18 HZ1 LYS 3 HZ1 LYS 3 -1.472 9.198 -1.142 19 HZ2 LYS 3 HZ2 LYS 3 -2.351 8.801 -2.532 20 HZ3 LYS 3 HZ3 LYS 3 -2.663 7.997 -1.077 21 H ASN 4 H ASN 4 0.657 4.732 -7.402 22 HA ASN 4 HA ASN 4 3.077 4.315 -8.915 23 HB2 ASN 4 HB2 ASN 4 0.644 3.252 -9.179 24 HB3 ASN 4 HB3 ASN 4 0.443 4.619 -10.272 25 HD21 ASN 4 HD21 ASN 4 2.017 1.599 -9.720 26 HD22 ASN 4 HD22 ASN 4 2.719 1.436 -11.290 27 H LEU 5 H LEU 5 2.521 5.415 -11.361 28 HA LEU 5 HA LEU 5 3.417 8.077 -11.028 29 HB2 LEU 5 HB2 LEU 5 3.937 6.621 -12.969 30 HB3 LEU 5 HB3 LEU 5 2.266 6.797 -13.502 31 HG LEU 5 HG LEU 5 2.683 9.261 -13.698 32 HD11 LEU 5 HD11 LEU 5 4.819 8.929 -12.175 33 HD12 LEU 5 HD12 LEU 5 5.601 8.718 -13.742 34 HD13 LEU 5 HD13 LEU 5 4.728 10.209 -13.384 35 HD21 LEU 5 HD21 LEU 5 4.007 7.174 -15.354 36 HD22 LEU 5 HD22 LEU 5 2.683 8.267 -15.757 37 HD23 LEU 5 HD23 LEU 5 4.340 8.869 -15.710 38 H ASN 6 H ASN 6 2.384 10.036 -11.676 39 HA ASN 6 HA ASN 6 0.690 11.552 -11.579 40 HB2 ASN 6 HB2 ASN 6 -1.166 9.472 -12.698 41 HB3 ASN 6 HB3 ASN 6 -1.116 11.202 -13.026 42 HD21 ASN 6 HD21 ASN 6 -0.627 8.353 -14.410 43 HD22 ASN 6 HD22 ASN 6 0.617 8.749 -15.543 44 H SER 7 H SER 7 1.052 9.546 -9.375 45 HA SER 7 HA SER 7 -1.581 9.102 -8.302 46 HB2 SER 7 HB2 SER 7 1.217 8.601 -7.341 47 HB3 SER 7 HB3 SER 7 -0.128 8.512 -6.203 48 HG SER 7 HG SER 7 -1.094 6.987 -7.675 49 H HIS 8 H HIS 8 -2.684 10.314 -6.875 50 HA HIS 8 HA HIS 8 -1.995 13.018 -6.478 51 HB2 HIS 8 HB2 HIS 8 -4.125 11.204 -5.423 52 HB3 HIS 8 HB3 HIS 8 -3.890 12.772 -4.657 53 HD1 HIS 8 HD1 HIS 8 -5.167 14.630 -5.671 54 HD2 HIS 8 HD2 HIS 8 -4.567 11.520 -8.359 55 HE1 HIS 8 HE1 HIS 8 -6.430 15.282 -7.746 56 H CYS 9 H CYS 9 -0.322 13.653 -5.283 57 HA CYS 9 HA CYS 9 -0.096 12.609 -2.550 58 HB2 CYS 9 HB2 CYS 9 2.325 12.473 -2.725 59 HB3 CYS 9 HB3 CYS 9 1.582 11.459 -3.957 60 H TYR 10 H TYR 10 0.507 14.089 -1.017 61 HA TYR 10 HA TYR 10 0.185 16.851 -1.707 62 HB2 TYR 10 HB2 TYR 10 1.154 15.878 0.967 63 HB3 TYR 10 HB3 TYR 10 0.154 17.279 0.599 64 HD1 TYR 10 HD1 TYR 10 -0.150 14.668 2.486 65 HD2 TYR 10 HD2 TYR 10 -1.900 16.025 -1.147 66 HE1 TYR 10 HE1 TYR 10 -2.168 13.348 2.972 67 HE2 TYR 10 HE2 TYR 10 -3.923 14.710 -0.671 68 HH TYR 10 HH TYR 10 -4.953 13.773 1.870 69 H ARG 11 H ARG 11 1.696 