NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
600269 | 2naj | 25939 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 -4.894 2.178 8.907 2 HB2 ASN 1 1HB ASN 1 -4.721 0.766 11.074 3 HB3 ASN 1 2HB ASN 1 -2.978 0.851 10.820 4 HD21 ASN 1 1HD2 ASN 1 -3.050 3.904 12.594 5 HD22 ASN 1 2HD2 ASN 1 -2.468 2.310 12.536 6 H CYS 2 H CYS 2 -1.891 0.294 9.327 7 HA CYS 2 HA CYS 2 -0.601 2.016 7.318 8 HB2 CYS 2 2HB CYS 2 0.420 1.222 10.019 9 HB3 CYS 2 1HB CYS 2 1.502 1.752 8.759 10 H ALA 3 H ALA 3 1.298 1.101 6.331 11 HA ALA 3 HA ALA 3 1.546 -1.822 6.477 12 HB1 ALA 3 3HB ALA 3 0.221 -0.433 4.344 13 HB2 ALA 3 1HB ALA 3 0.519 -2.165 4.516 14 HB3 ALA 3 2HB ALA 3 1.726 -1.134 3.737 15 H LYS 4 H LYS 4 3.497 -2.623 5.553 16 HA LYS 4 HA LYS 4 5.616 -0.585 5.451 17 HB2 LYS 4 1HB LYS 4 5.797 -3.570 5.895 18 HB3 LYS 4 2HB LYS 4 7.151 -2.437 5.923 19 HG2 LYS 4 1HG LYS 4 5.964 -1.180 7.750 20 HG3 LYS 4 2HG LYS 4 4.770 -2.476 7.794 21 HD2 LYS 4 1HD LYS 4 6.555 -4.108 8.272 22 HD3 LYS 4 2HD LYS 4 7.739 -2.801 8.237 23 HE2 LYS 4 1HE LYS 4 6.572 -1.693 10.115 24 HE3 LYS 4 2HE LYS 4 5.400 -3.011 10.157 25 HZ1 LYS 4 3HZ LYS 4 8.309 -3.482 10.421 26 HZ2 LYS 4 1HZ LYS 4 7.036 -4.530 10.817 27 HZ3 LYS 4 2HZ LYS 4 7.325 -3.151 11.765 28 H GLU 5 H GLU 5 6.983 -0.464 3.695 29 HA GLU 5 HA GLU 5 6.185 -0.822 1.160 30 HB2 GLU 5 1HB GLU 5 8.313 0.276 1.859 31 HB3 GLU 5 2HB GLU 5 9.023 -1.321 2.100 32 HG2 GLU 5 1HG GLU 5 8.615 -1.866 -0.257 33 HG3 GLU 5 2HG GLU 5 7.888 -0.283 -0.504 34 H GLY 6 H GLY 6 5.575 -2.490 -0.042 35 HA2 GLY 6 1HA GLY 6 6.034 -4.602 -1.100 36 HA3 GLY 6 2HA GLY 6 6.848 -5.121 0.372 37 H GLU 7 H GLU 7 4.106 -3.450 1.230 38 HA GLU 7 HA GLU 7 2.686 -5.942 1.819 39 HB2 GLU 7 1HB GLU 7 2.551 -3.133 2.858 40 HB3 GLU 7 2HB GLU 7 1.175 -4.214 3.082 41 HG2 GLU 7 1HG GLU 7 4.002 -4.975 3.847 42 HG3 GLU 7 2HG GLU 7 2.879 -4.213 4.973 43 H VAL 8 H VAL 8 0.392 -6.115 1.416 44 HA VAL 8 HA VAL 8 -0.320 -5.020 -1.192 45 HB VAL 8 HB VAL 8 -0.863 -7.278 -1.085 46 HG11 VAL 8 1HG1 VAL 8 -2.283 -8.033 1.034 47 HG12 VAL 8 2HG1 VAL 8 -1.490 -6.641 1.772 48 HG13 VAL 8 3HG1 VAL 8 -0.522 -7.956 1.109 49 HG21 VAL 8 3HG2 VAL 8 -3.456 -6.164 -0.023 50 HG22 VAL 8 1HG2 VAL 8 -3.211 -7.372 -1.284 51 HG23 VAL 8 2HG2 VAL 8 -2.847 -5.676 -1.605 52 H CYS 9 H CYS 9 -1.530 -3.274 -1.450 53 HA CYS 9 HA CYS 9 -3.136 -2.324 0.844 54 HB2 CYS 9 2HB CYS 9 -2.440 -0.239 0.363 55 HB3 CYS 9 1HB CYS 9 -1.184 -1.028 -0.580 56 H GLY 10 H GLY 10 -5.161 -1.248 0.313 57 HA2 GLY 10 1HA GLY 10 -7.070 -0.856 -0.980 58 HA3 GLY 10 2HA GLY 10 -6.316 -1.727 -2.314 59 H TRP 11 H TRP 11 -5.683 -3.777 -0.022 60 HA TRP 11 HA TRP 11 -8.321 -4.959 0.223 61 HB2 TRP 11 2HB TRP 11 -6.011 -6.577 -0.788 62 HB3 TRP 11 1HB TRP 11 -7.704 -7.027 -0.724 63 HD1 TRP 11 1HD TRP 11 -5.206 -5.634 -2.995 64 HE1 TRP 11 1HE TRP 11 -6.319 -4.684 -5.114 65 HE3 TRP 11 3HE TRP 11 -10.005 -5.522 -1.413 66 HZ2 TRP 11 2HZ TRP 11 -8.952 -3.941 -6.007 67 HZ3 TRP 11 3HZ TRP 11 -11.825 -4.687 -2.895 68 HH2 TRP 11 2HH TRP 11 -11.298 -3.893 -5.190 69 H GLY 12 H GLY 12 -5.259 -4.281 1.394 70 HA2 GLY 12 1HA GLY 12 -5.768 -5.883 3.816 71 HA3 GLY 12 2HA GLY 12 -4.185 -5.947 3.046 72 H SER 13 H SER 13 -3.943 -3.229 2.301 73 HA SER 13 HA SER 13 -4.165 -1.734 4.817 74 HB2 SER 13 1HB SER 13 -1.880 -2.991 4.476 75 HB3 SER 13 2HB SER 13 -1.561 -1.675 3.350 76 HG SER 13 HG SER 13 -1.864 -0.218 5.013 77 H LYS 14 H LYS 14 -2.765 0.497 4.178 78 HA LYS 14 HA LYS 14 -3.509 1.417 1.525 79 HB2 LYS 14 1HB LYS 14 -4.897 3.264 2.361 80 HB3 LYS 14 2HB LYS 14 -5.602 1.698 2.766 81 HG2 LYS 14 1HG LYS 14 -4.610 1.843 5.028 82 HG3 LYS 14 2HG LYS 14 -3.938 3.423 4.628 83 HD2 LYS 14 1HD LYS 14 -6.211 4.293 4.225 84 HD3 LYS 14 2HD LYS 14 -6.885 2.714 4.634 85 HE2 LYS 14 1HE LYS 14 -5.914 2.878 6.894 86 HE3 LYS 14 2HE LYS 14 -5.232 4.453 6.489 87 HZ1 LYS 14 3HZ LYS 14 -7.944 4.490 5.830 88 HZ2 LYS 14 1HZ LYS 14 -7.148 5.379 7.035 89 HZ3 LYS 14 2HZ LYS 14 -7.813 3.859 7.403 90 H CYS 15 H CYS 15 -1.007 1.096 2.896 91 HA CYS 15 HA CYS 15 0.952 2.216 3.303 92 HB2 CYS 15 2HB CYS 15 -0.538 4.219 1.620 93 HB3 CYS 15 1HB CYS 15 1.069 4.532 2.226 94 H CYS 16 H CYS 16 1.751 3.124 5.083 95 HA CYS 16 HA CYS 16 0.048 4.161 7.059 96 HB2 CYS 16 2HB CYS 16 2.429 3.139 7.265 97 HB3 CYS 16 1HB CYS 16 2.966 4.793 7.015 98 H HIS 17 H HIS 17 2.279 5.788 4.842 99 HA HIS 17 HA HIS 17 0.781 8.041 4.358 100 HB2 HIS 17 1HB HIS 17 1.984 8.107 7.032 101 HB3 HIS 17 2HB HIS 17 2.391 9.505 6.041 102 HD1 HIS 17 HD1 HIS 17 -0.054 8.565 8.379 103 HD2 HIS 17 HD2 HIS 17 -0.268 10.381 4.633 104 HE1 HIS 17 HE1 HIS 17 -2.300 9.730 8.276 105 H GLY 18 H GLY 18 3.874 6.672 4.975 106 HA2 GLY 18 1HA GLY 18 5.255 8.607 3.246 107 HA3 GLY 18 2HA GLY 18 6.020 7.334 4.192 108 H LEU 19 H LEU 19 3.432 5.929 2.787 109 HA LEU 19 HA LEU 19 4.967 5.074 0.422 110 HB2 LEU 19 1HB LEU 19 3.095 3.505 2.193 111 HB3 LEU 19 2HB LEU 19 3.742 2.902 0.675 112 HG LEU 19 HG LEU 19 5.501 3.885 2.944 113 HD11 LEU 19 1HD1 LEU 19 5.137 0.981 2.289 114 HD12 LEU 19 2HD1 LEU 19 3.969 1.767 3.351 115 HD13 LEU 19 3HD1 LEU 19 5.672 1.723 3.794 116 HD21 LEU 19 3HD2 LEU 19 7.080 2.244 1.633 117 HD22 LEU 19 1HD2 LEU 19 6.812 3.859 0.994 118 HD23 LEU 19 2HD2 LEU 19 5.946 2.485 0.310 119 H ASP 20 H ASP 20 3.779 4.567 -1.441 120 HA ASP 20 HA ASP 20 1.250 6.050 -1.673 121 HB2 ASP 20 1HB ASP 20 3.172 6.734 -3.137 122 HB3 ASP 20 2HB ASP 20 3.102 5.129 -3.870 123 H CYS 21 H CYS 21 -0.510 4.777 -1.616 124 HA CYS 21 HA CYS 21 -0.277 2.091 -2.780 125 HB2 CYS 21 2HB CYS 21 -1.005 1.483 -0.741 126 HB3 CYS 21 1HB CYS 21 -1.635 3.094 -0.385 127 HA PRO 22 HA PRO 22 -3.145 4.068 -5.700 128 HB2 PRO 22 2HB PRO 22 -2.645 2.383 -7.777 129 HB3 PRO 22 1HB PRO 22 -1.558 3.716 -7.347 130 HG2 PRO 22 2HG PRO 22 -1.289 0.814 -6.789 131 HG3 PRO 22 1HG PRO 22 -0.050 2.004 -7.178 132 HD2 PRO 22 2HD PRO 22 -0.592 1.057 -4.659 133 HD3 PRO 22 1HD PRO 22 0.242 2.583 -5.014 134 H LEU 23 H LEU 23 -5.149 3.448 -6.629 135 HA LEU 23 HA LEU 23 -6.365 1.156 -5.296 136 HB2 LEU 23 1HB LEU 23 -7.312 3.686 -6.514 137 HB3 LEU 23 2HB LEU 23 -8.393 2.300 -6.664 138 HG LEU 23 HG LEU 23 -8.453 1.987 -4.277 139 HD11 LEU 23 1HD1 LEU 23 -6.377 2.383 -3.336 140 HD12 LEU 23 2HD1 LEU 23 -7.131 3.934 -2.972 141 HD13 LEU 23 3HD1 LEU 23 -6.068 3.783 -4.366 142 HD21 LEU 23 3HD2 LEU 23 -8.567 4.964 -4.825 143 HD22 LEU 23 1HD2 LEU 23 -9.445 4.089 -3.569 144 HD23 LEU 23 2HD2 LEU 23 -9.844 3.828 -5.268 145 H ALA 24 H ALA 24 -5.969 -0.668 -6.323 146 HA ALA 24 HA ALA 24 -6.944 -0.997 -9.042 147 HB1 ALA 24 3HB ALA 24 -4.642 -0.417 -9.474 148 HB2 ALA 24 1HB ALA 24 -4.831 -2.152 -9.733 149 HB3 ALA 24 2HB ALA 24 -4.081 -1.558 -8.250 150 H PHE 25 H PHE 25 -6.323 -3.454 -9.645 151 HA PHE 25 HA PHE 25 -7.876 -5.097 -7.973 152 HB2 PHE 25 2HB PHE 25 -7.596 -5.635 -10.312 153 HB3 PHE 25 1HB PHE 25 -5.855 -5.817 -10.103 154 HD1 PHE 25 1HD PHE 25 -9.147 -7.203 -9.025 155 HD2 PHE 25 2HD PHE 25 -4.917 -7.856 -9.359 156 HE1 PHE 25 1HE PHE 25 -9.461 -9.576 -8.373 157 HE2 PHE 25 2HE PHE 25 -5.229 -10.226 -8.707 158 HZ PHE 25 HZ PHE 25 -7.502 -11.089 -8.213 159 H ILE 26 H ILE 26 -4.332 -4.977 -8.412 160 HA ILE 26 HA ILE 26 -4.041 -6.045 -5.692 161 HB ILE 26 HB ILE 26 -3.770 -7.921 -7.253 162 HG12 ILE 26 1HG1 ILE 26 -1.060 -7.136 -6.220 163 HG13 ILE 26 2HG1 ILE 26 -2.370 -7.581 -5.123 164 HG21 ILE 26 1HG2 ILE 26 -1.220 -7.003 -8.342 165 HG22 ILE 26 2HG2 ILE 26 -2.575 -6.015 -8.888 166 HG23 ILE 26 3HG2 ILE 26 -2.583 -7.756 -9.171 167 HD11 ILE 26 3HD1 ILE 26 -2.583 -9.741 -6.151 168 HD12 ILE 26 1HD1 ILE 26 -0.873 -9.499 -5.789 169 HD13 ILE 26 2HD1 ILE 26 -1.465 -9.294 -7.440 170 HA PRO 27 HA PRO 27 -1.196 -2.523 -6.415 171 HB2 PRO 27 2HB PRO 27 -2.336 -0.886 -4.501 172 HB3 PRO 27 1HB PRO 27 -2.738 -0.874 -6.222 173 HG2 PRO 27 2HG PRO 27 -4.374 -1.700 -4.028 174 HG3 PRO 27 1HG PRO 27 -4.779 -1.614 -5.742 175 HD2 PRO 27 2HD PRO 27 -4.077 -3.967 -4.163 176 HD3 PRO 27 1HD PRO 27 -4.859 -3.850 -5.745 177 H TYR 28 H TYR 28 0.556 -1.895 -5.128 178 HA TYR 28 HA TYR 28 0.698 -3.062 -2.418 179 HB2 TYR 28 2HB TYR 28 2.489 -3.441 -4.754 180 HB3 TYR 28 1HB TYR 28 3.266 -3.235 -3.184 181 HD1 TYR 28 1HD TYR 28 0.372 -5.098 -4.729 182 HD2 TYR 28 2HD TYR 28 3.575 -5.121 -1.858 183 HE1 TYR 28 1HE TYR 28 -0.179 -7.442 -4.125 184 HE2 TYR 28 2HE TYR 28 3.028 -7.461 -1.261 185 HH TYR 28 HH TYR 28 1.860 -9.445 -2.487 186 H CYS 29 H CYS 29 1.794 -1.881 -0.882 187 HA CYS 29 HA CYS 29 1.945 0.931 -1.312 188 HB2 CYS 29 2HB CYS 29 2.423 -0.932 0.952 189 HB3 CYS 29 1HB CYS 29 3.209 0.644 1.030 190 H GLU 30 H GLU 30 3.550 2.056 -2.157 191 HA GLU 30 HA GLU 30 6.315 1.117 -1.754 192 HB2 GLU 30 1HB GLU 30 6.855 1.496 -4.117 193 HB3 GLU 30 2HB GLU 30 5.606 0.261 -3.955 194 HG2 GLU 30 1HG GLU 30 3.890 2.083 -4.295 195 HG3 GLU 30 2HG GLU 30 5.218 3.170 -4.694 196 H LYS 31 H LYS 31 7.873 2.765 -1.808 197 HA LYS 31 HA LYS 31 7.096 5.266 -0.812 198 HB2 LYS 31 1HB LYS 31 9.652 4.520 -2.270 199 HB3 LYS 31 2HB LYS 31 9.413 5.957 -1.283 200 HG2 LYS 31 1HG LYS 31 8.807 3.313 -0.047 201 HG3 LYS 31 2HG LYS 31 10.498 3.764 -0.257 202 HD2 LYS 31 1HD LYS 31 10.140 5.846 0.963 203 HD3 LYS 31 2HD LYS 31 8.421 5.499 1.115 204 HE2 LYS 31 1HE LYS 31 9.580 4.896 3.189 205 HE3 LYS 31 2HE LYS 31 8.971 3.443 2.397 206 HZ1 LYS 31 3HZ LYS 31 11.744 4.483 2.176 207 HZ2 LYS 31 1HZ LYS 31 11.152 3.063 1.461 208 HZ3 LYS 31 2HZ LYS 31 11.261 3.180 3.153 209 H TYR 32 H TYR 32 6.718 7.235 -1.726 210 HA TYR 32 HA TYR 32 5.759 7.341 -4.390 211 HB2 TYR 32 2HB TYR 32 4.912 8.826 -2.633 212 HB3 TYR 32 1HB TYR 32 6.495 9.593 -2.506 213 HD1 TYR 32 1HD TYR 32 3.693 8.916 -4.871 214 HD2 TYR 32 2HD TYR 32 7.124 11.341 -3.976 215 HE1 TYR 32 1HE TYR 32 3.096 10.447 -6.730 216 HE2 TYR 32 2HE TYR 32 6.528 12.872 -5.834 217 HH TYR 32 HH TYR 32 4.401 13.503 -7.084 218 H ARG 33 H ARG 33 6.757 7.770 -6.259 219 HA ARG 33 HA ARG 33 9.504 8.857 -6.181 220 HB2 ARG 33 1HB ARG 33 9.988 7.439 -8.147 221 HB3 ARG 33 2HB ARG 33 9.572 6.480 -6.729 222 HG2 ARG 33 1HG ARG 33 7.238 6.305 -7.561 223 HG3 ARG 33 2HG ARG 33 7.703 7.208 -9.003 224 HD2 ARG 33 1HD ARG 33 9.243 5.480 -9.678 225 HD3 ARG 33 2HD ARG 33 9.029 4.623 -8.155 226 HE ARG 33 HE ARG 33 6.998 3.787 -8.952 227 HH11 ARG 33 1HH1 ARG 33 5.527 3.382 -10.627 228 HH12 ARG 33 2HH1 ARG 33 5.591 4.326 -12.077 229 HH21 ARG 33 2HH2 ARG 33 7.139 5.958 -12.296 230 HH22 ARG 33 1HH2 ARG 33 8.263 6.264 -11.013 Start of MODEL 2 1 HA ASN 1 HA ASN 1 1.402 -0.785 12.732 2 HB2 ASN 1 1HB ASN 1 1.270 -3.122 12.027 3 HB3 ASN 1 2HB ASN 1 0.837 -2.983 13.731 4 HD21 ASN 1 1HD2 ASN 1 -1.742 -5.092 11.996 5 HD22 ASN 1 2HD2 ASN 1 -0.058 -5.208 12.178 6 H CYS 2 H CYS 2 1.820 -0.481 10.594 7 HA CYS 2 HA CYS 2 -0.481 -0.282 8.758 8 HB2 CYS 2 2HB CYS 2 1.168 1.494 7.687 9 HB3 CYS 2 1HB CYS 2 0.022 1.940 8.947 10 H ALA 3 H ALA 3 0.400 -0.155 6.401 11 HA ALA 3 HA ALA 3 1.728 -2.627 5.887 12 HB1 ALA 3 3HB ALA 3 1.812 -1.377 3.492 13 HB2 ALA 3 1HB ALA 3 0.533 -0.446 4.278 14 HB3 ALA 3 2HB ALA 3 0.369 -2.195 4.107 15 H LYS 4 H LYS 4 3.760 -3.029 5.153 16 HA LYS 4 HA LYS 4 5.699 -0.820 5.379 17 HB2 LYS 4 1HB LYS 4 6.120 -3.802 5.589 18 HB3 LYS 4 2HB LYS 4 7.369 -2.568 5.768 19 HG2 LYS 4 1HG LYS 4 6.004 -1.572 7.632 20 HG3 LYS 4 2HG LYS 4 4.933 -2.966 7.519 21 HD2 LYS 4 1HD LYS 4 6.833 -4.475 7.950 22 HD3 LYS 4 2HD LYS 4 7.902 -3.074 8.058 23 HE2 LYS 4 1HE LYS 4 6.592 -2.221 9.972 24 HE3 LYS 4 2HE LYS 4 5.532 -3.628 9.870 25 HZ1 LYS 4 3HZ LYS 4 8.100 -3.390 11.075 26 HZ2 LYS 4 1HZ LYS 4 8.079 -4.647 9.937 27 HZ3 LYS 4 2HZ LYS 4 6.958 -4.640 11.213 28 H GLU 5 H GLU 5 7.020 -0.361 3.682 29 HA GLU 5 HA GLU 5 6.418 -0.531 1.109 30 HB2 GLU 5 1HB GLU 5 8.471 0.552 2.050 31 HB3 GLU 5 2HB GLU 5 9.234 -1.037 2.099 32 HG2 GLU 5 1HG GLU 5 8.906 -1.270 -0.327 33 HG3 GLU 5 2HG GLU 5 8.149 0.316 -0.382 34 H GLY 6 H GLY 6 5.780 -2.112 -0.168 35 HA2 GLY 6 1HA GLY 6 6.302 -4.070 -1.463 36 HA3 GLY 6 2HA GLY 6 7.235 -4.677 -0.100 37 H GLU 7 H GLU 7 4.406 -3.280 1.026 38 HA GLU 7 HA GLU 7 3.162 -5.926 1.343 39 HB2 GLU 7 1HB GLU 7 2.974 -3.350 2.886 40 HB3 GLU 7 2HB GLU 7 1.745 -4.602 3.061 41 HG2 GLU 7 1HG GLU 7 4.712 -5.106 3.406 42 HG3 GLU 7 2HG GLU 7 3.622 -4.749 4.740 43 H VAL 8 H VAL 8 0.910 -6.200 1.025 44 HA VAL 8 HA VAL 8 -0.097 -4.810 -1.274 45 HB VAL 8 HB VAL 8 -0.619 -7.116 -1.163 46 HG11 VAL 8 1HG1 VAL 8 -1.987 -7.970 0.828 47 HG12 VAL 8 2HG1 VAL 8 -1.548 -6.470 1.643 48 HG13 VAL 8 3HG1 VAL 8 -0.292 -7.607 1.152 49 HG21 VAL 8 3HG2 VAL 8 -3.210 -5.987 -0.166 50 HG22 VAL 8 1HG2 VAL 8 -2.910 -7.035 -1.551 51 HG23 VAL 8 2HG2 VAL 8 -2.513 -5.319 -1.642 52 H CYS 9 H CYS 9 -1.724 -3.331 -1.423 53 HA CYS 9 HA CYS 9 -3.174 -2.567 1.017 54 HB2 CYS 9 2HB CYS 9 -2.095 -0.625 1.284 55 HB3 CYS 9 1HB CYS 9 -0.988 -1.093 0.006 56 H GLY 10 H GLY 10 -4.877 -0.858 0.443 57 HA2 GLY 10 1HA GLY 10 -6.430 0.062 -1.077 58 HA3 GLY 10 2HA GLY 10 -5.820 -1.026 -2.323 59 H TRP 11 H TRP 11 -5.952 -3.105 0.018 60 HA TRP 11 HA TRP 11 -8.823 -3.490 0.102 61 HB2 TRP 11 2HB TRP 11 -7.024 -5.690 -0.837 62 HB3 TRP 11 1HB TRP 11 -8.776 -5.666 -0.812 63 HD1 TRP 11 1HD TRP 11 -5.955 -5.028 -3.020 64 HE1 TRP 11 1HE TRP 11 -6.714 -3.803 -5.162 65 HE3 TRP 11 3HE TRP 11 -10.560 -3.568 -1.532 66 HZ2 TRP 11 2HZ TRP 11 -9.020 -2.368 -6.103 67 HZ3 TRP 11 3HZ TRP 11 -12.041 -2.265 -3.047 68 HH2 TRP 11 2HH TRP 11 -11.274 -1.662 -5.327 69 H GLY 12 H GLY 12 -5.773 -3.679 1.458 70 HA2 GLY 12 1HA GLY 12 -6.845 -5.037 3.841 71 HA3 GLY 12 2HA GLY 12 -5.332 -5.610 3.143 72 H SER 13 H SER 13 -4.572 -2.822 2.355 73 HA SER 13 HA SER 13 -4.180 -1.550 4.967 74 HB2 SER 13 1HB SER 13 -2.245 -3.091 4.578 75 HB3 SER 13 2HB SER 13 -1.872 -2.177 3.120 76 HG SER 13 HG SER 13 -1.749 -0.305 4.499 77 H LYS 14 H LYS 14 -3.246 0.639 4.740 78 HA LYS 14 HA LYS 14 -3.775 1.831 2.099 79 HB2 LYS 14 1HB LYS 14 -4.875 3.729 3.213 80 HB3 LYS 14 2HB LYS 14 -5.734 2.220 3.526 81 HG2 LYS 14 1HG LYS 14 -4.563 2.021 5.704 82 HG3 LYS 14 2HG LYS 14 -3.752 3.557 5.398 83 HD2 LYS 14 1HD LYS 14 -5.932 4.697 5.283 84 HD3 LYS 14 2HD LYS 14 -6.751 3.164 5.586 85 HE2 LYS 14 1HE LYS 14 -5.603 2.976 7.761 86 HE3 LYS 14 2HE LYS 14 -4.780 4.506 7.462 87 HZ1 LYS 14 3HZ LYS 14 -6.742 5.692 7.635 88 HZ2 LYS 14 1HZ LYS 14 -6.924 4.515 8.843 89 HZ3 LYS 14 2HZ LYS 14 -7.723 4.333 7.354 90 H CYS 15 H CYS 15 -1.247 1.093 3.282 91 HA CYS 15 HA CYS 15 0.849 1.963 3.649 92 HB2 CYS 15 2HB CYS 15 -0.543 4.147 2.129 93 HB3 CYS 15 1HB CYS 15 1.086 4.378 2.727 94 H CYS 16 H CYS 16 1.910 2.793 5.345 95 HA CYS 16 HA CYS 16 0.559 3.752 7.583 96 HB2 CYS 16 2HB CYS 16 3.031 2.817 7.189 97 HB3 CYS 16 1HB CYS 16 3.390 4.542 7.217 98 H HIS 17 H HIS 17 2.549 5.572 5.264 99 HA HIS 17 HA HIS 17 0.907 7.788 5.078 100 HB2 HIS 17 1HB HIS 17 2.319 7.711 7.610 101 HB3 HIS 17 2HB HIS 17 2.776 9.127 6.667 102 HD1 HIS 17 HD1 HIS 17 0.048 7.762 8.719 103 HD2 HIS 17 HD2 HIS 17 0.461 10.747 5.839 104 HE1 HIS 17 HE1 HIS 17 -2.014 9.221 8.899 105 H GLY 18 H GLY 18 4.105 6.519 5.245 106 HA2 GLY 18 1HA GLY 18 5.162 8.579 3.432 107 HA3 GLY 18 2HA GLY 18 6.105 7.337 4.250 108 H LEU 19 H LEU 19 3.433 5.842 3.071 109 HA LEU 19 HA LEU 19 4.773 5.076 0.552 110 HB2 LEU 19 1HB LEU 19 3.151 3.418 2.483 111 HB3 LEU 19 2HB LEU 19 3.661 2.853 0.897 112 HG LEU 19 HG LEU 19 5.579 3.881 3.004 113 HD11 LEU 19 1HD1 LEU 19 5.130 0.995 2.264 114 HD12 LEU 19 2HD1 LEU 19 4.265 1.748 3.602 115 HD13 LEU 19 3HD1 LEU 19 6.025 1.638 3.636 116 HD21 LEU 19 3HD2 LEU 19 5.824 2.726 0.251 117 HD22 LEU 19 1HD2 LEU 19 7.044 2.282 1.442 118 HD23 LEU 19 2HD2 LEU 19 6.789 3.976 1.034 119 H ASP 20 H ASP 20 3.375 4.441 -1.189 120 HA ASP 20 HA ASP 20 0.569 5.273 -0.972 121 HB2 ASP 20 1HB ASP 20 2.064 7.178 -1.822 122 HB3 ASP 20 2HB ASP 20 2.274 6.196 -3.273 123 H CYS 21 H CYS 21 -0.800 4.132 -2.272 124 HA CYS 21 HA CYS 21 0.343 2.387 -4.302 125 HB2 CYS 21 2HB CYS 21 -1.352 0.613 -3.285 126 HB3 CYS 21 1HB CYS 21 0.307 0.739 -2.735 127 HA PRO 22 HA PRO 22 -3.400 3.551 -6.404 128 HB2 PRO 22 2HB PRO 22 -3.392 1.637 -8.349 129 HB3 PRO 22 1HB PRO 22 -2.283 3.021 -8.349 130 HG2 PRO 22 2HG PRO 22 -1.781 0.206 -7.524 131 HG3 PRO 22 1HG PRO 22 -0.731 1.327 -8.396 132 HD2 PRO 22 2HD PRO 22 -0.470 0.760 -5.737 133 HD3 PRO 22 1HD PRO 22 0.049 2.292 -6.478 134 H LEU 23 H LEU 23 -5.423 2.375 -7.363 135 HA LEU 23 HA LEU 23 -6.405 0.561 -5.267 136 HB2 LEU 23 1HB LEU 23 -7.595 2.677 -6.938 137 HB3 LEU 23 2HB LEU 23 -8.611 1.258 -6.702 138 HG LEU 23 HG LEU 23 -8.488 1.464 -4.305 139 HD11 LEU 23 1HD1 LEU 23 -6.426 2.162 -3.571 140 HD12 LEU 23 2HD1 LEU 23 -7.197 3.748 -3.610 141 HD13 LEU 23 3HD1 LEU 23 -6.187 3.228 -4.957 142 HD21 LEU 23 3HD2 LEU 23 -8.762 4.290 -5.317 143 HD22 LEU 23 1HD2 LEU 23 -9.658 3.509 -4.014 144 HD23 LEU 23 2HD2 LEU 23 -9.960 3.050 -5.691 145 H ALA 24 H ALA 24 -4.730 -0.194 -7.624 146 HA ALA 24 HA ALA 24 -6.211 -1.558 -9.576 147 HB1 ALA 24 3HB ALA 24 -4.117 -3.048 -9.661 148 HB2 ALA 24 1HB ALA 24 -3.468 -1.991 -8.404 149 HB3 ALA 24 2HB ALA 24 -3.898 -1.325 -9.984 150 H PHE 25 H PHE 25 -5.702 -4.124 -9.649 151 HA PHE 25 HA PHE 25 -7.555 -5.288 -7.904 152 HB2 PHE 25 2HB PHE 25 -7.216 -6.389 -9.974 153 HB3 PHE 25 1HB PHE 25 -5.475 -6.475 -9.732 154 HD1 PHE 25 1HD PHE 25 -8.267 -7.317 -7.338 155 HD2 PHE 25 2HD PHE 25 -4.962 -8.763 -9.681 156 HE1 PHE 25 1HE PHE 25 -8.457 -9.524 -6.249 157 HE2 PHE 25 2HE PHE 25 -5.156 -10.965 -8.580 158 HZ PHE 25 HZ PHE 25 -6.901 -11.356 -6.864 159 H ILE 26 H ILE 26 -4.014 -5.442 -7.932 160 HA ILE 26 HA ILE 26 -4.055 -6.122 -5.065 161 HB ILE 26 HB ILE 26 -1.893 -7.503 -5.753 162 HG12 ILE 26 1HG1 ILE 26 -2.394 -8.748 -7.894 163 HG13 ILE 26 2HG1 ILE 26 -3.636 -7.561 -8.241 164 HG21 ILE 26 1HG2 ILE 26 -3.597 -9.476 -6.123 165 HG22 ILE 26 2HG2 ILE 26 -4.794 -8.244 -5.723 166 HG23 ILE 26 3HG2 ILE 26 -3.523 -8.647 -4.569 167 HD11 ILE 26 3HD1 ILE 26 -2.003 -5.769 -8.294 168 HD12 ILE 26 1HD1 ILE 26 -1.459 -7.064 -9.362 169 HD13 ILE 26 2HD1 ILE 26 -0.730 -6.872 -7.770 170 HA PRO 27 HA PRO 27 -1.255 -2.524 -6.108 171 HB2 PRO 27 2HB PRO 27 -2.550 -1.330 -3.750 172 HB3 PRO 27 1HB PRO 27 -2.368 -0.680 -5.390 173 HG2 PRO 27 2HG PRO 27 -4.740 -1.480 -4.449 174 HG3 PRO 27 1HG PRO 27 -4.283 -1.695 -6.147 175 HD2 PRO 27 2HD PRO 27 -4.278 -3.734 -3.952 176 HD3 PRO 27 1HD PRO 27 -4.813 -3.885 -5.626 177 H TYR 28 H TYR 28 0.573 -1.810 -4.954 178 HA TYR 28 HA TYR 28 1.095 -3.170 -2.387 179 HB2 TYR 28 2HB TYR 28 2.684 -3.122 -4.892 180 HB3 TYR 28 1HB TYR 28 3.572 -3.001 -3.373 181 HD1 TYR 28 1HD TYR 28 0.744 -4.956 -4.885 182 HD2 TYR 28 2HD TYR 28 4.165 -4.975 -2.292 183 HE1 TYR 28 1HE TYR 28 0.450 -7.388 -4.511 184 HE2 TYR 28 2HE TYR 28 3.874 -7.403 -1.917 185 HH TYR 28 HH TYR 28 1.268 -9.041 -2.369 186 H CYS 29 H CYS 29 1.746 -1.885 -0.779 187 HA CYS 29 HA CYS 29 1.780 0.917 -1.036 188 HB2 CYS 29 2HB CYS 29 2.310 -1.034 1.108 189 HB3 CYS 29 1HB CYS 29 3.106 0.522 1.285 190 H GLU 30 H GLU 30 3.180 1.701 -2.515 191 HA GLU 30 HA GLU 30 6.061 1.227 -1.962 192 HB2 GLU 30 1HB GLU 30 4.669 1.812 -4.583 193 HB3 GLU 30 2HB GLU 30 6.419 1.787 -4.369 194 HG2 GLU 30 1HG GLU 30 6.334 -0.541 -3.642 195 HG3 GLU 30 2HG GLU 30 4.575 -0.534 -3.746 196 H LYS 31 H LYS 31 7.429 2.991 -1.923 197 HA LYS 31 HA LYS 31 6.618 5.368 -0.853 198 HB2 LYS 31 1HB LYS 31 8.736 6.334 -1.671 199 HB3 LYS 31 2HB LYS 31 8.977 4.708 -1.031 200 HG2 LYS 31 1HG LYS 31 8.892 3.790 -3.320 201 HG3 LYS 31 2HG LYS 31 8.657 5.413 -3.967 202 HD2 LYS 31 1HD LYS 31 10.830 6.105 -3.015 203 HD3 LYS 31 2HD LYS 31 11.070 4.473 -2.393 204 HE2 LYS 31 1HE LYS 31 10.986 3.574 -4.682 205 HE3 LYS 31 2HE LYS 31 10.721 5.197 -5.317 206 HZ1 LYS 31 3HZ LYS 31 13.128 4.151 -3.946 207 HZ2 LYS 31 1HZ LYS 31 12.862 5.810 -4.185 208 HZ3 LYS 31 2HZ LYS 31 13.008 4.773 -5.523 209 H TYR 32 H TYR 32 6.200 7.466 -1.646 210 HA TYR 32 HA TYR 32 4.510 7.590 -3.913 211 HB2 TYR 32 2HB TYR 32 4.315 9.145 -2.015 212 HB3 TYR 32 1HB TYR 32 5.883 9.843 -2.425 213 HD1 TYR 32 1HD TYR 32 2.424 9.294 -3.676 214 HD2 TYR 32 2HD TYR 32 6.102 11.458 -4.166 215 HE1 TYR 32 1HE TYR 32 1.321 10.800 -5.311 216 HE2 TYR 32 2HE TYR 32 4.999 12.963 -5.801 217 HH TYR 32 HH TYR 32 2.981 12.791 -7.385 218 H ARG 33 H ARG 33 4.921 7.982 -6.009 219 HA ARG 33 HA ARG 33 7.698 8.244 -6.853 220 HB2 ARG 33 1HB ARG 33 5.147 7.920 -8.450 221 HB3 ARG 33 2HB ARG 33 6.777 7.903 -9.123 222 HG2 ARG 33 1HG ARG 33 7.344 5.955 -7.728 223 HG3 ARG 33 2HG ARG 33 5.723 5.974 -7.033 224 HD2 ARG 33 1HD ARG 33 5.770 4.320 -8.803 225 HD3 ARG 33 2HD ARG 33 4.790 5.681 -9.340 226 HE ARG 33 HE ARG 33 6.413 6.160 -10.949 227 HH11 ARG 33 1HH1 ARG 33 8.285 5.642 -12.125 228 HH12 ARG 33 2HH1 ARG 33 9.393 4.463 -11.504 229 HH21 ARG 33 2HH2 ARG 33 8.971 3.446 -9.530 230 HH22 ARG 33 1HH2 ARG 33 7.541 3.845 -8.638 Start of MODEL 3 1 HA ASN 1 HA ASN 1 -0.708 -1.961 12.889 2 HB2 ASN 1 1HB ASN 1 0.664 -0.285 14.147 3 HB3 ASN 1 2HB ASN 1 1.055 0.490 12.612 4 HD21 ASN 1 1HD2 ASN 1 -1.990 2.118 14.153 5 HD22 ASN 1 2HD2 ASN 1 -0.432 1.799 14.748 6 H CYS 2 H CYS 2 1.357 0.000 10.732 7 HA CYS 2 HA CYS 2 -0.680 -0.210 8.641 8 HB2 CYS 2 2HB CYS 2 0.982 1.507 7.577 9 HB3 CYS 2 1HB CYS 2 -0.138 2.015 8.840 10 H ALA 3 H ALA 3 0.269 -0.266 6.367 11 HA ALA 3 HA ALA 3 1.663 -2.737 6.053 12 HB1 ALA 3 3HB ALA 3 0.384 -2.490 4.196 13 HB2 ALA 3 1HB ALA 3 1.790 -1.607 3.584 14 HB3 ALA 3 2HB ALA 3 0.427 -0.727 4.282 15 H LYS 4 H LYS 4 3.686 -3.105 5.142 16 HA LYS 4 HA LYS 4 5.582 -0.861 5.432 17 HB2 LYS 4 1HB LYS 4 6.086 -3.837 5.580 18 HB3 LYS 4 2HB LYS 4 7.291 -2.566 5.800 19 HG2 LYS 4 1HG LYS 4 5.821 -1.654 7.661 20 HG3 LYS 4 2HG LYS 4 4.885 -3.141 7.535 21 HD2 LYS 4 1HD LYS 4 6.956 -4.455 7.921 22 HD3 LYS 4 2HD LYS 4 7.839 -2.942 8.128 23 HE2 LYS 4 1HE LYS 4 5.493 -3.850 9.823 24 HE3 LYS 4 2HE LYS 4 7.188 -3.892 10.315 25 HZ1 LYS 4 3HZ LYS 4 5.626 -1.468 9.605 26 HZ2 LYS 4 1HZ LYS 4 7.277 -1.482 9.994 27 HZ3 LYS 4 2HZ LYS 4 6.126 -1.920 11.165 28 H GLU 5 H GLU 5 6.991 -0.425 3.768 29 HA GLU 5 HA GLU 5 6.335 -0.560 1.178 30 HB2 GLU 5 1HB GLU 5 8.368 0.572 2.132 31 HB3 GLU 5 2HB GLU 5 9.170 -0.993 2.160 32 HG2 GLU 5 1HG GLU 5 8.855 -1.213 -0.260 33 HG3 GLU 5 2HG GLU 5 8.028 0.339 -0.305 34 H GLY 6 H GLY 6 5.800 -2.167 -0.143 35 HA2 GLY 6 1HA GLY 6 6.430 -4.110 -1.423 36 HA3 GLY 6 2HA GLY 6 7.326 -4.693 -0.023 37 H GLU 7 H GLU 7 4.445 -3.383 1.020 38 HA GLU 7 HA GLU 7 3.223 -6.056 1.240 39 HB2 GLU 7 1HB GLU 7 2.889 -3.531 2.855 40 HB3 GLU 7 2HB GLU 7 1.814 -4.920 3.022 41 HG2 GLU 7 1HG GLU 7 4.823 -5.133 3.264 42 HG3 GLU 7 2HG GLU 7 3.766 -4.858 4.647 43 H VAL 8 H VAL 8 0.922 -6.272 0.960 44 HA VAL 8 HA VAL 8 -0.022 -4.885 -1.358 45 HB VAL 8 HB VAL 8 -1.818 -6.374 -1.352 46 HG11 VAL 8 1HG1 VAL 8 -0.677 -8.342 -1.426 47 HG12 VAL 8 2HG1 VAL 8 -0.116 -8.193 0.239 48 HG13 VAL 8 3HG1 VAL 8 0.722 -7.338 -1.055 49 HG21 VAL 8 3HG2 VAL 8 -2.289 -7.690 0.855 50 HG22 VAL 8 1HG2 VAL 8 -2.859 -6.025 0.736 51 HG23 VAL 8 2HG2 VAL 8 -1.386 -6.390 1.632 52 H CYS 9 H CYS 9 -1.797 -3.494 -1.550 53 HA CYS 9 HA CYS 9 -3.065 -2.473 0.887 54 HB2 CYS 9 2HB CYS 9 -1.451 -0.858 0.964 55 HB3 CYS 9 1HB CYS 9 -1.110 -0.982 -0.749 56 H GLY 10 H GLY 10 -4.904 -1.060 0.411 57 HA2 GLY 10 1HA GLY 10 -6.489 -0.122 -1.109 58 HA3 GLY 10 2HA GLY 10 -5.906 -1.231 -2.348 59 H TRP 11 H TRP 11 -5.877 -3.299 -0.025 60 HA TRP 11 HA TRP 11 -8.745 -3.755 0.198 61 HB2 TRP 11 2HB TRP 11 -6.883 -5.918 -0.719 62 HB3 TRP 11 1HB TRP 11 -8.636 -5.959 -0.641 63 HD1 TRP 11 1HD TRP 11 -5.918 -5.307 -2.964 64 HE1 TRP 11 1HE TRP 11 -6.783 -4.165 -5.105 65 HE3 TRP 11 3HE TRP 11 -10.504 -3.909 -1.349 66 HZ2 TRP 11 2HZ TRP 11 -9.153 -2.809 -6.003 67 HZ3 TRP 11 3HZ TRP 11 -12.072 -2.679 -2.850 68 HH2 TRP 11 2HH TRP 11 -11.393 -2.129 -5.172 69 H GLY 12 H GLY 12 -5.681 -3.733 1.501 70 HA2 GLY 12 1HA GLY 12 -6.625 -5.128 3.918 71 HA3 GLY 12 2HA GLY 12 -5.062 -5.554 3.232 72 H SER 13 H SER 13 -4.390 -2.818 2.405 73 HA SER 13 HA SER 13 -4.325 -1.345 4.938 74 HB2 SER 13 1HB SER 13 -2.340 -2.824 4.993 75 HB3 SER 13 2HB SER 13 -1.808 -2.133 3.462 76 HG SER 13 HG SER 13 -2.256 -0.738 5.900 77 H LYS 14 H LYS 14 -3.602 0.877 4.645 78 HA LYS 14 HA LYS 14 -3.797 1.789 1.852 79 HB2 LYS 14 1HB LYS 14 -4.723 3.427 4.196 80 HB3 LYS 14 2HB LYS 14 -5.143 3.587 2.493 81 HG2 LYS 14 1HG LYS 14 -7.038 2.485 3.128 82 HG3 LYS 14 2HG LYS 14 -6.011 1.060 2.958 83 HD2 LYS 14 1HD LYS 14 -5.395 1.272 5.370 84 HD3 LYS 14 2HD LYS 14 -6.544 2.603 5.511 85 HE2 LYS 14 1HE LYS 14 -7.698 0.625 6.233 86 HE3 LYS 14 2HE LYS 14 -8.321 1.018 4.630 87 HZ1 LYS 14 3HZ LYS 14 -5.989 -0.700 4.672 88 HZ2 LYS 14 1HZ LYS 14 -7.395 -0.799 3.728 89 HZ3 LYS 14 2HZ LYS 14 -7.400 -1.388 5.322 90 H CYS 15 H CYS 15 -1.352 1.155 3.054 91 HA CYS 15 HA CYS 15 0.741 2.016 3.431 92 HB2 CYS 15 2HB CYS 15 -0.632 4.215 1.931 93 HB3 CYS 15 1HB CYS 15 0.972 4.452 2.567 94 H CYS 16 H CYS 16 1.771 2.775 5.176 95 HA CYS 16 HA CYS 16 0.424 3.746 7.401 96 HB2 CYS 16 2HB CYS 16 2.885 2.805 7.033 97 HB3 CYS 16 1HB CYS 16 3.267 4.527 7.026 98 H HIS 17 H HIS 17 2.638 5.653 5.365 99 HA HIS 17 HA HIS 17 0.884 7.856 5.123 100 HB2 HIS 17 1HB HIS 17 1.538 7.890 7.643 101 HB3 HIS 17 2HB HIS 17 3.104 8.444 7.063 102 HD1 HIS 17 HD1 HIS 17 3.064 10.686 5.577 103 HD2 HIS 17 HD2 HIS 17 -0.436 9.857 7.684 104 HE1 HIS 17 HE1 HIS 17 1.718 12.831 5.604 105 H GLY 18 H GLY 18 4.078 6.585 5.246 106 HA2 GLY 18 1HA GLY 18 5.116 8.643 3.412 107 HA3 GLY 18 2HA GLY 18 6.075 7.420 4.239 108 H LEU 19 H LEU 19 3.393 5.900 3.071 109 HA LEU 19 HA LEU 19 4.775 5.106 0.587 110 HB2 LEU 19 1HB LEU 19 3.042 3.493 2.456 111 HB3 LEU 19 2HB LEU 19 3.615 2.915 0.901 112 HG LEU 19 HG LEU 19 5.438 3.902 3.111 113 HD11 LEU 19 1HD1 LEU 19 5.814 1.651 3.743 114 HD12 LEU 19 2HD1 LEU 19 5.022 1.026 2.298 115 HD13 LEU 19 3HD1 LEU 19 4.061 1.763 3.582 116 HD21 LEU 19 3HD2 LEU 19 6.964 2.318 1.590 117 HD22 LEU 19 1HD2 LEU 19 6.754 4.024 1.211 118 