NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22792 | 2jr3 | 15318 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1H ASP 1 3.282 -0.796 -1.023 2 HA ASP 1 HA ASP 1 2.029 0.190 0.614 3 HB2 ASP 1 1HB ASP 1 3.663 -1.260 2.107 4 HB3 ASP 1 2HB ASP 1 4.328 0.318 2.518 5 H ASP 2 H ASP 2 2.920 1.796 -1.275 6 HA ASP 2 HA ASP 2 3.310 3.973 -1.809 7 HB2 ASP 2 1HB ASP 2 1.672 4.277 0.112 8 HB3 ASP 2 2HB ASP 2 3.071 4.588 1.136 9 H THR 3 H THR 3 5.524 3.015 -2.180 10 HA THR 3 HA THR 3 7.654 3.258 -0.424 11 HB THR 3 HB THR 3 8.909 3.771 -2.756 12 HG1 THR 3 HG1 THR 3 7.446 3.763 -4.289 13 HG21 THR 3 3HG2 THR 3 7.994 1.015 -2.734 14 HG22 THR 3 1HG2 THR 3 8.470 1.569 -1.130 15 HG23 THR 3 2HG2 THR 3 9.611 1.666 -2.472 16 HA PRO 4 HA PRO 4 8.603 7.522 -0.011 17 HB2 PRO 4 1HB PRO 4 11.318 7.514 -0.046 18 HB3 PRO 4 2HB PRO 4 10.373 6.899 1.315 19 HG2 PRO 4 1HG PRO 4 11.683 5.392 -0.915 20 HG3 PRO 4 2HG PRO 4 11.639 5.013 0.817 21 HD2 PRO 4 1HD PRO 4 10.018 3.800 -0.981 22 HD3 PRO 4 2HD PRO 4 9.522 4.112 0.695 23 H SER 5 H SER 5 10.381 9.181 -0.968 24 HA SER 5 HA SER 5 9.720 9.383 -3.762 25 HB2 SER 5 1HB SER 5 9.830 11.327 -2.119 26 HB3 SER 5 2HB SER 5 11.585 11.192 -2.221 27 HG SER 5 HG SER 5 11.345 12.443 -3.894 28 H SER 6 H SER 6 10.961 7.239 -4.048 29 HA SER 6 HA SER 6 13.832 7.704 -4.423 30 HB2 SER 6 1HB SER 6 12.329 5.091 -4.669 31 HB3 SER 6 2HB SER 6 14.075 5.311 -4.555 32 HG SER 6 HG SER 6 13.875 5.870 -2.445 33 H ARG 7 H ARG 7 14.370 5.854 -6.398 34 HA ARG 7 HA ARG 7 12.764 6.016 -8.690 35 HB2 ARG 7 1HB ARG 7 13.246 8.385 -8.686 36 HB3 ARG 7 2HB ARG 7 14.970 8.073 -8.526 37 HG2 ARG 7 1HG ARG 7 15.235 7.673 -10.720 38 HG3 ARG 7 2HG ARG 7 13.687 6.836 -10.862 39 HD2 ARG 7 1HD ARG 7 13.148 8.694 -12.040 40 HD3 ARG 7 2HD ARG 7 12.791 9.316 -10.429 41 HE ARG 7 HE ARG 7 14.457 10.830 -10.742 42 HH11 ARG 7 1HH1 ARG 7 15.096 8.073 -12.768 43 HH12 ARG 7 2HH1 ARG 7 16.507 8.769 -13.493 44 HH21 ARG 7 1HH2 ARG 7 16.313 11.758 -11.689 45 HH22 ARG 7 2HH2 ARG 7 17.199 10.864 -12.878 46 H CYS 8 H CYS 8 13.664 4.925 -10.469 47 HA CYS 8 HA CYS 8 15.539 2.931 -9.849 48 HB2 CYS 8 1HB CYS 8 14.537 3.919 -12.526 49 HB3 CYS 8 2HB CYS 8 15.515 2.470 -12.313 50 H GLY 9 H GLY 9 17.661 3.100 -9.608 51 HA2 GLY 9 1HA GLY 9 19.856 3.620 -10.127 52 HA3 GLY 9 2HA GLY 9 19.276 4.499 -11.534 53 H SER 10 H SER 10 18.059 5.172 -8.338 54 HA SER 10 HA SER 10 19.537 7.723 -8.372 55 HB2 SER 10 1HB SER 10 17.227 8.216 -8.743 56 HB3 SER 10 2HB SER 10 16.720 7.121 -7.457 57 HG SER 10 HG SER 10 18.096 9.585 -7.195 58 H GLY 11 H GLY 11 18.909 4.844 -6.686 59 HA2 GLY 11 1HA GLY 11 20.592 5.734 -4.488 60 HA3 GLY 11 2HA GLY 11 18.956 5.269 -4.046 61 H GLY 12 H GLY 12 18.322 3.096 -4.206 62 HA2 GLY 12 1HA GLY 12 20.603 1.231 -4.364 63 HA3 GLY 12 2HA GLY 12 19.171 0.978 -3.377 64 H TRP 13 H TRP 13 17.863 2.182 -6.036 65 HA TRP 13 HA TRP 13 17.187 -0.443 -7.063 66 HB2 TRP 13 1HB TRP 13 16.179 2.175 -8.156 67 HB3 TRP 13 2HB TRP 13 15.394 0.598 -8.182 68 HD1 TRP 13 HD1 TRP 13 15.852 3.674 -6.014 69 HE1 TRP 13 HE1 TRP 13 14.323 3.488 -3.952 70 HE3 TRP 13 HE3 TRP 13 14.321 -1.172 -6.573 71 HZ2 TRP 13 HZ2 TRP 13 12.684 1.545 -2.725 72 HZ3 TRP 13 HZ3 TRP 13 12.772 -2.118 -4.912 73 HH2 TRP 13 HH2 TRP 13 11.972 -0.787 -3.028 74 H GLY 14 H GLY 14 17.797 -1.291 -8.983 75 HA2 GLY 14 1HA GLY 14 20.111 -0.378 -10.266 76 HA3 GLY 14 2HA GLY 14 18.997 -1.569 -10.919 77 HA PRO 15 HA PRO 15 18.956 2.212 -13.634 78 HB2 PRO 15 1HB PRO 15 19.344 0.858 -15.955 79 HB3 PRO 15 2HB PRO 15 20.675 1.425 -14.940 80 HG2 PRO 15 1HG PRO 15 19.462 -1.306 -15.120 81 HG3 PRO 15 2HG PRO 15 21.172 -0.845 -15.028 82 HD2 PRO 15 1HD PRO 15 19.784 -1.730 -12.878 83 HD3 PRO 15 2HD PRO 15 21.098 -0.543 -12.744 84 H CYS 16 H CYS 16 17.725 -0.984 -14.656 85 HA CYS 16 HA CYS 16 15.009 -0.314 -14.453 86 HB2 CYS 16 1HB CYS 16 16.335 0.571 -16.895 87 HB3 CYS 16 2HB CYS 16 14.982 -0.508 -17.221 88 H LEU 17 H LEU 17 13.982 -2.191 -14.274 89 HA LEU 17 HA LEU 17 15.012 -4.510 -15.769 90 HB2 LEU 17 1HB LEU 17 15.703 -4.811 -13.511 91 HB3 LEU 17 2HB LEU 17 14.111 -4.365 -12.902 92 HG LEU 17 HG LEU 17 13.523 -6.551 -14.422 93 HD11 LEU 17 1HD1 LEU 17 15.131 -8.205 -14.245 94 HD12 LEU 17 2HD1 LEU 17 16.014 -7.355 -12.977 95 HD13 LEU 17 3HD1 LEU 17 16.090 -6.778 -14.642 96 HD21 LEU 17 3HD2 LEU 17 14.085 -7.563 -11.887 97 HD22 LEU 17 1HD2 LEU 17 12.555 -6.891 -12.451 98 HD23 LEU 17 2HD2 LEU 17 13.723 -5.855 -11.630 99 HA PRO 18 HA PRO 18 10.878 -4.911 -17.242 100 HB2 PRO 18 1HB PRO 18 10.988 -7.498 -18.055 101 HB3 PRO 18 2HB PRO 18 11.771 -6.181 -18.936 102 HG2 PRO 18 1HG PRO 18 12.960 -8.143 -17.014 103 HG3 PRO 18 2HG PRO 18 13.603 -7.562 -18.561 104 HD2 PRO 18 1HD PRO 18 14.455 -6.603 -16.176 105 HD3 PRO 18 2HD PRO 18 14.390 -5.601 -17.640 106 H ILE 19 H ILE 19 9.081 -5.153 -16.084 107 HA ILE 19 HA ILE 19 8.921 -6.456 -13.627 108 HB ILE 19 HB ILE 19 6.608 -5.888 -15.482 109 HG12 ILE 19 1HG1 ILE 19 7.897 -4.112 -13.397 110 HG13 ILE 19 2HG1 ILE 19 8.000 -3.888 -15.139 111 HG21 ILE 19 1HG2 ILE 19 5.936 -5.489 -12.779 112 HG22 ILE 19 2HG2 ILE 19 5.355 -6.750 -13.867 113 HG23 ILE 19 3HG2 ILE 19 6.780 -7.035 -12.868 114 HD11 ILE 19 3HD1 ILE 19 5.606 -3.582 -13.363 115 HD12 ILE 19 1HD1 ILE 19 6.377 -2.374 -14.389 116 HD13 ILE 19 2HD1 ILE 19 5.476 -3.704 -15.117 117 H VAL 20 H VAL 20 8.732 -7.723 -16.808 118 HA VAL 20 HA VAL 20 7.113 -9.968 -16.454 119 HB VAL 20 HB VAL 20 8.065 -9.133 -18.635 120 HG11 VAL 20 1HG1 VAL 20 10.477 -9.373 -17.448 121 HG12 VAL 20 2HG1 VAL 20 10.409 -10.891 -18.346 122 HG13 VAL 20 3HG1 VAL 20 10.236 -9.354 -19.195 123 HG21 VAL 20 3HG2 VAL 20 7.741 -11.168 -19.648 124 HG22 VAL 20 1HG2 VAL 20 8.656 -12.046 -18.421 125 HG23 VAL 20 2HG2 VAL 20 7.024 -11.479 -18.067 126 H ASP 21 H ASP 21 10.281 -9.287 -15.280 127 HA ASP 21 HA ASP 21 10.572 -12.083 -14.397 128 HB2 ASP 21 1HB ASP 21 12.372 -11.238 -15.907 129 HB3 ASP 21 2HB ASP 21 12.760 -10.017 -14.698 130 H LEU 22 H LEU 22 9.672 -9.100 -13.348 131 HA LEU 22 HA LEU 22 10.949 -8.540 -11.004 132 HB2 LEU 22 1HB LEU 22 8.626 -7.724 -12.216 133 HB3 LEU 22 2HB LEU 22 8.044 -8.441 -10.715 134 HG LEU 22 HG LEU 22 9.782 -6.917 -9.570 135 HD11 LEU 22 1HD1 LEU 22 9.461 -4.936 -11.667 136 HD12 LEU 22 2HD1 LEU 22 10.427 -6.318 -12.183 137 HD13 LEU 22 3HD1 LEU 22 10.898 -5.398 -10.754 138 HD21 LEU 22 3HD2 LEU 22 7.197 -6.719 -9.749 139 HD22 LEU 22 1HD2 LEU 22 7.555 -5.391 -10.854 140 HD23 LEU 22 2HD2 LEU 22 8.140 -5.337 -9.190 141 H LEU 23 H LEU 23 10.498 -9.034 -8.775 142 HA LEU 23 HA LEU 23 9.149 -11.592 -8.300 143 HB2 LEU 23 1HB LEU 23 11.331 -12.364 -8.417 144 HB3 LEU 23 2HB LEU 23 11.992 -10.900 -7.692 145 HG LEU 23 HG LEU 23 10.271 -12.642 -6.004 146 HD11 LEU 23 1HD1 LEU 23 12.512 -13.817 -5.405 147 HD12 LEU 23 2HD1 LEU 23 12.972 -13.370 -7.047 148 HD13 LEU 23 3HD1 LEU 23 11.560 -14.390 -6.774 149 HD21 LEU 23 3HD2 LEU 23 10.959 -10.873 -4.755 150 HD22 LEU 23 1HD2 LEU 23 12.441 -10.649 -5.683 151 HD23 LEU 23 2HD2 LEU 23 12.338 -11.939 -4.485 152 H CYS 24 H CYS 24 9.918 -8.421 -7.349 153 HA CYS 24 HA CYS 24 8.906 -8.838 -4.628 154 HB2 CYS 24 1HB CYS 24 9.774 -6.138 -5.471 155 HB3 CYS 24 2HB CYS 24 10.096 -7.011 -3.976 156 H ILE 25 H ILE 25 7.592 -6.801 -3.855 157 HA ILE 25 HA ILE 25 5.555 -6.205 -5.900 158 HB ILE 25 HB ILE 25 5.021 -6.675 -2.966 159 HG12 ILE 25 1HG1 ILE 25 4.309 -8.436 -5.320 160 HG13 ILE 25 2HG1 ILE 25 5.665 -8.734 -4.237 161 HG21 ILE 25 1HG2 ILE 25 3.543 -5.311 -4.931 162 HG22 ILE 25 2HG2 ILE 25 2.727 -6.851 -4.666 163 HG23 ILE 25 3HG2 ILE 25 3.025 -5.767 -3.308 164 HD11 ILE 25 3HD1 ILE 25 2.741 -8.967 -3.720 165 HD12 ILE 25 1HD1 ILE 25 4.041 -10.107 -3.374 166 HD13 ILE 25 2HD1 ILE 25 3.849 -8.660 -2.383 167 H VAL 26 H VAL 26 7.275 -5.127 -3.030 168 HA VAL 26 HA VAL 26 6.082 -2.477 -3.179 169 HB VAL 26 HB VAL 26 8.312 -3.288 -1.331 170 HG11 VAL 26 1HG1 VAL 26 6.267 -1.113 -1.429 171 HG12 VAL 26 2HG1 VAL 26 6.927 -1.630 0.124 172 HG13 VAL 26 3HG1 VAL 26 8.002 -1.010 -1.130 173 HG21 VAL 26 3HG2 VAL 26 6.656 -4.986 -1.024 174 HG22 VAL 26 1HG2 VAL 26 6.519 -3.850 0.319 175 HG23 VAL 26 2HG2 VAL 26 5.358 -3.792 -1.007 176 H HIS 27 H HIS 27 8.101 -3.779 -5.146 177 HA HIS 27 HA HIS 27 10.525 -2.410 -5.059 178 HB2 HIS 27 1HB HIS 27 10.844 -3.069 -7.302 179 HB3 HIS 27 2HB HIS 27 9.823 -4.324 -6.607 180 HD1 HIS 27 HD1 HIS 27 10.090 -3.178 -9.692 181 HD2 HIS 27 HD2 HIS 27 6.921 -2.806 -7.031 182 HE1 HIS 27 HE1 HIS 27 8.058 -2.779 -11.119 183 H VAL 28 H VAL 28 10.930 -0.963 -7.288 184 HA VAL 28 HA VAL 28 9.076 1.316 -7.033 185 HB VAL 28 HB VAL 28 12.073 1.283 -7.099 186 HG11 VAL 28 1HG1 VAL 28 10.269 3.515 -8.005 187 HG12 VAL 28 2HG1 VAL 28 11.936 3.772 -7.486 188 HG13 VAL 28 3HG1 VAL 28 11.595 2.760 -8.890 189 HG21 VAL 28 3HG2 VAL 28 10.087 2.850 -5.455 190 HG22 VAL 28 1HG2 VAL 28 10.895 1.369 -4.941 191 HG23 VAL 28 2HG2 VAL 28 11.837 2.829 -5.242 192 H THR 29 H THR 29 8.508 2.398 -8.882 193 HA THR 29 HA THR 29 9.640 1.435 -11.419 194 HB THR 29 HB THR 29 7.170 1.808 -12.276 195 HG1 THR 29 HG1 THR 29 6.887 1.270 -9.499 196 HG21 THR 29 3HG2 THR 29 7.818 -0.309 -12.725 197 HG22 THR 29 1HG2 THR 29 6.810 -0.707 -11.334 198 HG23 THR 29 2HG2 THR 29 8.554 -0.531 -11.138 199 H VAL 30 H VAL 30 10.443 3.770 -10.201 200 HA VAL 30 HA VAL 30 9.071 5.873 -11.741 201 HB VAL 30 HB VAL 30 10.929 6.315 -9.407 202 HG11 VAL 30 1HG1 VAL 30 9.620 8.501 -9.358 203 HG12 VAL 30 2HG1 VAL 30 10.766 8.282 -10.683 204 HG13 VAL 30 3HG1 VAL 30 9.039 8.056 -10.963 205 HG21 VAL 30 3HG2 VAL 30 8.339 6.910 -8.586 206 HG22 VAL 30 1HG2 VAL 30 8.200 5.362 -9.418 207 HG23 VAL 30 2HG2 VAL 30 9.324 5.541 -8.070 208 H GLY 31 H GLY 31 10.196 7.119 -13.163 209 HA2 GLY 31 1HA GLY 31 12.030 7.983 -14.301 210 HA3 GLY 31 2HA GLY 31 13.088 7.084 -13.223 211 H CYS 32 H CYS 32 11.010 4.811 -14.141 212 HA CYS 32 HA CYS 32 12.762 3.913 -16.309 213 HB2 CYS 32 1HB CYS 32 11.049 2.554 -14.291 214 HB3 CYS 32 2HB CYS 32 11.250 1.756 -15.848 215 H SER 33 H SER 33 11.398 2.304 -17.829 216 HA SER 33 HA SER 33 9.546 4.050 -19.207 217 HB2 SER 33 1HB SER 33 11.226 1.784 -19.901 218 HB3 SER 33 2HB SER 33 9.600 1.607 -20.559 219 HG SER 33 HG SER 33 11.592 3.259 -21.338 220 H GLY 34 H GLY 34 7.447 3.301 -19.972 221 HA2 GLY 34 1HA GLY 34 5.843 2.308 -17.877 222 HA3 GLY 34 2HA GLY 34 5.328 2.531 -19.543 223 H GLY 35 H GLY 35 6.549 0.287 -17.184 224 HA2 GLY 35 1HA GLY 35 5.490 -1.988 -17.581 225 HA3 GLY 35 2HA GLY 35 6.274 -1.897 -19.152 226 H PHE 36 H PHE 36 8.312 -0.398 -17.071 227 HA PHE 36 HA PHE 36 9.677 -2.888 -16.305 228 HB2 PHE 36 1HB PHE 36 11.050 -0.444 -17.440 229 HB3 PHE 36 2HB PHE 36 11.820 -1.955 -16.967 230 HD1 PHE 36 HD1 PHE 36 9.466 -0.441 -19.383 231 HD2 PHE 36 HD2 PHE 36 11.962 -3.763 -18.456 232 HE1 PHE 36 HE1 PHE 36 9.157 -1.306 -21.666 233 HE2 PHE 36 HE2 PHE 36 11.657 -4.632 -20.738 234 HZ PHE 36 HZ PHE 36 10.254 -3.404 -22.346 235 H GLY 37 H GLY 37 10.340 -2.950 -14.248 236 HA2 GLY 37 1HA GLY 37 10.418 -0.395 -12.762 237 HA3 GLY 37 2HA GLY 37 9.777 -1.880 -12.075 238 H CYS 38 H CYS 38 11.403 -1.202 -10.388 239 HA CYS 38 HA CYS 38 13.846 -2.716 -10.842 240 HB2 CYS 38 1HB CYS 38 15.130 -0.774 -9.694 241 HB3 CYS 38 2HB CYS 38 14.771 -0.652 -11.413 242 H CYS 39 H CYS 39 14.687 -3.628 -8.998 243 HA CYS 39 HA CYS 39 13.155 -3.159 -6.524 244 HB2 CYS 39 1HB CYS 39 13.189 -5.480 -7.888 245 HB3 CYS 39 2HB CYS 39 14.605 -5.723 -6.871 246 H ARG 40 H ARG 40 14.381 -3.751 -4.513 247 HA ARG 40 HA ARG 40 16.711 -2.215 -4.308 248 HB2 ARG 40 1HB ARG 40 15.769 -4.407 -2.450 249 HB3 ARG 40 2HB ARG 40 16.919 -3.138 -2.053 250 HG2 ARG 40 1HG ARG 40 14.143 -2.476 -2.955 251 HG3 ARG 40 2HG ARG 40 14.491 -2.881 -1.273 252 HD2 ARG 40 1HD ARG 40 16.033 -0.771 -2.752 253 HD3 ARG 40 2HD ARG 40 14.514 -0.409 -1.933 254 HE ARG 40 HE ARG 40 15.783 -1.475 0.074 255 HH11 ARG 40 1HH1 ARG 40 17.111 0.592 -2.393 256 HH12 ARG 40 2HH1 ARG 40 18.339 1.251 -1.364 257 HH21 ARG 40 1HH2 ARG 40 17.395 -0.614 1.439 258 HH22 ARG 40 2HH2 ARG 40 18.500 0.564 0.816 259 H ILE 41 H ILE 41 18.510 -2.693 -5.407 260 HA ILE 41 HA ILE 41 19.361 -5.458 -5.718 261 HB ILE 41 HB ILE 41 20.591 -2.912 -6.779 262 HG12 ILE 41 1HG1 ILE 41 18.895 -5.021 -8.134 263 HG13 ILE 41 2HG1 ILE 41 18.383 -3.385 -7.736 264 HG21 ILE 41 1HG2 ILE 41 21.898 -4.399 -8.234 265 HG22 ILE 41 2HG2 ILE 41 22.258 -4.654 -6.528 266 HG23 ILE 41 3HG2 ILE 41 21.227 -5.795 -7.391 267 HD11 ILE 41 3HD1 ILE 41 20.248 -2.581 -9.235 268 HD12 ILE 41 1HD1 ILE 41 20.400 -4.252 -9.778 269 HD13 ILE 41 2HD1 ILE 41 18.889 -3.377 -10.028 270 H GLY 42 H GLY 42 20.741 -2.415 -4.469 271 HA2 GLY 42 1HA GLY 42 22.227 -3.982 -2.490 272 HA3 GLY 42 2HA GLY 42 23.147 -2.940 -3.566 Start of MODEL 2 1 H1 ASP 1 1H ASP 1 1.739 -0.036 0.755 2 HA ASP 1 HA ASP 1 2.910 -0.657 -1.188 3 HB2 ASP 1 1HB ASP 1 0.824 -1.583 -2.189 4 HB3 ASP 1 2HB ASP 1 0.384 0.045 -2.697 5 H ASP 2 H ASP 2 3.256 1.620 0.139 6 HA ASP 2 HA ASP 2 3.400 3.678 -1.966 7 HB2 ASP 2 1HB ASP 2 3.336 4.325 0.972 8 HB3 ASP 2 2HB ASP 2 2.997 5.383 -0.395 9 H THR 3 H THR 3 5.438 3.636 -2.681 10 HA THR 3 HA THR 3 7.647 3.057 -0.902 11 HB THR 3 HB THR 3 8.801 3.837 -3.269 12 HG1 THR 3 HG1 THR 3 7.358 3.712 -4.802 13 HG21 THR 3 3HG2 THR 3 8.170 1.120 -3.586 14 HG22 THR 3 1HG2 THR 3 8.251 1.398 -1.847 15 HG23 THR 3 2HG2 THR 3 9.628 1.806 -2.870 16 HA PRO 4 HA PRO 4 8.949 7.152 -0.008 17 HB2 PRO 4 1HB PRO 4 11.652 6.940 -0.145 18 HB3 PRO 4 2HB PRO 4 10.698 6.234 1.166 19 HG2 PRO 4 1HG PRO 4 11.821 4.921 -1.279 20 HG3 PRO 4 2HG PRO 4 11.794 4.334 0.394 21 HD2 PRO 4 1HD PRO 4 10.032 3.482 -1.477 22 HD3 PRO 4 2HD PRO 4 9.608 3.620 0.242 23 H SER 5 H SER 5 10.772 8.807 -0.816 24 HA SER 5 HA SER 5 10.094 9.348 -3.565 25 HB2 SER 5 1HB SER 5 10.242 11.109 -1.756 26 HB3 SER 5 2HB SER 5 11.993 10.905 -1.800 27 HG SER 5 HG SER 5 10.395 12.304 -3.465 28 H SER 6 H SER 6 11.298 7.168 -4.004 29 HA SER 6 HA SER 6 14.150 7.694 -4.486 30 HB2 SER 6 1HB SER 6 12.830 5.450 -3.432 31 HB3 SER 6 2HB SER 6 13.339 4.975 -5.052 32 HG SER 6 HG SER 6 14.828 5.331 -2.825 33 H ARG 7 H ARG 7 14.632 5.841 -6.469 34 HA ARG 7 HA ARG 7 12.902 5.867 -8.659 35 HB2 ARG 7 1HB ARG 7 13.107 8.220 -8.831 36 HB3 ARG 7 2HB ARG 7 14.841 8.168 -8.541 37 HG2 ARG 7 1HG ARG 7 15.325 7.715 -10.694 38 HG3 ARG 7 2HG ARG 7 13.893 6.708 -10.917 39 HD2 ARG 7 1HD ARG 7 12.569 8.479 -11.493 40 HD3 ARG 7 2HD ARG 7 13.496 9.625 -10.525 41 HE ARG 7 HE ARG 7 13.856 9.057 -13.277 42 HH11 ARG 7 1HH1 ARG 7 15.619 9.796 -10.367 43 HH12 ARG 7 2HH1 ARG 7 16.952 10.521 -11.203 44 HH21 ARG 7 1HH2 ARG 7 15.605 10.010 -14.389 45 HH22 ARG 7 2HH2 ARG 7 16.943 10.643 -13.490 46 H CYS 8 H CYS 8 13.704 4.670 -10.355 47 HA CYS 8 HA CYS 8 15.746 2.875 -9.902 48 HB2 CYS 8 1HB CYS 8 14.717 3.870 -12.568 49 HB3 CYS 8 2HB CYS 8 15.674 2.411 -12.334 50 H GLY 9 H GLY 9 17.870 3.113 -9.738 51 HA2 GLY 9 1HA GLY 9 20.021 3.761 -10.291 52 HA3 GLY 9 2HA GLY 9 19.360 4.675 -11.638 53 H SER 10 H SER 10 18.149 5.177 -8.422 54 HA SER 10 HA SER 10 19.545 7.773 -8.353 55 HB2 SER 10 1HB SER 10 17.053 7.873 -8.714 56 HB3 SER 10 2HB SER 10 16.855 7.159 -7.114 57 HG SER 10 HG SER 10 16.788 9.527 -7.245 58 H GLY 11 H GLY 11 18.837 4.843 -6.696 59 HA2 GLY 11 1HA GLY 11 20.592 5.670 -4.514 60 HA3 GLY 11 2HA GLY 11 18.964 5.175 -4.073 61 H GLY 12 H GLY 12 18.398 3.015 -4.138 62 HA2 GLY 12 1HA GLY 12 20.681 1.176 -4.436 63 HA3 GLY 12 2HA GLY 12 19.271 0.885 -3.429 64 H TRP 13 H TRP 13 17.904 2.133 -6.040 65 HA TRP 13 HA TRP 13 17.232 -0.477 -7.108 66 HB2 TRP 13 1HB TRP 13 16.187 2.159 -8.122 67 HB3 TRP 13 2HB TRP 13 15.417 0.577 -8.187 68 HD1 TRP 13 HD1 TRP 13 15.848 3.599 -5.948 69 HE1 TRP 13 HE1 TRP 13 14.352 3.333 -3.870 70 HE3 TRP 13 HE3 TRP 13 14.411 -1.264 -6.599 71 HZ2 TRP 13 HZ2 TRP 13 12.773 1.327 -2.666 72 HZ3 TRP 13 HZ3 TRP 13 12.907 -2.282 -4.939 73 HH2 TRP 13 HH2 TRP 13 12.107 -1.011 -3.013 74 H GLY 14 H GLY 14 17.831 -1.287 -9.046 75 HA2 GLY 14 1HA GLY 14 20.109 -0.315 -10.351 76 HA3 GLY 14 2HA GLY 14 19.008 -1.520 -11.001 77 HA PRO 15 HA PRO 15 18.850 2.289 -13.672 78 HB2 PRO 15 1HB PRO 15 19.217 0.967 -16.014 79 HB3 PRO 15 2HB PRO 15 20.557 1.546 -15.017 80 HG2 PRO 15 1HG PRO 15 19.388 -1.203 -15.206 81 HG3 PRO 15 2HG PRO 15 21.091 -0.714 -15.140 82 HD2 PRO 15 1HD PRO 15 19.758 -1.646 -12.975 83 HD3 PRO 15 2HD PRO 15 21.054 -0.438 -12.852 84 H CYS 16 H CYS 16 17.661 -0.912 -14.727 85 HA CYS 16 HA CYS 16 14.933 -0.270 -14.470 86 HB2 CYS 16 1HB CYS 16 16.224 0.582 -16.949 87 HB3 CYS 16 2HB CYS 16 14.855 -0.490 -17.228 88 H LEU 17 H LEU 17 13.922 -2.153 -14.265 89 HA LEU 17 HA LEU 17 14.952 -4.478 -15.749 90 HB2 LEU 17 1HB LEU 17 15.686 -4.759 -13.506 91 HB3 LEU 17 2HB LEU 17 14.107 -4.309 -12.867 92 HG LEU 17 HG LEU 17 13.495 -6.514 -14.353 93 HD11 LEU 17 1HD1 LEU 17 16.048 -7.240 -12.959 94 HD12 LEU 17 2HD1 LEU 17 16.023 -6.774 -14.659 95 HD13 LEU 17 3HD1 LEU 17 15.109 -8.182 -14.118 96 HD21 LEU 17 3HD2 LEU 17 14.081 -7.510 -11.829 97 HD22 LEU 17 1HD2 LEU 17 12.555 -6.801 -12.358 98 HD23 LEU 17 2HD2 LEU 17 13.767 -5.794 -11.565 99 HA PRO 18 HA PRO 18 10.798 -4.939 -17.145 100 HB2 PRO 18 1HB PRO 18 10.916 -7.538 -17.920 101 HB3 PRO 18 2HB PRO 18 11.673 -6.228 -18.834 102 HG2 PRO 18 1HG PRO 18 12.910 -8.151 -16.902 103 HG3 PRO 18 2HG PRO 18 13.523 -7.589 -18.468 104 HD2 PRO 18 1HD PRO 18 14.406 -6.586 -16.113 105 HD3 PRO 18 2HD PRO 18 14.308 -5.608 -17.591 106 H ILE 19 H ILE 19 9.018 -5.184 -15.962 107 HA ILE 19 HA ILE 19 8.908 -6.443 -13.479 108 HB ILE 19 HB ILE 19 6.553 -5.953 -15.304 109 HG12 ILE 19 1HG1 ILE 19 7.892 -4.091 -13.330 110 HG13 ILE 19 2HG1 ILE 19 7.902 -3.921 -15.081 111 HG21 ILE 19 1HG2 ILE 19 5.328 -6.731 -13.627 112 HG22 ILE 19 2HG2 ILE 19 6.786 -7.039 -12.685 113 HG23 ILE 19 3HG2 ILE 19 5.979 -5.474 -12.575 114 HD11 ILE 19 3HD1 ILE 19 6.043 -2.741 -14.973 115 HD12 ILE 19 1HD1 ILE 19 5.205 -4.109 -14.240 116 HD13 ILE 19 2HD1 ILE 19 6.023 -2.926 -13.219 117 H VAL 20 H VAL 20 8.689 -7.771 -16.634 118 HA VAL 20 HA VAL 20 7.105 -10.031 -16.204 119 HB VAL 20 HB VAL 20 7.988 -9.221 -18.422 120 HG11 VAL 20 1HG1 VAL 20 10.148 -9.436 -19.045 121 HG12 VAL 20 2HG1 VAL 20 10.431 -9.380 -17.304 122 HG13 VAL 20 3HG1 VAL 20 10.373 -10.932 -18.140 123 HG21 VAL 20 3HG2 VAL 20 8.624 -12.125 -18.149 124 HG22 VAL 20 1HG2 VAL 20 6.989 -11.559 -17.809 125 HG23 VAL 20 2HG2 VAL 20 7.703 -11.288 -19.398 126 H ASP 21 H ASP 21 10.294 -9.285 -15.127 127 HA ASP 21 HA ASP 21 10.646 -12.060 -14.200 128 HB2 ASP 21 1HB ASP 21 12.387 -10.543 -15.712 129 HB3 ASP 21 2HB ASP 21 13.018 -10.352 -14.078 130 H LEU 22 H LEU 22 9.719 -9.081 -13.179 131 HA LEU 22 HA LEU 22 11.049 -8.440 -10.888 132 HB2 LEU 22 1HB LEU 22 8.677 -7.704 -12.039 133 HB3 LEU 22 2HB LEU 22 8.148 -8.426 -10.521 134 HG LEU 22 HG LEU 22 9.929 -6.835 -9.468 135 HD11 LEU 22 1HD1 LEU 22 9.277 -4.909 -11.567 136 HD12 LEU 22 2HD1 LEU 22 10.369 -6.193 -12.085 137 HD13 LEU 22 3HD1 LEU 22 10.790 -5.182 -10.702 138 HD21 LEU 22 3HD2 LEU 22 7.319 -6.808 -9.447 139 HD22 LEU 22 1HD2 LEU 22 7.519 -5.428 -10.527 140 HD23 LEU 22 2HD2 LEU 22 8.224 -5.391 -8.911 141 H LEU 23 H LEU 23 10.602 -8.871 -8.620 142 HA LEU 23 HA LEU 23 9.411 -11.494 -8.078 143 HB2 LEU 23 1HB LEU 23 11.649 -12.114 -8.181 144 HB3 LEU 23 2HB LEU 23 12.199 -10.603 -7.459 145 HG LEU 23 HG LEU 23 10.573 -12.437 -5.776 146 HD11 LEU 23 1HD1 LEU 23 13.047 -13.331 -5.208 147 HD12 LEU 23 2HD1 LEU 23 13.189 -13.109 -6.951 148 HD13 LEU 23 3HD1 LEU 23 11.931 -14.157 -6.295 149 HD21 LEU 23 3HD2 LEU 23 11.144 -10.616 -4.540 150 HD22 LEU 23 1HD2 LEU 23 12.626 -10.321 -5.450 151 HD23 LEU 23 2HD2 LEU 23 12.575 -11.603 -4.240 152 H CYS 24 H CYS 24 9.961 -8.255 -7.219 153 HA CYS 24 HA CYS 24 8.905 -8.675 -4.509 154 HB2 CYS 24 1HB CYS 24 9.736 -5.956 -5.270 155 HB3 CYS 24 2HB CYS 24 10.103 -6.883 -3.819 156 H ILE 25 H ILE 25 7.469 -6.775 -3.764 157 HA ILE 25 HA ILE 25 5.526 -6.178 -5.899 158 HB ILE 25 HB ILE 25 4.868 -6.571 -2.981 159 HG12 ILE 25 1HG1 ILE 25 4.481 -8.485 -5.293 160 HG13 ILE 25 2HG1 ILE 25 5.662 -8.672 -4.001 161 HG21 ILE 25 1HG2 ILE 25 3.405 -5.110 -4.469 162 HG22 ILE 25 2HG2 ILE 25 2.984 -6.597 -5.318 163 HG23 ILE 25 3HG2 ILE 25 2.609 -6.424 -3.603 164 HD11 ILE 25 3HD1 ILE 25 2.758 -9.157 -4.005 165 HD12 ILE 25 1HD1 ILE 25 4.053 -9.993 -3.148 166 HD13 ILE 25 2HD1 ILE 25 3.436 -8.458 -2.535 167 H VAL 26 H VAL 26 7.068 -5.047 -2.938 168 HA VAL 26 HA VAL 26 5.872 -2.408 -3.209 169 HB VAL 26 HB VAL 26 6.237 -3.555 -0.972 170 HG11 VAL 26 1HG1 VAL 26 9.071 -2.598 -1.287 171 HG12 VAL 26 2HG1 VAL 26 8.382 -3.563 0.020 172 HG13 VAL 26 3HG1 VAL 26 8.588 -4.268 -1.584 173 HG21 VAL 26 3HG2 VAL 26 7.641 -1.015 -0.663 174 HG22 VAL 26 1HG2 VAL 26 6.205 -0.907 -1.681 175 HG23 VAL 26 2HG2 VAL 26 6.075 -1.528 -0.035 176 H HIS 27 H HIS 27 8.028 -3.718 -5.015 177 HA HIS 27 HA HIS 27 10.431 -2.326 -4.777 178 HB2 HIS 27 1HB HIS 27 10.910 -3.012 -6.987 179 HB3 HIS 27 2HB HIS 27 9.867 -4.272 -6.336 180 HD1 HIS 27 HD1 HIS 27 10.304 -3.252 -9.421 181 HD2 HIS 27 HD2 HIS 27 6.986 -2.738 -6.975 182 HE1 HIS 27 HE1 HIS 27 8.366 -2.896 -10.983 183 H VAL 28 H VAL 28 10.969 -0.919 -7.013 184 HA VAL 28 HA VAL 28 9.116 1.371 -6.870 185 HB VAL 28 HB VAL 28 12.119 1.318 -6.959 186 HG11 VAL 28 1HG1 VAL 28 11.590 2.823 -8.714 187 HG12 VAL 28 2HG1 VAL 28 10.290 3.564 -7.778 188 HG13 VAL 28 3HG1 VAL 28 11.972 3.809 -7.303 189 HG21 VAL 28 3HG2 VAL 28 10.186 2.879 -5.249 190 HG22 