18.530 -1.434 70 HA ARG 11 HA ARG 11 4.320 17.918 -2.309 71 HB2 ARG 11 HB2 ARG 11 4.750 20.331 -2.019 72 HB3 ARG 11 HB3 ARG 11 3.262 20.021 -2.903 73 HG2 ARG 11 HG2 ARG 11 2.444 21.577 -1.502 74 HG3 ARG 11 HG3 ARG 11 2.277 20.197 -0.415 75 HD2 ARG 11 HD2 ARG 11 4.795 20.874 0.154 76 HD3 ARG 11 HD3 ARG 11 4.196 22.453 -0.352 77 HE ARG 11 HE ARG 11 2.368 21.345 1.455 78 HH11 ARG 11 HH11 ARG 11 5.618 22.591 1.388 79 HH12 ARG 11 HH12 ARG 11 5.589 23.116 3.039 80 HH21 ARG 11 HH21 ARG 11 2.318 22.032 3.630 81 HH22 ARG 11 HH22 ARG 11 3.713 22.797 4.313 82 H GLN 12 H GLN 12 2.947 17.671 0.707 83 HA GLN 12 HA GLN 12 5.195 18.527 2.284 84 HB2 GLN 12 HB2 GLN 12 2.560 17.242 2.834 85 HB3 GLN 12 HB3 GLN 12 3.823 17.101 4.050 86 HG2 GLN 12 HG2 GLN 12 3.964 19.730 3.581 87 HG3 GLN 12 HG3 GLN 12 2.267 19.454 3.192 88 HE21 GLN 12 HE21 GLN 12 4.213 20.412 5.571 89 HE22 GLN 12 HE22 GLN 12 3.311 19.898 6.952 90 H HIS 13 H HIS 13 3.662 15.329 1.873 91 HA HIS 13 HA HIS 13 6.206 14.069 2.570 92 HB2 HIS 13 HB2 HIS 13 3.703 12.521 2.022 93 HB3 HIS 13 HB3 HIS 13 5.011 12.165 3.146 94 HD1 HIS 13 HD1 HIS 13 4.701 12.894 5.525 95 HD2 HIS 13 HD2 HIS 13 1.899 14.581 2.963 96 HE1 HIS 13 HE1 HIS 13 3.040 14.053 7.015 97 H ARG 14 H ARG 14 6.009 11.661 1.284 98 HA ARG 14 HA ARG 14 5.544 11.995 -1.525 99 HB2 ARG 14 HB2 ARG 14 8.133 11.311 -1.827 100 HB3 ARG 14 HB3 ARG 14 7.553 12.969 -1.912 101 HG2 ARG 14 HG2 ARG 14 9.530 12.828 -0.526 102 HG3 ARG 14 HG3 ARG 14 8.130 13.287 0.446 103 HD2 ARG 14 HD2 ARG 14 7.940 11.095 1.351 104 HD3 ARG 14 HD3 ARG 14 9.112 10.452 0.201 105 HE ARG 14 HE ARG 14 10.402 12.429 1.660 106 HH11 ARG 14 HH11 ARG 14 8.900 9.343 2.242 107 HH12 ARG 14 HH12 ARG 14 9.917 8.955 3.590 108 HH21 ARG 14 HH21 ARG 14 11.748 11.929 3.433 109 HH22 ARG 14 HH22 ARG 14 11.536 10.427 4.267 110 H GLU 15 H GLU 15 4.232 10.157 -0.758 111 HA GLU 15 HA GLU 15 5.671 7.710 -0.141 112 HB2 GLU 15 HB2 GLU 15 3.451 6.709 0.107 113 HB3 GLU 15 HB3 GLU 15 3.589 8.187 1.048 114 HG2 GLU 15 HG2 GLU 15 2.584 8.815 -1.549 115 HG3 GLU 15 HG3 GLU 15 1.629 7.510 -0.848 116 H CYS 16 H CYS 16 6.025 8.981 -2.755 117 HA CYS 16 HA CYS 16 4.604 7.389 -4.678 118 HB2 CYS 16 HB2 CYS 16 7.050 9.128 -5.059 119 HB3 CYS 16 HB3 CYS 16 6.015 8.496 -6.335 