HD23 LEU 19 2HD2 LEU 19 5.816 2.801 0.349 119 H ASP 20 H ASP 20 3.453 4.558 -1.206 120 HA ASP 20 HA ASP 20 0.683 5.565 -1.100 121 HB2 ASP 20 1HB ASP 20 2.330 7.264 -2.067 122 HB3 ASP 20 2HB ASP 20 2.545 6.128 -3.399 123 H CYS 21 H CYS 21 -0.685 4.071 -1.869 124 HA CYS 21 HA CYS 21 0.336 2.182 -3.875 125 HB2 CYS 21 2HB CYS 21 -0.285 0.416 -2.644 126 HB3 CYS 21 1HB CYS 21 -0.432 1.536 -1.293 127 HA PRO 22 HA PRO 22 -3.204 3.747 -6.153 128 HB2 PRO 22 2HB PRO 22 -3.055 2.059 -8.281 129 HB3 PRO 22 1HB PRO 22 -1.914 3.398 -8.042 130 HG2 PRO 22 2HG PRO 22 -1.562 0.497 -7.454 131 HG3 PRO 22 1HG PRO 22 -0.420 1.651 -8.151 132 HD2 PRO 22 2HD PRO 22 -0.350 0.858 -5.557 133 HD3 PRO 22 1HD PRO 22 0.228 2.444 -6.119 134 H LEU 23 H LEU 23 -5.209 2.862 -7.223 135 HA LEU 23 HA LEU 23 -6.313 0.729 -5.527 136 HB2 LEU 23 1HB LEU 23 -7.401 3.123 -6.891 137 HB3 LEU 23 2HB LEU 23 -8.449 1.705 -6.864 138 HG LEU 23 HG LEU 23 -8.397 1.598 -4.469 139 HD11 LEU 23 1HD1 LEU 23 -6.017 3.364 -4.800 140 HD12 LEU 23 2HD1 LEU 23 -6.301 2.073 -3.629 141 HD13 LEU 23 3HD1 LEU 23 -7.031 3.660 -3.394 142 HD21 LEU 23 3HD2 LEU 23 -9.456 3.658 -3.909 143 HD22 LEU 23 1HD2 LEU 23 -9.771 3.416 -5.629 144 HD23 LEU 23 2HD2 LEU 23 -8.516 4.545 -5.111 145 H ALA 24 H ALA 24 -5.819 -1.138 -6.444 146 HA ALA 24 HA ALA 24 -6.929 -1.751 -9.084 147 HB1 ALA 24 3HB ALA 24 -4.910 -2.740 -9.906 148 HB2 ALA 24 1HB ALA 24 -4.100 -2.527 -8.353 149 HB3 ALA 24 2HB ALA 24 -4.490 -1.121 -9.344 150 H PHE 25 H PHE 25 -6.148 -4.285 -9.423 151 HA PHE 25 HA PHE 25 -7.743 -5.725 -7.640 152 HB2 PHE 25 2HB PHE 25 -7.408 -6.623 -9.825 153 HB3 PHE 25 1HB PHE 25 -5.659 -6.628 -9.627 154 HD1 PHE 25 1HD PHE 25 -8.327 -7.799 -7.226 155 HD2 PHE 25 2HD PHE 25 -5.029 -8.883 -9.765 156 HE1 PHE 25 1HE PHE 25 -8.373 -10.076 -6.309 157 HE2 PHE 25 2HE PHE 25 -5.080 -11.168 -8.832 158 HZ PHE 25 HZ PHE 25 -6.754 -11.776 -7.105 159 H ILE 26 H ILE 26 -4.195 -5.598 -7.887 160 HA ILE 26 HA ILE 26 -4.023 -6.368 -5.052 161 HB ILE 26 HB ILE 26 -1.872 -7.676 -5.879 162 HG12 ILE 26 1HG1 ILE 26 -2.458 -8.895 -8.018 163 HG13 ILE 26 2HG1 ILE 26 -3.731 -7.720 -8.276 164 HG21 ILE 26 1HG2 ILE 26 -4.721 -8.693 -6.034 165 HG22 ILE 26 2HG2 ILE 26 -3.689 -8.659 -4.604 166 HG23 ILE 26 3HG2 ILE 26 -3.292 -9.724 -5.952 167 HD11 ILE 26 3HD1 ILE 26 -0.814 -6.995 -7.935 168 HD12 ILE 26 1HD1 ILE 26 -2.130 -5.906 -8.384 169 HD13 ILE 26 2HD1 ILE 26 -1.618 -7.175 -9.495 170 HA PRO 27 HA PRO 27 -1.338 -2.719 -6.177 171 HB2 PRO 27 2HB PRO 27 -2.582 -1.442 -3.862 172 HB3 PRO 27 1HB PRO 27 -2.508 -0.901 -5.547 173 HG2 PRO 27 2HG PRO 27 -4.803 -1.715 -4.414 174 HG3 PRO 27 1HG PRO 27 -4.423 -1.969 -6.120 175 HD2 PRO 27 2HD PRO 27 -4.245 -3.947 -3.881 176 HD3 PRO 27 1HD PRO 27 -4.878 -4.150 -5.520 177 H TYR 28 H TYR 28 0.430 -1.842 -5.003 178 HA TYR 28 HA TYR 28 0.999 -3.137 -2.417 179 HB2 TYR 28 2HB TYR 28 2.611 -3.087 -4.913 180 HB3 TYR 28 1HB TYR 28 3.472 -2.928 -3.382 181 HD1 TYR 28 1HD TYR 28 0.739 -5.002 -4.936 182 HD2 TYR 28 2HD TYR 28 4.086 -4.870 -2.245 183 HE1 TYR 28 1HE TYR 28 0.533 -7.438 -4.560 184 HE2 TYR 28 2HE TYR 28 3.875 -7.309 -1.868 185 HH TYR 28 HH TYR 28 2.607 -9.120 -2.214 186 H CYS 29 H CYS 29 1.972 -1.896 -0.878 187 HA CYS 29 HA CYS 29 1.827 0.954 -1.241 188 HB2 CYS 29 2HB CYS 29 2.237 -0.918 1.016 189 HB3 CYS 29 1HB CYS 29 3.012 0.657 1.176 190 H GLU 30 H GLU 30 3.346 1.855 -2.471 191 HA GLU 30 HA GLU 30 6.172 1.317 -1.762 192 HB2 GLU 30 1HB GLU 30 5.020 1.799 -4.518 193 HB3 GLU 30 2HB GLU 30 6.741 1.697 -4.145 194 HG2 GLU 30 1HG GLU 30 6.422 -0.592 -3.282 195 HG3 GLU 30 2HG GLU 30 4.702 -0.494 -3.658 196 H LYS 31 H LYS 31 7.516 3.094 -1.643 197 HA LYS 31 HA LYS 31 6.358 5.579 -1.029 198 HB2 LYS 31 1HB LYS 31 8.527 4.868 -0.144 199 HB3 LYS 31 2HB LYS 31 9.202 4.870 -1.772 200 HG2 LYS 31 1HG LYS 31 8.877 7.250 -1.972 201 HG3 LYS 31 2HG LYS 31 7.990 7.304 -0.452 202 HD2 LYS 31 1HD LYS 31 10.210 8.086 0.024 203 HD3 LYS 31 2HD LYS 31 10.091 6.459 0.688 204 HE2 LYS 31 1HE LYS 31 11.312 5.528 -1.169 205 HE3 LYS 31 2HE LYS 31 11.233 7.049 -2.056 206 HZ1 LYS 31 3HZ LYS 31 13.355 6.455 -0.747 207 HZ2 LYS 31 1HZ LYS 31 12.471 6.952 0.613 208 HZ3 LYS 31 2HZ LYS 31 12.750 8.041 -0.663 209 H TYR 32 H TYR 32 5.399 6.918 -2.428 210 HA TYR 32 HA TYR 32 4.790 7.864 -4.449 211 HB2 TYR 32 2HB TYR 32 7.738 8.358 -4.133 212 HB3 TYR 32 1HB TYR 32 6.843 9.019 -5.499 213 HD1 TYR 32 1HD TYR 32 6.932 8.884 -1.781 214 HD2 TYR 32 2HD TYR 32 5.443 10.915 -5.254 215 HE1 TYR 32 1HE TYR 32 6.103 10.730 -0.342 216 HE2 TYR 32 2HE TYR 32 4.607 12.758 -3.821 217 HH TYR 32 HH TYR 32 4.039 12.591 -0.755 218 H ARG 33 H ARG 33 5.316 5.004 -4.611 219 HA ARG 33 HA ARG 33 5.862 3.340 -6.123 220 HB2 ARG 33 1HB ARG 33 4.607 5.424 -7.925 221 HB3 ARG 33 2HB ARG 33 4.754 3.704 -8.275 222 HG2 ARG 33 1HG ARG 33 3.354 3.142 -6.369 223 HG3 ARG 33 2HG ARG 33 3.279 4.838 -5.889 224 HD2 ARG 33 1HD ARG 33 1.242 4.313 -7.081 225 HD3 ARG 33 2HD ARG 33 2.225 5.351 -8.109 226 HE ARG 33 HE ARG 33 2.794 2.630 -8.676 227 HH11 ARG 33 1HH1 ARG 33 1.917 1.734 -10.573 228 HH12 ARG 33 2HH1 ARG 33 0.564 2.501 -11.338 229 HH21 ARG 33 2HH2 ARG 33 -0.322 4.381 -10.454 230 HH22 ARG 33 1HH2 ARG 33 0.352 5.058 -9.009 Start of MODEL 4 1 HA ASN 1 HA ASN 1 -0.270 -1.160 12.202 2 HB2 ASN 1 1HB ASN 1 0.810 -3.293 11.251 3 HB3 ASN 1 2HB ASN 1 0.230 -3.367 12.914 4 HD21 ASN 1 1HD2 ASN 1 -1.693 -6.194 12.102 5 HD22 ASN 1 2HD2 ASN 1 -0.610 -5.449 13.177 6 H CYS 2 H CYS 2 0.428 -0.102 10.428 7 HA CYS 2 HA CYS 2 -1.110 -0.140 8.015 8 HB2 CYS 2 2HB CYS 2 0.440 1.538 7.255 9 HB3 CYS 2 1HB CYS 2 -0.048 1.910 8.906 10 H ALA 3 H ALA 3 0.426 -0.027 5.935 11 HA ALA 3 HA ALA 3 1.612 -2.708 5.774 12 HB1 ALA 3 3HB ALA 3 0.389 -2.659 3.879 13 HB2 ALA 3 1HB ALA 3 1.697 -1.664 3.240 14 HB3 ALA 3 2HB ALA 3 0.258 -0.898 3.907 15 H LYS 4 H LYS 4 3.726 -3.085 5.258 16 HA LYS 4 HA LYS 4 5.523 -0.753 5.304 17 HB2 LYS 4 1HB LYS 4 6.099 -3.703 5.668 18 HB3 LYS 4 2HB LYS 4 7.292 -2.404 5.774 19 HG2 LYS 4 1HG LYS 4 5.898 -1.366 7.588 20 HG3 LYS 4 2HG LYS 4 4.872 -2.799 7.552 21 HD2 LYS 4 1HD LYS 4 6.827 -4.214 8.063 22 HD3 LYS 4 2HD LYS 4 7.842 -2.771 8.096 23 HE2 LYS 4 1HE LYS 4 6.509 -1.864 9.962 24 HE3 LYS 4 2HE LYS 4 5.484 -3.297 9.931 25 HZ1 LYS 4 3HZ LYS 4 7.667 -4.565 10.232 26 HZ2 LYS 4 1HZ LYS 4 7.032 -3.751 11.578 27 HZ3 LYS 4 2HZ LYS 4 8.323 -3.072 10.708 28 H GLU 5 H GLU 5 6.892 -0.305 3.619 29 HA GLU 5 HA GLU 5 6.367 -0.585 1.049 30 HB2 GLU 5 1HB GLU 5 8.367 0.598 1.956 31 HB3 GLU 5 2HB GLU 5 9.170 -0.961 2.133 32 HG2 GLU 5 1HG GLU 5 8.965 -1.368 -0.263 33 HG3 GLU 5 2HG GLU 5 8.101 0.151 -0.468 34 H GLY 6 H GLY 6 5.837 -2.230 -0.213 35 HA2 GLY 6 1HA GLY 6 6.434 -4.229 -1.405 36 HA3 GLY 6 2HA GLY 6 7.350 -4.753 0.007 37 H GLU 7 H GLU 7 4.427 -3.390 0.950 38 HA GLU 7 HA GLU 7 3.214 -6.063 1.279 39 HB2 GLU 7 1HB GLU 7 2.991 -3.528 2.887 40 HB3 GLU 7 2HB GLU 7 1.871 -4.875 3.091 41 HG2 GLU 7 1HG GLU 7 4.875 -5.186 3.256 42 HG3 GLU 7 2HG GLU 7 3.862 -4.874 4.663 43 H VAL 8 H VAL 8 0.934 -6.281 1.011 44 HA VAL 8 HA VAL 8 -0.072 -4.942 -1.287 45 HB VAL 8 HB VAL 8 -1.942 -6.343 -1.102 46 HG11 VAL 8 1HG1 VAL 8 -0.195 -8.159 0.439 47 HG12 VAL 8 2HG1 VAL 8 0.576 -7.384 -0.944 48 HG13 VAL 8 3HG1 VAL 8 -0.879 -8.354 -1.175 49 HG21 VAL 8 3HG2 VAL 8 -2.890 -5.971 0.992 50 HG22 VAL 8 1HG2 VAL 8 -1.353 -6.171 1.834 51 HG23 VAL 8 2HG2 VAL 8 -2.216 -7.583 1.226 52 H CYS 9 H CYS 9 -1.874 -3.547 -1.464 53 HA CYS 9 HA CYS 9 -3.059 -2.395 0.927 54 HB2 CYS 9 2HB CYS 9 -1.210 -0.976 0.975 55 HB3 CYS 9 1HB CYS 9 -1.103 -0.922 -0.774 56 H GLY 10 H GLY 10 -4.801 -0.889 0.406 57 HA2 GLY 10 1HA GLY 10 -6.289 0.142 -1.146 58 HA3 GLY 10 2HA GLY 10 -5.736 -0.987 -2.382 59 H TRP 11 H TRP 11 -5.897 -3.097 -0.108 60 HA TRP 11 HA TRP 11 -8.784 -3.346 0.105 61 HB2 TRP 11 2HB TRP 11 -7.130 -5.621 -0.953 62 HB3 TRP 11 1HB TRP 11 -8.880 -5.511 -0.838 63 HD1 TRP 11 1HD TRP 11 -6.144 -4.982 -3.159 64 HE1 TRP 11 1HE TRP 11 -6.913 -3.677 -5.246 65 HE3 TRP 11 3HE TRP 11 -10.595 -3.317 -1.478 66 HZ2 TRP 11 2HZ TRP 11 -9.164 -2.105 -6.081 67 HZ3 TRP 11 3HZ TRP 11 -12.071 -1.905 -2.919 68 HH2 TRP 11 2HH TRP 11 -11.348 -1.297 -5.219 69 H GLY 12 H GLY 12 -5.712 -3.652 1.355 70 HA2 GLY 12 1HA GLY 12 -6.726 -5.128 3.707 71 HA3 GLY 12 2HA GLY 12 -5.178 -5.567 2.993 72 H SER 13 H SER 13 -4.349 -2.855 2.330 73 HA SER 13 HA SER 13 -4.193 -1.586 4.982 74 HB2 SER 13 1HB SER 13 -2.187 -3.103 4.544 75 HB3 SER 13 2HB SER 13 -1.762 -1.991 3.244 76 HG SER 13 HG SER 13 -2.398 -0.720 5.573 77 H LYS 14 H LYS 14 -3.243 0.647 4.804 78 HA LYS 14 HA LYS 14 -3.774 1.852 2.170 79 HB2 LYS 14 1HB LYS 14 -4.707 2.834 4.875 80 HB3 LYS 14 2HB LYS 14 -4.786 3.777 3.388 81 HG2 LYS 14 1HG LYS 14 -6.188 2.038 2.346 82 HG3 LYS 14 2HG LYS 14 -6.112 1.087 3.830 83 HD2 LYS 14 1HD LYS 14 -7.199 2.919 5.070 84 HD3 LYS 14 2HD LYS 14 -7.277 3.877 3.591 85 HE2 LYS 14 1HE LYS 14 -8.684 2.154 2.535 86 HE3 LYS 14 2HE LYS 14 -8.597 1.175 4.001 87 HZ1 LYS 14 3HZ LYS 14 -10.620 2.648 3.715 88 HZ2 LYS 14 1HZ LYS 14 -9.595 3.960 4.037 89 HZ3 LYS 14 2HZ LYS 14 -9.810 2.745 5.204 90 H CYS 15 H CYS 15 -1.234 1.091 3.307 91 HA CYS 15 HA CYS 15 0.863 1.941 3.677 92 HB2 CYS 15 2HB CYS 15 -0.534 4.126 2.178 93 HB3 CYS 15 1HB CYS 15 1.080 4.386 2.802 94 H CYS 16 H CYS 16 2.012 2.892 5.283 95 HA CYS 16 HA CYS 16 0.687 3.776 7.592 96 HB2 CYS 16 2HB CYS 16 3.538 4.461 6.954 97 HB3 CYS 16 1HB CYS 16 2.816 4.121 8.526 98 H HIS 17 H HIS 17 2.698 5.678 5.364 99 HA HIS 17 HA HIS 17 0.948 7.864 5.217 100 HB2 HIS 17 1HB HIS 17 2.320 9.467 6.658 101 HB3 HIS 17 2HB HIS 17 1.289 8.328 7.519 102 HD1 HIS 17 HD1 HIS 17 4.908 8.852 6.544 103 HD2 HIS 17 HD2 HIS 17 2.655 6.507 9.153 104 HE1 HIS 17 HE1 HIS 17 6.563 7.647 8.037 105 H GLY 18 H GLY 18 4.180 6.681 5.224 106 HA2 GLY 18 1HA GLY 18 5.055 8.741 3.293 107 HA3 GLY 18 2HA GLY 18 6.110 7.589 4.104 108 H LEU 19 H LEU 19 3.401 5.982 3.052 109 HA LEU 19 HA LEU 19 4.687 5.183 0.514 110 HB2 LEU 19 1HB LEU 19 3.200 3.505 2.538 111 HB3 LEU 19 2HB LEU 19 3.685 2.934 0.947 112 HG LEU 19 HG LEU 19 5.654 4.098 2.925 113 HD11 LEU 19 1HD1 LEU 19 6.037 1.315 2.688 114 HD12 LEU 19 2HD1 LEU 19 4.314 1.536 2.984 115 HD13 LEU 19 3HD1 LEU 19 5.493 2.196 4.114 116 HD21 LEU 19 3HD2 LEU 19 7.129 2.500 1.429 117 HD22 LEU 19 1HD2 LEU 19 6.702 4.101 0.835 118 HD23 LEU 19 2HD2 LEU 19 5.819 2.683 0.267 119 H ASP 20 H ASP 20 3.281 4.501 -1.171 120 HA ASP 20 HA ASP 20 0.455 5.258 -0.866 121 HB2 ASP 20 1HB ASP 20 2.377 6.308 -2.944 122 HB3 ASP 20 2HB ASP 20 0.627 6.359 -3.154 123 H CYS 21 H CYS 21 -0.949 3.945 -1.935 124 HA CYS 21 HA CYS 21 0.217 2.028 -3.827 125 HB2 CYS 21 2HB CYS 21 -0.800 0.225 -2.833 126 HB3 CYS 21 1HB CYS 21 -0.405 1.198 -1.423 127 HA PRO 22 HA PRO 22 -3.151 3.569 -6.347 128 HB2 PRO 22 2HB PRO 22 -2.909 1.791 -8.402 129 HB3 PRO 22 1HB PRO 22 -1.787 3.147 -8.159 130 HG2 PRO 22 2HG PRO 22 -1.453 0.271 -7.454 131 HG3 PRO 22 1HG PRO 22 -0.278 1.410 -8.112 132 HD2 PRO 22 2HD PRO 22 -0.360 0.682 -5.510 133 HD3 PRO 22 1HD PRO 22 0.250 2.250 -6.074 134 H LEU 23 H LEU 23 -5.144 2.729 -7.445 135 HA LEU 23 HA LEU 23 -6.333 0.650 -5.750 136 HB2 LEU 23 1HB LEU 23 -7.447 2.878 -7.447 137 HB3 LEU 23 2HB LEU 23 -8.478 1.544 -6.929 138 HG LEU 23 HG LEU 23 -8.559 3.498 -5.367 139 HD11 LEU 23 1HD1 LEU 23 -8.445 0.827 -4.732 140 HD12 LEU 23 2HD1 LEU 23 -8.820 2.109 -3.578 141 HD13 LEU 23 3HD1 LEU 23 -7.172 1.490 -3.706 142 HD21 LEU 23 3HD2 LEU 23 -6.023 3.947 -5.830 143 HD22 LEU 23 1HD2 LEU 23 -5.756 2.773 -4.540 144 HD23 LEU 23 2HD2 LEU 23 -6.657 4.253 -4.212 145 H ALA 24 H ALA 24 -5.816 -1.263 -6.622 146 HA ALA 24 HA ALA 24 -6.900 -1.865 -9.277 147 HB1 ALA 24 3HB ALA 24 -4.085 -2.634 -8.464 148 HB2 ALA 24 1HB ALA 24 -4.487 -1.328 -9.582 149 HB3 ALA 24 2HB ALA 24 -4.881 -2.995 -9.999 150 H PHE 25 H PHE 25 -5.630 -4.478 -9.322 151 HA PHE 25 HA PHE 25 -7.567 -5.945 -7.844 152 HB2 PHE 25 2HB PHE 25 -5.052 -7.247 -8.792 153 HB3 PHE 25 1HB PHE 25 -6.721 -7.794 -8.914 154 HD1 PHE 25 1HD PHE 25 -4.024 -6.211 -10.623 155 HD2 PHE 25 2HD PHE 25 -8.310 -6.439 -10.464 156 HE1 PHE 25 1HE PHE 25 -4.154 -5.288 -12.911 157 HE2 PHE 25 2HE PHE 25 -8.442 -5.514 -12.762 158 HZ PHE 25 HZ PHE 25 -6.363 -4.937 -13.988 159 H ILE 26 H ILE 26 -4.009 -5.759 -7.519 160 HA ILE 26 HA ILE 26 -4.312 -6.044 -4.611 161 HB ILE 26 HB ILE 26 -3.904 -8.315 -5.587 162 HG12 ILE 26 1HG1 ILE 26 -1.948 -8.820 -4.072 163 HG13 ILE 26 2HG1 ILE 26 -1.771 -7.082 -3.827 164 HG21 ILE 26 1HG2 ILE 26 -2.142 -6.981 -7.235 165 HG22 ILE 26 2HG2 ILE 26 -2.247 -8.729 -7.037 166 HG23 ILE 26 3HG2 ILE 26 -1.078 -7.805 -6.095 167 HD11 ILE 26 3HD1 ILE 26 -3.678 -6.926 -2.547 168 HD12 ILE 26 1HD1 ILE 26 -3.240 -8.590 -2.177 169 HD13 ILE 26 2HD1 ILE 26 -4.486 -8.253 -3.379 170 HA PRO 27 HA PRO 27 -1.308 -2.782 -6.064 171 HB2 PRO 27 2HB PRO 27 -2.601 -1.271 -3.889 172 HB3 PRO 27 1HB PRO 27 -2.301 -0.820 -5.576 173 HG2 PRO 27 2HG PRO 27 -4.761 -1.383 -4.704 174 HG3 PRO 27 1HG PRO 27 -4.206 -1.792 -6.331 175 HD2 PRO 27 2HD PRO 27 -4.509 -3.581 -3.959 176 HD3 PRO 27 1HD PRO 27 -4.888 -3.896 -5.666 177 H TYR 28 H TYR 28 0.563 -2.048 -4.986 178 HA TYR 28 HA TYR 28 1.022 -3.198 -2.305 179 HB2 TYR 28 2HB TYR 28 2.681 -3.184 -4.767 180 HB3 TYR 28 1HB TYR 28 3.522 -2.969 -3.231 181 HD1 TYR 28 1HD TYR 28 0.660 -5.065 -4.522 182 HD2 TYR 28 2HD TYR 28 4.320 -4.932 -2.267 183 HE1 TYR 28 1HE TYR 28 0.488 -7.497 -4.091 184 HE2 TYR 28 2HE TYR 28 4.131 -7.363 -1.828 185 HH TYR 28 HH TYR 28 1.469 -9.279 -3.209 186 H CYS 29 H CYS 29 1.995 -1.957 -0.759 187 HA CYS 29 HA CYS 29 1.821 0.884 -1.083 188 HB2 CYS 29 2HB CYS 29 2.350 -1.004 1.114 189 HB3 CYS 29 1HB CYS 29 3.175 0.544 1.253 190 H GLU 30 H GLU 30 3.242 1.958 -2.248 191 HA GLU 30 HA GLU 30 6.117 1.437 -1.755 192 HB2 GLU 30 1HB GLU 30 4.840 2.001 -4.440 193 HB3 GLU 30 2HB GLU 30 6.573 1.866 -4.136 194 HG2 GLU 30 1HG GLU 30 4.581 -0.329 -3.521 195 HG3 GLU 30 2HG GLU 30 5.523 -0.250 -5.007 196 H LYS 31 H LYS 31 7.489 3.249 -1.922 197 HA LYS 31 HA LYS 31 6.286 5.716 -1.112 198 HB2 LYS 31 1HB LYS 31 8.665 6.573 -1.329 199 HB3 LYS 31 2HB LYS 31 8.437 5.219 -0.226 200 HG2 LYS 31 1HG LYS 31 9.279 3.647 -1.825 201 HG3 LYS 31 2HG LYS 31 9.239 4.843 -3.119 202 HD2 LYS 31 1HD LYS 31 11.530 4.688 -2.441 203 HD3 LYS 31 2HD LYS 31 10.922 6.191 -1.748 204 HE2 LYS 31 1HE LYS 31 10.647 5.165 0.421 205 HE3 LYS 31 2HE LYS 31 10.996 3.565 -0.234 206 HZ1 LYS 31 3HZ LYS 31 13.027 5.535 -0.765 207 HZ2 LYS 31 1HZ LYS 31 13.178 3.946 -0.190 208 HZ3 LYS 31 2HZ LYS 31 12.804 5.206 0.888 209 H TYR 32 H TYR 32 6.203 7.677 -2.214 210 HA TYR 32 HA TYR 32 6.829 7.652 -5.090 211 HB2 TYR 32 2HB TYR 32 4.161 7.988 -3.834 212 HB3 TYR 32 1HB TYR 32 4.553 9.069 -5.171 213 HD1 TYR 32 1HD TYR 32 4.246 5.509 -4.171 214 HD2 TYR 32 2HD TYR 32 4.723 8.269 -7.422 215 HE1 TYR 32 1HE TYR 32 3.800 3.681 -5.784 216 HE2 TYR 32 2HE TYR 32 4.277 6.442 -9.038 217 HH TYR 32 HH TYR 32 4.241 4.121 -9.223 218 H ARG 33 H ARG 33 4.930 10.091 -3.513 219 HA ARG 33 HA ARG 33 6.823 12.137 -4.204 220 HB2 ARG 33 1HB ARG 33 4.234 12.184 -2.647 221 HB3 ARG 33 2HB ARG 33 5.197 13.627 -2.965 222 HG2 ARG 33 1HG ARG 33 4.989 13.295 -5.368 223 HG3 ARG 33 2HG ARG 33 4.151 11.763 -5.115 224 HD2 ARG 33 1HD ARG 33 3.129 14.421 -4.089 225 HD3 ARG 33 2HD ARG 33 2.627 13.707 -5.619 226 HE ARG 33 HE ARG 33 2.243 11.775 -3.629 227 HH11 ARG 33 1HH1 ARG 33 0.175 11.476 -2.739 228 HH12 ARG 33 2HH1 ARG 33 -0.996 12.748 -2.834 229 HH21 ARG 33 2HH2 ARG 33 -0.465 14.700 -3.843 230 HH22 ARG 33 1HH2 ARG 33 1.113 14.923 -4.522 Start of MODEL 5 1 HA ASN 1 HA ASN 1 -0.402 -1.938 12.377 2 HB2 ASN 1 1HB ASN 1 -0.825 0.544 12.647 3 HB3 ASN 1 2HB ASN 1 -0.435 -0.303 14.144 4 HD21 ASN 1 1HD2 ASN 1 2.100 2.063 14.744 5 HD22 ASN 1 2HD2 ASN 1 0.737 1.241 15.334 6 H CYS 2 H CYS 2 -1.241 -0.610 10.521 7 HA CYS 2 HA CYS 2 -1.114 -0.051 8.298 8 HB2 CYS 2 2HB CYS 2 -0.151 2.002 9.083 9 HB3 CYS 2 1HB CYS 2 1.417 1.241 9.329 10 H ALA 3 H ALA 3 0.229 -0.263 6.298 11 HA ALA 3 HA ALA 3 1.465 -2.897 6.268 12 HB1 ALA 3 3HB ALA 3 0.349 -1.027 4.288 13 HB2 ALA 3 1HB ALA 3 0.355 -2.791 4.291 14 HB3 ALA 3 2HB ALA 3 1.781 -1.899 3.740 15 H LYS 4 H LYS 4 3.445 -3.047 4.748 16 HA LYS 4 HA LYS 4 5.314 -0.839 5.258 17 HB2 LYS 4 1HB LYS 4 7.088 -2.414 5.831 18 HB3 LYS 4 2HB LYS 4 5.733 -2.610 6.942 19 HG2 LYS 4 1HG LYS 4 5.724 -4.795 6.394 20 HG3 LYS 4 2HG LYS 4 5.113 -4.297 4.817 21 HD2 LYS 4 1HD LYS 4 7.039 -5.600 4.333 22 HD3 LYS 4 2HD LYS 4 7.569 -3.926 4.160 23 HE2 LYS 4 1HE LYS 4 9.258 -4.618 5.545 24 HE3 LYS 4 2HE LYS 4 8.062 -4.299 6.801 25 HZ1 LYS 4 3HZ LYS 4 8.215 -6.929 5.467 26 HZ2 LYS 4 1HZ LYS 4 7.520 -6.537 6.964 27 HZ3 LYS 4 2HZ LYS 4 9.211 -6.558 6.795 28 H GLU 5 H GLU 5 6.903 -0.594 3.678 29 HA GLU 5 HA GLU 5 6.273 -0.821 1.090 30 HB2 GLU 5 1HB GLU 5 8.281 0.333 1.984 31 HB3 GLU 5 2HB GLU 5 9.067 -1.235 2.170 32 HG2 GLU 5 1HG GLU 5 8.847 -1.649 -0.232 33 HG3 GLU 5 2HG GLU 5 8.020 -0.109 -0.433 34 H GLY 6 H GLY 6 5.680 -2.446 -0.154 35 HA2 GLY 6 1HA GLY 6 6.313 -4.455 -1.362 36 HA3 GLY 6 2HA GLY 6 7.084 -5.042 0.104 37 H GLU 7 H GLU 7 4.289 -3.641 1.134 38 HA GLU 7 HA GLU 7 2.925 -6.237 1.243 39 HB2 GLU 7 1HB GLU 7 2.875 -3.756 2.875 40 HB3 GLU 7 2HB GLU 7 1.382 -4.685 2.778 41 HG2 GLU 7 1HG GLU 7 4.031 -5.988 3.410 42 HG3 GLU 7 2HG GLU 7 3.002 -5.305 4.667 43 H VAL 8 H VAL 8 0.574 -6.291 0.928 44 HA VAL 8 HA VAL 8 -0.143 -4.801 -1.468 45 HB VAL 8 HB VAL 8 -1.819 -6.381 -1.799 46 HG11 VAL 8 1HG1 VAL 8 -0.225 -8.250 -0.149 47 HG12 VAL 8 2HG1 VAL 8 0.704 -7.275 -1.284 48 HG13 VAL 8 3HG1 VAL 8 -0.598 -8.304 -1.871 49 HG21 VAL 8 3HG2 VAL 8 -1.758 -6.651 1.207 50 HG22 VAL 8 1HG2 VAL 8 -2.498 -7.901 0.208 51 HG23 VAL 8 2HG2 VAL 8 -3.124 -6.254 0.166 52 H CYS 9 H CYS 9 -1.822 -3.323 -1.638 53 HA CYS 9 HA CYS 9 -3.101 -2.515 0.925 54 HB2 CYS 9 2HB CYS 9 -2.930 -0.236 0.243 55 HB3 CYS 9 1HB CYS 9 -1.340 -0.945 -0.028 56 H GLY 10 H GLY 10 -5.138 -1.198 0.503 57 HA2 GLY 10 1HA GLY 10 -7.162 -0.832 -0.568 58 HA3 GLY 10 2HA GLY 10 -6.526 -1.664 -1.986 59 H TRP 11 H TRP 11 -5.748 -3.680 0.368 60 HA TRP 11 HA TRP 11 -8.355 -4.911 0.640 61 HB2 TRP 11 2HB TRP 11 -5.998 -6.442 -0.404 62 HB3 TRP 11 1HB TRP 11 -7.656 -6.999 -0.256 63 HD1 TRP 11 1HD TRP 11 -5.359 -5.499 -2.673 64 HE1 TRP 11 1HE TRP 11 -6.635 -4.613 -4.732 65 HE3 TRP 11 3HE TRP 11 -10.066 -5.594 -0.831 66 HZ2 TRP 11 2HZ TRP 11 -9.339 -4.006 -5.482 67 HZ3 TRP 11 3HZ TRP 11 -11.999 -4.852 -2.214 68 HH2 TRP 11 2HH TRP 11 -11.635 -4.054 -4.536 69 H GLY 12 H GLY 12 -5.591 -3.895 2.016 70 HA2 GLY 12 1HA GLY 12 -6.050 -5.414 4.442 71 HA3 GLY 12 2HA GLY 12 -4.497 -5.728 3.671 72 H SER 13 H SER 13 -4.370 -2.929 2.638 73 HA SER 13 HA SER 13 -4.236 -1.278 5.021 74 HB2 SER 13 1HB SER 13 -2.113 -2.650 5.005 75 HB3 SER 13 2HB SER 13 -1.695 -1.838 3.498 76 HG SER 13 HG SER 13 -2.532 -0.213 5.581 77 H LYS 14 H LYS 14 -3.076 0.891 4.361 78 HA LYS 14 HA LYS 14 -3.600 1.575 1.568 79 HB2 LYS 14 1HB LYS 14 -4.918 2.882 3.950 80 HB3 LYS 14 2HB LYS 14 -4.837 3.625 2.357 81 HG2 LYS 14 1HG LYS 14 -5.991 1.665 1.380 82 HG3 LYS 14 2HG LYS 14 -6.085 0.934 2.982 83 HD2 LYS 14 1HD LYS 14 -7.431 2.836 3.784 84 HD3 LYS 14 2HD LYS 14 -7.337 3.577 2.185 85 HE2 LYS 14 1HE LYS 14 -8.480 1.623 1.204 86 HE3 LYS 14 2HE LYS 14 -8.570 0.872 2.799 87 HZ1 LYS 14 3HZ LYS 14 -9.648 3.578 2.415 88 HZ2 LYS 14 1HZ LYS 14 -10.109 2.385 3.528 89 HZ3 LYS 14 2HZ LYS 14 -10.559 2.241 1.895 90 H CYS 15 H CYS 15 -1.130 1.259 2.862 91 HA CYS 15 HA CYS 15 0.877 2.318 3.207 92 HB2 CYS 15 2HB CYS 15 -0.604 4.274 1.474 93 HB3 CYS 15 1HB CYS 15 0.981 4.646 2.085 94 H CYS 16 H CYS 16 1.512 2.970 5.165 95 HA CYS 16 HA CYS 16 0.070 4.121 7.133 96 HB2 CYS 16 2HB CYS 16 2.917 4.981 6.671 97 HB3 CYS 16 1HB CYS 16 2.086 4.731 8.206 98 H HIS 17 H HIS 17 2.266 6.103 5.153 99 HA HIS 17 HA HIS 17 0.388 8.138 4.584 100 HB2 HIS 17 1HB HIS 17 0.653 8.451 7.095 101 HB3 HIS 17 2HB HIS 17 2.330 8.877 6.778 102 HD1 HIS 17 HD1 HIS 17 -1.071 9.917 5.376 103 HD2 HIS 17 HD2 HIS 17 2.597 11.590 6.433 104 HE1 HIS 17 HE1 HIS 17 -1.276 12.408 4.967 105 H GLY 18 H GLY 18 3.600 7.067 5.088 106 HA2 GLY 18 1HA GLY 18 4.729 9.094 3.276 107 HA3 GLY 18 2HA GLY 18 5.652 7.980 4.279 108 H LEU 19 H LEU 19 3.208 6.240 2.903 109 HA LEU 19 HA LEU 19 4.921 5.369 0.668 110 HB2 LEU 19 1HB LEU 19 3.052 3.831 2.463 111 HB3 LEU 19 2HB LEU 19 3.655 3.172 0.953 112 HG LEU 19 HG LEU 19 5.454 4.250 3.139 113 HD11 LEU 19 1HD1 LEU 19 4.065 2.308 3.914 114 HD12 LEU 19 2HD1 LEU 19 5.791 1.955 3.856 115 HD13 LEU 19 3HD1 LEU 19 4.728 1.360 2.584 116 HD21 LEU 19 3HD2 LEU 19 6.800 4.128 1.253 117 HD22 LEU 19 1HD2 LEU 19 5.851 2.836 0.516 118 HD23 LEU 19 2HD2 LEU 19 6.958 2.473 1.835 119 H ASP 20 H ASP 20 3.898 4.715 -1.255 120 HA ASP 20 HA ASP 20 1.299 6.029 -1.720 121 HB2 ASP 20 1HB ASP 20 3.515 5.364 -3.678 122 HB3 ASP 20 2HB ASP 20 1.995 6.159 -4.084 123 H CYS 21 H CYS 21 -0.393 4.817 -2.346 124 HA CYS 21 HA CYS 21 0.128 2.107 -3.351 125 HB2 CYS 21 2HB CYS 21 -0.543 1.317 -1.352 126 HB3 CYS 21 1HB CYS 21 -1.284 2.856 -0.889 127 HA PRO 22 HA PRO 22 -2.881 3.906 -6.214 128 HB2 PRO 22 2HB PRO 22 -2.620 2.038 -8.175 129 HB3 PRO 22 1HB PRO 22 -1.443 3.342 -7.929 130 HG2 PRO 22 2HG PRO 22 -1.295 0.490 -7.095 131 HG3 PRO 22 1HG PRO 22 -0.032 1.535 -7.741 132 HD2 PRO 22 2HD PRO 22 -0.295 0.933 -5.106 133 HD3 PRO 22 1HD PRO 22 0.455 2.436 -5.697 134 H LEU 23 H LEU 23 -4.971 3.305 -7.019 135 HA LEU 23 HA LEU 23 -6.197 1.206 -5.401 136 HB2 LEU 23 1HB LEU 23 -7.276 3.503 -7.038 137 HB3 LEU 23 2HB LEU 23 -8.333 2.234 -6.425 138 HG LEU 23 HG LEU 23 -8.226 4.204 -4.897 139 HD11 LEU 23 1HD1 LEU 23 -8.370 2.882 -3.041 140 HD12 LEU 23 2HD1 LEU 23 -6.789 2.149 -3.321 141 HD13 LEU 23 3HD1 LEU 23 -8.202 1.567 -4.204 142 HD21 LEU 23 3HD2 LEU 23 -6.221 4.896 -3.874 143 HD22 LEU 23 1HD2 LEU 23 -5.739 4.588 -5.541 144 HD23 LEU 23 2HD2 LEU 23 -5.387 3.399 -4.288 145 H ALA 24 H ALA 24 -5.851 -0.719 -6.331 146 HA ALA 24 HA ALA 24 -7.032 -1.153 -8.976 147 HB1 ALA 24 3HB ALA 24 -4.292 -2.193 -8.216 148 HB2 ALA 24 1HB ALA 24 -4.587 -0.841 -9.311 149 HB3 ALA 24 2HB ALA 24 -5.134 -2.459 -9.746 150 H PHE 25 H PHE 25 -5.760 -3.884 -8.885 151 HA PHE 25 HA PHE 25 -7.753 -5.086 -7.098 152 HB2 PHE 25 2HB PHE 25 -8.042 -6.021 -9.210 153 HB3 PHE 25 1HB PHE 25 -6.317 -6.024 -9.559 154 HD1 PHE 25 1HD PHE 25 -8.245 -7.292 -6.595 155 HD2 PHE 25 2HD PHE 25 -5.667 -8.246 -9.897 156 HE1 PHE 25 1HE PHE 25 -8.078 -9.626 -5.792 157 HE2 PHE 25 2HE PHE 25 -5.495 -10.577 -9.086 158 HZ PHE 25 HZ PHE 25 -6.702 -11.271 -7.034 159 H ILE 26 H ILE 26 -4.318 -5.285 -7.952 160 HA ILE 26 HA ILE 26 -3.796 -6.412 -5.278 161 HB ILE 26 HB ILE 26 -1.811 -7.601 -6.544 162 HG12 ILE 26 1HG1 ILE 26 -2.514 -8.369 -8.800 163 HG13 ILE 26 2HG1 ILE 26 -3.904 -7.296 -8.730 164 HG21 ILE 26 1HG2 ILE 26 -4.693 -8.388 -6.292 165 HG22 ILE 26 2HG2 ILE 26 -3.287 -8.997 -5.419 166 HG23 ILE 26 3HG2 ILE 26 -3.565 -9.485 -7.090 167 HD11 ILE 26 3HD1 ILE 26 -2.488 -5.345 -8.696 168 HD12 ILE 26 1HD1 ILE 26 -1.935 -6.379 -10.011 169 HD13 ILE 26 2HD1 ILE 26 -1.043 -6.338 -8.493 170 HA PRO 27 HA PRO 27 -1.131 -2.700 -6.448 171 HB2 PRO 27 2HB PRO 27 -2.189 -0.878 -4.735 172 HB3 PRO 27 1HB PRO 27 -2.801 -1.127 -6.377 173 HG2 PRO 27 2HG PRO 27 -3.872 -2.110 -3.798 174 HG3 PRO 27 1HG PRO 27 -4.734 -1.494 -5.208 175 HD2 PRO 27 2HD PRO 27 -4.511 -4.164 -4.671 176 HD3 PRO 27 1HD PRO 27 -4.675 -3.493 -6.307 177 H TYR 28 H TYR 28 0.584 -1.908 -5.217 178 HA TYR 28 HA TYR 28 0.909 -3.058 -2.519 179 HB2 TYR 28 2HB TYR 28 2.750 -2.972 -4.869 180 HB3 TYR 28 1HB TYR 28 3.428 -2.954 -3.242 181 HD1 TYR 28 1HD TYR 28 0.795 -4.772 -5.216 182 HD2 TYR 28 2HD TYR 28 3.856 -4.994 -2.222 183 HE1 TYR 28 1HE TYR 28 0.446 -7.216 -5.042 184 HE2 TYR 28 2HE TYR 28 3.514 -7.434 -2.041 185 HH TYR 28 HH TYR 28 2.306 -9.277 -4.107 186 H CYS 29 H CYS 29 2.120 -1.896 -1.005 187 HA CYS 29 HA CYS 29 1.979 0.985 -1.346 188 HB2 CYS 29 2HB CYS 29 2.256 -0.904 0.917 189 HB3 CYS 29 1HB CYS 29 3.090 0.637 1.099 190 H GLU 30 H GLU 30 3.598 2.010 -2.291 191 HA GLU 30 HA GLU 30 6.358 1.232 -1.594 192 HB2 GLU 30 1HB GLU 30 5.324 1.876 -4.365 193 HB3 GLU 30 2HB GLU 30 7.028 1.694 -3.942 194 HG2 GLU 30 1HG GLU 30 6.579 -0.606 -3.158 195 HG3 GLU 30 2HG GLU 30 4.888 -0.428 -3.616 196 H LYS 31 H LYS 31 7.812 2.923 -1.412 197 HA LYS 31 HA LYS 31 6.801 5.447 -0.674 198 HB2 LYS 31 1HB LYS 31 9.163 6.161 -0.658 199 HB3 LYS 31 2HB LYS 31 8.957 4.598 0.132 200 HG2 LYS 31 1HG LYS 31 9.655 3.456 -1.945 201 HG3 LYS 31 2HG LYS 31 9.875 5.019 -2.732 202 HD2 LYS 31 1HD LYS 31 11.611 5.630 -1.140 203 HD3 LYS 31 2HD LYS 31 11.340 4.145 -0.227 204 HE2 LYS 31 1HE LYS 31 13.292 3.899 -1.703 205 HE3 LYS 31 2HE LYS 31 11.995 2.815 -2.209 206 HZ1 LYS 31 3HZ LYS 31 11.527 4.075 -4.044 207 HZ2 LYS 31 1HZ LYS 31 13.205 4.304 -3.941 208 HZ3 LYS 31 2HZ LYS 31 12.149 5.507 -3.374 209 H TYR 32 H TYR 32 7.702 7.522 -1.713 210 HA TYR 32 HA TYR 32 6.590 7.741 -4.325 211 HB2 TYR 32 2HB TYR 32 8.284 9.631 -2.680 212 HB3 TYR 32 1HB TYR 32 7.575 10.060 -4.237 213 HD1 TYR 32 1HD TYR 32 6.901 9.331 -0.702 214 HD2 TYR 32 2HD TYR 32 5.136 10.237 -4.511 215 HE1 TYR 32 1HE TYR 32 4.754 9.862 0.420 216 HE2 TYR 32 2HE TYR 32 2.989 10.767 -3.389 217 HH TYR 32 HH TYR 32 2.648 10.486 0.151 218 H ARG 33 H ARG 33 7.558 7.897 -6.310 219 HA ARG 33 HA ARG 33 10.303 6.891 -6.477 220 HB2 ARG 33 1HB ARG 33 9.741 6.744 -8.945 221 HB3 ARG 33 2HB ARG 33 8.758 5.732 -7.886 222 HG2 ARG 33 1HG ARG 33 6.944 7.335 -7.933 223 HG3 ARG 33 2HG ARG 33 7.934 8.493 -8.821 224 HD2 ARG 33 1HD ARG 33 7.185 5.748 -9.858 225 HD3 ARG 33 2HD ARG 33 6.338 7.231 -10.284 226 HE ARG 33 HE ARG 33 9.059 7.632 -10.818 227 HH11 ARG 33 1HH1 ARG 33 9.841 7.384 -12.935 228 HH12 ARG 33 2HH1 ARG 33 8.947 6.437 -14.077 229 HH21 ARG 33 2HH2 ARG 33 7.008 5.454 -13.460 230 HH22 ARG 33 