NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619772 | 5mhd | 34070 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -5.562 6.623 -4.180 2 H2 GLY 1 H2 GLY 1 -5.967 5.437 -3.124 3 H3 GLY 1 H3 GLY 1 -7.134 6.248 -3.944 4 HA2 GLY 1 HA2 GLY 1 -6.830 4.056 -4.904 5 HA3 GLY 1 HA3 GLY 1 -6.405 5.350 -6.043 6 H ILE 2 H ILE 2 -5.435 2.560 -6.029 7 HA ILE 2 HA ILE 2 -2.702 2.524 -4.962 8 HB ILE 2 HB ILE 2 -3.877 0.472 -4.926 9 HG12 ILE 2 HG12 ILE 2 -2.060 0.237 -7.345 10 HG13 ILE 2 HG13 ILE 2 -1.455 0.432 -5.692 11 HG21 ILE 2 HG21 ILE 2 -5.645 0.899 -6.566 12 HG22 ILE 2 HG22 ILE 2 -4.448 0.907 -7.885 13 HG23 ILE 2 HG23 ILE 2 -4.810 -0.577 -6.942 14 HD11 ILE 2 HD11 ILE 2 -1.328 -1.877 -6.352 15 HD12 ILE 2 HD12 ILE 2 -2.560 -1.705 -5.073 16 HD13 ILE 2 HD13 ILE 2 -3.050 -1.943 -6.759 17 H VAL 3 H VAL 3 -4.121 2.879 -8.226 18 HA VAL 3 HA VAL 3 -2.085 3.341 -9.912 19 HB VAL 3 HB VAL 3 -4.271 5.406 -9.502 20 HG11 VAL 3 HG11 VAL 3 -2.959 4.321 -12.034 21 HG12 VAL 3 HG12 VAL 3 -4.228 5.560 -11.962 22 HG13 VAL 3 HG13 VAL 3 -2.638 5.906 -11.295 23 HG21 VAL 3 HG21 VAL 3 -5.736 4.062 -10.971 24 HG22 VAL 3 HG22 VAL 3 -4.611 2.709 -10.849 25 HG23 VAL 3 HG23 VAL 3 -5.476 3.294 -9.416 26 H GLU 4 H GLU 4 -2.984 5.670 -7.342 27 HA GLU 4 HA GLU 4 -1.151 7.648 -8.277 28 HB2 GLU 4 HB2 GLU 4 -3.048 8.143 -6.790 29 HB3 GLU 4 HB3 GLU 4 -2.293 7.225 -5.475 30 HG2 GLU 4 HG2 GLU 4 -0.455 8.811 -5.352 31 HG3 GLU 4 HG3 GLU 4 -1.011 9.646 -6.807 32 H GLN 5 H GLN 5 -0.700 4.832 -6.284 33 HA GLN 5 HA GLN 5 2.059 5.458 -5.509 34 HB2 GLN 5 HB2 GLN 5 -0.014 3.870 -4.447 35 HB3 GLN 5 HB3 GLN 5 1.085 2.685 -5.096 36 HG2 GLN 5 HG2 GLN 5 1.692 4.871 -3.071 37 HG3 GLN 5 HG3 GLN 5 1.578 3.144 -2.749 38 HE21 GLN 5 HE21 GLN 5 3.741 5.702 -3.522 39 HE22 GLN 5 HE22 GLN 5 5.115 4.707 -3.962 40 H CYS 6 H CYS 6 0.389 3.158 -7.689 41 HA CYS 6 HA CYS 6 2.837 1.887 -8.543 42 HB2 CYS 6 HB2 CYS 6 0.033 1.696 -9.634 43 HB3 CYS 6 HB3 CYS 6 1.397 0.681 -10.117 44 H CYS 7 H CYS 7 0.874 4.451 -10.028 45 HA CYS 7 HA CYS 7 2.320 4.290 -12.546 46 HB2 CYS 7 HB2 CYS 7 -0.027 4.997 -12.374 47 HB3 CYS 7 HB3 CYS 7 0.396 6.319 -11.331 48 H THR 8 H THR 8 2.650 6.169 -9.513 49 HA THR 8 HA THR 8 4.771 7.902 -10.616 50 HB THR 8 HB THR 8 4.854 8.943 -8.456 51 HG1 THR 8 HG1 THR 8 2.739 7.608 -7.350 52 HG21 THR 8 HG21 THR 8 1.954 8.470 -9.267 53 HG22 THR 8 HG22 THR 8 3.063 9.661 -9.983 54 HG23 THR 8 HG23 THR 8 2.580 9.810 -8.281 55 H SER 9 H SER 9 4.556 5.168 -8.322 56 HA SER 9 HA SER 9 7.536 5.136 -8.110 57 HB2 SER 9 HB2 SER 9 5.573 4.004 -6.106 58 HB3 SER 9 HB3 SER 9 7.317 4.177 -5.941 59 HG SER 9 HG SER 9 5.489 6.339 -6.265 60 H ILE 10 H ILE 10 6.697 2.301 -6.765 61 HA ILE 10 HA ILE 10 6.630 0.766 -9.302 62 HB ILE 10 HB ILE 10 8.426 -0.722 -8.380 63 HG12 ILE 10 HG12 ILE 10 9.021 1.659 -6.545 64 HG13 ILE 10 HG13 ILE 10 8.381 0.099 -6.019 65 HG21 ILE 10 HG21 ILE 10 8.728 0.953 -10.232 66 HG22 ILE 10 HG22 ILE 10 9.332 2.110 -9.036 67 HG23 ILE 10 HG23 ILE 10 10.212 0.596 -9.344 68 HD11 ILE 10 HD11 ILE 10 10.721 0.172 -5.548 69 HD12 ILE 10 HD12 ILE 10 10.476 -0.997 -6.859 70 HD13 ILE 10 HD13 ILE 10 11.127 0.629 -7.208 71 H CYS 11 H CYS 11 5.572 -1.100 -9.281 72 HA CYS 11 HA CYS 11 4.548 -2.172 -6.687 73 HB2 CYS 11 HB2 CYS 11 2.980 -1.428 -9.176 74 HB3 CYS 11 HB3 CYS 11 2.371 -2.501 -7.915 75 H SER 12 H SER 12 3.602 -4.230 -6.789 76 HA SER 12 HA SER 12 4.398 -6.261 -8.744 77 HB2 SER 12 HB2 SER 12 6.440 -5.919 -7.379 78 HB3 SER 12 HB3 SER 12 5.495 -6.173 -5.896 79 HG SER 12 HG SER 12 6.619 -8.066 -6.623 80 H LEU 13 H LEU 13 3.692 -8.521 -7.424 81 HA LEU 13 HA LEU 13 0.905 -8.429 -7.089 82 HB2 LEU 13 HB2 LEU 13 2.480 -10.441 -5.491 83 HB3 LEU 13 HB3 LEU 13 0.979 -10.628 -6.351 84 HG LEU 13 HG LEU 13 2.756 -10.228 -8.455 85 HD11 LEU 13 HD11 LEU 13 4.683 -11.727 -7.952 86 HD12 LEU 13 HD12 LEU 13 4.184 -11.809 -6.263 87 HD13 LEU 13 HD13 LEU 13 4.721 -10.265 -6.951 88 HD21 LEU 13 HD21 LEU 13 2.620 -12.649 -8.794 89 HD22 LEU 13 HD22 LEU 13 1.051 -12.019 -8.276 90 HD23 LEU 13 HD23 LEU 13 2.078 -12.879 -7.113 91 H TYR 14 H TYR 14 3.454 -7.972 -4.736 92 HA TYR 14 HA TYR 14 2.074 -7.956 -2.303 93 HB2 TYR 14 HB2 TYR 14 4.665 -7.432 -3.248 94 HB3 TYR 14 HB3 TYR 14 4.187 -5.894 -2.581 95 HD1 TYR 14 HD1 TYR 14 3.916 -5.642 -0.135 96 HD2 TYR 14 HD2 TYR 14 4.717 -9.489 -1.925 97 HE1 TYR 14 HE1 TYR 14 4.460 -6.577 2.115 98 HE2 TYR 14 HE2 TYR 14 5.251 -10.427 0.333 99 HH TYR 14 HH TYR 14 5.441 -9.993 2.581 100 H GLN 15 H GLN 15 1.869 -5.556 -4.846 101 HA GLN 15 HA GLN 15 0.301 -3.704 -3.081 102 HB2 GLN 15 HB2 GLN 15 1.590 -3.169 -5.769 103 HB3 GLN 15 HB3 GLN 15 0.648 -2.035 -4.811 104 HG2 GLN 15 HG2 GLN 15 2.689 -3.059 -3.065 105 HG3 GLN 15 HG3 GLN 15 3.473 -2.745 -4.599 106 HE21 GLN 15 HE21 GLN 15 4.333 -0.601 -4.698 107 HE22 GLN 15 HE22 GLN 15 3.592 0.740 -3.855 108 H LEU 16 H LEU 16 0.316 -5.298 -6.308 109 HA LEU 16 HA LEU 16 -2.283 -4.409 -7.138 110 HB2 LEU 16 HB2 LEU 16 -0.369 -6.576 -7.992 111 HB3 LEU 16 HB3 LEU 16 -1.952 -6.353 -8.771 112 HG LEU 16 HG LEU 16 -0.027 -5.430 -9.973 113 HD11 LEU 16 HD11 LEU 16 -2.564 -4.673 -10.004 114 HD12 LEU 16 HD12 LEU 16 -1.347 -3.756 -10.874 115 HD13 LEU 16 HD13 LEU 16 -1.909 -3.207 -9.270 116 HD21 LEU 16 HD21 LEU 16 1.242 -4.342 -8.238 117 HD22 LEU 16 HD22 LEU 16 -0.135 -3.270 -7.852 118 HD23 LEU 16 HD23 LEU 16 0.701 -3.141 -9.421 119 H GLU 17 H GLU 17 -1.394 -7.344 -5.263 120 HA GLU 17 HA GLU 17 -3.817 -8.712 -6.015 121 HB2 GLU 17 HB2 GLU 17 -1.532 -9.634 -5.160 122 HB3 GLU 17 HB3 GLU 17 -2.254 -9.441 -3.544 123 HG2 GLU 17 HG2 GLU 17 -4.196 -10.878 -4.456 124 HG3 GLU 17 HG3 GLU 17 -3.252 -11.069 -5.933 125 H ASN 18 H ASN 18 -3.464 -6.073 -4.189 126 HA ASN 18 HA ASN 18 -5.712 -6.433 -2.316 127 HB2 ASN 18 HB2 ASN 18 -4.127 -3.990 -3.240 128 HB3 ASN 18 HB3 ASN 18 -5.428 -3.918 -2.083 129 HD21 ASN 18 HD21 ASN 18 -2.089 -4.535 -2.508 130 HD22 ASN 18 HD22 ASN 18 -1.739 -5.056 -0.855 131 H TYR 19 H TYR 19 -5.400 -5.778 -5.754 132 HA TYR 19 HA TYR 19 -7.902 -4.155 -5.866 133 HB2 TYR 19 HB2 TYR 19 -5.990 -5.386 -7.857 134 HB3 TYR 19 HB3 TYR 19 -7.557 -4.786 -8.350 135 HD1 TYR 19 HD1 TYR 19 -8.153 -2.327 -7.604 136 HD2 TYR 19 HD2 TYR 19 -4.251 -3.992 -8.143 137 HE1 TYR 19 HE1 TYR 19 -7.462 -0.269 -8.872 138 HE2 TYR 19 HE2 TYR 19 -3.631 -2.155 -9.622 139 HH TYR 19 HH TYR 19 -4.322 -0.162 -10.618 140 H CYS 20 H CYS 20 -6.871 -7.517 -6.345 141 HA CYS 20 HA CYS 20 -8.859 -8.404 -7.935 142 HB2 CYS 20 HB2 CYS 20 -7.927 -10.113 -5.629 143 HB3 CYS 20 HB3 CYS 20 -8.426 -10.602 -7.271 144 H ASN 21 H ASN 21 -10.956 -9.228 -7.745 145 HA ASN 21 HA ASN 21 -12.270 -8.843 -5.123 146 HB2 ASN 21 HB2 ASN 21 -14.337 -8.536 -6.295 147 HB3 ASN 21 HB3 ASN 21 -13.130 -7.472 -6.994 148 HD21 ASN 21 HD21 ASN 21 -14.678 -8.658 -9.996 149 HD22 ASN 21 HD22 ASN 21 -14.669 -7.342 -8.833 150 H SER 22 H SER 22 -10.932 -11.267 -6.917 151 HA SER 22 HA SER 22 -12.557 -13.469 -5.741 152 HB2 SER 22 HB2 SER 22 -11.608 -13.233 -8.631 153 HB3 SER 22 HB3 SER 22 -12.336 -14.670 -7.897 154 HG SER 22 HG SER 22 -13.533 -12.103 -8.249 155 H1 PHE 1 H1 PHE 1 8.762 -12.871 -9.978 156 H2 PHE 1 H2 PHE 1 9.537 -11.780 -9.024 157 H3 PHE 1 H3 PHE 1 10.008 -11.989 -10.578 158 HA PHE 1 HA PHE 1 7.946 -11.122 -11.411 159 HB2 PHE 1 HB2 PHE 1 6.759 -11.898 -9.198 160 HB3 PHE 1 HB3 PHE 1 7.224 -10.332 -8.574 161 HD1 PHE 1 HD1 PHE 1 6.257 -8.221 -9.665 162 HD2 PHE 1 HD2 PHE 1 4.927 -12.194 -10.703 163 HE1 PHE 1 HE1 PHE 1 4.215 -7.276 -10.706 164 HE2 PHE 1 HE2 PHE 1 2.846 -11.246 -11.648 165 HZ PHE 1 HZ PHE 1 2.483 -8.785 -11.655 166 H VAL 2 H VAL 2 7.832 -8.924 -11.977 167 HA VAL 2 HA VAL 2 10.269 -7.454 -11.174 168 HB VAL 2 HB VAL 2 9.966 -7.976 -13.522 169 HG11 VAL 2 HG11 VAL 2 7.617 -6.032 -13.574 170 HG12 VAL 2 HG12 VAL 2 8.366 -6.863 -14.950 171 HG13 VAL 2 HG13 VAL 2 7.480 -7.797 -13.733 172 HG21 VAL 2 HG21 VAL 2 9.862 -4.992 -12.981 173 HG22 VAL 2 HG22 VAL 2 11.298 -6.036 -12.835 174 HG23 VAL 2 HG23 VAL 2 10.523 -5.796 -14.413 175 H LYS 3 H LYS 3 10.278 -5.691 -9.940 176 HA LYS 3 HA LYS 3 7.784 -4.316 -9.170 177 HB2 LYS 3 HB2 LYS 3 10.677 -3.688 -8.485 178 HB3 LYS 3 HB3 LYS 3 9.242 -2.902 -7.814 179 HG2 LYS 3 HG2 LYS 3 8.483 -5.049 -6.849 180 HG3 LYS 3 HG3 LYS 3 9.921 -5.865 -7.487 181 HD2 LYS 3 HD2 LYS 3 9.931 -3.573 -5.476 182 HD3 LYS 3 HD3 LYS 3 10.091 -5.296 -5.090 183 HE2 LYS 3 HE2 LYS 3 12.160 -5.399 -6.485 184 HE3 LYS 3 HE3 LYS 3 12.028 -3.661 -6.793 185 HZ1 LYS 3 HZ1 LYS 3 12.380 -4.886 -4.107 186 HZ2 LYS 3 HZ2 LYS 3 12.252 -3.281 -4.393 187 HZ3 LYS 3 HZ3 LYS 3 13.539 -4.109 -4.949 188 H GLN 4 H GLN 4 6.907 -2.784 -10.426 189 HA GLN 4 HA GLN 4 8.667 -1.145 -12.203 190 HB2 GLN 4 HB2 GLN 4 7.980 -3.393 -13.206 191 HB3 GLN 4 HB3 GLN 4 6.321 -2.774 -13.246 192 HG2 GLN 4 HG2 GLN 4 6.845 -1.190 -14.922 193 HG3 GLN 4 HG3 GLN 4 8.575 -1.203 -14.528 194 HE21 GLN 4 HE21 GLN 4 7.230 -4.443 -16.708 195 HE22 GLN 4 HE22 GLN 4 6.143 -3.759 -15.512 196 H HIS 5 H HIS 5 7.788 0.664 -13.136 197 HA HIS 5 HA HIS 5 5.534 1.974 -11.806 198 HB2 HIS 5 HB2 HIS 5 6.219 3.776 -13.591 199 HB3 HIS 5 HB3 HIS 5 7.222 3.507 -12.181 200 HD1 HIS 5 HD1 HIS 5 9.727 3.206 -12.662 201 HD2 HIS 5 HD2 HIS 5 7.239 2.165 -15.890 202 HE1 HIS 5 HE1 HIS 5 11.280 2.561 -14.579 203 H LEU 6 H LEU 6 3.510 1.990 -12.488 204 HA LEU 6 HA LEU 6 2.862 1.422 -15.345 205 HB2 LEU 6 HB2 LEU 6 1.592 -0.107 -13.058 206 HB3 LEU 6 HB3 LEU 6 1.421 -0.373 -14.769 207 HG LEU 6 HG LEU 6 4.041 -0.798 -13.380 208 HD11 LEU 6 HD11 LEU 6 2.383 -2.153 -12.278 209 HD12 LEU 6 HD12 LEU 6 3.491 -3.136 -13.238 210 HD13 LEU 6 HD13 LEU 6 1.850 -2.798 -13.844 211 HD21 LEU 6 HD21 LEU 6 4.629 -2.215 -15.189 212 HD22 LEU 6 HD22 LEU 6 4.049 -0.729 -15.950 213 HD23 LEU 6 HD23 LEU 6 3.005 -2.176 -15.872 214 H CYS 7 H CYS 7 1.206 2.490 -16.063 215 HA CYS 7 HA CYS 7 -0.692 3.893 -14.215 216 HB2 CYS 7 HB2 CYS 7 0.394 4.788 -16.901 217 HB3 CYS 7 HB3 CYS 7 -0.662 5.710 -15.839 218 H GLY 8 H GLY 8 -2.801 3.218 -14.546 219 HA2 GLY 8 HA2 GLY 8 -4.726 2.475 -15.587 220 HA3 GLY 8 HA3 GLY 8 -4.084 3.196 -17.059 221 H SER 9 H SER 9 -3.734 1.829 -18.728 222 HA SER 9 HA SER 9 -4.341 -0.908 -18.754 223 HB2 SER 9 HB2 SER 9 -2.444 0.635 -20.587 224 HB3 SER 9 HB3 SER 9 -3.281 -0.882 -20.983 225 HG SER 9 HG SER 9 -4.388 0.964 -21.816 226 H HIS 10 H HIS 10 -1.073 0.574 -18.348 227 HA HIS 10 HA HIS 10 0.381 -1.958 -18.365 228 HB2 HIS 10 HB2 HIS 10 0.974 0.709 -17.016 229 HB3 HIS 10 HB3 HIS 10 2.121 -0.605 -17.139 230 HD1 HIS 10 HD1 HIS 10 2.899 -1.141 -19.854 231 HD2 HIS 10 HD2 HIS 10 0.771 2.356 -18.925 232 HE1 HIS 10 HE1 HIS 10 3.191 0.409 -21.859 233 H LEU 11 H LEU 11 -1.323 -0.096 -15.892 234 HA LEU 11 HA LEU 11 -0.192 -1.517 -13.646 235 HB2 LEU 11 HB2 LEU 11 -1.352 0.903 -13.967 236 HB3 LEU 11 HB3 LEU 11 -2.793 -0.001 -13.545 237 HG LEU 11 HG LEU 11 -0.288 0.494 -11.877 238 HD11 LEU 11 HD11 LEU 11 -1.876 2.256 -11.806 239 HD12 LEU 11 HD12 LEU 11 -2.116 1.306 -10.306 240 HD13 LEU 11 HD13 LEU 11 -3.242 1.138 -11.670 241 HD21 LEU 11 HD21 LEU 11 -1.461 -0.840 -10.083 242 HD22 LEU 11 HD22 LEU 11 -0.730 -1.752 -11.397 243 HD23 LEU 11 HD23 LEU 11 -2.497 -1.499 -11.382 244 H VAL 12 H VAL 12 -3.230 -1.629 -15.486 245 HA VAL 12 HA VAL 12 -4.360 -3.977 -14.280 246 HB VAL 12 HB VAL 12 -4.700 -2.830 -17.074 247 HG11 VAL 12 HG11 VAL 12 -6.158 -5.160 -15.778 248 HG12 VAL 12 HG12 VAL 12 -6.765 -4.267 -17.191 249 HG13 VAL 12 HG13 VAL 12 -5.255 -5.166 -17.304 250 HG21 VAL 12 HG21 VAL 12 -6.900 -2.134 -16.173 251 HG22 VAL 12 HG22 VAL 12 -6.490 -2.865 -14.609 252 HG23 VAL 12 HG23 VAL 12 -5.588 -1.456 -15.202 253 H GLU 13 H GLU 13 -1.703 -3.611 -16.722 254 HA GLU 13 HA GLU 13 -1.781 -6.372 -17.510 255 HB2 GLU 13 HB2 GLU 13 -0.569 -4.349 -18.644 256 HB3 GLU 13 HB3 GLU 13 0.725 -4.682 -17.496 257 HG2 GLU 13 HG2 GLU 13 1.318 -5.759 -19.497 258 HG3 GLU 13 HG3 GLU 13 0.842 -7.039 -18.402 259 H ALA 14 H ALA 14 -0.520 -4.772 -14.628 260 HA ALA 14 HA ALA 14 0.831 -7.259 -13.686 261 HB1 ALA 14 HB1 ALA 14 1.281 -5.917 -11.693 262 HB2 ALA 14 HB2 ALA 14 1.895 -5.128 -13.174 263 HB3 ALA 14 HB3 ALA 14 0.415 -4.527 -12.418 264 H LEU 15 H LEU 15 -2.007 -5.215 -12.820 265 HA LEU 15 HA LEU 15 -3.133 -6.656 -10.802 266 HB2 LEU 15 HB2 LEU 15 -3.720 -4.447 -12.227 267 HB3 LEU 15 HB3 LEU 15 -4.842 -5.549 -13.036 268 HG LEU 15 HG LEU 15 -4.736 -4.794 -10.136 269 HD11 LEU 15 HD11 LEU 15 -6.697 -4.260 -12.385 270 HD12 LEU 15 HD12 LEU 15 -5.666 -3.072 -11.589 271 HD13 LEU 15 HD13 LEU 15 -6.993 -3.826 -10.682 272 HD21 LEU 15 HD21 LEU 15 -6.417 -6.846 -11.529 273 HD22 LEU 15 HD22 LEU 15 -6.807 -6.126 -9.935 274 HD23 LEU 15 HD23 LEU 15 -5.314 -7.004 -10.134 275 H TYR 16 H TYR 16 -3.719 -7.143 -14.251 276 HA TYR 16 HA TYR 16 -5.627 -9.289 -14.133 277 HB2 TYR 16 HB2 TYR 16 -5.094 -7.548 -15.927 278 HB3 TYR 16 HB3 TYR 16 -3.656 -8.467 -16.340 279 HD1 TYR 16 HD1 TYR 16 -4.366 -11.150 -16.868 280 HD2 TYR 16 HD2 TYR 16 -6.678 -7.564 -17.485 281 HE1 TYR 16 HE1 TYR 16 -5.716 -12.329 -18.572 282 HE2 TYR 16 HE2 TYR 16 -8.061 -8.758 -19.189 283 HH TYR 16 HH TYR 16 -8.427 -10.732 -20.306 284 H LEU 17 H LEU 17 -2.168 -9.267 -13.894 285 HA LEU 17 HA LEU 17 -1.840 -12.137 -14.493 286 HB2 LEU 17 HB2 LEU 17 -0.224 -10.375 -15.248 287 HB3 LEU 17 HB3 LEU 17 0.048 -9.904 -13.603 288 HG LEU 17 HG LEU 17 1.021 -11.959 -12.951 289 HD11 LEU 17 HD11 LEU 17 1.652 -13.705 -14.653 290 HD12 LEU 17 HD12 LEU 17 0.625 -12.871 -15.843 291 HD13 LEU 17 HD13 LEU 17 -0.089 -13.614 -14.397 292 HD21 LEU 17 HD21 LEU 17 2.246 -10.950 -15.567 293 HD22 LEU 17 HD22 LEU 17 3.103 -11.801 -14.259 294 HD23 LEU 17 HD23 LEU 17 2.434 -10.183 -13.976 295 H VAL 18 H VAL 18 -1.581 -9.807 -11.870 296 HA VAL 18 HA VAL 18 -0.872 -11.513 -9.692 297 HB VAL 18 HB VAL 18 -2.074 -8.701 -9.939 298 HG11 VAL 18 HG11 VAL 18 -1.293 -8.544 -7.514 299 HG12 VAL 18 HG12 VAL 18 -2.763 -9.480 -7.786 300 HG13 VAL 18 HG13 VAL 18 -1.214 -10.310 -7.494 301 HG21 VAL 18 HG21 VAL 18 0.241 -8.045 -9.458 302 HG22 VAL 18 HG22 VAL 18 0.667 -9.722 -9.050 303 HG23 VAL 18 HG23 VAL 18 0.344 -9.276 -10.712 304 H CYS 19 H CYS 19 -3.941 -10.441 -10.986 305 HA CYS 19 HA CYS 19 -5.498 -12.091 -9.054 306 HB2 CYS 19 HB2 CYS 19 -6.411 -10.124 -11.157 307 HB3 CYS 19 HB3 CYS 19 -7.445 -10.929 -9.957 308 H GLY 20 H GLY 20 -4.093 -12.436 -12.105 309 HA2 GLY 20 HA2 GLY 20 -4.112 -14.135 -13.628 310 HA3 GLY 20 HA3 GLY 20 -4.664 -15.153 -12.289 311 H GLU 21 H GLU 21 -6.198 -12.533 -14.107 312 HA GLU 21 HA GLU 21 -8.295 -12.167 -14.784 313 HB2 GLU 21 HB2 GLU 21 -9.009 -13.332 -16.680 314 HB3 GLU 21 HB3 GLU 21 -7.258 -13.169 -16.705 315 HG2 GLU 21 HG2 GLU 21 -6.946 -15.510 -16.197 316 HG3 GLU 21 HG3 GLU 21 -8.669 -15.735 -15.887 317 H ARG 22 H ARG 22 -8.211 -13.958 -12.290 318 HA ARG 22 HA ARG 22 -10.793 -15.285 -12.168 319 HB2 ARG 22 HB2 ARG 22 -9.224 -14.015 -9.896 320 HB3 ARG 22 HB3 ARG 22 -10.541 -15.180 -9.730 321 HG2 ARG 22 HG2 ARG 22 -9.144 -16.902 -10.880 322 HG3 ARG 22 HG3 ARG 22 -7.800 -15.761 -10.927 323 HD2 ARG 22 HD2 ARG 22 -9.144 -16.975 -8.500 324 HD3 ARG 22 HD3 ARG 22 -7.475 -17.193 -9.003 325 HE ARG 22 HE ARG 22 -8.687 -14.827 -7.636 326 HH11 ARG 22 HH11 ARG 22 -5.666 -16.073 -8.932 327 HH12 ARG 22 HH12 ARG 22 -4.754 -14.806 -8.145 328 HH21 ARG 22 HH21 ARG 22 -7.611 -13.368 -6.794 329 HH22 ARG 22 HH22 ARG 22 -5.844 -13.282 -6.869 330 H GLY 23 H GLY 23 -9.740 -12.086 -11.031 331 HA2 GLY 23 HA2 GLY 23 -11.429 -10.439 -12.195 332 HA3 GLY 23 HA3 GLY 23 -12.528 -11.032 -10.960 333 H PHE 24 H PHE 24 -11.840 -8.418 -11.312 334 HA PHE 24 HA PHE 24 -10.678 -7.370 -8.850 335 HB2 PHE 24 HB2 PHE 24 -8.912 -6.161 -10.039 336 HB3 PHE 24 HB3 PHE 24 -8.625 -7.885 -9.995 337 HD1 PHE 24 HD1 PHE 24 -8.978 -9.302 -12.067 338 HD2 PHE 24 HD2 PHE 24 -8.850 -5.001 -12.123 339 HE1 PHE 24 HE1 PHE 24 -8.462 -9.355 -14.482 340 HE2 PHE 24 HE2 PHE 24 -8.113 -5.058 -14.514 341 HZ PHE 24 HZ PHE 24 -8.018 -7.232 -15.703 342 H PHE 25 H PHE 25 -10.614 -5.001 -8.860 343 HA PHE 25 HA PHE 25 -12.283 -3.651 -10.940 344 HB2 PHE 25 HB2 PHE 25 -12.410 -3.266 -7.917 345 HB3 PHE 25 HB3 PHE 25 -13.071 -2.134 -9.089 346 HD1 PHE 25 HD1 PHE 25 -13.833 -4.968 -7.087 347 HD2 PHE 25 HD2 PHE 25 -14.731 -3.066 -10.844 348 HE1 PHE 25 HE1 PHE 25 -16.012 -6.183 -7.175 349 HE2 PHE 25 HE2 PHE 25 -16.901 -4.309 -10.951 350 HZ PHE 25 HZ PHE 25 -17.533 -5.860 -9.116 351 H TYR 26 H TYR 26 -10.734 -2.654 -12.049 352 HA TYR 26 HA TYR 26 -8.318 -1.540 -10.873 353 HB2 TYR 26 HB2 TYR 26 -7.892 -0.888 -13.279 354 HB3 TYR 26 HB3 TYR 26 -8.135 -2.593 -12.969 355 HD1 TYR 26 HD1 TYR 26 -10.047 -3.807 -13.771 356 HD2 TYR 26 HD2 TYR 26 -9.668 0.429 -14.483 357 HE1 TYR 26 HE1 TYR 26 -11.999 -3.901 -15.308 358 HE2 TYR 26 HE2 TYR 26 -11.592 0.330 -16.070 359 HH TYR 26 HH TYR 26 -13.357 -2.713 -16.748 360 H THR 27 H THR 27 -11.401 -0.274 -10.839 361 HA THR 27 HA THR 27 -11.234 2.326 -11.756 362 HB THR 27 HB THR 27 -12.667 1.632 -9.185 363 HG1 THR 27 HG1 THR 27 -14.315 0.822 -10.514 364 HG21 THR 27 HG21 THR 27 -14.381 3.131 -10.107 365 HG22 THR 27 HG22 THR 27 -13.435 3.336 -11.602 366 HG23 THR 27 HG23 THR 27 -12.823 3.971 -10.068 367 HA PRO 28 HA PRO 28 -8.020 3.952 -9.116 368 HB2 PRO 28 HB2 PRO 28 -9.087 6.661 -9.913 369 HB3 PRO 28 HB3 PRO 28 -7.399 6.067 -9.930 370 HG2 PRO 28 HG2 PRO 28 -8.807 6.199 -12.232 371 HG3 PRO 28 HG3 PRO 28 -7.811 4.745 -11.889 372 HD2 PRO 28 HD2 PRO 28 -10.796 5.099 -11.521 373 HD3 PRO 28 HD3 PRO 28 -9.874 3.749 -12.259 374 H LYS 29 H LYS 29 -11.311 5.122 -8.636 375 HA LYS 29 HA LYS 29 -10.933 5.392 -5.736 376 HB2 LYS 29 HB2 LYS 29 -10.484 7.655 -6.708 377 HB3 LYS 29 HB3 LYS 29 -12.012 7.582 -7.581 378 HG2 LYS 29 HG2 LYS 29 -12.336 8.999 -5.691 379 HG3 LYS 29 HG3 LYS 29 -13.229 7.518 -5.423 380 HD2 LYS 29 HD2 LYS 29 -10.849 6.887 -4.165 381 HD3 LYS 29 HD3 LYS 29 -10.863 8.635 -3.958 382 HE2 LYS 29 HE2 LYS 29 -13.114 6.716 -3.226 383 HE3 LYS 29 HE3 LYS 29 -11.913 7.331 -2.086 384 HZ1 LYS 29 HZ1 LYS 29 -12.765 9.605 -2.597 385 HZ2 LYS 29 HZ2 LYS 29 -13.907 8.656 -1.928 386 HZ3 LYS 29 HZ3 LYS 29 -13.959 8.957 -3.531 387 H THR 30 H THR 30 -12.825 4.939 -4.585 388 HA THR 30 HA THR 30 -14.790 3.286 -5.845 389 HB THR 30 HB THR 30 -15.933 3.465 -3.571 390 HG1 THR 30 HG1 THR 30 -14.697 4.498 -1.980 391 HG21 THR 30 HG21 THR 30 -14.197 2.213 -2.381 392 HG22 THR 30 HG22 THR 30 -12.956 2.784 -3.513 393 HG23 THR 30 HG23 THR 30 -14.246 1.699 -4.071 394 H ARG 31 H ARG 31 -15.102 6.563 -4.484 395 HA ARG 31 HA ARG 31 -17.337 7.230 -6.327 396 HB2 ARG 31 HB2 ARG 31 -17.397 7.598 -3.300 397 HB3 ARG 31 HB3 ARG 31 -18.513 8.368 -4.442 398 HG2 ARG 31 HG2 ARG 31 -19.260 6.112 -5.213 399 HG3 ARG 31 HG3 ARG 31 -18.231 5.365 -3.969 400 HD2 ARG 31 HD2 ARG 31 -19.501 6.572 -2.202 401 HD3 ARG 31 HD3 ARG 31 -20.501 7.323 -3.437 402 HE ARG 31 HE ARG 31 -21.667 5.343 -3.776 403 HH11 ARG 31 HH11 ARG 31 -22.430 3.335 -3.217 404 HH12 ARG 31 HH12 ARG 31 -21.554 2.365 -2.069 405 HH21 ARG 31 HH21 ARG 31 -19.019 4.620 -1.601 406 HH22 ARG 31 HH22 ARG 31 -19.671 3.053 -1.189 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -5.814 4.340 -2.819 2 H2 GLY 1 H2 GLY 1 -6.805 5.543 -3.327 3 H3 GLY 1 H3 GLY 1 -5.194 5.822 -3.169 4 HA2 GLY 1 HA2 GLY 1 -6.451 3.995 -5.123 5 HA3 GLY 1 HA3 GLY 1 -5.809 5.604 -5.494 6 H ILE 2 H ILE 2 -5.094 2.385 -5.705 7 HA ILE 2 HA ILE 2 -2.280 2.312 -4.872 8 HB ILE 2 HB ILE 2 -3.600 0.302 -4.799 9 HG12 ILE 2 HG12 ILE 2 -1.731 0.013 -7.192 10 HG13 ILE 2 HG13 ILE 2 -1.171 0.152 -5.516 11 HG21 ILE 2 HG21 ILE 2 -4.579 -0.709 -6.808 12 HG22 ILE 2 HG22 ILE 2 -5.320 0.836 -6.495 13 HG23 ILE 2 HG23 ILE 2 -4.095 0.726 -7.772 14 HD11 ILE 2 HD11 ILE 2 -2.841 -2.118 -6.703 15 HD12 ILE 2 HD12 ILE 2 -1.154 -2.145 -6.153 16 HD13 ILE 2 HD13 ILE 2 -2.460 -1.941 -4.976 17 H VAL 3 H VAL 3 -3.971 2.822 -7.978 18 HA VAL 3 HA VAL 3 -2.087 3.252 -9.823 19 HB VAL 3 HB VAL 3 -4.139 5.375 -9.099 20 HG11 VAL 3 HG11 VAL 3 -4.293 5.709 -11.547 21 HG12 VAL 3 HG12 VAL 3 -2.651 6.006 -10.977 22 HG13 VAL 3 HG13 VAL 3 -3.040 4.480 -11.803 23 HG21 VAL 3 HG21 VAL 3 -5.380 3.260 -9.096 24 HG22 VAL 3 HG22 VAL 3 -5.755 4.172 -10.545 25 HG23 VAL 3 HG23 VAL 3 -4.644 2.805 -10.648 26 H GLU 4 H GLU 4 -2.525 5.471 -7.030 27 HA GLU 4 HA GLU 4 -0.647 7.345 -8.133 28 HB2 GLU 4 HB2 GLU 4 -2.296 7.910 -6.350 29 HB3 GLU 4 HB3 GLU 4 -1.375 6.930 -5.199 30 HG2 GLU 4 HG2 GLU 4 0.583 8.407 -5.478 31 HG3 GLU 4 HG3 GLU 4 -0.267 9.334 -6.713 32 H GLN 5 H GLN 5 -0.305 4.591 -5.933 33 HA GLN 5 HA GLN 5 2.533 4.835 -5.457 34 HB2 GLN 5 HB2 GLN 5 0.266 3.255 -4.556 35 HB3 GLN 5 HB3 GLN 5 1.546 2.154 -4.991 36 HG2 GLN 5 HG2 GLN 5 1.836 4.533 -3.088 37 HG3 GLN 5 HG3 GLN 5 1.502 2.884 -2.584 38 HE21 GLN 5 HE21 GLN 5 4.059 5.069 -3.715 39 HE22 GLN 5 HE22 GLN 5 5.347 3.902 -3.455 40 H CYS 6 H CYS 6 0.583 2.966 -7.781 41 HA CYS 6 HA CYS 6 2.843 1.500 -8.843 42 HB2 CYS 6 HB2 CYS 6 -0.059 1.792 -9.622 43 HB3 CYS 6 HB3 CYS 6 1.115 1.014 -10.684 44 H CYS 7 H CYS 7 0.941 4.320 -10.035 45 HA CYS 7 HA CYS 7 2.330 4.256 -12.570 46 HB2 CYS 7 HB2 CYS 7 -0.035 4.845 -12.382 47 HB3 CYS 7 HB3 CYS 7 0.320 6.178 -11.325 48 H THR 8 H THR 8 2.508 6.359 -9.629 49 HA THR 8 HA THR 8 4.574 8.072 -10.885 50 HB THR 8 HB THR 8 4.547 9.449 -9.029 51 HG1 THR 8 HG1 THR 8 2.928 7.632 -7.592 52 HG21 THR 8 HG21 THR 8 2.497 9.612 -10.406 53 HG22 THR 8 HG22 THR 8 2.230 10.086 -8.716 54 HG23 THR 8 HG23 THR 8 1.669 8.502 -9.294 55 H SER 9 H SER 9 4.448 5.455 -8.506 56 HA SER 9 HA SER 9 7.425 5.559 -8.281 57 HB2 SER 9 HB2 SER 9 5.566 4.480 -6.159 58 HB3 SER 9 HB3 SER 9 7.316 4.677 -6.073 59 HG SER 9 HG SER 9 5.451 6.814 -6.405 60 H ILE 10 H ILE 10 6.647 2.763 -6.816 61 HA ILE 10 HA ILE 10 6.468 1.121 -9.266 62 HB ILE 10 HB ILE 10 8.338 -0.322 -8.400 63 HG12 ILE 10 HG12 ILE 10 9.038 2.121 -6.697 64 HG13 ILE 10 HG13 ILE 10 8.401 0.602 -6.073 65 HG21 ILE 10 HG21 ILE 10 10.068 0.935 -9.508 66 HG22 ILE 10 HG22 ILE 10 8.544 1.291 -10.327 67 HG23 ILE 10 HG23 ILE 10 9.233 2.471 -9.198 68 HD11 ILE 10 HD11 ILE 10 11.084 1.022 -7.426 69 HD12 ILE 10 HD12 ILE 10 10.764 0.660 -5.724 70 HD13 ILE 10 HD13 ILE 10 10.425 -0.573 -6.959 71 H CYS 11 H CYS 11 5.593 -0.892 -9.010 72 HA CYS 11 HA CYS 11 4.787 -1.819 -6.298 73 HB2 CYS 11 HB2 CYS 11 2.473 -1.940 -6.935 74 HB3 CYS 11 HB3 CYS 11 3.061 -0.294 -7.055 75 H SER 12 H SER 12 3.484 -3.937 -6.534 76 HA SER 12 HA SER 12 4.401 -5.800 -8.596 77 HB2 SER 12 HB2 SER 12 5.685 -7.195 -7.074 78 HB3 SER 12 HB3 SER 12 6.364 -5.560 -7.015 79 HG SER 12 HG SER 12 6.103 -6.344 -4.916 80 H LEU 13 H LEU 13 3.704 -8.252 -7.475 81 HA LEU 13 HA LEU 13 0.908 -8.062 -7.190 82 HB2 LEU 13 HB2 LEU 13 0.965 -10.385 -7.125 83 HB3 LEU 13 HB3 LEU 13 2.331 -9.935 -8.153 84 HG LEU 13 HG LEU 13 2.538 -10.748 -5.278 85 HD11 LEU 13 HD11 LEU 13 3.137 -12.327 -7.814 86 HD12 LEU 13 HD12 LEU 13 1.760 -12.598 -6.728 87 HD13 LEU 13 HD13 LEU 13 3.404 -12.888 -6.151 88 HD21 LEU 13 HD21 LEU 13 4.698 -10.303 -7.326 89 HD22 LEU 13 HD22 LEU 13 4.939 -11.112 -5.773 90 HD23 LEU 13 HD23 LEU 13 4.466 -9.422 -5.803 91 H TYR 14 H TYR 14 3.406 -7.750 -4.851 92 HA TYR 14 HA TYR 14 1.910 -8.342 -2.476 93 HB2 TYR 14 HB2 TYR 14 4.543 -7.693 -3.137 94 HB3 TYR 14 HB3 TYR 14 4.008 -6.259 -2.302 95 HD1 TYR 14 HD1 TYR 14 4.536 -9.905 -2.108 96 HD2 TYR 14 HD2 TYR 14 3.505 -6.373 0.132 97 HE1 TYR 14 HE1 TYR 14 4.896 -11.153 0.039 98 HE2 TYR 14 HE2 TYR 14 3.857 -7.607 2.266 99 HH TYR 14 HH TYR 14 4.442 -9.599 3.239 100 H GLN 15 H GLN 15 1.753 -5.691 -4.718 101 HA GLN 15 HA GLN 15 0.053 -4.068 -2.865 102 HB2 GLN 15 HB2 GLN 15 1.286 -3.227 -5.495 103 HB3 GLN 15 HB3 GLN 15 0.342 -2.261 -4.346 104 HG2 GLN 15 HG2 GLN 15 2.205 -3.045 -2.627 105 HG3 GLN 15 HG3 GLN 15 3.164 -3.327 -4.071 106 HE21 GLN 15 HE21 GLN 15 3.908 -1.388 -2.108 107 HE22 GLN 15 HE22 GLN 15 3.691 0.204 -2.847 108 H LEU 16 H LEU 16 0.239 -5.241 -6.268 109 HA LEU 16 HA LEU 16 -2.346 -4.460 -7.092 110 HB2 LEU 16 HB2 LEU 16 -0.389 -6.548 -8.007 111 HB3 LEU 16 HB3 LEU 16 -1.954 -6.322 -8.811 112 HG LEU 16 HG LEU 16 0.022 -5.370 -9.906 113 HD11 LEU 16 HD11 LEU 16 -1.281 -3.727 -10.878 114 HD12 LEU 16 HD12 LEU 16 -1.891 -3.145 -9.312 115 HD13 LEU 16 HD13 LEU 16 -2.534 -4.622 -10.033 116 HD21 LEU 16 HD21 LEU 16 -0.174 -3.257 -7.763 117 HD22 LEU 16 HD22 LEU 16 0.631 -3.084 -9.339 118 HD23 LEU 16 HD23 LEU 16 1.251 -4.250 -8.194 119 H GLU 17 H GLU 17 -1.511 -7.473 -5.295 120 HA GLU 17 HA GLU 17 -3.981 -8.753 -6.086 121 HB2 GLU 17 HB2 GLU 17 -1.742 -9.801 -5.199 122 HB3 GLU 17 HB3 GLU 17 -2.536 -9.626 -3.613 123 HG2 GLU 17 HG2 GLU 17 -4.534 -10.858 -4.720 124 HG3 GLU 17 HG3 GLU 17 -3.479 -11.105 -6.115 125 H ASN 18 H ASN 18 -3.524 -6.149 -4.177 126 HA ASN 18 HA ASN 18 -5.828 -6.531 -2.361 127 HB2 ASN 18 HB2 ASN 18 -4.169 -4.075 -3.112 128 HB3 ASN 18 HB3 ASN 18 -5.537 -4.021 -2.041 129 HD21 ASN 18 HD21 ASN 18 -1.975 -5.433 -0.652 130 HD22 ASN 18 HD22 ASN 18 -2.218 -4.986 -2.344 131 H TYR 19 H TYR 19 -5.437 -5.771 -5.771 132 HA TYR 19 HA TYR 19 -7.904 -4.107 -5.863 133 HB2 TYR 19 HB2 TYR 19 -6.023 -5.347 -7.870 134 HB3 TYR 19 HB3 TYR 19 -7.585 -4.717 -8.360 135 HD1 TYR 19 HD1 TYR 19 -8.131 -2.249 -7.515 136 HD2 TYR 19 HD2 TYR 19 -4.273 -3.997 -8.169 137 HE1 TYR 19 HE1 TYR 19 -7.342 -0.127 -8.645 138 HE2 TYR 19 HE2 TYR 19 -3.624 -2.119 -9.590 139 HH TYR 19 HH TYR 19 -4.289 -0.063 -10.506 140 H CYS 20 H CYS 20 -6.941 -7.485 -6.428 141 HA CYS 20 HA CYS 20 -8.976 -8.294 -7.960 142 HB2 CYS 20 HB2 CYS 20 -8.025 -10.045 -5.708 143 HB3 CYS 20 HB3 CYS 20 -8.574 -10.515 -7.341 144 H ASN 21 H ASN 21 -10.999 -9.373 -7.693 145 HA ASN 21 HA ASN 21 -12.534 -8.147 -5.567 146 HB2 ASN 21 HB2 ASN 21 -13.318 -9.924 -7.925 147 HB3 ASN 21 HB3 ASN 21 -14.491 -9.271 -6.779 148 HD21 ASN 21 HD21 ASN 21 -14.836 -8.709 -9.428 149 HD22 ASN 21 HD22 ASN 21 -14.458 -7.014 -9.701 150 H SER 22 H SER 22 -13.550 -9.058 -3.871 151 HA SER 22 HA SER 22 -13.442 -11.981 -3.358 152 HB2 SER 22 HB2 SER 22 -12.706 -11.580 -1.051 153 HB3 SER 22 HB3 SER 22 -11.490 -11.094 -2.249 154 HG SER 22 HG SER 22 -11.780 -9.489 -0.592 155 H1 PHE 1 H1 PHE 1 9.569 -12.673 -8.912 156 H2 PHE 1 H2 PHE 1 10.220 -11.432 -8.060 157 H3 PHE 1 H3 PHE 1 10.734 -11.734 -9.585 158 HA PHE 1 HA PHE 1 8.620 -11.160 -10.516 159 HB2 PHE 1 HB2 PHE 1 7.427 -11.875 -8.296 160 HB3 PHE 1 HB3 PHE 1 7.753 -10.254 -7.742 161 HD1 PHE 1 HD1 PHE 1 5.638 -12.400 -9.759 162 HD2 PHE 1 HD2 PHE 1 6.708 -8.280 -9.027 163 HE1 PHE 1 HE1 PHE 1 3.459 -11.666 -10.677 164 HE2 PHE 1 HE2 PHE 1 4.544 -7.558 -10.002 165 HZ PHE 1 HZ PHE 1 2.879 -9.257 -10.720 166 H VAL 2 H VAL 2 8.242 -9.043 -11.253 167 HA VAL 2 HA VAL 2 10.554 -7.276 -10.694 168 HB VAL 2 HB VAL 2 8.552 -7.161 -12.979 169 HG11 VAL 2 HG11 VAL 2 10.312 -5.807 -14.082 170 HG12 VAL 2 HG12 VAL 2 9.740 -5.025 -12.600 171 HG13 VAL 2 HG13 VAL 2 11.298 -5.889 -12.603 172 HG21 VAL 2 HG21 VAL 2 11.338 -8.420 -12.865 173 HG22 VAL 2 HG22 VAL 2 9.801 -9.285 -13.110 174 HG23 VAL 2 HG23 VAL 2 10.385 -8.167 -14.340 175 H LYS 3 H LYS 3 10.365 -5.555 -9.419 176 HA LYS 3 HA LYS 3 7.803 -4.224 -8.840 177 HB2 LYS 3 HB2 LYS 3 10.655 -3.397 -8.165 178 HB3 LYS 3 HB3 LYS 3 9.176 -2.644 -7.550 179 HG2 LYS 3 HG2 LYS 3 8.542 -4.747 -6.422 180 HG3 LYS 3 HG3 LYS 3 9.994 -5.541 -7.067 181 HD2 LYS 3 HD2 LYS 3 11.403 -3.835 -5.864 182 HD3 LYS 3 HD3 LYS 3 9.923 -3.207 -5.111 183 HE2 LYS 3 HE2 LYS 3 9.450 -5.466 -4.181 184 HE3 LYS 3 HE3 LYS 3 10.910 -6.093 -4.975 185 HZ1 LYS 3 HZ1 LYS 3 12.227 -4.587 -3.571 186 HZ2 LYS 3 HZ2 LYS 3 11.320 -5.567 -2.636 187 HZ3 LYS 3 HZ3 LYS 3 10.872 -4.012 -2.850 188 H GLN 4 H GLN 4 6.908 -2.705 -10.159 189 HA GLN 4 HA GLN 4 8.648 -1.231 -12.083 190 HB2 GLN 4 HB2 GLN 4 7.855 -3.553 -12.877 191 HB3 GLN 4 HB3 GLN 4 6.238 -2.852 -12.976 192 HG2 GLN 4 HG2 GLN 4 6.852 -1.433 -14.775 193 HG3 GLN 4 HG3 GLN 4 8.572 -1.512 -14.368 194 HE21 GLN 4 HE21 GLN 4 7.104 -4.884 -16.245 195 HE22 GLN 4 HE22 GLN 4 6.047 -4.066 -15.109 196 H HIS 5 H HIS 5 7.737 0.487 -13.196 197 HA HIS 5 HA HIS 5 5.556 1.910 -11.834 198 HB2 HIS 5 HB2 HIS 5 6.247 3.707 -13.532 199 HB3 HIS 5 HB3 HIS 5 7.342 3.340 -12.212 200 HD1 HIS 5 HD1 HIS 5 9.793 2.922 -12.857 201 HD2 HIS 5 HD2 HIS 5 7.061 2.294 -15.998 202 HE1 HIS 5 HE1 HIS 5 11.184 2.394 -14.919 203 H LEU 6 H LEU 6 3.526 2.000 -12.539 204 HA LEU 6 HA LEU 6 2.864 1.409 -15.384 205 HB2 LEU 6 HB2 LEU 6 1.560 -0.120 -13.108 206 HB3 LEU 6 HB3 LEU 6 1.410 -0.381 -14.820 207 HG LEU 6 HG LEU 6 4.009 -0.841 -13.410 208 HD11 LEU 6 HD11 LEU 6 2.330 -2.156 -12.323 209 HD12 LEU 6 HD12 LEU 6 3.432 -3.162 -13.270 210 HD13 LEU 6 HD13 LEU 6 1.802 -2.806 -13.891 211 HD21 LEU 6 HD21 LEU 6 4.031 -0.770 -15.990 212 HD22 LEU 6 HD22 LEU 6 2.980 -2.206 -15.913 213 HD23 LEU 6 HD23 LEU 6 4.602 -2.251 -15.221 214 H CYS 7 H CYS 7 1.195 2.457 -16.103 215 HA CYS 7 HA CYS 7 -0.734 3.817 -14.258 216 HB2 CYS 7 HB2 CYS 7 0.377 4.765 -16.919 217 HB3 CYS 7 HB3 CYS 7 -0.707 5.658 -15.852 218 H GLY 8 H GLY 8 -2.867 3.300 -14.696 219 HA2 GLY 8 HA2 GLY 8 -4.764 2.517 -15.771 220 HA3 GLY 8 HA3 GLY 8 -4.061 3.200 -17.233 221 H SER 9 H SER 9 -3.721 1.801 -18.863 222 HA SER 9 HA SER 9 -4.337 -0.942 -18.841 223 HB2 SER 9 HB2 SER 9 -2.414 0.547 -20.681 224 HB3 SER 9 HB3 SER 9 -3.269 -0.968 -21.062 225 HG SER 9 HG SER 9 -4.330 0.881 -21.947 226 H HIS 10 H HIS 10 -1.079 0.537 -18.406 227 HA HIS 10 HA HIS 10 0.367 -1.994 -18.408 228 HB2 HIS 10 HB2 HIS 10 0.969 0.682 -17.073 229 HB3 HIS 10 HB3 HIS 10 2.108 -0.636 -17.182 230 HD1 HIS 10 HD1 HIS 10 2.886 -1.192 -19.904 231 HD2 HIS 10 HD2 HIS 10 0.761 2.312 -18.991 232 HE1 HIS 10 HE1 HIS 10 3.174 0.354 -21.919 233 H LEU 11 H LEU 11 -1.332 -0.092 -15.976 234 HA LEU 11 HA LEU 11 -0.252 -1.439 -13.668 235 HB2 LEU 11 HB2 LEU 11 -1.411 0.940 -14.082 236 HB3 LEU 11 HB3 LEU 11 -2.888 0.045 -13.749 237 HG LEU 11 HG LEU 11 -0.515 0.544 -11.932 238 HD11 LEU 11 HD11 LEU 11 -2.464 1.396 -10.510 239 HD12 LEU 11 HD12 LEU 11 -3.468 1.260 -11.961 240 HD13 LEU 11 HD13 LEU 11 -2.056 2.347 -11.966 241 HD21 LEU 11 HD21 LEU 11 -1.839 -0.732 -10.196 242 HD22 LEU 11 HD22 LEU 11 -1.050 -1.682 -11.448 243 HD23 LEU 11 HD23 LEU 11 -2.807 -1.387 -11.553 244 H VAL 12 H VAL 12 -3.281 -1.608 -15.533 245 HA VAL 12 HA VAL 12 -4.398 -3.964 -14.315 246 HB VAL 12 HB VAL 12 -4.722 -2.812 -17.110 247 HG11 VAL 12 HG11 VAL 12 -6.170 -5.156 -15.824 248 HG12 VAL 12 HG12 VAL 12 -6.784 -4.259 -17.231 249 HG13 VAL 12 HG13 VAL 12 -5.269 -5.155 -17.361 250 HG21 VAL 12 HG21 VAL 12 -6.553 -2.867 -14.668 251 HG22 VAL 12 HG22 VAL 12 -5.631 -1.460 -15.235 252 HG23 VAL 12 HG23 VAL 12 -6.919 -2.119 -16.242 253 H GLU 13 H GLU 13 -1.757 -3.593 -16.758 254 HA GLU 13 HA GLU 13 -1.804 -6.363 -17.523 255 HB2 GLU 13 HB2 GLU 13 -0.685 -4.417 -18.748 256 HB3 GLU 13 HB3 GLU 13 0.655 -4.603 -17.606 257 HG2 GLU 13 HG2 GLU 13 1.037 -6.889 -18.350 258 HG3 GLU 13 HG3 GLU 13 -0.410 -6.840 -19.361 259 H ALA 14 H ALA 14 -0.558 -4.733 -14.658 260 HA ALA 14 HA ALA 14 0.791 -7.227 -13.715 261 HB1 ALA 14 HB1 ALA 14 0.370 -4.490 -12.457 262 HB2 ALA 14 HB2 ALA 14 1.215 -5.889 -11.710 263 HB3 ALA 14 HB3 ALA 14 1.862 -5.111 -13.184 264 H LEU 15 H LEU 15 -2.018 -5.165 -12.782 265 HA LEU 15 HA LEU 15 -3.158 -6.626 -10.806 266 HB2 LEU 15 HB2 LEU 15 -3.749 -4.417 -12.259 267 HB3 LEU 15 HB3 LEU 15 -4.882 -5.530 -13.035 268 HG LEU 15 HG LEU 15 -4.718 -4.746 -10.147 269 HD11 LEU 15 HD11 LEU 15 -6.986 -3.765 -10.659 270 HD12 LEU 15 HD12 LEU 15 -6.723 -4.185 -12.364 271 HD13 LEU 15 HD13 LEU 15 -5.669 -3.012 -11.570 272 HD21 LEU 15 HD21 LEU 15 -6.412 -6.803 -11.510 273 HD22 LEU 15 HD22 LEU 15 -6.836 -6.067 -9.946 274 HD23 LEU 15 HD23 LEU 15 -5.337 -6.947 -10.091 275 H TYR 16 H TYR 16 -3.729 -7.115 -14.252 276 HA TYR 16 HA TYR 16 -5.622 -9.257 -14.163 277 HB2 TYR 16 HB2 TYR 16 -5.073 -7.550 -15.961 278 HB3 TYR 16 HB3 TYR 16 -3.631 -8.470 -16.348 279 HD1 TYR 16 HD1 TYR 16 -4.411 -11.210 -16.783 280 HD2 TYR 16 HD2 TYR 16 -6.629 -7.576 -17.544 281 HE1 TYR 16 HE1 TYR 16 -5.784 -12.409 -18.440 282 HE2 TYR 16 HE2 TYR 16 -8.003 -8.796 -19.235 283 HH TYR 16 HH TYR 16 -8.406 -10.790 -20.288 284 H LEU 17 H LEU 17 -2.138 -9.240 -13.906 285 HA LEU 17 HA LEU 17 -1.794 -12.112 -14.501 286 HB2 LEU 17 HB2 LEU 17 -0.163 -10.326 -15.196 287 HB3 LEU 17 HB3 LEU 17 0.084 -9.888 -13.543 288 HG LEU 17 HG LEU 17 0.994 -12.017 -12.923 289 HD11 LEU 17 HD11 LEU 17 0.802 -12.700 -15.894 290 HD12 LEU 17 HD12 LEU 17 -0.025 -13.549 -14.563 291 HD13 LEU 17 HD13 LEU 17 1.727 -13.632 -14.696 292 HD21 LEU 17 HD21 LEU 17 2.367 -10.760 -15.335 293 HD22 LEU 17 HD22 LEU 17 3.162 -11.762 -14.090 294 HD23 LEU 17 HD23 LEU 17 2.466 -10.192 -13.659 295 H VAL 18 H VAL 18 -1.584 -9.776 -11.879 296 HA VAL 18 HA VAL 18 -0.833 -11.498 -9.731 297 HB VAL 18 HB VAL 18 -2.061 -8.687 -9.911 298 HG11 VAL 18 HG11 VAL 18 -1.219 -10.357 -7.521 299 HG12 VAL 18 HG12 VAL 18 -1.179 -8.590 -7.499 300 HG13 VAL 18 HG13 VAL 18 -2.707 -9.434 -7.780 301 HG21 VAL 18 HG21 VAL 18 0.253 -8.988 -10.829 302 HG22 VAL 18 HG22 VAL 18 0.362 -8.142 -9.303 303 HG23 VAL 18 HG23 VAL 18 0.692 -9.893 -9.429 304 H CYS 19 H CYS 19 -3.929 -10.395 -10.937 305 HA CYS 19 HA CYS 19 -5.431 -11.979 -8.925 306 HB2 CYS 19 HB2 CYS 19 -6.325 -10.322 -11.277 307 HB3 CYS 19 HB3 CYS 19 -7.412 -11.119 -10.121 308 H GLY 20 H GLY 20 -4.183 -12.374 -12.166 309 HA2 GLY 20 HA2 GLY 20 -4.270 -14.118 -13.659 310 HA3 GLY 20 HA3 GLY 20 -4.359 -15.150 -12.223 311 H GLU 21 H GLU 21 -6.560 -12.921 -13.931 312 HA GLU 21 HA GLU 21 -8.756 -12.889 -14.338 313 HB2 GLU 21 HB2 GLU 21 -8.036 -15.673 -15.220 314 HB3 GLU 21 HB3 GLU 21 -9.609 -14.931 -15.559 315 HG2 GLU 21 HG2 GLU 21 -8.466 -13.051 -16.709 316 HG3 GLU 21 HG3 GLU 21 -6.904 -13.826 -16.431 317 H ARG 22 H ARG 22 -8.070 -13.999 -11.459 318 HA ARG 22 HA ARG 22 -10.608 -15.166 -10.625 319 HB2 ARG 22 HB2 ARG 22 -8.499 -13.587 -9.088 320 HB3 ARG 22 HB3 ARG 22 -9.922 -14.303 -8.346 321 HG2 ARG 22 HG2 ARG 22 -9.269 -16.549 -8.976 322 HG3 ARG 22 HG3 ARG 22 -7.863 -15.963 -9.864 323 HD2 ARG 22 HD2 ARG 22 -8.306 -15.508 -6.887 324 HD3 ARG 22 HD3 ARG 22 -7.395 -16.873 -7.548 325 HE ARG 22 HE ARG 22 -6.203 -14.695 -8.736 326 HH11 ARG 22 HH11 ARG 22 -6.715 -15.449 -5.308 327 HH12 ARG 22 HH12 ARG 22 -5.260 -14.552 -4.874 328 HH21 ARG 22 HH21 ARG 22 -4.256 -13.675 -7.928 329 HH22 ARG 22 HH22 ARG 22 -4.063 -13.687 -6.190 330 H GLY 23 H GLY 23 -9.780 -12.020 -11.614 331 HA2 GLY 23 HA2 GLY 23 -11.368 -10.407 -12.254 332 HA3 GLY 23 HA3 GLY 23 -12.506 -10.972 -11.041 333 H PHE 24 H PHE 24 -11.853 -8.346 -11.492 334 HA PHE 24 HA PHE 24 -10.889 -7.121 -9.024 335 HB2 PHE 24 HB2 PHE 24 -8.957 -6.074 -10.079 336 HB3 PHE 24 HB3 PHE 24 -8.749 -7.803 -10.001 337 HD1 PHE 24 HD1 PHE 24 -8.874 -9.224 -12.036 338 HD2 PHE 24 HD2 PHE 24 -8.923 -4.917 -12.225 339 HE1 PHE 24 HE1 PHE 24 -8.275 -9.332 -14.426 340 HE2 PHE 24 HE2 PHE 24 -8.135 -5.021 -14.588 341 HZ PHE 24 HZ PHE 24 -7.887 -7.224 -15.707 342 H PHE 25 H PHE 25 -10.640 -4.707 -9.367 343 HA PHE 25 HA PHE 25 -11.582 -3.573 -11.869 344 HB2 PHE 25 HB2 PHE 25 -13.700 -3.715 -10.616 345 HB3 PHE 25 HB3 PHE 25 -12.966 -2.855 -9.264 346 HD1 PHE 25 HD1 PHE 25 -13.477 -2.500 -12.983 347 HD2 PHE 25 HD2 PHE 25 -13.199 -0.509 -9.178 348 HE1 PHE 25 HE1 PHE 25 -13.926 -0.318 -14.097 349 HE2 PHE 25 HE2 PHE 25 -13.655 1.675 -10.287 350 HZ PHE 25 HZ PHE 25 -14.017 1.769 -12.744 351 H TYR 26 H TYR 26 -10.576 -1.653 -12.299 352 HA TYR 26 HA TYR 26 -8.178 -1.152 -10.711 353 HB2 TYR 26 HB2 TYR 26 -7.612 0.263 -12.798 354 HB3 TYR 26 HB3 TYR 26 -7.623 -1.477 -12.864 355 HD1 TYR 26 HD1 TYR 26 -9.162 -2.733 -14.201 356 HD2 TYR 26 HD2 TYR 26 -9.522 1.550 -13.892 357 HE1 TYR 26 HE1 TYR 26 -10.813 -2.737 -16.074 358 HE2 TYR 26 HE2 TYR 26 -11.159 1.557 -15.765 359 HH TYR 26 HH TYR 26 -12.321 0.293 -17.281 360 H THR 27 H THR 27 -9.904 -0.312 -9.056 361 HA THR 27 HA THR 27 -11.108 2.174 -9.123 362 HB THR 27 HB THR 27 -9.764 0.943 -6.706 363 HG1 THR 27 HG1 THR 27 -11.708 -0.103 -6.437 364 HG21 THR 27 HG21 THR 27 -12.168 2.805 -6.998 365 HG22 THR 27 HG22 THR 27 -10.612 3.210 -6.233 366 HG23 THR 27 HG23 THR 27 -11.668 2.013 -5.486 367 HA PRO 28 HA PRO 28 -7.371 4.790 -8.885 368 HB2 PRO 28 HB2 PRO 28 -8.218 6.934 -10.258 369 HB3 PRO 28 HB3 PRO 28 -8.080 5.344 -11.062 370 HG2 PRO 28 HG2 PRO 28 -10.585 6.626 -9.903 371 HG3 PRO 28 HG3 PRO 28 -10.360 5.902 -11.526 372 HD2 PRO 28 HD2 PRO 28 -11.409 4.539 -9.328 373 HD3 PRO 28 HD3 PRO 28 -10.554 3.748 -10.686 374 H LYS 29 H LYS 29 -10.276 5.240 -7.190 375 HA LYS 29 HA LYS 29 -10.247 7.956 -6.447 376 HB2 LYS 29 HB2 LYS 29 -11.430 5.614 -4.895 377 HB3 LYS 29 HB3 LYS 29 -11.840 7.318 -4.705 378 HG2 LYS 29 HG2 LYS 29 -12.639 7.355 -7.104 379 HG3 LYS 29 HG3 LYS 29 -12.334 5.610 -7.176 380 HD2 LYS 29 HD2 LYS 29 -14.644 5.829 -6.724 381 HD3 LYS 29 HD3 LYS 29 -13.903 5.316 -5.214 382 HE2 LYS 29 HE2 LYS 29 -13.854 8.186 -5.228 383 HE3 LYS 29 HE3 LYS 29 -15.439 7.727 -5.848 384 HZ1 LYS 29 HZ1 LYS 29 -15.684 6.317 -3.825 385 HZ2 LYS 29 HZ2 LYS 29 -15.513 7.898 -3.460 386 HZ3 LYS 29 HZ3 LYS 29 -14.249 6.889 -3.250 387 H THR 30 H THR 30 -9.853 9.067 -4.549 388 HA THR 30 HA THR 30 -7.452 8.328 -3.034 389 HB THR 30 HB THR 30 -7.931 10.515 -1.868 390 HG1 THR 30 HG1 THR 30 -9.530 11.805 -2.813 391 HG21 THR 30 HG21 THR 30 -6.448 10.411 -3.849 392 HG22 THR 30 HG22 THR 30 -7.362 11.926 -3.786 393 HG23 THR 30 HG23 THR 30 -7.851 10.648 -4.919 394 H ARG 31 H ARG 31 -10.914 8.176 -2.514 395 HA ARG 31 HA ARG 31 -10.576 6.809 0.094 396 HB2 ARG 31 HB2 ARG 31 -10.863 9.204 0.610 397 HB3 ARG 31 HB3 ARG 31 -12.360 9.262 -0.318 398 HG2 ARG 31 HG2 ARG 31 -12.060 7.289 1.972 399 HG3 ARG 31 HG3 ARG 31 -12.349 8.989 2.323 400 HD2 ARG 31 HD2 ARG 31 -14.443 9.021 1.203 401 HD3 ARG 31 HD3 ARG 31 -14.202 7.450 0.466 402 HE ARG 31 HE ARG 31 -15.099 8.006 3.176 403 HH11 ARG 31 HH11 ARG 31 -15.790 6.345 4.453 404 HH12 ARG 31 HH12 ARG 31 -15.445 4.697 4.015 405 HH21 ARG 31 HH21 ARG 31 -13.688 5.460 1.156 406 HH22 ARG 31 HH22 ARG 31 -14.290 4.213 2.222 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -5.824 4.261 -3.066 2 H2 GLY 1 H2 GLY 1 -6.530 3.183 -4.091 3 H3 GLY 1 H3 GLY 1 -7.217 4.645 -3.848 4 HA2 GLY 1 HA2 GLY 1 -6.129 4.581 -5.988 5 HA3 GLY 1 HA3 GLY 1 -5.416 5.784 -4.912 6 H ILE 2 H ILE 2 -5.036 2.384 -6.079 7 HA ILE 2 HA ILE 2 -2.208 2.263 -5.243 8 HB ILE 2 HB ILE 2 -3.520 0.257 -5.266 9 HG12 ILE 2 HG12 ILE 2 -1.627 0.069 -7.654 10 HG13 ILE 2 HG13 ILE 2 -1.069 0.197 -5.972 11 HG21 ILE 2 HG21 ILE 2 -4.525 -0.654 -7.221 12 HG22 ILE 2 HG22 ILE 2 -5.151 0.969 -7.111 13 HG23 ILE 2 HG23 ILE 2 -3.869 0.647 -8.279 14 HD11 ILE 2 HD11 ILE 2 -1.022 -2.059 -6.644 15 HD12 ILE 2 HD12 ILE 2 -2.315 -1.900 -5.442 16 HD13 ILE 2 HD13 ILE 2 -2.721 -2.075 -7.164 17 H VAL 3 H VAL 3 -3.958 2.958 -8.276 18 HA VAL 3 HA VAL 3 -2.010 3.429 -10.108 19 HB VAL 3 HB VAL 3 -4.189 5.416 -9.414 20 HG11 VAL 3 HG11 VAL 3 -4.175 5.858 -11.860 21 HG12 VAL 3 HG12 VAL 3 -2.617 6.241 -11.131 22 HG13 VAL 3 HG13 VAL 3 -2.808 4.733 -12.054 23 HG21 VAL 3 HG21 VAL 3 -5.607 4.184 -11.043 24 HG22 VAL 3 HG22 VAL 3 -4.379 2.906 -11.145 25 HG23 VAL 3 HG23 VAL 3 -5.253 3.207 -9.624 26 H GLU 4 H GLU 4 -2.705 5.670 -7.387 27 HA GLU 4 HA GLU 4 -0.745 7.516 -8.282 28 HB2 GLU 4 HB2 GLU 4 -2.559 8.055 -6.669 29 HB3 GLU 4 HB3 GLU 4 -1.751 7.077 -5.436 30 HG2 GLU 4 HG2 GLU 4 0.192 8.578 -5.464 31 HG3 GLU 4 HG3 GLU 4 -0.503 9.499 -6.803 32 H GLN 5 H GLN 5 -0.504 4.664 -6.232 33 HA GLN 5 HA GLN 5 2.270 4.987 -5.448 34 HB2 GLN 5 HB2 GLN 5 0.043 3.072 -5.034 35 HB3 GLN 5 HB3 GLN 5 1.599 2.290 -5.153 36 HG2 GLN 5 HG2 GLN 5 1.008 4.616 -3.272 37 HG3 GLN 5 HG3 GLN 5 0.855 2.919 -2.824 38 HE21 GLN 5 HE21 GLN 5 3.088 5.558 -3.001 39 HE22 GLN 5 HE22 GLN 5 4.527 4.601 -2.696 40 H CYS 6 H CYS 6 0.698 2.918 -7.954 41 HA CYS 6 HA CYS 6 3.261 1.830 -8.690 42 HB2 CYS 6 HB2 CYS 6 1.087 0.593 -8.970 43 HB3 CYS 6 HB3 CYS 6 0.945 1.494 -10.508 44 H CYS 7 H CYS 7 1.108 4.320 -10.126 45 HA CYS 7 HA CYS 7 2.484 4.351 -12.624 46 HB2 CYS 7 HB2 CYS 7 0.117 5.010 -12.326 47 HB3 CYS 7 HB3 CYS 7 0.582 6.358 -11.321 48 H THR 8 H THR 8 2.797 6.286 -9.616 49 HA THR 8 HA THR 8 4.883 8.042 -10.786 50 HB THR 8 HB THR 8 4.836 9.343 -8.853 51 HG1 THR 8 HG1 THR 8 2.966 7.679 -7.568 52 HG21 THR 8 HG21 THR 8 2.528 10.059 -8.663 53 HG22 THR 8 HG22 THR 8 1.954 8.528 -9.366 54 HG23 THR 8 HG23 THR 8 2.904 9.664 -10.356 55 H SER 9 H SER 9 4.640 5.422 -8.369 56 HA SER 9 HA SER 9 7.627 5.410 -8.243 57 HB2 SER 9 HB2 SER 9 5.732 4.416 -6.111 58 HB3 SER 9 HB3 SER 9 7.490 4.295 -6.091 59 HG SER 9 HG SER 9 6.724 6.119 -4.926 60 H ILE 10 H ILE 10 6.428 2.548 -6.940 61 HA ILE 10 HA ILE 10 6.291 1.091 -9.466 62 HB ILE 10 HB ILE 10 8.067 -0.544 -8.716 63 HG12 ILE 10 HG12 ILE 10 8.891 1.728 -6.828 64 HG13 ILE 10 HG13 ILE 10 8.152 0.212 -6.333 65 HG21 ILE 10 HG21 ILE 10 9.210 2.207 -9.294 66 HG22 ILE 10 HG22 ILE 10 9.886 0.623 -9.723 67 HG23 ILE 10 HG23 ILE 10 8.410 1.193 -10.508 68 HD11 ILE 10 HD11 ILE 10 10.516 0.118 -5.936 69 HD12 ILE 10 HD12 ILE 10 10.131 -1.019 -7.236 70 HD13 ILE 10 HD13 ILE 10 10.886 0.547 -7.617 71 H CYS 11 H CYS 11 5.538 -1.086 -9.230 72 HA CYS 11 HA CYS 11 4.532 -1.898 -6.553 73 HB2 CYS 11 HB2 CYS 11 2.296 -2.174 -7.365 74 HB3 CYS 11 HB3 CYS 11 2.797 -0.520 -7.650 75 H SER 12 H SER 12 3.360 -4.023 -6.697 76 HA SER 12 HA SER 12 4.329 -6.119 -8.504 77 HB2 SER 12 HB2 SER 12 6.281 -5.773 -7.047 78 HB3 SER 12 HB3 SER 12 5.260 -5.848 -5.606 79 HG SER 12 HG SER 12 6.387 -7.823 -6.083 80 H LEU 13 H LEU 13 3.522 -8.364 -7.318 81 HA LEU 13 HA LEU 13 0.718 -8.144 -6.805 82 HB2 LEU 13 HB2 LEU 13 1.246 -10.498 -5.575 83 HB3 LEU 13 HB3 LEU 13 0.925 -10.295 -7.257 84 HG LEU 13 HG LEU 13 3.384 -10.272 -7.723 85 HD11 LEU 13 HD11 LEU 13 4.863 -11.223 -5.967 86 HD12 LEU 13 HD12 LEU 13 3.531 -11.158 -4.798 87 HD13 LEU 13 HD13 LEU 13 4.214 -9.660 -5.469 88 HD21 LEU 13 HD21 LEU 13 2.018 -12.287 -8.018 89 HD22 LEU 13 HD22 LEU 13 2.230 -12.711 -6.302 90 HD23 LEU 13 HD23 LEU 13 3.621 -12.711 -7.403 91 H TYR 14 H TYR 14 3.416 -7.721 -4.695 92 HA TYR 14 HA TYR 14 2.218 -7.803 -2.148 93 HB2 TYR 14 HB2 TYR 14 4.686 -7.070 -3.274 94 HB3 TYR 14 HB3 TYR 14 4.098 -5.566 -2.606 95 HD1 TYR 14 HD1 TYR 14 3.961 -5.268 -0.166 96 HD2 TYR 14 HD2 TYR 14 5.031 -9.073 -1.888 97 HE1 TYR 14 HE1 TYR 14 4.722 -6.063 2.074 98 HE2 TYR 14 HE2 TYR 14 5.775 -9.879 0.362 99 HH TYR 14 HH TYR 14 5.612 -7.797 3.275 100 H GLN 15 H GLN 15 1.605 -5.532 -4.758 101 HA GLN 15 HA GLN 15 -0.075 -3.844 -2.947 102 HB2 GLN 15 HB2 GLN 15 1.058 -3.052 -5.642 103 HB3 GLN 15 HB3 GLN 15 0.165 -2.066 -4.471 104 HG2 GLN 15 HG2 GLN 15 2.148 -2.750 -2.856 105 HG3 GLN 15 HG3 GLN 15 3.026 -3.052 -4.344 106 HE21 GLN 15 HE21 GLN 15 3.410 -0.907 -2.231 107 HE22 GLN 15 HE22 GLN 15 3.275 0.603 -3.130 108 H LEU 16 H LEU 16 0.132 -5.302 -6.242 109 HA LEU 16 HA LEU 16 -2.480 -4.553 -7.094 110 HB2 LEU 16 HB2 LEU 16 -0.531 -6.679 -7.963 111 HB3 LEU 16 HB3 LEU 16 -2.109 -6.441 -8.752 112 HG LEU 16 HG LEU 16 -0.224 -5.569 -9.971 113 HD11 LEU 16 HD11 LEU 16 -2.025 -3.307 -9.153 114 HD12 LEU 16 HD12 LEU 16 -2.688 -4.708 -9.998 115 HD13 LEU 16 HD13 LEU 16 -1.448 -3.747 -10.781 116 HD21 LEU 16 HD21 LEU 16 -0.052 -3.575 -7.735 117 HD22 LEU 16 HD22 LEU 16 0.447 -3.240 -9.387 118 HD23 LEU 16 HD23 LEU 16 1.254 -4.537 -8.491 119 H GLU 17 H GLU 17 -1.526 -7.451 -5.204 120 HA GLU 17 HA GLU 17 -3.922 -8.867 -6.002 121 HB2 GLU 17 HB2 GLU 17 -1.618 -9.775 -5.161 122 HB3 GLU 17 HB3 GLU 17 -2.377 -9.633 -3.550 123 HG2 GLU 17 HG2 GLU 17 -4.328 -10.995 -4.587 124 HG3 GLU 17 HG3 GLU 17 -3.290 -11.194 -6.007 125 H ASN 18 H ASN 18 -3.626 -6.223 -4.206 126 HA ASN 18 HA ASN 18 -5.923 -6.617 -2.375 127 HB2 ASN 18 HB2 ASN 18 -4.331 -4.139 -3.199 128 HB3 ASN 18 HB3 ASN 18 -5.689 -4.103 -2.118 129 HD21 ASN 18 HD21 ASN 18 -2.329 -4.802 -2.416 130 HD22 ASN 18 HD22 ASN 18 -2.050 -5.267 -0.734 131 H TYR 19 H TYR 19 -5.466 -5.841 -5.805 132 HA TYR 19 HA TYR 19 -7.933 -4.187 -5.944 133 HB2 TYR 19 HB2 TYR 19 -5.976 -5.399 -7.891 134 HB3 TYR 19 HB3 TYR 19 -7.536 -4.851 -8.444 135 HD1 TYR 19 HD1 TYR 19 -8.187 -2.346 -7.651 136 HD2 TYR 19 HD2 TYR 19 -4.293 -4.021 -8.243 137 HE1 TYR 19 HE1 TYR 19 -7.460 -0.257 -8.879 138 HE2 TYR 19 HE2 TYR 19 -3.703 -2.219 -9.783 139 HH TYR 19 HH TYR 19 -6.006 0.533 -10.458 140 H CYS 20 H CYS 20 -6.957 -7.580 -6.439 141 HA CYS 20 HA CYS 20 -9.027 -8.394 -7.978 142 HB2 CYS 20 HB2 CYS 20 -8.021 -10.130 -5.738 143 HB3 CYS 20 HB3 CYS 20 -8.606 -10.608 -7.353 144 H ASN 21 H ASN 21 -11.089 -9.407 -7.624 145 HA ASN 21 HA ASN 21 -12.490 -8.142 -5.427 146 HB2 ASN 21 HB2 ASN 21 -14.547 -9.267 -6.398 147 HB3 ASN 21 HB3 ASN 21 -13.684 -8.149 -7.442 148 HD21 ASN 21 HD21 ASN 21 -13.031 -12.033 -8.543 149 HD22 ASN 21 HD22 ASN 21 -12.851 -11.605 -6.846 150 H SER 22 H SER 22 -13.331 -8.935 -3.598 151 HA SER 22 HA SER 22 -12.858 -11.791 -2.823 152 HB2 SER 22 HB2 SER 22 -12.370 -9.308 -1.126 153 HB3 SER 22 HB3 SER 22 -12.287 -10.980 -0.557 154 HG SER 22 HG SER 22 -10.698 -9.829 -2.642 155 H1 PHE 1 H1 PHE 1 9.415 -11.547 -7.548 156 H2 PHE 1 H2 PHE 1 10.018 -12.151 -8.939 157 H3 PHE 1 H3 PHE 1 8.795 -12.926 -8.177 158 HA PHE 1 HA PHE 1 7.970 -11.739 -10.105 159 HB2 PHE 1 HB2 PHE 1 6.604 -12.008 -7.933 160 HB3 PHE 1 HB3 PHE 1 6.995 -10.331 -7.588 161 HD1 PHE 1 HD1 PHE 1 5.099 -12.648 -9.746 162 HD2 PHE 1 HD2 PHE 1 5.985 -8.501 -8.946 163 HE1 PHE 1 HE1 PHE 1 3.106 -11.966 -11.055 164 HE2 PHE 1 HE2 PHE 1 3.997 -7.830 -10.270 165 HZ PHE 1 HZ PHE 1 2.536 -9.559 -11.288 166 H VAL 2 H VAL 2 7.552 -9.711 -11.167 167 HA VAL 2 HA VAL 2 9.941 -8.022 -10.995 168 HB VAL 2 HB VAL 2 9.280 -9.020 -13.087 169 HG11 VAL 2 HG11 VAL 2 6.806 -8.926 -12.957 170 HG12 VAL 2 HG12 VAL 2 6.873 -7.161 -13.135 171 HG13 VAL 2 HG13 VAL 2 7.436 -8.208 -14.445 172 HG21 VAL 2 HG21 VAL 2 9.183 -5.988 -13.161 173 HG22 VAL 2 HG22 VAL 2 10.641 -6.996 -13.045 174 HG23 VAL 2 HG23 VAL 2 9.623 -7.075 -14.491 175 H LYS 3 H LYS 3 10.101 -6.093 -10.114 176 HA LYS 3 HA LYS 3 7.725 -4.535 -9.302 177 HB2 LYS 3 HB2 LYS 3 10.701 -3.997 -8.995 178 HB3 LYS 3 HB3 LYS 3 9.398 -2.989 -8.347 179 HG2 LYS 3 HG2 LYS 3 8.570 -4.870 -6.984 180 HG3 LYS 3 HG3 LYS 3 9.864 -5.918 -7.581 181 HD2 LYS 3 HD2 LYS 3 10.262 -3.353 -5.986 182 HD3 LYS 3 HD3 LYS 3 10.330 -5.006 -5.348 183 HE2 LYS 3 HE2 LYS 3 12.223 -5.513 -6.875 184 HE3 LYS 3 HE3 LYS 3 12.197 -3.842 -7.460 185 HZ1 LYS 3 HZ1 LYS 3 12.711 -3.101 -5.202 186 HZ2 LYS 3 HZ2 LYS 3 13.854 -4.142 -5.707 187 HZ3 LYS 3 HZ3 LYS 3 12.721 -4.639 -4.642 188 H GLN 4 H GLN 4 6.854 -2.940 -10.486 189 HA GLN 4 HA GLN 4 8.385 -1.733 -12.758 190 HB2 GLN 4 HB2 GLN 4 5.565 -2.857 -12.941 191 HB3 GLN 4 HB3 GLN 4 6.471 -2.067 -14.236 192 HG2 GLN 4 HG2 GLN 4 8.098 -3.937 -14.227 193 HG3 GLN 4 HG3 GLN 4 7.118 -4.739 -12.977 194 HE21 GLN 4 HE21 GLN 4 4.853 -5.327 -13.544 195 HE22 GLN 4 HE22 GLN 4 4.479 -5.641 -15.234 196 H HIS 5 H HIS 5 7.572 0.216 -13.574 197 HA HIS 5 HA HIS 5 5.690 1.741 -11.851 198 HB2 HIS 5 HB2 HIS 5 6.391 3.631 -13.428 199 HB3 HIS 5 HB3 HIS 5 7.552 3.068 -12.230 200 HD1 HIS 5 HD1 HIS 5 9.921 2.589 -13.090 201 HD2 HIS 5 HD2 HIS 5 6.939 2.411 -16.056 202 HE1 HIS 5 HE1 HIS 5 11.132 2.190 -15.298 203 H LEU 6 H LEU 6 3.584 1.995 -12.487 204 HA LEU 6 HA LEU 6 2.857 1.476 -15.337 205 HB2 LEU 6 HB2 LEU 6 1.585 -0.092 -13.084 206 HB3 LEU 6 HB3 LEU 6 1.371 -0.321 -14.783 207 HG LEU 6 HG LEU 6 3.992 -0.868 -13.430 208 HD11 LEU 6 HD11 LEU 6 3.341 -3.186 -13.367 