VAL 28 1HG2 VAL 28 10.955 1.364 -4.777 191 HG23 VAL 28 2HG2 VAL 28 11.937 2.801 -5.061 192 H THR 29 H THR 29 8.608 2.440 -8.753 193 HA THR 29 HA THR 29 9.757 1.409 -11.252 194 HB THR 29 HB THR 29 7.304 1.730 -12.158 195 HG1 THR 29 HG1 THR 29 6.944 1.221 -9.379 196 HG21 THR 29 3HG2 THR 29 8.686 -0.555 -10.927 197 HG22 THR 29 1HG2 THR 29 7.947 -0.402 -12.520 198 HG23 THR 29 2HG2 THR 29 6.944 -0.753 -11.112 199 H VAL 30 H VAL 30 10.436 3.809 -9.975 200 HA VAL 30 HA VAL 30 9.082 5.862 -11.588 201 HB VAL 30 HB VAL 30 10.907 6.262 -9.215 202 HG11 VAL 30 1HG1 VAL 30 9.424 8.517 -9.440 203 HG12 VAL 30 2HG1 VAL 30 11.034 8.314 -10.132 204 HG13 VAL 30 3HG1 VAL 30 9.604 8.067 -11.135 205 HG21 VAL 30 3HG2 VAL 30 8.443 7.096 -8.420 206 HG22 VAL 30 1HG2 VAL 30 8.035 5.700 -9.418 207 HG23 VAL 30 2HG2 VAL 30 9.135 5.516 -8.051 208 H GLY 31 H GLY 31 10.201 7.146 -12.999 209 HA2 GLY 31 1HA GLY 31 12.029 8.008 -14.149 210 HA3 GLY 31 2HA GLY 31 13.091 7.076 -13.104 211 H CYS 32 H CYS 32 10.993 4.831 -14.007 212 HA CYS 32 HA CYS 32 12.680 3.966 -16.239 213 HB2 CYS 32 1HB CYS 32 11.021 2.573 -14.197 214 HB3 CYS 32 2HB CYS 32 11.196 1.798 -15.768 215 H SER 33 H SER 33 11.269 2.377 -17.738 216 HA SER 33 HA SER 33 9.372 4.140 -19.031 217 HB2 SER 33 1HB SER 33 10.689 1.544 -19.773 218 HB3 SER 33 2HB SER 33 9.300 2.131 -20.689 219 HG SER 33 HG SER 33 10.446 3.893 -21.312 220 H GLY 34 H GLY 34 7.247 3.422 -19.720 221 HA2 GLY 34 1HA GLY 34 5.719 2.372 -17.600 222 HA3 GLY 34 2HA GLY 34 5.146 2.635 -19.240 223 H GLY 35 H GLY 35 6.434 0.334 -16.978 224 HA2 GLY 35 1HA GLY 35 5.351 -1.929 -17.417 225 HA3 GLY 35 2HA GLY 35 6.123 -1.801 -18.991 226 H PHE 36 H PHE 36 8.204 -0.354 -16.939 227 HA PHE 36 HA PHE 36 9.551 -2.862 -16.200 228 HB2 PHE 36 1HB PHE 36 10.920 -0.435 -17.379 229 HB3 PHE 36 2HB PHE 36 11.697 -1.939 -16.893 230 HD1 PHE 36 HD1 PHE 36 9.287 -0.478 -19.290 231 HD2 PHE 36 HD2 PHE 36 11.838 -3.757 -18.364 232 HE1 PHE 36 HE1 PHE 36 8.943 -1.380 -21.553 233 HE2 PHE 36 HE2 PHE 36 11.499 -4.664 -20.626 234 HZ PHE 36 HZ PHE 36 10.049 -3.476 -22.223 235 H GLY 37 H GLY 37 10.283 -2.929 -14.164 236 HA2 GLY 37 1HA GLY 37 10.404 -0.377 -12.676 237 HA3 GLY 37 2HA GLY 37 9.773 -1.860 -11.975 238 H CYS 38 H CYS 38 11.445 -1.187 -10.329 239 HA CYS 38 HA CYS 38 13.891 -2.679 -10.875 240 HB2 CYS 38 1HB CYS 38 15.125 -0.740 -9.618 241 HB3 CYS 38 2HB CYS 38 14.821 -0.611 -11.347 242 H CYS 39 H CYS 39 14.791 -3.639 -9.078 243 HA CYS 39 HA CYS 39 13.271 -3.324 -6.572 244 HB2 CYS 39 1HB CYS 39 14.145 -5.705 -8.068 245 HB3 CYS 39 2HB CYS 39 14.451 -5.775 -6.336 246 H ARG 40 H ARG 40 14.498 -3.832 -4.588 247 HA ARG 40 HA ARG 40 16.787 -2.272 -4.343 248 HB2 ARG 40 1HB ARG 40 15.923 -4.564 -2.570 249 HB3 ARG 40 2HB ARG 40 17.057 -3.294 -2.129 250 HG2 ARG 40 1HG ARG 40 14.252 -2.657 -2.966 251 HG3 ARG 40 2HG ARG 40 14.645 -3.104 -1.304 252 HD2 ARG 40 1HD ARG 40 16.107 -0.915 -2.749 253 HD3 ARG 40 2HD ARG 40 14.598 -0.614 -1.888 254 HE ARG 40 HE ARG 40 15.933 -1.709 0.058 255 HH11 ARG 40 1HH1 ARG 40 17.163 0.458 -2.373 256 HH12 ARG 40 2HH1 ARG 40 18.398 1.114 -1.350 257 HH21 ARG 40 1HH2 ARG 40 17.555 -0.854 1.415 258 HH22 ARG 40 2HH2 ARG 40 18.621 0.366 0.804 259 H ILE 41 H ILE 41 18.597 -2.635 -5.466 260 HA ILE 41 HA ILE 41 19.548 -5.353 -5.894 261 HB ILE 41 HB ILE 41 20.840 -2.790 -6.823 262 HG12 ILE 41 1HG1 ILE 41 18.564 -2.851 -7.676 263 HG13 ILE 41 2HG1 ILE 41 19.691 -3.206 -8.981 264 HG21 ILE 41 1HG2 ILE 41 21.528 -5.569 -7.011 265 HG22 ILE 41 2HG2 ILE 41 21.259 -4.901 -8.620 266 HG23 ILE 41 3HG2 ILE 41 22.438 -4.154 -7.541 267 HD11 ILE 41 3HD1 ILE 41 18.111 -4.798 -9.355 268 HD12 ILE 41 1HD1 ILE 41 19.194 -5.689 -8.285 269 HD13 ILE 41 2HD1 ILE 41 17.716 -4.969 -7.645 270 H GLY 42 H GLY 42 20.825 -2.308 -4.541 271 HA2 GLY 42 1HA GLY 42 22.012 -3.511 -2.303 272 HA3 GLY 42 2HA GLY 42 23.230 -3.392 -3.565 Start of MODEL 3 1 H1 ASP 1 1H ASP 1 0.528 1.346 2.339 2 HA ASP 1 HA ASP 1 1.695 0.220 0.278 3 HB2 ASP 1 1HB ASP 1 -0.872 0.601 0.794 4 HB3 ASP 1 2HB ASP 1 -0.726 1.789 -0.498 5 H ASP 2 H ASP 2 3.389 2.300 0.539 6 HA ASP 2 HA ASP 2 3.460 3.350 -2.161 7 HB2 ASP 2 1HB ASP 2 2.323 4.955 -0.246 8 HB3 ASP 2 2HB ASP 2 4.005 5.476 -0.209 9 H THR 3 H THR 3 5.510 5.131 -1.949 10 HA THR 3 HA THR 3 7.665 3.801 -0.487 11 HB THR 3 HB THR 3 8.933 4.340 -2.852 12 HG1 THR 3 HG1 THR 3 6.400 3.198 -3.495 13 HG21 THR 3 3HG2 THR 3 8.731 2.232 -1.253 14 HG22 THR 3 1HG2 THR 3 9.368 2.093 -2.891 15 HG23 THR 3 2HG2 THR 3 7.693 1.652 -2.555 16 HA PRO 4 HA PRO 4 9.212 7.853 0.186 17 HB2 PRO 4 1HB PRO 4 11.898 7.459 0.135 18 HB3 PRO 4 2HB PRO 4 10.870 6.901 1.460 19 HG2 PRO 4 1HG PRO 4 11.959 5.365 -0.867 20 HG3 PRO 4 2HG PRO 4 11.856 4.889 0.838 21 HD2 PRO 4 1HD PRO 4 10.084 4.035 -1.023 22 HD3 PRO 4 2HD PRO 4 9.632 4.309 0.672 23 H SER 5 H SER 5 11.280 9.250 -0.680 24 HA SER 5 HA SER 5 10.623 9.790 -3.425 25 HB2 SER 5 1HB SER 5 12.927 11.113 -2.049 26 HB3 SER 5 2HB SER 5 11.735 11.802 -3.152 27 HG SER 5 HG SER 5 10.909 12.510 -1.339 28 H SER 6 H SER 6 11.467 7.391 -3.739 29 HA SER 6 HA SER 6 14.316 7.512 -4.474 30 HB2 SER 6 1HB SER 6 12.531 5.234 -3.658 31 HB3 SER 6 2HB SER 6 14.000 4.934 -4.588 32 HG SER 6 HG SER 6 15.122 6.111 -2.902 33 H ARG 7 H ARG 7 14.966 6.521 -6.476 34 HA ARG 7 HA ARG 7 12.905 5.962 -8.442 35 HB2 ARG 7 1HB ARG 7 13.006 8.296 -8.787 36 HB3 ARG 7 2HB ARG 7 14.756 8.329 -8.611 37 HG2 ARG 7 1HG ARG 7 15.127 7.633 -10.750 38 HG3 ARG 7 2HG ARG 7 13.606 6.740 -10.840 39 HD2 ARG 7 1HD ARG 7 12.463 8.524 -11.590 40 HD3 ARG 7 2HD ARG 7 13.300 9.636 -10.508 41 HE ARG 7 HE ARG 7 13.968 9.044 -13.237 42 HH11 ARG 7 1HH1 ARG 7 15.191 10.154 -10.172 43 HH12 ARG 7 2HH1 ARG 7 16.516 11.026 -10.869 44 HH21 ARG 7 1HH2 ARG 7 15.709 10.188 -14.166 45 HH22 ARG 7 2HH2 ARG 7 16.809 11.045 -13.141 46 H CYS 8 H CYS 8 13.650 4.803 -10.233 47 HA CYS 8 HA CYS 8 15.697 3.004 -9.845 48 HB2 CYS 8 1HB CYS 8 14.500 4.022 -12.425 49 HB3 CYS 8 2HB CYS 8 15.605 2.654 -12.343 50 H GLY 9 H GLY 9 17.836 3.169 -9.807 51 HA2 GLY 9 1HA GLY 9 19.971 3.816 -10.415 52 HA3 GLY 9 2HA GLY 9 19.269 4.791 -11.698 53 H SER 10 H SER 10 18.128 5.227 -8.464 54 HA SER 10 HA SER 10 19.648 7.747 -8.298 55 HB2 SER 10 1HB SER 10 17.130 7.917 -8.706 56 HB3 SER 10 2HB SER 10 16.929 7.303 -7.065 57 HG SER 10 HG SER 10 17.792 9.780 -7.943 58 H GLY 11 H GLY 11 18.532 4.890 -6.655 59 HA2 GLY 11 1HA GLY 11 20.293 5.575 -4.400 60 HA3 GLY 11 2HA GLY 11 18.647 5.049 -4.078 61 H GLY 12 H GLY 12 18.185 2.909 -4.039 62 HA2 GLY 12 1HA GLY 12 20.468 1.098 -4.425 63 HA3 GLY 12 2HA GLY 12 19.051 0.764 -3.442 64 H TRP 13 H TRP 13 17.695 2.070 -6.028 65 HA TRP 13 HA TRP 13 17.072 -0.516 -7.182 66 HB2 TRP 13 1HB TRP 13 15.989 2.132 -8.123 67 HB3 TRP 13 2HB TRP 13 15.245 0.539 -8.238 68 HD1 TRP 13 HD1 TRP 13 15.617 3.502 -5.908 69 HE1 TRP 13 HE1 TRP 13 14.114 3.152 -3.848 70 HE3 TRP 13 HE3 TRP 13 14.258 -1.361 -6.711 71 HZ2 TRP 13 HZ2 TRP 13 12.558 1.088 -2.714 72 HZ3 TRP 13 HZ3 TRP 13 12.760 -2.449 -5.091 73 HH2 TRP 13 HH2 TRP 13 11.929 -1.249 -3.134 74 H GLY 14 H GLY 14 17.731 -1.264 -9.120 75 HA2 GLY 14 1HA GLY 14 19.987 -0.189 -10.384 76 HA3 GLY 14 2HA GLY 14 18.930 -1.415 -11.070 77 HA PRO 15 HA PRO 15 18.670 2.454 -13.650 78 HB2 PRO 15 1HB PRO 15 19.126 1.207 -16.018 79 HB3 PRO 15 2HB PRO 15 20.426 1.814 -14.986 80 HG2 PRO 15 1HG PRO 15 19.371 -0.974 -15.262 81 HG3 PRO 15 2HG PRO 15 21.052 -0.419 -15.157 82 HD2 PRO 15 1HD PRO 15 19.725 -1.459 -13.037 83 HD3 PRO 15 2HD PRO 15 20.969 -0.204 -12.863 84 H CYS 16 H CYS 16 17.629 -0.760 -14.815 85 HA CYS 16 HA CYS 16 14.870 -0.214 -14.593 86 HB2 CYS 16 1HB CYS 16 16.189 0.682 -17.044 87 HB3 CYS 16 2HB CYS 16 14.850 -0.420 -17.349 88 H LEU 17 H LEU 17 13.935 -2.134 -14.393 89 HA LEU 17 HA LEU 17 15.050 -4.412 -15.888 90 HB2 LEU 17 1HB LEU 17 15.793 -4.681 -13.646 91 HB3 LEU 17 2HB LEU 17 14.198 -4.292 -13.005 92 HG LEU 17 HG LEU 17 13.665 -6.509 -14.506 93 HD11 LEU 17 1HD1 LEU 17 16.122 -6.764 -14.904 94 HD12 LEU 17 2HD1 LEU 17 15.349 -8.150 -14.135 95 HD13 LEU 17 3HD1 LEU 17 16.313 -7.032 -13.171 96 HD21 LEU 17 3HD2 LEU 17 13.899 -5.794 -11.717 97 HD22 LEU 17 1HD2 LEU 17 14.299 -7.491 -11.982 98 HD23 LEU 17 2HD2 LEU 17 12.741 -6.859 -12.514 99 HA PRO 18 HA PRO 18 10.914 -5.009 -17.288 100 HB2 PRO 18 1HB PRO 18 11.124 -7.597 -18.082 101 HB3 PRO 18 2HB PRO 18 11.834 -6.254 -18.986 102 HG2 PRO 18 1HG PRO 18 13.138 -8.147 -17.068 103 HG3 PRO 18 2HG PRO 18 13.731 -7.552 -18.630 104 HD2 PRO 18 1HD PRO 18 14.578 -6.536 -16.267 105 HD3 PRO 18 2HD PRO 18 14.446 -5.550 -17.738 106 H ILE 19 H ILE 19 9.148 -5.319 -16.098 107 HA ILE 19 HA ILE 19 9.083 -6.604 -13.629 108 HB ILE 19 HB ILE 19 6.712 -6.174 -15.446 109 HG12 ILE 19 1HG1 ILE 19 8.004 -4.292 -13.460 110 HG13 ILE 19 2HG1 ILE 19 7.978 -4.097 -15.209 111 HG21 ILE 19 1HG2 ILE 19 6.223 -7.598 -13.548 112 HG22 ILE 19 2HG2 ILE 19 6.936 -6.417 -12.450 113 HG23 ILE 19 3HG2 ILE 19 5.461 -6.023 -13.332 114 HD11 ILE 19 3HD1 ILE 19 5.689 -3.889 -13.283 115 HD12 ILE 19 1HD1 ILE 19 6.335 -2.652 -14.361 116 HD13 ILE 19 2HD1 ILE 19 5.460 -4.032 -15.025 117 H VAL 20 H VAL 20 8.895 -7.909 -16.796 118 HA VAL 20 HA VAL 20 7.390 -10.224 -16.384 119 HB VAL 20 HB VAL 20 8.244 -9.366 -18.596 120 HG11 VAL 20 1HG1 VAL 20 10.674 -11.003 -18.381 121 HG12 VAL 20 2HG1 VAL 20 10.410 -9.459 -19.196 122 HG13 VAL 20 3HG1 VAL 20 10.699 -9.502 -17.456 123 HG21 VAL 20 3HG2 VAL 20 7.429 -11.331 -19.240 124 HG22 VAL 20 1HG2 VAL 20 9.031 -12.031 -19.008 125 HG23 VAL 20 2HG2 VAL 20 7.857 -12.061 -17.692 126 H ASP 21 H ASP 21 10.555 -9.384 -15.305 127 HA ASP 21 HA ASP 21 10.999 -12.154 -14.403 128 HB2 ASP 21 1HB ASP 21 12.688 -10.563 -15.902 129 HB3 ASP 21 2HB ASP 21 13.315 -10.375 -14.266 130 H LEU 22 H LEU 22 9.978 -9.216 -13.355 131 HA LEU 22 HA LEU 22 11.291 -8.553 -11.059 132 HB2 LEU 22 1HB LEU 22 8.896 -7.879 -12.202 133 HB3 LEU 22 2HB LEU 22 8.389 -8.634 -10.692 134 HG LEU 22 HG LEU 22 10.091 -7.006 -9.599 135 HD11 LEU 22 1HD1 LEU 22 9.485 -5.058 -11.678 136 HD12 LEU 22 2HD1 LEU 22 10.569 -6.339 -12.218 137 HD13 LEU 22 3HD1 LEU 22 10.990 -5.363 -10.810 138 HD21 LEU 22 3HD2 LEU 22 7.477 -7.017 -9.669 139 HD22 LEU 22 1HD2 LEU 22 7.700 -5.620 -10.723 140 HD23 LEU 22 2HD2 LEU 22 8.348 -5.598 -9.082 141 H LEU 23 H LEU 23 10.839 -9.011 -8.791 142 HA LEU 23 HA LEU 23 9.748 -11.683 -8.277 143 HB2 LEU 23 1HB LEU 23 12.012 -12.209 -8.370 144 HB3 LEU 23 2HB LEU 23 12.493 -10.686 -7.624 145 HG LEU 23 HG LEU 23 10.927 -12.607 -5.980 146 HD11 LEU 23 1HD1 LEU 23 12.400 -14.214 -6.716 147 HD12 LEU 23 2HD1 LEU 23 13.273 -13.544 -5.339 148 HD13 LEU 23 3HD1 LEU 23 13.704 -13.056 -6.978 149 HD21 LEU 23 3HD2 LEU 23 11.407 -10.774 -4.720 150 HD22 LEU 23 1HD2 LEU 23 12.888 -10.412 -5.606 151 HD23 LEU 23 2HD2 LEU 23 12.871 -11.708 -4.410 152 H CYS 24 H CYS 24 10.143 -8.432 -7.400 153 HA CYS 24 HA CYS 24 9.079 -8.915 -4.702 154 HB2 CYS 24 1HB CYS 24 9.825 -6.161 -5.402 155 HB3 CYS 24 2HB CYS 24 10.227 -7.110 -3.974 156 H ILE 25 H ILE 25 7.557 -7.104 -3.951 157 HA ILE 25 HA ILE 25 5.633 -6.530 -6.110 158 HB ILE 25 HB ILE 25 5.010 -7.074 -3.205 159 HG12 ILE 25 1HG1 ILE 25 4.454 -8.758 -5.657 160 HG13 ILE 25 2HG1 ILE 25 5.717 -9.084 -4.475 161 HG21 ILE 25 1HG2 ILE 25 3.031 -6.145 -3.571 162 HG22 ILE 25 2HG2 ILE 25 3.544 -5.703 -5.199 163 HG23 ILE 25 3HG2 ILE 25 2.745 -7.250 -4.915 164 HD11 ILE 25 3HD1 ILE 25 4.194 -10.406 -3.528 165 HD12 ILE 25 1HD1 ILE 25 3.511 -8.909 -2.893 166 HD13 ILE 25 2HD1 ILE 25 2.853 -9.624 -4.365 167 H VAL 26 H VAL 26 7.105 -5.383 -3.122 168 HA VAL 26 HA VAL 26 5.822 -2.783 -3.373 169 HB VAL 26 HB VAL 26 6.204 -3.944 -1.146 170 HG11 VAL 26 1HG1 VAL 26 8.623 -4.505 -1.816 171 HG12 VAL 26 2HG1 VAL 26 8.990 -2.851 -1.321 172 HG13 VAL 26 3HG1 VAL 26 8.314 -3.992 -0.158 173 HG21 VAL 26 3HG2 VAL 26 6.150 -1.934 -0.080 174 HG22 VAL 26 1HG2 VAL 26 7.512 -1.287 -0.996 175 HG23 VAL 26 2HG2 VAL 26 5.910 -1.363 -1.732 176 H HIS 27 H HIS 27 8.037 -3.997 -5.174 177 HA HIS 27 HA HIS 27 10.393 -2.539 -4.899 178 HB2 HIS 27 1HB HIS 27 10.900 -3.160 -7.124 179 HB3 HIS 27 2HB HIS 27 9.900 -4.468 -6.497 180 HD1 HIS 27 HD1 HIS 27 10.306 -3.366 -9.562 181 HD2 HIS 27 HD2 HIS 27 6.967 -3.032 -7.112 182 HE1 HIS 27 HE1 HIS 27 8.357 -3.051 -11.121 183 H VAL 28 H VAL 28 10.912 -1.065 -7.087 184 HA VAL 28 HA VAL 28 8.977 1.155 -6.938 185 HB VAL 28 HB VAL 28 11.981 1.214 -6.919 186 HG11 VAL 28 1HG1 VAL 28 11.463 2.730 -8.669 187 HG12 VAL 28 2HG1 VAL 28 10.106 3.411 -7.769 188 HG13 VAL 28 3HG1 VAL 28 11.760 3.703 -7.229 189 HG21 VAL 28 3HG2 VAL 28 11.684 2.634 -4.999 190 HG22 VAL 28 1HG2 VAL 28 9.941 2.695 -5.264 191 HG23 VAL 28 2HG2 VAL 28 10.708 1.180 -4.786 192 H THR 29 H THR 29 8.451 2.212 -8.810 193 HA THR 29 HA THR 29 9.718 1.280 -11.296 194 HB THR 29 HB THR 29 7.300 1.571 -12.276 195 HG1 THR 29 HG1 THR 29 6.446 2.243 -10.191 196 HG21 THR 29 3HG2 THR 29 7.957 -0.556 -12.623 197 HG22 THR 29 1HG2 THR 29 6.926 -0.919 -11.240 198 HG23 THR 29 2HG2 THR 29 8.662 -0.705 -11.013 199 H VAL 30 H VAL 30 10.357 3.652 -9.984 200 HA VAL 30 HA VAL 30 8.995 5.730 -11.557 201 HB VAL 30 HB VAL 30 10.866 6.163 -9.231 202 HG11 VAL 30 1HG1 VAL 30 9.180 8.286 -9.318 203 HG12 VAL 30 2HG1 VAL 30 10.766 8.240 -10.090 204 HG13 VAL 30 3HG1 VAL 30 9.316 7.890 -11.031 205 HG21 VAL 30 3HG2 VAL 30 8.928 4.845 -8.510 206 HG22 VAL 30 1HG2 VAL 30 8.891 6.476 -7.841 207 HG23 VAL 30 2HG2 VAL 30 7.850 6.057 -9.201 208 H GLY 31 H GLY 31 10.110 7.067 -12.926 209 HA2 GLY 31 1HA GLY 31 11.934 7.961 -14.059 210 HA3 GLY 31 2HA GLY 31 13.000 6.997 -13.047 211 H CYS 32 H CYS 32 10.911 4.772 -13.996 212 HA CYS 32 HA CYS 32 12.574 3.989 -16.278 213 HB2 CYS 32 1HB CYS 32 10.943 2.509 -14.265 214 HB3 CYS 32 2HB CYS 32 11.159 1.781 -15.854 215 H SER 33 H SER 33 11.167 2.433 -17.805 216 HA SER 33 HA SER 33 9.155 4.196 -18.946 217 HB2 SER 33 1HB SER 33 10.539 1.710 -19.956 218 HB3 SER 33 2HB SER 33 9.212 2.476 -20.830 219 HG SER 33 HG SER 33 10.445 4.248 -21.172 220 H GLY 34 H GLY 34 7.044 3.508 -19.517 221 HA2 GLY 34 1HA GLY 34 5.653 2.125 -17.539 222 HA3 GLY 34 2HA GLY 34 5.033 2.467 -19.147 223 H GLY 35 H GLY 35 6.303 0.081 -17.031 224 HA2 GLY 35 1HA GLY 35 5.422 -2.194 -17.706 225 HA3 GLY 35 2HA GLY 35 6.263 -1.899 -19.221 226 H PHE 36 H PHE 36 8.226 -0.485 -17.109 227 HA PHE 36 HA PHE 36 9.624 -2.960 -16.357 228 HB2 PHE 36 1HB PHE 36 10.961 -0.495 -17.489 229 HB3 PHE 36 2HB PHE 36 11.755 -1.993 -17.015 230 HD1 PHE 36 HD1 PHE 36 9.379 -0.518 -19.433 231 HD2 PHE 36 HD2 PHE 36 11.924 -3.800 -18.503 232 HE1 PHE 36 HE1 PHE 36 9.083 -1.389 -21.715 233 HE2 PHE 36 HE2 PHE 36 11.633 -4.677 -20.783 234 HZ PHE 36 HZ PHE 36 10.210 -3.472 -22.392 235 H GLY 37 H GLY 37 10.336 -3.016 -14.312 236 HA2 GLY 37 1HA GLY 37 10.356 -0.470 -12.809 237 HA3 GLY 37 2HA GLY 37 9.759 -1.974 -12.125 238 H CYS 38 H CYS 38 11.392 -1.236 -10.456 239 HA CYS 38 HA CYS 38 13.900 -2.637 -10.988 240 HB2 CYS 38 1HB CYS 38 13.923 0.054 -9.630 241 HB3 CYS 38 2HB CYS 38 15.295 -0.879 -10.219 242 H CYS 39 H CYS 39 14.794 -3.630 -9.209 243 HA CYS 39 HA CYS 39 13.216 -3.458 -6.725 244 HB2 CYS 39 1HB CYS 39 14.209 -5.750 -8.284 245 HB3 CYS 39 2HB CYS 39 14.494 -5.868 -6.550 246 H ARG 40 H ARG 40 14.425 -3.989 -4.734 247 HA ARG 40 HA ARG 40 16.661 -2.354 -4.410 248 HB2 ARG 40 1HB ARG 40 15.839 -4.695 -2.682 249 HB3 ARG 40 2HB ARG 40 16.889 -3.369 -2.201 250 HG2 ARG 40 1HG ARG 40 14.075 -2.889 -3.113 251 HG3 ARG 40 2HG ARG 40 14.455 -3.306 -1.440 252 HD2 ARG 40 1HD ARG 40 15.675 -0.992 -2.938 253 HD3 ARG 40 2HD ARG 40 14.278 -0.857 -1.871 254 HE ARG 40 HE ARG 40 15.674 -1.271 -0.026 255 HH11 ARG 40 1HH1 ARG 40 17.416 -1.225 -3.040 256 HH12 ARG 40 2HH1 ARG 40 18.968 -1.042 -2.291 257 HH21 ARG 40 1HH2 ARG 40 17.711 -1.029 0.972 258 HH22 ARG 40 2HH2 ARG 40 19.134 -0.931 -0.009 259 H ILE 41 H ILE 41 18.498 -2.664 -5.510 260 HA ILE 41 HA ILE 41 19.531 -5.353 -5.927 261 HB ILE 41 HB ILE 41 20.596 -2.690 -6.875 262 HG12 ILE 41 1HG1 ILE 41 19.024 -4.848 -8.300 263 HG13 ILE 41 2HG1 ILE 41 18.447 -3.236 -7.889 264 HG21 ILE 41 1HG2 ILE 41 22.364 -4.354 -6.661 265 HG22 ILE 41 2HG2 ILE 41 21.420 -5.493 -7.621 266 HG23 ILE 41 3HG2 ILE 41 22.026 -4.009 -8.357 267 HD11 ILE 41 3HD1 ILE 41 18.979 -3.208 -10.183 268 HD12 ILE 41 1HD1 ILE 41 20.274 -2.335 -9.364 269 HD13 ILE 41 2HD1 ILE 41 20.534 -3.993 -9.908 270 H GLY 42 H GLY 42 20.701 -2.275 -4.552 271 HA2 GLY 42 1HA GLY 42 22.934 -3.658 -3.295 272 HA3 GLY 42 2HA GLY 42 22.644 -1.925 -3.290 Start of MODEL 4 1 H1 ASP 1 1H ASP 1 1.352 -0.466 -2.214 2 HA ASP 1 HA ASP 1 3.554 0.574 -3.876 3 HB2 ASP 1 1HB ASP 1 0.579 1.057 -4.118 4 HB3 ASP 1 2HB ASP 1 1.795 1.978 -4.999 5 H ASP 2 H ASP 2 4.249 1.148 -1.565 6 HA ASP 2 HA ASP 2 3.437 3.913 -1.089 7 HB2 ASP 2 1HB ASP 2 3.529 3.353 1.438 8 HB3 ASP 2 2HB ASP 2 2.073 2.936 0.538 9 H THR 3 H THR 3 5.695 3.389 -2.348 10 HA THR 3 HA THR 3 7.887 3.117 -0.457 11 HB THR 3 HB THR 3 9.187 3.660 -2.716 12 HG1 THR 3 HG1 THR 3 7.264 4.063 -3.912 13 HG21 THR 3 3HG2 THR 3 8.643 1.071 -3.241 14 HG22 THR 3 1HG2 THR 3 8.053 1.179 -1.583 15 HG23 THR 3 2HG2 THR 3 9.727 1.596 -1.953 16 HA PRO 4 HA PRO 4 8.787 7.378 0.083 17 HB2 PRO 4 1HB PRO 4 11.501 7.401 0.051 18 HB3 PRO 4 2HB PRO 4 10.562 6.735 1.393 19 HG2 PRO 4 1HG PRO 4 11.891 5.310 -0.880 20 HG3 PRO 4 2HG PRO 4 11.850 4.880 0.840 21 HD2 PRO 4 1HD PRO 4 10.245 3.702 -0.995 22 HD3 PRO 4 2HD PRO 4 9.743 3.959 0.689 23 H SER 5 H SER 5 10.578 9.070 -0.823 24 HA SER 5 HA SER 5 9.896 9.373 -3.601 25 HB2 SER 5 1HB SER 5 11.205 11.506 -3.400 26 HB3 SER 5 2HB SER 5 9.901 11.352 -2.223 27 HG SER 5 HG SER 5 11.421 11.730 -0.823 28 H SER 6 H SER 6 11.114 7.223 -3.964 29 HA SER 6 HA SER 6 13.976 7.711 -4.410 30 HB2 SER 6 1HB SER 6 12.511 5.069 -4.561 31 HB3 SER 6 2HB SER 6 14.255 5.322 -4.509 32 HG SER 6 HG SER 6 14.157 5.543 -2.415 33 H ARG 7 H ARG 7 14.473 5.840 -6.374 34 HA ARG 7 HA ARG 7 12.781 5.933 -8.607 35 HB2 ARG 7 1HB ARG 7 13.217 8.313 -8.654 36 HB3 ARG 7 2HB ARG 7 14.951 8.035 -8.562 37 HG2 ARG 7 1HG ARG 7 14.867 6.932 -10.762 38 HG3 ARG 7 2HG ARG 7 13.144 7.301 -10.854 39 HD2 ARG 7 1HD ARG 7 14.334 9.728 -10.229 40 HD3 ARG 7 2HD ARG 7 15.436 8.991 -11.391 41 HE ARG 7 HE ARG 7 13.836 9.229 -13.027 42 HH11 ARG 7 1HH1 ARG 7 12.436 9.867 -9.904 43 HH12 ARG 7 2HH1 ARG 7 10.957 10.496 -10.550 44 HH21 ARG 7 1HH2 ARG 7 11.893 10.055 -13.890 45 HH22 ARG 7 2HH2 ARG 7 10.648 10.602 -12.818 46 H CYS 8 H CYS 8 13.660 4.869 -10.427 47 HA CYS 8 HA CYS 8 15.568 2.895 -9.849 48 HB2 CYS 8 1HB CYS 8 14.519 3.878 -12.510 49 HB3 CYS 8 2HB CYS 8 15.497 2.428 -12.305 50 H GLY 9 H GLY 9 17.689 3.107 -9.626 51 HA2 GLY 9 1HA GLY 9 19.869 3.647 -10.192 52 HA3 GLY 9 2HA GLY 9 19.254 4.522 -11.586 53 H SER 10 H SER 10 18.124 5.152 -8.342 54 HA SER 10 HA SER 10 19.550 7.731 -8.409 55 HB2 SER 10 1HB SER 10 16.749 7.058 -7.534 56 HB3 SER 10 2HB SER 10 17.564 8.508 -6.947 57 HG SER 10 HG SER 10 17.206 9.413 -8.802 58 H GLY 11 H GLY 11 19.046 4.830 -6.734 59 HA2 GLY 11 1HA GLY 11 20.781 5.724 -4.587 60 HA3 GLY 11 2HA GLY 11 19.161 5.264 -4.085 61 H GLY 12 H GLY 12 18.503 3.088 -4.266 62 HA2 GLY 12 1HA GLY 12 20.778 1.218 -4.479 63 HA3 GLY 12 2HA GLY 12 19.374 0.968 -3.452 64 H TRP 13 H TRP 13 17.997 2.181 -6.073 65 HA TRP 13 HA TRP 13 17.282 -0.441 -7.082 66 HB2 TRP 13 1HB TRP 13 16.255 2.183 -8.144 67 HB3 TRP 13 2HB TRP 13 15.463 0.610 -8.153 68 HD1 TRP 13 HD1 TRP 13 15.988 3.680 -5.994 69 HE1 TRP 13 HE1 TRP 13 14.515 3.496 -3.892 70 HE3 TRP 13 HE3 TRP 13 14.432 -1.162 -6.516 71 HZ2 TRP 13 HZ2 TRP 13 12.906 1.554 -2.622 72 HZ3 TRP 13 HZ3 TRP 13 12.928 -2.107 -4.814 73 HH2 TRP 13 HH2 TRP 13 12.182 -0.776 -2.908 74 H GLY 14 H GLY 14 17.836 -1.290 -9.019 75 HA2 GLY 14 1HA GLY 14 20.118 -0.388 -10.364 76 HA3 GLY 14 2HA GLY 14 18.979 -1.572 -10.988 77 HA PRO 15 HA PRO 15 18.887 2.219 -13.692 78 HB2 PRO 15 1HB PRO 15 19.217 0.871 -16.025 79 HB3 PRO 15 2HB PRO 15 20.573 1.433 -15.040 80 HG2 PRO 15 1HG PRO 15 19.352 -1.295 -15.200 81 HG3 PRO 15 2HG PRO 15 21.064 -0.837 -15.147 82 HD2 PRO 15 1HD PRO 15 19.725 -1.727 -12.968 83 HD3 PRO 15 2HD PRO 15 21.044 -0.543 -12.861 84 H CYS 16 H CYS 16 17.617 -0.977 -14.663 85 HA CYS 16 HA CYS 16 14.912 -0.304 -14.402 86 HB2 CYS 16 1HB CYS 16 16.174 0.603 -16.866 87 HB3 CYS 16 2HB CYS 16 14.826 -0.487 -17.175 88 H LEU 17 H LEU 17 13.893 -2.182 -14.202 89 HA LEU 17 HA LEU 17 14.884 -4.495 -15.731 90 HB2 LEU 17 1HB LEU 17 15.620 -4.808 -13.490 91 HB3 LEU 17 2HB LEU 17 14.043 -4.357 -12.846 92 HG LEU 17 HG LEU 17 13.416 -6.538 -14.361 93 HD11 LEU 17 1HD1 LEU 17 15.035 -8.257 -13.969 94 HD12 LEU 17 2HD1 LEU 17 16.061 -7.151 -13.056 95 HD13 LEU 17 3HD1 LEU 17 15.836 -6.917 -14.790 96 HD21 LEU 17 3HD2 LEU 17 14.029 -7.552 -11.836 97 HD22 LEU 17 1HD2 LEU 17 12.487 -6.887 -12.373 98 HD23 LEU 17 2HD2 LEU 17 13.665 -5.846 -11.574 99 HA PRO 18 HA PRO 18 10.721 -4.887 -17.122 100 HB2 PRO 18 1HB PRO 18 10.811 -7.473 -17.943 101 HB3 PRO 18 2HB PRO 18 11.578 -6.155 -18.836 102 HG2 PRO 18 1HG PRO 18 12.802 -8.124 -16.942 103 HG3 PRO 18 2HG PRO 18 13.415 -7.540 -18.500 104 HD2 PRO 18 1HD PRO 18 14.316 -6.587 -16.131 105 HD3 PRO 18 2HD PRO 18 14.223 -5.582 -17.591 106 H ILE 19 H ILE 19 8.944 -5.132 -15.934 107 HA ILE 19 HA ILE 19 8.833 -6.442 -13.476 108 HB ILE 19 HB ILE 19 6.479 -5.866 -15.276 109 HG12 ILE 19 1HG1 ILE 19 7.836 -4.087 -13.238 110 HG13 ILE 19 2HG1 ILE 19 7.876 -3.867 -14.984 111 HG21 ILE 19 1HG2 ILE 19 5.258 -6.704 -13.625 112 HG22 ILE 19 2HG2 ILE 19 6.709 -7.015 -12.674 113 HG23 ILE 19 3HG2 ILE 19 5.891 -5.458 -12.550 114 HD11 ILE 19 3HD1 ILE 19 5.938 -2.971 -13.086 115 HD12 ILE 19 1HD1 ILE 19 6.082 -2.594 -14.803 116 HD13 ILE 19 2HD1 ILE 19 5.169 -4.012 -14.284 117 H VAL 20 H VAL 20 8.582 -7.697 -16.655 118 HA VAL 20 HA VAL 20 6.960 -9.937 -16.278 119 HB VAL 20 HB VAL 20 7.868 -9.100 -18.475 120 HG11 VAL 20 1HG1 VAL 20 10.028 -9.316 -19.077 121 HG12 VAL 20 2HG1 VAL 20 10.305 -9.350 -17.335 122 HG13 VAL 20 3HG1 VAL 20 10.216 -10.859 -18.244 123 HG21 VAL 20 3HG2 VAL 20 6.864 -11.019 -19.024 124 HG22 VAL 20 1HG2 VAL 20 8.480 -11.726 -19.043 125 HG23 VAL 20 2HG2 VAL 20 7.481 -11.847 -17.594 126 H ASP 21 H ASP 21 10.161 -9.275 -15.177 127 HA ASP 21 HA ASP 21 10.452 -12.073 -14.300 128 HB2 ASP 21 1HB ASP 21 12.220 -11.231 -15.857 129 HB3 ASP 21 2HB ASP 21 12.652 -10.026 -14.646 130 H LEU 22 H LEU 22 9.588 -9.093 -13.228 131 HA LEU 22 HA LEU 22 10.925 -8.525 -10.921 132 HB2 LEU 22 1HB LEU 22 8.572 -7.714 -12.066 133 HB3 LEU 22 2HB LEU 22 8.025 -8.446 -10.559 134 HG LEU 22 HG LEU 22 9.803 -6.920 -9.453 135 HD11 LEU 22 1HD1 LEU 22 9.346 -4.929 -11.524 136 HD12 LEU 22 2HD1 LEU 22 10.339 -6.279 -12.073 137 HD13 LEU 22 3HD1 LEU 22 10.824 -5.346 -10.657 138 HD21 LEU 22 3HD2 LEU 22 7.199 -6.769 -9.539 139 HD22 LEU 22 1HD2 LEU 22 7.508 -5.399 -10.607 140 HD23 LEU 22 2HD2 LEU 22 8.147 -5.396 -8.963 141 H LEU 23 H LEU 23 10.518 -9.010 -8.674 142 HA LEU 23 HA LEU 23 9.218 -11.588 -8.167 143 HB2 LEU 23 1HB LEU 23 11.413 -12.320 -8.321 144 HB3 LEU 23 2HB LEU 23 12.058 -10.845 -7.605 145 HG LEU 23 HG LEU 23 10.394 -12.621 -5.895 146 HD11 LEU 23 1HD1 LEU 23 11.915 -14.153 -7.086 147 HD12 LEU 23 2HD1 LEU 23 12.272 -14.038 -5.363 148 HD13 LEU 23 3HD1 LEU 23 13.284 -13.190 -6.532 149 HD21 LEU 23 3HD2 LEU 23 11.062 -10.831 -4.660 150 HD22 LEU 23 1HD2 LEU 23 12.535 -10.589 -5.599 151 HD23 LEU 23 2HD2 LEU 23 12.458 -11.878 -4.397 152 H CYS 24 H CYS 24 9.938 -8.399 -7.246 153 HA CYS 24 HA CYS 24 8.970 -8.826 -4.508 154 HB2 CYS 24 1HB CYS 24 9.802 -6.115 -5.340 155 HB3 CYS 24 2HB CYS 24 10.170 -7.006 -3.867 156 H ILE 25 H ILE 25 7.653 -6.793 -3.723 157 HA ILE 25 HA ILE 25 5.595 -6.206 -5.749 158 HB ILE 25 HB ILE 25 5.060 -6.659 -2.813 159 HG12 ILE 25 1HG1 ILE 25 4.484 -8.495 -5.148 160 HG13 ILE 25 2HG1 ILE 25 5.772 -8.736 -3.973 161 HG21 ILE 25 1HG2 ILE 25 2.971 -5.970 -3.185 162 HG22 ILE 25 2HG2 ILE 25 3.584 -5.291 -4.693 163 HG23 ILE 25 3HG2 ILE 25 2.847 -6.893 -4.683 164 HD11 ILE 25 3HD1 ILE 25 3.930 -10.145 -3.408 165 HD12 ILE 25 1HD1 ILE 25 4.048 -8.867 -2.199 166 HD13 ILE 25 2HD1 ILE 25 2.812 -8.782 -3.454 167 H VAL 26 H VAL 26 7.296 -5.137 -2.858 168 HA VAL 26 HA VAL 26 6.102 -2.487 -3.014 169 HB VAL 26 HB VAL 26 6.580 -3.677 -0.820 170 HG11 VAL 26 1HG1 VAL 26 9.375 -2.666 -1.059 171 HG12 VAL 26 2HG1 VAL 26 8.717 -3.923 -0.009 172 HG13 VAL 26 3HG1 VAL 26 8.971 -4.248 -1.725 173 HG21 VAL 26 3HG2 VAL 26 8.002 -1.081 -0.726 174 HG22 VAL 26 1HG2 VAL 26 6.367 -1.077 -1.386 175 HG23 VAL 26 2HG2 VAL 26 6.657 -1.674 0.248 176 H HIS 27 H HIS 27 8.151 -3.779 -4.955 177 HA HIS 27 HA HIS 27 10.571 -2.404 -4.823 178 HB2 HIS 27 1HB HIS 27 10.927 -3.054 -7.067 179 HB3 HIS 27 2HB HIS 27 9.916 -4.321 -6.380 180 HD1 HIS 27 HD1 HIS 27 10.194 -3.221 -9.467 181 HD2 HIS 27 HD2 HIS 27 7.005 -2.802 -6.838 182 HE1 HIS 27 HE1 HIS 27 8.174 -2.843 -10.916 183 H VAL 28 H VAL 28 10.999 -0.962 -7.059 184 HA VAL 28 HA VAL 28 9.153 1.324 -6.805 185 HB VAL 28 HB VAL 28 12.150 1.271 -6.929 186 HG11 VAL 28 1HG1 VAL 28 10.339 3.517 -7.787 187 HG12 VAL 28 2HG1 VAL 28 12.023 3.758 -7.314 188 HG13 VAL 28 3HG1 VAL 28 11.632 2.752 -8.709 189 HG21 VAL 28 3HG2 VAL 28 10.205 2.843 -5.240 190 HG22 VAL 28 1HG2 VAL 28 11.022 1.360 -4.745 191 HG23 VAL 28 2HG2 VAL 28 11.960 2.819 -5.067 192 H THR 29 H THR 29 8.569 2.406 -8.651 193 HA THR 29 HA THR 29 9.660 1.433 -11.201 194 HB THR 29 HB THR 29 7.179 1.775 -12.026 195 HG1 THR 29 HG1 THR 29 5.977 2.212 -10.316 196 HG21 THR 29 3HG2 THR 29 7.835 -0.342 -12.464 197 HG22 THR 29 1HG2 THR 29 6.850 -0.734 -11.056 198 HG23 THR 29 2HG2 THR 29 8.595 -0.543 -10.885 199 H VAL 30 H VAL 30 10.433 3.789 -9.969 200 HA VAL 30 HA VAL 30 9.026 5.871 -11.505 201 HB VAL 30 HB VAL 30 10.925 6.357 -9.216 202 HG11 VAL 30 1HG1 VAL 30 10.311 8.163 -10.925 203 HG12 VAL 30 2HG1 VAL 30 8.709 8.134 -10.184 204 HG13 VAL 30 3HG1 VAL 30 10.123 8.553 -9.216 205 HG21 VAL 30 3HG2 VAL 30 9.381 5.474 -7.863 206 HG22 VAL 30 1HG2 VAL 30 8.389 6.876 -8.267 207 HG23 VAL 30 2HG2 VAL 30 8.189 5.367 -9.159 208 H GLY 31 H GLY 31 10.117 7.130 -12.943 209 HA2 GLY 31 1HA GLY 31 11.930 8.017 -14.101 210 HA3 GLY 31 2HA GLY 31 13.009 7.112 -13.050 211 H CYS 32 H CYS 32 10.940 4.830 -13.937 212 HA CYS 32 HA CYS 32 12.651 3.956 -16.144 213 HB2 CYS 32 1HB CYS 32 10.977 2.583 -14.107 214 HB3 CYS 32 2HB CYS 32 11.132 1.799 -15.675 215 H SER 33 H SER 33 11.257 2.352 -17.651 216 HA SER 33 HA SER 33 9.393 4.112 -18.995 217 HB2 SER 33 1HB SER 33 9.708 1.396 -20.072 218 HB3 SER 33 2HB SER 33 9.915 2.957 -20.868 219 HG SER 33 HG SER 33 11.893 1.850 -20.723 220 H GLY 34 H GLY 34 7.280 3.379 -19.729 221 HA2 GLY 34 1HA GLY 34 5.705 2.375 -17.617 222 HA3 GLY 34 2HA GLY 34 5.164 2.617 -19.272 223 H GLY 35 H GLY 35 6.408 0.344 -16.954 224 HA2 GLY 35 1HA GLY 35 5.332 -1.922 -17.357 225 HA3 GLY 35 2HA GLY 35 6.093 -1.819 -18.938 226 H PHE 36 H PHE 36 8.170 -0.351 -16.876 227 HA PHE 36 HA PHE 36 9.531 -2.855 -16.149 228 HB2 PHE 36 1HB PHE 36 10.902 -0.412 -17.290 229 HB3 PHE 36 2HB PHE 36 11.670 -1.931 -16.838 230 HD1 PHE 36 HD1 PHE 36 9.285 -0.390 -19.207 231 HD2 PHE 36 HD2 PHE 36 11.781 -3.728 -18.343 232 HE1 PHE 36 HE1 PHE 36 8.934 -1.238 -21.489 233 HE2 PHE 36 HE2 PHE 36 11.435 -4.581 -20.625 234 HZ PHE 36 HZ PHE 36 10.011 -3.336 -22.201 235 H GLY 37 H GLY 37 10.250 -2.932 -14.109 236 HA2 GLY 37 1HA GLY 37 10.350 -0.389 -12.604 237 HA3 GLY 37 2HA GLY 37 9.728 -1.882 -11.915 238 H CYS 38 H CYS 38 11.388 -1.208 -10.259 239 HA CYS 38 HA CYS 38 13.821 -2.716 -10.769 240 HB2 CYS 38 1HB CYS 38 15.132 -0.776 -9.652 241 HB3 CYS 38 2HB CYS 38 14.730 -0.650 -11.362 242 H CYS 39 H CYS 39 14.713 -3.618 -8.941 243 HA CYS 39 HA CYS 39 13.236 -3.150 -6.434 244 HB2 CYS 39 1HB CYS 39 13.240 -5.474 -7.801 245 HB3 CYS 39 2HB CYS 39 14.670 -5.719 -6.804 246 H ARG 40 H ARG 40 14.517 -3.776 -4.455 247 HA ARG 40 HA ARG 40 16.854 -2.236 -4.305 248 HB2 ARG 40 1HB ARG 40 15.945 -4.424 -2.425 249 HB3 ARG 40 2HB ARG 40 17.114 -3.163 -2.055 250 HG2 ARG 40 1HG ARG 40 14.320 -2.484 -2.888 251 HG3 ARG 40 2HG ARG 40 14.709 -2.889 -1.215 252 HD2 ARG 40 1HD ARG 40 16.213 -0.785 -2.742 253 HD3 ARG 40 2HD ARG 40 14.729 -0.420 -1.864 254 HE ARG 40 HE ARG 40 16.068 -1.495 0.089 255 HH11 ARG 40 1HH1 ARG 40 17.317 0.564 -2.425 256 HH12 ARG 40 2HH1 ARG 40 18.588 1.213 -1.443 257 HH21 ARG 40 1HH2 ARG 40 17.738 -0.648 1.393 258 HH22 ARG 40 2HH2 ARG 40 18.827 0.522 0.728 259 H ILE 41 H ILE 41 18.805 -2.660 -5.074 260 HA ILE 41 HA ILE 41 19.616 -5.470 -5.406 261 HB ILE 41 HB ILE 41 20.653 -3.010 -6.819 262 HG12 ILE 41 1HG1 ILE 41 19.298 -5.299 -8.183 263 HG13 ILE 41 2HG1 ILE 41 18.307 -4.113 -7.341 264 HG21 ILE 41 1HG2 ILE 41 21.394 -5.916 -7.122 265 HG22 ILE 41 2HG2 ILE 41 21.895 -4.630 -8.219 266 HG23 ILE 41 3HG2 ILE 41 22.430 -4.613 -6.538 267 HD11 ILE 41 3HD1 ILE 41 19.886 -3.855 -9.820 268 HD12 ILE 41 1HD1 ILE 41 18.332 -3.148 -9.380 269 HD13 ILE 41 2HD1 ILE 41 19.827 -2.450 -8.757 270 H GLY 42 H GLY 42 20.961 -2.267 -4.594 271 HA2 GLY 42 1HA GLY 42 22.574 -3.506 -2.507 272 HA3 GLY 42 2HA GLY 42 23.462 -2.732 -3.811 Start of MODEL 5 1 H1 ASP 1 1H ASP 1 0.669 1.413 2.979 2 HA ASP 1 HA ASP 1 2.063 -0.072 0.897 3 HB2 ASP 1 1HB ASP 1 -0.759 0.924 1.221 4 HB3 ASP 1 2HB ASP 1 -0.171 0.333 -0.331 5 H ASP 2 H ASP 2 3.644 1.833 0.915 6 HA ASP 2 HA ASP 2 3.315 3.294 -1.466 7 HB2 ASP 2 1HB ASP 2 1.875 4.493 0.480 8 HB3 ASP 2 2HB ASP 2 3.436 5.267 0.739 9 H THR 3 H THR 3 5.312 3.442 -2.218 10 HA THR 3 HA THR 3 7.581 3.142 -0.477 11 HB THR 3 HB THR 3 8.635 3.794 -2.931 12 HG1 THR 3 HG1 THR 3 7.298 3.085 -4.491 13 HG21 THR 3 3HG2 THR 3 7.714 0.999 -2.370 14 HG22 THR 3 1HG2 THR 3 8.922 1.762 -1.336 15 HG23 THR 3 2HG2 THR 3 9.240 1.554 -3.059 16 HA PRO 4 HA PRO 4 8.778 7.325 0.095 17 HB2 PRO 4 1HB PRO 4 11.482 7.183 -0.110 18 HB3 PRO 4 2HB PRO 4 10.588 6.543 1.274 19 HG2 PRO 4 1HG PRO 4 11.681 5.097 -1.108 20 HG3 PRO 4 2HG PRO 4 11.721 4.627 0.602 21 HD2 PRO 4 1HD PRO 4 9.933 3.596 -1.151 22 HD3 PRO 4 2HD PRO 4 9.555 3.840 0.566 23 H SER 5 H SER 5 10.512 8.979 -0.879 24 HA SER 5 HA SER 5 9.745 9.304 -3.638 25 HB2 SER 5 1HB SER 5 10.052 11.125 -1.762 26 HB3 SER 5 2HB SER 5 11.735 11.090 -2.286 27 HG SER 5 HG SER 5 9.455 11.640 -3.883 28 H SER 6 H SER 6 11.037 7.112 -3.889 29 HA SER 6 HA SER 6 13.869 7.622 -4.400 30 HB2 SER 6 1HB SER 6 12.357 5.013 -4.648 31 HB3 SER 6 2HB SER 6 14.107 5.227 -4.620 32 HG SER 6 HG SER 6 13.705 4.759 -2.566 33 H ARG 7 H ARG 7 14.364 5.838 -6.437 34 HA ARG 7 HA ARG 7 12.693 6.019 -8.675 35 HB2 ARG 7 1HB ARG 7 13.071 8.389 -8.664 36 HB3 ARG 7 2HB ARG 7 14.806 8.166 -8.484 37 HG2 ARG 7 1HG ARG 7 15.114 7.933 -10.679 38 HG3 ARG 7 2HG ARG 7 13.725 6.857 -10.850 39 HD2 ARG 7 1HD ARG 7 12.328 8.538 -11.413 40 HD3 ARG 7 2HD ARG 7 13.088 9.679 -10.303 41 HE ARG 7 HE ARG 7 13.695 9.301 -13.085 42 HH11 ARG 7 1HH1 ARG 7 14.924 10.384 -10.013 43 HH12 ARG 7 2HH1 ARG 7 16.116 11.430 -10.711 44 HH21 ARG 7 1HH2 ARG 7 15.260 10.675 -14.016 45 HH22 ARG 7 2HH2 ARG 7 16.305 11.596 -12.988 46 H CYS 8 H CYS 8 13.472 4.816 -10.369 47 HA CYS 8 HA CYS 8 15.418 2.916 -9.921 48 HB2 CYS 8 1HB CYS 8 14.254 4.019 -12.469 49 HB3 CYS 8 2HB CYS 8 15.453 2.730 -12.491 50 H GLY 9 H GLY 9 17.557 2.991 -9.785 51 HA2 GLY 9 1HA GLY 9 19.743 3.587 -10.206 52 HA3 GLY 9 2HA GLY 9 19.170 4.495 -11.597 53 H SER 10 H SER 10 18.012 5.037 -8.336 54 HA SER 10 HA SER 10 19.400 7.638 -8.350 55 HB2 SER 10 1HB SER 10 16.839 7.614 -8.597 56 HB3 SER 10 2HB SER 10 16.806 7.114 -6.906 57 HG SER 10 HG SER 10 17.485 9.561 -8.029 58 H GLY 11 H GLY 11 18.998 4.682 -6.757 59 HA2 GLY 11 1HA GLY 11 20.773 5.516 -4.636 60 HA3 GLY 11 2HA GLY 11 19.157 5.094 -4.088 61 H GLY 12 H GLY 12 18.420 2.933 -4.325 62 HA2 GLY 12 1HA GLY 12 20.647 1.010 -4.539 63 HA3 GLY 12 2HA GLY 12 19.205 0.771 -3.563 64 H TRP 13 H TRP 13 17.931 2.075 -6.186 65 HA TRP 13 HA TRP 13 17.205 -0.507 -7.292 66 HB2 TRP 13 1HB TRP 13 16.231 2.161 -8.292 67 HB3 TRP 13 2HB TRP 13 15.423 0.598 -8.368 68 HD1 TRP 13 HD1 TRP 13 15.868 3.619 -6.145 69 HE1 TRP 13 HE1 TRP 13 14.369 3.375 -4.067 70 HE3 TRP 13 HE3 TRP 13 14.424 -1.248 -6.752 71 HZ2 TRP 13 HZ2 TRP 13 12.785 1.383 -2.846 72 HZ3 TRP 13 HZ3 TRP 13 12.916 -2.247 -5.084 73 HH2 TRP 13 HH2 TRP 13 12.115 -0.958 -3.172 74 H GLY 14 H GLY 14 17.834 -1.313 -9.216 75 HA2 GLY 14 1HA GLY 14 20.136 -0.342 -10.491 76 HA3 GLY 14 2HA GLY 14 19.046 -1.553 -11.150 77 HA PRO 15 HA PRO 15 18.909 2.249 -13.833 78 HB2 PRO 15 1HB PRO 15 19.314 0.922 -16.166 79 HB3 PRO 15 2HB PRO 15 20.638 1.510 -15.153 80 HG2 PRO 15 1HG PRO 15 19.484 -1.245 -15.351 81 HG3 PRO 15 2HG PRO 15 21.184 -0.747 -15.263 82 HD2 PRO 15 1HD PRO 15 19.825 -1.680 -13.114 83 HD3 PRO 15 2HD PRO 15 21.114 -0.466 -12.976 84 H CYS 16 H CYS 16 17.742 -0.964 -14.875 85 HA CYS 16 HA CYS 16 15.010 -0.321 -14.670 86 HB2 CYS 16 1HB CYS 16 16.338 0.504 -17.134 87 HB3 CYS 16 2HB CYS 16 14.986 -0.584 -17.429 88 H LEU 17 H LEU 17 14.015 -2.206 -14.428 89 HA LEU 17 HA LEU 17 15.052 -4.548 -15.880 90 HB2 LEU 17 1HB LEU 17 15.787 -4.809 -13.639 91 HB3 LEU 17 2HB LEU 17 14.215 -4.333 -12.999 92 HG LEU 17 HG LEU 17 13.584 -6.561 -14.453 93 HD11 LEU 17 1HD1 LEU 17 16.101 -6.859 -14.750 94 HD12 LEU 17 2HD1 LEU 17 15.183 -8.242 -14.154 95 HD13 LEU 17 3HD1 LEU 17 16.132 -7.265 -13.034 96 HD21 LEU 17 3HD2 LEU 17 13.273 -5.722 -11.928 97 HD22 LEU 17 1HD2 LEU 17 14.443 -7.015 -11.663 98 HD23 LEU 17 2HD2 LEU 17 12.905 -7.366 -12.451 99 HA PRO 18 HA PRO 18 10.901 -5.041 -17.272 100 HB2 PRO 18 1HB PRO 18 11.025 -7.652 -18.006 101 HB3 PRO 18 2HB PRO 18 11.781 -6.355 -18.939 102 HG2 PRO 18 1HG PRO 18 13.019 -8.245 -16.976 103 HG3 PRO 18 2HG PRO 18 13.633 -7.706 -18.550 104 HD2 PRO 18 1HD PRO 18 14.511 -6.665 -16.210 105 HD3 PRO 18 2HD PRO 18 14.414 -5.710 -17.703 106 H ILE 19 H ILE 19 9.118 -5.275 -16.091 107 HA ILE 19 HA ILE 19 9.007 -6.493 -13.588 108 HB ILE 19 HB ILE 19 6.659 -6.032 -15.429 109 HG12 ILE 19 1HG1 ILE 19 7.986 -4.152 -13.465 110 HG13 ILE 19 2HG1 ILE 19 7.993 -3.992 -15.218 111 HG21 ILE 19 1HG2 ILE 19 6.856 -6.230 -12.427 112 HG22 ILE 19 2HG2 ILE 19 5.402 -5.797 -13.324 113 HG23 ILE 19 3HG2 ILE 19 6.108 -7.402 -13.511 114 HD11 ILE 19 3HD1 ILE 19 5.713 -3.628 -13.313 115 HD12 ILE 19 1HD1 ILE 19 6.375 -2.486 -14.482 116 HD13 ILE 19 2HD1 ILE 19 5.454 -3.884 -15.039 117 H VAL 20 H VAL 20 8.797 -7.873 -16.721 118 HA VAL 20 HA VAL 20 7.221 -10.132 -16.255 119 HB VAL 20 HB VAL 20 8.098 -9.355 -18.486 120 HG11 VAL 20 1HG1 VAL 20 10.260 -9.535 -19.089 121 HG12 VAL 20 2HG1 VAL 20 10.547 -9.515 -17.348 122 HG13 VAL 20 3HG1 VAL 20 10.486 -11.050 -18.215 123 HG21 VAL 20 3HG2 VAL 20 6.965 -11.513 -18.170 124 HG22 VAL 20 1HG2 VAL 20 8.200 -11.593 -19.426 125 HG23 VAL 20 2HG2 VAL 20 8.521 -12.270 -17.830 126 H ASP 21 H ASP 21 10.413 -9.359 -15.201 127 HA ASP 21 HA ASP 21 10.775 -12.117 -14.229 128 HB2 ASP 21 1HB ASP 21 12.633 -10.158 -15.397 129 HB3 ASP 21 2HB ASP 21 13.236 -10.955 -13.946 130 H LEU 22 H LEU 22 9.833 -9.129 -13.251 131 HA LEU 22 HA LEU 22 11.160 -8.446 -10.971 132 HB2 LEU 22 1HB LEU 22 8.786 -7.737 -12.131 133 HB3 LEU 22 2HB LEU 22 8.256 -8.448 -10.608 134 HG LEU 22 HG LEU 22 10.032 -6.834 -9.570 135 HD11 LEU 22 1HD1 LEU 22 9.341 -4.946 -11.698 136 HD12 LEU 22 2HD1 LEU 22 10.471 -6.210 -12.182 137 HD13 LEU 22 3HD1 LEU 22 10.852 -5.163 -10.815 138 HD21 LEU 22 3HD2 LEU 22 7.430 -6.835 -9.515 139 HD22 LEU 22 1HD2 LEU 22 7.590 -5.480 -10.633 140 HD23 LEU 22 2HD2 LEU 22 8.316 -5.389 -9.028 141 H LEU 23 H LEU 23 10.700 -8.840 -8.693 142 HA LEU 23 HA LEU 23 9.542 -11.471 -8.117 143 HB2 LEU 23 1HB LEU 23 11.793 -12.053 -8.196 144 HB3 LEU 23 2HB LEU 23 12.310 -10.526 -7.484 145 HG LEU 23 HG LEU 23 10.698 -12.372 -5.800 146 HD11 LEU 23 1HD1 LEU 23 13.400 -13.023 -5.370 147 HD12 LEU 23 2HD1 LEU 23 13.108 -13.192 -7.100 148 HD13 LEU 23 3HD1 LEU 23 12.107 -14.074 -5.948 149 HD21 LEU 23 3HD2 LEU 23 11.220 -10.527 -4.577 150 HD22 LEU 23 1HD2 LEU 23 12.706 -10.213 -5.473 151 HD23 LEU 23 2HD2 LEU 23 12.666 -11.484 -4.250 152 H CYS 24 H CYS 24 10.009 -8.210 -7.321 153 HA CYS 24 HA CYS 24 8.929 -8.605 -4.614 154 HB2 CYS 24 1HB CYS 24 9.751 -5.887 -5.354 155 HB3 CYS 24 2HB CYS 24 10.138 -6.830 -3.919 156 H ILE 25 H ILE 25 7.465 -6.721 -3.911 157 HA ILE 25 HA ILE 25 5.566 -6.140 -6.089 158 HB ILE 25 HB ILE 25 4.915 -6.604 -3.177 159 HG12 ILE 25 1HG1 ILE 25 4.319 -8.319 -5.598 160 HG13 ILE 25 2HG1 ILE 25 5.562 -8.662 -4.399 161 HG21 ILE 25 1HG2 ILE 25 3.118 -6.099 -5.545 162 HG22 ILE 25 2HG2 ILE 25 2.577 -6.510 -3.918 163 HG23 ILE 25 3HG2 ILE 25 3.421 -4.989 -4.208 164 HD11 ILE 25 3HD1 ILE 25 3.346 -8.379 -2.843 165 HD12 ILE 25 1HD1 ILE 25 2.683 -9.111 -4.304 166 HD13 ILE 25 2HD1 ILE 25 3.992 -9.910 -3.432 167 H VAL 26 H VAL 26 7.052 -4.976 -3.113 168 HA VAL 26 HA VAL 26 5.855 -2.343 -3.432 169 HB VAL 26 HB VAL 26 6.178 -3.467 -1.177 170 HG11 VAL 26 1HG1 VAL 26 8.935 -2.415 -1.074 171 HG12 VAL 26 2HG1 VAL 26 8.224 -3.821 -0.279 172 HG13 VAL 26 3HG1 VAL 26 8.703 -3.913 -1.974 173 HG21 VAL 26 3HG2 VAL 26 7.567 -0.935 -0.829 174 HG22 VAL 26 1HG2 VAL 26 6.190 -0.815 -1.925 175 HG23 VAL 26 2HG2 VAL 26 5.963 -1.429 -0.288 176 H HIS 27 H HIS 27 8.051 -3.668 -5.180 177 HA HIS 27 HA HIS 27 10.446 -2.272 -4.911 178 HB2 HIS 27 1HB HIS 27 10.960 -2.963 -7.116 179 HB3 HIS 27 2HB HIS 27 9.926 -4.229 -6.461 180 HD1 HIS 27 HD1 HIS 27 10.377 -3.263 -9.553 181 HD2 HIS 27 HD2 HIS 27 7.037 -2.711 -7.144 182 HE1 HIS 27 HE1 HIS 27 8.451 -2.941 -11.137 183 H VAL 28 H VAL 28 11.028 -0.879 -7.142 184 HA VAL 28 HA VAL 28 9.172 1.411 -7.051 185 HB VAL 28 HB VAL 28 12.175 1.351 -7.071 186 HG11 VAL 28 1HG1 VAL 28 10.379 3.586 -7.987 187 HG12 VAL 28 2HG1 VAL 28 12.047 3.837 -7.468 188 HG13 VAL 28 3HG1 VAL 28 11.700 2.823 -8.870 189 HG21 VAL 28 3HG2 VAL 28 11.950 2.869 -5.208 190 HG22 VAL 28 1HG2 VAL 28 10.205 2.957 -5.448 191 HG23 VAL 28 2HG2 VAL 28 10.948 1.446 -4.922 192 H THR 29 H THR 29 8.623 2.396 -8.946 193 HA THR 29 HA THR 29 9.839 1.373 -11.420 194 HB THR 29 HB THR 29 7.392 1.682 -12.357 195 HG1 THR 29 HG1 THR 29 6.390 2.340 -10.465 196 HG21 THR 29 3HG2 THR 29 8.068 -0.443 -12.711 197 HG22 THR 29 1HG2 THR 29 7.036 -0.802 -11.328 198 HG23 THR 29 2HG2 THR 29 8.773 -0.596 -11.102 199 H VAL 30 H VAL 30 10.373 3.825 -10.047 200 HA VAL 30 HA VAL 30 9.087 5.834 -11.761 201 HB VAL 30 HB VAL 30 10.871 6.407 -9.403 202 HG11 VAL 30 1HG1 VAL 30 9.730 8.027 -11.362 203 HG12 VAL 30 2HG1 VAL 30 8.723 8.259 -9.932 204 HG13 VAL 30 3HG1 VAL 30 10.461 8.548 -9.844 205 HG21 VAL 30 3HG2 VAL 30 9.304 5.497 -8.095 206 HG22 VAL 30 1HG2 VAL 30 8.291 6.866 -8.555 207 HG23 VAL 30 2HG2 VAL 30 8.163 5.340 -9.430 208 H GLY 31 H GLY 31 10.252 7.157 -13.107 209 HA2 GLY 31 1HA GLY 31 12.125 8.049 -14.164 210 HA3 GLY 31 2HA GLY 31 13.148 7.093 -13.101 211 H CYS 32 H CYS 32 11.122 4.844 -14.093 212 HA CYS 32 HA CYS 32 12.859 4.053 -16.315 213 HB2 CYS 32 1HB CYS 32 11.253 2.601 -14.286 214 HB3 CYS 32 2HB CYS 32 11.368 1.856 -15.878 215 H SER 33 H SER 33 11.489 2.442 -17.844 216 HA SER 33 HA SER 33 9.526 4.184 -19.094 217 HB2 SER 33 1HB SER 33 9.954 1.631 -20.422 218 HB3 SER 33 2HB SER 33 10.221 3.267 -21.025 219 HG SER 33 HG SER 33 12.213 3.215 -19.766 220 H GLY 34 H GLY 34 7.401 3.608 -19.561 221 HA2 GLY 34 1HA GLY 34 5.968 2.242 -17.626 222 HA3 GLY 34 2HA GLY 34 5.371 2.582 -19.243 223 H GLY 35 H GLY 35 6.338 0.178 -17.067 224 HA2 GLY 35 1HA GLY 35 5.500 -2.074 -17.729 225 HA3 GLY 35 2HA GLY 35 6.351 -1.820 -19.246 226 H PHE 36 H PHE 36 8.351 -0.437 -17.151 227 HA PHE 36 HA PHE 36 9.677 -2.941 -16.364 228 HB2 PHE 36 1HB PHE 36 11.087 -0.532 -17.528 229 HB3 PHE 36 2HB PHE 36 11.835 -2.048 -17.036 230 HD1 PHE 36 HD1 PHE 36 9.503 -0.530 -19.471 231 HD2 PHE 36 HD2 PHE 36 11.948 -3.877 -18.502 232 HE1 PHE 36 HE1 PHE 36 9.179 -1.420 -21.742 233 HE2 PHE 36 HE2 PHE 36 11.629 -4.771 -20.772 234 HZ PHE 36 HZ PHE 36 10.244 -3.542 -22.396 235 H GLY 37 H GLY 37 10.394 -2.989 -14.320 236 HA2 GLY 37 1HA GLY 37 10.479 -0.424 -12.851 237 HA3 GLY 37 2HA GLY 37 9.849 -1.906 -12.146 238 H CYS 38 H CYS 38 11.509 -1.165 -10.496 239 HA CYS 38 HA CYS 38 13.974 -2.650 -11.002 240 HB2 CYS 38 1HB CYS 38 14.081 0.082 -9.728 241 HB3 CYS 38 2HB CYS 38 15.424 -0.911 -10.286 242 H CYS 39 H CYS 39 14.858 -3.605 -9.195 243 HA CYS 39 HA CYS 39 13.306 -3.310 -6.707 244 HB2 CYS 39 1HB CYS 39 14.240 -5.691 -8.188 245 HB3 CYS 39 2HB CYS 39 14.455 -5.755 -6.441 246 H ARG 40 H ARG 40 14.508 -3.802 -4.711 247 HA ARG 40 HA ARG 40 16.798 -2.248 -4.447 248 HB2 ARG 40 1HB ARG 40 15.898 -4.526 -2.673 249 HB3 ARG 40 2HB ARG 40 17.038 -3.265 -2.224 250 HG2 ARG 40 1HG ARG 40 14.245 -2.614 -3.092 251 HG3 ARG 40 2HG ARG 40 14.626 -3.042 -1.422 252 HD2 ARG 40 1HD ARG 40 16.110 -0.881 -2.886 253 HD3 ARG 40 2HD ARG 40 14.597 -0.559 -2.041 254 HE ARG 40 HE ARG 40 15.910 -1.636 -0.070 255 HH11 ARG 40 1HH1 ARG 40 17.174 0.490 -2.521 256 HH12 ARG 40 2HH1 ARG 40 18.405 1.151 -1.497 257 HH21 ARG 40 1HH2 ARG 40 17.528 -0.773 1.288 258 HH22 ARG 40 2HH2 ARG 40 18.607 0.431 0.668 259 H ILE 41 H ILE 41 18.608 -2.632 -5.569 260 HA ILE 41 HA ILE 41 19.563 -5.358 -5.939 261 HB ILE 41 HB ILE 41 20.898 -2.840 -6.917 262 HG12 ILE 41 1HG1 ILE 41 18.605 -2.803 -7.725 263 HG13 ILE 41 2HG1 ILE 41 19.689 -3.211 -9.051 264 HG21 ILE 41 1HG2 ILE 41 22.423 -4.289 -7.631 265 HG22 ILE 41 2HG2 ILE 41 21.436 -5.659 -7.127 266 HG23 ILE 41 3HG2 ILE 41 21.206 -4.948 -8.724 267 HD11 ILE 41 3HD1 ILE 41 17.858 -4.642 -9.281 268 HD12 ILE 41 1HD1 ILE 41 19.122 -5.635 -8.557 269 HD13 ILE 41 2HD1 ILE 41 17.813 -5.004 -7.556 270 H GLY 42 H GLY 42 20.836 -2.278 -4.662 271 HA2 GLY 42 1HA GLY 42 22.977 -3.760 -3.317 272 HA3 GLY 42 2HA GLY 42 22.897 -2.016 -3.521 Start of MODEL 6 1 H1 ASP 1 1H ASP 1 1.993 -0.382 -3.226 2 HA ASP 1 HA ASP 1 1.625 -0.442 -0.982 3 HB2 ASP 1 1HB ASP 1 4.383 -1.609 -1.180 4 HB3 ASP 1 2HB ASP 1 3.656 -1.320 0.398 5 H ASP 2 H ASP 2 2.631 1.997 -2.237 6 HA ASP 2 HA ASP 2 3.230 4.106 -1.632 7 HB2 ASP 2 1HB ASP 2 2.270 2.863 0.824 8 HB3 ASP 2 2HB ASP 2 3.456 4.128 1.135 9 H THR 3 H THR 3 5.281 4.169 -2.459 10 HA THR 3 HA THR 3 7.483 3.339 -0.696 11 HB THR 3 HB THR 3 8.785 3.868 -2.963 12 HG1 THR 3 HG1 THR 3 6.256 2.962 -3.905 13 HG21 THR 3 3HG2 THR 3 8.962 1.588 -3.262 14 HG22 THR 3 1HG2 THR 3 7.255 1.303 -2.929 15 HG23 THR 3 2HG2 THR 3 8.363 1.662 -1.605 16 HA PRO 4 HA PRO 4 8.825 7.454 0.027 17 HB2 PRO 4 1HB PRO 4 11.527 7.204 -0.070 18 HB3 PRO 4 2HB PRO 4 10.550 6.570 1.260 19 HG2 PRO 4 1HG PRO 4 11.683 5.134 -1.110 20 HG3 PRO 4 2HG PRO 4 11.631 4.624 0.587 21 HD2 PRO 4 1HD PRO 4 9.878 3.709 -1.262 22 HD3 PRO 4 2HD PRO 4 9.438 3.930 0.443 23 H SER 5 H SER 5 10.679 9.048 -0.834 24 HA SER 5 HA SER 5 10.035 9.478 -3.610 25 HB2 SER 5 1HB SER 5 11.642 11.493 -3.218 26 HB3 SER 5 2HB SER 5 10.075 11.480 -2.409 27 HG SER 5 HG SER 5 12.608 