1HH2 ARG 33 6.416 5.646 -11.843 Start of MODEL 6 1 HA ASN 1 HA ASN 1 1.059 -0.676 12.925 2 HB2 ASN 1 1HB ASN 1 1.830 -3.462 12.004 3 HB3 ASN 1 2HB ASN 1 2.892 -2.059 12.104 4 HD21 ASN 1 1HD2 ASN 1 2.702 -4.351 15.292 5 HD22 ASN 1 2HD2 ASN 1 2.430 -4.843 13.690 6 H CYS 2 H CYS 2 1.812 0.052 10.833 7 HA CYS 2 HA CYS 2 -0.208 -0.187 8.789 8 HB2 CYS 2 2HB CYS 2 1.085 1.504 7.632 9 HB3 CYS 2 1HB CYS 2 0.840 1.976 9.311 10 H ALA 3 H ALA 3 1.133 -0.004 6.450 11 HA ALA 3 HA ALA 3 2.370 -2.674 6.246 12 HB1 ALA 3 3HB ALA 3 0.429 -1.282 4.660 13 HB2 ALA 3 1HB ALA 3 1.052 -2.923 4.451 14 HB3 ALA 3 2HB ALA 3 1.880 -1.563 3.683 15 H LYS 4 H LYS 4 4.481 -2.799 5.879 16 HA LYS 4 HA LYS 4 5.968 -0.393 5.225 17 HB2 LYS 4 1HB LYS 4 7.122 -3.167 5.431 18 HB3 LYS 4 2HB LYS 4 7.904 -1.622 5.755 19 HG2 LYS 4 1HG LYS 4 7.443 -2.094 7.929 20 HG3 LYS 4 2HG LYS 4 5.830 -1.521 7.525 21 HD2 LYS 4 1HD LYS 4 5.357 -3.596 8.476 22 HD3 LYS 4 2HD LYS 4 5.444 -4.008 6.766 23 HE2 LYS 4 1HE LYS 4 7.784 -4.724 7.040 24 HE3 LYS 4 2HE LYS 4 7.733 -4.270 8.743 25 HZ1 LYS 4 3HZ LYS 4 7.179 -6.718 7.837 26 HZ2 LYS 4 1HZ LYS 4 5.621 -6.049 7.867 27 HZ3 LYS 4 2HZ LYS 4 6.556 -6.083 9.285 28 H GLU 5 H GLU 5 7.109 -0.109 3.348 29 HA GLU 5 HA GLU 5 6.048 -0.637 0.964 30 HB2 GLU 5 1HB GLU 5 8.007 0.826 1.359 31 HB3 GLU 5 2HB GLU 5 9.021 -0.606 1.527 32 HG2 GLU 5 1HG GLU 5 8.474 -1.283 -0.758 33 HG3 GLU 5 2HG GLU 5 7.417 0.115 -0.933 34 H GLY 6 H GLY 6 5.692 -2.342 -0.302 35 HA2 GLY 6 1HA GLY 6 6.451 -4.364 -1.400 36 HA3 GLY 6 2HA GLY 6 7.302 -4.791 0.082 37 H GLU 7 H GLU 7 4.545 -3.573 1.240 38 HA GLU 7 HA GLU 7 3.284 -6.221 1.416 39 HB2 GLU 7 1HB GLU 7 2.891 -3.690 3.032 40 HB3 GLU 7 2HB GLU 7 1.954 -5.164 3.264 41 HG2 GLU 7 1HG GLU 7 4.971 -4.970 3.491 42 HG3 GLU 7 2HG GLU 7 3.857 -5.014 4.851 43 H VAL 8 H VAL 8 1.086 -6.540 0.957 44 HA VAL 8 HA VAL 8 0.091 -5.046 -1.255 45 HB VAL 8 HB VAL 8 -1.725 -6.553 -1.284 46 HG11 VAL 8 1HG1 VAL 8 -0.458 -8.364 -1.725 47 HG12 VAL 8 2HG1 VAL 8 0.014 -8.532 -0.035 48 HG13 VAL 8 3HG1 VAL 8 0.910 -7.446 -1.096 49 HG21 VAL 8 3HG2 VAL 8 -1.108 -6.831 1.653 50 HG22 VAL 8 1HG2 VAL 8 -1.996 -8.099 0.808 51 HG23 VAL 8 2HG2 VAL 8 -2.648 -6.461 0.877 52 H CYS 9 H CYS 9 -1.514 -3.513 -1.385 53 HA CYS 9 HA CYS 9 -3.121 -2.865 0.930 54 HB2 CYS 9 2HB CYS 9 -2.318 -0.436 0.842 55 HB3 CYS 9 1HB CYS 9 -1.261 -1.600 1.629 56 H GLY 10 H GLY 10 -4.555 -0.937 0.484 57 HA2 GLY 10 1HA GLY 10 -5.606 0.483 -1.170 58 HA3 GLY 10 2HA GLY 10 -5.181 -0.708 -2.394 59 H TRP 11 H TRP 11 -5.974 -2.793 -0.236 60 HA TRP 11 HA TRP 11 -8.874 -2.473 -0.388 61 HB2 TRP 11 2HB TRP 11 -7.479 -5.027 -1.109 62 HB3 TRP 11 1HB TRP 11 -9.194 -4.670 -1.239 63 HD1 TRP 11 1HD TRP 11 -6.154 -4.661 -3.208 64 HE1 TRP 11 1HE TRP 11 -6.445 -3.304 -5.390 65 HE3 TRP 11 3HE TRP 11 -10.428 -2.231 -2.085 66 HZ2 TRP 11 2HZ TRP 11 -8.302 -1.408 -6.494 67 HZ3 TRP 11 3HZ TRP 11 -11.471 -0.645 -3.693 68 HH2 TRP 11 2HH TRP 11 -10.405 -0.230 -5.895 69 H GLY 12 H GLY 12 -6.100 -3.369 1.296 70 HA2 GLY 12 1HA GLY 12 -7.751 -4.331 3.548 71 HA3 GLY 12 2HA GLY 12 -6.322 -5.239 3.062 72 H SER 13 H SER 13 -4.719 -2.950 2.405 73 HA SER 13 HA SER 13 -4.266 -1.813 5.091 74 HB2 SER 13 1HB SER 13 -2.374 -2.975 3.112 75 HB3 SER 13 2HB SER 13 -1.819 -1.680 4.163 76 HG SER 13 HG SER 13 -3.053 -3.209 5.776 77 H LYS 14 H LYS 14 -3.556 0.314 5.235 78 HA LYS 14 HA LYS 14 -3.996 1.934 2.810 79 HB2 LYS 14 1HB LYS 14 -4.472 2.608 5.716 80 HB3 LYS 14 2HB LYS 14 -4.667 3.739 4.380 81 HG2 LYS 14 1HG LYS 14 -6.304 2.094 3.357 82 HG3 LYS 14 2HG LYS 14 -6.230 1.191 4.868 83 HD2 LYS 14 1HD LYS 14 -6.957 4.127 4.737 84 HD3 LYS 14 2HD LYS 14 -8.157 2.839 4.684 85 HE2 LYS 14 1HE LYS 14 -7.233 1.987 6.867 86 HE3 LYS 14 2HE LYS 14 -6.213 3.422 6.937 87 HZ1 LYS 14 3HZ LYS 14 -8.888 4.141 6.364 88 HZ2 LYS 14 1HZ LYS 14 -7.902 4.625 7.657 89 HZ3 LYS 14 2HZ LYS 14 -8.826 3.204 7.781 90 H CYS 15 H CYS 15 -1.496 0.660 4.050 91 HA CYS 15 HA CYS 15 0.690 1.226 4.409 92 HB2 CYS 15 2HB CYS 15 -0.292 3.514 2.721 93 HB3 CYS 15 1HB CYS 15 1.388 3.319 3.180 94 H CYS 16 H CYS 16 2.174 2.831 5.423 95 HA CYS 16 HA CYS 16 1.131 3.785 7.877 96 HB2 CYS 16 2HB CYS 16 3.758 4.681 6.751 97 HB3 CYS 16 1HB CYS 16 3.328 4.347 8.427 98 H HIS 17 H HIS 17 2.649 5.674 5.257 99 HA HIS 17 HA HIS 17 0.745 7.637 4.961 100 HB2 HIS 17 1HB HIS 17 2.096 7.890 7.531 101 HB3 HIS 17 2HB HIS 17 2.346 9.310 6.524 102 HD1 HIS 17 HD1 HIS 17 -0.228 7.551 8.519 103 HD2 HIS 17 HD2 HIS 17 -0.119 10.622 5.701 104 HE1 HIS 17 HE1 HIS 17 -2.469 8.725 8.651 105 H GLY 18 H GLY 18 4.023 6.684 5.099 106 HA2 GLY 18 1HA GLY 18 4.904 8.871 3.337 107 HA3 GLY 18 2HA GLY 18 5.950 7.683 4.114 108 H LEU 19 H LEU 19 3.338 6.065 3.013 109 HA LEU 19 HA LEU 19 4.510 5.502 0.375 110 HB2 LEU 19 1HB LEU 19 3.460 3.545 2.412 111 HB3 LEU 19 2HB LEU 19 3.837 3.132 0.748 112 HG LEU 19 HG LEU 19 5.921 4.446 2.468 113 HD11 LEU 19 1HD1 LEU 19 6.667 2.177 3.136 114 HD12 LEU 19 2HD1 LEU 19 5.245 1.485 2.356 115 HD13 LEU 19 3HD1 LEU 19 5.056 2.521 3.771 116 HD21 LEU 19 3HD2 LEU 19 6.321 4.135 0.037 117 HD22 LEU 19 1HD2 LEU 19 5.976 2.412 0.208 118 HD23 LEU 19 2HD2 LEU 19 7.392 3.111 0.992 119 H ASP 20 H ASP 20 2.968 4.524 -1.121 120 HA ASP 20 HA ASP 20 0.144 4.790 -0.477 121 HB2 ASP 20 1HB ASP 20 1.142 7.045 -1.369 122 HB3 ASP 20 2HB ASP 20 1.118 6.220 -2.926 123 H CYS 21 H CYS 21 -1.198 3.681 -1.996 124 HA CYS 21 HA CYS 21 0.262 2.075 -3.968 125 HB2 CYS 21 2HB CYS 21 -2.097 0.746 -2.901 126 HB3 CYS 21 1HB CYS 21 -0.468 0.128 -3.144 127 HA PRO 22 HA PRO 22 -2.962 3.548 -6.652 128 HB2 PRO 22 2HB PRO 22 -2.664 1.741 -8.676 129 HB3 PRO 22 1HB PRO 22 -1.511 3.061 -8.393 130 HG2 PRO 22 2HG PRO 22 -1.310 0.189 -7.618 131 HG3 PRO 22 1HG PRO 22 -0.069 1.268 -8.262 132 HD2 PRO 22 2HD PRO 22 -0.262 0.628 -5.633 133 HD3 PRO 22 1HD PRO 22 0.386 2.181 -6.212 134 H LEU 23 H LEU 23 -5.059 2.839 -7.533 135 HA LEU 23 HA LEU 23 -6.157 0.667 -5.916 136 HB2 LEU 23 1HB LEU 23 -7.404 2.828 -7.621 137 HB3 LEU 23 2HB LEU 23 -8.353 1.500 -6.955 138 HG LEU 23 HG LEU 23 -8.408 3.518 -5.491 139 HD11 LEU 23 1HD1 LEU 23 -8.146 0.928 -4.699 140 HD12 LEU 23 2HD1 LEU 23 -8.398 2.265 -3.578 141 HD13 LEU 23 3HD1 LEU 23 -6.768 1.651 -3.867 142 HD21 LEU 23 3HD2 LEU 23 -6.471 4.448 -4.545 143 HD22 LEU 23 1HD2 LEU 23 -5.957 4.082 -6.192 144 HD23 LEU 23 2HD2 LEU 23 -5.507 3.008 -4.868 145 H ALA 24 H ALA 24 -5.657 -1.228 -6.769 146 HA ALA 24 HA ALA 24 -6.635 -1.822 -9.470 147 HB1 ALA 24 3HB ALA 24 -3.878 -2.615 -8.503 148 HB2 ALA 24 1HB ALA 24 -4.206 -1.321 -9.655 149 HB3 ALA 24 2HB ALA 24 -4.593 -2.992 -10.071 150 H PHE 25 H PHE 25 -5.488 -4.431 -9.515 151 HA PHE 25 HA PHE 25 -7.450 -5.863 -8.018 152 HB2 PHE 25 2HB PHE 25 -4.993 -7.151 -9.156 153 HB3 PHE 25 1HB PHE 25 -6.653 -7.738 -9.132 154 HD1 PHE 25 1HD PHE 25 -4.173 -5.888 -10.961 155 HD2 PHE 25 2HD PHE 25 -8.394 -6.573 -10.592 156 HE1 PHE 25 1HE PHE 25 -4.521 -4.923 -13.209 157 HE2 PHE 25 2HE PHE 25 -8.747 -5.607 -12.849 158 HZ PHE 25 HZ PHE 25 -6.809 -4.782 -14.162 159 H ILE 26 H ILE 26 -3.896 -5.726 -7.845 160 HA ILE 26 HA ILE 26 -4.059 -6.177 -4.947 161 HB ILE 26 HB ILE 26 -3.690 -8.388 -6.064 162 HG12 ILE 26 1HG1 ILE 26 -1.430 -8.807 -4.787 163 HG13 ILE 26 2HG1 ILE 26 -1.659 -7.159 -4.219 164 HG21 ILE 26 1HG2 ILE 26 -0.897 -7.819 -6.705 165 HG22 ILE 26 2HG2 ILE 26 -2.032 -6.944 -7.732 166 HG23 ILE 26 3HG2 ILE 26 -2.108 -8.705 -7.634 167 HD11 ILE 26 3HD1 ILE 26 -4.157 -8.188 -3.804 168 HD12 ILE 26 1HD1 ILE 26 -2.888 -8.141 -2.581 169 HD13 ILE 26 2HD1 ILE 26 -3.151 -9.606 -3.523 170 HA PRO 27 HA PRO 27 -1.069 -2.853 -6.222 171 HB2 PRO 27 2HB PRO 27 -2.316 -1.368 -4.029 172 HB3 PRO 27 1HB PRO 27 -2.101 -0.916 -5.727 173 HG2 PRO 27 2HG PRO 27 -4.509 -1.499 -4.672 174 HG3 PRO 27 1HG PRO 27 -4.086 -1.815 -6.360 175 HD2 PRO 27 2HD PRO 27 -4.215 -3.742 -4.066 176 HD3 PRO 27 1HD PRO 27 -4.704 -3.978 -5.760 177 H TYR 28 H TYR 28 0.746 -2.132 -5.051 178 HA TYR 28 HA TYR 28 1.139 -3.405 -2.422 179 HB2 TYR 28 2HB TYR 28 2.848 -3.309 -4.843 180 HB3 TYR 28 1HB TYR 28 3.659 -3.165 -3.284 181 HD1 TYR 28 1HD TYR 28 0.807 -5.205 -4.722 182 HD2 TYR 28 2HD TYR 28 4.421 -5.172 -2.379 183 HE1 TYR 28 1HE TYR 28 0.613 -7.642 -4.378 184 HE2 TYR 28 2HE TYR 28 4.215 -7.616 -2.041 185 HH TYR 28 HH TYR 28 2.662 -9.360 -2.137 186 H CYS 29 H CYS 29 2.260 -2.260 -0.849 187 HA CYS 29 HA CYS 29 1.865 0.550 -0.866 188 HB2 CYS 29 2HB CYS 29 1.937 -1.104 1.136 189 HB3 CYS 29 1HB CYS 29 3.686 -0.925 1.023 190 H GLU 30 H GLU 30 3.037 1.882 -2.124 191 HA GLU 30 HA GLU 30 5.971 1.648 -1.984 192 HB2 GLU 30 1HB GLU 30 6.181 1.939 -4.398 193 HB3 GLU 30 2HB GLU 30 5.247 0.486 -4.041 194 HG2 GLU 30 1HG GLU 30 3.157 1.886 -4.285 195 HG3 GLU 30 2HG GLU 30 4.178 3.189 -4.887 196 H LYS 31 H LYS 31 7.085 3.604 -2.346 197 HA LYS 31 HA LYS 31 5.664 5.955 -1.580 198 HB2 LYS 31 1HB LYS 31 7.982 5.569 -0.887 199 HB3 LYS 31 2HB LYS 31 8.495 5.582 -2.576 200 HG2 LYS 31 1HG LYS 31 7.872 7.874 -2.836 201 HG3 LYS 31 2HG LYS 31 7.049 7.898 -1.281 202 HD2 LYS 31 1HD LYS 31 9.153 8.987 -0.940 203 HD3 LYS 31 2HD LYS 31 9.308 7.387 -0.218 204 HE2 LYS 31 1HE LYS 31 10.527 6.566 -2.141 205 HE3 LYS 31 2HE LYS 31 10.206 8.051 -3.037 206 HZ1 LYS 31 3HZ LYS 31 11.415 9.221 -1.184 207 HZ2 LYS 31 1HZ LYS 31 12.373 8.246 -2.189 208 HZ3 LYS 31 2HZ LYS 31 11.921 7.689 -0.649 209 H TYR 32 H TYR 32 4.799 7.501 -2.817 210 HA TYR 32 HA TYR 32 5.056 7.245 -5.736 211 HB2 TYR 32 2HB TYR 32 2.988 8.304 -3.894 212 HB3 TYR 32 1HB TYR 32 3.189 9.166 -5.420 213 HD1 TYR 32 1HD TYR 32 3.039 5.630 -4.153 214 HD2 TYR 32 2HD TYR 32 1.977 8.402 -7.260 215 HE1 TYR 32 1HE TYR 32 1.794 3.838 -5.329 216 HE2 TYR 32 2HE TYR 32 0.733 6.610 -8.435 217 HH TYR 32 HH TYR 32 -0.436 4.185 -7.374 218 H ARG 33 H ARG 33 6.235 8.630 -6.889 219 HA ARG 33 HA ARG 33 7.307 11.019 -5.538 220 HB2 ARG 33 1HB ARG 33 9.024 10.976 -7.316 221 HB3 ARG 33 2HB ARG 33 8.981 9.465 -6.410 222 HG2 ARG 33 1HG ARG 33 7.521 8.490 -8.185 223 HG3 ARG 33 2HG ARG 33 7.707 9.979 -9.112 224 HD2 ARG 33 1HD ARG 33 9.322 8.361 -9.925 225 HD3 ARG 33 2HD ARG 33 10.186 9.636 -9.069 226 HE ARG 33 HE ARG 33 10.783 8.076 -7.441 227 HH11 ARG 33 1HH1 ARG 33 10.905 5.955 -6.633 228 HH12 ARG 33 2HH1 ARG 33 9.868 4.728 -7.280 229 HH21 ARG 33 2HH2 ARG 33 8.400 5.237 -8.922 230 HH22 ARG 33 1HH2 ARG 33 8.313 6.856 -9.533 Start of MODEL 7 1 HA ASN 1 HA ASN 1 1.090 -2.107 12.284 2 HB2 ASN 1 1HB ASN 1 -0.784 -3.903 12.246 3 HB3 ASN 1 2HB ASN 1 -0.934 -3.497 10.536 4 HD21 ASN 1 1HD2 ASN 1 1.607 -5.888 9.958 5 HD22 ASN 1 2HD2 ASN 1 -0.012 -5.450 9.693 6 H CYS 2 H CYS 2 -1.440 -1.483 9.831 7 HA CYS 2 HA CYS 2 -1.333 -0.496 7.763 8 HB2 CYS 2 2HB CYS 2 -0.907 1.557 8.875 9 HB3 CYS 2 1HB CYS 2 0.734 1.085 9.292 10 H ALA 3 H ALA 3 0.101 -0.084 5.862 11 HA ALA 3 HA ALA 3 1.702 -2.394 5.345 12 HB1 ALA 3 3HB ALA 3 0.812 -1.683 3.367 13 HB2 ALA 3 1HB ALA 3 2.315 -0.767 3.289 14 HB3 ALA 3 2HB ALA 3 0.835 0.013 3.844 15 H LYS 4 H LYS 4 3.937 -2.481 4.859 16 HA LYS 4 HA LYS 4 5.561 -0.221 5.809 17 HB2 LYS 4 1HB LYS 4 7.072 -1.851 6.931 18 HB3 LYS 4 2HB LYS 4 5.488 -1.706 7.685 19 HG2 LYS 4 1HG LYS 4 5.088 -3.890 7.359 20 HG3 LYS 4 2HG LYS 4 5.294 -3.668 5.623 21 HD2 LYS 4 1HD LYS 4 6.913 -5.294 6.229 22 HD3 LYS 4 2HD LYS 4 7.812 -3.790 6.058 23 HE2 LYS 4 1HE LYS 4 7.742 -3.449 8.491 24 HE3 LYS 4 2HE LYS 4 6.775 -4.912 8.678 25 HZ1 LYS 4 3HZ LYS 4 9.509 -4.751 8.693 26 HZ2 LYS 4 1HZ LYS 4 9.141 -5.396 7.169 27 HZ3 LYS 4 2HZ LYS 4 8.581 -6.170 8.575 28 H GLU 5 H GLU 5 5.027 -0.828 3.128 29 HA GLU 5 HA GLU 5 6.251 -0.871 1.183 30 HB2 GLU 5 1HB GLU 5 8.190 -0.308 2.982 31 HB3 GLU 5 2HB GLU 5 8.736 -1.892 2.425 32 HG2 GLU 5 1HG GLU 5 8.287 -0.967 0.050 33 HG3 GLU 5 2HG GLU 5 8.286 0.615 0.822 34 H GLY 6 H GLY 6 5.937 -2.462 -0.238 35 HA2 GLY 6 1HA GLY 6 6.160 -4.575 -1.209 36 HA3 GLY 6 2HA GLY 6 6.954 -5.142 0.257 37 H GLU 7 H GLU 7 4.181 -3.525 1.122 38 HA GLU 7 HA GLU 7 2.765 -6.054 1.557 39 HB2 GLU 7 1HB GLU 7 2.298 -3.298 2.687 40 HB3 GLU 7 2HB GLU 7 1.364 -4.732 3.110 41 HG2 GLU 7 1HG GLU 7 4.366 -4.487 3.446 42 HG3 GLU 7 2HG GLU 7 3.198 -4.219 4.737 43 H VAL 8 H VAL 8 0.422 -6.111 1.230 44 HA VAL 8 HA VAL 8 -0.281 -4.875 -1.321 45 HB VAL 8 HB VAL 8 -0.810 -7.144 -1.344 46 HG11 VAL 8 1HG1 VAL 8 -0.515 -7.908 0.844 47 HG12 VAL 8 2HG1 VAL 8 -2.265 -8.039 0.669 48 HG13 VAL 8 3HG1 VAL 8 -1.565 -6.665 1.524 49 HG21 VAL 8 3HG2 VAL 8 -3.147 -7.198 -1.622 50 HG22 VAL 8 1HG2 VAL 8 -2.767 -5.488 -1.818 51 HG23 VAL 8 2HG2 VAL 8 -3.423 -6.077 -0.291 52 H CYS 9 H CYS 9 -1.550 -3.148 -1.484 53 HA CYS 9 HA CYS 9 -3.105 -2.327 0.893 54 HB2 CYS 9 2HB CYS 9 -2.571 -0.169 0.418 55 HB3 CYS 9 1HB CYS 9 -1.213 -0.920 -0.411 56 H GLY 10 H GLY 10 -5.164 -1.228 0.446 57 HA2 GLY 10 1HA GLY 10 -7.123 -0.849 -0.755 58 HA3 GLY 10 2HA GLY 10 -6.400 -1.652 -2.147 59 H TRP 11 H TRP 11 -5.691 -3.708 0.193 60 HA TRP 11 HA TRP 11 -8.292 -4.957 0.373 61 HB2 TRP 11 2HB TRP 11 -5.940 -6.510 -0.622 62 HB3 TRP 11 1HB TRP 11 -7.616 -7.011 -0.562 63 HD1 TRP 11 1HD TRP 11 -5.159 -5.567 -2.825 64 HE1 TRP 11 1HE TRP 11 -6.289 -4.651 -4.950 65 HE3 TRP 11 3HE TRP 11 -9.959 -5.539 -1.244 66 HZ2 TRP 11 2HZ TRP 11 -8.933 -3.954 -5.842 67 HZ3 TRP 11 3HZ TRP 11 -11.792 -4.735 -2.726 68 HH2 TRP 11 2HH TRP 11 -11.279 -3.941 -5.022 69 H GLY 12 H GLY 12 -5.352 -4.145 1.680 70 HA2 GLY 12 1HA GLY 12 -5.913 -5.625 4.129 71 HA3 GLY 12 2HA GLY 12 -4.383 -5.996 3.342 72 H SER 13 H SER 13 -3.870 -3.337 2.357 73 HA SER 13 HA SER 13 -3.546 -1.813 4.859 74 HB2 SER 13 1HB SER 13 -1.454 -3.093 4.176 75 HB3 SER 13 2HB SER 13 -1.395 -2.044 2.762 76 HG SER 13 HG SER 13 -1.159 -1.391 5.499 77 H LYS 14 H LYS 14 -2.485 0.431 4.163 78 HA LYS 14 HA LYS 14 -3.597 1.454 1.677 79 HB2 LYS 14 1HB LYS 14 -4.936 3.186 2.789 80 HB3 LYS 14 2HB LYS 14 -5.518 1.570 3.192 81 HG2 LYS 14 1HG LYS 14 -4.260 1.647 5.316 82 HG3 LYS 14 2HG LYS 14 -3.689 3.267 4.920 83 HD2 LYS 14 1HD LYS 14 -6.015 4.078 4.854 84 HD3 LYS 14 2HD LYS 14 -6.590 2.460 5.257 85 HE2 LYS 14 1HE LYS 14 -5.345 2.535 7.380 86 HE3 LYS 14 2HE LYS 14 -4.752 4.148 6.980 87 HZ1 LYS 14 3HZ LYS 14 -6.929 5.018 7.066 88 HZ2 LYS 14 1HZ LYS 14 -6.744 4.076 8.463 89 HZ3 LYS 14 2HZ LYS 14 -7.633 3.474 7.147 90 H CYS 15 H CYS 15 -0.939 1.173 2.946 91 HA CYS 15 HA CYS 15 0.989 2.384 3.247 92 HB2 CYS 15 2HB CYS 15 -0.614 4.165 1.429 93 HB3 CYS 15 1HB CYS 15 0.970 4.629 1.993 94 H CYS 16 H CYS 16 1.394 2.986 5.268 95 HA CYS 16 HA CYS 16 -0.162 4.269 7.063 96 HB2 CYS 16 2HB CYS 16 2.781 4.869 6.826 97 HB3 CYS 16 1HB CYS 16 1.799 4.854 8.290 98 H HIS 17 H HIS 17 2.105 5.905 4.861 99 HA HIS 17 HA HIS 17 0.489 8.033 4.179 100 HB2 HIS 17 1HB HIS 17 1.432 8.294 6.904 101 HB3 HIS 17 2HB HIS 17 2.064 9.592 5.899 102 HD1 HIS 17 HD1 HIS 17 -1.321 7.879 5.604 103 HD2 HIS 17 HD2 HIS 17 0.273 11.641 6.433 104 HE1 HIS 17 HE1 HIS 17 -3.285 9.474 5.743 105 H GLY 18 H GLY 18 3.624 6.858 4.951 106 HA2 GLY 18 1HA GLY 18 4.954 8.792 3.185 107 HA3 GLY 18 2HA GLY 18 5.754 7.596 4.199 108 H LEU 19 H LEU 19 3.269 6.033 2.734 109 HA LEU 19 HA LEU 19 4.965 5.114 0.504 110 HB2 LEU 19 1HB LEU 19 2.996 3.619 2.223 111 HB3 LEU 19 2HB LEU 19 3.697 2.954 0.757 112 HG LEU 19 HG LEU 19 5.359 4.011 3.056 113 HD11 LEU 19 1HD1 LEU 19 3.833 1.946 3.534 114 HD12 LEU 19 2HD1 LEU 19 5.544 1.843 3.936 115 HD13 LEU 19 3HD1 LEU 19 4.942 1.091 2.464 116 HD21 LEU 19 3HD2 LEU 19 6.834 3.910 1.277 117 HD22 LEU 19 1HD2 LEU 19 5.915 2.659 0.440 118 HD23 LEU 19 2HD2 LEU 19 6.926 2.236 1.815 119 H ASP 20 H ASP 20 3.873 4.464 -1.416 120 HA ASP 20 HA ASP 20 1.416 6.004 -1.897 121 HB2 ASP 20 1HB ASP 20 3.440 6.481 -3.300 122 HB3 ASP 20 2HB ASP 20 3.330 4.828 -3.909 123 H CYS 21 H CYS 21 -0.404 4.857 -1.889 124 HA CYS 21 HA CYS 21 -0.289 2.098 -2.895 125 HB2 CYS 21 2HB CYS 21 -0.955 1.602 -0.793 126 HB3 CYS 21 1HB CYS 21 -1.606 3.223 -0.515 127 HA PRO 22 HA PRO 22 -3.151 4.146 -5.784 128 HB2 PRO 22 2HB PRO 22 -2.711 2.465 -7.873 129 HB3 PRO 22 1HB PRO 22 -1.602 3.786 -7.454 130 HG2 PRO 22 2HG PRO 22 -1.360 0.876 -6.907 131 HG3 PRO 22 1HG PRO 22 -0.113 2.054 -7.319 132 HD2 PRO 22 2HD PRO 22 -0.617 1.116 -4.787 133 HD3 PRO 22 1HD PRO 22 0.224 2.638 -5.152 134 H LEU 23 H LEU 23 -5.168 3.533 -6.744 135 HA LEU 23 HA LEU 23 -6.401 1.281 -5.360 136 HB2 LEU 23 1HB LEU 23 -7.460 3.640 -6.915 137 HB3 LEU 23 2HB LEU 23 -8.503 2.289 -6.480 138 HG LEU 23 HG LEU 23 -8.593 4.146 -4.812 139 HD11 LEU 23 1HD1 LEU 23 -8.840 2.690 -3.079 140 HD12 LEU 23 2HD1 LEU 23 -7.205 2.050 -3.255 141 HD13 LEU 23 3HD1 LEU 23 -8.501 1.460 -4.298 142 HD21 LEU 23 3HD2 LEU 23 -6.083 4.653 -5.238 143 HD22 LEU 23 1HD2 LEU 23 -5.780 3.389 -4.046 144 HD23 LEU 23 2HD2 LEU 23 -6.699 4.826 -3.595 145 H ALA 24 H ALA 24 -5.925 -0.547 -6.348 146 HA ALA 24 HA ALA 24 -6.923 -0.947 -9.054 147 HB1 ALA 24 3HB ALA 24 -4.544 -0.364 -9.357 148 HB2 ALA 24 1HB ALA 24 -4.873 -2.038 -9.811 149 HB3 ALA 24 2HB ALA 24 -4.094 -1.679 -8.267 150 H PHE 25 H PHE 25 -6.383 -3.408 -9.609 151 HA PHE 25 HA PHE 25 -7.953 -4.987 -7.889 152 HB2 PHE 25 2HB PHE 25 -7.721 -5.563 -10.234 153 HB3 PHE 25 1HB PHE 25 -5.986 -5.811 -10.039 154 HD1 PHE 25 1HD PHE 25 -9.326 -7.074 -8.949 155 HD2 PHE 25 2HD PHE 25 -5.112 -7.857 -9.229 156 HE1 PHE 25 1HE PHE 25 -9.715 -9.421 -8.247 157 HE2 PHE 25 2HE PHE 25 -5.500 -10.200 -8.530 158 HZ PHE 25 HZ PHE 25 -7.801 -10.985 -8.037 159 H ILE 26 H ILE 26 -4.425 -4.960 -8.407 160 HA ILE 26 HA ILE 26 -4.085 -6.018 -5.685 161 HB ILE 26 HB ILE 26 -3.833 -7.881 -7.244 162 HG12 ILE 26 1HG1 ILE 26 -1.094 -7.086 -6.318 163 HG13 ILE 26 2HG1 ILE 26 -2.359 -7.518 -5.164 164 HG21 ILE 26 1HG2 ILE 26 -2.662 -7.735 -9.187 165 HG22 ILE 26 2HG2 ILE 26 -1.333 -6.874 -8.410 166 HG23 ILE 26 3HG2 ILE 26 -2.763 -5.990 -8.942 167 HD11 ILE 26 3HD1 ILE 26 -2.066 -9.369 -7.437 168 HD12 ILE 26 1HD1 ILE 26 -2.276 -9.715 -5.722 169 HD13 ILE 26 2HD1 ILE 26 -0.676 -9.316 -6.351 170 HA PRO 27 HA PRO 27 -1.242 -2.496 -6.421 171 HB2 PRO 27 2HB PRO 27 -2.348 -0.851 -4.504 172 HB3 PRO 27 1HB PRO 27 -2.795 -0.844 -6.216 173 HG2 PRO 27 2HG PRO 27 -4.361 -1.682 -3.964 174 HG3 PRO 27 1HG PRO 27 -4.833 -1.573 -5.657 175 HD2 PRO 27 2HD PRO 27 -4.098 -3.950 -4.128 176 HD3 PRO 27 1HD PRO 27 -4.906 -3.815 -5.697 177 H TYR 28 H TYR 28 0.509 -1.838 -5.131 178 HA TYR 28 HA TYR 28 0.694 -3.079 -2.453 179 HB2 TYR 28 2HB TYR 28 2.506 -3.277 -4.797 180 HB3 TYR 28 1HB TYR 28 3.260 -3.116 -3.212 181 HD1 TYR 28 1HD TYR 28 0.425 -5.017 -4.841 182 HD2 TYR 28 2HD TYR 28 3.663 -5.059 -2.005 183 HE1 TYR 28 1HE TYR 28 -0.023 -7.409 -4.345 184 HE2 TYR 28 2HE TYR 28 3.211 -7.443 -1.522 185 HH TYR 28 HH TYR 28 2.161 -9.355 -2.540 186 H CYS 29 H CYS 29 1.932 -1.974 -0.906 187 HA CYS 29 HA CYS 29 1.952 0.891 -1.244 188 HB2 CYS 29 2HB CYS 29 2.233 -1.038 0.977 189 HB3 CYS 29 1HB CYS 29 3.120 0.470 1.165 190 H GLU 30 H GLU 30 3.564 1.798 -2.343 191 HA GLU 30 HA GLU 30 6.331 0.973 -1.692 192 HB2 GLU 30 1HB GLU 30 5.218 1.661 -4.419 193 HB3 GLU 30 2HB GLU 30 6.931 1.435 -4.060 194 HG2 GLU 30 1HG GLU 30 6.450 -0.860 -3.270 195 HG3 GLU 30 2HG GLU 30 4.750 -0.635 -3.676 196 H LYS 31 H LYS 31 7.825 2.632 -1.499 197 HA LYS 31 HA LYS 31 6.940 5.155 -0.704 198 HB2 LYS 31 1HB LYS 31 9.068 4.409 0.039 199 HB3 LYS 31 2HB LYS 31 9.627 4.135 -1.610 200 HG2 LYS 31 1HG LYS 31 9.804 6.423 -2.066 201 HG3 LYS 31 2HG LYS 31 8.743 6.871 -0.735 202 HD2 LYS 31 1HD LYS 31 11.211 5.399 0.014 203 HD3 LYS 31 2HD LYS 31 11.443 7.042 -0.588 204 HE2 LYS 31 1HE LYS 31 11.143 7.031 1.861 205 HE3 LYS 31 2HE LYS 31 9.823 7.886 1.065 206 HZ1 LYS 31 3HZ LYS 31 8.446 5.958 1.260 207 HZ2 LYS 31 1HZ LYS 31 9.069 6.328 2.793 208 HZ3 LYS 31 2HZ LYS 31 9.725 5.041 1.898 209 H TYR 32 H TYR 32 6.394 6.940 -1.774 210 HA TYR 32 HA TYR 32 6.017 6.971 -4.550 211 HB2 TYR 32 2HB TYR 32 4.759 8.415 -3.018 212 HB3 TYR 32 1HB TYR 32 6.235 9.307 -2.647 213 HD1 TYR 32 1HD TYR 32 3.968 8.335 -5.439 214 HD2 TYR 32 2HD TYR 32 6.965 11.077 -4.043 215 HE1 TYR 32 1HE TYR 32 3.592 9.763 -7.435 216 HE2 TYR 32 2HE TYR 32 6.590 12.505 -6.036 217 HH TYR 32 HH TYR 32 3.912 12.074 -8.129 218 H ARG 33 H ARG 33 8.510 8.499 -2.568 219 HA ARG 33 HA ARG 33 9.939 9.672 -4.710 220 HB2 ARG 33 1HB ARG 33 10.771 8.894 -1.912 221 HB3 ARG 33 2HB ARG 33 11.837 9.736 -3.037 222 HG2 ARG 33 1HG ARG 33 10.213 11.568 -3.236 223 HG3 ARG 33 2HG ARG 33 9.113 10.725 -2.144 224 HD2 ARG 33 1HD ARG 33 10.801 10.829 -0.353 225 HD3 ARG 33 2HD ARG 33 11.909 11.657 -1.443 226 HE ARG 33 HE ARG 33 9.590 12.811 -0.122 227 HH11 ARG 33 1HH1 ARG 33 9.359 15.057 -0.396 228 HH12 ARG 33 2HH1 ARG 33 10.302 15.877 -1.595 229 HH21 ARG 33 2HH2 ARG 33 11.755 14.717 -2.879 230 HH22 ARG 33 1HH2 ARG 33 11.928 13.007 -2.665 Start of MODEL 8 1 HA ASN 1 HA ASN 1 -3.330 -2.845 9.909 2 HB2 ASN 1 1HB ASN 1 -5.847 -2.862 10.034 3 HB3 ASN 1 2HB ASN 1 -5.872 -1.911 8.548 4 HD21 ASN 1 1HD2 ASN 1 -6.112 -5.247 7.179 5 HD22 ASN 1 2HD2 ASN 1 -7.078 -3.993 7.790 6 H CYS 2 H CYS 2 -2.277 -0.165 9.249 7 HA CYS 2 HA CYS 2 -2.404 0.318 6.468 8 HB2 CYS 2 2HB CYS 2 -0.192 1.528 6.967 9 HB3 CYS 2 1HB CYS 2 -1.633 2.106 7.791 10 H ALA 3 H ALA 3 0.026 0.417 5.432 11 HA ALA 3 HA ALA 3 1.121 -2.323 5.590 12 HB1 ALA 3 3HB ALA 3 1.547 -1.719 3.021 13 HB2 ALA 3 1HB ALA 3 0.059 -0.818 3.274 14 HB3 ALA 3 2HB ALA 3 0.092 -2.557 3.566 15 H LYS 4 H LYS 4 3.289 -2.543 4.840 16 HA LYS 4 HA LYS 4 4.857 -0.046 5.007 17 HB2 LYS 4 1HB LYS 4 5.642 -2.844 5.830 18 HB3 LYS 4 2HB LYS 4 6.665 -1.408 5.931 19 HG2 LYS 4 1HG LYS 4 4.836 -0.354 7.342 20 HG3 LYS 4 2HG LYS 4 4.095 -1.952 7.422 21 HD2 LYS 4 1HD LYS 4 6.190 -2.874 8.349 22 HD3 LYS 4 2HD LYS 4 6.899 -1.259 8.307 23 HE2 LYS 4 1HE LYS 4 4.421 -2.036 9.874 24 HE3 LYS 4 2HE LYS 4 6.028 -1.806 10.563 25 HZ1 LYS 4 3HZ LYS 4 4.900 0.213 10.867 26 HZ2 LYS 4 1HZ LYS 4 4.287 0.217 9.287 27 HZ3 LYS 4 2HZ LYS 4 5.943 0.484 9.553 28 H GLU 5 H GLU 5 6.508 0.241 3.540 29 HA GLU 5 HA GLU 5 6.333 -0.346 0.966 30 HB2 GLU 5 1HB GLU 5 8.126 1.038 2.006 31 HB3 GLU 5 2HB GLU 5 8.975 -0.449 2.432 32 HG2 GLU 5 1HG GLU 5 9.082 -1.082 0.071 33 HG3 GLU 5 2HG GLU 5 8.199 0.374 -0.374 34 H GLY 6 H GLY 6 5.867 -2.160 -0.031 35 HA2 GLY 6 1HA GLY 6 6.718 -4.223 -0.983 36 HA3 GLY 6 2HA GLY 6 7.450 -4.582 0.575 37 H GLU 7 H GLU 7 4.549 -3.299 1.375 38 HA GLU 7 HA GLU 7 3.303 -5.960 1.566 39 HB2 GLU 7 1HB GLU 7 3.086 -3.442 3.185 40 HB3 GLU 7 2HB GLU 7 1.809 -4.650 3.241 41 HG2 GLU 7 1HG GLU 7 3.580 -4.947 5.001 42 HG3 GLU 7 2HG GLU 7 3.348 -6.348 3.961 43 H VAL 8 H VAL 8 1.097 -6.241 1.052 44 HA VAL 8 HA VAL 8 0.211 -4.757 -1.228 45 HB VAL 8 HB VAL 8 -0.333 -7.069 -1.154 46 HG11 VAL 8 1HG1 VAL 8 -1.974 -7.802 0.744 47 HG12 VAL 8 2HG1 VAL 8 -1.376 -6.373 1.588 48 HG13 VAL 8 3HG1 VAL 8 -0.259 -7.657 1.128 49 HG21 VAL 8 3HG2 VAL 8 -2.933 -5.725 -0.403 50 HG22 VAL 8 1HG2 VAL 8 -2.659 -6.989 -1.603 51 HG23 VAL 8 2HG2 VAL 8 -2.110 -5.344 -1.915 52 H CYS 9 H CYS 9 -1.545 -3.376 -1.444 53 HA CYS 9 HA CYS 9 -3.076 -2.593 0.915 54 HB2 CYS 9 2HB CYS 9 -1.343 -1.101 1.371 55 HB3 CYS 9 1HB CYS 9 -0.976 -0.877 -0.319 56 H GLY 10 H GLY 10 -4.710 -0.896 0.367 57 HA2 GLY 10 1HA GLY 10 -5.981 0.278 -1.316 58 HA3 GLY 10 2HA GLY 10 -5.424 -0.897 -2.502 59 H TRP 11 H TRP 11 -5.923 -2.973 -0.257 60 HA TRP 11 HA TRP 11 -8.834 -3.007 -0.322 61 HB2 TRP 11 2HB TRP 11 -7.226 -5.399 -1.142 62 HB3 TRP 11 1HB TRP 11 -8.965 -5.188 -1.216 63 HD1 TRP 11 1HD TRP 11 -5.982 -4.884 -3.260 64 HE1 TRP 11 1HE TRP 11 -6.465 -3.578 -5.432 65 HE3 TRP 11 3HE TRP 11 -10.461 -2.889 -2.027 66 HZ2 TRP 11 2HZ TRP 11 -8.535 -1.884 -6.497 67 HZ3 TRP 11 3HZ TRP 11 -11.696 -1.421 -3.619 68 HH2 TRP 11 2HH TRP 11 -10.730 -0.917 -5.850 69 H GLY 12 H GLY 12 -6.086 -3.185 1.391 70 HA2 GLY 12 1HA GLY 12 -7.423 -4.493 3.631 71 HA3 GLY 12 2HA GLY 12 -5.921 -5.231 3.080 72 H SER 13 H SER 13 -4.690 -2.657 2.324 73 HA SER 13 HA SER 13 -4.353 -1.454 4.995 74 HB2 SER 13 1HB SER 13 -2.235 -2.363 3.072 75 HB3 SER 13 2HB SER 13 -1.924 -1.203 4.350 76 HG SER 13 HG SER 13 -1.975 -3.827 4.519 77 H LYS 14 H LYS 14 -3.174 0.684 4.849 78 HA LYS 14 HA LYS 14 -3.792 2.106 2.360 79 HB2 LYS 14 1HB LYS 14 -4.664 2.886 5.144 80 HB3 LYS 14 2HB LYS 14 -4.645 4.001 3.781 81 HG2 LYS 14 1HG LYS 14 -6.138 2.490 2.521 82 HG3 LYS 14 2HG LYS 14 -6.176 1.391 3.900 83 HD2 LYS 14 1HD LYS 14 -7.170 3.138 5.299 84 HD3 LYS 14 2HD LYS 14 -7.084 4.282 3.960 85 HE2 LYS 14 1HE LYS 14 -9.344 3.348 4.108 86 HE3 LYS 14 2HE LYS 14 -8.562 2.798 2.626 87 HZ1 LYS 14 3HZ LYS 14 -9.591 1.253 4.725 88 HZ2 LYS 14 1HZ LYS 14 -7.914 1.004 4.665 89 HZ3 LYS 14 2HZ LYS 14 -8.862 0.724 3.284 90 H CYS 15 H CYS 15 -1.281 1.165 3.364 91 HA CYS 15 HA CYS 15 0.868 1.893 3.697 92 HB2 CYS 15 2HB CYS 15 -0.400 4.413 2.635 93 HB3 CYS 15 1HB CYS 15 1.314 4.235 2.904 94 H CYS 16 H CYS 16 2.038 2.432 5.412 95 HA CYS 16 HA CYS 16 0.753 4.034 7.531 96 HB2 CYS 16 2HB CYS 16 2.044 1.536 7.587 97 HB3 CYS 16 1HB CYS 16 3.151 2.668 8.356 98 H HIS 17 H HIS 17 3.742 3.661 5.667 99 HA HIS 17 HA HIS 17 5.000 5.855 7.103 100 HB2 HIS 17 1HB HIS 17 5.946 4.020 4.930 101 HB3 HIS 17 2HB HIS 17 6.887 5.392 5.494 102 HD1 HIS 17 HD1 HIS 17 7.272 5.383 8.241 103 HD2 HIS 17 HD2 HIS 17 6.304 1.747 6.448 104 HE1 HIS 17 HE1 HIS 17 7.946 3.574 9.881 105 H GLY 18 H GLY 18 2.665 6.033 5.214 106 HA2 GLY 18 1HA GLY 18 1.854 7.941 4.103 107 HA3 GLY 18 2HA GLY 18 3.514 8.513 3.931 108 H LEU 19 H LEU 19 3.631 5.371 3.189 109 HA LEU 19 HA LEU 19 4.227 5.639 0.496 110 HB2 LEU 19 1HB LEU 19 3.016 3.235 1.886 111 HB3 LEU 19 2HB LEU 19 3.859 3.199 0.354 112 HG LEU 19 HG LEU 19 5.204 4.335 2.782 113 HD11 LEU 19 1HD1 LEU 19 6.071 2.100 3.298 114 HD12 LEU 19 2HD1 LEU 19 5.145 1.412 1.966 115 HD13 LEU 19 3HD1 LEU 19 4.310 2.066 3.377 116 HD21 LEU 19 3HD2 LEU 19 7.113 4.106 1.533 117 HD22 LEU 19 1HD2 LEU 19 5.969 4.203 0.196 118 HD23 LEU 19 2HD2 LEU 19 6.539 2.633 0.749 119 H ASP 20 H ASP 20 3.011 