209 HD12 LEU 6 HD12 LEU 6 1.742 -2.795 -14.017 210 HD13 LEU 6 HD13 LEU 6 2.212 -2.213 -12.425 211 HD21 LEU 6 HD21 LEU 6 4.480 -2.263 -15.329 212 HD22 LEU 6 HD22 LEU 6 3.966 -0.720 -16.019 213 HD23 LEU 6 HD23 LEU 6 2.852 -2.112 -15.963 214 H CYS 7 H CYS 7 1.170 2.526 -16.025 215 HA CYS 7 HA CYS 7 -0.656 3.941 -14.123 216 HB2 CYS 7 HB2 CYS 7 0.304 4.795 -16.868 217 HB3 CYS 7 HB3 CYS 7 -0.685 5.739 -15.764 218 H GLY 8 H GLY 8 -2.752 3.234 -14.315 219 HA2 GLY 8 HA2 GLY 8 -4.750 2.503 -15.222 220 HA3 GLY 8 HA3 GLY 8 -4.213 3.269 -16.716 221 H SER 9 H SER 9 -3.951 1.953 -18.446 222 HA SER 9 HA SER 9 -4.548 -0.784 -18.567 223 HB2 SER 9 HB2 SER 9 -2.722 0.852 -20.386 224 HB3 SER 9 HB3 SER 9 -3.540 -0.662 -20.824 225 HG SER 9 HG SER 9 -4.707 1.169 -21.559 226 H HIS 10 H HIS 10 -1.294 0.701 -18.162 227 HA HIS 10 HA HIS 10 0.160 -1.833 -18.326 228 HB2 HIS 10 HB2 HIS 10 0.824 0.813 -16.968 229 HB3 HIS 10 HB3 HIS 10 1.959 -0.499 -17.133 230 HD1 HIS 10 HD1 HIS 10 2.616 -1.029 -19.899 231 HD2 HIS 10 HD2 HIS 10 0.588 2.484 -18.829 232 HE1 HIS 10 HE1 HIS 10 2.839 0.546 -21.897 233 H LEU 11 H LEU 11 -1.437 -0.026 -15.728 234 HA LEU 11 HA LEU 11 -0.251 -1.544 -13.585 235 HB2 LEU 11 HB2 LEU 11 -1.696 0.836 -13.806 236 HB3 LEU 11 HB3 LEU 11 -2.886 -0.240 -13.090 237 HG LEU 11 HG LEU 11 -0.137 0.485 -12.039 238 HD11 LEU 11 HD11 LEU 11 -1.411 1.415 -10.178 239 HD12 LEU 11 HD12 LEU 11 -2.929 0.902 -10.944 240 HD13 LEU 11 HD13 LEU 11 -1.922 2.131 -11.736 241 HD21 LEU 11 HD21 LEU 11 -0.391 -1.799 -11.398 242 HD22 LEU 11 HD22 LEU 11 -2.094 -1.522 -10.973 243 HD23 LEU 11 HD23 LEU 11 -0.791 -0.825 -9.985 244 H VAL 12 H VAL 12 -3.308 -1.627 -15.366 245 HA VAL 12 HA VAL 12 -4.374 -4.031 -14.243 246 HB VAL 12 HB VAL 12 -4.738 -2.834 -17.015 247 HG11 VAL 12 HG11 VAL 12 -6.130 -5.231 -15.767 248 HG12 VAL 12 HG12 VAL 12 -6.777 -4.316 -17.153 249 HG13 VAL 12 HG13 VAL 12 -5.243 -5.174 -17.308 250 HG21 VAL 12 HG21 VAL 12 -6.954 -2.210 -16.088 251 HG22 VAL 12 HG22 VAL 12 -6.500 -2.966 -14.543 252 HG23 VAL 12 HG23 VAL 12 -5.648 -1.520 -15.121 253 H GLU 13 H GLU 13 -1.745 -3.574 -16.700 254 HA GLU 13 HA GLU 13 -1.765 -6.340 -17.510 255 HB2 GLU 13 HB2 GLU 13 -0.691 -4.351 -18.707 256 HB3 GLU 13 HB3 GLU 13 0.666 -4.545 -17.587 257 HG2 GLU 13 HG2 GLU 13 1.050 -6.823 -18.378 258 HG3 GLU 13 HG3 GLU 13 -0.394 -6.753 -19.392 259 H ALA 14 H ALA 14 -0.574 -4.755 -14.623 260 HA ALA 14 HA ALA 14 0.823 -7.224 -13.687 261 HB1 ALA 14 HB1 ALA 14 1.852 -5.088 -13.128 262 HB2 ALA 14 HB2 ALA 14 0.353 -4.499 -12.416 263 HB3 ALA 14 HB3 ALA 14 1.201 -5.890 -11.662 264 H LEU 15 H LEU 15 -2.054 -5.237 -12.800 265 HA LEU 15 HA LEU 15 -3.172 -6.734 -10.821 266 HB2 LEU 15 HB2 LEU 15 -3.808 -4.532 -12.237 267 HB3 LEU 15 HB3 LEU 15 -4.901 -5.660 -13.062 268 HG LEU 15 HG LEU 15 -4.824 -4.916 -10.162 269 HD11 LEU 15 HD11 LEU 15 -5.802 -3.223 -11.595 270 HD12 LEU 15 HD12 LEU 15 -7.112 -4.039 -10.726 271 HD13 LEU 15 HD13 LEU 15 -6.765 -4.443 -12.432 272 HD21 LEU 15 HD21 LEU 15 -6.833 -6.331 -9.946 273 HD22 LEU 15 HD22 LEU 15 -5.318 -7.159 -10.153 274 HD23 LEU 15 HD23 LEU 15 -6.419 -7.023 -11.547 275 H TYR 16 H TYR 16 -3.730 -7.169 -14.278 276 HA TYR 16 HA TYR 16 -5.575 -9.333 -14.262 277 HB2 TYR 16 HB2 TYR 16 -4.962 -7.594 -16.041 278 HB3 TYR 16 HB3 TYR 16 -3.541 -8.557 -16.418 279 HD1 TYR 16 HD1 TYR 16 -4.393 -11.272 -16.800 280 HD2 TYR 16 HD2 TYR 16 -6.523 -7.604 -17.621 281 HE1 TYR 16 HE1 TYR 16 -5.843 -12.495 -18.362 282 HE2 TYR 16 HE2 TYR 16 -7.970 -8.831 -19.251 283 HH TYR 16 HH TYR 16 -8.479 -10.863 -20.209 284 H LEU 17 H LEU 17 -2.066 -9.269 -13.951 285 HA LEU 17 HA LEU 17 -1.701 -12.130 -14.550 286 HB2 LEU 17 HB2 LEU 17 -0.090 -10.343 -15.227 287 HB3 LEU 17 HB3 LEU 17 0.146 -9.887 -13.575 288 HG LEU 17 HG LEU 17 1.100 -11.971 -12.931 289 HD11 LEU 17 HD11 LEU 17 0.877 -12.746 -15.883 290 HD12 LEU 17 HD12 LEU 17 0.079 -13.562 -14.513 291 HD13 LEU 17 HD13 LEU 17 1.833 -13.624 -14.668 292 HD21 LEU 17 HD21 LEU 17 2.541 -10.134 -13.775 293 HD22 LEU 17 HD22 LEU 17 2.438 -10.800 -15.418 294 HD23 LEU 17 HD23 LEU 17 3.244 -11.726 -14.129 295 H VAL 18 H VAL 18 -1.596 -9.825 -11.908 296 HA VAL 18 HA VAL 18 -0.797 -11.526 -9.769 297 HB VAL 18 HB VAL 18 -2.079 -8.749 -9.953 298 HG11 VAL 18 HG11 VAL 18 -1.314 -8.666 -7.492 299 HG12 VAL 18 HG12 VAL 18 -2.818 -9.526 -7.838 300 HG13 VAL 18 HG13 VAL 18 -1.312 -10.427 -7.530 301 HG21 VAL 18 HG21 VAL 18 0.700 -9.881 -9.282 302 HG22 VAL 18 HG22 VAL 18 0.284 -9.056 -10.747 303 HG23 VAL 18 HG23 VAL 18 0.285 -8.157 -9.243 304 H CYS 19 H CYS 19 -3.964 -10.634 -11.054 305 HA CYS 19 HA CYS 19 -5.356 -12.230 -8.963 306 HB2 CYS 19 HB2 CYS 19 -6.328 -10.643 -11.337 307 HB3 CYS 19 HB3 CYS 19 -7.376 -11.452 -10.145 308 H GLY 20 H GLY 20 -4.153 -12.392 -12.201 309 HA2 GLY 20 HA2 GLY 20 -3.789 -14.044 -13.711 310 HA3 GLY 20 HA3 GLY 20 -4.351 -15.222 -12.518 311 H GLU 21 H GLU 21 -6.732 -14.769 -12.079 312 HA GLU 21 HA GLU 21 -8.504 -14.604 -14.456 313 HB2 GLU 21 HB2 GLU 21 -8.107 -17.216 -12.926 314 HB3 GLU 21 HB3 GLU 21 -9.411 -16.911 -14.069 315 HG2 GLU 21 HG2 GLU 21 -7.695 -16.511 -15.868 316 HG3 GLU 21 HG3 GLU 21 -6.452 -17.038 -14.735 317 H ARG 22 H ARG 22 -8.076 -14.422 -11.043 318 HA ARG 22 HA ARG 22 -10.648 -15.176 -10.095 319 HB2 ARG 22 HB2 ARG 22 -8.449 -13.423 -8.931 320 HB3 ARG 22 HB3 ARG 22 -9.889 -13.896 -8.024 321 HG2 ARG 22 HG2 ARG 22 -9.371 -16.255 -8.254 322 HG3 ARG 22 HG3 ARG 22 -7.967 -15.920 -9.273 323 HD2 ARG 22 HD2 ARG 22 -8.242 -14.868 -6.429 324 HD3 ARG 22 HD3 ARG 22 -7.518 -16.440 -6.818 325 HE ARG 22 HE ARG 22 -6.149 -14.655 -8.438 326 HH11 ARG 22 HH11 ARG 22 -6.524 -15.023 -4.925 327 HH12 ARG 22 HH12 ARG 22 -4.928 -14.323 -4.654 328 HH21 ARG 22 HH21 ARG 22 -4.060 -13.754 -7.820 329 HH22 ARG 22 HH22 ARG 22 -3.715 -13.756 -6.103 330 H GLY 23 H GLY 23 -9.672 -12.133 -11.456 331 HA2 GLY 23 HA2 GLY 23 -11.194 -10.514 -12.305 332 HA3 GLY 23 HA3 GLY 23 -12.435 -11.046 -11.179 333 H PHE 24 H PHE 24 -11.745 -8.415 -11.591 334 HA PHE 24 HA PHE 24 -10.875 -7.265 -9.042 335 HB2 PHE 24 HB2 PHE 24 -8.988 -6.081 -10.132 336 HB3 PHE 24 HB3 PHE 24 -8.730 -7.804 -9.992 337 HD1 PHE 24 HD1 PHE 24 -8.741 -9.304 -11.968 338 HD2 PHE 24 HD2 PHE 24 -9.029 -5.022 -12.301 339 HE1 PHE 24 HE1 PHE 24 -8.084 -9.450 -14.358 340 HE2 PHE 24 HE2 PHE 24 -8.181 -5.155 -14.663 341 HZ PHE 24 HZ PHE 24 -7.785 -7.366 -15.691 342 H PHE 25 H PHE 25 -10.798 -4.836 -9.199 343 HA PHE 25 HA PHE 25 -12.930 -3.862 -11.038 344 HB2 PHE 25 HB2 PHE 25 -11.900 -2.398 -8.609 345 HB3 PHE 25 HB3 PHE 25 -13.465 -2.262 -9.389 346 HD1 PHE 25 HD1 PHE 25 -14.942 -4.488 -9.360 347 HD2 PHE 25 HD2 PHE 25 -11.739 -3.582 -6.625 348 HE1 PHE 25 HE1 PHE 25 -15.911 -6.072 -7.709 349 HE2 PHE 25 HE2 PHE 25 -12.702 -5.165 -4.971 350 HZ PHE 25 HZ PHE 25 -14.799 -6.404 -5.505 351 H TYR 26 H TYR 26 -9.600 -3.363 -10.443 352 HA TYR 26 HA TYR 26 -8.063 -1.804 -10.926 353 HB2 TYR 26 HB2 TYR 26 -7.833 -1.144 -13.246 354 HB3 TYR 26 HB3 TYR 26 -8.194 -2.837 -13.015 355 HD1 TYR 26 HD1 TYR 26 -10.139 -3.878 -13.869 356 HD2 TYR 26 HD2 TYR 26 -9.621 0.387 -14.188 357 HE1 TYR 26 HE1 TYR 26 -12.145 -3.752 -15.345 358 HE2 TYR 26 HE2 TYR 26 -11.616 0.526 -15.672 359 HH TYR 26 HH TYR 26 -13.513 -2.378 -16.591 360 H THR 27 H THR 27 -10.538 -0.581 -9.607 361 HA THR 27 HA THR 27 -10.831 2.020 -10.801 362 HB THR 27 HB THR 27 -12.122 2.563 -8.710 363 HG1 THR 27 HG1 THR 27 -12.578 0.672 -7.407 364 HG21 THR 27 HG21 THR 27 -13.998 1.097 -9.160 365 HG22 THR 27 HG22 THR 27 -12.954 -0.059 -10.002 366 HG23 THR 27 HG23 THR 27 -13.233 1.552 -10.691 367 HA PRO 28 HA PRO 28 -7.706 4.362 -8.544 368 HB2 PRO 28 HB2 PRO 28 -8.868 6.844 -8.417 369 HB3 PRO 28 HB3 PRO 28 -8.177 6.143 -9.921 370 HG2 PRO 28 HG2 PRO 28 -11.085 6.136 -9.027 371 HG3 PRO 28 HG3 PRO 28 -10.419 6.638 -10.618 372 HD2 PRO 28 HD2 PRO 28 -11.434 4.158 -10.237 373 HD3 PRO 28 HD3 PRO 28 -9.976 4.388 -11.234 374 H LYS 29 H LYS 29 -11.007 3.978 -7.403 375 HA LYS 29 HA LYS 29 -10.442 4.727 -4.627 376 HB2 LYS 29 HB2 LYS 29 -12.680 4.824 -5.758 377 HB3 LYS 29 HB3 LYS 29 -12.738 3.058 -5.726 378 HG2 LYS 29 HG2 LYS 29 -12.754 3.054 -3.281 379 HG3 LYS 29 HG3 LYS 29 -12.322 4.759 -3.230 380 HD2 LYS 29 HD2 LYS 29 -14.664 4.563 -2.691 381 HD3 LYS 29 HD3 LYS 29 -14.480 5.386 -4.232 382 HE2 LYS 29 HE2 LYS 29 -16.282 3.927 -4.568 383 HE3 LYS 29 HE3 LYS 29 -14.925 3.130 -5.379 384 HZ1 LYS 29 HZ1 LYS 29 -16.234 1.598 -3.990 385 HZ2 LYS 29 HZ2 LYS 29 -15.884 2.456 -2.644 386 HZ3 LYS 29 HZ3 LYS 29 -14.701 1.661 -3.457 387 H THR 30 H THR 30 -10.032 1.832 -6.528 388 HA THR 30 HA THR 30 -8.927 -0.073 -6.234 389 HB THR 30 HB THR 30 -7.778 1.042 -3.669 390 HG1 THR 30 HG1 THR 30 -7.405 1.711 -6.355 391 HG21 THR 30 HG21 THR 30 -6.605 -0.808 -5.779 392 HG22 THR 30 HG22 THR 30 -7.031 -1.240 -4.104 393 HG23 THR 30 HG23 THR 30 -5.717 -0.099 -4.405 394 H ARG 31 H ARG 31 -11.018 0.768 -3.602 395 HA ARG 31 HA ARG 31 -11.511 -2.115 -3.004 396 HB2 ARG 31 HB2 ARG 31 -10.284 -0.883 -1.150 397 HB3 ARG 31 HB3 ARG 31 -11.628 0.246 -1.095 398 HG2 ARG 31 HG2 ARG 31 -12.114 -1.133 0.666 399 HG3 ARG 31 HG3 ARG 31 -13.112 -1.864 -0.578 400 HD2 ARG 31 HD2 ARG 31 -10.378 -2.830 0.383 401 HD3 ARG 31 HD3 ARG 31 -11.930 -3.507 0.836 402 HE ARG 31 HE ARG 31 -12.241 -4.424 -1.336 403 HH11 ARG 31 HH11 ARG 31 -9.022 -3.004 -1.060 404 HH12 ARG 31 HH12 ARG 31 -8.425 -4.031 -2.360 405 HH21 ARG 31 HH21 ARG 31 -11.287 -5.704 -2.912 406 HH22 ARG 31 HH22 ARG 31 -9.599 -5.442 -3.300 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -5.828 6.802 -5.471 2 H2 GLY 1 H2 GLY 1 -5.657 6.499 -3.864 3 H3 GLY 1 H3 GLY 1 -7.153 6.604 -4.532 4 HA2 GLY 1 HA2 GLY 1 -6.607 4.295 -4.110 5 HA3 GLY 1 HA3 GLY 1 -6.798 4.622 -5.840 6 H ILE 2 H ILE 2 -5.491 2.584 -5.997 7 HA ILE 2 HA ILE 2 -2.781 2.527 -4.915 8 HB ILE 2 HB ILE 2 -4.007 0.498 -4.930 9 HG12 ILE 2 HG12 ILE 2 -2.089 0.248 -7.274 10 HG13 ILE 2 HG13 ILE 2 -1.539 0.429 -5.600 11 HG21 ILE 2 HG21 ILE 2 -5.668 0.982 -6.681 12 HG22 ILE 2 HG22 ILE 2 -4.400 0.933 -7.928 13 HG23 ILE 2 HG23 ILE 2 -4.866 -0.525 -6.991 14 HD11 ILE 2 HD11 ILE 2 -3.114 -1.929 -6.732 15 HD12 ILE 2 HD12 ILE 2 -1.407 -1.871 -6.266 16 HD13 ILE 2 HD13 ILE 2 -2.674 -1.707 -5.028 17 H VAL 3 H VAL 3 -4.126 2.963 -8.187 18 HA VAL 3 HA VAL 3 -2.097 3.388 -9.869 19 HB VAL 3 HB VAL 3 -4.194 5.534 -9.369 20 HG11 VAL 3 HG11 VAL 3 -4.169 5.772 -11.818 21 HG12 VAL 3 HG12 VAL 3 -2.564 6.054 -11.153 22 HG13 VAL 3 HG13 VAL 3 -2.930 4.514 -11.945 23 HG21 VAL 3 HG21 VAL 3 -5.466 3.429 -9.358 24 HG22 VAL 3 HG22 VAL 3 -5.742 4.303 -10.851 25 HG23 VAL 3 HG23 VAL 3 -4.651 2.913 -10.849 26 H GLU 4 H GLU 4 -2.832 5.647 -7.214 27 HA GLU 4 HA GLU 4 -1.003 7.631 -8.116 28 HB2 GLU 4 HB2 GLU 4 -2.813 7.998 -6.440 29 HB3 GLU 4 HB3 GLU 4 -1.895 7.047 -5.256 30 HG2 GLU 4 HG2 GLU 4 -0.062 8.690 -5.325 31 HG3 GLU 4 HG3 GLU 4 -0.890 9.596 -6.597 32 H GLN 5 H GLN 5 -0.544 4.746 -6.144 33 HA GLN 5 HA GLN 5 2.274 5.227 -5.522 34 HB2 GLN 5 HB2 GLN 5 0.447 3.831 -4.213 35 HB3 GLN 5 HB3 GLN 5 0.800 2.575 -5.348 36 HG2 GLN 5 HG2 GLN 5 2.117 2.199 -3.372 37 HG3 GLN 5 HG3 GLN 5 3.205 2.603 -4.711 38 HE21 GLN 5 HE21 GLN 5 1.559 4.051 -1.815 39 HE22 GLN 5 HE22 GLN 5 2.821 5.246 -1.552 40 H CYS 6 H CYS 6 0.448 2.985 -7.609 41 HA CYS 6 HA CYS 6 2.812 1.725 -8.632 42 HB2 CYS 6 HB2 CYS 6 0.006 1.545 -9.696 43 HB3 CYS 6 HB3 CYS 6 1.367 0.496 -10.124 44 H CYS 7 H CYS 7 0.969 4.432 -9.983 45 HA CYS 7 HA CYS 7 2.383 4.211 -12.543 46 HB2 CYS 7 HB2 CYS 7 0.038 4.918 -12.420 47 HB3 CYS 7 HB3 CYS 7 0.423 6.222 -11.338 48 H THR 8 H THR 8 2.753 6.139 -9.536 49 HA THR 8 HA THR 8 4.926 7.758 -10.764 50 HB THR 8 HB THR 8 4.886 9.184 -8.922 51 HG1 THR 8 HG1 THR 8 2.861 7.757 -7.596 52 HG21 THR 8 HG21 THR 8 1.988 8.500 -9.515 53 HG22 THR 8 HG22 THR 8 3.056 9.489 -10.547 54 HG23 THR 8 HG23 THR 8 2.628 10.046 -8.914 55 H SER 9 H SER 9 4.486 5.318 -8.238 56 HA SER 9 HA SER 9 7.445 5.047 -8.052 57 HB2 SER 9 HB2 SER 9 6.473 5.810 -5.936 58 HB3 SER 9 HB3 SER 9 5.428 4.372 -5.886 59 HG SER 9 HG SER 9 7.417 4.246 -4.656 60 H ILE 10 H ILE 10 6.903 2.450 -6.655 61 HA ILE 10 HA ILE 10 6.433 0.831 -9.104 62 HB ILE 10 HB ILE 10 8.318 -0.601 -8.297 63 HG12 ILE 10 HG12 ILE 10 8.660 1.696 -6.296 64 HG13 ILE 10 HG13 ILE 10 8.420 -0.007 -5.952 65 HG21 ILE 10 HG21 ILE 10 9.993 0.807 -9.293 66 HG22 ILE 10 HG22 ILE 10 8.455 1.103 -10.114 67 HG23 ILE 10 HG23 ILE 10 9.066 2.278 -8.925 68 HD11 ILE 10 HD11 ILE 10 10.691 -0.415 -7.008 69 HD12 ILE 10 HD12 ILE 10 10.857 1.368 -7.117 70 HD13 ILE 10 HD13 ILE 10 10.695 0.603 -5.537 71 H CYS 11 H CYS 11 5.607 -1.144 -9.053 72 HA CYS 11 HA CYS 11 4.484 -2.219 -6.516 73 HB2 CYS 11 HB2 CYS 11 2.965 -1.426 -9.022 74 HB3 CYS 11 HB3 CYS 11 2.315 -2.495 -7.789 75 H SER 12 H SER 12 3.500 -4.286 -6.739 76 HA SER 12 HA SER 12 4.125 -6.152 -8.908 77 HB2 SER 12 HB2 SER 12 5.439 -7.631 -7.466 78 HB3 SER 12 HB3 SER 12 6.234 -6.045 -7.546 79 HG SER 12 HG SER 12 6.140 -6.708 -5.395 80 H LEU 13 H LEU 13 3.548 -8.552 -7.479 81 HA LEU 13 HA LEU 13 0.744 -8.174 -6.843 82 HB2 LEU 13 HB2 LEU 13 0.772 -10.591 -6.189 83 HB3 LEU 13 HB3 LEU 13 1.215 -10.244 -7.846 84 HG LEU 13 HG LEU 13 3.575 -10.628 -7.372 85 HD11 LEU 13 HD11 LEU 13 3.831 -10.127 -5.024 86 HD12 LEU 13 HD12 LEU 13 4.136 -11.844 -5.226 87 HD13 LEU 13 HD13 LEU 13 2.579 -11.323 -4.573 88 HD21 LEU 13 HD21 LEU 13 2.103 -12.437 -8.171 89 HD22 LEU 13 HD22 LEU 13 1.717 -12.877 -6.489 90 HD23 LEU 13 HD23 LEU 13 3.370 -13.064 -7.108 91 H TYR 14 H TYR 14 3.496 -7.569 -4.999 92 HA TYR 14 HA TYR 14 2.289 -7.982 -2.392 93 HB2 TYR 14 HB2 TYR 14 4.838 -7.450 -3.347 94 HB3 TYR 14 HB3 TYR 14 4.371 -5.886 -2.712 95 HD1 TYR 14 HD1 TYR 14 4.845 -9.477 -2.010 96 HD2 TYR 14 HD2 TYR 14 4.177 -5.596 -0.254 97 HE1 TYR 14 HE1 TYR 14 5.393 -10.409 0.250 98 HE2 TYR 14 HE2 TYR 14 4.728 -6.522 2.004 99 HH TYR 14 HH TYR 14 5.627 -9.956 2.482 100 H GLN 15 H GLN 15 1.809 -5.629 -4.907 101 HA GLN 15 HA GLN 15 0.304 -3.836 -3.030 102 HB2 GLN 15 HB2 GLN 15 1.560 -3.172 -5.703 103 HB3 GLN 15 HB3 GLN 15 0.682 -2.065 -4.657 104 HG2 GLN 15 HG2 GLN 15 2.788 -3.293 -3.085 105 HG3 GLN 15 HG3 GLN 15 3.489 -2.781 -4.602 106 HE21 GLN 15 HE21 GLN 15 4.279 -0.603 -4.543 107 HE22 GLN 15 HE22 GLN 15 3.656 0.555 -3.394 108 H LEU 16 H LEU 16 0.251 -5.201 -6.362 109 HA LEU 16 HA LEU 16 -2.361 -4.299 -7.111 110 HB2 LEU 16 HB2 LEU 16 -0.463 -6.462 -8.039 111 HB3 LEU 16 HB3 LEU 16 -2.055 -6.212 -8.785 112 HG LEU 16 HG LEU 16 -0.125 -5.274 -9.987 113 HD11 LEU 16 HD11 LEU 16 -1.442 -3.581 -10.853 114 HD12 LEU 16 HD12 LEU 16 -2.022 -3.070 -9.246 115 HD13 LEU 16 HD13 LEU 16 -2.658 -4.525 -10.023 116 HD21 LEU 16 HD21 LEU 16 0.604 -2.994 -9.419 117 HD22 LEU 16 HD22 LEU 16 1.156 -4.214 -8.267 118 HD23 LEU 16 HD23 LEU 16 -0.210 -3.140 -7.843 119 H GLU 17 H GLU 17 -1.477 -7.229 -5.256 120 HA GLU 17 HA GLU 17 -3.908 -8.595 -6.003 121 HB2 GLU 17 HB2 GLU 17 -1.617 -9.524 -5.159 122 HB3 GLU 17 HB3 GLU 17 -2.350 -9.328 -3.540 123 HG2 GLU 17 HG2 GLU 17 -4.312 -10.715 -4.507 124 HG3 GLU 17 HG3 GLU 17 -3.305 -10.961 -5.935 125 H ASN 18 H ASN 18 -3.497 -5.956 -4.164 126 HA ASN 18 HA ASN 18 -5.751 -6.267 -2.293 127 HB2 ASN 18 HB2 ASN 18 -4.123 -3.865 -3.244 128 HB3 ASN 18 HB3 ASN 18 -5.457 -3.731 -2.131 129 HD21 ASN 18 HD21 ASN 18 -2.122 -4.478 -2.432 130 HD22 ASN 18 HD22 ASN 18 -1.847 -4.928 -0.743 131 H TYR 19 H TYR 19 -5.445 -5.608 -5.751 132 HA TYR 19 HA TYR 19 -7.996 -4.076 -5.856 133 HB2 TYR 19 HB2 TYR 19 -6.095 -5.301 -7.857 134 HB3 TYR 19 HB3 TYR 19 -7.686 -4.748 -8.338 135 HD1 TYR 19 HD1 TYR 19 -8.315 -2.241 -7.668 136 HD2 TYR 19 HD2 TYR 19 -4.380 -3.889 -8.166 137 HE1 TYR 19 HE1 TYR 19 -7.581 -0.155 -8.872 138 HE2 TYR 19 HE2 TYR 19 -3.765 -2.057 -9.652 139 HH TYR 19 HH TYR 19 -4.459 -0.039 -10.624 140 H CYS 20 H CYS 20 -6.860 -7.420 -6.312 141 HA CYS 20 HA CYS 20 -8.952 -8.298 -7.833 142 HB2 CYS 20 HB2 CYS 20 -7.588 -10.057 -5.800 143 HB3 CYS 20 HB3 CYS 20 -8.295 -10.521 -7.371 144 H ASN 21 H ASN 21 -10.914 -9.421 -7.440 145 HA ASN 21 HA ASN 21 -12.032 -9.037 -4.731 146 HB2 ASN 21 HB2 ASN 21 -14.242 -9.299 -5.755 147 HB3 ASN 21 HB3 ASN 21 -13.318 -7.969 -6.427 148 HD21 ASN 21 HD21 ASN 21 -13.786 -11.481 -7.102 149 HD22 ASN 21 HD22 ASN 21 -13.926 -11.257 -8.845 150 H SER 22 H SER 22 -10.132 -11.018 -4.944 151 HA SER 22 HA SER 22 -10.892 -13.654 -5.441 152 HB2 SER 22 HB2 SER 22 -8.981 -12.654 -3.303 153 HB3 SER 22 HB3 SER 22 -8.981 -14.256 -4.056 154 HG SER 22 HG SER 22 -7.456 -12.733 -5.010 155 H1 PHE 1 H1 PHE 1 7.035 -13.086 -11.638 156 H2 PHE 1 H2 PHE 1 8.108 -12.583 -10.503 157 H3 PHE 1 H3 PHE 1 8.524 -12.566 -12.086 158 HA PHE 1 HA PHE 1 6.909 -10.878 -12.573 159 HB2 PHE 1 HB2 PHE 1 5.626 -9.806 -10.821 160 HB3 PHE 1 HB3 PHE 1 5.250 -11.512 -10.879 161 HD1 PHE 1 HD1 PHE 1 7.019 -8.858 -8.929 162 HD2 PHE 1 HD2 PHE 1 5.689 -12.971 -8.968 163 HE1 PHE 1 HE1 PHE 1 7.509 -9.048 -6.509 164 HE2 PHE 1 HE2 PHE 1 6.186 -13.142 -6.545 165 HZ PHE 1 HZ PHE 1 7.073 -11.182 -5.310 166 H VAL 2 H VAL 2 7.195 -8.507 -12.039 167 HA VAL 2 HA VAL 2 9.951 -7.916 -11.021 168 HB VAL 2 HB VAL 2 8.655 -6.893 -13.590 169 HG11 VAL 2 HG11 VAL 2 10.103 -5.188 -12.580 170 HG12 VAL 2 HG12 VAL 2 11.410 -6.384 -12.384 171 HG13 VAL 2 HG13 VAL 2 10.874 -5.872 -14.007 172 HG21 VAL 2 HG21 VAL 2 9.442 -9.194 -13.924 173 HG22 VAL 2 HG22 VAL 2 10.525 -8.066 -14.737 174 HG23 VAL 2 HG23 VAL 2 11.016 -8.787 -13.190 175 H LYS 3 H LYS 3 10.022 -6.200 -9.624 176 HA LYS 3 HA LYS 3 7.679 -4.551 -9.068 177 HB2 LYS 3 HB2 LYS 3 10.592 -4.162 -8.269 178 HB3 LYS 3 HB3 LYS 3 9.205 -3.228 -7.671 179 HG2 LYS 3 HG2 LYS 3 8.227 -5.263 -6.678 180 HG3 LYS 3 HG3 LYS 3 9.557 -6.243 -7.325 181 HD2 LYS 3 HD2 LYS 3 11.171 -4.868 -5.969 182 HD3 LYS 3 HD3 LYS 3 9.779 -4.026 -5.236 183 HE2 LYS 3 HE2 LYS 3 8.890 -6.224 -4.456 184 HE3 LYS 3 HE3 LYS 3 10.271 -7.041 -5.198 185 HZ1 LYS 3 HZ1 LYS 3 11.731 -5.811 -3.668 186 HZ2 LYS 3 HZ2 LYS 3 10.642 -6.685 -2.829 187 HZ3 LYS 3 HZ3 LYS 3 10.453 -5.070 -2.976 188 H GLN 4 H GLN 4 6.950 -3.019 -10.344 189 HA GLN 4 HA GLN 4 8.785 -1.403 -12.061 190 HB2 GLN 4 HB2 GLN 4 8.048 -3.707 -13.038 191 HB3 GLN 4 HB3 GLN 4 6.461 -2.969 -13.245 192 HG2 GLN 4 HG2 GLN 4 7.349 -1.423 -14.875 193 HG3 GLN 4 HG3 GLN 4 9.019 -1.735 -14.366 194 HE21 GLN 4 HE21 GLN 4 6.189 -3.749 -15.523 195 HE22 GLN 4 HE22 GLN 4 7.199 -4.708 -16.596 196 H HIS 5 H HIS 5 7.449 0.145 -13.458 197 HA HIS 5 HA HIS 5 5.463 1.535 -11.725 198 HB2 HIS 5 HB2 HIS 5 6.377 3.550 -13.093 199 HB3 HIS 5 HB3 HIS 5 7.231 2.929 -11.686 200 HD1 HIS 5 HD1 HIS 5 9.705 3.340 -12.166 201 HD2 HIS 5 HD2 HIS 5 7.624 1.619 -15.394 202 HE1 HIS 5 HE1 HIS 5 11.456 2.774 -13.932 203 H LEU 6 H LEU 6 3.472 1.630 -12.448 204 HA LEU 6 HA LEU 6 2.941 1.505 -15.384 205 HB2 LEU 6 HB2 LEU 6 1.434 -0.143 -13.340 206 HB3 LEU 6 HB3 LEU 6 1.432 -0.249 -15.067 207 HG LEU 6 HG LEU 6 2.464 -2.094 -14.495 208 HD11 LEU 6 HD11 LEU 6 3.997 -0.626 -16.042 209 HD12 LEU 6 HD12 LEU 6 4.412 -2.254 -15.503 210 HD13 LEU 6 HD13 LEU 6 5.129 -0.875 -14.686 211 HD21 LEU 6 HD21 LEU 6 3.966 -0.746 -12.299 212 HD22 LEU 6 HD22 LEU 6 4.176 -2.442 -12.796 213 HD23 LEU 6 HD23 LEU 6 2.614 -1.870 -12.190 214 H CYS 7 H CYS 7 1.214 2.493 -16.128 215 HA CYS 7 HA CYS 7 -0.676 3.892 -14.276 216 HB2 CYS 7 HB2 CYS 7 0.455 4.846 -16.922 217 HB3 CYS 7 HB3 CYS 7 -0.586 5.751 -15.819 218 H GLY 8 H GLY 8 -2.799 3.324 -14.700 219 HA2 GLY 8 HA2 GLY 8 -4.711 2.632 -15.797 220 HA3 GLY 8 HA3 GLY 8 -3.980 3.284 -17.264 221 H SER 9 H SER 9 -3.573 1.844 -18.875 222 HA SER 9 HA SER 9 -4.406 -0.853 -18.753 223 HB2 SER 9 HB2 SER 9 -2.441 0.436 -20.714 224 HB3 SER 9 HB3 SER 9 -3.418 -1.014 -21.016 225 HG SER 9 HG SER 9 -5.288 0.263 -20.909 226 H HIS 10 H HIS 10 -1.037 0.425 -18.414 227 HA HIS 10 HA HIS 10 0.095 -2.270 -18.290 228 HB2 HIS 10 HB2 HIS 10 1.195 0.422 -17.446 229 HB3 HIS 10 HB3 HIS 10 2.095 -1.092 -17.327 230 HD1 HIS 10 HD1 HIS 10 2.188 -2.445 -19.944 231 HD2 HIS 10 HD2 HIS 10 1.239 1.646 -19.692 232 HE1 HIS 10 HE1 HIS 10 2.587 -1.481 -22.271 233 H LEU 11 H LEU 11 -1.466 -0.130 -15.998 234 HA LEU 11 HA LEU 11 -0.393 -1.447 -13.637 235 HB2 LEU 11 HB2 LEU 11 -1.518 0.984 -14.053 236 HB3 LEU 11 HB3 LEU 11 -2.964 0.095 -13.603 237 HG LEU 11 HG LEU 11 -0.432 0.597 -11.970 238 HD11 LEU 11 HD11 LEU 11 -3.380 1.273 -11.739 239 HD12 LEU 11 HD12 LEU 11 -1.999 2.379 -11.869 240 HD13 LEU 11 HD13 LEU 11 -2.260 1.423 -10.380 241 HD21 LEU 11 HD21 LEU 11 -1.610 -0.689 -10.126 242 HD22 LEU 11 HD22 LEU 11 -0.876 -1.615 -11.427 243 HD23 LEU 11 HD23 LEU 11 -2.646 -1.371 -11.410 244 H VAL 12 H VAL 12 -3.435 -1.588 -15.541 245 HA VAL 12 HA VAL 12 -4.505 -3.953 -14.292 246 HB VAL 12 HB VAL 12 -4.810 -2.874 -17.133 247 HG11 VAL 12 HG11 VAL 12 -6.853 -4.359 -17.232 248 HG12 VAL 12 HG12 VAL 12 -5.315 -5.227 -17.316 249 HG13 VAL 12 HG13 VAL 12 -6.225 -5.209 -15.795 250 HG21 VAL 12 HG21 VAL 12 -5.752 -1.474 -15.311 251 HG22 VAL 12 HG22 VAL 12 -7.027 -2.180 -16.310 252 HG23 VAL 12 HG23 VAL 12 -6.662 -2.875 -14.717 253 H GLU 13 H GLU 13 -1.915 -3.558 -16.802 254 HA GLU 13 HA GLU 13 -1.833 -6.331 -17.540 255 HB2 GLU 13 HB2 GLU 13 -0.820 -4.390 -18.768 256 HB3 GLU 13 HB3 GLU 13 0.461 -4.357 -17.551 257 HG2 GLU 13 HG2 GLU 13 1.237 -6.549 -18.210 258 HG3 GLU 13 HG3 GLU 13 -0.143 -6.743 -19.301 259 H ALA 14 H ALA 14 -0.665 -4.655 -14.668 260 HA ALA 14 HA ALA 14 0.798 -7.066 -13.687 261 HB1 ALA 14 HB1 ALA 14 0.187 -4.356 -12.437 262 HB2 ALA 14 HB2 ALA 14 1.166 -5.681 -11.721 263 HB3 ALA 14 HB3 ALA 14 1.709 -4.820 -13.198 264 H LEU 15 H LEU 15 -2.102 -5.111 -12.805 265 HA LEU 15 HA LEU 15 -3.180 -6.571 -10.786 266 HB2 LEU 15 HB2 LEU 15 -3.855 -4.418 -12.242 267 HB3 LEU 15 HB3 LEU 15 -4.948 -5.564 -13.018 268 HG LEU 15 HG LEU 15 -4.799 -4.779 -10.119 269 HD11 LEU 15 HD11 LEU 15 -5.804 -3.094 -11.559 270 HD12 LEU 15 HD12 LEU 15 -7.088 -3.875 -10.621 271 HD13 LEU 15 HD13 LEU 15 -6.821 -4.304 -12.331 272 HD21 LEU 15 HD21 LEU 15 -6.862 -6.164 -9.898 273 HD22 LEU 15 HD22 LEU 15 -5.343 -7.009 -10.050 274 HD23 LEU 15 HD23 LEU 15 -6.422 -6.894 -11.466 275 H TYR 16 H TYR 16 -3.775 -7.093 -14.221 276 HA TYR 16 HA TYR 16 -5.578 -9.301 -14.142 277 HB2 TYR 16 HB2 TYR 16 -5.026 -7.581 -15.959 278 HB3 TYR 16 HB3 TYR 16 -3.596 -8.522 -16.336 279 HD1 TYR 16 HD1 TYR 16 -6.593 -7.645 -17.545 280 HD2 TYR 16 HD2 TYR 16 -4.426 -11.273 -16.651 281 HE1 TYR 16 HE1 TYR 16 -8.027 -8.925 -19.145 282 HE2 TYR 16 HE2 TYR 16 -5.866 -12.544 -18.188 283 HH TYR 16 HH TYR 16 -8.493 -10.968 -20.081 284 H LEU 17 H LEU 17 -2.064 -9.172 -13.936 285 HA LEU 17 HA LEU 17 -1.664 -12.039 -14.476 286 HB2 LEU 17 HB2 LEU 17 -0.078 -10.243 -15.192 287 HB3 LEU 17 HB3 LEU 17 0.160 -9.755 -13.551 288 HG LEU 17 HG LEU 17 1.129 -11.830 -12.872 289 HD11 LEU 17 HD11 LEU 17 1.896 -13.489 -14.596 290 HD12 LEU 17 HD12 LEU 17 0.940 -12.624 -15.821 291 HD13 LEU 17 HD13 LEU 17 0.138 -13.434 -14.449 292 HD21 LEU 17 HD21 LEU 17 2.551 -9.989 -13.674 293 HD22 LEU 17 HD22 LEU 17 2.454 -10.620 -15.337 294 HD23 LEU 17 HD23 LEU 17 3.278 -11.553 -14.067 295 H VAL 18 H VAL 18 -1.549 -9.692 -11.871 296 HA VAL 18 HA VAL 18 -0.675 -11.288 -9.692 297 HB VAL 18 HB VAL 18 -2.271 -8.692 -9.904 298 HG11 VAL 18 HG11 VAL 18 -1.164 -10.158 -7.507 299 HG12 VAL 18 HG12 VAL 18 -1.372 -8.403 -7.521 300 HG13 VAL 18 HG13 VAL 18 -2.769 -9.450 -7.768 301 HG21 VAL 18 HG21 VAL 18 0.537 -8.594 -8.952 302 HG22 VAL 18 HG22 VAL 18 0.381 -9.122 -10.616 303 HG23 VAL 18 HG23 VAL 18 -0.317 -7.592 -10.101 304 H CYS 19 H CYS 19 -3.917 -10.522 -10.977 305 HA CYS 19 HA CYS 19 -5.277 -12.127 -8.884 306 HB2 CYS 19 HB2 CYS 19 -6.262 -10.800 -11.407 307 HB3 CYS 19 HB3 CYS 19 -7.291 -11.538 -10.160 308 H GLY 20 H GLY 20 -4.082 -12.351 -12.147 309 HA2 GLY 20 HA2 GLY 20 -3.736 -14.010 -13.654 310 HA3 GLY 20 HA3 GLY 20 -4.225 -15.208 -12.436 311 H GLU 21 H GLU 21 -6.602 -14.738 -11.887 312 HA GLU 21 HA GLU 21 -8.481 -14.605 -14.188 313 HB2 GLU 21 HB2 GLU 21 -8.007 -17.204 -12.655 314 HB3 GLU 21 HB3 GLU 21 -9.369 -16.905 -13.734 315 HG2 GLU 21 HG2 GLU 21 -7.732 -16.511 -15.616 316 HG3 GLU 21 HG3 GLU 21 -6.448 -17.060 -14.533 317 H ARG 22 H ARG 22 -7.898 -14.392 -10.789 318 HA ARG 22 HA ARG 22 -10.456 -15.127 -9.767 319 HB2 ARG 22 HB2 ARG 22 -8.159 -13.502 -8.609 320 HB3 ARG 22 HB3 ARG 22 -9.565 -14.020 -7.673 321 HG2 ARG 22 HG2 ARG 22 -9.097 -16.372 -8.096 322 HG3 ARG 22 HG3 ARG 22 -7.738 -15.985 -9.157 323 HD2 ARG 22 HD2 ARG 22 -7.878 -15.200 -6.225 324 HD3 ARG 22 HD3 ARG 22 -7.113 -16.677 -6.823 325 HE ARG 22 HE ARG 22 -5.870 -14.748 -8.330 326 HH11 ARG 22 HH11 ARG 22 -6.188 -15.166 -4.820 327 HH12 ARG 22 HH12 ARG 22 -4.684 -14.274 -4.561 328 HH21 ARG 22 HH21 ARG 22 -3.898 -13.631 -7.728 329 HH22 ARG 22 HH22 ARG 22 -3.564 -13.553 -6.012 330 H GLY 23 H GLY 23 -9.607 -12.208 -11.296 331 HA2 GLY 23 HA2 GLY 23 -11.117 -10.607 -12.061 332 HA3 GLY 23 HA3 GLY 23 -12.321 -11.130 -10.890 333 H PHE 24 H PHE 24 -11.765 -8.508 -11.428 334 HA PHE 24 HA PHE 24 -10.930 -7.185 -8.976 335 HB2 PHE 24 HB2 PHE 24 -9.039 -6.013 -10.064 336 HB3 PHE 24 HB3 PHE 24 -8.743 -7.725 -9.885 337 HD1 PHE 24 HD1 PHE 24 -9.034 -4.970 -12.255 338 HD2 PHE 24 HD2 PHE 24 -8.744 -9.254 -11.859 339 HE1 PHE 24 HE1 PHE 24 -8.193 -5.142 -14.608 340 HE2 PHE 24 HE2 PHE 24 -8.105 -9.439 -14.234 341 HZ PHE 24 HZ PHE 24 -7.809 -7.382 -15.608 342 H PHE 25 H PHE 25 -10.836 -4.769 -9.317 343 HA PHE 25 HA PHE 25 -11.981 -3.711 -11.801 344 HB2 PHE 25 HB2 PHE 25 -13.948 -4.006 -10.355 345 HB3 PHE 25 HB3 PHE 25 -13.142 -3.137 -9.051 346 HD1 PHE 25 HD1 PHE 25 -13.576 -2.451 -12.760 347 HD2 PHE 25 HD2 PHE 25 -14.198 -1.080 -8.719 348 HE1 PHE 25 HE1 PHE 25 -14.495 -0.311 -13.627 349 HE2 PHE 25 HE2 PHE 25 -15.180 1.030 -9.589 350 HZ PHE 25 HZ PHE 25 -15.307 1.425 -12.049 351 H TYR 26 H TYR 26 -10.692 -2.147 -12.462 352 HA TYR 26 HA TYR 26 -8.437 -1.362 -10.806 353 HB2 TYR 26 HB2 TYR 26 -7.562 -0.496 -13.007 354 HB3 TYR 26 HB3 TYR 26 -7.887 -2.204 -12.880 355 HD1 TYR 26 HD1 TYR 26 -9.040 0.944 -14.463 356 HD2 TYR 26 HD2 TYR 26 -9.613 -3.319 -14.124 357 HE1 TYR 26 HE1 TYR 26 -10.581 0.987 -16.429 358 HE2 TYR 26 HE2 TYR 26 -11.181 -3.271 -16.057 359 HH TYR 26 HH TYR 26 -12.182 -1.978 -17.661 360 H THR 27 H THR 27 -10.584 -0.138 -9.703 361 HA THR 27 HA THR 27 -11.112 2.485 -10.715 362 HB THR 27 HB THR 27 -12.708 1.410 -9.297 363 HG1 THR 27 HG1 THR 27 -12.901 3.545 -9.224 364 HG21 THR 27 HG21 THR 27 -11.121 0.249 -7.703 365 HG22 THR 27 HG22 THR 27 -12.485 1.072 -6.953 366 HG23 THR 27 HG23 THR 27 -10.881 1.819 -6.907 367 HA PRO 28 HA PRO 28 -7.595 4.658 -8.879 368 HB2 PRO 28 HB2 PRO 28 -8.163 7.203 -9.603 369 HB3 PRO 28 HB3 PRO 28 -7.700 5.956 -10.799 370 HG2 PRO 28 HG2 PRO 28 -10.497 6.888 -10.070 371 HG3 PRO 28 HG3 PRO 28 -9.781 6.702 -11.702 372 HD2 PRO 28 HD2 PRO 28 -11.332 4.756 -10.549 373 HD3 PRO 28 HD3 PRO 28 -9.970 4.367 -11.640 374 H LYS 29 H LYS 29 -10.942 5.102 -7.943 375 HA LYS 29 HA LYS 29 -10.125 6.372 -5.368 376 HB2 LYS 29 HB2 LYS 29 -11.638 8.219 -5.615 377 HB3 LYS 29 HB3 LYS 29 -10.532 8.180 -6.985 378 HG2 LYS 29 HG2 LYS 29 -12.339 7.091 -8.371 379 HG3 LYS 29 HG3 LYS 29 -13.440 7.256 -6.982 380 HD2 LYS 29 HD2 LYS 29 -13.113 9.719 -7.017 381 HD3 LYS 29 HD3 LYS 29 -12.016 9.553 -8.404 382 HE2 LYS 29 HE2 LYS 29 -13.879 8.528 -9.719 383 HE3 LYS 29 HE3 LYS 29 -14.957 8.740 -8.333 384 HZ1 LYS 29 HZ1 LYS 29 -14.621 11.153 -8.524 385 HZ2 LYS 29 HZ2 LYS 29 -15.187 10.564 -9.933 386 HZ3 LYS 29 HZ3 LYS 29 -13.611 10.958 -9.792 387 H THR 30 H THR 30 -11.963 3.937 -6.650 388 HA THR 30 HA THR 30 -13.658 2.653 -5.943 389 HB THR 30 HB THR 30 -13.117 3.533 -3.099 390 HG1 THR 30 HG1 THR 30 -11.448 2.048 -3.109 391 HG21 THR 30 HG21 THR 30 -13.548 1.156 -2.619 392 HG22 THR 30 HG22 THR 30 -13.787 0.821 -4.350 393 HG23 THR 30 HG23 THR 30 -14.941 1.835 -3.468 394 H ARG 31 H ARG 31 -14.706 4.607 -7.117 395 HA ARG 31 HA ARG 31 -16.520 6.294 -5.687 396 HB2 ARG 31 HB2 ARG 31 -17.232 7.103 -7.696 397 HB3 ARG 31 HB3 ARG 31 -15.593 6.594 -8.072 398 HG2 ARG 31 HG2 ARG 31 -18.174 5.138 -8.789 399 HG3 ARG 31 HG3 ARG 31 -17.176 6.086 -9.879 400 HD2 ARG 31 HD2 ARG 31 -15.358 4.489 -9.765 401 HD3 ARG 31 HD3 ARG 31 -16.148 3.571 -8.493 402 HE ARG 31 HE ARG 31 -16.785 3.544 -11.354 403 HH11 ARG 31 HH11 ARG 31 -18.031 2.673 -8.168 404 HH12 ARG 31 HH12 ARG 31 -19.046 1.421 -8.840 405 HH21 ARG 31 HH21 ARG 31 -18.158 1.963 -12.107 406 HH22 ARG 31 HH22 ARG 31 -19.129 1.056 -10.989 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -7.294 5.989 -3.860 2 H2 GLY 1 H2 GLY 1 -5.705 6.392 -3.879 3 H3 GLY 1 H3 GLY 1 -6.190 4.983 -3.186 4 HA2 GLY 1 HA2 GLY 1 -6.904 4.107 -5.315 5 HA3 GLY 1 HA3 GLY 1 -6.388 5.629 -6.064 6 H ILE 2 H ILE 2 -5.444 2.648 -6.216 7 HA ILE 2 HA ILE 2 -2.743 2.659 -5.060 8 HB ILE 2 HB ILE 2 -3.956 0.610 -5.032 9 HG12 ILE 2 HG12 ILE 2 -2.019 0.308 -7.342 10 HG13 ILE 2 HG13 ILE 2 -1.489 0.542 -5.669 11 HG21 ILE 2 HG21 ILE 2 -4.315 0.948 -8.043 12 HG22 ILE 2 HG22 ILE 2 -4.776 -0.483 -7.058 13 HG23 ILE 2 HG23 ILE 2 -5.609 1.027 -6.829 14 HD11 ILE 2 HD11 ILE 2 -2.631 -1.589 -5.051 15 HD12 ILE 2 HD12 ILE 2 -3.017 -1.863 -6.766 16 HD13 ILE 2 HD13 ILE 2 -1.325 -1.777 -6.241 17 H VAL 3 H VAL 3 -4.063 2.995 -8.358 18 HA VAL 3 HA VAL 3 -1.970 3.416 -9.999 19 HB VAL 3 HB VAL 3 -4.166 5.483 -9.658 20 HG11 VAL 3 HG11 VAL 3 -4.045 5.645 -12.120 21 HG12 VAL 3 HG12 VAL 3 -2.488 6.025 -11.388 22 HG13 VAL 3 HG13 VAL 3 -2.741 4.445 -12.153 23 HG21 VAL 3 HG21 VAL 3 -4.458 2.807 -11.078 24 HG22 VAL 3 HG22 VAL 3 -5.350 3.346 -9.637 25 HG23 VAL 3 HG23 VAL 3 -5.576 4.166 -11.179 26 H GLU 4 H GLU 4 -2.905 5.746 -7.454 27 HA GLU 4 HA GLU 4 -1.112 7.756 -8.363 28 HB2 GLU 4 HB2 GLU 4 -3.012 8.162 -6.825 29 HB3 GLU 4 HB3 GLU 4 -2.187 7.264 -5.542 30 HG2 GLU 4 HG2 GLU 4 -0.386 8.909 -5.469 31 HG3 GLU 4 HG3 GLU 4 -1.030 9.739 -6.892 32 H GLN 5 H GLN 5 -0.601 4.931 -6.351 33 HA GLN 5 HA GLN 5 2.187 5.628 -5.713 34 HB2 GLN 5 HB2 GLN 5 0.318 4.245 -4.329 35 HB3 GLN 5 HB3 GLN 5 1.027 2.890 -5.142 36 HG2 GLN 5 HG2 GLN 5 2.910 4.893 -3.823 37 HG3 GLN 5 HG3 GLN 5 1.947 3.848 -2.798 38 HE21 GLN 5 HE21 GLN 5 3.902 3.214 -5.861 39 HE22 GLN 5 HE22 GLN 5 4.695 1.828 -5.126 40 H CYS 6 H CYS 6 0.433 3.167 -7.630 41 HA CYS 6 HA CYS 6 2.869 1.890 -8.538 42 HB2 CYS 6 HB2 CYS 6 0.058 1.572 -9.569 43 HB3 CYS 6 HB3 CYS 6 1.437 0.551 -9.970 44 H CYS 7 H CYS 7 1.074 4.593 -9.919 45 HA CYS 7 HA CYS 7 2.527 4.235 -12.468 46 HB2 CYS 7 HB2 CYS 7 0.177 4.922 -12.475 47 HB3 CYS 7 HB3 CYS 7 0.528 6.336 -11.531 48 H THR 8 H THR 8 2.752 6.286 -9.544 49 HA THR 8 HA THR 8 4.927 7.916 -10.701 50 HB THR 8 HB THR 8 4.954 9.110 -8.625 51 HG1 THR 8 HG1 THR 8 2.808 7.774 -7.518 52 HG21 THR 8 HG21 THR 8 3.216 9.693 -10.254 53 HG22 THR 8 HG22 THR 8 2.684 9.996 -8.584 54 HG23 THR 8 HG23 THR 8 2.082 8.567 -9.472 55 H SER 9 H SER 9 4.583 5.221 -8.461 56 HA SER 9 HA SER 9 7.508 4.854 -8.499 57 HB2 SER 9 HB2 SER 9 6.931 5.907 -6.364 58 HB3 SER 9 HB3 SER 9 5.803 4.588 -5.996 59 HG SER 9 HG SER 9 7.927 4.414 -5.030 60 H ILE 10 H ILE 10 7.553 2.560 -7.042 61 HA ILE 10 HA ILE 10 6.741 0.698 -9.165 62 HB ILE 10 HB ILE 10 8.484 -0.771 -8.097 63 HG12 ILE 10 HG12 ILE 10 8.894 1.690 -6.307 64 HG13 ILE 10 HG13 ILE 10 8.464 0.069 -5.812 65 HG21 ILE 10 HG21 ILE 10 8.821 0.772 -10.051 66 HG22 ILE 10 HG22 ILE 10 9.437 1.996 -8.923 67 HG23 ILE 10 HG23 ILE 10 10.292 0.453 -9.125 68 HD11 ILE 10 HD11 ILE 10 11.084 1.092 -6.949 69 HD12 ILE 10 HD12 ILE 10 10.763 0.536 -5.307 70 HD13 ILE 10 HD13 ILE 10 10.762 -0.645 -6.649 71 H CYS 11 H CYS 11 5.687 -1.130 -9.021 72 HA CYS 11 HA CYS 11 4.580 -2.112 -6.437 73 HB2 CYS 11 HB2 CYS 11 3.046 -1.339 -8.933 74 HB3 CYS 11 HB3 CYS 11 2.399 -2.409 -7.693 75 H SER 12 H SER 12 3.553 -4.211 -6.645 76 HA SER 12 HA SER 12 4.213 -6.114 -8.752 77 HB2 SER 12 HB2 SER 12 5.560 -7.551 -7.240 78 HB3 SER 12 HB3 SER 12 6.357 -6.004 -7.563 79 HG SER 12 HG SER 12 6.427 -6.500 -5.344 80 H LEU 13 H LEU 13 3.658 -8.468 -7.441 81 HA LEU 13 HA LEU 13 0.863 -8.388 -7.128 82 HB2 LEU 13 HB2 LEU 13 1.774 -10.673 -5.671 83 HB3 LEU 13 HB3 LEU 13 1.023 -10.581 -7.227 84 HG LEU 13 HG LEU 13 3.362 -10.292 -8.232 85 HD11 LEU 13 HD11 LEU 13 5.201 -11.229 -6.826 86 HD12 LEU 13 HD12 LEU 13 4.109 -11.281 -5.435 87 HD13 LEU 13 HD13 LEU 13 4.598 -9.725 -6.126 88 HD21 LEU 13 HD21 LEU 13 2.099 -12.387 -8.371 89 HD22 LEU 13 HD22 LEU 13 2.645 -12.855 -6.741 90 HD23 LEU 13 HD23 LEU 13 3.803 -12.724 -8.079 91 H TYR 14 H TYR 14 3.347 -8.261 -4.688 92 HA TYR 14 HA TYR 14 2.037 -8.189 -2.213 93 HB2 TYR 14 HB2 TYR 14 4.321 -8.174 -2.239 94 HB3 TYR 14 HB3 TYR 14 4.444 -7.013 -3.536 95 HD1 TYR 14 HD1 TYR 14 5.112 -4.888 -3.120 96 HD2 TYR 14 HD2 TYR 14 3.233 -7.182 0.003 97 HE1 TYR 14 HE1 TYR 14 5.505 -3.007 -1.503 98 HE2 TYR 14 HE2 TYR 14 3.560 -5.316 1.599 99 HH TYR 14 HH TYR 14 5.199 -2.246 0.643 100 H GLN 15 H GLN 15 1.866 -5.744 -4.791 101 HA GLN 15 HA GLN 15 0.276 -3.943 -3.000 102 HB2 GLN 15 HB2 GLN 15 1.663 -3.341 -5.624 103 HB3 GLN 15 HB3 GLN 15 0.715 -2.218 -4.659 104 HG2 GLN 15 HG2 GLN 15 2.629 -3.373 -2.859 105 HG3 GLN 15 HG3 GLN 15 3.503 -3.055 -4.352 106 HE21 GLN 15 HE21 GLN 15 4.552 -1.037 -4.142 107 HE22 GLN 15 HE22 GLN 15 3.807 0.325 -3.309 108 H LEU 16 H LEU 16 0.268 -5.413 -6.276 109 HA LEU 16 HA LEU 16 -2.307 -4.395 -7.074 110 HB2 LEU 16 HB2 LEU 16 -0.416 -6.525 -8.036 111 HB3 LEU 16 HB3 LEU 16 -1.989 -6.252 -8.815 112 HG LEU 16 HG LEU 16 0.001 -5.312 -9.922 113 HD11 LEU 16 HD11 LEU 16 -1.924 -3.101 -9.272 114 HD12 LEU 16 HD12 LEU 16 -2.536 -4.557 -10.062 115 HD13 LEU 16 HD13 LEU 16 -1.283 -3.625 -10.855 116 HD21 LEU 16 HD21 LEU 16 1.200 -4.245 -8.121 117 HD22 LEU 16 HD22 LEU 16 -0.190 -3.196 -7.755 118 HD23 LEU 16 HD23 LEU 16 0.688 -3.014 -9.284 119 H GLU 17 H GLU 17 -1.478 -7.418 -5.306 120 HA GLU 17 HA GLU 17 -3.938 -8.705 -6.101 121 HB2 GLU 17 HB2 GLU 17 -1.686 -9.732 -5.228 122 HB3 GLU 17 HB3 GLU 17 -2.465 -9.570 -3.641 123 HG2 GLU 17 HG2 GLU 17 -4.457 -10.831 -4.703 124 HG3 GLU 17 HG3 GLU 17 -3.424 -11.063 -6.119 125 H ASN 18 H ASN 18 -3.479 -6.138 -4.178 126 HA ASN 18 HA ASN 18 -5.752 -6.449 -2.336 127 HB2 ASN 18 HB2 ASN 18 -4.117 -4.038 -3.251 128 HB3 ASN 18 HB3 ASN 18 -5.415 -3.936 -2.089 129 HD21 ASN 18 HD21 ASN 18 -2.090 -4.556 -2.499 130 HD22 ASN 18 HD22 ASN 18 -1.756 -5.130 -0.861 131 H TYR 19 H TYR 19 -5.412 -5.761 -5.773 132 HA TYR 19 HA TYR 19 -7.921 -4.154 -5.878 133 HB2 TYR 19 HB2 TYR 19 -5.975 -5.320 -7.868 134 HB3 TYR 19 HB3 TYR 19 -7.543 -4.748 -8.374 135 HD1 TYR 19 HD1 TYR 19 -4.270 -3.895 -8.129 136 HD2 TYR 19 HD2 TYR 19 -8.220 -2.321 -7.626 137 HE1 TYR 19 HE1 TYR 19 -3.691 -2.079 -9.655 138 HE2 TYR 19 HE2 TYR 19 -7.578 -0.261 -8.919 139 HH TYR 19 HH TYR 19 -4.480 -0.148 -10.730 140 H CYS 20 H CYS 20 -6.858 -7.515 -6.371 141 HA CYS 20 HA CYS 20 -8.887 -8.389 -7.926 142 HB2 CYS 20 HB2 CYS 20 -7.835 -10.106 -5.691 143 HB3 CYS 20 HB3 CYS 20 -8.423 -10.599 -7.298 144 H ASN 21 H ASN 21 -10.817 -9.649 -7.581 145 HA ASN 21 HA ASN 21 -12.389 -8.502 -5.410 146 HB2 ASN 21 HB2 ASN 21 -13.144 -10.252 -7.796 147 HB3 ASN 21 HB3 ASN 21 -14.314 -9.679 -6.619 148 HD21 ASN 21 HD21 ASN 21 -14.787 -9.043 -9.206 149 HD22 ASN 21 HD22 ASN 21 -14.448 -7.338 -9.463 150 H SER 22 H SER 22 -13.402 -9.562 -3.781 151 HA SER 22 HA SER 22 -12.911 -12.474 -3.282 152 HB2 SER 22 HB2 SER 22 -12.597 -10.195 -1.292 153 HB3 SER 22 HB3 SER 22 -12.583 -11.921 -0.896 154 HG SER 22 HG SER 22 -10.444 -11.079 -1.214 155 H1 PHE 1 H1 PHE 1 9.650 -11.900 -8.457 156 H2 PHE 1 H2 PHE 1 10.194 -12.187 -9.974 157 H3 PHE 1 H3 PHE 1 8.975 -13.087 -9.368 158 HA PHE 1 HA PHE 1 8.131 -11.478 -10.935 159 HB2 PHE 1 HB2 PHE 1 6.851 -12.190 -8.793 160 HB3 PHE 1 HB3 PHE 1 7.268 -10.614 -8.151 161 HD1 PHE 1 HD1 PHE 1 6.308 -8.529 -9.237 162 HD2 PHE 1 HD2 PHE 1 5.170 -12.500 -10.495 163 HE1 PHE 1 HE1 PHE 1 4.337 -7.599 -10.418 164 HE2 PHE 1 HE2 PHE 1 3.160 -11.570 -11.602 165 HZ PHE 1 HZ PHE 1 2.732 -9.122 -11.558 166 H VAL 2 H VAL 2 7.776 -9.260 -11.513 167 HA VAL 2 HA VAL 2 10.203 -7.652 -10.969 168 HB VAL 2 HB VAL 2 9.444 -6.316 -12.930 169 HG11 VAL 2 HG11 VAL 2 10.153 -7.991 -14.568 170 HG12 VAL 2 HG12 VAL 2 11.125 -8.105 -13.091 171 HG13 VAL 2 HG13 VAL 2 9.851 -9.299 -13.405 172 HG21 VAL 2 HG21 VAL 2 7.008 -6.923 -12.925 173 HG22 VAL 2 HG22 VAL 2 7.810 -7.203 -14.480 174 HG23 VAL 2 HG23 VAL 2 7.438 -8.572 -13.418 175 H LYS 3 H LYS 3 10.311 -5.790 -9.928 176 HA LYS 3 HA LYS 3 7.852 -4.394 -9.016 177 HB2 LYS 3 HB2 LYS 3 10.798 -3.909 -8.422 178 HB3 LYS 3 HB3 LYS 3 9.444 -3.004 -7.725 179 HG2 LYS 3 HG2 LYS 3 8.562 -5.049 -6.674 180 HG3 LYS 3 HG3 LYS 3 9.869 -6.017 -7.367 181 HD2 LYS 3 HD2 LYS 3 10.266 -3.702 -5.441 182 HD3 LYS 3 HD3 LYS 3 10.227 -5.420 -4.995 183 HE2 LYS 3 HE2 LYS 3 12.177 -5.838 -6.487 184 HE3 LYS 3 HE3 LYS 3 12.249 -4.113 -6.865 185 HZ1 LYS 3 HZ1 LYS 3 12.611 -5.287 -4.159 186 HZ2 LYS 3 HZ2 LYS 3 12.655 -3.686 -4.484 187 HZ3 LYS 3 HZ3 LYS 3 13.802 -4.673 -5.089 188 H GLN 4 H GLN 4 7.020 -2.839 -10.218 189 HA GLN 4 HA GLN 4 8.692 -1.169 -12.023 190 HB2 GLN 4 HB2 GLN 4 7.154 -1.797 -13.947 191 HB3 GLN 4 HB3 GLN 4 8.365 -2.995 -13.463 192 HG2 GLN 4 HG2 GLN 4 6.624 -4.280 -12.243 193 HG3 GLN 4 HG3 GLN 4 5.427 -3.061 -12.664 194 HE21 GLN 4 HE21 GLN 4 4.487 -5.292 -13.442 195 HE22 GLN 4 HE22 GLN 4 4.851 -5.695 -15.115 196 H HIS 5 H HIS 5 7.704 0.621 -12.949 197 HA HIS 5 HA HIS 5 5.266 1.604 -11.586 198 HB2 HIS 5 HB2 HIS 5 5.872 3.776 -12.682 199 HB3 HIS 5 HB3 HIS 5 6.964 3.188 -11.432 200 HD1 HIS 5 HD1 HIS 5 9.433 3.553 -12.088 201 HD2 HIS 5 HD2 HIS 5 6.886 2.838 -15.356 202 HE1 HIS 5 HE1 HIS 5 10.901 3.646 -14.170 203 H LEU 6 H LEU 6 3.412 2.055 -12.602 204 HA LEU 6 HA LEU 6 2.956 1.492 -15.476 205 HB2 LEU 6 HB2 LEU 6 1.567 0.008 -13.210 206 HB3 LEU 6 HB3 LEU 6 1.388 -0.283 -14.914 207 HG LEU 6 HG LEU 6 3.965 -0.812 -13.459 208 HD11 LEU 6 HD11 LEU 6 1.689 -2.697 -14.000 209 HD12 LEU 6 HD12 LEU 6 2.227 -2.083 -12.420 210 HD13 LEU 6 HD13 LEU 6 3.284 -3.123 -13.377 211 HD21 LEU 6 HD21 LEU 6 4.586 -2.166 -15.295 212 HD22 LEU 6 HD22 LEU 6 4.000 -0.684 -16.044 213 HD23 LEU 6 HD23 LEU 6 2.970 -2.137 -15.991 214 H CYS 7 H CYS 7 1.179 2.547 -16.227 215 HA CYS 7 HA CYS 7 -0.717 3.854 -14.308 216 HB2 CYS 7 HB2 CYS 7 0.949 5.094 -16.288 217 HB3 CYS 7 HB3 CYS 7 -0.703 5.175 -16.862 218 H GLY 8 H GLY 8 -2.824 3.272 -14.579 219 HA2 GLY 8 HA2 GLY 8 -4.784 2.483 -15.516 220 HA3 GLY 8 HA3 GLY 8 -4.192 3.207 -17.009 221 H SER 9 H SER 9 -3.777 1.854 -18.681 222 HA SER 9 HA SER 9 -4.485 -0.894 -18.685 223 HB2 SER 9 HB2 SER 9 -4.419 0.695 -20.631 224 HB3 SER 9 HB3 SER 9 -2.644 0.605 -20.598 225 HG SER 9 HG SER 9 -3.632 -0.852 -22.121 226 H HIS 10 H HIS 10 -1.188 0.574 -18.428 227 HA HIS 10 HA HIS 10 0.264 -1.947 -18.449 228 HB2 HIS 10 HB2 HIS 10 0.884 0.719 -17.112 229 HB3 HIS 10 HB3 HIS 10 2.023 -0.598 -17.245 230 HD1 HIS 10 HD1 HIS 10 2.809 -1.104 -19.961 231 HD2 HIS 10 HD2 HIS 10 0.608 2.346 -19.026 232 HE1 HIS 10 HE1 HIS 10 3.054 0.454 -21.973 233 H LEU 11 H LEU 11 -1.385 -0.056 -15.953 234 HA LEU 11 HA LEU 11 -0.214 -1.478 -13.720 235 HB2 LEU 11 HB2 LEU 11 -1.367 0.950 -14.022 236 HB3 LEU 11 HB3 LEU 11 -2.791 0.048 -13.543 237 HG LEU 11 HG LEU 11 -0.240 0.607 -11.967 238 HD11 LEU 11 HD11 LEU 11 -2.020 1.363 -10.332 239 HD12 LEU 11 HD12 LEU 11 -3.214 1.052 -11.585 240 HD13 LEU 11 HD13 LEU 11 -1.958 2.277 -11.865 241 HD21 LEU 11 HD21 LEU 11 -1.242 -0.761 -10.121 242 HD22 LEU 11 HD22 LEU 11 -0.575 -1.670 -11.472 243 HD23 LEU 11 HD23 LEU 11 -2.341 -1.464 -11.337 244 H VAL 12 H VAL 12 -3.278 -1.598 -15.516 245 HA VAL 12 HA VAL 12 -4.364 -3.926 -14.228 246 HB VAL 12 HB VAL 12 -4.812 -2.778 -17.001 247 HG11 VAL 12 HG11 VAL 12 -5.319 -5.130 -17.259 248 HG12 VAL 12 HG12 VAL 12 -6.190 -5.164 -15.710 249 HG13 VAL 12 HG13 VAL 12 -6.838 -4.250 -17.101 250 HG21 VAL 12 HG21 VAL 12 -6.542 -2.905 -14.498 251 HG22 VAL 12 HG22 VAL 12 -5.671 -1.465 -15.064 252 HG23 VAL 12 HG23 VAL 12 -6.982 -2.128 -16.036 253 H GLU 13 H GLU 13 -1.812 -3.596 -16.757 254 HA GLU 13 HA GLU 13 -1.882 -6.377 -17.473 255 HB2 GLU 13 HB2 GLU 13 -0.792 -4.447 -18.755 256 HB3 GLU 13 HB3 GLU 13 0.576 -4.622 -17.646 257 HG2 GLU 13 HG2 GLU 13 0.931 -6.925 -18.373 258 HG3 GLU 13 HG3 GLU 13 -0.540 -6.877 -19.353 259 H ALA 14 H ALA 14 -0.559 -4.715 -14.663 260 HA ALA 14 HA ALA 14 0.832 -7.178 -13.722 261 HB1 ALA 14 HB1 ALA 14 1.239 -5.804 -11.714 262 HB2 ALA 14 HB2 ALA 14 1.873 -5.045 -13.203 263 HB3 ALA 14 HB3 ALA 14 0.379 -4.434 -12.484 264 H LEU 15 H LEU 15 -2.002 -5.153 -12.793 265 HA LEU 15 HA LEU 15 -3.100 -6.600 -10.768 266 HB2 LEU 15 HB2 LEU 15 -3.712 -4.411 -12.192 267 HB3 LEU 15 HB3 LEU 15 -4.815 -5.531 -13.012 268 HG LEU 15 HG LEU 15 -4.714 -4.755 -10.111 269 HD11 LEU 15 HD11 LEU 15 -5.626 -3.071 -11.633 270 HD12 LEU 15 HD12 LEU 15 -6.931 -3.779 -10.672 271 HD13 LEU 15 HD13 LEU 15 -6.688 -4.275 -12.367 272 HD21 LEU 15 HD21 LEU 15 -5.304 -6.969 -10.043 273 HD22 LEU 15 HD22 LEU 15 -6.359 -6.854 -11.483 274 HD23 LEU 15 HD23 LEU 15 -6.809 -6.091 -9.938 275 H TYR 16 H TYR 16 -3.736 -7.102 -14.207 276 HA TYR 16 HA TYR 16 -5.616 -9.262 -14.059 277 HB2 TYR 16 HB2 TYR 16 -5.111 -7.537 -15.876 278 HB3 TYR 16 HB3 TYR 16 -3.702 -8.491 -16.321 279 HD1 TYR 16 HD1 TYR 16 -4.564 -11.215 -16.650 280 HD2 TYR 16 HD2 TYR 16 -6.714 -7.546 -17.426 281 HE1 TYR 16 HE1 TYR 16 -6.054 -12.439 -18.171 282 HE2 TYR 16 HE2 TYR 16 -8.218 -8.796 -18.993 283 HH TYR 16 HH TYR 16 -7.876 -12.309 -19.593 284 H LEU 17 H LEU 17 -2.116 -9.203 -13.951 285 HA LEU 17 HA LEU 17 -1.771 -12.067 -14.534 286 HB2 LEU 17 HB2 LEU 17 -0.196 -10.299 -15.293 287 HB3 LEU 17 HB3 LEU 17 0.094 -9.801 -13.658 288 HG LEU 17 HG LEU 17 1.095 -11.868 -13.012 289 HD11 LEU 17 HD11 LEU 17 0.031 -13.500 -14.514 290 HD12 LEU 17 HD12 LEU 17 1.778 -13.557 -14.741 291 HD13 LEU 17 HD13 LEU 17 0.767 -12.714 -15.934 292 HD21 LEU 17 HD21 LEU 17 3.188 -11.628 -14.296 293 HD22 LEU 17 HD22 LEU 17 2.483 -10.044 -13.938 294 HD23 LEU 17 HD23 LEU 17 2.318 -10.735 -15.562 295 H VAL 18 H VAL 18 -1.518 -9.763 -11.900 296 HA VAL 18 HA VAL 18 -0.725 -11.445 -9.743 297 HB VAL 18 HB VAL 18 -2.043 -8.682 -9.993 298 HG11 VAL 18 HG11 VAL 18 -1.231 -10.277 -7.533 299 HG12 VAL 18 HG12 VAL 18 -1.271 -8.516 -7.551 300 HG13 VAL 18 HG13 VAL 18 -2.757 -9.421 -7.869 301 HG21 VAL 18 HG21 VAL 18 0.379 -9.117 -10.769 302 HG22 VAL 18 HG22 VAL 18 0.258 -7.965 -9.460 303 HG23 VAL 18 HG23 VAL 18 0.754 -9.638 -9.153 304 H CYS 19 H CYS 19 -3.869 -10.427 -10.953 305 HA CYS 19 HA CYS 19 -5.335 -12.043 -8.948 306 HB2 CYS 19 HB2 CYS 19 -6.267 -10.423 -11.316 307 HB3 CYS 19 HB3 CYS 19 -7.336 -11.220 -10.143 308 H GLY 20 H GLY 20 -4.086 -12.413 -12.191 309 HA2 GLY 20 HA2 GLY 20 -4.148 -14.128 -13.701 310 HA3 GLY 20 HA3 GLY 20 -4.214 -15.192 -12.281 311 H GLU 21 H GLU 21 -6.519 -12.930 -13.786 312 HA GLU 21 HA GLU 21 -8.652 -13.028 -14.396 313 HB2 GLU 21 HB2 GLU 21 -7.486 -14.840 -15.900 314 HB3 GLU 21 HB3 GLU 21 -8.547 -15.952 -15.038 315 HG2 GLU 21 HG2 GLU 21 -10.514 -14.588 -15.791 316 HG3 GLU 21 HG3 GLU 21 -9.413 -13.487 -16.625 317 H ARG 22 H ARG 22 -7.967 -14.086 -11.475 318 HA ARG 22 HA ARG 22 -10.474 -15.286 -10.606 319 HB2 ARG 22 HB2 ARG 22 -8.381 -13.640 -9.124 320 HB3 ARG 22 HB3 ARG 22 -9.792 -14.335 -8.346 321 HG2 ARG 22 HG2 ARG 22 -9.136 -16.596 -8.928 322 HG3 ARG 22 HG3 ARG 22 -7.729 -16.021 -9.826 323 HD2 ARG 22 HD2 ARG 22 -8.180 -15.492 -6.857 324 HD3 ARG 22 HD3 ARG 22 -7.265 -16.875 -7.479 325 HE ARG 22 HE ARG 22 -6.085 -14.719 -8.722 326 HH11 ARG 22 HH11 ARG 22 -6.580 -15.405 -5.272 327 HH12 ARG 22 HH12 ARG 22 -5.123 -14.498 -4.863 328 HH21 ARG 22 HH21 ARG 22 -4.140 -13.688 -7.944 329 HH22 ARG 22 HH22 ARG 22 -3.931 -13.660 -6.205 330 H GLY 23 H GLY 23 -9.750 -12.121 -11.652 331 HA2 GLY 23 HA2 GLY 23 -11.348 -10.486 -12.205 332 HA3 GLY 23 HA3 GLY 23 -12.471 -11.107 -10.994 333 H PHE 24 H PHE 24 -11.839 -8.423 -11.330 334 HA PHE 24 HA PHE 24 -10.702 -7.436 -8.819 335 HB2 PHE 24 HB2 PHE 24 -8.889 -6.250 -9.945 336 HB3 PHE 24 HB3 PHE 24 -8.657 -7.980 -9.949 337 HD1 PHE 24 HD1 PHE 24 -8.822 -5.047 -11.999 338 HD2 PHE 24 HD2 PHE 24 -8.901 -9.343 -12.025 339 HE1 PHE 24 HE1 PHE 24 -8.137 -5.036 -14.406 340 HE2 PHE 24 HE2 PHE 24 -8.381 -9.345 -14.442 341 HZ PHE 24 HZ PHE 24 -8.003 -7.189 -15.637 342 H PHE 25 H PHE 25 -10.529 -5.151 -8.744 343 HA PHE 25 HA PHE 25 -12.383 -3.554 -10.473 344 HB2 PHE 25 HB2 PHE 25 -12.980 -3.695 -8.079 345 HB3 PHE 25 HB3 PHE 25 -11.366 -3.172 -7.627 346 HD1 PHE 25 HD1 PHE 25 -10.729 -0.830 -7.677 347 HD2 PHE 25 HD2 PHE 25 -14.588 -2.115 -9.126 348 HE1 PHE 25 HE1 PHE 25 -11.545 1.509 -7.595 349 HE2 PHE 25 HE2 PHE 25 -15.399 0.227 -9.039 350 HZ PHE 25 HZ PHE 25 -13.886 2.039 -8.248 351 H TYR 26 H TYR 26 -11.432 -1.600 -11.383 352 HA TYR 26 HA TYR 26 -8.531 -1.129 -10.946 353 HB2 TYR 26 HB2 TYR 26 -8.040 -1.392 -13.357 354 HB3 TYR 26 HB3 TYR 26 -8.488 -2.862 -12.544 355 HD1 TYR 26 HD1 TYR 26 -9.537 -0.398 -15.077 356 HD2 TYR 26 HD2 TYR 26 -10.523 -4.055 -13.029 357 HE1 TYR 26 HE1 TYR 26 -11.311 -0.861 -16.769 358 HE2 TYR 26 HE2 TYR 26 -12.326 -4.514 -14.697 359 HH TYR 26 HH TYR 26 -12.967 -2.298 -17.450 360 H THR 27 H THR 27 -11.268 0.459 -10.903 361 HA THR 27 HA THR 27 -11.213 2.412 -12.922 362 HB THR 27 HB THR 27 -12.232 2.609 -10.087 363 HG1 THR 27 HG1 THR 27 -14.152 1.909 -11.050 364 HG21 THR 27 HG21 THR 27 -13.921 4.205 -11.113 365 HG22 THR 27 HG22 THR 27 -12.942 4.218 -12.594 366 HG23 THR 27 HG23 THR 27 -12.279 4.850 -11.064 367 HA PRO 28 HA PRO 28 -7.723 4.795 -11.244 368 HB2 PRO 28 HB2 PRO 28 -7.014 6.218 -13.428 369 HB3 PRO 28 HB3 PRO 28 -6.834 4.437 -13.384 370 HG2 PRO 28 HG2 PRO 28 -9.114 6.040 -14.594 371 HG3 PRO 28 HG3 PRO 28 -8.168 4.722 -15.350 372 HD2 PRO 28 HD2 PRO 28 -10.591 4.296 -14.113 373 HD3 PRO 28 HD3 PRO 28 -9.282 3.077 -14.130 374 H LYS 29 H LYS 29 -10.752 6.073 -12.226 375 HA LYS 29 HA LYS 29 -10.342 8.836 -12.247 376 HB2 LYS 29 HB2 LYS 29 -12.304 7.631 -13.097 377 HB3 LYS 29 HB3 LYS 29 -12.845 7.284 -11.454 378 HG2 LYS 29 HG2 LYS 29 -13.351 9.585 -11.021 379 HG3 LYS 29 HG3 LYS 29 -12.436 10.133 -12.429 380 HD2 LYS 29 HD2 LYS 29 -14.802 10.297 -12.938 381 HD3 LYS 29 HD3 LYS 29 -14.051 9.076 -13.941 382 HE2 LYS 29 HE2 LYS 29 -16.079 8.109 -13.351 383 HE3 LYS 29 HE3 LYS 29 -14.930 7.317 -12.282 384 HZ1 LYS 29 HZ1 LYS 29 -16.939 8.045 -11.105 385 HZ2 LYS 29 HZ2 LYS 29 -16.682 9.602 -11.518 386 HZ3 LYS 29 HZ3 LYS 29 -15.663 8.843 -10.488 387 H THR 30 H THR 30 -10.862 6.822 -9.425 388 HA THR 30 HA THR 30 -10.890 7.192 -7.186 389 HB THR 30 HB THR 30 -8.766 9.286 -7.681 390 HG1 THR 30 HG1 THR 30 -8.284 7.567 -9.007 391 HG21 THR 30 HG21 THR 30 -7.645 8.086 -5.786 392 HG22 THR 30 HG22 THR 30 -9.099 7.082 -5.584 393 HG23 THR 30 HG23 THR 30 -9.156 8.832 -5.279 394 H ARG 31 H ARG 31 -12.882 8.753 -8.555 395 HA ARG 31 HA ARG 31 -13.651 10.739 -6.495 396 HB2 ARG 31 HB2 ARG 31 -13.313 11.281 -9.468 397 HB3 ARG 31 HB3 ARG 31 -14.425 12.220 -8.477 398 HG2 ARG 31 HG2 ARG 31 -12.726 13.196 -7.185 399 HG3 ARG 31 HG3 ARG 31 -11.515 11.998 -7.642 400 HD2 ARG 31 HD2 ARG 31 -12.742 13.932 -9.631 401 HD3 ARG 31 HD3 ARG 31 -11.253 14.259 -8.728 402 HE ARG 31 HE ARG 31 -10.932 11.717 -9.897 403 HH11 ARG 31 HH11 ARG 31 -11.218 14.986 -11.120 404 HH12 ARG 31 HH12 ARG 31 -10.233 14.634 -12.516 405 HH21 ARG 31 HH21 ARG 31 -9.704 11.344 -11.595 406 HH22 ARG 31 HH22 ARG 