10.834 -1.317 28 H SER 6 H SER 6 11.148 7.349 -4.131 29 HA SER 6 HA SER 6 14.039 7.749 -4.513 30 HB2 SER 6 1HB SER 6 12.505 5.143 -4.643 31 HB3 SER 6 2HB SER 6 14.257 5.345 -4.651 32 HG SER 6 HG SER 6 13.642 6.531 -2.514 33 H ARG 7 H ARG 7 14.501 5.890 -6.488 34 HA ARG 7 HA ARG 7 12.816 5.970 -8.711 35 HB2 ARG 7 1HB ARG 7 13.115 8.329 -8.842 36 HB3 ARG 7 2HB ARG 7 14.848 8.193 -8.581 37 HG2 ARG 7 1HG ARG 7 15.272 7.791 -10.745 38 HG3 ARG 7 2HG ARG 7 13.848 6.767 -10.939 39 HD2 ARG 7 1HD ARG 7 12.522 8.497 -11.567 40 HD3 ARG 7 2HD ARG 7 13.356 9.652 -10.528 41 HE ARG 7 HE ARG 7 13.887 9.130 -13.281 42 HH11 ARG 7 1HH1 ARG 7 15.359 10.079 -10.273 43 HH12 ARG 7 2HH1 ARG 7 16.655 10.944 -11.030 44 HH21 ARG 7 1HH2 ARG 7 15.588 10.266 -14.289 45 HH22 ARG 7 2HH2 ARG 7 16.784 11.051 -13.314 46 H CYS 8 H CYS 8 13.610 4.741 -10.385 47 HA CYS 8 HA CYS 8 15.599 2.894 -9.889 48 HB2 CYS 8 1HB CYS 8 14.579 3.890 -12.557 49 HB3 CYS 8 2HB CYS 8 15.554 2.440 -12.340 50 H GLY 9 H GLY 9 17.729 3.066 -9.725 51 HA2 GLY 9 1HA GLY 9 19.900 3.676 -10.222 52 HA3 GLY 9 2HA GLY 9 19.288 4.539 -11.625 53 H SER 10 H SER 10 18.120 5.151 -8.389 54 HA SER 10 HA SER 10 19.492 7.760 -8.453 55 HB2 SER 10 1HB SER 10 17.012 7.878 -8.777 56 HB3 SER 10 2HB SER 10 16.813 7.164 -7.177 57 HG SER 10 HG SER 10 16.736 9.518 -7.276 58 H GLY 11 H GLY 11 19.078 4.846 -6.789 59 HA2 GLY 11 1HA GLY 11 20.798 5.760 -4.650 60 HA3 GLY 11 2HA GLY 11 19.180 5.310 -4.132 61 H GLY 12 H GLY 12 18.508 3.131 -4.313 62 HA2 GLY 12 1HA GLY 12 20.779 1.255 -4.503 63 HA3 GLY 12 2HA GLY 12 19.371 1.014 -3.480 64 H TRP 13 H TRP 13 18.003 2.212 -6.111 65 HA TRP 13 HA TRP 13 17.284 -0.413 -7.106 66 HB2 TRP 13 1HB TRP 13 16.271 2.205 -8.192 67 HB3 TRP 13 2HB TRP 13 15.473 0.635 -8.189 68 HD1 TRP 13 HD1 TRP 13 16.029 3.712 -6.038 69 HE1 TRP 13 HE1 TRP 13 14.539 3.556 -3.945 70 HE3 TRP 13 HE3 TRP 13 14.394 -1.103 -6.563 71 HZ2 TRP 13 HZ2 TRP 13 12.890 1.644 -2.683 72 HZ3 TRP 13 HZ3 TRP 13 12.863 -2.020 -4.869 73 HH2 TRP 13 HH2 TRP 13 12.128 -0.673 -2.970 74 H GLY 14 H GLY 14 17.842 -1.278 -9.034 75 HA2 GLY 14 1HA GLY 14 20.133 -0.394 -10.377 76 HA3 GLY 14 2HA GLY 14 18.991 -1.578 -10.997 77 HA PRO 15 HA PRO 15 18.925 2.196 -13.726 78 HB2 PRO 15 1HB PRO 15 19.260 0.831 -16.049 79 HB3 PRO 15 2HB PRO 15 20.614 1.395 -15.062 80 HG2 PRO 15 1HG PRO 15 19.383 -1.330 -15.210 81 HG3 PRO 15 2HG PRO 15 21.097 -0.878 -15.152 82 HD2 PRO 15 1HD PRO 15 19.746 -1.748 -12.973 83 HD3 PRO 15 2HD PRO 15 21.068 -0.569 -12.868 84 H CYS 16 H CYS 16 17.645 -1.004 -14.672 85 HA CYS 16 HA CYS 16 14.943 -0.320 -14.429 86 HB2 CYS 16 1HB CYS 16 16.214 0.575 -16.890 87 HB3 CYS 16 2HB CYS 16 14.869 -0.517 -17.202 88 H LEU 17 H LEU 17 13.917 -2.194 -14.224 89 HA LEU 17 HA LEU 17 14.909 -4.518 -15.737 90 HB2 LEU 17 1HB LEU 17 15.630 -4.827 -13.493 91 HB3 LEU 17 2HB LEU 17 14.055 -4.360 -12.857 92 HG LEU 17 HG LEU 17 13.419 -6.545 -14.364 93 HD11 LEU 17 1HD1 LEU 17 15.963 -6.821 -14.636 94 HD12 LEU 17 2HD1 LEU 17 15.010 -8.227 -14.165 95 HD13 LEU 17 3HD1 LEU 17 15.937 -7.344 -12.952 96 HD21 LEU 17 3HD2 LEU 17 13.670 -5.844 -11.574 97 HD22 LEU 17 1HD2 LEU 17 13.992 -7.559 -11.837 98 HD23 LEU 17 2HD2 LEU 17 12.468 -6.855 -12.378 99 HA PRO 18 HA PRO 18 10.752 -4.903 -17.151 100 HB2 PRO 18 1HB PRO 18 10.839 -7.494 -17.958 101 HB3 PRO 18 2HB PRO 18 11.616 -6.183 -18.853 102 HG2 PRO 18 1HG PRO 18 12.822 -8.146 -16.942 103 HG3 PRO 18 2HG PRO 18 13.446 -7.573 -18.499 104 HD2 PRO 18 1HD PRO 18 14.336 -6.611 -16.130 105 HD3 PRO 18 2HD PRO 18 14.255 -5.613 -17.596 106 H ILE 19 H ILE 19 8.970 -5.134 -15.969 107 HA ILE 19 HA ILE 19 8.838 -6.430 -13.506 108 HB ILE 19 HB ILE 19 6.501 -5.854 -15.329 109 HG12 ILE 19 1HG1 ILE 19 7.833 -4.077 -13.273 110 HG13 ILE 19 2HG1 ILE 19 7.907 -3.861 -15.019 111 HG21 ILE 19 1HG2 ILE 19 6.705 -6.995 -12.717 112 HG22 ILE 19 2HG2 ILE 19 5.879 -5.442 -12.614 113 HG23 ILE 19 3HG2 ILE 19 5.265 -6.697 -13.690 114 HD11 ILE 19 3HD1 ILE 19 5.378 -3.675 -14.945 115 HD12 ILE 19 1HD1 ILE 19 5.552 -3.524 -13.197 116 HD13 ILE 19 2HD1 ILE 19 6.303 -2.336 -14.264 117 H VAL 20 H VAL 20 8.591 -7.701 -16.683 118 HA VAL 20 HA VAL 20 6.969 -9.940 -16.288 119 HB VAL 20 HB VAL 20 7.865 -9.110 -18.494 120 HG11 VAL 20 1HG1 VAL 20 10.022 -9.334 -19.110 121 HG12 VAL 20 2HG1 VAL 20 10.308 -9.349 -17.369 122 HG13 VAL 20 3HG1 VAL 20 10.216 -10.868 -18.262 123 HG21 VAL 20 3HG2 VAL 20 8.468 -11.731 -19.069 124 HG22 VAL 20 1HG2 VAL 20 7.500 -11.859 -17.600 125 HG23 VAL 20 2HG2 VAL 20 6.850 -11.033 -19.016 126 H ASP 21 H ASP 21 10.177 -9.271 -15.210 127 HA ASP 21 HA ASP 21 10.478 -12.066 -14.326 128 HB2 ASP 21 1HB ASP 21 12.239 -11.232 -15.887 129 HB3 ASP 21 2HB ASP 21 12.665 -10.009 -14.692 130 H LEU 22 H LEU 22 9.606 -9.087 -13.255 131 HA LEU 22 HA LEU 22 10.950 -8.512 -10.953 132 HB2 LEU 22 1HB LEU 22 8.596 -7.704 -12.093 133 HB3 LEU 22 2HB LEU 22 8.048 -8.442 -10.589 134 HG LEU 22 HG LEU 22 9.814 -6.916 -9.472 135 HD11 LEU 22 1HD1 LEU 22 9.379 -4.921 -11.542 136 HD12 LEU 22 2HD1 LEU 22 10.373 -6.272 -12.085 137 HD13 LEU 22 3HD1 LEU 22 10.849 -5.343 -10.664 138 HD21 LEU 22 3HD2 LEU 22 7.208 -6.760 -9.589 139 HD22 LEU 22 1HD2 LEU 22 7.537 -5.381 -10.638 140 HD23 LEU 22 2HD2 LEU 22 8.155 -5.399 -8.986 141 H LEU 23 H LEU 23 10.543 -8.991 -8.704 142 HA LEU 23 HA LEU 23 9.256 -11.575 -8.192 143 HB2 LEU 23 1HB LEU 23 11.456 -12.295 -8.343 144 HB3 LEU 23 2HB LEU 23 12.092 -10.815 -7.628 145 HG LEU 23 HG LEU 23 10.435 -12.595 -5.915 146 HD11 LEU 23 1HD1 LEU 23 13.231 -13.206 -6.837 147 HD12 LEU 23 2HD1 LEU 23 11.813 -14.254 -6.873 148 HD13 LEU 23 3HD1 LEU 23 12.558 -13.832 -5.332 149 HD21 LEU 23 3HD2 LEU 23 11.099 -10.808 -4.678 150 HD22 LEU 23 1HD2 LEU 23 12.565 -10.553 -5.625 151 HD23 LEU 23 2HD2 LEU 23 12.505 -11.843 -4.424 152 H CYS 24 H CYS 24 9.959 -8.381 -7.276 153 HA CYS 24 HA CYS 24 8.987 -8.808 -4.540 154 HB2 CYS 24 1HB CYS 24 9.815 -6.096 -5.368 155 HB3 CYS 24 2HB CYS 24 10.183 -6.988 -3.896 156 H ILE 25 H ILE 25 7.647 -6.807 -3.750 157 HA ILE 25 HA ILE 25 5.597 -6.219 -5.785 158 HB ILE 25 HB ILE 25 5.086 -6.701 -2.848 159 HG12 ILE 25 1HG1 ILE 25 4.411 -8.457 -5.218 160 HG13 ILE 25 2HG1 ILE 25 5.730 -8.758 -4.092 161 HG21 ILE 25 1HG2 ILE 25 3.221 -6.207 -5.164 162 HG22 ILE 25 2HG2 ILE 25 2.712 -6.693 -3.548 163 HG23 ILE 25 3HG2 ILE 25 3.512 -5.140 -3.790 164 HD11 ILE 25 3HD1 ILE 25 3.876 -8.703 -2.292 165 HD12 ILE 25 1HD1 ILE 25 2.788 -8.968 -3.654 166 HD13 ILE 25 2HD1 ILE 25 4.064 -10.135 -3.303 167 H VAL 26 H VAL 26 7.295 -5.133 -2.900 168 HA VAL 26 HA VAL 26 6.092 -2.487 -3.065 169 HB VAL 26 HB VAL 26 6.575 -3.666 -0.867 170 HG11 VAL 26 1HG1 VAL 26 8.695 -3.973 -0.089 171 HG12 VAL 26 2HG1 VAL 26 8.998 -4.175 -1.815 172 HG13 VAL 26 3HG1 VAL 26 9.354 -2.636 -1.030 173 HG21 VAL 26 3HG2 VAL 26 6.417 -1.646 0.066 174 HG22 VAL 26 1HG2 VAL 26 8.001 -1.161 -0.540 175 HG23 VAL 26 2HG2 VAL 26 6.574 -0.987 -1.562 176 H HIS 27 H HIS 27 8.140 -3.777 -5.006 177 HA HIS 27 HA HIS 27 10.559 -2.401 -4.882 178 HB2 HIS 27 1HB HIS 27 10.907 -3.048 -7.128 179 HB3 HIS 27 2HB HIS 27 9.897 -4.316 -6.440 180 HD1 HIS 27 HD1 HIS 27 10.168 -3.202 -9.526 181 HD2 HIS 27 HD2 HIS 27 6.984 -2.800 -6.886 182 HE1 HIS 27 HE1 HIS 27 8.143 -2.822 -10.968 183 H VAL 28 H VAL 28 10.980 -0.956 -7.118 184 HA VAL 28 HA VAL 28 9.133 1.328 -6.858 185 HB VAL 28 HB VAL 28 12.129 1.276 -6.960 186 HG11 VAL 28 1HG1 VAL 28 10.331 3.514 -7.863 187 HG12 VAL 28 2HG1 VAL 28 12.005 3.763 -7.363 188 HG13 VAL 28 3HG1 VAL 28 11.642 2.744 -8.757 189 HG21 VAL 28 3HG2 VAL 28 10.168 2.865 -5.306 190 HG22 VAL 28 1HG2 VAL 28 10.978 1.386 -4.790 191 HG23 VAL 28 2HG2 VAL 28 11.921 2.841 -5.114 192 H THR 29 H THR 29 8.537 2.399 -8.703 193 HA THR 29 HA THR 29 9.635 1.428 -11.252 194 HB THR 29 HB THR 29 7.155 1.799 -12.077 195 HG1 THR 29 HG1 THR 29 6.921 1.321 -9.290 196 HG21 THR 29 3HG2 THR 29 7.784 -0.322 -12.526 197 HG22 THR 29 1HG2 THR 29 6.810 -0.713 -11.110 198 HG23 THR 29 2HG2 THR 29 8.558 -0.534 -10.956 199 H VAL 30 H VAL 30 10.439 3.773 -10.031 200 HA VAL 30 HA VAL 30 9.056 5.868 -11.572 201 HB VAL 30 HB VAL 30 10.919 6.302 -9.239 202 HG11 VAL 30 1HG1 VAL 30 10.853 8.363 -10.149 203 HG12 VAL 30 2HG1 VAL 30 9.372 8.034 -11.050 204 HG13 VAL 30 3HG1 VAL 30 9.290 8.451 -9.338 205 HG21 VAL 30 3HG2 VAL 30 8.195 5.366 -9.251 206 HG22 VAL 30 1HG2 VAL 30 9.297 5.594 -7.893 207 HG23 VAL 30 2HG2 VAL 30 8.311 6.940 -8.464 208 H GLY 31 H GLY 31 10.174 7.127 -12.993 209 HA2 GLY 31 1HA GLY 31 12.005 7.996 -14.134 210 HA3 GLY 31 2HA GLY 31 13.066 7.075 -13.078 211 H CYS 32 H CYS 32 10.986 4.814 -13.982 212 HA CYS 32 HA CYS 32 12.697 3.938 -16.190 213 HB2 CYS 32 1HB CYS 32 11.010 2.563 -14.161 214 HB3 CYS 32 2HB CYS 32 11.180 1.782 -15.729 215 H SER 33 H SER 33 11.300 2.346 -17.703 216 HA SER 33 HA SER 33 9.432 4.114 -19.033 217 HB2 SER 33 1HB SER 33 10.976 1.698 -19.752 218 HB3 SER 33 2HB SER 33 9.405 1.851 -20.538 219 HG SER 33 HG SER 33 10.266 4.161 -20.877 220 H GLY 34 H GLY 34 7.317 3.400 -19.755 221 HA2 GLY 34 1HA GLY 34 5.748 2.366 -17.659 222 HA3 GLY 34 2HA GLY 34 5.206 2.615 -19.312 223 H GLY 35 H GLY 35 6.435 0.332 -17.002 224 HA2 GLY 35 1HA GLY 35 5.370 -1.933 -17.431 225 HA3 GLY 35 2HA GLY 35 6.149 -1.820 -19.003 226 H PHE 36 H PHE 36 8.210 -0.357 -16.930 227 HA PHE 36 HA PHE 36 9.562 -2.861 -16.187 228 HB2 PHE 36 1HB PHE 36 10.945 -0.424 -17.326 229 HB3 PHE 36 2HB PHE 36 11.706 -1.944 -16.866 230 HD1 PHE 36 HD1 PHE 36 9.341 -0.401 -19.253 231 HD2 PHE 36 HD2 PHE 36 11.821 -3.744 -18.365 232 HE1 PHE 36 HE1 PHE 36 9.002 -1.254 -21.536 233 HE2 PHE 36 HE2 PHE 36 11.487 -4.602 -20.647 234 HZ PHE 36 HZ PHE 36 10.076 -3.357 -22.236 235 H GLY 37 H GLY 37 10.274 -2.932 -14.143 236 HA2 GLY 37 1HA GLY 37 10.361 -0.385 -12.644 237 HA3 GLY 37 2HA GLY 37 9.741 -1.878 -11.955 238 H CYS 38 H CYS 38 11.392 -1.197 -10.292 239 HA CYS 38 HA CYS 38 13.830 -2.701 -10.786 240 HB2 CYS 38 1HB CYS 38 15.135 -0.753 -9.677 241 HB3 CYS 38 2HB CYS 38 14.739 -0.638 -11.388 242 H CYS 39 H CYS 39 14.723 -3.585 -8.948 243 HA CYS 39 HA CYS 39 13.221 -3.122 -6.454 244 HB2 CYS 39 1HB CYS 39 13.295 -5.455 -7.809 245 HB3 CYS 39 2HB CYS 39 14.713 -5.660 -6.785 246 H ARG 40 H ARG 40 14.495 -3.707 -4.459 247 HA ARG 40 HA ARG 40 16.807 -2.121 -4.309 248 HB2 ARG 40 1HB ARG 40 15.913 -4.286 -2.396 249 HB3 ARG 40 2HB ARG 40 17.046 -2.989 -2.038 250 HG2 ARG 40 1HG ARG 40 14.238 -2.415 -2.913 251 HG3 ARG 40 2HG ARG 40 14.638 -2.741 -1.225 252 HD2 ARG 40 1HD ARG 40 15.940 -0.603 -2.905 253 HD3 ARG 40 2HD ARG 40 14.586 -0.321 -1.812 254 HE ARG 40 HE ARG 40 16.014 -0.692 0.018 255 HH11 ARG 40 1HH1 ARG 40 17.663 -0.942 -3.037 256 HH12 ARG 40 2HH1 ARG 40 19.244 -0.799 -2.344 257 HH21 ARG 40 1HH2 ARG 40 18.090 -0.502 0.944 258 HH22 ARG 40 2HH2 ARG 40 19.486 -0.549 -0.079 259 H ILE 41 H ILE 41 18.710 -2.555 -5.195 260 HA ILE 41 HA ILE 41 19.566 -5.349 -5.461 261 HB ILE 41 HB ILE 41 20.667 -2.864 -6.780 262 HG12 ILE 41 1HG1 ILE 41 18.987 -5.124 -7.888 263 HG13 ILE 41 2HG1 ILE 41 18.432 -3.480 -7.591 264 HG21 ILE 41 1HG2 ILE 41 21.431 -5.251 -8.106 265 HG22 ILE 41 2HG2 ILE 41 22.458 -4.058 -7.312 266 HG23 ILE 41 3HG2 ILE 41 21.826 -5.427 -6.397 267 HD11 ILE 41 3HD1 ILE 41 20.606 -3.094 -9.208 268 HD12 ILE 41 1HD1 ILE 41 19.904 -4.582 -9.843 269 HD13 ILE 41 2HD1 ILE 41 18.922 -3.121 -9.729 270 H GLY 42 H GLY 42 20.892 -2.169 -4.533 271 HA2 GLY 42 1HA GLY 42 23.301 -3.207 -3.462 272 HA3 GLY 42 2HA GLY 42 22.642 -1.608 -3.155 Start of MODEL 7 1 H1 ASP 1 1H ASP 1 1.863 0.610 3.145 2 HA ASP 1 HA ASP 1 2.587 -0.633 1.300 3 HB2 ASP 1 1HB ASP 1 -0.138 0.335 0.414 4 HB3 ASP 1 2HB ASP 1 0.648 -1.173 -0.046 5 H ASP 2 H ASP 2 3.906 1.694 0.982 6 HA ASP 2 HA ASP 2 3.941 1.969 -1.906 7 HB2 ASP 2 1HB ASP 2 3.743 4.453 -0.198 8 HB3 ASP 2 2HB ASP 2 3.733 4.353 -1.957 9 H THR 3 H THR 3 5.693 4.033 -2.188 10 HA THR 3 HA THR 3 7.999 3.306 -0.510 11 HB THR 3 HB THR 3 9.290 3.797 -2.792 12 HG1 THR 3 HG1 THR 3 6.737 2.799 -3.568 13 HG21 THR 3 3HG2 THR 3 8.188 1.319 -1.595 14 HG22 THR 3 1HG2 THR 3 9.862 1.785 -1.894 15 HG23 THR 3 2HG2 THR 3 8.863 1.189 -3.219 16 HA PRO 4 HA PRO 4 8.827 7.599 -0.121 17 HB2 PRO 4 1HB PRO 4 11.541 7.666 -0.151 18 HB3 PRO 4 2HB PRO 4 10.611 7.033 1.212 19 HG2 PRO 4 1HG PRO 4 11.967 5.551 -1.007 20 HG3 PRO 4 2HG PRO 4 11.931 5.181 0.727 21 HD2 PRO 4 1HD PRO 4 10.348 3.912 -1.066 22 HD3 PRO 4 2HD PRO 4 9.839 4.220 0.607 23 H SER 5 H SER 5 10.604 9.281 -1.085 24 HA SER 5 HA SER 5 9.915 9.480 -3.871 25 HB2 SER 5 1HB SER 5 10.073 11.411 -2.181 26 HB3 SER 5 2HB SER 5 11.819 11.302 -2.406 27 HG SER 5 HG SER 5 11.618 12.236 -4.277 28 H SER 6 H SER 6 11.138 7.362 -4.232 29 HA SER 6 HA SER 6 14.004 7.851 -4.657 30 HB2 SER 6 1HB SER 6 12.622 5.643 -3.600 31 HB3 SER 6 2HB SER 6 13.185 5.131 -5.191 32 HG SER 6 HG SER 6 14.906 6.450 -3.387 33 H ARG 7 H ARG 7 14.522 5.951 -6.586 34 HA ARG 7 HA ARG 7 12.859 5.945 -8.825 35 HB2 ARG 7 1HB ARG 7 13.085 8.289 -9.047 36 HB3 ARG 7 2HB ARG 7 14.807 8.237 -8.695 37 HG2 ARG 7 1HG ARG 7 15.367 7.694 -10.816 38 HG3 ARG 7 2HG ARG 7 13.901 6.747 -11.078 39 HD2 ARG 7 1HD ARG 7 12.670 8.571 -11.709 40 HD3 ARG 7 2HD ARG 7 13.638 9.690 -10.749 41 HE ARG 7 HE ARG 7 14.020 9.041 -13.478 42 HH11 ARG 7 1HH1 ARG 7 15.768 9.740 -10.550 43 HH12 ARG 7 2HH1 ARG 7 17.156 10.369 -11.374 44 HH21 ARG 7 1HH2 ARG 7 15.841 9.867 -14.575 45 HH22 ARG 7 2HH2 ARG 7 17.196 10.442 -13.664 46 H CYS 8 H CYS 8 13.702 4.709 -10.473 47 HA CYS 8 HA CYS 8 15.722 2.913 -9.919 48 HB2 CYS 8 1HB CYS 8 14.773 3.840 -12.639 49 HB3 CYS 8 2HB CYS 8 15.700 2.375 -12.332 50 H GLY 9 H GLY 9 17.839 3.156 -9.699 51 HA2 GLY 9 1HA GLY 9 20.007 3.775 -10.229 52 HA3 GLY 9 2HA GLY 9 19.379 4.668 -11.606 53 H SER 10 H SER 10 18.099 5.236 -8.429 54 HA SER 10 HA SER 10 19.514 7.822 -8.372 55 HB2 SER 10 1HB SER 10 16.982 7.832 -8.779 56 HB3 SER 10 2HB SER 10 16.826 7.315 -7.100 57 HG SER 10 HG SER 10 17.686 9.759 -8.145 58 H GLY 11 H GLY 11 18.731 4.931 -6.678 59 HA2 GLY 11 1HA GLY 11 20.440 5.782 -4.467 60 HA3 GLY 11 2HA GLY 11 18.798 5.308 -4.060 61 H GLY 12 H GLY 12 18.220 3.153 -4.087 62 HA2 GLY 12 1HA GLY 12 20.494 1.292 -4.301 63 HA3 GLY 12 2HA GLY 12 19.059 1.030 -3.321 64 H TRP 13 H TRP 13 17.762 2.238 -5.985 65 HA TRP 13 HA TRP 13 17.091 -0.386 -7.017 66 HB2 TRP 13 1HB TRP 13 16.098 2.238 -8.112 67 HB3 TRP 13 2HB TRP 13 15.313 0.662 -8.161 68 HD1 TRP 13 HD1 TRP 13 15.714 3.731 -5.984 69 HE1 TRP 13 HE1 TRP 13 14.170 3.524 -3.935 70 HE3 TRP 13 HE3 TRP 13 14.263 -1.138 -6.549 71 HZ2 TRP 13 HZ2 TRP 13 12.552 1.557 -2.718 72 HZ3 TRP 13 HZ3 TRP 13 12.716 -2.107 -4.899 73 HH2 TRP 13 HH2 TRP 13 11.880 -0.786 -3.024 74 H GLY 14 H GLY 14 17.728 -1.242 -8.923 75 HA2 GLY 14 1HA GLY 14 20.048 -0.328 -10.192 76 HA3 GLY 14 2HA GLY 14 18.942 -1.525 -10.849 77 HA PRO 15 HA PRO 15 18.916 2.252 -13.575 78 HB2 PRO 15 1HB PRO 15 19.343 0.895 -15.888 79 HB3 PRO 15 2HB PRO 15 20.657 1.474 -14.857 80 HG2 PRO 15 1HG PRO 15 19.465 -1.266 -15.047 81 HG3 PRO 15 2HG PRO 15 21.171 -0.792 -14.934 82 HD2 PRO 15 1HD PRO 15 19.762 -1.683 -12.800 83 HD3 PRO 15 2HD PRO 15 21.065 -0.487 -12.652 84 H CYS 16 H CYS 16 17.718 -0.957 -14.596 85 HA CYS 16 HA CYS 16 14.995 -0.301 -14.434 86 HB2 CYS 16 1HB CYS 16 16.349 0.575 -16.864 87 HB3 CYS 16 2HB CYS 16 15.006 -0.513 -17.201 88 H LEU 17 H LEU 17 13.978 -2.182 -14.254 89 HA LEU 17 HA LEU 17 15.038 -4.504 -15.722 90 HB2 LEU 17 1HB LEU 17 15.706 -4.789 -13.456 91 HB3 LEU 17 2HB LEU 17 14.106 -4.346 -12.866 92 HG LEU 17 HG LEU 17 13.544 -6.545 -14.378 93 HD11 LEU 17 1HD1 LEU 17 16.127 -6.749 -14.550 94 HD12 LEU 17 2HD1 LEU 17 15.161 -8.181 -14.198 95 HD13 LEU 17 3HD1 LEU 17 16.010 -7.350 -12.895 96 HD21 LEU 17 3HD2 LEU 17 13.706 -5.828 -11.591 97 HD22 LEU 17 1HD2 LEU 17 14.091 -7.533 -11.827 98 HD23 LEU 17 2HD2 LEU 17 12.559 -6.886 -12.415 99 HA PRO 18 HA PRO 18 10.922 -4.940 -17.236 100 HB2 PRO 18 1HB PRO 18 11.055 -7.533 -18.029 101 HB3 PRO 18 2HB PRO 18 11.840 -6.217 -18.911 102 HG2 PRO 18 1HG PRO 18 13.019 -8.159 -16.962 103 HG3 PRO 18 2HG PRO 18 13.676 -7.586 -18.506 104 HD2 PRO 18 1HD PRO 18 14.497 -6.604 -16.120 105 HD3 PRO 18 2HD PRO 18 14.442 -5.613 -17.592 106 H ILE 19 H ILE 19 9.115 -5.181 -16.094 107 HA ILE 19 HA ILE 19 8.938 -6.472 -13.631 108 HB ILE 19 HB ILE 19 6.635 -5.927 -15.505 109 HG12 ILE 19 1HG1 ILE 19 7.941 -4.123 -13.456 110 HG13 ILE 19 2HG1 ILE 19 7.990 -3.911 -15.203 111 HG21 ILE 19 1HG2 ILE 19 5.338 -5.737 -13.417 112 HG22 ILE 19 2HG2 ILE 19 6.023 -7.345 -13.645 113 HG23 ILE 19 3HG2 ILE 19 6.768 -6.223 -12.508 114 HD11 ILE 19 3HD1 ILE 19 6.333 -2.454 -14.678 115 HD12 ILE 19 1HD1 ILE 19 5.369 -3.910 -14.919 116 HD13 ILE 19 2HD1 ILE 19 5.792 -3.392 -13.287 117 H VAL 20 H VAL 20 8.780 -7.754 -16.807 118 HA VAL 20 HA VAL 20 7.165 -10.003 -16.454 119 HB VAL 20 HB VAL 20 8.127 -9.176 -18.633 120 HG11 VAL 20 1HG1 VAL 20 10.473 -10.920 -18.354 121 HG12 VAL 20 2HG1 VAL 20 10.306 -9.358 -19.158 122 HG13 VAL 20 3HG1 VAL 20 10.536 -9.431 -17.411 123 HG21 VAL 20 3HG2 VAL 20 7.656 -11.884 -17.747 124 HG22 VAL 20 1HG2 VAL 20 7.200 -11.100 -19.259 125 HG23 VAL 20 2HG2 VAL 20 8.792 -11.841 -19.095 126 H ASP 21 H ASP 21 10.327 -9.308 -15.269 127 HA ASP 21 HA ASP 21 10.617 -12.098 -14.367 128 HB2 ASP 21 1HB ASP 21 12.422 -11.244 -15.876 129 HB3 ASP 21 2HB ASP 21 12.809 -10.035 -14.655 130 H LEU 22 H LEU 22 9.701 -9.115 -13.339 131 HA LEU 22 HA LEU 22 10.966 -8.530 -10.994 132 HB2 LEU 22 1HB LEU 22 8.647 -7.732 -12.219 133 HB3 LEU 22 2HB LEU 22 8.056 -8.455 -10.724 134 HG LEU 22 HG LEU 22 9.784 -6.919 -9.568 135 HD11 LEU 22 1HD1 LEU 22 9.423 -4.945 -11.674 136 HD12 LEU 22 2HD1 LEU 22 10.432 -6.304 -12.168 137 HD13 LEU 22 3HD1 LEU 22 10.862 -5.361 -10.742 138 HD21 LEU 22 3HD2 LEU 22 7.175 -6.758 -9.800 139 HD22 LEU 22 1HD2 LEU 22 7.566 -5.370 -10.816 140 HD23 LEU 22 2HD2 LEU 22 8.107 -5.414 -9.138 141 H LEU 23 H LEU 23 10.481 -9.000 -8.758 142 HA LEU 23 HA LEU 23 9.176 -11.581 -8.280 143 HB2 LEU 23 1HB LEU 23 11.379 -12.303 -8.355 144 HB3 LEU 23 2HB LEU 23 11.992 -10.821 -7.624 145 HG LEU 23 HG LEU 23 10.276 -12.596 -5.963 146 HD11 LEU 23 1HD1 LEU 23 12.222 -13.944 -5.329 147 HD12 LEU 23 2HD1 LEU 23 13.166 -13.168 -6.601 148 HD13 LEU 23 3HD1 LEU 23 11.783 -14.178 -7.022 149 HD21 LEU 23 3HD2 LEU 23 10.894 -10.797 -4.716 150 HD22 LEU 23 1HD2 LEU 23 12.399 -10.555 -5.604 151 HD23 LEU 23 2HD2 LEU 23 12.282 -11.838 -4.398 152 H CYS 24 H CYS 24 9.849 -8.384 -7.354 153 HA CYS 24 HA CYS 24 8.791 -8.798 -4.649 154 HB2 CYS 24 1HB CYS 24 9.641 -6.091 -5.481 155 HB3 CYS 24 2HB CYS 24 9.948 -6.958 -3.980 156 H ILE 25 H ILE 25 7.439 -6.762 -3.925 157 HA ILE 25 HA ILE 25 5.445 -6.205 -6.022 158 HB ILE 25 HB ILE 25 4.867 -6.717 -3.101 159 HG12 ILE 25 1HG1 ILE 25 4.141 -8.387 -5.517 160 HG13 ILE 25 2HG1 ILE 25 5.482 -8.744 -4.434 161 HG21 ILE 25 1HG2 ILE 25 2.533 -6.834 -4.665 162 HG22 ILE 25 2HG2 ILE 25 2.964 -5.633 -3.449 163 HG23 ILE 25 3HG2 ILE 25 3.385 -5.364 -5.140 164 HD11 ILE 25 3HD1 ILE 25 4.059 -9.967 -3.261 165 HD12 ILE 25 1HD1 ILE 25 3.298 -8.459 -2.754 166 HD13 ILE 25 2HD1 ILE 25 2.676 -9.334 -4.153 167 H VAL 26 H VAL 26 7.053 -5.100 -3.094 168 HA VAL 26 HA VAL 26 5.847 -2.459 -3.306 169 HB VAL 26 HB VAL 26 6.271 -3.627 -1.089 170 HG11 VAL 26 1HG1 VAL 26 8.686 -4.197 -1.915 171 HG12 VAL 26 2HG1 VAL 26 9.067 -2.601 -1.265 172 HG13 VAL 26 3HG1 VAL 26 8.387 -3.843 -0.213 173 HG21 VAL 26 3HG2 VAL 26 6.269 -1.614 -0.054 174 HG22 VAL 26 1HG2 VAL 26 7.678 -1.035 -0.943 175 HG23 VAL 26 2HG2 VAL 26 6.087 -1.020 -1.704 176 H HIS 27 H HIS 27 7.954 -3.752 -5.181 177 HA HIS 27 HA HIS 27 10.363 -2.366 -4.994 178 HB2 HIS 27 1HB HIS 27 10.778 -3.023 -7.227 179 HB3 HIS 27 2HB HIS 27 9.756 -4.292 -6.559 180 HD1 HIS 27 HD1 HIS 27 10.107 -3.185 -9.643 181 HD2 HIS 27 HD2 HIS 27 6.847 -2.807 -7.095 182 HE1 HIS 27 HE1 HIS 27 8.120 -2.828 -11.142 183 H VAL 28 H VAL 28 10.849 -0.928 -7.216 184 HA VAL 28 HA VAL 28 8.976 1.342 -7.041 185 HB VAL 28 HB VAL 28 11.977 1.328 -7.032 186 HG11 VAL 28 1HG1 VAL 28 11.520 2.819 -8.815 187 HG12 VAL 28 2HG1 VAL 28 10.168 3.551 -7.949 188 HG13 VAL 28 3HG1 VAL 28 11.821 3.819 -7.395 189 HG21 VAL 28 3HG2 VAL 28 11.691 2.848 -5.163 190 HG22 VAL 28 1HG2 VAL 28 9.945 2.860 -5.412 191 HG23 VAL 28 2HG2 VAL 28 10.752 1.380 -4.895 192 H THR 29 H THR 29 8.471 2.418 -8.914 193 HA THR 29 HA THR 29 9.683 1.438 -11.407 194 HB THR 29 HB THR 29 7.255 1.788 -12.358 195 HG1 THR 29 HG1 THR 29 6.423 2.467 -10.282 196 HG21 THR 29 3HG2 THR 29 8.567 -0.529 -11.094 197 HG22 THR 29 1HG2 THR 29 7.914 -0.344 -12.721 198 HG23 THR 29 2HG2 THR 29 6.833 -0.696 -11.372 199 H VAL 30 H VAL 30 10.433 3.786 -10.163 200 HA VAL 30 HA VAL 30 9.101 5.885 -11.740 201 HB VAL 30 HB VAL 30 10.858 6.183 -9.300 202 HG11 VAL 30 1HG1 VAL 30 9.700 8.112 -11.226 203 HG12 VAL 30 2HG1 VAL 30 9.648 8.549 -9.518 204 HG13 VAL 30 3HG1 VAL 30 11.193 8.198 -10.292 205 HG21 VAL 30 3HG2 VAL 30 8.901 6.658 -8.060 206 HG22 VAL 30 1HG2 VAL 30 7.909 6.735 -9.517 207 HG23 VAL 30 2HG2 VAL 30 8.554 5.187 -8.969 208 H GLY 31 H GLY 31 10.243 7.131 -13.152 209 HA2 GLY 31 1HA GLY 31 12.091 7.982 -14.278 210 HA3 GLY 31 2HA GLY 31 13.135 7.065 -13.203 211 H CYS 32 H CYS 32 11.039 4.818 -14.135 212 HA CYS 32 HA CYS 32 12.781 3.918 -16.311 213 HB2 CYS 32 1HB CYS 32 11.051 2.555 -14.305 214 HB3 CYS 32 2HB CYS 32 11.275 1.763 -15.861 215 H SER 33 H SER 33 11.406 2.329 -17.838 216 HA SER 33 HA SER 