120 H CYS 17 H CYS 17 5.373 5.693 -5.908 121 HA CYS 17 HA CYS 17 7.048 3.838 -4.702 122 HB2 CYS 17 HB2 CYS 17 6.141 4.175 -7.554 123 HB3 CYS 17 HB3 CYS 17 7.174 2.835 -7.067 124 H HIS 18 H HIS 18 9.062 2.906 -5.789 125 HA HIS 18 HA HIS 18 11.114 4.843 -5.688 126 HB2 HIS 18 HB2 HIS 18 11.610 2.584 -5.047 127 HB3 HIS 18 HB3 HIS 18 11.113 1.970 -6.621 128 HD1 HIS 18 HD1 HIS 18 13.317 0.959 -7.320 129 HD2 HIS 18 HD2 HIS 18 13.649 4.948 -6.207 130 HE1 HIS 18 HE1 HIS 18 15.646 1.646 -7.970 131 H GLY 19 H GLY 19 11.622 6.285 -7.191 132 HA2 GLY 19 HA2 GLY 19 12.591 6.543 -9.444 133 HA3 GLY 19 HA3 GLY 19 11.291 5.514 -10.025 134 H LEU 20 H LEU 20 9.419 6.945 -8.124 135 HA LEU 20 HA LEU 20 8.904 9.224 -9.900 136 HB2 LEU 20 HB2 LEU 20 7.057 7.878 -7.935 137 HB3 LEU 20 HB3 LEU 20 6.619 9.142 -9.083 138 HG LEU 20 HG LEU 20 7.419 6.306 -9.726 139 HD11 LEU 20 HD11 LEU 20 5.221 6.129 -9.138 140 HD12 LEU 20 HD12 LEU 20 4.849 7.794 -9.588 141 HD13 LEU 20 HD13 LEU 20 5.045 6.565 -10.838 142 HD21 LEU 20 HD21 LEU 20 6.509 7.338 -12.050 143 HD22 LEU 20 HD22 LEU 20 7.328 8.745 -11.371 144 HD23 LEU 20 HD23 LEU 20 8.215 7.240 -11.614 145 H VAL 21 H VAL 21 8.000 11.194 -8.915 146 HA VAL 21 HA VAL 21 8.704 11.634 -6.116 147 HB VAL 21 HB VAL 21 9.989 13.640 -6.574 148 HG11 VAL 21 HG11 VAL 21 11.230 11.572 -6.383 149 HG12 VAL 21 HG12 VAL 21 11.002 11.244 -8.101 150 HG13 VAL 21 HG13 VAL 21 11.990 12.612 -7.588 151 HG21 VAL 21 HG21 VAL 21 8.865 14.260 -8.677 152 HG22 VAL 21 HG22 VAL 21 10.623 14.295 -8.820 153 HG23 VAL 21 HG23 VAL 21 9.710 12.947 -9.497 154 H CYS 22 H CYS 22 7.591 13.323 -5.139 155 HA CYS 22 HA CYS 22 5.103 14.023 -6.366 156 HB2 CYS 22 HB2 CYS 22 5.799 13.679 -3.813 157 HB3 CYS 22 HB3 CYS 22 6.031 15.422 -3.906 158 H ARG 23 H ARG 23 4.963 15.536 -7.882 159 HA ARG 23 HA ARG 23 6.155 18.150 -7.386 160 HB2 ARG 23 HB2 ARG 23 6.683 16.494 -9.854 161 HB3 ARG 23 HB3 ARG 23 6.946 18.231 -9.788 162 HG2 ARG 23 HG2 ARG 23 8.518 17.854 -7.895 163 HG3 ARG 23 HG3 ARG 23 8.336 16.118 -8.159 164 HD2 ARG 23 HD2 ARG 23 9.113 16.452 -10.495 165 HD3 ARG 23 HD3 ARG 23 9.413 18.147 -10.113 166 HE ARG 23 HE ARG 23 10.742 16.357 -8.320 167 HH11 ARG 23 HH11 ARG 23 10.928 17.894 -11.438 168 HH12 ARG 23 HH12 ARG 23 12.657 