31 -9.387 12.582 -12.793 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -5.523 6.406 -3.880 2 H2 GLY 1 H2 GLY 1 -7.064 6.516 -4.442 3 H3 GLY 1 H3 GLY 1 -5.811 6.741 -5.464 4 HA2 GLY 1 HA2 GLY 1 -6.532 4.210 -4.131 5 HA3 GLY 1 HA3 GLY 1 -6.747 4.575 -5.850 6 H ILE 2 H ILE 2 -5.427 2.473 -5.935 7 HA ILE 2 HA ILE 2 -2.696 2.463 -4.909 8 HB ILE 2 HB ILE 2 -3.786 0.395 -4.884 9 HG12 ILE 2 HG12 ILE 2 -2.144 0.202 -7.435 10 HG13 ILE 2 HG13 ILE 2 -1.414 0.417 -5.832 11 HG21 ILE 2 HG21 ILE 2 -5.670 0.800 -6.377 12 HG22 ILE 2 HG22 ILE 2 -4.581 0.923 -7.780 13 HG23 ILE 2 HG23 ILE 2 -4.831 -0.626 -6.891 14 HD11 ILE 2 HD11 ILE 2 -3.061 -2.001 -6.692 15 HD12 ILE 2 HD12 ILE 2 -1.303 -1.884 -6.515 16 HD13 ILE 2 HD13 ILE 2 -2.348 -1.703 -5.087 17 H VAL 3 H VAL 3 -4.097 2.818 -8.171 18 HA VAL 3 HA VAL 3 -2.100 3.333 -9.879 19 HB VAL 3 HB VAL 3 -4.314 5.349 -9.364 20 HG11 VAL 3 HG11 VAL 3 -4.316 5.578 -11.823 21 HG12 VAL 3 HG12 VAL 3 -2.726 5.969 -11.167 22 HG13 VAL 3 HG13 VAL 3 -3.001 4.396 -11.949 23 HG21 VAL 3 HG21 VAL 3 -4.605 2.707 -10.839 24 HG22 VAL 3 HG22 VAL 3 -5.450 3.183 -9.352 25 HG23 VAL 3 HG23 VAL 3 -5.774 4.024 -10.866 26 H GLU 4 H GLU 4 -2.899 5.562 -7.191 27 HA GLU 4 HA GLU 4 -1.145 7.592 -8.174 28 HB2 GLU 4 HB2 GLU 4 -2.975 7.998 -6.559 29 HB3 GLU 4 HB3 GLU 4 -2.079 7.100 -5.316 30 HG2 GLU 4 HG2 GLU 4 -0.287 8.746 -5.346 31 HG3 GLU 4 HG3 GLU 4 -1.022 9.585 -6.717 32 H GLN 5 H GLN 5 -0.596 4.759 -6.165 33 HA GLN 5 HA GLN 5 2.190 5.389 -5.510 34 HB2 GLN 5 HB2 GLN 5 0.314 3.873 -4.290 35 HB3 GLN 5 HB3 GLN 5 1.045 2.612 -5.252 36 HG2 GLN 5 HG2 GLN 5 2.509 4.453 -3.303 37 HG3 GLN 5 HG3 GLN 5 2.019 2.784 -2.982 38 HE21 GLN 5 HE21 GLN 5 2.997 1.078 -4.491 39 HE22 GLN 5 HE22 GLN 5 4.616 1.373 -5.125 40 H CYS 6 H CYS 6 0.509 3.002 -7.589 41 HA CYS 6 HA CYS 6 2.925 1.875 -8.651 42 HB2 CYS 6 HB2 CYS 6 0.105 1.624 -9.684 43 HB3 CYS 6 HB3 CYS 6 1.477 0.604 -10.110 44 H CYS 7 H CYS 7 0.856 4.499 -9.987 45 HA CYS 7 HA CYS 7 2.230 4.305 -12.575 46 HB2 CYS 7 HB2 CYS 7 -0.123 5.013 -12.372 47 HB3 CYS 7 HB3 CYS 7 0.310 6.339 -11.346 48 H THR 8 H THR 8 2.672 6.163 -9.560 49 HA THR 8 HA THR 8 4.712 7.914 -10.787 50 HB THR 8 HB THR 8 4.932 8.958 -8.629 51 HG1 THR 8 HG1 THR 8 2.800 7.576 -7.517 52 HG21 THR 8 HG21 THR 8 2.020 8.520 -9.398 53 HG22 THR 8 HG22 THR 8 3.144 9.692 -10.125 54 HG23 THR 8 HG23 THR 8 2.662 9.866 -8.417 55 H SER 9 H SER 9 4.608 5.177 -8.500 56 HA SER 9 HA SER 9 7.526 4.817 -8.895 57 HB2 SER 9 HB2 SER 9 6.218 4.543 -6.187 58 HB3 SER 9 HB3 SER 9 7.921 4.366 -6.565 59 HG SER 9 HG SER 9 7.417 6.425 -5.651 60 H ILE 10 H ILE 10 8.009 2.575 -7.504 61 HA ILE 10 HA ILE 10 6.857 0.688 -9.325 62 HB ILE 10 HB ILE 10 8.439 -0.918 -8.212 63 HG12 ILE 10 HG12 ILE 10 9.314 1.571 -6.651 64 HG13 ILE 10 HG13 ILE 10 8.440 0.211 -5.957 65 HG21 ILE 10 HG21 ILE 10 9.620 1.730 -9.168 66 HG22 ILE 10 HG22 ILE 10 10.346 0.114 -9.316 67 HG23 ILE 10 HG23 ILE 10 8.886 0.516 -10.226 68 HD11 ILE 10 HD11 ILE 10 11.237 0.144 -7.136 69 HD12 ILE 10 HD12 ILE 10 10.785 0.090 -5.425 70 HD13 ILE 10 HD13 ILE 10 10.362 -1.267 -6.494 71 H CYS 11 H CYS 11 5.743 -1.113 -9.113 72 HA CYS 11 HA CYS 11 4.646 -1.974 -6.488 73 HB2 CYS 11 HB2 CYS 11 3.118 -1.385 -9.037 74 HB3 CYS 11 HB3 CYS 11 2.502 -2.471 -7.803 75 H SER 12 H SER 12 3.622 -4.114 -6.646 76 HA SER 12 HA SER 12 4.580 -6.134 -8.529 77 HB2 SER 12 HB2 SER 12 6.549 -5.789 -7.027 78 HB3 SER 12 HB3 SER 12 5.519 -6.091 -5.621 79 HG SER 12 HG SER 12 6.684 -7.957 -6.295 80 H LEU 13 H LEU 13 3.781 -8.419 -7.359 81 HA LEU 13 HA LEU 13 1.031 -8.417 -7.123 82 HB2 LEU 13 HB2 LEU 13 2.645 -10.314 -5.421 83 HB3 LEU 13 HB3 LEU 13 1.119 -10.570 -6.220 84 HG LEU 13 HG LEU 13 2.859 -10.184 -8.385 85 HD11 LEU 13 HD11 LEU 13 4.270 -11.764 -6.182 86 HD12 LEU 13 HD12 LEU 13 4.829 -10.239 -6.916 87 HD13 LEU 13 HD13 LEU 13 4.751 -11.723 -7.883 88 HD21 LEU 13 HD21 LEU 13 1.115 -11.948 -8.160 89 HD22 LEU 13 HD22 LEU 13 2.164 -12.818 -7.020 90 HD23 LEU 13 HD23 LEU 13 2.667 -12.598 -8.713 91 H TYR 14 H TYR 14 3.406 -7.984 -4.570 92 HA TYR 14 HA TYR 14 2.001 -7.951 -2.214 93 HB2 TYR 14 HB2 TYR 14 4.549 -7.228 -3.165 94 HB3 TYR 14 HB3 TYR 14 3.949 -5.733 -2.505 95 HD1 TYR 14 HD1 TYR 14 4.869 -9.228 -1.837 96 HD2 TYR 14 HD2 TYR 14 3.571 -5.527 -0.050 97 HE1 TYR 14 HE1 TYR 14 5.478 -10.113 0.431 98 HE2 TYR 14 HE2 TYR 14 4.192 -6.392 2.204 99 HH TYR 14 HH TYR 14 5.044 -8.145 3.402 100 H GLN 15 H GLN 15 1.786 -5.423 -4.718 101 HA GLN 15 HA GLN 15 -0.108 -3.833 -3.015 102 HB2 GLN 15 HB2 GLN 15 1.381 -3.212 -5.602 103 HB3 GLN 15 HB3 GLN 15 0.266 -2.117 -4.788 104 HG2 GLN 15 HG2 GLN 15 2.516 -3.128 -3.074 105 HG3 GLN 15 HG3 GLN 15 2.977 -2.165 -4.454 106 HE21 GLN 15 HE21 GLN 15 1.252 -2.125 -1.339 107 HE22 GLN 15 HE22 GLN 15 1.039 -0.380 -1.307 108 H LEU 16 H LEU 16 0.249 -5.535 -6.162 109 HA LEU 16 HA LEU 16 -2.281 -4.600 -7.158 110 HB2 LEU 16 HB2 LEU 16 -0.273 -6.655 -8.029 111 HB3 LEU 16 HB3 LEU 16 -1.832 -6.434 -8.869 112 HG LEU 16 HG LEU 16 0.121 -5.405 -9.937 113 HD11 LEU 16 HD11 LEU 16 -1.760 -3.197 -9.274 114 HD12 LEU 16 HD12 LEU 16 -2.467 -4.653 -9.979 115 HD13 LEU 16 HD13 LEU 16 -1.216 -3.792 -10.865 116 HD21 LEU 16 HD21 LEU 16 0.749 -3.114 -9.245 117 HD22 LEU 16 HD22 LEU 16 1.321 -4.373 -8.150 118 HD23 LEU 16 HD23 LEU 16 -0.089 -3.381 -7.705 119 H GLU 17 H GLU 17 -1.565 -7.668 -5.339 120 HA GLU 17 HA GLU 17 -4.202 -8.645 -6.131 121 HB2 GLU 17 HB2 GLU 17 -3.828 -10.406 -4.235 122 HB3 GLU 17 HB3 GLU 17 -3.239 -10.534 -5.865 123 HG2 GLU 17 HG2 GLU 17 -1.580 -11.316 -4.448 124 HG3 GLU 17 HG3 GLU 17 -1.005 -9.851 -5.188 125 H ASN 18 H ASN 18 -3.423 -6.223 -4.249 126 HA ASN 18 HA ASN 18 -5.614 -6.341 -2.341 127 HB2 ASN 18 HB2 ASN 18 -3.364 -4.888 -2.425 128 HB3 ASN 18 HB3 ASN 18 -4.319 -3.820 -3.431 129 HD21 ASN 18 HD21 ASN 18 -3.615 -2.383 -1.624 130 HD22 ASN 18 HD22 ASN 18 -4.658 -2.302 -0.213 131 H TYR 19 H TYR 19 -5.387 -5.793 -5.793 132 HA TYR 19 HA TYR 19 -7.876 -4.139 -5.883 133 HB2 TYR 19 HB2 TYR 19 -6.020 -5.374 -7.906 134 HB3 TYR 19 HB3 TYR 19 -7.598 -4.777 -8.371 135 HD1 TYR 19 HD1 TYR 19 -8.185 -2.315 -7.836 136 HD2 TYR 19 HD2 TYR 19 -4.245 -4.002 -8.024 137 HE1 TYR 19 HE1 TYR 19 -7.338 -0.230 -8.989 138 HE2 TYR 19 HE2 TYR 19 -3.504 -2.183 -9.484 139 HH TYR 19 HH TYR 19 -4.097 -0.167 -10.498 140 H CYS 20 H CYS 20 -6.828 -7.521 -6.375 141 HA CYS 20 HA CYS 20 -8.911 -8.366 -7.906 142 HB2 CYS 20 HB2 CYS 20 -7.915 -10.139 -5.684 143 HB3 CYS 20 HB3 CYS 20 -8.446 -10.575 -7.331 144 H ASN 21 H ASN 21 -10.934 -9.449 -7.524 145 HA ASN 21 HA ASN 21 -12.204 -8.785 -4.960 146 HB2 ASN 21 HB2 ASN 21 -14.257 -9.861 -5.983 147 HB3 ASN 21 HB3 ASN 21 -13.633 -8.447 -6.821 148 HD21 ASN 21 HD21 ASN 21 -12.881 -12.040 -7.032 149 HD22 ASN 21 HD22 ASN 21 -12.962 -12.004 -8.780 150 H SER 22 H SER 22 -10.375 -11.366 -6.155 151 HA SER 22 HA SER 22 -11.169 -13.217 -3.960 152 HB2 SER 22 HB2 SER 22 -10.818 -14.011 -6.869 153 HB3 SER 22 HB3 SER 22 -11.125 -15.103 -5.504 154 HG SER 22 HG SER 22 -13.104 -14.637 -6.498 155 H1 PHE 1 H1 PHE 1 10.145 -12.198 -10.310 156 H2 PHE 1 H2 PHE 1 8.896 -13.055 -9.695 157 H3 PHE 1 H3 PHE 1 9.647 -11.916 -8.786 158 HA PHE 1 HA PHE 1 8.083 -11.397 -11.221 159 HB2 PHE 1 HB2 PHE 1 6.846 -12.038 -9.028 160 HB3 PHE 1 HB3 PHE 1 7.361 -10.477 -8.418 161 HD1 PHE 1 HD1 PHE 1 6.367 -8.377 -9.352 162 HD2 PHE 1 HD2 PHE 1 5.167 -12.272 -10.776 163 HE1 PHE 1 HE1 PHE 1 4.363 -7.377 -10.418 164 HE2 PHE 1 HE2 PHE 1 3.140 -11.269 -11.786 165 HZ PHE 1 HZ PHE 1 2.731 -8.822 -11.607 166 H VAL 2 H VAL 2 7.806 -9.156 -11.778 167 HA VAL 2 HA VAL 2 10.321 -7.662 -11.276 168 HB VAL 2 HB VAL 2 9.590 -6.307 -13.251 169 HG11 VAL 2 HG11 VAL 2 9.980 -9.297 -13.693 170 HG12 VAL 2 HG12 VAL 2 10.309 -8.008 -14.862 171 HG13 VAL 2 HG13 VAL 2 11.268 -8.107 -13.380 172 HG21 VAL 2 HG21 VAL 2 7.979 -7.205 -14.818 173 HG22 VAL 2 HG22 VAL 2 7.592 -8.563 -13.756 174 HG23 VAL 2 HG23 VAL 2 7.148 -6.915 -13.289 175 H LYS 3 H LYS 3 10.465 -5.868 -10.136 176 HA LYS 3 HA LYS 3 8.068 -4.403 -9.205 177 HB2 LYS 3 HB2 LYS 3 11.024 -3.835 -8.719 178 HB3 LYS 3 HB3 LYS 3 9.644 -3.054 -7.926 179 HG2 LYS 3 HG2 LYS 3 8.967 -5.240 -6.935 180 HG3 LYS 3 HG3 LYS 3 10.339 -6.019 -7.731 181 HD2 LYS 3 HD2 LYS 3 11.896 -4.460 -6.499 182 HD3 LYS 3 HD3 LYS 3 10.489 -3.876 -5.580 183 HE2 LYS 3 HE2 LYS 3 10.024 -6.211 -4.852 184 HE3 LYS 3 HE3 LYS 3 11.398 -6.782 -5.813 185 HZ1 LYS 3 HZ1 LYS 3 12.865 -5.467 -4.368 186 HZ2 LYS 3 HZ2 LYS 3 11.994 -6.504 -3.458 187 HZ3 LYS 3 HZ3 LYS 3 11.595 -4.917 -3.491 188 H GLN 4 H GLN 4 7.181 -2.847 -10.357 189 HA GLN 4 HA GLN 4 8.751 -1.120 -12.197 190 HB2 GLN 4 HB2 GLN 4 7.201 -1.742 -14.093 191 HB3 GLN 4 HB3 GLN 4 8.423 -2.940 -13.651 192 HG2 GLN 4 HG2 GLN 4 6.700 -4.243 -12.409 193 HG3 GLN 4 HG3 GLN 4 5.492 -3.045 -12.831 194 HE21 GLN 4 HE21 GLN 4 4.605 -5.310 -13.601 195 HE22 GLN 4 HE22 GLN 4 4.948 -5.683 -15.287 196 H HIS 5 H HIS 5 7.728 0.698 -12.955 197 HA HIS 5 HA HIS 5 5.273 1.535 -11.541 198 HB2 HIS 5 HB2 HIS 5 5.781 3.756 -12.548 199 HB3 HIS 5 HB3 HIS 5 6.929 3.156 -11.357 200 HD1 HIS 5 HD1 HIS 5 9.367 3.643 -12.080 201 HD2 HIS 5 HD2 HIS 5 6.735 2.966 -15.290 202 HE1 HIS 5 HE1 HIS 5 10.753 3.896 -14.208 203 H LEU 6 H LEU 6 3.404 2.004 -12.528 204 HA LEU 6 HA LEU 6 2.932 1.461 -15.406 205 HB2 LEU 6 HB2 LEU 6 1.587 -0.095 -13.168 206 HB3 LEU 6 HB3 LEU 6 1.400 -0.339 -14.880 207 HG LEU 6 HG LEU 6 4.004 -0.868 -13.475 208 HD11 LEU 6 HD11 LEU 6 2.315 -2.186 -12.436 209 HD12 LEU 6 HD12 LEU 6 3.328 -3.194 -13.467 210 HD13 LEU 6 HD13 LEU 6 1.709 -2.728 -14.010 211 HD21 LEU 6 HD21 LEU 6 4.005 -0.682 -16.059 212 HD22 LEU 6 HD22 LEU 6 2.980 -2.147 -16.019 213 HD23 LEU 6 HD23 LEU 6 4.606 -2.175 -15.339 214 H CYS 7 H CYS 7 1.189 2.505 -16.141 215 HA CYS 7 HA CYS 7 -0.682 3.884 -14.252 216 HB2 CYS 7 HB2 CYS 7 0.379 4.799 -16.937 217 HB3 CYS 7 HB3 CYS 7 -0.715 5.699 -15.891 218 H GLY 8 H GLY 8 -2.802 3.248 -14.555 219 HA2 GLY 8 HA2 GLY 8 -4.753 2.525 -15.560 220 HA3 GLY 8 HA3 GLY 8 -4.128 3.243 -17.044 221 H SER 9 H SER 9 -3.860 1.870 -18.721 222 HA SER 9 HA SER 9 -4.452 -0.867 -18.748 223 HB2 SER 9 HB2 SER 9 -2.578 0.665 -20.607 224 HB3 SER 9 HB3 SER 9 -3.446 -0.848 -20.987 225 HG SER 9 HG SER 9 -4.547 0.987 -21.821 226 H HIS 10 H HIS 10 -1.191 0.622 -18.357 227 HA HIS 10 HA HIS 10 0.251 -1.922 -18.425 228 HB2 HIS 10 HB2 HIS 10 0.912 0.734 -17.091 229 HB3 HIS 10 HB3 HIS 10 2.037 -0.586 -17.244 230 HD1 HIS 10 HD1 HIS 10 2.784 -1.103 -19.971 231 HD2 HIS 10 HD2 HIS 10 0.670 2.387 -18.996 232 HE1 HIS 10 HE1 HIS 10 3.057 0.464 -21.966 233 H LEU 11 H LEU 11 -1.381 -0.044 -15.920 234 HA LEU 11 HA LEU 11 -0.210 -1.470 -13.689 235 HB2 LEU 11 HB2 LEU 11 -1.381 0.942 -13.974 236 HB3 LEU 11 HB3 LEU 11 -2.815 0.023 -13.542 237 HG LEU 11 HG LEU 11 -0.277 0.487 -11.902 238 HD11 LEU 11 HD11 LEU 11 -2.085 1.318 -10.312 239 HD12 LEU 11 HD12 LEU 11 -3.212 1.211 -11.680 240 HD13 LEU 11 HD13 LEU 11 -1.804 2.284 -11.793 241 HD21 LEU 11 HD21 LEU 11 -1.453 -0.829 -10.100 242 HD22 LEU 11 HD22 LEU 11 -0.764 -1.748 -11.431 243 HD23 LEU 11 HD23 LEU 11 -2.520 -1.465 -11.384 244 H VAL 12 H VAL 12 -3.277 -1.594 -15.491 245 HA VAL 12 HA VAL 12 -4.372 -3.956 -14.284 246 HB VAL 12 HB VAL 12 -4.729 -2.781 -17.062 247 HG11 VAL 12 HG11 VAL 12 -5.261 -5.122 -17.331 248 HG12 VAL 12 HG12 VAL 12 -6.149 -5.148 -15.793 249 HG13 VAL 12 HG13 VAL 12 -6.779 -4.237 -17.191 250 HG21 VAL 12 HG21 VAL 12 -6.536 -2.888 -14.609 251 HG22 VAL 12 HG22 VAL 12 -5.616 -1.463 -15.144 252 HG23 VAL 12 HG23 VAL 12 -6.913 -2.096 -16.156 253 H GLU 13 H GLU 13 -1.741 -3.575 -16.745 254 HA GLU 13 HA GLU 13 -1.792 -6.352 -17.528 255 HB2 GLU 13 HB2 GLU 13 -0.634 -4.310 -18.695 256 HB3 GLU 13 HB3 GLU 13 0.692 -4.632 -17.573 257 HG2 GLU 13 HG2 GLU 13 1.235 -5.716 -19.598 258 HG3 GLU 13 HG3 GLU 13 0.817 -6.986 -18.463 259 H ALA 14 H ALA 14 -0.536 -4.736 -14.658 260 HA ALA 14 HA ALA 14 0.845 -7.226 -13.747 261 HB1 ALA 14 HB1 ALA 14 1.916 -5.102 -13.249 262 HB2 ALA 14 HB2 ALA 14 0.447 -4.487 -12.488 263 HB3 ALA 14 HB3 ALA 14 1.307 -5.887 -11.755 264 H LEU 15 H LEU 15 -1.965 -5.178 -12.800 265 HA LEU 15 HA LEU 15 -3.086 -6.649 -10.798 266 HB2 LEU 15 HB2 LEU 15 -3.689 -4.426 -12.217 267 HB3 LEU 15 HB3 LEU 15 -4.807 -5.530 -13.030 268 HG LEU 15 HG LEU 15 -4.704 -4.793 -10.119 269 HD11 LEU 15 HD11 LEU 15 -6.663 -4.233 -12.387 270 HD12 LEU 15 HD12 LEU 15 -5.630 -3.057 -11.568 271 HD13 LEU 15 HD13 LEU 15 -6.957 -3.817 -10.679 272 HD21 LEU 15 HD21 LEU 15 -6.803 -6.131 -9.977 273 HD22 LEU 15 HD22 LEU 15 -5.294 -6.992 -10.133 274 HD23 LEU 15 HD23 LEU 15 -6.356 -6.845 -11.553 275 H TYR 16 H TYR 16 -3.696 -7.103 -14.248 276 HA TYR 16 HA TYR 16 -5.597 -9.249 -14.139 277 HB2 TYR 16 HB2 TYR 16 -5.080 -7.517 -15.931 278 HB3 TYR 16 HB3 TYR 16 -3.641 -8.430 -16.353 279 HD1 TYR 16 HD1 TYR 16 -6.656 -7.540 -17.501 280 HD2 TYR 16 HD2 TYR 16 -4.363 -11.135 -16.854 281 HE1 TYR 16 HE1 TYR 16 -8.027 -8.734 -19.213 282 HE2 TYR 16 HE2 TYR 16 -5.709 -12.314 -18.554 283 HH TYR 16 HH TYR 16 -8.401 -10.699 -20.307 284 H LEU 17 H LEU 17 -2.117 -9.234 -13.927 285 HA LEU 17 HA LEU 17 -1.789 -12.100 -14.545 286 HB2 LEU 17 HB2 LEU 17 -0.188 -10.324 -15.291 287 HB3 LEU 17 HB3 LEU 17 0.103 -9.866 -13.640 288 HG LEU 17 HG LEU 17 1.093 -11.933 -13.035 289 HD11 LEU 17 HD11 LEU 17 0.669 -12.798 -15.931 290 HD12 LEU 17 HD12 LEU 17 -0.030 -13.560 -14.489 291 HD13 LEU 17 HD13 LEU 17 1.713 -13.641 -14.767 292 HD21 LEU 17 HD21 LEU 17 3.158 -11.735 -14.388 293 HD22 LEU 17 HD22 LEU 17 2.495 -10.137 -14.016 294 HD23 LEU 17 HD23 LEU 17 2.268 -10.832 -15.635 295 H VAL 18 H VAL 18 -1.539 -9.789 -11.909 296 HA VAL 18 HA VAL 18 -0.796 -11.527 -9.772 297 HB VAL 18 HB VAL 18 -1.973 -8.693 -9.953 298 HG11 VAL 18 HG11 VAL 18 -2.614 -9.472 -7.801 299 HG12 VAL 18 HG12 VAL 18 -1.083 -10.368 -7.573 300 HG13 VAL 18 HG13 VAL 18 -1.094 -8.606 -7.544 301 HG21 VAL 18 HG21 VAL 18 0.347 -8.057 -9.536 302 HG22 VAL 18 HG22 VAL 18 0.783 -9.728 -9.139 303 HG23 VAL 18 HG23 VAL 18 0.429 -9.278 -10.793 304 H CYS 19 H CYS 19 -3.873 -10.435 -11.003 305 HA CYS 19 HA CYS 19 -5.401 -12.017 -9.000 306 HB2 CYS 19 HB2 CYS 19 -6.289 -10.166 -11.215 307 HB3 CYS 19 HB3 CYS 19 -7.365 -10.964 -10.058 308 H GLY 20 H GLY 20 -4.117 -12.421 -12.157 309 HA2 GLY 20 HA2 GLY 20 -4.274 -14.121 -13.697 310 HA3 GLY 20 HA3 GLY 20 -4.473 -15.142 -12.272 311 H GLU 21 H GLU 21 -6.577 -12.832 -14.007 312 HA GLU 21 HA GLU 21 -8.767 -12.780 -14.513 313 HB2 GLU 21 HB2 GLU 21 -8.003 -15.532 -15.476 314 HB3 GLU 21 HB3 GLU 21 -9.550 -14.764 -15.865 315 HG2 GLU 21 HG2 GLU 21 -8.378 -12.874 -16.915 316 HG3 GLU 21 HG3 GLU 21 -6.818 -13.613 -16.534 317 H ARG 22 H ARG 22 -8.175 -14.108 -11.671 318 HA ARG 22 HA ARG 22 -10.758 -15.341 -11.054 319 HB2 ARG 22 HB2 ARG 22 -8.848 -13.883 -9.194 320 HB3 ARG 22 HB3 ARG 22 -10.151 -14.985 -8.734 321 HG2 ARG 22 HG2 ARG 22 -8.961 -16.864 -9.863 322 HG3 ARG 22 HG3 ARG 22 -7.610 -15.795 -10.209 323 HD2 ARG 22 HD2 ARG 22 -8.628 -16.696 -7.501 324 HD3 ARG 22 HD3 ARG 22 -7.064 -17.049 -8.225 325 HE ARG 22 HE ARG 22 -7.946 -14.566 -6.847 326 HH11 ARG 22 HH11 ARG 22 -6.676 -13.117 -6.262 327 HH12 ARG 22 HH12 ARG 22 -4.981 -13.041 -6.779 328 HH21 ARG 22 HH21 ARG 22 -5.291 -15.849 -8.771 329 HH22 ARG 22 HH22 ARG 22 -4.227 -14.578 -8.206 330 H GLY 23 H GLY 23 -9.686 -12.086 -11.450 331 HA2 GLY 23 HA2 GLY 23 -11.327 -10.497 -12.198 332 HA3 GLY 23 HA3 GLY 23 -12.468 -11.069 -11.008 333 H PHE 24 H PHE 24 -11.780 -8.462 -11.464 334 HA PHE 24 HA PHE 24 -10.887 -7.273 -8.976 335 HB2 PHE 24 HB2 PHE 24 -8.950 -6.152 -10.009 336 HB3 PHE 24 HB3 PHE 24 -8.713 -7.884 -9.956 337 HD1 PHE 24 HD1 PHE 24 -8.881 -9.288 -12.019 338 HD2 PHE 24 HD2 PHE 24 -8.859 -4.981 -12.138 339 HE1 PHE 24 HE1 PHE 24 -8.304 -9.369 -14.417 340 HE2 PHE 24 HE2 PHE 24 -8.086 -5.059 -14.513 341 HZ PHE 24 HZ PHE 24 -7.890 -7.251 -15.667 342 H PHE 25 H PHE 25 -10.721 -4.777 -9.321 343 HA PHE 25 HA PHE 25 -11.781 -3.757 -11.825 344 HB2 PHE 25 HB2 PHE 25 -13.816 -4.061 -10.445 345 HB3 PHE 25 HB3 PHE 25 -13.097 -3.086 -9.169 346 HD1 PHE 25 HD1 PHE 25 -13.172 -2.521 -12.910 347 HD2 PHE 25 HD2 PHE 25 -14.479 -1.198 -9.021 348 HE1 PHE 25 HE1 PHE 25 -14.124 -0.468 -13.930 349 HE2 PHE 25 HE2 PHE 25 -15.472 0.838 -10.053 350 HZ PHE 25 HZ PHE 25 -15.282 1.215 -12.505 351 H TYR 26 H TYR 26 -10.677 -2.003 -12.418 352 HA TYR 26 HA TYR 26 -8.399 -1.259 -10.766 353 HB2 TYR 26 HB2 TYR 26 -7.615 -0.221 -12.954 354 HB3 TYR 26 HB3 TYR 26 -7.786 -1.955 -12.837 355 HD1 TYR 26 HD1 TYR 26 -9.184 1.090 -14.392 356 HD2 TYR 26 HD2 TYR 26 -9.460 -3.198 -14.090 357 HE1 TYR 26 HE1 TYR 26 -10.686 1.051 -16.384 358 HE2 TYR 26 HE2 TYR 26 -10.972 -3.242 -16.063 359 HH TYR 26 HH TYR 26 -11.924 -0.253 -17.809 360 H THR 27 H THR 27 -10.173 -0.116 -9.332 361 HA THR 27 HA THR 27 -11.099 2.468 -10.074 362 HB THR 27 HB THR 27 -11.378 2.826 -7.596 363 HG1 THR 27 HG1 THR 27 -9.635 1.402 -6.994 364 HG21 THR 27 HG21 THR 27 -13.141 1.776 -8.992 365 HG22 THR 27 HG22 THR 27 -13.123 1.158 -7.330 366 HG23 THR 27 HG23 THR 27 -12.431 0.179 -8.639 367 HA PRO 28 HA PRO 28 -7.293 4.818 -9.146 368 HB2 PRO 28 HB2 PRO 28 -8.027 7.248 -10.099 369 HB3 PRO 28 HB3 PRO 28 -7.621 5.887 -11.184 370 HG2 PRO 28 HG2 PRO 28 -10.386 6.814 -10.315 371 HG3 PRO 28 HG3 PRO 28 -9.812 6.438 -11.971 372 HD2 PRO 28 HD2 PRO 28 -11.180 4.635 -10.409 373 HD3 PRO 28 HD3 PRO 28 -9.930 4.135 -11.595 374 H LYS 29 H LYS 29 -10.604 5.598 -8.219 375 HA LYS 29 HA LYS 29 -9.788 6.291 -5.483 376 HB2 LYS 29 HB2 LYS 29 -9.880 8.437 -6.877 377 HB3 LYS 29 HB3 LYS 29 -11.612 8.156 -7.079 378 HG2 LYS 29 HG2 LYS 29 -11.852 8.223 -4.566 379 HG3 LYS 29 HG3 LYS 29 -10.127 8.568 -4.433 380 HD2 LYS 29 HD2 LYS 29 -12.211 10.298 -5.849 381 HD3 LYS 29 HD3 LYS 29 -11.565 10.582 -4.226 382 HE2 LYS 29 HE2 LYS 29 -9.286 10.822 -5.195 383 HE3 LYS 29 HE3 LYS 29 -9.951 10.572 -6.814 384 HZ1 LYS 29 HZ1 LYS 29 -11.286 12.587 -6.507 385 HZ2 LYS 29 HZ2 LYS 29 -9.704 12.937 -6.325 386 HZ3 LYS 29 HZ3 LYS 29 -10.668 12.816 -5.007 387 H THR 30 H THR 30 -11.507 6.002 -3.974 388 HA THR 30 HA THR 30 -13.596 4.098 -4.796 389 HB THR 30 HB THR 30 -13.992 3.963 -2.307 390 HG1 THR 30 HG1 THR 30 -12.456 4.984 -1.003 391 HG21 THR 30 HG21 THR 30 -11.085 3.561 -3.138 392 HG22 THR 30 HG22 THR 30 -12.408 2.418 -3.448 393 HG23 THR 30 HG23 THR 30 -11.925 2.785 -1.782 394 H ARG 31 H ARG 31 -13.553 7.424 -4.757 395 HA ARG 31 HA ARG 31 -16.473 7.678 -4.136 396 HB2 ARG 31 HB2 ARG 31 -14.233 9.623 -3.455 397 HB3 ARG 31 HB3 ARG 31 -15.962 9.965 -3.325 398 HG2 ARG 31 HG2 ARG 31 -16.204 8.119 -1.676 399 HG3 ARG 31 HG3 ARG 31 -14.476 7.773 -1.795 400 HD2 ARG 31 HD2 ARG 31 -14.843 9.076 0.193 401 HD3 ARG 31 HD3 ARG 31 -13.949 10.040 -0.969 402 HE ARG 31 HE ARG 31 -15.725 11.520 -1.169 403 HH11 ARG 31 HH11 ARG 31 -17.614 12.494 -0.551 404 HH12 ARG 31 HH12 ARG 31 -18.728 11.656 0.490 405 HH21 ARG 31 HH21 ARG 31 -16.873 8.785 0.703 406 HH22 ARG 31 HH22 ARG 31 -18.335 9.615 1.172 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -5.479 5.197 -2.746 2 H2 GLY 1 H2 GLY 1 -6.659 6.115 -3.421 3 H3 GLY 1 H3 GLY 1 -5.079 6.464 -3.700 4 HA2 GLY 1 HA2 GLY 1 -6.465 4.017 -4.593 5 HA3 GLY 1 HA3 GLY 1 -6.068 5.399 -5.637 6 H ILE 2 H ILE 2 -5.178 2.521 -5.740 7 HA ILE 2 HA ILE 2 -2.402 2.410 -4.833 8 HB ILE 2 HB ILE 2 -3.682 0.403 -4.777 9 HG12 ILE 2 HG12 ILE 2 -1.808 0.097 -7.159 10 HG13 ILE 2 HG13 ILE 2 -1.240 0.265 -5.491 11 HG21 ILE 2 HG21 ILE 2 -4.160 0.823 -7.753 12 HG22 ILE 2 HG22 ILE 2 -4.626 -0.621 -6.794 13 HG23 ILE 2 HG23 ILE 2 -5.389 0.916 -6.475 14 HD11 ILE 2 HD11 ILE 2 -2.900 -2.053 -6.607 15 HD12 ILE 2 HD12 ILE 2 -1.193 -2.044 -6.092 16 HD13 ILE 2 HD13 ILE 2 -2.482 -1.831 -4.897 17 H VAL 3 H VAL 3 -3.968 2.873 -8.019 18 HA VAL 3 HA VAL 3 -2.023 3.315 -9.811 19 HB VAL 3 HB VAL 3 -4.138 5.409 -9.179 20 HG11 VAL 3 HG11 VAL 3 -2.956 4.507 -11.844 21 HG12 VAL 3 HG12 VAL 3 -4.226 5.727 -11.614 22 HG13 VAL 3 HG13 VAL 3 -2.602 6.042 -11.016 23 HG21 VAL 3 HG21 VAL 3 -5.681 4.160 -10.676 24 HG22 VAL 3 HG22 VAL 3 -4.550 2.803 -10.687 25 HG23 VAL 3 HG23 VAL 3 -5.344 3.305 -9.178 26 H GLU 4 H GLU 4 -2.606 5.540 -7.060 27 HA GLU 4 HA GLU 4 -0.788 7.487 -8.097 28 HB2 GLU 4 HB2 GLU 4 -2.530 7.936 -6.366 29 HB3 GLU 4 HB3 GLU 4 -1.582 7.024 -5.186 30 HG2 GLU 4 HG2 GLU 4 0.273 8.636 -5.392 31 HG3 GLU 4 HG3 GLU 4 -0.594 9.502 -6.657 32 H GLN 5 H GLN 5 -0.341 4.680 -5.985 33 HA GLN 5 HA GLN 5 2.490 5.088 -5.461 34 HB2 GLN 5 HB2 GLN 5 0.468 3.607 -4.311 35 HB3 GLN 5 HB3 GLN 5 1.266 2.363 -5.231 36 HG2 GLN 5 HG2 GLN 5 2.542 4.178 -3.143 37 HG3 GLN 5 HG3 GLN 5 2.120 2.478 -2.943 38 HE21 GLN 5 HE21 GLN 5 3.206 0.959 -4.719 39 HE22 GLN 5 HE22 GLN 5 4.885 1.327 -5.064 40 H CYS 6 H CYS 6 0.584 2.975 -7.635 41 HA CYS 6 HA CYS 6 2.821 1.571 -8.728 42 HB2 CYS 6 HB2 CYS 6 -0.094 1.870 -9.510 43 HB3 CYS 6 HB3 CYS 6 1.071 1.035 -10.547 44 H CYS 7 H CYS 7 1.009 4.428 -9.945 45 HA CYS 7 HA CYS 7 2.430 4.238 -12.461 46 HB2 CYS 7 HB2 CYS 7 0.082 4.815 -12.411 47 HB3 CYS 7 HB3 CYS 7 0.345 6.193 -11.397 48 H THR 8 H THR 8 2.651 6.331 -9.544 49 HA THR 8 HA THR 8 4.755 8.002 -10.807 50 HB THR 8 HB THR 8 4.713 9.420 -8.974 51 HG1 THR 8 HG1 THR 8 2.925 7.760 -7.559 52 HG21 THR 8 HG21 THR 8 1.834 8.567 -9.395 53 HG22 THR 8 HG22 THR 8 2.775 9.620 -10.472 54 HG23 THR 8 HG23 THR 8 2.415 10.148 -8.816 55 H SER 9 H SER 9 4.545 5.376 -8.459 56 HA SER 9 HA SER 9 7.512 5.306 -8.446 57 HB2 SER 9 HB2 SER 9 6.780 6.016 -6.263 58 HB3 SER 9 HB3 SER 9 5.712 4.610 -6.124 59 HG SER 9 HG SER 9 7.773 4.403 -5.061 60 H ILE 10 H ILE 10 6.854 2.634 -6.923 61 HA ILE 10 HA ILE 10 6.348 0.987 -9.351 62 HB ILE 10 HB ILE 10 8.340 -0.384 -8.707 63 HG12 ILE 10 HG12 ILE 10 8.847 1.929 -6.768 64 HG13 ILE 10 HG13 ILE 10 8.600 0.236 -6.374 65 HG21 ILE 10 HG21 ILE 10 9.905 1.011 -9.843 66 HG22 ILE 10 HG22 ILE 10 8.306 1.381 -10.500 67 HG23 ILE 10 HG23 ILE 10 9.063 2.491 -9.340 68 HD11 ILE 10 HD11 ILE 10 10.918 0.795 -6.135 69 HD12 ILE 10 HD12 ILE 10 10.776 -0.264 -7.562 70 HD13 ILE 10 HD13 ILE 10 10.983 1.511 -7.746 71 H CYS 11 H CYS 11 5.440 -0.974 -9.110 72 HA CYS 11 HA CYS 11 4.796 -2.017 -6.394 73 HB2 CYS 11 HB2 CYS 11 2.431 -1.957 -6.855 74 HB3 CYS 11 HB3 CYS 11 3.120 -0.339 -6.967 75 H SER 12 H SER 12 3.481 -4.094 -6.540 76 HA SER 12 HA SER 12 4.018 -5.900 -8.812 77 HB2 SER 12 HB2 SER 12 5.418 -7.395 -7.493 78 HB3 SER 12 HB3 SER 12 6.189 -5.811 -7.590 79 HG SER 12 HG SER 12 5.550 -5.384 -5.490 80 H LEU 13 H LEU 13 3.597 -8.371 -7.595 81 HA LEU 13 HA LEU 13 0.828 -8.423 -7.050 82 HB2 LEU 13 HB2 LEU 13 2.907 -10.475 -6.166 83 HB3 LEU 13 HB3 LEU 13 1.185 -10.727 -6.349 84 HG LEU 13 HG LEU 13 1.358 -10.639 -8.763 85 HD11 LEU 13 HD11 LEU 13 3.608 -10.887 -9.858 86 HD12 LEU 13 HD12 LEU 13 4.335 -10.279 -8.362 87 HD13 LEU 13 HD13 LEU 13 3.227 -9.258 -9.327 88 HD21 LEU 13 HD21 LEU 13 3.324 -12.561 -7.500 89 HD22 LEU 13 HD22 LEU 13 2.482 -12.774 -9.048 90 HD23 LEU 13 HD23 LEU 13 1.562 -12.756 -7.541 91 H TYR 14 H TYR 14 3.487 -7.848 -4.925 92 HA TYR 14 HA TYR 14 2.273 -8.313 -2.391 93 HB2 TYR 14 HB2 TYR 14 4.739 -7.453 -3.399 94 HB3 TYR 14 HB3 TYR 14 4.139 -6.020 -2.608 95 HD1 TYR 14 HD1 TYR 14 5.357 -9.439 -2.276 96 HD2 TYR 14 HD2 TYR 14 3.697 -6.110 -0.101 97 HE1 TYR 14 HE1 TYR 14 6.102 -10.476 -0.129 98 HE2 TYR 14 HE2 TYR 14 4.445 -7.137 2.048 99 HH TYR 14 HH TYR 14 6.182 -10.282 2.156 100 H GLN 15 H GLN 15 1.743 -5.774 -4.749 101 HA GLN 15 HA GLN 15 0.066 -4.203 -2.813 102 HB2 GLN 15 HB2 GLN 15 1.267 -3.254 -5.426 103 HB3 GLN 15 HB3 GLN 15 0.365 -2.327 -4.221 104 HG2 GLN 15 HG2 GLN 15 2.262 -3.221 -2.584 105 HG3 GLN 15 HG3 GLN 15 3.184 -3.417 -4.073 106 HE21 GLN 15 HE21 GLN 15 3.923 -1.639 -1.956 107 HE22 GLN 15 HE22 GLN 15 3.769 -0.011 -2.590 108 H LEU 16 H LEU 16 0.190 -5.356 -6.212 109 HA LEU 16 HA LEU 16 -2.354 -4.419 -7.048 110 HB2 LEU 16 HB2 LEU 16 -0.434 -6.533 -7.990 111 HB3 LEU 16 HB3 LEU 16 -2.007 -6.279 -8.777 112 HG LEU 16 HG LEU 16 -0.035 -5.303 -9.880 113 HD11 LEU 16 HD11 LEU 16 -1.910 -3.082 -9.217 114 HD12 LEU 16 HD12 LEU 16 -2.579 -4.538 -9.965 115 HD13 LEU 16 HD13 LEU 16 -1.313 -3.652 -10.794 116 HD21 LEU 16 HD21 LEU 16 0.602 -3.055 -9.255 117 HD22 LEU 16 HD22 LEU 16 1.211 -4.255 -8.125 118 HD23 LEU 16 HD23 LEU 16 -0.191 -3.250 -7.674 119 H GLU 17 H GLU 17 -1.669 -7.493 -5.273 120 HA GLU 17 HA GLU 17 -4.209 -8.575 -6.134 121 HB2 GLU 17 HB2 GLU 17 -2.069 -9.846 -5.227 122 HB3 GLU 17 HB3 GLU 17 -2.943 -9.717 -3.686 123 HG2 GLU 17 HG2 GLU 17 -4.994 -10.638 -4.951 124 HG3 GLU 17 HG3 GLU 17 -3.942 -10.894 -6.335 125 H ASN 18 H ASN 18 -3.598 -6.077 -4.117 126 HA ASN 18 HA ASN 18 -5.909 -6.365 -2.313 127 HB2 ASN 18 HB2 ASN 18 -4.185 -3.966 -3.106 128 HB3 ASN 18 HB3 ASN 18 -5.546 -3.860 -2.028 129 HD21 ASN 18 HD21 ASN 18 -2.238 -4.837 -2.305 130 HD22 ASN 18 HD22 ASN 18 -2.022 -5.307 -0.613 131 H TYR 19 H TYR 19 -5.506 -5.599 -5.734 132 HA TYR 19 HA TYR 19 -8.028 -4.035 -5.859 133 HB2 TYR 19 HB2 TYR 19 -6.099 -5.264 -7.833 134 HB3 TYR 19 HB3 TYR 19 -7.654 -4.632 -8.331 135 HD1 TYR 19 HD1 TYR 19 -8.172 -2.148 -7.508 136 HD2 TYR 19 HD2 TYR 19 -4.320 -3.931 -8.133 137 HE1 TYR 19 HE1 TYR 19 -7.376 -0.053 -8.622 138 HE2 TYR 19 HE2 TYR 19 -3.661 -2.059 -9.570 139 HH TYR 19 HH TYR 19 -5.904 0.731 -10.180 140 H CYS 20 H CYS 20 -6.907 -7.375 -6.394 141 HA CYS 20 HA CYS 20 -9.050 -8.158 -7.970 142 HB2 CYS 20 HB2 CYS 20 -7.509 -10.036 -6.182 143 HB3 CYS 20 HB3 CYS 20 -8.287 -10.380 -7.747 144 H ASN 21 H ASN 21 -10.929 -9.362 -7.606 145 HA ASN 21 HA ASN 21 -11.988 -9.376 -4.885 146 HB2 ASN 21 HB2 ASN 21 -14.023 -10.000 -5.770 147 HB3 ASN 21 HB3 ASN 21 -13.330 -9.152 -7.146 148 HD21 ASN 21 HD21 ASN 21 -11.818 -10.928 -8.508 149 HD22 ASN 21 HD22 ASN 21 -12.780 -12.335 -8.935 150 H SER 22 H SER 22 -12.535 -11.310 -3.660 151 HA SER 22 HA SER 22 -10.993 -13.796 -4.244 152 HB2 SER 22 HB2 SER 22 -10.688 -12.118 -1.730 153 HB3 SER 22 HB3 SER 22 -10.043 -13.756 -1.969 154 HG SER 22 HG SER 22 -8.526 -12.015 -2.434 155 H1 PHE 1 H1 PHE 1 10.550 -12.278 -7.759 156 H2 PHE 1 H2 PHE 1 9.232 -13.246 -7.871 157 H3 PHE 1 H3 PHE 1 9.265 -12.015 -6.784 158 HA PHE 1 HA PHE 1 9.301 -11.716 -9.707 159 HB2 PHE 1 HB2 PHE 1 7.022 -10.719 -9.442 160 HB3 PHE 1 HB3 PHE 1 7.136 -12.430 -9.136 161 HD1 PHE 1 HD1 PHE 1 7.095 -9.126 -7.295 162 HD2 PHE 1 HD2 PHE 1 6.142 -13.337 -7.223 163 HE1 PHE 1 HE1 PHE 1 5.819 -8.807 -5.197 164 HE2 PHE 1 HE2 PHE 1 4.857 -13.010 -5.135 165 HZ PHE 1 HZ PHE 1 4.621 -10.733 -4.168 166 H VAL 2 H VAL 2 8.455 -9.319 -10.171 167 HA VAL 2 HA VAL 2 10.356 -7.479 -8.777 168 HB VAL 2 HB VAL 2 10.706 -6.540 -11.168 169 HG11 VAL 2 HG11 VAL 2 12.579 -8.070 -11.547 170 HG12 VAL 2 HG12 VAL 2 12.445 -7.628 -9.839 171 HG13 VAL 2 HG13 VAL 2 11.891 -9.226 -10.383 172 HG21 VAL 2 HG21 VAL 2 10.527 -8.050 -13.021 173 HG22 VAL 2 HG22 VAL 2 10.020 -9.400 -11.989 174 HG23 VAL 2 HG23 VAL 2 8.933 -8.027 -12.255 175 H LYS 3 H LYS 3 10.035 -5.273 -8.930 176 HA LYS 3 HA LYS 3 7.221 -4.401 -9.158 177 HB2 LYS 3 HB2 LYS 3 9.608 -2.860 -8.074 178 HB3 LYS 3 HB3 LYS 3 7.897 -2.450 -7.902 179 HG2 LYS 3 HG2 LYS 3 7.524 -4.424 -6.489 180 HG3 LYS 3 HG3 LYS 3 9.224 -4.908 -6.679 181 HD2 LYS 3 HD2 LYS 3 9.894 -2.690 -5.662 182 HD3 LYS 3 HD3 LYS 3 8.173 -2.409 -5.290 183 HE2 LYS 3 HE2 LYS 3 8.128 -4.555 -4.013 184 HE3 LYS 3 HE3 LYS 3 9.822 -4.839 -4.435 185 HZ1 LYS 3 HZ1 LYS 3 10.408 -2.835 -3.170 186 HZ2 LYS 3 HZ2 LYS 3 9.599 -3.868 -2.204 187 HZ3 LYS 3 HZ3 LYS 3 8.847 -2.545 -2.792 188 H GLN 4 H GLN 4 6.496 -2.806 -10.513 189 HA GLN 4 HA GLN 4 8.421 -1.450 -12.361 190 HB2 GLN 4 HB2 GLN 4 5.775 -2.694 -13.211 191 HB3 GLN 4 HB3 GLN 4 6.818 -1.701 -14.211 192 HG2 GLN 4 HG2 GLN 4 7.109 -3.922 -14.933 193 HG3 GLN 4 HG3 GLN 4 8.596 -3.421 -14.109 194 HE21 GLN 4 HE21 GLN 4 6.224 -6.020 -11.959 195 HE22 GLN 4 HE22 GLN 4 5.429 -4.691 -12.832 196 H HIS 5 H HIS 5 7.630 0.467 -13.332 197 HA HIS 5 HA HIS 5 5.551 1.957 -11.859 198 HB2 HIS 5 HB2 HIS 5 6.327 3.765 -13.537 199 HB3 HIS 5 HB3 HIS 5 7.364 3.341 -12.184 200 HD1 HIS 5 HD1 HIS 5 9.828 2.928 -12.800 201 HD2 HIS 5 HD2 HIS 5 7.140 2.299 -15.980 202 HE1 HIS 5 HE1 HIS 5 11.249 2.346 -14.835 203 H LEU 6 H LEU 6 3.506 2.046 -12.551 204 HA LEU 6 HA LEU 6 2.842 1.473 -15.400 205 HB2 LEU 6 HB2 LEU 6 1.586 -0.083 -13.116 206 HB3 LEU 6 HB3 LEU 6 1.426 -0.349 -14.823 207 HG LEU 6 HG LEU 6 4.050 -0.789 -13.435 208 HD11 LEU 6 HD11 LEU 6 3.435 -3.142 -13.307 209 HD12 LEU 6 HD12 LEU 6 1.800 -2.740 -13.856 210 HD13 LEU 6 HD13 LEU 6 2.403 -2.115 -12.305 211 HD21 LEU 6 HD21 LEU 6 4.043 -0.742 -16.007 212 HD22 LEU 6 HD22 LEU 6 2.965 -2.160 -15.918 213 HD23 LEU 6 HD23 LEU 6 4.597 -2.241 -15.271 214 H CYS 7 H CYS 7 1.140 2.523 -16.092 215 HA CYS 7 HA CYS 7 -0.861 3.721 -14.210 216 HB2 CYS 7 HB2 CYS 7 0.873 5.083 -16.026 217 HB3 CYS 7 HB3 CYS 7 -0.720 5.098 -16.754 218 H GLY 8 H GLY 8 -2.992 3.230 -14.706 219 HA2 GLY 8 HA2 GLY 8 -4.855 2.404 -15.813 220 HA3 GLY 8 HA3 GLY 8 -4.124 3.117 -17.248 221 H SER 9 H SER 9 -3.783 1.726 -18.894 222 HA SER 9 HA SER 9 -4.323 -1.023 -18.909 223 HB2 SER 9 HB2 SER 9 -2.387 0.523 -20.692 224 HB3 SER 9 HB3 SER 9 -3.191 -1.008 -21.096 225 HG SER 9 HG SER 9 -4.292 0.805 -22.000 226 H HIS 10 H HIS 10 -1.112 0.532 -18.368 227 HA HIS 10 HA HIS 10 0.381 -1.987 -18.392 228 HB2 HIS 10 HB2 HIS 10 0.959 0.700 -17.071 229 HB3 HIS 10 HB3 HIS 10 2.111 -0.603 -17.190 230 HD1 HIS 10 HD1 HIS 10 2.847 -1.164 -19.932 231 HD2 HIS 10 HD2 HIS 10 0.741 2.340 -18.979 232 HE1 HIS 10 HE1 HIS 10 3.097 0.377 -21.950 233 H LEU 11 H LEU 11 -1.309 -0.066 -15.960 234 HA LEU 11 HA LEU 11 -0.220 -1.434 -13.664 235 HB2 LEU 11 HB2 LEU 11 -1.376 0.958 -14.041 236 HB3 LEU 11 HB3 LEU 11 -2.851 0.063 -13.703 237 HG LEU 11 HG LEU 11 -0.450 0.568 -11.909 238 HD11 LEU 11 HD11 LEU 11 -3.410 1.232 -11.864 239 HD12 LEU 11 HD12 LEU 11 -2.032 2.363 -11.947 240 HD13 LEU 11 HD13 LEU 11 -2.363 1.422 -10.462 241 HD21 LEU 11 HD21 LEU 11 -0.962 -1.660 -11.418 242 HD22 LEU 11 HD22 LEU 11 -2.726 -1.372 -11.492 243 HD23 LEU 11 HD23 LEU 11 -1.752 -0.709 -10.158 244 H VAL 12 H VAL 12 -3.224 -1.619 -15.545 245 HA VAL 12 HA VAL 12 -4.383 -3.945 -14.310 246 HB VAL 12 HB VAL 12 -4.636 -2.812 -17.123 247 HG11 VAL 12 HG11 VAL 12 -5.176 -5.154 -17.367 248 HG12 VAL 12 HG12 VAL 12 -6.123 -5.147 -15.868 249 HG13 VAL 12 HG13 VAL 12 -6.691 -4.254 -17.301 250 HG21 VAL 12 HG21 VAL 12 -6.540 -2.868 -14.742 251 HG22 VAL 12 HG22 VAL 12 -5.584 -1.461 -15.246 252 HG23 VAL 12 HG23 VAL 12 -6.844 -2.094 -16.313 253 H GLU 13 H GLU 13 -1.716 -3.616 -16.751 254 HA GLU 13 HA GLU 13 -1.777 -6.405 -17.470 255 HB2 GLU 13 HB2 GLU 13 -0.662 -4.496 -18.736 256 HB3 GLU 13 HB3 GLU 13 0.667 -4.624 -17.583 257 HG2 GLU 13 HG2 GLU 13 1.092 -6.932 -18.262 258 HG3 GLU 13 HG3 GLU 13 -0.344 -6.933 -19.285 259 H ALA 14 H ALA 14 -0.549 -4.713 -14.621 260 HA ALA 14 HA ALA 14 0.815 -7.178 -13.651 261 HB1 ALA 14 HB1 ALA 14 1.859 -5.040 -13.121 262 HB2 ALA 14 HB2 ALA 14 0.361 -4.437 -12.413 263 HB3 ALA 14 HB3 ALA 14 1.212 -5.815 -11.644 264 H LEU 15 H LEU 15 -2.008 -5.115 -12.760 265 HA LEU 15 HA LEU 15 -3.161 -6.540 -10.767 266 HB2 LEU 15 HB2 LEU 15 -3.751 -4.371 -12.232 267 HB3 LEU 15 HB3 LEU 15 -4.882 -5.488 -13.011 268 HG LEU 15 HG LEU 15 -4.720 -4.699 -10.122 269 HD11 LEU 15 HD11 LEU 15 -5.633 -2.962 -11.536 270 HD12 LEU 15 HD12 LEU 15 -6.971 -3.699 -10.647 271 HD13 LEU 15 HD13 LEU 15 -6.695 -4.116 -12.355 272 HD21 LEU 15 HD21 LEU 15 -6.865 -5.989 -9.936 273 HD22 LEU 15 HD22 LEU 15 -5.383 -6.904 -10.038 274 HD23 LEU 15 HD23 LEU 15 -6.416 -6.744 -11.485 275 H TYR 16 H TYR 16 -3.756 -7.086 -14.194 276 HA TYR 16 HA TYR 16 -5.618 -9.269 -14.076 277 HB2 TYR 16 HB2 TYR 16 -5.052 -7.549 -15.892 278 HB3 TYR 16 HB3 TYR 16 -3.629 -8.493 -16.275 279 HD1 TYR 16 HD1 TYR 16 -4.500 -11.254 -16.607 280 HD2 TYR 16 HD2 TYR 16 -6.565 -7.570 -17.531 281 HE1 TYR 16 HE1 TYR 16 -5.896 -12.455 -18.238 282 HE2 TYR 16 HE2 TYR 16 -7.963 -8.793 -19.198 283 HH TYR 16 HH TYR 16 -8.423 -10.796 -20.197 284 H LEU 17 H LEU 17 -2.119 -9.217 -13.901 285 HA LEU 17 HA LEU 17 -1.769 -12.096 -14.430 286 HB2 LEU 17 HB2 LEU 17 -0.165 -10.324 -15.177 287 HB3 LEU 17 HB3 LEU 17 0.086 -9.834 -13.539 288 HG LEU 17 HG LEU 17 1.043 -11.909 -12.846 289 HD11 LEU 17 HD11 LEU 17 0.020 -13.522 -14.420 290 HD12 LEU 17 HD12 LEU 17 1.780 -13.588 -14.564 291 HD13 LEU 17 HD13 LEU 17 0.827 -12.729 -15.791 292 HD21 LEU 17 HD21 LEU 17 2.369 -10.750 -15.336 293 HD22 LEU 17 HD22 LEU 17 3.184 -11.676 -14.056 294 HD23 LEU 17 HD23 LEU 17 2.478 -10.095 -13.688 295 H VAL 18 H VAL 18 -1.623 -9.733 -11.852 296 HA VAL 18 HA VAL 18 -0.776 -11.336 -9.659 297 HB VAL 18 HB VAL 18 -2.336 -8.703 -9.800 298 HG11 VAL 18 HG11 VAL 18 -0.965 -10.182 -7.538 299 HG12 VAL 18 HG12 VAL 18 -1.296 -8.454 -7.484 300 HG13 VAL 18 HG13 VAL 18 -2.639 -9.574 -7.636 301 HG21 VAL 18 HG21 VAL 18 0.279 -9.132 -10.704 302 HG22 VAL 18 HG22 VAL 18 -0.376 -7.607 -10.102 303 HG23 VAL 18 HG23 VAL 18 0.539 -8.653 -9.047 304 H CYS 19 H CYS 19 -3.931 -10.394 -10.889 305 HA CYS 19 HA CYS 19 -5.500 -11.983 -8.948 306 HB2 CYS 19 HB2 CYS 19 -6.153 -10.813 -11.674 307 HB3 CYS 19 HB3 CYS 19 -7.342 -11.506 -10.553 308 H GLY 20 H GLY 20 -4.075 -12.390 -12.147 309 HA2 GLY 20 HA2 GLY 20 -3.926 -14.088 -13.633 310 HA3 GLY 20 HA3 GLY 20 -4.236 -15.254 -12.317 311 H GLU 21 H GLU 21 -6.034 -12.651 -13.948 312 HA GLU 21 HA GLU 21 -8.131 -12.413 -14.743 313 HB2 GLU 21 HB2 GLU 21 -6.996 -14.285 -16.204 314 HB3 GLU 21 HB3 GLU 21 -8.277 -15.302 -15.546 315 HG2 GLU 21 HG2 GLU 21 -9.948 -13.572 -16.400 316 HG3 GLU 21 HG3 GLU 21 -8.600 -12.725 -17.143 317 H ARG 22 H ARG 22 -7.874 -13.765 -11.857 318 HA ARG 22 HA ARG 22 -10.367 -15.023 -11.349 319 HB2 ARG 22 HB2 ARG 22 -8.269 -15.058 -9.981 320 HB3 ARG 22 HB3 ARG 22 -8.604 -13.391 -9.462 321 HG2 ARG 22 HG2 ARG 22 -10.699 -14.182 -8.382 322 HG3 ARG 22 HG3 ARG 22 -10.395 -15.812 -9.005 323 HD2 ARG 22 HD2 ARG 22 -9.676 -15.822 -6.741 324 HD3 ARG 22 HD3 ARG 22 -8.216 -15.831 -7.730 325 HE ARG 22 HE ARG 22 -9.345 -13.320 -6.503 326 HH11 ARG 22 HH11 ARG 22 -8.108 -12.413 -4.867 327 HH12 ARG 22 HH12 ARG 22 -6.367 -12.699 -4.914 328 HH21 ARG 22 HH21 ARG 22 -6.394 -15.150 -7.167 329 HH22 ARG 22 HH22 ARG 22 -5.508 -14.146 -6.006 330 H GLY 23 H GLY 23 -9.598 -11.662 -11.655 331 HA2 GLY 23 HA2 GLY 23 -11.308 -10.177 -12.389 332 HA3 GLY 23 HA3 GLY 23 -12.459 -10.862 -11.240 333 H PHE 24 H PHE 24 -11.803 -8.184 -11.650 334 HA PHE 24 HA PHE 24 -11.039 -6.910 -9.137 335 HB2 PHE 24 HB2 PHE 24 -9.024 -5.888 -10.085 336 HB3 PHE 24 HB3 PHE 24 -8.840 -7.616 -9.988 337 HD1 PHE 24 HD1 PHE 24 -8.962 -4.738 -12.254 338 HD2 PHE 24 HD2 PHE 24 -8.808 -9.045 -12.034 339 HE1 PHE 24 HE1 PHE 24 -8.139 -4.840 -14.603 340 HE2 PHE 24 HE2 PHE 24 -8.139 -9.147 -14.399 341 HZ PHE 24 HZ PHE 24 -7.782 -7.048 -15.687 342 H PHE 25 H PHE 25 -10.734 -4.518 -9.531 343 HA PHE 25 HA PHE 25 -11.455 -3.403 -12.111 344 HB2 PHE 25 HB2 PHE 25 -13.657 -3.368 -11.069 345 HB3 PHE 25 HB3 PHE 25 -12.991 -2.666 -9.590 346 HD1 PHE 25 HD1 PHE 25 -13.653 -0.445 -9.340 347 HD2 PHE 25 HD2 PHE 25 -12.657 -1.862 -13.284 348 HE1 PHE 25 HE1 PHE 25 -13.931 1.859 -10.240 349 HE2 PHE 25 HE2 PHE 25 -12.885 0.440 -14.176 350 HZ PHE 25 HZ PHE 25 -13.515 2.309 -12.657 351 H TYR 26 H TYR 26 -10.336 -1.453 -12.452 352 HA TYR 26 HA TYR 26 -8.013 -1.233 -10.704 353 HB2 TYR 26 HB2 TYR 26 -7.050 0.038 -12.692 354 HB3 TYR 26 HB3 TYR 26 -7.370 -1.675 -12.816 355 HD1 TYR 26 HD1 TYR 26 -8.303 1.640 -14.077 356 HD2 TYR 26 HD2 TYR 26 -9.175 -2.582 -14.182 357 HE1 TYR 26 HE1 TYR 26 -9.732 1.977 -16.100 358 HE2 TYR 26 HE2 TYR 26 -10.604 -2.243 -16.197 359 HH TYR 26 HH TYR 26 -11.450 -0.724 -17.710 360 H THR 27 H THR 27 -10.786 0.486 -10.598 361 HA THR 27 HA THR 27 -11.373 2.613 -9.912 362 HB THR 27 HB THR 27 -10.758 2.867 -7.568 363 HG1 THR 27 HG1 THR 27 -8.612 2.265 -7.643 364 HG21 THR 27 HG21 THR 27 -11.264 -0.034 -8.314 365 HG22 THR 27 HG22 THR 27 -12.489 1.247 -8.114 366 HG23 THR 27 HG23 THR 27 -11.523 0.716 -6.728 367 HA PRO 28 HA PRO 28 -7.618 5.245 -10.783 368 HB2 PRO 28 HB2 PRO 28 -7.963 6.132 -13.289 369 HB3 PRO 28 HB3 PRO 28 -7.370 4.473 -12.951 370 HG2 PRO 28 HG2 PRO 28 -10.222 5.347 -13.587 371 HG3 PRO 28 HG3 PRO 28 -9.284 4.024 -14.347 372 HD2 PRO 28 HD2 PRO 28 -11.054 3.629 -12.256 373 HD3 PRO 28 HD3 PRO 28 -9.602 2.620 -12.519 374 H LYS 29 H LYS 29 -7.498 7.595 -11.181 375 HA LYS 29 HA LYS 29 -9.597 9.022 -9.781 376 HB2 LYS 29 HB2 LYS 29 -7.106 9.961 -11.272 377 HB3 LYS 29 HB3 LYS 29 -8.147 11.040 -10.374 378 HG2 LYS 29 HG2 LYS 29 -6.589 8.702 -9.195 379 HG3 LYS 29 HG3 LYS 29 -6.146 10.404 -9.094 380 HD2 LYS 29 HD2 LYS 29 -8.573 9.092 -7.788 381 HD3 LYS 29 HD3 LYS 29 -7.102 9.648 -6.995 382 HE2 LYS 29 HE2 LYS 29 -7.603 11.993 -7.724 383 HE3 LYS 29 HE3 LYS 29 -9.101 11.423 -8.478 384 HZ1 LYS 29 HZ1 LYS 29 -8.470 11.240 -5.576 385 HZ2 LYS 29 HZ2 LYS 29 -9.847 10.693 -6.263 386 HZ3 LYS 29 HZ3 LYS 29 -9.518 12.292 -6.249 387 H THR 30 H THR 30 -8.848 8.727 -13.200 388 HA THR 30 HA THR 30 -9.673 9.678 -15.085 389 HB THR 30 HB THR 30 -12.399 9.805 -13.777 390 HG1 THR 30 HG1 THR 30 -12.561 7.613 -14.148 391 HG21 THR 30 HG21 THR 30 -13.125 8.889 -15.973 392 HG22 THR 30 HG22 THR 30 -11.442 8.903 -16.544 393 HG23 THR 30 HG23 THR 30 -12.292 10.420 -16.193 394 H ARG 31 H ARG 31 -8.452 11.530 -13.439 395 HA ARG 31 HA ARG 31 -9.651 14.087 -14.377 396 HB2 ARG 31 HB2 ARG 31 -8.563 13.540 -11.580 397 HB3 ARG 31 HB3 ARG 31 -8.859 15.149 -12.228 398 HG2 ARG 31 HG2 ARG 31 -11.005 13.025 -11.785 399 HG3 ARG 31 HG3 ARG 31 -10.644 14.376 -10.710 400 HD2 ARG 31 HD2 ARG 31 -11.210 15.972 -12.519 401 HD3 ARG 31 HD3 ARG 31 -11.632 14.614 -13.580 402 HE ARG 31 HE ARG 31 -13.110 14.357 -11.162 403 HH11 ARG 31 HH11 ARG 31 -13.061 16.467 -13.956 404 HH12 ARG 31 HH12 ARG 31 -14.759 16.846 -13.814 405 HH21 ARG 31 HH21 ARG 31 -15.273 14.872 -11.050 406 HH22 ARG 31 HH22 ARG 31 -15.965 15.963 -12.216 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -5.126 6.009 -3.250 2 H2 GLY 1 H2 GLY 1 -5.647 4.557 -2.695 3 H3 GLY 1 H3 GLY 1 -6.729 5.691 -3.180 4 HA2 GLY 1 HA2 GLY 1 -6.533 3.977 -4.864 5 HA3 GLY 1 HA3 GLY 1 -5.980 5.557 -5.457 6 H ILE 2 H ILE 2 -5.201 2.444 -5.766 7 HA ILE 2 HA ILE 2 -2.425 2.340 -4.873 8 HB ILE 2 HB ILE 2 -3.755 0.341 -4.842 9 HG12 ILE 2 HG12 ILE 2 -1.766 0.034 -7.129 10 HG13 ILE 2 HG13 ILE 2 -1.284 0.187 -5.434 11 HG21 ILE 2 HG21 ILE 2 -4.644 -0.658 -6.880 12 HG22 ILE 2 HG22 ILE 2 -5.372 0.899 -6.630 13 HG23 ILE 2 HG23 ILE 2 -4.088 0.757 -7.843 14 HD11 ILE 2 HD11 ILE 2 -1.221 -2.108 -6.055 15 HD12 ILE 2 HD12 ILE 2 -2.574 -1.907 -4.930 16 HD13 ILE 2 HD13 ILE 2 -2.887 -2.094 -6.678 17 H VAL 3 H VAL 3 -4.007 2.936 -8.006 18 HA VAL 3 HA VAL 3 -2.069 3.338 -9.802 19 HB VAL 3 HB VAL 3 -4.079 5.490 -9.025 20 HG11 VAL 3 HG11 VAL 3 -2.934 4.699 -11.744 21 HG12 VAL 3 HG12 VAL 3 -4.162 5.948 -11.459 22 HG13 VAL 3 HG13 VAL 3 -2.530 6.175 -10.839 23 HG21 VAL 3 HG21 VAL 3 -5.635 4.363 -10.652 24 HG22 VAL 3 HG22 VAL 3 -4.571 2.965 -10.654 25 HG23 VAL 3 HG23 VAL 3 -5.390 3.453 -9.160 26 H GLU 4 H GLU 4 -2.404 5.406 -6.878 27 HA GLU 4 HA GLU 4 -0.468 7.270 -7.894 28 HB2 GLU 4 HB2 GLU 4 -2.068 7.817 -6.083 29 HB3 GLU 4 HB3 GLU 4 -1.202 6.723 -4.986 30 HG2 GLU 4 HG2 GLU 4 0.824 8.113 -5.154 31 HG3 GLU 4 HG3 GLU 4 0.051 9.140 -6.369 32 H GLN 5 H GLN 5 -0.171 4.390 -5.794 33 HA GLN 5 HA GLN 5 2.648 4.445 -5.307 34 HB2 GLN 5 HB2 GLN 5 0.802 3.147 -4.122 35 HB3 GLN 5 HB3 GLN 5 0.706 2.079 -5.485 36 HG2 GLN 5 HG2 GLN 5 2.008 1.122 -3.648 37 HG3 GLN 5 HG3 GLN 5 2.882 1.205 -5.177 38 HE21 GLN 5 HE21 GLN 5 4.879 2.053 -5.128 39 HE22 GLN 5 HE22 GLN 5 5.540 3.029 -3.805 40 H CYS 6 H CYS 6 0.623 2.750 -7.648 41 HA CYS 6 HA CYS 6 2.793 1.425 -8.950 42 HB2 CYS 6 HB2 CYS 6 -0.114 1.825 -9.677 43 HB3 CYS 6 HB3 CYS 6 1.034 0.990 -10.737 44 H CYS 7 H CYS 7 0.893 4.290 -10.067 45 HA CYS 7 HA CYS 7 2.325 4.285 -12.588 46 HB2 CYS 7 HB2 CYS 7 -0.046 4.840 -12.432 47 HB3 CYS 7 HB3 CYS 7 0.276 6.171 -11.361 48 H THR 8 H THR 8 2.414 6.337 -9.604 49 HA THR 8 HA THR 8 4.447 8.113 -10.803 50 HB THR 8 HB THR 8 4.267 9.542 -9.028 51 HG1 THR 8 HG1 THR 8 2.884 7.589 -7.506 52 HG21 THR 8 HG21 THR 8 2.197 9.467 -10.382 53 HG22 THR 8 HG22 THR 8 1.935 10.026 -8.715 54 HG23 THR 8 HG23 THR 8 1.475 8.371 -9.175 55 H SER 9 H SER 9 4.342 5.487 -8.452 56 HA SER 9 HA SER 9 7.313 5.618 -8.265 57 HB2 SER 9 HB2 SER 9 5.482 4.529 -6.119 58 HB3 SER 9 HB3 SER 9 7.246 4.624 -6.085 59 HG SER 9 HG SER 9 5.459 6.842 -6.270 60 H ILE 10 H ILE 10 6.488 2.772 -6.881 61 HA ILE 10 HA ILE 10 6.241 1.226 -9.376 62 HB ILE 10 HB ILE 10 8.094 -0.292 -8.605 63 HG12 ILE 10 HG12 ILE 10 8.826 2.043 -6.767 64 HG13 ILE 10 HG13 ILE 10 8.159 0.501 -6.239 65 HG21 ILE 10 HG21 ILE 10 9.092 2.508 -9.249 66 HG22 ILE 10 HG22 ILE 10 9.865 0.962 -9.634 67 HG23 ILE 10 HG23 ILE 10 8.359 1.416 -10.436 68 HD11 ILE 10 HD11 ILE 10 10.521 0.513 -5.846 69 HD12 ILE 10 HD12 ILE 10 10.189 -0.640 -7.150 70 HD13 ILE 10 HD13 ILE 10 10.874 0.965 -7.524 71 H CYS 11 H CYS 11 5.518 -0.941 -9.075 72 HA CYS 11 HA CYS 11 4.707 -1.876 -6.388 73 HB2 CYS 11 HB2 CYS 11 2.364 -1.968 -6.941 74 HB3 CYS 11 HB3 CYS 11 2.957 -0.319 -7.065 75 H SER 12 H SER 12 3.435 -4.020 -6.573 76 HA SER 12 HA SER 12 4.206 -5.817 -8.791 77 HB2 SER 12 HB2 SER 12 5.584 -7.206 -7.337 78 HB3 SER 12 HB3 SER 12 6.227 -5.558 -7.352 79 HG SER 12 HG SER 12 6.114 -6.282 -5.228 80 H LEU 13 H LEU 13 3.753 -8.278 -7.784 81 HA LEU 13 HA LEU 13 0.979 -8.285 -6.971 82 HB2 LEU 13 HB2 LEU 13 1.208 -10.771 -6.848 83 HB3 LEU 13 HB3 LEU 13 1.574 -10.070 -8.406 84 HG LEU 13 HG LEU 13 3.941 -10.353 -8.087 85 HD11 LEU 13 HD11 LEU 13 4.253 -10.222 -5.681 86 HD12 LEU 13 HD12 LEU 13 4.777 -11.813 -6.226 87 HD13 LEU 13 HD13 LEU 13 3.199 -11.637 -5.425 88 HD21 LEU 13 HD21 LEU 13 2.313 -12.867 -7.540 89 HD22 LEU 13 HD22 LEU 13 3.953 -12.810 -8.232 90 HD23 LEU 13 HD23 LEU 13 2.594 -12.126 -9.134 91 H TYR 14 H TYR 14 3.590 -7.560 -5.154 92 HA TYR 14 HA TYR 14 2.565 -8.630 -2.631 93 HB2 TYR 14 HB2 TYR 14 4.996 -7.644 -3.507 94 HB3 TYR 14 HB3 TYR 14 4.366 -6.271 -2.634 95 HD1 TYR 14 HD1 TYR 14 5.228 -9.864 -2.509 96 HD2 TYR 14 HD2 TYR 14 4.274 -6.379 -0.162 97 HE1 TYR 14 HE1 TYR 14 5.949 -11.070 -0.426 98 HE2 TYR 14 HE2 TYR 14 5.001 -7.566 1.910 99 HH TYR 14 HH TYR 14 5.824 -9.498 2.800 100 H GLN 15 H GLN 15 1.659 -6.116 -4.798 101 HA GLN 15 HA GLN 15 0.052 -4.707 -2.703 102 HB2 GLN 15 HB2 GLN 15 1.227 -3.392 -5.173 103 HB3 GLN 15 HB3 GLN 15 0.484 -2.644 -3.760 104 HG2 GLN 15 HG2 GLN 15 2.467 -3.824 -2.451 105 HG3 GLN 15 HG3 GLN 15 3.228 -3.910 -4.033 106 HE21 GLN 15 HE21 GLN 15 2.179 -1.738 -1.425 107 HE22 GLN 15 HE22 GLN 15 3.013 -0.331 -2.072 108 H LEU 16 H LEU 16 0.162 -5.452 -6.230 109 HA LEU 16 HA LEU 16 -2.377 -4.419 -6.991 110 HB2 LEU 16 HB2 LEU 16 -0.529 -6.542 -8.014 111 HB3 LEU 16 HB3 LEU 16 -2.106 -6.235 -8.789 112 HG LEU 16 HG LEU 16 -0.123 -5.301 -9.882 113 HD11 LEU 16 HD11 LEU 16 -2.614 -4.457 -9.992 114 HD12 LEU 16 HD12 LEU 16 -1.312 -3.525 -10.719 115 HD13 LEU 16 HD13 LEU 16 -1.958 -3.054 -9.127 116 HD21 LEU 16 HD21 LEU 16 1.177 -4.345 -8.110 117 HD22 LEU 16 HD22 LEU 16 -0.188 -3.290 -7.632 118 HD23 LEU 16 HD23 LEU 16 0.613 -3.112 -9.208 119 H GLU 17 H GLU 17 -1.864 -7.552 -5.266 120 HA GLU 17 HA GLU 17 -4.519 -8.385 -6.115 121 HB2 GLU 17 HB2 GLU 17 -4.270 -10.124 -4.186 122 HB3 GLU 17 HB3 GLU 17 -3.596 -10.315 -5.785 123 HG2 GLU 17 HG2 GLU 17 -1.411 -9.818 -5.082 124 HG3 GLU 17 HG3 GLU 17 -1.951 -9.215 -3.496 125 H ASN 18 H ASN 18 -3.690 -5.982 -4.132 126 HA ASN 18 HA ASN 18 -6.028 -6.118 -2.344 127 HB2 ASN 18 HB2 ASN 18 -4.162 -3.836 -3.156 128 HB3 ASN 18 HB3 ASN 18 -5.564 -3.604 -2.149 129 HD21 ASN 18 HD21 ASN 18 -2.340 -4.929 -2.254 130 HD22 ASN 18 HD22 ASN 18 -2.230 -5.284 -0.525 131 H TYR 19 H TYR 19 -5.579 -5.516 -5.770 132 HA TYR 19 HA TYR 19 -8.092 -3.914 -5.971 133 HB2 TYR 19 HB2 TYR 19 -6.151 -5.189 -7.890 134 HB3 TYR 19 HB3 TYR 19 -7.708 -4.588 -8.420 135 HD1 TYR 19 HD1 TYR 19 -4.377 -3.852 -8.166 136 HD2 TYR 19 HD2 TYR 19 -8.264 -2.093 -7.725 137 HE1 TYR 19 HE1 TYR 19 -3.663 -1.999 -9.594 138 HE2 TYR 19 HE2 TYR 19 -7.425 0.007 -8.848 139 HH TYR 19 HH TYR 19 -4.282 0.054 -10.552 140 H CYS 20 H CYS 20 -6.991 -7.293 -6.388 141 HA CYS 20 HA CYS 20 -9.050 -8.136 -7.937 142 HB2 CYS 20 HB2 CYS 20 -7.812 -9.931 -5.859 143 HB3 CYS 20 HB3 CYS 20 -8.510 -10.376 -7.445 144 H ASN 21 H ASN 21 -10.952 -9.331 -7.661 145 HA ASN 21 HA ASN 21 -12.532 -8.277 -5.543 146 HB2 ASN 21 HB2 ASN 21 -12.967 -8.295 -8.052 147 HB3 ASN 21 HB3 ASN 21 -13.249 -10.033 -7.939 148 HD21 ASN 21 HD21 ASN 21 -15.273 -9.315 -8.982 149 HD22 ASN 21 HD22 ASN 21 -16.569 -8.739 -7.941 150 H SER 22 H SER 22 -10.802 -10.184 -4.462 151 HA SER 22 HA SER 22 -12.032 -12.807 -4.120 152 HB2 SER 22 HB2 SER 22 -9.637 -11.535 -2.755 153 HB3 SER 22 HB3 SER 22 -10.093 -13.244 -2.662 154 HG SER 22 HG SER 22 -9.900 -13.302 -4.997 155 H1 PHE 1 H1 PHE 1 9.777 -11.307 -5.021 156 H2 PHE 1 H2 PHE 1 9.534 -9.709 -4.771 157 H3 PHE 1 H3 PHE 1 10.904 -10.219 -5.496 158 HA PHE 1 HA PHE 1 9.701 -11.016 -7.406 159 HB2 PHE 1 HB2 PHE 1 7.599 -11.472 -6.014 160 HB3 PHE 1 HB3 PHE 1 7.221 -9.760 -6.180 161 HD1 PHE 1 HD1 PHE 1 6.539 -8.857 -8.402 162 HD2 PHE 1 HD2 PHE 1 7.510 -13.029 -7.903 163 HE1 PHE 1 HE1 PHE 1 5.479 -9.361 -10.583 164 HE2 PHE 1 HE2 PHE 1 6.445 -13.527 -10.088 165 HZ PHE 1 HZ PHE 1 5.421 -11.700 -11.430 166 H VAL 2 H VAL 2 9.201 -9.673 -9.204 167 HA VAL 2 HA VAL 2 10.783 -7.268 -9.103 168 HB VAL 2 HB VAL 2 10.264 -7.116 -11.532 169 HG11 VAL 2 HG11 VAL 2 11.243 -9.839 -10.573 170 HG12 VAL 2 HG12 VAL 2 11.557 -9.087 -12.146 171 HG13 VAL 2 HG13 VAL 2 12.210 -8.350 -10.678 172 HG21 VAL 2 HG21 VAL 2 8.010 -8.217 -11.538 173 HG22 VAL 2 HG22 VAL 2 9.147 -8.953 -12.683 174 HG23 VAL 2 HG23 VAL 2 8.781 -9.763 -11.154 175 H LYS 3 H LYS 3 10.316 -5.177 -9.265 176 HA LYS 3 HA LYS 3 7.472 -4.286 -9.073 177 HB2 LYS 3 HB2 LYS 3 9.970 -2.865 -8.110 178 HB3 LYS 3 HB3 LYS 3 8.289 -2.400 -7.799 179 HG2 LYS 3 HG2 LYS 3 7.941 -4.424 -6.450 180 HG3 LYS 3 HG3 LYS 3 9.586 -4.977 -6.816 181 HD2 LYS 3 HD2 LYS 3 10.462 -2.852 -5.745 182 HD3 LYS 3 HD3 LYS 3 8.804 -2.571 -5.148 183 HE2 LYS 3 HE2 LYS 3 8.835 -4.827 -4.078 184 HE3 LYS 3 HE3 LYS 3 10.447 -5.113 -4.743 185 HZ1 LYS 3 HZ1 LYS 3 11.266 -3.255 -3.381 186 HZ2 LYS 3 HZ2 LYS 3 10.568 -4.383 -2.427 187 HZ3 LYS 3 HZ3 LYS 3 9.774 -2.999 -2.756 188 H GLN 4 H GLN 4 6.660 -2.785 -10.446 189 HA GLN 4 HA GLN 4 8.480 -1.399 -12.382 190 HB2 GLN 4 HB2 GLN 4 5.825 -2.684 -13.134 191 HB3 GLN 4 HB3 GLN 4 6.881 -1.759 -14.180 192 HG2 GLN 4 HG2 GLN 4 7.203 -3.962 -14.817 193 HG3 GLN 4 HG3 GLN 4 8.647 -3.551 -13.887 194 HE21 GLN 4 HE21 GLN 4 5.309 -4.749 -13.041 195 HE22 GLN 4 HE22 GLN 4 5.926 -6.093 -12.079 196 H HIS 5 H HIS 5 7.647 0.478 -13.346 197 HA HIS 5 HA HIS 5 5.566 1.955 -11.854 198 HB2 HIS 5 HB2 HIS 5 6.263 3.793 -13.491 199 HB3 HIS 5 HB3 HIS 5 7.380 3.350 -12.205 200 HD1 HIS 5 HD1 HIS 5 9.811 2.961 -12.930 201 HD2 HIS 5 HD2 HIS 5 6.995 2.451 -16.023 202 HE1 HIS 5 HE1 HIS 5 11.148 2.517 -15.051 203 H LEU 6 H LEU 6 3.499 2.066 -12.569 204 HA LEU 6 HA LEU 6 2.867 1.451 -15.418 205 HB2 LEU 6 HB2 LEU 6 1.577 -0.091 -13.140 206 HB3 LEU 6 HB3 LEU 6 1.439 -0.351 -14.854 207 HG LEU 6 HG LEU 6 4.037 -0.787 -13.432 208 HD11 LEU 6 HD11 LEU 6 1.807 -2.742 -13.882 209 HD12 LEU 