33 9.547 4.092 -19.189 217 HB2 SER 33 1HB SER 33 10.010 1.344 -20.214 218 HB3 SER 33 2HB SER 33 9.982 2.881 -21.078 219 HG SER 33 HG SER 33 12.052 3.316 -20.158 220 H GLY 34 H GLY 34 7.450 3.342 -19.958 221 HA2 GLY 34 1HA GLY 34 5.857 2.308 -17.876 222 HA3 GLY 34 2HA GLY 34 5.337 2.551 -19.537 223 H GLY 35 H GLY 35 6.578 0.282 -17.213 224 HA2 GLY 35 1HA GLY 35 5.522 -1.993 -17.658 225 HA3 GLY 35 2HA GLY 35 6.335 -1.875 -19.212 226 H PHE 36 H PHE 36 8.343 -0.394 -17.108 227 HA PHE 36 HA PHE 36 9.692 -2.885 -16.319 228 HB2 PHE 36 1HB PHE 36 11.082 -0.449 -17.453 229 HB3 PHE 36 2HB PHE 36 11.846 -1.956 -16.958 230 HD1 PHE 36 HD1 PHE 36 9.521 -0.464 -19.415 231 HD2 PHE 36 HD2 PHE 36 12.008 -3.775 -18.431 232 HE1 PHE 36 HE1 PHE 36 9.240 -1.348 -21.694 233 HE2 PHE 36 HE2 PHE 36 11.732 -4.664 -20.709 234 HZ PHE 36 HZ PHE 36 10.345 -3.451 -22.343 235 H GLY 37 H GLY 37 10.344 -2.940 -14.257 236 HA2 GLY 37 1HA GLY 37 10.412 -0.380 -12.779 237 HA3 GLY 37 2HA GLY 37 9.758 -1.860 -12.093 238 H CYS 38 H CYS 38 11.370 -1.179 -10.393 239 HA CYS 38 HA CYS 38 13.813 -2.703 -10.816 240 HB2 CYS 38 1HB CYS 38 15.069 -0.743 -9.637 241 HB3 CYS 38 2HB CYS 38 14.777 -0.664 -11.371 242 H CYS 39 H CYS 39 14.638 -3.605 -8.959 243 HA CYS 39 HA CYS 39 13.076 -3.130 -6.504 244 HB2 CYS 39 1HB CYS 39 13.120 -5.454 -7.855 245 HB3 CYS 39 2HB CYS 39 14.535 -5.694 -6.835 246 H ARG 40 H ARG 40 14.292 -3.756 -4.480 247 HA ARG 40 HA ARG 40 16.616 -2.203 -4.252 248 HB2 ARG 40 1HB ARG 40 15.656 -4.389 -2.397 249 HB3 ARG 40 2HB ARG 40 16.797 -3.114 -1.991 250 HG2 ARG 40 1HG ARG 40 14.028 -2.467 -2.929 251 HG3 ARG 40 2HG ARG 40 14.358 -2.863 -1.241 252 HD2 ARG 40 1HD ARG 40 15.895 -0.747 -2.721 253 HD3 ARG 40 2HD ARG 40 14.378 -0.397 -1.894 254 HE ARG 40 HE ARG 40 15.663 -1.455 0.105 255 HH11 ARG 40 1HH1 ARG 40 16.968 0.620 -2.368 256 HH12 ARG 40 2HH1 ARG 40 18.197 1.286 -1.344 257 HH21 ARG 40 1HH2 ARG 40 17.277 -0.586 1.463 258 HH22 ARG 40 2HH2 ARG 40 18.372 0.599 0.834 259 H ILE 41 H ILE 41 18.576 -2.627 -5.001 260 HA ILE 41 HA ILE 41 19.410 -5.433 -5.287 261 HB ILE 41 HB ILE 41 20.494 -2.965 -6.650 262 HG12 ILE 41 1HG1 ILE 41 19.189 -5.263 -8.056 263 HG13 ILE 41 2HG1 ILE 41 18.177 -4.054 -7.272 264 HG21 ILE 41 1HG2 ILE 41 21.606 -5.603 -6.277 265 HG22 ILE 41 2HG2 ILE 41 21.376 -5.240 -7.986 266 HG23 ILE 41 3HG2 ILE 41 22.341 -4.162 -6.978 267 HD11 ILE 41 3HD1 ILE 41 19.873 -3.842 -9.680 268 HD12 ILE 41 1HD1 ILE 41 18.299 -3.129 -9.329 269 HD13 ILE 41 2HD1 ILE 41 19.762 -2.421 -8.642 270 H GLY 42 H GLY 42 20.721 -2.233 -4.409 271 HA2 GLY 42 1HA GLY 42 22.191 -1.661 -2.723 272 HA3 GLY 42 2HA GLY 42 22.096 -3.317 -2.141 Start of MODEL 8 1 H1 ASP 1 1H ASP 1 -0.060 0.315 -2.653 2 HA ASP 1 HA ASP 1 2.665 -0.188 -3.653 3 HB2 ASP 1 1HB ASP 1 0.257 1.023 -5.019 4 HB3 ASP 1 2HB ASP 1 1.881 1.059 -5.702 5 H ASP 2 H ASP 2 2.908 1.144 -1.472 6 HA ASP 2 HA ASP 2 3.089 3.985 -2.237 7 HB2 ASP 2 1HB ASP 2 1.925 2.736 0.103 8 HB3 ASP 2 2HB ASP 2 3.205 3.857 0.559 9 H THR 3 H THR 3 5.173 3.995 -2.976 10 HA THR 3 HA THR 3 7.275 2.944 -1.225 11 HB THR 3 HB THR 3 8.571 3.894 -3.455 12 HG1 THR 3 HG1 THR 3 7.326 3.407 -5.222 13 HG21 THR 3 3HG2 THR 3 9.171 1.725 -3.721 14 HG22 THR 3 1HG2 THR 3 7.507 1.145 -3.667 15 HG23 THR 3 2HG2 THR 3 8.354 1.536 -2.170 16 HA PRO 4 HA PRO 4 8.693 6.875 0.115 17 HB2 PRO 4 1HB PRO 4 11.389 6.557 0.082 18 HB3 PRO 4 2HB PRO 4 10.344 5.775 1.274 19 HG2 PRO 4 1HG PRO 4 11.533 4.648 -1.231 20 HG3 PRO 4 2HG PRO 4 11.401 3.909 0.375 21 HD2 PRO 4 1HD PRO 4 9.700 3.315 -1.647 22 HD3 PRO 4 2HD PRO 4 9.198 3.310 0.056 23 H SER 5 H SER 5 10.663 8.490 -0.451 24 HA SER 5 HA SER 5 10.117 9.351 -3.146 25 HB2 SER 5 1HB SER 5 11.834 10.519 -0.947 26 HB3 SER 5 2HB SER 5 11.610 11.280 -2.522 27 HG SER 5 HG SER 5 9.496 11.620 -2.069 28 H SER 6 H SER 6 11.205 7.112 -3.718 29 HA SER 6 HA SER 6 14.083 7.545 -4.147 30 HB2 SER 6 1HB SER 6 12.557 4.942 -4.373 31 HB3 SER 6 2HB SER 6 14.308 5.152 -4.386 32 HG SER 6 HG SER 6 14.249 5.058 -2.300 33 H ARG 7 H ARG 7 14.512 5.771 -6.210 34 HA ARG 7 HA ARG 7 12.773 5.992 -8.397 35 HB2 ARG 7 1HB ARG 7 13.222 8.361 -8.356 36 HB3 ARG 7 2HB ARG 7 14.956 8.076 -8.281 37 HG2 ARG 7 1HG ARG 7 14.848 7.058 -10.530 38 HG3 ARG 7 2HG ARG 7 13.134 7.473 -10.600 39 HD2 ARG 7 1HD ARG 7 14.530 9.809 -9.843 40 HD3 ARG 7 2HD ARG 7 15.406 9.097 -11.197 41 HE ARG 7 HE ARG 7 13.638 9.599 -12.575 42 HH11 ARG 7 1HH1 ARG 7 12.685 10.008 -9.251 43 HH12 ARG 7 2HH1 ARG 7 11.182 10.776 -9.640 44 HH21 ARG 7 1HH2 ARG 7 11.661 10.609 -13.100 45 HH22 ARG 7 2HH2 ARG 7 10.600 11.117 -11.830 46 H CYS 8 H CYS 8 13.569 4.958 -10.252 47 HA CYS 8 HA CYS 8 15.464 2.951 -9.830 48 HB2 CYS 8 1HB CYS 8 14.219 4.090 -12.322 49 HB3 CYS 8 2HB CYS 8 15.409 2.796 -12.405 50 H GLY 9 H GLY 9 17.608 3.005 -9.763 51 HA2 GLY 9 1HA GLY 9 19.784 3.586 -10.241 52 HA3 GLY 9 2HA GLY 9 19.180 4.490 -11.622 53 H SER 10 H SER 10 18.090 5.079 -8.351 54 HA SER 10 HA SER 10 19.525 7.654 -8.406 55 HB2 SER 10 1HB SER 10 16.931 7.611 -8.598 56 HB3 SER 10 2HB SER 10 16.971 7.234 -6.876 57 HG SER 10 HG SER 10 18.499 9.385 -7.800 58 H GLY 11 H GLY 11 19.041 4.727 -6.757 59 HA2 GLY 11 1HA GLY 11 20.846 5.581 -4.648 60 HA3 GLY 11 2HA GLY 11 19.240 5.112 -4.111 61 H GLY 12 H GLY 12 18.564 2.935 -4.364 62 HA2 GLY 12 1HA GLY 12 20.838 1.072 -4.636 63 HA3 GLY 12 2HA GLY 12 19.443 0.796 -3.603 64 H TRP 13 H TRP 13 18.035 2.068 -6.175 65 HA TRP 13 HA TRP 13 17.323 -0.530 -7.247 66 HB2 TRP 13 1HB TRP 13 16.263 2.116 -8.216 67 HB3 TRP 13 2HB TRP 13 15.483 0.537 -8.265 68 HD1 TRP 13 HD1 TRP 13 16.006 3.544 -6.019 69 HE1 TRP 13 HE1 TRP 13 14.562 3.280 -3.905 70 HE3 TRP 13 HE3 TRP 13 14.492 -1.295 -6.669 71 HZ2 TRP 13 HZ2 TRP 13 12.989 1.284 -2.675 72 HZ3 TRP 13 HZ3 TRP 13 13.019 -2.308 -4.978 73 HH2 TRP 13 HH2 TRP 13 12.285 -1.043 -3.023 74 H GLY 14 H GLY 14 17.876 -1.325 -9.203 75 HA2 GLY 14 1HA GLY 14 20.122 -0.345 -10.558 76 HA3 GLY 14 2HA GLY 14 19.004 -1.544 -11.189 77 HA PRO 15 HA PRO 15 18.784 2.290 -13.821 78 HB2 PRO 15 1HB PRO 15 19.106 0.991 -16.183 79 HB3 PRO 15 2HB PRO 15 20.465 1.565 -15.210 80 HG2 PRO 15 1HG PRO 15 19.299 -1.186 -15.400 81 HG3 PRO 15 2HG PRO 15 21.002 -0.692 -15.365 82 HD2 PRO 15 1HD PRO 15 19.718 -1.649 -13.182 83 HD3 PRO 15 2HD PRO 15 21.012 -0.439 -13.074 84 H CYS 16 H CYS 16 17.592 -0.894 -14.921 85 HA CYS 16 HA CYS 16 14.861 -0.241 -14.601 86 HB2 CYS 16 1HB CYS 16 16.128 0.549 -17.117 87 HB3 CYS 16 2HB CYS 16 14.732 -0.499 -17.348 88 H LEU 17 H LEU 17 13.865 -2.120 -14.324 89 HA LEU 17 HA LEU 17 14.835 -4.468 -15.811 90 HB2 LEU 17 1HB LEU 17 15.654 -4.724 -13.595 91 HB3 LEU 17 2HB LEU 17 14.103 -4.257 -12.902 92 HG LEU 17 HG LEU 17 13.424 -6.480 -14.333 93 HD11 LEU 17 1HD1 LEU 17 16.007 -7.226 -13.015 94 HD12 LEU 17 2HD1 LEU 17 15.957 -6.738 -14.708 95 HD13 LEU 17 3HD1 LEU 17 15.038 -8.143 -14.169 96 HD21 LEU 17 3HD2 LEU 17 14.404 -6.960 -11.590 97 HD22 LEU 17 1HD2 LEU 17 12.827 -7.289 -12.310 98 HD23 LEU 17 2HD2 LEU 17 13.234 -5.654 -11.787 99 HA PRO 18 HA PRO 18 10.629 -4.932 -17.041 100 HB2 PRO 18 1HB PRO 18 10.711 -7.540 -17.790 101 HB3 PRO 18 2HB PRO 18 11.435 -6.242 -18.747 102 HG2 PRO 18 1HG PRO 18 12.741 -8.147 -16.843 103 HG3 PRO 18 2HG PRO 18 13.294 -7.604 -18.438 104 HD2 PRO 18 1HD PRO 18 14.270 -6.578 -16.130 105 HD3 PRO 18 2HD PRO 18 14.118 -5.615 -17.614 106 H ILE 19 H ILE 19 8.902 -5.150 -15.777 107 HA ILE 19 HA ILE 19 8.885 -6.388 -13.283 108 HB ILE 19 HB ILE 19 6.469 -5.882 -15.022 109 HG12 ILE 19 1HG1 ILE 19 7.860 -4.044 -13.061 110 HG13 ILE 19 2HG1 ILE 19 7.863 -3.866 -14.812 111 HG21 ILE 19 1HG2 ILE 19 6.793 -6.958 -12.392 112 HG22 ILE 19 2HG2 ILE 19 5.946 -5.415 -12.297 113 HG23 ILE 19 3HG2 ILE 19 5.313 -6.706 -13.317 114 HD11 ILE 19 3HD1 ILE 19 5.338 -3.706 -14.644 115 HD12 ILE 19 1HD1 ILE 19 5.576 -3.516 -12.907 116 HD13 ILE 19 2HD1 ILE 19 6.272 -2.343 -14.026 117 H VAL 20 H VAL 20 8.523 -7.740 -16.415 118 HA VAL 20 HA VAL 20 6.946 -9.987 -15.900 119 HB VAL 20 HB VAL 20 7.744 -9.201 -18.159 120 HG11 VAL 20 1HG1 VAL 20 10.233 -9.398 -17.123 121 HG12 VAL 20 2HG1 VAL 20 10.119 -10.929 -17.993 122 HG13 VAL 20 3HG1 VAL 20 9.877 -9.406 -18.850 123 HG21 VAL 20 3HG2 VAL 20 8.100 -12.121 -17.488 124 HG22 VAL 20 1HG2 VAL 20 6.581 -11.316 -17.883 125 HG23 VAL 20 2HG2 VAL 20 7.843 -11.468 -19.106 126 H ASP 21 H ASP 21 10.166 -9.245 -14.936 127 HA ASP 21 HA ASP 21 10.553 -12.020 -14.022 128 HB2 ASP 21 1HB ASP 21 12.373 -10.058 -15.232 129 HB3 ASP 21 2HB ASP 21 13.023 -10.847 -13.797 130 H LEU 22 H LEU 22 9.668 -9.031 -12.975 131 HA LEU 22 HA LEU 22 11.068 -8.411 -10.717 132 HB2 LEU 22 1HB LEU 22 8.675 -7.640 -11.810 133 HB3 LEU 22 2HB LEU 22 8.180 -8.347 -10.274 134 HG LEU 22 HG LEU 22 9.978 -6.786 -9.252 135 HD11 LEU 22 1HD1 LEU 22 9.430 -4.851 -11.362 136 HD12 LEU 22 2HD1 LEU 22 10.445 -6.194 -11.887 137 HD13 LEU 22 3HD1 LEU 22 10.931 -5.207 -10.508 138 HD21 LEU 22 3HD2 LEU 22 7.381 -6.659 -9.235 139 HD22 LEU 22 1HD2 LEU 22 7.619 -5.327 -10.367 140 HD23 LEU 22 2HD2 LEU 22 8.327 -5.249 -8.753 141 H LEU 23 H LEU 23 10.709 -8.854 -8.448 142 HA LEU 23 HA LEU 23 9.456 -11.439 -7.867 143 HB2 LEU 23 1HB LEU 23 11.662 -12.138 -8.064 144 HB3 LEU 23 2HB LEU 23 12.297 -10.648 -7.370 145 HG LEU 23 HG LEU 23 10.686 -12.430 -5.616 146 HD11 LEU 23 1HD1 LEU 23 12.175 -14.104 -5.449 147 HD12 LEU 23 2HD1 LEU 23 13.559 -13.042 -5.708 148 HD13 LEU 23 3HD1 LEU 23 12.620 -13.617 -7.085 149 HD21 LEU 23 3HD2 LEU 23 11.362 -10.625 -4.408 150 HD22 LEU 23 1HD2 LEU 23 12.814 -10.377 -5.378 151 HD23 LEU 23 2HD2 LEU 23 12.773 -11.656 -4.165 152 H CYS 24 H CYS 24 10.148 -8.226 -7.021 153 HA CYS 24 HA CYS 24 9.212 -8.621 -4.265 154 HB2 CYS 24 1HB CYS 24 10.063 -5.922 -5.071 155 HB3 CYS 24 2HB CYS 24 10.481 -6.855 -3.638 156 H ILE 25 H ILE 25 7.850 -6.703 -3.448 157 HA ILE 25 HA ILE 25 5.819 -6.055 -5.484 158 HB ILE 25 HB ILE 25 5.331 -6.503 -2.538 159 HG12 ILE 25 1HG1 ILE 25 4.592 -8.269 -4.880 160 HG13 ILE 25 2HG1 ILE 25 5.933 -8.577 -3.783 161 HG21 ILE 25 1HG2 ILE 25 3.472 -5.957 -4.844 162 HG22 ILE 25 2HG2 ILE 25 2.941 -6.493 -3.251 163 HG23 ILE 25 3HG2 ILE 25 3.756 -4.940 -3.432 164 HD11 ILE 25 3HD1 ILE 25 3.767 -8.244 -2.104 165 HD12 ILE 25 1HD1 ILE 25 3.116 -9.143 -3.474 166 HD13 ILE 25 2HD1 ILE 25 4.503 -9.772 -2.585 167 H VAL 26 H VAL 26 7.594 -4.958 -2.657 168 HA VAL 26 HA VAL 26 6.405 -2.307 -2.801 169 HB VAL 26 HB VAL 26 8.672 -3.121 -0.997 170 HG11 VAL 26 1HG1 VAL 26 8.402 -0.838 -0.811 171 HG12 VAL 26 2HG1 VAL 26 6.658 -0.916 -1.072 172 HG13 VAL 26 3HG1 VAL 26 7.345 -1.428 0.471 173 HG21 VAL 26 3HG2 VAL 26 7.100 -4.786 -0.511 174 HG22 VAL 26 1HG2 VAL 26 6.790 -3.534 0.691 175 HG23 VAL 26 2HG2 VAL 26 5.737 -3.686 -0.716 176 H HIS 27 H HIS 27 8.388 -3.637 -4.794 177 HA HIS 27 HA HIS 27 10.808 -2.260 -4.774 178 HB2 HIS 27 1HB HIS 27 11.091 -2.958 -7.007 179 HB3 HIS 27 2HB HIS 27 10.076 -4.200 -6.279 180 HD1 HIS 27 HD1 HIS 27 10.295 -3.148 -9.386 181 HD2 HIS 27 HD2 HIS 27 7.182 -2.629 -6.684 182 HE1 HIS 27 HE1 HIS 27 8.246 -2.751 -10.789 183 H VAL 28 H VAL 28 11.166 -0.845 -7.032 184 HA VAL 28 HA VAL 28 9.307 1.430 -6.778 185 HB VAL 28 HB VAL 28 12.306 1.420 -6.932 186 HG11 VAL 28 1HG1 VAL 28 11.731 2.910 -8.686 187 HG12 VAL 28 2HG1 VAL 28 10.440 3.642 -7.732 188 HG13 VAL 28 3HG1 VAL 28 12.126 3.907 -7.287 189 HG21 VAL 28 3HG2 VAL 28 12.157 2.871 -5.027 190 HG22 VAL 28 1HG2 VAL 28 10.408 3.004 -5.208 191 HG23 VAL 28 2HG2 VAL 28 11.131 1.467 -4.735 192 H THR 29 H THR 29 8.698 2.478 -8.633 193 HA THR 29 HA THR 29 9.797 1.491 -11.175 194 HB THR 29 HB THR 29 7.306 1.815 -11.993 195 HG1 THR 29 HG1 THR 29 6.871 0.897 -9.339 196 HG21 THR 29 3HG2 THR 29 8.019 -0.292 -12.426 197 HG22 THR 29 1HG2 THR 29 6.991 -0.690 -11.050 198 HG23 THR 29 2HG2 THR 29 8.729 -0.495 -10.825 199 H VAL 30 H VAL 30 10.538 3.873 -9.947 200 HA VAL 30 HA VAL 30 9.117 5.928 -11.504 201 HB VAL 30 HB VAL 30 11.031 6.450 -9.236 202 HG11 VAL 30 1HG1 VAL 30 8.812 8.166 -10.331 203 HG12 VAL 30 2HG1 VAL 30 10.082 8.633 -9.198 204 HG13 VAL 30 3HG1 VAL 30 10.486 8.269 -10.876 205 HG21 VAL 30 3HG2 VAL 30 8.484 6.950 -8.282 206 HG22 VAL 30 1HG2 VAL 30 8.321 5.417 -9.139 207 HG23 VAL 30 2HG2 VAL 30 9.512 5.585 -7.849 208 H GLY 31 H GLY 31 10.201 7.214 -12.936 209 HA2 GLY 31 1HA GLY 31 12.009 8.103 -14.101 210 HA3 GLY 31 2HA GLY 31 13.093 7.172 -13.078 211 H CYS 32 H CYS 32 10.986 4.925 -13.970 212 HA CYS 32 HA CYS 32 12.640 4.093 -16.243 213 HB2 CYS 32 1HB CYS 32 11.096 2.667 -14.144 214 HB3 CYS 32 2HB CYS 32 11.178 1.903 -15.728 215 H SER 33 H SER 33 11.207 2.476 -17.701 216 HA SER 33 HA SER 33 9.218 4.212 -18.907 217 HB2 SER 33 1HB SER 33 10.797 1.851 -19.768 218 HB3 SER 33 2HB SER 33 9.214 2.054 -20.517 219 HG SER 33 HG SER 33 9.958 3.688 -21.609 220 H GLY 34 H GLY 34 7.067 3.639 -19.314 221 HA2 GLY 34 1HA GLY 34 5.684 2.372 -17.265 222 HA3 GLY 34 2HA GLY 34 5.028 2.683 -18.866 223 H GLY 35 H GLY 35 6.204 0.319 -16.691 224 HA2 GLY 35 1HA GLY 35 5.243 -1.938 -17.236 225 HA3 GLY 35 2HA GLY 35 6.007 -1.735 -18.805 226 H PHE 36 H PHE 36 8.124 -0.329 -16.823 227 HA PHE 36 HA PHE 36 9.475 -2.835 -16.086 228 HB2 PHE 36 1HB PHE 36 10.838 -0.438 -17.330 229 HB3 PHE 36 2HB PHE 36 11.602 -1.954 -16.866 230 HD1 PHE 36 HD1 PHE 36 9.168 -0.437 -19.197 231 HD2 PHE 36 HD2 PHE 36 11.634 -3.794 -18.323 232 HE1 PHE 36 HE1 PHE 36 8.733 -1.338 -21.445 233 HE2 PHE 36 HE2 PHE 36 11.204 -4.700 -20.570 234 HZ PHE 36 HZ PHE 36 9.751 -3.472 -22.134 235 H GLY 37 H GLY 37 10.245 -2.879 -14.066 236 HA2 GLY 37 1HA GLY 37 10.445 -0.304 -12.626 237 HA3 GLY 37 2HA GLY 37 9.811 -1.765 -11.883 238 H CYS 38 H CYS 38 11.539 -1.079 -10.297 239 HA CYS 38 HA CYS 38 13.966 -2.589 -10.907 240 HB2 CYS 38 1HB CYS 38 14.115 0.135 -9.613 241 HB3 CYS 38 2HB CYS 38 15.451 -0.873 -10.160 242 H CYS 39 H CYS 39 14.869 -3.618 -9.161 243 HA CYS 39 HA CYS 39 13.406 -3.351 -6.617 244 HB2 CYS 39 1HB CYS 39 14.159 -5.684 -8.213 245 HB3 CYS 39 2HB CYS 39 14.639 -5.821 -6.524 246 H ARG 40 H ARG 40 14.668 -3.920 -4.669 247 HA ARG 40 HA ARG 40 16.995 -2.387 -4.465 248 HB2 ARG 40 1HB ARG 40 16.100 -4.636 -2.652 249 HB3 ARG 40 2HB ARG 40 17.252 -3.372 -2.240 250 HG2 ARG 40 1HG ARG 40 14.455 -2.702 -3.072 251 HG3 ARG 40 2HG ARG 40 14.838 -3.149 -1.408 252 HD2 ARG 40 1HD ARG 40 16.322 -0.984 -2.870 253 HD3 ARG 40 2HD ARG 40 14.834 -0.664 -1.981 254 HE ARG 40 HE ARG 40 16.188 -1.781 -0.061 255 HH11 ARG 40 1HH1 ARG 40 17.407 0.370 -2.511 256 HH12 ARG 40 2HH1 ARG 40 18.670 1.005 -1.510 257 HH21 ARG 40 1HH2 ARG 40 17.847 -0.953 1.267 258 HH22 ARG 40 2HH2 ARG 40 18.920 0.251 0.639 259 H ILE 41 H ILE 41 18.788 -2.817 -5.591 260 HA ILE 41 HA ILE 41 19.662 -5.579 -5.949 261 HB ILE 41 HB ILE 41 20.999 -3.115 -7.051 262 HG12 ILE 41 1HG1 ILE 41 18.757 -4.756 -8.248 263 HG13 ILE 41 2HG1 ILE 41 18.683 -3.061 -7.779 264 HG21 ILE 41 1HG2 ILE 41 22.195 -4.518 -8.411 265 HG22 ILE 41 2HG2 ILE 41 22.019 -5.534 -6.981 266 HG23 ILE 41 3HG2 ILE 41 20.965 -5.781 -8.374 267 HD11 ILE 41 3HD1 ILE 41 20.368 -4.218 -9.986 268 HD12 ILE 41 1HD1 ILE 41 18.881 -3.291 -10.180 269 HD13 ILE 41 2HD1 ILE 41 20.320 -2.521 -9.511 270 H GLY 42 H GLY 42 21.027 -2.487 -4.807 271 HA2 GLY 42 1HA GLY 42 22.757 -4.044 -2.999 272 HA3 GLY 42 2HA GLY 42 23.443 -2.769 -3.995 Start of MODEL 9 1 H1 ASP 1 1H ASP 1 2.258 0.521 -2.497 2 HA ASP 1 HA ASP 1 2.883 2.085 -4.104 3 HB2 ASP 1 1HB ASP 1 1.188 3.835 -4.815 4 HB3 ASP 1 2HB ASP 1 0.794 2.170 -5.234 5 H ASP 2 H ASP 2 3.204 2.149 -1.265 6 HA ASP 2 HA ASP 2 3.293 5.061 -0.811 7 HB2 ASP 2 1HB ASP 2 3.083 2.903 1.300 8 HB3 ASP 2 2HB ASP 2 3.076 4.643 1.575 9 H THR 3 H THR 3 5.365 4.653 -2.078 10 HA THR 3 HA THR 3 7.516 3.630 -0.363 11 HB THR 3 HB THR 3 8.791 4.187 -2.672 12 HG1 THR 3 HG1 THR 3 7.447 3.831 -4.403 13 HG21 THR 3 3HG2 THR 3 7.231 1.654 -2.654 14 HG22 THR 3 1HG2 THR 3 8.307 1.971 -1.294 15 HG23 THR 3 2HG2 THR 3 8.951 1.919 -2.935 16 HA PRO 4 HA PRO 4 9.211 7.588 0.484 17 HB2 PRO 4 1HB PRO 4 11.880 7.117 0.330 18 HB3 PRO 4 2HB PRO 4 10.873 6.517 1.654 19 HG2 PRO 4 1HG PRO 4 11.845 5.082 -0.786 20 HG3 PRO 4 2HG PRO 4 11.776 4.514 0.892 21 HD2 PRO 4 1HD PRO 4 9.925 3.819 -0.958 22 HD3 PRO 4 2HD PRO 4 9.530 4.012 0.762 23 H SER 5 H SER 5 11.294 8.971 -0.366 24 HA SER 5 HA SER 5 10.590 9.643 -3.078 25 HB2 SER 5 1HB SER 5 12.699 10.847 -1.269 26 HB3 SER 5 2HB SER 5 12.119 11.537 -2.784 27 HG SER 5 HG SER 5 10.479 12.326 -1.749 28 H SER 6 H SER 6 11.460 7.243 -3.452 29 HA SER 6 HA SER 6 14.294 7.429 -4.229 30 HB2 SER 6 1HB SER 6 12.558 5.064 -3.526 31 HB3 SER 6 2HB SER 6 14.100 4.876 -4.360 32 HG SER 6 HG SER 6 13.723 6.153 -1.851 33 H ARG 7 H ARG 7 14.929 6.499 -6.264 34 HA ARG 7 HA ARG 7 12.827 5.993 -8.212 35 HB2 ARG 7 1HB ARG 7 12.999 8.337 -8.502 36 HB3 ARG 7 2HB ARG 7 14.752 8.302 -8.374 37 HG2 ARG 7 1HG ARG 7 15.033 7.551 -10.530 38 HG3 ARG 7 2HG ARG 7 13.417 6.844 -10.605 39 HD2 ARG 7 1HD ARG 7 12.952 8.676 -11.830 40 HD3 ARG 7 2HD ARG 7 12.796 9.446 -10.251 41 HE ARG 7 HE ARG 7 14.581 10.736 -10.809 42 HH11 ARG 7 1HH1 ARG 7 14.777 7.767 -12.617 43 HH12 ARG 7 2HH1 ARG 7 16.201 8.237 -13.484 44 HH21 ARG 7 1HH2 ARG 7 16.457 11.366 -11.944 45 HH22 ARG 7 2HH2 ARG 7 17.157 10.283 -13.100 46 H CYS 8 H CYS 8 13.531 4.870 -10.052 47 HA CYS 8 HA CYS 8 15.537 3.006 -9.707 48 HB2 CYS 8 1HB CYS 8 14.266 4.076 -12.227 49 HB3 CYS 8 2HB CYS 8 15.403 2.731 -12.233 50 H GLY 9 H GLY 9 17.679 3.130 -9.702 51 HA2 GLY 9 1HA GLY 9 19.817 3.741 -10.334 52 HA3 GLY 9 2HA GLY 9 19.115 4.728 -11.607 53 H SER 10 H SER 10 17.987 5.215 -8.388 54 HA SER 10 HA SER 10 19.560 7.703 -8.242 55 HB2 SER 10 1HB SER 10 17.703 8.881 -7.708 56 HB3 SER 10 2HB SER 10 16.834 7.517 -8.412 57 HG SER 10 HG SER 10 17.030 8.314 -5.795 58 H GLY 11 H GLY 11 18.573 4.811 -6.630 59 HA2 GLY 11 1HA GLY 11 20.342 5.507 -4.391 60 HA3 GLY 11 2HA GLY 11 18.706 4.972 -4.036 61 H GLY 12 H GLY 12 18.260 2.831 -3.988 62 HA2 GLY 12 1HA GLY 12 20.542 1.033 -4.429 63 HA3 GLY 12 2HA GLY 12 19.138 0.683 -3.431 64 H TRP 13 H TRP 13 17.743 2.002 -5.989 65 HA TRP 13 HA TRP 13 17.123 -0.578 -7.158 66 HB2 TRP 13 1HB TRP 13 16.005 2.067 -8.063 67 HB3 TRP 13 2HB TRP 13 15.271 0.470 -8.172 68 HD1 TRP 13 HD1 TRP 13 15.681 3.418 -5.825 69 HE1 TRP 13 HE1 TRP 13 14.207 3.054 -3.747 70 HE3 TRP 13 HE3 TRP 13 14.294 -1.432 -6.654 71 HZ2 TRP 13 HZ2 TRP 13 12.661 0.984 -2.609 72 HZ3 TRP 13 HZ3 TRP 13 12.817 -2.532 -5.023 73 HH2 TRP 13 HH2 TRP 13 12.019 -1.347 -3.043 74 H GLY 14 H GLY 14 17.753 -1.300 -9.116 75 HA2 GLY 14 1HA GLY 14 19.985 -0.199 -10.399 76 HA3 GLY 14 2HA GLY 14 18.926 -1.423 -11.083 77 HA PRO 15 HA PRO 15 18.608 2.472 -13.617 78 HB2 PRO 15 1HB PRO 15 19.036 1.254 -16.005 79 HB3 PRO 15 2HB PRO 15 20.348 1.856 -14.985 80 HG2 PRO 15 1HG PRO 15 19.304 -0.934 -15.276 81 HG3 PRO 15 2HG PRO 15 20.984 -0.371 -15.189 82 HD2 PRO 15 1HD PRO 15 19.693 -1.441 -13.062 83 HD3 PRO 15 2HD PRO 15 20.932 -0.182 -12.892 84 H CYS 16 H CYS 16 17.568 -0.737 -14.799 85 HA CYS 16 HA CYS 16 14.809 -0.205 -14.535 86 HB2 CYS 16 1HB CYS 16 16.091 0.713 -16.998 87 HB3 CYS 16 2HB CYS 16 14.752 -0.391 -17.291 88 H LEU 17 H LEU 17 13.884 -2.130 -14.337 89 HA LEU 17 HA LEU 17 14.990 -4.393 -15.860 90 HB2 LEU 17 1HB LEU 17 15.761 -4.684 -13.634 91 HB3 LEU 17 2HB LEU 17 14.180 -4.288 -12.965 92 HG LEU 17 HG LEU 17 13.616 -6.497 -14.471 93 HD11 LEU 17 1HD1 LEU 17 16.296 -6.990 -13.186 94 HD12 LEU 17 2HD1 LEU 17 16.034 -6.805 -14.920 95 HD13 LEU 17 3HD1 LEU 17 15.300 -8.157 -14.057 96 HD21 LEU 17 3HD2 LEU 17 14.529 -7.010 -11.712 97 HD22 LEU 17 1HD2 LEU 17 12.986 -7.371 -12.486 98 HD23 LEU 17 2HD2 LEU 17 13.323 -5.738 -11.913 99 HA PRO 18 HA PRO 18 10.842 -5.000 -17.217 100 HB2 PRO 18 1HB PRO 18 11.052 -7.584 -18.024 101 HB3 PRO 18 2HB PRO 18 11.748 -6.235 -18.930 102 HG2 PRO 18 1HG PRO 18 13.079 -8.131 -17.035 103 HG3 PRO 18 2HG PRO 18 13.653 -7.527 -18.600 104 HD2 PRO 18 1HD PRO 18 14.522 -6.518 -16.242 105 HD3 PRO 18 2HD PRO 18 14.371 -5.527 -17.707 106 H ILE 19 H ILE 19 9.089 -5.322 -16.011 107 HA ILE 19 HA ILE 19 9.058 -6.624 -13.547 108 HB ILE 19 HB ILE 19 6.664 -6.176 -15.330 109 HG12 ILE 19 1HG1 ILE 19 7.957 -4.313 -13.325 110 HG13 ILE 19 2HG1 ILE 19 7.962 -4.108 -15.073 111 HG21 ILE 19 1HG2 ILE 19 6.971 -7.298 -12.728 112 HG22 ILE 19 2HG2 ILE 19 6.099 -5.771 -12.593 113 HG23 ILE 19 3HG2 ILE 19 5.493 -7.041 -13.657 114 HD11 ILE 19 3HD1 ILE 19 6.045 -3.224 -13.184 115 HD12 ILE 19 1HD1 ILE 19 6.075 -2.974 -14.929 116 HD13 ILE 19 2HD1 ILE 19 5.272 -4.393 -14.254 117 H VAL 20 H VAL 20 8.842 -7.906 -16.719 118 HA VAL 20 HA VAL 20 7.335 -10.221 -16.314 119 HB VAL 20 HB VAL 20 8.177 -9.350 -18.525 120 HG11 VAL 20 1HG1 VAL 20 10.638 -9.496 -17.400 121 HG12 VAL 20 2HG1 VAL 20 10.606 -10.991 -18.337 122 HG13 VAL 20 3HG1 VAL 20 10.339 -9.442 -19.137 123 HG21 VAL 20 3HG2 VAL 20 7.515 -11.316 -19.327 124 HG22 VAL 20 1HG2 VAL 20 8.990 -12.099 -18.760 125 HG23 VAL 20 2HG2 VAL 20 7.598 -11.956 -17.686 126 H ASP 21 H ASP 21 10.510 -9.396 -15.250 127 HA ASP 21 HA ASP 21 10.950 -12.173 -14.366 128 HB2 ASP 21 1HB ASP 21 12.634 -10.577 -15.868 129 HB3 ASP 21 2HB ASP 21 13.275 -10.405 -14.237 130 H LEU 22 H LEU 22 9.946 -9.237 -13.295 131 HA LEU 22 HA LEU 22 11.278 -8.588 -11.007 132 HB2 LEU 22 1HB LEU 22 8.874 -7.907 -12.126 133 HB3 LEU 22 2HB LEU 22 8.380 -8.667 -10.615 134 HG LEU 22 HG LEU 22 10.090 -7.046 -9.529 135 HD11 LEU 22 1HD1 LEU 22 9.483 -5.086 -11.594 136 HD12 LEU 22 