4.897 -1.381 120 HA ASP 20 HA ASP 20 0.110 5.439 -1.162 121 HB2 ASP 20 1HB ASP 20 2.077 6.162 -3.341 122 HB3 ASP 20 2HB ASP 20 0.327 6.246 -3.550 123 H CYS 21 H CYS 21 -1.285 4.036 -2.139 124 HA CYS 21 HA CYS 21 -0.147 1.910 -3.829 125 HB2 CYS 21 2HB CYS 21 -2.061 0.512 -2.528 126 HB3 CYS 21 1HB CYS 21 -0.372 0.551 -2.027 127 HA PRO 22 HA PRO 22 -3.735 3.335 -6.178 128 HB2 PRO 22 2HB PRO 22 -3.277 1.876 -8.427 129 HB3 PRO 22 1HB PRO 22 -2.344 3.332 -8.026 130 HG2 PRO 22 2HG PRO 22 -1.606 0.468 -7.682 131 HG3 PRO 22 1HG PRO 22 -0.612 1.831 -8.204 132 HD2 PRO 22 2HD PRO 22 -0.560 0.780 -5.698 133 HD3 PRO 22 1HD PRO 22 -0.136 2.466 -6.075 134 H LEU 23 H LEU 23 -5.586 2.288 -7.337 135 HA LEU 23 HA LEU 23 -6.447 -0.062 -5.823 136 HB2 LEU 23 1HB LEU 23 -7.773 2.141 -7.315 137 HB3 LEU 23 2HB LEU 23 -8.597 0.582 -7.296 138 HG LEU 23 HG LEU 23 -8.659 0.550 -4.889 139 HD11 LEU 23 1HD1 LEU 23 -6.675 1.399 -4.025 140 HD12 LEU 23 2HD1 LEU 23 -7.722 2.800 -3.793 141 HD13 LEU 23 3HD1 LEU 23 -6.633 2.737 -5.176 142 HD21 LEU 23 3HD2 LEU 23 -10.060 2.448 -4.466 143 HD22 LEU 23 1HD2 LEU 23 -10.264 2.051 -6.173 144 HD23 LEU 23 2HD2 LEU 23 -9.235 3.404 -5.699 145 H ALA 24 H ALA 24 -5.610 -1.836 -6.709 146 HA ALA 24 HA ALA 24 -6.383 -2.499 -9.462 147 HB1 ALA 24 3HB ALA 24 -4.274 -2.723 -10.264 148 HB2 ALA 24 1HB ALA 24 -3.674 -3.399 -8.748 149 HB3 ALA 24 2HB ALA 24 -3.825 -1.651 -8.935 150 H PHE 25 H PHE 25 -5.144 -4.937 -9.690 151 HA PHE 25 HA PHE 25 -6.806 -6.573 -8.139 152 HB2 PHE 25 2HB PHE 25 -6.072 -7.418 -10.234 153 HB3 PHE 25 1HB PHE 25 -4.378 -7.194 -9.824 154 HD1 PHE 25 1HD PHE 25 -6.974 -8.639 -7.528 155 HD2 PHE 25 2HD PHE 25 -3.617 -9.438 -10.097 156 HE1 PHE 25 1HE PHE 25 -6.844 -10.924 -6.646 157 HE2 PHE 25 2HE PHE 25 -3.498 -11.736 -9.199 158 HZ PHE 25 HZ PHE 25 -5.116 -12.486 -7.472 159 H ILE 26 H ILE 26 -3.283 -5.997 -7.832 160 HA ILE 26 HA ILE 26 -3.508 -6.560 -4.967 161 HB ILE 26 HB ILE 26 -1.554 -8.010 -4.925 162 HG12 ILE 26 1HG1 ILE 26 -0.231 -7.372 -6.853 163 HG13 ILE 26 2HG1 ILE 26 -0.738 -9.025 -7.096 164 HG21 ILE 26 1HG2 ILE 26 -3.869 -8.896 -5.230 165 HG22 ILE 26 2HG2 ILE 26 -2.606 -9.971 -5.829 166 HG23 ILE 26 3HG2 ILE 26 -3.546 -9.002 -6.959 167 HD11 ILE 26 3HD1 ILE 26 -2.727 -8.021 -8.394 168 HD12 ILE 26 1HD1 ILE 26 -1.149 -8.024 -9.168 169 HD13 ILE 26 2HD1 ILE 26 -1.766 -6.546 -8.445 170 HA PRO 27 HA PRO 27 -0.894 -2.848 -6.170 171 HB2 PRO 27 2HB PRO 27 -2.497 -1.493 -4.099 172 HB3 PRO 27 1HB PRO 27 -2.151 -1.010 -5.767 173 HG2 PRO 27 2HG PRO 27 -4.573 -1.872 -5.035 174 HG3 PRO 27 1HG PRO 27 -3.876 -2.217 -6.629 175 HD2 PRO 27 2HD PRO 27 -4.074 -4.009 -4.233 176 HD3 PRO 27 1HD PRO 27 -4.374 -4.387 -5.943 177 H TYR 28 H TYR 28 0.717 -1.799 -4.943 178 HA TYR 28 HA TYR 28 1.160 -2.907 -2.243 179 HB2 TYR 28 2HB TYR 28 3.038 -2.662 -4.563 180 HB3 TYR 28 1HB TYR 28 3.663 -2.592 -2.914 181 HD1 TYR 28 1HD TYR 28 1.331 -4.626 -5.031 182 HD2 TYR 28 2HD TYR 28 4.161 -4.590 -1.806 183 HE1 TYR 28 1HE TYR 28 1.178 -7.093 -4.868 184 HE2 TYR 28 2HE TYR 28 4.014 -7.054 -1.639 185 HH TYR 28 HH TYR 28 2.790 -8.872 -2.277 186 H CYS 29 H CYS 29 2.196 -1.601 -0.750 187 HA CYS 29 HA CYS 29 1.645 1.213 -1.054 188 HB2 CYS 29 2HB CYS 29 2.327 -0.657 1.114 189 HB3 CYS 29 1HB CYS 29 2.943 0.975 1.327 190 H GLU 30 H GLU 30 3.090 1.887 -2.667 191 HA GLU 30 HA GLU 30 5.960 1.753 -1.970 192 HB2 GLU 30 1HB GLU 30 4.583 2.213 -4.622 193 HB3 GLU 30 2HB GLU 30 6.326 2.317 -4.376 194 HG2 GLU 30 1HG GLU 30 6.379 -0.016 -3.611 195 HG3 GLU 30 2HG GLU 30 4.630 -0.129 -3.800 196 H LYS 31 H LYS 31 7.231 3.628 -2.101 197 HA LYS 31 HA LYS 31 5.823 6.044 -1.376 198 HB2 LYS 31 1HB LYS 31 8.075 6.967 -1.032 199 HB3 LYS 31 2HB LYS 31 7.911 5.403 -0.241 200 HG2 LYS 31 1HG LYS 31 8.977 4.325 -2.223 201 HG3 LYS 31 2HG LYS 31 9.226 5.925 -2.919 202 HD2 LYS 31 1HD LYS 31 10.578 6.579 -0.971 203 HD3 LYS 31 2HD LYS 31 10.335 4.981 -0.264 204 HE2 LYS 31 1HE LYS 31 11.433 3.950 -2.224 205 HE3 LYS 31 2HE LYS 31 11.691 5.551 -2.916 206 HZ1 LYS 31 3HZ LYS 31 13.649 4.737 -1.736 207 HZ2 LYS 31 1HZ LYS 31 12.751 4.621 -0.303 208 HZ3 LYS 31 2HZ LYS 31 13.028 6.142 -1.009 209 H TYR 32 H TYR 32 5.535 7.846 -2.581 210 HA TYR 32 HA TYR 32 6.809 8.004 -5.231 211 HB2 TYR 32 2HB TYR 32 3.882 7.929 -4.643 212 HB3 TYR 32 1HB TYR 32 4.449 8.982 -5.938 213 HD1 TYR 32 1HD TYR 32 3.690 5.582 -4.991 214 HD2 TYR 32 2HD TYR 32 5.956 7.981 -7.742 215 HE1 TYR 32 1HE TYR 32 3.910 3.633 -6.514 216 HE2 TYR 32 2HE TYR 32 6.174 6.036 -9.261 217 HH TYR 32 HH TYR 32 5.039 2.829 -8.320 218 H ARG 33 H ARG 33 7.515 9.981 -5.754 219 HA ARG 33 HA ARG 33 8.289 12.107 -5.239 220 HB2 ARG 33 1HB ARG 33 5.376 12.798 -5.051 221 HB3 ARG 33 2HB ARG 33 6.686 13.683 -5.837 222 HG2 ARG 33 1HG ARG 33 6.891 11.666 -7.412 223 HG3 ARG 33 2HG ARG 33 5.329 11.152 -6.769 224 HD2 ARG 33 1HD ARG 33 4.330 13.296 -7.443 225 HD3 ARG 33 2HD ARG 33 5.890 13.835 -8.058 226 HE ARG 33 HE ARG 33 5.609 12.430 -9.911 227 HH11 ARG 33 1HH1 ARG 33 4.294 11.164 -11.256 228 HH12 ARG 33 2HH1 ARG 33 2.810 10.516 -10.649 229 HH21 ARG 33 2HH2 ARG 33 2.182 10.932 -8.517 230 HH22 ARG 33 1HH2 ARG 33 3.189 11.900 -7.492 Start of MODEL 9 1 HA ASN 1 HA ASN 1 1.934 -1.327 12.472 2 HB2 ASN 1 1HB ASN 1 1.152 -3.246 13.803 3 HB3 ASN 1 2HB ASN 1 -0.332 -3.307 12.854 4 HD21 ASN 1 1HD2 ASN 1 1.865 -5.782 11.253 5 HD22 ASN 1 2HD2 ASN 1 0.964 -5.634 12.685 6 H CYS 2 H CYS 2 1.799 -0.061 10.670 7 HA CYS 2 HA CYS 2 -0.537 -0.331 8.910 8 HB2 CYS 2 2HB CYS 2 0.919 1.543 7.707 9 HB3 CYS 2 1HB CYS 2 -0.175 1.922 9.034 10 H ALA 3 H ALA 3 0.360 0.096 6.479 11 HA ALA 3 HA ALA 3 1.550 -2.369 5.723 12 HB1 ALA 3 3HB ALA 3 0.476 -1.721 3.860 13 HB2 ALA 3 1HB ALA 3 1.866 -0.676 3.552 14 HB3 ALA 3 2HB ALA 3 0.441 -0.036 4.379 15 H LYS 4 H LYS 4 3.571 -2.844 5.008 16 HA LYS 4 HA LYS 4 5.646 -0.796 5.455 17 HB2 LYS 4 1HB LYS 4 5.848 -3.802 5.689 18 HB3 LYS 4 2HB LYS 4 7.170 -2.655 5.926 19 HG2 LYS 4 1HG LYS 4 5.740 -1.537 7.694 20 HG3 LYS 4 2HG LYS 4 4.642 -2.907 7.567 21 HD2 LYS 4 1HD LYS 4 6.472 -4.449 8.122 22 HD3 LYS 4 2HD LYS 4 7.583 -3.083 8.235 23 HE2 LYS 4 1HE LYS 4 6.224 -2.130 10.066 24 HE3 LYS 4 2HE LYS 4 5.125 -3.505 9.961 25 HZ1 LYS 4 3HZ LYS 4 7.995 -3.547 10.708 26 HZ2 LYS 4 1HZ LYS 4 7.090 -4.946 10.390 27 HZ3 LYS 4 2HZ LYS 4 6.667 -3.939 11.692 28 H GLU 5 H GLU 5 7.108 -0.445 3.848 29 HA GLU 5 HA GLU 5 6.596 -0.605 1.240 30 HB2 GLU 5 1HB GLU 5 8.616 0.450 2.254 31 HB3 GLU 5 2HB GLU 5 9.338 -1.151 2.405 32 HG2 GLU 5 1HG GLU 5 9.190 -1.466 -0.014 33 HG3 GLU 5 2HG GLU 5 8.424 0.109 -0.189 34 H GLY 6 H GLY 6 5.858 -2.238 0.069 35 HA2 GLY 6 1HA GLY 6 6.418 -4.216 -1.217 36 HA3 GLY 6 2HA GLY 6 7.272 -4.833 0.191 37 H GLU 7 H GLU 7 4.452 -3.318 1.172 38 HA GLU 7 HA GLU 7 3.112 -5.914 1.512 39 HB2 GLU 7 1HB GLU 7 2.895 -3.261 2.924 40 HB3 GLU 7 2HB GLU 7 1.635 -4.482 3.086 41 HG2 GLU 7 1HG GLU 7 4.570 -4.989 3.653 42 HG3 GLU 7 2HG GLU 7 3.380 -4.596 4.887 43 H VAL 8 H VAL 8 0.675 -5.839 1.422 44 HA VAL 8 HA VAL 8 -0.103 -4.581 -1.105 45 HB VAL 8 HB VAL 8 -0.619 -6.891 -1.037 46 HG11 VAL 8 1HG1 VAL 8 -2.282 -7.531 0.973 47 HG12 VAL 8 2HG1 VAL 8 -1.386 -6.241 1.773 48 HG13 VAL 8 3HG1 VAL 8 -0.531 -7.646 1.140 49 HG21 VAL 8 3HG2 VAL 8 -3.262 -5.764 -0.170 50 HG22 VAL 8 1HG2 VAL 8 -2.894 -6.818 -1.535 51 HG23 VAL 8 2HG2 VAL 8 -2.491 -5.103 -1.611 52 H CYS 9 H CYS 9 -1.765 -3.155 -1.350 53 HA CYS 9 HA CYS 9 -3.266 -2.325 1.052 54 HB2 CYS 9 2HB CYS 9 -1.879 -0.535 1.165 55 HB3 CYS 9 1HB CYS 9 -1.352 -0.716 -0.501 56 H GLY 10 H GLY 10 -5.173 -0.995 0.518 57 HA2 GLY 10 1HA GLY 10 -6.848 -0.233 -0.958 58 HA3 GLY 10 2HA GLY 10 -6.133 -1.216 -2.237 59 H TRP 11 H TRP 11 -5.898 -3.348 0.003 60 HA TRP 11 HA TRP 11 -8.682 -4.137 0.196 61 HB2 TRP 11 2HB TRP 11 -6.618 -6.000 -0.937 62 HB3 TRP 11 1HB TRP 11 -8.350 -6.251 -0.821 63 HD1 TRP 11 1HD TRP 11 -5.800 -5.073 -3.154 64 HE1 TRP 11 1HE TRP 11 -6.876 -3.879 -5.169 65 HE3 TRP 11 3HE TRP 11 -10.463 -4.415 -1.320 66 HZ2 TRP 11 2HZ TRP 11 -9.428 -2.775 -5.893 67 HZ3 TRP 11 3HZ TRP 11 -12.228 -3.286 -2.672 68 HH2 TRP 11 2HH TRP 11 -11.706 -2.462 -4.956 69 H GLY 12 H GLY 12 -5.679 -3.788 1.511 70 HA2 GLY 12 1HA GLY 12 -6.402 -5.397 3.848 71 HA3 GLY 12 2HA GLY 12 -4.872 -5.773 3.063 72 H SER 13 H SER 13 -4.366 -2.956 2.312 73 HA SER 13 HA SER 13 -4.061 -1.675 4.937 74 HB2 SER 13 1HB SER 13 -2.001 -3.063 4.361 75 HB3 SER 13 2HB SER 13 -1.728 -1.928 3.041 76 HG SER 13 HG SER 13 -2.285 -0.618 5.331 77 H LYS 14 H LYS 14 -2.895 0.563 4.515 78 HA LYS 14 HA LYS 14 -3.797 1.723 1.989 79 HB2 LYS 14 1HB LYS 14 -4.793 2.453 4.718 80 HB3 LYS 14 2HB LYS 14 -4.713 3.665 3.444 81 HG2 LYS 14 1HG LYS 14 -6.077 2.248 1.972 82 HG3 LYS 14 2HG LYS 14 -6.126 0.992 3.207 83 HD2 LYS 14 1HD LYS 14 -8.167 2.091 3.539 84 HD3 LYS 14 2HD LYS 14 -7.126 2.881 4.721 85 HE2 LYS 14 1HE LYS 14 -8.425 4.548 3.463 86 HE3 LYS 14 2HE LYS 14 -6.711 4.722 3.111 87 HZ1 LYS 14 3HZ LYS 14 -7.097 4.313 0.983 88 HZ2 LYS 14 1HZ LYS 14 -8.763 4.307 1.306 89 HZ3 LYS 14 2HZ LYS 14 -7.885 2.852 1.346 90 H CYS 15 H CYS 15 -1.153 1.126 3.039 91 HA CYS 15 HA CYS 15 0.908 2.112 3.284 92 HB2 CYS 15 2HB CYS 15 -0.654 4.171 1.758 93 HB3 CYS 15 1HB CYS 15 0.975 4.507 2.281 94 H CYS 16 H CYS 16 1.620 2.560 5.253 95 HA CYS 16 HA CYS 16 0.362 3.723 7.344 96 HB2 CYS 16 2HB CYS 16 2.809 2.761 7.060 97 HB3 CYS 16 1HB CYS 16 3.221 4.472 6.961 98 H HIS 17 H HIS 17 2.362 5.524 5.016 99 HA HIS 17 HA HIS 17 0.737 7.722 4.730 100 HB2 HIS 17 1HB HIS 17 2.096 7.714 7.335 101 HB3 HIS 17 2HB HIS 17 2.354 9.185 6.400 102 HD1 HIS 17 HD1 HIS 17 -0.097 10.006 5.201 103 HD2 HIS 17 HD2 HIS 17 -0.222 7.937 8.817 104 HE1 HIS 17 HE1 HIS 17 -2.350 10.515 6.239 105 H GLY 18 H GLY 18 3.911 6.482 5.119 106 HA2 GLY 18 1HA GLY 18 5.094 8.564 3.407 107 HA3 GLY 18 2HA GLY 18 5.979 7.308 4.268 108 H LEU 19 H LEU 19 3.336 5.896 2.871 109 HA LEU 19 HA LEU 19 4.855 5.143 0.458 110 HB2 LEU 19 1HB LEU 19 3.005 3.438 2.118 111 HB3 LEU 19 2HB LEU 19 3.839 2.936 0.657 112 HG LEU 19 HG LEU 19 5.223 3.884 3.189 113 HD11 LEU 19 1HD1 LEU 19 5.585 1.641 3.759 114 HD12 LEU 19 2HD1 LEU 19 5.237 1.077 2.124 115 HD13 LEU 19 3HD1 LEU 19 3.920 1.612 3.175 116 HD21 LEU 19 3HD2 LEU 19 6.768 4.226 1.471 117 HD22 LEU 19 1HD2 LEU 19 6.147 2.883 0.505 118 HD23 LEU 19 2HD2 LEU 19 7.120 2.565 1.940 119 H ASP 20 H ASP 20 3.511 4.382 -1.334 120 HA ASP 20 HA ASP 20 0.795 5.522 -1.352 121 HB2 ASP 20 1HB ASP 20 2.569 6.954 -2.566 122 HB3 ASP 20 2HB ASP 20 2.610 5.647 -3.755 123 H CYS 21 H CYS 21 -0.697 4.183 -2.135 124 HA CYS 21 HA CYS 21 0.147 1.894 -3.773 125 HB2 CYS 21 2HB CYS 21 -1.494 0.502 -2.524 126 HB3 CYS 21 1HB CYS 21 -0.126 1.018 -1.550 127 HA PRO 22 HA PRO 22 -3.203 3.958 -6.134 128 HB2 PRO 22 2HB PRO 22 -2.512 1.797 -8.049 129 HB3 PRO 22 1HB PRO 22 -2.583 3.549 -8.309 130 HG2 PRO 22 2HG PRO 22 -0.265 2.233 -8.165 131 HG3 PRO 22 1HG PRO 22 -0.443 3.880 -7.559 132 HD2 PRO 22 2HD PRO 22 -0.223 1.324 -6.047 133 HD3 PRO 22 1HD PRO 22 0.339 2.958 -5.649 134 H LEU 23 H LEU 23 -5.267 3.256 -6.979 135 HA LEU 23 HA LEU 23 -6.314 0.971 -5.513 136 HB2 LEU 23 1HB LEU 23 -7.419 3.382 -6.830 137 HB3 LEU 23 2HB LEU 23 -8.442 1.946 -6.864 138 HG LEU 23 HG LEU 23 -8.441 1.776 -4.474 139 HD11 LEU 23 1HD1 LEU 23 -7.118 3.811 -3.302 140 HD12 LEU 23 2HD1 LEU 23 -6.077 3.587 -4.701 141 HD13 LEU 23 3HD1 LEU 23 -6.357 2.246 -3.586 142 HD21 LEU 23 3HD2 LEU 23 -8.598 4.724 -5.144 143 HD22 LEU 23 1HD2 LEU 23 -9.451 3.886 -3.846 144 HD23 LEU 23 2HD2 LEU 23 -9.867 3.558 -5.530 145 H ALA 24 H ALA 24 -5.804 -0.889 -6.460 146 HA ALA 24 HA ALA 24 -6.836 -1.388 -9.159 147 HB1 ALA 24 3HB ALA 24 -4.074 -1.080 -8.584 148 HB2 ALA 24 1HB ALA 24 -4.808 -1.627 -10.091 149 HB3 ALA 24 2HB ALA 24 -4.355 -2.800 -8.854 150 H PHE 25 H PHE 25 -5.947 -3.958 -9.482 151 HA PHE 25 HA PHE 25 -7.729 -5.477 -7.915 152 HB2 PHE 25 2HB PHE 25 -5.337 -6.752 -9.168 153 HB3 PHE 25 1HB PHE 25 -7.018 -7.267 -9.174 154 HD1 PHE 25 1HD PHE 25 -4.462 -5.671 -11.042 155 HD2 PHE 25 2HD PHE 25 -8.715 -5.709 -10.441 156 HE1 PHE 25 1HE PHE 25 -4.778 -4.582 -13.235 157 HE2 PHE 25 2HE PHE 25 -9.033 -4.616 -12.646 158 HZ PHE 25 HZ PHE 25 -7.064 -4.052 -14.045 159 H ILE 26 H ILE 26 -4.156 -5.384 -7.870 160 HA ILE 26 HA ILE 26 -4.225 -5.954 -4.990 161 HB ILE 26 HB ILE 26 -3.916 -8.115 -6.214 162 HG12 ILE 26 1HG1 ILE 26 -1.579 -8.556 -5.032 163 HG13 ILE 26 2HG1 ILE 26 -1.892 -6.967 -4.340 164 HG21 ILE 26 1HG2 ILE 26 -2.376 -8.384 -7.837 165 HG22 ILE 26 2HG2 ILE 26 -1.134 -7.547 -6.907 166 HG23 ILE 26 3HG2 ILE 26 -2.289 -6.623 -7.868 167 HD11 ILE 26 3HD1 ILE 26 -3.787 -9.319 -4.213 168 HD12 ILE 26 1HD1 ILE 26 -4.062 -7.729 -3.503 169 HD13 ILE 26 2HD1 ILE 26 -2.763 -8.752 -2.895 170 HA PRO 27 HA PRO 27 -1.257 -2.574 -6.227 171 HB2 PRO 27 2HB PRO 27 -2.472 -1.217 -3.920 172 HB3 PRO 27 1HB PRO 27 -2.240 -0.654 -5.585 173 HG2 PRO 27 2HG PRO 27 -4.667 -1.268 -4.641 174 HG3 PRO 27 1HG PRO 27 -4.196 -1.587 -6.313 175 HD2 PRO 27 2HD PRO 27 -4.342 -3.512 -4.033 176 HD3 PRO 27 1HD PRO 27 -4.870 -3.719 -5.713 177 H TYR 28 H TYR 28 0.478 -1.631 -4.937 178 HA TYR 28 HA TYR 28 0.954 -2.956 -2.356 179 HB2 TYR 28 2HB TYR 28 2.554 -3.198 -4.840 180 HB3 TYR 28 1HB TYR 28 3.452 -2.998 -3.335 181 HD1 TYR 28 1HD TYR 28 0.666 -5.042 -4.862 182 HD2 TYR 28 2HD TYR 28 3.803 -4.826 -1.917 183 HE1 TYR 28 1HE TYR 28 0.329 -7.431 -4.302 184 HE2 TYR 28 2HE TYR 28 3.436 -7.210 -1.358 185 HH TYR 28 HH TYR 28 2.255 -9.326 -3.016 186 H CYS 29 H CYS 29 2.007 -1.747 -0.865 187 HA CYS 29 HA CYS 29 2.158 1.084 -1.293 188 HB2 CYS 29 2HB CYS 29 2.542 -0.807 0.993 189 HB3 CYS 29 1HB CYS 29 3.190 0.816 1.124 190 H GLU 30 H GLU 30 3.730 1.472 -2.835 191 HA GLU 30 HA GLU 30 6.373 0.336 -2.498 192 HB2 GLU 30 1HB GLU 30 5.354 0.583 -4.720 193 HB3 GLU 30 2HB GLU 30 5.302 2.333 -4.500 194 HG2 GLU 30 1HG GLU 30 7.723 2.405 -4.294 195 HG3 GLU 30 2HG GLU 30 7.807 0.655 -4.416 196 H LYS 31 H LYS 31 5.200 3.670 -2.875 197 HA LYS 31 HA LYS 31 6.798 4.690 -0.729 198 HB2 LYS 31 1HB LYS 31 8.330 6.038 -2.039 199 HB3 LYS 31 2HB LYS 31 8.545 4.335 -2.440 200 HG2 LYS 31 1HG LYS 31 7.069 4.647 -4.424 201 HG3 LYS 31 2HG LYS 31 6.953 6.364 -4.042 202 HD2 LYS 31 1HD LYS 31 9.445 6.522 -4.201 203 HD3 LYS 31 2HD LYS 31 9.478 4.841 -4.735 204 HE2 LYS 31 1HE LYS 31 7.989 7.089 -6.124 205 HE3 LYS 31 2HE LYS 31 9.518 6.392 -6.661 206 HZ1 LYS 31 3HZ LYS 31 6.849 5.141 -6.580 207 HZ2 LYS 31 1HZ LYS 31 8.252 4.189 -6.595 208 HZ3 LYS 31 2HZ LYS 31 7.934 5.251 -7.881 209 H TYR 32 H TYR 32 6.583 7.030 -0.497 210 HA TYR 32 HA TYR 32 3.944 7.895 -0.875 211 HB2 TYR 32 2HB TYR 32 5.373 8.817 0.872 212 HB3 TYR 32 1HB TYR 32 6.436 9.519 -0.347 213 HD1 TYR 32 1HD TYR 32 2.862 9.484 0.754 214 HD2 TYR 32 2HD TYR 32 6.019 11.685 -1.154 215 HE1 TYR 32 1HE TYR 32 1.404 11.489 0.654 216 HE2 TYR 32 2HE TYR 32 4.560 13.689 -1.258 217 HH TYR 32 HH TYR 32 1.734 13.991 0.521 218 H ARG 33 H ARG 33 6.895 8.769 -2.613 219 HA ARG 33 HA ARG 33 5.659 10.548 -4.441 220 HB2 ARG 33 1HB ARG 33 8.222 8.954 -4.626 221 HB3 ARG 33 2HB ARG 33 7.731 10.161 -5.814 222 HG2 ARG 33 1HG ARG 33 7.691 11.895 -4.093 223 HG3 ARG 33 2HG ARG 33 8.069 10.703 -2.850 224 HD2 ARG 33 1HD ARG 33 10.107 11.891 -3.492 225 HD3 ARG 33 2HD ARG 33 10.211 10.209 -4.005 226 HE ARG 33 HE ARG 33 9.136 11.831 -6.089 227 HH11 ARG 33 1HH1 ARG 33 10.489 12.284 -7.855 228 HH12 ARG 33 2HH1 ARG 33 12.203 12.085 -7.700 229 HH21 ARG 33 2HH2 ARG 33 13.085 11.377 -5.743 230 HH22 ARG 33 1HH2 ARG 33 12.047 11.033 -4.400 Start of MODEL 10 1 HA ASN 1 HA ASN 1 -0.421 -0.402 12.368 2 HB2 ASN 1 1HB ASN 1 -1.597 -3.096 11.655 3 HB3 ASN 1 2HB ASN 1 0.105 -2.661 11.809 4 HD21 ASN 1 1HD2 ASN 1 -0.167 -2.501 15.474 5 HD22 ASN 1 2HD2 ASN 1 0.441 -1.536 14.216 6 H CYS 2 H CYS 2 0.360 -0.224 10.246 7 HA CYS 2 HA CYS 2 -1.729 0.063 8.189 8 HB2 CYS 2 2HB CYS 2 -0.053 1.564 7.094 9 HB3 CYS 2 1HB CYS 2 -0.645 2.150 8.645 10 H ALA 3 H ALA 3 1.204 0.333 6.761 11 HA ALA 3 HA ALA 3 1.670 -2.519 6.316 12 HB1 ALA 3 3HB ALA 3 0.321 -0.758 4.393 13 HB2 ALA 3 1HB ALA 3 0.398 -2.521 4.445 14 HB3 ALA 3 2HB ALA 3 1.727 -1.598 3.733 15 H LYS 4 H LYS 4 3.648 -2.957 5.271 16 HA LYS 4 HA LYS 4 5.536 -0.687 5.292 17 HB2 LYS 4 1HB LYS 4 6.073 -3.625 5.754 18 HB3 LYS 4 2HB LYS 4 7.280 -2.335 5.764 19 HG2 LYS 4 1HG LYS 4 5.877 -1.207 7.565 20 HG3 LYS 4 2HG LYS 4 4.968 -2.715 7.672 21 HD2 LYS 4 1HD LYS 4 7.039 -3.947 8.157 22 HD3 LYS 4 2HD LYS 4 7.958 -2.446 8.034 23 HE2 LYS 4 1HE LYS 4 7.555 -2.850 10.379 24 HE3 LYS 4 2HE LYS 4 6.522 -1.510 9.887 25 HZ1 LYS 4 3HZ LYS 4 5.371 -3.208 11.235 26 HZ2 LYS 4 1HZ LYS 4 5.643 -4.343 10.005 27 HZ3 LYS 4 2HZ LYS 4 4.667 -2.983 9.704 28 H GLU 5 H GLU 5 6.892 -0.429 3.551 29 HA GLU 5 HA GLU 5 6.153 -0.792 1.028 30 HB2 GLU 5 1HB GLU 5 8.225 0.379 1.760 31 HB3 GLU 5 2HB GLU 5 9.011 -1.190 1.948 32 HG2 GLU 5 1HG GLU 5 8.610 -1.677 -0.429 33 HG3 GLU 5 2HG GLU 5 7.822 -0.115 -0.620 34 H GLY 6 H GLY 6 5.508 -2.470 -0.131 35 HA2 GLY 6 1HA GLY 6 6.111 -4.538 -1.273 36 HA3 GLY 6 2HA GLY 6 6.882 -5.072 0.215 37 H GLU 7 H GLU 7 4.186 -3.564 1.245 38 HA GLU 7 HA GLU 7 2.730 -6.077 1.526 39 HB2 GLU 7 1HB GLU 7 2.861 -3.485 2.962 40 HB3 GLU 7 2HB GLU 7 1.305 -4.315 2.971 41 HG2 GLU 7 1HG GLU 7 2.831 -4.954 4.872 42 HG3 GLU 7 2HG GLU 7 2.291 -6.302 3.878 43 H VAL 8 H VAL 8 0.480 -6.227 1.058 44 HA VAL 8 HA VAL 8 -0.297 -4.822 -1.348 45 HB VAL 8 HB VAL 8 -0.989 -7.039 -1.414 46 HG11 VAL 8 1HG1 VAL 8 -1.629 -6.646 1.514 47 HG12 VAL 8 2HG1 VAL 8 -0.471 -7.764 0.792 48 HG13 VAL 8 3HG1 VAL 8 -2.203 -8.052 0.619 49 HG21 VAL 8 3HG2 VAL 8 -3.440 -5.869 -0.089 50 HG22 VAL 8 1HG2 VAL 8 -3.355 -6.992 -1.445 51 HG23 VAL 8 2HG2 VAL 8 -2.906 -5.304 -1.674 52 H CYS 9 H CYS 9 -1.983 -3.360 -1.598 53 HA CYS 9 HA CYS 9 -3.201 -2.354 0.923 54 HB2 CYS 9 2HB CYS 9 -2.922 -0.127 0.220 55 HB3 CYS 9 1HB CYS 9 -1.386 -0.888 -0.172 56 H GLY 10 H GLY 10 -5.210 -1.091 0.520 57 HA2 GLY 10 1HA GLY 10 -7.236 -0.701 -0.540 58 HA3 GLY 10 2HA GLY 10 -6.615 -1.533 -1.963 59 H TRP 11 H TRP 11 -5.838 -3.627 0.296 60 HA TRP 11 HA TRP 11 -8.466 -4.782 0.651 61 HB2 TRP 11 2HB TRP 11 -6.251 -6.405 -0.549 62 HB3 TRP 11 1HB TRP 11 -7.942 -6.837 -0.375 63 HD1 TRP 11 1HD TRP 11 -5.593 -5.400 -2.784 64 HE1 TRP 11 1HE TRP 11 -6.858 -4.379 -4.792 65 HE3 TRP 11 3HE TRP 11 -10.270 -5.302 -0.850 66 HZ2 TRP 11 2HZ TRP 11 -9.544 -3.614 -5.466 67 HZ3 TRP 11 3HZ TRP 11 -12.190 -4.418 -2.174 68 HH2 TRP 11 2HH TRP 11 -11.823 -3.572 -4.478 69 H GLY 12 H GLY 12 -5.484 -4.027 1.802 70 HA2 GLY 12 1HA GLY 12 -5.876 -5.683 4.182 71 HA3 GLY 12 2HA GLY 12 -4.345 -5.854 3.330 72 H SER 13 H SER 13 -4.328 -3.003 2.526 73 HA SER 13 HA SER 13 -4.209 -1.533 5.026 74 HB2 SER 13 1HB SER 13 -2.015 -2.911 4.664 75 HB3 SER 13 2HB SER 13 -1.660 -1.677 3.457 76 HG SER 13 HG SER 13 -2.332 -1.215 6.182 77 H LYS 14 H LYS 14 -2.813 0.638 4.366 78 HA LYS 14 HA LYS 14 -3.538 1.551 1.703 79 HB2 LYS 14 1HB LYS 14 -4.855 3.458 2.540 80 HB3 LYS 14 2HB LYS 14 -5.614 1.918 2.939 81 HG2 LYS 14 1HG LYS 14 -4.630 2.019 5.201 82 HG3 LYS 14 2HG LYS 14 -3.888 3.570 4.808 83 HD2 LYS 14 1HD LYS 14 -6.117 4.541 4.403 84 HD3 LYS 14 2HD LYS 14 -6.863 2.992 4.800 85 HE2 LYS 14 1HE LYS 14 -5.897 3.098 7.064 86 HE3 LYS 14 2HE LYS 14 -5.140 4.641 6.672 87 HZ1 LYS 14 3HZ LYS 14 -7.770 4.953 5.983 88 HZ2 LYS 14 1HZ LYS 14 -7.011 5.581 7.363 89 HZ3 LYS 14 2HZ LYS 14 -7.826 4.093 7.448 90 H CYS 15 H CYS 15 -1.034 1.175 2.960 91 HA CYS 15 HA CYS 15 0.964 2.231 3.315 92 HB2 CYS 15 2HB CYS 15 -0.547 4.232 1.670 93 HB3 CYS 15 1HB CYS 15 1.014 4.633 2.336 94 H CYS 16 H CYS 16 1.576 2.756 5.303 95 HA CYS 16 HA CYS 16 0.172 3.876 7.323 96 HB2 CYS 16 2HB CYS 16 2.896 3.331 6.834 97 HB3 CYS 16 1HB CYS 16 2.815 4.981 7.453 98 H HIS 17 H HIS 17 2.330 5.813 5.242 99 HA HIS 17 HA HIS 17 0.544 7.895 4.767 100 HB2 HIS 17 1HB HIS 17 1.549 7.927 7.464 101 HB3 HIS 17 2HB HIS 17 2.173 9.320 6.586 102 HD1 HIS 17 HD1 HIS 17 -0.565 8.557 8.623 103 HD2 HIS 17 HD2 HIS 17 -0.259 10.406 4.900 104 HE1 HIS 17 HE1 HIS 17 -2.693 9.892 8.308 105 H GLY 18 H GLY 18 3.722 6.723 5.209 106 HA2 GLY 18 1HA GLY 18 4.906 8.886 3.594 107 HA3 GLY 18 2HA GLY 18 5.802 7.658 4.484 108 H LEU 19 H LEU 19 3.267 6.177 2.961 109 HA LEU 19 HA LEU 19 4.910 5.482 0.617 110 HB2 LEU 19 1HB LEU 19 3.151 3.758 2.359 111 HB3 LEU 19 2HB LEU 19 3.762 3.241 0.798 112 HG LEU 19 HG LEU 19 5.613 4.250 2.962 113 HD11 LEU 19 1HD1 LEU 19 4.153 1.697 2.765 114 HD12 LEU 19 2HD1 LEU 19 4.955 2.426 4.154 115 HD13 LEU 19 3HD1 LEU 19 5.894 1.523 2.965 116 HD21 LEU 19 3HD2 LEU 19 7.116 2.572 1.659 117 HD22 LEU 19 1HD2 LEU 19 6.761 4.116 0.894 118 HD23 LEU 19 2HD2 LEU 19 5.893 2.661 0.395 119 H ASP 20 H ASP 20 3.780 4.983 -1.306 120 HA ASP 20 HA ASP 20 1.000 5.978 -1.426 121 HB2 ASP 20 1HB ASP 20 3.307 6.449 -3.321 122 HB3 ASP 20 2HB ASP 20 1.626 6.729 -3.775 123 H CYS 21 H CYS 21 -0.403 4.500 -2.197 124 HA CYS 21 HA CYS 21 0.646 2.362 -3.928 125 HB2 CYS 21 2HB CYS 21 -0.158 0.739 -2.591 126 HB3 CYS 21 1HB CYS 21 -0.198 1.979 -1.351 127 HA PRO 22 HA PRO 22 -2.728 3.795 -6.493 128 HB2 PRO 22 2HB PRO 22 -2.617 1.848 -8.398 129 HB3 PRO 22 1HB PRO 22 -1.409 3.144 -8.285 130 HG2 PRO 22 2HG PRO 22 -1.238 0.326 -7.331 131 HG3 PRO 22 1HG PRO 22 -0.015 1.320 -8.129 132 HD2 PRO 22 2HD PRO 22 -0.053 0.860 -5.456 133 HD3 PRO 22 1HD PRO 22 0.624 2.335 -6.189 134 H LEU 23 H LEU 23 -4.856 3.162 -7.154 135 HA LEU 23 HA LEU 23 -5.979 1.065 -5.429 136 HB2 LEU 23 1HB LEU 23 -6.958 3.599 -6.605 137 HB3 LEU 23 2HB LEU 23 -8.134 2.288 -6.515 138 HG LEU 23 HG LEU 23 -7.856 2.081 -4.138 139 HD11 LEU 23 1HD1 LEU 23 -6.206 3.958 -3.140 140 HD12 LEU 23 2HD1 LEU 23 -5.369 3.646 -4.658 141 HD13 LEU 23 3HD1 LEU 23 -5.648 2.328 -3.514 142 HD21 LEU 23 3HD2 LEU 23 -9.254 3.964 -4.925 143 HD22 LEU 23 1HD2 LEU 23 -7.838 5.017 -4.888 144 HD23 LEU 23 2HD2 LEU 23 -8.475 4.339 -3.388 145 H ALA 24 H ALA 24 -5.639 -0.812 -6.513 146 HA ALA 24 HA ALA 24 -7.067 -1.131 -9.070 147 HB1 ALA 24 3HB ALA 24 -4.360 -2.312 -8.380 148 HB2 ALA 24 1HB ALA 24 -4.655 -1.018 -9.543 149 HB3 ALA 24 2HB ALA 24 -5.281 -2.638 -9.852 150 H PHE 25 H PHE 25 -5.689 -3.953 -8.730 151 HA PHE 25 HA PHE 25 -7.851 -5.055 -7.039 152 HB2 PHE 25 2HB PHE 25 -6.248 -6.735 -8.915 153 HB3 PHE 25 1HB PHE 25 -7.933 -6.884 -8.438 154 HD1 PHE 25 1HD PHE 25 -5.594 -5.413 -10.779 155 HD2 PHE 25 2HD PHE 25 -9.648 -5.282 -9.368 156 HE1 PHE 25 1HE PHE 25 -6.256 -4.165 -12.808 157 HE2 PHE 25 2HE PHE 25 -10.314 -4.032 -11.405 158 HZ PHE 25 HZ PHE 25 -8.618 -3.474 -13.128 159 H ILE 26 H ILE 26 -4.413 -5.313 -7.847 160 HA ILE 26 HA ILE 26 -3.941 -6.440 -5.160 161 HB ILE 26 HB ILE 26 -1.967 -7.687 -6.399 162 HG12 ILE 26 1HG1 ILE 26 -2.643 -8.468 -8.630 163 HG13 ILE 26 2HG1 ILE 26 -4.079 -7.457 -8.566 164 HG21 ILE 26 1HG2 ILE 26 -3.708 -9.573 -6.851 165 HG22 ILE 26 2HG2 ILE 26 -4.861 -8.438 -6.148 166 HG23 ILE 26 3HG2 ILE 26 -3.480 -8.993 -5.202 167 HD11 ILE 26 3HD1 ILE 26 -2.173 -6.473 -9.890 168 HD12 ILE 26 1HD1 ILE 26 -1.256 -6.369 -8.390 169 HD13 ILE 26 2HD1 ILE 26 -2.745 -5.439 -8.583 170 HA PRO 27 HA PRO 27 -1.170 -2.820 -6.430 171 HB2 PRO 27 2HB PRO 27 -2.169 -0.939 -4.735 172 HB3 PRO 27 1HB PRO 27 -2.780 -1.190 -6.381 173 HG2 PRO 27 2HG PRO 27 -3.883 -2.144 -3.799 174 HG3 PRO 27 1HG PRO 27 -4.729 -1.473 -5.191 175 HD2 PRO 27 2HD PRO 27 -4.636 -4.151 -4.707 176 HD3 PRO 27 1HD PRO 27 -4.697 -3.469 -6.348 177 H TYR 28 H TYR 28 0.566 -2.026 -5.193 178 HA TYR 28 HA TYR 28 0.852 -3.155 -2.479 179 HB2 TYR 28 2HB TYR 28 2.723 -3.132 -4.814 180 HB3 TYR 28 1HB TYR 28 3.380 -3.099 -3.178 181 HD1 TYR 28 1HD TYR 28 0.745 -4.898 -5.159 182 HD2 TYR 28 2HD TYR 28 3.759 -5.132 -2.120 183 HE1 TYR 28 1HE TYR 28 0.326 -7.328 -4.929 184 HE2 TYR 28 2HE TYR 28 3.349 -7.559 -1.883 185 HH TYR 28 HH TYR 28 2.402 -9.419 -3.452 186 H CYS 29 H CYS 29 2.012 -1.946 -0.967 187 HA CYS 29 HA CYS 29 1.869 0.914 -1.372 188 HB2 CYS 29 2HB CYS 29 2.143 -0.934 0.904 189 HB3 CYS 29 1HB CYS 29 3.054 0.565 1.065 190 H GLU 30 H GLU 30 3.457 2.052 -2.225 191 HA GLU 30 HA GLU 30 6.239 1.338 -1.563 192 HB2 GLU 30 1HB GLU 30 6.928 1.642 -3.900 193 HB3 GLU 30 2HB GLU 30 5.761 0.325 -3.758 194 HG2 GLU 30 1HG GLU 30 3.952 2.012 -4.302 195 HG3 GLU 30 2HG GLU 30 5.236 3.151 -4.700 196 H LYS 31 H LYS 31 7.698 3.081 -1.663 197 HA LYS 31 HA LYS 31 6.639 5.594 -0.910 198 HB2 LYS 31 1HB LYS 31 8.865 6.302 -0.711 199 HB3 LYS 31 2HB LYS 31 8.971 4.564 -0.432 200 HG2 LYS 31 1HG LYS 31 9.370 4.386 -2.988 201 HG3 LYS 31 2HG LYS 31 9.708 6.114 -2.913 202 HD2 LYS 31 1HD LYS 31 11.105 4.031 -1.208 203 HD3 LYS 31 2HD LYS 31 11.761 4.695 -2.702 204 HE2 LYS 31 1HE LYS 31 11.566 6.992 -1.683 205 HE3 LYS 31 2HE LYS 31 11.121 6.216 -0.162 206 HZ1 LYS 31 3HZ LYS 31 13.199 5.131 -0.052 207 HZ2 LYS 31 1HZ LYS 31 13.533 6.754 -0.417 208 HZ3 LYS 31 2HZ LYS 31 13.608 5.576 -1.640 209 H TYR 32 H TYR 32 6.746 7.611 -2.004 210 HA TYR 32 HA TYR 32 5.892 7.508 -4.714 211 HB2 TYR 32 2HB TYR 32 5.218 9.261 -3.061 212 HB3 TYR 32 1HB TYR 32 6.850 9.920 -3.161 213 HD1 TYR 32 1HD TYR 32 3.863 9.048 -5.200 214 HD2 TYR 32 2HD TYR 32 7.466 11.374 -4.936 215 HE1 TYR 32 1HE TYR 32 3.216 10.286 -7.253 216 HE2 TYR 32 2HE TYR 32 6.819 12.610 -6.989 217 HH TYR 32 HH TYR 32 5.378 12.254 -8.971 218 H ARG 33 H ARG 33 7.002 7.685 -6.573 219 HA ARG 33 HA ARG 33 9.776 7.334 -6.697 220 HB2 ARG 33 1HB ARG 33 7.803 8.365 -8.739 221 HB3 ARG 33 2HB ARG 33 9.499 8.053 -9.111 222 HG2 ARG 33 1HG ARG 33 9.245 5.715 -8.413 223 HG3 ARG 33 2HG ARG 33 7.561 6.013 -7.982 224 HD2 ARG 33 1HD ARG 33 7.053 6.593 -10.316 225 HD3 ARG 33 2HD ARG 33 8.738 6.332 -10.758 226 HE ARG 33 HE ARG 33 7.769 3.992 -9.526 227 HH11 ARG 33 1HH1 ARG 33 7.148 2.239 -10.831 228 HH12 ARG 33 2HH1 ARG 33 6.755 2.503 -12.497 229 HH21 ARG 33 2HH2 ARG 33 6.860 4.587 -13.366 230 HH22 ARG 33 1HH2 ARG 33 7.335 5.920 -12.365 Start of MODEL 