6 HD12 LEU 6 2.383 -2.107 -12.324 210 HD13 LEU 6 HD13 LEU 6 3.440 -3.137 -13.304 211 HD21 LEU 6 HD21 LEU 6 4.625 -2.250 -15.240 212 HD22 LEU 6 HD22 LEU 6 4.072 -0.757 -16.008 213 HD23 LEU 6 HD23 LEU 6 3.008 -2.187 -15.928 214 H CYS 7 H CYS 7 1.195 2.484 -16.148 215 HA CYS 7 HA CYS 7 -0.763 3.830 -14.329 216 HB2 CYS 7 HB2 CYS 7 0.399 4.793 -16.960 217 HB3 CYS 7 HB3 CYS 7 -0.695 5.687 -15.915 218 H GLY 8 H GLY 8 -2.900 3.362 -14.833 219 HA2 GLY 8 HA2 GLY 8 -4.761 2.547 -15.921 220 HA3 GLY 8 HA3 GLY 8 -4.031 3.199 -17.386 221 H SER 9 H SER 9 -3.681 1.756 -18.992 222 HA SER 9 HA SER 9 -4.284 -0.981 -18.894 223 HB2 SER 9 HB2 SER 9 -2.361 0.482 -20.768 224 HB3 SER 9 HB3 SER 9 -3.185 -1.060 -21.113 225 HG SER 9 HG SER 9 -4.271 0.752 -22.052 226 H HIS 10 H HIS 10 -1.031 0.519 -18.468 227 HA HIS 10 HA HIS 10 0.431 -2.009 -18.403 228 HB2 HIS 10 HB2 HIS 10 0.995 0.698 -17.121 229 HB3 HIS 10 HB3 HIS 10 2.145 -0.612 -17.184 230 HD1 HIS 10 HD1 HIS 10 2.991 -1.207 -19.865 231 HD2 HIS 10 HD2 HIS 10 0.804 2.282 -19.069 232 HE1 HIS 10 HE1 HIS 10 3.322 0.298 -21.896 233 H LEU 11 H LEU 11 -1.302 -0.068 -16.032 234 HA LEU 11 HA LEU 11 -0.258 -1.352 -13.669 235 HB2 LEU 11 HB2 LEU 11 -1.451 1.003 -14.158 236 HB3 LEU 11 HB3 LEU 11 -2.922 0.093 -13.836 237 HG LEU 11 HG LEU 11 -0.582 0.635 -11.984 238 HD11 LEU 11 HD11 LEU 11 -2.549 1.559 -10.621 239 HD12 LEU 11 HD12 LEU 11 -3.517 1.412 -12.090 240 HD13 LEU 11 HD13 LEU 11 -2.089 2.470 -12.089 241 HD21 LEU 11 HD21 LEU 11 -2.911 -1.251 -11.591 242 HD22 LEU 11 HD22 LEU 11 -1.958 -0.574 -10.241 243 HD23 LEU 11 HD23 LEU 11 -1.159 -1.561 -11.452 244 H VAL 12 H VAL 12 -3.240 -1.614 -15.597 245 HA VAL 12 HA VAL 12 -4.385 -3.946 -14.332 246 HB VAL 12 HB VAL 12 -4.635 -2.854 -17.160 247 HG11 VAL 12 HG11 VAL 12 -6.666 -4.336 -17.338 248 HG12 VAL 12 HG12 VAL 12 -5.134 -5.211 -17.378 249 HG13 VAL 12 HG13 VAL 12 -6.098 -5.200 -15.885 250 HG21 VAL 12 HG21 VAL 12 -5.616 -1.478 -15.346 251 HG22 VAL 12 HG22 VAL 12 -6.871 -2.175 -16.370 252 HG23 VAL 12 HG23 VAL 12 -6.529 -2.892 -14.777 253 H GLU 13 H GLU 13 -1.711 -3.611 -16.770 254 HA GLU 13 HA GLU 13 -1.729 -6.407 -17.447 255 HB2 GLU 13 HB2 GLU 13 -0.625 -4.466 -18.723 256 HB3 GLU 13 HB3 GLU 13 0.713 -4.626 -17.573 257 HG2 GLU 13 HG2 GLU 13 1.065 -6.955 -18.264 258 HG3 GLU 13 HG3 GLU 13 -0.341 -6.875 -19.331 259 H ALA 14 H ALA 14 -0.557 -4.685 -14.614 260 HA ALA 14 HA ALA 14 0.839 -7.134 -13.606 261 HB1 ALA 14 HB1 ALA 14 1.187 -5.765 -11.611 262 HB2 ALA 14 HB2 ALA 14 1.848 -4.997 -13.082 263 HB3 ALA 14 HB3 ALA 14 0.328 -4.395 -12.394 264 H LEU 15 H LEU 15 -2.013 -5.086 -12.745 265 HA LEU 15 HA LEU 15 -3.163 -6.511 -10.747 266 HB2 LEU 15 HB2 LEU 15 -3.765 -4.352 -12.241 267 HB3 LEU 15 HB3 LEU 15 -4.874 -5.490 -13.022 268 HG LEU 15 HG LEU 15 -4.757 -4.668 -10.138 269 HD11 LEU 15 HD11 LEU 15 -6.727 -4.150 -12.393 270 HD12 LEU 15 HD12 LEU 15 -5.682 -2.966 -11.608 271 HD13 LEU 15 HD13 LEU 15 -7.015 -3.700 -10.695 272 HD21 LEU 15 HD21 LEU 15 -6.888 -5.990 -9.965 273 HD22 LEU 15 HD22 LEU 15 -5.382 -6.880 -10.039 274 HD23 LEU 15 HD23 LEU 15 -6.407 -6.755 -11.495 275 H TYR 16 H TYR 16 -3.693 -7.092 -14.179 276 HA TYR 16 HA TYR 16 -5.556 -9.279 -14.064 277 HB2 TYR 16 HB2 TYR 16 -4.974 -7.584 -15.904 278 HB3 TYR 16 HB3 TYR 16 -3.546 -8.533 -16.259 279 HD1 TYR 16 HD1 TYR 16 -6.507 -7.648 -17.523 280 HD2 TYR 16 HD2 TYR 16 -4.374 -11.286 -16.556 281 HE1 TYR 16 HE1 TYR 16 -7.914 -8.920 -19.138 282 HE2 TYR 16 HE2 TYR 16 -5.769 -12.542 -18.162 283 HH TYR 16 HH TYR 16 -8.368 -10.959 -20.079 284 H LEU 17 H LEU 17 -2.051 -9.195 -13.836 285 HA LEU 17 HA LEU 17 -1.672 -12.068 -14.334 286 HB2 LEU 17 HB2 LEU 17 -0.066 -10.296 -15.090 287 HB3 LEU 17 HB3 LEU 17 0.165 -9.778 -13.458 288 HG LEU 17 HG LEU 17 1.135 -11.818 -12.722 289 HD11 LEU 17 HD11 LEU 17 0.131 -13.483 -14.247 290 HD12 LEU 17 HD12 LEU 17 1.888 -13.543 -14.396 291 HD13 LEU 17 HD13 LEU 17 0.921 -12.717 -15.648 292 HD21 LEU 17 HD21 LEU 17 3.280 -11.613 -13.955 293 HD22 LEU 17 HD22 LEU 17 2.573 -10.027 -13.594 294 HD23 LEU 17 HD23 LEU 17 2.461 -10.697 -15.235 295 H VAL 18 H VAL 18 -1.520 -9.665 -11.789 296 HA VAL 18 HA VAL 18 -0.678 -11.250 -9.580 297 HB VAL 18 HB VAL 18 -2.313 -8.660 -9.696 298 HG11 VAL 18 HG11 VAL 18 -2.586 -9.505 -7.550 299 HG12 VAL 18 HG12 VAL 18 -0.955 -10.190 -7.463 300 HG13 VAL 18 HG13 VAL 18 -1.192 -8.451 -7.350 301 HG21 VAL 18 HG21 VAL 18 0.385 -9.090 -10.530 302 HG22 VAL 18 HG22 VAL 18 -0.428 -7.559 -10.201 303 HG23 VAL 18 HG23 VAL 18 0.482 -8.329 -8.953 304 H CYS 19 H CYS 19 -3.851 -10.312 -10.809 305 HA CYS 19 HA CYS 19 -5.369 -11.852 -8.798 306 HB2 CYS 19 HB2 CYS 19 -6.137 -10.632 -11.463 307 HB3 CYS 19 HB3 CYS 19 -7.278 -11.397 -10.349 308 H GLY 20 H GLY 20 -4.087 -12.364 -12.058 309 HA2 GLY 20 HA2 GLY 20 -4.146 -14.135 -13.501 310 HA3 GLY 20 HA3 GLY 20 -4.047 -15.181 -12.065 311 H GLU 21 H GLU 21 -6.432 -13.106 -13.719 312 HA GLU 21 HA GLU 21 -8.629 -13.135 -14.021 313 HB2 GLU 21 HB2 GLU 21 -7.990 -16.009 -14.596 314 HB3 GLU 21 HB3 GLU 21 -9.546 -15.260 -14.979 315 HG2 GLU 21 HG2 GLU 21 -8.398 -13.570 -16.381 316 HG3 GLU 21 HG3 GLU 21 -6.847 -14.340 -16.038 317 H ARG 22 H ARG 22 -7.785 -13.857 -11.094 318 HA ARG 22 HA ARG 22 -10.217 -14.909 -9.917 319 HB2 ARG 22 HB2 ARG 22 -8.012 -13.085 -8.867 320 HB3 ARG 22 HB3 ARG 22 -9.429 -13.454 -7.905 321 HG2 ARG 22 HG2 ARG 22 -8.993 -15.857 -8.037 322 HG3 ARG 22 HG3 ARG 22 -7.538 -15.583 -8.999 323 HD2 ARG 22 HD2 ARG 22 -8.015 -14.460 -6.200 324 HD3 ARG 22 HD3 ARG 22 -7.181 -15.989 -6.521 325 HE ARG 22 HE ARG 22 -5.760 -14.202 -8.050 326 HH11 ARG 22 HH11 ARG 22 -6.545 -14.245 -4.614 327 HH12 ARG 22 HH12 ARG 22 -5.012 -13.517 -4.184 328 HH21 ARG 22 HH21 ARG 22 -3.807 -13.178 -7.330 329 HH22 ARG 22 HH22 ARG 22 -3.575 -12.966 -5.618 330 H GLY 23 H GLY 23 -9.700 -11.982 -11.554 331 HA2 GLY 23 HA2 GLY 23 -11.294 -10.418 -12.225 332 HA3 GLY 23 HA3 GLY 23 -12.421 -10.978 -11.004 333 H PHE 24 H PHE 24 -11.852 -8.316 -11.585 334 HA PHE 24 HA PHE 24 -11.036 -6.949 -9.148 335 HB2 PHE 24 HB2 PHE 24 -9.046 -5.922 -10.131 336 HB3 PHE 24 HB3 PHE 24 -8.833 -7.646 -9.973 337 HD1 PHE 24 HD1 PHE 24 -8.812 -9.143 -11.949 338 HD2 PHE 24 HD2 PHE 24 -8.945 -4.854 -12.334 339 HE1 PHE 24 HE1 PHE 24 -8.132 -9.348 -14.310 340 HE2 PHE 24 HE2 PHE 24 -8.082 -5.045 -14.670 341 HZ PHE 24 HZ PHE 24 -7.751 -7.284 -15.673 342 H PHE 25 H PHE 25 -10.743 -4.561 -9.607 343 HA PHE 25 HA PHE 25 -11.555 -3.539 -12.192 344 HB2 PHE 25 HB2 PHE 25 -13.738 -3.565 -11.079 345 HB3 PHE 25 HB3 PHE 25 -13.068 -2.698 -9.696 346 HD1 PHE 25 HD1 PHE 25 -13.237 -0.353 -9.661 347 HD2 PHE 25 HD2 PHE 25 -13.332 -2.402 -13.449 348 HE1 PHE 25 HE1 PHE 25 -13.579 1.819 -10.820 349 HE2 PHE 25 HE2 PHE 25 -13.644 -0.227 -14.616 350 HZ PHE 25 HZ PHE 25 -13.765 1.886 -13.307 351 H TYR 26 H TYR 26 -10.477 -1.643 -12.634 352 HA TYR 26 HA TYR 26 -8.171 -1.136 -10.925 353 HB2 TYR 26 HB2 TYR 26 -7.447 0.173 -13.024 354 HB3 TYR 26 HB3 TYR 26 -7.535 -1.572 -13.046 355 HD1 TYR 26 HD1 TYR 26 -9.222 1.519 -14.259 356 HD2 TYR 26 HD2 TYR 26 -9.086 -2.796 -14.415 357 HE1 TYR 26 HE1 TYR 26 -10.772 1.538 -16.212 358 HE2 TYR 26 HE2 TYR 26 -10.647 -2.766 -16.364 359 HH TYR 26 HH TYR 26 -11.924 0.279 -17.746 360 H THR 27 H THR 27 -10.044 -0.196 -9.430 361 HA THR 27 HA THR 27 -11.185 2.285 -9.652 362 HB THR 27 HB THR 27 -9.946 1.234 -7.093 363 HG1 THR 27 HG1 THR 27 -11.850 0.086 -6.882 364 HG21 THR 27 HG21 THR 27 -10.971 3.488 -6.884 365 HG22 THR 27 HG22 THR 27 -11.966 2.277 -6.069 366 HG23 THR 27 HG23 THR 27 -12.454 2.897 -7.664 367 HA PRO 28 HA PRO 28 -7.455 4.914 -9.496 368 HB2 PRO 28 HB2 PRO 28 -9.270 7.092 -10.384 369 HB3 PRO 28 HB3 PRO 28 -7.762 6.494 -11.142 370 HG2 PRO 28 HG2 PRO 28 -10.210 5.979 -12.238 371 HG3 PRO 28 HG3 PRO 28 -8.912 4.737 -12.235 372 HD2 PRO 28 HD2 PRO 28 -11.188 5.064 -10.246 373 HD3 PRO 28 HD3 PRO 28 -10.712 3.611 -11.174 374 H LYS 29 H LYS 29 -7.018 7.218 -8.585 375 HA LYS 29 HA LYS 29 -8.106 7.519 -5.886 376 HB2 LYS 29 HB2 LYS 29 -5.774 8.084 -6.496 377 HB3 LYS 29 HB3 LYS 29 -6.355 9.396 -7.536 378 HG2 LYS 29 HG2 LYS 29 -7.287 10.569 -5.591 379 HG3 LYS 29 HG3 LYS 29 -6.940 9.191 -4.545 380 HD2 LYS 29 HD2 LYS 29 -5.329 10.911 -4.127 381 HD3 LYS 29 HD3 LYS 29 -4.502 9.548 -4.882 382 HE2 LYS 29 HE2 LYS 29 -4.456 10.699 -7.040 383 HE3 LYS 29 HE3 LYS 29 -5.466 12.014 -6.398 384 HZ1 LYS 29 HZ1 LYS 29 -3.656 12.611 -4.908 385 HZ2 LYS 29 HZ2 LYS 29 -3.065 12.568 -6.429 386 HZ3 LYS 29 HZ3 LYS 29 -2.747 11.344 -5.377 387 H THR 30 H THR 30 -8.847 8.897 -9.013 388 HA THR 30 HA THR 30 -10.418 10.338 -9.782 389 HB THR 30 HB THR 30 -12.231 9.234 -7.632 390 HG1 THR 30 HG1 THR 30 -12.454 7.457 -8.962 391 HG21 THR 30 HG21 THR 30 -13.256 10.864 -9.249 392 HG22 THR 30 HG22 THR 30 -13.887 9.234 -9.482 393 HG23 THR 30 HG23 THR 30 -12.653 9.872 -10.596 394 H ARG 31 H ARG 31 -8.730 11.811 -8.479 395 HA ARG 31 HA ARG 31 -9.770 13.522 -6.430 396 HB2 ARG 31 HB2 ARG 31 -7.825 14.741 -6.580 397 HB3 ARG 31 HB3 ARG 31 -7.315 13.131 -7.048 398 HG2 ARG 31 HG2 ARG 31 -7.810 15.524 -8.878 399 HG3 ARG 31 HG3 ARG 31 -6.249 14.873 -8.408 400 HD2 ARG 31 HD2 ARG 31 -6.593 12.843 -9.667 401 HD3 ARG 31 HD3 ARG 31 -8.266 13.263 -10.033 402 HE ARG 31 HE ARG 31 -5.876 14.276 -11.350 403 HH11 ARG 31 HH11 ARG 31 -9.297 14.975 -10.788 404 HH12 ARG 31 HH12 ARG 31 -9.407 15.902 -12.264 405 HH21 ARG 31 HH21 ARG 31 -6.117 15.520 -13.175 406 HH22 ARG 31 HH22 ARG 31 -7.667 16.211 -13.557 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -6.065 4.902 -2.967 2 H2 GLY 1 H2 GLY 1 -7.261 5.809 -3.599 3 H3 GLY 1 H3 GLY 1 -5.704 6.327 -3.699 4 HA2 GLY 1 HA2 GLY 1 -6.853 3.979 -5.080 5 HA3 GLY 1 HA3 GLY 1 -6.362 5.501 -5.842 6 H ILE 2 H ILE 2 -5.418 2.557 -6.019 7 HA ILE 2 HA ILE 2 -2.713 2.523 -4.907 8 HB ILE 2 HB ILE 2 -3.920 0.481 -4.904 9 HG12 ILE 2 HG12 ILE 2 -2.010 0.238 -7.244 10 HG13 ILE 2 HG13 ILE 2 -1.463 0.415 -5.570 11 HG21 ILE 2 HG21 ILE 2 -4.771 -0.572 -6.942 12 HG22 ILE 2 HG22 ILE 2 -5.591 0.933 -6.656 13 HG23 ILE 2 HG23 ILE 2 -4.324 0.879 -7.903 14 HD11 ILE 2 HD11 ILE 2 -2.609 -1.740 -5.019 15 HD12 ILE 2 HD12 ILE 2 -3.012 -1.946 -6.735 16 HD13 ILE 2 HD13 ILE 2 -1.311 -1.883 -6.231 17 H VAL 3 H VAL 3 -4.052 2.905 -8.199 18 HA VAL 3 HA VAL 3 -2.014 3.347 -9.869 19 HB VAL 3 HB VAL 3 -4.181 5.435 -9.391 20 HG11 VAL 3 HG11 VAL 3 -2.851 4.487 -11.963 21 HG12 VAL 3 HG12 VAL 3 -4.144 5.695 -11.840 22 HG13 VAL 3 HG13 VAL 3 -2.565 6.038 -11.155 23 HG21 VAL 3 HG21 VAL 3 -5.396 3.332 -9.400 24 HG22 VAL 3 HG22 VAL 3 -5.644 4.152 -10.926 25 HG23 VAL 3 HG23 VAL 3 -4.516 2.794 -10.845 26 H GLU 4 H GLU 4 -2.824 5.630 -7.238 27 HA GLU 4 HA GLU 4 -1.014 7.630 -8.134 28 HB2 GLU 4 HB2 GLU 4 -2.860 8.008 -6.516 29 HB3 GLU 4 HB3 GLU 4 -1.998 7.057 -5.300 30 HG2 GLU 4 HG2 GLU 4 -0.169 8.698 -5.274 31 HG3 GLU 4 HG3 GLU 4 -0.936 9.612 -6.580 32 H GLN 5 H GLN 5 -0.542 4.763 -6.171 33 HA GLN 5 HA GLN 5 2.259 5.275 -5.477 34 HB2 GLN 5 HB2 GLN 5 0.252 3.787 -4.348 35 HB3 GLN 5 HB3 GLN 5 1.041 2.533 -5.261 36 HG2 GLN 5 HG2 GLN 5 2.328 4.353 -3.173 37 HG3 GLN 5 HG3 GLN 5 1.876 2.661 -2.960 38 HE21 GLN 5 HE21 GLN 5 2.996 1.063 -4.528 39 HE22 GLN 5 HE22 GLN 5 4.657 1.422 -4.987 40 H CYS 6 H CYS 6 0.478 3.062 -7.659 41 HA CYS 6 HA CYS 6 2.871 1.796 -8.628 42 HB2 CYS 6 HB2 CYS 6 0.080 1.586 -9.706 43 HB3 CYS 6 HB3 CYS 6 1.445 0.555 -10.124 44 H CYS 7 H CYS 7 1.004 4.498 -9.972 45 HA CYS 7 HA CYS 7 2.367 4.246 -12.565 46 HB2 CYS 7 HB2 CYS 7 0.034 4.929 -12.439 47 HB3 CYS 7 HB3 CYS 7 0.397 6.242 -11.360 48 H THR 8 H THR 8 2.663 6.299 -9.613 49 HA THR 8 HA THR 8 4.788 7.950 -10.838 50 HB THR 8 HB THR 8 4.812 9.252 -8.866 51 HG1 THR 8 HG1 THR 8 2.844 7.745 -7.578 52 HG21 THR 8 HG21 THR 8 2.544 10.063 -8.734 53 HG22 THR 8 HG22 THR 8 1.912 8.548 -9.419 54 HG23 THR 8 HG23 THR 8 2.924 9.618 -10.413 55 H SER 9 H SER 9 4.541 5.313 -8.469 56 HA SER 9 HA SER 9 7.494 5.068 -8.558 57 HB2 SER 9 HB2 SER 9 6.894 6.091 -6.431 58 HB3 SER 9 HB3 SER 9 5.811 4.734 -6.064 59 HG SER 9 HG SER 9 7.939 4.623 -5.098 60 H ILE 10 H ILE 10 7.342 2.680 -6.918 61 HA ILE 10 HA ILE 10 6.613 0.867 -9.140 62 HB ILE 10 HB ILE 10 8.439 -0.574 -8.228 63 HG12 ILE 10 HG12 ILE 10 8.914 1.891 -6.458 64 HG13 ILE 10 HG13 ILE 10 8.560 0.259 -5.929 65 HG21 ILE 10 HG21 ILE 10 9.260 2.229 -9.086 66 HG22 ILE 10 HG22 ILE 10 10.150 0.713 -9.350 67 HG23 ILE 10 HG23 ILE 10 8.616 0.986 -10.177 68 HD11 ILE 10 HD11 ILE 10 10.796 -0.423 -6.918 69 HD12 ILE 10 HD12 ILE 10 11.077 1.325 -7.233 70 HD13 ILE 10 HD13 ILE 10 10.876 0.758 -5.578 71 H CYS 11 H CYS 11 5.672 -1.031 -8.956 72 HA CYS 11 HA CYS 11 4.578 -1.980 -6.353 73 HB2 CYS 11 HB2 CYS 11 3.081 -1.370 -8.931 74 HB3 CYS 11 HB3 CYS 11 2.432 -2.431 -7.681 75 H SER 12 H SER 12 3.519 -4.129 -6.598 76 HA SER 12 HA SER 12 4.395 -5.997 -8.673 77 HB2 SER 12 HB2 SER 12 5.605 -7.456 -7.174 78 HB3 SER 12 HB3 SER 12 6.406 -5.882 -7.185 79 HG SER 12 HG SER 12 5.593 -5.456 -5.171 80 H LEU 13 H LEU 13 3.743 -8.374 -7.575 81 HA LEU 13 HA LEU 13 0.965 -8.418 -7.286 82 HB2 LEU 13 HB2 LEU 13 2.382 -10.513 -5.747 83 HB3 LEU 13 HB3 LEU 13 1.206 -10.689 -7.025 84 HG LEU 13 HG LEU 13 4.208 -10.283 -7.356 85 HD11 LEU 13 HD11 LEU 13 2.427 -12.742 -7.650 86 HD12 LEU 13 HD12 LEU 13 3.633 -12.443 -6.379 87 HD13 LEU 13 HD13 LEU 13 4.148 -12.674 -8.055 88 HD21 LEU 13 HD21 LEU 13 3.943 -10.918 -9.692 89 HD22 LEU 13 HD22 LEU 13 2.973 -9.476 -9.387 90 HD23 LEU 13 HD23 LEU 13 2.191 -11.078 -9.498 91 H TYR 14 H TYR 14 3.444 -7.924 -4.883 92 HA TYR 14 HA TYR 14 1.954 -8.278 -2.497 93 HB2 TYR 14 HB2 TYR 14 4.585 -7.707 -3.250 94 HB3 TYR 14 HB3 TYR 14 4.093 -6.229 -2.470 95 HD1 TYR 14 HD1 TYR 14 3.658 -6.234 -0.017 96 HD2 TYR 14 HD2 TYR 14 4.590 -9.867 -2.146 97 HE1 TYR 14 HE1 TYR 14 4.040 -7.402 2.153 98 HE2 TYR 14 HE2 TYR 14 4.980 -11.041 0.035 99 HH TYR 14 HH TYR 14 4.611 -9.364 3.183 100 H GLN 15 H GLN 15 1.759 -5.687 -4.831 101 HA GLN 15 HA GLN 15 0.126 -4.058 -2.904 102 HB2 GLN 15 HB2 GLN 15 1.411 -3.092 -5.471 103 HB3 GLN 15 HB3 GLN 15 0.449 -2.179 -4.293 104 HG2 GLN 15 HG2 GLN 15 2.358 -3.243 -2.633 105 HG3 GLN 15 HG3 GLN 15 3.289 -3.154 -4.121 106 HE21 GLN 15 HE21 GLN 15 4.313 -1.704 -2.140 107 HE22 GLN 15 HE22 GLN 15 3.882 -0.006 -2.291 108 H LEU 16 H LEU 16 0.253 -5.278 -6.267 109 HA LEU 16 HA LEU 16 -2.330 -4.378 -7.110 110 HB2 LEU 16 HB2 LEU 16 -0.382 -6.487 -8.015 111 HB3 LEU 16 HB3 LEU 16 -1.966 -6.264 -8.803 112 HG LEU 16 HG LEU 16 -0.041 -5.289 -9.956 113 HD11 LEU 16 HD11 LEU 16 -1.933 -3.087 -9.241 114 HD12 LEU 16 HD12 LEU 16 -2.604 -4.546 -9.961 115 HD13 LEU 16 HD13 LEU 16 -1.385 -3.645 -10.845 116 HD21 LEU 16 HD21 LEU 16 1.214 -4.221 -8.194 117 HD22 LEU 16 HD22 LEU 16 -0.182 -3.195 -7.770 118 HD23 LEU 16 HD23 LEU 16 0.647 -2.992 -9.331 119 H GLU 17 H GLU 17 -1.495 -7.408 -5.323 120 HA GLU 17 HA GLU 17 -3.985 -8.641 -6.106 121 HB2 GLU 17 HB2 GLU 17 -1.741 -9.702 -5.227 122 HB3 GLU 17 HB3 GLU 17 -2.542 -9.561 -3.647 123 HG2 GLU 17 HG2 GLU 17 -4.519 -10.794 -4.690 124 HG3 GLU 17 HG3 GLU 17 -3.573 -10.957 -6.169 125 H ASN 18 H ASN 18 -3.503 -6.077 -4.159 126 HA ASN 18 HA ASN 18 -5.787 -6.425 -2.325 127 HB2 ASN 18 HB2 ASN 18 -4.175 -3.981 -3.192 128 HB3 ASN 18 HB3 ASN 18 -5.515 -3.911 -2.076 129 HD21 ASN 18 HD21 ASN 18 -2.172 -4.673 -2.419 130 HD22 ASN 18 HD22 ASN 18 -1.894 -5.164 -0.745 131 H TYR 19 H TYR 19 -5.438 -5.684 -5.769 132 HA TYR 19 HA TYR 19 -7.978 -4.133 -5.868 133 HB2 TYR 19 HB2 TYR 19 -6.051 -5.311 -7.871 134 HB3 TYR 19 HB3 TYR 19 -7.623 -4.723 -8.355 135 HD1 TYR 19 HD1 TYR 19 -8.234 -2.273 -7.628 136 HD2 TYR 19 HD2 TYR 19 -4.312 -3.920 -8.125 137 HE1 TYR 19 HE1 TYR 19 -7.527 -0.198 -8.866 138 HE2 TYR 19 HE2 TYR 19 -3.689 -2.066 -9.605 139 HH TYR 19 HH TYR 19 -6.004 0.622 -10.367 140 H CYS 20 H CYS 20 -6.876 -7.478 -6.352 141 HA CYS 20 HA CYS 20 -8.932 -8.312 -7.943 142 HB2 CYS 20 HB2 CYS 20 -7.590 -10.120 -5.951 143 HB3 CYS 20 HB3 CYS 20 -8.320 -10.530 -7.539 144 H ASN 21 H ASN 21 -10.802 -9.504 -7.704 145 HA ASN 21 HA ASN 21 -12.315 -8.907 -5.317 146 HB2 ASN 21 HB2 ASN 21 -13.005 -8.338 -7.667 147 HB3 ASN 21 HB3 ASN 21 -13.025 -10.060 -8.068 148 HD21 ASN 21 HD21 ASN 21 -15.172 -9.453 -8.804 149 HD22 ASN 21 HD22 ASN 21 -16.463 -9.510 -7.616 150 H SER 22 H SER 22 -10.527 -10.649 -4.524 151 HA SER 22 HA SER 22 -10.727 -13.401 -5.020 152 HB2 SER 22 HB2 SER 22 -9.773 -12.001 -2.494 153 HB3 SER 22 HB3 SER 22 -9.360 -13.655 -2.997 154 HG SER 22 HG SER 22 -7.916 -11.688 -3.564 155 H1 PHE 1 H1 PHE 1 8.098 -13.051 -11.614 156 H2 PHE 1 H2 PHE 1 9.003 -12.449 -10.384 157 H3 PHE 1 H3 PHE 1 9.572 -12.392 -11.913 158 HA PHE 1 HA PHE 1 7.864 -10.878 -12.594 159 HB2 PHE 1 HB2 PHE 1 6.300 -9.920 -11.019 160 HB3 PHE 1 HB3 PHE 1 6.116 -11.656 -11.041 161 HD1 PHE 1 HD1 PHE 1 7.209 -8.735 -9.030 162 HD2 PHE 1 HD2 PHE 1 6.669 -13.025 -9.064 163 HE1 PHE 1 HE1 PHE 1 7.413 -8.791 -6.555 164 HE2 PHE 1 HE2 PHE 1 6.867 -13.059 -6.592 165 HZ PHE 1 HZ PHE 1 7.214 -10.941 -5.337 166 H VAL 2 H VAL 2 7.817 -8.473 -11.940 167 HA VAL 2 HA VAL 2 10.429 -7.650 -10.738 168 HB VAL 2 HB VAL 2 10.555 -5.893 -12.523 169 HG11 VAL 2 HG11 VAL 2 10.746 -8.764 -13.512 170 HG12 VAL 2 HG12 VAL 2 11.579 -7.350 -14.180 171 HG13 VAL 2 HG13 VAL 2 11.973 -7.903 -12.547 172 HG21 VAL 2 HG21 VAL 2 9.440 -6.217 -14.659 173 HG22 VAL 2 HG22 VAL 2 8.557 -7.625 -14.049 174 HG23 VAL 2 HG23 VAL 2 8.216 -6.002 -13.400 175 H LYS 3 H LYS 3 10.466 -5.786 -9.566 176 HA LYS 3 HA LYS 3 7.941 -4.416 -8.904 177 HB2 LYS 3 HB2 LYS 3 10.813 -3.748 -8.141 178 HB3 LYS 3 HB3 LYS 3 9.354 -2.969 -7.509 179 HG2 LYS 3 HG2 LYS 3 8.587 -5.110 -6.541 180 HG3 LYS 3 HG3 LYS 3 10.011 -5.937 -7.197 181 HD2 LYS 3 HD2 LYS 3 11.471 -4.390 -5.846 182 HD3 LYS 3 HD3 LYS 3 9.994 -3.753 -5.078 183 HE2 LYS 3 HE2 LYS 3 9.401 -6.067 -4.361 184 HE3 LYS 3 HE3 LYS 3 10.862 -6.679 -5.149 185 HZ1 LYS 3 HZ1 LYS 3 10.843 -4.767 -2.868 186 HZ2 LYS 3 HZ2 LYS 3 12.188 -5.350 -3.588 187 HZ3 LYS 3 HZ3 LYS 3 11.203 -6.357 -2.761 188 H GLN 4 H GLN 4 7.092 -2.882 -10.154 189 HA GLN 4 HA GLN 4 8.819 -1.259 -11.969 190 HB2 GLN 4 HB2 GLN 4 8.177 -3.619 -12.859 191 HB3 GLN 4 HB3 GLN 4 6.557 -2.958 -13.063 192 HG2 GLN 4 HG2 GLN 4 7.355 -1.429 -14.760 193 HG3 GLN 4 HG3 GLN 4 9.041 -1.664 -14.268 194 HE21 GLN 4 HE21 GLN 4 6.286 -3.858 -15.237 195 HE22 GLN 4 HE22 GLN 4 7.315 -4.836 -16.280 196 H HIS 5 H HIS 5 7.471 0.199 -13.375 197 HA HIS 5 HA HIS 5 5.429 1.565 -11.691 198 HB2 HIS 5 HB2 HIS 5 6.365 3.588 -13.007 199 HB3 HIS 5 HB3 HIS 5 7.164 2.970 -11.571 200 HD1 HIS 5 HD1 HIS 5 9.668 3.418 -11.964 201 HD2 HIS 5 HD2 HIS 5 7.713 1.662 -15.252 202 HE1 HIS 5 HE1 HIS 5 11.486 2.841 -13.653 203 H LEU 6 H LEU 6 3.486 1.622 -12.458 204 HA LEU 6 HA LEU 6 2.961 1.486 -15.395 205 HB2 LEU 6 HB2 LEU 6 1.514 -0.143 -13.289 206 HB3 LEU 6 HB3 LEU 6 1.433 -0.269 -15.009 207 HG LEU 6 HG LEU 6 2.527 -2.084 -14.530 208 HD11 LEU 6 HD11 LEU 6 5.164 -0.798 -14.687 209 HD12 LEU 6 HD12 LEU 6 4.043 -0.591 -16.056 210 HD13 LEU 6 HD13 LEU 6 4.501 -2.210 -15.506 211 HD21 LEU 6 HD21 LEU 6 4.256 -2.439 -12.840 212 HD22 LEU 6 HD22 LEU 6 2.694 -1.925 -12.210 213 HD23 LEU 6 HD23 LEU 6 4.016 -0.762 -12.297 214 H CYS 7 H CYS 7 1.238 2.503 -16.137 215 HA CYS 7 HA CYS 7 -0.662 3.878 -14.287 216 HB2 CYS 7 HB2 CYS 7 0.443 4.834 -16.941 217 HB3 CYS 7 HB3 CYS 7 -0.606 5.740 -15.850 218 H GLY 8 H GLY 8 -2.769 3.286 -14.661 219 HA2 GLY 8 HA2 GLY 8 -4.701 2.609 -15.740 220 HA3 GLY 8 HA3 GLY 8 -3.986 3.269 -17.213 221 H SER 9 H SER 9 -3.723 1.849 -18.837 222 HA SER 9 HA SER 9 -4.411 -0.877 -18.738 223 HB2 SER 9 HB2 SER 9 -2.566 0.533 -20.720 224 HB3 SER 9 HB3 SER 9 -3.446 -0.984 -21.010 225 HG SER 9 HG SER 9 -4.548 0.844 -21.879 226 H HIS 10 H HIS 10 -1.100 0.530 -18.428 227 HA HIS 10 HA HIS 10 0.253 -2.056 -18.418 228 HB2 HIS 10 HB2 HIS 10 1.045 0.608 -17.182 229 HB3 HIS 10 HB3 HIS 10 2.110 -0.786 -17.316 230 HD1 HIS 10 HD1 HIS 10 2.821 -1.384 -20.006 231 HD2 HIS 10 HD2 HIS 10 0.736 2.171 -19.191 232 HE1 HIS 10 HE1 HIS 10 3.066 0.073 -22.094 233 H LEU 11 H LEU 11 -1.421 -0.115 -15.995 234 HA LEU 11 HA LEU 11 -0.293 -1.501 -13.702 235 HB2 LEU 11 HB2 LEU 11 -1.408 0.951 -14.036 236 HB3 LEU 11 HB3 LEU 11 -2.858 0.064 -13.588 237 HG LEU 11 HG LEU 11 -0.331 0.581 -11.970 238 HD11 LEU 11 HD11 LEU 11 -2.026 2.286 -11.858 239 HD12 LEU 11 HD12 LEU 11 -2.121 1.340 -10.341 240 HD13 LEU 11 HD13 LEU 11 -3.305 1.077 -11.611 241 HD21 LEU 11 HD21 LEU 11 -2.476 -1.442 -11.358 242 HD22 LEU 11 HD22 LEU 11 -1.369 -0.768 -10.138 243 HD23 LEU 11 HD23 LEU 11 -0.714 -1.695 -11.486 244 H VAL 12 H VAL 12 -3.364 -1.581 -15.533 245 HA VAL 12 HA VAL 12 -4.477 -3.911 -14.274 246 HB VAL 12 HB VAL 12 -4.819 -2.841 -17.097 247 HG11 VAL 12 HG11 VAL 12 -6.275 -5.110 -15.697 248 HG12 VAL 12 HG12 VAL 12 -6.907 -4.274 -17.133 249 HG13 VAL 12 HG13 VAL 12 -5.396 -5.182 -17.240 250 HG21 VAL 12 HG21 VAL 12 -6.596 -2.758 -14.618 251 HG22 VAL 12 HG22 VAL 12 -5.679 -1.390 -15.286 252 HG23 VAL 12 HG23 VAL 12 -7.007 -2.094 -16.217 253 H GLU 13 H GLU 13 -1.898 -3.599 -16.796 254 HA GLU 13 HA GLU 13 -1.926 -6.382 -17.487 255 HB2 GLU 13 HB2 GLU 13 -0.790 -4.391 -18.713 256 HB3 GLU 13 HB3 GLU 13 0.539 -4.644 -17.572 257 HG2 GLU 13 HG2 GLU 13 1.121 -5.758 -19.553 258 HG3 GLU 13 HG3 GLU 13 0.714 -7.018 -18.405 259 H ALA 14 H ALA 14 -0.652 -4.705 -14.664 260 HA ALA 14 HA ALA 14 0.783 -7.125 -13.698 261 HB1 ALA 14 HB1 ALA 14 1.749 -4.906 -13.239 262 HB2 ALA 14 HB2 ALA 14 0.257 -4.398 -12.454 263 HB3 ALA 14 HB3 ALA 14 1.213 -5.738 -11.744 264 H LEU 15 H LEU 15 -2.073 -5.131 -12.797 265 HA LEU 15 HA LEU 15 -3.172 -6.555 -10.758 266 HB2 LEU 15 HB2 LEU 15 -3.807 -4.384 -12.228 267 HB3 LEU 15 HB3 LEU 15 -4.918 -5.521 -13.003 268 HG LEU 15 HG LEU 15 -4.779 -4.737 -10.108 269 HD11 LEU 15 HD11 LEU 15 -5.732 -3.016 -11.555 270 HD12 LEU 15 HD12 LEU 15 -7.042 -3.772 -10.643 271 HD13 LEU 15 HD13 LEU 15 -6.762 -4.209 -12.353 272 HD21 LEU 15 HD21 LEU 15 -6.898 -6.062 -9.945 273 HD22 LEU 15 HD22 LEU 15 -5.398 -6.946 -10.039 274 HD23 LEU 15 HD23 LEU 15 -6.441 -6.806 -11.492 275 H TYR 16 H TYR 16 -3.816 -7.097 -14.183 276 HA TYR 16 HA TYR 16 -5.656 -9.293 -14.006 277 HB2 TYR 16 HB2 TYR 16 -5.135 -7.561 -15.851 278 HB3 TYR 16 HB3 TYR 16 -3.743 -8.536 -16.275 279 HD1 TYR 16 HD1 TYR 16 -4.711 -11.293 -16.500 280 HD2 TYR 16 HD2 TYR 16 -6.690 -7.568 -17.452 281 HE1 TYR 16 HE1 TYR 16 -6.248 -12.514 -17.966 282 HE2 TYR 16 HE2 TYR 16 -8.231 -8.808 -18.976 283 HH TYR 16 HH TYR 16 -8.118 -12.379 -19.313 284 H LEU 17 H LEU 17 -2.144 -9.199 -13.953 285 HA LEU 17 HA LEU 17 -1.809 -12.066 -14.494 286 HB2 LEU 17 HB2 LEU 17 -0.206 -10.296 -15.249 287 HB3 LEU 17 HB3 LEU 17 0.056 -9.794 -13.609 288 HG LEU 17 HG LEU 17 1.053 -11.870 -12.942 289 HD11 LEU 17 HD11 LEU 17 1.759 -13.547 -14.667 290 HD12 LEU 17 HD12 LEU 17 0.784 -12.689 -15.881 291 HD13 LEU 17 HD13 LEU 17 0.005 -13.481 -14.488 292 HD21 LEU 17 HD21 LEU 17 3.162 -11.637 -14.208 293 HD22 LEU 17 HD22 LEU 17 2.468 -10.057 -13.806 294 HD23 LEU 17 HD23 LEU 17 2.319 -10.697 -15.459 295 H VAL 18 H VAL 18 -1.607 -9.737 -11.889 296 HA VAL 18 HA VAL 18 -0.761 -11.383 -9.721 297 HB VAL 18 HB VAL 18 -2.125 -8.644 -9.963 298 HG11 VAL 18 HG11 VAL 18 -1.157 -10.207 -7.533 299 HG12 VAL 18 HG12 VAL 18 -1.261 -8.450 -7.552 300 HG13 VAL 18 HG13 VAL 18 -2.730 -9.410 -7.792 301 HG21 VAL 18 HG21 VAL 18 0.665 -9.468 -9.101 302 HG22 VAL 18 HG22 VAL 18 0.329 -9.135 -10.779 303 HG23 VAL 18 HG23 VAL 18 0.144 -7.847 -9.602 304 H CYS 19 H CYS 19 -3.909 -10.410 -10.925 305 HA CYS 19 HA CYS 19 -5.448 -11.982 -8.949 306 HB2 CYS 19 HB2 CYS 19 -6.163 -10.657 -11.579 307 HB3 CYS 19 HB3 CYS 19 -7.344 -11.429 -10.525 308 H GLY 20 H GLY 20 -4.067 -12.440 -12.140 309 HA2 GLY 20 HA2 GLY 20 -4.006 -14.145 -13.623 310 HA3 GLY 20 HA3 GLY 20 -4.270 -15.280 -12.271 311 H GLU 21 H GLU 21 -6.177 -12.714 -13.843 312 HA GLU 21 HA GLU 21 -8.283 -12.537 -14.600 313 HB2 GLU 21 HB2 GLU 21 -7.102 -14.254 -16.152 314 HB3 GLU 21 HB3 GLU 21 -8.231 -15.424 -15.468 315 HG2 GLU 21 HG2 GLU 21 -10.130 -14.041 -16.293 316 HG3 GLU 21 HG3 GLU 21 -9.000 -12.810 -16.848 317 H ARG 22 H ARG 22 -7.976 -13.873 -11.732 318 HA ARG 22 HA ARG 22 -10.517 -15.123 -11.250 319 HB2 ARG 22 HB2 ARG 22 -9.970 -15.225 -9.090 320 HB3 ARG 22 HB3 ARG 22 -8.375 -15.003 -9.775 321 HG2 ARG 22 HG2 ARG 22 -8.579 -12.519 -9.195 322 HG3 ARG 22 HG3 ARG 22 -10.134 -12.880 -8.436 323 HD2 ARG 22 HD2 ARG 22 -8.592 -12.854 -6.690 324 HD3 ARG 22 HD3 ARG 22 -8.965 -14.565 -6.993 325 HE ARG 22 HE ARG 22 -6.751 -14.277 -8.516 326 HH11 ARG 22 HH11 ARG 22 -4.572 -14.406 -7.923 327 HH12 ARG 22 HH12 ARG 22 -4.139 -13.944 -6.279 328 HH21 ARG 22 HH21 ARG 22 -7.179 -13.137 -5.177 329 HH22 ARG 22 HH22 ARG 22 -5.447 -13.336 -4.891 330 H GLY 23 H GLY 23 -9.750 -11.860 -11.782 331 HA2 GLY 23 HA2 GLY 23 -11.385 -10.231 -12.352 332 HA3 GLY 23 HA3 GLY 23 -12.527 -10.900 -11.189 333 H PHE 24 H PHE 24 -11.878 -8.255 -11.439 334 HA PHE 24 HA PHE 24 -10.878 -7.241 -8.900 335 HB2 PHE 24 HB2 PHE 24 -9.049 -5.988 -10.003 336 HB3 PHE 24 HB3 PHE 24 -8.768 -7.702 -9.937 337 HD1 PHE 24 HD1 PHE 24 -9.008 -4.836 -12.115 338 HD2 PHE 24 HD2 PHE 24 -8.865 -9.133 -11.986 339 HE1 PHE 24 HE1 PHE 24 -8.238 -4.891 -14.490 340 HE2 PHE 24 HE2 PHE 24 -8.249 -9.191 -14.389 341 HZ PHE 24 HZ PHE 24 -7.944 -7.061 -15.636 342 H PHE 25 H PHE 25 -10.781 -4.836 -8.936 343 HA PHE 25 HA PHE 25 -12.336 -3.498 -11.105 344 HB2 PHE 25 HB2 PHE 25 -12.740 -3.208 -8.098 345 HB3 PHE 25 HB3 PHE 25 -13.233 -1.981 -9.264 346 HD1 PHE 25 HD1 PHE 25 -14.958 -2.425 -10.970 347 HD2 PHE 25 HD2 PHE 25 -14.055 -5.266 -7.851 348 HE1 PHE 25 HE1 PHE 25 -17.120 -3.603 -11.404 349 HE2 PHE 25 HE2 PHE 25 -16.213 -6.428 -8.280 350 HZ PHE 25 HZ PHE 25 -17.739 -5.603 -10.068 351 H TYR 26 H TYR 26 -10.852 -2.339 -12.078 352 HA TYR 26 HA TYR 26 -8.438 -1.387 -10.754 353 HB2 TYR 26 HB2 TYR 26 -7.835 -0.712 -13.104 354 HB3 TYR 26 HB3 TYR 26 -8.151 -2.406 -12.835 355 HD1 TYR 26 HD1 TYR 26 -9.518 0.689 -14.390 356 HD2 TYR 26 HD2 TYR 26 -10.018 -3.555 -13.794 357 HE1 TYR 26 HE1 TYR 26 -11.319 0.651 -16.126 358 HE2 TYR 26 HE2 TYR 26 -11.860 -3.579 -15.464 359 HH TYR 26 HH TYR 26 -13.081 -2.352 -16.979 360 H THR 27 H THR 27 -11.373 -0.032 -10.577 361 HA THR 27 HA THR 27 -11.364 2.552 -11.456 362 HB THR 27 HB THR 27 -12.300 1.712 -8.688 363 HG1 THR 27 HG1 THR 27 -14.192 1.097 -9.780 364 HG21 THR 27 HG21 THR 27 -14.143 3.307 -9.138 365 HG22 THR 27 HG22 THR 27 -13.386 3.746 -10.688 366 HG23 THR 27 HG23 THR 27 -12.576 4.121 -9.145 367 HA PRO 28 HA PRO 28 -7.832 4.273 -9.272 368 HB2 PRO 28 HB2 PRO 28 -7.929 6.882 -10.070 369 HB3 PRO 28 HB3 PRO 28 -7.503 5.548 -11.180 370 HG2 PRO 28 HG2 PRO 28 -10.220 6.855 -10.832 371 HG3 PRO 28 HG3 PRO 28 -9.333 6.527 -12.359 372 HD2 PRO 28 HD2 PRO 28 -11.255 4.848 -11.433 373 HD3 PRO 28 HD3 PRO 28 -9.782 4.208 -12.229 374 H LYS 29 H LYS 29 -11.057 5.684 -8.806 375 HA LYS 29 HA LYS 29 -10.352 7.057 -6.304 376 HB2 LYS 29 HB2 LYS 29 -11.879 8.111 -7.833 377 HB3 LYS 29 HB3 LYS 29 -12.936 6.703 -7.891 378 HG2 LYS 29 HG2 LYS 29 -12.420 7.992 -5.213 379 HG3 LYS 29 HG3 LYS 29 -13.452 8.842 -6.369 380 HD2 LYS 29 HD2 LYS 29 -15.094 7.136 -6.404 381 HD3 LYS 29 HD3 LYS 29 -13.993 5.920 -5.760 382 HE2 LYS 29 HE2 LYS 29 -15.469 6.477 -3.995 383 HE3 LYS 29 HE3 LYS 29 -13.872 7.127 -3.613 384 HZ1 LYS 29 HZ1 LYS 29 -16.146 8.716 -4.707 385 HZ2 LYS 29 HZ2 LYS 29 -14.679 9.324 -4.314 386 HZ3 LYS 29 HZ3 LYS 29 -15.652 8.736 -3.150 387 H THR 30 H THR 30 -10.767 6.356 -4.310 388 HA THR 30 HA THR 30 -11.939 3.649 -3.847 389 HB THR 30 HB THR 30 -10.098 3.355 -2.115 390 HG1 THR 30 HG1 THR 30 -9.296 5.441 -2.037 391 HG21 THR 30 HG21 THR 30 -9.189 3.529 -5.016 392 HG22 THR 30 HG22 THR 30 -10.074 2.167 -4.295 393 HG23 THR 30 HG23 THR 30 -8.445 2.561 -3.720 394 H ARG 31 H ARG 31 -12.541 3.239 -1.610 395 HA ARG 31 HA ARG 31 -13.132 5.580 0.098 396 HB2 ARG 31 HB2 ARG 31 -15.470 5.054 0.301 397 HB3 ARG 31 HB3 ARG 31 -15.085 5.378 -1.388 398 HG2 ARG 31 HG2 ARG 31 -15.051 2.921 -1.847 399 HG3 ARG 31 HG3 ARG 31 -15.491 2.600 -0.166 400 HD2 ARG 31 HD2 ARG 31 -17.154 4.220 -2.128 401 HD3 ARG 31 HD3 ARG 31 -17.402 2.510 -1.758 402 HE ARG 31 HE ARG 31 -17.444 3.877 0.704 403 HH11 ARG 31 HH11 ARG 31 -19.449 3.743 -2.157 404 HH12 ARG 31 HH12 ARG 31 -20.892 4.168 -1.278 405 HH21 ARG 31 HH21 ARG 31 -19.309 4.441 1.759 406 HH22 ARG 31 HH22 ARG 31 -20.811 4.537 0.882 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -5.721 6.095 -3.467 2 H2 GLY 1 H2 GLY 1 -6.219 4.627 -2.941 3 H3 GLY 1 H3 GLY 1 -7.310 5.703 -3.522 4 HA2 GLY 1 HA2 GLY 1 -6.907 3.997 -5.162 5 HA3 GLY 1 HA3 GLY 1 -6.373 5.591 -5.733 6 H ILE 2 H ILE 2 -5.455 2.587 -6.123 7 HA ILE 2 HA ILE 2 -2.753 2.534 -4.978 8 HB ILE 2 HB ILE 2 -3.980 0.501 -5.006 9 HG12 ILE 2 HG12 ILE 2 -2.026 0.254 -7.308 10 HG13 ILE 2 HG13 ILE 2 -1.506 0.451 -5.627 11 HG21 ILE 2 HG21 ILE 2 -4.800 -0.526 -7.061 12 HG22 ILE 2 HG22 ILE 2 -5.611 0.981 -6.782 13 HG23 ILE 2 HG23 ILE 2 -4.331 0.935 -8.012 14 HD11 ILE 2 HD11 ILE 2 -3.039 -1.925 -6.773 15 HD12 ILE 2 HD12 ILE 2 -1.343 -1.855 -6.250 16 HD13 ILE 2 HD13 ILE 2 -2.645 -1.694 -5.053 17 H VAL 3 H VAL 3 -4.110 3.013 -8.251 18 HA VAL 3 HA VAL 3 -2.055 3.448 -9.919 19 HB VAL 3 HB VAL 3 -4.158 5.587 -9.438 20 HG11 VAL 3 HG11 VAL 3 -2.514 6.087 -11.216 21 HG12 VAL 3 HG12 VAL 3 -2.884 4.545 -12.011 22 HG13 VAL 3 HG13 VAL 3 -4.119 5.821 -11.892 23 HG21 VAL 3 HG21 VAL 3 -5.693 4.357 -10.945 24 HG22 VAL 3 HG22 VAL 3 -4.627 2.949 -10.890 25 HG23 VAL 3 HG23 VAL 3 -5.452 3.514 -9.420 26 H GLU 4 H GLU 4 -2.846 5.687 -7.257 27 HA GLU 4 HA GLU 4 -0.995 7.671 -8.097 28 HB2 GLU 4 HB2 GLU 4 -2.849 8.048 -6.497 29 HB3 GLU 4 HB3 GLU 4 -2.014 7.066 -5.284 30 HG2 GLU 4 HG2 GLU 4 -0.154 8.667 -5.223 31 HG3 GLU 4 HG3 GLU 4 -0.887 9.618 -6.517 32 H GLN 5 H GLN 5 -0.572 4.746 -6.213 33 HA GLN 5 HA GLN 5 2.217 5.262 -5.471 34 HB2 GLN 5 HB2 GLN 5 0.239 3.785 -4.325 35 HB3 GLN 5 HB3 GLN 5 0.997 2.522 -5.257 36 HG2 GLN 5 HG2 GLN 5 2.340 4.319 -3.189 37 HG3 GLN 5 HG3 GLN 5 1.891 2.630 -2.975 38 HE21 GLN 5 HE21 GLN 5 2.987 1.035 -4.564 39 HE22 GLN 5 HE22 GLN 5 4.629 1.401 -5.068 40 H CYS 6 H CYS 6 0.474 2.985 -7.617 41 HA CYS 6 HA CYS 6 2.877 1.763 -8.628 42 HB2 CYS 6 HB2 CYS 6 0.073 1.540 -9.694 43 HB3 CYS 6 HB3 CYS 6 1.446 0.517 -10.117 44 H CYS 7 H CYS 7 1.002 4.493 -9.937 45 HA CYS 7 HA CYS 7 2.439 4.216 -12.490 46 HB2 CYS 7 HB2 CYS 7 0.094 4.908 -12.439 47 HB3 CYS 7 HB3 CYS 7 0.443 6.283 -11.446 48 H THR 8 H THR 8 2.735 6.165 -9.505 49 HA THR 8 HA THR 8 4.827 7.880 -10.680 50 HB THR 8 HB THR 8 4.960 8.985 -8.573 51 HG1 THR 8 HG1 THR 8 2.895 7.568 -7.398 52 HG21 THR 8 HG21 THR 8 3.119 9.598 -10.074 53 HG22 THR 8 HG22 THR 8 2.680 9.827 -8.366 54 HG23 THR 8 HG23 THR 8 2.048 8.430 -9.272 55 H SER 9 H SER 9 4.628 5.135 -8.407 56 HA SER 9 HA SER 9 7.552 4.764 -8.697 57 HB2 SER 9 HB2 SER 9 6.140 4.382 -6.061 58 HB3 SER 9 HB3 SER 9 7.859 4.254 -6.384 59 HG SER 9 HG SER 9 7.287 6.263 -5.399 60 H ILE 10 H ILE 10 7.912 2.470 -7.315 61 HA ILE 10 HA ILE 10 6.739 0.650 -9.227 62 HB ILE 10 HB ILE 10 8.354 -0.995 -8.244 63 HG12 ILE 10 HG12 ILE 10 9.257 1.431 -6.599 64 HG13 ILE 10 HG13 ILE 10 8.430 0.024 -5.945 65 HG21 ILE 10 HG21 ILE 10 8.769 0.514 -10.209 66 HG22 ILE 10 HG22 ILE 10 9.540 1.677 -9.119 67 HG23 ILE 10 HG23 ILE 10 10.242 0.061 -9.346 68 HD11 ILE 10 HD11 ILE 10 11.198 0.105 -7.180 69 HD12 ILE 10 HD12 ILE 10 10.769 -0.115 -5.481 70 HD13 ILE 10 HD13 ILE 10 10.369 -1.387 -6.659 71 H CYS 11 H CYS 11 5.695 -1.215 -8.979 72 HA CYS 11 HA CYS 11 4.558 -2.050 -6.360 73 HB2 CYS 11 HB2 CYS 11 3.069 -1.433 -8.933 74 HB3 CYS 11 HB3 CYS 11 2.407 -2.472 -7.677 75 H SER 12 H SER 12 3.478 -4.206 -6.584 76 HA SER 12 HA SER 12 4.267 -6.077 -8.700 77 HB2 SER 12 HB2 SER 12 5.541 -7.537 -7.228 78 HB3 SER 12 HB3 SER 12 6.292 -5.932 -7.199 79 HG SER 12 HG SER 12 6.096 -6.619 -5.085 80 H LEU 13 H LEU 13 3.636 -8.479 -7.404 81 HA LEU 13 HA LEU 13 0.806 -8.165 -6.869 82 HB2 LEU 13 HB2 LEU 13 0.843 -10.603 -6.293 83 HB3 LEU 13 HB3 LEU 13 1.346 -10.201 -7.915 84 HG LEU 13 HG LEU 13 3.685 -10.578 -7.365 85 HD11 LEU 13 HD11 LEU 13 4.208 -11.820 -5.239 86 HD12 LEU 13 HD12 LEU 13 2.616 -11.341 -4.618 87 HD13 LEU 13 HD13 LEU 13 3.857 -10.117 -4.999 88 HD21 LEU 13 HD21 LEU 13 2.256 -12.387 -8.242 89 HD22 LEU 13 HD22 LEU 13 1.814 -12.854 -6.583 90 HD23 LEU 13 HD23 LEU 13 3.486 -13.030 -7.145 91 H TYR 14 H TYR 14 3.463 -7.594 -4.884 92 HA TYR 14 HA TYR 14 2.153 -8.098 -2.351 93 HB2 TYR 14 HB2 TYR 14 4.733 -7.524 -3.171 94 HB3 TYR 14 HB3 TYR 14 4.241 -5.993 -2.499 95 HD1 TYR 14 HD1 TYR 14 4.699 -9.611 -1.920 96 HD2 TYR 14 HD2 TYR 14 3.947 -5.800 -0.043 97 HE1 TYR 14 HE1 TYR 14 5.174 -10.619 0.327 98 HE2 TYR 14 HE2 TYR 14 4.429 -6.797 2.182 99 HH TYR 14 HH TYR 14 5.002 -8.688 3.345 100 H GLN 15 H GLN 15 1.717 -5.679 -4.817 101 HA GLN 15 HA GLN 15 0.082 -4.024 -2.909 102 HB2 GLN 15 HB2 GLN 15 1.377 -3.074 -5.471 103 HB3 GLN 15 HB3 GLN 15 0.407 -2.147 -4.314 104 HG2 GLN 15 HG2 GLN 15 2.315 -3.208 -2.639 105 HG3 GLN 15 HG3 GLN 15 3.241 -3.121 -4.123 106 HE21 GLN 15 HE21 GLN 15 4.271 -1.675 -2.154 107 HE22 GLN 15 HE22 GLN 15 3.854 0.024 -2.293 108 H LEU 16 H LEU 16 0.231 -5.193 -6.309 109 HA LEU 16 HA LEU 16 -2.359 -4.322 -7.137 110 HB2 LEU 16 HB2 LEU 16 -0.418 -6.443 -8.054 111 HB3 LEU 16 HB3 LEU 16 -1.992 -6.198 -8.840 112 HG LEU 16 HG LEU 16 -0.027 -5.218 -9.963 113 HD11 LEU 16 HD11 LEU 16 -1.965 -3.037 -9.285 114 HD12 LEU 16 HD12 LEU 16 -2.579 -4.493 -10.073 115 HD13 LEU 16 HD13 LEU 16 -1.346 -3.549 -10.878 116 HD21 LEU 16 HD21 LEU 16 -0.236 -3.126 -7.788 117 HD22 LEU 16 HD22 LEU 16 0.652 -2.942 -9.319 118 HD23 LEU 16 HD23 LEU 16 1.162 -4.170 -8.155 119 H GLU 17 H GLU 17 -1.528 -7.257 -5.289 120 HA GLU 17 HA GLU 17 -3.949 -8.620 -6.093 121 HB2 GLU 17 HB2 GLU 17 -1.685 -9.573 -5.187 122 HB3 GLU 17 HB3 GLU 17 -2.479 -9.393 -3.598 123 HG2 GLU 17 HG2 GLU 17 -4.434 -10.710 -4.685 124 HG3 GLU 17 HG3 GLU 17 -3.352 -10.970 -6.061 125 H ASN 18 H ASN 18 -3.541 -5.992 -4.196 126 HA ASN 18 HA ASN 18 -5.842 -6.341 -2.377 127 HB2 ASN 18 HB2 ASN 18 -4.218 -3.904 -3.235 128 HB3 ASN 18 HB3 ASN 18 -5.582 -3.824 -2.152 129 HD21 ASN 18 HD21 ASN 18 -2.239 -4.631 -2.426 130 HD22 ASN 18 HD22 ASN 18 -1.982 -5.064 -0.731 131 H TYR 19 H TYR 19 -5.473 -5.661 -5.820 132 HA TYR 19 HA TYR 19 -8.002 -4.105 -5.954 133 HB2 TYR 19 HB2 TYR 19 -6.068 -5.311 -7.931 134 HB3 TYR 19 HB3 TYR 19 -7.637 -4.740 -8.433 135 HD1 TYR 19 HD1 TYR 19 -8.272 -2.288 -7.721 136 HD2 TYR 19 HD2 TYR 19 -4.337 -3.894 -8.200 137 HE1 TYR 19 HE1 TYR 19 -7.572 -0.199 -8.961 138 HE2 TYR 19 HE2 TYR 19 -3.722 -2.047 -9.686 139 HH TYR 19 HH TYR 19 -4.443 -0.081 -10.699 140 H CYS 20 H CYS 20 -6.894 -7.462 -6.397 141 HA CYS 20 HA CYS 20 -8.897 -8.380 -7.957 142 HB2 CYS 20 HB2 CYS 20 -7.799 -10.059 -5.711 143 HB3 CYS 20 HB3 CYS 20 -8.383 -10.585 -7.320 144 H ASN 21 H ASN 21 -10.824 -9.621 -7.652 145 HA ASN 21 HA ASN 21 -12.403 -8.537 -5.462 146 HB2 ASN 21 HB2 ASN 21 -13.143 -10.231 -7.896 147 HB3 ASN 21 HB3 ASN 21 -14.320 -9.669 -6.713 148 HD21 ASN 21 HD21 ASN 21 -14.806 -8.965 -9.257 149 HD22 ASN 21 HD22 ASN 21 -14.435 -7.262 -9.487 150 H SER 22 H SER 22 -13.414 -9.640 -3.842 151 HA SER 22 HA SER 22 -13.286 -12.565 -3.579 152 HB2 SER 22 HB2 SER 22 -12.321 -12.487 -1.316 153 HB3 SER 22 HB3 SER 22 -11.186 -11.979 -2.568 154 HG SER 22 HG SER 22 -11.618 -9.793 -2.017 155 H1 PHE 1 H1 PHE 1 8.138 -12.649 -12.366 156 H2 PHE 1 H2 PHE 1 6.641 -13.138 -11.897 157 H3 PHE 1 H3 PHE 1 7.775 -12.738 -10.774 158 HA PHE 1 HA PHE 1 6.572 -10.874 -12.709 159 HB2 PHE 1 HB2 PHE 1 5.385 -9.858 -10.876 160 HB3 PHE 1 HB3 PHE 1 4.973 -11.548 -10.923 161 HD1 PHE 1 HD1 PHE 1 6.741 -8.891 -9.034 162 HD2 PHE 1 HD2 PHE 1 5.651 -13.074 -9.090 163 HE1 PHE 1 HE1 PHE 1 7.386 -9.102 -6.640 164 HE2 PHE 1 HE2 PHE 1 6.310 -13.268 -6.705 165 HZ PHE 1 HZ PHE 1 7.161 -11.280 -5.476 166 H VAL 2 H VAL 2 6.986 -8.551 -12.043 167 HA VAL 2 HA VAL 2 9.748 -8.134 -10.977 168 HB VAL 2 HB VAL 2 10.066 -6.407 -12.758 169 HG11 VAL 2 HG11 VAL 2 10.810 -7.971 -14.466 170 HG12 VAL 2 HG12 VAL 2 11.157 -8.614 -12.854 171 HG13 VAL 2 HG13 VAL 2 9.785 -9.251 -13.786 172 HG21 VAL 2 HG21 VAL 2 8.832 -6.531 -14.857 173 HG22 VAL 2 HG22 VAL 2 7.774 -7.801 -14.220 174 HG23 VAL 2 HG23 VAL 2 7.708 -6.157 -13.544 175 H LYS 3 H LYS 3 10.106 -6.244 -9.853 176 HA LYS 3 HA LYS 3 7.803 -4.627 -9.023 177 HB2 LYS 3 HB2 LYS 3 10.766 -4.190 -8.498 178 HB3 LYS 3 HB3 LYS 3 9.416 -3.328 -7.741 179 HG2 LYS 3 HG2 LYS 3 8.612 -5.439 -6.725 180 HG3 LYS 3 HG3 LYS 3 9.931 -6.331 -7.504 181 HD2 LYS 3 HD2 LYS 3 11.571 -4.881 -6.260 182 HD3 LYS 3 HD3 LYS 3 10.201 -4.150 -5.391 183 HE2 LYS 3 HE2 LYS 3 9.525 -6.416 -4.595 184 HE3 LYS 3 HE3 LYS 3 10.874 -7.126 -5.494 185 HZ1 LYS 3 HZ1 LYS 3 11.438 -6.815 -3.143 186 HZ2 LYS 3 HZ2 LYS 3 11.138 -5.214 -3.231 187 HZ3 LYS 3 HZ3 LYS 3 12.395 -5.862 -4.051 188 H GLN 4 H GLN 4 6.995 -3.040 -10.246 189 HA GLN 4 HA GLN 4 8.703 -1.450 -12.071 190 HB2 GLN 4 HB2 GLN 4 7.944 -3.777 -13.022 191 HB3 GLN 4 HB3 GLN 4 6.362 -3.028 -13.190 192 HG2 GLN 4 HG2 GLN 4 7.220 -1.480 -14.842 193 HG3 GLN 4 HG3 GLN 4 8.898 -1.808 -14.376 194 HE21 GLN 4 HE21 GLN 4 6.059 -3.856 -15.396 195 HE22 GLN 4 HE22 GLN 4 7.032 -4.813 -16.503 196 H HIS 5 H HIS 5 7.381 0.171 -13.331 197 HA HIS 5 HA HIS 5 5.211 1.288 -11.629 198 HB2 HIS 5 HB2 HIS 5 6.011 3.503 -12.201 199 HB3 HIS 5 HB3 HIS 5 7.066 2.540 -11.170 200 HD1 HIS 5 HD1 HIS 5 8.783 4.621 -12.029 201 HD2 HIS 5 HD2 HIS 5 7.798 1.544 -14.729 202 HE1 HIS 5 HE1 HIS 5 10.566 4.665 -13.851 203 H LEU 6 H LEU 6 3.362 1.607 -12.490 204 HA LEU 6 HA LEU 6 2.954 1.641 -15.446 205 HB2 LEU 6 HB2 LEU 6 1.420 -0.044 -13.435 206 HB3 LEU 6 HB3 LEU 6 1.375 -0.130 -15.166 207 HG LEU 6 HG LEU 6 2.404 -1.986 -14.655 208 HD11 LEU 6 HD11 LEU 6 3.942 -0.513 -16.172 209 HD12 LEU 6 HD12 LEU 6 4.369 -2.141 -15.644 210 HD13 LEU 6 HD13 LEU 6 5.069 -0.760 -14.818 211 HD21 LEU 6 HD21 LEU 6 3.944 -0.751 -12.413 212 HD22 LEU 6 HD22 LEU 6 4.070 -2.434 -12.964 213 HD23 LEU 6 HD23 LEU 6 2.542 -1.821 -12.333 214 H CYS 7 H CYS 7 1.165 2.646 -16.175 215 HA CYS 7 HA CYS 7 -0.809 3.826 -14.261 216 HB2 CYS 7 HB2 CYS 7 0.855 5.173 -16.193 217 HB3 CYS 7 HB3 CYS 7 -0.787 5.214 -16.787 218 H GLY 8 H GLY 8 -2.945 3.343 -14.705 219 HA2 GLY 8 HA2 GLY 8 -4.834 2.564 -15.764 220 HA3 GLY 8 HA3 GLY 8 -4.125 3.235 -17.230 221 H SER 9 H SER 9 -3.743 1.829 -18.868 222 HA SER 9 HA SER 9 -4.529 -0.885 -18.768 223 HB2 SER 9 HB2 SER 9 -2.649 0.496 -20.752 224 HB3 SER 9 HB3 SER 9 -3.569 -1.004 -21.036 225 HG SER 9 HG SER 9 -4.635 0.829 -21.923 226 H HIS 10 H HIS 10 -1.203 0.472 -18.428 227 HA HIS 10 HA HIS 10 -0.009 -2.219 -18.355 228 HB2 HIS 10 HB2 HIS 10 1.070 0.501 -17.562 229 HB3 HIS 10 HB3 HIS 10 1.994 -0.995 -17.440 230 HD1 HIS 10 HD1 HIS 10 2.073 -2.381 -20.056 231 HD2 HIS 10 HD2 HIS 10 1.049 1.701 -19.807 232 HE1 HIS 10 HE1 HIS 10 2.386 -1.422 -22.399 233 H LEU 11 H LEU 11 -1.545 -0.069 -16.041 234 HA LEU 11 HA LEU 11 -0.393 -1.384 -13.701 235 HB2 LEU 11 HB2 LEU 11 -1.563 1.031 -14.073 236 HB3 LEU 11 HB3 LEU 11 -2.980 0.118 -13.573 237 HG LEU 11 HG LEU 11 -0.388 0.634 -12.040 238 HD11 LEU 11 HD11 LEU 11 -1.967 2.418 -11.886 239 HD12 LEU 11 HD12 LEU 11 -2.149 1.464 -10.381 240 HD13 LEU 11 HD13 LEU 11 -3.332 1.301 -11.689 241 HD21 LEU 11 HD21 LEU 11 -2.566 -1.338 -11.416 242 HD22 LEU 11 HD22 LEU 11 -1.498 -0.658 -10.154 243 HD23 LEU 11 HD23 LEU 11 -0.798 -1.578 -11.485 244 H VAL 12 H VAL 12 -3.453 -1.567 -15.557 245 HA VAL 12 HA VAL 12 -4.471 -3.940 -14.306 246 HB VAL 12 HB VAL 12 -4.860 -2.868 -17.126 247 HG11 VAL 12 HG11 VAL 12 -5.321 -5.219 -17.323 248 HG12 VAL 12 HG12 VAL 12 -6.200 -5.233 -15.781 249 HG13 VAL 12 HG13 VAL 12 -6.873 -4.385 -17.196 250 HG21 VAL 12 HG21 VAL 12 -5.798 -1.490 -15.287 251 HG22 VAL 12 HG22 VAL 12 -7.074 -2.223 -16.262 252 HG23 VAL 12 HG23 VAL 12 -6.660 -2.913 -14.676 253 H GLU 13 H GLU 13 -1.924 -3.522 -16.836 254 HA GLU 13 HA GLU 13 -1.805 -6.294 -17.547 255 HB2 GLU 13 HB2 GLU 13 -0.826 -4.344 -18.798 256 HB3 GLU 13 HB3 GLU 13 0.475 -4.295 -17.601 257 HG2 GLU 13 HG2 GLU 13 1.256 -6.485 -18.261 258 HG3 GLU 13 HG3 GLU 13 -0.148 -6.704 -19.315 259 H ALA 14 H ALA 14 -0.623 -4.605 -14.694 260 HA ALA 14 HA ALA 14 0.857 -6.995 -13.710 261 HB1 ALA 14 HB1 ALA 14 1.736 -4.735 -13.243 262 HB2 ALA 14 HB2 ALA 14 0.220 -4.281 -12.483 263 HB3 ALA 14 HB3 ALA 14 1.212 -5.589 -11.752 264 H LEU 15 H LEU 15 -2.058 -5.076 -12.809 265 HA LEU 15 HA LEU 15 -3.146 -6.550 -10.809 266 HB2 LEU 15 HB2 LEU 15 -3.825 -4.398 -12.279 267 HB3 LEU 15 HB3 LEU 15 -4.904 -5.556 -13.054 268 HG LEU 15 HG LEU 15 -4.778 -4.738 -10.167 269 HD11 LEU 15 HD11 LEU 15 -5.789 -3.082 -11.631 270 HD12 LEU 15 HD12 LEU 15 -7.077 -3.865 -10.710 271 HD13 LEU 15 HD13 LEU 15 -6.790 -4.320 -12.399 272 HD21 LEU 15 HD21 LEU 15 -6.379 -6.884 -11.509 273 HD22 LEU 15 HD22 LEU 15 -6.841 -6.142 -9.959 274 HD23 LEU 15 HD23 LEU 15 -5.308 -6.970 -10.081 275 H TYR 16 H TYR 16 -3.683 -7.102 -14.243 276 HA TYR 16 HA TYR 16 -5.499 -9.319 -14.137 277 HB2 TYR 16 HB2 TYR 16 -5.002 -7.583 -15.946 278 HB3 TYR 16 HB3 TYR 16 -3.548 -8.473 -16.342 279 HD1 TYR 16 HD1 TYR 16 -4.267 -11.231 -16.719 280 HD2 TYR 16 HD2 TYR 16 -6.568 -7.664 -17.538 281 HE1 TYR 16 HE1 TYR 16 -5.627 -12.497 -18.332 282 HE2 TYR 16 HE2 TYR 16 -7.940 -8.952 -19.183 283 HH TYR 16 HH TYR 16 -8.318 -10.979 -20.179 284 H LEU 17 H LEU 17 -2.001 -9.154 -13.941 285 HA LEU 17 HA LEU 17 -1.556 -12.019 -14.480 286 HB2 LEU 17 HB2 LEU 17 -0.002 -10.194 -15.212 287 HB3 LEU 17 HB3 LEU 17 0.228 -9.698 -13.573 288 HG LEU 17 HG LEU 17 1.238 -11.750 -12.885 289 HD11 LEU 17 HD11 LEU 17 1.027 -12.579 -15.823 290 HD12 LEU 17 HD12 LEU 17 0.267 -13.399 -14.441 291 HD13 LEU 17 HD13 LEU 17 2.024 -13.409 -14.604 292 HD21 LEU 17 HD21 LEU 17 2.645 -9.904 -13.710 293 HD22 LEU 17 HD22 LEU 17 2.543 -10.547 -15.362 294 HD23 LEU 17 HD23 LEU 17 3.379 -11.474 -14.097 295 H VAL 18 H VAL 18 -1.427 -9.658 -11.886 296 HA VAL 18 HA VAL 18 -0.571 -11.248 -9.696 297 HB VAL 18 HB VAL 18 -2.185 -8.661 -9.924 298 HG11 VAL 18 HG11 VAL 18 -1.266 -8.389 -7.525 299 HG12 VAL 18 HG12 VAL 18 -2.671 -9.419 -7.776 300 HG13 VAL 18 HG13 VAL 18 -1.064 -10.136 -7.538 301 HG21 VAL 18 HG21 VAL 18 -0.239 -7.542 -10.122 302 HG22 VAL 18 HG22 VAL 18 0.628 -8.533 -8.983 303 HG23 VAL 18 HG23 VAL 18 0.473 -9.067 -10.642 304 H CYS 19 H CYS 19 -3.773 -10.389 -10.929 305 HA CYS 19 HA CYS 19 -5.177 -12.028 -8.898 306 HB2 CYS 19 HB2 CYS 19 -6.196 -10.542 -11.326 307 HB3 CYS 19 HB3 CYS 19 -7.208 -11.347 -10.111 308 H GLY 20 H GLY 20 -3.964 -12.402 -12.165 309 HA2 GLY 20 HA2 GLY 20 -3.996 -14.139 -13.653 310 HA3 GLY 20 HA3 GLY 20 -3.962 -15.177 -12.218 311 H GLU 21 H GLU 21 -6.392 -13.077 -13.773 312 HA GLU 21 HA GLU 21 -8.528 -13.295 -14.373 313 HB2 GLU 21 HB2 GLU 21 -7.328 -15.181 -15.734 314 HB3 GLU 21 HB3 GLU 21 -8.310 -16.269 -14.756 315 HG2 GLU 21 HG2 GLU 21 -10.362 -15.046 -15.571 316 HG3 GLU 21 HG3 GLU 21 -9.319 -14.005 -16.539 317 H ARG 22 H ARG 22 -7.758 -14.161 -11.374 318 HA ARG 22 HA ARG 22 -10.258 -15.322 -10.428 319 HB2 ARG 22 HB2 ARG 22 -8.132 -13.658 -9.024 320 HB3 ARG 22 HB3 ARG 22 -9.540 -14.319 -8.204 321 HG2 ARG 22 HG2 ARG 22 -8.921 -16.601 -8.753 322 HG3 ARG 22 HG3 ARG 22 -7.519 -16.064 -9.682 323 HD2 ARG 22 HD2 ARG 22 -7.936 -15.486 -6.715 324 HD3 ARG 22 HD3 ARG 22 -7.028 -16.879 -7.329 325 HE ARG 22 HE ARG 22 -5.826 -14.796 -8.622 326 HH11 ARG 22 HH11 ARG 22 -6.367 -15.292 -5.149 327 HH12 ARG 22 HH12 ARG 22 -4.934 -14.330 -4.773 328 HH21 ARG 22 HH21 ARG 22 -3.925 -13.661 -7.873 329 HH22 ARG 22 HH22 ARG 22 -3.725 -13.571 -6.133 330 H GLY 23 H GLY 23 -9.554 -12.209 -11.603 331 HA2 GLY 23 HA2 GLY 23 -11.181 -10.634 -12.241 332 HA3 GLY 23 HA3 GLY 23 -12.302 -11.242 -11.036 333 H PHE 24 H PHE 24 -11.768 -8.581 -11.469 334 HA PHE 24 HA PHE 24 -10.814 -7.354 -8.997 335 HB2 PHE 24 HB2 PHE 24 -8.974 -6.183 -10.094 336 HB3 PHE 24 HB3 PHE 24 -8.684 -7.901 -9.987 337 HD1 PHE 24 HD1 PHE 24 -8.721 -9.373 -11.983 338 HD2 PHE 24 HD2 PHE 24 -8.987 -5.080 -12.246 339 HE1 PHE 24 HE1 PHE 24 -8.112 -9.488 -14.379 340 HE2 PHE 24 HE2 PHE 24 -8.184 -5.183 -14.613 341 HZ PHE 24 HZ PHE 24 -7.827 -7.389 -15.684 342 H PHE 25 H PHE 25 -10.642 -4.972 -9.302 343 HA PHE 25 HA PHE 25 -12.134 -3.765 -11.562 344 HB2 PHE 25 HB2 PHE 25 -12.540 -3.175 -8.601 345 HB3 PHE 25 HB3 PHE 25 -12.898 -1.999 -9.858 346 HD1 PHE 25 HD1 PHE 25 -14.185 -4.850 -8.059 347 HD2 PHE 25 HD2 PHE 25 -14.529 -2.585 -11.705 348 HE1 PHE 25 HE1 PHE 25 -16.443 -5.819 -8.441 349 HE2 PHE 25 HE2 PHE 25 -16.793 -3.552 -12.093 350 HZ PHE 25 HZ PHE 25 -17.747 -5.170 -10.463 351 H TYR 26 H TYR 26 -11.306 -1.674 -12.117 352 HA TYR 26 HA TYR 26 -8.648 -0.970 -10.957 353 HB2 TYR 26 HB2 TYR 26 -7.756 -0.790 -13.258 354 HB3 TYR 26 HB3 TYR 26 -8.191 -2.411 -12.771 355 HD1 TYR 26 HD1 TYR 26 -9.103 0.392 -15.017 356 HD2 TYR 26 HD2 TYR 26 -9.988 -3.644 -13.806 357 HE1 TYR 26 HE1 TYR 26 -10.517 0.081 -17.058 358 HE2 TYR 26 HE2 TYR 26 -11.414 -3.953 -15.823 359 HH TYR 26 HH TYR 26 -12.229 -2.997 -17.736 360 H THR 27 H THR 27 -11.428 0.299 -10.890 361 HA THR 27 HA THR 27 -11.574 2.620 -12.379 362 HB THR 27 HB THR 27 -12.443 2.391 -9.480 363 HG1 THR 27 HG1 THR 27 -14.311 1.460 -10.338 364 HG21 THR 27 HG21 THR 27 -14.365 3.770 -10.273 365 HG22 THR 27 HG22 THR 27 -13.619 3.870 -11.886 366 HG23 THR 27 HG23 THR 27 -12.824 4.619 -10.485 367 HA PRO 28 HA PRO 28 -8.147 4.970 -10.538 368 HB2 PRO 28 HB2 PRO 28 -8.107 7.116 -12.192 369 HB3 PRO 28 HB3 PRO 28 -7.684 5.483 -12.763 370 HG2 PRO 28 HG2 PRO 28 -10.377 6.890 -12.980 371 HG3 PRO 28 HG3 PRO 28 -9.435 6.111 -14.295 372 HD2 PRO 28 HD2 PRO 28 -11.437 4.820 -12.966 373 HD3 PRO 28 HD3 PRO 28 -9.982 3.952 -13.536 374 H LYS 29 H LYS 29 -7.834 7.412 -9.886 375 HA LYS 29 HA LYS 29 -9.587 8.150 -7.795 376 HB2 LYS 29 HB2 LYS 29 -7.249 8.859 -7.980 377 HB3 LYS 29 HB3 LYS 29 -7.628 9.840 -9.405 378 HG2 LYS 29 HG2 LYS 29 -9.143 11.250 -8.025 379 HG3 LYS 29 HG3 LYS 29 -8.736 10.294 -6.590 380 HD2 LYS 29 HD2 LYS 29 -6.793 11.953 -8.256 381 HD3 LYS 29 HD3 LYS 29 -7.547 12.468 -6.740 382 HE2 LYS 29 HE2 LYS 29 -6.489 10.556 -5.557 383 HE3 LYS 29 HE3 LYS 29 -5.685 10.072 -7.057 384 HZ1 LYS 29 HZ1 LYS 29 -4.553 12.245 -7.049 385 HZ2 LYS 29 HZ2 LYS 29 -4.199 11.391 -5.701 386 HZ3 LYS 29 HZ3 LYS 29 -5.256 12.645 -5.625 387 H THR 30 H THR 30 -11.465 9.175 -7.684 388 HA THR 30 HA THR 30 -12.785 10.256 -10.086 389 HB THR 30 HB THR 30 -14.766 10.373 -8.546 390 HG1 THR 30 HG1 THR 30 -14.554 9.318 -6.563 391 HG21 THR 30 HG21 THR 30 -15.120 7.951 -8.442 392 HG22 THR 30 HG22 THR 30 -13.384 7.645 -8.674 393 HG23 THR 30 HG23 THR 30 -14.341 8.389 -9.973 394 H ARG 31 H ARG 31 -11.159 11.517 -7.325 395 HA ARG 31 HA ARG 31 -10.868 13.552 -6.380 396 HB2 ARG 31 HB2 ARG 31 -9.700 13.656 -8.597 397 HB3 ARG 31 HB3 ARG 31 -11.074 14.569 -9.233 398 HG2 ARG 31 HG2 ARG 31 -10.662 16.344 -7.509 399 HG3 ARG 31 HG3 ARG 31 -9.350 15.370 -6.838 400 HD2 ARG 31 HD2 ARG 31 -8.403 17.110 -8.240 401 HD3 ARG 31 HD3 ARG 31 -8.119 15.538 -8.980 402 HE ARG 31 HE ARG 31 -9.498 16.104 -10.770 403 HH11 ARG 31 HH11 ARG 31 -9.894 18.605 -8.337 404 HH12 ARG 31 HH12 ARG 31 -10.774 19.639 -9.429 405 HH21 ARG 31 HH21 ARG 31 -10.610 17.481 -12.093 406 HH22 ARG 31 HH22 ARG 31 -11.150 19.021 -11.490 