2HD1 LEU 22 10.553 -6.372 -12.151 137 HD13 LEU 22 3HD1 LEU 22 10.994 -5.407 -10.742 138 HD21 LEU 22 3HD2 LEU 22 7.498 -7.044 -9.533 139 HD22 LEU 22 1HD2 LEU 22 7.671 -5.694 -10.655 140 HD23 LEU 22 2HD2 LEU 22 8.361 -5.587 -9.036 141 H LEU 23 H LEU 23 10.856 -9.060 -8.740 142 HA LEU 23 HA LEU 23 9.757 -11.730 -8.227 143 HB2 LEU 23 1HB LEU 23 12.015 -12.269 -8.349 144 HB3 LEU 23 2HB LEU 23 12.515 -10.751 -7.606 145 HG LEU 23 HG LEU 23 10.962 -12.668 -5.947 146 HD11 LEU 23 1HD1 LEU 23 12.931 -13.944 -5.386 147 HD12 LEU 23 2HD1 LEU 23 13.899 -13.014 -6.529 148 HD13 LEU 23 3HD1 LEU 23 12.618 -14.073 -7.117 149 HD21 LEU 23 3HD2 LEU 23 11.468 -10.844 -4.686 150 HD22 LEU 23 1HD2 LEU 23 12.937 -10.484 -5.593 151 HD23 LEU 23 2HD2 LEU 23 12.933 -11.785 -4.402 152 H CYS 24 H CYS 24 10.186 -8.486 -7.334 153 HA CYS 24 HA CYS 24 9.158 -8.978 -4.624 154 HB2 CYS 24 1HB CYS 24 9.898 -6.222 -5.335 155 HB3 CYS 24 2HB CYS 24 10.312 -7.169 -3.909 156 H ILE 25 H ILE 25 7.657 -7.152 -3.846 157 HA ILE 25 HA ILE 25 5.697 -6.574 -5.972 158 HB ILE 25 HB ILE 25 5.120 -7.139 -3.061 159 HG12 ILE 25 1HG1 ILE 25 4.537 -8.795 -5.526 160 HG13 ILE 25 2HG1 ILE 25 5.790 -9.145 -4.340 161 HG21 ILE 25 1HG2 ILE 25 2.761 -7.098 -3.765 162 HG22 ILE 25 2HG2 ILE 25 3.557 -5.541 -3.989 163 HG23 ILE 25 3HG2 ILE 25 3.268 -6.592 -5.376 164 HD11 ILE 25 3HD1 ILE 25 2.922 -9.661 -4.254 165 HD12 ILE 25 1HD1 ILE 25 4.250 -10.458 -3.411 166 HD13 ILE 25 2HD1 ILE 25 3.572 -8.960 -2.773 167 H VAL 26 H VAL 26 7.215 -5.444 -3.000 168 HA VAL 26 HA VAL 26 5.930 -2.842 -3.217 169 HB VAL 26 HB VAL 26 6.345 -4.016 -1.002 170 HG11 VAL 26 1HG1 VAL 26 8.417 -4.361 -0.186 171 HG12 VAL 26 2HG1 VAL 26 8.877 -4.327 -1.889 172 HG13 VAL 26 3HG1 VAL 26 9.059 -2.880 -0.897 173 HG21 VAL 26 3HG2 VAL 26 7.621 -1.311 -1.005 174 HG22 VAL 26 1HG2 VAL 26 5.931 -1.494 -1.474 175 HG23 VAL 26 2HG2 VAL 26 6.460 -2.001 0.130 176 H HIS 27 H HIS 27 8.117 -4.047 -5.058 177 HA HIS 27 HA HIS 27 10.477 -2.591 -4.810 178 HB2 HIS 27 1HB HIS 27 10.952 -3.203 -7.044 179 HB3 HIS 27 2HB HIS 27 9.960 -4.513 -6.410 180 HD1 HIS 27 HD1 HIS 27 10.323 -3.401 -9.475 181 HD2 HIS 27 HD2 HIS 27 7.020 -3.070 -6.977 182 HE1 HIS 27 HE1 HIS 27 8.353 -3.077 -11.005 183 H VAL 28 H VAL 28 10.964 -1.108 -7.000 184 HA VAL 28 HA VAL 28 9.035 1.114 -6.807 185 HB VAL 28 HB VAL 28 12.039 1.168 -6.855 186 HG11 VAL 28 1HG1 VAL 28 10.146 3.372 -7.642 187 HG12 VAL 28 2HG1 VAL 28 11.815 3.658 -7.144 188 HG13 VAL 28 3HG1 VAL 28 11.475 2.696 -8.583 189 HG21 VAL 28 3HG2 VAL 28 10.814 1.121 -4.693 190 HG22 VAL 28 1HG2 VAL 28 11.790 2.573 -4.920 191 HG23 VAL 28 2HG2 VAL 28 10.042 2.642 -5.141 192 H THR 29 H THR 29 8.483 2.190 -8.664 193 HA THR 29 HA THR 29 9.698 1.271 -11.178 194 HB THR 29 HB THR 29 7.259 1.544 -12.110 195 HG1 THR 29 HG1 THR 29 5.674 1.176 -10.632 196 HG21 THR 29 3HG2 THR 29 6.928 -0.955 -11.084 197 HG22 THR 29 1HG2 THR 29 8.664 -0.727 -10.882 198 HG23 THR 29 2HG2 THR 29 7.935 -0.575 -12.481 199 H VAL 30 H VAL 30 10.340 3.642 -9.867 200 HA VAL 30 HA VAL 30 8.929 5.714 -11.405 201 HB VAL 30 HB VAL 30 10.842 6.174 -9.120 202 HG11 VAL 30 1HG1 VAL 30 10.412 8.061 -10.658 203 HG12 VAL 30 2HG1 VAL 30 8.691 7.934 -10.292 204 HG13 VAL 30 3HG1 VAL 30 9.834 8.366 -9.020 205 HG21 VAL 30 3HG2 VAL 30 9.296 5.340 -7.749 206 HG22 VAL 30 1HG2 VAL 30 8.267 6.695 -8.213 207 HG23 VAL 30 2HG2 VAL 30 8.135 5.155 -9.063 208 H GLY 31 H GLY 31 10.000 7.045 -12.806 209 HA2 GLY 31 1HA GLY 31 11.794 7.968 -13.965 210 HA3 GLY 31 2HA GLY 31 12.889 7.026 -12.964 211 H CYS 32 H CYS 32 10.812 4.770 -13.884 212 HA CYS 32 HA CYS 32 12.464 3.995 -16.176 213 HB2 CYS 32 1HB CYS 32 10.871 2.512 -14.139 214 HB3 CYS 32 2HB CYS 32 11.053 1.781 -15.730 215 H SER 33 H SER 33 11.056 2.422 -17.687 216 HA SER 33 HA SER 33 9.029 4.167 -18.826 217 HB2 SER 33 1HB SER 33 10.937 2.862 -20.084 218 HB3 SER 33 2HB SER 33 9.782 1.530 -20.031 219 HG SER 33 HG SER 33 9.834 3.566 -21.713 220 H GLY 34 H GLY 34 6.915 3.474 -19.370 221 HA2 GLY 34 1HA GLY 34 5.545 2.098 -17.372 222 HA3 GLY 34 2HA GLY 34 4.908 2.434 -18.975 223 H GLY 35 H GLY 35 6.207 0.058 -16.864 224 HA2 GLY 35 1HA GLY 35 5.327 -2.223 -17.511 225 HA3 GLY 35 2HA GLY 35 6.135 -1.933 -19.044 226 H PHE 36 H PHE 36 8.129 -0.503 -16.965 227 HA PHE 36 HA PHE 36 9.557 -2.972 -16.246 228 HB2 PHE 36 1HB PHE 36 10.856 -0.493 -17.393 229 HB3 PHE 36 2HB PHE 36 11.670 -1.986 -16.938 230 HD1 PHE 36 HD1 PHE 36 9.234 -0.525 -19.305 231 HD2 PHE 36 HD2 PHE 36 11.832 -3.783 -18.438 232 HE1 PHE 36 HE1 PHE 36 8.903 -1.390 -21.585 233 HE2 PHE 36 HE2 PHE 36 11.506 -4.653 -20.716 234 HZ PHE 36 HZ PHE 36 10.041 -3.456 -22.293 235 H GLY 37 H GLY 37 10.289 -3.032 -14.210 236 HA2 GLY 37 1HA GLY 37 10.331 -0.490 -12.702 237 HA3 GLY 37 2HA GLY 37 9.743 -1.996 -12.013 238 H CYS 38 H CYS 38 11.398 -1.267 -10.364 239 HA CYS 38 HA CYS 38 13.901 -2.663 -10.938 240 HB2 CYS 38 1HB CYS 38 13.940 0.017 -9.557 241 HB3 CYS 38 2HB CYS 38 15.303 -0.908 -10.178 242 H CYS 39 H CYS 39 14.811 -3.675 -9.182 243 HA CYS 39 HA CYS 39 13.270 -3.519 -6.674 244 HB2 CYS 39 1HB CYS 39 14.231 -5.799 -8.267 245 HB3 CYS 39 2HB CYS 39 14.551 -5.933 -6.541 246 H ARG 40 H ARG 40 14.506 -4.066 -4.704 247 HA ARG 40 HA ARG 40 16.747 -2.438 -4.398 248 HB2 ARG 40 1HB ARG 40 15.948 -4.793 -2.679 249 HB3 ARG 40 2HB ARG 40 17.005 -3.472 -2.201 250 HG2 ARG 40 1HG ARG 40 14.179 -2.984 -3.069 251 HG3 ARG 40 2HG ARG 40 14.583 -3.413 -1.405 252 HD2 ARG 40 1HD ARG 40 15.784 -1.089 -2.902 253 HD3 ARG 40 2HD ARG 40 14.400 -0.961 -1.817 254 HE ARG 40 HE ARG 40 15.818 -1.387 0.007 255 HH11 ARG 40 1HH1 ARG 40 17.524 -1.326 -3.027 256 HH12 ARG 40 2HH1 ARG 40 19.085 -1.150 -2.295 257 HH21 ARG 40 1HH2 ARG 40 17.867 -1.155 0.983 258 HH22 ARG 40 2HH2 ARG 40 19.279 -1.054 -0.014 259 H ILE 41 H ILE 41 18.567 -2.740 -5.529 260 HA ILE 41 HA ILE 41 19.592 -5.427 -5.983 261 HB ILE 41 HB ILE 41 20.642 -2.755 -6.923 262 HG12 ILE 41 1HG1 ILE 41 19.060 -4.906 -8.345 263 HG13 ILE 41 2HG1 ILE 41 18.482 -3.301 -7.914 264 HG21 ILE 41 1HG2 ILE 41 22.418 -4.413 -6.745 265 HG22 ILE 41 2HG2 ILE 41 21.465 -5.551 -7.697 266 HG23 ILE 41 3HG2 ILE 41 22.055 -4.062 -8.435 267 HD11 ILE 41 3HD1 ILE 41 18.989 -3.275 -10.222 268 HD12 ILE 41 1HD1 ILE 41 20.263 -2.368 -9.407 269 HD13 ILE 41 2HD1 ILE 41 20.565 -4.018 -9.953 270 H GLY 42 H GLY 42 20.786 -2.362 -4.599 271 HA2 GLY 42 1HA GLY 42 21.839 -3.142 -2.271 272 HA3 GLY 42 2HA GLY 42 23.045 -3.746 -3.398 Start of MODEL 10 1 H1 ASP 1 1H ASP 1 6.551 -2.231 4.412 2 HA ASP 1 HA ASP 1 4.802 -1.248 2.401 3 HB2 ASP 1 1HB ASP 1 4.731 -1.191 5.412 4 HB3 ASP 1 2HB ASP 1 3.476 -0.427 4.440 5 H ASP 2 H ASP 2 6.750 0.215 1.685 6 HA ASP 2 HA ASP 2 5.964 2.906 2.280 7 HB2 ASP 2 1HB ASP 2 8.294 3.619 2.957 8 HB3 ASP 2 2HB ASP 2 7.408 2.693 4.165 9 H THR 3 H THR 3 6.443 4.270 0.627 10 HA THR 3 HA THR 3 8.471 3.543 -1.328 11 HB THR 3 HB THR 3 5.780 4.184 -2.455 12 HG1 THR 3 HG1 THR 3 5.045 2.423 -1.509 13 HG21 THR 3 3HG2 THR 3 6.702 2.557 -4.206 14 HG22 THR 3 1HG2 THR 3 8.236 2.697 -3.348 15 HG23 THR 3 2HG2 THR 3 7.493 4.127 -4.064 16 HA PRO 4 HA PRO 4 8.309 8.067 -0.583 17 HB2 PRO 4 1HB PRO 4 10.993 8.408 -0.811 18 HB3 PRO 4 2HB PRO 4 10.212 7.910 0.695 19 HG2 PRO 4 1HG PRO 4 11.609 6.237 -1.357 20 HG3 PRO 4 2HG PRO 4 11.705 6.150 0.411 21 HD2 PRO 4 1HD PRO 4 10.184 4.453 -1.051 22 HD3 PRO 4 2HD PRO 4 9.732 4.972 0.586 23 H SER 5 H SER 5 9.774 9.765 -1.915 24 HA SER 5 HA SER 5 8.973 9.388 -4.658 25 HB2 SER 5 1HB SER 5 10.450 11.686 -3.350 26 HB3 SER 5 2HB SER 5 9.766 11.698 -4.975 27 HG SER 5 HG SER 5 8.481 11.784 -2.493 28 H SER 6 H SER 6 10.587 7.434 -4.550 29 HA SER 6 HA SER 6 13.293 8.301 -5.274 30 HB2 SER 6 1HB SER 6 12.292 5.489 -4.774 31 HB3 SER 6 2HB SER 6 13.972 6.001 -4.931 32 HG SER 6 HG SER 6 13.592 5.894 -2.774 33 H ARG 7 H ARG 7 14.092 6.185 -6.842 34 HA ARG 7 HA ARG 7 12.357 5.550 -8.966 35 HB2 ARG 7 1HB ARG 7 12.970 7.038 -10.677 36 HB3 ARG 7 2HB ARG 7 12.699 8.068 -9.277 37 HG2 ARG 7 1HG ARG 7 15.199 7.952 -8.883 38 HG3 ARG 7 2HG ARG 7 15.313 7.237 -10.493 39 HD2 ARG 7 1HD ARG 7 13.984 9.271 -11.290 40 HD3 ARG 7 2HD ARG 7 14.366 9.980 -9.722 41 HE ARG 7 HE ARG 7 16.467 10.399 -10.494 42 HH11 ARG 7 1HH1 ARG 7 15.060 7.873 -12.433 43 HH12 ARG 7 2HH1 ARG 7 16.391 7.801 -13.539 44 HH21 ARG 7 1HH2 ARG 7 18.226 10.314 -11.944 45 HH22 ARG 7 2HH2 ARG 7 18.192 9.189 -13.260 46 H CYS 8 H CYS 8 13.650 4.754 -10.930 47 HA CYS 8 HA CYS 8 15.568 2.885 -10.017 48 HB2 CYS 8 1HB CYS 8 14.929 3.724 -12.854 49 HB3 CYS 8 2HB CYS 8 15.805 2.271 -12.382 50 H GLY 9 H GLY 9 17.666 3.147 -9.656 51 HA2 GLY 9 1HA GLY 9 19.852 3.835 -10.014 52 HA3 GLY 9 2HA GLY 9 19.296 4.784 -11.384 53 H SER 10 H SER 10 18.075 4.993 -8.084 54 HA SER 10 HA SER 10 19.205 7.711 -7.924 55 HB2 SER 10 1HB SER 10 16.476 6.867 -7.799 56 HB3 SER 10 2HB SER 10 16.935 7.505 -6.220 57 HG SER 10 HG SER 10 17.570 8.893 -8.591 58 H GLY 11 H GLY 11 18.495 4.716 -6.268 59 HA2 GLY 11 1HA GLY 11 20.450 5.409 -4.224 60 HA3 GLY 11 2HA GLY 11 18.816 5.108 -3.652 61 H GLY 12 H GLY 12 17.922 3.003 -3.871 62 HA2 GLY 12 1HA GLY 12 20.005 0.928 -4.004 63 HA3 GLY 12 2HA GLY 12 18.478 0.785 -3.146 64 H TRP 13 H TRP 13 17.497 2.183 -5.842 65 HA TRP 13 HA TRP 13 16.691 -0.338 -7.029 66 HB2 TRP 13 1HB TRP 13 15.976 2.390 -8.082 67 HB3 TRP 13 2HB TRP 13 15.070 0.885 -8.218 68 HD1 TRP 13 HD1 TRP 13 15.491 3.907 -6.019 69 HE1 TRP 13 HE1 TRP 13 13.861 3.762 -4.032 70 HE3 TRP 13 HE3 TRP 13 13.928 -0.925 -6.604 71 HZ2 TRP 13 HZ2 TRP 13 12.141 1.851 -2.867 72 HZ3 TRP 13 HZ3 TRP 13 12.289 -1.835 -5.011 73 HH2 TRP 13 HH2 TRP 13 11.415 -0.475 -3.181 74 H GLY 14 H GLY 14 17.522 -1.220 -8.821 75 HA2 GLY 14 1HA GLY 14 19.927 -0.320 -9.941 76 HA3 GLY 14 2HA GLY 14 18.871 -1.533 -10.650 77 HA PRO 15 HA PRO 15 19.015 2.184 -13.447 78 HB2 PRO 15 1HB PRO 15 19.564 0.776 -15.702 79 HB3 PRO 15 2HB PRO 15 20.821 1.369 -14.610 80 HG2 PRO 15 1HG PRO 15 19.622 -1.367 -14.811 81 HG3 PRO 15 2HG PRO 15 21.322 -0.902 -14.610 82 HD2 PRO 15 1HD PRO 15 19.786 -1.738 -12.543 83 HD3 PRO 15 2HD PRO 15 21.087 -0.547 -12.345 84 H CYS 16 H CYS 16 17.843 -1.043 -14.441 85 HA CYS 16 HA CYS 16 15.125 -0.361 -14.460 86 HB2 CYS 16 1HB CYS 16 16.622 0.446 -16.827 87 HB3 CYS 16 2HB CYS 16 15.297 -0.646 -17.217 88 H LEU 17 H LEU 17 14.087 -2.231 -14.285 89 HA LEU 17 HA LEU 17 15.208 -4.598 -15.631 90 HB2 LEU 17 1HB LEU 17 15.739 -4.832 -13.325 91 HB3 LEU 17 2HB LEU 17 14.113 -4.356 -12.839 92 HG LEU 17 HG LEU 17 13.615 -6.590 -14.325 93 HD11 LEU 17 1HD1 LEU 17 16.183 -6.846 -14.362 94 HD12 LEU 17 2HD1 LEU 17 15.192 -8.249 -13.963 95 HD13 LEU 17 3HD1 LEU 17 15.998 -7.346 -12.681 96 HD21 LEU 17 3HD2 LEU 17 13.618 -5.797 -11.553 97 HD22 LEU 17 1HD2 LEU 17 13.991 -7.513 -11.721 98 HD23 LEU 17 2HD2 LEU 17 12.507 -6.861 -12.418 99 HA PRO 18 HA PRO 18 11.185 -5.046 -17.375 100 HB2 PRO 18 1HB PRO 18 11.340 -7.661 -18.085 101 HB3 PRO 18 2HB PRO 18 12.189 -6.378 -18.955 102 HG2 PRO 18 1HG PRO 18 13.231 -8.273 -16.885 103 HG3 PRO 18 2HG PRO 18 13.984 -7.749 -18.403 104 HD2 PRO 18 1HD PRO 18 14.671 -6.706 -16.000 105 HD3 PRO 18 2HD PRO 18 14.713 -5.757 -17.500 106 H ILE 19 H ILE 19 9.310 -5.243 -16.339 107 HA ILE 19 HA ILE 19 8.974 -6.463 -13.855 108 HB ILE 19 HB ILE 19 6.790 -5.950 -15.875 109 HG12 ILE 19 1HG1 ILE 19 7.980 -4.095 -13.801 110 HG13 ILE 19 2HG1 ILE 19 8.164 -3.943 -15.545 111 HG21 ILE 19 1HG2 ILE 19 6.785 -7.004 -13.226 112 HG22 ILE 19 2HG2 ILE 19 5.982 -5.435 -13.220 113 HG23 ILE 19 3HG2 ILE 19 5.421 -6.709 -14.303 114 HD11 ILE 19 3HD1 ILE 19 6.518 -2.394 -14.954 115 HD12 ILE 19 1HD1 ILE 19 5.634 -3.759 -15.636 116 HD13 ILE 19 2HD1 ILE 19 5.702 -3.537 -13.887 117 H VAL 20 H VAL 20 9.001 -7.832 -16.996 118 HA VAL 20 HA VAL 20 7.339 -10.053 -16.687 119 HB VAL 20 HB VAL 20 8.450 -9.299 -18.821 120 HG11 VAL 20 1HG1 VAL 20 10.655 -9.520 -19.202 121 HG12 VAL 20 2HG1 VAL 20 10.772 -9.535 -17.441 122 HG13 VAL 20 3HG1 VAL 20 10.755 -11.054 -18.338 123 HG21 VAL 20 3HG2 VAL 20 7.819 -11.264 -19.663 124 HG22 VAL 20 1HG2 VAL 20 9.129 -12.111 -18.840 125 HG23 VAL 20 2HG2 VAL 20 7.605 -11.817 -18.002 126 H ASP 21 H ASP 21 10.435 -9.361 -15.329 127 HA ASP 21 HA ASP 21 10.625 -12.125 -14.324 128 HB2 ASP 21 1HB ASP 21 12.532 -11.349 -15.745 129 HB3 ASP 21 2HB ASP 21 12.861 -10.101 -14.546 130 H LEU 22 H LEU 22 9.687 -9.105 -13.446 131 HA LEU 22 HA LEU 22 10.816 -8.451 -11.052 132 HB2 LEU 22 1HB LEU 22 8.579 -7.680 -12.432 133 HB3 LEU 22 2HB LEU 22 7.894 -8.359 -10.957 134 HG LEU 22 HG LEU 22 9.569 -6.797 -9.746 135 HD11 LEU 22 1HD1 LEU 22 9.310 -4.874 -11.911 136 HD12 LEU 22 2HD1 LEU 22 10.338 -6.244 -12.330 137 HD13 LEU 22 3HD1 LEU 22 10.704 -5.271 -10.906 138 HD21 LEU 22 3HD2 LEU 22 6.981 -6.648 -10.085 139 HD22 LEU 22 1HD2 LEU 22 7.399 -5.307 -11.151 140 HD23 LEU 22 2HD2 LEU 22 7.877 -5.266 -9.454 141 H LEU 23 H LEU 23 10.202 -8.847 -8.833 142 HA LEU 23 HA LEU 23 8.856 -11.406 -8.348 143 HB2 LEU 23 1HB LEU 23 11.056 -12.138 -8.275 144 HB3 LEU 23 2HB LEU 23 11.635 -10.637 -7.556 145 HG LEU 23 HG LEU 23 9.816 -12.349 -5.941 146 HD11 LEU 23 1HD1 LEU 23 11.232 -14.068 -6.649 147 HD12 LEU 23 2HD1 LEU 23 11.928 -13.530 -5.121 148 HD13 LEU 23 3HD1 LEU 23 12.653 -13.023 -6.647 149 HD21 LEU 23 3HD2 LEU 23 10.378 -10.519 -4.714 150 HD22 LEU 23 1HD2 LEU 23 11.929 -10.309 -5.528 151 HD23 LEU 23 2HD2 LEU 23 11.743 -11.555 -4.293 152 H CYS 24 H CYS 24 9.499 -8.184 -7.486 153 HA CYS 24 HA CYS 24 8.278 -8.507 -4.837 154 HB2 CYS 24 1HB CYS 24 9.202 -5.832 -5.683 155 HB3 CYS 24 2HB CYS 24 9.424 -6.670 -4.150 156 H ILE 25 H ILE 25 6.905 -6.445 -4.252 157 HA ILE 25 HA ILE 25 5.051 -5.925 -6.483 158 HB ILE 25 HB ILE 25 4.281 -6.332 -3.591 159 HG12 ILE 25 1HG1 ILE 25 3.725 -8.101 -5.981 160 HG13 ILE 25 2HG1 ILE 25 4.979 -8.413 -4.786 161 HG21 ILE 25 1HG2 ILE 25 2.587 -5.879 -6.044 162 HG22 ILE 25 2HG2 ILE 25 1.980 -6.234 -4.428 163 HG23 ILE 25 3HG2 ILE 25 2.849 -4.730 -4.733 164 HD11 ILE 25 3HD1 ILE 25 3.066 -8.336 -3.075 165 HD12 ILE 25 1HD1 ILE 25 2.010 -8.530 -4.474 166 HD13 ILE 25 2HD1 ILE 25 3.222 -9.758 -4.107 167 H VAL 26 H VAL 26 6.465 -4.756 -3.476 168 HA VAL 26 HA VAL 26 5.320 -2.106 -3.856 169 HB VAL 26 HB VAL 26 5.554 -3.214 -1.581 170 HG11 VAL 26 1HG1 VAL 26 8.086 -3.724 -2.285 171 HG12 VAL 26 2HG1 VAL 26 8.328 -2.206 -1.417 172 HG13 VAL 26 3HG1 VAL 26 7.566 -3.575 -0.606 173 HG21 VAL 26 3HG2 VAL 26 5.617 -0.573 -2.348 174 HG22 VAL 26 1HG2 VAL 26 5.358 -1.166 -0.708 175 HG23 VAL 26 2HG2 VAL 26 6.975 -0.695 -1.229 176 H HIS 27 H HIS 27 7.543 -3.482 -5.526 177 HA HIS 27 HA HIS 27 9.953 -2.123 -5.193 178 HB2 HIS 27 1HB HIS 27 10.527 -2.849 -7.369 179 HB3 HIS 27 2HB HIS 27 9.445 -4.088 -6.740 180 HD1 HIS 27 HD1 HIS 27 10.027 -3.131 -9.823 181 HD2 HIS 27 HD2 HIS 27 6.607 -2.549 -7.536 182 HE1 HIS 27 HE1 HIS 27 8.162 -2.794 -11.476 183 H VAL 28 H VAL 28 10.627 -0.763 -7.418 184 HA VAL 28 HA VAL 28 8.799 1.551 -7.422 185 HB VAL 28 HB VAL 28 11.792 1.450 -7.268 186 HG11 VAL 28 1HG1 VAL 28 10.111 3.683 -8.383 187 HG12 VAL 28 2HG1 VAL 28 11.743 3.924 -7.757 188 HG13 VAL 28 3HG1 VAL 28 11.476 2.866 -9.143 189 HG21 VAL 28 3HG2 VAL 28 11.452 3.090 -5.500 190 HG22 VAL 28 1HG2 VAL 28 9.719 3.104 -5.829 191 HG23 VAL 28 2HG2 VAL 28 10.486 1.645 -5.200 192 H THR 29 H THR 29 8.402 2.573 -9.350 193 HA THR 29 HA THR 29 9.703 1.496 -11.755 194 HB THR 29 HB THR 29 7.315 1.825 -12.818 195 HG1 THR 29 HG1 THR 29 5.664 1.637 -11.420 196 HG21 THR 29 3HG2 THR 29 6.853 -0.634 -11.792 197 HG22 THR 29 1HG2 THR 29 8.572 -0.460 -11.439 198 HG23 THR 29 2HG2 THR 29 7.993 -0.314 -13.099 199 H VAL 30 H VAL 30 10.392 3.887 -10.544 200 HA VAL 30 HA VAL 30 9.147 5.930 -12.259 201 HB VAL 30 HB VAL 30 10.881 6.485 -9.860 202 HG11 VAL 30 1HG1 VAL 30 9.490 8.624 -9.936 203 HG12 VAL 30 2HG1 VAL 30 10.701 8.402 -11.201 204 HG13 VAL 30 3HG1 VAL 30 8.997 8.104 -11.547 205 HG21 VAL 30 3HG2 VAL 30 9.253 5.645 -8.581 206 HG22 VAL 30 1HG2 VAL 30 8.289 7.029 -9.095 207 HG23 VAL 30 2HG2 VAL 30 8.148 5.492 -9.947 208 H GLY 31 H GLY 31 10.371 7.151 -13.630 209 HA2 GLY 31 1HA GLY 31 12.279 7.967 -14.678 210 HA3 GLY 31 2HA GLY 31 13.260 7.078 -13.523 211 H CYS 32 H CYS 32 11.216 4.806 -14.505 212 HA CYS 32 HA CYS 32 13.075 3.842 -16.551 213 HB2 CYS 32 1HB CYS 32 11.220 2.546 -14.616 214 HB3 CYS 32 2HB CYS 32 11.517 1.712 -16.138 215 H SER 33 H SER 33 11.779 2.219 -18.116 216 HA SER 33 HA SER 33 10.022 3.960 -19.624 217 HB2 SER 33 1HB SER 33 11.918 2.112 -20.357 218 HB3 SER 33 2HB SER 33 10.416 1.232 -20.639 219 HG SER 33 HG SER 33 11.494 3.323 -22.017 220 H GLY 34 H GLY 34 7.964 3.227 -20.484 221 HA2 GLY 34 1HA GLY 34 6.245 2.241 -18.483 222 HA3 GLY 34 2HA GLY 34 5.825 2.457 -20.175 223 H GLY 35 H GLY 35 6.885 0.221 -17.738 224 HA2 GLY 35 1HA GLY 35 5.840 -2.052 -18.207 225 HA3 GLY 35 2HA GLY 35 6.750 -1.971 -19.709 226 H PHE 36 H PHE 36 8.641 -0.469 -17.515 227 HA PHE 36 HA PHE 36 9.909 -2.958 -16.593 228 HB2 PHE 36 1HB PHE 36 11.392 -0.562 -17.694 229 HB3 PHE 36 2HB PHE 36 12.110 -2.063 -17.116 230 HD1 PHE 36 HD1 PHE 36 9.953 -0.615 -19.747 231 HD2 PHE 36 HD2 PHE 36 12.347 -3.918 -18.532 232 HE1 PHE 36 HE1 PHE 36 9.804 -1.552 -22.016 233 HE2 PHE 36 HE2 PHE 36 12.203 -4.860 -20.800 234 HZ PHE 36 HZ PHE 36 10.931 -3.677 -22.546 235 H GLY 37 H GLY 37 10.446 -2.974 -14.496 236 HA2 GLY 37 1HA GLY 37 10.440 -0.385 -13.069 237 HA3 GLY 37 2HA GLY 37 9.743 -1.849 -12.391 238 H CYS 38 H CYS 38 11.257 -1.137 -10.616 239 HA CYS 38 HA CYS 38 13.701 -2.692 -10.851 240 HB2 CYS 38 1HB CYS 38 14.924 -0.699 -9.689 241 HB3 CYS 38 2HB CYS 38 14.727 -0.694 -11.439 242 H CYS 39 H CYS 39 14.425 -3.513 -8.912 243 HA CYS 39 HA CYS 39 12.747 -2.910 -6.564 244 HB2 CYS 39 1HB CYS 39 12.825 -5.295 -7.820 245 HB3 CYS 39 2HB CYS 39 14.160 -5.513 -6.693 246 H ARG 40 H ARG 40 13.843 -3.460 -4.457 247 HA ARG 40 HA ARG 40 16.163 -1.935 -4.152 248 HB2 ARG 40 1HB ARG 40 15.136 -4.100 -2.307 249 HB3 ARG 40 2HB ARG 40 16.244 -2.806 -1.873 250 HG2 ARG 40 1HG ARG 40 13.525 -2.185 -2.953 251 HG3 ARG 40 2HG ARG 40 13.757 -2.585 -1.250 252 HD2 ARG 40 1HD ARG 40 15.363 -0.456 -2.633 253 HD3 ARG 40 2HD ARG 40 13.803 -0.118 -1.885 254 HE ARG 40 HE ARG 40 14.992 -1.184 0.172 255 HH11 ARG 40 1HH1 ARG 40 16.401 0.924 -2.214 256 HH12 ARG 40 2HH1 ARG 40 17.568 1.593 -1.123 257 HH21 ARG 40 1HH2 ARG 40 16.525 -0.310 1.618 258 HH22 ARG 40 2HH2 ARG 40 17.639 0.890 1.056 259 H ILE 41 H ILE 41 18.016 -2.431 -5.150 260 HA ILE 41 HA ILE 41 18.885 -5.201 -5.361 261 HB ILE 41 HB ILE 41 20.328 -2.746 -6.354 262 HG12 ILE 41 1HG1 ILE 41 18.101 -2.783 -7.336 263 HG13 ILE 41 2HG1 ILE 41 19.292 -3.238 -8.549 264 HG21 ILE 41 1HG2 ILE 41 21.880 -4.414 -6.504 265 HG22 ILE 41 2HG2 ILE 41 20.665 -5.679 -6.681 266 HG23 ILE 41 3HG2 ILE 41 21.056 -4.636 -8.048 267 HD11 ILE 41 3HD1 ILE 41 17.971 -4.965 -8.983 268 HD12 ILE 41 1HD1 ILE 41 18.538 -5.650 -7.460 269 HD13 ILE 41 2HD1 ILE 41 17.037 -4.724 -7.506 270 H GLY 42 H GLY 42 20.176 -2.130 -4.088 271 HA2 GLY 42 1HA GLY 42 22.050 -3.707 -2.444 272 HA3 GLY 42 2HA GLY 42 22.302 -2.037 -2.929 Start of MODEL 11 1 H1 ASP 1 1H ASP 1 2.098 -0.581 -2.663 2 HA ASP 1 HA ASP 1 3.875 1.252 -4.120 3 HB2 ASP 1 1HB ASP 1 0.868 1.288 -4.018 4 HB3 ASP 1 2HB ASP 1 1.788 2.758 -4.326 5 H ASP 2 H ASP 2 4.770 0.957 -1.809 6 HA ASP 2 HA ASP 2 3.808 3.231 -0.241 7 HB2 ASP 2 1HB ASP 2 4.426 0.555 1.024 8 HB3 ASP 2 2HB ASP 2 3.853 2.007 1.841 9 H THR 3 H THR 3 5.901 3.617 -1.720 10 HA THR 3 HA THR 3 8.230 3.238 0.050 11 HB THR 3 HB THR 3 9.417 3.738 -2.322 12 HG1 THR 3 HG1 THR 3 7.403 1.959 -3.137 13 HG21 THR 3 3HG2 THR 3 10.143 1.548 -2.254 14 HG22 THR 3 1HG2 THR 3 8.559 0.924 -1.796 15 HG23 THR 3 2HG2 THR 3 9.555 1.762 -0.605 16 HA PRO 4 HA PRO 4 8.789 7.588 0.225 17 HB2 PRO 4 1HB PRO 4 11.493 7.823 0.157 18 HB3 PRO 4 2HB PRO 4 10.618 7.199 1.561 19 HG2 PRO 4 1HG PRO 4 12.044 5.700 -0.603 20 HG3 PRO 4 2HG PRO 4 12.048 5.413 1.147 21 HD2 PRO 4 1HD PRO 4 10.531 3.963 -0.564 22 HD3 PRO 4 2HD PRO 4 10.020 4.318 1.098 23 H SER 5 H SER 5 10.464 9.323 -0.840 24 HA SER 5 HA SER 5 9.709 9.383 -3.608 25 HB2 SER 5 1HB SER 5 11.053 11.254 -1.712 26 HB3 SER 5 2HB SER 5 11.287 11.521 -3.440 27 HG SER 5 HG SER 5 8.740 11.206 -2.237 28 H SER 6 H SER 6 10.977 7.282 -3.922 29 HA SER 6 HA SER 6 13.827 7.780 -4.395 30 HB2 SER 6 1HB SER 6 12.343 5.149 -4.557 31 HB3 SER 6 2HB SER 6 14.090 5.385 -4.522 32 HG SER 6 HG SER 6 13.618 6.445 -2.398 33 H ARG 7 H ARG 7 14.333 5.925 -6.368 34 HA ARG 7 HA ARG 7 12.652 6.037 -8.610 35 HB2 ARG 7 1HB ARG 7 13.096 8.416 -8.638 36 HB3 ARG 7 2HB ARG 7 14.829 8.131 -8.539 37 HG2 ARG 7 1HG ARG 7 14.750 7.042 -10.747 38 HG3 ARG 7 2HG ARG 7 13.029 7.423 -10.846 39 HD2 ARG 7 1HD ARG 7 14.202 9.842 -10.205 40 HD3 ARG 7 2HD ARG 7 15.347 9.110 -11.329 41 HE ARG 7 HE ARG 7 13.806 9.349 -13.019 42 HH11 ARG 7 1HH1 ARG 7 12.283 9.948 -9.946 43 HH12 ARG 7 2HH1 ARG 7 10.820 10.562 -10.643 44 HH21 ARG 7 1HH2 ARG 7 11.886 10.156 -13.949 45 HH22 ARG 7 2HH2 ARG 7 10.595 10.679 -12.920 46 H CYS 8 H CYS 8 13.528 4.964 -10.419 47 HA CYS 8 HA CYS 8 15.416 2.979 -9.854 48 HB2 CYS 8 1HB CYS 8 14.263 4.013 -12.438 49 HB3 CYS 8 2HB CYS 8 15.433 2.698 -12.407 50 H GLY 9 H GLY 9 17.555 3.057 -9.721 51 HA2 GLY 9 1HA GLY 9 19.742 3.620 -10.193 52 HA3 GLY 9 2HA GLY 9 19.159 4.515 -11.588 53 H SER 10 H SER 10 17.987 5.136 -8.358 54 HA SER 10 HA SER 10 19.436 7.703 -8.392 55 HB2 SER 10 1HB SER 10 16.814 7.597 -8.624 56 