17.812 -11.520 169 HH21 ARG 23 HH21 ARG 23 13.018 16.243 -8.416 170 HH22 ARG 23 HH22 ARG 23 13.844 16.872 -9.801 171 H ARG 24 H ARG 24 5.099 19.858 -8.422 172 HA ARG 24 HA ARG 24 2.346 19.368 -9.031 173 HB2 ARG 24 HB2 ARG 24 2.263 21.830 -9.421 174 HB3 ARG 24 HB3 ARG 24 2.920 21.383 -7.853 175 HG2 ARG 24 HG2 ARG 24 5.182 21.756 -8.683 176 HG3 ARG 24 HG3 ARG 24 4.531 22.189 -10.266 177 HD2 ARG 24 HD2 ARG 24 3.119 23.862 -8.696 178 HD3 ARG 24 HD3 ARG 24 4.602 23.730 -7.751 179 HE ARG 24 HE ARG 24 5.210 24.227 -10.467 180 HH11 ARG 24 HH11 ARG 24 3.970 25.786 -7.612 181 HH12 ARG 24 HH12 ARG 24 4.513 27.363 -8.079 182 HH21 ARG 24 HH21 ARG 24 5.930 26.299 -11.093 183 HH22 ARG 24 HH22 ARG 24 5.626 27.654 -10.060 184 HA PRO 25 HA PRO 25 2.467 18.982 -13.402 185 HB2 PRO 25 HB2 PRO 25 0.136 20.186 -14.101 186 HB3 PRO 25 HB3 PRO 25 0.203 18.606 -13.311 187 HG2 PRO 25 HG2 PRO 25 -0.329 21.299 -12.118 188 HG3 PRO 25 HG3 PRO 25 -1.145 19.756 -11.805 189 HD2 PRO 25 HD2 PRO 25 0.739 20.771 -10.145 190 HD3 PRO 25 HD3 PRO 25 0.512 19.026 -10.378 191 H ASN 26 H ASN 26 1.336 22.220 -12.407 192 HA ASN 26 HA ASN 26 1.886 24.310 -13.117 193 HB2 ASN 26 HB2 ASN 26 4.220 23.374 -12.671 194 HB3 ASN 26 HB3 ASN 26 4.335 23.111 -14.409 195 HD21 ASN 26 HD21 ASN 26 3.850 25.560 -11.933 196 HD22 ASN 26 HD22 ASN 26 4.468 26.881 -12.860 197 H TYR 27 H TYR 27 0.014 23.224 -14.625 198 HA TYR 27 HA TYR 27 0.391 24.468 -17.167 199 HB2 TYR 27 HB2 TYR 27 1.524 22.388 -17.687 200 HB3 TYR 27 HB3 TYR 27 0.167 21.454 -17.068 201 HD1 TYR 27 HD1 TYR 27 0.822 24.130 -19.599 202 HD2 TYR 27 HD2 TYR 27 -1.301 20.578 -18.612 203 HE1 TYR 27 HE1 TYR 27 -0.183 24.114 -21.844 204 HE2 TYR 27 HE2 TYR 27 -2.311 20.551 -20.855 205 HH TYR 27 HH TYR 27 -2.353 23.138 -22.882 206 H GLY 28 H GLY 28 -1.455 25.611 -16.931 207 HA2 GLY 28 HA2 GLY 28 -3.833 25.252 -17.741 208 HA3 GLY 28 HA3 GLY 28 -3.937 24.096 -16.422 209 H ASN 29 H ASN 29 -5.809 25.562 -15.921 210 HA ASN 29 HA ASN 29 -4.992 27.395 -13.844 211 HB2 ASN 29 HB2 ASN 29 -6.437 28.340 -16.317 212 HB3 ASN 29 HB3 ASN 29 -6.523 29.214 -14.791 213 HD21 ASN 29 HD21 ASN 29 -4.116 29.253 -13.788 214 HD22 ASN 29 HD22 ASN 29 -2.965 29.959 -14.866 215 H GLY 30 H GLY 30 -6.694 27.939 -12.396 216 HA2 