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -5.882 4.992 -2.877 2 H2 GLY 1 H2 GLY 1 -6.960 6.010 -3.570 3 H3 GLY 1 H3 GLY 1 -5.356 6.331 -3.661 4 HA2 GLY 1 HA2 GLY 1 -6.716 4.039 -4.924 5 HA3 GLY 1 HA3 GLY 1 -6.161 5.491 -5.772 6 H ILE 2 H ILE 2 -5.357 2.515 -5.936 7 HA ILE 2 HA ILE 2 -2.642 2.376 -4.850 8 HB ILE 2 HB ILE 2 -3.876 0.371 -4.873 9 HG12 ILE 2 HG12 ILE 2 -2.079 0.123 -7.304 10 HG13 ILE 2 HG13 ILE 2 -1.436 0.292 -5.653 11 HG21 ILE 2 HG21 ILE 2 -5.607 0.880 -6.530 12 HG22 ILE 2 HG22 ILE 2 -4.399 0.915 -7.836 13 HG23 ILE 2 HG23 ILE 2 -4.803 -0.603 -6.950 14 HD11 ILE 2 HD11 ILE 2 -1.360 -1.988 -6.330 15 HD12 ILE 2 HD12 ILE 2 -2.563 -1.825 -5.029 16 HD13 ILE 2 HD13 ILE 2 -3.089 -2.031 -6.717 17 H VAL 3 H VAL 3 -3.985 2.898 -8.117 18 HA VAL 3 HA VAL 3 -1.947 3.329 -9.792 19 HB VAL 3 HB VAL 3 -4.025 5.483 -9.232 20 HG11 VAL 3 HG11 VAL 3 -2.762 4.510 -11.828 21 HG12 VAL 3 HG12 VAL 3 -3.992 5.772 -11.673 22 HG13 VAL 3 HG13 VAL 3 -2.388 6.036 -10.995 23 HG21 VAL 3 HG21 VAL 3 -5.319 3.420 -9.256 24 HG22 VAL 3 HG22 VAL 3 -5.557 4.282 -10.765 25 HG23 VAL 3 HG23 VAL 3 -4.486 2.875 -10.728 26 H GLU 4 H GLU 4 -2.637 5.506 -7.035 27 HA GLU 4 HA GLU 4 -0.734 7.458 -7.891 28 HB2 GLU 4 HB2 GLU 4 -2.624 7.974 -6.414 29 HB3 GLU 4 HB3 GLU 4 -1.921 6.983 -5.124 30 HG2 GLU 4 HG2 GLU 4 -0.026 8.449 -4.919 31 HG3 GLU 4 HG3 GLU 4 -0.480 9.347 -6.371 32 H GLN 5 H GLN 5 -0.373 4.487 -6.141 33 HA GLN 5 HA GLN 5 2.437 4.960 -5.375 34 HB2 GLN 5 HB2 GLN 5 0.708 3.466 -4.138 35 HB3 GLN 5 HB3 GLN 5 0.912 2.320 -5.426 36 HG2 GLN 5 HG2 GLN 5 2.352 1.640 -3.645 37 HG3 GLN 5 HG3 GLN 5 3.366 2.191 -4.976 38 HE21 GLN 5 HE21 GLN 5 1.984 3.222 -1.793 39 HE22 GLN 5 HE22 GLN 5 3.286 4.353 -1.453 40 H CYS 6 H CYS 6 0.605 2.891 -7.593 41 HA CYS 6 HA CYS 6 2.900 1.642 -8.698 42 HB2 CYS 6 HB2 CYS 6 0.100 1.669 -9.781 43 HB3 CYS 6 HB3 CYS 6 1.401 0.554 -10.226 44 H CYS 7 H CYS 7 1.071 4.435 -10.000 45 HA CYS 7 HA CYS 7 2.330 4.168 -12.615 46 HB2 CYS 7 HB2 CYS 7 0.032 4.970 -12.311 47 HB3 CYS 7 HB3 CYS 7 0.556 6.268 -11.299 48 H THR 8 H THR 8 2.792 6.374 -9.838 49 HA THR 8 HA THR 8 5.073 7.685 -11.225 50 HB THR 8 HB THR 8 3.458 9.164 -10.486 51 HG1 THR 8 HG1 THR 8 4.654 10.472 -9.116 52 HG21 THR 8 HG21 THR 8 3.651 7.963 -7.721 53 HG22 THR 8 HG22 THR 8 2.248 7.964 -8.829 54 HG23 THR 8 HG23 THR 8 2.805 9.476 -8.119 55 H SER 9 H SER 9 4.458 5.579 -8.460 56 HA SER 9 HA SER 9 7.435 5.339 -8.093 57 HB2 SER 9 HB2 SER 9 5.452 4.366 -6.043 58 HB3 SER 9 HB3 SER 9 7.196 4.524 -5.923 59 HG SER 9 HG SER 9 5.997 6.228 -4.882 60 H ILE 10 H ILE 10 6.585 2.604 -6.750 61 HA ILE 10 HA ILE 10 6.319 1.059 -9.278 62 HB ILE 10 HB ILE 10 8.152 -0.440 -8.476 63 HG12 ILE 10 HG12 ILE 10 8.788 1.844 -6.546 64 HG13 ILE 10 HG13 ILE 10 8.185 0.251 -6.092 65 HG21 ILE 10 HG21 ILE 10 8.401 1.309 -10.264 66 HG22 ILE 10 HG22 ILE 10 9.092 2.395 -9.045 67 HG23 ILE 10 HG23 ILE 10 9.914 0.880 -9.462 68 HD11 ILE 10 HD11 ILE 10 10.885 0.897 -7.322 69 HD12 ILE 10 HD12 ILE 10 10.540 0.344 -5.683 70 HD13 ILE 10 HD13 ILE 10 10.270 -0.761 -7.044 71 H CYS 11 H CYS 11 5.563 -1.024 -9.128 72 HA CYS 11 HA CYS 11 4.509 -1.977 -6.513 73 HB2 CYS 11 HB2 CYS 11 2.947 -1.386 -9.042 74 HB3 CYS 11 HB3 CYS 11 2.367 -2.498 -7.810 75 H SER 12 H SER 12 3.499 -4.090 -6.677 76 HA SER 12 HA SER 12 4.400 -6.143 -8.558 77 HB2 SER 12 HB2 SER 12 6.391 -5.824 -7.138 78 HB3 SER 12 HB3 SER 12 5.398 -5.942 -5.677 79 HG SER 12 HG SER 12 6.490 -7.895 -6.203 80 H LEU 13 H LEU 13 3.586 -8.389 -7.378 81 HA LEU 13 HA LEU 13 0.792 -8.155 -6.883 82 HB2 LEU 13 HB2 LEU 13 1.383 -10.520 -5.612 83 HB3 LEU 13 HB3 LEU 13 0.944 -10.317 -7.264 84 HG LEU 13 HG LEU 13 3.406 -10.247 -7.874 85 HD11 LEU 13 HD11 LEU 13 3.687 -11.257 -5.004 86 HD12 LEU 13 HD12 LEU 13 4.299 -9.704 -5.599 87 HD13 LEU 13 HD13 LEU 13 4.976 -11.209 -6.226 88 HD21 LEU 13 HD21 LEU 13 3.651 -12.701 -7.641 89 HD22 LEU 13 HD22 LEU 13 2.032 -12.241 -8.185 90 HD23 LEU 13 HD23 LEU 13 2.293 -12.718 -6.493 91 H TYR 14 H TYR 14 3.462 -7.786 -4.719 92 HA TYR 14 HA TYR 14 2.250 -7.880 -2.188 93 HB2 TYR 14 HB2 TYR 14 4.715 -7.142 -3.302 94 HB3 TYR 14 HB3 TYR 14 4.138 -5.637 -2.633 95 HD1 TYR 14 HD1 TYR 14 4.997 -9.174 -1.933 96 HD2 TYR 14 HD2 TYR 14 4.050 -5.340 -0.195 97 HE1 TYR 14 HE1 TYR 14 5.756 -10.004 0.294 98 HE2 TYR 14 HE2 TYR 14 4.813 -6.166 2.038 99 HH TYR 14 HH TYR 14 6.048 -9.501 2.511 100 H GLN 15 H GLN 15 1.765 -5.424 -4.732 101 HA GLN 15 HA GLN 15 -0.017 -3.876 -2.915 102 HB2 GLN 15 HB2 GLN 15 1.268 -3.129 -5.553 103 HB3 GLN 15 HB3 GLN 15 0.404 -2.044 -4.458 104 HG2 GLN 15 HG2 GLN 15 2.999 -3.510 -3.676 105 HG3 GLN 15 HG3 GLN 15 2.949 -2.003 -4.477 106 HE21 GLN 15 HE21 GLN 15 1.745 -3.662 -1.469 107 HE22 GLN 15 HE22 GLN 15 1.788 -2.188 -0.507 108 H LEU 16 H LEU 16 0.213 -5.221 -6.252 109 HA LEU 16 HA LEU 16 -2.378 -4.414 -7.125 110 HB2 LEU 16 HB2 LEU 16 -0.421 -6.537 -7.976 111 HB3 LEU 16 HB3 LEU 16 -1.987 -6.320 -8.792 112 HG LEU 16 HG LEU 16 -0.023 -5.384 -9.928 113 HD11 LEU 16 HD11 LEU 16 -2.575 -4.625 -10.041 114 HD12 LEU 16 HD12 LEU 16 -1.325 -3.718 -10.875 115 HD13 LEU 16 HD13 LEU 16 -1.932 -3.158 -9.305 116 HD21 LEU 16 HD21 LEU 16 -0.201 -3.253 -7.794 117 HD22 LEU 16 HD22 LEU 16 0.660 -3.090 -9.343 118 HD23 LEU 16 HD23 LEU 16 1.189 -4.305 -8.170 119 H GLU 17 H GLU 17 -1.481 -7.354 -5.273 120 HA GLU 17 HA GLU 17 -3.898 -8.739 -6.065 121 HB2 GLU 17 HB2 GLU 17 -1.604 -9.662 -5.185 122 HB3 GLU 17 HB3 GLU 17 -2.371 -9.482 -3.585 123 HG2 GLU 17 HG2 GLU 17 -4.318 -10.858 -4.581 124 HG3 GLU 17 HG3 GLU 17 -3.310 -11.081 -6.011 125 H ASN 18 H ASN 18 -3.552 -6.104 -4.197 126 HA ASN 18 HA ASN 18 -5.845 -6.519 -2.375 127 HB2 ASN 18 HB2 ASN 18 -4.272 -4.026 -3.194 128 HB3 ASN 18 HB3 ASN 18 -5.623 -4.001 -2.096 129 HD21 ASN 18 HD21 ASN 18 -2.271 -4.728 -2.439 130 HD22 ASN 18 HD22 ASN 18 -1.978 -5.186 -0.751 131 H TYR 19 H TYR 19 -5.468 -5.778 -5.808 132 HA TYR 19 HA TYR 19 -7.981 -4.185 -5.915 133 HB2 TYR 19 HB2 TYR 19 -6.071 -5.385 -7.921 134 HB3 TYR 19 HB3 TYR 19 -7.640 -4.779 -8.410 135 HD1 TYR 19 HD1 TYR 19 -4.329 -3.999 -8.177 136 HD2 TYR 19 HD2 TYR 19 -8.223 -2.309 -7.634 137 HE1 TYR 19 HE1 TYR 19 -3.680 -2.138 -9.626 138 HE2 TYR 19 HE2 TYR 19 -7.476 -0.213 -8.835 139 HH TYR 19 HH TYR 19 -4.340 -0.115 -10.566 140 H CYS 20 H CYS 20 -6.938 -7.555 -6.406 141 HA CYS 20 HA CYS 20 -8.925 -8.413 -7.981 142 HB2 CYS 20 HB2 CYS 20 -7.908 -10.126 -5.728 143 HB3 CYS 20 HB3 CYS 20 -8.493 -10.626 -7.342 144 H ASN 21 H ASN 21 -10.843 -9.653 -7.724 145 HA ASN 21 HA ASN 21 -12.479 -8.632 -5.531 146 HB2 ASN 21 HB2 ASN 21 -13.157 -10.255 -8.030 147 HB3 ASN 21 HB3 ASN 21 -14.363 -9.760 -6.844 148 HD21 ASN 21 HD21 ASN 21 -14.761 -9.001 -9.419 149 HD22 ASN 21 HD22 ASN 21 -14.444 -7.280 -9.586 150 H SER 22 H SER 22 -13.653 -9.866 -4.077 151 HA SER 22 HA SER 22 -12.912 -12.734 -3.627 152 HB2 SER 22 HB2 SER 22 -13.094 -10.535 -1.526 153 HB3 SER 22 HB3 SER 22 -12.894 -12.265 -1.197 154 HG SER 22 HG SER 22 -10.856 -11.124 -1.263 155 H1 PHE 1 H1 PHE 1 8.891 -12.867 -8.541 156 H2 PHE 1 H2 PHE 1 9.506 -11.553 -7.773 157 H3 PHE 1 H3 PHE 1 10.127 -12.026 -9.209 158 HA PHE 1 HA PHE 1 8.100 -11.496 -10.362 159 HB2 PHE 1 HB2 PHE 1 6.730 -11.948 -8.193 160 HB3 PHE 1 HB3 PHE 1 7.093 -10.290 -7.762 161 HD1 PHE 1 HD1 PHE 1 6.091 -8.412 -9.124 162 HD2 PHE 1 HD2 PHE 1 5.193 -12.546 -9.950 163 HE1 PHE 1 HE1 PHE 1 4.072 -7.723 -10.392 164 HE2 PHE 1 HE2 PHE 1 3.170 -11.854 -11.210 165 HZ PHE 1 HZ PHE 1 2.587 -9.442 -11.393 166 H VAL 2 H VAL 2 7.721 -9.409 -11.249 167 HA VAL 2 HA VAL 2 10.153 -7.778 -10.954 168 HB VAL 2 HB VAL 2 7.909 -7.593 -12.999 169 HG11 VAL 2 HG11 VAL 2 9.195 -5.501 -12.844 170 HG12 VAL 2 HG12 VAL 2 10.721 -6.418 -12.964 171 HG13 VAL 2 HG13 VAL 2 9.587 -6.357 -14.335 172 HG21 VAL 2 HG21 VAL 2 10.639 -8.957 -13.156 173 HG22 VAL 2 HG22 VAL 2 9.061 -9.777 -13.180 174 HG23 VAL 2 HG23 VAL 2 9.521 -8.730 -14.516 175 H LYS 3 H LYS 3 10.264 -5.968 -9.785 176 HA LYS 3 HA LYS 3 7.862 -4.431 -9.000 177 HB2 LYS 3 HB2 LYS 3 10.819 -3.947 -8.466 178 HB3 LYS 3 HB3 LYS 3 9.480 -2.999 -7.810 179 HG2 LYS 3 HG2 LYS 3 8.594 -5.028 -6.675 180 HG3 LYS 3 HG3 LYS 3 9.954 -5.974 -7.283 181 HD2 LYS 3 HD2 LYS 3 10.171 -3.563 -5.446 182 HD3 LYS 3 HD3 LYS 3 10.240 -5.268 -4.944 183 HE2 LYS 3 HE2 LYS 3 12.248 -5.606 -6.370 184 HE3 LYS 3 HE3 LYS 3 12.211 -3.896 -6.822 185 HZ1 LYS 3 HZ1 LYS 3 12.575 -4.920 -4.055 186 HZ2 LYS 3 HZ2 LYS 3 12.528 -3.336 -4.460 187 HZ3 LYS 3 HZ3 LYS 3 13.748 -4.273 -4.989 188 H GLN 4 H GLN 4 7.040 -2.876 -10.249 189 HA GLN 4 HA GLN 4 8.732 -1.335 -12.149 190 HB2 GLN 4 HB2 GLN 4 7.172 -1.987 -14.040 191 HB3 GLN 4 HB3 GLN 4 8.340 -3.203 -13.505 192 HG2 GLN 4 HG2 GLN 4 6.561 -4.371 -12.227 193 HG3 GLN 4 HG3 GLN 4 5.402 -3.144 -12.710 194 HE21 GLN 4 HE21 GLN 4 4.433 -5.429 -13.380 195 HE22 GLN 4 HE22 GLN 4 4.758 -5.864 -15.054 196 H HIS 5 H HIS 5 7.742 0.374 -13.232 197 HA HIS 5 HA HIS 5 5.539 1.684 -11.780 198 HB2 HIS 5 HB2 HIS 5 6.224 3.612 -13.304 199 HB3 HIS 5 HB3 HIS 5 7.327 3.144 -12.018 200 HD1 HIS 5 HD1 HIS 5 9.777 2.912 -12.726 201 HD2 HIS 5 HD2 HIS 5 7.032 2.361 -15.866 202 HE1 HIS 5 HE1 HIS 5 11.165 2.565 -14.841 203 H LEU 6 H LEU 6 3.542 1.935 -12.571 204 HA LEU 6 HA LEU 6 2.895 1.376 -15.420 205 HB2 LEU 6 HB2 LEU 6 1.591 -0.159 -13.152 206 HB3 LEU 6 HB3 LEU 6 1.397 -0.389 -14.870 207 HG LEU 6 HG LEU 6 4.007 -0.948 -13.504 208 HD11 LEU 6 HD11 LEU 6 3.293 -3.281 -13.474 209 HD12 LEU 6 HD12 LEU 6 1.675 -2.780 -13.966 210 HD13 LEU 6 HD13 LEU 6 2.341 -2.241 -12.412 211 HD21 LEU 6 HD21 LEU 6 4.560 -2.305 -15.369 212 HD22 LEU 6 HD22 LEU 6 3.976 -0.809 -16.088 213 HD23 LEU 6 HD23 LEU 6 2.916 -2.242 -16.019 214 H CYS 7 H CYS 7 1.211 2.466 -16.103 215 HA CYS 7 HA CYS 7 -0.647 3.868 -14.209 216 HB2 CYS 7 HB2 CYS 7 0.395 4.763 -16.912 217 HB3 CYS 7 HB3 CYS 7 -0.651 5.681 -15.837 218 H GLY 8 H GLY 8 -2.796 3.302 -14.544 219 HA2 GLY 8 HA2 GLY 8 -4.736 2.553 -15.553 220 HA3 GLY 8 HA3 GLY 8 -4.095 3.266 -17.029 221 H SER 9 H SER 9 -3.820 1.889 -18.703 222 HA SER 9 HA SER 9 -4.469 -0.840 -18.706 223 HB2 SER 9 HB2 SER 9 -2.598 0.677 -20.589 224 HB3 SER 9 HB3 SER 9 -3.455 -0.840 -20.966 225 HG SER 9 HG SER 9 -4.570 1.000 -21.787 226 H HIS 10 H HIS 10 -1.183 0.607 -18.341 227 HA HIS 10 HA HIS 10 0.235 -1.946 -18.424 228 HB2 HIS 10 HB2 HIS 10 0.912 0.708 -17.093 229 HB3 HIS 10 HB3 HIS 10 2.028 -0.630 -17.235 230 HD1 HIS 10 HD1 HIS 10 2.755 -1.167 -19.967 231 HD2 HIS 10 HD2 HIS 10 0.674 2.343 -18.996 232 HE1 HIS 10 HE1 HIS 10 3.028 0.387 -21.971 233 H LEU 11 H LEU 11 -1.385 -0.057 -15.921 234 HA LEU 11 HA LEU 11 -0.244 -1.468 -13.671 235 HB2 LEU 11 HB2 LEU 11 -1.398 0.942 -13.982 236 HB3 LEU 11 HB3 LEU 11 -2.852 0.038 -13.577 237 HG LEU 11 HG LEU 11 -0.365 0.517 -11.888 238 HD11 LEU 11 HD11 LEU 11 -1.939 2.301 -11.828 239 HD12 LEU 11 HD12 LEU 11 -2.201 1.353 -10.338 240 HD13 LEU 11 HD13 LEU 11 -3.323 1.197 -11.708 241 HD21 LEU 11 HD21 LEU 11 -0.816 -1.709 -11.407 242 HD22 LEU 11 HD22 LEU 11 -2.585 -1.457 -11.423 243 HD23 LEU 11 HD23 LEU 11 -1.578 -0.799 -10.098 244 H VAL 12 H VAL 12 -3.302 -1.601 -15.483 245 HA VAL 12 HA VAL 12 -4.411 -3.963 -14.265 246 HB VAL 12 HB VAL 12 -4.765 -2.799 -17.052 247 HG11 VAL 12 HG11 VAL 12 -6.188 -5.158 -15.774 248 HG12 VAL 12 HG12 VAL 12 -6.818 -4.253 -17.173 249 HG13 VAL 12 HG13 VAL 12 -5.296 -5.135 -17.308 250 HG21 VAL 12 HG21 VAL 12 -5.667 -1.447 -15.179 251 HG22 VAL 12 HG22 VAL 12 -6.967 -2.118 -16.160 252 HG23 VAL 12 HG23 VAL 12 -6.570 -2.860 -14.595 253 H GLU 13 H GLU 13 -1.783 -3.573 -16.730 254 HA GLU 13 HA GLU 13 -1.846 -6.350 -17.515 255 HB2 GLU 13 HB2 GLU 13 -0.745 -4.394 -18.743 256 HB3 GLU 13 HB3 GLU 13 0.607 -4.583 -17.617 257 HG2 GLU 13 HG2 GLU 13 0.969 -6.881 -18.373 258 HG3 GLU 13 HG3 GLU 13 -0.479 -6.811 -19.381 259 H ALA 14 H ALA 14 -0.587 -4.730 -14.656 260 HA ALA 14 HA ALA 14 0.782 -7.221 -13.730 261 HB1 ALA 14 HB1 ALA 14 1.861 -5.125 -13.189 262 HB2 ALA 14 HB2 ALA 14 0.377 -4.495 -12.461 263 HB3 ALA 14 HB3 ALA 14 1.216 -5.901 -11.712 264 H LEU 15 H LEU 15 -2.033 -5.176 -12.787 265 HA LEU 15 HA LEU 15 -3.154 -6.653 -10.799 266 HB2 LEU 15 HB2 LEU 15 -3.775 -4.448 -12.221 267 HB3 LEU 15 HB3 LEU 15 -4.881 -5.568 -13.036 268 HG LEU 15 HG LEU 15 -4.767 -4.826 -10.134 269 HD11 LEU 15 HD11 LEU 15 -6.733 -4.325 -12.384 270 HD12 LEU 15 HD12 LEU 15 -5.750 -3.118 -11.555 271 HD13 LEU 15 HD13 LEU 15 -7.060 -3.922 -10.680 272 HD21 LEU 15 HD21 LEU 15 -6.402 -6.915 -11.527 273 HD22 LEU 15 HD22 LEU 15 -6.837 -6.202 -9.944 274 HD23 LEU 15 HD23 LEU 15 -5.327 -7.058 -10.111 275 H TYR 16 H TYR 16 -3.750 -7.103 -14.245 276 HA TYR 16 HA TYR 16 -5.613 -9.263 -14.176 277 HB2 TYR 16 HB2 TYR 16 -5.054 -7.538 -15.974 278 HB3 TYR 16 HB3 TYR 16 -3.639 -8.502 -16.378 279 HD1 TYR 16 HD1 TYR 16 -4.506 -11.228 -16.722 280 HD2 TYR 16 HD2 TYR 16 -6.631 -7.552 -17.549 281 HE1 TYR 16 HE1 TYR 16 -5.995 -12.460 -18.238 282 HE2 TYR 16 HE2 TYR 16 -8.101 -8.792 -19.145 283 HH TYR 16 HH TYR 16 -7.769 -12.329 -19.704 284 H LEU 17 H LEU 17 -2.104 -9.212 -13.942 285 HA LEU 17 HA LEU 17 -1.762 -12.084 -14.545 286 HB2 LEU 17 HB2 LEU 17 -0.143 -10.312 -15.256 287 HB3 LEU 17 HB3 LEU 17 0.112 -9.848 -13.606 288 HG LEU 17 HG LEU 17 1.061 -11.936 -12.957 289 HD11 LEU 17 HD11 LEU 17 0.008 -13.526 -14.519 290 HD12 LEU 17 HD12 LEU 17 1.760 -13.614 -14.681 291 HD13 LEU 17 HD13 LEU 17 0.805 -12.731 -15.895 292 HD21 LEU 17 HD21 LEU 17 2.380 -10.787 -15.451 293 HD22 LEU 17 HD22 LEU 17 3.191 -11.715 -14.172 294 HD23 LEU 17 HD23 LEU 17 2.509 -10.122 -13.812 295 H VAL 18 H VAL 18 -1.589 -9.776 -11.907 296 HA VAL 18 HA VAL 18 -0.789 -11.472 -9.761 297 HB VAL 18 HB VAL 18 -2.078 -8.693 -9.969 298 HG11 VAL 18 HG11 VAL 18 -2.797 -9.431 -7.844 299 HG12 VAL 18 HG12 VAL 18 -1.290 -10.324 -7.528 300 HG13 VAL 18 HG13 VAL 18 -1.286 -8.561 -7.524 301 HG21 VAL 18 HG21 VAL 18 0.713 -9.768 -9.277 302 HG22 VAL 18 HG22 VAL 18 0.288 -9.007 -10.773 303 HG23 VAL 18 HG23 VAL 18 0.268 -8.054 -9.305 304 H CYS 19 H CYS 19 -3.970 -10.570 -11.039 305 HA CYS 19 HA CYS 19 -5.360 -12.160 -8.949 306 HB2 CYS 19 HB2 CYS 19 -6.326 -10.593 -11.336 307 HB3 CYS 19 HB3 CYS 19 -7.377 -11.376 -10.128 308 H GLY 20 H GLY 20 -4.168 -12.343 -12.184 309 HA2 GLY 20 HA2 GLY 20 -3.848 -13.991 -13.713 310 HA3 GLY 20 HA3 GLY 20 -4.373 -15.172 -12.501 311 H GLU 21 H GLU 21 -6.749 -14.731 -12.014 312 HA GLU 21 HA GLU 21 -8.572 -14.638 -14.363 313 HB2 GLU 21 HB2 GLU 21 -8.059 -17.212 -12.805 314 HB3 GLU 21 HB3 GLU 21 -9.419 -16.961 -13.906 315 HG2 GLU 21 HG2 GLU 21 -7.767 -16.540 -15.773 316 HG3 GLU 21 HG3 GLU 21 -6.481 -17.032 -14.668 317 H ARG 22 H ARG 22 -8.074 -14.310 -10.983 318 HA ARG 22 HA ARG 22 -10.650 -15.061 -9.977 319 HB2 ARG 22 HB2 ARG 22 -8.375 -13.380 -8.834 320 HB3 ARG 22 HB3 ARG 22 -9.795 -13.862 -7.901 321 HG2 ARG 22 HG2 ARG 22 -9.311 -16.222 -8.215 322 HG3 ARG 22 HG3 ARG 22 -7.923 -15.876 -9.246 323 HD2 ARG 22 HD2 ARG 22 -8.158 -14.906 -6.375 324 HD3 ARG 22 HD3 ARG 22 -7.430 -16.454 -6.822 325 HE ARG 22 HE ARG 22 -6.076 -14.623 -8.406 326 HH11 ARG 22 HH11 ARG 22 -6.469 -14.978 -4.893 327 HH12 ARG 22 HH12 ARG 22 -4.884 -14.245 -4.623 328 HH21 ARG 22 HH21 ARG 22 -4.012 -13.659 -7.775 329 HH22 ARG 22 HH22 ARG 22 -3.692 -13.634 -6.056 330 H GLY 23 H GLY 23 -9.899 -12.292 -11.730 331 HA2 GLY 23 HA2 GLY 23 -11.243 -10.477 -12.313 332 HA3 GLY 23 HA3 GLY 23 -12.450 -10.974 -11.129 333 H PHE 24 H PHE 24 -11.864 -8.377 -11.403 334 HA PHE 24 HA PHE 24 -10.748 -7.349 -8.916 335 HB2 PHE 24 HB2 PHE 24 -8.970 -6.071 -10.078 336 HB3 PHE 24 HB3 PHE 24 -8.670 -7.782 -9.975 337 HD1 PHE 24 HD1 PHE 24 -8.771 -9.258 -11.997 338 HD2 PHE 24 HD2 PHE 24 -8.959 -4.963 -12.188 339 HE1 PHE 24 HE1 PHE 24 -8.170 -9.347 -14.397 340 HE2 PHE 24 HE2 PHE 24 -8.188 -5.038 -14.573 341 HZ PHE 24 HZ PHE 24 -7.871 -7.239 -15.678 342 H PHE 25 H PHE 25 -10.624 -4.934 -8.959 343 HA PHE 25 HA PHE 25 -12.426 -3.590 -10.929 344 HB2 PHE 25 HB2 PHE 25 -13.685 -4.178 -8.871 345 HB3 PHE 25 HB3 PHE 25 -12.513 -3.330 -7.891 346 HD1 PHE 25 HD1 PHE 25 -15.032 -2.861 -10.622 347 HD2 PHE 25 HD2 PHE 25 -12.763 -0.985 -7.468 348 HE1 PHE 25 HE1 PHE 25 -16.436 -0.818 -10.820 349 HE2 PHE 25 HE2 PHE 25 -14.178 1.044 -7.659 350 HZ PHE 25 HZ PHE 25 -16.024 1.128 -9.330 351 H TYR 26 H TYR 26 -10.867 -2.527 -11.995 352 HA TYR 26 HA TYR 26 -8.439 -1.562 -10.756 353 HB2 TYR 26 HB2 TYR 26 -7.853 -1.025 -13.151 354 HB3 TYR 26 HB3 TYR 26 -8.249 -2.689 -12.802 355 HD1 TYR 26 HD1 TYR 26 -10.145 -3.793 -13.692 356 HD2 TYR 26 HD2 TYR 26 -9.531 0.398 -14.432 357 HE1 TYR 26 HE1 TYR 26 -12.058 -3.809 -15.290 358 HE2 TYR 26 HE2 TYR 26 -11.388 0.380 -16.098 359 HH TYR 26 HH TYR 26 -13.022 -0.868 -17.120 360 H THR 27 H THR 27 -11.362 0.002 -10.840 361 HA THR 27 HA THR 27 -10.845 2.541 -11.880 362 HB THR 27 HB THR 27 -12.572 1.885 -9.478 363 HG1 THR 27 HG1 THR 27 -14.125 1.425 -10.986 364 HG21 THR 27 HG21 THR 27 -12.794 4.089 -11.584 365 HG22 THR 27 HG22 THR 27 -12.417 4.318 -9.859 366 HG23 THR 27 HG23 THR 27 -14.010 3.731 -10.334 367 HA PRO 28 HA PRO 28 -7.707 4.046 -9.159 368 HB2 PRO 28 HB2 PRO 28 -8.802 6.811 -9.686 369 HB3 PRO 28 HB3 PRO 28 -7.116 6.225 -9.775 370 HG2 PRO 28 HG2 PRO 28 -8.563 6.554 -12.041 371 HG3 PRO 28 HG3 PRO 28 -7.554 5.083 -11.840 372 HD2 PRO 28 HD2 PRO 28 -10.532 5.381 -11.407 373 HD3 PRO 28 HD3 PRO 28 -9.617 4.100 -12.263 374 H LYS 29 H LYS 29 -10.991 5.081 -8.437 375 HA LYS 29 HA LYS 29 -10.420 5.117 -5.547 376 HB2 LYS 29 HB2 LYS 29 -11.471 7.323 -5.201 377 HB3 LYS 29 HB3 LYS 29 -9.972 7.381 -6.090 378 HG2 LYS 29 HG2 LYS 29 -11.362 8.978 -7.087 379 HG3 LYS 29 HG3 LYS 29 -11.255 7.659 -8.231 380 HD2 LYS 29 HD2 LYS 29 -13.508 8.604 -8.152 381 HD3 LYS 29 HD3 LYS 29 -13.523 6.925 -7.662 382 HE2 LYS 29 HE2 LYS 29 -15.012 8.131 -6.215 383 HE3 LYS 29 HE3 LYS 29 -13.615 7.648 -5.254 384 HZ1 LYS 29 HZ1 LYS 29 -12.750 9.923 -5.494 385 HZ2 LYS 29 HZ2 LYS 29 -14.246 9.962 -4.842 386 HZ3 LYS 29 HZ3 LYS 29 -14.032 10.357 -6.414 387 H THR 30 H THR 30 -12.381 5.377 -4.241 388 HA THR 30 HA THR 30 -14.836 4.190 -5.460 389 HB THR 30 HB THR 30 -15.112 2.882 -3.343 390 HG1 THR 30 HG1 THR 30 -13.260 2.566 -2.091 391 HG21 THR 30 HG21 THR 30 -13.562 1.098 -3.905 392 HG22 THR 30 HG22 THR 30 -12.575 2.207 -4.885 393 HG23 THR 30 HG23 THR 30 -14.230 1.796 -5.388 394 H ARG 31 H ARG 31 -16.785 4.457 -4.128 395 HA ARG 31 HA ARG 31 -16.811 6.680 -2.191 396 HB2 ARG 31 HB2 ARG 31 -18.537 7.911 -3.334 397 HB3 ARG 31 HB3 ARG 31 -17.116 7.784 -4.364 398 HG2 ARG 31 HG2 ARG 31 -18.226 5.949 -5.652 399 HG3 ARG 31 HG3 ARG 31 -19.670 6.130 -4.634 400 HD2 ARG 31 HD2 ARG 31 -18.468 8.318 -6.384 401 HD3 ARG 31 HD3 ARG 31 -19.822 7.270 -6.848 402 HE ARG 31 HE ARG 31 -20.545 8.441 -4.398 403 HH11 ARG 31 HH11 ARG 31 -19.945 9.567 -7.661 404 HH12 ARG 31 HH12 ARG 31 -21.005 10.943 -7.479 405 HH21 ARG 31 HH21 ARG 31 -21.877 10.217 -4.241 406 HH22 ARG 31 HH22 ARG 31 -22.056 11.293 -5.591 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -7.099 5.988 -3.648 2 H2 GLY 1 H2 GLY 1 -5.561 6.492 -3.940 3 H3 GLY 1 H3 GLY 1 -5.835 5.177 -3.012 4 HA2 GLY 1 HA2 GLY 1 -6.773 3.977 -4.884 5 HA3 GLY 1 HA3 GLY 1 -6.404 5.389 -5.896 6 H ILE 2 H ILE 2 -5.398 2.571 -6.079 7 HA ILE 2 HA ILE 2 -2.700 2.507 -4.970 8 HB ILE 2 HB ILE 2 -3.901 0.482 -4.990 9 HG12 ILE 2 HG12 ILE 2 -2.002 0.246 -7.341 10 HG13 ILE 2 HG13 ILE 2 -1.436 0.429 -5.666 11 HG21 ILE 2 HG21 ILE 2 -5.578 0.953 -6.728 12 HG22 ILE 2 HG22 ILE 2 -4.316 0.923 -7.983 13 HG23 ILE 2 HG23 ILE 2 -4.758 -0.548 -7.039 14 HD11 ILE 2 HD11 ILE 2 -2.968 -1.948 -6.818 15 HD12 ILE 2 HD12 ILE 2 -1.266 -1.858 -6.305 16 HD13 ILE 2 HD13 ILE 2 -2.567 -1.725 -5.095 17 H VAL 3 H VAL 3 -4.030 2.964 -8.245 18 HA VAL 3 HA VAL 3 -1.975 3.423 -9.911 19 HB VAL 3 HB VAL 3 -4.125 5.523 -9.423 20 HG11 VAL 3 HG11 VAL 3 -2.802 4.548 -11.999 21 HG12 VAL 3 HG12 VAL 3 -4.070 5.784 -11.880 22 HG13 VAL 3 HG13 VAL 3 -2.481 6.094 -11.184 23 HG21 VAL 3 HG21 VAL 3 -4.504 2.908 -10.934 24 HG22 VAL 3 HG22 VAL 3 -5.347 3.408 -9.450 25 HG23 VAL 3 HG23 VAL 3 -5.613 4.278 -10.955 26 H GLU 4 H GLU 4 -2.789 5.629 -7.215 27 HA GLU 4 HA GLU 4 -0.971 7.647 -8.067 28 HB2 GLU 4 HB2 GLU 4 -2.838 8.036 -6.494 29 HB3 GLU 4 HB3 GLU 4 -2.016 7.060 -5.262 30 HG2 GLU 4 HG2 GLU 4 -0.176 8.664 -5.166 31 HG3 GLU 4 HG3 GLU 4 -0.855 9.576 -6.518 32 H GLN 5 H GLN 5 -0.506 4.722 -6.193 33 HA GLN 5 HA GLN 5 2.292 5.290 -5.492 34 HB2 GLN 5 HB2 GLN 5 0.549 3.853 -4.174 35 HB3 GLN 5 HB3 GLN 5 0.851 2.606 -5.347 36 HG2 GLN 5 HG2 GLN 5 2.259 2.142 -3.481 37 HG3 GLN 5 HG3 GLN 5 3.299 2.664 -4.792 38 HE21 GLN 5 HE21 GLN 5 4.466 4.727 -4.543 39 HE22 GLN 5 HE22 GLN 5 4.470 5.544 -2.995 40 H CYS 6 H CYS 6 0.542 2.998 -7.583 41 HA CYS 6 HA CYS 6 2.946 1.806 -8.642 42 HB2 CYS 6 HB2 CYS 6 0.117 1.552 -9.651 43 HB3 CYS 6 HB3 CYS 6 1.479 0.506 -10.048 44 H CYS 7 H CYS 7 1.044 4.522 -9.934 45 HA CYS 7 HA CYS 7 2.453 4.249 -12.508 46 HB2 CYS 7 HB2 CYS 7 0.100 4.896 -12.461 47 HB3 CYS 7 HB3 CYS 7 0.433 6.285 -11.479 48 H THR 8 H THR 8 2.700 6.228 -9.552 49 HA THR 8 HA THR 8 4.789 7.967 -10.700 50 HB THR 8 HB THR 8 4.876 9.045 -8.567 51 HG1 THR 8 HG1 THR 8 2.896 7.575 -7.353 52 HG21 THR 8 HG21 THR 8 1.975 8.404 -9.243 53 HG22 THR 8 HG22 THR 8 2.991 9.648 -10.005 54 HG23 THR 8 HG23 THR 8 2.569 9.785 -8.281 55 H SER 9 H SER 9 4.589 5.156 -8.568 56 HA SER 9 HA SER 9 7.556 4.960 -8.482 57 HB2 SER 9 HB2 SER 9 5.848 4.038 -6.178 58 HB3 SER 9 HB3 SER 9 7.560 4.426 -6.217 59 HG SER 9 HG SER 9 5.504 6.369 -6.569 60 H ILE 10 H ILE 10 7.946 2.572 -7.391 61 HA ILE 10 HA ILE 10 6.859 0.724 -9.369 62 HB ILE 10 HB ILE 10 8.456 -0.893 -8.335 63 HG12 ILE 10 HG12 ILE 10 9.330 1.540 -6.682 64 HG13 ILE 10 HG13 ILE 10 8.520 0.111 -6.045 65 HG21 ILE 10 HG21 ILE 10 10.342 0.153 -9.439 66 HG22 ILE 10 HG22 ILE 10 8.875 0.616 -10.307 67 HG23 ILE 10 HG23 ILE 10 9.647 1.772 -9.213 68 HD11 ILE 10 HD11 ILE 10 10.868 0.010 -5.573 69 HD12 ILE 10 HD12 ILE 10 10.478 -1.265 -6.745 70 HD13 ILE 10 HD13 ILE 10 11.289 0.235 -7.278 71 H CYS 11 H CYS 11 5.722 -1.074 -9.140 72 HA CYS 11 HA CYS 11 4.664 -1.903 -6.482 73 HB2 CYS 11 HB2 CYS 11 3.101 -1.293 -8.989 74 HB3 CYS 11 HB3 CYS 11 2.498 -2.412 -7.773 75 H SER 12 H SER 12 3.569 -4.029 -6.671 76 HA SER 12 HA SER 12 4.658 -6.075 -8.444 77 HB2 SER 12 HB2 SER 12 6.512 -5.690 -6.840 78 HB3 SER 12 HB3 SER 12 5.400 -5.911 -5.483 79 HG SER 12 HG SER 12 6.622 -7.809 -6.017 80 H LEU 13 H LEU 13 3.724 -8.371 -7.286 81 HA LEU 13 HA LEU 13 0.923 -8.007 -7.120 82 HB2 LEU 13 HB2 LEU 13 0.838 -10.321 -6.997 83 HB3 LEU 13 HB3 LEU 13 2.277 -9.984 -7.980 84 HG LEU 13 HG LEU 13 2.311 -10.751 -5.092 85 HD11 LEU 13 HD11 LEU 13 1.435 -12.566 -6.546 86 HD12 LEU 13 HD12 LEU 13 3.028 -12.978 -5.898 87 HD13 LEU 13 HD13 LEU 13 2.879 -12.420 -7.577 88 HD21 LEU 13 HD21 LEU 13 4.543 -10.485 -7.088 89 HD22 LEU 13 HD22 LEU 13 4.698 -11.331 -5.537 90 HD23 LEU 13 HD23 LEU 13 4.350 -9.611 -5.556 91 H TYR 14 H TYR 14 3.371 -7.833 -4.706 92 HA TYR 14 HA TYR 14 1.811 -8.141 -2.341 93 HB2 TYR 14 HB2 TYR 14 4.474 -7.599 -2.996 94 HB3 TYR 14 HB3 TYR 14 3.949 -6.086 -2.280 95 HD1 TYR 14 HD1 TYR 14 3.560 -5.950 0.134 96 HD2 TYR 14 HD2 TYR 14 4.273 -9.747 -1.788 97 HE1 TYR 14 HE1 TYR 14 3.847 -7.021 2.368 98 HE2 TYR 14 HE2 TYR 14 4.554 -10.822 0.462 99 HH TYR 14 HH TYR 14 4.280 -8.956 3.513 100 H GLN 15 H GLN 15 1.764 -5.529 -4.724 101 HA GLN 15 HA GLN 15 0.025 -3.880 -2.952 102 HB2 GLN 15 HB2 GLN 15 1.364 -3.252 -5.599 103 HB3 GLN 15 HB3 GLN 15 0.551 -2.107 -4.531 104 HG2 GLN 15 HG2 GLN 15 3.062 -3.685 -3.693 105 HG3 GLN 15 HG3 GLN 15 3.095 -2.184 -4.521 106 HE21 GLN 15 HE21 GLN 15 1.759 -3.730 -1.506 107 HE22 GLN 15 HE22 GLN 15 1.880 -2.250 -0.565 108 H LEU 16 H LEU 16 0.215 -5.287 -6.255 109 HA LEU 16 HA LEU 16 -2.377 -4.417 -7.104 110 HB2 LEU 16 HB2 LEU 16 -0.439 -6.526 -8.028 111 HB3 LEU 16 HB3 LEU 16 -1.999 -6.271 -8.824 112 HG LEU 16 HG LEU 16 0.007 -5.317 -9.909 113 HD11 LEU 16 HD11 LEU 16 -1.932 -3.108 -9.282 114 HD12 LEU 16 HD12 LEU 16 -2.541 -4.564 -10.070 115 HD13 LEU 16 HD13 LEU 16 -1.268 -3.639 -10.851 116 HD21 LEU 16 HD21 LEU 16 0.693 -3.032 -9.273 117 HD22 LEU 16 HD22 LEU 16 1.185 -4.255 -8.099 118 HD23 LEU 16 HD23 LEU 16 -0.214 -3.209 -7.753 119 H GLU 17 H GLU 17 -1.511 -7.400 -5.290 120 HA GLU 17 HA GLU 17 -3.947 -8.724 -6.073 121 HB2 GLU 17 HB2 GLU 17 -1.683 -9.684 -5.164 122 HB3 GLU 17 HB3 GLU 17 -2.470 -9.515 -3.586 123 HG2 GLU 17 HG2 GLU 17 -4.399 -10.882 -4.607 124 HG3 GLU 17 HG3 GLU 17 -3.385 -11.079 -6.040 125 H ASN 18 H ASN 18 -3.549 -6.107 -4.169 126 HA ASN 18 HA ASN 18 -5.842 -6.471 -2.350 127 HB2 ASN 18 HB2 ASN 18 -4.266 -4.006 -3.223 128 HB3 ASN 18 HB3 ASN 18 -5.590 -3.957 -2.092 129 HD21 ASN 18 HD21 ASN 18 -2.245 -4.617 -2.466 130 HD22 ASN 18 HD22 ASN 18 -1.929 -5.114 -0.800 131 H TYR 19 H TYR 19 -5.462 -5.754 -5.784 132 HA TYR 19 HA TYR 19 -7.976 -4.156 -5.905 133 HB2 TYR 19 HB2 TYR 19 -6.035 -5.337 -7.891 134 HB3 TYR 19 HB3 TYR 19 -7.607 -4.757 -8.394 135 HD1 TYR 19 HD1 TYR 19 -4.311 -3.939 -8.170 136 HD2 TYR 19 HD2 TYR 19 -8.228 -2.300 -7.635 137 HE1 TYR 19 HE1 TYR 19 -3.700 -2.111 -9.669 138 HE2 TYR 19 HE2 TYR 19 -7.526 -0.221 -8.897 139 HH TYR 19 HH TYR 19 -4.424 -0.137 -10.690 140 H CYS 20 H CYS 20 -6.918 -7.521 -6.404 141 HA CYS 20 HA CYS 20 -8.907 -8.387 -7.982 142 HB2 CYS 20 HB2 CYS 20 -7.872 -10.108 -5.738 143 HB3 CYS 20 HB3 CYS 20 -8.457 -10.604 -7.356 144 H ASN 21 H ASN 21 -10.983 -9.213 -7.835 145 HA ASN 21 HA ASN 21 -12.496 -8.309 -5.544 146 HB2 ASN 21 HB2 ASN 21 -13.221 -7.803 -7.833 147 HB3 ASN 21 HB3 ASN 21 -13.139 -9.509 -8.276 148 HD21 ASN 21 HD21 ASN 21 -15.307 -9.099 -9.069 149 HD22 ASN 21 HD22 ASN 21 -16.629 -9.249 -7.924 150 H SER 22 H SER 22 -12.685 -9.634 -3.808 151 HA SER 22 HA SER 22 -12.774 -12.612 -4.121 152 HB2 SER 22 HB2 SER 22 -11.090 -11.172 -2.049 153 HB3 SER 22 HB3 SER 22 -11.121 -12.900 -2.424 154 HG SER 22 HG SER 22 -10.089 -10.728 -3.936 155 H1 PHE 1 H1 PHE 1 10.043 -11.270 -7.747 156 H2 PHE 1 H2 PHE 1 10.577 -11.826 -9.181 157 H3 PHE 1 H3 PHE 1 9.459 -12.686 -8.343 158 HA PHE 1 HA PHE 1 8.425 -11.526 -10.197 159 HB2 PHE 1 HB2 PHE 1 7.274 -11.861 -7.867 160 HB3 PHE 1 HB3 PHE 1 7.545 -10.149 -7.633 161 HD1 PHE 1 HD1 PHE 1 6.291 -8.481 -9.009 162 HD2 PHE 1 HD2 PHE 1 5.664 -12.733 -9.445 163 HE1 PHE 1 HE1 PHE 1 4.078 -8.056 -10.053 164 HE2 PHE 1 HE2 PHE 1 3.458 -12.298 -10.486 165 HZ PHE 1 HZ PHE 1 2.638 -9.973 -10.718 166 H VAL 2 H VAL 2 7.844 -9.567 -11.216 167 HA VAL 2 HA VAL 2 10.176 -7.788 -11.319 168 HB VAL 2 HB VAL 2 7.667 -7.807 -13.026 169 HG11 VAL 2 HG11 VAL 2 10.409 -6.546 -13.457 170 HG12 VAL 2 HG12 VAL 2 9.091 -6.595 -14.648 171 HG13 VAL 2 HG13 VAL 2 8.888 -5.666 -13.155 172 HG21 VAL 2 HG21 VAL 2 8.856 -9.956 -13.273 173 HG22 VAL 2 HG22 VAL 2 9.113 -8.960 -14.706 174 HG23 VAL 2 HG23 VAL 2 10.399 -9.100 -13.491 175 H LYS 3 H LYS 3 10.338 -6.013 -10.134 176 HA LYS 3 HA LYS 3 7.996 -4.468 -9.203 177 HB2 LYS 3 HB2 LYS 3 10.981 -4.042 -8.802 178 HB3 LYS 3 HB3 LYS 3 9.690 -3.087 -8.057 179 HG2 LYS 3 HG2 LYS 3 8.827 -5.096 -6.913 180 HG3 LYS 3 HG3 LYS 3 10.115 -6.083 -7.617 181 HD2 LYS 3 HD2 LYS 3 10.547 -3.714 -5.760 182 HD3 LYS 3 HD3 LYS 3 10.552 -5.424 -5.280 183 HE2 LYS 3 HE2 LYS 3 12.454 -5.844 -6.832 184 HE3 LYS 3 HE3 LYS 3 12.486 -4.130 -7.256 185 HZ1 LYS 3 HZ1 LYS 3 12.963 -5.210 -4.527 186 HZ2 LYS 3 HZ2 LYS 3 12.982 -3.623 -4.922 187 HZ3 LYS 3 HZ3 LYS 3 14.110 -4.629 -5.534 188 H GLN 4 H GLN 4 7.132 -2.884 -10.370 189 HA GLN 4 HA GLN 4 8.721 -1.277 -12.295 190 HB2 GLN 4 HB2 GLN 4 7.094 -1.909 -14.133 191 HB3 GLN 4 HB3 GLN 4 8.293 -3.126 -13.691 192 HG2 GLN 4 HG2 GLN 4 6.581 -4.359 -12.372 193 HG3 GLN 4 HG3 GLN 4 5.394 -3.120 -12.759 194 HE21 GLN 4 HE21 GLN 4 4.370 -5.346 -13.474 195 HE22 GLN 4 HE22 GLN 4 4.626 -5.735 -15.170 196 H HIS 5 H HIS 5 7.684 0.527 -13.164 197 HA HIS 5 HA HIS 5 5.317 1.505 -11.685 198 HB2 HIS 5 HB2 HIS 5 5.912 3.696 -12.731 199 HB3 HIS 5 HB3 HIS 5 7.045 3.057 -11.547 200 HD1 HIS 5 HD1 HIS 5 9.487 3.409 -12.285 201 HD2 HIS 5 HD2 HIS 5 6.810 2.818 -15.474 202 HE1 HIS 5 HE1 HIS 5 10.880 3.542 -14.420 203 H LEU 6 H LEU 6 3.440 1.994 -12.638 204 HA LEU 6 HA LEU 6 2.910 1.474 -15.521 205 HB2 LEU 6 HB2 LEU 6 1.538 -0.023 -13.247 206 HB3 LEU 6 HB3 LEU 6 1.355 -0.297 -14.952 207 HG LEU 6 HG LEU 6 3.945 -0.851 -13.534 208 HD11 LEU 6 HD11 LEU 6 1.629 -2.699 -14.014 209 HD12 LEU 6 HD12 LEU 6 2.228 -2.101 -12.453 210 HD13 LEU 6 HD13 LEU 6 3.239 -3.152 -13.448 211 HD21 LEU 6 HD21 LEU 6 2.891 -2.165 -16.049 212 HD22 LEU 6 HD22 LEU 6 4.521 -2.209 -15.380 213 HD23 LEU 6 HD23 LEU 6 3.938 -0.719 -16.122 214 H CYS 7 H CYS 7 1.131 2.539 -16.228 215 HA CYS 7 HA CYS 7 -0.773 3.801 -14.283 216 HB2 CYS 7 HB2 CYS 7 0.904 5.107 -16.183 217 HB3 CYS 7 HB3 CYS 7 -0.725 5.141 -16.843 218 H GLY 8 H GLY 8 -2.906 3.257 -14.611 219 HA2 GLY 8 HA2 GLY 8 -4.842 2.472 -15.597 220 HA3 GLY 8 HA3 GLY 8 -4.208 3.183 -17.079 221 H SER 9 H SER 9 -3.947 1.807 -18.756 222 HA SER 9 HA SER 9 -4.527 -0.934 -18.764 223 HB2 SER 9 HB2 SER 9 -2.682 0.624 -20.635 224 HB3 SER 9 HB3 SER 9 -3.505 -0.905 -21.018 225 HG SER 9 HG SER 9 -4.634 0.950 -21.830 226 H HIS 10 H HIS 10 -1.280 0.591 -18.369 227 HA HIS 10 HA HIS 10 0.190 -1.939 -18.438 228 HB2 HIS 10 HB2 HIS 10 0.849 0.734 -17.139 229 HB3 HIS 10 HB3 HIS 10 1.978 -0.585 -17.300 230 HD1 HIS 10 HD1 HIS 10 2.637 -1.132 -20.055 231 HD2 HIS 10 HD2 HIS 10 0.541 2.364 -19.044 232 HE1 HIS 10 HE1 HIS 10 2.839 0.416 -22.075 233 H LEU 11 H LEU 11 -1.445 -0.038 -15.943 234 HA LEU 11 HA LEU 11 -0.264 -1.446 -13.707 235 HB2 LEU 11 HB2 LEU 11 -1.464 0.961 -14.014 236 HB3 LEU 11 HB3 LEU 11 -2.869 0.027 -13.513 237 HG LEU 11 HG LEU 11 -0.287 0.593 -11.987 238 HD11 LEU 11 HD11 LEU 11 -2.058 1.401 -10.334 239 HD12 LEU 11 HD12 LEU 11 -3.243 1.178 -11.626 240 HD13 LEU 11 HD13 LEU 11 -1.911 2.330 -11.853 241 HD21 LEU 11 HD21 LEU 11 -0.663 -1.654 -11.457 242 HD22 LEU 11 HD22 LEU 11 -2.428 -1.428 -11.335 243 HD23 LEU 11 HD23 LEU 11 -1.329 -0.732 -10.110 244 H VAL 12 H VAL 12 -3.325 -1.611 -15.506 245 HA VAL 12 HA VAL 12 -4.388 -3.965 -14.260 246 HB VAL 12 HB VAL 12 -4.776 -2.846 -17.066 247 HG11 VAL 12 HG11 VAL 12 -5.258 -5.194 -17.298 248 HG12 VAL 12 HG12 VAL 12 -6.144 -5.220 -15.757 249 HG13 VAL 12 HG13 VAL 12 -6.799 -4.344 -17.161 250 HG21 VAL 12 HG21 VAL 12 -5.703 -1.502 -15.190 251 HG22 VAL 12 HG22 VAL 12 -6.985 -2.205 -16.176 252 HG23 VAL 12 HG23 VAL 12 -6.579 -2.927 -14.607 253 H GLU 13 H GLU 13 -1.779 -3.575 -16.745 254 HA GLU 13 HA GLU 13 -1.807 -6.355 -17.499 255 HB2 GLU 13 HB2 GLU 13 -0.708 -4.402 -18.734 256 HB3 GLU 13 HB3 GLU 13 0.651 -4.585 -17.607 257 HG2 GLU 13 HG2 GLU 13 1.013 -6.883 -18.348 258 HG3 GLU 13 HG3 GLU 13 -0.443 -6.826 -19.347 259 H ALA 14 H ALA 14 -0.563 -4.706 -14.650 260 HA ALA 14 HA ALA 14 0.826 -7.175 -13.694 261 HB1 ALA 14 HB1 ALA 14 0.359 -4.427 -12.462 262 HB2 ALA 14 HB2 ALA 14 1.220 -5.807 -11.696 263 HB3 ALA 14 HB3 ALA 14 1.847 -5.034 -13.185 264 H LEU 15 H LEU 15 -2.026 -5.156 -12.778 265 HA LEU 15 HA LEU 15 -3.130 -6.626 -10.775 266 HB2 LEU 15 HB2 LEU 15 -3.754 -4.437 -12.240 267 HB3 LEU 15 HB3 LEU 15 -4.859 -5.575 -13.022 268 HG LEU 15 HG LEU 15 -4.747 -4.776 -10.140 269 HD11 LEU 15 HD11 LEU 15 -7.021 -3.836 -10.692 270 HD12 LEU 15 HD12 LEU 15 -6.729 -4.298 -12.389 271 HD13 LEU 15 HD13 LEU 15 -5.710 -3.084 -11.612 272 HD21 LEU 15 HD21 LEU 15 -5.321 -6.998 -10.088 273 HD22 LEU 15 HD22 LEU 15 -6.401 -6.866 -11.511 274 HD23 LEU 15 HD23 LEU 15 -6.831 -6.128 -9.945 275 H TYR 16 H TYR 16 -3.689 -7.129 -14.221 276 HA TYR 16 HA TYR 16 -5.533 -9.327 -14.131 277 HB2 TYR 16 HB2 TYR 16 -5.025 -7.579 -15.923 278 HB3 TYR 16 HB3 TYR 16 -3.568 -8.463 -16.326 279 HD1 TYR 16 HD1 TYR 16 -4.223 -11.182 -16.814 280 HD2 TYR 16 HD2 TYR 16 -6.606 -7.644 -17.492 281 HE1 TYR 16 HE1 TYR 16 -5.550 -12.416 -18.484 282 HE2 TYR 16 HE2 TYR 16 -7.962 -8.905 -19.177 283 HH TYR 16 HH TYR 16 -7.309 -12.360 -19.936 284 H LEU 17 H LEU 17 -2.054 -9.228 -13.879 285 HA LEU 17 HA LEU 17 -1.648 -12.092 -14.466 286 HB2 LEU 17 HB2 LEU 17 -0.040 -10.288 -15.141 287 HB3 LEU 17 HB3 LEU 17 0.177 -9.841 -13.490 288 HG LEU 17 HG LEU 17 1.132 -11.934 -12.839 289 HD11 LEU 17 HD11 LEU 17 1.896 -13.569 -14.577 290 HD12 LEU 17 HD12 LEU 17 0.960 -12.682 -15.801 291 HD13 LEU 17 HD13 LEU 17 0.142 -13.510 -14.452 292 HD21 LEU 17 HD21 LEU 17 2.491 -10.696 -15.272 293 HD22 LEU 17 HD22 LEU 17 3.284 -11.665 -14.011 294 HD23 LEU 17 HD23 LEU 17 2.575 -10.095 -13.601 295 H VAL 18 H VAL 18 -1.556 -9.759 -11.848 296 HA VAL 18 HA VAL 18 -0.797 -11.455 -9.681 297 HB VAL 18 HB VAL 18 -2.021 -8.656 -9.913 298 HG11 VAL 18 HG11 VAL 18 -2.733 -9.324 -7.793 299 HG12 VAL 18 HG12 VAL 18 -1.293 -10.305 -7.482 300 HG13 VAL 18 HG13 VAL 18 -1.176 -8.540 -7.472 301 HG21 VAL 18 HG21 VAL 18 0.716 -9.851 -9.334 302 HG22 VAL 18 HG22 VAL 18 0.307 -8.979 -10.761 303 HG23 VAL 18 HG23 VAL 18 0.381 -8.103 -9.244 304 H CYS 19 H CYS 19 -3.890 -10.463 -10.959 305 HA CYS 19 HA CYS 19 -5.411 -12.140 -9.010 306 HB2 CYS 19 HB2 CYS 19 -6.272 -10.444 -11.350 307 HB3 CYS 19 HB3 CYS 19 -7.369 -11.240 -10.201 308 H GLY 20 H GLY 20 -3.950 -12.448 -12.136 309 HA2 GLY 20 HA2 GLY 20 -3.925 -14.122 -13.698 310 HA3 GLY 20 HA3 GLY 20 -4.392 -15.230 -12.397 311 H GLU 21 H GLU 21 -6.067 -12.512 -13.952 312 HA GLU 21 HA GLU 21 -8.199 -12.130 -14.457 313 HB2 GLU 21 HB2 GLU 21 -9.025 -13.155 -16.399 314 HB3 GLU 21 HB3 GLU 21 -7.292 -12.884 -16.506 315 HG2 GLU 21 HG2 GLU 21 -6.831 -15.254 -16.257 316 HG3 GLU 21 HG3 GLU 21 -8.529 -15.592 -15.887 317 H ARG 22 H ARG 22 -7.971 -13.989 -12.101 318 HA ARG 22 HA ARG 22 -10.470 -15.352 -11.781 319 HB2 ARG 22 HB2 ARG 22 -8.522 -15.593 -10.290 320 HB3 ARG 22 HB3 ARG 22 -8.719 -13.910 -9.741 321 HG2 ARG 22 HG2 ARG 22 -10.846 -14.418 -8.727 322 HG3 ARG 22 HG3 ARG 22 -10.848 -16.045 -9.431 323 HD2 ARG 22 HD2 ARG 22 -10.258 -16.231 -7.098 324 HD3 ARG 22 HD3 ARG 22 -8.856 -16.632 -8.072 325 HE ARG 22 HE ARG 22 -7.713 -14.809 -7.221 326 HH11 ARG 22 HH11 ARG 22 -7.326 -13.236 -5.643 327 HH12 ARG 22 HH12 ARG 22 -8.706 -12.554 -4.792 328 HH21 ARG 22 HH21 ARG 22 -11.101 -14.299 -6.361 329 HH22 ARG 22 HH22 ARG 22 -10.670 -13.042 -5.217 330 H GLY 23 H GLY 23 -9.575 -11.982 -11.249 331 HA2 GLY 23 HA2 GLY 23 -11.391 -10.516 -12.255 332 HA3 GLY 23 HA3 GLY 23 -12.448 -11.140 -10.998 333 H PHE 24 H PHE 24 -11.846 -8.478 -11.456 334 HA PHE 24 HA PHE 24 -10.831 -7.303 -8.990 335 HB2 PHE 24 HB2 PHE 24 -8.956 -6.180 -10.081 336 HB3 PHE 24 HB3 PHE 24 -8.706 -7.902 -10.015 337 HD1 PHE 24 HD1 PHE 24 -8.912 -5.031 -12.200 338 HD2 PHE 24 HD2 PHE 24 -8.885 -9.336 -12.066 339 HE1 PHE 24 HE1 PHE 24 -8.145 -5.106 -14.575 340 HE2 PHE 24 HE2 PHE 24 -8.312 -9.417 -14.456 341 HZ PHE 24 HZ PHE 24 -7.925 -7.299 -15.716 342 H PHE 25 H PHE 25 -10.617 -4.949 -9.224 343 HA PHE 25 HA PHE 25 -12.141 -3.658 -11.431 344 HB2 PHE 25 HB2 PHE 25 -12.287 -3.025 -8.449 345 HB3 PHE 25 HB3 PHE 25 -12.806 -1.913 -9.703 346 HD1 PHE 25 HD1 PHE 25 -13.628 -5.037 -7.931 347 HD2 PHE 25 HD2 PHE 25 -14.781 -2.318 -11.070 348 HE1 PHE 25 HE1 PHE 25 -15.889 -6.094 -8.011 349 HE2 PHE 25 HE2 PHE 25 -17.038 -3.383 -11.153 350 HZ PHE 25 HZ PHE 25 -17.592 -5.253 -9.619 351 H TYR 26 H TYR 26 -11.250 -1.610 -12.028 352 HA TYR 26 HA TYR 26 -8.568 -0.924 -10.917 353 HB2 TYR 26 HB2 TYR 26 -7.682 -0.775 -13.207 354 HB3 TYR 26 HB3 TYR 26 -8.131 -2.389 -12.714 355 HD1 TYR 26 HD1 TYR 26 -8.978 0.401 -15.004 356 HD2 TYR 26 HD2 TYR 26 -9.974 -3.595 -13.716 357 HE1 TYR 26 HE1 TYR 26 -10.413 0.099 -17.021 358 HE2 TYR 26 HE2 TYR 26 -11.434 -3.883 -15.707 359 HH TYR 26 HH TYR 26 -12.234 -2.927 -17.636 360 H THR 27 H THR 27 -11.374 0.317 -10.917 361 HA THR 27 HA THR 27 -11.511 2.670 -12.411 362 HB THR 27 HB THR 27 -12.503 2.173 -9.584 363 HG1 THR 27 HG1 THR 27 -13.785 1.731 -12.081 364 HG21 THR 27 HG21 THR 27 -13.489 4.087 -11.752 365 HG22 THR 27 HG22 THR 27 -12.817 4.526 -10.166 366 HG23 THR 27 HG23 THR 27 -14.371 3.696 -10.260 367 HA PRO 28 HA PRO 28 -8.002 4.706 -10.433 368 HB2 PRO 28 HB2 PRO 28 -7.731 6.916 -12.007 369 HB3 PRO 28 HB3 PRO 28 -7.352 5.266 -12.583 370 HG2 PRO 28 HG2 PRO 28 -9.937 6.810 -12.987 371 HG3 PRO 28 HG3 PRO 28 -8.940 5.979 -14.230 372 HD2 PRO 28 HD2 PRO 28 -11.095 4.773 -13.106 373 HD3 PRO 28 HD3 PRO 28 -9.602 3.843 -13.471 374 H LYS 29 H LYS 29 -11.176 6.107 -10.609 375 HA LYS 29 HA LYS 29 -10.775 8.473 -9.025 376 HB2 LYS 29 HB2 LYS 29 -12.765 7.757 -10.547 377 HB3 LYS 29 HB3 LYS 29 -13.304 6.802 -9.162 378 HG2 LYS 29 HG2 LYS 29 -13.203 9.052 -7.821 379 HG3 LYS 29 HG3 LYS 29 -12.987 9.817 -9.392 380 HD2 LYS 29 HD2 LYS 29 -15.299 9.960 -8.850 381 HD3 LYS 29 HD3 LYS 29 -15.182 8.720 -10.108 382 HE2 LYS 29 HE2 LYS 29 -15.258 6.935 -8.370 383 HE3 LYS 29 HE3 LYS 29 -15.287 8.158 -7.099 384 HZ1 LYS 29 HZ1 LYS 29 -17.403 7.800 -9.154 385 HZ2 LYS 29 HZ2 LYS 29 -17.430 8.932 -7.976 386 HZ3 LYS 29 HZ3 LYS 29 -17.522 7.351 -7.589 387 H THR 30 H THR 30 -10.841 5.131 -8.093 388 HA THR 30 HA THR 30 -12.159 5.155 -5.648 389 HB THR 30 HB THR 30 -9.723 3.453 -6.287 390 HG1 THR 30 HG1 THR 30 -10.982 2.960 -7.892 391 HG21 THR 30 HG21 THR 30 -10.925 1.763 -4.911 392 HG22 THR 30 HG22 THR 30 -12.162 2.986 -4.516 393 HG23 THR 30 HG23 THR 30 -10.489 3.191 -3.956 394 H ARG 31 H ARG 31 -11.853 6.275 -3.846 395 HA ARG 31 HA ARG 31 -9.388 7.647 -3.193 396 HB2 ARG 31 HB2 ARG 31 -11.953 7.289 -1.587 397 HB3 ARG 31 HB3 ARG 31 -10.599 8.334 -1.136 398 HG2 ARG 31 HG2 ARG 31 -10.868 9.580 -3.308 399 HG3 ARG 31 HG3 ARG 31 -12.323 8.636 -3.643 400 HD2 ARG 31 HD2 ARG 31 -11.880 10.432 -1.222 401 HD3 ARG 31 HD3 ARG 31 -12.807 10.868 -2.668 402 HE ARG 31 HE ARG 31 -13.958 8.501 -1.714 403 HH11 ARG 31 HH11 ARG 31 -13.608 11.774 -0.492 404 HH12 ARG 31 HH12 ARG 31 -15.037 11.648 0.496 405 HH21 ARG 31 HH21 ARG 31 -15.758 8.416 -0.429 406 HH22 ARG 31 HH22 ARG 31 -16.215 9.799 0.525 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -7.099 6.342 -4.051 2 H2 GLY 1 H2 GLY 1 -5.507 6.684 -4.235 3 H3 GLY 1 H3 GLY 1 -5.963 5.466 -3.244 4 HA2 GLY 1 HA2 GLY 1 -6.798 4.163 -5.085 5 HA3 GLY 1 HA3 GLY 1 -6.352 5.487 -6.169 6 H ILE 2 H ILE 2 -5.408 2.640 -6.089 7 HA ILE 2 HA ILE 2 -2.707 2.574 -4.981 8 HB ILE 2 HB ILE 2 -3.930 0.553 -4.970 9 HG12 ILE 2 HG12 ILE 2 -2.080 0.252 -7.359 10 HG13 ILE 2 HG13 ILE 2 -1.485 0.446 -5.696 11 HG21 ILE 2 HG21 ILE 2 -4.819 -0.495 -7.006 12 HG22 ILE 2 HG22 ILE 2 -5.627 1.008 -6.689 13 HG23 ILE 2 HG23 ILE 2 -4.382 0.964 -7.960 14 HD11 ILE 2 HD11 ILE 2 -3.097 -1.913 -6.775 15 HD12 ILE 2 HD12 ILE 2 -1.381 -1.845 -6.329 16 HD13 ILE 2 HD13 ILE 2 -2.632 -1.675 -5.074 17 H VAL 3 H VAL 3 -4.034 2.991 -8.263 18 HA VAL 3 HA VAL 3 -1.954 3.384 -9.924 19 HB VAL 3 HB VAL 3 -4.130 5.466 -9.524 20 HG11 VAL 3 HG11 VAL 3 -2.707 4.492 -12.040 21 HG12 VAL 3 HG12 VAL 3 -4.021 5.688 -11.977 22 HG13 VAL 3 HG13 VAL 3 -2.466 6.060 -11.240 23 HG21 VAL 3 HG21 VAL 3 -5.565 4.179 -11.068 24 HG22 VAL 3 HG22 VAL 3 -4.428 2.831 -11.018 25 HG23 VAL 3 HG23 VAL 3 -5.315 3.315 -9.559 26 H GLU 4 H GLU 4 -2.759 5.664 -7.285 27 HA GLU 4 HA GLU 4 -0.929 7.640 -8.213 28 HB2 GLU 4 HB2 GLU 4 -2.784 8.088 -6.636 29 HB3 GLU 4 HB3 GLU 4 -1.958 7.154 -5.380 30 HG2 GLU 4 HG2 GLU 4 -0.113 8.753 -5.330 31 HG3 GLU 4 HG3 GLU 4 -0.794 9.635 -6.709 32 H GLN 5 H GLN 5 -0.496 4.797 -6.205 33 HA GLN 5 HA GLN 5 2.302 5.320 -5.502 34 HB2 GLN 5 HB2 GLN 5 0.310 3.880 -4.323 35 HB3 GLN 5 HB3 GLN 5 1.044 2.594 -5.237 36 HG2 GLN 5 HG2 GLN 5 2.412 4.404 -3.188 37 HG3 GLN 5 HG3 GLN 5 1.943 2.717 -2.955 38 HE21 GLN 5 HE21 GLN 5 3.042 1.076 -4.453 39 HE22 GLN 5 HE22 GLN 5 4.661 1.439 -5.048 40 H CYS 6 H CYS 6 0.535 3.026 -7.600 41 HA CYS 6 HA CYS 6 2.932 1.754 -8.588 42 HB2 CYS 6 HB2 CYS 6 0.114 1.562 -9.623 43 HB3 CYS 6 HB3 CYS 6 1.455 0.486 -10.019 44 H CYS 7 H CYS 7 1.109 4.516 -9.885 45 HA CYS 7 HA CYS 7 2.496 4.195 -12.464 46 HB2 CYS 7 HB2 CYS 7 0.162 4.906 -12.391 47 HB3 CYS 7 HB3 CYS 7 0.554 6.313 -11.456 48 H THR 8 H THR 8 2.833 6.171 -9.512 49 HA THR 8 HA THR 8 4.970 7.837 -10.710 50 HB THR 8 HB THR 8 5.049 9.050 -8.665 51 HG1 THR 8 HG1 THR 8 2.967 7.624 -7.482 52 HG21 THR 8 HG21 THR 8 2.787 9.919 -8.527 53 HG22 THR 8 HG22 THR 8 2.148 8.483 -9.364 54 HG23 THR 8 HG23 THR 8 3.242 9.596 -10.219 55 H SER 9 H SER 9 4.697 5.070 -8.513 56 HA SER 9 HA SER 9 7.642 4.798 -8.662 57 HB2 SER 9 HB2 SER 9 6.853 5.672 -6.379 58 HB3 SER 9 HB3 SER 9 6.076 4.097 -6.181 59 HG SER 9 HG SER 9 8.258 4.285 -5.310 60 H ILE 10 H ILE 10 7.815 2.380 -7.354 61 HA ILE 10 HA ILE 10 6.719 0.593 -9.414 62 HB ILE 10 HB ILE 10 8.299 -1.088 -8.365 63 HG12 ILE 10 HG12 ILE 10 10.379 0.161 -7.351 64 HG13 ILE 10 HG13 ILE 10 9.244 1.379 -6.801 65 HG21 ILE 10 HG21 ILE 10 9.550 1.422 -9.454 66 HG22 ILE 10 HG22 ILE 10 10.156 -0.256 -9.513 67 HG23 ILE 10 HG23 ILE 10 8.703 0.201 -10.438 68 HD11 ILE 10 HD11 ILE 10 8.015 -0.357 -5.576 69 HD12 ILE 10 HD12 ILE 10 9.117 -1.587 -6.292 70 HD13 ILE 10 HD13 ILE 10 9.743 -0.371 -5.141 71 H CYS 11 H CYS 11 5.662 -1.270 -9.147 72 HA CYS 11 HA CYS 11 4.558 -2.076 -6.507 73 HB2 CYS 11 HB2 CYS 11 2.999 -1.317 -8.992 74 HB3 CYS 11 HB3 CYS 11 2.362 -2.441 -7.797 75 H SER 12 H SER 12 3.475 -4.178 -6.623 76 HA SER 12 HA SER 12 4.134 -6.135 -8.701 77 HB2 SER 12 HB2 SER 12 5.445 -7.549 -7.211 78 HB3 SER 12 HB3 SER 12 6.214 -5.955 -7.289 79 HG SER 12 HG SER 12 6.082 -6.564 -5.138 80 H LEU 13 H LEU 13 3.513 -8.483 -7.254 81 HA LEU 13 HA LEU 13 0.691 -8.117 -6.707 82 HB2 LEU 13 HB2 LEU 13 0.748 -10.527 -5.959 83 HB3 LEU 13 HB3 LEU 13 1.142 -10.195 -7.628 84 HG LEU 13 HG LEU 13 3.504 -10.557 -7.252 85 HD11 LEU 13 HD11 LEU 13 4.223 -11.636 -5.095 86 HD12 LEU 13 HD12 LEU 13 2.663 -11.164 -4.383 87 HD13 LEU 13 HD13 LEU 13 3.832 -9.932 -4.929 88 HD21 LEU 13 HD21 LEU 13 2.028 -12.421 -7.897 89 HD22 LEU 13 HD22 LEU 13 1.706 -12.777 -6.184 90 HD23 LEU 13 HD23 LEU 13 3.343 -12.988 -6.856 91 H TYR 14 H TYR 14 3.384 -7.496 -4.768 92 HA TYR 14 HA TYR 14 2.127 -7.868 -2.192 93 HB2 TYR 14 HB2 TYR 14 4.664 -7.264 -3.108 94 HB3 TYR 14 HB3 TYR 14 4.140 -5.701 -2.516 95 HD1 TYR 14 HD1 TYR 14 4.667 -9.283 -1.731 96 HD2 TYR 14 HD2 TYR 14 3.937 -5.367 -0.078 97 HE1 TYR 14 HE1 TYR 14 5.202 -10.148 0.567 98 HE2 TYR 14 HE2 TYR 14 4.466 -6.225 2.206 99 HH TYR 14 HH TYR 14 5.097 -8.026 3.460 100 H GLN 15 H GLN 15 1.797 -5.434 -4.737 101 HA GLN 15 HA GLN 15 0.062 -3.740 -2.981 102 HB2 GLN 15 HB2 GLN 15 1.435 -3.264 -5.653 103 HB3 GLN 15 HB3 GLN 15 0.419 -2.088 -4.828 104 HG2 GLN 15 HG2 GLN 15 2.770 -3.229 -3.286 105 HG3 GLN 15 HG3 GLN 15 3.085 -2.152 -4.607 106 HE21 GLN 15 HE21 GLN 15 1.634 -2.421 -1.369 107 HE22 GLN 15 HE22 GLN 15 1.410 -0.687 -1.156 108 H LEU 16 H LEU 16 0.168 -5.223 -6.258 109 HA LEU 16 HA LEU 16 -2.419 -4.354 -7.097 110 HB2 LEU 16 HB2 LEU 16 -0.471 -6.484 -7.984 111 HB3 LEU 16 HB3 LEU 16 -2.034 -6.247 -8.782 112 HG LEU 16 HG LEU 16 -0.040 -5.283 -9.885 113 HD11 LEU 16 HD11 LEU 16 -2.586 -4.609 -10.087 114 HD12 LEU 16 HD12 LEU 16 -1.341 -3.650 -10.860 115 HD13 LEU 16 HD13 LEU 16 -2.033 -3.129 -9.297 116 HD21 LEU 16 HD21 LEU 16 1.100 -4.164 -8.091 117 HD22 LEU 16 HD22 LEU 16 -0.320 -3.140 -7.772 118 HD23 LEU 16 HD23 LEU 16 0.586 -2.972 -9.293 119 H GLU 17 H GLU 17 -1.566 -7.259 -5.196 120 HA GLU 17 HA GLU 17 -3.957 -8.678 -6.021 121 HB2 GLU 17 HB2 GLU 17 -1.675 -9.568 -5.123 122 HB3 GLU 17 HB3 GLU 17 -2.441 -9.372 -3.521 123 HG2 GLU 17 HG2 GLU 17 -4.377 -10.781 -4.521 124 HG3 GLU 17 HG3 GLU 17 -3.338 -11.028 -5.926 125 H ASN 18 H ASN 18 -3.638 -6.027 -4.154 126 HA ASN 18 HA ASN 18 -5.931 -6.430 -2.348 127 HB2 ASN 18 HB2 ASN 18 -4.342 -3.954 -3.202 128 HB3 ASN 18 HB3 ASN 18 -5.685 -3.905 -2.091 129 HD21 ASN 18 HD21 ASN 18 -2.328 -4.575 -2.418 130 HD22 ASN 18 HD22 ASN 18 -2.043 -5.045 -0.737 131 H TYR 19 H TYR 19 -5.538 -5.720 -5.772 132 HA TYR 19 HA TYR 19 -8.063 -4.159 -5.930 133 HB2 TYR 19 HB2 TYR 19 -6.094 -5.352 -7.880 134 HB3 TYR 19 HB3 TYR 19 -7.653 -4.769 -8.411 135 HD1 TYR 19 HD1 TYR 19 -8.255 -2.269 -7.561 136 HD2 TYR 19 HD2 TYR 19 -4.370 -3.968 -8.227 137 HE1 TYR 19 HE1 TYR 19 -7.545 -0.196 -8.749 138 HE2 TYR 19 HE2 TYR 19 -3.769 -2.104 -9.696 139 HH TYR 19 HH TYR 19 -6.103 0.612 -10.322 140 H CYS 20 H CYS 20 -6.958 -7.495 -6.420 141 HA CYS 20 HA CYS 20 -8.963 -8.331 -8.054 142 HB2 CYS 20 HB2 CYS 20 -7.768 -10.162 -5.992 143 HB3 CYS 20 HB3 CYS 20 -8.384 -10.546 -7.632 144 H ASN 21 H ASN 21 -10.853 -9.575 -7.868 145 HA ASN 21 HA ASN 21 -12.461 -8.804 -5.615 146 HB2 ASN 21 HB2 ASN 21 -12.952 -8.439 -8.072 147 HB3 ASN 21 HB3 ASN 21 -13.100 -10.187 -8.261 148 HD21 ASN 21 HD21 ASN 21 -15.170 -9.491 -9.170 149 HD22 ASN 21 HD22 ASN 21 -16.504 -9.255 -8.059 150 H SER 22 H SER 22 -10.611 -10.752 -4.881 151 HA SER 22 HA SER 22 -11.356 -13.471 -5.118 152 HB2 SER 22 HB2 SER 22 -9.647 -12.151 -2.981 153 HB3 SER 22 HB3 SER 22 -9.646 -13.868 -3.414 154 HG SER 22 HG SER 22 -7.952 -12.611 -4.468 155 H1 PHE 1 H1 PHE 1 7.307 -12.659 -11.125 156 H2 PHE 1 H2 PHE 1 7.568 -12.526 -12.735 157 H3 PHE 1 H3 PHE 1 6.088 -12.962 -12.183 158 HA PHE 1 HA PHE 1 6.097 -10.666 -12.918 159 HB2 PHE 1 HB2 PHE 1 5.034 -9.666 -11.008 160 HB3 PHE 1 HB3 PHE 1 4.551 -11.339 -11.104 161 HD1 PHE 1 HD1 PHE 1 6.515 -8.844 -9.186 162 HD2 PHE 1 HD2 PHE 1 5.211 -12.958 -9.353 163 HE1 PHE 1 HE1 PHE 1 7.261 -9.182 -6.846 164 HE2 PHE 1 HE2 PHE 1 5.972 -13.284 -7.013 165 HZ PHE 1 HZ PHE 1 7.005 -11.399 -5.759 166 H VAL 2 H VAL 2 6.683 -8.391 -12.240 167 HA VAL 2 HA VAL 2 9.446 -8.128 -11.171 168 HB VAL 2 HB VAL 2 9.900 -6.441 -12.957 169 HG11 VAL 2 HG11 VAL 2 10.594 -8.038 -14.643 170 HG12 VAL 2 HG12 VAL 2 10.867 -8.709 -13.029 171 HG13 VAL 2 HG13 VAL 2 9.481 -9.266 -13.999 172 HG21 VAL 2 HG21 VAL 2 7.567 -7.706 -14.468 173 HG22 VAL 2 HG22 VAL 2 7.577 -6.058 -13.790 174 HG23 VAL 2 HG23 VAL 2 8.706 -6.489 -15.073 175 H LYS 3 H LYS 3 9.908 -6.210 -10.111 176 HA LYS 3 HA LYS 3 7.697 -4.493 -9.243 177 HB2 LYS 3 HB2 LYS 3 10.703 -4.184 -8.889 178 HB3 LYS 3 HB3 LYS 3 9.439 -3.203 -8.121 179 HG2 LYS 3 HG2 LYS 3 8.554 -5.211 -6.973 180 HG3 LYS 3 HG3 LYS 3 9.788 -6.216 -7.754 181 HD2 LYS 3 HD2 LYS 3 11.560 -4.803 -6.652 182 HD3 LYS 3 HD3 LYS 3 10.270 -3.965 -5.760 183 HE2 LYS 3 HE2 LYS 3 9.510 -6.143 -4.828 184 HE3 LYS 3 HE3 LYS 3 10.771 -6.973 -5.750 185 HZ1 LYS 3 HZ1 LYS 3 11.466 -6.582 -3.450 186 HZ2 LYS 3 HZ2 LYS 3 11.273 -4.976 -3.610 187 HZ3 LYS 3 HZ3 LYS 3 12.437 -5.745 -4.461 188 H GLN 4 H GLN 4 6.843 -2.949 -10.469 189 HA GLN 4 HA GLN 4 8.531 -1.422 -12.386 190 HB2 GLN 4 HB2 GLN 4 7.660 -3.654 -13.327 191 HB3 GLN 4 HB3 GLN 4 6.056 -2.916 -13.314 192 HG2 GLN 4 HG2 GLN 4 6.622 -1.390 -15.023 193 HG3 GLN 4 HG3 GLN 4 8.350 -1.493 -14.674 194 HE21 GLN 4 HE21 GLN 4 5.827 -4.011 -15.485 195 HE22 GLN 4 HE22 GLN 4 6.833 -4.726 -16.735 196 H HIS 5 H HIS 5 7.625 0.468 -13.237 197 HA HIS 5 HA HIS 5 5.333 1.627 -11.784 198 HB2 HIS 5 HB2 HIS 5 6.052 3.717 -13.001 199 HB3 HIS 5 HB3 HIS 5 7.111 3.090 -11.746 200 HD1 HIS 5 HD1 HIS 5 9.605 3.074 -12.442 201 HD2 HIS 5 HD2 HIS 5 6.925 2.675 -15.669 202 HE1 HIS 5 HE1 HIS 5 11.038 2.948 -14.536 203 H LEU 6 H LEU 6 3.419 1.975 -12.637 204 HA LEU 6 HA LEU 6 2.813 1.528 -15.518 205 HB2 LEU 6 HB2 LEU 6 1.526 -0.013 -13.227 206 HB3 LEU 6 HB3 LEU 6 1.296 -0.266 -14.929 207 HG LEU 6 HG LEU 6 3.938 -0.805 -13.623 208 HD11 LEU 6 HD11 LEU 6 1.680 -2.729 -14.041 209 HD12 LEU 6 HD12 LEU 6 2.241 -2.085 -12.486 210 HD13 