HB3 SER 10 2HB SER 10 16.874 7.362 -6.877 57 HG SER 10 HG SER 10 16.771 9.534 -7.186 58 H GLY 11 H GLY 11 18.884 4.794 -6.728 59 HA2 GLY 11 1HA GLY 11 20.649 5.644 -4.588 60 HA3 GLY 11 2HA GLY 11 19.021 5.218 -4.080 61 H GLY 12 H GLY 12 18.327 3.060 -4.225 62 HA2 GLY 12 1HA GLY 12 20.559 1.144 -4.435 63 HA3 GLY 12 2HA GLY 12 19.125 0.914 -3.446 64 H TRP 13 H TRP 13 17.829 2.169 -6.084 65 HA TRP 13 HA TRP 13 17.100 -0.433 -7.136 66 HB2 TRP 13 1HB TRP 13 16.129 2.216 -8.189 67 HB3 TRP 13 2HB TRP 13 15.318 0.653 -8.233 68 HD1 TRP 13 HD1 TRP 13 15.802 3.705 -6.050 69 HE1 TRP 13 HE1 TRP 13 14.295 3.510 -3.972 70 HE3 TRP 13 HE3 TRP 13 14.277 -1.143 -6.606 71 HZ2 TRP 13 HZ2 TRP 13 12.675 1.559 -2.733 72 HZ3 TRP 13 HZ3 TRP 13 12.749 -2.098 -4.931 73 HH2 TRP 13 HH2 TRP 13 11.967 -0.774 -3.035 74 H GLY 14 H GLY 14 17.710 -1.277 -9.053 75 HA2 GLY 14 1HA GLY 14 20.018 -0.362 -10.348 76 HA3 GLY 14 2HA GLY 14 18.901 -1.556 -10.994 77 HA PRO 15 HA PRO 15 18.839 2.235 -13.701 78 HB2 PRO 15 1HB PRO 15 19.242 0.891 -16.025 79 HB3 PRO 15 2HB PRO 15 20.567 1.469 -15.007 80 HG2 PRO 15 1HG PRO 15 19.380 -1.273 -15.198 81 HG3 PRO 15 2HG PRO 15 21.086 -0.796 -15.102 82 HD2 PRO 15 1HD PRO 15 19.703 -1.701 -12.957 83 HD3 PRO 15 2HD PRO 15 21.005 -0.503 -12.817 84 H CYS 16 H CYS 16 17.638 -0.970 -14.729 85 HA CYS 16 HA CYS 16 14.914 -0.299 -14.542 86 HB2 CYS 16 1HB CYS 16 16.259 0.525 -16.994 87 HB3 CYS 16 2HB CYS 16 14.909 -0.562 -17.305 88 H LEU 17 H LEU 17 13.910 -2.178 -14.292 89 HA LEU 17 HA LEU 17 14.922 -4.526 -15.751 90 HB2 LEU 17 1HB LEU 17 15.659 -4.786 -13.507 91 HB3 LEU 17 2HB LEU 17 14.085 -4.315 -12.869 92 HG LEU 17 HG LEU 17 13.453 -6.535 -14.326 93 HD11 LEU 17 1HD1 LEU 17 15.932 -6.867 -14.683 94 HD12 LEU 17 2HD1 LEU 17 15.058 -8.231 -13.987 95 HD13 LEU 17 3HD1 LEU 17 16.044 -7.197 -12.954 96 HD21 LEU 17 3HD2 LEU 17 13.200 -5.705 -11.774 97 HD22 LEU 17 1HD2 LEU 17 14.323 -7.047 -11.559 98 HD23 LEU 17 2HD2 LEU 17 12.760 -7.320 -12.330 99 HA PRO 18 HA PRO 18 10.761 -4.971 -17.133 100 HB2 PRO 18 1HB PRO 18 10.865 -7.576 -17.894 101 HB3 PRO 18 2HB PRO 18 11.625 -6.274 -18.817 102 HG2 PRO 18 1HG PRO 18 12.860 -8.192 -16.878 103 HG3 PRO 18 2HG PRO 18 13.470 -7.641 -18.450 104 HD2 PRO 18 1HD PRO 18 14.365 -6.628 -16.103 105 HD3 PRO 18 2HD PRO 18 14.267 -5.658 -17.587 106 H ILE 19 H ILE 19 8.991 -5.191 -15.930 107 HA ILE 19 HA ILE 19 8.890 -6.457 -13.447 108 HB ILE 19 HB ILE 19 6.534 -5.895 -15.250 109 HG12 ILE 19 1HG1 ILE 19 7.900 -4.107 -13.227 110 HG13 ILE 19 2HG1 ILE 19 7.933 -3.897 -14.974 111 HG21 ILE 19 1HG2 ILE 19 6.759 -6.215 -12.261 112 HG22 ILE 19 2HG2 ILE 19 5.309 -5.685 -13.113 113 HG23 ILE 19 3HG2 ILE 19 5.948 -7.306 -13.384 114 HD11 ILE 19 3HD1 ILE 19 5.303 -3.888 -14.627 115 HD12 ILE 19 1HD1 ILE 19 5.784 -3.318 -13.030 116 HD13 ILE 19 2HD1 ILE 19 6.286 -2.433 -14.471 117 H VAL 20 H VAL 20 8.622 -7.764 -16.604 118 HA VAL 20 HA VAL 20 6.995 -9.993 -16.183 119 HB VAL 20 HB VAL 20 7.898 -9.196 -18.397 120 HG11 VAL 20 1HG1 VAL 20 10.339 -9.440 -17.256 121 HG12 VAL 20 2HG1 VAL 20 10.242 -10.956 -18.154 122 HG13 VAL 20 3HG1 VAL 20 10.057 -9.417 -18.997 123 HG21 VAL 20 3HG2 VAL 20 6.693 -11.254 -18.313 124 HG22 VAL 20 1HG2 VAL 20 8.115 -11.513 -19.323 125 HG23 VAL 20 2HG2 VAL 20 8.090 -12.113 -17.665 126 H ASP 21 H ASP 21 10.212 -9.327 -15.121 127 HA ASP 21 HA ASP 21 10.505 -12.112 -14.206 128 HB2 ASP 21 1HB ASP 21 12.276 -11.276 -15.757 129 HB3 ASP 21 2HB ASP 21 12.691 -10.052 -14.560 130 H LEU 22 H LEU 22 9.636 -9.116 -13.162 131 HA LEU 22 HA LEU 22 10.959 -8.550 -10.843 132 HB2 LEU 22 1HB LEU 22 8.632 -7.712 -12.023 133 HB3 LEU 22 2HB LEU 22 8.057 -8.425 -10.517 134 HG LEU 22 HG LEU 22 9.793 -6.923 -9.369 135 HD11 LEU 22 1HD1 LEU 22 9.575 -4.915 -11.431 136 HD12 LEU 22 2HD1 LEU 22 10.448 -6.335 -12.005 137 HD13 LEU 22 3HD1 LEU 22 10.998 -5.487 -10.560 138 HD21 LEU 22 3HD2 LEU 22 7.212 -6.662 -9.610 139 HD22 LEU 22 1HD2 LEU 22 7.637 -5.336 -10.693 140 HD23 LEU 22 2HD2 LEU 22 8.181 -5.313 -9.015 141 H LEU 23 H LEU 23 10.523 -9.018 -8.600 142 HA LEU 23 HA LEU 23 9.172 -11.570 -8.094 143 HB2 LEU 23 1HB LEU 23 11.352 -12.346 -8.220 144 HB3 LEU 23 2HB LEU 23 12.021 -10.877 -7.513 145 HG LEU 23 HG LEU 23 10.311 -12.607 -5.799 146 HD11 LEU 23 1HD1 LEU 23 11.802 -14.187 -6.948 147 HD12 LEU 23 2HD1 LEU 23 12.180 -14.038 -5.232 148 HD13 LEU 23 3HD1 LEU 23 13.192 -13.232 -6.431 149 HD21 LEU 23 3HD2 LEU 23 10.999 -10.819 -4.574 150 HD22 LEU 23 1HD2 LEU 23 12.482 -10.608 -5.505 151 HD23 LEU 23 2HD2 LEU 23 12.376 -11.885 -4.292 152 H CYS 24 H CYS 24 9.943 -8.391 -7.180 153 HA CYS 24 HA CYS 24 8.958 -8.784 -4.445 154 HB2 CYS 24 1HB CYS 24 9.814 -6.090 -5.324 155 HB3 CYS 24 2HB CYS 24 10.149 -6.946 -3.822 156 H ILE 25 H ILE 25 7.653 -6.729 -3.684 157 HA ILE 25 HA ILE 25 5.599 -6.154 -5.716 158 HB ILE 25 HB ILE 25 5.068 -6.595 -2.777 159 HG12 ILE 25 1HG1 ILE 25 4.510 -8.411 -5.133 160 HG13 ILE 25 2HG1 ILE 25 5.724 -8.689 -3.889 161 HG21 ILE 25 1HG2 ILE 25 3.082 -5.684 -3.156 162 HG22 ILE 25 2HG2 ILE 25 3.572 -5.323 -4.810 163 HG23 ILE 25 3HG2 ILE 25 2.772 -6.850 -4.441 164 HD11 ILE 25 3HD1 ILE 25 3.886 -8.753 -2.214 165 HD12 ILE 25 1HD1 ILE 25 2.738 -8.674 -3.551 166 HD13 ILE 25 2HD1 ILE 25 3.834 -10.049 -3.409 167 H VAL 26 H VAL 26 7.344 -5.062 -2.870 168 HA VAL 26 HA VAL 26 6.138 -2.417 -3.007 169 HB VAL 26 HB VAL 26 8.402 -3.210 -1.193 170 HG11 VAL 26 1HG1 VAL 26 8.071 -0.932 -0.996 171 HG12 VAL 26 2HG1 VAL 26 6.329 -1.057 -1.253 172 HG13 VAL 26 3HG1 VAL 26 7.033 -1.563 0.283 173 HG21 VAL 26 3HG2 VAL 26 6.770 -4.922 -0.855 174 HG22 VAL 26 1HG2 VAL 26 6.638 -3.784 0.486 175 HG23 VAL 26 2HG2 VAL 26 5.458 -3.743 -0.824 176 H HIS 27 H HIS 27 8.134 -3.716 -5.001 177 HA HIS 27 HA HIS 27 10.551 -2.333 -4.955 178 HB2 HIS 27 1HB HIS 27 10.836 -2.991 -7.206 179 HB3 HIS 27 2HB HIS 27 9.845 -4.256 -6.485 180 HD1 HIS 27 HD1 HIS 27 10.039 -3.097 -9.579 181 HD2 HIS 27 HD2 HIS 27 6.913 -2.799 -6.859 182 HE1 HIS 27 HE1 HIS 27 7.973 -2.736 -10.966 183 H VAL 28 H VAL 28 10.920 -0.887 -7.187 184 HA VAL 28 HA VAL 28 9.031 1.364 -6.951 185 HB VAL 28 HB VAL 28 12.028 1.392 -6.926 186 HG11 VAL 28 1HG1 VAL 28 11.851 3.880 -7.318 187 HG12 VAL 28 2HG1 VAL 28 11.584 2.859 -8.733 188 HG13 VAL 28 3HG1 VAL 28 10.212 3.586 -7.897 189 HG21 VAL 28 3HG2 VAL 28 11.737 2.867 -5.056 190 HG22 VAL 28 1HG2 VAL 28 10.004 2.989 -5.363 191 HG23 VAL 28 2HG2 VAL 28 10.698 1.461 -4.819 192 H THR 29 H THR 29 8.452 2.400 -8.812 193 HA THR 29 HA THR 29 9.692 1.486 -11.319 194 HB THR 29 HB THR 29 7.241 1.791 -12.246 195 HG1 THR 29 HG1 THR 29 5.771 1.899 -10.738 196 HG21 THR 29 3HG2 THR 29 8.601 -0.526 -10.999 197 HG22 THR 29 1HG2 THR 29 8.025 -0.304 -12.651 198 HG23 THR 29 2HG2 THR 29 6.888 -0.719 -11.369 199 H VAL 30 H VAL 30 10.411 3.835 -10.090 200 HA VAL 30 HA VAL 30 9.016 5.909 -11.650 201 HB VAL 30 HB VAL 30 10.838 6.420 -9.306 202 HG11 VAL 30 1HG1 VAL 30 8.602 8.155 -10.295 203 HG12 VAL 30 2HG1 VAL 30 10.013 8.599 -9.331 204 HG13 VAL 30 3HG1 VAL 30 10.199 8.210 -11.042 205 HG21 VAL 30 3HG2 VAL 30 8.271 6.876 -8.413 206 HG22 VAL 30 1HG2 VAL 30 8.123 5.373 -9.324 207 HG23 VAL 30 2HG2 VAL 30 9.281 5.490 -7.999 208 H GLY 31 H GLY 31 10.136 7.185 -13.050 209 HA2 GLY 31 1HA GLY 31 11.977 8.104 -14.140 210 HA3 GLY 31 2HA GLY 31 13.032 7.199 -13.064 211 H CYS 32 H CYS 32 11.008 4.908 -14.036 212 HA CYS 32 HA CYS 32 12.779 4.093 -16.224 213 HB2 CYS 32 1HB CYS 32 11.182 2.661 -14.178 214 HB3 CYS 32 2HB CYS 32 11.295 1.891 -15.757 215 H SER 33 H SER 33 11.431 2.437 -17.732 216 HA SER 33 HA SER 33 9.488 4.143 -19.050 217 HB2 SER 33 1HB SER 33 10.902 1.597 -19.822 218 HB3 SER 33 2HB SER 33 9.561 2.229 -20.777 219 HG SER 33 HG SER 33 12.085 3.393 -20.282 220 H GLY 34 H GLY 34 7.371 3.509 -19.598 221 HA2 GLY 34 1HA GLY 34 5.898 2.261 -17.590 222 HA3 GLY 34 2HA GLY 34 5.321 2.549 -19.225 223 H GLY 35 H GLY 35 6.285 0.215 -16.957 224 HA2 GLY 35 1HA GLY 35 5.426 -2.053 -17.517 225 HA3 GLY 35 2HA GLY 35 6.245 -1.861 -19.060 226 H PHE 36 H PHE 36 8.271 -0.416 -17.003 227 HA PHE 36 HA PHE 36 9.619 -2.904 -16.203 228 HB2 PHE 36 1HB PHE 36 11.018 -0.498 -17.385 229 HB3 PHE 36 2HB PHE 36 11.761 -2.022 -16.913 230 HD1 PHE 36 HD1 PHE 36 9.430 -0.459 -19.316 231 HD2 PHE 36 HD2 PHE 36 11.825 -3.853 -18.386 232 HE1 PHE 36 HE1 PHE 36 9.072 -1.330 -21.589 233 HE2 PHE 36 HE2 PHE 36 11.472 -4.729 -20.658 234 HZ PHE 36 HZ PHE 36 10.093 -3.468 -22.263 235 H GLY 37 H GLY 37 10.290 -2.933 -14.149 236 HA2 GLY 37 1HA GLY 37 10.423 -0.350 -12.718 237 HA3 GLY 37 2HA GLY 37 9.758 -1.807 -11.995 238 H CYS 38 H CYS 38 11.427 -1.072 -10.348 239 HA CYS 38 HA CYS 38 13.856 -2.625 -10.811 240 HB2 CYS 38 1HB CYS 38 14.027 0.135 -9.609 241 HB3 CYS 38 2HB CYS 38 15.348 -0.906 -10.129 242 H CYS 39 H CYS 39 14.705 -3.565 -8.981 243 HA CYS 39 HA CYS 39 13.150 -3.173 -6.508 244 HB2 CYS 39 1HB CYS 39 13.192 -5.456 -7.901 245 HB3 CYS 39 2HB CYS 39 14.651 -5.705 -6.947 246 H ARG 40 H ARG 40 14.383 -3.826 -4.505 247 HA ARG 40 HA ARG 40 16.716 -2.260 -4.288 248 HB2 ARG 40 1HB ARG 40 15.730 -4.401 -2.395 249 HB3 ARG 40 2HB ARG 40 16.866 -3.115 -2.010 250 HG2 ARG 40 1HG ARG 40 14.114 -2.476 -2.992 251 HG3 ARG 40 2HG ARG 40 14.407 -2.866 -1.296 252 HD2 ARG 40 1HD ARG 40 15.944 -0.746 -2.779 253 HD3 ARG 40 2HD ARG 40 14.447 -0.410 -1.909 254 HE ARG 40 HE ARG 40 15.784 -1.479 0.047 255 HH11 ARG 40 1HH1 ARG 40 17.033 0.606 -2.445 256 HH12 ARG 40 2HH1 ARG 40 18.290 1.261 -1.448 257 HH21 ARG 40 1HH2 ARG 40 17.434 -0.625 1.369 258 HH22 ARG 40 2HH2 ARG 40 18.518 0.560 0.720 259 H ILE 41 H ILE 41 18.523 -2.790 -5.351 260 HA ILE 41 HA ILE 41 19.359 -5.588 -5.486 261 HB ILE 41 HB ILE 41 20.508 -3.149 -6.848 262 HG12 ILE 41 1HG1 ILE 41 18.803 -5.409 -7.916 263 HG13 ILE 41 2HG1 ILE 41 18.271 -3.750 -7.661 264 HG21 ILE 41 1HG2 ILE 41 21.170 -6.071 -7.183 265 HG22 ILE 41 2HG2 ILE 41 21.781 -4.764 -8.195 266 HG23 ILE 41 3HG2 ILE 41 22.215 -4.833 -6.487 267 HD11 ILE 41 3HD1 ILE 41 18.685 -3.909 -9.949 268 HD12 ILE 41 1HD1 ILE 41 20.105 -3.092 -9.298 269 HD13 ILE 41 2HD1 ILE 41 20.184 -4.806 -9.707 270 H GLY 42 H GLY 42 20.748 -2.420 -4.609 271 HA2 GLY 42 1HA GLY 42 22.248 -3.701 -2.467 272 HA3 GLY 42 2HA GLY 42 23.207 -2.955 -3.737 Start of MODEL 12 1 H1 ASP 1 1H ASP 1 0.662 3.520 3.521 2 HA ASP 1 HA ASP 1 1.368 1.852 1.721 3 HB2 ASP 1 1HB ASP 1 -1.044 3.611 1.230 4 HB3 ASP 1 2HB ASP 1 -0.759 2.057 0.452 5 H ASP 2 H ASP 2 3.319 3.553 1.191 6 HA ASP 2 HA ASP 2 3.382 3.670 -1.633 7 HB2 ASP 2 1HB ASP 2 3.622 6.158 -1.846 8 HB3 ASP 2 2HB ASP 2 1.995 5.621 -1.439 9 H THR 3 H THR 3 5.450 3.807 -2.371 10 HA THR 3 HA THR 3 7.560 3.490 -0.510 11 HB THR 3 HB THR 3 8.879 4.039 -2.824 12 HG1 THR 3 HG1 THR 3 7.587 3.258 -4.528 13 HG21 THR 3 3HG2 THR 3 7.516 1.390 -2.432 14 HG22 THR 3 1HG2 THR 3 8.791 1.940 -1.346 15 HG23 THR 3 2HG2 THR 3 9.130 1.719 -3.063 16 HA PRO 4 HA PRO 4 9.013 7.569 0.207 17 HB2 PRO 4 1HB PRO 4 11.707 7.231 0.193 18 HB3 PRO 4 2HB PRO 4 10.672 6.644 1.500 19 HG2 PRO 4 1HG PRO 4 11.826 5.145 -0.819 20 HG3 PRO 4 2HG PRO 4 11.709 4.657 0.882 21 HD2 PRO 4 1HD PRO 4 9.982 3.776 -1.009 22 HD3 PRO 4 2HD PRO 4 9.499 4.032 0.680 23 H SER 5 H SER 5 11.069 9.010 -0.622 24 HA SER 5 HA SER 5 10.436 9.561 -3.369 25 HB2 SER 5 1HB SER 5 10.986 11.254 -1.483 26 HB3 SER 5 2HB SER 5 12.671 10.879 -1.845 27 HG SER 5 HG SER 5 10.890 11.582 -3.909 28 H SER 6 H SER 6 11.316 7.176 -3.696 29 HA SER 6 HA SER 6 14.171 7.342 -4.399 30 HB2 SER 6 1HB SER 6 12.408 5.031 -3.626 31 HB3 SER 6 2HB SER 6 13.895 4.763 -4.536 32 HG SER 6 HG SER 6 15.070 5.408 -2.849 33 H ARG 7 H ARG 7 14.854 6.369 -6.401 34 HA ARG 7 HA ARG 7 12.825 5.793 -8.393 35 HB2 ARG 7 1HB ARG 7 12.872 8.127 -8.726 36 HB3 ARG 7 2HB ARG 7 14.616 8.207 -8.515 37 HG2 ARG 7 1HG ARG 7 15.048 7.561 -10.652 38 HG3 ARG 7 2HG ARG 7 13.573 6.599 -10.777 39 HD2 ARG 7 1HD ARG 7 12.340 8.346 -11.494 40 HD3 ARG 7 2HD ARG 7 13.168 9.494 -10.444 41 HE ARG 7 HE ARG 7 13.780 8.907 -13.178 42 HH11 ARG 7 1HH1 ARG 7 15.109 9.982 -10.145 43 HH12 ARG 7 2HH1 ARG 7 16.418 10.849 -10.877 44 HH21 ARG 7 1HH2 ARG 7 15.499 10.045 -14.153 45 HH22 ARG 7 2HH2 ARG 7 16.638 10.886 -13.157 46 H CYS 8 H CYS 8 13.609 4.657 -10.178 47 HA CYS 8 HA CYS 8 15.698 2.909 -9.787 48 HB2 CYS 8 1HB CYS 8 14.615 3.908 -12.430 49 HB3 CYS 8 2HB CYS 8 15.588 2.457 -12.215 50 H GLY 9 H GLY 9 17.831 3.136 -9.726 51 HA2 GLY 9 1HA GLY 9 19.953 3.838 -10.319 52 HA3 GLY 9 2HA GLY 9 19.235 4.794 -11.607 53 H SER 10 H SER 10 18.045 5.208 -8.392 54 HA SER 10 HA SER 10 19.498 7.767 -8.214 55 HB2 SER 10 1HB SER 10 16.988 7.885 -8.639 56 HB3 SER 10 2HB SER 10 16.779 7.232 -7.014 57 HG SER 10 HG SER 10 16.720 9.458 -6.887 58 H GLY 11 H GLY 11 18.535 4.850 -6.611 59 HA2 GLY 11 1HA GLY 11 20.239 5.597 -4.338 60 HA3 GLY 11 2HA GLY 11 18.608 5.025 -4.018 61 H GLY 12 H GLY 12 18.200 2.871 -3.998 62 HA2 GLY 12 1HA GLY 12 20.535 1.125 -4.377 63 HA3 GLY 12 2HA GLY 12 19.128 0.751 -3.393 64 H TRP 13 H TRP 13 17.736 2.020 -5.978 65 HA TRP 13 HA TRP 13 17.180 -0.581 -7.131 66 HB2 TRP 13 1HB TRP 13 16.032 2.036 -8.079 67 HB3 TRP 13 2HB TRP 13 15.327 0.426 -8.186 68 HD1 TRP 13 HD1 TRP 13 15.684 3.387 -5.835 69 HE1 TRP 13 HE1 TRP 13 14.169 3.019 -3.786 70 HE3 TRP 13 HE3 TRP 13 14.311 -1.461 -6.700 71 HZ2 TRP 13 HZ2 TRP 13 12.601 0.947 -2.683 72 HZ3 TRP 13 HZ3 TRP 13 12.802 -2.563 -5.100 73 HH2 TRP 13 HH2 TRP 13 11.966 -1.383 -3.133 74 H GLY 14 H GLY 14 17.826 -1.305 -9.088 75 HA2 GLY 14 1HA GLY 14 20.071 -0.202 -10.344 76 HA3 GLY 14 2HA GLY 14 19.022 -1.427 -11.042 77 HA PRO 15 HA PRO 15 18.735 2.464 -13.584 78 HB2 PRO 15 1HB PRO 15 19.182 1.239 -15.965 79 HB3 PRO 15 2HB PRO 15 20.486 1.839 -14.934 80 HG2 PRO 15 1HG PRO 15 19.435 -0.948 -15.230 81 HG3 PRO 15 2HG PRO 15 21.116 -0.391 -15.127 82 HD2 PRO 15 1HD PRO 15 19.801 -1.452 -13.011 83 HD3 PRO 15 2HD PRO 15 21.044 -0.196 -12.832 84 H CYS 16 H CYS 16 17.701 -0.737 -14.792 85 HA CYS 16 HA CYS 16 14.941 -0.211 -14.540 86 HB2 CYS 16 1HB CYS 16 16.238 0.733 -16.987 87 HB3 CYS 16 2HB CYS 16 14.896 -0.363 -17.297 88 H LEU 17 H LEU 17 13.999 -2.135 -14.395 89 HA LEU 17 HA LEU 17 15.137 -4.382 -15.919 90 HB2 LEU 17 1HB LEU 17 15.853 -4.690 -13.674 91 HB3 LEU 17 2HB LEU 17 14.250 -4.316 -13.046 92 HG LEU 17 HG LEU 17 13.742 -6.506 -14.593 93 HD11 LEU 17 1HD1 LEU 17 15.432 -8.160 -14.161 94 HD12 LEU 17 2HD1 LEU 17 16.401 -6.993 -13.261 95 HD13 LEU 17 3HD1 LEU 17 16.168 -6.793 -14.998 96 HD21 LEU 17 3HD2 LEU 17 12.794 -6.906 -12.623 97 HD22 LEU 17 1HD2 LEU 17 13.923 -5.834 -11.794 98 HD23 LEU 17 2HD2 LEU 17 14.352 -7.522 -12.070 99 HA PRO 18 HA PRO 18 11.020 -4.965 -17.381 100 HB2 PRO 18 1HB PRO 18 11.247 -7.538 -18.218 101 HB3 PRO 18 2HB PRO 18 11.965 -6.177 -19.089 102 HG2 PRO 18 1HG PRO 18 13.250 -8.100 -17.189 103 HG3 PRO 18 2HG PRO 18 13.860 -7.476 -18.732 104 HD2 PRO 18 1HD PRO 18 14.676 -6.500 -16.342 105 HD3 PRO 18 2HD PRO 18 14.559 -5.489 -17.796 106 H ILE 19 H ILE 19 9.237 -5.306 -16.227 107 HA ILE 19 HA ILE 19 9.149 -6.640 -13.779 108 HB ILE 19 HB ILE 19 6.795 -6.167 -15.608 109 HG12 ILE 19 1HG1 ILE 19 8.056 -4.324 -13.565 110 HG13 ILE 19 2HG1 ILE 19 8.084 -4.102 -15.311 111 HG21 ILE 19 1HG2 ILE 19 7.044 -7.320 -13.017 112 HG22 ILE 19 2HG2 ILE 19 6.185 -5.787 -12.873 113 HG23 ILE 19 3HG2 ILE 19 5.584 -7.035 -13.964 114 HD11 ILE 19 3HD1 ILE 19 5.539 -4.069 -15.168 115 HD12 ILE 19 1HD1 ILE 19 5.767 -3.865 -13.431 116 HD13 ILE 19 2HD1 ILE 19 6.415 -2.667 -14.553 117 H VAL 20 H VAL 20 9.013 -7.878 -16.971 118 HA VAL 20 HA VAL 20 7.489 -10.194 -16.637 119 HB VAL 20 HB VAL 20 8.387 -9.295 -18.814 120 HG11 VAL 20 1HG1 VAL 20 10.564 -9.375 -19.370 121 HG12 VAL 20 2HG1 VAL 20 10.822 -9.468 -17.627 122 HG13 VAL 20 3HG1 VAL 20 10.808 -10.941 -18.597 123 HG21 VAL 20 3HG2 VAL 20 9.111 -12.182 -18.627 124 HG22 VAL 20 1HG2 VAL 20 7.456 -11.685 -18.276 125 HG23 VAL 20 2HG2 VAL 20 8.166 -11.335 -19.851 126 H ASP 21 H ASP 21 10.637 -9.391 -15.481 127 HA ASP 21 HA ASP 21 11.050 -12.181 -14.627 128 HB2 ASP 21 1HB ASP 21 12.778 -10.540 -16.049 129 HB3 ASP 21 2HB ASP 21 13.381 -10.444 -14.396 130 H LEU 22 H LEU 22 10.025 -9.259 -13.540 131 HA LEU 22 HA LEU 22 11.297 -8.646 -11.209 132 HB2 LEU 22 1HB LEU 22 8.923 -7.946 -12.379 133 HB3 LEU 22 2HB LEU 22 8.391 -8.726 -10.891 134 HG LEU 22 HG LEU 22 10.090 -7.119 -9.751 135 HD11 LEU 22 1HD1 LEU 22 9.481 -5.145 -11.812 136 HD12 LEU 22 2HD1 LEU 22 10.596 -6.403 -12.343 137 HD13 LEU 22 3HD1 LEU 22 10.974 -5.433 -10.919 138 HD21 LEU 22 3HD2 LEU 22 7.500 -7.136 -9.773 139 HD22 LEU 22 1HD2 LEU 22 7.667 -5.773 -10.880 140 HD23 LEU 22 2HD2 LEU 22 8.346 -5.677 -9.254 141 H LEU 23 H LEU 23 10.831 -9.156 -8.963 142 HA LEU 23 HA LEU 23 9.704 -11.825 -8.514 143 HB2 LEU 23 1HB LEU 23 11.954 -12.390 -8.594 144 HB3 LEU 23 2HB LEU 23 12.460 -10.879 -7.839 145 HG LEU 23 HG LEU 23 10.866 -12.793 -6.211 146 HD11 LEU 23 1HD1 LEU 23 13.781 -13.162 -6.880 147 HD12 LEU 23 2HD1 LEU 23 12.463 -14.269 -7.260 148 HD13 LEU 23 3HD1 LEU 23 12.924 -13.991 -5.581 149 HD21 LEU 23 3HD2 LEU 23 11.356 -10.982 -4.928 150 HD22 LEU 23 1HD2 LEU 23 12.834 -10.611 -5.816 151 HD23 LEU 23 2HD2 LEU 23 12.821 -11.920 -4.633 152 H CYS 24 H CYS 24 10.136 -8.598 -7.563 153 HA CYS 24 HA CYS 24 9.082 -9.119 -4.871 154 HB2 CYS 24 1HB CYS 24 9.786 -6.350 -5.572 155 HB3 CYS 24 2HB CYS 24 10.197 -7.290 -4.142 156 H ILE 25 H ILE 25 7.629 -7.159 -4.129 157 HA ILE 25 HA ILE 25 5.645 -6.654 -6.249 158 HB ILE 25 HB ILE 25 4.933 -7.072 -3.352 159 HG12 ILE 25 1HG1 ILE 25 5.958 -9.128 -4.304 160 HG13 ILE 25 2HG1 ILE 25 4.255 -9.333 -3.907 161 HG21 ILE 25 1HG2 ILE 25 2.715 -7.663 -4.674 162 HG22 ILE 25 2HG2 ILE 25 3.131 -6.004 -4.248 163 HG23 ILE 25 3HG2 ILE 25 3.446 -6.601 -5.877 164 HD11 ILE 25 3HD1 ILE 25 4.614 -8.462 -6.636 165 HD12 ILE 25 1HD1 ILE 25 5.490 -9.954 -6.299 166 HD13 ILE 25 2HD1 ILE 25 3.754 -9.863 -5.998 167 H VAL 26 H VAL 26 7.105 -5.535 -3.239 168 HA VAL 26 HA VAL 26 5.819 -2.934 -3.476 169 HB VAL 26 HB VAL 26 6.176 -4.120 -1.257 170 HG11 VAL 26 1HG1 VAL 26 8.328 -3.954 -0.201 171 HG12 VAL 26 2HG1 VAL 26 8.516 -4.800 -1.738 172 HG13 VAL 26 3HG1 VAL 26 8.995 -3.108 -1.596 173 HG21 VAL 26 3HG2 VAL 26 7.377 -1.695 -0.520 174 HG22 VAL 26 1HG2 VAL 26 6.433 -1.350 -1.969 175 HG23 VAL 26 2HG2 VAL 26 5.655 -2.073 -0.561 176 H HIS 27 H HIS 27 8.061 -4.129 -5.260 177 HA HIS 27 HA HIS 27 10.406 -2.660 -4.938 178 HB2 HIS 27 1HB HIS 27 10.956 -3.275 -7.153 179 HB3 HIS 27 2HB HIS 27 9.949 -4.588 -6.550 180 HD1 HIS 27 HD1 HIS 27 10.406 -3.493 -9.604 181 HD2 HIS 27 HD2 HIS 27 7.026 -3.141 -7.215 182 HE1 HIS 27 HE1 HIS 27 8.487 -3.174 -11.197 183 H VAL 28 H VAL 28 10.943 -1.184 -7.129 184 HA VAL 28 HA VAL 28 9.016 1.042 -6.964 185 HB VAL 28 HB VAL 28 12.021 1.080 -7.033 186 HG11 VAL 28 1HG1 VAL 28 10.131 3.294 -7.802 187 HG12 VAL 28 2HG1 VAL 28 11.809 3.568 -7.329 188 HG13 VAL 28 3HG1 VAL 28 11.441 2.606 -8.761 189 HG21 VAL 28 3HG2 VAL 28 11.789 2.501 -5.100 190 HG22 VAL 28 1HG2 VAL 28 10.037 2.552 -5.304 191 HG23 VAL 28 2HG2 VAL 28 10.829 1.041 -4.858 192 H THR 29 H THR 29 8.496 2.139 -8.829 193 HA THR 29 HA THR 29 9.691 1.193 -11.340 194 HB THR 29 HB THR 29 7.238 1.462 -12.259 195 HG1 THR 29 HG1 THR 29 5.819 0.534 -10.533 196 HG21 THR 29 3HG2 THR 29 6.940 -1.050 -11.269 197 HG22 THR 29 1HG2 THR 29 8.674 -0.809 -11.062 198 HG23 THR 29 2HG2 THR 29 7.945 -0.642 -12.659 199 H VAL 30 H VAL 30 10.293 3.583 -10.009 200 HA VAL 30 HA VAL 30 8.890 5.631 -11.585 201 HB VAL 30 HB VAL 30 10.731 6.088 -9.238 202 HG11 VAL 30 1HG1 VAL 30 10.644 8.149 -10.159 203 HG12 VAL 30 2HG1 VAL 30 9.151 7.812 -11.037 204 HG13 VAL 30 3HG1 VAL 30 9.094 8.217 -9.322 205 HG21 VAL 30 3HG2 VAL 30 8.038 5.088 -9.281 206 HG22 VAL 30 1HG2 VAL 30 9.105 5.367 -7.905 207 HG23 VAL 30 2HG2 VAL 30 8.087 6.674 -8.509 208 H GLY 31 H GLY 31 9.983 6.994 -12.948 209 HA2 GLY 31 1HA GLY 31 11.791 7.927 -14.074 210 HA3 GLY 31 2HA GLY 31 12.873 6.992 -13.053 211 H CYS 32 H CYS 32 10.841 4.716 -14.012 212 HA CYS 32 HA CYS 32 12.542 3.961 -16.274 213 HB2 CYS 32 1HB CYS 32 10.916 2.459 -14.276 214 HB3 CYS 32 2HB CYS 32 11.152 1.732 -15.862 215 H SER 33 H SER 33 11.182 2.380 -17.818 216 HA SER 33 HA SER 33 9.210 4.114 -19.040 217 HB2 SER 33 1HB SER 33 10.779 3.127 -20.550 218 HB3 SER 33 2HB SER 33 10.484 1.513 -19.904 219 HG SER 33 HG SER 33 9.392 2.269 -21.974 220 H GLY 34 H GLY 34 7.119 3.316 -19.764 221 HA2 GLY 34 1HA GLY 34 5.639 2.138 -17.676 222 HA3 GLY 34 2HA GLY 34 5.055 2.422 -19.309 223 H GLY 35 H GLY 35 6.451 0.117 -17.115 224 HA2 GLY 35 1HA GLY 35 5.464 -2.178 -17.629 225 HA3 GLY 35 2HA GLY 35 6.245 -1.969 -19.189 226 H PHE 36 H PHE 36 8.247 -0.492 -17.092 227 HA PHE 36 HA PHE 36 9.691 -2.958 -16.396 228 HB2 PHE 36 1HB PHE 36 10.967 -0.452 -17.512 229 HB3 PHE 36 2HB PHE 36 11.802 -1.933 -17.052 230 HD1 PHE 36 HD1 PHE 36 9.350 -0.519 -19.435 231 HD2 PHE 36 HD2 PHE 36 12.026 -3.712 -18.560 232 HE1 PHE 36 HE1 PHE 36 9.059 -1.385 -21.720 233 HE2 PHE 36 HE2 PHE 36 11.739 -4.582 -20.843 234 HZ PHE 36 HZ PHE 36 10.255 -3.419 -22.427 235 H GLY 37 H GLY 37 10.392 -3.042 -14.352 236 HA2 GLY 37 1HA GLY 37 10.419 -0.518 -12.813 237 HA3 GLY 37 2HA GLY 37 9.822 -2.031 -12.149 238 H CYS 38 H CYS 38 11.451 -1.348 -10.468 239 HA CYS 38 HA CYS 38 13.949 -2.751 -11.016 240 HB2 CYS 38 1HB CYS 38 15.115 -0.821 -9.699 241 HB3 CYS 38 2HB CYS 38 14.803 -0.631 -11.422 242 H CYS 39 H CYS 39 14.846 -3.743 -9.237 243 HA