11 1 HA ASN 1 HA ASN 1 0.012 -2.396 12.507 2 HB2 ASN 1 1HB ASN 1 -0.134 0.251 13.719 3 HB3 ASN 1 2HB ASN 1 -1.520 -0.065 12.677 4 HD21 ASN 1 1HD2 ASN 1 -2.990 -1.885 15.306 5 HD22 ASN 1 2HD2 ASN 1 -3.151 -0.654 14.150 6 H CYS 2 H CYS 2 1.504 -0.001 10.632 7 HA CYS 2 HA CYS 2 -0.562 -0.066 8.556 8 HB2 CYS 2 2HB CYS 2 1.095 1.642 7.526 9 HB3 CYS 2 1HB CYS 2 0.063 2.138 8.868 10 H ALA 3 H ALA 3 0.297 -0.175 6.288 11 HA ALA 3 HA ALA 3 1.676 -2.641 5.928 12 HB1 ALA 3 3HB ALA 3 0.301 -2.307 4.127 13 HB2 ALA 3 1HB ALA 3 1.778 -1.596 3.463 14 HB3 ALA 3 2HB ALA 3 0.526 -0.555 4.148 15 H LYS 4 H LYS 4 3.733 -3.056 5.238 16 HA LYS 4 HA LYS 4 5.620 -0.802 5.395 17 HB2 LYS 4 1HB LYS 4 5.941 -3.761 5.841 18 HB3 LYS 4 2HB LYS 4 7.317 -2.666 5.679 19 HG2 LYS 4 1HG LYS 4 5.128 -1.912 7.564 20 HG3 LYS 4 2HG LYS 4 6.237 -3.177 8.049 21 HD2 LYS 4 1HD LYS 4 7.365 -0.641 6.929 22 HD3 LYS 4 2HD LYS 4 6.787 -0.650 8.594 23 HE2 LYS 4 1HE LYS 4 8.261 -2.567 9.096 24 HE3 LYS 4 2HE LYS 4 8.849 -2.551 7.432 25 HZ1 LYS 4 3HZ LYS 4 10.339 -1.361 8.929 26 HZ2 LYS 4 1HZ LYS 4 9.084 -0.304 9.361 27 HZ3 LYS 4 2HZ LYS 4 9.673 -0.314 7.769 28 H GLU 5 H GLU 5 7.021 -0.407 3.718 29 HA GLU 5 HA GLU 5 6.408 -0.669 1.139 30 HB2 GLU 5 1HB GLU 5 8.406 0.539 2.023 31 HB3 GLU 5 2HB GLU 5 9.227 -1.015 2.185 32 HG2 GLU 5 1HG GLU 5 8.995 -1.415 -0.212 33 HG3 GLU 5 2HG GLU 5 8.118 0.098 -0.399 34 H GLY 6 H GLY 6 5.884 -2.311 -0.121 35 HA2 GLY 6 1HA GLY 6 6.533 -4.294 -1.330 36 HA3 GLY 6 2HA GLY 6 7.370 -4.852 0.114 37 H GLU 7 H GLU 7 4.560 -3.483 1.153 38 HA GLU 7 HA GLU 7 3.241 -6.105 1.354 39 HB2 GLU 7 1HB GLU 7 2.933 -3.549 2.926 40 HB3 GLU 7 2HB GLU 7 1.848 -4.928 3.109 41 HG2 GLU 7 1HG GLU 7 4.855 -5.139 3.388 42 HG3 GLU 7 2HG GLU 7 3.779 -4.861 4.754 43 H VAL 8 H VAL 8 0.979 -6.303 0.982 44 HA VAL 8 HA VAL 8 0.079 -4.832 -1.316 45 HB VAL 8 HB VAL 8 -0.538 -7.103 -1.308 46 HG11 VAL 8 1HG1 VAL 8 -2.120 -7.705 0.827 47 HG12 VAL 8 2HG1 VAL 8 -0.999 -6.566 1.573 48 HG13 VAL 8 3HG1 VAL 8 -0.386 -8.020 0.783 49 HG21 VAL 8 3HG2 VAL 8 -2.887 -6.999 -1.536 50 HG22 VAL 8 1HG2 VAL 8 -2.382 -5.327 -1.781 51 HG23 VAL 8 2HG2 VAL 8 -3.054 -5.828 -0.228 52 H CYS 9 H CYS 9 -1.616 -3.392 -1.476 53 HA CYS 9 HA CYS 9 -3.051 -2.588 0.948 54 HB2 CYS 9 2HB CYS 9 -1.346 -1.034 1.223 55 HB3 CYS 9 1HB CYS 9 -1.058 -0.921 -0.490 56 H GLY 10 H GLY 10 -4.810 -1.043 0.452 57 HA2 GLY 10 1HA GLY 10 -6.270 0.019 -1.117 58 HA3 GLY 10 2HA GLY 10 -5.682 -1.080 -2.362 59 H TRP 11 H TRP 11 -5.844 -3.211 -0.120 60 HA TRP 11 HA TRP 11 -8.734 -3.514 0.005 61 HB2 TRP 11 2HB TRP 11 -6.983 -5.730 -0.981 62 HB3 TRP 11 1HB TRP 11 -8.733 -5.674 -0.941 63 HD1 TRP 11 1HD TRP 11 -5.912 -5.032 -3.158 64 HE1 TRP 11 1HE TRP 11 -6.672 -3.764 -5.267 65 HE3 TRP 11 3HE TRP 11 -10.484 -3.538 -1.613 66 HZ2 TRP 11 2HZ TRP 11 -8.962 -2.280 -6.173 67 HZ3 TRP 11 3HZ TRP 11 -11.957 -2.187 -3.093 68 HH2 TRP 11 2HH TRP 11 -11.198 -1.556 -5.371 69 H GLY 12 H GLY 12 -5.740 -3.683 1.408 70 HA2 GLY 12 1HA GLY 12 -6.804 -5.128 3.738 71 HA3 GLY 12 2HA GLY 12 -5.263 -5.637 3.057 72 H SER 13 H SER 13 -4.491 -2.854 2.331 73 HA SER 13 HA SER 13 -4.223 -1.631 4.992 74 HB2 SER 13 1HB SER 13 -2.223 -3.040 4.644 75 HB3 SER 13 2HB SER 13 -1.900 -2.189 3.140 76 HG SER 13 HG SER 13 -2.132 -0.258 4.706 77 H LYS 14 H LYS 14 -3.250 0.607 4.785 78 HA LYS 14 HA LYS 14 -3.930 1.844 2.207 79 HB2 LYS 14 1HB LYS 14 -4.797 2.732 4.954 80 HB3 LYS 14 2HB LYS 14 -4.909 3.739 3.514 81 HG2 LYS 14 1HG LYS 14 -6.314 2.029 2.419 82 HG3 LYS 14 2HG LYS 14 -6.207 1.024 3.865 83 HD2 LYS 14 1HD LYS 14 -7.289 2.800 5.189 84 HD3 LYS 14 2HD LYS 14 -7.392 3.813 3.747 85 HE2 LYS 14 1HE LYS 14 -8.800 2.117 2.645 86 HE3 LYS 14 2HE LYS 14 -8.694 1.094 4.077 87 HZ1 LYS 14 3HZ LYS 14 -9.581 3.168 5.283 88 HZ2 LYS 14 1HZ LYS 14 -10.666 2.215 4.394 89 HZ3 LYS 14 2HZ LYS 14 -10.082 3.669 3.739 90 H CYS 15 H CYS 15 -1.334 1.121 3.300 91 HA CYS 15 HA CYS 15 0.766 2.013 3.595 92 HB2 CYS 15 2HB CYS 15 -0.684 4.197 2.136 93 HB3 CYS 15 1HB CYS 15 0.956 4.430 2.682 94 H CYS 16 H CYS 16 1.932 2.970 5.163 95 HA CYS 16 HA CYS 16 0.639 3.898 7.475 96 HB2 CYS 16 2HB CYS 16 3.112 2.970 6.967 97 HB3 CYS 16 1HB CYS 16 3.447 4.699 7.050 98 H HIS 17 H HIS 17 2.677 5.721 5.198 99 HA HIS 17 HA HIS 17 0.962 7.927 5.035 100 HB2 HIS 17 1HB HIS 17 2.130 7.874 7.559 101 HB3 HIS 17 2HB HIS 17 3.155 8.975 6.651 102 HD1 HIS 17 HD1 HIS 17 -0.518 8.444 7.478 103 HD2 HIS 17 HD2 HIS 17 2.047 11.483 6.231 104 HE1 HIS 17 HE1 HIS 17 -1.875 10.581 7.505 105 H GLY 18 H GLY 18 4.131 6.606 4.989 106 HA2 GLY 18 1HA GLY 18 5.071 8.650 3.079 107 HA3 GLY 18 2HA GLY 18 6.087 7.475 3.908 108 H LEU 19 H LEU 19 3.364 5.920 2.874 109 HA LEU 19 HA LEU 19 4.647 5.030 0.365 110 HB2 LEU 19 1HB LEU 19 3.000 3.464 2.353 111 HB3 LEU 19 2HB LEU 19 3.592 2.837 0.826 112 HG LEU 19 HG LEU 19 5.367 3.959 3.014 113 HD11 LEU 19 1HD1 LEU 19 5.114 1.052 2.270 114 HD12 LEU 19 2HD1 LEU 19 4.066 1.766 3.499 115 HD13 LEU 19 3HD1 LEU 19 5.815 1.759 3.724 116 HD21 LEU 19 3HD2 LEU 19 6.709 4.063 1.136 117 HD22 LEU 19 1HD2 LEU 19 5.829 2.781 0.302 118 HD23 LEU 19 2HD2 LEU 19 6.971 2.377 1.578 119 H ASP 20 H ASP 20 3.237 4.416 -1.334 120 HA ASP 20 HA ASP 20 0.446 5.313 -1.093 121 HB2 ASP 20 1HB ASP 20 2.044 6.974 -2.268 122 HB3 ASP 20 2HB ASP 20 2.072 5.795 -3.577 123 H CYS 21 H CYS 21 -1.005 4.025 -2.064 124 HA CYS 21 HA CYS 21 -0.016 1.895 -3.828 125 HB2 CYS 21 2HB CYS 21 -1.906 0.529 -2.587 126 HB3 CYS 21 1HB CYS 21 -0.252 0.596 -1.991 127 HA PRO 22 HA PRO 22 -3.446 3.838 -6.144 128 HB2 PRO 22 2HB PRO 22 -2.645 1.801 -8.142 129 HB3 PRO 22 1HB PRO 22 -2.800 3.558 -8.320 130 HG2 PRO 22 2HG PRO 22 -0.417 2.356 -8.217 131 HG3 PRO 22 1HG PRO 22 -0.688 3.960 -7.534 132 HD2 PRO 22 2HD PRO 22 -0.367 1.342 -6.139 133 HD3 PRO 22 1HD PRO 22 0.138 2.975 -5.667 134 H LEU 23 H LEU 23 -5.475 3.057 -7.066 135 HA LEU 23 HA LEU 23 -6.427 0.721 -5.638 136 HB2 LEU 23 1HB LEU 23 -7.751 2.865 -7.295 137 HB3 LEU 23 2HB LEU 23 -8.638 1.449 -6.740 138 HG LEU 23 HG LEU 23 -8.887 3.385 -5.192 139 HD11 LEU 23 1HD1 LEU 23 -8.502 0.780 -4.495 140 HD12 LEU 23 2HD1 LEU 23 -8.908 2.051 -3.344 141 HD13 LEU 23 3HD1 LEU 23 -7.225 1.557 -3.557 142 HD21 LEU 23 3HD2 LEU 23 -6.458 4.131 -5.744 143 HD22 LEU 23 1HD2 LEU 23 -5.991 3.017 -4.460 144 HD23 LEU 23 2HD2 LEU 23 -7.058 4.375 -4.103 145 H ALA 24 H ALA 24 -5.814 -1.119 -6.538 146 HA ALA 24 HA ALA 24 -6.722 -1.670 -9.266 147 HB1 ALA 24 3HB ALA 24 -4.022 -1.215 -8.666 148 HB2 ALA 24 1HB ALA 24 -4.681 -1.931 -10.138 149 HB3 ALA 24 2HB ALA 24 -4.182 -2.969 -8.800 150 H PHE 25 H PHE 25 -5.668 -4.214 -9.513 151 HA PHE 25 HA PHE 25 -7.515 -5.769 -8.034 152 HB2 PHE 25 2HB PHE 25 -4.999 -6.771 -9.365 153 HB3 PHE 25 1HB PHE 25 -6.508 -7.638 -9.127 154 HD1 PHE 25 1HD PHE 25 -4.749 -5.080 -11.001 155 HD2 PHE 25 2HD PHE 25 -8.479 -7.147 -10.557 156 HE1 PHE 25 1HE PHE 25 -5.480 -4.200 -13.176 157 HE2 PHE 25 2HE PHE 25 -9.226 -6.262 -12.755 158 HZ PHE 25 HZ PHE 25 -7.723 -4.785 -14.070 159 H ILE 26 H ILE 26 -3.964 -5.486 -7.846 160 HA ILE 26 HA ILE 26 -4.081 -6.071 -4.966 161 HB ILE 26 HB ILE 26 -1.918 -7.555 -5.483 162 HG12 ILE 26 1HG1 ILE 26 -2.335 -8.981 -7.456 163 HG13 ILE 26 2HG1 ILE 26 -3.714 -7.987 -7.891 164 HG21 ILE 26 1HG2 ILE 26 -3.459 -9.540 -5.389 165 HG22 ILE 26 2HG2 ILE 26 -4.814 -8.429 -5.587 166 HG23 ILE 26 3HG2 ILE 26 -3.783 -8.317 -4.160 167 HD11 ILE 26 3HD1 ILE 26 -2.244 -6.036 -8.171 168 HD12 ILE 26 1HD1 ILE 26 -1.690 -7.366 -9.185 169 HD13 ILE 26 2HD1 ILE 26 -0.855 -7.001 -7.677 170 HA PRO 27 HA PRO 27 -1.181 -2.652 -6.202 171 HB2 PRO 27 2HB PRO 27 -2.497 -1.260 -3.970 172 HB3 PRO 27 1HB PRO 27 -2.244 -0.740 -5.646 173 HG2 PRO 27 2HG PRO 27 -4.668 -1.405 -4.732 174 HG3 PRO 27 1HG PRO 27 -4.158 -1.759 -6.388 175 HD2 PRO 27 2HD PRO 27 -4.289 -3.619 -4.038 176 HD3 PRO 27 1HD PRO 27 -4.780 -3.896 -5.727 177 H TYR 28 H TYR 28 0.512 -1.627 -4.914 178 HA TYR 28 HA TYR 28 1.030 -2.984 -2.341 179 HB2 TYR 28 2HB TYR 28 2.771 -2.803 -4.756 180 HB3 TYR 28 1HB TYR 28 3.528 -2.758 -3.166 181 HD1 TYR 28 1HD TYR 28 0.948 -4.708 -5.092 182 HD2 TYR 28 2HD TYR 28 4.018 -4.770 -2.090 183 HE1 TYR 28 1HE TYR 28 0.707 -7.166 -4.892 184 HE2 TYR 28 2HE TYR 28 3.779 -7.225 -1.890 185 HH TYR 28 HH TYR 28 2.332 -8.978 -2.375 186 H CYS 29 H CYS 29 2.008 -1.801 -0.759 187 HA CYS 29 HA CYS 29 1.805 1.058 -1.013 188 HB2 CYS 29 2HB CYS 29 2.268 -0.891 1.163 189 HB3 CYS 29 1HB CYS 29 2.986 0.693 1.391 190 H GLU 30 H GLU 30 3.322 1.603 -2.594 191 HA GLU 30 HA GLU 30 6.155 1.188 -1.828 192 HB2 GLU 30 1HB GLU 30 4.966 1.872 -4.525 193 HB3 GLU 30 2HB GLU 30 6.685 1.650 -4.186 194 HG2 GLU 30 1HG GLU 30 4.600 -0.454 -3.605 195 HG3 GLU 30 2HG GLU 30 5.507 -0.396 -5.119 196 H LYS 31 H LYS 31 7.610 2.917 -1.901 197 HA LYS 31 HA LYS 31 6.831 5.325 -0.816 198 HB2 LYS 31 1HB LYS 31 9.007 6.209 -1.566 199 HB3 LYS 31 2HB LYS 31 9.172 4.580 -0.911 200 HG2 LYS 31 1HG LYS 31 9.108 3.658 -3.210 201 HG3 LYS 31 2HG LYS 31 8.986 5.295 -3.855 202 HD2 LYS 31 1HD LYS 31 11.154 5.868 -2.837 203 HD3 LYS 31 2HD LYS 31 11.282 4.233 -2.184 204 HE2 LYS 31 1HE LYS 31 11.228 3.312 -4.471 205 HE3 LYS 31 2HE LYS 31 11.097 4.944 -5.128 206 HZ1 LYS 31 3HZ LYS 31 13.221 5.453 -3.985 207 HZ2 LYS 31 1HZ LYS 31 13.367 4.290 -5.212 208 HZ3 LYS 31 2HZ LYS 31 13.360 3.808 -3.583 209 H TYR 32 H TYR 32 6.748 7.474 -1.699 210 HA TYR 32 HA TYR 32 6.284 7.811 -4.540 211 HB2 TYR 32 2HB TYR 32 4.012 8.270 -4.488 212 HB3 TYR 32 1HB TYR 32 4.125 6.924 -3.356 213 HD1 TYR 32 1HD TYR 32 2.242 9.559 -3.678 214 HD2 TYR 32 2HD TYR 32 5.296 8.281 -0.946 215 HE1 TYR 32 1HE TYR 32 1.295 11.035 -1.928 216 HE2 TYR 32 2HE TYR 32 4.344 9.744 0.804 217 HH TYR 32 HH TYR 32 1.422 11.686 0.200 218 H ARG 33 H ARG 33 5.818 10.101 -5.074 219 HA ARG 33 HA ARG 33 7.579 11.867 -3.779 220 HB2 ARG 33 1HB ARG 33 5.215 12.479 -5.570 221 HB3 ARG 33 2HB ARG 33 6.492 13.621 -5.144 222 HG2 ARG 33 1HG ARG 33 8.171 12.204 -6.196 223 HG3 ARG 33 2HG ARG 33 6.961 10.965 -6.528 224 HD2 ARG 33 1HD ARG 33 7.295 12.241 -8.554 225 HD3 ARG 33 2HD ARG 33 5.709 12.649 -7.906 226 HE ARG 33 HE ARG 33 7.638 14.468 -6.904 227 HH11 ARG 33 1HH1 ARG 33 7.723 16.546 -7.820 228 HH12 ARG 33 2HH1 ARG 33 7.020 16.830 -9.377 229 HH21 ARG 33 2HH2 ARG 33 6.027 15.136 -10.495 230 HH22 ARG 33 1HH2 ARG 33 5.966 13.554 -9.794 Start of MODEL 12 1 HA ASN 1 HA ASN 1 -0.932 -0.946 12.129 2 HB2 ASN 1 1HB ASN 1 -1.123 -3.816 12.178 3 HB3 ASN 1 2HB ASN 1 -0.090 -3.328 10.835 4 HD21 ASN 1 1HD2 ASN 1 2.567 -2.950 13.113 5 HD22 ASN 1 2HD2 ASN 1 2.009 -3.632 11.661 6 H CYS 2 H CYS 2 0.225 -0.294 10.264 7 HA CYS 2 HA CYS 2 -1.400 -0.252 7.834 8 HB2 CYS 2 2HB CYS 2 0.414 1.423 7.154 9 HB3 CYS 2 1HB CYS 2 -0.724 1.907 8.405 10 H ALA 3 H ALA 3 0.324 0.056 5.853 11 HA ALA 3 HA ALA 3 1.686 -2.549 5.756 12 HB1 ALA 3 3HB ALA 3 0.367 -2.544 3.876 13 HB2 ALA 3 1HB ALA 3 1.794 -1.731 3.221 14 HB3 ALA 3 2HB ALA 3 0.395 -0.784 3.738 15 H LYS 4 H LYS 4 3.711 -2.694 4.686 16 HA LYS 4 HA LYS 4 5.287 -0.211 4.686 17 HB2 LYS 4 1HB LYS 4 7.174 -1.371 5.657 18 HB3 LYS 4 2HB LYS 4 5.787 -1.574 6.723 19 HG2 LYS 4 1HG LYS 4 6.202 -3.795 6.604 20 HG3 LYS 4 2HG LYS 4 5.500 -3.691 4.994 21 HD2 LYS 4 1HD LYS 4 7.533 -4.696 4.500 22 HD3 LYS 4 2HD LYS 4 7.964 -3.001 4.296 23 HE2 LYS 4 1HE LYS 4 8.478 -4.755 6.714 24 HE3 LYS 4 2HE LYS 4 9.676 -4.007 5.659 25 HZ1 LYS 4 3HZ LYS 4 9.358 -2.797 7.754 26 HZ2 LYS 4 1HZ LYS 4 7.737 -2.517 7.341 27 HZ3 LYS 4 2HZ LYS 4 8.979 -1.847 6.398 28 H GLU 5 H GLU 5 6.899 -0.142 3.127 29 HA GLU 5 HA GLU 5 6.431 -0.954 0.628 30 HB2 GLU 5 1HB GLU 5 8.325 0.500 1.395 31 HB3 GLU 5 2HB GLU 5 9.199 -0.959 1.857 32 HG2 GLU 5 1HG GLU 5 9.090 -1.771 -0.448 33 HG3 GLU 5 2HG GLU 5 8.187 -0.334 -0.923 34 H GLY 6 H GLY 6 5.858 -2.894 -0.085 35 HA2 GLY 6 1HA GLY 6 6.788 -5.045 -0.866 36 HA3 GLY 6 2HA GLY 6 7.453 -5.251 0.750 37 H GLU 7 H GLU 7 4.486 -3.797 1.078 38 HA GLU 7 HA GLU 7 3.111 -6.396 1.413 39 HB2 GLU 7 1HB GLU 7 2.838 -3.880 3.066 40 HB3 GLU 7 2HB GLU 7 1.829 -5.317 3.241 41 HG2 GLU 7 1HG GLU 7 4.849 -5.352 3.461 42 HG3 GLU 7 2HG GLU 7 3.765 -5.221 4.843 43 H VAL 8 H VAL 8 0.976 -6.550 0.813 44 HA VAL 8 HA VAL 8 0.156 -4.855 -1.335 45 HB VAL 8 HB VAL 8 -0.444 -7.158 -1.470 46 HG11 VAL 8 1HG1 VAL 8 -1.634 -6.701 1.275 47 HG12 VAL 8 2HG1 VAL 8 -0.372 -7.845 0.820 48 HG13 VAL 8 3HG1 VAL 8 -2.033 -8.110 0.292 49 HG21 VAL 8 3HG2 VAL 8 -2.657 -6.912 -2.100 50 HG22 VAL 8 1HG2 VAL 8 -2.210 -5.214 -1.940 51 HG23 VAL 8 2HG2 VAL 8 -3.082 -6.023 -0.639 52 H CYS 9 H CYS 9 -1.472 -3.347 -1.438 53 HA CYS 9 HA CYS 9 -3.030 -2.788 0.972 54 HB2 CYS 9 2HB CYS 9 -2.442 -0.321 0.736 55 HB3 CYS 9 1HB CYS 9 -1.192 -1.357 1.416 56 H GLY 10 H GLY 10 -4.623 -0.995 0.564 57 HA2 GLY 10 1HA GLY 10 -5.992 0.228 -0.982 58 HA3 GLY 10 2HA GLY 10 -5.472 -0.867 -2.257 59 H TRP 11 H TRP 11 -5.834 -3.055 -0.076 60 HA TRP 11 HA TRP 11 -8.751 -3.183 -0.144 61 HB2 TRP 11 2HB TRP 11 -6.981 -5.495 -0.863 62 HB3 TRP 11 1HB TRP 11 -8.735 -5.431 -0.941 63 HD1 TRP 11 1HD TRP 11 -5.799 -4.953 -3.018 64 HE1 TRP 11 1HE TRP 11 -6.386 -3.705 -5.203 65 HE3 TRP 11 3HE TRP 11 -10.380 -3.228 -1.771 66 HZ2 TRP 11 2HZ TRP 11 -8.557 -2.153 -6.263 67 HZ3 TRP 11 3HZ TRP 11 -11.715 -1.860 -3.361 68 HH2 TRP 11 2HH TRP 11 -10.803 -1.318 -5.604 69 H GLY 12 H GLY 12 -5.939 -3.411 1.602 70 HA2 GLY 12 1HA GLY 12 -7.377 -4.508 3.904 71 HA3 GLY 12 2HA GLY 12 -5.917 -5.358 3.403 72 H SER 13 H SER 13 -4.743 -2.759 2.484 73 HA SER 13 HA SER 13 -4.202 -1.487 5.087 74 HB2 SER 13 1HB SER 13 -2.189 -2.544 3.119 75 HB3 SER 13 2HB SER 13 -1.787 -1.339 4.334 76 HG SER 13 HG SER 13 -2.721 -2.890 5.867 77 H LYS 14 H LYS 14 -3.206 0.651 4.897 78 HA LYS 14 HA LYS 14 -3.714 1.967 2.312 79 HB2 LYS 14 1HB LYS 14 -4.609 3.926 3.659 80 HB3 LYS 14 2HB LYS 14 -5.658 2.510 3.590 81 HG2 LYS 14 1HG LYS 14 -4.771 1.765 5.788 82 HG3 LYS 14 2HG LYS 14 -3.771 3.217 5.859 83 HD2 LYS 14 1HD LYS 14 -5.607 3.967 7.044 84 HD3 LYS 14 2HD LYS 14 -6.114 4.411 5.415 85 HE2 LYS 14 1HE LYS 14 -7.958 3.255 6.467 86 HE3 LYS 14 2HE LYS 14 -7.271 2.176 5.252 87 HZ1 LYS 14 3HZ LYS 14 -7.652 1.591 7.887 88 HZ2 LYS 14 1HZ LYS 14 -5.990 1.914 7.792 89 HZ3 LYS 14 2HZ LYS 14 -6.679 0.720 6.801 90 H CYS 15 H CYS 15 -1.212 1.088 3.424 91 HA CYS 15 HA CYS 15 0.914 1.859 3.830 92 HB2 CYS 15 2HB CYS 15 -0.403 4.182 2.460 93 HB3 CYS 15 1HB CYS 15 1.256 4.276 3.011 94 H CYS 16 H CYS 16 2.119 2.738 5.424 95 HA CYS 16 HA CYS 16 0.870 3.608 7.789 96 HB2 CYS 16 2HB CYS 16 3.740 3.767 6.885 97 HB3 CYS 16 1HB CYS 16 3.203 4.170 8.515 98 H HIS 17 H HIS 17 2.570 5.425 5.275 99 HA HIS 17 HA HIS 17 1.067 7.704 5.318 100 HB2 HIS 17 1HB HIS 17 2.688 9.190 6.758 101 HB3 HIS 17 2HB HIS 17 1.381 8.315 7.540 102 HD1 HIS 17 HD1 HIS 17 5.043 7.718 6.651 103 HD2 HIS 17 HD2 HIS 17 2.279 6.699 9.601 104 HE1 HIS 17 HE1 HIS 17 6.310 6.378 8.387 105 H GLY 18 H GLY 18 4.246 6.402 5.339 106 HA2 GLY 18 1HA GLY 18 5.283 8.466 3.528 107 HA3 GLY 18 2HA GLY 18 6.218 7.169 4.265 108 H LEU 19 H LEU 19 3.454 5.803 3.148 109 HA LEU 19 HA LEU 19 4.611 5.171 0.504 110 HB2 LEU 19 1HB LEU 19 3.286 3.326 2.494 111 HB3 LEU 19 2HB LEU 19 3.656 2.874 0.836 112 HG LEU 19 HG LEU 19 5.745 3.911 2.772 113 HD11 LEU 19 1HD1 LEU 19 6.362 1.658 3.255 114 HD12 LEU 19 2HD1 LEU 19 5.293 1.023 2.006 115 HD13 LEU 19 3HD1 LEU 19 4.612 1.722 3.479 116 HD21 LEU 19 3HD2 LEU 19 5.747 2.760 -0.009 117 HD22 LEU 19 1HD2 LEU 19 7.130 2.466 1.041 118 HD23 LEU 19 2HD2 LEU 19 6.669 4.116 0.642 119 H ASP 20 H ASP 20 3.043 4.398 -1.072 120 HA ASP 20 HA ASP 20 0.232 4.866 -0.578 121 HB2 ASP 20 1HB ASP 20 1.334 7.143 -1.125 122 HB3 ASP 20 2HB ASP 20 1.510 6.504 -2.758 123 H CYS 21 H CYS 21 -1.044 3.773 -2.067 124 HA CYS 21 HA CYS 21 0.294 2.654 -4.394 125 HB2 CYS 21 2HB CYS 21 -0.892 0.453 -3.908 126 HB3 CYS 21 1HB CYS 21 0.520 0.845 -2.950 127 HA PRO 22 HA PRO 22 -3.479 3.735 -6.380 128 HB2 PRO 22 2HB PRO 22 -3.240 2.271 -8.640 129 HB3 PRO 22 1HB PRO 22 -2.167 3.644 -8.294 130 HG2 PRO 22 2HG PRO 22 -1.659 0.725 -7.921 131 HG3 PRO 22 1HG PRO 22 -0.599 1.968 -8.593 132 HD2 PRO 22 2HD PRO 22 -0.400 1.044 -6.049 133 HD3 PRO 22 1HD PRO 22 0.075 2.678 -6.530 134 H LEU 23 H LEU 23 -5.506 2.820 -7.256 135 HA LEU 23 HA LEU 23 -6.254 0.459 -5.723 136 HB2 LEU 23 1HB LEU 23 -7.798 2.543 -7.264 137 HB3 LEU 23 2HB LEU 23 -8.571 1.060 -6.708 138 HG LEU 23 HG LEU 23 -8.832 2.954 -5.089 139 HD11 LEU 23 1HD1 LEU 23 -8.712 1.539 -3.303 140 HD12 LEU 23 2HD1 LEU 23 -7.016 1.153 -3.604 141 HD13 LEU 23 3HD1 LEU 23 -8.284 0.334 -4.518 142 HD21 LEU 23 3HD2 LEU 23 -6.970 3.948 -4.031 143 HD22 LEU 23 1HD2 LEU 23 -6.476 3.832 -5.720 144 HD23 LEU 23 2HD2 LEU 23 -5.881 2.661 -4.545 145 H ALA 24 H ALA 24 -5.610 -1.338 -6.657 146 HA ALA 24 HA ALA 24 -6.561 -1.921 -9.369 147 HB1 ALA 24 3HB ALA 24 -4.239 -1.244 -9.675 148 HB2 ALA 24 1HB ALA 24 -4.388 -2.983 -9.925 149 HB3 ALA 24 2HB ALA 24 -3.720 -2.363 -8.416 150 H PHE 25 H PHE 25 -5.360 -4.415 -9.603 151 HA PHE 25 HA PHE 25 -7.116 -6.046 -8.085 152 HB2 PHE 25 2HB PHE 25 -4.651 -7.187 -9.316 153 HB3 PHE 25 1HB PHE 25 -6.306 -7.778 -9.362 154 HD1 PHE 25 1HD PHE 25 -3.795 -6.212 -11.247 155 HD2 PHE 25 2HD PHE 25 -8.034 -6.121 -10.563 156 HE1 PHE 25 1HE PHE 25 -4.121 -5.113 -13.436 157 HE2 PHE 25 2HE PHE 25 -8.362 -5.020 -12.762 158 HZ PHE 25 HZ PHE 25 -6.405 -4.516 -14.199 159 H ILE 26 H ILE 26 -3.569 -5.681 -8.026 160 HA ILE 26 HA ILE 26 -3.608 -6.317 -5.156 161 HB ILE 26 HB ILE 26 -3.103 -8.394 -6.452 162 HG12 ILE 26 1HG1 ILE 26 -0.736 -8.639 -5.243 163 HG13 ILE 26 2HG1 ILE 26 -1.268 -7.148 -4.469 164 HG21 ILE 26 1HG2 ILE 26 -1.516 -8.480 -8.051 165 HG22 ILE 26 2HG2 ILE 26 -0.369 -7.563 -7.073 166 HG23 ILE 26 3HG2 ILE 26 -1.585 -6.716 -8.028 167 HD11 ILE 26 3HD1 ILE 26 -2.711 -9.802 -4.499 168 HD12 ILE 26 1HD1 ILE 26 -3.446 -8.301 -3.934 169 HD13 ILE 26 2HD1 ILE 26 -2.039 -8.963 -3.102 170 HA PRO 27 HA PRO 27 -0.962 -2.632 -6.228 171 HB2 PRO 27 2HB PRO 27 -2.273 -1.484 -3.871 172 HB3 PRO 27 1HB PRO 27 -2.152 -0.852 -5.522 173 HG2 PRO 27 2HG PRO 27 -4.463 -1.756 -4.491 174 HG3 PRO 27 1HG PRO 27 -4.056 -1.894 -6.206 175 HD2 PRO 27 2HD PRO 27 -3.949 -4.005 -4.081 176 HD3 PRO 27 1HD PRO 27 -4.456 -4.137 -5.782 177 H TYR 28 H TYR 28 0.772 -1.709 -4.953 178 HA TYR 28 HA TYR 28 1.306 -3.119 -2.410 179 HB2 TYR 28 2HB TYR 28 2.913 -3.117 -4.884 180 HB3 TYR 28 1HB TYR 28 3.813 -2.836 -3.393 181 HD1 TYR 28 1HD TYR 28 1.111 -5.081 -4.758 182 HD2 TYR 28 2HD TYR 28 4.486 -4.673 -2.120 183 HE1 TYR 28 1HE TYR 28 0.978 -7.487 -4.195 184 HE2 TYR 28 2HE TYR 28 4.338 -7.078 -1.566 185 HH TYR 28 HH TYR 28 2.059 -9.215 -3.219 186 H CYS 29 H CYS 29 1.708 -1.786 -0.803 187 HA CYS 29 HA CYS 29 1.665 0.976 -0.960 188 HB2 CYS 29 2HB CYS 29 2.330 -1.024 1.069 189 HB3 CYS 29 1HB CYS 29 3.168 0.502 1.292 190 H GLU 30 H GLU 30 2.978 1.796 -2.557 191 HA GLU 30 HA GLU 30 5.899 1.535 -2.102 192 HB2 GLU 30 1HB GLU 30 6.156 2.067 -4.489 193 HB3 GLU 30 2HB GLU 30 5.149 0.634 -4.267 194 HG2 GLU 30 1HG GLU 30 3.132 2.138 -4.374 195 HG3 GLU 30 2HG GLU 30 4.210 3.453 -4.836 196 H LYS 31 H LYS 31 7.178 3.403 -2.275 197 HA LYS 31 HA LYS 31 6.307 5.694 -1.039 198 HB2 LYS 31 1HB LYS 31 8.292 6.793 -1.940 199 HB3 LYS 31 2HB LYS 31 8.682 5.133 -1.482 200 HG2 LYS 31 1HG LYS 31 8.321 4.449 -3.868 201 HG3 LYS 31 2HG LYS 31 8.109 6.151 -4.282 202 HD2 LYS 31 1HD LYS 31 10.368 6.648 -3.425 203 HD3 LYS 31 2HD LYS 31 10.584 4.947 -3.009 204 HE2 LYS 31 1HE LYS 31 11.649 5.361 -5.155 205 HE3 LYS 31 2HE LYS 31 10.218 4.363 -5.416 206 HZ1 LYS 31 3HZ LYS 31 9.218 5.973 -6.567 207 HZ2 LYS 31 1HZ LYS 31 10.759 6.666 -6.710 208 HZ3 LYS 31 2HZ LYS 31 9.702 7.195 -5.490 209 H TYR 32 H TYR 32 5.434 7.634 -1.641 210 HA TYR 32 HA TYR 32 3.671 7.700 -3.819 211 HB2 TYR 32 2HB TYR 32 3.358 9.101 -1.837 212 HB3 TYR 32 1HB TYR 32 4.819 10.004 -2.236 213 HD1 TYR 32 1HD TYR 32 1.479 9.038 -3.603 214 HD2 TYR 32 2HD TYR 32 4.723 11.854 -3.696 215 HE1 TYR 32 1HE TYR 32 0.157 10.512 -5.097 216 HE2 TYR 32 2HE TYR 32 3.401 13.326 -5.190 217 HH TYR 32 HH TYR 32 0.205 13.162 -5.575 218 H ARG 33 H ARG 33 6.818 9.237 -3.378 219 HA ARG 33 HA ARG 33 6.881 10.381 -6.002 220 HB2 ARG 33 1HB ARG 33 9.253 10.861 -5.482 221 HB3 ARG 33 2HB ARG 33 8.178 11.363 -4.175 222 HG2 ARG 33 1HG ARG 33 8.671 9.261 -2.968 223 HG3 ARG 33 2HG ARG 33 9.764 8.778 -4.265 224 HD2 ARG 33 1HD ARG 33 11.053 9.769 -2.446 225 HD3 ARG 33 2HD ARG 33 11.113 10.825 -3.855 226 HE ARG 33 HE ARG 33 8.960 11.547 -2.120 227 HH11 ARG 33 1HH1 ARG 33 9.212 13.446 -0.899 228 HH12 ARG 33 2HH1 ARG 33 10.791 14.123 -0.676 229 HH21 ARG 33 2HH2 ARG 33 12.592 13.118 -1.601 230 HH22 ARG 33 1HH2 ARG 33 12.393 11.670 -2.530 Start of MODEL 13 1 HA ASN 1 HA ASN 1 1.758 -0.566 12.756 2 HB2 ASN 1 1HB ASN 1 0.928 -2.757 13.890 3 HB3 ASN 1 2HB ASN 1 -0.018 -2.976 12.418 4 HD21 ASN 1 1HD2 ASN 1 2.838 -4.549 11.054 5 HD22 ASN 1 2HD2 ASN 1 1.217 -4.723 11.529 6 H CYS 2 H CYS 2 2.021 -0.441 10.536 7 HA CYS 2 HA CYS 2 -0.417 -0.236 8.891 8 HB2 CYS 2 2HB CYS 2 1.179 1.532 7.679 9 HB3 CYS 2 1HB CYS 2 0.047 1.986 8.950 10 H ALA 3 H ALA 3 0.302 -0.122 6.480 11 HA ALA 3 HA ALA 3 1.544 -2.595 5.869 12 HB1 ALA 3 3HB ALA 3 0.273 -0.420 4.400 13 HB2 ALA 3 1HB ALA 3 0.312 -2.146 4.042 14 HB3 ALA 3 2HB ALA 3 1.652 -1.109 3.532 15 H LYS 4 H LYS 4 3.551 -3.064 5.064 16 HA LYS 4 HA LYS 4 5.597 -0.965 5.371 17 HB2 LYS 4 1HB LYS 4 5.907 -3.978 5.386 18 HB3 LYS 4 2HB LYS 4 7.198 -2.803 5.632 19 HG2 LYS 4 1HG LYS 4 5.897 -1.884 7.572 20 HG3 LYS 4 2HG LYS 4 4.766 -3.222 7.384 21 HD2 LYS 4 1HD LYS 4 6.615 -4.828 7.683 22 HD3 LYS 4 2HD LYS 4 7.733 -3.478 7.881 23 HE2 LYS 4 1HE LYS 4 6.483 -2.717 9.864 24 HE3 LYS 4 2HE LYS 4 5.352 -4.054 9.671 25 HZ1 LYS 4 3HZ LYS 4 8.264 -4.269 10.216 26 HZ2 LYS 4 1HZ LYS 4 7.238 -5.588 9.923 27 HZ3 LYS 4 2HZ LYS 4 7.003 -4.621 11.299 28 H GLU 5 H GLU 5 6.892 -0.436 3.676 29 HA GLU 5 HA GLU 5 6.223 -0.497 1.096 30 HB2 GLU 5 1HB GLU 5 8.278 0.582 2.071 31 HB3 GLU 5 2HB GLU 5 9.070 -0.988 1.970 32 HG2 GLU 5 1HG GLU 5 8.622 -1.058 -0.450 33 HG3 GLU 5 2HG GLU 5 7.854 0.522 -0.352 34 H GLY 6 H GLY 6 5.636 -2.039 -0.265 35 HA2 GLY 6 1HA GLY 6 5.990 -3.920 -1.626 36 HA3 GLY 6 2HA GLY 6 7.264 -4.451 -0.537 37 H GLU 7 H GLU 7 4.214 -3.489 0.847 38 HA GLU 7 HA GLU 7 3.765 -6.277 1.625 39 HB2 GLU 7 1HB GLU 7 3.026 -3.633 2.767 40 HB3 GLU 7 2HB GLU 7 1.948 -4.989 3.075 41 HG2 GLU 7 1HG GLU 7 4.931 -5.119 3.554 42 HG3 GLU 7 2HG GLU 7 3.768 -4.684 4.797 43 H VAL 8 H VAL 8 1.212 -3.931 1.540 44 HA VAL 8 HA VAL 8 0.004 -4.464 -0.895 45 HB VAL 8 HB VAL 8 -0.278 -6.732 -0.497 46 HG11 VAL 8 1HG1 VAL 8 -1.344 -7.343 1.878 47 HG12 VAL 8 2HG1 VAL 8 -0.524 -5.853 2.347 48 HG13 VAL 8 3HG1 VAL 8 0.399 -7.192 1.665 49 HG21 VAL 8 3HG2 VAL 8 -2.795 -5.723 0.815 50 HG22 VAL 8 1HG2 VAL 8 -2.605 -7.033 -0.351 51 HG23 VAL 8 2HG2 VAL 8 -2.449 -5.357 -0.875 52 H CYS 9 H CYS 9 -1.610 -3.045 -1.159 53 HA CYS 9 HA CYS 9 -3.190 -2.233 1.190 54 HB2 CYS 9 2HB CYS 9 -2.856 0.204 0.284 55 HB3 CYS 9 1HB CYS 9 -1.637 -0.512 1.343 56 H GLY 10 H GLY 10 -5.116 -0.977 0.601 57 HA2 GLY 10 1HA GLY 10 -6.709 -0.207 -0.993 58 HA3 GLY 10 2HA GLY 10 -5.917 -1.187 -2.223 59 H TRP 11 H TRP 11 -5.870 -3.284 0.138 60 HA TRP 11 HA TRP 11 -8.669 -4.040 0.089 61 HB2 TRP 11 2HB TRP 11 -6.532 -5.944 -0.802 62 HB3 TRP 11 1HB TRP 11 -8.265 -6.218 -0.781 63 HD1 TRP 11 1HD TRP 11 -5.595 -5.161 -3.001 64 HE1 TRP 11 1HE TRP 11 -6.531 -4.105 -5.146 65 HE3 TRP 11 3HE TRP 11 -10.345 -4.364 -1.493 66 HZ2 TRP 11 2HZ TRP 11 -9.024 -2.980 -6.078 67 HZ3 TRP 11 3HZ TRP 11 -12.006 -3.284 -2.996 68 HH2 TRP 11 2HH TRP 11 -11.347 -2.587 -5.289 69 H GLY 12 H GLY 12 -5.670 -3.870 1.582 70 HA2 GLY 12 1HA GLY 12 -6.686 -5.328 3.930 71 HA3 GLY 12 2HA GLY 12 -5.109 -5.771 3.285 72 H SER 13 H SER 13 -4.516 -2.979 2.511 73 HA SER 13 HA SER 13 -4.296 -1.666 5.132 74 HB2 SER 13 1HB SER 13 -2.218 -3.091 4.491 75 HB3 SER 13 2HB SER 13 -1.904 -1.810 3.325 76 HG SER 13 HG SER 13 -1.601 -0.400 4.929 77 H LYS 14 H LYS 14 -2.979 0.523 4.646 78 HA LYS 14 HA LYS 14 -3.840 1.709 2.119 79 HB2 LYS 14 1HB LYS 14 -4.963 3.583 3.263 80 HB3 LYS 14 2HB LYS 14 -5.766 2.049 3.601 81 HG2 LYS 14 1HG LYS 14 -4.540 1.890 5.749 82 HG3 LYS 14 2HG LYS 14 -3.771 3.442 5.418 83 HD2 LYS 14 1HD LYS 14 -5.979 4.533 5.354 84 HD3 LYS 14 2HD LYS 14 -6.754 2.983 5.687 85 HE2 LYS 14 1HE LYS 14 -5.558 2.828 7.830 86 HE3 LYS 14 2HE LYS 14 -4.754 4.363 7.503 87 HZ1 LYS 14 3HZ LYS 14 -6.503 5.424 8.306 88 HZ2 LYS 14 1HZ LYS 14 -7.256 3.946 8.662 89 HZ3 LYS 14 2HZ LYS 14 -7.519 4.692 7.158 90 H CYS 15 H CYS 15 -1.248 1.076 3.264 91 HA CYS 15 HA CYS 15 0.818 2.029 3.567 92 HB2 CYS 15 2HB CYS 15 -0.676 4.134 2.035 93 HB3 CYS 15 1HB CYS 15 0.941 4.438 2.593 94 H CYS 16 H CYS 16 1.808 2.761 5.303 95 HA CYS 16 HA CYS 16 0.512 3.766 7.516 96 HB2 CYS 16 2HB CYS 16 2.994 2.897 7.101 97 HB3 CYS 16 1HB CYS 16 3.315 4.632 7.081 98 H HIS 17 H HIS 17 2.664 5.686 5.425 99 HA HIS 17 HA HIS 17 0.853 7.847 5.171 100 HB2 HIS 17 1HB HIS 17 1.569 7.923 7.680 101 HB3 HIS 17 2HB HIS 17 3.091 8.545 7.051 102 HD1 HIS 17 HD1 HIS 17 -0.627 9.272 6.514 103 HD2 HIS 17 HD2 HIS 17 3.014 11.283 6.801 104 HE1 HIS 17 HE1 HIS 17 -1.154 11.741 6.312 105 H GLY 18 H GLY 18 4.065 6.621 5.198 106 HA2 GLY 18 1HA GLY 18 4.995 8.688 3.311 107 HA3 GLY 18 2HA GLY 18 6.016 7.511 4.129 108 H LEU 19 H LEU 19 3.311 5.943 3.026 109 HA LEU 19 HA LEU 19 4.657 5.110 0.533 110 HB2 LEU 19 1HB LEU 19 2.981 3.515 2.467 111 HB3 LEU 19 2HB LEU 19 3.528 2.911 0.915 112 HG LEU 19 HG LEU 19 5.387 3.958 3.063 113 HD11 LEU 19 1HD1 LEU 19 5.740 1.756 3.801 114 HD12 LEU 19 2HD1 LEU 19 5.039 1.059 2.344 115 HD13 LEU 19 3HD1 LEU 19 3.995 1.792 3.561 116 HD21 LEU 19 3HD2 LEU 19 5.710 3.057 0.294 117 HD22 LEU 19 1HD2 LEU 19 6.691 2.127 1.414 118 HD23 LEU 19 2HD2 LEU 19 6.864 3.878 1.347 119 H ASP 20 H ASP 20 3.282 4.457 -1.219 