GLY 30 HA2 GLY 30 -9.297 27.698 -12.334 217 HA3 GLY 30 HA3 GLY 30 -8.889 25.996 -12.492 218 H ARG 31 H ARG 31 -8.751 24.893 -10.661 219 HA ARG 31 HA ARG 31 -7.615 26.101 -8.285 220 HB2 ARG 31 HB2 ARG 31 -9.586 25.465 -6.884 221 HB3 ARG 31 HB3 ARG 31 -9.895 26.788 -8.000 222 HG2 ARG 31 HG2 ARG 31 -10.970 25.192 -9.544 223 HG3 ARG 31 HG3 ARG 31 -10.727 23.916 -8.349 224 HD2 ARG 31 HD2 ARG 31 -12.201 24.932 -6.817 225 HD3 ARG 31 HD3 ARG 31 -12.198 26.455 -7.704 226 HE ARG 31 HE ARG 31 -13.227 24.671 -9.476 227 HH11 ARG 31 HH11 ARG 31 -14.016 25.583 -6.211 228 HH12 ARG 31 HH12 ARG 31 -15.707 25.246 -6.387 229 HH21 ARG 31 HH21 ARG 31 -15.450 24.224 -9.721 230 HH22 ARG 31 HH22 ARG 31 -16.521 24.473 -8.384 231 H GLY 32 H GLY 32 -7.873 24.372 -6.397 232 HA2 GLY 32 HA2 GLY 32 -7.724 22.128 -5.721 233 HA3 GLY 32 HA3 GLY 32 -7.732 21.641 -7.409 234 H ILE 33 H ILE 33 -5.749 22.957 -4.819 235 HA ILE 33 HA ILE 33 -3.314 22.688 -6.360 236 HB ILE 33 HB ILE 33 -3.483 23.213 -3.401 237 HG12 ILE 33 HG12 ILE 33 -4.967 24.796 -4.569 238 HG13 ILE 33 HG13 ILE 33 -3.550 25.605 -3.908 239 HG21 ILE 33 HG21 ILE 33 -1.404 23.333 -5.480 240 HG22 ILE 33 HG22 ILE 33 -1.428 24.684 -4.347 241 HG23 ILE 33 HG23 ILE 33 -1.264 23.034 -3.748 242 HD11 ILE 33 HD11 ILE 33 -3.121 26.443 -5.903 243 HD12 ILE 33 HD12 ILE 33 -2.923 24.813 -6.545 244 HD13 ILE 33 HD13 ILE 33 -4.508 25.586 -6.575 245 H LEU 34 H LEU 34 -2.900 20.574 -6.798 246 HA LEU 34 HA LEU 34 -2.184 18.899 -4.516 247 HB2 LEU 34 HB2 LEU 34 -3.769 17.727 -6.775 248 HB3 LEU 34 HB3 LEU 34 -3.420 17.028 -5.196 249 HG LEU 34 HG LEU 34 -5.197 19.430 -5.552 250 HD11 LEU 34 HD11 LEU 34 -6.691 17.101 -4.939 251 HD12 LEU 34 HD12 LEU 34 -6.815 18.148 -6.353 252 HD13 LEU 34 HD13 LEU 34 -5.722 16.765 -6.374 253 HD21 LEU 34 HD21 LEU 34 -4.051 18.575 -3.312 254 HD22 LEU 34 HD22 LEU 34 -5.690 19.225 -3.342 255 HD23 LEU 34 HD23 LEU 34 -5.434 17.480 -3.330 256 H TRP 35 H TRP 35 -0.412 17.661 -4.860 257 HA TRP 35 HA TRP 35 0.916 17.972 -7.447 258 HB2 TRP 35 HB2 TRP 35 1.897 17.172 -4.710 259 HB3 TRP 35 HB3 TRP 35 2.893 16.991 -6.151 260 HD1 TRP 35 HD1 TRP 35 0.660 20.062 -5.829 261 HE1 TRP 35 HE1 TRP 35 2.145 22.141 -5.518 262 HE3 TRP 35 HE3 TRP 35 5.178 17.749 -5.216 263 HZ2 TRP 35 