LEU 6 HD13 LEU 6 3.314 -3.094 -13.461 211 HD21 LEU 6 HD21 LEU 6 3.871 -0.692 -16.189 212 HD22 LEU 6 HD22 LEU 6 2.773 -2.100 -16.101 213 HD23 LEU 6 HD23 LEU 6 4.410 -2.209 -15.471 214 H CYS 7 H CYS 7 1.020 2.580 -16.179 215 HA CYS 7 HA CYS 7 -0.826 3.866 -14.192 216 HB2 CYS 7 HB2 CYS 7 0.789 5.119 -16.217 217 HB3 CYS 7 HB3 CYS 7 -0.890 5.213 -16.726 218 H GLY 8 H GLY 8 -2.948 3.289 -14.430 219 HA2 GLY 8 HA2 GLY 8 -4.920 2.467 -15.310 220 HA3 GLY 8 HA3 GLY 8 -4.401 3.248 -16.797 221 H SER 9 H SER 9 -4.089 1.972 -18.539 222 HA SER 9 HA SER 9 -4.664 -0.757 -18.721 223 HB2 SER 9 HB2 SER 9 -2.742 0.895 -20.450 224 HB3 SER 9 HB3 SER 9 -3.571 -0.596 -20.944 225 HG SER 9 HG SER 9 -4.675 1.266 -21.707 226 H HIS 10 H HIS 10 -1.396 0.731 -18.265 227 HA HIS 10 HA HIS 10 0.001 -1.849 -18.419 228 HB2 HIS 10 HB2 HIS 10 0.778 0.833 -17.213 229 HB3 HIS 10 HB3 HIS 10 1.871 -0.528 -17.346 230 HD1 HIS 10 HD1 HIS 10 1.790 -1.448 -20.242 231 HD2 HIS 10 HD2 HIS 10 0.728 2.452 -19.130 232 HE1 HIS 10 HE1 HIS 10 2.029 -0.032 -22.352 233 H LEU 11 H LEU 11 -1.511 0.052 -15.856 234 HA LEU 11 HA LEU 11 -0.283 -1.398 -13.692 235 HB2 LEU 11 HB2 LEU 11 -1.663 0.955 -13.920 236 HB3 LEU 11 HB3 LEU 11 -2.958 -0.091 -13.351 237 HG LEU 11 HG LEU 11 -0.317 0.602 -11.989 238 HD11 LEU 11 HD11 LEU 11 -2.129 2.209 -11.770 239 HD12 LEU 11 HD12 LEU 11 -1.968 1.323 -10.217 240 HD13 LEU 11 HD13 LEU 11 -3.264 0.916 -11.331 241 HD21 LEU 11 HD21 LEU 11 -2.322 -1.515 -11.252 242 HD22 LEU 11 HD22 LEU 11 -1.190 -0.817 -10.076 243 HD23 LEU 11 HD23 LEU 11 -0.559 -1.689 -11.470 244 H VAL 12 H VAL 12 -3.292 -1.646 -15.516 245 HA VAL 12 HA VAL 12 -4.296 -4.059 -14.369 246 HB VAL 12 HB VAL 12 -4.651 -2.885 -17.154 247 HG11 VAL 12 HG11 VAL 12 -6.621 -4.431 -17.346 248 HG12 VAL 12 HG12 VAL 12 -5.058 -5.238 -17.458 249 HG13 VAL 12 HG13 VAL 12 -5.985 -5.332 -15.945 250 HG21 VAL 12 HG21 VAL 12 -6.519 -3.107 -14.762 251 HG22 VAL 12 HG22 VAL 12 -5.647 -1.638 -15.234 252 HG23 VAL 12 HG23 VAL 12 -6.875 -2.314 -16.312 253 H GLU 13 H GLU 13 -1.592 -3.666 -16.856 254 HA GLU 13 HA GLU 13 -1.562 -6.446 -17.547 255 HB2 GLU 13 HB2 GLU 13 0.733 -4.452 -17.467 256 HB3 GLU 13 HB3 GLU 13 0.751 -6.042 -18.169 257 HG2 GLU 13 HG2 GLU 13 -1.057 -5.395 -19.744 258 HG3 GLU 13 HG3 GLU 13 -0.947 -3.757 -19.106 259 H ALA 14 H ALA 14 -0.499 -4.720 -14.638 260 HA ALA 14 HA ALA 14 0.887 -7.160 -13.607 261 HB1 ALA 14 HB1 ALA 14 0.373 -4.389 -12.467 262 HB2 ALA 14 HB2 ALA 14 1.211 -5.749 -11.631 263 HB3 ALA 14 HB3 ALA 14 1.882 -5.013 -13.129 264 H LEU 15 H LEU 15 -1.996 -5.149 -12.792 265 HA LEU 15 HA LEU 15 -3.160 -6.616 -10.819 266 HB2 LEU 15 HB2 LEU 15 -3.764 -4.442 -12.300 267 HB3 LEU 15 HB3 LEU 15 -4.863 -5.585 -13.086 268 HG LEU 15 HG LEU 15 -4.745 -4.783 -10.195 269 HD11 LEU 15 HD11 LEU 15 -6.739 -4.293 -12.419 270 HD12 LEU 15 HD12 LEU 15 -5.728 -3.094 -11.618 271 HD13 LEU 15 HD13 LEU 15 -7.034 -3.880 -10.712 272 HD21 LEU 15 HD21 LEU 15 -5.317 -7.006 -10.106 273 HD22 LEU 15 HD22 LEU 15 -6.358 -6.897 -11.551 274 HD23 LEU 15 HD23 LEU 15 -6.837 -6.151 -10.003 275 H TYR 16 H TYR 16 -3.640 -7.128 -14.278 276 HA TYR 16 HA TYR 16 -5.441 -9.337 -14.247 277 HB2 TYR 16 HB2 TYR 16 -4.835 -7.637 -16.054 278 HB3 TYR 16 HB3 TYR 16 -3.391 -8.581 -16.377 279 HD1 TYR 16 HD1 TYR 16 -6.369 -7.718 -17.662 280 HD2 TYR 16 HD2 TYR 16 -4.204 -11.330 -16.701 281 HE1 TYR 16 HE1 TYR 16 -7.763 -9.021 -19.291 282 HE2 TYR 16 HE2 TYR 16 -5.599 -12.612 -18.260 283 HH TYR 16 HH TYR 16 -7.309 -12.546 -19.803 284 H LEU 17 H LEU 17 -1.944 -9.208 -13.895 285 HA LEU 17 HA LEU 17 -1.522 -12.087 -14.416 286 HB2 LEU 17 HB2 LEU 17 0.081 -10.295 -15.103 287 HB3 LEU 17 HB3 LEU 17 0.268 -9.780 -13.462 288 HG LEU 17 HG LEU 17 1.229 -11.849 -12.731 289 HD11 LEU 17 HD11 LEU 17 2.069 -13.503 -14.430 290 HD12 LEU 17 HD12 LEU 17 1.133 -12.661 -15.682 291 HD13 LEU 17 HD13 LEU 17 0.303 -13.475 -14.333 292 HD21 LEU 17 HD21 LEU 17 2.626 -10.642 -15.158 293 HD22 LEU 17 HD22 LEU 17 3.412 -11.581 -13.867 294 HD23 LEU 17 HD23 LEU 17 2.664 -10.007 -13.498 295 H VAL 18 H VAL 18 -1.480 -9.724 -11.820 296 HA VAL 18 HA VAL 18 -0.686 -11.324 -9.606 297 HB VAL 18 HB VAL 18 -2.257 -8.715 -9.866 298 HG11 VAL 18 HG11 VAL 18 -2.796 -9.479 -7.736 299 HG12 VAL 18 HG12 VAL 18 -1.196 -10.196 -7.454 300 HG13 VAL 18 HG13 VAL 18 -1.390 -8.438 -7.463 301 HG21 VAL 18 HG21 VAL 18 -0.276 -7.631 -10.040 302 HG22 VAL 18 HG22 VAL 18 0.528 -8.619 -8.841 303 HG23 VAL 18 HG23 VAL 18 0.427 -9.175 -10.498 304 H CYS 19 H CYS 19 -3.873 -10.532 -10.997 305 HA CYS 19 HA CYS 19 -5.312 -12.125 -8.951 306 HB2 CYS 19 HB2 CYS 19 -6.203 -10.773 -11.507 307 HB3 CYS 19 HB3 CYS 19 -7.280 -11.510 -10.300 308 H GLY 20 H GLY 20 -4.011 -12.373 -12.168 309 HA2 GLY 20 HA2 GLY 20 -3.645 -14.044 -13.655 310 HA3 GLY 20 HA3 GLY 20 -4.186 -15.226 -12.442 311 H GLU 21 H GLU 21 -6.573 -14.733 -11.974 312 HA GLU 21 HA GLU 21 -8.371 -14.597 -14.337 313 HB2 GLU 21 HB2 GLU 21 -7.971 -17.179 -12.747 314 HB3 GLU 21 HB3 GLU 21 -9.297 -16.887 -13.877 315 HG2 GLU 21 HG2 GLU 21 -7.607 -16.543 -15.712 316 HG3 GLU 21 HG3 GLU 21 -6.348 -17.055 -14.589 317 H ARG 22 H ARG 22 -7.895 -14.226 -10.973 318 HA ARG 22 HA ARG 22 -10.488 -14.948 -9.982 319 HB2 ARG 22 HB2 ARG 22 -8.195 -13.328 -8.812 320 HB3 ARG 22 HB3 ARG 22 -9.639 -13.771 -7.897 321 HG2 ARG 22 HG2 ARG 22 -9.233 -16.145 -8.217 322 HG3 ARG 22 HG3 ARG 22 -7.831 -15.839 -9.238 323 HD2 ARG 22 HD2 ARG 22 -8.053 -14.890 -6.355 324 HD3 ARG 22 HD3 ARG 22 -7.352 -16.443 -6.830 325 HE ARG 22 HE ARG 22 -5.950 -14.648 -8.383 326 HH11 ARG 22 HH11 ARG 22 -6.409 -14.946 -4.878 327 HH12 ARG 22 HH12 ARG 22 -4.838 -14.182 -4.587 328 HH21 ARG 22 HH21 ARG 22 -3.616 -13.609 -6.008 329 HH22 ARG 22 HH22 ARG 22 -3.921 -13.644 -7.731 330 H GLY 23 H GLY 23 -9.831 -12.260 -11.815 331 HA2 GLY 23 HA2 GLY 23 -11.194 -10.498 -12.431 332 HA3 GLY 23 HA3 GLY 23 -12.388 -10.984 -11.244 333 H PHE 24 H PHE 24 -11.823 -8.389 -11.720 334 HA PHE 24 HA PHE 24 -11.000 -7.048 -9.284 335 HB2 PHE 24 HB2 PHE 24 -9.001 -6.011 -10.256 336 HB3 PHE 24 HB3 PHE 24 -8.777 -7.727 -10.076 337 HD1 PHE 24 HD1 PHE 24 -8.966 -4.964 -12.472 338 HD2 PHE 24 HD2 PHE 24 -8.658 -9.243 -12.031 339 HE1 PHE 24 HE1 PHE 24 -8.070 -5.145 -14.785 340 HE2 PHE 24 HE2 PHE 24 -7.946 -9.442 -14.386 341 HZ PHE 24 HZ PHE 24 -7.624 -7.386 -15.769 342 H PHE 25 H PHE 25 -10.778 -4.681 -9.690 343 HA PHE 25 HA PHE 25 -11.478 -3.606 -12.296 344 HB2 PHE 25 HB2 PHE 25 -13.701 -3.613 -11.268 345 HB3 PHE 25 HB3 PHE 25 -13.054 -2.866 -9.801 346 HD1 PHE 25 HD1 PHE 25 -13.876 -0.690 -9.620 347 HD2 PHE 25 HD2 PHE 25 -12.649 -2.101 -13.500 348 HE1 PHE 25 HE1 PHE 25 -14.225 1.589 -10.564 349 HE2 PHE 25 HE2 PHE 25 -12.946 0.177 -14.429 350 HZ PHE 25 HZ PHE 25 -13.742 2.022 -12.964 351 H TYR 26 H TYR 26 -10.360 -1.670 -12.648 352 HA TYR 26 HA TYR 26 -8.104 -1.375 -10.831 353 HB2 TYR 26 HB2 TYR 26 -7.066 -0.186 -12.816 354 HB3 TYR 26 HB3 TYR 26 -7.410 -1.889 -12.917 355 HD1 TYR 26 HD1 TYR 26 -9.242 -2.794 -14.283 356 HD2 TYR 26 HD2 TYR 26 -8.166 1.385 -14.341 357 HE1 TYR 26 HE1 TYR 26 -10.569 -2.472 -16.375 358 HE2 TYR 26 HE2 TYR 26 -9.470 1.700 -16.437 359 HH TYR 26 HH TYR 26 -10.799 0.713 -18.013 360 H THR 27 H THR 27 -10.895 0.313 -10.924 361 HA THR 27 HA THR 27 -11.536 2.446 -10.341 362 HB THR 27 HB THR 27 -11.034 2.783 -7.971 363 HG1 THR 27 HG1 THR 27 -8.881 2.191 -7.927 364 HG21 THR 27 HG21 THR 27 -11.491 -0.142 -8.655 365 HG22 THR 27 HG22 THR 27 -12.722 1.138 -8.528 366 HG23 THR 27 HG23 THR 27 -11.812 0.647 -7.093 367 HA PRO 28 HA PRO 28 -7.662 4.975 -11.072 368 HB2 PRO 28 HB2 PRO 28 -7.859 5.850 -13.618 369 HB3 PRO 28 HB3 PRO 28 -7.299 4.195 -13.228 370 HG2 PRO 28 HG2 PRO 28 -10.109 5.087 -14.018 371 HG3 PRO 28 HG3 PRO 28 -9.144 3.741 -14.708 372 HD2 PRO 28 HD2 PRO 28 -11.023 3.353 -12.738 373 HD3 PRO 28 HD3 PRO 28 -9.543 2.370 -12.853 374 H LYS 29 H LYS 29 -11.003 5.607 -11.498 375 HA LYS 29 HA LYS 29 -10.771 8.288 -10.295 376 HB2 LYS 29 HB2 LYS 29 -10.723 8.714 -12.758 377 HB3 LYS 29 HB3 LYS 29 -12.250 7.869 -12.927 378 HG2 LYS 29 HG2 LYS 29 -12.669 9.877 -10.905 379 HG3 LYS 29 HG3 LYS 29 -11.691 10.632 -12.136 380 HD2 LYS 29 HD2 LYS 29 -13.996 11.054 -12.658 381 HD3 LYS 29 HD3 LYS 29 -13.364 9.931 -13.880 382 HE2 LYS 29 HE2 LYS 29 -14.366 8.026 -12.617 383 HE3 LYS 29 HE3 LYS 29 -14.987 9.150 -11.407 384 HZ1 LYS 29 HZ1 LYS 29 -16.649 8.518 -13.079 385 HZ2 LYS 29 HZ2 LYS 29 -15.751 9.159 -14.280 386 HZ3 LYS 29 HZ3 LYS 29 -16.385 10.132 -13.130 387 H THR 30 H THR 30 -13.101 6.037 -11.772 388 HA THR 30 HA THR 30 -15.193 6.498 -9.832 389 HB THR 30 HB THR 30 -14.850 4.193 -11.774 390 HG1 THR 30 HG1 THR 30 -16.060 5.481 -13.146 391 HG21 THR 30 HG21 THR 30 -17.342 5.392 -10.465 392 HG22 THR 30 HG22 THR 30 -16.663 3.779 -10.125 393 HG23 THR 30 HG23 THR 30 -17.342 4.132 -11.717 394 H ARG 31 H ARG 31 -15.715 5.391 -8.003 395 HA ARG 31 HA ARG 31 -14.297 2.942 -7.186 396 HB2 ARG 31 HB2 ARG 31 -13.867 3.996 -4.920 397 HB3 ARG 31 HB3 ARG 31 -12.827 4.440 -6.261 398 HG2 ARG 31 HG2 ARG 31 -13.186 6.370 -4.921 399 HG3 ARG 31 HG3 ARG 31 -13.920 6.615 -6.491 400 HD2 ARG 31 HD2 ARG 31 -15.315 7.570 -4.802 401 HD3 ARG 31 HD3 ARG 31 -16.169 6.220 -5.498 402 HE ARG 31 HE ARG 31 -14.708 6.162 -2.865 403 HH11 ARG 31 HH11 ARG 31 -17.404 4.870 -4.712 404 HH12 ARG 31 HH12 ARG 31 -18.267 4.410 -3.267 405 HH21 ARG 31 HH21 ARG 31 -15.806 5.428 -1.109 406 HH22 ARG 31 HH22 ARG 31 -17.345 4.632 -1.301 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -6.365 5.103 -3.163 2 H2 GLY 1 H2 GLY 1 -7.379 6.071 -4.023 3 H3 GLY 1 H3 GLY 1 -5.775 6.392 -3.978 4 HA2 GLY 1 HA2 GLY 1 -6.962 3.972 -5.171 5 HA3 GLY 1 HA3 GLY 1 -6.453 5.398 -6.093 6 H ILE 2 H ILE 2 -5.473 2.588 -6.250 7 HA ILE 2 HA ILE 2 -2.777 2.606 -5.043 8 HB ILE 2 HB ILE 2 -3.939 0.540 -4.917 9 HG12 ILE 2 HG12 ILE 2 -2.038 0.214 -7.278 10 HG13 ILE 2 HG13 ILE 2 -1.491 0.490 -5.615 11 HG21 ILE 2 HG21 ILE 2 -5.644 0.888 -6.678 12 HG22 ILE 2 HG22 ILE 2 -4.380 0.740 -7.929 13 HG23 ILE 2 HG23 ILE 2 -4.816 -0.632 -6.858 14 HD11 ILE 2 HD11 ILE 2 -1.287 -1.807 -6.165 15 HD12 ILE 2 HD12 ILE 2 -2.586 -1.661 -4.955 16 HD13 ILE 2 HD13 ILE 2 -2.984 -1.956 -6.666 17 H VAL 3 H VAL 3 -4.201 2.891 -8.297 18 HA VAL 3 HA VAL 3 -2.035 2.883 -9.964 19 HB VAL 3 HB VAL 3 -4.059 5.144 -10.111 20 HG11 VAL 3 HG11 VAL 3 -2.749 3.363 -12.221 21 HG12 VAL 3 HG12 VAL 3 -3.892 4.694 -12.544 22 HG13 VAL 3 HG13 VAL 3 -2.299 5.047 -11.868 23 HG21 VAL 3 HG21 VAL 3 -4.592 2.248 -10.831 24 HG22 VAL 3 HG22 VAL 3 -5.479 3.226 -9.644 25 HG23 VAL 3 HG23 VAL 3 -5.575 3.614 -11.361 26 H GLU 4 H GLU 4 -2.951 5.581 -7.765 27 HA GLU 4 HA GLU 4 -1.082 7.418 -8.825 28 HB2 GLU 4 HB2 GLU 4 -3.015 7.990 -7.372 29 HB3 GLU 4 HB3 GLU 4 -2.215 7.226 -5.995 30 HG2 GLU 4 HG2 GLU 4 -0.391 8.883 -6.117 31 HG3 GLU 4 HG3 GLU 4 -1.089 9.591 -7.570 32 H GLN 5 H GLN 5 -0.707 4.854 -6.425 33 HA GLN 5 HA GLN 5 2.015 5.548 -5.642 34 HB2 GLN 5 HB2 GLN 5 0.296 4.220 -4.288 35 HB3 GLN 5 HB3 GLN 5 0.571 2.874 -5.353 36 HG2 GLN 5 HG2 GLN 5 1.884 2.576 -3.347 37 HG3 GLN 5 HG3 GLN 5 2.940 2.745 -4.733 38 HE21 GLN 5 HE21 GLN 5 4.212 4.767 -4.945 39 HE22 GLN 5 HE22 GLN 5 4.459 5.761 -3.529 40 H CYS 6 H CYS 6 0.510 3.039 -7.617 41 HA CYS 6 HA CYS 6 2.962 1.813 -8.514 42 HB2 CYS 6 HB2 CYS 6 0.227 1.484 -9.673 43 HB3 CYS 6 HB3 CYS 6 1.653 0.477 -9.940 44 H CYS 7 H CYS 7 1.111 4.458 -9.987 45 HA CYS 7 HA CYS 7 2.541 4.119 -12.507 46 HB2 CYS 7 HB2 CYS 7 0.216 4.909 -12.395 47 HB3 CYS 7 HB3 CYS 7 0.664 6.287 -11.449 48 H THR 8 H THR 8 2.898 6.092 -9.576 49 HA THR 8 HA THR 8 5.071 7.747 -10.699 50 HB THR 8 HB THR 8 5.204 8.730 -8.464 51 HG1 THR 8 HG1 THR 8 2.908 7.430 -7.625 52 HG21 THR 8 HG21 THR 8 2.964 9.738 -8.381 53 HG22 THR 8 HG22 THR 8 2.351 8.489 -9.503 54 HG23 THR 8 HG23 THR 8 3.582 9.645 -10.046 55 H SER 9 H SER 9 4.684 5.020 -8.463 56 HA SER 9 HA SER 9 7.642 4.637 -8.422 57 HB2 SER 9 HB2 SER 9 6.010 3.972 -5.990 58 HB3 SER 9 HB3 SER 9 7.722 4.326 -6.130 59 HG SER 9 HG SER 9 5.673 6.273 -6.515 60 H ILE 10 H ILE 10 8.104 2.366 -7.404 61 HA ILE 10 HA ILE 10 6.846 0.537 -9.227 62 HB ILE 10 HB ILE 10 8.468 -1.120 -8.319 63 HG12 ILE 10 HG12 ILE 10 9.345 1.269 -6.584 64 HG13 ILE 10 HG13 ILE 10 8.629 -0.228 -6.003 65 HG21 ILE 10 HG21 ILE 10 8.824 0.427 -10.256 66 HG22 ILE 10 HG22 ILE 10 9.622 1.574 -9.170 67 HG23 ILE 10 HG23 ILE 10 10.334 -0.029 -9.446 68 HD11 ILE 10 HD11 ILE 10 10.626 -1.465 -6.822 69 HD12 ILE 10 HD12 ILE 10 11.338 0.099 -7.313 70 HD13 ILE 10 HD13 ILE 10 10.985 -0.217 -5.607 71 H CYS 11 H CYS 11 5.734 -1.268 -8.983 72 HA CYS 11 HA CYS 11 4.631 -2.109 -6.350 73 HB2 CYS 11 HB2 CYS 11 3.104 -1.423 -8.872 74 HB3 CYS 11 HB3 CYS 11 2.451 -2.464 -7.609 75 H SER 12 H SER 12 3.447 -4.185 -6.625 76 HA SER 12 HA SER 12 4.384 -6.230 -8.483 77 HB2 SER 12 HB2 SER 12 6.343 -6.121 -7.108 78 HB3 SER 12 HB3 SER 12 5.402 -5.968 -5.623 79 HG SER 12 HG SER 12 6.289 -8.071 -5.947 80 H LEU 13 H LEU 13 3.533 -8.452 -7.120 81 HA LEU 13 HA LEU 13 0.663 -8.080 -6.866 82 HB2 LEU 13 HB2 LEU 13 0.846 -10.487 -5.752 83 HB3 LEU 13 HB3 LEU 13 0.915 -10.263 -7.462 84 HG LEU 13 HG LEU 13 3.366 -10.446 -7.456 85 HD11 LEU 13 HD11 LEU 13 3.965 -9.796 -5.184 86 HD12 LEU 13 HD12 LEU 13 4.451 -11.464 -5.445 87 HD13 LEU 13 HD13 LEU 13 2.980 -11.117 -4.508 88 HD21 LEU 13 HD21 LEU 13 1.905 -12.381 -7.887 89 HD22 LEU 13 HD22 LEU 13 1.857 -12.744 -6.144 90 HD23 LEU 13 HD23 LEU 13 3.384 -12.877 -7.050 91 H TYR 14 H TYR 14 3.305 -7.921 -4.690 92 HA TYR 14 HA TYR 14 2.221 -7.833 -2.103 93 HB2 TYR 14 HB2 TYR 14 4.526 -7.748 -2.485 94 HB3 TYR 14 HB3 TYR 14 4.395 -6.490 -3.697 95 HD1 TYR 14 HD1 TYR 14 3.496 -6.877 -0.068 96 HD2 TYR 14 HD2 TYR 14 5.275 -4.491 -3.167 97 HE1 TYR 14 HE1 TYR 14 3.978 -5.101 1.604 98 HE2 TYR 14 HE2 TYR 14 5.796 -2.688 -1.482 99 HH TYR 14 HH TYR 14 4.867 -2.997 1.968 100 H GLN 15 H GLN 15 1.785 -5.390 -4.755 101 HA GLN 15 HA GLN 15 0.048 -3.809 -2.913 102 HB2 GLN 15 HB2 GLN 15 1.319 -3.102 -5.568 103 HB3 GLN 15 HB3 GLN 15 0.448 -2.004 -4.488 104 HG2 GLN 15 HG2 GLN 15 3.018 -3.468 -3.650 105 HG3 GLN 15 HG3 GLN 15 3.008 -1.977 -4.487 106 HE21 GLN 15 HE21 GLN 15 1.837 -3.577 -1.462 107 HE22 GLN 15 HE22 GLN 15 1.832 -2.088 -0.526 108 H LEU 16 H LEU 16 0.168 -5.187 -6.234 109 HA LEU 16 HA LEU 16 -2.480 -4.312 -6.971 110 HB2 LEU 16 HB2 LEU 16 -0.501 -6.306 -8.055 111 HB3 LEU 16 HB3 LEU 16 -2.091 -6.049 -8.803 112 HG LEU 16 HG LEU 16 -0.180 -5.008 -9.919 113 HD11 LEU 16 HD11 LEU 16 -1.436 -3.034 -10.535 114 HD12 LEU 16 HD12 LEU 16 -2.203 -2.967 -8.936 115 HD13 LEU 16 HD13 LEU 16 -2.623 -4.247 -10.089 116 HD21 LEU 16 HD21 LEU 16 1.085 -4.127 -8.075 117 HD22 LEU 16 HD22 LEU 16 -0.260 -3.052 -7.623 118 HD23 LEU 16 HD23 LEU 16 0.600 -2.813 -9.162 119 H GLU 17 H GLU 17 -1.477 -7.303 -5.245 120 HA GLU 17 HA GLU 17 -3.877 -8.689 -6.098 121 HB2 GLU 17 HB2 GLU 17 -1.579 -9.662 -5.292 122 HB3 GLU 17 HB3 GLU 17 -2.351 -9.599 -3.688 123 HG2 GLU 17 HG2 GLU 17 -4.307 -10.882 -4.815 124 HG3 GLU 17 HG3 GLU 17 -3.272 -11.018 -6.230 125 H ASN 18 H ASN 18 -3.524 -6.161 -4.129 126 HA ASN 18 HA ASN 18 -5.769 -6.655 -2.284 127 HB2 ASN 18 HB2 ASN 18 -4.272 -4.117 -3.102 128 HB3 ASN 18 HB3 ASN 18 -5.582 -4.135 -1.953 129 HD21 ASN 18 HD21 ASN 18 -2.222 -4.649 -2.384 130 HD22 ASN 18 HD22 ASN 18 -1.864 -5.215 -0.752 131 H TYR 19 H TYR 19 -5.458 -5.811 -5.689 132 HA TYR 19 HA TYR 19 -8.031 -4.321 -5.741 133 HB2 TYR 19 HB2 TYR 19 -6.031 -5.342 -7.757 134 HB3 TYR 19 HB3 TYR 19 -7.629 -4.840 -8.255 135 HD1 TYR 19 HD1 TYR 19 -8.403 -2.459 -7.359 136 HD2 TYR 19 HD2 TYR 19 -4.415 -3.848 -8.074 137 HE1 TYR 19 HE1 TYR 19 -7.901 -0.353 -8.633 138 HE2 TYR 19 HE2 TYR 19 -3.978 -1.966 -9.570 139 HH TYR 19 HH TYR 19 -4.936 -0.086 -10.589 140 H CYS 20 H CYS 20 -6.832 -7.603 -6.374 141 HA CYS 20 HA CYS 20 -8.825 -8.522 -7.937 142 HB2 CYS 20 HB2 CYS 20 -7.633 -10.273 -5.799 143 HB3 CYS 20 HB3 CYS 20 -8.226 -10.721 -7.422 144 H ASN 21 H ASN 21 -10.771 -9.727 -7.681 145 HA ASN 21 HA ASN 21 -12.348 -8.676 -5.531 146 HB2 ASN 21 HB2 ASN 21 -12.845 -8.545 -7.994 147 HB3 ASN 21 HB3 ASN 21 -13.063 -10.302 -8.020 148 HD21 ASN 21 HD21 ASN 21 -15.130 -9.603 -8.977 149 HD22 ASN 21 HD22 ASN 21 -16.424 -9.212 -7.863 150 H SER 22 H SER 22 -10.746 -10.437 -4.328 151 HA SER 22 HA SER 22 -11.532 -13.186 -4.216 152 HB2 SER 22 HB2 SER 22 -9.945 -11.542 -2.218 153 HB3 SER 22 HB3 SER 22 -10.019 -13.316 -2.295 154 HG SER 22 HG SER 22 -8.181 -12.530 -3.431 155 H1 PHE 1 H1 PHE 1 8.754 -12.924 -7.812 156 H2 PHE 1 H2 PHE 1 9.346 -11.483 -7.290 157 H3 PHE 1 H3 PHE 1 9.945 -12.173 -8.647 158 HA PHE 1 HA PHE 1 7.896 -11.883 -9.821 159 HB2 PHE 1 HB2 PHE 1 6.547 -12.056 -7.622 160 HB3 PHE 1 HB3 PHE 1 6.884 -10.350 -7.400 161 HD1 PHE 1 HD1 PHE 1 5.084 -12.887 -9.417 162 HD2 PHE 1 HD2 PHE 1 5.775 -8.657 -8.863 163 HE1 PHE 1 HE1 PHE 1 3.073 -12.372 -10.769 164 HE2 PHE 1 HE2 PHE 1 3.768 -8.160 -10.232 165 HZ PHE 1 HZ PHE 1 2.402 -10.013 -11.151 166 H VAL 2 H VAL 2 7.322 -9.929 -10.941 167 HA VAL 2 HA VAL 2 9.688 -8.285 -11.187 168 HB VAL 2 HB VAL 2 8.552 -9.194 -13.104 169 HG11 VAL 2 HG11 VAL 2 6.249 -7.274 -12.601 170 HG12 VAL 2 HG12 VAL 2 6.478 -8.330 -13.999 171 HG13 VAL 2 HG13 VAL 2 6.171 -9.034 -12.403 172 HG21 VAL 2 HG21 VAL 2 8.628 -7.210 -14.512 173 HG22 VAL 2 HG22 VAL 2 8.516 -6.157 -13.090 174 HG23 VAL 2 HG23 VAL 2 9.939 -7.194 -13.316 175 H LYS 3 H LYS 3 10.139 -6.437 -10.229 176 HA LYS 3 HA LYS 3 8.009 -4.701 -9.097 177 HB2 LYS 3 HB2 LYS 3 11.033 -4.450 -8.940 178 HB3 LYS 3 HB3 LYS 3 9.845 -3.450 -8.092 179 HG2 LYS 3 HG2 LYS 3 9.026 -5.450 -6.862 180 HG3 LYS 3 HG3 LYS 3 10.182 -6.466 -7.737 181 HD2 LYS 3 HD2 LYS 3 12.051 -5.042 -6.781 182 HD3 LYS 3 HD3 LYS 3 10.826 -4.269 -5.735 183 HE2 LYS 3 HE2 LYS 3 10.197 -6.522 -4.867 184 HE3 LYS 3 HE3 LYS 3 11.368 -7.265 -5.959 185 HZ1 LYS 3 HZ1 LYS 3 12.269 -7.021 -3.709 186 HZ2 LYS 3 HZ2 LYS 3 12.065 -5.401 -3.746 187 HZ3 LYS 3 HZ3 LYS 3 13.142 -6.110 -4.749 188 H GLN 4 H GLN 4 7.160 -3.139 -10.254 189 HA GLN 4 HA GLN 4 8.643 -1.641 -12.329 190 HB2 GLN 4 HB2 GLN 4 6.828 -2.320 -14.017 191 HB3 GLN 4 HB3 GLN 4 8.108 -3.475 -13.690 192 HG2 GLN 4 HG2 GLN 4 6.678 -4.865 -12.353 193 HG3 GLN 4 HG3 GLN 4 5.446 -3.639 -12.248 194 HE21 GLN 4 HE21 GLN 4 3.949 -5.744 -14.757 195 HE22 GLN 4 HE22 GLN 4 4.047 -5.484 -13.016 196 H HIS 5 H HIS 5 7.319 0.042 -13.357 197 HA HIS 5 HA HIS 5 5.154 1.047 -11.589 198 HB2 HIS 5 HB2 HIS 5 5.907 3.304 -11.900 199 HB3 HIS 5 HB3 HIS 5 7.038 2.279 -11.023 200 HD1 HIS 5 HD1 HIS 5 8.476 4.685 -11.856 201 HD2 HIS 5 HD2 HIS 5 7.813 1.511 -14.549 202 HE1 HIS 5 HE1 HIS 5 10.226 4.923 -13.690 203 H LEU 6 H LEU 6 3.311 1.572 -12.458 204 HA LEU 6 HA LEU 6 2.988 1.728 -15.413 205 HB2 LEU 6 HB2 LEU 6 1.320 -0.053 -13.657 206 HB3 LEU 6 HB3 LEU 6 1.459 -0.076 -15.371 207 HG LEU 6 HG LEU 6 2.337 -1.993 -14.738 208 HD11 LEU 6 HD11 LEU 6 4.341 -2.240 -15.613 209 HD12 LEU 6 HD12 LEU 6 5.055 -0.875 -14.773 210 HD13 LEU 6 HD13 LEU 6 4.008 -0.597 -16.178 211 HD21 LEU 6 HD21 LEU 6 3.925 -0.879 -12.457 212 HD22 LEU 6 HD22 LEU 6 3.747 -2.563 -12.973 213 HD23 LEU 6 HD23 LEU 6 2.355 -1.688 -12.370 214 H CYS 7 H CYS 7 1.108 2.664 -16.103 215 HA CYS 7 HA CYS 7 -0.825 3.847 -14.151 216 HB2 CYS 7 HB2 CYS 7 0.758 5.135 -16.231 217 HB3 CYS 7 HB3 CYS 7 -0.938 5.219 -16.645 218 H GLY 8 H GLY 8 -2.965 3.350 -14.561 219 HA2 GLY 8 HA2 GLY 8 -4.876 2.575 -15.594 220 HA3 GLY 8 HA3 GLY 8 -4.205 3.298 -17.052 221 H SER 9 H SER 9 -3.761 1.946 -18.737 222 HA SER 9 HA SER 9 -4.617 -0.770 -18.707 223 HB2 SER 9 HB2 SER 9 -2.721 0.598 -20.683 224 HB3 SER 9 HB3 SER 9 -3.719 -0.825 -21.005 225 HG SER 9 HG SER 9 -5.574 0.472 -20.769 226 H HIS 10 H HIS 10 -1.266 0.543 -18.413 227 HA HIS 10 HA HIS 10 -0.112 -2.168 -18.390 228 HB2 HIS 10 HB2 HIS 10 1.028 0.531 -17.607 229 HB3 HIS 10 HB3 HIS 10 1.929 -0.982 -17.514 230 HD1 HIS 10 HD1 HIS 10 1.888 -2.342 -20.158 231 HD2 HIS 10 HD2 HIS 10 1.005 1.756 -19.820 232 HE1 HIS 10 HE1 HIS 10 2.164 -1.362 -22.499 233 H LEU 11 H LEU 11 -1.573 0.010 -16.033 234 HA LEU 11 HA LEU 11 -0.366 -1.402 -13.805 235 HB2 LEU 11 HB2 LEU 11 -1.163 1.057 -13.910 236 HB3 LEU 11 HB3 LEU 11 -2.780 0.410 -13.672 237 HG LEU 11 HG LEU 11 -1.280 1.348 -11.671 238 HD11 LEU 11 HD11 LEU 11 -2.930 -1.183 -11.456 239 HD12 LEU 11 HD12 LEU 11 -3.562 0.466 -11.605 240 HD13 LEU 11 HD13 LEU 11 -2.632 0.010 -10.159 241 HD21 LEU 11 HD21 LEU 11 0.616 -0.158 -11.679 242 HD22 LEU 11 HD22 LEU 11 -0.422 -1.591 -11.766 243 HD23 LEU 11 HD23 LEU 11 -0.416 -0.643 -10.318 244 H VAL 12 H VAL 12 -3.480 -1.468 -15.524 245 HA VAL 12 HA VAL 12 -4.505 -3.778 -14.188 246 HB VAL 12 HB VAL 12 -4.970 -2.715 -17.001 247 HG11 VAL 12 HG11 VAL 12 -5.434 -5.088 -17.198 248 HG12 VAL 12 HG12 VAL 12 -6.293 -5.102 -15.646 249 HG13 VAL 12 HG13 VAL 12 -6.974 -4.242 -17.058 250 HG21 VAL 12 HG21 VAL 12 -6.721 -2.829 -14.507 251 HG22 VAL 12 HG22 VAL 12 -5.872 -1.384 -15.091 252 HG23 VAL 12 HG23 VAL 12 -7.165 -2.096 -16.063 253 H GLU 13 H GLU 13 -2.016 -3.438 -16.802 254 HA GLU 13 HA GLU 13 -1.938 -6.230 -17.461 255 HB2 GLU 13 HB2 GLU 13 -0.979 -4.314 -18.779 256 HB3 GLU 13 HB3 GLU 13 0.360 -4.266 -17.622 257 HG2 GLU 13 HG2 GLU 13 1.073 -6.494 -18.255 258 HG3 GLU 13 HG3 GLU 13 -0.350 -6.684 -19.289 259 H ALA 14 H ALA 14 -0.690 -4.474 -14.673 260 HA ALA 14 HA ALA 14 0.871 -6.796 -13.681 261 HB1 ALA 14 HB1 ALA 14 1.208 -5.386 -11.738 262 HB2 ALA 14 HB2 ALA 14 1.613 -4.443 -13.224 263 HB3 ALA 14 HB3 ALA 14 0.098 -4.144 -12.384 264 H LEU 15 H LEU 15 -2.089 -4.946 -12.767 265 HA LEU 15 HA LEU 15 -3.143 -6.419 -10.741 266 HB2 LEU 15 HB2 LEU 15 -3.842 -4.284 -12.188 267 HB3 LEU 15 HB3 LEU 15 -4.914 -5.447 -12.972 268 HG LEU 15 HG LEU 15 -4.773 -4.652 -10.080 269 HD11 LEU 15 HD11 LEU 15 -7.038 -3.740 -10.597 270 HD12 LEU 15 HD12 LEU 15 -6.796 -4.214 -12.303 271 HD13 LEU 15 HD13 LEU 15 -5.764 -2.989 -11.566 272 HD21 LEU 15 HD21 LEU 15 -6.372 -6.798 -11.428 273 HD22 LEU 15 HD22 LEU 15 -6.841 -6.054 -9.874 274 HD23 LEU 15 HD23 LEU 15 -5.313 -6.881 -9.997 275 H TYR 16 H TYR 16 -3.740 -6.983 -14.173 276 HA TYR 16 HA TYR 16 -5.521 -9.239 -13.999 277 HB2 TYR 16 HB2 TYR 16 -5.103 -7.464 -15.832 278 HB3 TYR 16 HB3 TYR 16 -3.689 -8.385 -16.309 279 HD1 TYR 16 HD1 TYR 16 -4.551 -11.168 -16.525 280 HD2 TYR 16 HD2 TYR 16 -6.691 -7.521 -17.413 281 HE1 TYR 16 HE1 TYR 16 -6.085 -12.443 -17.936 282 HE2 TYR 16 HE2 TYR 16 -8.237 -8.823 -18.889 283 HH TYR 16 HH TYR 16 -8.010 -12.389 -19.226 284 H LEU 17 H LEU 17 -2.009 -9.003 -14.013 285 HA LEU 17 HA LEU 17 -1.556 -11.852 -14.584 286 HB2 LEU 17 HB2 LEU 17 -0.028 -10.027 -15.328 287 HB3 LEU 17 HB3 LEU 17 0.204 -9.506 -13.693 288 HG LEU 17 HG LEU 17 1.290 -11.537 -13.014 289 HD11 LEU 17 HD11 LEU 17 0.341 -13.193 -14.577 290 HD12 LEU 17 HD12 LEU 17 2.100 -13.161 -14.736 291 HD13 LEU 17 HD13 LEU 17 1.090 -12.353 -15.955 292 HD21 LEU 17 HD21 LEU 17 3.396 -11.175 -14.241 293 HD22 LEU 17 HD22 LEU 17 2.611 -9.632 -13.856 294 HD23 LEU 17 HD23 LEU 17 2.522 -10.281 -15.505 295 H VAL 18 H VAL 18 -1.411 -9.538 -11.954 296 HA VAL 18 HA VAL 18 -0.512 -11.148 -9.781 297 HB VAL 18 HB VAL 18 -2.044 -8.521 -10.070 298 HG11 VAL 18 HG11 VAL 18 -1.269 -10.038 -7.582 299 HG12 VAL 18 HG12 VAL 18 -1.315 -8.277 -7.618 300 HG13 VAL 18 HG13 VAL 18 -2.780 -9.193 -7.984 301 HG21 VAL 18 HG21 VAL 18 0.445 -8.834 -10.779 302 HG22 VAL 18 HG22 VAL 18 0.068 -7.505 -9.716 303 HG23 VAL 18 HG23 VAL 18 0.802 -8.979 -9.088 304 H CYS 19 H CYS 19 -3.717 -10.297 -10.985 305 HA CYS 19 HA CYS 19 -5.121 -12.021 -9.028 306 HB2 CYS 19 HB2 CYS 19 -6.113 -10.484 -11.433 307 HB3 CYS 19 HB3 CYS 19 -7.143 -11.320 -10.260 308 H GLY 20 H GLY 20 -3.776 -12.342 -12.236 309 HA2 GLY 20 HA2 GLY 20 -3.725 -14.025 -13.748 310 HA3 GLY 20 HA3 GLY 20 -3.887 -15.152 -12.376 311 H GLU 21 H GLU 21 -6.084 -12.760 -13.823 312 HA GLU 21 HA GLU 21 -8.212 -12.772 -14.474 313 HB2 GLU 21 HB2 GLU 21 -7.008 -14.383 -16.134 314 HB3 GLU 21 HB3 GLU 21 -8.066 -15.613 -15.439 315 HG2 GLU 21 HG2 GLU 21 -10.048 -14.271 -16.108 316 HG3 GLU 21 HG3 GLU 21 -8.986 -12.973 -16.677 317 H ARG 22 H ARG 22 -7.620 -14.046 -11.657 318 HA ARG 22 HA ARG 22 -10.094 -15.392 -10.950 319 HB2 ARG 22 HB2 ARG 22 -8.124 -13.731 -9.328 320 HB3 ARG 22 HB3 ARG 22 -9.540 -14.495 -8.617 321 HG2 ARG 22 HG2 ARG 22 -8.795 -16.709 -9.210 322 HG3 ARG 22 HG3 ARG 22 -7.388 -16.083 -10.077 323 HD2 ARG 22 HD2 ARG 22 -7.908 -15.587 -7.110 324 HD3 ARG 22 HD3 ARG 22 -6.974 -16.961 -7.722 325 HE ARG 22 HE ARG 22 -5.775 -14.802 -8.928 326 HH11 ARG 22 HH11 ARG 22 -6.354 -15.452 -5.485 327 HH12 ARG 22 HH12 ARG 22 -4.900 -14.550 -5.056 328 HH21 ARG 22 HH21 ARG 22 -3.863 -13.756 -8.120 329 HH22 ARG 22 HH22 ARG 22 -3.683 -13.709 -6.381 330 H GLY 23 H GLY 23 -9.479 -12.123 -11.734 331 HA2 GLY 23 HA2 GLY 23 -11.202 -10.585 -12.290 332 HA3 GLY 23 HA3 GLY 23 -12.279 -11.303 -11.096 333 H PHE 24 H PHE 24 -11.732 -8.576 -11.410 334 HA PHE 24 HA PHE 24 -10.731 -7.572 -8.843 335 HB2 PHE 24 HB2 PHE 24 -8.931 -6.303 -9.914 336 HB3 PHE 24 HB3 PHE 24 -8.634 -8.027 -9.936 337 HD1 PHE 24 HD1 PHE 24 -8.945 -5.068 -11.953 338 HD2 PHE 24 HD2 PHE 24 -8.751 -9.362 -12.040 339 HE1 PHE 24 HE1 PHE 24 -8.259 -4.985 -14.363 340 HE2 PHE 24 HE2 PHE 24 -8.225 -9.301 -14.459 341 HZ PHE 24 HZ PHE 24 -7.987 -7.101 -15.618 342 H PHE 25 H PHE 25 -10.668 -5.296 -8.712 343 HA PHE 25 HA PHE 25 -12.479 -3.728 -10.506 344 HB2 PHE 25 HB2 PHE 25 -13.232 -3.888 -8.163 345 HB3 PHE 25 HB3 PHE 25 -11.653 -3.378 -7.588 346 HD1 PHE 25 HD1 PHE 25 -11.016 -1.033 -7.566 347 HD2 PHE 25 HD2 PHE 25 -14.754 -2.278 -9.314 348 HE1 PHE 25 HE1 PHE 25 -11.811 1.319 -7.541 349 HE2 PHE 25 HE2 PHE 25 -15.553 0.072 -9.283 350 HZ PHE 25 HZ PHE 25 -14.098 1.873 -8.377 351 H TYR 26 H TYR 26 -11.561 -1.681 -11.266 352 HA TYR 26 HA TYR 26 -8.671 -1.205 -10.777 353 HB2 TYR 26 HB2 TYR 26 -8.116 -1.403 -13.169 354 HB3 TYR 26 HB3 TYR 26 -8.610 -2.896 -12.424 355 HD1 TYR 26 HD1 TYR 26 -10.617 -4.064 -13.032 356 HD2 TYR 26 HD2 TYR 26 -9.576 -0.316 -14.881 357 HE1 TYR 26 HE1 TYR 26 -12.365 -4.451 -14.770 358 HE2 TYR 26 HE2 TYR 26 -11.305 -0.710 -16.651 359 HH TYR 26 HH TYR 26 -13.380 -3.628 -16.676 360 H THR 27 H THR 27 -11.432 0.414 -10.766 361 HA THR 27 HA THR 27 -11.050 2.558 -12.606 362 HB THR 27 HB THR 27 -12.401 2.622 -9.907 363 HG1 THR 27 HG1 THR 27 -14.239 2.190 -11.147 364 HG21 THR 27 HG21 THR 27 -12.089 4.914 -10.733 365 HG22 THR 27 HG22 THR 27 -13.781 4.438 -10.937 366 HG23 THR 27 HG23 THR 27 -12.699 4.442 -12.341 367 HA PRO 28 HA PRO 28 -7.598 4.580 -10.462 368 HB2 PRO 28 HB2 PRO 28 -8.197 6.838 -12.375 369 HB3 PRO 28 HB3 PRO 28 -6.634 6.052 -11.982 370 HG2 PRO 28 HG2 PRO 28 -7.931 5.480 -14.281 371 HG3 PRO 28 HG3 PRO 28 -7.198 4.153 -13.324 372 HD2 PRO 28 HD2 PRO 28 -10.099 5.078 -13.320 373 HD3 PRO 28 HD3 PRO 28 -9.431 3.424 -13.520 374 H LYS 29 H LYS 29 -9.084 4.613 -8.606 375 HA LYS 29 HA LYS 29 -10.624 7.001 -7.983 376 HB2 LYS 29 HB2 LYS 29 -9.868 4.496 -6.431 377 HB3 LYS 29 HB3 LYS 29 -10.777 5.805 -5.693 378 HG2 LYS 29 HG2 LYS 29 -11.673 4.328 -8.198 379 HG3 LYS 29 HG3 LYS 29 -12.189 3.913 -6.565 380 HD2 LYS 29 HD2 LYS 29 -12.710 6.602 -7.899 381 HD3 LYS 29 HD3 LYS 29 -13.858 5.267 -7.828 382 HE2 LYS 29 HE2 LYS 29 -14.091 5.396 -5.464 383 HE3 LYS 29 HE3 LYS 29 -12.656 6.412 -5.284 384 HZ1 LYS 29 HZ1 LYS 29 -14.727 7.688 -5.128 385 HZ2 LYS 29 HZ2 LYS 29 -15.111 7.318 -6.675 386 HZ3 LYS 29 HZ3 LYS 29 -13.774 8.221 -6.334 387 H THR 30 H THR 30 -8.776 8.411 -8.515 388 HA THR 30 HA THR 30 -6.963 9.073 -6.272 389 HB THR 30 HB THR 30 -6.458 11.090 -7.642 390 HG1 THR 30 HG1 THR 30 -7.351 11.182 -9.719 391 HG21 THR 30 HG21 THR 30 -6.352 8.507 -9.272 392 HG22 THR 30 HG22 THR 30 -5.206 8.960 -7.991 393 HG23 THR 30 HG23 THR 30 -5.321 9.943 -9.463 394 H ARG 31 H ARG 31 -10.209 9.825 -7.234 395 HA ARG 31 HA ARG 31 -10.644 11.506 -4.824 396 HB2 ARG 31 HB2 ARG 31 -11.677 12.130 -7.635 397 HB3 ARG 31 HB3 ARG 31 -12.235 12.903 -6.147 398 HG2 ARG 31 HG2 ARG 31 -9.931 13.763 -5.727 399 HG3 ARG 31 HG3 ARG 31 -9.396 13.051 -7.265 400 HD2 ARG 31 HD2 ARG 31 -11.045 14.414 -8.490 401 HD3 ARG 31 HD3 ARG 31 -11.586 15.154 -6.985 402 HE ARG 31 HE ARG 31 -9.105 15.684 -8.473 403 HH11 ARG 31 HH11 ARG 31 -7.850 17.422 -7.897 404 HH12 ARG 31 HH12 ARG 31 -8.111 18.217 -6.375 405 HH21 ARG 31 HH21 ARG 31 -9.692 17.575 -5.007 406 HH22 ARG 31 HH22 ARG 31 -10.722 16.221 -5.409 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -7.371 4.814 -2.906 2 H2 GLY 1 H2 GLY 1 -5.781 5.166 -2.687 3 H3 GLY 1 H3 GLY 1 -6.291 3.612 -2.654 4 HA2 GLY 1 HA2 GLY 1 -6.900 3.686 -4.988 5 HA3 GLY 1 HA3 GLY 1 -6.375 5.381 -5.021 6 H ILE 2 H ILE 2 -5.405 2.625 -6.257 7 HA ILE 2 HA ILE 2 -2.657 2.501 -5.132 8 HB ILE 2 HB ILE 2 -3.881 0.468 -5.108 9 HG12 ILE 2 HG12 ILE 2 -1.948 0.252 -7.451 10 HG13 ILE 2 HG13 ILE 2 -1.418 0.462 -5.774 11 HG21 ILE 2 HG21 ILE 2 -5.542 0.967 -6.908 12 HG22 ILE 2 HG22 ILE 2 -4.249 0.848 -8.125 13 HG23 ILE 2 HG23 ILE 2 -4.747 -0.568 -7.128 14 HD11 ILE 2 HD11 ILE 2 -2.516 -1.686 -5.180 15 HD12 ILE 2 HD12 ILE 2 -2.913 -1.947 -6.895 16 HD13 ILE 2 HD13 ILE 2 -1.212 -1.833 -6.373 17 H VAL 3 H VAL 3 -4.154 2.966 -8.377 18 HA VAL 3 HA VAL 3 -2.044 3.404 -10.002 19 HB VAL 3 HB VAL 3 -4.287 5.437 -9.730 20 HG11 VAL 3 HG11 VAL 3 -4.084 5.617 -12.185 21 HG12 VAL 3 HG12 VAL 3 -2.568 6.029 -11.397 22 HG13 VAL 3 HG13 VAL 3 -2.754 4.435 -12.170 23 HG21 VAL 3 HG21 VAL 3 -4.421 2.705 -11.052 24 HG22 VAL 3 HG22 VAL 3 -5.463 3.329 -9.756 25 HG23 VAL 3 HG23 VAL 3 -5.548 4.007 -11.379 26 H GLU 4 H GLU 4 -2.996 5.706 -7.450 27 HA GLU 4 HA GLU 4 -1.140 7.671 -8.313 28 HB2 GLU 4 HB2 GLU 4 -3.011 8.157 -6.783 29 HB3 GLU 4 HB3 GLU 4 -2.264 7.178 -5.510 30 HG2 GLU 4 HG2 GLU 4 -0.380 8.726 -5.366 31 HG3 GLU 4 HG3 GLU 4 -0.950 9.621 -6.777 32 H GLN 5 H GLN 5 -0.688 4.795 -6.349 33 HA GLN 5 HA GLN 5 2.033 5.467 -5.492 34 HB2 GLN 5 HB2 GLN 5 0.377 4.113 -4.154 35 HB3 GLN 5 HB3 GLN 5 0.493 2.829 -5.314 36 HG2 GLN 5 HG2 GLN 5 1.898 2.357 -3.372 37 HG3 GLN 5 HG3 GLN 5 2.845 2.456 -4.846 38 HE21 GLN 5 HE21 GLN 5 4.175 4.452 -5.190 39 HE22 GLN 5 HE22 GLN 5 4.688 5.349 -3.769 40 H CYS 6 H CYS 6 0.476 3.092 -7.573 41 HA CYS 6 HA CYS 6 2.949 1.928 -8.539 42 HB2 CYS 6 HB2 CYS 6 0.123 1.482 -9.486 43 HB3 CYS 6 HB3 CYS 6 1.530 0.518 -9.936 44 H CYS 7 H CYS 7 1.014 4.560 -9.888 45 HA CYS 7 HA CYS 7 2.478 4.269 -12.440 46 HB2 CYS 7 HB2 CYS 7 0.129 4.963 -12.404 47 HB3 CYS 7 HB3 CYS 7 0.500 6.378 -11.477 48 H THR 8 H THR 8 2.793 6.108 -9.418 49 HA THR 8 HA THR 8 4.928 7.839 -10.531 50 HB THR 8 HB THR 8 5.010 8.860 -8.341 51 HG1 THR 8 HG1 THR 8 2.796 7.550 -7.375 52 HG21 THR 8 HG21 THR 8 3.339 9.626 -9.955 53 HG22 THR 8 HG22 THR 8 2.747 9.787 -8.285 54 HG23 THR 8 HG23 THR 8 2.151 8.463 -9.327 55 H SER 9 H SER 9 4.658 5.051 -8.348 56 HA SER 9 HA SER 9 7.582 4.632 -8.653 57 HB2 SER 9 HB2 SER 9 7.175 5.610 -6.435 58 HB3 SER 9 HB3 SER 9 6.130 4.222 -6.034 59 HG SER 9 HG SER 9 8.344 4.064 -5.309 60 H ILE 10 H ILE 10 7.880 2.327 -7.495 61 HA ILE 10 HA ILE 10 6.769 0.589 -9.564 62 HB ILE 10 HB ILE 10 8.636 -0.909 -8.886 63 HG12 ILE 10 HG12 ILE 10 9.145 1.291 -6.819 64 HG13 ILE 10 HG13 ILE 10 8.922 -0.422 -6.558 65 HG21 ILE 10 HG21 ILE 10 10.310 0.463 -9.944 66 HG22 ILE 10 HG22 ILE 10 8.736 0.854 -10.651 67 HG23 ILE 10 HG23 ILE 10 9.459 1.958 -9.474 68 HD11 ILE 10 HD11 ILE 10 11.215 0.174 -6.236 69 HD12 ILE 10 HD12 ILE 10 11.148 -0.756 -7.757 70 HD13 ILE 10 HD13 ILE 10 11.283 1.031 -7.769 71 H CYS 11 H CYS 11 5.692 -1.275 -9.367 72 HA CYS 11 HA CYS 11 4.759 -2.132 -6.655 73 HB2 CYS 11 HB2 CYS 11 3.130 -1.420 -9.086 74 HB3 CYS 11 HB3 CYS 11 2.521 -2.481 -7.815 75 H SER 12 H SER 12 3.590 -4.179 -6.668 76 HA SER 12 HA SER 12 4.466 -6.350 -8.449 77 HB2 SER 12 HB2 SER 12 6.364 -5.915 -6.846 78 HB3 SER 12 HB3 SER 12 5.255 -6.208 -5.500 79 HG SER 12 HG SER 12 6.501 -8.069 -6.138 80 H LEU 13 H LEU 13 3.600 -8.524 -7.210 81 HA LEU 13 HA LEU 13 0.803 -8.355 -6.935 82 HB2 LEU 13 HB2 LEU 13 2.231 -10.433 -5.305 83 HB3 LEU 13 HB3 LEU 13 0.789 -10.551 -6.268 84 HG LEU 13 HG LEU 13 2.680 -10.241 -8.263 85 HD11 LEU 13 HD11 LEU 13 3.995 -11.757 -5.961 86 HD12 LEU 13 HD12 LEU 13 4.567 -10.238 -6.674 87 HD13 LEU 13 HD13 LEU 13 4.571 -11.720 -7.635 88 HD21 LEU 13 HD21 LEU 13 1.925 -12.846 -6.887 89 HD22 LEU 13 HD22 LEU 13 2.563 -12.675 -8.541 90 HD23 LEU 13 HD23 LEU 13 0.970 -12.019 -8.136 91 H TYR 14 H TYR 14 3.332 -7.938 -4.545 92 HA TYR 14 HA TYR 14 1.929 -7.863 -2.124 93 HB2 TYR 14 HB2 TYR 14 4.533 -7.368 -3.069 94 HB3 TYR 14 HB3 TYR 14 4.054 -5.822 -2.422 95 HD1 TYR 14 HD1 TYR 14 4.637 -9.393 -1.707 96 HD2 TYR 14 HD2 TYR 14 3.707 -5.551 0.013 97 HE1 TYR 14 HE1 TYR 14 5.127 -10.296 0.571 98 HE2 TYR 14 HE2 TYR 14 4.212 -6.443 2.285 99 HH TYR 14 HH TYR 14 5.220 -9.847 2.826 100 H GLN 15 H GLN 15 1.782 -5.435 -4.724 101 HA GLN 15 HA GLN 15 0.059 -3.709 -3.010 102 HB2 GLN 15 HB2 GLN 15 1.414 -3.194 -5.679 103 HB3 GLN 15 HB3 GLN 15 0.569 -2.007 -4.681 104 HG2 GLN 15 HG2 GLN 15 3.058 -3.518 -3.692 105 HG3 GLN 15 HG3 GLN 15 3.131 -2.083 -4.618 106 HE21 GLN 15 HE21 GLN 15 1.777 -3.442 -1.543 107 HE22 GLN 15 HE22 GLN 15 1.832 -1.900 -0.695 108 H LEU 16 H LEU 16 0.230 -5.285 -6.237 109 HA LEU 16 HA LEU 16 -2.348 -4.395 -7.129 110 HB2 LEU 16 HB2 LEU 16 -0.404 -6.535 -7.975 111 HB3 LEU 16 HB3 LEU 16 -1.957 -6.291 -8.799 112 HG LEU 16 HG LEU 16 0.024 -5.354 -9.913 113 HD11 LEU 16 HD11 LEU 16 -2.511 -4.589 -10.072 114 HD12 LEU 16 HD12 LEU 16 -1.242 -3.653 -10.840 115 HD13 LEU 16 HD13 LEU 16 -1.899 -3.143 -9.262 116 HD21 LEU 16 HD21 LEU 16 1.238 -4.279 -8.134 117 HD22 LEU 16 HD22 LEU 16 -0.150 -3.235 -7.763 118 HD23 LEU 16 HD23 LEU 16 0.712 -3.059 -9.305 119 H GLU 17 H GLU 17 -1.480 -7.325 -5.260 120 HA GLU 17 HA GLU 17 -3.903 -8.703 -6.064 121 HB2 GLU 17 HB2 GLU 17 -1.617 -9.644 -5.197 122 HB3 GLU 17 HB3 GLU 17 -2.375 -9.475 -3.594 123 HG2 GLU 17 HG2 GLU 17 -4.330 -10.838 -4.591 124 HG3 GLU 17 HG3 GLU 17 -3.322 -11.053 -6.027 125 H ASN 18 H ASN 18 -3.528 -6.089 -4.205 126 HA ASN 18 HA ASN 18 -5.800 -6.459 -2.352 127 HB2 ASN 18 HB2 ASN 18 -4.212 -3.994 -3.230 128 HB3 ASN 18 HB3 ASN 18 -5.528 -3.948 -2.090 129 HD21 ASN 18 HD21 ASN 18 -2.189 -4.559 -2.503 130 HD22 ASN 18 HD22 ASN 18 -1.840 -5.084 -0.851 131 H TYR 19 H TYR 19 -5.421 -5.751 -5.783 132 HA TYR 19 HA TYR 19 -7.905 -4.121 -5.903 133 HB2 TYR 19 HB2 TYR 19 -5.987 -5.344 -7.888 134 HB3 TYR 19 HB3 TYR 19 -7.555 -4.772 -8.393 135 HD1 TYR 19 HD1 TYR 19 -8.182 -2.293 -7.677 136 HD2 TYR 19 HD2 TYR 19 -4.256 -3.940 -8.165 137 HE1 TYR 19 HE1 TYR 19 -7.494 -0.272 -8.972 138 HE2 TYR 19 HE2 TYR 19 -3.662 -2.141 -9.730 139 HH TYR 19 HH TYR 19 -6.063 0.452 -10.595 140 H CYS 20 H CYS 20 -6.879 -7.494 -6.414 141 HA CYS 20 HA CYS 20 -9.015 -8.283 -7.924 142 HB2 CYS 20 HB2 CYS 20 -7.783 -10.138 -5.901 143 HB3 CYS 20 HB3 CYS 20 -8.453 -10.511 -7.513 144 H ASN 21 H ASN 21 -11.089 -9.099 -7.552 145 HA ASN 21 HA ASN 21 -12.249 -8.358 -4.995 146 HB2 ASN 21 HB2 ASN 21 -14.313 -8.497 -5.996 147 HB3 ASN 21 HB3 ASN 21 -13.306 -8.147 -7.389 148 HD21 ASN 21 HD21 ASN 21 -12.367 -10.434 -8.375 149 HD22 ASN 21 HD22 ASN 21 -13.616 -11.640 -8.569 150 H SER 22 H SER 22 -11.001 -11.276 -6.210 151 HA SER 22 HA SER 22 -11.060 -13.500 -5.608 152 HB2 SER 22 HB2 SER 22 -10.322 -12.024 -3.075 153 HB3 SER 22 HB3 SER 22 -9.971 -13.738 -3.407 154 HG SER 22 HG SER 22 -8.238 -12.234 -4.008 155 H1 PHE 1 H1 PHE 1 8.446 -13.466 -9.396 156 H2 PHE 1 H2 PHE 1 9.436 -12.446 -8.577 157 H3 PHE 1 H3 PHE 1 9.792 -12.872 -10.115 158 HA PHE 1 HA PHE 1 7.870 -11.750 -10.968 159 HB2 PHE 1 HB2 PHE 1 6.706 -12.109 -8.623 160 HB3 PHE 1 HB3 PHE 1 7.388 -10.541 -8.233 161 HD1 PHE 1 HD1 PHE 1 5.051 -12.408 -10.426 162 HD2 PHE 1 HD2 PHE 1 6.417 -8.491 -9.236 163 HE1 PHE 1 HE1 PHE 1 3.072 -11.378 -11.513 164 HE2 PHE 1 HE2 PHE 1 4.483 -7.470 -10.391 165 HZ PHE 1 HZ PHE 1 2.785 -8.908 -11.507 166 H VAL 2 H VAL 2 7.833 -9.352 -11.365 167 HA VAL 2 HA VAL 2 10.385 -7.999 -10.606 168 HB VAL 2 HB VAL 2 10.513 -7.180 -12.980 169 HG11 VAL 2 HG11 VAL 2 11.759 -9.119 -13.758 170 HG12 VAL 2 HG12 VAL 2 12.060 -8.861 -12.035 171 HG13 VAL 2 HG13 VAL 2 10.962 -10.156 -12.556 172 HG21 VAL 2 HG21 VAL 2 9.561 -8.494 -14.773 173 HG22 VAL 2 HG22 VAL 2 8.787 -9.609 -13.633 174 HG23 VAL 2 HG23 VAL 2 8.232 -7.929 -13.748 175 H LYS 3 H LYS 3 10.380 -5.829 -10.443 176 HA LYS 3 HA LYS 3 7.713 -4.610 -10.057 177 HB2 LYS 3 HB2 LYS 3 10.417 -3.678 -9.039 178 HB3 LYS 3 HB3 LYS 3 8.819 -3.100 -8.540 179 HG2 LYS 3 HG2 LYS 3 8.300 -5.427 -7.729 180 HG3 LYS 3 HG3 LYS 3 9.977 -5.880 -8.046 181 HD2 LYS 3 HD2 LYS 3 9.067 -3.697 -6.138 182 HD3 LYS 3 HD3 LYS 3 9.574 -5.330 -5.686 183 HE2 LYS 3 HE2 LYS 3 11.824 -4.885 -6.695 184 HE3 LYS 3 HE3 LYS 3 11.312 -3.229 -7.058 185 HZ1 LYS 3 HZ1 LYS 3 11.488 -4.396 -4.329 186 HZ2 LYS 3 HZ2 LYS 3 11.008 -2.870 -4.663 187 HZ3 LYS 3 HZ3 LYS 3 12.545 -3.330 -4.972 188 H GLN 4 H GLN 4 6.936 -2.960 -11.148 189 HA GLN 4 HA GLN 4 8.679 -1.164 -12.777 190 HB2 GLN 4 HB2 GLN 4 6.110 -2.433 -13.798 191 HB3 GLN 4 HB3 GLN 4 7.091 -1.254 -14.638 192 HG2 GLN 4 HG2 GLN 4 7.456 -3.298 -15.713 193 HG3 GLN 4 HG3 GLN 4 8.936 -2.932 -14.815 194 HE21 GLN 4 HE21 GLN 4 5.783 -4.466 -13.780 195 HE22 GLN 4 HE22 GLN 4 6.606 -5.873 -13.094 196 H HIS 5 H HIS 5 7.660 0.835 -13.335 197 HA HIS 5 HA HIS 5 5.331 1.640 -11.691 198 HB2 HIS 5 HB2 HIS 5 5.781 3.900 -12.657 199 HB3 HIS 5 HB3 HIS 5 6.996 3.260 -11.554 200 HD1 HIS 5 HD1 HIS 5 9.386 3.799 -12.391 201 HD2 HIS 5 HD2 HIS 5 6.585 3.173 -15.467 202 HE1 HIS 5 HE1 HIS 5 10.659 4.073 -14.578 203 H LEU 6 H LEU 6 3.375 2.106 -12.610 204 HA LEU 6 HA LEU 6 2.855 1.553 -15.481 205 HB2 LEU 6 HB2 LEU 6 1.584 0.015 -13.175 206 HB3 LEU 6 HB3 LEU 6 1.370 -0.268 -14.876 207 HG LEU 6 HG LEU 6 4.018 -0.724 -13.532 208 HD11 LEU 6 HD11 LEU 6 3.430 -3.039 -13.356 209 HD12 LEU 6 HD12 LEU 6 1.790 -2.702 -13.949 210 HD13 LEU 6 HD13 LEU 6 2.346 -2.031 -12.396 211 HD21 LEU 6 HD21 LEU 6 2.890 -2.053 -16.011 212 HD22 LEU 6 HD22 LEU 6 4.521 -2.166 -15.375 213 HD23 LEU 6 HD23 LEU 6 3.986 -0.642 -16.089 214 H CYS 7 H CYS 7 1.091 2.599 -16.180 215 HA CYS 7 HA CYS 7 -0.812 3.874 -14.239 216 HB2 CYS 7 HB2 CYS 7 0.828 5.139 -16.246 217 HB3 CYS 7 HB3 CYS 7 -0.841 5.217 -16.775 218 H GLY 8 H GLY 8 -2.915 3.207 -14.508 219 HA2 GLY 8 HA2 GLY 8 -4.859 2.408 -15.475 220 HA3 GLY 8 HA3 GLY 8 -4.276 3.173 -16.960 221 H SER 9 H SER 9 -3.994 1.822 -18.663 222 HA SER 9 HA SER 9 -4.503 -0.921 -18.731 223 HB2 SER 9 HB2 SER 9 -2.659 0.702 -20.547 224 HB3 SER 9 HB3 SER 9 -3.454 -0.834 -20.968 225 HG SER 9 HG SER 9 -4.610 0.989 -21.772 226 H HIS 10 H HIS 10 -1.264 0.630 -18.295 227 HA HIS 10 HA HIS 10 0.228 -1.885 -18.407 228 HB2 HIS 10 HB2 HIS 10 0.838 0.802 -17.108 229 HB3 HIS 10 HB3 HIS 10 1.997 -0.503 -17.245 230 HD1 HIS 10 HD1 HIS 10 2.650 -1.084 -20.008 231 HD2 HIS 10 HD2 HIS 10 0.598 2.434 -18.995 232 HE1 HIS 10 HE1 HIS 10 2.884 0.469 -22.020 233 H LEU 11 H LEU 11 -1.401 -0.016 -15.882 234 HA LEU 11 HA LEU 11 -0.193 -1.455 -13.683 235 HB2 LEU 11 HB2 LEU 11 -1.438 0.948 -13.938 236 HB3 LEU 11 HB3 LEU 11 -2.813 -0.005 -13.426 237 HG LEU 11 HG LEU 11 -0.222 0.617 -11.949 238 HD11 LEU 11 HD11 LEU 11 -2.043 2.208 -11.802 239 HD12 LEU 11 HD12 LEU 11 -1.907 1.339 -10.240 240 HD13 LEU 11 HD13 LEU 11 -3.182 0.911 -11.377 241 HD21 LEU 11 HD21 LEU 11 -0.461 -1.676 -11.449 242 HD22 LEU 11 HD22 LEU 11 -2.224 -1.519 -11.266 243 HD23 LEU 11 HD23 LEU 11 -1.126 -0.791 -10.070 244 H VAL 12 H VAL 12 -3.265 -1.596 -15.450 245 HA VAL 12 HA VAL 12 -4.340 -3.950 -14.232 246 HB VAL 12 HB VAL 12 -4.735 -2.782 -17.013 247 HG11 VAL 12 HG11 VAL 12 -6.777 -4.248 -17.124 248 HG12 VAL 12 HG12 VAL 12 -5.252 -5.125 -17.279 249 HG13 VAL 12 HG13 VAL 12 -6.131 -5.155 -15.732 250 HG21 VAL 12 HG21 VAL 12 -5.611 -1.461 -15.096 251 HG22 VAL 12 HG22 VAL 12 -6.928 -2.128 -16.072 252 HG23 VAL 12 HG23 VAL 12 -6.487 -2.883 -14.521 253 H GLU 13 H GLU 13 -1.745 -3.568 -16.721 254 HA GLU 13 HA GLU 13 -1.787 -6.346 -17.482 255 HB2 GLU 13 HB2 GLU 13 -0.686 -4.402 -18.722 256 HB3 GLU 13 HB3 GLU 13 0.657 -4.565 -17.585 257 HG2 GLU 13 HG2 GLU 13 1.046 -6.869 -18.305 258 HG3 GLU 13 HG3 GLU 13 -0.397 -6.818 -19.335 259 H ALA 14 H ALA 14 -0.528 -4.702 -14.637 260 HA ALA 14 HA ALA 14 0.869 -7.162 -13.675 261 HB1 ALA 14 HB1 ALA 14 0.396 -4.426 -12.428 262 HB2 ALA 14 HB2 ALA 14 1.275 -5.799 -11.690 263 HB3 ALA 14 HB3 ALA 14 1.884 -4.998 -13.175 264 H LEU 15 H LEU 15 -1.991 -5.164 -12.779 265 HA LEU 15 HA LEU 15 -3.116 -6.641 -10.782 266 HB2 LEU 15 HB2 LEU 15 -3.731 -4.442 -12.211 267 HB3 LEU 15 HB3 LEU 15 -4.841 -5.560 -13.025 268 HG LEU 15 HG LEU 15 -4.718 -4.832 -10.121 269 HD11 LEU 15 HD11 LEU 15 -6.979 -3.851 -10.670 270 HD12 LEU 15 HD12 LEU 15 -6.706 -4.295 -12.369 271 HD13 LEU 15 HD13 LEU 15 -5.661 -3.109 -11.594 272 HD21 LEU 15 HD21 LEU 15 -5.328 -7.038 -10.087 273 HD22 LEU 15 HD22 LEU 15 -6.367 -6.891 -11.531 274 HD23 LEU 15 HD23 LEU 15 -6.842 -6.161 -9.981 275 H TYR 16 H TYR 16 -3.720 -7.088 -14.225 276 HA TYR 16 HA TYR 16 -5.564 -9.269 -14.146 277 HB2 TYR 16 HB2 TYR 16 -5.027 -7.535 -15.943 278 HB3 TYR 16 HB3 TYR 16 -3.602 -8.468 -16.359 279 HD1 TYR 16 HD1 TYR 16 -6.553 -7.538 -17.562 280 HD2 TYR 16 HD2 TYR 16 -4.475 -11.225 -16.688 281 HE1 TYR 16 HE1 TYR 16 -8.001 -8.762 -19.182 282 HE2 TYR 16 HE2 TYR 16 -5.916 -12.439 -18.269 283 HH TYR 16 HH TYR 16 -8.495 -10.782 -20.165 284 H LEU 17 H LEU 17 -2.056 -9.182 -13.960 285 HA LEU 17 HA LEU 17 -1.707 -12.049 -14.544 286 HB2 LEU 17 HB2 LEU 17 -0.099 -10.285 -15.252 287 HB3 LEU 17 HB3 LEU 17 0.150 -9.804 -13.607 288 HG LEU 17 HG LEU 17 1.116 -11.887 -12.946 289 HD11 LEU 17 HD11 LEU 17 0.068 -13.495 -14.482 290 HD12 LEU 17 HD12 LEU 17 1.820 -13.564 -14.671 291 HD13 LEU 17 HD13 LEU 17 0.839 -12.703 -15.881 292 HD21 LEU 17 HD21 LEU 17 2.555 -10.070 -13.822 293 HD22 LEU 17 HD22 LEU 17 2.411 -10.735 -15.462 294 HD23 LEU 17 HD23 LEU 17 3.240 -11.661 -14.198 295 H VAL 18 H VAL 18 -1.554 -9.760 -11.897 296 HA VAL 18 HA VAL 18 -0.764 -11.446 -9.760 297 HB VAL 18 HB VAL 18 -2.061 -8.679 -9.990 298 HG11 VAL 18 HG11 VAL 18 -1.267 -10.273 -7.523 299 HG12 VAL 18 HG12 VAL 18 -1.337 -8.512 -7.548 300 HG13 VAL 18 HG13 VAL 18 -2.809 -9.436 -7.861 301 HG21 VAL 18 HG21 VAL 18 0.209 -7.960 -9.462 302 HG22 VAL 18 HG22 VAL 18 0.681 -9.610 -8.994 303 HG23 VAL 18 HG23 VAL 18 0.404 -9.208 -10.678 304 H CYS 19 H CYS 19 -3.940 -10.562 -11.049 305 HA CYS 19 HA CYS 19 -5.374 -12.115 -8.968 306 HB2 CYS 19 HB2 CYS 19 -6.240 -10.688 -11.486 307 HB3 CYS 19 HB3 CYS 19 -7.349 -11.448 -10.323 308 H GLY 20 H GLY 20 -4.107 -12.388 -12.185 309 HA2 GLY 20 HA2 GLY 20 -3.823 -14.038 -13.702 310 HA3 GLY 20 HA3 GLY 20 -4.410 -15.216 -12.509 311 H GLU 21 H GLU 21 -6.767 -14.653 -12.014 312 HA GLU 21 HA GLU 21 -8.565 -14.482 -14.381 313 HB2 GLU 21 HB2 GLU 21 -8.185 -17.071 -12.806 314 HB3 GLU 21 HB3 GLU 21 -9.513 -16.771 -13.920 315 HG2 GLU 21 HG2 GLU 21 -7.839 -16.427 -15.772 316 HG3 GLU 21 HG3 GLU 21 -6.569 -16.953 -14.657 317 H ARG 22 H ARG 22 -8.111 -14.287 -10.964 318 HA ARG 22 HA ARG 22 -10.680 -14.985 -9.989 319 HB2 ARG 22 HB2 ARG 22 -8.467 -13.198 -8.888 320 HB3 ARG 22 HB3 ARG 22 -9.924 -13.576 -7.970 321 HG2 ARG 22 HG2 ARG 22 -9.490 -15.954 -8.064 322 HG3 ARG 22 HG3 ARG 22 -8.078 -15.731 -9.107 323 HD2 ARG 22 HD2 ARG 22 -8.310 -14.494 -6.338 324 HD3 ARG 22 HD3 ARG 22 -7.645 -16.113 -6.619 325 HE ARG 22 HE ARG 22 -6.200 -14.503 -8.353 326 HH11 ARG 22 HH11 ARG 22 -4.059 -13.679 -7.764 327 HH12 ARG 22 HH12 ARG 22 -3.724 -13.606 -6.050 328 HH21 ARG 22 HH21 ARG 22 -6.639 -14.556 -4.838 329 HH22 ARG 22 HH22 ARG 22 -4.978 -13.997 -4.594 330 H GLY 23 H GLY 23 -9.722 -11.929 -11.352 331 HA2 GLY 23 HA2 GLY 23 -11.238 -10.358 -12.274 332 HA3 GLY 23 HA3 GLY 23 -12.513 -10.913 -11.197 333 H PHE 24 H PHE 24 -11.679 -8.269 -11.677 334 HA PHE 24 HA PHE 24 -11.033 -7.029 -9.086 335 HB2 PHE 24 HB2 PHE 24 -9.034 -5.954 -10.063 336 HB3 PHE 24 HB3 PHE 24 -8.844 -7.682 -9.930 337 HD1 PHE 24 HD1 PHE 24 -8.967 -4.871 -12.265 338 HD2 PHE 24 HD2 PHE 24 -8.783 -9.158 -11.902 339 HE1 PHE 24 HE1 PHE 24 -8.144 -5.033 -14.604 340 HE2 PHE 24 HE2 PHE 24 -8.077 -9.330 -14.275 341 HZ PHE 24 HZ PHE 24 -7.755 -7.265 -15.625 342 H PHE 25 H PHE 25 -10.677 -4.607 -9.496 343 HA PHE 25 HA PHE 25 -11.977 -3.481 -11.893 344 HB2 PHE 25 HB2 PHE 25 -13.706 -3.384 -10.162 345 HB3 PHE 25 HB3 PHE 25 -12.578 -2.626 -9.041 346 HD1 PHE 25 HD1 PHE 25 -13.782 -2.079 -12.593 347 HD2 PHE 25 HD2 PHE 25 -12.834 -0.311 -8.772 348 HE1 PHE 25 HE1 PHE 25 -14.312 0.167 -13.501 349 HE2 PHE 25 HE2 PHE 25 -13.411 1.935 -9.677 350 HZ PHE 25 HZ PHE 25 -14.121 2.175 -12.049 351 H TYR 26 H TYR 26 -11.210 -1.289 -12.350 352 HA TYR 26 HA TYR 26 -8.335 -1.267 -11.973 353 HB2 TYR 26 HB2 TYR 26 -9.711 0.864 -13.544 354 HB3 TYR 26 HB3 TYR 26 -8.259 -0.044 -13.912 355 HD1 TYR 26 HD1 TYR 26 -8.803 -2.732 -14.275 356 HD2 TYR 26 HD2 TYR 26 -11.579 0.521 -14.852 357 HE1 TYR 26 HE1 TYR 26 -10.194 -4.177 -15.756 358 HE2 TYR 26 HE2 TYR 26 -12.961 -0.913 -16.326 359 HH TYR 26 HH TYR 26 -13.209 -2.987 -17.288 360 H THR 27 H THR 27 -10.881 0.493 -10.510 361 HA THR 27 HA THR 27 -11.066 2.469 -9.379 362 HB THR 27 HB THR 27 -8.714 1.381 -7.830 363 HG1 THR 27 HG1 THR 27 -10.188 -0.077 -6.944 364 HG21 THR 27 HG21 THR 27 -11.439 2.505 -6.988 365 HG22 THR 27 HG22 THR 27 -9.903 3.397 -6.897 366 HG23 THR 27 HG23 THR 27 -10.142 1.960 -5.894 367 HA PRO 28 HA PRO 28 -7.425 4.933 -10.891 368 HB2 PRO 28 HB2 PRO 28 -8.131 5.985 -13.246 369 HB3 PRO 28 HB3 PRO 28 -7.754 4.239 -13.094 370 HG2 PRO 28 HG2 PRO 28 -10.509 5.559 -13.019 371 HG3 PRO 28 HG3 PRO 28 -9.978 4.197 -14.061 372 HD2 PRO 28 HD2 PRO 28 -11.274 3.845 -11.648 373 HD3 PRO 28 HD3 PRO 28 -10.082 2.694 -12.307 374 H LYS 29 H LYS 29 -10.456 5.743 -9.765 375 HA LYS 29 HA LYS 29 -10.533 8.582 -10.218 376 HB2 LYS 29 HB2 LYS 29 -12.471 7.150 -9.679 377 HB3 LYS 29 HB3 LYS 29 -11.871 6.927 -8.033 378 HG2 LYS 29 HG2 LYS 29 -12.238 9.244 -7.487 379 HG3 LYS 29 HG3 LYS 29 -12.410 9.690 -9.187 380 HD2 LYS 29 HD2 LYS 29 -14.605 9.706 -8.157 381 HD3 LYS 29 HD3 LYS 29 -14.496 8.449 -9.377 382 HE2 LYS 29 HE2 LYS 29 -15.676 7.433 -7.651 383 HE3 LYS 29 HE3 LYS 29 -14.048 6.790 -7.464 384 HZ1 LYS 29 HZ1 LYS 29 -14.995 7.493 -5.342 385 HZ2 LYS 29 HZ2 LYS 29 -15.211 9.018 -5.872 386 HZ3 LYS 29 HZ3 LYS 29 -13.701 8.430 -5.655 387 H THR 30 H THR 30 -8.964 6.687 -7.715 388 HA THR 30 HA THR 30 -7.600 7.151 -6.001 389 HB THR 30 HB THR 30 -5.791 8.733 -6.336 390 HG1 THR 30 HG1 THR 30 -7.546 9.779 -8.239 391 HG21 THR 30 HG21 THR 30 -5.718 6.583 -7.551 392 HG22 THR 30 HG22 THR 30 -4.912 7.889 -8.431 393 HG23 THR 30 HG23 THR 30 -6.518 7.341 -8.940 394 H ARG 31 H ARG 31 -10.252 8.708 -5.951 395 HA ARG 31 HA ARG 31 -9.709 10.372 -3.541 396 HB2 ARG 31 HB2 ARG 31 -11.251 11.222 -6.028 397 HB3 ARG 31 HB3 ARG 31 -11.305 12.075 -4.483 398 HG2 ARG 31 HG2 ARG 31 -8.879 12.533 -4.606 399 HG3 ARG 31 HG3 ARG 31 -8.774 11.681 -6.155 400 HD2 ARG 31 HD2 ARG 31 -10.461 14.156 -5.629 401 HD3 ARG 31 HD3 ARG 31 -8.873 14.167 -6.381 402 HE ARG 31 HE ARG 31 -11.418 13.444 -7.608 403 HH11 ARG 31 HH11 ARG 31 -7.960 12.937 -7.962 404 HH12 ARG 31 HH12 ARG 31 -8.109 12.577 -9.657 405 HH21 ARG 31 HH21 ARG 31 -11.513 12.968 -9.760 406 HH22 ARG 31 HH22 ARG 31 -10.051 12.617 -10.642 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -5.912 