120 HA ASP 20 HA ASP 20 0.465 5.195 -1.066 121 HB2 ASP 20 1HB ASP 20 1.856 7.258 -1.686 122 HB3 ASP 20 2HB ASP 20 2.193 6.428 -3.205 123 H CYS 21 H CYS 21 -0.790 4.145 -2.571 124 HA CYS 21 HA CYS 21 0.470 2.664 -4.717 125 HB2 CYS 21 2HB CYS 21 -0.808 0.581 -3.932 126 HB3 CYS 21 1HB CYS 21 0.666 1.003 -3.093 127 HA PRO 22 HA PRO 22 -3.330 3.639 -6.713 128 HB2 PRO 22 2HB PRO 22 -3.403 1.646 -8.591 129 HB3 PRO 22 1HB PRO 22 -2.324 3.051 -8.693 130 HG2 PRO 22 2HG PRO 22 -1.726 0.275 -7.808 131 HG3 PRO 22 1HG PRO 22 -0.732 1.395 -8.742 132 HD2 PRO 22 2HD PRO 22 -0.362 0.881 -6.101 133 HD3 PRO 22 1HD PRO 22 0.104 2.403 -6.866 134 H LEU 23 H LEU 23 -5.452 2.636 -7.422 135 HA LEU 23 HA LEU 23 -6.351 0.854 -5.284 136 HB2 LEU 23 1HB LEU 23 -7.747 2.679 -7.228 137 HB3 LEU 23 2HB LEU 23 -8.647 1.456 -6.336 138 HG LEU 23 HG LEU 23 -8.624 3.685 -5.190 139 HD11 LEU 23 1HD1 LEU 23 -8.611 2.693 -3.139 140 HD12 LEU 23 2HD1 LEU 23 -6.972 2.074 -3.349 141 HD13 LEU 23 3HD1 LEU 23 -8.340 1.206 -4.046 142 HD21 LEU 23 3HD2 LEU 23 -6.618 4.661 -4.419 143 HD22 LEU 23 1HD2 LEU 23 -6.208 4.102 -6.040 144 HD23 LEU 23 2HD2 LEU 23 -5.707 3.166 -4.631 145 H ALA 24 H ALA 24 -4.781 -0.018 -7.674 146 HA ALA 24 HA ALA 24 -6.314 -1.399 -9.540 147 HB1 ALA 24 3HB ALA 24 -4.005 -1.334 -9.966 148 HB2 ALA 24 1HB ALA 24 -4.301 -3.022 -9.541 149 HB3 ALA 24 2HB ALA 24 -3.599 -1.922 -8.352 150 H PHE 25 H PHE 25 -5.816 -4.032 -9.463 151 HA PHE 25 HA PHE 25 -7.817 -5.023 -7.699 152 HB2 PHE 25 2HB PHE 25 -5.859 -6.891 -8.935 153 HB3 PHE 25 1HB PHE 25 -7.613 -6.980 -8.856 154 HD1 PHE 25 1HD PHE 25 -4.748 -5.809 -10.739 155 HD2 PHE 25 2HD PHE 25 -9.021 -5.571 -10.384 156 HE1 PHE 25 1HE PHE 25 -4.883 -4.860 -13.021 157 HE2 PHE 25 2HE PHE 25 -9.157 -4.618 -12.671 158 HZ PHE 25 HZ PHE 25 -7.087 -4.261 -13.990 159 H ILE 26 H ILE 26 -4.279 -5.178 -7.723 160 HA ILE 26 HA ILE 26 -4.332 -5.835 -4.860 161 HB ILE 26 HB ILE 26 -2.428 -7.484 -5.327 162 HG12 ILE 26 1HG1 ILE 26 -3.734 -7.489 -8.060 163 HG13 ILE 26 2HG1 ILE 26 -2.186 -6.716 -7.719 164 HG21 ILE 26 1HG2 ILE 26 -5.251 -8.112 -6.244 165 HG22 ILE 26 2HG2 ILE 26 -4.669 -8.169 -4.581 166 HG23 ILE 26 3HG2 ILE 26 -4.044 -9.309 -5.771 167 HD11 ILE 26 3HD1 ILE 26 -2.578 -9.383 -8.394 168 HD12 ILE 26 1HD1 ILE 26 -2.296 -9.411 -6.655 169 HD13 ILE 26 2HD1 ILE 26 -1.105 -8.679 -7.728 170 HA PRO 27 HA PRO 27 -1.290 -2.533 -6.125 171 HB2 PRO 27 2HB PRO 27 -2.436 -1.134 -3.811 172 HB3 PRO 27 1HB PRO 27 -2.238 -0.585 -5.485 173 HG2 PRO 27 2HG PRO 27 -4.651 -1.162 -4.455 174 HG3 PRO 27 1HG PRO 27 -4.256 -1.475 -6.149 175 HD2 PRO 27 2HD PRO 27 -4.360 -3.402 -3.872 176 HD3 PRO 27 1HD PRO 27 -4.923 -3.592 -5.539 177 H TYR 28 H TYR 28 0.554 -1.758 -4.950 178 HA TYR 28 HA TYR 28 1.062 -3.128 -2.386 179 HB2 TYR 28 2HB TYR 28 2.630 -3.199 -4.902 180 HB3 TYR 28 1HB TYR 28 3.540 -3.068 -3.396 181 HD1 TYR 28 1HD TYR 28 0.652 -4.980 -4.853 182 HD2 TYR 28 2HD TYR 28 4.040 -5.011 -2.220 183 HE1 TYR 28 1HE TYR 28 0.295 -7.390 -4.409 184 HE2 TYR 28 2HE TYR 28 3.694 -7.410 -1.786 185 HH TYR 28 HH TYR 28 1.964 -9.392 -3.647 186 H CYS 29 H CYS 29 1.569 -1.778 -0.807 187 HA CYS 29 HA CYS 29 1.728 0.982 -1.089 188 HB2 CYS 29 2HB CYS 29 2.345 -0.957 1.047 189 HB3 CYS 29 1HB CYS 29 3.116 0.619 1.192 190 H GLU 30 H GLU 30 3.141 1.677 -2.707 191 HA GLU 30 HA GLU 30 5.984 1.033 -2.357 192 HB2 GLU 30 1HB GLU 30 5.051 0.598 -4.565 193 HB3 GLU 30 2HB GLU 30 4.480 2.263 -4.678 194 HG2 GLU 30 1HG GLU 30 6.735 3.094 -4.585 195 HG3 GLU 30 2HG GLU 30 7.356 1.477 -4.280 196 H LYS 31 H LYS 31 7.485 2.625 -1.914 197 HA LYS 31 HA LYS 31 6.644 5.005 -0.669 198 HB2 LYS 31 1HB LYS 31 8.776 3.838 -0.181 199 HB3 LYS 31 2HB LYS 31 9.356 4.264 -1.790 200 HG2 LYS 31 1HG LYS 31 9.124 6.639 -1.265 201 HG3 LYS 31 2HG LYS 31 8.513 6.240 0.339 202 HD2 LYS 31 1HD LYS 31 10.643 5.118 0.875 203 HD3 LYS 31 2HD LYS 31 11.256 5.512 -0.734 204 HE2 LYS 31 1HE LYS 31 10.986 7.905 -0.258 205 HE3 LYS 31 2HE LYS 31 10.368 7.518 1.346 206 HZ1 LYS 31 3HZ LYS 31 12.749 6.137 1.084 207 HZ2 LYS 31 1HZ LYS 31 12.461 7.503 2.049 208 HZ3 LYS 31 2HZ LYS 31 13.058 7.692 0.471 209 H TYR 32 H TYR 32 6.205 6.953 -1.477 210 HA TYR 32 HA TYR 32 6.844 7.468 -4.322 211 HB2 TYR 32 2HB TYR 32 4.383 7.169 -3.657 212 HB3 TYR 32 1HB TYR 32 4.551 8.707 -2.811 213 HD1 TYR 32 1HD TYR 32 4.376 7.047 -6.051 214 HD2 TYR 32 2HD TYR 32 5.086 10.787 -4.066 215 HE1 TYR 32 1HE TYR 32 4.094 8.245 -8.209 216 HE2 TYR 32 2HE TYR 32 4.800 11.987 -6.219 217 HH TYR 32 HH TYR 32 3.394 10.659 -8.891 218 H ARG 33 H ARG 33 8.301 9.026 -4.581 219 HA ARG 33 HA ARG 33 9.155 10.720 -2.444 220 HB2 ARG 33 1HB ARG 33 9.749 10.742 -5.409 221 HB3 ARG 33 2HB ARG 33 10.523 11.817 -4.245 222 HG2 ARG 33 1HG ARG 33 11.460 9.941 -3.037 223 HG3 ARG 33 2HG ARG 33 10.544 8.796 -4.017 224 HD2 ARG 33 1HD ARG 33 12.591 10.717 -5.152 225 HD3 ARG 33 2HD ARG 33 12.955 9.051 -4.712 226 HE ARG 33 HE ARG 33 10.746 8.974 -6.418 227 HH11 ARG 33 1HH1 ARG 33 11.034 8.546 -8.630 228 HH12 ARG 33 2HH1 ARG 33 12.569 8.852 -9.373 229 HH21 ARG 33 2HH2 ARG 33 14.278 9.670 -8.140 230 HH22 ARG 33 1HH2 ARG 33 14.054 9.992 -6.454 Start of MODEL 14 1 HA ASN 1 HA ASN 1 -0.723 -2.195 12.451 2 HB2 ASN 1 1HB ASN 1 1.064 0.245 12.519 3 HB3 ASN 1 2HB ASN 1 -0.694 0.349 12.519 4 HD21 ASN 1 1HD2 ASN 1 0.558 0.258 16.072 5 HD22 ASN 1 2HD2 ASN 1 0.897 1.262 14.747 6 H CYS 2 H CYS 2 1.137 0.140 10.514 7 HA CYS 2 HA CYS 2 -0.718 -0.067 8.331 8 HB2 CYS 2 2HB CYS 2 0.559 1.673 7.334 9 HB3 CYS 2 1HB CYS 2 0.454 2.047 9.048 10 H ALA 3 H ALA 3 0.594 -0.003 6.056 11 HA ALA 3 HA ALA 3 1.801 -2.670 5.901 12 HB1 ALA 3 3HB ALA 3 0.420 -2.703 4.110 13 HB2 ALA 3 1HB ALA 3 1.680 -1.743 3.325 14 HB3 ALA 3 2HB ALA 3 0.289 -0.943 4.069 15 H LYS 4 H LYS 4 3.904 -2.958 5.661 16 HA LYS 4 HA LYS 4 5.660 -0.669 5.353 17 HB2 LYS 4 1HB LYS 4 6.224 -3.622 5.631 18 HB3 LYS 4 2HB LYS 4 7.454 -2.356 5.590 19 HG2 LYS 4 1HG LYS 4 6.379 -1.278 7.552 20 HG3 LYS 4 2HG LYS 4 5.215 -2.605 7.618 21 HD2 LYS 4 1HD LYS 4 7.063 -4.210 7.908 22 HD3 LYS 4 2HD LYS 4 8.210 -2.872 7.845 23 HE2 LYS 4 1HE LYS 4 7.182 -1.877 9.847 24 HE3 LYS 4 2HE LYS 4 6.013 -3.195 9.909 25 HZ1 LYS 4 3HZ LYS 4 8.130 -3.341 11.337 26 HZ2 LYS 4 1HZ LYS 4 8.903 -3.765 9.889 27 HZ3 LYS 4 2HZ LYS 4 7.627 -4.719 10.480 28 H GLU 5 H GLU 5 6.931 -0.253 3.613 29 HA GLU 5 HA GLU 5 6.071 -0.521 1.086 30 HB2 GLU 5 1HB GLU 5 8.048 0.824 1.838 31 HB3 GLU 5 2HB GLU 5 8.993 -0.663 1.873 32 HG2 GLU 5 1HG GLU 5 8.542 -1.024 -0.507 33 HG3 GLU 5 2HG GLU 5 7.568 0.443 -0.558 34 H GLY 6 H GLY 6 5.774 -2.140 -0.312 35 HA2 GLY 6 1HA GLY 6 6.512 -4.088 -1.500 36 HA3 GLY 6 2HA GLY 6 7.398 -4.587 -0.062 37 H GLU 7 H GLU 7 4.581 -3.477 1.124 38 HA GLU 7 HA GLU 7 3.430 -6.176 1.243 39 HB2 GLU 7 1HB GLU 7 2.941 -3.697 2.905 40 HB3 GLU 7 2HB GLU 7 2.048 -5.207 3.100 41 HG2 GLU 7 1HG GLU 7 5.069 -5.046 3.228 42 HG3 GLU 7 2HG GLU 7 4.038 -4.935 4.651 43 H VAL 8 H VAL 8 1.217 -6.557 0.829 44 HA VAL 8 HA VAL 8 0.160 -5.075 -1.383 45 HB VAL 8 HB VAL 8 -1.636 -6.676 -1.373 46 HG11 VAL 8 1HG1 VAL 8 -0.075 -8.032 -2.274 47 HG12 VAL 8 2HG1 VAL 8 0.042 -8.787 -0.687 48 HG13 VAL 8 3HG1 VAL 8 1.157 -7.502 -1.134 49 HG21 VAL 8 3HG2 VAL 8 -0.661 -7.230 1.432 50 HG22 VAL 8 1HG2 VAL 8 -1.669 -8.380 0.556 51 HG23 VAL 8 2HG2 VAL 8 -2.282 -6.766 0.915 52 H CYS 9 H CYS 9 -1.375 -3.481 -1.414 53 HA CYS 9 HA CYS 9 -3.050 -3.064 0.942 54 HB2 CYS 9 2HB CYS 9 -2.289 -0.539 0.689 55 HB3 CYS 9 1HB CYS 9 -1.367 -1.665 1.680 56 H GLY 10 H GLY 10 -4.535 -1.087 0.490 57 HA2 GLY 10 1HA GLY 10 -5.659 0.259 -1.171 58 HA3 GLY 10 2HA GLY 10 -5.206 -0.931 -2.381 59 H TRP 11 H TRP 11 -5.931 -3.017 -0.197 60 HA TRP 11 HA TRP 11 -8.840 -2.775 -0.353 61 HB2 TRP 11 2HB TRP 11 -7.379 -5.302 -1.038 62 HB3 TRP 11 1HB TRP 11 -9.101 -4.995 -1.166 63 HD1 TRP 11 1HD TRP 11 -6.069 -4.956 -3.152 64 HE1 TRP 11 1HE TRP 11 -6.403 -3.675 -5.367 65 HE3 TRP 11 3HE TRP 11 -10.395 -2.594 -2.075 66 HZ2 TRP 11 2HZ TRP 11 -8.299 -1.847 -6.516 67 HZ3 TRP 11 3HZ TRP 11 -11.474 -1.071 -3.725 68 HH2 TRP 11 2HH TRP 11 -10.424 -0.695 -5.940 69 H GLY 12 H GLY 12 -6.075 -3.469 1.402 70 HA2 GLY 12 1HA GLY 12 -7.695 -4.472 3.646 71 HA3 GLY 12 2HA GLY 12 -6.242 -5.354 3.188 72 H SER 13 H SER 13 -4.865 -2.841 2.421 73 HA SER 13 HA SER 13 -4.446 -1.636 5.080 74 HB2 SER 13 1HB SER 13 -2.438 -2.899 3.272 75 HB3 SER 13 2HB SER 13 -1.957 -1.552 4.301 76 HG SER 13 HG SER 13 -2.913 -2.786 6.054 77 H LYS 14 H LYS 14 -3.676 0.507 5.091 78 HA LYS 14 HA LYS 14 -4.029 1.940 2.534 79 HB2 LYS 14 1HB LYS 14 -4.683 2.814 5.360 80 HB3 LYS 14 2HB LYS 14 -4.734 3.866 3.948 81 HG2 LYS 14 1HG LYS 14 -6.454 2.513 2.918 82 HG3 LYS 14 2HG LYS 14 -6.300 1.284 4.171 83 HD2 LYS 14 1HD LYS 14 -8.248 2.583 4.709 84 HD3 LYS 14 2HD LYS 14 -6.990 3.047 5.853 85 HE2 LYS 14 1HE LYS 14 -6.531 5.079 4.640 86 HE3 LYS 14 2HE LYS 14 -7.554 4.574 3.296 87 HZ1 LYS 14 3HZ LYS 14 -9.109 5.756 4.359 88 HZ2 LYS 14 1HZ LYS 14 -8.275 5.741 5.834 89 HZ3 LYS 14 2HZ LYS 14 -9.230 4.409 5.387 90 H CYS 15 H CYS 15 -1.568 0.777 3.865 91 HA CYS 15 HA CYS 15 0.608 1.372 4.244 92 HB2 CYS 15 2HB CYS 15 -0.347 3.658 2.534 93 HB3 CYS 15 1HB CYS 15 1.320 3.450 3.020 94 H CYS 16 H CYS 16 2.044 2.903 5.331 95 HA CYS 16 HA CYS 16 0.912 3.936 7.708 96 HB2 CYS 16 2HB CYS 16 3.560 3.652 6.553 97 HB3 CYS 16 1HB CYS 16 3.384 5.172 7.429 98 H HIS 17 H HIS 17 2.582 5.749 5.124 99 HA HIS 17 HA HIS 17 0.705 7.683 4.611 100 HB2 HIS 17 1HB HIS 17 1.947 8.062 7.252 101 HB3 HIS 17 2HB HIS 17 2.016 9.480 6.209 102 HD1 HIS 17 HD1 HIS 17 -0.517 9.772 4.875 103 HD2 HIS 17 HD2 HIS 17 -0.389 8.112 8.696 104 HE1 HIS 17 HE1 HIS 17 -2.837 10.047 5.854 105 H GLY 18 H GLY 18 3.956 6.756 5.033 106 HA2 GLY 18 1HA GLY 18 4.985 8.960 3.384 107 HA3 GLY 18 2HA GLY 18 5.956 7.756 4.228 108 H LEU 19 H LEU 19 3.420 6.192 2.802 109 HA LEU 19 HA LEU 19 4.973 5.589 0.374 110 HB2 LEU 19 1HB LEU 19 3.376 3.784 2.174 111 HB3 LEU 19 2HB LEU 19 3.930 3.298 0.583 112 HG LEU 19 HG LEU 19 5.883 4.383 2.604 113 HD11 LEU 19 1HD1 LEU 19 4.555 2.437 3.603 114 HD12 LEU 19 2HD1 LEU 19 6.287 2.162 3.447 115 HD13 LEU 19 3HD1 LEU 19 5.178 1.452 2.278 116 HD21 LEU 19 3HD2 LEU 19 6.497 2.161 0.747 117 HD22 LEU 19 1HD2 LEU 19 7.451 3.589 1.141 118 HD23 LEU 19 2HD2 LEU 19 6.134 3.699 -0.022 119 H ASP 20 H ASP 20 3.135 3.989 -0.887 120 HA ASP 20 HA ASP 20 0.568 5.337 -0.996 121 HB2 ASP 20 1HB ASP 20 2.295 6.648 -2.425 122 HB3 ASP 20 2HB ASP 20 2.180 5.283 -3.533 123 H CYS 21 H CYS 21 -1.006 4.117 -2.066 124 HA CYS 21 HA CYS 21 -0.154 1.615 -3.344 125 HB2 CYS 21 2HB CYS 21 -0.841 1.476 -0.767 126 HB3 CYS 21 1HB CYS 21 -2.440 1.353 -1.487 127 HA PRO 22 HA PRO 22 -3.373 3.678 -5.887 128 HB2 PRO 22 2HB PRO 22 -2.420 1.663 -7.845 129 HB3 PRO 22 1HB PRO 22 -2.538 3.425 -8.011 130 HG2 PRO 22 2HG PRO 22 -0.185 2.197 -7.744 131 HG3 PRO 22 1HG PRO 22 -0.489 3.785 -7.037 132 HD2 PRO 22 2HD PRO 22 -0.379 1.111 -5.707 133 HD3 PRO 22 1HD PRO 22 0.194 2.692 -5.154 134 H LEU 23 H LEU 23 -5.409 2.979 -6.624 135 HA LEU 23 HA LEU 23 -6.323 0.481 -5.480 136 HB2 LEU 23 1HB LEU 23 -7.559 2.918 -6.652 137 HB3 LEU 23 2HB LEU 23 -8.486 1.422 -6.758 138 HG LEU 23 HG LEU 23 -8.450 1.132 -4.370 139 HD11 LEU 23 1HD1 LEU 23 -6.361 1.734 -3.541 140 HD12 LEU 23 2HD1 LEU 23 -7.294 3.153 -3.075 141 HD13 LEU 23 3HD1 LEU 23 -6.288 3.201 -4.518 142 HD21 LEU 23 3HD2 LEU 23 -9.800 2.940 -3.742 143 HD22 LEU 23 1HD2 LEU 23 -9.895 2.998 -5.505 144 HD23 LEU 23 2HD2 LEU 23 -8.819 4.100 -4.643 145 H ALA 24 H ALA 24 -5.548 -1.196 -6.605 146 HA ALA 24 HA ALA 24 -6.494 -1.560 -9.353 147 HB1 ALA 24 3HB ALA 24 -3.645 -2.206 -8.672 148 HB2 ALA 24 1HB ALA 24 -4.088 -0.601 -9.271 149 HB3 ALA 24 2HB ALA 24 -4.390 -2.029 -10.268 150 H PHE 25 H PHE 25 -4.617 -3.769 -9.698 151 HA PHE 25 HA PHE 25 -6.082 -5.803 -8.196 152 HB2 PHE 25 2HB PHE 25 -5.615 -5.947 -10.692 153 HB3 PHE 25 1HB PHE 25 -3.937 -6.248 -10.262 154 HD1 PHE 25 1HD PHE 25 -7.377 -7.394 -9.346 155 HD2 PHE 25 2HD PHE 25 -3.269 -8.473 -9.960 156 HE1 PHE 25 1HE PHE 25 -7.941 -9.769 -8.929 157 HE2 PHE 25 2HE PHE 25 -3.827 -10.851 -9.533 158 HZ PHE 25 HZ PHE 25 -6.166 -11.500 -9.019 159 H ILE 26 H ILE 26 -5.344 -6.225 -6.336 160 HA ILE 26 HA ILE 26 -3.974 -6.340 -4.492 161 HB ILE 26 HB ILE 26 -3.747 -8.551 -5.490 162 HG12 ILE 26 1HG1 ILE 26 -1.176 -8.836 -4.696 163 HG13 ILE 26 2HG1 ILE 26 -1.570 -7.298 -3.936 164 HG21 ILE 26 1HG2 ILE 26 -2.890 -8.170 -7.657 165 HG22 ILE 26 2HG2 ILE 26 -1.647 -9.070 -6.801 166 HG23 ILE 26 3HG2 ILE 26 -1.463 -7.346 -7.049 167 HD11 ILE 26 3HD1 ILE 26 -3.742 -8.487 -3.156 168 HD12 ILE 26 1HD1 ILE 26 -2.235 -8.873 -2.328 169 HD13 ILE 26 2HD1 ILE 26 -2.881 -9.978 -3.539 170 HA PRO 27 HA PRO 27 -1.126 -2.988 -6.212 171 HB2 PRO 27 2HB PRO 27 -2.390 -1.473 -4.024 172 HB3 PRO 27 1HB PRO 27 -2.104 -1.000 -5.701 173 HG2 PRO 27 2HG PRO 27 -4.539 -1.565 -4.768 174 HG3 PRO 27 1HG PRO 27 -4.040 -1.966 -6.418 175 HD2 PRO 27 2HD PRO 27 -4.321 -3.759 -4.065 176 HD3 PRO 27 1HD PRO 27 -4.693 -4.069 -5.756 177 H TYR 28 H TYR 28 0.683 -2.045 -5.061 178 HA TYR 28 HA TYR 28 1.192 -3.328 -2.442 179 HB2 TYR 28 2HB TYR 28 2.819 -3.204 -4.918 180 HB3 TYR 28 1HB TYR 28 3.679 -3.028 -3.391 181 HD1 TYR 28 1HD TYR 28 0.865 -5.172 -4.738 182 HD2 TYR 28 2HD TYR 28 4.525 -5.005 -2.494 183 HE1 TYR 28 1HE TYR 28 0.771 -7.607 -4.417 184 HE2 TYR 28 2HE TYR 28 4.425 -7.459 -2.173 185 HH TYR 28 HH TYR 28 2.415 -9.236 -2.161 186 H CYS 29 H CYS 29 2.359 -2.154 -0.912 187 HA CYS 29 HA CYS 29 1.940 0.677 -1.003 188 HB2 CYS 29 2HB CYS 29 1.972 -0.937 1.057 189 HB3 CYS 29 1HB CYS 29 3.717 -0.718 0.981 190 H GLU 30 H GLU 30 3.166 1.847 -2.381 191 HA GLU 30 HA GLU 30 6.100 1.501 -2.234 192 HB2 GLU 30 1HB GLU 30 4.409 2.011 -4.689 193 HB3 GLU 30 2HB GLU 30 6.169 2.126 -4.652 194 HG2 GLU 30 1HG GLU 30 6.319 -0.220 -3.943 195 HG3 GLU 30 2HG GLU 30 4.562 -0.344 -3.948 196 H LYS 31 H LYS 31 7.328 3.361 -2.310 197 HA LYS 31 HA LYS 31 5.860 5.838 -1.741 198 HB2 LYS 31 1HB LYS 31 8.308 6.622 -1.277 199 HB3 LYS 31 2HB LYS 31 7.506 5.570 -0.116 200 HG2 LYS 31 1HG LYS 31 8.602 3.613 -1.043 201 HG3 LYS 31 2HG LYS 31 9.293 4.573 -2.352 202 HD2 LYS 31 1HD LYS 31 9.847 5.397 0.476 203 HD3 LYS 31 2HD LYS 31 10.725 4.018 -0.189 204 HE2 LYS 31 1HE LYS 31 11.443 5.427 -2.108 205 HE3 LYS 31 2HE LYS 31 10.617 6.806 -1.386 206 HZ1 LYS 31 3HZ LYS 31 13.076 5.473 -0.564 207 HZ2 LYS 31 1HZ LYS 31 12.072 6.067 0.668 208 HZ3 LYS 31 2HZ LYS 31 12.667 7.121 -0.524 209 H TYR 32 H TYR 32 6.191 7.729 -2.841 210 HA TYR 32 HA TYR 32 7.734 7.590 -5.354 211 HB2 TYR 32 2HB TYR 32 4.927 8.673 -5.027 212 HB3 TYR 32 1HB TYR 32 5.923 8.892 -6.467 213 HD1 TYR 32 1HD TYR 32 4.016 6.477 -4.444 214 HD2 TYR 32 2HD TYR 32 6.495 7.004 -7.914 215 HE1 TYR 32 1HE TYR 32 3.338 4.238 -5.272 216 HE2 TYR 32 2HE TYR 32 5.817 4.765 -8.738 217 HH TYR 32 HH TYR 32 3.524 3.237 -8.228 218 H ARG 33 H ARG 33 8.602 9.548 -6.085 219 HA ARG 33 HA ARG 33 9.885 11.414 -5.601 220 HB2 ARG 33 1HB ARG 33 7.091 12.382 -4.968 221 HB3 ARG 33 2HB ARG 33 8.468 13.389 -5.407 222 HG2 ARG 33 1HG ARG 33 8.642 12.058 -7.550 223 HG3 ARG 33 2HG ARG 33 7.100 11.315 -7.128 224 HD2 ARG 33 1HD ARG 33 7.588 14.284 -7.471 225 HD3 ARG 33 2HD ARG 33 6.775 13.237 -8.628 226 HE ARG 33 HE ARG 33 5.692 14.209 -6.101 227 HH11 ARG 33 1HH1 ARG 33 3.480 13.807 -5.808 228 HH12 ARG 33 2HH1 ARG 33 2.653 12.719 -6.873 229 HH21 ARG 33 2HH2 ARG 33 3.780 11.704 -8.549 230 HH22 ARG 33 1HH2 ARG 33 5.469 12.011 -8.768 Start of MODEL 15 1 HA ASN 1 HA ASN 1 -0.867 -0.781 12.232 2 HB2 ASN 1 1HB ASN 1 0.692 -3.305 11.617 3 HB3 ASN 1 2HB ASN 1 1.403 -1.694 11.562 4 HD21 ASN 1 1HD2 ASN 1 1.853 -3.206 15.001 5 HD22 ASN 1 2HD2 ASN 1 2.225 -3.768 13.443 6 H CYS 2 H CYS 2 0.412 0.106 10.330 7 HA CYS 2 HA CYS 2 -1.166 -0.103 7.950 8 HB2 CYS 2 2HB CYS 2 0.303 1.629 7.102 9 HB3 CYS 2 1HB CYS 2 -0.205 2.037 8.737 10 H ALA 3 H ALA 3 0.117 -0.171 5.808 11 HA ALA 3 HA ALA 3 1.401 -2.762 5.671 12 HB1 ALA 3 3HB ALA 3 1.655 -1.874 3.175 13 HB2 ALA 3 1HB ALA 3 0.415 -0.741 3.714 14 HB3 ALA 3 2HB ALA 3 0.110 -2.477 3.786 15 H LYS 4 H LYS 4 3.528 -3.171 4.993 16 HA LYS 4 HA LYS 4 5.378 -0.931 5.306 17 HB2 LYS 4 1HB LYS 4 6.036 -2.469 6.883 18 HB3 LYS 4 2HB LYS 4 5.436 -3.841 5.952 19 HG2 LYS 4 1HG LYS 4 7.273 -3.858 4.531 20 HG3 LYS 4 2HG LYS 4 7.715 -2.205 4.923 21 HD2 LYS 4 1HD LYS 4 9.322 -3.609 6.011 22 HD3 LYS 4 2HD LYS 4 8.247 -2.992 7.263 23 HE2 LYS 4 1HE LYS 4 8.657 -5.414 7.544 24 HE3 LYS 4 2HE LYS 4 6.958 -5.099 7.196 25 HZ1 LYS 4 3HZ LYS 4 7.098 -6.076 5.191 26 HZ2 LYS 4 1HZ LYS 4 8.433 -6.871 5.869 27 HZ3 LYS 4 2HZ LYS 4 8.668 -5.504 4.888 28 H GLU 5 H GLU 5 6.802 -0.488 3.695 29 HA GLU 5 HA GLU 5 6.329 -0.701 1.091 30 HB2 GLU 5 1HB GLU 5 8.260 0.500 2.098 31 HB3 GLU 5 2HB GLU 5 9.086 -1.047 2.290 32 HG2 GLU 5 1HG GLU 5 8.985 -1.415 -0.130 33 HG3 GLU 5 2HG GLU 5 8.131 0.107 -0.337 34 H GLY 6 H GLY 6 5.896 -2.329 -0.240 35 HA2 GLY 6 1HA GLY 6 6.576 -4.297 -1.431 36 HA3 GLY 6 2HA GLY 6 7.463 -4.821 -0.006 37 H GLU 7 H GLU 7 4.457 -3.558 0.831 38 HA GLU 7 HA GLU 7 3.313 -6.272 1.078 39 HB2 GLU 7 1HB GLU 7 2.922 -3.785 2.739 40 HB3 GLU 7 2HB GLU 7 1.902 -5.216 2.888 41 HG2 GLU 7 1HG GLU 7 4.916 -5.328 3.099 42 HG3 GLU 7 2HG GLU 7 3.870 -5.100 4.499 43 H VAL 8 H VAL 8 1.060 -6.548 0.698 44 HA VAL 8 HA VAL 8 0.073 -4.931 -1.490 45 HB VAL 8 HB VAL 8 -0.264 -7.267 -1.718 46 HG11 VAL 8 1HG1 VAL 8 -2.020 -8.021 0.334 47 HG12 VAL 8 2HG1 VAL 8 -0.764 -7.085 1.144 48 HG13 VAL 8 3HG1 VAL 8 -0.330 -8.496 0.179 49 HG21 VAL 8 3HG2 VAL 8 -2.973 -6.405 -0.750 50 HG22 VAL 8 1HG2 VAL 8 -2.548 -7.309 -2.203 51 HG23 VAL 8 2HG2 VAL 8 -2.238 -5.575 -2.122 52 H CYS 9 H CYS 9 -1.550 -3.437 -1.450 53 HA CYS 9 HA CYS 9 -3.013 -3.113 1.122 54 HB2 CYS 9 2HB CYS 9 -2.922 -0.610 0.460 55 HB3 CYS 9 1HB CYS 9 -1.472 -1.341 1.158 56 H GLY 10 H GLY 10 -4.810 -1.255 0.554 57 HA2 GLY 10 1HA GLY 10 -6.638 -0.639 -0.757 58 HA3 GLY 10 2HA GLY 10 -6.001 -1.627 -2.067 59 H TRP 11 H TRP 11 -5.814 -3.577 0.488 60 HA TRP 11 HA TRP 11 -8.592 -4.371 0.451 61 HB2 TRP 11 2HB TRP 11 -6.400 -6.312 -0.164 62 HB3 TRP 11 1HB TRP 11 -8.124 -6.619 -0.164 63 HD1 TRP 11 1HD TRP 11 -5.392 -5.657 -2.408 64 HE1 TRP 11 1HE TRP 11 -6.325 -4.889 -4.684 65 HE3 TRP 11 3HE TRP 11 -10.243 -4.977 -1.133 66 HZ2 TRP 11 2HZ TRP 11 -8.834 -4.068 -5.803 67 HZ3 TRP 11 3HZ TRP 11 -11.908 -4.185 -2.807 68 HH2 TRP 11 2HH TRP 11 -11.200 -3.723 -5.139 69 H GLY 12 H GLY 12 -6.274 -3.412 2.294 70 HA2 GLY 12 1HA GLY 12 -7.219 -4.529 4.687 71 HA3 GLY 12 2HA GLY 12 -5.789 -5.436 4.201 72 H SER 13 H SER 13 -4.939 -2.792 2.833 73 HA SER 13 HA SER 13 -4.183 -1.226 5.184 74 HB2 SER 13 1HB SER 13 -2.240 -2.531 3.295 75 HB3 SER 13 2HB SER 13 -1.811 -1.168 4.316 76 HG SER 13 HG SER 13 -2.837 -3.685 5.151 77 H LYS 14 H LYS 14 -3.203 0.863 4.616 78 HA LYS 14 HA LYS 14 -3.754 1.756 1.881 79 HB2 LYS 14 1HB LYS 14 -4.835 3.025 4.403 80 HB3 LYS 14 2HB LYS 14 -4.850 3.792 2.820 81 HG2 LYS 14 1HG LYS 14 -6.173 1.917 1.914 82 HG3 LYS 14 2HG LYS 14 -6.161 1.149 3.501 83 HD2 LYS 14 1HD LYS 14 -7.319 3.117 4.455 84 HD3 LYS 14 2HD LYS 14 -7.365 3.854 2.852 85 HE2 LYS 14 1HE LYS 14 -8.614 1.186 3.572 86 HE3 LYS 14 2HE LYS 14 -9.497 2.704 3.401 87 HZ1 LYS 14 3HZ LYS 14 -8.518 0.929 1.380 88 HZ2 LYS 14 1HZ LYS 14 -8.032 2.532 1.115 89 HZ3 LYS 14 2HZ LYS 14 -9.683 2.161 1.268 90 H CYS 15 H CYS 15 -1.243 1.214 3.098 91 HA CYS 15 HA CYS 15 0.829 2.151 3.416 92 HB2 CYS 15 2HB CYS 15 -0.606 4.203 1.771 93 HB3 CYS 15 1HB CYS 15 0.976 4.564 2.423 94 H CYS 16 H CYS 16 1.788 2.924 5.176 95 HA CYS 16 HA CYS 16 0.439 3.929 7.352 96 HB2 CYS 16 2HB CYS 16 3.279 4.717 6.784 97 HB3 CYS 16 1HB CYS 16 2.530 4.359 8.338 98 H HIS 17 H HIS 17 2.296 5.821 4.990 99 HA HIS 17 HA HIS 17 0.552 7.922 4.724 100 HB2 HIS 17 1HB HIS 17 2.002 8.015 7.273 101 HB3 HIS 17 2HB HIS 17 2.139 9.490 6.318 102 HD1 HIS 17 HD1 HIS 17 -0.431 10.089 5.175 103 HD2 HIS 17 HD2 HIS 17 -0.240 8.172 8.872 104 HE1 HIS 17 HE1 HIS 17 -2.665 10.479 6.302 105 H GLY 18 H GLY 18 3.807 6.859 5.031 106 HA2 GLY 18 1HA GLY 18 4.792 8.945 3.193 107 HA3 GLY 18 2HA GLY 18 5.794 7.821 4.105 108 H LEU 19 H LEU 19 3.251 6.126 2.841 109 HA LEU 19 HA LEU 19 4.801 5.306 0.468 110 HB2 LEU 19 1HB LEU 19 3.082 3.687 2.345 111 HB3 LEU 19 2HB LEU 19 3.709 3.070 0.822 112 HG LEU 19 HG LEU 19 5.504 4.251 2.956 113 HD11 LEU 19 1HD1 LEU 19 4.183 2.263 3.795 114 HD12 LEU 19 2HD1 LEU 19 5.929 2.017 3.757 115 HD13 LEU 19 3HD1 LEU 19 4.914 1.320 2.497 116 HD21 LEU 19 3HD2 LEU 19 7.077 2.557 1.710 117 HD22 LEU 19 1HD2 LEU 19 6.742 4.117 0.959 118 HD23 LEU 19 2HD2 LEU 19 5.892 2.670 0.412 119 H ASP 20 H ASP 20 3.633 4.701 -1.377 120 HA ASP 20 HA ASP 20 0.935 5.889 -1.548 121 HB2 ASP 20 1HB ASP 20 2.788 6.882 -2.955 122 HB3 ASP 20 2HB ASP 20 2.827 5.349 -3.826 123 H CYS 21 H CYS 21 -0.731 4.638 -2.173 124 HA CYS 21 HA CYS 21 -0.124 1.941 -3.200 125 HB2 CYS 21 2HB CYS 21 -0.781 1.740 -0.867 126 HB3 CYS 21 1HB CYS 21 -2.250 2.660 -1.199 127 HA PRO 22 HA PRO 22 -2.872 3.842 -6.353 128 HB2 PRO 22 2HB PRO 22 -2.042 1.376 -7.780 129 HB3 PRO 22 1HB PRO 22 -1.961 3.065 -8.313 130 HG2 PRO 22 2HG PRO 22 0.225 1.707 -7.601 131 HG3 PRO 22 1HG PRO 22 0.051 3.433 -7.277 132 HD2 PRO 22 2HD PRO 22 -0.160 1.132 -5.392 133 HD3 PRO 22 1HD PRO 22 0.478 2.769 -5.150 134 H LEU 23 H LEU 23 -4.924 3.235 -7.132 135 HA LEU 23 HA LEU 23 -6.126 1.011 -5.670 136 HB2 LEU 23 1HB LEU 23 -7.239 3.381 -7.175 137 HB3 LEU 23 2HB LEU 23 -8.273 2.060 -6.635 138 HG LEU 23 HG LEU 23 -8.211 3.944 -5.003 139 HD11 LEU 23 1HD1 LEU 23 -8.137 1.282 -4.432 140 HD12 LEU 23 2HD1 LEU 23 -8.316 2.538 -3.208 141 HD13 LEU 23 3HD1 LEU 23 -6.727 1.840 -3.529 142 HD21 LEU 23 3HD2 LEU 23 -6.231 4.643 -3.955 143 HD22 LEU 23 1HD2 LEU 23 -5.726 4.404 -5.628 144 HD23 LEU 23 2HD2 LEU 23 -5.359 3.180 -4.413 145 H ALA 24 H ALA 24 -5.768 -0.847 -6.689 146 HA ALA 24 HA ALA 24 -6.851 -1.118 -9.408 147 HB1 ALA 24 3HB ALA 24 -4.443 -0.881 -9.707 148 HB2 ALA 24 1HB ALA 24 -4.927 -2.544 -10.045 149 HB3 ALA 24 2HB ALA 24 -4.143 -2.147 -8.510 150 H PHE 25 H PHE 25 -5.224 -3.858 -8.846 151 HA PHE 25 HA PHE 25 -7.479 -5.142 -7.407 152 HB2 PHE 25 2HB PHE 25 -5.820 -6.739 -9.282 153 HB3 PHE 25 1HB PHE 25 -7.542 -6.839 -8.934 154 HD1 PHE 25 1HD PHE 25 -5.034 -5.559 -11.156 155 HD2 PHE 25 2HD PHE 25 -9.069 -4.964 -9.809 156 HE1 PHE 25 1HE PHE 25 -5.509 -4.214 -13.179 157 HE2 PHE 25 2HE PHE 25 -9.545 -3.616 -11.837 158 HZ PHE 25 HZ PHE 25 -7.765 -3.241 -13.523 159 H ILE 26 H ILE 26 -4.017 -5.192 -8.112 160 HA ILE 26 HA ILE 26 -3.544 -6.503 -5.510 161 HB ILE 26 HB ILE 26 -1.468 -7.512 -6.811 162 HG12 ILE 26 1HG1 ILE 26 -2.089 -8.168 -9.111 163 HG13 ILE 26 2HG1 ILE 26 -3.569 -7.230 -8.989 164 HG21 ILE 26 1HG2 ILE 26 -2.892 -9.533 -7.290 165 HG22 ILE 26 2HG2 ILE 26 -4.302 -8.560 -6.874 166 HG23 ILE 26 3HG2 ILE 26 -3.066 -8.886 -5.658 167 HD11 ILE 26 3HD1 ILE 26 -2.326 -5.163 -8.811 168 HD12 ILE 26 1HD1 ILE 26 -1.698 -6.052 -10.196 169 HD13 ILE 26 2HD1 ILE 26 -0.801 -6.040 -8.682 170 HA PRO 27 HA PRO 27 -1.035 -2.607 -6.394 171 HB2 PRO 27 2HB PRO 27 -2.144 -1.026 -4.473 172 HB3 PRO 27 1HB PRO 27 -2.740 -1.118 -6.139 173 HG2 PRO 27 2HG PRO 27 -3.780 -2.407 -3.689 174 HG3 PRO 27 1HG PRO 27 -4.666 -1.691 -5.037 175 HD2 PRO 27 2HD PRO 27 -4.331 -4.387 -4.764 176 HD3 PRO 27 1HD PRO 27 -4.496 -3.564 -6.323 177 H TYR 28 H TYR 28 0.622 -1.748 -5.064 178 HA TYR 28 HA TYR 28 1.010 -3.066 -2.462 179 HB2 TYR 28 2HB TYR 28 2.799 -3.008 -4.838 180 HB3 TYR 28 1HB TYR 28 3.544 -2.891 -3.245 181 HD1 TYR 28 1HD TYR 28 0.967 -4.897 -5.109 182 HD2 TYR 28 2HD TYR 28 3.978 -4.839 -2.051 183 HE1 TYR 28 1HE TYR 28 0.690 -7.344 -4.781 184 HE2 TYR 28 2HE TYR 28 3.707 -7.274 -1.717 185 HH TYR 28 HH TYR 28 1.603 -8.970 -2.198 186 H CYS 29 H CYS 29 2.066 -1.895 -0.887 187 HA CYS 29 HA CYS 29 1.932 0.969 -1.199 188 HB2 CYS 29 2HB CYS 29 2.284 -0.949 1.025 189 HB3 CYS 29 1HB CYS 29 3.107 0.593 1.223 190 H GLU 30 H GLU 30 3.503 2.059 -2.165 191 HA GLU 30 HA GLU 30 6.298 1.396 -1.488 192 HB2 GLU 30 1HB GLU 30 6.976 1.639 -3.830 193 HB3 GLU 30 2HB GLU 30 5.804 0.331 -3.663 194 HG2 GLU 30 1HG GLU 30 3.999 1.937 -4.301 195 HG3 GLU 30 2HG GLU 30 5.234 3.155 -4.605 196 H LYS 31 H LYS 31 7.718 3.156 -1.554 197 HA LYS 31 HA LYS 31 6.624 5.684 -0.926 198 HB2 LYS 31 1HB LYS 31 8.940 6.484 -0.997 199 HB3 LYS 31 2HB LYS 31 8.847 4.936 -0.156 200 HG2 LYS 31 1HG LYS 31 9.503 3.782 -2.259 201 HG3 LYS 31 2HG LYS 31 9.670 5.349 -3.048 202 HD2 LYS 31 1HD LYS 31 11.399 6.005 -1.437 203 HD3 LYS 31 2HD LYS 31 11.216 4.464 -0.597 204 HE2 LYS 31 1HE LYS 31 13.137 4.362 -2.119 205 HE3 LYS 31 2HE LYS 31 11.866 3.274 -2.676 206 HZ1 LYS 31 3HZ LYS 31 11.289 5.686 -3.835 207 HZ2 LYS 31 1HZ LYS 31 11.980 4.340 -4.602 208 HZ3 LYS 31 2HZ LYS 31 12.978 5.559 -3.964 209 H TYR 32 H TYR 32 6.870 7.691 -2.085 210 HA TYR 32 HA TYR 32 7.003 7.370 -5.028 211 HB2 TYR 32 2HB TYR 32 4.651 7.632 -4.113 212 HB3 TYR 32 1HB TYR 32 5.119 9.254 -3.608 213 HD1 TYR 32 1HD TYR 32 4.388 7.051 -6.429 214 HD2 TYR 32 2HD TYR 32 5.694 10.980 -5.289 215 HE1 TYR 32 1HE TYR 32 3.990 7.856 -8.745 216 HE2 TYR 32 2HE TYR 32 5.294 11.788 -7.602 217 HH TYR 32 HH TYR 32 4.533 9.587 -10.209 218 H ARG 33 H ARG 33 8.539 8.602 -5.889 219 HA ARG 33 HA ARG 33 9.919 10.588 -4.337 220 HB2 ARG 33 1HB ARG 33 10.143 9.878 -7.273 221 HB3 ARG 33 2HB ARG 33 11.271 10.895 -6.374 222 HG2 ARG 33 1HG ARG 33 11.896 9.060 -4.937 223 HG3 ARG 33 2HG ARG 33 10.617 8.041 -5.599 224 HD2 ARG 33 1HD ARG 33 12.935 9.149 -7.207 225 HD3 ARG 33 2HD ARG 33 12.865 7.516 -6.552 226 HE ARG 33 HE ARG 33 10.538 7.907 -8.056 227 HH11 ARG 33 1HH1 ARG 33 10.430 7.138 -10.191 228 HH12 ARG 33 2HH1 ARG 33 11.890 6.846 -11.075 229 HH21 ARG 33 2HH2 ARG 33 13.895 7.228 -10.103 230 HH22 ARG 33 1HH2 ARG 33 13.972 7.813 -8.475 Start of MODEL 16 1 HA ASN 1 HA ASN 1 -0.726 -1.573 12.020 2 HB2 ASN 1 1HB ASN 1 1.625 -2.005 11.745 3 HB3 ASN 1 2HB ASN 1 0.971 -3.308 12.734 4 HD21 ASN 1 1HD2 ASN 1 3.023 -4.961 10.141 5 HD22 ASN 1 2HD2 ASN 1 3.300 -3.961 11.485 6 H CYS 2 H CYS 2 0.388 -0.266 10.332 7 HA CYS 2 HA CYS 2 -0.974 -0.494 7.830 8 HB2 CYS 2 2HB CYS 2 0.157 1.555 7.261 9 HB3 CYS 2 1HB CYS 2 -0.416 1.683 8.917 10 H ALA 3 H ALA 3 0.340 -0.183 5.784 11 HA ALA 3 HA ALA 3 1.984 -2.482 5.419 12 HB1 ALA 3 3HB ALA 3 2.392 -1.199 3.149 13 HB2 ALA 3 1HB ALA 3 1.046 -0.217 3.716 14 HB3 ALA 3 2HB ALA 3 0.837 -1.951 3.488 15 H LYS 4 H LYS 4 4.146 -2.694 5.437 16 HA LYS 4 HA LYS 4 5.755 -0.286 5.981 17 HB2 LYS 4 1HB LYS 4 6.067 -3.173 6.731 18 HB3 LYS 4 2HB LYS 4 7.429 -2.051 6.793 19 HG2 LYS 4 1HG LYS 4 4.855 -1.180 8.023 20 HG3 LYS 4 2HG LYS 4 5.808 -2.381 8.877 21 HD2 LYS 4 1HD LYS 4 7.781 -0.881 8.780 22 HD3 LYS 4 2HD LYS 4 6.799 0.332 7.958 23 HE2 LYS 4 1HE LYS 4 6.107 -0.805 10.677 24 HE3 LYS 4 2HE LYS 4 7.023 0.685 10.450 25 HZ1 LYS 4 3HZ LYS 4 4.759 0.781 8.810 26 HZ2 LYS 4 1HZ LYS 4 5.135 1.764 10.140 27 HZ3 LYS 4 2HZ LYS 4 4.252 0.330 10.367 28 H GLU 5 H GLU 5 4.992 -0.907 3.312 29 HA GLU 5 HA GLU 5 6.034 -0.794 1.266 30 HB2 GLU 5 1HB GLU 5 8.083 -0.121 2.861 31 HB3 GLU 5 2HB GLU 5 8.672 -1.686 2.294 32 HG2 GLU 5 1HG GLU 5 8.044 -0.892 -0.052 33 HG3 GLU 5 2HG GLU 5 7.888 0.715 0.647 34 H GLY 6 H GLY 6 5.850 -2.340 -0.236 35 HA2 GLY 6 1HA GLY 6 6.088 -4.416 -1.261 36 HA3 GLY 6 2HA GLY 6 6.999 -4.969 0.140 37 H GLU 7 H GLU 7 3.985 -3.468 0.787 38 HA GLU 7 HA GLU 7 2.755 -6.112 1.298 39 HB2 GLU 7 1HB GLU 7 2.351 -3.501 2.755 40 HB3 GLU 7 2HB GLU 7 1.498 -5.003 3.106 41 HG2 GLU 7 1HG GLU 7 4.511 -4.687 3.191 42 HG3 GLU 7 2HG GLU 7 3.464 -4.603 4.604 43 H VAL 8 H VAL 8 0.464 -6.276 1.001 44 HA VAL 8 HA VAL 8 -0.449 -4.850 -1.335 45 HB VAL 8 HB VAL 8 -1.002 -7.151 -1.269 46 HG11 VAL 8 1HG1 VAL 8 -1.054 -8.095 0.791 47 HG12 VAL 8 2HG1 VAL 8 -2.732 -7.560 0.866 48 HG13 VAL 8 3HG1 VAL 8 -1.458 -6.561 1.563 49 HG21 VAL 8 3HG2 VAL 8 -2.826 -5.396 -1.884 50 HG22 VAL 8 1HG2 VAL 8 -3.576 -5.876 -0.361 51 HG23 VAL 8 2HG2 VAL 8 -3.326 -7.069 -1.637 52 H CYS 9 H CYS 9 -1.919 -3.254 -1.487 53 HA CYS 9 HA CYS 9 -3.249 -2.411 1.017 54 HB2 CYS 9 2HB CYS 9 -2.138 -0.480 0.846 55 HB3 CYS 9 1HB CYS 9 -1.498 -0.930 -0.731 56 H GLY 10 H GLY 10 -5.241 -1.135 0.676 57 HA2 GLY 10 1HA GLY 10 -7.201 -0.589 -0.467 58 HA3 GLY 10 2HA GLY 10 -6.586 -1.440 -1.883 59 H TRP 11 H TRP 11 -5.884 -3.573 0.310 60 HA TRP 11 HA TRP 11 -8.540 -4.677 0.692 61 HB2 TRP 11 2HB TRP 11 -6.352 -6.306 -0.548 62 HB3 TRP 11 1HB TRP 11 -8.050 -6.717 -0.387 63 HD1 TRP 11 1HD TRP 11 -5.673 -5.259 -2.752 64 HE1 TRP 11 1HE TRP 11 -6.905 -4.141 -4.725 65 HE3 TRP 11 3HE TRP 11 -10.344 -5.116 -0.827 66 HZ2 TRP 11 2HZ TRP 11 -9.565 -3.280 -5.379 67 HZ3 TRP 11 3HZ TRP 11 -12.234 -4.135 -2.120 68 HH2 TRP 11 2HH TRP 11 -11.844 -3.216 -4.391 69 H GLY 12 H GLY 12 -5.405 -4.114 1.695 70 HA2 GLY 12 1HA GLY 12 -5.811 -5.697 4.134 71 HA3 GLY 12 2HA GLY 12 -4.331 -5.961 3.216 72 H SER 13 H SER 13 -3.888 -3.287 2.373 73 HA SER 13 HA SER 13 -3.515 -1.844 4.921 74 HB2 SER 13 1HB SER 13 -1.447 -3.108 4.212 75 HB3 SER 13 2HB SER 13 -1.396 -2.071 2.789 76 HG SER 13 HG SER 13 -1.303 -1.281 5.516 77 H LYS 14 H LYS 14 -2.568 0.442 4.371 78 HA LYS 14 HA LYS 14 -3.639 1.525 1.890 79 HB2 LYS 14 1HB LYS 14 -4.646 2.270 4.630 80 HB3 LYS 14 2HB LYS 14 -4.797 3.346 3.246 81 HG2 LYS 14 1HG LYS 14 -5.992 1.558 2.003 82 HG3 LYS 14 2HG LYS 14 -5.884 0.522 3.425 83 HD2 LYS 14 1HD LYS 14 -7.181 2.144 4.733 84 HD3 LYS 14 2HD LYS 14 -7.272 3.214 3.333 85 HE2 LYS 14 1HE LYS 14 -8.468 1.459 2.071 86 HE3 LYS 14 2HE LYS 14 -8.385 0.394 3.474 87 HZ1 LYS 14 3HZ LYS 14 -9.936 1.583 4.590 88 HZ2 LYS 14 1HZ LYS 14 -10.453 1.943 3.015 89 HZ3 LYS 14 2HZ LYS 14 -9.503 3.061 3.873 90 H CYS 15 H CYS 15 -0.969 1.182 2.934 91 HA CYS 15 HA CYS 15 0.994 2.338 3.177 92 HB2 CYS 15 2HB CYS 15 -0.744 4.266 1.675 93 HB3 CYS 15 1HB CYS 15 0.847 4.743 2.206 94 H CYS 16 H CYS 16 1.662 2.837 5.184 95 HA CYS 16 HA CYS 16 0.272 3.889 7.261 96 HB2 CYS 16 2HB CYS 16 3.141 4.665 6.798 97 HB3 CYS 16 1HB CYS 16 2.325 4.374 8.333 98 H HIS 17 H HIS 17 2.224 5.816 4.995 99 HA HIS 17 HA HIS 17 0.492 7.941 4.700 100 HB2 HIS 17 1HB HIS 17 1.837 7.962 7.298 101 HB3 HIS 17 2HB HIS 17 2.120 9.431 6.367 102 HD1 HIS 17 HD1 HIS 17 -0.253 8.013 8.639 103 HD2 HIS 17 HD2 HIS 17 -0.551 10.445 5.266 104 HE1 HIS 17 HE1 HIS 17 -2.533 9.110 8.745 105 H GLY 18 H GLY 18 3.708 6.797 5.056 106 HA2 GLY 18 1HA GLY 18 4.797 8.896 3.300 107 HA3 GLY 18 2HA GLY 18 5.741 7.716 4.204 108 H LEU 19 H LEU 19 3.216 6.080 2.885 109 HA LEU 19 HA LEU 19 4.788 5.272 0.523 110 HB2 LEU 19 1HB LEU 19 2.882 3.699 2.266 111 HB3 LEU 19 2HB LEU 19 3.586 3.084 0.775 112 HG LEU 19 HG LEU 19 5.249 4.117 3.088 113 HD11 LEU 19 1HD1 LEU 19 4.912 2.184 4.182 114 HD12 LEU 19 2HD1 LEU 19 5.445 1.281 2.765 115 HD13 LEU 19 3HD1 LEU 19 3.745 1.691 2.957 116 HD21 LEU 19 3HD2 LEU 19 5.802 2.751 0.465 117 HD22 LEU 19 1HD2 LEU 19 6.866 2.444 1.834 118 HD23 LEU 19 2HD2 LEU 19 6.661 4.085 1.241 119 H ASP 20 H ASP 20 3.590 4.663 -1.354 120 HA ASP 20 HA ASP 20 0.908 5.886 -1.546 121 HB2 ASP 20 1HB ASP 20 1.702 6.132 -4.056 122 HB3 ASP 20 2HB ASP 20 2.121 7.353 -2.855 123 H CYS 21 H CYS 21 -0.635 4.555 -2.233 124 HA CYS 21 HA CYS 21 0.161 2.092 -3.641 125 HB2 CYS 21 2HB CYS 21 -0.444 1.141 -1.655 126 HB3 CYS 21 1HB CYS 21 -1.525 2.465 -1.228 127 HA PRO 22 HA PRO 22 -2.880 3.841 -6.448 128 HB2 PRO 22 2HB PRO 22 -2.637 1.994 -8.433 129 HB3 PRO 22 1HB PRO 22 -1.432 3.268 -8.160 130 HG2 PRO 22 2HG PRO 22 -1.357 0.400 -7.349 131 HG3 PRO 22 1HG PRO 22 -0.066 1.421 -7.991 132 HD2 PRO 22 2HD PRO 22 -0.335 0.816 -5.354 133 HD3 PRO 22 1HD PRO 22 0.430 2.306 -5.945 134 H LEU 23 H LEU 23 -5.026 3.404 -7.030 135 HA LEU 23 HA LEU 23 -6.259 1.221 -5.549 136 HB2 LEU 23 1HB LEU 23 -7.321 3.590 -7.093 137 HB3 LEU 23 2HB LEU 23 -8.391 2.318 -6.511 138 HG LEU 23 HG LEU 23 -8.249 4.220 -4.911 139 HD11 LEU 23 1HD1 LEU 23 -6.779 2.108 -3.442 140 HD12 LEU 23 2HD1 LEU 23 -8.218 1.566 -4.306 141 HD13 LEU 23 3HD1 LEU 23 -8.348 2.838 -3.094 142 HD21 LEU 23 3HD2 LEU 23 -5.404 3.401 -4.365 143 HD22 LEU 23 1HD2 LEU 23 -6.229 4.896 -3.923 144 HD23 LEU 23 2HD2 LEU 23 -5.766 4.608 -5.599 145 H ALA 24 H ALA 24 -5.347 -0.477 -6.799 146 HA ALA 24 HA ALA 24 -6.704 -0.928 -9.389 147 HB1 ALA 24 3HB ALA 24 -4.746 -1.869 -10.285 148 HB2 ALA 24 1HB ALA 24 -4.011 -2.062 -8.688 149 HB3 ALA 24 2HB ALA 24 -4.158 -0.451 -9.411 150 H PHE 25 H PHE 25 -5.165 -3.454 -9.450 151 HA PHE 25 HA PHE 25 -6.887 -5.046 -7.665 152 HB2 PHE 25 2HB PHE 25 -7.202 -5.536 -10.047 153 HB3 PHE 25 1HB PHE 25 -5.478 -5.857 -10.208 154 HD1 PHE 25 1HD PHE 25 -8.565 -6.955 -8.444 155 HD2 PHE 25 2HD PHE 25 -4.562 -7.967 -9.625 156 HE1 PHE 25 1HE PHE 25 -8.928 -9.284 -7.678 157 HE2 PHE 25 2HE PHE 25 -4.925 -10.298 -8.859 158 HZ PHE 25 HZ PHE 25 -7.107 -10.956 -7.883 159 H ILE 26 H ILE 26 -5.871 -5.589 -5.983 160 HA ILE 26 HA ILE 26 -4.265 -6.197 -4.476 161 HB ILE 26 HB ILE 26 -3.193 -7.605 -6.936 162 HG12 ILE 26 1HG1 ILE 26 -5.468 -8.287 -6.280 163 HG13 ILE 26 2HG1 ILE 26 -4.315 -9.576 -5.955 164 HG21 ILE 26 1HG2 ILE 26 -2.196 -7.398 -4.186 165 HG22 ILE 26 2HG2 ILE 26 -1.365 -7.950 -5.643 166 HG23 ILE 26 3HG2 ILE 26 -2.398 -9.058 -4.739 167 HD11 ILE 26 3HD1 ILE 26 -5.384 -9.587 -3.920 168 HD12 ILE 26 1HD1 ILE 26 -5.869 -7.899 -4.049 169 HD13 ILE 26 2HD1 ILE 26 -4.226 -8.308 -3.558 170 HA PRO 27 HA PRO 27 -1.350 -2.981 -6.327 171 HB2 PRO 27 2HB PRO 27 -2.215 -0.866 -4.816 172 HB3 PRO 27 1HB PRO 27 -2.798 -1.213 -6.451 173 HG2 PRO 27 2HG PRO 27 -4.080 -1.737 -3.838 174 HG3 PRO 27 1HG PRO 27 -4.806 -1.292 -5.382 175 HD2 PRO 27 2HD PRO 27 -4.853 -3.840 -4.405 176 HD3 PRO 27 1HD PRO 27 -4.912 -3.426 -6.125 177 H TYR 28 H TYR 28 0.465 -2.191 -5.188 178 HA TYR 28 HA TYR 28 0.674 -3.115 -2.390 179 HB2 TYR 28 2HB TYR 28 2.434 -3.418 -4.751 180 HB3 TYR 28 1HB TYR 28 3.233 -3.088 -3.218 181 HD1 TYR 28 1HD TYR 28 0.233 -5.197 -4.260 182 HD2 TYR 28 2HD TYR 28 4.020 -5.016 -2.193 183 HE1 TYR 28 1HE TYR 28 0.020 -7.571 -3.612 184 HE2 TYR 28 2HE TYR 28 3.771 -7.392 -1.554 185 HH TYR 28 HH TYR 28 1.735 -9.007 -1.228 186 H CYS 29 H CYS 29 1.885 -1.863 -0.928 187 HA CYS 29 HA CYS 29 1.862 0.981 -1.489 188 HB2 CYS 29 2HB CYS 29 2.108 -0.749 0.897 189 HB3 CYS 29 1HB CYS 29 2.939 0.802 0.974 190 H GLU 30 H GLU 30 3.511 2.022 -2.327 191 HA GLU 30 HA GLU 30 6.253 1.151 -1.638 192 HB2 GLU 30 1HB GLU 30 6.971 1.537 -3.942 193 HB3 GLU 30 2HB GLU 30 5.694 0.319 -3.905 194 HG2 GLU 30 1HG GLU 30 4.040 2.178 -4.343 195 HG3 GLU 30 2HG GLU 30 5.413 3.247 -4.620 196 H LYS 31 H LYS 31 7.784 2.808 -1.538 197 HA LYS 31 HA LYS 31 6.858 5.339 -0.693 198 HB2 LYS 31 1HB LYS 31 9.290 5.984 -0.871 199 HB3 LYS 31 2HB LYS 31 8.988 4.533 0.085 200 HG2 LYS 31 1HG LYS 31 9.526 3.127 -1.869 201 HG3 LYS 31 2HG LYS 31 9.827 4.574 -2.830 202 HD2 LYS 31 1HD LYS 31 11.702 5.191 -1.454 203 HD3 LYS 31 2HD LYS 31 11.316 3.942 -0.271 204 HE2 LYS 31 1HE LYS 31 13.166 3.212 -1.725 205 HE3 LYS 31 2HE LYS 31 11.743 2.202 -1.975 206 HZ1 LYS 31 3HZ LYS 31 13.121 3.749 -3.856 207 HZ2 LYS 31 1HZ LYS 31 11.565 4.400 -3.688 208 HZ3 LYS 31 2HZ LYS 31 11.758 2.763 -4.096 209 H TYR 32 H TYR 32 6.687 7.277 -1.691 210 HA TYR 32 HA TYR 32 6.108 7.359 -4.433 211 HB2 TYR 32 2HB TYR 32 5.222 8.962 -2.751 212 HB3 TYR 32 1HB TYR 32 6.827 9.685 -2.647 213 HD1 TYR 32 1HD TYR 32 3.988 8.984 -4.926 214 HD2 TYR 32 2HD TYR 32 7.631 11.181 -4.337 215 HE1 TYR 32 1HE TYR 32 3.487 10.354 -6.937 216 HE2 TYR 32 2HE TYR 32 7.132 12.550 -6.344 217 HH TYR 32 HH TYR 32 5.203 11.770 -8.664 218 H ARG 33 H ARG 33 8.941 8.476 -2.653 219 HA ARG 33 HA ARG 33 10.919 9.409 -3.430 220 HB2 ARG 33 1HB ARG 33 10.930 6.766 -3.441 221 HB3 ARG 33 2HB ARG 33 11.093 6.994 -5.181 222 HG2 ARG 33 1HG ARG 33 13.081 8.362 -4.868 223 HG3 ARG 33 2HG ARG 33 12.887 8.303 -3.114 224 HD2 ARG 33 1HD ARG 33 14.528 6.656 -3.634 225 HD3 ARG 33 2HD ARG 33 13.035 5.779 -3.303 226 HE ARG 33 HE ARG 33 13.142 6.289 -6.063 227 HH11 ARG 33 1HH1 ARG 33 13.842 4.652 -7.474 228 HH12 ARG 33 2HH1 ARG 33 14.808 3.348 -6.868 229 HH21 ARG 33 2HH2 ARG 33 15.370 3.281 -4.679 230 HH22 ARG 33 1HH2 ARG 33 14.834 4.532 -3.609 Start of MODEL 17 1 HA ASN 1 HA ASN 1 -0.400 -0.801 13.178 2 HB2 ASN 1 1HB ASN 1 -1.315 -3.176 13.656 3 HB3 ASN 1 2HB ASN 1 -1.498 -3.306 11.909 4 HD21 ASN 1 1HD2 ASN 1 1.853 -4.424 11.836 5 HD22 ASN 1 2HD2 ASN 1 0.227 -4.804 11.533 6 H CYS 2 H CYS 2 0.880 -1.085 11.140 7 HA CYS 2 HA CYS 2 -0.658 -0.386 8.723 8 HB2 CYS 2 2HB CYS 2 0.237 1.698 9.632 9 HB3 CYS 2 1HB CYS 2 1.854 0.999 9.683 10 H ALA 3 H ALA 3 0.792 -0.495 6.742 11 HA ALA 3 HA ALA 3 2.261 -3.039 6.839 12 HB1 ALA 3 3HB ALA 3 2.165 -1.936 4.208 13 HB2 ALA 3 1HB ALA 3 0.562 -1.780 4.929 14 HB3 ALA 3 2HB ALA 3 1.327 -3.366 4.824 15 H LYS 4 H LYS 4 3.970 -2.918 4.860 16 HA LYS 4 HA LYS 4 5.612 -0.525 5.083 17 HB2 LYS 4 1HB LYS 4 7.633 -1.789 5.632 18 HB3 LYS 4 2HB LYS 4 6.423 -1.985 6.902 19 HG2 LYS 4 1HG LYS 4 6.662 -4.211 6.622 20 HG3 LYS 4 2HG LYS 4 5.819 -3.993 5.087 21 HD2 LYS 4 1HD LYS 4 7.883 -5.119 4.583 22 HD3 LYS 4 2HD LYS 4 8.051 -3.450 4.044 23 HE2 LYS 4 1HE LYS 4 9.892 -3.275 5.318 24 HE3 LYS 4 2HE LYS 4 8.867 -3.458 6.742 25 HZ1 LYS 4 3HZ LYS 4 10.126 -5.273 7.061 26 HZ2 LYS 4 1HZ LYS 4 10.585 -5.390 5.432 27 HZ3 LYS 4 2HZ LYS 4 9.075 -5.987 5.932 28 H GLU 5 H GLU 5 7.172 -0.376 3.418 29 HA GLU 5 HA GLU 5 6.376 -0.923 0.897 30 HB2 GLU 5 1HB GLU 5 8.304 0.517 1.519 31 HB3 GLU 5 2HB GLU 5 9.255 -0.933 1.846 32 HG2 GLU 5 1HG GLU 5 8.953 -1.662 -0.478 33 HG3 GLU 5 2HG GLU 5 7.991 -0.224 -0.809 34 H GLY 6 H GLY 6 5.752 -2.801 0.080 35 HA2 GLY 6 1HA GLY 6 6.677 -4.856 -0.974 36 HA3 GLY 6 2HA GLY 6 7.417 -5.201 0.586 37 H GLU 7 H GLU 7 4.421 -3.750 1.030 38 HA GLU 7 HA GLU 7 3.110 -6.388 1.367 39 HB2 GLU 7 1HB GLU 7 2.740 -3.863 2.985 40 HB3 GLU 7 2HB GLU 7 1.822 -5.355 3.197 41 HG2 GLU 7 1HG GLU 7 4.841 -5.220 3.358 42 HG3 GLU 7 2HG GLU 7 3.786 -5.107 4.765 43 H VAL 8 H VAL 8 0.898 -6.550 0.901 44 HA VAL 8 HA VAL 8 0.026 -5.093 -1.371 45 HB VAL 8 HB VAL 8 -0.699 -7.394 -0.940 46 HG11 VAL 8 1HG1 VAL 8 -2.499 -6.323 1.229 47 HG12 VAL 8 2HG1 VAL 8 -0.874 -6.894 1.607 48 HG13 VAL 8 3HG1 VAL 8 -2.053 -7.996 0.895 49 HG21 VAL 8 3HG2 VAL 8 -2.144 -5.526 -2.124 50 HG22 VAL 8 1HG2 VAL 8 -3.193 -5.733 -0.723 51 HG23 VAL 8 2HG2 VAL 8 -2.857 -7.102 -1.783 52 H CYS 9 H CYS 9 -1.748 -3.668 -1.593 53 HA CYS 9 HA CYS 9 -2.923 -2.482 0.794 54 HB2 CYS 9 2HB CYS 9 -0.914 -1.206 0.725 55 HB3 CYS 9 1HB CYS 9 -1.030 -1.009 -1.011 56 H GLY 10 H GLY 10 -4.544 -0.849 0.281 57 HA2 GLY 10 1HA GLY 10 -6.026 0.232 -1.252 58 HA3 GLY 10 2HA GLY 10 -5.555 -0.934 -2.485 59 H TRP 11 H TRP 11 -5.775 -3.030 -0.258 60 HA TRP 11 HA TRP 11 -8.676 -3.151 0.004 61 HB2 TRP 11 2HB TRP 11 -7.077 -5.487 -0.997 62 HB3 TRP 11 1HB TRP 11 -8.824 -5.330 -0.906 63 HD1 TRP 11 1HD TRP 11 -6.045 -4.904 -3.214 64 HE1 TRP 11 1HE TRP 11 -6.773 -3.606 -5.325 65 HE3 TRP 11 3HE TRP 11 -10.460 -3.105 -1.568 66 HZ2 TRP 11 2HZ TRP 11 -8.989 -1.984 -6.179 67 HZ3 TRP 11 3HZ TRP 11 -11.889 -1.675 -3.020 68 HH2 TRP 11 2HH TRP 11 -11.152 -1.111 -5.322 69 H GLY 12 H GLY 12 -5.589 -3.556 1.192 70 HA2 GLY 12 1HA GLY 12 -6.604 -4.932 3.597 71 HA3 GLY 12 2HA GLY 12 -5.079 -5.420 2.864 72 H SER 13 H SER 13 -4.126 -2.816 2.148 73 HA SER 13 HA SER 13 -3.780 -1.592 4.817 74 HB2 SER 13 1HB SER 13 -1.704 -2.132 2.711 75 HB3 SER 13 2HB SER 13 -1.459 -1.012 4.032 76 HG SER 13 HG SER 13 -2.404 -3.135 5.157 77 H LYS 14 H LYS 14 -3.086 0.641 4.777 78 HA LYS 14 HA LYS 14 -4.022 2.085 2.387 79 HB2 LYS 14 1HB LYS 14 -4.541 2.728 5.296 80 HB3 LYS 14 2HB LYS 14 -4.883 3.824 3.959 81 HG2 LYS 14 1HG LYS 14 -6.368 2.119 2.949 82 HG3 LYS 14 2HG LYS 14 -6.042 1.044 4.309 83 HD2 LYS 14 1HD LYS 14 -6.986 2.713 5.862 84 HD3 LYS 14 2HD LYS 14 -7.316 3.788 4.503 85 HE2 LYS 14 1HE LYS 14 -8.802 2.091 3.510 86 HE3 LYS 14 2HE LYS 14 -8.472 1.008 4.863 87 HZ1 LYS 14 3HZ LYS 14 -9.228 3.095 6.226 88 HZ2 LYS 14 1HZ LYS 14 -10.363 2.006 5.594 89 HZ3 LYS 14 2HZ LYS 14 -10.054 3.469 4.790 90 H CYS 15 H CYS 15 -1.294 1.264 3.446 91 HA CYS 15 HA CYS 15 0.807 2.183 3.646 92 HB2 CYS 15 2HB CYS 15 -0.708 4.214 2.041 93 HB3 CYS 15 1HB CYS 15 0.930 4.535 2.542 94 H CYS 16 H CYS 16 1.650 2.750 5.522 95 HA CYS 16 HA CYS 16 0.513 3.993 7.624 96 HB2 CYS 16 2HB CYS 16 3.362 4.606 6.862 97 HB3 CYS 16 1HB CYS 16 2.678 4.449 8.482 98 H HIS 17 H HIS 17 2.556 5.787 5.316 99 HA HIS 17 HA HIS 17 0.823 7.970 4.977 100 HB2 HIS 17 1HB HIS 17 1.993 9.677 6.367 101 HB3 HIS 17 2HB HIS 17 1.156 8.477 7.340 102 HD1 HIS 17 HD1 HIS 17 2.753 6.420 8.194 103 HD2 HIS 17 HD2 HIS 17 4.694 9.891 6.941 104 HE1 HIS 17 HE1 HIS 17 5.098 6.314 9.147 105 H GLY 18 H GLY 18 3.999 6.707 5.173 106 HA2 GLY 18 1HA GLY 18 5.092 8.684 3.297 107 HA3 GLY 18 2HA GLY 18 6.006 7.435 4.135 108 H LEU 19 H LEU 19 3.278 6.008 2.991 109 HA LEU 19 HA LEU 19 4.567 5.180 0.467 110 HB2 LEU 19 1HB LEU 19 2.981 3.550 2.453 111 HB3 LEU 19 2HB LEU 19 3.477 2.965 0.875 112 HG LEU 19 HG LEU 19 5.409 4.019 2.960 113 HD11 LEU 19 1HD1 LEU 19 5.777 1.857 3.733 114 HD12 LEU 19 2HD1 LEU 19 5.154 1.112 2.263 115 HD13 LEU 19 3HD1 LEU 19 4.039 1.804 3.444 116 HD21 LEU 19 3HD2 LEU 19 6.901 2.447 1.411 117 HD22 LEU 19 1HD2 LEU 19 6.585 4.120 0.961 118 HD23 LEU 19 2HD2 LEU 19 5.658 2.815 0.218 119 H ASP 20 H ASP 20 3.009 4.339 -1.156 120 HA ASP 20 HA ASP 20 0.253 5.292 -0.880 121 HB2 ASP 20 1HB ASP 20 1.769 7.136 -1.873 122 HB3 ASP 20 2HB ASP 20 1.862 6.098 -3.298 123 H CYS 21 H CYS 21 -1.176 4.002 -1.999 124 HA CYS 21 HA CYS 21 -0.043 2.162 -3.979 125 HB2 CYS 21 2HB CYS 21 -1.015 0.269 -3.022 126 HB3 CYS 21 1HB CYS 21 -0.391 1.143 -1.640 127 HA PRO 22 HA PRO 22 -3.657 3.575 -6.212 128 HB2 PRO 22 2HB PRO 22 -3.482 1.851 -8.326 129 HB3 PRO 22 1HB PRO 22 -2.424 3.263 -8.137 130 HG2 PRO 22 2HG PRO 22 -1.869 0.401 -7.551 131 HG3 PRO 22 1HG PRO 22 -0.816 1.627 -8.256 132 HD2 PRO 22 2HD PRO 22 -0.656 0.825 -5.659 133 HD3 PRO 22 1HD PRO 22 -0.173 2.444 -6.219 134 H LEU 23 H LEU 23 -5.647 2.530 -7.269 135 HA LEU 23 HA LEU 23 -6.642 0.475 -5.422 136 HB2 LEU 23 1HB LEU 23 -7.830 2.706 -6.965 137 HB3 LEU 23 2HB LEU 23 -8.835 1.269 -6.792 138 HG LEU 23 HG LEU 23 -8.677 1.357 -4.384 139 HD11 LEU 23 1HD1 LEU 23 -6.558 2.033 -3.725 140 HD12 LEU 23 2HD1 LEU 23 -7.411 3.563 -3.529 141 HD13 LEU 23 3HD1 LEU 23 -6.459 3.270 -4.980 142 HD21 LEU 23 3HD2 LEU 23 -9.015 4.231 -5.235 143 HD22 LEU 23 1HD2 LEU 23 -9.895 3.351 -3.984 144 HD23 LEU 23 2HD2 LEU 23 -10.190 2.994 -5.686 145 H ALA 24 H ALA 24 -4.861 -0.233 -7.573 146 HA ALA 24 HA ALA 24 -6.254 -1.416 -9.754 147 HB1 ALA 24 3HB ALA 24 -4.132 -2.742 -10.009 148 HB2 ALA 24 1HB ALA 24 -3.551 -1.977 -8.529 149 HB3 ALA 24 2HB ALA 24 -3.892 -0.995 -9.955 150 H PHE 25 H PHE 25 -5.407 -3.983 -9.907 151 HA PHE 25 HA PHE 25 -7.339 -5.414 -8.408 152 HB2 PHE 25 2HB PHE 25 -4.974 -6.798 -9.596 153 HB3 PHE 25 1HB PHE 25 -6.679 -7.233 -9.660 154 HD1 PHE 25 1HD PHE 25 -3.984 -5.752 -11.436 155 HD2 PHE 25 2HD PHE 25 -8.253 -5.599 -10.976 156 HE1 PHE 25 1HE PHE 25 -4.179 -4.643 -13.638 157 HE2 PHE 25 2HE PHE 25 -8.448 -4.490 -13.187 158 HZ PHE 25 HZ PHE 25 -6.411 -4.011 -14.519 159 H ILE 26 H ILE 26 -3.782 -5.343 -8.266 160 HA ILE 26 HA ILE 26 -3.929 -6.067 -5.414 161 HB ILE 26 HB ILE 26 -2.163 -7.335 -7.516 162 HG12 ILE 26 1HG1 ILE 26 -4.400 -8.335 -7.240 163 HG13 ILE 26 2HG1 ILE 26 -3.142 -9.430 -6.674 164 HG21 ILE 26 1HG2 ILE 26 -1.527 -8.627 -5.207 165 HG22 ILE 26 2HG2 ILE 26 -1.739 -6.981 -4.614 166 HG23 ILE 26 3HG2 ILE 26 -0.571 -7.316 -5.896 167 HD11 ILE 26 3HD1 ILE 26 -4.496 -9.598 -4.837 168 HD12 ILE 26 1HD1 ILE 26 -5.273 -8.046 -5.138 169 HD13 ILE 26 2HD1 ILE 26 -3.697 -8.105 -4.347 170 HA PRO 27 HA PRO 27 -1.198 -2.388 -6.172 171 HB2 PRO 27 2HB PRO 27 -2.644 -1.222 -3.921 172 HB3 PRO 27 1HB PRO 27 -2.453 -0.614 -5.565 173 HG2 PRO 27 2HG PRO 27 -4.808 -1.513 -4.629 174 HG3 PRO 27 1HG PRO 27 -4.328 -1.657 -6.325 175 HD2 PRO 27 2HD PRO 27 -4.272 -3.745 -4.184 176 HD3 PRO 27 1HD PRO 27 -4.760 -3.884 -5.879 177 H TYR 28 H TYR 28 0.547 -1.736 -4.906 178 HA TYR 28 HA TYR 28 0.834 -3.045 -2.273 179 HB2 TYR 28 2HB TYR 28 2.529 -3.197 -4.680 180 HB3 TYR 28 1HB TYR 28 3.398 -2.882 -3.179 181 HD1 TYR 28 1HD TYR 28 0.488 -5.060 -4.285 182 HD2 TYR 28 2HD TYR 28 4.173 -4.766 -2.067 183 HE1 TYR 28 1HE TYR 28 0.314 -7.444 -3.645 184 HE2 TYR 28 2HE TYR 28 3.974 -7.152 -1.442 185 HH TYR 28 HH TYR 28 1.206 -8.892 -1.665 186 H CYS 29 H CYS 29 1.783 -1.836 -0.665 187 HA CYS 29 HA CYS 29 1.708 0.991 -0.934 188 HB2 CYS 29 2HB CYS 29 2.265 -0.955 1.206 189 HB3 CYS 29 1HB CYS 29 3.068 0.601 1.379 190 H GLU 30 H GLU 30 3.073 1.660 -2.525 191 HA GLU 30 HA GLU 30 5.964 1.241 -2.007 192 HB2 GLU 30 1HB GLU 30 4.499 1.837 -4.582 193 HB3 GLU 30 2HB GLU 30 6.255 1.819 -4.422 194 HG2 GLU 30 1HG GLU 30 6.171 -0.518 -3.656 195 HG3 GLU 30 2HG GLU 30 4.414 -0.507 -3.801 196 H LYS 31 H LYS 31 7.333 2.984 -1.975 197 HA LYS 31 HA LYS 31 6.255 5.474 -1.124 198 HB2 LYS 31 1HB LYS 31 8.685 6.236 -1.412 199 HB3 LYS 31 2HB LYS 31 8.403 4.910 -0.285 200 HG2 LYS 31 1HG LYS 31 9.097 3.275 -1.921 201 HG3 LYS 31 2HG LYS 31 9.171 4.502 -3.187 202 HD2 LYS 31 1HD LYS 31 10.790 5.040 -0.758 203 HD3 LYS 31 2HD LYS 31 11.342 3.711 -1.778 204 HE2 LYS 31 1HE LYS 31 10.694 6.480 -2.824 205 HE3 LYS 31 2HE LYS 31 12.321 5.940 -2.407 206 HZ1 LYS 31 3HZ LYS 31 11.601 3.952 -3.964 207 HZ2 LYS 31 1HZ LYS 31 12.300 5.368 -4.582 208 HZ3 LYS 31 2HZ LYS 31 10.615 5.159 -4.642 209 H TYR 32 H TYR 32 6.643 7.562 -2.159 210 HA TYR 32 HA TYR 32 6.185 7.397 -5.055 211 HB2 TYR 32 2HB TYR 32 5.207 9.084 -2.925 212 HB3 TYR 32 1HB TYR 32 5.933 10.063 -4.200 213 HD1 TYR 32 1HD TYR 32 3.979 6.846 -4.190 214 HD2 TYR 32 2HD TYR 32 4.305 10.874 -5.659 215 HE1 TYR 32 1HE TYR 32 1.978 6.494 -5.612 216 HE2 TYR 32 2HE TYR 32 2.306 10.518 -7.078 217 HH TYR 32 HH TYR 32 1.150 8.457 -8.140 218 H ARG 33 H ARG 33 7.445 8.431 -6.544 219 HA ARG 33 HA ARG 33 10.176 8.670 -6.123 220 HB2 ARG 33 1HB ARG 33 10.214 9.946 -8.250 221 HB3 ARG 33 2HB ARG 33 9.213 8.497 -8.356 222 HG2 ARG 33 1HG ARG 33 7.214 9.949 -7.806 223 HG3 ARG 33 2HG ARG 33 8.269 11.351 -7.985 224 HD2 ARG 33 1HD ARG 33 7.782 9.258 -10.122 225 HD3 ARG 33 2HD ARG 33 7.027 10.847 -10.076 226 HE ARG 33 HE ARG 33 9.799 10.256 -10.766 227 HH11 ARG 33 1HH1 ARG 33 10.950 12.015 -11.616 228 HH12 ARG 33 2HH1 ARG 33 10.285 13.612 -11.514 229 HH21 ARG 33 2HH2 ARG 33 8.277 13.938 -10.536 230 HH22 ARG 33 1HH2 ARG 33 7.400 12.594 -9.885 Start of MODEL 18 1 HA ASN 1 HA ASN 1 -4.116 -2.948 9.541 2 HB2 ASN 1 1HB ASN 1 -6.122 -1.643 10.336 3 HB3 ASN 1 2HB ASN 1 -5.692 -0.384 9.180 4 HD21 ASN 1 1HD2 ASN 1 -8.098 -2.567 7.417 5 HD22 ASN 1 2HD2 ASN 1 -8.138 -1.471 8.712 6 H CYS 2 H CYS 2 -2.511 0.040 9.264 7 HA CYS 2 HA CYS 2 -2.494 0.419 6.470 8 HB2 CYS 2 2HB CYS 2 -0.309 1.642 7.016 9 HB3 CYS 2 1HB CYS 2 -1.770 2.245 7.786 10 H ALA 3 H ALA 3 -0.032 0.470 5.528 11 HA ALA 3 HA ALA 3 1.078 -2.245 5.850 12 HB1 ALA 3 3HB ALA 3 1.564 -1.822 3.270 13 HB2 ALA 3 1HB ALA 3 0.098 -0.862 3.404 14 HB3 ALA 3 2HB ALA 3 0.062 -2.581 3.814 15 H LYS 4 H LYS 4 3.217 -2.365 4.613 16 HA LYS 4 HA LYS 4 4.711 0.158 4.834 17 HB2 LYS 4 1HB LYS 4 6.514 -0.896 5.991 18 HB3 LYS 4 2HB LYS 4 5.037 -1.302 6.861 19 HG2 LYS 4 1HG LYS 4 5.754 -3.447 6.682 20 HG3 LYS 4 2HG LYS 4 5.140 -3.326 5.038 21 HD2 LYS 4 1HD LYS 4 7.294 -4.072 4.616 22 HD3 LYS 4 2HD LYS 4 7.556 -2.330 4.552 23 HE2 LYS 4 1HE LYS 4 8.238 -4.265 6.755 24 HE3 LYS 4 2HE LYS 4 9.262 -3.045 5.996 25 HZ1 LYS 4 3HZ LYS 4 8.293 -2.594 8.321 26 HZ2 LYS 4 1HZ LYS 4 6.856 -2.242 7.491 27 HZ3 LYS 4 2HZ LYS 4 8.264 -1.348 7.165 28 H GLU 5 H GLU 5 6.488 0.332 3.452 29 HA GLU 5 HA GLU 5 6.299 -0.451 0.891 30 HB2 GLU 5 1HB GLU 5 7.997 1.134 1.785 31 HB3 GLU 5 2HB GLU 5 8.919 -0.241 2.398 32 HG2 GLU 5 1HG GLU 5 9.124 -1.131 0.121 33 HG3 GLU 5 2HG GLU 5 8.181 0.218 -0.501 34 H GLY 6 H GLY 6 5.853 -2.424 0.186 35 HA2 GLY 6 1HA GLY 6 6.997 -4.483 -0.571 36 HA3 GLY 6 2HA GLY 6 7.581 -4.661 1.078 37 H GLU 7 H GLU 7 4.478 -3.447 1.209 38 HA GLU 7 HA GLU 7 3.298 -6.156 1.401 39 HB2 GLU 7 1HB GLU 7 2.822 -3.772 3.188 40 HB3 GLU 7 2HB GLU 7 1.881 -5.263 3.240 41 HG2 GLU 7 1HG GLU 7 4.892 -5.165 3.561 42 HG3 GLU 7 2HG GLU 7 3.761 -5.162 4.910 43 H VAL 8 H VAL 8 1.139 -6.394 0.809 44 HA VAL 8 HA VAL 8 0.265 -4.755 -1.340 45 HB VAL 8 HB VAL 8 -0.374 -7.041 -1.390 46 HG11 VAL 8 1HG1 VAL 8 -1.896 -7.934 0.460 47 HG12 VAL 8 2HG1 VAL 8 -1.458 -6.497 1.383 48 HG13 VAL 8 3HG1 VAL 8 -0.216 -7.658 0.917 49 HG21 VAL 8 3HG2 VAL 8 -2.910 -5.666 -0.497 50 HG22 VAL 8 1HG2 VAL 8 -2.703 -6.858 -1.779 51 HG23 VAL 8 2HG2 VAL 8 -2.109 -5.212 -2.001 52 H CYS 9 H CYS 9 -1.488 -3.357 -1.492 53 HA CYS 9 HA CYS 9 -2.972 -2.618 0.908 54 HB2 CYS 9 2HB CYS 9 -1.199 -1.170 1.367 55 HB3 CYS 9 1HB CYS 9 -0.889 -0.877 -0.324 56 H GLY 10 H GLY 10 -4.626 -0.931 0.417 57 HA2 GLY 10 1HA GLY 10 -5.893 0.310 -1.223 58 HA3 GLY 10 2HA GLY 10 -5.345 -0.829 -2.447 59 H TRP 11 H TRP 11 -5.834 -2.990 -0.310 60 HA TRP 11 HA TRP 11 -8.755 -3.020 -0.401 61 HB2 TRP 11 2HB TRP 11 -7.094 -5.404 -1.136 62 HB3 TRP 11 1HB TRP 11 -8.833 -5.213 -1.271 63 HD1 TRP 11 1HD TRP 11 -5.775 -4.884 -3.218 64 HE1 TRP 11 1HE TRP 11 -6.224 -3.641 -5.440 65 HE3 TRP 11 3HE TRP 11 -10.329 -2.957 -2.166 66 HZ2 TRP 11 2HZ TRP 11 -8.297 -2.021 -6.600 67 HZ3 TRP 11 3HZ TRP 11 -11.549 -1.556 -3.829 68 HH2 TRP 11 2HH TRP 11 -10.528 -1.085 -6.040 69 H GLY 12 H GLY 12 -5.999 -3.238 1.348 70 HA2 GLY 12 1HA GLY 12 -7.402 -4.492 3.587 71 HA3 GLY 12 2HA GLY 12 -5.883 -5.227 3.084 72 H SER 13 H SER 13 -4.661 -2.640 2.323 73 HA SER 13 HA SER 13 -4.383 -1.417 4.998 74 HB2 SER 13 1HB SER 13 -2.211 -2.294 3.106 75 HB3 SER 13 2HB SER 13 -1.944 -1.169 4.429 76 HG SER 13 HG SER 13 -2.152 -2.759 5.822 77 H LYS 14 H LYS 14 -3.145 0.711 4.817 78 HA LYS 14 HA LYS 14 -3.747 2.117 2.317 79 HB2 LYS 14 1HB LYS 14 -4.686 2.858 5.079 80 HB3 LYS 14 2HB LYS 14 -4.572 4.039 3.778 81 HG2 LYS 14 1HG LYS 14 -6.021 2.534 2.372 82 HG3 LYS 14 2HG LYS 14 -6.249 1.516 3.794 83 HD2 LYS 14 1HD LYS 14 -6.891 4.473 3.767 84 HD3 LYS 14 2HD LYS 14 -8.078 3.233 3.373 85 HE2 LYS 14 1HE LYS 14 -7.574 2.175 5.622 86 HE3 LYS 14 2HE LYS 14 -6.623 3.610 6.004 87 HZ1 LYS 14 3HZ LYS 14 -9.066 4.463 4.977 88 HZ2 LYS 14 1HZ LYS 14 -8.475 4.645 6.556 89 HZ3 LYS 14 2HZ LYS 14 -9.403 3.280 6.149 90 H CYS 15 H CYS 15 -1.255 1.173 3.370 91 HA CYS 15 HA CYS 15 0.891 1.904 3.730 92 HB2 CYS 15 2HB CYS 15 -0.338 4.432 2.637 93 HB3 CYS 15 1HB CYS 15 1.371 4.209 2.902 94 H CYS 16 H CYS 16 2.006 2.430 5.465 95 HA CYS 16 HA CYS 16 0.722 4.112 7.522 96 HB2 CYS 16 2HB CYS 16 1.915 1.569 7.656 97 HB3 CYS 16 1HB CYS 16 3.055 2.671 8.419 98 H HIS 17 H HIS 17 3.672 3.659 5.638 99 HA HIS 17 HA HIS 17 5.031 5.779 7.095 100 HB2 HIS 17 1HB HIS 17 5.880 3.913 4.905 101 HB3 HIS 17 2HB HIS 17 6.873 5.271 5.421 102 HD1 HIS 17 HD1 HIS 17 5.283 2.111 6.805 103 HD2 HIS 17 HD2 HIS 17 8.275 4.836 7.804 104 HE1 HIS 17 HE1 HIS 17 6.495 1.141 8.808 105 H GLY 18 H GLY 18 2.686 6.011 5.168 106 HA2 GLY 18 1HA GLY 18 1.940 7.990 4.115 107 HA3 GLY 18 2HA GLY 18 3.620 8.491 3.922 108 H LEU 19 H LEU 19 3.697 5.389 3.147 109 HA LEU 19 HA LEU 19 4.205 5.667 0.436 110 HB2 LEU 19 1HB LEU 19 3.037 3.237 1.815 111 HB3 LEU 19 2HB LEU 19 3.896 3.243 0.297 112 HG LEU 19 HG LEU 19 5.221 4.382 2.731 113 HD11 LEU 19 1HD1 LEU 19 5.124 1.442 1.980 114 HD12 LEU 19 2HD1 LEU 19 4.308 2.140 3.382 115 HD13 LEU 19 3HD1 LEU 19 6.070 2.145 3.289 116 HD21 LEU 19 3HD2 LEU 19 6.195 2.819 0.318 117 HD22 LEU 19 1HD2 LEU 19 7.216 3.574 1.546 118 HD23 LEU 19 2HD2 LEU 19 6.242 4.576 0.472 119 H ASP 20 H ASP 20 2.915 4.847 -1.401 120 HA ASP 20 HA ASP 20 