HZ2 TRP 35 4.870 22.724 -5.073 264 HZ3 TRP 35 HZ3 TRP 35 7.175 19.140 -4.853 265 HH2 TRP 35 HH2 TRP 35 7.022 21.576 -4.784 266 H LYS 36 H LYS 36 1.792 16.210 -8.586 267 HA LYS 36 HA LYS 36 0.629 13.596 -7.876 268 HB2 LYS 36 HB2 LYS 36 0.653 13.148 -10.365 269 HB3 LYS 36 HB3 LYS 36 -0.515 14.345 -9.819 270 HG2 LYS 36 HG2 LYS 36 2.141 15.329 -10.686 271 HG3 LYS 36 HG3 LYS 36 1.040 14.732 -11.929 272 HD2 LYS 36 HD2 LYS 36 -0.004 16.628 -9.881 273 HD3 LYS 36 HD3 LYS 36 1.011 17.258 -11.180 274 HE2 LYS 36 HE2 LYS 36 -1.072 17.455 -12.124 275 HE3 LYS 36 HE3 LYS 36 -0.597 15.859 -12.701 276 HZ1 LYS 36 HZ1 LYS 36 -2.871 16.483 -11.300 277 HZ2 LYS 36 HZ2 LYS 36 -2.277 14.931 -11.616 278 HZ3 LYS 36 HZ3 LYS 36 -1.882 15.709 -10.166 279 H CYS 37 H CYS 37 1.852 11.725 -8.431 280 HA CYS 37 HA CYS 37 4.668 12.072 -8.043 281 HB2 CYS 37 HB2 CYS 37 3.033 9.593 -8.619 282 HB3 CYS 37 HB3 CYS 37 4.740 9.590 -8.187 283 H VAL 38 H VAL 38 5.952 12.711 -9.642 284 HA VAL 38 HA VAL 38 5.390 11.794 -12.378 285 HB VAL 38 HB VAL 38 6.991 13.592 -13.067 286 HG11 VAL 38 HG11 VAL 38 5.415 15.466 -12.562 287 HG12 VAL 38 HG12 VAL 38 4.647 14.025 -13.229 288 HG13 VAL 38 HG13 VAL 38 4.535 14.365 -11.502 289 HG21 VAL 38 HG21 VAL 38 8.218 13.745 -10.943 290 HG22 VAL 38 HG22 VAL 38 7.596 15.313 -11.460 291 HG23 VAL 38 HG23 VAL 38 6.782 14.422 -10.173 292 H ARG 39 H ARG 39 7.162 11.113 -13.723 293 HA ARG 39 HA ARG 39 8.946 9.346 -12.353 294 HB2 ARG 39 HB2 ARG 39 9.780 8.829 -14.647 295 HB3 ARG 39 HB3 ARG 39 8.040 8.647 -14.465 296 HG2 ARG 39 HG2 ARG 39 8.219 11.222 -15.311 297 HG3 ARG 39 HG3 ARG 39 9.580 10.476 -16.153 298 HD2 ARG 39 HD2 ARG 39 8.135 8.821 -17.130 299 HD3 ARG 39 HD3 ARG 39 6.768 9.390 -16.172 300 HE ARG 39 HE ARG 39 6.415 10.997 -17.746 301 HH11 ARG 39 HH11 ARG 39 9.708 9.900 -18.006 302 HH12 ARG 39 HH12 ARG 39 10.050 10.848 -19.416 303 HH21 ARG 39 HH21 ARG 39 6.853 12.250 -19.602 304 HH22 ARG 39 HH22 ARG 39 8.426 12.185 -20.322 305 H ALA 40 H ALA 40 10.418 10.471 -11.141 306 HA ALA 40 HA ALA 40 11.804 12.774 -11.975 307 HB1 ALA 40 HB1 ALA 40 11.992 12.606 -9.731 308 HB2 ALA 40 HB2 ALA 40 12.029 10.843 -9.756 309 HB3 ALA 40 HB3 ALA 40 13.484 11.761 -10.142
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