4.812 -2.656 2 H2 GLY 1 H2 GLY 1 -7.110 5.738 -3.284 3 H3 GLY 1 H3 GLY 1 -5.541 6.195 -3.446 4 HA2 GLY 1 HA2 GLY 1 -6.787 3.817 -4.678 5 HA3 GLY 1 HA3 GLY 1 -6.374 5.323 -5.531 6 H ILE 2 H ILE 2 -5.399 2.506 -5.977 7 HA ILE 2 HA ILE 2 -2.663 2.417 -4.920 8 HB ILE 2 HB ILE 2 -3.879 0.396 -4.928 9 HG12 ILE 2 HG12 ILE 2 -2.025 0.200 -7.319 10 HG13 ILE 2 HG13 ILE 2 -1.437 0.375 -5.653 11 HG21 ILE 2 HG21 ILE 2 -4.799 -0.625 -6.944 12 HG22 ILE 2 HG22 ILE 2 -5.590 0.897 -6.638 13 HG23 ILE 2 HG23 ILE 2 -4.355 0.820 -7.912 14 HD11 ILE 2 HD11 ILE 2 -1.269 -1.894 -6.317 15 HD12 ILE 2 HD12 ILE 2 -2.554 -1.790 -5.085 16 HD13 ILE 2 HD13 ILE 2 -2.973 -1.991 -6.806 17 H VAL 3 H VAL 3 -4.096 2.847 -8.173 18 HA VAL 3 HA VAL 3 -2.099 3.325 -9.877 19 HB VAL 3 HB VAL 3 -4.288 5.386 -9.391 20 HG11 VAL 3 HG11 VAL 3 -2.677 5.973 -11.175 21 HG12 VAL 3 HG12 VAL 3 -2.963 4.410 -11.966 22 HG13 VAL 3 HG13 VAL 3 -4.269 5.613 -11.848 23 HG21 VAL 3 HG21 VAL 3 -4.602 2.743 -10.882 24 HG22 VAL 3 HG22 VAL 3 -5.440 3.217 -9.387 25 HG23 VAL 3 HG23 VAL 3 -5.765 4.083 -10.877 26 H GLU 4 H GLU 4 -2.906 5.604 -7.244 27 HA GLU 4 HA GLU 4 -1.122 7.604 -8.190 28 HB2 GLU 4 HB2 GLU 4 -2.951 8.029 -6.587 29 HB3 GLU 4 HB3 GLU 4 -2.094 7.108 -5.341 30 HG2 GLU 4 HG2 GLU 4 -0.262 8.729 -5.325 31 HG3 GLU 4 HG3 GLU 4 -0.949 9.576 -6.712 32 H GLN 5 H GLN 5 -0.571 4.765 -6.199 33 HA GLN 5 HA GLN 5 2.213 5.401 -5.521 34 HB2 GLN 5 HB2 GLN 5 0.316 3.879 -4.321 35 HB3 GLN 5 HB3 GLN 5 1.061 2.620 -5.276 36 HG2 GLN 5 HG2 GLN 5 2.476 4.456 -3.291 37 HG3 GLN 5 HG3 GLN 5 2.020 2.779 -3.005 38 HE21 GLN 5 HE21 GLN 5 2.991 1.154 -4.659 39 HE22 GLN 5 HE22 GLN 5 4.638 1.464 -5.194 40 H CYS 6 H CYS 6 0.511 3.042 -7.615 41 HA CYS 6 HA CYS 6 2.917 1.861 -8.662 42 HB2 CYS 6 HB2 CYS 6 0.097 1.670 -9.690 43 HB3 CYS 6 HB3 CYS 6 1.448 0.628 -10.130 44 H CYS 7 H CYS 7 0.884 4.511 -10.003 45 HA CYS 7 HA CYS 7 2.249 4.305 -12.579 46 HB2 CYS 7 HB2 CYS 7 -0.096 5.016 -12.388 47 HB3 CYS 7 HB3 CYS 7 0.329 6.343 -11.357 48 H THR 8 H THR 8 2.707 6.161 -9.581 49 HA THR 8 HA THR 8 4.775 7.886 -10.803 50 HB THR 8 HB THR 8 4.992 8.919 -8.646 51 HG1 THR 8 HG1 THR 8 2.836 7.571 -7.536 52 HG21 THR 8 HG21 THR 8 3.205 9.661 -10.150 53 HG22 THR 8 HG22 THR 8 2.745 9.861 -8.445 54 HG23 THR 8 HG23 THR 8 2.071 8.517 -9.403 55 H SER 9 H SER 9 4.642 5.143 -8.507 56 HA SER 9 HA SER 9 7.553 4.763 -8.896 57 HB2 SER 9 HB2 SER 9 6.215 4.499 -6.192 58 HB3 SER 9 HB3 SER 9 7.923 4.304 -6.566 59 HG SER 9 HG SER 9 7.447 6.362 -5.653 60 H ILE 10 H ILE 10 8.004 2.519 -7.485 61 HA ILE 10 HA ILE 10 6.861 0.623 -9.297 62 HB ILE 10 HB ILE 10 8.419 -0.987 -8.144 63 HG12 ILE 10 HG12 ILE 10 9.300 1.516 -6.613 64 HG13 ILE 10 HG13 ILE 10 8.408 0.174 -5.910 65 HG21 ILE 10 HG21 ILE 10 10.344 0.018 -9.241 66 HG22 ILE 10 HG22 ILE 10 8.894 0.418 -10.175 67 HG23 ILE 10 HG23 ILE 10 9.616 1.640 -9.129 68 HD11 ILE 10 HD11 ILE 10 10.328 -1.329 -6.428 69 HD12 ILE 10 HD12 ILE 10 11.215 0.082 -7.073 70 HD13 ILE 10 HD13 ILE 10 10.752 0.039 -5.367 71 H CYS 11 H CYS 11 5.717 -1.163 -9.075 72 HA CYS 11 HA CYS 11 4.564 -1.988 -6.456 73 HB2 CYS 11 HB2 CYS 11 3.106 -1.306 -9.036 74 HB3 CYS 11 HB3 CYS 11 2.429 -2.397 -7.835 75 H SER 12 H SER 12 3.496 -4.110 -6.612 76 HA SER 12 HA SER 12 4.207 -6.057 -8.680 77 HB2 SER 12 HB2 SER 12 5.472 -7.508 -7.177 78 HB3 SER 12 HB3 SER 12 6.293 -5.942 -7.297 79 HG SER 12 HG SER 12 5.638 -5.446 -5.264 80 H LEU 13 H LEU 13 3.587 -8.405 -7.378 81 HA LEU 13 HA LEU 13 0.775 -8.221 -6.862 82 HB2 LEU 13 HB2 LEU 13 1.473 -10.587 -5.623 83 HB3 LEU 13 HB3 LEU 13 0.995 -10.393 -7.269 84 HG LEU 13 HG LEU 13 3.395 -10.266 -7.962 85 HD11 LEU 13 HD11 LEU 13 4.411 -9.608 -5.774 86 HD12 LEU 13 HD12 LEU 13 5.086 -11.123 -6.373 87 HD13 LEU 13 HD13 LEU 13 3.871 -11.151 -5.080 88 HD21 LEU 13 HD21 LEU 13 2.507 -12.746 -6.442 89 HD22 LEU 13 HD22 LEU 13 3.780 -12.686 -7.676 90 HD23 LEU 13 HD23 LEU 13 2.104 -12.349 -8.125 91 H TYR 14 H TYR 14 3.500 -7.643 -4.798 92 HA TYR 14 HA TYR 14 2.214 -7.942 -2.267 93 HB2 TYR 14 HB2 TYR 14 4.762 -7.375 -3.201 94 HB3 TYR 14 HB3 TYR 14 4.283 -5.828 -2.537 95 HD1 TYR 14 HD1 TYR 14 3.992 -5.604 -0.076 96 HD2 TYR 14 HD2 TYR 14 4.869 -9.400 -1.909 97 HE1 TYR 14 HE1 TYR 14 4.538 -6.552 2.167 98 HE2 TYR 14 HE2 TYR 14 5.426 -10.356 0.341 99 HH TYR 14 HH TYR 14 5.223 -8.392 3.341 100 H GLN 15 H GLN 15 1.723 -5.581 -4.780 101 HA GLN 15 HA GLN 15 0.068 -3.937 -2.895 102 HB2 GLN 15 HB2 GLN 15 1.304 -2.958 -5.484 103 HB3 GLN 15 HB3 GLN 15 0.338 -2.061 -4.303 104 HG2 GLN 15 HG2 GLN 15 2.311 -3.048 -2.673 105 HG3 GLN 15 HG3 GLN 15 3.197 -2.959 -4.177 106 HE21 GLN 15 HE21 GLN 15 4.171 -1.483 -2.159 107 HE22 GLN 15 HE22 GLN 15 3.744 0.212 -2.345 108 H LEU 16 H LEU 16 0.245 -5.173 -6.268 109 HA LEU 16 HA LEU 16 -2.365 -4.374 -7.107 110 HB2 LEU 16 HB2 LEU 16 -0.393 -6.477 -7.980 111 HB3 LEU 16 HB3 LEU 16 -1.962 -6.268 -8.777 112 HG LEU 16 HG LEU 16 -0.015 -5.309 -9.935 113 HD11 LEU 16 HD11 LEU 16 -1.355 -3.676 -10.875 114 HD12 LEU 16 HD12 LEU 16 -1.975 -3.131 -9.292 115 HD13 LEU 16 HD13 LEU 16 -2.576 -4.618 -10.032 116 HD21 LEU 16 HD21 LEU 16 0.634 -2.993 -9.353 117 HD22 LEU 16 HD22 LEU 16 1.181 -4.185 -8.165 118 HD23 LEU 16 HD23 LEU 16 -0.228 -3.170 -7.804 119 H GLU 17 H GLU 17 -1.453 -7.298 -5.239 120 HA GLU 17 HA GLU 17 -3.845 -8.719 -6.058 121 HB2 GLU 17 HB2 GLU 17 -1.543 -9.613 -5.202 122 HB3 GLU 17 HB3 GLU 17 -2.285 -9.461 -3.599 123 HG2 GLU 17 HG2 GLU 17 -4.200 -10.909 -4.547 124 HG3 GLU 17 HG3 GLU 17 -3.230 -11.075 -6.012 125 H ASN 18 H ASN 18 -3.546 -6.099 -4.201 126 HA ASN 18 HA ASN 18 -5.826 -6.544 -2.370 127 HB2 ASN 18 HB2 ASN 18 -4.253 -4.057 -3.183 128 HB3 ASN 18 HB3 ASN 18 -5.612 -4.022 -2.087 129 HD21 ASN 18 HD21 ASN 18 -2.252 -4.728 -2.415 130 HD22 ASN 18 HD22 ASN 18 -1.972 -5.218 -0.742 131 H TYR 19 H TYR 19 -5.447 -5.798 -5.789 132 HA TYR 19 HA TYR 19 -7.948 -4.189 -5.904 133 HB2 TYR 19 HB2 TYR 19 -6.003 -5.370 -7.890 134 HB3 TYR 19 HB3 TYR 19 -7.573 -4.789 -8.401 135 HD1 TYR 19 HD1 TYR 19 -4.293 -3.950 -8.185 136 HD2 TYR 19 HD2 TYR 19 -8.218 -2.353 -7.582 137 HE1 TYR 19 HE1 TYR 19 -3.727 -2.103 -9.682 138 HE2 TYR 19 HE2 TYR 19 -7.563 -0.259 -8.809 139 HH TYR 19 HH TYR 19 -6.117 0.551 -10.387 140 H CYS 20 H CYS 20 -6.919 -7.539 -6.423 141 HA CYS 20 HA CYS 20 -8.917 -8.399 -7.993 142 HB2 CYS 20 HB2 CYS 20 -7.939 -10.140 -5.741 143 HB3 CYS 20 HB3 CYS 20 -8.483 -10.608 -7.380 144 H ASN 21 H ASN 21 -10.964 -9.341 -7.810 145 HA ASN 21 HA ASN 21 -12.515 -8.144 -5.688 146 HB2 ASN 21 HB2 ASN 21 -12.912 -7.908 -8.144 147 HB3 ASN 21 HB3 ASN 21 -13.210 -9.645 -8.256 148 HD21 ASN 21 HD21 ASN 21 -15.240 -9.443 -9.061 149 HD22 ASN 21 HD22 ASN 21 -16.571 -8.797 -8.116 150 H SER 22 H SER 22 -11.111 -11.155 -5.849 151 HA SER 22 HA SER 22 -12.975 -12.365 -3.899 152 HB2 SER 22 HB2 SER 22 -13.550 -13.183 -6.249 153 HB3 SER 22 HB3 SER 22 -11.956 -13.958 -6.285 154 HG SER 22 HG SER 22 -12.580 -15.161 -4.416 155 H1 PHE 1 H1 PHE 1 8.887 -13.149 -9.015 156 H2 PHE 1 H2 PHE 1 9.587 -11.923 -8.180 157 H3 PHE 1 H3 PHE 1 10.109 -12.283 -9.685 158 HA PHE 1 HA PHE 1 8.040 -11.615 -10.662 159 HB2 PHE 1 HB2 PHE 1 6.765 -12.228 -8.491 160 HB3 PHE 1 HB3 PHE 1 7.196 -10.628 -7.913 161 HD1 PHE 1 HD1 PHE 1 5.099 -12.593 -10.208 162 HD2 PHE 1 HD2 PHE 1 6.240 -8.592 -9.063 163 HE1 PHE 1 HE1 PHE 1 3.092 -11.690 -11.349 164 HE2 PHE 1 HE2 PHE 1 4.255 -7.688 -10.263 165 HZ PHE 1 HZ PHE 1 2.662 -9.236 -11.365 166 H VAL 2 H VAL 2 7.703 -9.459 -11.384 167 HA VAL 2 HA VAL 2 10.117 -7.830 -10.951 168 HB VAL 2 HB VAL 2 9.306 -6.563 -12.937 169 HG11 VAL 2 HG11 VAL 2 10.975 -8.359 -13.091 170 HG12 VAL 2 HG12 VAL 2 9.690 -9.563 -13.323 171 HG13 VAL 2 HG13 VAL 2 9.954 -8.300 -14.535 172 HG21 VAL 2 HG21 VAL 2 7.272 -8.821 -13.263 173 HG22 VAL 2 HG22 VAL 2 6.867 -7.144 -12.849 174 HG23 VAL 2 HG23 VAL 2 7.620 -7.508 -14.405 175 H LYS 3 H LYS 3 10.274 -5.959 -9.930 176 HA LYS 3 HA LYS 3 7.850 -4.502 -9.015 177 HB2 LYS 3 HB2 LYS 3 10.789 -3.970 -8.442 178 HB3 LYS 3 HB3 LYS 3 9.401 -3.151 -7.716 179 HG2 LYS 3 HG2 LYS 3 8.648 -5.287 -6.704 180 HG3 LYS 3 HG3 LYS 3 10.023 -6.126 -7.461 181 HD2 LYS 3 HD2 LYS 3 11.568 -4.565 -6.195 182 HD3 LYS 3 HD3 LYS 3 10.140 -4.001 -5.296 183 HE2 LYS 3 HE2 LYS 3 9.654 -6.356 -4.630 184 HE3 LYS 3 HE3 LYS 3 11.061 -6.898 -5.563 185 HZ1 LYS 3 HZ1 LYS 3 12.479 -5.608 -4.049 186 HZ2 LYS 3 HZ2 LYS 3 11.589 -6.682 -3.194 187 HZ3 LYS 3 HZ3 LYS 3 11.179 -5.103 -3.186 188 H GLN 4 H GLN 4 7.011 -2.952 -10.229 189 HA GLN 4 HA GLN 4 8.678 -1.290 -12.057 190 HB2 GLN 4 HB2 GLN 4 7.127 -1.917 -13.965 191 HB3 GLN 4 HB3 GLN 4 8.340 -3.117 -13.487 192 HG2 GLN 4 HG2 GLN 4 6.623 -4.414 -12.270 193 HG3 GLN 4 HG3 GLN 4 5.412 -3.198 -12.660 194 HE21 GLN 4 HE21 GLN 4 4.443 -5.391 -13.473 195 HE22 GLN 4 HE22 GLN 4 4.795 -5.772 -15.152 196 H HIS 5 H HIS 5 7.714 0.539 -12.907 197 HA HIS 5 HA HIS 5 5.283 1.503 -11.522 198 HB2 HIS 5 HB2 HIS 5 5.889 3.683 -12.598 199 HB3 HIS 5 HB3 HIS 5 6.982 3.076 -11.365 200 HD1 HIS 5 HD1 HIS 5 9.460 3.361 -12.027 201 HD2 HIS 5 HD2 HIS 5 6.871 2.799 -15.290 202 HE1 HIS 5 HE1 HIS 5 10.915 3.470 -14.116 203 H LEU 6 H LEU 6 3.421 1.979 -12.522 204 HA LEU 6 HA LEU 6 2.956 1.454 -15.401 205 HB2 LEU 6 HB2 LEU 6 1.557 -0.096 -13.184 206 HB3 LEU 6 HB3 LEU 6 1.400 -0.335 -14.902 207 HG LEU 6 HG LEU 6 3.972 -0.894 -13.458 208 HD11 LEU 6 HD11 LEU 6 1.685 -2.754 -14.020 209 HD12 LEU 6 HD12 LEU 6 2.251 -2.186 -12.432 210 HD13 LEU 6 HD13 LEU 6 3.287 -3.201 -13.435 211 HD21 LEU 6 HD21 LEU 6 4.577 -2.225 -15.317 212 HD22 LEU 6 HD22 LEU 6 4.010 -0.719 -16.047 213 HD23 LEU 6 HD23 LEU 6 2.957 -2.161 -16.019 214 H CYS 7 H CYS 7 1.198 2.487 -16.139 215 HA CYS 7 HA CYS 7 -0.664 3.890 -14.254 216 HB2 CYS 7 HB2 CYS 7 0.399 4.786 -16.949 217 HB3 CYS 7 HB3 CYS 7 -0.684 5.700 -15.898 218 H GLY 8 H GLY 8 -2.781 3.274 -14.550 219 HA2 GLY 8 HA2 GLY 8 -4.742 2.543 -15.526 220 HA3 GLY 8 HA3 GLY 8 -4.137 3.266 -17.016 221 H SER 9 H SER 9 -3.812 1.917 -18.700 222 HA SER 9 HA SER 9 -4.457 -0.829 -18.732 223 HB2 SER 9 HB2 SER 9 -2.574 0.710 -20.582 224 HB3 SER 9 HB3 SER 9 -3.424 -0.792 -20.994 225 HG SER 9 HG SER 9 -5.400 0.330 -20.836 226 H HIS 10 H HIS 10 -1.189 0.645 -18.327 227 HA HIS 10 HA HIS 10 0.239 -1.909 -18.423 228 HB2 HIS 10 HB2 HIS 10 0.916 0.746 -17.098 229 HB3 HIS 10 HB3 HIS 10 2.030 -0.592 -17.237 230 HD1 HIS 10 HD1 HIS 10 2.718 -1.138 -19.992 231 HD2 HIS 10 HD2 HIS 10 0.696 2.391 -18.980 232 HE1 HIS 10 HE1 HIS 10 2.971 0.412 -22.006 233 H LEU 11 H LEU 11 -1.397 -0.032 -15.913 234 HA LEU 11 HA LEU 11 -0.255 -1.468 -13.685 235 HB2 LEU 11 HB2 LEU 11 -1.461 0.947 -13.974 236 HB3 LEU 11 HB3 LEU 11 -2.865 0.007 -13.507 237 HG LEU 11 HG LEU 11 -0.323 0.580 -11.937 238 HD11 LEU 11 HD11 LEU 11 -2.092 2.225 -11.810 239 HD12 LEU 11 HD12 LEU 11 -2.071 1.304 -10.277 240 HD13 LEU 11 HD13 LEU 11 -3.302 0.960 -11.489 241 HD21 LEU 11 HD21 LEU 11 -0.621 -1.708 -11.455 242 HD22 LEU 11 HD22 LEU 11 -2.396 -1.520 -11.342 243 HD23 LEU 11 HD23 LEU 11 -1.323 -0.831 -10.101 244 H VAL 12 H VAL 12 -3.306 -1.593 -15.496 245 HA VAL 12 HA VAL 12 -4.412 -3.950 -14.296 246 HB VAL 12 HB VAL 12 -4.715 -2.808 -17.097 247 HG11 VAL 12 HG11 VAL 12 -6.758 -4.279 -17.264 248 HG12 VAL 12 HG12 VAL 12 -5.232 -5.150 -17.377 249 HG13 VAL 12 HG13 VAL 12 -6.155 -5.176 -15.852 250 HG21 VAL 12 HG21 VAL 12 -5.666 -1.490 -15.200 251 HG22 VAL 12 HG22 VAL 12 -6.925 -2.132 -16.266 252 HG23 VAL 12 HG23 VAL 12 -6.583 -2.927 -14.710 253 H GLU 13 H GLU 13 -1.771 -3.575 -16.752 254 HA GLU 13 HA GLU 13 -1.832 -6.351 -17.520 255 HB2 GLU 13 HB2 GLU 13 -0.737 -4.397 -18.758 256 HB3 GLU 13 HB3 GLU 13 0.623 -4.577 -17.642 257 HG2 GLU 13 HG2 GLU 13 0.994 -6.869 -18.392 258 HG3 GLU 13 HG3 GLU 13 -0.470 -6.816 -19.382 259 H ALA 14 H ALA 14 -0.566 -4.719 -14.672 260 HA ALA 14 HA ALA 14 0.807 -7.202 -13.738 261 HB1 ALA 14 HB1 ALA 14 1.875 -5.092 -13.213 262 HB2 ALA 14 HB2 ALA 14 0.388 -4.464 -12.488 263 HB3 ALA 14 HB3 ALA 14 1.228 -5.848 -11.727 264 H LEU 15 H LEU 15 -2.021 -5.159 -12.809 265 HA LEU 15 HA LEU 15 -3.141 -6.616 -10.810 266 HB2 LEU 15 HB2 LEU 15 -3.770 -4.428 -12.256 267 HB3 LEU 15 HB3 LEU 15 -4.876 -5.557 -13.055 268 HG LEU 15 HG LEU 15 -4.750 -4.785 -10.152 269 HD11 LEU 15 HD11 LEU 15 -7.030 -3.857 -10.675 270 HD12 LEU 15 HD12 LEU 15 -6.750 -4.301 -12.378 271 HD13 LEU 15 HD13 LEU 15 -5.733 -3.083 -11.598 272 HD21 LEU 15 HD21 LEU 15 -5.313 -7.016 -10.117 273 HD22 LEU 15 HD22 LEU 15 -6.389 -6.880 -11.531 274 HD23 LEU 15 HD23 LEU 15 -6.828 -6.160 -9.957 275 H TYR 16 H TYR 16 -3.736 -7.111 -14.249 276 HA TYR 16 HA TYR 16 -5.592 -9.292 -14.160 277 HB2 TYR 16 HB2 TYR 16 -5.049 -7.553 -15.961 278 HB3 TYR 16 HB3 TYR 16 -3.616 -8.488 -16.354 279 HD1 TYR 16 HD1 TYR 16 -6.584 -7.564 -17.583 280 HD2 TYR 16 HD2 TYR 16 -4.441 -11.222 -16.753 281 HE1 TYR 16 HE1 TYR 16 -7.983 -8.784 -19.243 282 HE2 TYR 16 HE2 TYR 16 -5.827 -12.427 -18.383 283 HH TYR 16 HH TYR 16 -8.438 -10.788 -20.257 284 H LEU 17 H LEU 17 -2.106 -9.231 -13.932 285 HA LEU 17 HA LEU 17 -1.737 -12.099 -14.519 286 HB2 LEU 17 HB2 LEU 17 -0.137 -10.311 -15.244 287 HB3 LEU 17 HB3 LEU 17 0.115 -9.832 -13.601 288 HG LEU 17 HG LEU 17 1.097 -11.913 -12.938 289 HD11 LEU 17 HD11 LEU 17 0.046 -13.523 -14.482 290 HD12 LEU 17 HD12 LEU 17 1.799 -13.591 -14.664 291 HD13 LEU 17 HD13 LEU 17 0.818 -12.729 -15.871 292 HD21 LEU 17 HD21 LEU 17 2.526 -10.100 -13.804 293 HD22 LEU 17 HD22 LEU 17 2.388 -10.749 -15.449 294 HD23 LEU 17 HD23 LEU 17 3.218 -11.680 -14.178 295 H VAL 18 H VAL 18 -1.542 -9.768 -11.899 296 HA VAL 18 HA VAL 18 -0.737 -11.420 -9.731 297 HB VAL 18 HB VAL 18 -2.074 -8.675 -9.985 298 HG11 VAL 18 HG11 VAL 18 -1.292 -8.463 -7.562 299 HG12 VAL 18 HG12 VAL 18 -2.770 -9.394 -7.854 300 HG13 VAL 18 HG13 VAL 18 -1.238 -10.232 -7.517 301 HG21 VAL 18 HG21 VAL 18 0.323 -9.043 -10.781 302 HG22 VAL 18 HG22 VAL 18 0.229 -7.926 -9.439 303 HG23 VAL 18 HG23 VAL 18 0.744 -9.604 -9.193 304 H CYS 19 H CYS 19 -3.877 -10.449 -10.959 305 HA CYS 19 HA CYS 19 -5.348 -12.132 -8.989 306 HB2 CYS 19 HB2 CYS 19 -6.289 -10.433 -11.310 307 HB3 CYS 19 HB3 CYS 19 -7.341 -11.240 -10.121 308 H GLY 20 H GLY 20 -4.025 -12.410 -12.187 309 HA2 GLY 20 HA2 GLY 20 -3.985 -14.099 -13.710 310 HA3 GLY 20 HA3 GLY 20 -4.325 -15.205 -12.377 311 H GLU 21 H GLU 21 -6.258 -12.638 -13.912 312 HA GLU 21 HA GLU 21 -8.341 -12.519 -14.740 313 HB2 GLU 21 HB2 GLU 21 -7.032 -14.181 -16.326 314 HB3 GLU 21 HB3 GLU 21 -8.263 -15.328 -15.787 315 HG2 GLU 21 HG2 GLU 21 -9.999 -13.568 -16.517 316 HG3 GLU 21 HG3 GLU 21 -8.663 -12.664 -17.211 317 H ARG 22 H ARG 22 -8.058 -14.086 -11.947 318 HA ARG 22 HA ARG 22 -10.687 -15.341 -11.706 319 HB2 ARG 22 HB2 ARG 22 -8.589 -14.416 -9.731 320 HB3 ARG 22 HB3 ARG 22 -10.216 -14.696 -9.172 321 HG2 ARG 22 HG2 ARG 22 -8.954 -16.678 -8.798 322 HG3 ARG 22 HG3 ARG 22 -10.230 -16.974 -9.976 323 HD2 ARG 22 HD2 ARG 22 -8.314 -18.181 -10.669 324 HD3 ARG 22 HD3 ARG 22 -8.502 -16.849 -11.812 325 HE ARG 22 HE ARG 22 -6.770 -15.641 -10.302 326 HH11 ARG 22 HH11 ARG 22 -6.575 -19.073 -11.017 327 HH12 ARG 22 HH12 ARG 22 -4.861 -19.120 -10.693 328 HH21 ARG 22 HH21 ARG 22 -4.645 -15.793 -9.843 329 HH22 ARG 22 HH22 ARG 22 -3.796 -17.298 -10.055 330 H GLY 23 H GLY 23 -9.575 -12.058 -11.416 331 HA2 GLY 23 HA2 GLY 23 -11.285 -10.491 -12.339 332 HA3 GLY 23 HA3 GLY 23 -12.417 -11.091 -11.146 333 H PHE 24 H PHE 24 -11.791 -8.456 -11.538 334 HA PHE 24 HA PHE 24 -10.839 -7.306 -9.031 335 HB2 PHE 24 HB2 PHE 24 -8.966 -6.133 -10.109 336 HB3 PHE 24 HB3 PHE 24 -8.701 -7.856 -10.026 337 HD1 PHE 24 HD1 PHE 24 -8.948 -4.998 -12.254 338 HD2 PHE 24 HD2 PHE 24 -8.781 -9.298 -12.049 339 HE1 PHE 24 HE1 PHE 24 -8.133 -5.087 -14.620 340 HE2 PHE 24 HE2 PHE 24 -8.173 -9.393 -14.444 341 HZ PHE 24 HZ PHE 24 -7.826 -7.278 -15.719 342 H PHE 25 H PHE 25 -10.746 -4.940 -9.158 343 HA PHE 25 HA PHE 25 -12.099 -3.637 -11.471 344 HB2 PHE 25 HB2 PHE 25 -12.804 -3.286 -8.528 345 HB3 PHE 25 HB3 PHE 25 -13.140 -2.063 -9.741 346 HD1 PHE 25 HD1 PHE 25 -14.592 -2.591 -11.733 347 HD2 PHE 25 HD2 PHE 25 -14.317 -5.173 -8.286 348 HE1 PHE 25 HE1 PHE 25 -16.741 -3.666 -12.365 349 HE2 PHE 25 HE2 PHE 25 -16.460 -6.253 -8.926 350 HZ PHE 25 HZ PHE 25 -17.675 -5.505 -10.971 351 H TYR 26 H TYR 26 -10.648 -2.330 -12.299 352 HA TYR 26 HA TYR 26 -8.235 -1.606 -10.841 353 HB2 TYR 26 HB2 TYR 26 -7.567 -0.718 -13.112 354 HB3 TYR 26 HB3 TYR 26 -7.920 -2.429 -12.988 355 HD1 TYR 26 HD1 TYR 26 -9.741 -3.487 -14.100 356 HD2 TYR 26 HD2 TYR 26 -9.246 0.801 -14.287 357 HE1 TYR 26 HE1 TYR 26 -11.546 -3.357 -15.807 358 HE2 TYR 26 HE2 TYR 26 -11.020 0.916 -16.048 359 HH TYR 26 HH TYR 26 -12.749 -2.001 -17.208 360 H THR 27 H THR 27 -11.204 -0.010 -11.252 361 HA THR 27 HA THR 27 -10.584 2.650 -11.714 362 HB THR 27 HB THR 27 -12.693 1.653 -9.773 363 HG1 THR 27 HG1 THR 27 -13.985 1.412 -11.638 364 HG21 THR 27 HG21 THR 27 -12.575 4.123 -9.964 365 HG22 THR 27 HG22 THR 27 -14.057 3.505 -10.712 366 HG23 THR 27 HG23 THR 27 -12.690 4.003 -11.733 367 HA PRO 28 HA PRO 28 -8.486 3.787 -7.839 368 HB2 PRO 28 HB2 PRO 28 -8.336 6.504 -8.142 369 HB3 PRO 28 HB3 PRO 28 -7.307 5.356 -9.054 370 HG2 PRO 28 HG2 PRO 28 -9.894 6.659 -9.966 371 HG3 PRO 28 HG3 PRO 28 -8.330 6.563 -10.840 372 HD2 PRO 28 HD2 PRO 28 -10.360 4.818 -11.315 373 HD3 PRO 28 HD3 PRO 28 -8.649 4.283 -11.346 374 H LYS 29 H LYS 29 -9.081 4.535 -5.821 375 HA LYS 29 HA LYS 29 -11.760 5.760 -5.389 376 HB2 LYS 29 HB2 LYS 29 -11.903 3.219 -5.431 377 HB3 LYS 29 HB3 LYS 29 -10.839 3.197 -4.024 378 HG2 LYS 29 HG2 LYS 29 -12.577 4.529 -2.764 379 HG3 LYS 29 HG3 LYS 29 -13.591 4.519 -4.215 380 HD2 LYS 29 HD2 LYS 29 -14.417 2.851 -2.730 381 HD3 LYS 29 HD3 LYS 29 -13.648 2.000 -4.075 382 HE2 LYS 29 HE2 LYS 29 -11.605 1.671 -2.680 383 HE3 LYS 29 HE3 LYS 29 -12.363 2.566 -1.359 384 HZ1 LYS 29 HZ1 LYS 29 -12.591 0.162 -1.060 385 HZ2 LYS 29 HZ2 LYS 29 -13.381 0.005 -2.483 386 HZ3 LYS 29 HZ3 LYS 29 -14.069 0.821 -1.244 387 H THR 30 H THR 30 -12.031 6.763 -3.410 388 HA THR 30 HA THR 30 -9.802 6.820 -1.441 389 HB THR 30 HB THR 30 -10.361 9.245 -0.994 390 HG1 THR 30 HG1 THR 30 -12.293 9.376 -2.198 391 HG21 THR 30 HG21 THR 30 -8.309 8.590 -2.201 392 HG22 THR 30 HG22 THR 30 -8.953 10.133 -2.772 393 HG23 THR 30 HG23 THR 30 -9.187 8.668 -3.747 394 H ARG 31 H ARG 31 -10.440 6.641 0.636 395 HA ARG 31 HA ARG 31 -13.264 7.029 1.425 396 HB2 ARG 31 HB2 ARG 31 -13.358 4.857 2.556 397 HB3 ARG 31 HB3 ARG 31 -13.216 4.734 0.821 398 HG2 ARG 31 HG2 ARG 31 -11.724 3.145 1.206 399 HG3 ARG 31 HG3 ARG 31 -10.567 4.439 1.493 400 HD2 ARG 31 HD2 ARG 31 -12.218 3.030 3.645 401 HD3 ARG 31 HD3 ARG 31 -10.562 2.597 3.184 402 HE ARG 31 HE ARG 31 -10.527 5.342 3.786 403 HH11 ARG 31 HH11 ARG 31 -9.933 6.216 5.637 404 HH12 ARG 31 HH12 ARG 31 -9.897 5.293 7.119 405 HH21 ARG 31 HH21 ARG 31 -11.026 2.393 5.626 406 HH22 ARG 31 HH22 ARG 31 -10.512 3.147 7.113 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -5.636 6.565 -3.965 2 H2 GLY 1 H2 GLY 1 -6.038 5.298 -3.017 3 H3 GLY 1 H3 GLY 1 -7.212 6.168 -3.763 4 HA2 GLY 1 HA2 GLY 1 -6.895 4.069 -4.901 5 HA3 GLY 1 HA3 GLY 1 -6.469 5.448 -5.937 6 H ILE 2 H ILE 2 -5.504 2.620 -6.014 7 HA ILE 2 HA ILE 2 -2.759 2.614 -4.957 8 HB ILE 2 HB ILE 2 -3.966 0.544 -4.889 9 HG12 ILE 2 HG12 ILE 2 -1.997 0.298 -7.184 10 HG13 ILE 2 HG13 ILE 2 -1.495 0.548 -5.504 11 HG21 ILE 2 HG21 ILE 2 -4.775 -0.583 -6.905 12 HG22 ILE 2 HG22 ILE 2 -5.621 0.926 -6.661 13 HG23 ILE 2 HG23 ILE 2 -4.337 0.841 -7.893 14 HD11 ILE 2 HD11 ILE 2 -2.542 -1.634 -4.899 15 HD12 ILE 2 HD12 ILE 2 -2.950 -1.900 -6.613 16 HD13 ILE 2 HD13 ILE 2 -1.247 -1.764 -6.107 17 H VAL 3 H VAL 3 -4.221 2.858 -8.225 18 HA VAL 3 HA VAL 3 -2.211 3.254 -9.928 19 HB VAL 3 HB VAL 3 -4.434 5.309 -9.633 20 HG11 VAL 3 HG11 VAL 3 -4.324 5.363 -12.110 21 HG12 VAL 3 HG12 VAL 3 -2.778 5.820 -11.399 22 HG13 VAL 3 HG13 VAL 3 -2.985 4.191 -12.079 23 HG21 VAL 3 HG21 VAL 3 -4.618 2.568 -10.935 24 HG22 VAL 3 HG22 VAL 3 -5.546 3.127 -9.522 25 HG23 VAL 3 HG23 VAL 3 -5.806 3.857 -11.108 26 H GLU 4 H GLU 4 -3.110 5.716 -7.485 27 HA GLU 4 HA GLU 4 -1.326 7.658 -8.544 28 HB2 GLU 4 HB2 GLU 4 -3.175 8.187 -7.001 29 HB3 GLU 4 HB3 GLU 4 -2.318 7.372 -5.678 30 HG2 GLU 4 HG2 GLU 4 -0.495 8.999 -5.798 31 HG3 GLU 4 HG3 GLU 4 -1.195 9.739 -7.237 32 H GLN 5 H GLN 5 -0.772 4.984 -6.340 33 HA GLN 5 HA GLN 5 2.014 5.713 -5.781 34 HB2 GLN 5 HB2 GLN 5 0.315 4.323 -4.306 35 HB3 GLN 5 HB3 GLN 5 0.840 2.970 -5.253 36 HG2 GLN 5 HG2 GLN 5 3.011 4.731 -4.083 37 HG3 GLN 5 HG3 GLN 5 2.075 3.741 -2.975 38 HE21 GLN 5 HE21 GLN 5 4.337 3.530 -5.783 39 HE22 GLN 5 HE22 GLN 5 4.657 1.812 -5.517 40 H CYS 6 H CYS 6 0.422 2.988 -7.519 41 HA CYS 6 HA CYS 6 2.883 1.946 -8.500 42 HB2 CYS 6 HB2 CYS 6 0.198 1.369 -9.604 43 HB3 CYS 6 HB3 CYS 6 1.702 0.454 -9.777 44 H CYS 7 H CYS 7 0.851 4.465 -9.951 45 HA CYS 7 HA CYS 7 2.191 4.190 -12.527 46 HB2 CYS 7 HB2 CYS 7 -0.123 4.934 -12.345 47 HB3 CYS 7 HB3 CYS 7 0.333 6.281 -11.339 48 H THR 8 H THR 8 2.758 6.091 -9.550 49 HA THR 8 HA THR 8 4.819 7.782 -10.888 50 HB THR 8 HB THR 8 4.975 8.964 -8.775 51 HG1 THR 8 HG1 THR 8 2.744 7.686 -7.734 52 HG21 THR 8 HG21 THR 8 3.293 9.658 -10.404 53 HG22 THR 8 HG22 THR 8 2.759 9.975 -8.741 54 HG23 THR 8 HG23 THR 8 2.088 8.593 -9.650 55 H SER 9 H SER 9 4.518 5.092 -8.667 56 HA SER 9 HA SER 9 7.446 4.742 -8.621 57 HB2 SER 9 HB2 SER 9 7.153 4.117 -6.122 58 HB3 SER 9 HB3 SER 9 7.297 5.792 -6.592 59 HG SER 9 HG SER 9 4.999 5.949 -6.470 60 H ILE 10 H ILE 10 7.944 2.590 -7.462 61 HA ILE 10 HA ILE 10 6.796 0.645 -9.207 62 HB ILE 10 HB ILE 10 8.485 -0.876 -8.155 63 HG12 ILE 10 HG12 ILE 10 9.083 1.602 -6.448 64 HG13 ILE 10 HG13 ILE 10 8.551 0.027 -5.883 65 HG21 ILE 10 HG21 ILE 10 10.314 0.257 -9.273 66 HG22 ILE 10 HG22 ILE 10 8.824 0.653 -10.137 67 HG23 ILE 10 HG23 ILE 10 9.540 1.845 -9.047 68 HD11 ILE 10 HD11 ILE 10 10.750 -0.907 -6.737 69 HD12 ILE 10 HD12 ILE 10 11.220 0.777 -7.126 70 HD13 ILE 10 HD13 ILE 10 10.899 0.322 -5.450 71 H CYS 11 H CYS 11 5.748 -1.206 -8.932 72 HA CYS 11 HA CYS 11 4.694 -2.064 -6.292 73 HB2 CYS 11 HB2 CYS 11 3.068 -1.413 -8.760 74 HB3 CYS 11 HB3 CYS 11 2.489 -2.430 -7.440 75 H SER 12 H SER 12 3.587 -4.229 -6.513 76 HA SER 12 HA SER 12 4.460 -6.045 -8.647 77 HB2 SER 12 HB2 SER 12 5.695 -7.517 -7.135 78 HB3 SER 12 HB3 SER 12 6.408 -5.900 -7.061 79 HG SER 12 HG SER 12 6.119 -6.650 -4.969 80 H LEU 13 H LEU 13 3.767 -8.490 -7.649 81 HA LEU 13 HA LEU 13 0.954 -8.284 -7.082 82 HB2 LEU 13 HB2 LEU 13 1.087 -10.794 -6.741 83 HB3 LEU 13 HB3 LEU 13 1.518 -10.195 -8.321 84 HG LEU 13 HG LEU 13 3.856 -10.519 -7.933 85 HD11 LEU 13 HD11 LEU 13 3.055 -11.554 -5.188 86 HD12 LEU 13 HD12 LEU 13 4.143 -10.194 -5.555 87 HD13 LEU 13 HD13 LEU 13 4.636 -11.834 -5.955 88 HD21 LEU 13 HD21 LEU 13 3.838 -12.966 -7.906 89 HD22 LEU 13 HD22 LEU 13 2.454 -12.363 -8.824 90 HD23 LEU 13 HD23 LEU 13 2.217 -12.974 -7.172 91 H TYR 14 H TYR 14 3.522 -7.812 -5.016 92 HA TYR 14 HA TYR 14 2.172 -8.661 -2.577 93 HB2 TYR 14 HB2 TYR 14 4.760 -7.960 -3.293 94 HB3 TYR 14 HB3 TYR 14 4.230 -6.522 -2.461 95 HD1 TYR 14 HD1 TYR 14 3.916 -6.622 0.001 96 HD2 TYR 14 HD2 TYR 14 4.738 -10.175 -2.296 97 HE1 TYR 14 HE1 TYR 14 4.368 -7.879 2.112 98 HE2 TYR 14 HE2 TYR 14 5.185 -11.437 -0.181 99 HH TYR 14 HH TYR 14 5.287 -11.355 2.098 100 H GLN 15 H GLN 15 1.725 -6.081 -4.813 101 HA GLN 15 HA GLN 15 0.194 -4.445 -2.836 102 HB2 GLN 15 HB2 GLN 15 1.674 -3.471 -5.314 103 HB3 GLN 15 HB3 GLN 15 0.863 -2.509 -4.074 104 HG2 GLN 15 HG2 GLN 15 2.520 -3.751 -2.429 105 HG3 GLN 15 HG3 GLN 15 3.442 -4.107 -3.883 106 HE21 GLN 15 HE21 GLN 15 1.824 -1.219 -2.367 107 HE22 GLN 15 HE22 GLN 15 3.073 -0.107 -2.913 108 H LEU 16 H LEU 16 0.332 -5.376 -6.306 109 HA LEU 16 HA LEU 16 -2.215 -4.306 -7.104 110 HB2 LEU 16 HB2 LEU 16 -0.358 -6.452 -8.128 111 HB3 LEU 16 HB3 LEU 16 -1.923 -6.118 -8.899 112 HG LEU 16 HG LEU 16 0.107 -5.184 -9.974 113 HD11 LEU 16 HD11 LEU 16 -1.890 -3.070 -9.134 114 HD12 LEU 16 HD12 LEU 16 -2.326 -4.367 -10.265 115 HD13 LEU 16 HD13 LEU 16 -1.066 -3.215 -10.705 116 HD21 LEU 16 HD21 LEU 16 1.312 -4.239 -8.098 117 HD22 LEU 16 HD22 LEU 16 -0.054 -3.156 -7.720 118 HD23 LEU 16 HD23 LEU 16 0.868 -2.953 -9.226 119 H GLU 17 H GLU 17 -1.530 -7.306 -5.308 120 HA GLU 17 HA GLU 17 -4.016 -8.523 -6.144 121 HB2 GLU 17 HB2 GLU 17 -1.811 -9.623 -5.210 122 HB3 GLU 17 HB3 GLU 17 -2.656 -9.447 -3.650 123 HG2 GLU 17 HG2 GLU 17 -4.642 -10.625 -4.762 124 HG3 GLU 17 HG3 GLU 17 -3.641 -10.836 -6.193 125 H ASN 18 H ASN 18 -3.456 -5.958 -4.171 126 HA ASN 18 HA ASN 18 -5.758 -6.205 -2.366 127 HB2 ASN 18 HB2 ASN 18 -4.047 -3.827 -3.258 128 HB3 ASN 18 HB3 ASN 18 -5.411 -3.675 -2.189 129 HD21 ASN 18 HD21 ASN 18 -2.103 -4.579 -2.404 130 HD22 ASN 18 HD22 ASN 18 -1.887 -5.009 -0.700 131 H TYR 19 H TYR 19 -5.384 -5.528 -5.808 132 HA TYR 19 HA TYR 19 -7.859 -3.896 -5.951 133 HB2 TYR 19 HB2 TYR 19 -5.956 -5.175 -7.917 134 HB3 TYR 19 HB3 TYR 19 -7.519 -4.570 -8.421 135 HD1 TYR 19 HD1 TYR 19 -4.176 -3.787 -8.179 136 HD2 TYR 19 HD2 TYR 19 -8.114 -2.124 -7.823 137 HE1 TYR 19 HE1 TYR 19 -3.522 -1.950 -9.707 138 HE2 TYR 19 HE2 TYR 19 -7.354 -0.080 -9.054 139 HH TYR 19 HH TYR 19 -5.857 0.633 -10.619 140 H CYS 20 H CYS 20 -6.869 -7.307 -6.371 141 HA CYS 20 HA CYS 20 -8.962 -8.100 -7.932 142 HB2 CYS 20 HB2 CYS 20 -7.745 -9.878 -5.827 143 HB3 CYS 20 HB3 CYS 20 -8.439 -10.346 -7.399 144 H ASN 21 H ASN 21 -10.840 -9.412 -7.584 145 HA ASN 21 HA ASN 21 -11.931 -9.383 -4.853 146 HB2 ASN 21 HB2 ASN 21 -14.165 -9.058 -5.774 147 HB3 ASN 21 HB3 ASN 21 -13.108 -7.716 -6.160 148 HD21 ASN 21 HD21 ASN 21 -14.705 -7.140 -7.794 149 HD22 ASN 21 HD22 ASN 21 -14.711 -8.018 -9.318 150 H SER 22 H SER 22 -13.619 -11.056 -4.531 151 HA SER 22 HA SER 22 -13.363 -13.566 -6.060 152 HB2 SER 22 HB2 SER 22 -12.855 -14.880 -4.030 153 HB3 SER 22 HB3 SER 22 -11.552 -13.772 -4.486 154 HG SER 22 HG SER 22 -12.027 -13.711 -2.203 155 H1 PHE 1 H1 PHE 1 10.291 -12.190 -9.736 156 H2 PHE 1 H2 PHE 1 9.071 -13.054 -9.073 157 H3 PHE 1 H3 PHE 1 9.739 -11.805 -8.249 158 HA PHE 1 HA PHE 1 8.241 -11.546 -10.771 159 HB2 PHE 1 HB2 PHE 1 6.904 -12.172 -8.662 160 HB3 PHE 1 HB3 PHE 1 7.326 -10.585 -8.040 161 HD1 PHE 1 HD1 PHE 1 6.386 -8.525 -9.122 162 HD2 PHE 1 HD2 PHE 1 5.277 -12.490 -10.429 163 HE1 PHE 1 HE1 PHE 1 4.393 -7.595 -10.287 164 HE2 PHE 1 HE2 PHE 1 3.266 -11.556 -11.541 165 HZ PHE 1 HZ PHE 1 2.808 -9.110 -11.438 166 H VAL 2 H VAL 2 7.840 -9.384 -11.482 167 HA VAL 2 HA VAL 2 10.278 -7.767 -11.100 168 HB VAL 2 HB VAL 2 8.039 -7.521 -13.148 169 HG11 VAL 2 HG11 VAL 2 10.821 -6.272 -13.042 170 HG12 VAL 2 HG12 VAL 2 9.688 -6.162 -14.407 171 HG13 VAL 2 HG13 VAL 2 9.280 -5.397 -12.875 172 HG21 VAL 2 HG21 VAL 2 9.703 -8.515 -14.715 173 HG22 VAL 2 HG22 VAL 2 10.810 -8.786 -13.352 174 HG23 VAL 2 HG23 VAL 2 9.260 -9.647 -13.437 175 H LYS 3 H LYS 3 10.367 -5.992 -9.883 176 HA LYS 3 HA LYS 3 7.936 -4.537 -9.014 177 HB2 LYS 3 HB2 LYS 3 10.885 -4.038 -8.455 178 HB3 LYS 3 HB3 LYS 3 9.526 -3.165 -7.725 179 HG2 LYS 3 HG2 LYS 3 8.693 -5.277 -6.729 180 HG3 LYS 3 HG3 LYS 3 10.092 -6.148 -7.384 181 HD2 LYS 3 HD2 LYS 3 10.215 -3.838 -5.412 182 HD3 LYS 3 HD3 LYS 3 10.348 -5.559 -5.009 183 HE2 LYS 3 HE2 LYS 3 12.371 -5.733 -6.451 184 HE3 LYS 3 HE3 LYS 3 12.273 -3.993 -6.789 185 HZ1 LYS 3 HZ1 LYS 3 12.657 -5.188 -4.094 186 HZ2 LYS 3 HZ2 LYS 3 12.564 -3.584 -4.405 187 HZ3 LYS 3 HZ3 LYS 3 13.819 -4.457 -4.975 188 H GLN 4 H GLN 4 7.097 -2.945 -10.172 189 HA GLN 4 HA GLN 4 8.750 -1.235 -11.949 190 HB2 GLN 4 HB2 GLN 4 7.247 -1.837 -13.903 191 HB3 GLN 4 HB3 GLN 4 8.442 -3.050 -13.420 192 HG2 GLN 4 HG2 GLN 4 6.661 -4.332 -12.232 193 HG3 GLN 4 HG3 GLN 4 5.487 -3.108 -12.692 194 HE21 GLN 4 HE21 GLN 4 4.580 -5.368 -13.497 195 HE22 GLN 4 HE22 GLN 4 4.971 -5.737 -15.166 196 H HIS 5 H HIS 5 7.729 0.587 -12.802 197 HA HIS 5 HA HIS 5 5.248 1.437 -11.431 198 HB2 HIS 5 HB2 HIS 5 5.806 3.684 -12.377 199 HB3 HIS 5 HB3 HIS 5 6.898 3.042 -11.148 200 HD1 HIS 5 HD1 HIS 5 9.350 3.566 -11.724 201 HD2 HIS 5 HD2 HIS 5 6.912 2.904 -15.094 202 HE1 HIS 5 HE1 HIS 5 10.865 3.818 -13.760 203 H LEU 6 H LEU 6 3.415 1.931 -12.482 204 HA LEU 6 HA LEU 6 3.027 1.502 -15.389 205 HB2 LEU 6 HB2 LEU 6 1.638 -0.150 -13.267 206 HB3 LEU 6 HB3 LEU 6 1.518 -0.356 -14.989 207 HG LEU 6 HG LEU 6 4.051 -0.904 -13.465 208 HD11 LEU 6 HD11 LEU 6 3.367 -3.242 -13.501 209 HD12 LEU 6 HD12 LEU 6 1.771 -2.761 -14.072 210 HD13 LEU 6 HD13 LEU 6 2.354 -2.235 -12.475 211 HD21 LEU 6 HD21 LEU 6 4.122 -0.702 -16.049 212 HD22 LEU 6 HD22 LEU 6 3.091 -2.164 -16.047 213 HD23 LEU 6 HD23 LEU 6 4.702 -2.208 -15.329 214 H CYS 7 H CYS 7 1.058 2.308 -16.085 215 HA CYS 7 HA CYS 7 -0.702 3.760 -14.156 216 HB2 CYS 7 HB2 CYS 7 0.298 4.678 -16.877 217 HB3 CYS 7 HB3 CYS 7 -0.744 5.577 -15.796 218 H GLY 8 H GLY 8 -2.821 3.062 -14.421 219 HA2 GLY 8 HA2 GLY 8 -4.793 2.433 -15.450 220 HA3 GLY 8 HA3 GLY 8 -4.156 3.211 -16.907 221 H SER 9 H SER 9 -3.884 1.900 -18.648 222 HA SER 9 HA SER 9 -4.452 -0.845 -18.748 223 HB2 SER 9 HB2 SER 9 -2.590 0.769 -20.565 224 HB3 SER 9 HB3 SER 9 -3.414 -0.746 -20.994 225 HG SER 9 HG SER 9 -4.539 1.120 -21.762 226 H HIS 10 H HIS 10 -1.171 0.653 -18.346 227 HA HIS 10 HA HIS 10 0.246 -1.902 -18.454 228 HB2 HIS 10 HB2 HIS 10 0.952 0.724 -17.092 229 HB3 HIS 10 HB3 HIS 10 2.062 -0.616 -17.257 230 HD1 HIS 10 HD1 HIS 10 2.804 -1.070 -20.001 231 HD2 HIS 10 HD2 HIS 10 0.689 2.397 -18.947 232 HE1 HIS 10 HE1 HIS 10 3.064 0.533 -21.969 233 H LEU 11 H LEU 11 -1.318 0.009 -15.899 234 HA LEU 11 HA LEU 11 -0.138 -1.522 -13.762 235 HB2 LEU 11 HB2 LEU 11 -0.946 0.902 -13.697 236 HB3 LEU 11 HB3 LEU 11 -2.588 0.277 -13.660 237 HG LEU 11 HG LEU 11 -2.269 -0.725 -11.560 238 HD11 LEU 11 HD11 LEU 11 -0.330 -0.768 -10.209 239 HD12 LEU 11 HD12 LEU 11 0.609 0.086 -11.483 240 HD13 LEU 11 HD13 LEU 11 0.039 -1.577 -11.714 241 HD21 LEU 11 HD21 LEU 11 -2.769 1.634 -11.674 242 HD22 LEU 11 HD22 LEU 11 -1.050 2.020 -11.429 243 HD23 LEU 11 HD23 LEU 11 -1.984 1.143 -10.168 244 H VAL 12 H VAL 12 -3.220 -1.569 -15.511 245 HA VAL 12 HA VAL 12 -4.354 -3.844 -14.222 246 HB VAL 12 HB VAL 12 -4.731 -2.714 -17.015 247 HG11 VAL 12 HG11 VAL 12 -6.145 -5.081 -15.733 248 HG12 VAL 12 HG12 VAL 12 -6.804 -4.157 -17.107 249 HG13 VAL 12 HG13 VAL 12 -5.286 -5.040 -17.289 250 HG21 VAL 12 HG21 VAL 12 -5.594 -1.385 -15.095 251 HG22 VAL 12 HG22 VAL 12 -6.909 -2.033 -16.079 252 HG23 VAL 12 HG23 VAL 12 -6.494 -2.796 -14.520 253 H GLU 13 H GLU 13 -1.821 -3.557 -16.793 254 HA GLU 13 HA GLU 13 -1.906 -6.327 -17.563 255 HB2 GLU 13 HB2 GLU 13 -0.816 -4.392 -18.812 256 HB3 GLU 13 HB3 GLU 13 0.546 -4.560 -17.701 257 HG2 GLU 13 HG2 GLU 13 0.924 -6.859 -18.451 258 HG3 GLU 13 HG3 GLU 13 -0.530 -6.805 -19.447 259 H ALA 14 H ALA 14 -0.575 -4.738 -14.732 260 HA ALA 14 HA ALA 14 0.790 -7.214 -13.807 261 HB1 ALA 14 HB1 ALA 14 1.260 -5.853 -11.816 262 HB2 ALA 14 HB2 ALA 14 1.880 -5.104 -13.315 263 HB3 ALA 14 HB3 ALA 14 0.409 -4.464 -12.563 264 H LEU 15 H LEU 15 -1.974 -5.104 -12.792 265 HA LEU 15 HA LEU 15 -3.098 -6.506 -10.783 266 HB2 LEU 15 HB2 LEU 15 -3.719 -4.362 -12.240 267 HB3 LEU 15 HB3 LEU 15 -4.860 -5.481 -13.013 268 HG LEU 15 HG LEU 15 -4.651 -4.680 -10.128 269 HD11 LEU 15 HD11 LEU 15 -6.926 -3.681 -10.658 270 HD12 LEU 15 HD12 LEU 15 -6.686 -4.156 -12.347 271 HD13 LEU 15 HD13 LEU 15 -5.615 -2.966 -11.606 272 HD21 LEU 15 HD21 LEU 15 -6.362 -6.747 -11.472 273 HD22 LEU 15 HD22 LEU 15 -6.811 -5.994 -9.929 274 HD23 LEU 15 HD23 LEU 15 -5.310 -6.889 -10.036 275 H TYR 16 H TYR 16 -3.754 -7.053 -14.185 276 HA TYR 16 HA TYR 16 -5.645 -9.193 -14.072 277 HB2 TYR 16 HB2 TYR 16 -5.067 -7.484 -15.881 278 HB3 TYR 16 HB3 TYR 16 -3.662 -8.461 -16.278 279 HD1 TYR 16 HD1 TYR 16 -4.577 -11.189 -16.601 280 HD2 TYR 16 HD2 TYR 16 -6.588 -7.467 -17.502 281 HE1 TYR 16 HE1 TYR 16 -6.018 -12.371 -18.198 282 HE2 TYR 16 HE2 TYR 16 -8.037 -8.671 -19.140 283 HH TYR 16 HH TYR 16 -8.566 -10.681 -20.106 284 H LEU 17 H LEU 17 -2.150 -9.210 -13.907 285 HA LEU 17 HA LEU 17 -1.860 -12.099 -14.415 286 HB2 LEU 17 HB2 LEU 17 -0.253 -10.358 -15.255 287 HB3 LEU 17 HB3 LEU 17 0.061 -9.844 -13.636 288 HG LEU 17 HG LEU 17 1.042 -11.876 -12.933 289 HD11 LEU 17 HD11 LEU 17 1.673 -13.643 -14.624 290 HD12 LEU 17 HD12 LEU 17 0.639 -12.830 -15.818 291 HD13 LEU 17 HD13 LEU 17 -0.069 -13.551 -14.355 292 HD21 LEU 17 HD21 LEU 17 2.453 -10.115 -13.944 293 HD22 LEU 17 HD22 LEU 17 2.252 -10.863 -15.541 294 HD23 LEU 17 HD23 LEU 17 3.119 -11.724 -14.258 295 H VAL 18 H VAL 18 -1.550 -9.703 -11.877 296 HA VAL 18 HA VAL 18 -0.644 -11.266 -9.683 297 HB VAL 18 HB VAL 18 -2.241 -8.661 -9.848 298 HG11 VAL 18 HG11 VAL 18 -2.574 -9.409 -7.685 299 HG12 VAL 18 HG12 VAL 18 -0.952 -10.109 -7.537 300 HG13 VAL 18 HG13 VAL 18 -1.170 -8.360 -7.526 301 HG21 VAL 18 HG21 VAL 18 0.383 -9.105 -10.721 302 HG22 VAL 18 HG22 VAL 18 -0.333 -7.557 -10.263 303 HG23 VAL 18 HG23 VAL 18 0.607 -8.459 -9.108 304 H CYS 19 H CYS 19 -3.847 -10.346 -10.829 305 HA CYS 19 HA CYS 19 -5.317 -11.952 -8.822 306 HB2 CYS 19 HB2 CYS 19 -6.161 -10.652 -11.432 307 HB3 CYS 19 HB3 CYS 19 -7.271 -11.389 -10.271 308 H GLY 20 H GLY 20 -4.134 -12.267 -12.132 309 HA2 GLY 20 HA2 GLY 20 -3.937 -13.989 -13.580 310 HA3 GLY 20 HA3 GLY 20 -4.202 -15.140 -12.252 311 H GLU 21 H GLU 21 -6.076 -12.662 -14.014 312 HA GLU 21 HA GLU 21 -8.171 -12.526 -14.823 313 HB2 GLU 21 HB2 GLU 21 -7.008 -14.465 -16.177 314 HB3 GLU 21 HB3 GLU 21 -8.272 -15.457 -15.453 315 HG2 GLU 21 HG2 GLU 21 -9.966 -13.796 -16.399 316 HG3 GLU 21 HG3 GLU 21 -8.630 -12.967 -17.184 317 H ARG 22 H ARG 22 -7.818 -13.840 -11.947 318 HA ARG 22 HA ARG 22 -10.220 -15.102 -11.154 319 HB2 ARG 22 HB2 ARG 22 -8.021 -14.863 -9.985 320 HB3 ARG 22 HB3 ARG 22 -8.439 -13.174 -9.612 321 HG2 ARG 22 HG2 ARG 22 -10.496 -14.226 -8.377 322 HG3 ARG 22 HG3 ARG 22 -9.601 -15.745 -8.527 323 HD2 ARG 22 HD2 ARG 22 -8.833 -13.204 -7.070 324 HD3 ARG 22 HD3 ARG 22 -9.008 -14.837 -6.402 325 HE ARG 22 HE ARG 22 -6.913 -14.842 -8.365 326 HH11 ARG 22 HH11 ARG 22 -5.577 -13.412 -4.928 327 HH12 ARG 22 HH12 ARG 22 -7.335 -13.556 -5.089 328 HH21 ARG 22 HH21 ARG 22 -4.759 -14.539 -7.963 329 HH22 ARG 22 HH22 ARG 22 -4.275 -13.926 -6.376 330 H GLY 23 H GLY 23 -9.489 -11.681 -11.465 331 HA2 GLY 23 HA2 GLY 23 -11.291 -10.241 -12.238 332 HA3 GLY 23 HA3 GLY 23 -12.354 -10.903 -10.995 333 H PHE 24 H PHE 24 -11.849 -8.240 -11.443 334 HA PHE 24 HA PHE 24 -10.925 -6.966 -9.010 335 HB2 PHE 24 HB2 PHE 24 -8.989 -5.857 -10.056 336 HB3 PHE 24 HB3 PHE 24 -8.739 -7.564 -9.918 337 HD1 PHE 24 HD1 PHE 24 -8.954 -4.773 -12.249 338 HD2 PHE 24 HD2 PHE 24 -8.720 -9.067 -11.884 339 HE1 PHE 24 HE1 PHE 24 -8.139 -4.940 -14.588 340 HE2 PHE 24 HE2 PHE 24 -8.085 -9.240 -14.269 341 HZ PHE 24 HZ PHE 24 -7.790 -7.169 -15.622 342 H PHE 25 H PHE 25 -10.599 -4.527 -9.508 343 HA PHE 25 HA PHE 25 -11.953 -3.505 -11.908 344 HB2 PHE 25 HB2 PHE 25 -13.681 -3.375 -10.175 345 HB3 PHE 25 HB3 PHE 25 -12.561 -2.552 -9.090 346 HD1 PHE 25 HD1 PHE 25 -12.899 -0.241 -8.912 347 HD2 PHE 25 HD2 PHE 25 -13.747 -2.183 -12.672 348 HE1 PHE 25 HE1 PHE 25 -13.505 1.954 -9.914 349 HE2 PHE 25 HE2 PHE 25 -14.326 0.013 -13.674 350 HZ PHE 25 HZ PHE 25 -14.196 2.090 -12.302 351 H TYR 26 H TYR 26 -11.208 -1.346 -12.482 352 HA TYR 26 HA TYR 26 -8.334 -1.270 -12.141 353 HB2 TYR 26 HB2 TYR 26 -9.754 0.864 -13.671 354 HB3 TYR 26 HB3 TYR 26 -8.311 -0.042 -14.072 355 HD1 TYR 26 HD1 TYR 26 -8.846 -2.726 -14.437 356 HD2 TYR 26 HD2 TYR 26 -11.665 0.508 -14.917 357 HE1 TYR 26 HE1 TYR 26 -10.266 -4.168 -15.900 358 HE2 TYR 26 HE2 TYR 26 -13.067 -0.922 -16.378 359 HH TYR 26 HH TYR 26 -13.327 -2.984 -17.348 360 H THR 27 H THR 27 -10.894 0.486 -10.688 361 HA THR 27 HA THR 27 -11.095 2.435 -9.538 362 HB THR 27 HB THR 27 -8.811 1.343 -7.904 363 HG1 THR 27 HG1 THR 27 -10.264 -0.190 -7.136 364 HG21 THR 27 HG21 THR 27 -11.609 2.365 -7.187 365 HG22 THR 27 HG22 THR 27 -10.111 3.295 -6.998 366 HG23 THR 27 HG23 THR 27 -10.359 1.832 -6.042 367 HA PRO 28 HA PRO 28 -7.550 5.220 -10.743 368 HB2 PRO 28 HB2 PRO 28 -8.458 6.507 -12.937 369 HB3 PRO 28 HB3 PRO 28 -7.701 4.886 -13.051 370 HG2 PRO 28 HG2 PRO 28 -10.677 5.544 -12.951 371 HG3 PRO 28 HG3 PRO 28 -9.825 4.494 -14.121 372 HD2 PRO 28 HD2 PRO 28 -11.081 3.484 -11.897 373 HD3 PRO 28 HD3 PRO 28 -9.590 2.778 -12.581 374 H LYS 29 H LYS 29 -11.016 5.477 -10.447 375 HA LYS 29 HA LYS 29 -10.841 7.946 -8.819 376 HB2 LYS 29 HB2 LYS 29 -11.220 8.599 -11.192 377 HB3 LYS 29 HB3 LYS 29 -12.675 7.635 -11.248 378 HG2 LYS 29 HG2 LYS 29 -12.213 10.028 -9.394 379 HG3 LYS 29 HG3 LYS 29 -12.936 10.138 -10.985 380 HD2 LYS 29 HD2 LYS 29 -14.143 8.840 -8.531 381 HD3 LYS 29 HD3 LYS 29 -14.697 10.257 -9.378 382 HE2 LYS 29 HE2 LYS 29 -14.704 7.431 -10.528 383 HE3 LYS 29 HE3 LYS 29 -16.085 8.222 -9.775 384 HZ1 LYS 29 HZ1 LYS 29 -14.729 9.197 -12.235 385 HZ2 LYS 29 HZ2 LYS 29 -16.007 9.921 -11.516 386 HZ3 LYS 29 HZ3 LYS 29 -16.176 8.441 -12.178 387 H THR 30 H THR 30 -12.134 7.750 -7.054 388 HA THR 30 HA THR 30 -14.604 6.166 -7.120 389 HB THR 30 HB THR 30 -12.826 4.516 -6.536 390 HG1 THR 30 HG1 THR 30 -14.743 3.940 -5.837 391 HG21 THR 30 HG21 THR 30 -11.842 4.497 -4.324 392 HG22 THR 30 HG22 THR 30 -12.580 6.052 -3.920 393 HG23 THR 30 HG23 THR 30 -11.322 5.956 -5.178 394 H ARG 31 H ARG 31 -15.851 6.417 -5.085 395 HA ARG 31 HA ARG 31 -15.963 9.281 -4.414 396 HB2 ARG 31 HB2 ARG 31 -17.824 6.968 -3.751 397 HB3 ARG 31 HB3 ARG 31 -18.093 8.649 -3.283 398 HG2 ARG 31 HG2 ARG 31 -18.119 9.330 -5.679 399 HG3 ARG 31 HG3 ARG 31 -17.845 7.648 -6.156 400 HD2 ARG 31 HD2 ARG 31 -20.165 8.116 -6.423 401 HD3 ARG 31 HD3 ARG 31 -19.984 6.998 -5.061 402 HE ARG 31 HE ARG 31 -20.013 9.655 -4.038 403 HH11 ARG 31 HH11 ARG 31 -22.280 7.486 -5.593 404 HH12 ARG 31 HH12 ARG 31 -23.659 8.229 -4.827 405 HH21 ARG 31 HH21 ARG 31 -21.808 10.554 -3.100 406 HH22 ARG 31 HH22 ARG 31 -23.392 9.941 -3.476 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -7.088 5.922 -3.693 2 H2 GLY 1 H2 GLY 1 -5.527 6.351 -3.942 3 H3 GLY 1 H3 GLY 1 -5.884 5.106 -2.935 4 HA2 GLY 1 HA2 GLY 1 -6.726 3.781 -4.751 5 HA3 GLY 1 HA3 GLY 1 -6.398 5.136 -5.849 6 H ILE 2 H ILE 2 -5.329 2.381 -5.943 7 HA ILE 2 HA ILE 2 -2.576 2.398 -4.939 8 HB ILE 2 HB ILE 2 -3.759 0.337 -4.931 9 HG12 ILE 2 HG12 ILE 2 -1.788 0.167 -7.250 10 HG13 ILE 2 HG13 ILE 2 -1.306 0.299 -5.561 11 HG21 ILE 2 HG21 ILE 2 -4.635 -0.719 -6.941 12 HG22 ILE 2 HG22 ILE 2 -5.432 0.808 -6.705 13 HG23 ILE 2 HG23 ILE 2 -4.150 0.705 -7.927 14 HD11 ILE 2 HD11 ILE 2 -2.784 -2.040 -6.848 15 HD12 ILE 2 HD12 ILE 2 -1.127 -1.966 -6.202 16 HD13 ILE 2 HD13 ILE 2 -2.518 -1.854 -5.105 17 H VAL 3 H VAL 3 -4.075 2.812 -8.146 18 HA VAL 3 HA VAL 3 -2.097 3.332 -9.891 19 HB VAL 3 HB VAL 3 -4.294 5.359 -9.361 20 HG11 VAL 3 HG11 VAL 3 -3.086 4.332 -11.968 21 HG12 VAL 3 HG12 VAL 3 -4.365 5.553 -11.811 22 HG13 VAL 3 HG13 VAL 3 -2.744 5.907 -11.221 23 HG21 VAL 3 HG21 VAL 3 -5.811 3.992 -10.791 24 HG22 VAL 3 HG22 VAL 3 -4.652 2.668 -10.727 25 HG23 VAL 3 HG23 VAL 3 -5.464 3.225 -9.252 26 H GLU 4 H GLU 4 -2.909 5.548 -7.197 27 HA GLU 4 HA GLU 4 -1.168 7.580 -8.168 28 HB2 GLU 4 HB2 GLU 4 -3.001 8.001 -6.576 29 HB3 GLU 4 HB3 GLU 4 -2.145 7.087 -5.318 30 HG2 GLU 4 HG2 GLU 4 -0.325 8.684 -5.289 31 HG3 GLU 4 HG3 GLU 4 -0.959 9.511 -6.715 32 H GLN 5 H GLN 5 -0.555 4.707 -6.239 33 HA GLN 5 HA GLN 5 2.231 5.417 -5.636 34 HB2 GLN 5 HB2 GLN 5 0.671 3.955 -4.193 35 HB3 GLN 5 HB3 GLN 5 0.889 2.692 -5.365 36 HG2 GLN 5 HG2 GLN 5 2.455 2.306 -3.587 37 HG3 GLN 5 HG3 GLN 5 3.371 2.759 -5.018 38 HE21 GLN 5 HE21 GLN 5 4.459 4.937 -5.012 39 HE22 GLN 5 HE22 GLN 5 4.666 5.750 -3.476 40 H CYS 6 H CYS 6 0.562 2.935 -7.579 41 HA CYS 6 HA CYS 6 2.883 1.783 -8.766 42 HB2 CYS 6 HB2 CYS 6 -0.053 1.852 -9.553 43 HB3 CYS 6 HB3 CYS 6 1.156 1.044 -10.542 44 H CYS 7 H CYS 7 0.834 4.509 -10.037 45 HA CYS 7 HA CYS 7 2.179 4.341 -12.598 46 HB2 CYS 7 HB2 CYS 7 -0.142 5.106 -12.334 47 HB3 CYS 7 HB3 CYS 7 0.340 6.425 -11.331 48 H THR 8 H THR 8 2.806 6.248 -9.629 49 HA THR 8 HA THR 8 4.988 7.741 -10.960 50 HB THR 8 HB THR 8 5.282 8.871 -8.846 51 HG1 THR 8 HG1 THR 8 4.827 7.229 -7.365 52 HG21 THR 8 HG21 THR 8 3.108 9.941 -8.653 53 HG22 THR 8 HG22 THR 8 2.310 8.565 -9.458 54 HG23 THR 8 HG23 THR 8 3.451 9.592 -10.362 55 H SER 9 H SER 9 4.628 4.993 -8.743 56 HA SER 9 HA SER 9 7.579 4.639 -8.672 57 HB2 SER 9 HB2 SER 9 6.052 4.031 -6.189 58 HB3 SER 9 HB3 SER 9 7.712 4.560 -6.396 59 HG SER 9 HG SER 9 7.061 6.659 -6.620 60 H ILE 10 H ILE 10 8.058 2.469 -7.473 61 HA ILE 10 HA ILE 10 6.878 0.512 -9.231 62 HB ILE 10 HB ILE 10 8.596 -1.018 -8.320 63 HG12 ILE 10 HG12 ILE 10 9.428 1.428 -6.662 64 HG13 ILE 10 HG13 ILE 10 8.768 -0.072 -6.020 65 HG21 ILE 10 HG21 ILE 10 8.822 0.583 -10.268 66 HG22 ILE 10 HG22 ILE 10 9.674 1.698 -9.186 67 HG23 ILE 10 HG23 ILE 10 10.353 0.087 -9.532 68 HD11 ILE 10 HD11 ILE 10 11.435 0.291 -7.421 69 HD12 ILE 10 HD12 ILE 10 11.133 -0.018 -5.704 70 HD13 ILE 10 HD13 ILE 10 10.771 -1.282 -6.907 71 H CYS 11 H CYS 11 5.634 -1.150 -8.945 72 HA CYS 11 HA CYS 11 4.831 -2.124 -6.255 73 HB2 CYS 11 HB2 CYS 11 2.508 -1.939 -6.784 74 HB3 CYS 11 HB3 CYS 11 3.271 -0.358 -6.872 75 H SER 12 H SER 12 3.508 -4.172 -6.493 76 HA SER 12 HA SER 12 3.825 -5.821 -8.872 77 HB2 SER 12 HB2 SER 12 6.142 -5.822 -7.729 78 HB3 SER 12 HB3 SER 12 5.372 -6.720 -6.408 79 HG SER 12 HG SER 12 5.722 -7.397 -9.135 80 H LEU 13 H LEU 13 3.538 -8.389 -7.491 81 HA LEU 13 HA LEU 13 0.743 -8.173 -6.759 82 HB2 LEU 13 HB2 LEU 13 0.823 -10.564 -6.204 83 HB3 LEU 13 HB3 LEU 13 1.325 -10.175 -7.831 84 HG LEU 13 HG LEU 13 3.659 -10.578 -7.301 85 HD11 LEU 13 HD11 LEU 13 3.854 -10.096 -4.940 86 HD12 LEU 13 HD12 LEU 13 4.177 -11.805 -5.147 87 HD13 LEU 13 HD13 LEU 13 2.590 -11.287 -4.529 88 HD21 LEU 13 HD21 LEU 13 2.218 -12.387 -8.140 89 HD22 LEU 13 HD22 LEU 13 1.725 -12.791 -6.477 90 HD23 LEU 13 HD23 LEU 13 3.400 -13.034 -6.997 91 H TYR 14 H TYR 14 3.492 -7.627 -4.906 92 HA TYR 14 HA TYR 14 2.432 -8.051 -2.283 93 HB2 TYR 14 HB2 TYR 14 4.843 -7.217 -3.423 94 HB3 TYR 14 HB3 TYR 14 4.257 -5.741 -2.689 95 HD1 TYR 14 HD1 TYR 14 5.216 -9.271 -2.154 96 HD2 TYR 14 HD2 TYR 14 4.233 -5.542 -0.225 97 HE1 TYR 14 HE1 TYR 14 6.044 -10.179 0.028 98 HE2 TYR 14 HE2 TYR 14 5.067 -6.444 1.951 99 HH TYR 14 HH TYR 14 6.377 -9.770 2.248 100 H GLN 15 H GLN 15 1.643 -5.680 -4.729 101 HA GLN 15 HA GLN 15 -0.057 -4.181 -2.769 102 HB2 GLN 15 HB2 GLN 15 1.116 -2.976 -5.294 103 HB3 GLN 15 HB3 GLN 15 0.255 -2.175 -3.971 104 HG2 GLN 15 HG2 GLN 15 2.317 -3.174 -2.548 105 HG3 GLN 15 HG3 GLN 15 3.113 -3.145 -4.110 106 HE21 GLN 15 HE21 GLN 15 1.677 -1.136 -1.545 107 HE22 GLN 15 HE22 GLN 15 2.337 0.376 -2.159 108 H LEU 16 H LEU 16 0.236 -5.183 -6.220 109 HA LEU 16 HA LEU 16 -2.324 -4.365 -7.120 110 HB2 LEU 16 HB2 LEU 16 -0.358 -6.490 -7.979 111 HB3 LEU 16 HB3 LEU 16 -1.919 -6.269 -8.791 112 HG LEU 16 HG LEU 16 0.044 -5.305 -9.917 113 HD11 LEU 16 HD11 LEU 16 -1.879 -3.105 -9.316 114 HD12 LEU 16 HD12 LEU 16 -2.525 -4.586 -10.019 115 HD13 LEU 16 HD13 LEU 16 -1.288 -3.703 -10.890 116 HD21 LEU 16 HD21 LEU 16 1.249 -4.188 -8.149 117 HD22 LEU 16 HD22 LEU 16 -0.178 -3.190 -7.768 118 HD23 LEU 16 HD23 LEU 16 0.664 -3.017 -9.327 119 H GLU 17 H GLU 17 -1.540 -7.308 -5.238 120 HA GLU 17 HA GLU 17 -3.966 -8.640 -6.089 121 HB2 GLU 17 HB2 GLU 17 -1.715 -9.634 -5.171 122 HB3 GLU 17 HB3 GLU 17 -2.516 -9.459 -3.589 123 HG2 GLU 17 HG2 GLU 17 -4.492 -10.744 -4.697 124 HG3 GLU 17 HG3 GLU 17 -3.415 -11.006 -6.069 125 H ASN 18 H ASN 18 -3.582 -6.019 -4.192 126 HA ASN 18 HA ASN 18 -5.886 -6.397 -2.381 127 HB2 ASN 18 HB2 ASN 18 -4.260 -3.942 -3.200 128 HB3 ASN 18 HB3 ASN 18 -5.657 -3.868 -2.162 129 HD21 ASN 18 HD21 ASN 18 -2.312 -4.763 -2.359 130 HD22 ASN 18 HD22 ASN 18 -2.113 -5.164 -0.645 131 H TYR 19 H TYR 19 -5.473 -5.675 -5.817 132 HA TYR 19 HA TYR 19 -7.997 -4.110 -5.978 133 HB2 TYR 19 HB2 TYR 19 -6.022 -5.308 -7.909 134 HB3 TYR 19 HB3 TYR 19 -7.594 -4.757 -8.456 135 HD1 TYR 19 HD1 TYR 19 -4.301 -3.915 -8.121 136 HD2 TYR 19 HD2 TYR 19 -8.267 -2.306 -7.846 137 HE1 TYR 19 HE1 TYR 19 -3.622 -2.071 -9.579 138 HE2 TYR 19 HE2 TYR 19 -7.478 -0.194 -9.007 139 HH TYR 19 HH TYR 19 -4.277 -0.084 -10.600 140 H CYS 20 H CYS 20 -6.911 -7.471 -6.408 141 HA CYS 20 HA CYS 20 -8.931 -8.360 -7.979 142 HB2 CYS 20 HB2 CYS 20 -7.778 -10.066 -5.785 143 HB3 CYS 20 HB3 CYS 20 -8.385 -10.574 -7.392 144 H ASN 21 H ASN 21 -10.839 -9.639 -7.638 145 HA ASN 21 HA ASN 21 -12.429 -8.501 -5.493 146 HB2 ASN 21 HB2 ASN 21 -13.114 -10.275 -7.883 147 HB3 ASN 21 HB3 ASN 21 -14.328 -9.685 -6.741 148 HD21 ASN 21 HD21 ASN 21 -14.717 -9.090 -9.343 149 HD22 ASN 21 HD22 ASN 21 -14.397 -7.389 -9.612 150 H SER 22 H SER 22 -10.561 -11.217 -5.502 151 HA SER 22 HA SER 22 -12.079 -13.319 -4.401 152 HB2 SER 22 HB2 SER 22 -9.164 -12.648 -3.848 153 HB3 SER 22 HB3 SER 22 -9.937 -14.227 -3.661 154 HG SER 22 HG SER 22 -10.395 -14.180 -5.931 155 H1 PHE 1 H1 PHE 1 7.759 -13.048 -10.644 156 H2 PHE 1 H2 PHE 1 8.055 -12.793 -12.234 157 H3 PHE 1 H3 PHE 1 6.619 -13.435 -11.758 158 HA PHE 1 HA PHE 1 6.343 -11.138 -12.364 159 HB2 PHE 1 HB2 PHE 1 5.241 -10.340 -10.311 160 HB3 PHE 1 HB3 PHE 1 4.828 -11.994 -10.690 161 HD1 PHE 1 HD1 PHE 1 6.775 -9.821 -8.374 162 HD2 PHE 1 HD2 PHE 1 5.336 -13.813 -9.171 163 HE1 PHE 1 HE1 PHE 1 7.337 -10.491 -6.056 164 HE2 PHE 1 HE2 PHE 1 5.924 -14.487 -6.858 165 HZ PHE 1 HZ PHE 1 6.876 -12.806 -5.283 166 H VAL 2 H VAL 2 6.632 -8.842 -11.593 167 HA VAL 2 HA VAL 2 9.421 -8.272 -10.695 168 HB VAL 2 HB VAL 2 9.560 -6.593 -12.564 169 HG11 VAL 2 HG11 VAL 2 10.806 -8.722 -12.606 170 HG12 VAL 2 HG12 VAL 2 9.451 -9.500 -13.451 171 HG13 VAL 2 HG13 VAL 2 10.346 -8.183 -14.229 172 HG21 VAL 2 HG21 VAL 2 8.253 -6.854 -14.572 173 HG22 VAL 2 HG22 VAL 2 7.353 -8.221 -13.895 174 HG23 VAL 2 HG23 VAL 2 7.132 -6.593 -13.228 175 H LYS 3 H LYS 3 9.815 -6.216 -9.870 176 HA LYS 3 HA LYS 3 7.483 -4.583 -9.040 177 HB2 LYS 3 HB2 LYS 3 10.448 -4.358 -8.403 178 HB3 LYS 3 HB3 LYS 3 9.168 -3.334 -7.733 179 HG2 LYS 3 HG2 LYS 3 8.098 -5.272 -6.668 180 HG3 LYS 3 HG3 LYS 3 9.320 -6.358 -7.337 181 HD2 LYS 3 HD2 LYS 3 9.888 -4.065 -5.422 182 HD3 LYS 3 HD3 LYS 3 9.695 -5.773 -4.972 183 HE2 LYS 3 HE2 LYS 3 11.632 -6.371 -6.411 184 HE3 LYS 3 HE3 LYS 3 11.864 -4.672 -6.824 185 HZ1 LYS 3 HZ1 LYS 3 12.076 -5.795 -4.077 186 HZ2 LYS 3 HZ2 LYS 3 12.273 -4.220 -4.460 187 HZ3 LYS 3 HZ3 LYS 3 13.328 -5.335 -5.011 188 H GLN 4 H GLN 4 6.804 -2.948 -10.238 189 HA GLN 4 HA GLN 4 8.624 -1.307 -11.904 190 HB2 GLN 4 HB2 GLN 4 7.147 -1.790 -13.936 191 HB3 GLN 4 HB3 GLN 4 8.325 -3.021 -13.466 192 HG2 GLN 4 HG2 GLN 4 6.533 -4.356 -12.392 193 HG3 GLN 4 HG3 GLN 4 5.361 -3.103 -12.775 194 HE21 GLN 4 HE21 GLN 4 4.523 -5.363 -13.666 195 HE22 GLN 4 HE22 GLN 4 4.888 -5.641 -15.367 196 H HIS 5 H HIS 5 7.644 0.548 -12.846 197 HA HIS 5 HA HIS 5 5.229 1.500 -11.445 198 HB2 HIS 5 HB2 HIS 5 5.839 3.700 -12.503 199 HB3 HIS 5 HB3 HIS 5 6.904 3.065 -11.249 200 HD1 HIS 5 HD1 HIS 5 9.371 3.462 -11.825 201 HD2 HIS 5 HD2 HIS 5 6.920 2.788 -15.185 202 HE1 HIS 5 HE1 HIS 5 10.903 3.572 -13.862 203 H LEU 6 H LEU 6 3.358 1.986 -12.437 204 HA LEU 6 HA LEU 6 2.922 1.508 -15.333 205 HB2 LEU 6 HB2 LEU 6 1.518 -0.101 -13.170 206 HB3 LEU 6 HB3 LEU 6 1.357 -0.288 -14.891 207 HG LEU 6 HG LEU 6 3.946 -0.870 -13.472 208 HD11 LEU 6 HD11 LEU 6 3.260 -3.195 -13.512 209 HD12 LEU 6 HD12 LEU 6 1.652 -2.714 -14.036 210 HD13 LEU 6 HD13 LEU 6 2.262 -2.196 -12.452 