0.018 5.388 -1.083 121 HB2 ASP 20 1HB ASP 20 1.486 7.142 -2.325 122 HB3 ASP 20 2HB ASP 20 1.523 5.947 -3.619 123 H CYS 21 H CYS 21 -1.381 4.014 -2.095 124 HA CYS 21 HA CYS 21 -0.244 1.931 -3.832 125 HB2 CYS 21 2HB CYS 21 -2.131 0.506 -2.495 126 HB3 CYS 21 1HB CYS 21 -0.424 0.541 -2.058 127 HA PRO 22 HA PRO 22 -3.892 3.363 -6.089 128 HB2 PRO 22 2HB PRO 22 -3.428 1.985 -8.390 129 HB3 PRO 22 1HB PRO 22 -2.534 3.456 -7.959 130 HG2 PRO 22 2HG PRO 22 -1.704 0.608 -7.723 131 HG3 PRO 22 1HG PRO 22 -0.759 2.021 -8.203 132 HD2 PRO 22 2HD PRO 22 -0.649 0.880 -5.733 133 HD3 PRO 22 1HD PRO 22 -0.271 2.587 -6.050 134 H LEU 23 H LEU 23 -5.781 2.348 -7.164 135 HA LEU 23 HA LEU 23 -6.536 -0.089 -5.739 136 HB2 LEU 23 1HB LEU 23 -7.957 2.124 -7.133 137 HB3 LEU 23 2HB LEU 23 -8.748 0.550 -7.102 138 HG LEU 23 HG LEU 23 -8.714 0.485 -4.697 139 HD11 LEU 23 1HD1 LEU 23 -7.779 2.709 -3.582 140 HD12 LEU 23 2HD1 LEU 23 -6.767 2.744 -5.025 141 HD13 LEU 23 3HD1 LEU 23 -6.694 1.362 -3.929 142 HD21 LEU 23 3HD2 LEU 23 -10.141 2.333 -4.196 143 HD22 LEU 23 1HD2 LEU 23 -10.386 1.986 -5.908 144 HD23 LEU 23 2HD2 LEU 23 -9.369 3.343 -5.422 145 H ALA 24 H ALA 24 -5.618 -1.788 -6.729 146 HA ALA 24 HA ALA 24 -6.471 -2.395 -9.472 147 HB1 ALA 24 3HB ALA 24 -4.374 -2.514 -10.344 148 HB2 ALA 24 1HB ALA 24 -3.690 -3.167 -8.853 149 HB3 ALA 24 2HB ALA 24 -3.955 -1.431 -9.014 150 H PHE 25 H PHE 25 -5.179 -4.754 -9.854 151 HA PHE 25 HA PHE 25 -6.692 -6.591 -8.363 152 HB2 PHE 25 2HB PHE 25 -5.813 -7.145 -10.558 153 HB3 PHE 25 1HB PHE 25 -4.158 -7.001 -9.964 154 HD1 PHE 25 1HD PHE 25 -7.336 -8.906 -9.479 155 HD2 PHE 25 2HD PHE 25 -3.080 -8.809 -8.916 156 HE1 PHE 25 1HE PHE 25 -7.382 -11.267 -8.722 157 HE2 PHE 25 2HE PHE 25 -3.124 -11.167 -8.159 158 HZ PHE 25 HZ PHE 25 -5.277 -12.399 -8.063 159 H ILE 26 H ILE 26 -3.210 -5.795 -8.108 160 HA ILE 26 HA ILE 26 -3.316 -6.492 -5.270 161 HB ILE 26 HB ILE 26 -2.602 -8.554 -6.493 162 HG12 ILE 26 1HG1 ILE 26 -0.291 -8.641 -5.188 163 HG13 ILE 26 2HG1 ILE 26 -0.889 -7.133 -4.497 164 HG21 ILE 26 1HG2 ILE 26 -1.165 -6.820 -8.068 165 HG22 ILE 26 2HG2 ILE 26 -0.929 -8.565 -8.014 166 HG23 ILE 26 3HG2 ILE 26 0.088 -7.511 -7.032 167 HD11 ILE 26 3HD1 ILE 26 -3.111 -8.534 -4.183 168 HD12 ILE 26 1HD1 ILE 26 -1.798 -8.648 -3.013 169 HD13 ILE 26 2HD1 ILE 26 -1.997 -9.898 -4.241 170 HA PRO 27 HA PRO 27 -0.828 -2.696 -6.320 171 HB2 PRO 27 2HB PRO 27 -2.415 -1.492 -4.165 172 HB3 PRO 27 1HB PRO 27 -2.167 -0.942 -5.829 173 HG2 PRO 27 2HG PRO 27 -4.525 -1.920 -5.011 174 HG3 PRO 27 1HG PRO 27 -3.898 -2.183 -6.649 175 HD2 PRO 27 2HD PRO 27 -3.876 -4.066 -4.310 176 HD3 PRO 27 1HD PRO 27 -4.276 -4.391 -6.013 177 H TYR 28 H TYR 28 0.747 -1.644 -4.994 178 HA TYR 28 HA TYR 28 1.191 -2.888 -2.357 179 HB2 TYR 28 2HB TYR 28 2.991 -2.702 -4.707 180 HB3 TYR 28 1HB TYR 28 3.716 -2.408 -3.126 181 HD1 TYR 28 1HD TYR 28 1.324 -4.818 -4.785 182 HD2 TYR 28 2HD TYR 28 4.474 -4.239 -1.902 183 HE1 TYR 28 1HE TYR 28 1.377 -7.250 -4.332 184 HE2 TYR 28 2HE TYR 28 4.505 -6.674 -1.455 185 HH TYR 28 HH TYR 28 3.824 -8.696 -2.251 186 H CYS 29 H CYS 29 2.144 -1.610 -0.785 187 HA CYS 29 HA CYS 29 1.616 1.210 -1.016 188 HB2 CYS 29 2HB CYS 29 2.290 -0.718 1.107 189 HB3 CYS 29 1HB CYS 29 2.948 0.893 1.354 190 H GLU 30 H GLU 30 3.091 1.711 -2.744 191 HA GLU 30 HA GLU 30 5.946 1.643 -2.016 192 HB2 GLU 30 1HB GLU 30 4.552 2.086 -4.661 193 HB3 GLU 30 2HB GLU 30 6.289 2.273 -4.429 194 HG2 GLU 30 1HG GLU 30 6.500 -0.043 -3.733 195 HG3 GLU 30 2HG GLU 30 4.752 -0.257 -3.779 196 H LYS 31 H LYS 31 7.236 3.513 -2.264 197 HA LYS 31 HA LYS 31 5.867 5.935 -1.462 198 HB2 LYS 31 1HB LYS 31 8.565 6.543 -1.828 199 HB3 LYS 31 2HB LYS 31 7.768 6.152 -0.307 200 HG2 LYS 31 1HG LYS 31 9.682 4.697 -0.590 201 HG3 LYS 31 2HG LYS 31 8.224 3.727 -0.741 202 HD2 LYS 31 1HD LYS 31 8.838 3.090 -2.817 203 HD3 LYS 31 2HD LYS 31 8.950 4.775 -3.327 204 HE2 LYS 31 1HE LYS 31 11.117 3.608 -3.588 205 HE3 LYS 31 2HE LYS 31 11.228 4.912 -2.406 206 HZ1 LYS 31 3HZ LYS 31 10.475 2.272 -1.419 207 HZ2 LYS 31 1HZ LYS 31 11.429 3.471 -0.690 208 HZ3 LYS 31 2HZ LYS 31 12.091 2.482 -1.902 209 H TYR 32 H TYR 32 6.070 7.958 -2.537 210 HA TYR 32 HA TYR 32 6.943 7.841 -5.353 211 HB2 TYR 32 2HB TYR 32 4.307 8.899 -4.322 212 HB3 TYR 32 1HB TYR 32 4.941 9.256 -5.929 213 HD1 TYR 32 1HD TYR 32 3.842 6.508 -3.672 214 HD2 TYR 32 2HD TYR 32 4.879 7.643 -7.683 215 HE1 TYR 32 1HE TYR 32 2.980 4.338 -4.511 216 HE2 TYR 32 2HE TYR 32 4.018 5.474 -8.521 217 HH TYR 32 HH TYR 32 2.577 3.711 -7.903 218 H ARG 33 H ARG 33 7.720 9.774 -6.218 219 HA ARG 33 HA ARG 33 8.521 11.749 -4.200 220 HB2 ARG 33 1HB ARG 33 10.034 12.561 -6.058 221 HB3 ARG 33 2HB ARG 33 10.357 10.923 -5.495 222 HG2 ARG 33 1HG ARG 33 9.140 9.979 -7.375 223 HG3 ARG 33 2HG ARG 33 8.642 11.587 -7.904 224 HD2 ARG 33 1HD ARG 33 11.525 10.677 -7.695 225 HD3 ARG 33 2HD ARG 33 10.594 10.687 -9.190 226 HE ARG 33 HE ARG 33 10.409 13.254 -8.125 227 HH11 ARG 33 1HH1 ARG 33 11.800 14.898 -8.847 228 HH12 ARG 33 2HH1 ARG 33 13.318 14.485 -9.572 229 HH21 ARG 33 2HH2 ARG 33 13.907 12.314 -9.800 230 HH22 ARG 33 1HH2 ARG 33 12.842 11.065 -9.248 Start of MODEL 19 1 HA ASN 1 HA ASN 1 0.363 -1.914 12.884 2 HB2 ASN 1 1HB ASN 1 -1.651 -0.607 13.466 3 HB3 ASN 1 2HB ASN 1 -0.339 -0.293 14.602 4 HD21 ASN 1 1HD2 ASN 1 -1.259 3.111 13.946 5 HD22 ASN 1 2HD2 ASN 1 -1.510 1.820 15.018 6 H CYS 2 H CYS 2 1.535 0.283 10.735 7 HA CYS 2 HA CYS 2 -0.672 -0.024 8.816 8 HB2 CYS 2 2HB CYS 2 0.958 1.649 7.556 9 HB3 CYS 2 1HB CYS 2 -0.203 2.210 8.759 10 H ALA 3 H ALA 3 0.252 -0.115 6.466 11 HA ALA 3 HA ALA 3 1.641 -2.614 6.251 12 HB1 ALA 3 3HB ALA 3 0.266 -0.759 4.438 13 HB2 ALA 3 1HB ALA 3 0.337 -2.521 4.407 14 HB3 ALA 3 2HB ALA 3 1.659 -1.570 3.719 15 H LYS 4 H LYS 4 3.675 -3.026 5.488 16 HA LYS 4 HA LYS 4 5.520 -0.729 5.488 17 HB2 LYS 4 1HB LYS 4 6.075 -3.674 5.846 18 HB3 LYS 4 2HB LYS 4 7.280 -2.386 5.883 19 HG2 LYS 4 1HG LYS 4 5.952 -1.317 7.745 20 HG3 LYS 4 2HG LYS 4 4.961 -2.775 7.785 21 HD2 LYS 4 1HD LYS 4 6.964 -4.140 8.211 22 HD3 LYS 4 2HD LYS 4 7.957 -2.683 8.161 23 HE2 LYS 4 1HE LYS 4 6.713 -1.762 10.082 24 HE3 LYS 4 2HE LYS 4 5.719 -3.217 10.137 25 HZ1 LYS 4 3HZ LYS 4 8.501 -3.833 10.115 26 HZ2 LYS 4 1HZ LYS 4 7.303 -4.308 11.216 27 HZ3 LYS 4 2HZ LYS 4 8.103 -2.825 11.424 28 H GLU 5 H GLU 5 6.891 -0.395 3.772 29 HA GLU 5 HA GLU 5 6.189 -0.650 1.226 30 HB2 GLU 5 1HB GLU 5 8.257 0.482 2.052 31 HB3 GLU 5 2HB GLU 5 9.035 -1.098 2.154 32 HG2 GLU 5 1HG GLU 5 8.637 -1.445 -0.252 33 HG3 GLU 5 2HG GLU 5 7.872 0.136 -0.354 34 H GLY 6 H GLY 6 5.574 -2.275 -0.016 35 HA2 GLY 6 1HA GLY 6 6.179 -4.287 -1.240 36 HA3 GLY 6 2HA GLY 6 6.948 -4.883 0.230 37 H GLU 7 H GLU 7 4.257 -3.450 1.350 38 HA GLU 7 HA GLU 7 2.813 -5.975 1.508 39 HB2 GLU 7 1HB GLU 7 2.888 -3.440 3.051 40 HB3 GLU 7 2HB GLU 7 1.357 -4.314 3.022 41 HG2 GLU 7 1HG GLU 7 2.907 -4.991 4.898 42 HG3 GLU 7 2HG GLU 7 2.394 -6.309 3.850 43 H VAL 8 H VAL 8 0.598 -6.168 0.970 44 HA VAL 8 HA VAL 8 -0.170 -4.621 -1.347 45 HB VAL 8 HB VAL 8 -1.843 -6.209 -1.685 46 HG11 VAL 8 1HG1 VAL 8 -0.183 -8.078 -0.108 47 HG12 VAL 8 2HG1 VAL 8 0.711 -7.047 -1.223 48 HG13 VAL 8 3HG1 VAL 8 -0.572 -8.093 -1.829 49 HG21 VAL 8 3HG2 VAL 8 -2.437 -7.779 0.322 50 HG22 VAL 8 1HG2 VAL 8 -3.113 -6.149 0.300 51 HG23 VAL 8 2HG2 VAL 8 -1.715 -6.512 1.312 52 H CYS 9 H CYS 9 -1.919 -3.238 -1.552 53 HA CYS 9 HA CYS 9 -3.287 -2.497 0.987 54 HB2 CYS 9 2HB CYS 9 -2.548 -0.391 0.859 55 HB3 CYS 9 1HB CYS 9 -1.496 -0.891 -0.459 56 H GLY 10 H GLY 10 -5.263 -1.104 0.501 57 HA2 GLY 10 1HA GLY 10 -7.218 -0.681 -0.683 58 HA3 GLY 10 2HA GLY 10 -6.543 -1.559 -2.053 59 H TRP 11 H TRP 11 -5.881 -3.628 0.223 60 HA TRP 11 HA TRP 11 -8.533 -4.725 0.553 61 HB2 TRP 11 2HB TRP 11 -6.331 -6.374 -0.636 62 HB3 TRP 11 1HB TRP 11 -8.024 -6.802 -0.453 63 HD1 TRP 11 1HD TRP 11 -5.677 -5.391 -2.887 64 HE1 TRP 11 1HE TRP 11 -6.950 -4.381 -4.892 65 HE3 TRP 11 3HE TRP 11 -10.337 -5.237 -0.914 66 HZ2 TRP 11 2HZ TRP 11 -9.637 -3.601 -5.552 67 HZ3 TRP 11 3HZ TRP 11 -12.261 -4.352 -2.231 68 HH2 TRP 11 2HH TRP 11 -11.906 -3.531 -4.545 69 H GLY 12 H GLY 12 -5.530 -4.035 1.711 70 HA2 GLY 12 1HA GLY 12 -5.960 -5.706 4.085 71 HA3 GLY 12 2HA GLY 12 -4.412 -5.840 3.254 72 H SER 13 H SER 13 -4.343 -3.004 2.491 73 HA SER 13 HA SER 13 -4.331 -1.560 5.017 74 HB2 SER 13 1HB SER 13 -2.116 -2.876 4.750 75 HB3 SER 13 2HB SER 13 -1.751 -1.702 3.486 76 HG SER 13 HG SER 13 -2.612 -0.951 6.076 77 H LYS 14 H LYS 14 -2.900 0.624 4.373 78 HA LYS 14 HA LYS 14 -3.658 1.538 1.716 79 HB2 LYS 14 1HB LYS 14 -4.795 3.583 2.806 80 HB3 LYS 14 2HB LYS 14 -5.701 2.070 2.750 81 HG2 LYS 14 1HG LYS 14 -5.353 1.623 5.028 82 HG3 LYS 14 2HG LYS 14 -3.971 2.715 5.125 83 HD2 LYS 14 1HD LYS 14 -5.899 3.733 6.232 84 HD3 LYS 14 2HD LYS 14 -5.501 4.645 4.777 85 HE2 LYS 14 1HE LYS 14 -7.291 3.555 3.543 86 HE3 LYS 14 2HE LYS 14 -7.633 2.491 4.909 87 HZ1 LYS 14 3HZ LYS 14 -8.793 4.906 4.428 88 HZ2 LYS 14 1HZ LYS 14 -7.648 5.263 5.627 89 HZ3 LYS 14 2HZ LYS 14 -8.821 4.067 5.904 90 H CYS 15 H CYS 15 -1.128 1.130 2.903 91 HA CYS 15 HA CYS 15 0.891 2.175 3.232 92 HB2 CYS 15 2HB CYS 15 -0.653 4.177 1.619 93 HB3 CYS 15 1HB CYS 15 0.940 4.555 2.209 94 H CYS 16 H CYS 16 1.648 2.770 5.118 95 HA CYS 16 HA CYS 16 0.295 3.881 7.207 96 HB2 CYS 16 2HB CYS 16 2.780 3.003 6.949 97 HB3 CYS 16 1HB CYS 16 3.125 4.729 6.837 98 H HIS 17 H HIS 17 2.530 5.790 5.190 99 HA HIS 17 HA HIS 17 0.721 7.924 4.785 100 HB2 HIS 17 1HB HIS 17 1.348 8.010 7.363 101 HB3 HIS 17 2HB HIS 17 2.818 8.761 6.746 102 HD1 HIS 17 HD1 HIS 17 -0.954 9.154 6.297 103 HD2 HIS 17 HD2 HIS 17 2.513 11.467 6.314 104 HE1 HIS 17 HE1 HIS 17 -1.698 11.558 6.020 105 H GLY 18 H GLY 18 3.916 6.706 5.052 106 HA2 GLY 18 1HA GLY 18 5.006 8.765 3.247 107 HA3 GLY 18 2HA GLY 18 5.947 7.565 4.128 108 H LEU 19 H LEU 19 3.313 6.030 2.850 109 HA LEU 19 HA LEU 19 4.816 5.195 0.448 110 HB2 LEU 19 1HB LEU 19 2.986 3.613 2.256 111 HB3 LEU 19 2HB LEU 19 3.654 3.008 0.753 112 HG LEU 19 HG LEU 19 5.337 4.033 3.055 113 HD11 LEU 19 1HD1 LEU 19 5.147 1.139 2.307 114 HD12 LEU 19 2HD1 LEU 19 3.886 1.822 3.333 115 HD13 LEU 19 3HD1 LEU 19 5.568 1.867 3.856 116 HD21 LEU 19 3HD2 LEU 19 6.747 4.125 1.219 117 HD22 LEU 19 1HD2 LEU 19 5.887 2.852 0.351 118 HD23 LEU 19 2HD2 LEU 19 6.971 2.440 1.679 119 H ASP 20 H ASP 20 3.520 4.556 -1.376 120 HA ASP 20 HA ASP 20 0.797 5.708 -1.411 121 HB2 ASP 20 1HB ASP 20 2.508 7.219 -2.501 122 HB3 ASP 20 2HB ASP 20 2.779 5.923 -3.669 123 H CYS 21 H CYS 21 -0.616 4.154 -1.959 124 HA CYS 21 HA CYS 21 0.339 2.019 -3.747 125 HB2 CYS 21 2HB CYS 21 -1.044 0.457 -2.636 126 HB3 CYS 21 1HB CYS 21 -0.197 1.346 -1.387 127 HA PRO 22 HA PRO 22 -2.825 3.816 -6.476 128 HB2 PRO 22 2HB PRO 22 -2.309 1.319 -8.009 129 HB3 PRO 22 1HB PRO 22 -2.236 3.005 -8.549 130 HG2 PRO 22 2HG PRO 22 -0.033 1.549 -8.158 131 HG3 PRO 22 1HG PRO 22 -0.082 3.281 -7.824 132 HD2 PRO 22 2HD PRO 22 -0.069 0.994 -5.916 133 HD3 PRO 22 1HD PRO 22 0.605 2.628 -5.775 134 H LEU 23 H LEU 23 -4.980 3.309 -6.980 135 HA LEU 23 HA LEU 23 -6.138 1.176 -5.365 136 HB2 LEU 23 1HB LEU 23 -7.068 3.698 -6.584 137 HB3 LEU 23 2HB LEU 23 -8.248 2.390 -6.583 138 HG LEU 23 HG LEU 23 -8.111 2.151 -4.197 139 HD11 LEU 23 1HD1 LEU 23 -6.518 4.069 -3.122 140 HD12 LEU 23 2HD1 LEU 23 -5.587 3.676 -4.566 141 HD13 LEU 23 3HD1 LEU 23 -5.974 2.412 -3.394 142 HD21 LEU 23 3HD2 LEU 23 -8.882 4.323 -3.479 143 HD22 LEU 23 1HD2 LEU 23 -9.408 4.091 -5.147 144 HD23 LEU 23 2HD2 LEU 23 -8.011 5.111 -4.797 145 H ALA 24 H ALA 24 -5.691 -0.708 -6.438 146 HA ALA 24 HA ALA 24 -7.083 -1.072 -9.012 147 HB1 ALA 24 3HB ALA 24 -5.263 -2.542 -9.763 148 HB2 ALA 24 1HB ALA 24 -4.372 -2.216 -8.273 149 HB3 ALA 24 2HB ALA 24 -4.657 -0.920 -9.435 150 H PHE 25 H PHE 25 -5.650 -3.866 -8.619 151 HA PHE 25 HA PHE 25 -7.819 -4.988 -6.941 152 HB2 PHE 25 2HB PHE 25 -6.250 -6.750 -8.733 153 HB3 PHE 25 1HB PHE 25 -7.973 -6.740 -8.381 154 HD1 PHE 25 1HD PHE 25 -5.546 -5.984 -10.822 155 HD2 PHE 25 2HD PHE 25 -9.277 -4.575 -9.226 156 HE1 PHE 25 1HE PHE 25 -5.967 -4.733 -12.916 157 HE2 PHE 25 2HE PHE 25 -9.699 -3.324 -11.325 158 HZ PHE 25 HZ PHE 25 -8.045 -3.404 -13.172 159 H ILE 26 H ILE 26 -4.377 -5.205 -7.737 160 HA ILE 26 HA ILE 26 -3.897 -6.316 -5.050 161 HB ILE 26 HB ILE 26 -1.944 -7.603 -6.261 162 HG12 ILE 26 1HG1 ILE 26 -2.660 -8.430 -8.489 163 HG13 ILE 26 2HG1 ILE 26 -4.018 -7.315 -8.466 164 HG21 ILE 26 1HG2 ILE 26 -4.857 -8.352 -6.126 165 HG22 ILE 26 2HG2 ILE 26 -3.552 -8.810 -5.031 166 HG23 ILE 26 3HG2 ILE 26 -3.628 -9.501 -6.652 167 HD11 ILE 26 3HD1 ILE 26 -1.127 -6.426 -8.254 168 HD12 ILE 26 1HD1 ILE 26 -2.547 -5.403 -8.510 169 HD13 ILE 26 2HD1 ILE 26 -2.014 -6.509 -9.774 170 HA PRO 27 HA PRO 27 -1.130 -2.719 -6.383 171 HB2 PRO 27 2HB PRO 27 -2.100 -0.830 -4.681 172 HB3 PRO 27 1HB PRO 27 -2.719 -1.086 -6.322 173 HG2 PRO 27 2HG PRO 27 -3.816 -2.006 -3.726 174 HG3 PRO 27 1HG PRO 27 -4.666 -1.351 -5.130 175 HD2 PRO 27 2HD PRO 27 -4.575 -4.027 -4.608 176 HD3 PRO 27 1HD PRO 27 -4.654 -3.365 -6.256 177 H TYR 28 H TYR 28 0.604 -1.864 -5.168 178 HA TYR 28 HA TYR 28 0.977 -3.012 -2.475 179 HB2 TYR 28 2HB TYR 28 2.788 -2.974 -4.855 180 HB3 TYR 28 1HB TYR 28 3.488 -2.927 -3.238 181 HD1 TYR 28 1HD TYR 28 0.802 -4.776 -5.115 182 HD2 TYR 28 2HD TYR 28 3.955 -4.968 -2.206 183 HE1 TYR 28 1HE TYR 28 0.442 -7.207 -4.887 184 HE2 TYR 28 2HE TYR 28 3.600 -7.406 -1.982 185 HH TYR 28 HH TYR 28 0.855 -8.989 -3.247 186 H CYS 29 H CYS 29 2.253 -1.851 -1.013 187 HA CYS 29 HA CYS 29 2.058 1.024 -1.348 188 HB2 CYS 29 2HB CYS 29 2.493 -0.861 0.902 189 HB3 CYS 29 1HB CYS 29 3.220 0.736 1.058 190 H GLU 30 H GLU 30 3.575 1.987 -2.504 191 HA GLU 30 HA GLU 30 6.402 1.274 -1.912 192 HB2 GLU 30 1HB GLU 30 6.954 1.802 -4.228 193 HB3 GLU 30 2HB GLU 30 5.713 0.547 -4.182 194 HG2 GLU 30 1HG GLU 30 3.985 2.364 -4.424 195 HG3 GLU 30 2HG GLU 30 5.300 3.503 -4.701 196 H LYS 31 H LYS 31 7.848 2.956 -1.721 197 HA LYS 31 HA LYS 31 6.861 5.415 -0.736 198 HB2 LYS 31 1HB LYS 31 9.102 6.002 -0.396 199 HB3 LYS 31 2HB LYS 31 9.152 4.238 -0.334 200 HG2 LYS 31 1HG LYS 31 9.558 4.442 -2.926 201 HG3 LYS 31 2HG LYS 31 10.070 6.081 -2.521 202 HD2 LYS 31 1HD LYS 31 11.185 3.543 -1.286 203 HD3 LYS 31 2HD LYS 31 11.986 4.510 -2.523 204 HE2 LYS 31 1HE LYS 31 11.251 5.435 0.271 205 HE3 LYS 31 2HE LYS 31 12.875 5.097 -0.324 206 HZ1 LYS 31 3HZ LYS 31 12.504 6.832 -2.029 207 HZ2 LYS 31 1HZ LYS 31 12.513 7.430 -0.442 208 HZ3 LYS 31 2HZ LYS 31 11.039 7.228 -1.262 209 H TYR 32 H TYR 32 7.413 7.573 -1.623 210 HA TYR 32 HA TYR 32 6.443 7.839 -4.296 211 HB2 TYR 32 2HB TYR 32 7.659 9.827 -2.366 212 HB3 TYR 32 1HB TYR 32 7.001 10.272 -3.940 213 HD1 TYR 32 1HD TYR 32 6.209 9.087 -0.552 214 HD2 TYR 32 2HD TYR 32 4.599 10.094 -4.405 215 HE1 TYR 32 1HE TYR 32 3.925 9.132 0.414 216 HE2 TYR 32 2HE TYR 32 2.316 10.139 -3.439 217 HH TYR 32 HH TYR 32 1.625 10.456 -0.372 218 H ARG 33 H ARG 33 7.515 8.289 -6.172 219 HA ARG 33 HA ARG 33 10.471 8.362 -6.067 220 HB2 ARG 33 1HB ARG 33 8.727 6.937 -8.092 221 HB3 ARG 33 2HB ARG 33 10.485 7.054 -8.153 222 HG2 ARG 33 1HG ARG 33 10.659 5.869 -6.007 223 HG3 ARG 33 2HG ARG 33 8.900 5.783 -5.902 224 HD2 ARG 33 1HD ARG 33 9.718 3.666 -6.762 225 HD3 ARG 33 2HD ARG 33 8.887 4.515 -8.063 226 HE ARG 33 HE ARG 33 11.674 5.124 -8.081 227 HH11 ARG 33 1HH1 ARG 33 12.936 4.169 -9.711 228 HH12 ARG 33 2HH1 ARG 33 12.337 2.785 -10.564 229 HH21 ARG 33 2HH2 ARG 33 10.306 1.935 -10.055 230 HH22 ARG 33 1HH2 ARG 33 9.347 2.669 -8.812 Start of MODEL 20 1 HA ASN 1 HA ASN 1 0.387 -0.720 12.508 2 HB2 ASN 1 1HB ASN 1 -0.904 -3.445 12.196 3 HB3 ASN 1 2HB ASN 1 0.779 -3.119 11.783 4 HD21 ASN 1 1HD2 ASN 1 0.534 -4.300 15.363 5 HD22 ASN 1 2HD2 ASN 1 -0.017 -4.950 13.894 6 H CYS 2 H CYS 2 0.792 0.334 10.655 7 HA CYS 2 HA CYS 2 -0.914 0.112 8.356 8 HB2 CYS 2 2HB CYS 2 0.535 1.758 7.377 9 HB3 CYS 2 1HB CYS 2 0.202 2.225 9.041 10 H ALA 3 H ALA 3 0.778 0.228 6.220 11 HA ALA 3 HA ALA 3 1.874 -2.510 6.192 12 HB1 ALA 3 3HB ALA 3 1.802 -1.644 3.575 13 HB2 ALA 3 1HB ALA 3 0.357 -0.911 4.281 14 HB3 ALA 3 2HB ALA 3 0.582 -2.657 4.360 15 H LYS 4 H LYS 4 3.943 -2.912 5.507 16 HA LYS 4 HA LYS 4 5.722 -0.571 5.317 17 HB2 LYS 4 1HB LYS 4 6.333 -3.509 5.753 18 HB3 LYS 4 2HB LYS 4 7.529 -2.212 5.719 19 HG2 LYS 4 1HG LYS 4 6.227 -1.100 7.586 20 HG3 LYS 4 2HG LYS 4 5.279 -2.582 7.708 21 HD2 LYS 4 1HD LYS 4 7.360 -3.868 8.082 22 HD3 LYS 4 2HD LYS 4 8.278 -2.365 7.998 23 HE2 LYS 4 1HE LYS 4 6.101 -2.969 10.024 24 HE3 LYS 4 2HE LYS 4 7.834 -3.012 10.350 25 HZ1 LYS 4 3HZ LYS 4 7.996 -0.692 9.837 26 HZ2 LYS 4 1HZ LYS 4 6.777 -0.902 10.998 27 HZ3 LYS 4 2HZ LYS 4 6.364 -0.625 9.373 28 H GLU 5 H GLU 5 7.051 -0.249 3.588 29 HA GLU 5 HA GLU 5 6.270 -0.613 1.070 30 HB2 GLU 5 1HB GLU 5 8.283 0.694 1.758 31 HB3 GLU 5 2HB GLU 5 9.168 -0.822 1.934 32 HG2 GLU 5 1HG GLU 5 8.798 -1.339 -0.424 33 HG3 GLU 5 2HG GLU 5 7.858 0.139 -0.618 34 H GLY 6 H GLY 6 5.829 -2.281 -0.196 35 HA2 GLY 6 1HA GLY 6 6.524 -4.289 -1.351 36 HA3 GLY 6 2HA GLY 6 7.370 -4.785 0.113 37 H GLU 7 H GLU 7 4.605 -3.518 1.253 38 HA GLU 7 HA GLU 7 3.335 -6.161 1.438 39 HB2 GLU 7 1HB GLU 7 3.000 -3.610 3.021 40 HB3 GLU 7 2HB GLU 7 1.937 -5.004 3.214 41 HG2 GLU 7 1HG GLU 7 3.926 -6.419 3.703 42 HG3 GLU 7 2HG GLU 7 4.947 -4.988 3.598 43 H VAL 8 H VAL 8 1.092 -6.440 1.062 44 HA VAL 8 HA VAL 8 0.123 -4.990 -1.214 45 HB VAL 8 HB VAL 8 -1.591 -6.563 -1.312 46 HG11 VAL 8 1HG1 VAL 8 0.965 -7.416 -1.023 47 HG12 VAL 8 2HG1 VAL 8 -0.378 -8.497 -1.385 48 HG13 VAL 8 3HG1 VAL 8 0.192 -8.321 0.276 49 HG21 VAL 8 3HG2 VAL 8 -2.706 -6.346 0.754 50 HG22 VAL 8 1HG2 VAL 8 -1.245 -6.683 1.681 51 HG23 VAL 8 2HG2 VAL 8 -2.063 -7.986 0.821 52 H CYS 9 H CYS 9 -1.489 -3.476 -1.356 53 HA CYS 9 HA CYS 9 -3.066 -2.793 0.992 54 HB2 CYS 9 2HB CYS 9 -2.369 -0.313 0.569 55 HB3 CYS 9 1HB CYS 9 -1.328 -1.346 1.541 56 H GLY 10 H GLY 10 -4.706 -1.093 0.486 57 HA2 GLY 10 1HA GLY 10 -5.995 0.106 -1.157 58 HA3 GLY 10 2HA GLY 10 -5.383 -0.993 -2.385 59 H TRP 11 H TRP 11 -5.889 -3.107 -0.096 60 HA TRP 11 HA TRP 11 -8.782 -3.233 -0.352 61 HB2 TRP 11 2HB TRP 11 -6.978 -5.526 -1.058 62 HB3 TRP 11 1HB TRP 11 -8.736 -5.532 -1.084 63 HD1 TRP 11 1HD TRP 11 -5.899 -5.047 -3.253 64 HE1 TRP 11 1HE TRP 11 -6.571 -3.930 -5.477 65 HE3 TRP 11 3HE TRP 11 -10.429 -3.301 -1.906 66 HZ2 TRP 11 2HZ TRP 11 -8.821 -2.372 -6.504 67 HZ3 TRP 11 3HZ TRP 11 -11.831 -1.985 -3.471 68 HH2 TRP 11 2HH TRP 11 -11.028 -1.516 -5.768 69 H GLY 12 H GLY 12 -6.032 -3.523 1.488 70 HA2 GLY 12 1HA GLY 12 -7.559 -4.619 3.734 71 HA3 GLY 12 2HA GLY 12 -6.105 -5.493 3.261 72 H SER 13 H SER 13 -4.766 -2.984 2.442 73 HA SER 13 HA SER 13 -4.296 -1.747 5.077 74 HB2 SER 13 1HB SER 13 -2.241 -2.769 3.129 75 HB3 SER 13 2HB SER 13 -1.868 -1.637 4.419 76 HG SER 13 HG SER 13 -2.633 -4.327 4.525 77 H LYS 14 H LYS 14 -3.477 0.407 5.032 78 HA LYS 14 HA LYS 14 -3.904 1.798 2.465 79 HB2 LYS 14 1HB LYS 14 -4.645 2.674 5.267 80 HB3 LYS 14 2HB LYS 14 -4.674 3.736 3.859 81 HG2 LYS 14 1HG LYS 14 -6.253 2.179 2.740 82 HG3 LYS 14 2HG LYS 14 -6.263 1.176 4.191 83 HD2 LYS 14 1HD LYS 14 -7.146 3.053 5.506 84 HD3 LYS 14 2HD LYS 14 -7.101 4.088 4.079 85 HE2 LYS 14 1HE LYS 14 -9.372 3.226 4.407 86 HE3 LYS 14 2HE LYS 14 -8.678 2.544 2.935 87 HZ1 LYS 14 3HZ LYS 14 -9.659 1.183 5.165 88 HZ2 LYS 14 1HZ LYS 14 -7.985 0.909 5.106 89 HZ3 LYS 14 2HZ LYS 14 -8.956 0.529 3.764 90 H CYS 15 H CYS 15 -1.424 0.718 3.855 91 HA CYS 15 HA CYS 15 0.725 1.383 4.259 92 HB2 CYS 15 2HB CYS 15 -0.277 3.571 2.461 93 HB3 CYS 15 1HB CYS 15 1.381 3.485 3.015 94 H CYS 16 H CYS 16 2.090 2.960 5.363 95 HA CYS 16 HA CYS 16 0.820 4.045 7.664 96 HB2 CYS 16 2HB CYS 16 3.513 3.573 6.763 97 HB3 CYS 16 1HB CYS 16 3.374 5.181 7.474 98 H HIS 17 H HIS 17 2.964 5.844 5.476 99 HA HIS 17 HA HIS 17 1.021 7.836 4.871 100 HB2 HIS 17 1HB HIS 17 2.305 8.090 7.425 101 HB3 HIS 17 2HB HIS 17 2.875 9.388 6.375 102 HD1 HIS 17 HD1 HIS 17 -0.103 8.204 8.242 103 HD2 HIS 17 HD2 HIS 17 0.740 11.085 5.348 104 HE1 HIS 17 HE1 HIS 17 -2.107 9.750 8.165 105 H GLY 18 H GLY 18 4.291 6.804 5.151 106 HA2 GLY 18 1HA GLY 18 5.278 8.776 3.234 107 HA3 GLY 18 2HA GLY 18 6.233 7.523 4.022 108 H LEU 19 H LEU 19 3.531 6.018 2.997 109 HA LEU 19 HA LEU 19 4.647 5.367 0.352 110 HB2 LEU 19 1HB LEU 19 3.518 3.529 2.444 111 HB3 LEU 19 2HB LEU 19 3.904 3.043 0.806 112 HG LEU 19 HG LEU 19 5.971 4.360 2.559 113 HD11 LEU 19 1HD1 LEU 19 5.026 2.378 3.762 114 HD12 LEU 19 2HD1 LEU 19 6.699 2.132 3.260 115 HD13 LEU 19 3HD1 LEU 19 5.388 1.388 2.344 116 HD21 LEU 19 3HD2 LEU 19 6.047 2.486 0.174 117 HD22 LEU 19 1HD2 LEU 19 7.462 2.895 1.142 118 HD23 LEU 19 2HD2 LEU 19 6.620 4.158 0.244 119 H ASP 20 H ASP 20 3.041 4.356 -1.113 120 HA ASP 20 HA ASP 20 0.237 4.707 -0.483 121 HB2 ASP 20 1HB ASP 20 1.255 6.996 -1.229 122 HB3 ASP 20 2HB ASP 20 1.247 6.272 -2.835 123 H CYS 21 H CYS 21 -1.128 3.685 -1.991 124 HA CYS 21 HA CYS 21 0.241 2.199 -4.129 125 HB2 CYS 21 2HB CYS 21 -2.032 0.815 -2.973 126 HB3 CYS 21 1HB CYS 21 -0.421 0.211 -3.345 127 HA PRO 22 HA PRO 22 -3.177 3.699 -6.570 128 HB2 PRO 22 2HB PRO 22 -2.991 1.914 -8.644 129 HB3 PRO 22 1HB PRO 22 -1.874 3.279 -8.432 130 HG2 PRO 22 2HG PRO 22 -1.490 0.403 -7.758 131 HG3 PRO 22 1HG PRO 22 -0.338 1.569 -8.414 132 HD2 PRO 22 2HD PRO 22 -0.380 0.794 -5.807 133 HD3 PRO 22 1HD PRO 22 0.218 2.374 -6.354 134 H LEU 23 H LEU 23 -5.310 3.080 -7.276 135 HA LEU 23 HA LEU 23 -6.434 0.980 -5.629 136 HB2 LEU 23 1HB LEU 23 -7.564 3.071 -7.463 137 HB3 LEU 23 2HB LEU 23 -8.583 1.788 -6.813 138 HG LEU 23 HG LEU 23 -8.633 3.855 -5.411 139 HD11 LEU 23 1HD1 LEU 23 -8.808 2.647 -3.479 140 HD12 LEU 23 2HD1 LEU 23 -7.171 1.993 -3.624 141 HD13 LEU 23 3HD1 LEU 23 -8.502 1.266 -4.529 142 HD21 LEU 23 3HD2 LEU 23 -6.698 4.708 -4.371 143 HD22 LEU 23 1HD2 LEU 23 -6.144 4.308 -5.997 144 HD23 LEU 23 2HD2 LEU 23 -5.788 3.223 -4.653 145 H ALA 24 H ALA 24 -4.907 -0.431 -7.077 146 HA ALA 24 HA ALA 24 -6.312 -1.388 -9.469 147 HB1 ALA 24 3HB ALA 24 -3.520 -1.673 -8.434 148 HB2 ALA 24 1HB ALA 24 -4.082 -1.222 -10.042 149 HB3 ALA 24 2HB ALA 24 -4.164 -2.906 -9.520 150 H PHE 25 H PHE 25 -5.745 -3.966 -9.627 151 HA PHE 25 HA PHE 25 -7.630 -5.230 -7.994 152 HB2 PHE 25 2HB PHE 25 -5.356 -6.798 -9.124 153 HB3 PHE 25 1HB PHE 25 -7.076 -7.156 -9.124 154 HD1 PHE 25 1HD PHE 25 -4.354 -5.873 -11.013 155 HD2 PHE 25 2HD PHE 25 -8.611 -5.599 -10.539 156 HE1 PHE 25 1HE PHE 25 -4.538 -4.908 -13.278 157 HE2 PHE 25 2HE PHE 25 -8.800 -4.630 -12.815 158 HZ PHE 25 HZ PHE 25 -6.761 -4.283 -14.186 159 H ILE 26 H ILE 26 -4.071 -5.460 -7.866 160 HA ILE 26 HA ILE 26 -4.261 -5.922 -4.957 161 HB ILE 26 HB ILE 26 -2.341 -7.596 -5.270 162 HG12 ILE 26 1HG1 ILE 26 -3.543 -7.738 -8.044 163 HG13 ILE 26 2HG1 ILE 26 -2.016 -6.932 -7.694 164 HG21 ILE 26 1HG2 ILE 26 -5.127 -8.261 -6.274 165 HG22 ILE 26 2HG2 ILE 26 -4.621 -8.226 -4.584 166 HG23 ILE 26 3HG2 ILE 26 -3.948 -9.430 -5.682 167 HD11 ILE 26 3HD1 ILE 26 -1.052 -8.976 -6.879 168 HD12 ILE 26 1HD1 ILE 26 -1.771 -9.305 -8.454 169 HD13 ILE 26 2HD1 ILE 26 -2.606 -9.801 -6.983 170 HA PRO 27 HA PRO 27 -1.154 -2.673 -6.140 171 HB2 PRO 27 2HB PRO 27 -2.340 -1.287 -3.844 172 HB3 PRO 27 1HB PRO 27 -2.119 -0.721 -5.504 173 HG2 PRO 27 2HG PRO 27 -4.535 -1.295 -4.525 174 HG3 PRO 27 1HG PRO 27 -4.113 -1.614 -6.211 175 HD2 PRO 27 2HD PRO 27 -4.256 -3.532 -3.933 176 HD3 PRO 27 1HD PRO 27 -4.803 -3.726 -5.606 177 H TYR 28 H TYR 28 0.646 -1.852 -4.886 178 HA TYR 28 HA TYR 28 1.121 -3.292 -2.348 179 HB2 TYR 28 2HB TYR 28 2.763 -3.170 -4.814 180 HB3 TYR 28 1HB TYR 28 3.627 -3.058 -3.281 181 HD1 TYR 28 1HD TYR 28 0.812 -5.052 -4.802 182 HD2 TYR 28 2HD TYR 28 4.295 -5.057 -2.282 183 HE1 TYR 28 1HE TYR 28 0.588 -7.497 -4.494 184 HE2 TYR 28 2HE TYR 28 4.071 -7.504 -1.978 185 HH TYR 28 HH TYR 28 1.257 -9.244 -3.116 186 H CYS 29 H CYS 29 2.286 -2.224 -0.758 187 HA CYS 29 HA CYS 29 1.990 0.587 -0.673 188 HB2 CYS 29 2HB CYS 29 2.167 -1.208 1.255 189 HB3 CYS 29 1HB CYS 29 3.894 -0.898 1.117 190 H GLU 30 H GLU 30 3.065 1.631 -2.301 191 HA GLU 30 HA GLU 30 6.024 1.417 -2.223 192 HB2 GLU 30 1HB GLU 30 4.242 1.791 -4.638 193 HB3 GLU 30 2HB GLU 30 6.000 1.934 -4.659 194 HG2 GLU 30 1HG GLU 30 6.210 -0.386 -3.867 195 HG3 GLU 30 2HG GLU 30 4.454 -0.536 -3.820 196 H LYS 31 H LYS 31 7.181 3.366 -2.437 197 HA LYS 31 HA LYS 31 5.884 5.706 -1.501 198 HB2 LYS 31 1HB LYS 31 8.113 5.629 -0.887 199 HB3 LYS 31 2HB LYS 31 8.630 5.000 -2.452 200 HG2 LYS 31 1HG LYS 31 8.440 7.107 -3.493 201 HG3 LYS 31 2HG LYS 31 7.463 7.765 -2.178 202 HD2 LYS 31 1HD LYS 31 9.281 8.250 -0.900 203 HD3 LYS 31 2HD LYS 31 10.122 6.770 -1.366 204 HE2 LYS 31 1HE LYS 31 9.754 8.956 -3.389 205 HE3 LYS 31 2HE LYS 31 11.032 9.091 -2.185 206 HZ1 LYS 31 3HZ LYS 31 11.038 6.489 -3.231 207 HZ2 LYS 31 1HZ LYS 31 12.249 7.669 -3.333 208 HZ3 LYS 31 2HZ LYS 31 11.044 7.586 -4.527 209 H TYR 32 H TYR 32 5.065 7.419 -2.559 210 HA TYR 32 HA TYR 32 4.931 7.235 -5.491 211 HB2 TYR 32 2HB TYR 32 2.874 7.535 -3.949 212 HB3 TYR 32 1HB TYR 32 3.423 9.203 -3.787 213 HD1 TYR 32 1HD TYR 32 2.032 6.682 -6.046 214 HD2 TYR 32 2HD TYR 32 3.487 10.712 -5.738 215 HE1 TYR 32 1HE TYR 32 1.019 7.215 -8.250 216 HE2 TYR 32 2HE TYR 32 2.475 11.245 -7.940 217 HH TYR 32 HH TYR 32 1.462 8.940 -10.105 218 H ARG 33 H ARG 33 6.411 8.362 -6.590 219 HA ARG 33 HA ARG 33 7.461 10.868 -5.427 220 HB2 ARG 33 1HB ARG 33 9.332 10.489 -7.115 221 HB3 ARG 33 2HB ARG 33 9.256 9.346 -5.773 222 HG2 ARG 33 1HG ARG 33 8.124 7.707 -7.168 223 HG3 ARG 33 2HG ARG 33 8.023 8.860 -8.499 224 HD2 ARG 33 1HD ARG 33 10.632 7.920 -7.284 225 HD3 ARG 33 2HD ARG 33 9.908 7.203 -8.720 226 HE ARG 33 HE ARG 33 10.083 9.966 -9.154 227 HH11 ARG 33 1HH1 ARG 33 11.809 10.804 -10.369 228 HH12 ARG 33 2HH1 ARG 33 13.267 9.885 -10.540 229 HH21 ARG 33 2HH2 ARG 33 13.448 7.860 -9.552 230 HH22 ARG 33 1HH2 ARG 33 12.129 7.226 -8.627
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