211 HD21 LEU 6 HD21 LEU 6 2.940 -2.110 -16.039 212 HD22 LEU 6 HD22 LEU 6 4.563 -2.144 -15.347 213 HD23 LEU 6 HD23 LEU 6 3.964 -0.640 -16.049 214 H CYS 7 H CYS 7 1.186 2.563 -16.087 215 HA CYS 7 HA CYS 7 -0.718 3.924 -14.210 216 HB2 CYS 7 HB2 CYS 7 0.303 4.821 -16.920 217 HB3 CYS 7 HB3 CYS 7 -0.782 5.721 -15.867 218 H GLY 8 H GLY 8 -2.862 3.324 -14.554 219 HA2 GLY 8 HA2 GLY 8 -4.793 2.575 -15.579 220 HA3 GLY 8 HA3 GLY 8 -4.136 3.290 -17.046 221 H SER 9 H SER 9 -3.841 1.917 -18.728 222 HA SER 9 HA SER 9 -4.480 -0.823 -18.736 223 HB2 SER 9 HB2 SER 9 -2.607 0.704 -20.618 224 HB3 SER 9 HB3 SER 9 -3.469 -0.797 -21.005 225 HG SER 9 HG SER 9 -5.434 0.326 -20.854 226 H HIS 10 H HIS 10 -1.209 0.651 -18.371 227 HA HIS 10 HA HIS 10 0.237 -1.885 -18.460 228 HB2 HIS 10 HB2 HIS 10 0.874 0.765 -17.101 229 HB3 HIS 10 HB3 HIS 10 2.009 -0.552 -17.254 230 HD1 HIS 10 HD1 HIS 10 2.745 -1.063 -19.977 231 HD2 HIS 10 HD2 HIS 10 0.629 2.421 -18.993 232 HE1 HIS 10 HE1 HIS 10 3.012 0.504 -21.976 233 H LEU 11 H LEU 11 -1.422 -0.027 -15.953 234 HA LEU 11 HA LEU 11 -0.274 -1.445 -13.713 235 HB2 LEU 11 HB2 LEU 11 -1.441 0.961 -14.020 236 HB3 LEU 11 HB3 LEU 11 -2.887 0.046 -13.610 237 HG LEU 11 HG LEU 11 -0.371 0.502 -11.949 238 HD11 LEU 11 HD11 LEU 11 -1.879 2.321 -11.841 239 HD12 LEU 11 HD12 LEU 11 -2.202 1.352 -10.375 240 HD13 LEU 11 HD13 LEU 11 -3.299 1.248 -11.760 241 HD21 LEU 11 HD21 LEU 11 -1.605 -0.779 -10.146 242 HD22 LEU 11 HD22 LEU 11 -0.855 -1.701 -11.448 243 HD23 LEU 11 HD23 LEU 11 -2.616 -1.444 -11.460 244 H VAL 12 H VAL 12 -3.340 -1.579 -15.518 245 HA VAL 12 HA VAL 12 -4.422 -3.955 -14.299 246 HB VAL 12 HB VAL 12 -4.781 -2.812 -17.093 247 HG11 VAL 12 HG11 VAL 12 -6.821 -4.286 -17.192 248 HG12 VAL 12 HG12 VAL 12 -5.293 -5.156 -17.326 249 HG13 VAL 12 HG13 VAL 12 -6.184 -5.170 -15.786 250 HG21 VAL 12 HG21 VAL 12 -6.980 -2.153 -16.207 251 HG22 VAL 12 HG22 VAL 12 -6.574 -2.869 -14.628 252 HG23 VAL 12 HG23 VAL 12 -5.685 -1.456 -15.224 253 H GLU 13 H GLU 13 -1.795 -3.561 -16.768 254 HA GLU 13 HA GLU 13 -1.847 -6.337 -17.533 255 HB2 GLU 13 HB2 GLU 13 -0.761 -4.367 -18.772 256 HB3 GLU 13 HB3 GLU 13 0.611 -4.563 -17.669 257 HG2 GLU 13 HG2 GLU 13 0.930 -6.874 -18.436 258 HG3 GLU 13 HG3 GLU 13 -0.513 -6.755 -19.450 259 H ALA 14 H ALA 14 -0.572 -4.703 -14.682 260 HA ALA 14 HA ALA 14 0.817 -7.181 -13.753 261 HB1 ALA 14 HB1 ALA 14 1.226 -5.822 -11.743 262 HB2 ALA 14 HB2 ALA 14 1.870 -5.062 -13.226 263 HB3 ALA 14 HB3 ALA 14 0.379 -4.439 -12.513 264 H LEU 15 H LEU 15 -2.001 -5.132 -12.803 265 HA LEU 15 HA LEU 15 -3.117 -6.579 -10.801 266 HB2 LEU 15 HB2 LEU 15 -3.740 -4.416 -12.252 267 HB3 LEU 15 HB3 LEU 15 -4.860 -5.542 -13.034 268 HG LEU 15 HG LEU 15 -4.708 -4.762 -10.136 269 HD11 LEU 15 HD11 LEU 15 -5.675 -3.058 -11.598 270 HD12 LEU 15 HD12 LEU 15 -6.985 -3.819 -10.681 271 HD13 LEU 15 HD13 LEU 15 -6.715 -4.253 -12.381 272 HD21 LEU 15 HD21 LEU 15 -6.341 -6.871 -11.508 273 HD22 LEU 15 HD22 LEU 15 -6.825 -6.110 -9.975 274 HD23 LEU 15 HD23 LEU 15 -5.297 -6.968 -10.059 275 H TYR 16 H TYR 16 -3.690 -7.114 -14.243 276 HA TYR 16 HA TYR 16 -5.539 -9.299 -14.136 277 HB2 TYR 16 HB2 TYR 16 -5.038 -7.568 -15.936 278 HB3 TYR 16 HB3 TYR 16 -3.582 -8.466 -16.332 279 HD1 TYR 16 HD1 TYR 16 -6.580 -7.616 -17.526 280 HD2 TYR 16 HD2 TYR 16 -4.312 -11.209 -16.752 281 HE1 TYR 16 HE1 TYR 16 -7.957 -8.857 -19.195 282 HE2 TYR 16 HE2 TYR 16 -5.665 -12.431 -18.411 283 HH TYR 16 HH TYR 16 -8.334 -10.872 -20.250 284 H LEU 17 H LEU 17 -2.050 -9.205 -13.916 285 HA LEU 17 HA LEU 17 -1.664 -12.072 -14.476 286 HB2 LEU 17 HB2 LEU 17 -0.081 -10.295 -15.247 287 HB3 LEU 17 HB3 LEU 17 0.173 -9.772 -13.620 288 HG LEU 17 HG LEU 17 1.168 -11.827 -12.906 289 HD11 LEU 17 HD11 LEU 17 0.932 -12.695 -15.839 290 HD12 LEU 17 HD12 LEU 17 0.152 -13.475 -14.445 291 HD13 LEU 17 HD13 LEU 17 1.908 -13.528 -14.616 292 HD21 LEU 17 HD21 LEU 17 2.585 -10.016 -13.770 293 HD22 LEU 17 HD22 LEU 17 2.456 -10.672 -15.421 294 HD23 LEU 17 HD23 LEU 17 3.295 -11.589 -14.154 295 H VAL 18 H VAL 18 -1.441 -9.717 -11.876 296 HA VAL 18 HA VAL 18 -0.626 -11.325 -9.677 297 HB VAL 18 HB VAL 18 -2.224 -8.729 -9.903 298 HG11 VAL 18 HG11 VAL 18 -1.102 -10.202 -7.515 299 HG12 VAL 18 HG12 VAL 18 -1.321 -8.456 -7.504 300 HG13 VAL 18 HG13 VAL 18 -2.717 -9.501 -7.759 301 HG21 VAL 18 HG21 VAL 18 -0.277 -7.633 -10.137 302 HG22 VAL 18 HG22 VAL 18 0.555 -8.558 -8.924 303 HG23 VAL 18 HG23 VAL 18 0.465 -9.174 -10.568 304 H CYS 19 H CYS 19 -3.801 -10.408 -10.932 305 HA CYS 19 HA CYS 19 -5.259 -12.052 -8.951 306 HB2 CYS 19 HB2 CYS 19 -6.207 -10.578 -11.403 307 HB3 CYS 19 HB3 CYS 19 -7.247 -11.365 -10.201 308 H GLY 20 H GLY 20 -3.989 -12.406 -12.214 309 HA2 GLY 20 HA2 GLY 20 -4.014 -14.129 -13.716 310 HA3 GLY 20 HA3 GLY 20 -4.042 -15.205 -12.301 311 H GLU 21 H GLU 21 -6.314 -13.014 -13.958 312 HA GLU 21 HA GLU 21 -8.509 -13.031 -14.376 313 HB2 GLU 21 HB2 GLU 21 -7.763 -15.814 -15.218 314 HB3 GLU 21 HB3 GLU 21 -9.327 -15.074 -15.594 315 HG2 GLU 21 HG2 GLU 21 -8.195 -13.234 -16.777 316 HG3 GLU 21 HG3 GLU 21 -6.619 -13.950 -16.414 317 H ARG 22 H ARG 22 -7.804 -14.099 -11.489 318 HA ARG 22 HA ARG 22 -10.300 -15.333 -10.643 319 HB2 ARG 22 HB2 ARG 22 -8.231 -13.662 -9.157 320 HB3 ARG 22 HB3 ARG 22 -9.654 -14.343 -8.382 321 HG2 ARG 22 HG2 ARG 22 -9.001 -16.614 -8.918 322 HG3 ARG 22 HG3 ARG 22 -7.583 -16.057 -9.807 323 HD2 ARG 22 HD2 ARG 22 -8.076 -15.491 -6.849 324 HD3 ARG 22 HD3 ARG 22 -7.152 -16.878 -7.436 325 HE ARG 22 HE ARG 22 -5.913 -14.794 -8.689 326 HH11 ARG 22 HH11 ARG 22 -4.014 -13.715 -7.886 327 HH12 ARG 22 HH12 ARG 22 -3.873 -13.597 -6.144 328 HH21 ARG 22 HH21 ARG 22 -6.628 -15.181 -5.232 329 HH22 ARG 22 HH22 ARG 22 -5.144 -14.314 -4.821 330 H GLY 23 H GLY 23 -9.574 -12.147 -11.639 331 HA2 GLY 23 HA2 GLY 23 -11.223 -10.581 -12.284 332 HA3 GLY 23 HA3 GLY 23 -12.345 -11.202 -11.092 333 H PHE 24 H PHE 24 -11.754 -8.541 -11.521 334 HA PHE 24 HA PHE 24 -10.844 -7.343 -9.014 335 HB2 PHE 24 HB2 PHE 24 -8.966 -6.176 -10.062 336 HB3 PHE 24 HB3 PHE 24 -8.695 -7.896 -10.003 337 HD1 PHE 24 HD1 PHE 24 -8.924 -5.014 -12.196 338 HD2 PHE 24 HD2 PHE 24 -8.770 -9.317 -12.034 339 HE1 PHE 24 HE1 PHE 24 -8.142 -5.083 -14.573 340 HE2 PHE 24 HE2 PHE 24 -8.169 -9.393 -14.430 341 HZ PHE 24 HZ PHE 24 -7.844 -7.274 -15.697 342 H PHE 25 H PHE 25 -10.574 -4.892 -9.426 343 HA PHE 25 HA PHE 25 -12.130 -3.814 -11.701 344 HB2 PHE 25 HB2 PHE 25 -13.408 -3.788 -9.374 345 HB3 PHE 25 HB3 PHE 25 -12.258 -2.502 -8.976 346 HD1 PHE 25 HD1 PHE 25 -12.824 -0.270 -9.551 347 HD2 PHE 25 HD2 PHE 25 -14.657 -3.540 -11.667 348 HE1 PHE 25 HE1 PHE 25 -14.269 1.339 -10.783 349 HE2 PHE 25 HE2 PHE 25 -16.098 -1.927 -12.914 350 HZ PHE 25 HZ PHE 25 -15.893 0.511 -12.479 351 H TYR 26 H TYR 26 -11.478 -1.599 -12.223 352 HA TYR 26 HA TYR 26 -9.009 -0.596 -10.955 353 HB2 TYR 26 HB2 TYR 26 -7.985 -0.150 -13.164 354 HB3 TYR 26 HB3 TYR 26 -8.071 -1.838 -12.701 355 HD1 TYR 26 HD1 TYR 26 -9.764 -3.376 -13.751 356 HD2 TYR 26 HD2 TYR 26 -9.041 0.612 -15.235 357 HE1 TYR 26 HE1 TYR 26 -10.889 -3.976 -15.874 358 HE2 TYR 26 HE2 TYR 26 -10.140 -0.006 -17.392 359 HH TYR 26 HH TYR 26 -11.519 -3.265 -17.967 360 H THR 27 H THR 27 -9.425 1.336 -10.317 361 HA THR 27 HA THR 27 -11.203 3.151 -11.910 362 HB THR 27 HB THR 27 -12.309 2.342 -9.993 363 HG1 THR 27 HG1 THR 27 -12.881 4.343 -9.161 364 HG21 THR 27 HG21 THR 27 -11.770 2.875 -7.712 365 HG22 THR 27 HG22 THR 27 -10.254 3.663 -8.180 366 HG23 THR 27 HG23 THR 27 -10.458 1.912 -8.404 367 HA PRO 28 HA PRO 28 -7.212 5.417 -11.681 368 HB2 PRO 28 HB2 PRO 28 -6.613 5.687 -14.305 369 HB3 PRO 28 HB3 PRO 28 -6.394 4.123 -13.463 370 HG2 PRO 28 HG2 PRO 28 -8.770 5.015 -15.143 371 HG3 PRO 28 HG3 PRO 28 -7.813 3.501 -15.303 372 HD2 PRO 28 HD2 PRO 28 -10.156 3.614 -13.875 373 HD3 PRO 28 HD3 PRO 28 -8.781 2.576 -13.383 374 H LYS 29 H LYS 29 -10.315 6.159 -12.878 375 HA LYS 29 HA LYS 29 -9.809 8.748 -14.013 376 HB2 LYS 29 HB2 LYS 29 -12.341 9.033 -13.768 377 HB3 LYS 29 HB3 LYS 29 -11.718 7.784 -14.816 378 HG2 LYS 29 HG2 LYS 29 -13.696 7.056 -13.614 379 HG3 LYS 29 HG3 LYS 29 -12.312 6.030 -13.330 380 HD2 LYS 29 HD2 LYS 29 -13.670 6.314 -11.321 381 HD3 LYS 29 HD3 LYS 29 -12.025 6.874 -11.087 382 HE2 LYS 29 HE2 LYS 29 -13.526 8.363 -9.960 383 HE3 LYS 29 HE3 LYS 29 -12.765 9.220 -11.288 384 HZ1 LYS 29 HZ1 LYS 29 -14.808 8.969 -12.566 385 HZ2 LYS 29 HZ2 LYS 29 -15.127 9.682 -11.127 386 HZ3 LYS 29 HZ3 LYS 29 -15.517 8.104 -11.353 387 H THR 30 H THR 30 -10.470 10.797 -13.378 388 HA THR 30 HA THR 30 -10.132 11.465 -10.517 389 HB THR 30 HB THR 30 -10.303 13.827 -11.373 390 HG1 THR 30 HG1 THR 30 -10.103 14.105 -13.598 391 HG21 THR 30 HG21 THR 30 -8.074 13.875 -12.343 392 HG22 THR 30 HG22 THR 30 -8.145 12.135 -12.702 393 HG23 THR 30 HG23 THR 30 -8.115 12.697 -11.020 394 H ARG 31 H ARG 31 -11.652 12.867 -9.448 395 HA ARG 31 HA ARG 31 -13.641 13.118 -8.434 396 HB2 ARG 31 HB2 ARG 31 -13.818 14.725 -10.342 397 HB3 ARG 31 HB3 ARG 31 -14.779 13.527 -11.217 398 HG2 ARG 31 HG2 ARG 31 -16.464 13.563 -9.351 399 HG3 ARG 31 HG3 ARG 31 -15.473 14.770 -8.518 400 HD2 ARG 31 HD2 ARG 31 -15.732 16.291 -10.498 401 HD3 ARG 31 HD3 ARG 31 -16.780 15.086 -11.254 402 HE ARG 31 HE ARG 31 -18.509 15.592 -9.767 403 HH11 ARG 31 HH11 ARG 31 -15.688 17.428 -8.781 404 HH12 ARG 31 HH12 ARG 31 -16.617 18.438 -7.708 405 HH21 ARG 31 HH21 ARG 31 -19.625 16.944 -8.415 406 HH22 ARG 31 HH22 ARG 31 -18.775 18.166 -7.515 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -5.865 5.994 -3.462 2 H2 GLY 1 H2 GLY 1 -6.122 4.615 -2.613 3 H3 GLY 1 H3 GLY 1 -7.392 5.427 -3.253 4 HA2 GLY 1 HA2 GLY 1 -6.964 3.498 -4.578 5 HA3 GLY 1 HA3 GLY 1 -6.638 4.976 -5.495 6 H ILE 2 H ILE 2 -5.534 2.343 -6.032 7 HA ILE 2 HA ILE 2 -2.781 2.328 -4.959 8 HB ILE 2 HB ILE 2 -3.953 0.238 -4.954 9 HG12 ILE 2 HG12 ILE 2 -1.990 0.132 -7.272 10 HG13 ILE 2 HG13 ILE 2 -1.485 0.339 -5.582 11 HG21 ILE 2 HG21 ILE 2 -5.629 0.662 -6.698 12 HG22 ILE 2 HG22 ILE 2 -4.358 0.640 -7.940 13 HG23 ILE 2 HG23 ILE 2 -4.767 -0.825 -6.988 14 HD11 ILE 2 HD11 ILE 2 -2.508 -1.862 -5.038 15 HD12 ILE 2 HD12 ILE 2 -2.888 -2.089 -6.764 16 HD13 ILE 2 HD13 ILE 2 -1.197 -1.945 -6.238 17 H VAL 3 H VAL 3 -4.297 2.674 -8.204 18 HA VAL 3 HA VAL 3 -2.296 3.152 -9.911 19 HB VAL 3 HB VAL 3 -4.529 5.183 -9.544 20 HG11 VAL 3 HG11 VAL 3 -2.909 5.725 -11.325 21 HG12 VAL 3 HG12 VAL 3 -3.116 4.108 -12.028 22 HG13 VAL 3 HG13 VAL 3 -4.463 5.266 -12.020 23 HG21 VAL 3 HG21 VAL 3 -5.964 3.800 -10.964 24 HG22 VAL 3 HG22 VAL 3 -4.779 2.495 -10.937 25 HG23 VAL 3 HG23 VAL 3 -5.624 2.974 -9.452 26 H GLU 4 H GLU 4 -3.242 5.516 -7.397 27 HA GLU 4 HA GLU 4 -1.431 7.499 -8.357 28 HB2 GLU 4 HB2 GLU 4 -3.339 8.014 -6.916 29 HB3 GLU 4 HB3 GLU 4 -2.607 7.130 -5.569 30 HG2 GLU 4 HG2 GLU 4 -0.797 8.723 -5.403 31 HG3 GLU 4 HG3 GLU 4 -1.260 9.497 -6.926 32 H GLN 5 H GLN 5 -0.927 4.732 -6.307 33 HA GLN 5 HA GLN 5 1.796 5.457 -5.486 34 HB2 GLN 5 HB2 GLN 5 -0.256 3.793 -4.464 35 HB3 GLN 5 HB3 GLN 5 0.966 2.667 -5.026 36 HG2 GLN 5 HG2 GLN 5 1.454 5.001 -3.117 37 HG3 GLN 5 HG3 GLN 5 1.213 3.328 -2.633 38 HE21 GLN 5 HE21 GLN 5 3.591 5.642 -3.715 39 HE22 GLN 5 HE22 GLN 5 4.908 4.493 -3.809 40 H CYS 6 H CYS 6 0.248 3.061 -7.686 41 HA CYS 6 HA CYS 6 2.828 1.953 -8.505 42 HB2 CYS 6 HB2 CYS 6 0.110 1.328 -9.555 43 HB3 CYS 6 HB3 CYS 6 1.641 0.456 -9.786 44 H CYS 7 H CYS 7 0.700 4.406 -9.934 45 HA CYS 7 HA CYS 7 2.076 4.171 -12.498 46 HB2 CYS 7 HB2 CYS 7 -0.269 4.856 -12.355 47 HB3 CYS 7 HB3 CYS 7 0.129 6.200 -11.331 48 H THR 8 H THR 8 2.450 6.093 -9.530 49 HA THR 8 HA THR 8 4.547 7.829 -10.669 50 HB THR 8 HB THR 8 4.656 8.841 -8.476 51 HG1 THR 8 HG1 THR 8 2.508 7.516 -7.422 52 HG21 THR 8 HG21 THR 8 2.378 9.720 -8.316 53 HG22 THR 8 HG22 THR 8 1.771 8.390 -9.335 54 HG23 THR 8 HG23 THR 8 2.894 9.586 -10.018 55 H SER 9 H SER 9 4.330 5.098 -8.399 56 HA SER 9 HA SER 9 7.300 4.872 -8.360 57 HB2 SER 9 HB2 SER 9 5.637 4.097 -5.983 58 HB3 SER 9 HB3 SER 9 7.339 4.493 -6.067 59 HG SER 9 HG SER 9 5.218 6.368 -6.422 60 H ILE 10 H ILE 10 7.706 2.585 -7.086 61 HA ILE 10 HA ILE 10 6.850 0.721 -9.143 62 HB ILE 10 HB ILE 10 8.606 -0.747 -8.172 63 HG12 ILE 10 HG12 ILE 10 9.153 1.666 -6.358 64 HG13 ILE 10 HG13 ILE 10 8.531 0.103 -5.835 65 HG21 ILE 10 HG21 ILE 10 10.375 0.599 -9.172 66 HG22 ILE 10 HG22 ILE 10 8.867 0.898 -10.050 67 HG23 ILE 10 HG23 ILE 10 9.456 2.095 -8.892 68 HD11 ILE 10 HD11 ILE 10 11.264 0.681 -7.006 69 HD12 ILE 10 HD12 ILE 10 10.868 0.263 -5.336 70 HD13 ILE 10 HD13 ILE 10 10.659 -0.954 -6.620 71 H CYS 11 H CYS 11 5.737 -1.048 -9.108 72 HA CYS 11 HA CYS 11 4.715 -2.184 -6.545 73 HB2 CYS 11 HB2 CYS 11 3.131 -1.330 -8.984 74 HB3 CYS 11 HB3 CYS 11 2.511 -2.427 -7.757 75 H SER 12 H SER 12 3.706 -4.252 -6.817 76 HA SER 12 HA SER 12 4.390 -6.087 -8.993 77 HB2 SER 12 HB2 SER 12 5.749 -7.527 -7.577 78 HB3 SER 12 HB3 SER 12 6.500 -5.922 -7.633 79 HG SER 12 HG SER 12 6.420 -6.638 -5.491 80 H LEU 13 H LEU 13 3.840 -8.465 -7.767 81 HA LEU 13 HA LEU 13 1.075 -8.476 -7.302 82 HB2 LEU 13 HB2 LEU 13 2.577 -10.539 -5.807 83 HB3 LEU 13 HB3 LEU 13 1.334 -10.744 -7.011 84 HG LEU 13 HG LEU 13 4.315 -10.353 -7.508 85 HD11 LEU 13 HD11 LEU 13 3.770 -12.501 -6.457 86 HD12 LEU 13 HD12 LEU 13 4.238 -12.754 -8.147 87 HD13 LEU 13 HD13 LEU 13 2.526 -12.817 -7.686 88 HD21 LEU 13 HD21 LEU 13 2.965 -9.597 -9.502 89 HD22 LEU 13 HD22 LEU 13 2.238 -11.225 -9.556 90 HD23 LEU 13 HD23 LEU 13 3.969 -11.013 -9.810 91 H TYR 14 H TYR 14 3.708 -7.907 -5.077 92 HA TYR 14 HA TYR 14 2.372 -8.184 -2.599 93 HB2 TYR 14 HB2 TYR 14 4.939 -7.606 -3.527 94 HB3 TYR 14 HB3 TYR 14 4.480 -6.101 -2.786 95 HD1 TYR 14 HD1 TYR 14 5.019 -9.718 -2.347 96 HD2 TYR 14 HD2 TYR 14 4.214 -6.009 -0.304 97 HE1 TYR 14 HE1 TYR 14 5.553 -10.806 -0.147 98 HE2 TYR 14 HE2 TYR 14 4.755 -7.083 1.881 99 HH TYR 14 HH TYR 14 5.394 -9.011 2.952 100 H GLN 15 H GLN 15 2.076 -5.629 -4.988 101 HA GLN 15 HA GLN 15 0.495 -3.936 -3.070 102 HB2 GLN 15 HB2 GLN 15 1.760 -3.213 -5.729 103 HB3 GLN 15 HB3 GLN 15 0.806 -2.140 -4.703 104 HG2 GLN 15 HG2 GLN 15 2.901 -3.265 -3.052 105 HG3 GLN 15 HG3 GLN 15 3.632 -2.786 -4.565 106 HE21 GLN 15 HE21 GLN 15 4.384 -0.607 -4.507 107 HE22 GLN 15 HE22 GLN 15 3.607 0.637 -3.551 108 H LEU 16 H LEU 16 0.456 -5.282 -6.408 109 HA LEU 16 HA LEU 16 -2.170 -4.381 -7.140 110 HB2 LEU 16 HB2 LEU 16 -0.306 -6.545 -8.108 111 HB3 LEU 16 HB3 LEU 16 -1.895 -6.251 -8.845 112 HG LEU 16 HG LEU 16 0.040 -5.342 -10.038 113 HD11 LEU 16 HD11 LEU 16 -1.162 -3.386 -10.750 114 HD12 LEU 16 HD12 LEU 16 -1.919 -3.215 -9.150 115 HD13 LEU 16 HD13 LEU 16 -2.385 -4.537 -10.226 116 HD21 LEU 16 HD21 LEU 16 0.804 -3.049 -9.427 117 HD22 LEU 16 HD22 LEU 16 1.361 -4.281 -8.295 118 HD23 LEU 16 HD23 LEU 16 -0.019 -3.226 -7.858 119 H GLU 17 H GLU 17 -1.261 -7.285 -5.274 120 HA GLU 17 HA GLU 17 -3.725 -8.629 -5.912 121 HB2 GLU 17 HB2 GLU 17 -1.440 -9.580 -5.128 122 HB3 GLU 17 HB3 GLU 17 -2.099 -9.353 -3.489 123 HG2 GLU 17 HG2 GLU 17 -4.091 -10.767 -4.301 124 HG3 GLU 17 HG3 GLU 17 -3.200 -10.980 -5.822 125 H ASN 18 H ASN 18 -3.382 -5.914 -4.286 126 HA ASN 18 HA ASN 18 -5.619 -6.199 -2.366 127 HB2 ASN 18 HB2 ASN 18 -3.936 -3.843 -3.350 128 HB3 ASN 18 HB3 ASN 18 -5.309 -3.652 -2.291 129 HD21 ASN 18 HD21 ASN 18 -1.989 -4.561 -2.480 130 HD22 ASN 18 HD22 ASN 18 -1.775 -4.924 -0.760 131 H TYR 19 H TYR 19 -5.313 -5.702 -5.828 132 HA TYR 19 HA TYR 19 -7.781 -4.064 -6.039 133 HB2 TYR 19 HB2 TYR 19 -5.849 -5.398 -7.943 134 HB3 TYR 19 HB3 TYR 19 -7.413 -4.862 -8.500 135 HD1 TYR 19 HD1 TYR 19 -4.132 -3.944 -8.289 136 HD2 TYR 19 HD2 TYR 19 -8.116 -2.424 -7.926 137 HE1 TYR 19 HE1 TYR 19 -3.533 -2.097 -9.804 138 HE2 TYR 19 HE2 TYR 19 -7.433 -0.321 -9.129 139 HH TYR 19 HH TYR 19 -4.257 -0.146 -10.813 140 H CYS 20 H CYS 20 -6.822 -7.445 -6.307 141 HA CYS 20 HA CYS 20 -8.733 -8.446 -7.884 142 HB2 CYS 20 HB2 CYS 20 -8.098 -9.958 -5.381 143 HB3 CYS 20 HB3 CYS 20 -8.354 -10.552 -7.030 144 H ASN 21 H ASN 21 -10.677 -9.728 -7.507 145 HA ASN 21 HA ASN 21 -12.424 -8.506 -5.554 146 HB2 ASN 21 HB2 ASN 21 -14.203 -9.894 -6.559 147 HB3 ASN 21 HB3 ASN 21 -13.260 -9.060 -7.785 148 HD21 ASN 21 HD21 ASN 21 -14.380 -10.784 -9.136 149 HD22 ASN 21 HD22 ASN 21 -13.464 -12.290 -9.312 150 H SER 22 H SER 22 -13.886 -9.944 -4.226 151 HA SER 22 HA SER 22 -12.326 -11.925 -2.619 152 HB2 SER 22 HB2 SER 22 -14.603 -10.107 -1.753 153 HB3 SER 22 HB3 SER 22 -13.841 -11.357 -0.755 154 HG SER 22 HG SER 22 -12.494 -9.126 -1.952 155 H1 PHE 1 H1 PHE 1 9.370 -12.151 -12.675 156 H2 PHE 1 H2 PHE 1 7.895 -12.792 -12.347 157 H3 PHE 1 H3 PHE 1 8.882 -12.312 -11.127 158 HA PHE 1 HA PHE 1 7.667 -10.543 -13.135 159 HB2 PHE 1 HB2 PHE 1 6.219 -9.687 -11.405 160 HB3 PHE 1 HB3 PHE 1 5.999 -11.416 -11.526 161 HD1 PHE 1 HD1 PHE 1 7.296 -8.659 -9.403 162 HD2 PHE 1 HD2 PHE 1 6.611 -12.920 -9.684 163 HE1 PHE 1 HE1 PHE 1 7.682 -8.894 -6.966 164 HE2 PHE 1 HE2 PHE 1 6.994 -13.137 -7.248 165 HZ PHE 1 HZ PHE 1 7.516 -11.122 -5.878 166 H VAL 2 H VAL 2 7.732 -8.183 -12.283 167 HA VAL 2 HA VAL 2 10.379 -7.529 -11.101 168 HB VAL 2 HB VAL 2 10.652 -7.576 -13.501 169 HG11 VAL 2 HG11 VAL 2 8.433 -5.502 -13.733 170 HG12 VAL 2 HG12 VAL 2 9.513 -6.038 -15.032 171 HG13 VAL 2 HG13 VAL 2 8.363 -7.174 -14.317 172 HG21 VAL 2 HG21 VAL 2 11.842 -5.870 -12.169 173 HG22 VAL 2 HG22 VAL 2 11.574 -5.398 -13.855 174 HG23 VAL 2 HG23 VAL 2 10.563 -4.695 -12.580 175 H LYS 3 H LYS 3 10.426 -5.703 -9.821 176 HA LYS 3 HA LYS 3 7.915 -4.352 -9.124 177 HB2 LYS 3 HB2 LYS 3 10.790 -3.777 -8.320 178 HB3 LYS 3 HB3 LYS 3 9.341 -2.975 -7.679 179 HG2 LYS 3 HG2 LYS 3 8.493 -5.116 -6.818 180 HG3 LYS 3 HG3 LYS 3 9.924 -5.960 -7.411 181 HD2 LYS 3 HD2 LYS 3 9.907 -3.746 -5.315 182 HD3 LYS 3 HD3 LYS 3 10.008 -5.485 -4.988 183 HE2 LYS 3 HE2 LYS 3 12.146 -5.581 -6.303 184 HE3 LYS 3 HE3 LYS 3 12.060 -3.833 -6.546 185 HZ1 LYS 3 HZ1 LYS 3 12.197 -3.544 -4.136 186 HZ2 LYS 3 HZ2 LYS 3 13.476 -4.406 -4.659 187 HZ3 LYS 3 HZ3 LYS 3 12.250 -5.165 -3.893 188 H GLN 4 H GLN 4 7.067 -2.803 -10.341 189 HA GLN 4 HA GLN 4 8.801 -0.978 -11.952 190 HB2 GLN 4 HB2 GLN 4 8.238 -3.206 -13.106 191 HB3 GLN 4 HB3 GLN 4 6.559 -2.638 -13.164 192 HG2 GLN 4 HG2 GLN 4 7.077 -0.960 -14.735 193 HG3 GLN 4 HG3 GLN 4 8.792 -0.927 -14.294 194 HE21 GLN 4 HE21 GLN 4 6.511 -3.558 -15.419 195 HE22 GLN 4 HE22 GLN 4 7.657 -4.154 -16.611 196 H HIS 5 H HIS 5 7.777 0.876 -12.795 197 HA HIS 5 HA HIS 5 5.270 1.700 -11.484 198 HB2 HIS 5 HB2 HIS 5 5.748 3.880 -12.637 199 HB3 HIS 5 HB3 HIS 5 6.856 3.382 -11.365 200 HD1 HIS 5 HD1 HIS 5 9.323 3.813 -12.005 201 HD2 HIS 5 HD2 HIS 5 6.831 2.956 -15.286 202 HE1 HIS 5 HE1 HIS 5 10.806 3.930 -14.076 203 H LEU 6 H LEU 6 3.394 1.932 -12.458 204 HA LEU 6 HA LEU 6 2.969 1.436 -15.359 205 HB2 LEU 6 HB2 LEU 6 1.651 -0.201 -13.187 206 HB3 LEU 6 HB3 LEU 6 1.562 -0.463 -14.895 207 HG LEU 6 HG LEU 6 4.104 -0.839 -13.347 208 HD11 LEU 6 HD11 LEU 6 3.584 -3.179 -13.261 209 HD12 LEU 6 HD12 LEU 6 1.970 -2.866 -13.926 210 HD13 LEU 6 HD13 LEU 6 2.431 -2.220 -12.337 211 HD21 LEU 6 HD21 LEU 6 4.232 -0.742 -15.922 212 HD22 LEU 6 HD22 LEU 6 3.214 -2.210 -15.897 213 HD23 LEU 6 HD23 LEU 6 4.810 -2.230 -15.147 214 H CYS 7 H CYS 7 1.042 2.235 -16.073 215 HA CYS 7 HA CYS 7 -0.783 3.674 -14.198 216 HB2 CYS 7 HB2 CYS 7 0.313 4.582 -16.884 217 HB3 CYS 7 HB3 CYS 7 -0.801 5.479 -15.867 218 H GLY 8 H GLY 8 -2.867 2.891 -14.511 219 HA2 GLY 8 HA2 GLY 8 -4.799 2.222 -15.603 220 HA3 GLY 8 HA3 GLY 8 -4.133 2.994 -17.054 221 H SER 9 H SER 9 -3.760 1.657 -18.751 222 HA SER 9 HA SER 9 -4.273 -1.103 -18.825 223 HB2 SER 9 HB2 SER 9 -2.415 0.543 -20.611 224 HB3 SER 9 HB3 SER 9 -3.171 -1.014 -21.040 225 HG SER 9 HG SER 9 -4.354 0.771 -21.874 226 H HIS 10 H HIS 10 -1.050 0.481 -18.342 227 HA HIS 10 HA HIS 10 0.435 -2.043 -18.370 228 HB2 HIS 10 HB2 HIS 10 1.046 0.636 -17.060 229 HB3 HIS 10 HB3 HIS 10 2.181 -0.690 -17.153 230 HD1 HIS 10 HD1 HIS 10 2.981 -1.260 -19.856 231 HD2 HIS 10 HD2 HIS 10 0.833 2.235 -18.988 232 HE1 HIS 10 HE1 HIS 10 3.288 0.269 -21.876 233 H LEU 11 H LEU 11 -1.250 -0.145 -15.886 234 HA LEU 11 HA LEU 11 -0.088 -1.620 -13.704 235 HB2 LEU 11 HB2 LEU 11 -0.972 0.790 -13.694 236 HB3 LEU 11 HB3 LEU 11 -2.589 0.113 -13.684 237 HG LEU 11 HG LEU 11 -2.302 -0.841 -11.576 238 HD11 LEU 11 HD11 LEU 11 -0.402 -0.828 -10.169 239 HD12 LEU 11 HD12 LEU 11 0.554 0.002 -11.446 240 HD13 LEU 11 HD13 LEU 11 -0.012 -1.673 -11.642 241 HD21 LEU 11 HD21 LEU 11 -1.156 1.926 -11.432 242 HD22 LEU 11 HD22 LEU 11 -2.087 1.031 -10.180 243 HD23 LEU 11 HD23 LEU 11 -2.861 1.497 -11.713 244 H VAL 12 H VAL 12 -3.132 -1.742 -15.535 245 HA VAL 12 HA VAL 12 -4.221 -4.051 -14.267 246 HB VAL 12 HB VAL 12 -4.588 -2.957 -17.077 247 HG11 VAL 12 HG11 VAL 12 -5.986 -5.337 -15.795 248 HG12 VAL 12 HG12 VAL 12 -6.603 -4.458 -17.213 249 HG13 VAL 12 HG13 VAL 12 -5.063 -5.319 -17.317 250 HG21 VAL 12 HG21 VAL 12 -6.800 -2.320 -16.193 251 HG22 VAL 12 HG22 VAL 12 -6.400 -3.068 -14.634 252 HG23 VAL 12 HG23 VAL 12 -5.518 -1.637 -15.188 253 H GLU 13 H GLU 13 -1.582 -3.710 -16.741 254 HA GLU 13 HA GLU 13 -1.635 -6.482 -17.490 255 HB2 GLU 13 HB2 GLU 13 -0.479 -4.563 -18.722 256 HB3 GLU 13 HB3 GLU 13 0.826 -4.704 -17.540 257 HG2 GLU 13 HG2 GLU 13 1.207 -7.053 -18.205 258 HG3 GLU 13 HG3 GLU 13 -0.157 -6.963 -19.324 259 H ALA 14 H ALA 14 -0.380 -4.854 -14.636 260 HA ALA 14 HA ALA 14 0.969 -7.323 -13.642 261 HB1 ALA 14 HB1 ALA 14 1.395 -5.942 -11.670 262 HB2 ALA 14 HB2 ALA 14 2.019 -5.160 -13.167 263 HB3 ALA 14 HB3 ALA 14 0.523 -4.567 -12.420 264 H LEU 15 H LEU 15 -1.880 -5.249 -12.821 265 HA LEU 15 HA LEU 15 -3.034 -6.680 -10.801 266 HB2 LEU 15 HB2 LEU 15 -3.651 -4.526 -12.259 267 HB3 LEU 15 HB3 LEU 15 -4.733 -5.674 -13.069 268 HG LEU 15 HG LEU 15 -4.638 -4.928 -10.160 269 HD11 LEU 15 HD11 LEU 15 -5.603 -3.207 -11.611 270 HD12 LEU 15 HD12 LEU 15 -6.926 -3.994 -10.737 271 HD13 LEU 15 HD13 LEU 15 -6.582 -4.410 -12.435 272 HD21 LEU 15 HD21 LEU 15 -6.695 -6.300 -9.981 273 HD22 LEU 15 HD22 LEU 15 -5.211 -7.183 -10.196 274 HD23 LEU 15 HD23 LEU 15 -6.296 -6.981 -11.590 275 H TYR 16 H TYR 16 -3.407 -7.258 -14.273 276 HA TYR 16 HA TYR 16 -5.269 -9.415 -14.145 277 HB2 TYR 16 HB2 TYR 16 -4.762 -7.716 -15.993 278 HB3 TYR 16 HB3 TYR 16 -3.364 -8.693 -16.421 279 HD1 TYR 16 HD1 TYR 16 -6.438 -7.807 -17.449 280 HD2 TYR 16 HD2 TYR 16 -4.213 -11.416 -16.649 281 HE1 TYR 16 HE1 TYR 16 -8.063 -9.155 -18.821 282 HE2 TYR 16 HE2 TYR 16 -5.840 -12.753 -17.880 283 HH TYR 16 HH TYR 16 -7.764 -12.715 -19.176 284 H LEU 17 H LEU 17 -1.736 -9.316 -13.916 285 HA LEU 17 HA LEU 17 -1.388 -12.197 -14.378 286 HB2 LEU 17 HB2 LEU 17 0.347 -10.406 -14.817 287 HB3 LEU 17 HB3 LEU 17 0.390 -10.028 -13.125 288 HG LEU 17 HG LEU 17 1.160 -12.248 -12.507 289 HD11 LEU 17 HD11 LEU 17 0.381 -13.615 -14.406 290 HD12 LEU 17 HD12 LEU 17 2.138 -13.735 -14.273 291 HD13 LEU 17 HD13 LEU 17 1.420 -12.695 -15.521 292 HD21 LEU 17 HD21 LEU 17 2.887 -10.828 -14.574 293 HD22 LEU 17 HD22 LEU 17 3.473 -11.956 -13.329 294 HD23 LEU 17 HD23 LEU 17 2.750 -10.412 -12.846 295 H VAL 18 H VAL 18 -1.620 -9.868 -11.806 296 HA VAL 18 HA VAL 18 -0.989 -11.544 -9.567 297 HB VAL 18 HB VAL 18 -2.044 -8.685 -9.919 298 HG11 VAL 18 HG11 VAL 18 -2.694 -9.360 -7.706 299 HG12 VAL 18 HG12 VAL 18 -1.174 -10.240 -7.445 300 HG13 VAL 18 HG13 VAL 18 -1.170 -8.476 -7.527 301 HG21 VAL 18 HG21 VAL 18 0.284 -8.090 -9.527 302 HG22 VAL 18 HG22 VAL 18 0.645 -9.756 -9.013 303 HG23 VAL 18 HG23 VAL 18 0.365 -9.400 -10.697 304 H CYS 19 H CYS 19 -3.927 -10.528 -11.036 305 HA CYS 19 HA CYS 19 -5.665 -11.969 -9.024 306 HB2 CYS 19 HB2 CYS 19 -6.255 -9.364 -10.459 307 HB3 CYS 19 HB3 CYS 19 -7.282 -10.190 -9.291 308 H GLY 20 H GLY 20 -5.020 -11.381 -12.383 309 HA2 GLY 20 HA2 GLY 20 -7.591 -11.249 -13.465 310 HA3 GLY 20 HA3 GLY 20 -6.215 -11.852 -14.367 311 H GLU 21 H GLU 21 -6.140 -14.253 -12.374 312 HA GLU 21 HA GLU 21 -8.103 -15.895 -13.804 313 HB2 GLU 21 HB2 GLU 21 -6.116 -16.623 -11.612 314 HB3 GLU 21 HB3 GLU 21 -7.122 -17.772 -12.505 315 HG2 GLU 21 HG2 GLU 21 -6.064 -16.979 -14.640 316 HG3 GLU 21 HG3 GLU 21 -4.965 -15.976 -13.691 317 H ARG 22 H ARG 22 -8.223 -14.088 -10.926 318 HA ARG 22 HA ARG 22 -10.680 -15.525 -9.943 319 HB2 ARG 22 HB2 ARG 22 -8.790 -13.572 -8.523 320 HB3 ARG 22 HB3 ARG 22 -10.335 -14.134 -7.888 321 HG2 ARG 22 HG2 ARG 22 -9.078 -15.705 -6.848 322 HG3 ARG 22 HG3 ARG 22 -9.323 -16.561 -8.360 323 HD2 ARG 22 HD2 ARG 22 -7.020 -16.776 -7.837 324 HD3 ARG 22 HD3 ARG 22 -7.100 -15.596 -9.153 325 HE ARG 22 HE ARG 22 -7.101 -14.535 -6.386 326 HH11 ARG 22 HH11 ARG 22 -4.990 -15.275 -9.103 327 HH12 ARG 22 HH12 ARG 22 -3.871 -14.000 -8.642 328 HH21 ARG 22 HH21 ARG 22 -5.532 -13.029 -5.855 329 HH22 ARG 22 HH22 ARG 22 -4.181 -12.804 -6.949 330 H GLY 23 H GLY 23 -9.416 -12.459 -11.044 331 HA2 GLY 23 HA2 GLY 23 -10.801 -10.826 -12.185 332 HA3 GLY 23 HA3 GLY 23 -12.159 -11.237 -11.148 333 H PHE 24 H PHE 24 -11.568 -8.704 -11.428 334 HA PHE 24 HA PHE 24 -10.557 -7.557 -8.929 335 HB2 PHE 24 HB2 PHE 24 -8.795 -6.316 -10.074 336 HB3 PHE 24 HB3 PHE 24 -8.477 -8.035 -10.051 337 HD1 PHE 24 HD1 PHE 24 -8.734 -9.410 -12.184 338 HD2 PHE 24 HD2 PHE 24 -8.778 -5.111 -12.117 339 HE1 PHE 24 HE1 PHE 24 -8.159 -9.371 -14.597 340 HE2 PHE 24 HE2 PHE 24 -8.017 -5.073 -14.508 341 HZ PHE 24 HZ PHE 24 -7.798 -7.201 -15.748 342 H PHE 25 H PHE 25 -10.451 -5.136 -9.069 343 HA PHE 25 HA PHE 25 -12.308 -3.876 -11.037 344 HB2 PHE 25 HB2 PHE 25 -13.569 -4.449 -8.993 345 HB3 PHE 25 HB3 PHE 25 -12.381 -3.635 -7.999 346 HD1 PHE 25 HD1 PHE 25 -14.905 -3.057 -10.722 347 HD2 PHE 25 HD2 PHE 25 -12.648 -1.327 -7.480 348 HE1 PHE 25 HE1 PHE 25 -16.307 -1.005 -10.836 349 HE2 PHE 25 HE2 PHE 25 -14.057 0.707 -7.585 350 HZ PHE 25 HZ PHE 25 -15.894 0.879 -9.262 351 H TYR 26 H TYR 26 -10.729 -2.830 -12.122 352 HA TYR 26 HA TYR 26 -8.354 -1.728 -10.881 353 HB2 TYR 26 HB2 TYR 26 -7.750 -1.232 -13.261 354 HB3 TYR 26 HB3 TYR 26 -8.129 -2.904 -12.913 355 HD1 TYR 26 HD1 TYR 26 -10.079 -4.011 -13.743 356 HD2 TYR 26 HD2 TYR 26 -9.314 0.126 -14.673 357 HE1 TYR 26 HE1 TYR 26 -11.940 -4.050 -15.405 358 HE2 TYR 26 HE2 TYR 26 -11.124 0.069 -16.389 359 HH TYR 26 HH TYR 26 -12.769 -1.172 -17.398 360 H THR 27 H THR 27 -11.356 -0.336 -11.179 361 HA THR 27 HA THR 27 -11.069 2.159 -12.336 362 HB THR 27 HB THR 27 -12.694 1.403 -9.906 363 HG1 THR 27 HG1 THR 27 -14.207 0.740 -11.382 364 HG21 THR 27 HG21 THR 27 -13.177 3.543 -12.034 365 HG22 THR 27 HG22 THR 27 -12.844 3.829 -10.306 366 HG23 THR 27 HG23 THR 27 -14.355 3.048 -10.799 367 HA PRO 28 HA PRO 28 -8.430 4.403 -9.379 368 HB2 PRO 28 HB2 PRO 28 -9.543 6.796 -10.838 369 HB3 PRO 28 HB3 PRO 28 -7.847 6.417 -10.417 370 HG2 PRO 28 HG2 PRO 28 -8.758 6.084 -12.954 371 HG3 PRO 28 HG3 PRO 28 -7.672 4.858 -12.225 372 HD2 PRO 28 HD2 PRO 28 -10.691 4.776 -12.475 373 HD3 PRO 28 HD3 PRO 28 -9.486 3.497 -12.823 374 H LYS 29 H LYS 29 -8.995 4.953 -7.340 375 HA LYS 29 HA LYS 29 -11.485 6.384 -6.678 376 HB2 LYS 29 HB2 LYS 29 -11.768 3.713 -6.976 377 HB3 LYS 29 HB3 LYS 29 -10.995 3.670 -5.407 378 HG2 LYS 29 HG2 LYS 29 -13.218 3.588 -4.859 379 HG3 LYS 29 HG3 LYS 29 -12.934 5.308 -4.666 380 HD2 LYS 29 HD2 LYS 29 -14.186 3.953 -7.103 381 HD3 LYS 29 HD3 LYS 29 -15.074 4.731 -5.798 382 HE2 LYS 29 HE2 LYS 29 -13.971 6.909 -6.362 383 HE3 LYS 29 HE3 LYS 29 -13.166 6.122 -7.734 384 HZ1 LYS 29 HZ1 LYS 29 -15.347 5.635 -8.668 385 HZ2 LYS 29 HZ2 LYS 29 -15.198 7.242 -8.428 386 HZ3 LYS 29 HZ3 LYS 29 -16.105 6.346 -7.408 387 H THR 30 H THR 30 -11.694 6.682 -4.286 388 HA THR 30 HA THR 30 -10.882 7.688 -2.416 389 HB THR 30 HB THR 30 -9.592 6.208 -0.943 390 HG1 THR 30 HG1 THR 30 -9.152 4.098 -1.762 391 HG21 THR 30 HG21 THR 30 -12.048 5.923 -1.231 392 HG22 THR 30 HG22 THR 30 -11.220 4.405 -0.847 393 HG23 THR 30 HG23 THR 30 -11.747 4.727 -2.514 394 H ARG 31 H ARG 31 -9.747 9.010 -4.396 395 HA ARG 31 HA ARG 31 -6.927 9.589 -3.580 396 HB2 ARG 31 HB2 ARG 31 -8.523 10.615 -5.963 397 HB3 ARG 31 HB3 ARG 31 -6.859 11.038 -5.554 398 HG2 ARG 31 HG2 ARG 31 -6.254 8.570 -5.767 399 HG3 ARG 31 HG3 ARG 31 -7.897 8.286 -6.355 400 HD2 ARG 31 HD2 ARG 31 -6.472 8.479 -8.271 401 HD3 ARG 31 HD3 ARG 31 -7.493 9.927 -8.206 402 HE ARG 31 HE ARG 31 -4.908 10.273 -6.865 403 HH11 ARG 31 HH11 ARG 31 -6.376 10.525 -10.058 404 HH12 ARG 31 HH12 ARG 31 -5.129 11.616 -10.592 405 HH21 ARG 31 HH21 ARG 31 -3.463 11.526 -7.565 406 HH22 ARG 31 HH22 ARG 31 -3.462 12.195 -9.203 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -6.182 5.592 -3.560 2 H2 GLY 1 H2 GLY 1 -7.317 6.358 -4.460 3 H3 GLY 1 H3 GLY 1 -5.736 6.753 -4.624 4 HA2 GLY 1 HA2 GLY 1 -6.920 4.142 -5.325 5 HA3 GLY 1 HA3 GLY 1 -6.485 5.403 -6.493 6 H ILE 2 H ILE 2 -5.476 2.627 -6.269 7 HA ILE 2 HA ILE 2 -2.807 2.623 -5.093 8 HB ILE 2 HB ILE 2 -3.953 0.558 -5.139 9 HG12 ILE 2 HG12 ILE 2 -2.149 0.247 -7.564 10 HG13 ILE 2 HG13 ILE 2 -1.482 0.572 -5.945 11 HG21 ILE 2 HG21 ILE 2 -5.660 0.992 -6.849 12 HG22 ILE 2 HG22 ILE 2 -4.412 0.995 -8.125 13 HG23 ILE 2 HG23 ILE 2 -4.801 -0.481 -7.185 14 HD11 ILE 2 HD11 ILE 2 -2.472 -1.527 -5.123 15 HD12 ILE 2 HD12 ILE 2 -3.097 -1.880 -6.756 16 HD13 ILE 2 HD13 ILE 2 -1.353 -1.770 -6.492 17 H VAL 3 H VAL 3 -4.071 3.045 -8.371 18 HA VAL 3 HA VAL 3 -1.964 3.437 -10.010 19 HB VAL 3 HB VAL 3 -4.187 5.484 -9.645 20 HG11 VAL 3 HG11 VAL 3 -4.002 5.697 -12.120 21 HG12 VAL 3 HG12 VAL 3 -2.495 6.138 -11.320 22 HG13 VAL 3 HG13 VAL 3 -2.634 4.558 -12.117 23 HG21 VAL 3 HG21 VAL 3 -5.529 4.174 -11.252 24 HG22 VAL 3 HG22 VAL 3 -4.360 2.850 -11.160 25 HG23 VAL 3 HG23 VAL 3 -5.308 3.319 -9.731 26 H GLU 4 H GLU 4 -2.845 5.740 -7.403 27 HA GLU 4 HA GLU 4 -1.018 7.713 -8.323 28 HB2 GLU 4 HB2 GLU 4 -2.900 8.154 -6.777 29 HB3 GLU 4 HB3 GLU 4 -2.066 7.262 -5.494 30 HG2 GLU 4 HG2 GLU 4 -0.241 8.893 -5.478 31 HG3 GLU 4 HG3 GLU 4 -0.928 9.724 -6.879 32 H GLN 5 H GLN 5 -0.570 4.907 -6.273 33 HA GLN 5 HA GLN 5 2.189 5.500 -5.511 34 HB2 GLN 5 HB2 GLN 5 0.418 4.092 -4.237 35 HB3 GLN 5 HB3 GLN 5 0.723 2.820 -5.382 36 HG2 GLN 5 HG2 GLN 5 2.041 2.357 -3.457 37 HG3 GLN 5 HG3 GLN 5 3.143 2.804 -4.750 38 HE21 GLN 5 HE21 GLN 5 4.354 4.830 -4.525 39 HE22 GLN 5 HE22 GLN 5 4.356 5.688 -2.991 40 H CYS 6 H CYS 6 0.558 3.163 -7.608 41 HA CYS 6 HA CYS 6 2.971 1.927 -8.535 42 HB2 CYS 6 HB2 CYS 6 0.189 1.714 -9.649 43 HB3 CYS 6 HB3 CYS 6 1.546 0.653 -10.043 44 H CYS 7 H CYS 7 1.043 4.526 -10.018 45 HA CYS 7 HA CYS 7 2.436 4.284 -12.566 46 HB2 CYS 7 HB2 CYS 7 0.119 5.069 -12.393 47 HB3 CYS 7 HB3 CYS 7 0.595 6.404 -11.370 48 H THR 8 H THR 8 2.807 6.276 -9.589 49 HA THR 8 HA THR 8 4.954 7.924 -10.769 50 HB THR 8 HB THR 8 5.058 9.078 -8.667 51 HG1 THR 8 HG1 THR 8 2.889 7.729 -7.563 52 HG21 THR 8 HG21 THR 8 2.834 10.040 -8.563 53 HG22 THR 8 HG22 THR 8 2.155 8.657 -9.464 54 HG23 THR 8 HG23 THR 8 3.312 9.761 -10.247 55 H SER 9 H SER 9 4.685 5.307 -8.365 56 HA SER 9 HA SER 9 7.657 5.077 -8.359 57 HB2 SER 9 HB2 SER 9 6.806 5.757 -6.191 58 HB3 SER 9 HB3 SER 9 5.755 4.331 -6.116 59 HG SER 9 HG SER 9 7.836 4.211 -5.000 60 H ILE 10 H ILE 10 6.995 2.400 -6.933 61 HA ILE 10 HA ILE 10 6.525 0.807 -9.406 62 HB ILE 10 HB ILE 10 8.427 -0.649 -8.622 63 HG12 ILE 10 HG12 ILE 10 8.911 1.692 -6.712 64 HG13 ILE 10 HG13 ILE 10 8.599 0.019 -6.291 65 HG21 ILE 10 HG21 ILE 10 10.088 0.709 -9.714 66 HG22 ILE 10 HG22 ILE 10 8.530 1.019 -10.482 67 HG23 ILE 10 HG23 ILE 10 9.198 2.203 -9.332 68 HD11 ILE 10 HD11 ILE 10 10.911 0.554 -5.963 69 HD12 ILE 10 HD12 ILE 10 10.814 -0.561 -7.355 70 HD13 ILE 10 HD13 ILE 10 11.063 1.199 -7.600 71 H CYS 11 H CYS 11 5.569 -1.120 -9.279 72 HA CYS 11 HA CYS 11 4.593 -2.094 -6.632 73 HB2 CYS 11 HB2 CYS 11 3.008 -1.354 -9.098 74 HB3 CYS 11 HB3 CYS 11 2.385 -2.441 -7.859 75 H SER 12 H SER 12 3.518 -4.156 -6.720 76 HA SER 12 HA SER 12 4.396 -6.245 -8.586 77 HB2 SER 12 HB2 SER 12 6.376 -5.834 -7.126 78 HB3 SER 12 HB3 SER 12 5.365 -6.099 -5.696 79 HG SER 12 HG SER 12 6.540 -7.985 -6.333 80 H LEU 13 H LEU 13 3.651 -8.476 -7.274 81 HA LEU 13 HA LEU 13 0.856 -8.413 -7.035 82 HB2 LEU 13 HB2 LEU 13 2.421 -10.372 -5.356 83 HB3 LEU 13 HB3 LEU 13 0.932 -10.593 -6.226 84 HG LEU 13 HG LEU 13 2.766 -10.211 -8.315 85 HD11 LEU 13 HD11 LEU 13 4.646 -11.733 -7.737 86 HD12 LEU 13 HD12 LEU 13 4.091 -11.786 -6.060 87 HD13 LEU 13 HD13 LEU 13 4.665 -10.257 -6.753 88 HD21 LEU 13 HD21 LEU 13 1.992 -12.842 -6.989 89 HD22 LEU 13 HD22 LEU 13 2.597 -12.625 -8.648 90 HD23 LEU 13 HD23 LEU 13 1.023 -11.958 -8.191 91 H TYR 14 H TYR 14 3.301 -7.840 -4.596 92 HA TYR 14 HA TYR 14 1.877 -7.852 -2.204 93 HB2 TYR 14 HB2 TYR 14 4.423 -7.148 -3.116 94 HB3 TYR 14 HB3 TYR 14 3.815 -5.623 -2.521 95 HD1 TYR 14 HD1 TYR 14 3.411 -5.332 -0.079 96 HD2 TYR 14 HD2 TYR 14 4.665 -9.113 -1.724 97 HE1 TYR 14 HE1 TYR 14 3.961 -6.139 2.216 98 HE2 TYR 14 HE2 TYR 14 5.214 -9.936 0.590 99 HH TYR 14 HH TYR 14 4.747 -7.879 3.489 100 H GLN 15 H GLN 15 1.718 -5.388 -4.769 101 HA GLN 15 HA GLN 15 -0.052 -3.643 -3.128 102 HB2 GLN 15 HB2 GLN 15 1.361 -3.272 -5.789 103 HB3 GLN 15 HB3 GLN 15 0.381 -2.048 -5.011 104 HG2 GLN 15 HG2 GLN 15 2.737 -3.222 -3.478 105 HG3 GLN 15 HG3 GLN 15 3.025 -2.135 -4.788 106 HE21 GLN 15 HE21 GLN 15 3.974 -0.712 -3.047 107 HE22 GLN 15 HE22 GLN 15 2.873 0.234 -2.056 108 H LEU 16 H LEU 16 0.127 -5.303 -6.297 109 HA LEU 16 HA LEU 16 -2.505 -4.561 -7.260 110 HB2 LEU 16 HB2 LEU 16 -0.425 -6.604 -8.007 111 HB3 LEU 16 HB3 LEU 16 -1.977 -6.423 -8.860 112 HG LEU 16 HG LEU 16 -0.036 -5.409 -9.954 113 HD11 LEU 16 HD11 LEU 16 -2.027 -3.266 -9.264 114 HD12 LEU 16 HD12 LEU 16 -2.579 -4.718 -10.091 115 HD13 LEU 16 HD13 LEU 16 -1.348 -3.721 -10.849 116 HD21 LEU 16 HD21 LEU 16 -0.260 -3.277 -7.815 117 HD22 LEU 16 HD22 LEU 16 0.622 -3.121 -9.356 118 HD23 LEU 16 HD23 LEU 16 1.150 -4.317 -8.161 119 H GLU 17 H GLU 17 -1.484 -7.412 -5.300 120 HA GLU 17 HA GLU 17 -3.882 -8.848 -6.032 121 HB2 GLU 17 HB2 GLU 17 -1.560 -9.718 -5.196 122 HB3 GLU 17 HB3 GLU 17 -2.294 -9.571 -3.593 123 HG2 GLU 17 HG2 GLU 17 -4.211 -11.011 -4.549 124 HG3 GLU 17 HG3 GLU 17 -3.227 -11.181 -6.013 125 H ASN 18 H ASN 18 -3.580 -6.187 -4.245 126 HA ASN 18 HA ASN 18 -5.802 -6.607 -2.340 127 HB2 ASN 18 HB2 ASN 18 -4.309 -4.093 -3.239 128 HB3 ASN 18 HB3 ASN 18 -5.575 -4.103 -2.053 129 HD21 ASN 18 HD21 ASN 18 -2.237 -4.583 -2.599 130 HD22 ASN 18 HD22 ASN 18 -1.797 -5.141 -0.987 131 H TYR 19 H TYR 19 -5.484 -5.845 -5.792 132 HA TYR 19 HA TYR 19 -7.998 -4.248 -5.894 133 HB2 TYR 19 HB2 TYR 19 -5.965 -5.346 -7.683 134 HB3 TYR 19 HB3 TYR 19 -7.505 -4.866 -8.373 135 HD1 TYR 19 HD1 TYR 19 -4.329 -4.015 -8.221 136 HD2 TYR 19 HD2 TYR 19 -8.185 -2.341 -7.502 137 HE1 TYR 19 HE1 TYR 19 -3.799 -2.302 -9.819 138 HE2 TYR 19 HE2 TYR 19 -7.560 -0.326 -8.885 139 HH TYR 19 HH TYR 19 -6.150 0.417 -10.528 140 H CYS 20 H CYS 20 -6.908 -7.612 -6.389 141 HA CYS 20 HA CYS 20 -8.898 -8.514 -7.987 142 HB2 CYS 20 HB2 CYS 20 -7.874 -10.210 -5.725 143 HB3 CYS 20 HB3 CYS 20 -8.365 -10.702 -7.364 144 H ASN 21 H ASN 21 -10.837 -9.770 -7.673 145 HA ASN 21 HA ASN 21 -12.313 -8.995 -5.246 146 HB2 ASN 21 HB2 ASN 21 -14.272 -10.129 -6.371 147 HB3 ASN 21 HB3 ASN 21 -13.628 -8.669 -7.119 148 HD21 ASN 21 HD21 ASN 21 -12.727 -12.150 -7.399 149 HD22 ASN 21 HD22 ASN 21 -12.817 -12.156 -9.165 150 H SER 22 H SER 22 -10.823 -10.070 -3.903 151 HA SER 22 HA SER 22 -9.934 -11.682 -2.596 152 HB2 SER 22 HB2 SER 22 -12.541 -13.152 -3.067 153 HB3 SER 22 HB3 SER 22 -11.336 -13.532 -1.819 154 HG SER 22 HG SER 22 -13.028 -12.137 -1.023 155 H1 PHE 1 H1 PHE 1 10.095 -12.186 -9.975 156 H2 PHE 1 H2 PHE 1 8.851 -12.992 -9.287 157 H3 PHE 1 H3 PHE 1 9.581 -11.761 -8.482 158 HA PHE 1 HA PHE 1 8.050 -11.473 -10.981 159 HB2 PHE 1 HB2 PHE 1 6.755 -12.011 -8.811 160 HB3 PHE 1 HB3 PHE 1 7.230 -10.420 -8.254 161 HD1 PHE 1 HD1 PHE 1 6.267 -8.369 -9.373 162 HD2 PHE 1 HD2 PHE 1 5.088 -12.361 -10.525 163 HE1 PHE 1 HE1 PHE 1 4.271 -7.453 -10.517 164 HE2 PHE 1 HE2 PHE 1 3.067 -11.436 -11.614 165 HZ PHE 1 HZ PHE 1 2.648 -8.986 -11.610 166 H VAL 2 H VAL 2 7.803 -9.320 -11.756 167 HA VAL 2 HA VAL 2 10.259 -7.731 -11.236 168 HB VAL 2 HB VAL 2 8.254 -7.480 -13.513 169 HG11 VAL 2 HG11 VAL 2 10.109 -6.305 -14.633 170 HG12 VAL 2 HG12 VAL 2 9.691 -5.468 -13.136 171 HG13 VAL 2 HG13 VAL 2 11.130 -6.500 -13.192 172 HG21 VAL 2 HG21 VAL 2 9.979 -8.657 -14.865 173 HG22 VAL 2 HG22 VAL 2 10.893 -9.009 -13.380 174 HG23 VAL 2 HG23 VAL 2 9.277 -9.711 -13.641 175 H LYS 3 H LYS 3 10.198 -5.943 -10.020 176 HA LYS 3 HA LYS 3 7.728 -4.535 -9.332 177 HB2 LYS 3 HB2 LYS 3 10.645 -3.767 -8.888 178 HB3 LYS 3 HB3 LYS 3 9.236 -2.947 -8.199 179 HG2 LYS 3 HG2 LYS 3 8.608 -4.999 -6.978 180 HG3 LYS 3 HG3 LYS 3 9.989 -5.856 -7.678 181 HD2 LYS 3 HD2 LYS 3 11.522 -4.168 -6.624 182 HD3 LYS 3 HD3 LYS 3 10.102 -3.456 -5.811 183 HE2 LYS 3 HE2 LYS 3 9.619 -5.662 -4.763 184 HE3 LYS 3 HE3 LYS 3 11.005 -6.367 -5.604 185 HZ1 LYS 3 HZ1 LYS 3 12.451 -4.857 -4.339 186 HZ2 LYS 3 HZ2 LYS 3 11.565 -5.751 -3.312 187 HZ3 LYS 3 HZ3 LYS 3 11.168 -4.188 -3.579 188 H GLN 4 H GLN 4 6.753 -3.012 -10.555 189 HA GLN 4 HA GLN 4 8.314 -1.600 -12.700 190 HB2 GLN 4 HB2 GLN 4 5.601 -2.929 -12.982 191 HB3 GLN 4 HB3 GLN 4 6.414 -1.956 -14.216 192 HG2 GLN 4 HG2 GLN 4 8.232 -3.615 -14.338 193 HG3 GLN 4 HG3 GLN 4 7.365 -4.622 -13.153 194 HE21 GLN 4 HE21 GLN 4 5.053 -5.245 -13.787 195 HE22 GLN 4 HE22 GLN 4 4.769 -5.544 -15.496 196 H HIS 5 H HIS 5 7.606 0.341 -13.398 197 HA HIS 5 HA HIS 5 5.585 1.838 -11.840 198 HB2 HIS 5 HB2 HIS 5 6.340 3.691 -13.427 199 HB3 HIS 5 HB3 HIS 5 7.444 3.170 -12.160 200 HD1 HIS 5 HD1 HIS 5 9.851 2.699 -12.921 201 HD2 HIS 5 HD2 HIS 5 7.001 2.421 -15.999 202 HE1 HIS 5 HE1 HIS 5 11.158 2.272 -15.068 203 H LEU 6 H LEU 6 3.522 1.997 -12.510 204 HA LEU 6 HA LEU 6 2.829 1.440 -15.355 205 HB2 LEU 6 HB2 LEU 6 1.622 -0.113 -13.051 206 HB3 LEU 6 HB3 LEU 6 1.380 -0.349 -14.754 207 HG LEU 6 HG LEU 6 4.052 -0.846 -13.490 208 HD11 LEU 6 HD11 LEU 6 1.752 -2.750 -13.872 209 HD12 LEU 6 HD12 LEU 6 2.434 -2.178 -12.333 210 HD13 LEU 6 HD13 LEU 6 3.395 -3.196 -13.407 211 HD21 LEU 6 HD21 LEU 6 4.487 -2.268 -15.390 212 HD22 LEU 6 HD22 LEU 6 3.958 -0.722 -16.051 213 HD23 LEU 6 HD23 LEU 6 2.840 -2.115 -15.974 214 H CYS 7 H CYS 7 1.125 2.486 -16.039 215 HA CYS 7 HA CYS 7 -0.667 3.950 -14.144 216 HB2 CYS 7 HB2 CYS 7 0.327 4.799 -16.880 217 HB3 CYS 7 HB3 CYS 7 -0.622 5.764 -15.752 218 H GLY 8 H GLY 8 -2.769 3.248 -14.342 219 HA2 GLY 8 HA2 GLY 8 -4.762 2.524 -15.264 220 HA3 GLY 8 HA3 GLY 8 -4.213 3.270 -16.761 221 H SER 9 H SER 9 -3.930 1.932 -18.464 222 HA SER 9 HA SER 9 -4.538 -0.810 -18.513 223 HB2 SER 9 HB2 SER 9 -2.718 0.765 -20.394 224 HB3 SER 9 HB3 SER 9 -3.567 -0.741 -20.790 225 HG SER 9 HG SER 9 -5.548 0.359 -20.571 226 H HIS 10 H HIS 10 -1.267 0.674 -18.183 227 HA HIS 10 HA HIS 10 0.170 -1.861 -18.309 228 HB2 HIS 10 HB2 HIS 10 0.842 0.799 -16.996 229 HB3 HIS 10 HB3 HIS 10 1.978 -0.514 -17.157 230 HD1 HIS 10 HD1 HIS 10 2.611 -1.069 -19.919 231 HD2 HIS 10 HD2 HIS 10 0.579 2.444 -18.868 232 HE1 HIS 10 HE1 HIS 10 2.835 0.498 -21.931 233 H LEU 11 H LEU 11 -1.423 -0.031 -15.740 234 HA LEU 11 HA LEU 11 -0.204 -1.490 -13.560 235 HB2 LEU 11 HB2 LEU 11 -1.561 0.888 -13.819 236 HB3 LEU 11 HB3 LEU 11 -2.860 -0.149 -13.236 237 HG LEU 11 HG LEU 11 -0.230 0.559 -11.862 238 HD11 LEU 11 HD11 LEU 11 -3.185 0.839 -11.195 239 HD12 LEU 11 HD12 LEU 11 -2.079 2.139 -11.700 240 HD13 LEU 11 HD13 LEU 11 -1.874 1.319 -10.126 241 HD21 LEU 11 HD21 LEU 11 -2.229 -1.556 -11.115 242 HD22 LEU 11 HD22 LEU 11 -1.091 -0.837 -9.950 243 HD23 LEU 11 HD23 LEU 11 -0.470 -1.736 -11.332 244 H VAL 12 H VAL 12 -3.288 -1.617 -15.325 245 HA VAL 12 HA VAL 12 -4.313 -4.003 -14.118 246 HB VAL 12 HB VAL 12 -4.761 -2.808 -16.899 247 HG11 VAL 12 HG11 VAL 12 -6.107 -5.219 -15.634 248 HG12 VAL 12 HG12 VAL 12 -6.802 -4.295 -16.991 249 HG13 VAL 12 HG13 VAL 12 -5.267 -5.145 -17.192 250 HG21 VAL 12 HG21 VAL 12 -6.476 -2.948 -14.391 251 HG22 VAL 12 HG22 VAL 12 -5.630 -1.504 -14.981 252 HG23 VAL 12 HG23 VAL 12 -6.955 -2.189 -15.929 253 H GLU 13 H GLU 13 -1.746 -3.531 -16.620 254 HA GLU 13 HA GLU 13 -1.765 -6.281 -17.490 255 HB2 GLU 13 HB2 GLU 13 -0.724 -4.258 -18.664 256 HB3 GLU 13 HB3 GLU 13 0.656 -4.468 -17.585 257 HG2 GLU 13 HG2 GLU 13 1.036 -6.726 -18.434 258 HG3 GLU 13 HG3 GLU 13 -0.443 -6.650 -19.397 259 H ALA 14 H ALA 14 -0.558 -4.749 -14.593 260 HA ALA 14 HA ALA 14 0.896 -7.232 -13.737 261 HB1 ALA 14 HB1 ALA 14 0.439 -4.528 -12.399 262 HB2 ALA 14 HB2 ALA 14 1.305 -5.925 -11.690 263 HB3 ALA 14 HB3 ALA 14 1.938 -5.101 -13.147 264 H LEU 15 H LEU 15 -2.019 -5.260 -12.843 265 HA LEU 15 HA LEU 15 -2.985 -6.799 -10.889 266 HB2 LEU 15 HB2 LEU 15 -3.791 -4.585 -11.923 267 HB3 LEU 15 HB3 LEU 15 -4.643 -5.603 -13.120 268 HG LEU 15 HG LEU 15 -6.099 -6.457 -11.727 269 HD11 LEU 15 HD11 LEU 15 -4.521 -5.590 -9.402 270 HD12 LEU 15 HD12 LEU 15 -4.735 -7.224 -9.960 271 HD13 LEU 15 HD13 LEU 15 -6.156 -6.409 -9.408 272 HD21 LEU 15 HD21 LEU 15 -5.640 -3.597 -11.004 273 HD22 LEU 15 HD22 LEU 15 -7.122 -4.495 -10.603 274 HD23 LEU 15 HD23 LEU 15 -6.619 -4.267 -12.297 275 H TYR 16 H TYR 16 -3.648 -7.210 -14.319 276 HA TYR 16 HA TYR 16 -5.542 -9.340 -14.287 277 HB2 TYR 16 HB2 TYR 16 -4.985 -7.569 -16.014 278 HB3 TYR 16 HB3 TYR 16 -3.515 -8.444 -16.406 279 HD1 TYR 16 HD1 TYR 16 -4.127 -11.117 -17.035 280 HD2 TYR 16 HD2 TYR 16 -6.535 -7.570 -17.601 281 HE1 TYR 16 HE1 TYR 16 -5.322 -12.241 -18.872 282 HE2 TYR 16 HE2 TYR 16 -7.783 -8.732 -19.427 283 HH TYR 16 HH TYR 16 -8.006 -10.640 -20.673 284 H LEU 17 H LEU 17 -2.101 -9.329 -13.929 285 HA LEU 17 HA LEU 17 -1.727 -12.191 -14.540 286 HB2 LEU 17 HB2 LEU 17 -0.151 -10.358 -15.250 287 HB3 LEU 17 HB3 LEU 17 0.118 -9.932 -13.596 288 HG LEU 17 HG LEU 17 1.081 -11.987 -12.980 289 HD11 LEU 17 HD11 LEU 17 0.034 -13.620 -14.483 290 HD12 LEU 17 HD12 LEU 17 1.780 -13.676 -14.723 291 HD13 LEU 17 HD13 LEU 17 0.759 -12.833 -15.904 292 HD21 LEU 17 HD21 LEU 17 3.194 -11.773 -14.260 293 HD22 LEU 17 HD22 LEU 17 2.510 -10.178 -13.899 294 HD23 LEU 17 HD23 LEU 17 2.342 -10.856 -15.528 295 H VAL 18 H VAL 18 -1.476 -9.846 -11.919 296 HA VAL 18 HA VAL 18 -0.748 -11.526 -9.746 297 HB VAL 18 HB VAL 18 -2.036 -8.754 -9.977 298 HG11 VAL 18 HG11 VAL 18 -2.748 -9.538 -7.834 299 HG12 VAL 18 HG12 VAL 18 -1.199 -10.366 -7.527 300 HG13 VAL 18 HG13 VAL 18 -1.281 -8.604 -7.537 301 HG21 VAL 18 HG21 VAL 18 0.718 -9.673 -9.031 302 HG22 VAL 18 HG22 VAL 18 0.414 -9.259 -10.702 303 HG23 VAL 18 HG23 VAL 18 0.246 -8.027 -9.473 304 H CYS 19 H CYS 19 -3.895 -10.407 -10.935 305 HA CYS 19 HA CYS 19 -5.337 -12.140 -9.006 306 HB2 CYS 19 HB2 CYS 19 -6.313 -10.379 -11.256 307 HB3 CYS 19 HB3 CYS 19 -7.342 -11.165 -10.037 308 H GLY 20 H GLY 20 -4.073 -12.429 -12.194 309 HA2 GLY 20 HA2 GLY 20 -4.068 -14.147 -13.714 310 HA3 GLY 20 HA3 GLY 20 -4.390 -15.197 -12.326 311 H GLU 21 H GLU 21 -6.257 -12.818 -14.219 312 HA GLU 21 HA GLU 21 -8.387 -12.680 -14.922 313 HB2 GLU 21 HB2 GLU 21 -7.645 -15.478 -15.768 314 HB3 GLU 21 HB3 GLU 21 -9.121 -14.675 -16.310 315 HG2 GLU 21 HG2 GLU 21 -7.798 -12.842 -17.283 316 HG3 GLU 21 HG3 GLU 21 -6.300 -13.600 -16.726 317 H ARG 22 H ARG 22 -8.093 -14.154 -12.049 318 HA ARG 22 HA ARG 22 -10.788 -15.259 -11.748 319 HB2 ARG 22 HB2 ARG 22 -8.897 -14.210 -9.617 320 HB3 ARG 22 HB3 ARG 22 -10.320 -15.226 -9.357 321 HG2 ARG 22 HG2 ARG 22 -9.248 -17.046 -10.726 322 HG3 ARG 22 HG3 ARG 22 -7.780 -16.069 -10.821 323 HD2 ARG 22 HD2 ARG 22 -9.058 -17.268 -8.349 324 HD3 ARG 22 HD3 ARG 22 -7.507 -17.686 -9.063 325 HE ARG 22 HE ARG 22 -6.590 -15.559 -8.354 326 HH11 ARG 22 HH11 ARG 22 -9.722 -16.200 -6.893 327 HH12 ARG 22 HH12 ARG 22 -9.509 -14.949 -5.683 328 HH21 ARG 22 HH21 ARG 22 -6.419 -13.985 -6.759 329 HH22 ARG 22 HH22 ARG 22 -7.799 -13.696 -5.708 330 H GLY 23 H GLY 23 -9.580 -12.057 -11.823 331 HA2 GLY 23 HA2 GLY 23 -11.174 -10.347 -12.426 332 HA3 GLY 23 HA3 GLY 23 -12.321 -10.986 -11.268 333 H PHE 24 H PHE 24 -11.540 -8.354 -11.501 334 HA PHE 24 HA PHE 24 -10.490 -7.498 -8.929 335 HB2 PHE 24 HB2 PHE 24 -8.604 -6.233 -10.034 336 HB3 PHE 24 HB3 PHE 24 -8.393 -7.961 -10.009 337 HD1 PHE 24 HD1 PHE 24 -8.444 -9.343 -12.041 338 HD2 PHE 24 HD2 PHE 24 -8.827 -5.056 -12.192 339 HE1 PHE 24 HE1 PHE 24 -7.980 -9.391 -14.474 340 HE2 PHE 24 HE2 PHE 24 -8.221 -5.092 -14.614 341 HZ PHE 24 HZ PHE 24 -7.861 -7.262 -15.758 342 H PHE 25 H PHE 25 -10.537 -5.183 -8.671 343 HA PHE 25 HA PHE 25 -12.299 -3.736 -10.634 344 HB2 PHE 25 HB2 PHE 25 -12.272 -3.669 -7.590 345 HB3 PHE 25 HB3 PHE 25 -13.017 -2.411 -8.587 346 HD1 PHE 25 HD1 PHE 25 -13.535 -5.683 -7.110 347 HD2 PHE 25 HD2 PHE 25 -14.760 -3.068 -10.315 348 HE1 PHE 25 HE1 PHE 25 -15.638 -6.987 -7.367 349 HE2 PHE 25 HE2 PHE 25 -16.858 -4.381 -10.576 350 HZ PHE 25 HZ PHE 25 -17.296 -6.336 -9.102 351 H TYR 26 H TYR 26 -10.716 -2.889 -11.805 352 HA TYR 26 HA TYR 26 -8.304 -1.706 -10.825 353 HB2 TYR 26 HB2 TYR 26 -8.097 -0.990 -13.232 354 HB3 TYR 26 HB3 TYR 26 -8.296 -2.710 -12.939 355 HD1 TYR 26 HD1 TYR 26 -10.002 0.338 -14.221 356 HD2 TYR 26 HD2 TYR 26 -10.237 -3.934 -13.657 357 HE1 TYR 26 HE1 TYR 26 -12.042 0.255 -15.657 358 HE2 TYR 26 HE2 TYR 26 -12.305 -4.007 -15.020 359 HH TYR 26 HH TYR 26 -13.800 -2.810 -16.293 360 H THR 27 H THR 27 -11.433 -0.386 -10.779 361 HA THR 27 HA THR 27 -11.174 2.269 -11.516 362 HB THR 27 HB THR 27 -12.738 1.265 -9.112 363 HG1 THR 27 HG1 THR 27 -14.358 0.834 -10.632 364 HG21 THR 27 HG21 THR 27 -13.283 3.525 -11.098 365 HG22 THR 27 HG22 THR 27 -12.842 3.719 -9.382 366 HG23 THR 27 HG23 THR 27 -14.382 2.988 -9.802 367 HA PRO 28 HA PRO 28 -8.232 3.697 -8.436 368 HB2 PRO 28 HB2 PRO 28 -8.069 6.356 -9.061 369 HB3 PRO 28 HB3 PRO 28 -7.411 5.067 -10.104 370 HG2 PRO 28 HG2 PRO 28 -10.091 6.467 -10.353 371 HG3 PRO 28 HG3 PRO 28 -8.863 6.193 -11.632 372 HD2 PRO 28 HD2 PRO 28 -10.997 4.530 -11.331 373 HD3 PRO 28 HD3 PRO 28 -9.390 3.894 -11.783 374 H LYS 29 H LYS 29 -11.449 5.121 -8.666 375 HA LYS 29 HA LYS 29 -11.333 6.425 -6.032 376 HB2 LYS 29 HB2 LYS 29 -12.589 7.415 -7.915 377 HB3 LYS 29 HB3 LYS 29 -13.653 6.002 -7.959 378 HG2 LYS 29 HG2 LYS 29 -14.455 6.519 -5.677 379 HG3 LYS 29 HG3 LYS 29 -13.298 7.843 -5.550 380 HD2 LYS 29 HD2 LYS 29 -15.557 8.677 -5.986 381 HD3 LYS 29 HD3 LYS 29 -14.453 9.091 -7.294 382 HE2 LYS 29 HE2 LYS 29 -16.649 8.454 -8.136 383 HE3 LYS 29 HE3 LYS 29 -15.405 7.348 -8.731 384 HZ1 LYS 29 HZ1 LYS 29 -16.166 5.681 -7.245 385 HZ2 LYS 29 HZ2 LYS 29 -17.542 6.320 -7.845 386 HZ3 LYS 29 HZ3 LYS 29 -17.031 6.709 -6.328 387 H THR 30 H THR 30 -12.109 5.683 -4.151 388 HA THR 30 HA THR 30 -12.880 2.816 -3.970 389 HB THR 30 HB THR 30 -12.044 3.054 -1.613 390 HG1 THR 30 HG1 THR 30 -10.884 4.913 -1.128 391 HG21 THR 30 HG21 THR 30 -10.033 3.878 -3.752 392 HG22 THR 30 HG22 THR 30 -10.572 2.219 -3.434 393 HG23 THR 30 HG23 THR 30 -9.673 3.105 -2.193 394 H ARG 31 H ARG 31 -14.591 5.630 -3.923 395 HA ARG 31 HA ARG 31 -16.636 4.583 -2.008 396 HB2 ARG 31 HB2 ARG 31 -15.300 6.417 -0.986 397 HB3 ARG 31 HB3 ARG 31 -15.780 7.491 -2.311 398 HG2 ARG 31 HG2 ARG 31 -18.164 7.251 -1.652 399 HG3 ARG 31 HG3 ARG 31 -17.700 6.124 -0.363 400 HD2 ARG 31 HD2 ARG 31 -16.359 7.917 0.709 401 HD3 ARG 31 HD3 ARG 31 -16.802 9.042 -0.571 402 HE ARG 31 HE ARG 31 -18.482 8.076 1.651 403 HH11 ARG 31 HH11 ARG 31 -20.421 9.063 2.049 404 HH12 ARG 31 HH12 ARG 31 -21.096 10.159 0.879 405 HH21 ARG 31 HH21 ARG 31 -18.538 9.844 -1.375 406 HH22 ARG 31 HH22 ARG 31 -20.063 10.599 -1.007
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