CYS 39 HA CYS 39 13.279 -3.551 -6.748 244 HB2 CYS 39 1HB CYS 39 14.305 -5.858 -8.281 245 HB3 CYS 39 2HB CYS 39 14.518 -5.959 -6.536 246 H ARG 40 H ARG 40 14.497 -4.088 -4.758 247 HA ARG 40 HA ARG 40 16.726 -2.448 -4.437 248 HB2 ARG 40 1HB ARG 40 15.921 -4.803 -2.720 249 HB3 ARG 40 2HB ARG 40 16.974 -3.481 -2.235 250 HG2 ARG 40 1HG ARG 40 14.152 -2.998 -3.123 251 HG3 ARG 40 2HG ARG 40 14.548 -3.420 -1.456 252 HD2 ARG 40 1HD ARG 40 15.758 -1.101 -2.954 253 HD3 ARG 40 2HD ARG 40 14.363 -0.969 -1.883 254 HE ARG 40 HE ARG 40 15.763 -1.383 -0.043 255 HH11 ARG 40 1HH1 ARG 40 17.500 -1.343 -3.060 256 HH12 ARG 40 2HH1 ARG 40 19.053 -1.163 -2.313 257 HH21 ARG 40 1HH2 ARG 40 17.803 -1.146 0.952 258 HH22 ARG 40 2HH2 ARG 40 19.224 -1.053 -0.032 259 H ILE 41 H ILE 41 18.591 -2.725 -5.482 260 HA ILE 41 HA ILE 41 19.627 -5.410 -5.949 261 HB ILE 41 HB ILE 41 20.670 -2.730 -6.871 262 HG12 ILE 41 1HG1 ILE 41 19.136 -4.898 -8.321 263 HG13 ILE 41 2HG1 ILE 41 18.531 -3.300 -7.897 264 HG21 ILE 41 1HG2 ILE 41 22.461 -4.364 -6.665 265 HG22 ILE 41 2HG2 ILE 41 21.536 -5.518 -7.625 266 HG23 ILE 41 3HG2 ILE 41 22.120 -4.025 -8.361 267 HD11 ILE 41 3HD1 ILE 41 20.341 -2.350 -9.355 268 HD12 ILE 41 1HD1 ILE 41 20.648 -3.996 -9.908 269 HD13 ILE 41 2HD1 ILE 41 19.076 -3.249 -10.192 270 H GLY 42 H GLY 42 20.778 -2.342 -4.540 271 HA2 GLY 42 1HA GLY 42 22.037 -3.637 -2.348 272 HA3 GLY 42 2HA GLY 42 23.225 -3.228 -3.577 Start of MODEL 13 1 H1 ASP 1 1H ASP 1 2.658 -1.474 0.523 2 HA ASP 1 HA ASP 1 2.306 1.110 0.575 3 HB2 ASP 1 1HB ASP 1 1.486 1.041 2.870 4 HB3 ASP 1 2HB ASP 1 1.043 -0.439 2.024 5 H ASP 2 H ASP 2 5.103 0.814 0.229 6 HA ASP 2 HA ASP 2 6.007 2.881 2.047 7 HB2 ASP 2 1HB ASP 2 6.540 0.713 3.194 8 HB3 ASP 2 2HB ASP 2 7.578 0.307 1.830 9 H THR 3 H THR 3 5.614 3.575 -0.359 10 HA THR 3 HA THR 3 8.143 3.256 -1.839 11 HB THR 3 HB THR 3 5.687 4.303 -3.179 12 HG1 THR 3 HG1 THR 3 4.689 2.446 -3.043 13 HG21 THR 3 3HG2 THR 3 7.403 2.302 -4.469 14 HG22 THR 3 1HG2 THR 3 8.230 3.794 -4.022 15 HG23 THR 3 2HG2 THR 3 6.815 3.850 -5.075 16 HA PRO 4 HA PRO 4 8.209 7.618 -0.415 17 HB2 PRO 4 1HB PRO 4 10.917 7.737 -0.248 18 HB3 PRO 4 2HB PRO 4 9.901 7.098 1.050 19 HG2 PRO 4 1HG PRO 4 11.443 5.622 -1.049 20 HG3 PRO 4 2HG PRO 4 11.287 5.268 0.681 21 HD2 PRO 4 1HD PRO 4 9.863 3.953 -1.209 22 HD3 PRO 4 2HD PRO 4 9.228 4.266 0.419 23 H SER 5 H SER 5 10.032 9.320 -1.264 24 HA SER 5 HA SER 5 9.523 9.514 -4.082 25 HB2 SER 5 1HB SER 5 11.267 11.289 -2.360 26 HB3 SER 5 2HB SER 5 10.594 11.685 -3.941 27 HG SER 5 HG SER 5 9.420 12.524 -2.075 28 H SER 6 H SER 6 10.728 7.394 -4.408 29 HA SER 6 HA SER 6 13.621 7.844 -4.671 30 HB2 SER 6 1HB SER 6 12.144 5.210 -4.843 31 HB3 SER 6 2HB SER 6 13.886 5.448 -4.714 32 HG SER 6 HG SER 6 13.632 6.144 -2.630 33 H ARG 7 H ARG 7 14.218 5.935 -6.566 34 HA ARG 7 HA ARG 7 12.660 5.967 -8.890 35 HB2 ARG 7 1HB ARG 7 13.033 8.336 -9.007 36 HB3 ARG 7 2HB ARG 7 14.757 8.133 -8.732 37 HG2 ARG 7 1HG ARG 7 14.909 6.935 -10.898 38 HG3 ARG 7 2HG ARG 7 13.207 7.308 -11.176 39 HD2 ARG 7 1HD ARG 7 14.372 9.740 -10.480 40 HD3 ARG 7 2HD ARG 7 15.545 8.966 -11.544 41 HE ARG 7 HE ARG 7 14.078 9.205 -13.299 42 HH11 ARG 7 1HH1 ARG 7 12.452 9.903 -10.301 43 HH12 ARG 7 2HH1 ARG 7 11.035 10.540 -11.067 44 HH21 ARG 7 1HH2 ARG 7 12.218 10.041 -14.320 45 HH22 ARG 7 2HH2 ARG 7 10.902 10.617 -13.353 46 H CYS 8 H CYS 8 13.624 4.833 -10.601 47 HA CYS 8 HA CYS 8 15.528 2.917 -9.899 48 HB2 CYS 8 1HB CYS 8 14.668 3.858 -12.642 49 HB3 CYS 8 2HB CYS 8 15.614 2.405 -12.336 50 H GLY 9 H GLY 9 17.647 3.077 -9.622 51 HA2 GLY 9 1HA GLY 9 19.847 3.654 -10.026 52 HA3 GLY 9 2HA GLY 9 19.314 4.511 -11.464 53 H SER 10 H SER 10 17.964 5.178 -8.317 54 HA SER 10 HA SER 10 19.375 7.766 -8.325 55 HB2 SER 10 1HB SER 10 16.715 7.494 -8.627 56 HB3 SER 10 2HB SER 10 16.800 7.529 -6.866 57 HG SER 10 HG SER 10 16.705 9.623 -7.362 58 H GLY 11 H GLY 11 18.764 4.884 -6.629 59 HA2 GLY 11 1HA GLY 11 20.400 5.803 -4.415 60 HA3 GLY 11 2HA GLY 11 18.753 5.366 -3.988 61 H GLY 12 H GLY 12 18.092 3.195 -4.130 62 HA2 GLY 12 1HA GLY 12 20.356 1.304 -4.197 63 HA3 GLY 12 2HA GLY 12 18.893 1.082 -3.249 64 H TRP 13 H TRP 13 17.680 2.257 -5.967 65 HA TRP 13 HA TRP 13 17.000 -0.377 -6.968 66 HB2 TRP 13 1HB TRP 13 16.067 2.238 -8.135 67 HB3 TRP 13 2HB TRP 13 15.262 0.672 -8.170 68 HD1 TRP 13 HD1 TRP 13 15.678 3.773 -6.032 69 HE1 TRP 13 HE1 TRP 13 14.078 3.633 -4.021 70 HE3 TRP 13 HE3 TRP 13 14.122 -1.068 -6.568 71 HZ2 TRP 13 HZ2 TRP 13 12.381 1.723 -2.820 72 HZ3 TRP 13 HZ3 TRP 13 12.509 -1.975 -4.945 73 HH2 TRP 13 HH2 TRP 13 11.658 -0.607 -3.111 74 H GLY 14 H GLY 14 17.662 -1.271 -8.849 75 HA2 GLY 14 1HA GLY 14 20.028 -0.414 -10.074 76 HA3 GLY 14 2HA GLY 14 18.918 -1.602 -10.741 77 HA PRO 15 HA PRO 15 19.022 2.131 -13.522 78 HB2 PRO 15 1HB PRO 15 19.476 0.732 -15.803 79 HB3 PRO 15 2HB PRO 15 20.777 1.303 -14.752 80 HG2 PRO 15 1HG PRO 15 19.540 -1.418 -14.928 81 HG3 PRO 15 2HG PRO 15 21.250 -0.974 -14.783 82 HD2 PRO 15 1HD PRO 15 19.777 -1.805 -12.669 83 HD3 PRO 15 2HD PRO 15 21.099 -0.631 -12.509 84 H CYS 16 H CYS 16 17.788 -1.070 -14.523 85 HA CYS 16 HA CYS 16 15.076 -0.368 -14.431 86 HB2 CYS 16 1HB CYS 16 16.495 0.464 -16.837 87 HB3 CYS 16 2HB CYS 16 15.148 -0.611 -17.196 88 H LEU 17 H LEU 17 14.023 -2.230 -14.256 89 HA LEU 17 HA LEU 17 15.076 -4.585 -15.675 90 HB2 LEU 17 1HB LEU 17 15.689 -4.852 -13.390 91 HB3 LEU 17 2HB LEU 17 14.081 -4.383 -12.843 92 HG LEU 17 HG LEU 17 13.523 -6.589 -14.344 93 HD11 LEU 17 1HD1 LEU 17 16.029 -7.295 -12.846 94 HD12 LEU 17 2HD1 LEU 17 16.032 -6.905 -14.566 95 HD13 LEU 17 3HD1 LEU 17 15.106 -8.285 -13.977 96 HD21 LEU 17 3HD2 LEU 17 13.644 -5.851 -11.559 97 HD22 LEU 17 1HD2 LEU 17 14.003 -7.564 -11.777 98 HD23 LEU 17 2HD2 LEU 17 12.494 -6.894 -12.398 99 HA PRO 18 HA PRO 18 10.987 -4.967 -17.276 100 HB2 PRO 18 1HB PRO 18 11.096 -7.569 -18.043 101 HB3 PRO 18 2HB PRO 18 11.921 -6.274 -18.919 102 HG2 PRO 18 1HG PRO 18 13.026 -8.217 -16.928 103 HG3 PRO 18 2HG PRO 18 13.725 -7.667 -18.462 104 HD2 PRO 18 1HD PRO 18 14.510 -6.678 -16.067 105 HD3 PRO 18 2HD PRO 18 14.503 -5.699 -17.548 106 H ILE 19 H ILE 19 9.152 -5.170 -16.172 107 HA ILE 19 HA ILE 19 8.897 -6.428 -13.701 108 HB ILE 19 HB ILE 19 6.648 -5.884 -15.641 109 HG12 ILE 19 1HG1 ILE 19 7.927 -4.069 -13.584 110 HG13 ILE 19 2HG1 ILE 19 8.010 -3.877 -15.332 111 HG21 ILE 19 1HG2 ILE 19 5.980 -7.275 -13.776 112 HG22 ILE 19 2HG2 ILE 19 6.699 -6.138 -12.638 113 HG23 ILE 19 3HG2 ILE 19 5.297 -5.660 -13.594 114 HD11 ILE 19 3HD1 ILE 19 5.923 -3.107 -13.458 115 HD12 ILE 19 1HD1 ILE 19 6.285 -2.498 -15.073 116 HD13 ILE 19 2HD1 ILE 19 5.316 -3.959 -14.877 117 H VAL 20 H VAL 20 8.791 -7.750 -16.866 118 HA VAL 20 HA VAL 20 7.149 -9.979 -16.516 119 HB VAL 20 HB VAL 20 8.163 -9.190 -18.685 120 HG11 VAL 20 1HG1 VAL 20 10.348 -9.433 -19.185 121 HG12 VAL 20 2HG1 VAL 20 10.542 -9.420 -17.431 122 HG13 VAL 20 3HG1 VAL 20 10.489 -10.953 -18.301 123 HG21 VAL 20 3HG2 VAL 20 8.422 -12.120 -18.013 124 HG22 VAL 20 1HG2 VAL 20 6.951 -11.293 -18.526 125 HG23 VAL 20 2HG2 VAL 20 8.311 -11.447 -19.639 126 H ASP 21 H ASP 21 10.284 -9.294 -15.263 127 HA ASP 21 HA ASP 21 10.537 -12.077 -14.329 128 HB2 ASP 21 1HB ASP 21 12.384 -11.264 -15.797 129 HB3 ASP 21 2HB ASP 21 12.741 -10.024 -14.598 130 H LEU 22 H LEU 22 9.621 -9.073 -13.353 131 HA LEU 22 HA LEU 22 10.831 -8.483 -10.980 132 HB2 LEU 22 1HB LEU 22 8.552 -7.671 -12.275 133 HB3 LEU 22 2HB LEU 22 7.920 -8.361 -10.782 134 HG LEU 22 HG LEU 22 9.645 -6.831 -9.614 135 HD11 LEU 22 1HD1 LEU 22 9.358 -4.885 -11.756 136 HD12 LEU 22 2HD1 LEU 22 10.352 -6.267 -12.213 137 HD13 LEU 22 3HD1 LEU 22 10.772 -5.311 -10.791 138 HD21 LEU 22 3HD2 LEU 22 7.066 -6.635 -9.835 139 HD22 LEU 22 1HD2 LEU 22 7.437 -5.328 -10.960 140 HD23 LEU 22 2HD2 LEU 22 7.998 -5.240 -9.290 141 H LEU 23 H LEU 23 10.309 -8.940 -8.759 142 HA LEU 23 HA LEU 23 8.930 -11.482 -8.287 143 HB2 LEU 23 1HB LEU 23 11.111 -12.267 -8.325 144 HB3 LEU 23 2HB LEU 23 11.756 -10.796 -7.599 145 HG LEU 23 HG LEU 23 9.972 -12.509 -5.945 146 HD11 LEU 23 1HD1 LEU 23 12.602 -13.325 -7.019 147 HD12 LEU 23 2HD1 LEU 23 11.240 -14.305 -6.475 148 HD13 LEU 23 3HD1 LEU 23 12.331 -13.580 -5.294 149 HD21 LEU 23 3HD2 LEU 23 10.624 -10.719 -4.703 150 HD22 LEU 23 1HD2 LEU 23 12.144 -10.523 -5.576 151 HD23 LEU 23 2HD2 LEU 23 11.981 -11.793 -4.362 152 H CYS 24 H CYS 24 9.684 -8.301 -7.363 153 HA CYS 24 HA CYS 24 8.585 -8.670 -4.670 154 HB2 CYS 24 1HB CYS 24 9.502 -5.989 -5.522 155 HB3 CYS 24 2HB CYS 24 9.768 -6.843 -4.005 156 H ILE 25 H ILE 25 7.263 -6.611 -3.970 157 HA ILE 25 HA ILE 25 5.297 -6.032 -6.089 158 HB ILE 25 HB ILE 25 4.692 -6.490 -3.165 159 HG12 ILE 25 1HG1 ILE 25 3.974 -8.182 -5.569 160 HG13 ILE 25 2HG1 ILE 25 5.270 -8.554 -4.437 161 HG21 ILE 25 1HG2 ILE 25 2.897 -5.875 -5.507 162 HG22 ILE 25 2HG2 ILE 25 2.331 -6.374 -3.913 163 HG23 ILE 25 3HG2 ILE 25 3.201 -4.852 -4.103 164 HD11 ILE 25 3HD1 ILE 25 2.322 -8.452 -3.858 165 HD12 ILE 25 1HD1 ILE 25 3.366 -9.873 -3.878 166 HD13 ILE 25 2HD1 ILE 25 3.570 -8.645 -2.628 167 H VAL 26 H VAL 26 6.938 -4.918 -3.187 168 HA VAL 26 HA VAL 26 5.773 -2.261 -3.418 169 HB VAL 26 HB VAL 26 7.939 -3.056 -1.488 170 HG11 VAL 26 1HG1 VAL 26 6.516 -1.366 -0.106 171 HG12 VAL 26 2HG1 VAL 26 7.637 -0.773 -1.333 172 HG13 VAL 26 3HG1 VAL 26 5.912 -0.871 -1.687 173 HG21 VAL 26 3HG2 VAL 26 5.000 -3.652 -1.364 174 HG22 VAL 26 1HG2 VAL 26 6.364 -4.731 -1.070 175 HG23 VAL 26 2HG2 VAL 26 5.967 -3.473 0.100 176 H HIS 27 H HIS 27 7.839 -3.613 -5.300 177 HA HIS 27 HA HIS 27 10.271 -2.264 -5.162 178 HB2 HIS 27 1HB HIS 27 10.649 -2.959 -7.386 179 HB3 HIS 27 2HB HIS 27 9.602 -4.197 -6.698 180 HD1 HIS 27 HD1 HIS 27 9.960 -3.108 -9.795 181 HD2 HIS 27 HD2 HIS 27 6.723 -2.666 -7.228 182 HE1 HIS 27 HE1 HIS 27 7.970 -2.722 -11.283 183 H VAL 28 H VAL 28 10.757 -0.856 -7.399 184 HA VAL 28 HA VAL 28 8.915 1.441 -7.240 185 HB VAL 28 HB VAL 28 11.913 1.384 -7.202 186 HG11 VAL 28 1HG1 VAL 28 11.512 2.833 -9.034 187 HG12 VAL 28 2HG1 VAL 28 10.162 3.616 -8.209 188 HG13 VAL 28 3HG1 VAL 28 11.812 3.866 -7.636 189 HG21 VAL 28 3HG2 VAL 28 10.661 1.519 -5.087 190 HG22 VAL 28 1HG2 VAL 28 11.624 2.967 -5.384 191 HG23 VAL 28 2HG2 VAL 28 9.881 2.995 -5.657 192 H THR 29 H THR 29 8.416 2.496 -9.124 193 HA THR 29 HA THR 29 9.628 1.488 -11.606 194 HB THR 29 HB THR 29 7.191 1.857 -12.552 195 HG1 THR 29 HG1 THR 29 5.609 1.619 -11.086 196 HG21 THR 29 3HG2 THR 29 6.779 -0.638 -11.602 197 HG22 THR 29 1HG2 THR 29 8.511 -0.474 -11.311 198 HG23 THR 29 2HG2 THR 29 7.867 -0.269 -12.941 199 H VAL 30 H VAL 30 10.398 3.839 -10.396 200 HA VAL 30 HA VAL 30 9.092 5.922 -12.020 201 HB VAL 30 HB VAL 30 10.860 6.409 -9.628 202 HG11 VAL 30 1HG1 VAL 30 10.115 8.621 -9.711 203 HG12 VAL 30 2HG1 VAL 30 10.388 8.200 -11.403 204 HG13 VAL 30 3HG1 VAL 30 8.749 8.220 -10.750 205 HG21 VAL 30 3HG2 VAL 30 9.218 5.615 -8.345 206 HG22 VAL 30 1HG2 VAL 30 8.257 6.994 -8.879 207 HG23 VAL 30 2HG2 VAL 30 8.126 5.449 -9.719 208 H GLY 31 H GLY 31 10.276 7.136 -13.420 209 HA2 GLY 31 1HA GLY 31 12.159 7.981 -14.492 210 HA3 GLY 31 2HA GLY 31 13.169 7.096 -13.359 211 H CYS 32 H CYS 32 11.129 4.810 -14.320 212 HA CYS 32 HA CYS 32 12.963 3.873 -16.400 213 HB2 CYS 32 1HB CYS 32 11.164 2.558 -14.432 214 HB3 CYS 32 2HB CYS 32 11.403 1.736 -15.971 215 H SER 33 H SER 33 11.646 2.242 -17.948 216 HA SER 33 HA SER 33 9.882 3.981 -19.443 217 HB2 SER 33 1HB SER 33 11.308 1.414 -19.975 218 HB3 SER 33 2HB SER 33 9.888 1.792 -20.951 219 HG SER 33 HG SER 33 12.377 2.800 -21.116 220 H GLY 34 H GLY 34 7.803 3.260 -20.271 221 HA2 GLY 34 1HA GLY 34 6.098 2.329 -18.229 222 HA3 GLY 34 2HA GLY 34 5.656 2.531 -19.918 223 H GLY 35 H GLY 35 6.734 0.309 -17.473 224 HA2 GLY 35 1HA GLY 35 5.657 -1.955 -17.870 225 HA3 GLY 35 2HA GLY 35 6.498 -1.904 -19.413 226 H PHE 36 H PHE 36 8.480 -0.404 -17.275 227 HA PHE 36 HA PHE 36 9.777 -2.903 -16.425 228 HB2 PHE 36 1HB PHE 36 11.229 -0.496 -17.542 229 HB3 PHE 36 2HB PHE 36 11.958 -2.010 -17.017 230 HD1 PHE 36 HD1 PHE 36 9.728 -0.497 -19.547 231 HD2 PHE 36 HD2 PHE 36 12.123 -3.847 -18.470 232 HE1 PHE 36 HE1 PHE 36 9.493 -1.393 -21.826 233 HE2 PHE 36 HE2 PHE 36 11.893 -4.748 -20.748 234 HZ PHE 36 HZ PHE 36 10.577 -3.521 -22.430 235 H GLY 37 H GLY 37 10.380 -2.944 -14.348 236 HA2 GLY 37 1HA GLY 37 10.429 -0.371 -12.893 237 HA3 GLY 37 2HA GLY 37 9.750 -1.840 -12.208 238 H CYS 38 H CYS 38 11.324 -1.155 -10.476 239 HA CYS 38 HA CYS 38 13.762 -2.702 -10.819 240 HB2 CYS 38 1HB CYS 38 15.030 -0.750 -9.665 241 HB3 CYS 38 2HB CYS 38 14.738 -0.667 -11.399 242 H CYS 39 H CYS 39 14.529 -3.587 -8.931 243 HA CYS 39 HA CYS 39 12.916 -3.055 -6.522 244 HB2 CYS 39 1HB CYS 39 12.966 -5.399 -7.823 245 HB3 CYS 39 2HB CYS 39 14.372 -5.632 -6.789 246 H ARG 40 H ARG 40 14.080 -3.654 -4.458 247 HA ARG 40 HA ARG 40 16.402 -2.104 -4.197 248 HB2 ARG 40 1HB ARG 40 15.379 -4.257 -2.336 249 HB3 ARG 40 2HB ARG 40 16.530 -2.994 -1.920 250 HG2 ARG 40 1HG ARG 40 13.791 -2.321 -2.927 251 HG3 ARG 40 2HG ARG 40 14.081 -2.696 -1.227 252 HD2 ARG 40 1HD ARG 40 15.683 -0.626 -2.702 253 HD3 ARG 40 2HD ARG 40 14.149 -0.239 -1.924 254 HE ARG 40 HE ARG 40 15.361 -1.278 0.129 255 HH11 ARG 40 1HH1 ARG 40 16.771 0.725 -2.344 256 HH12 ARG 40 2HH1 ARG 40 17.982 1.390 -1.299 257 HH21 ARG 40 1HH2 ARG 40 16.951 -0.411 1.516 258 HH22 ARG 40 2HH2 ARG 40 18.084 0.742 0.896 259 H ILE 41 H ILE 41 18.402 -2.538 -4.825 260 HA ILE 41 HA ILE 41 19.231 -5.353 -5.058 261 HB ILE 41 HB ILE 41 20.341 -2.921 -6.463 262 HG12 ILE 41 1HG1 ILE 41 19.057 -5.259 -7.824 263 HG13 ILE 41 2HG1 ILE 41 18.038 -4.015 -7.107 264 HG21 ILE 41 1HG2 ILE 41 21.234 -5.262 -7.704 265 HG22 ILE 41 2HG2 ILE 41 22.188 -4.115 -6.764 266 HG23 ILE 41 3HG2 ILE 41 21.470 -5.519 -5.975 267 HD11 ILE 41 3HD1 ILE 41 19.766 -3.915 -9.493 268 HD12 ILE 41 1HD1 ILE 41 18.213 -3.142 -9.177 269 HD13 ILE 41 2HD1 ILE 41 19.692 -2.457 -8.503 270 H GLY 42 H GLY 42 20.487 -2.128 -4.202 271 HA2 GLY 42 1HA GLY 42 21.911 -1.520 -2.489 272 HA3 GLY 42 2HA GLY 42 21.846 -3.176 -1.905 Start of MODEL 14 1 H1 ASP 1 1H ASP 1 4.026 -2.533 1.969 2 HA ASP 1 HA ASP 1 3.426 -0.726 0.425 3 HB2 ASP 1 1HB ASP 1 1.645 0.421 1.918 4 HB3 ASP 1 2HB ASP 1 1.521 -1.314 1.641 5 H ASP 2 H ASP 2 5.939 0.081 1.119 6 HA ASP 2 HA ASP 2 5.519 2.916 1.796 7 HB2 ASP 2 1HB ASP 2 7.868 2.863 2.742 8 HB3 ASP 2 2HB ASP 2 6.654 1.996 3.677 9 H THR 3 H THR 3 5.812 4.072 0.016 10 HA THR 3 HA THR 3 8.114 3.441 -1.704 11 HB THR 3 HB THR 3 5.642 4.551 -2.960 12 HG1 THR 3 HG1 THR 3 4.877 2.423 -3.285 13 HG21 THR 3 3HG2 THR 3 6.618 3.920 -4.909 14 HG22 THR 3 1HG2 THR 3 7.302 2.450 -4.217 15 HG23 THR 3 2HG2 THR 3 8.087 4.005 -3.938 16 HA PRO 4 HA PRO 4 8.408 7.829 -0.394 17 HB2 PRO 4 1HB PRO 4 11.122 7.848 -0.351 18 HB3 PRO 4 2HB PRO 4 10.144 7.279 1.007 19 HG2 PRO 4 1HG PRO 4 11.533 5.696 -1.121 20 HG3 PRO 4 2HG PRO 4 11.443 5.388 0.623 21 HD2 PRO 4 1HD PRO 4 9.886 4.085 -1.169 22 HD3 PRO 4 2HD PRO 4 9.338 4.460 0.477 23 H SER 5 H SER 5 10.174 9.476 -1.369 24 HA SER 5 HA SER 5 9.589 9.572 -4.177 25 HB2 SER 5 1HB SER 5 11.481 11.430 -2.751 26 HB3 SER 5 2HB SER 5 10.444 11.767 -4.137 27 HG SER 5 HG SER 5 9.481 12.656 -2.342 28 H SER 6 H SER 6 10.804 7.424 -4.409 29 HA SER 6 HA SER 6 13.690 7.843 -4.731 30 HB2 SER 6 1HB SER 6 12.145 5.247 -4.913 31 HB3 SER 6 2HB SER 6 13.896 5.435 -4.816 32 HG SER 6 HG SER 6 13.712 6.094 -2.723 33 H ARG 7 H ARG 7 14.255 5.947 -6.645 34 HA ARG 7 HA ARG 7 12.709 5.999 -8.966 35 HB2 ARG 7 1HB ARG 7 13.024 8.352 -9.124 36 HB3 ARG 7 2HB ARG 7 14.736 8.218 -8.746 37 HG2 ARG 7 1HG ARG 7 15.302 7.775 -10.870 38 HG3 ARG 7 2HG ARG 7 13.888 6.753 -11.141 39 HD2 ARG 7 1HD ARG 7 12.613 8.480 -11.879 40 HD3 ARG 7 2HD ARG 7 13.392 9.649 -10.814 41 HE ARG 7 HE ARG 7 14.083 9.072 -13.518 42 HH11 ARG 7 1HH1 ARG 7 15.387 10.055 -10.443 43 HH12 ARG 7 2HH1 ARG 7 16.737 10.891 -11.136 44 HH21 ARG 7 1HH2 ARG 7 15.856 10.170 -14.442 45 HH22 ARG 7 2HH2 ARG 7 17.003 10.957 -13.410 46 H CYS 8 H CYS 8 13.595 4.738 -10.568 47 HA CYS 8 HA CYS 8 15.545 2.894 -9.921 48 HB2 CYS 8 1HB CYS 8 14.698 3.840 -12.667 49 HB3 CYS 8 2HB CYS 8 15.633 2.381 -12.354 50 H GLY 9 H GLY 9 17.671 3.032 -9.677 51 HA2 GLY 9 1HA GLY 9 19.866 3.632 -10.058 52 HA3 GLY 9 2HA GLY 9 19.333 4.485 -11.499 53 H SER 10 H SER 10 17.976 5.150 -8.353 54 HA SER 10 HA SER 10 19.367 7.749 -8.370 55 HB2 SER 10 1HB SER 10 17.430 8.838 -7.833 56 HB3 SER 10 2HB SER 10 16.709 7.453 -8.653 57 HG SER 10 HG SER 10 16.300 6.515 -6.680 58 H GLY 11 H GLY 11 18.745 4.872 -6.644 59 HA2 GLY 11 1HA GLY 11 20.420 5.796 -4.458 60 HA3 GLY 11 2HA GLY 11 18.775 5.365 -4.011 61 H GLY 12 H GLY 12 18.102 3.192 -4.165 62 HA2 GLY 12 1HA GLY 12 20.362 1.296 -4.224 63 HA3 GLY 12 2HA GLY 12 18.899 1.080 -3.274 64 H TRP 13 H TRP 13 17.689 2.251 -5.995 65 HA TRP 13 HA TRP 13 16.999 -0.383 -6.988 66 HB2 TRP 13 1HB TRP 13 16.079 2.229 -8.171 67 HB3 TRP 13 2HB TRP 13 15.265 0.667 -8.191 68 HD1 TRP 13 HD1 TRP 13 15.727 3.772 -6.059 69 HE1 TRP 13 HE1 TRP 13 14.119 3.662 -4.053 70 HE3 TRP 13 HE3 TRP 13 14.081 -1.038 -6.601 71 HZ2 TRP 13 HZ2 TRP 13 12.383 1.784 -2.857 72 HZ3 TRP 13 HZ3 TRP 13 12.448 -1.915 -4.983 73 HH2 TRP 13 HH2 TRP 13 11.618 -0.532 -3.151 74 H GLY 14 H GLY 14 17.659 -1.287 -8.866 75 HA2 GLY 14 1HA GLY 14 20.030 -0.446 -10.091 76 HA3 GLY 14 2HA GLY 14 18.915 -1.631 -10.755 77 HA PRO 15 HA PRO 15 19.039 2.096 -13.546 78 HB2 PRO 15 1HB PRO 15 19.502 0.691 -15.822 79 HB3 PRO 15 2HB PRO 15 20.799 1.263 -14.766 80 HG2 PRO 15 1HG PRO 15 19.560 -1.456 -14.941 81 HG3 PRO 15 2HG PRO 15 21.271 -1.014 -14.790 82 HD2 PRO 15 1HD PRO 15 19.787 -1.839 -12.680 83 HD3 PRO 15 2HD PRO 15 21.109 -0.666 -12.517 84 H CYS 16 H CYS 16 17.797 -1.111 -14.517 85 HA CYS 16 HA CYS 16 15.089 -0.397 -14.450 86 HB2 CYS 16 1HB CYS 16 16.522 0.411 -16.855 87 HB3 CYS 16 2HB CYS 16 15.177 -0.668 -17.214 88 H LEU 17 H LEU 17 14.031 -2.255 -14.258 89 HA LEU 17 HA LEU 17 15.089 -4.628 -15.643 90 HB2 LEU 17 1HB LEU 17 15.669 -4.885 -13.354 91 HB3 LEU 17 2HB LEU 17 14.064 -4.381 -12.826 92 HG LEU 17 HG LEU 17 13.487 -6.600 -14.307 93 HD11 LEU 17 1HD1 LEU 17 15.955 -7.004 -14.527 94 HD12 LEU 17 2HD1 LEU 17 15.036 -8.329 -13.814 95 HD13 LEU 17 3HD1 LEU 17 15.996 -7.267 -12.784 96 HD21 LEU 17 3HD2 LEU 17 14.173 -7.091 -11.480 97 HD22 LEU 17 1HD2 LEU 17 12.666 -7.373 -12.352 98 HD23 LEU 17 2HD2 LEU 17 13.069 -5.750 -11.791 99 HA PRO 18 HA PRO 18 11.023 -5.015 -17.300 100 HB2 PRO 18 1HB PRO 18 11.130 -7.628 -18.029 101 HB3 PRO 18 2HB PRO 18 11.975 -6.350 -18.910 102 HG2 PRO 18 1HG PRO 18 13.039 -8.270 -16.874 103 HG3 PRO 18 2HG PRO 18 13.765 -7.746 -18.405 104 HD2 PRO 18 1HD PRO 18 14.518 -6.726 -16.013 105 HD3 PRO 18 2HD PRO 18 14.539 -5.769 -17.508 106 H ILE 19 H ILE 19 9.170 -5.193 -16.223 107 HA ILE 19 HA ILE 19 8.872 -6.418 -13.739 108 HB ILE 19 HB ILE 19 6.658 -5.873 -15.718 109 HG12 ILE 19 1HG1 ILE 19 7.909 -4.055 -13.648 110 HG13 ILE 19 2HG1 ILE 19 8.037 -3.877 -15.394 111 HG21 ILE 19 1HG2 ILE 19 6.655 -6.110 -12.713 112 HG22 ILE 19 2HG2 ILE 19 5.275 -5.623 -13.695 113 HG23 ILE 19 3HG2 ILE 19 5.944 -7.246 -13.858 114 HD11 ILE 19 3HD1 ILE 19 5.865 -3.143 -13.572 115 HD12 ILE 19 1HD1 ILE 19 6.344 -2.443 -15.118 116 HD13 ILE 19 2HD1 ILE 19 5.353 -3.902 -15.080 117 H VAL 20 H VAL 20 8.799 -7.775 -16.890 118 HA VAL 20 HA VAL 20 7.136 -9.991 -16.523 119 HB VAL 20 HB VAL 20 8.152 -9.227 -18.700 120 HG11 VAL 20 1HG1 VAL 20 10.476 -10.991 -18.293 121 HG12 VAL 20 2HG1 VAL 20 10.337 -9.482 -19.198 122 HG13 VAL 20 3HG1 VAL 20 10.530 -9.447 -17.445 123 HG21 VAL 20 3HG2 VAL 20 6.938 -11.273 -18.670 124 HG22 VAL 20 1HG2 VAL 20 8.423 -11.569 -19.573 125 HG23 VAL 20 2HG2 VAL 20 8.277 -12.131 -17.907 126 H ASP 21 H ASP 21 10.301 -9.320 -15.314 127 HA ASP 21 HA ASP 21 10.536 -12.092 -14.345 128 HB2 ASP 21 1HB ASP 21 12.380 -10.682 -15.786 129 HB3 ASP 21 2HB ASP 21 12.912 -10.368 -14.136 130 H LEU 22 H LEU 22 9.618 -9.086 -13.386 131 HA LEU 22 HA LEU 22 10.829 -8.477 -11.019 132 HB2 LEU 22 1HB LEU 22 8.562 -7.663 -12.314 133 HB3 LEU 22 2HB LEU 22 7.909 -8.375 -10.840 134 HG LEU 22 HG LEU 22 9.622 -6.851 -9.633 135 HD11 LEU 22 1HD1 LEU 22 9.321 -4.878 -11.749 136 HD12 LEU 22 2HD1 LEU 22 10.336 -6.241 -12.217 137 HD13 LEU 22 3HD1 LEU 22 10.734 -5.298 -10.781 138 HD21 LEU 22 3HD2 LEU 22 7.044 -6.679 -9.853 139 HD22 LEU 22 1HD2 LEU 22 7.399 -5.359 -10.968 140 HD23 LEU 22 2HD2 LEU 22 7.958 -5.276 -9.297 141 H LEU 23 H LEU 23 10.282 -8.908 -8.789 142 HA LEU 23 HA LEU 23 8.938 -11.469 -8.307 143 HB2 LEU 23 1HB LEU 23 11.136 -12.213 -8.313 144 HB3 LEU 23 2HB LEU 23 11.744 -10.726 -7.588 145 HG LEU 23 HG LEU 23 9.966 -12.457 -5.946 146 HD11 LEU 23 1HD1 LEU 23 12.190 -13.550 -7.236 147 HD12 LEU 23 2HD1 LEU 23 11.310 -14.220 -5.863 148 HD13 LEU 23 3HD1 LEU 23 12.722 -13.199 -5.591 149 HD21 LEU 23 3HD2 LEU 23 10.576 -10.653 -4.705 150 HD22 LEU 23 1HD2 LEU 23 12.101 -10.434 -5.565 151 HD23 LEU 23 2HD2 LEU 23 11.950 -11.700 -4.347 152 H CYS 24 H CYS 24 9.622 -8.265 -7.411 153 HA CYS 24 HA CYS 24 8.482 -8.628 -4.731 154 HB2 CYS 24 1HB CYS 24 9.392 -5.943 -5.564 155 HB3 CYS 24 2HB CYS 24 9.654 -6.804 -4.050 156 H ILE 25 H ILE 25 7.129 -6.583 -4.066 157 HA ILE 25 HA ILE 25 5.208 -6.021 -6.229 158 HB ILE 25 HB ILE 25 4.547 -6.483 -3.317 159 HG12 ILE 25 1HG1 ILE 25 3.832 -8.166 -5.726 160 HG13 ILE 25 2HG1 ILE 25 5.159 -8.531 -4.629 161 HG21 ILE 25 1HG2 ILE 25 2.214 -6.585 -4.787 162 HG22 ILE 25 2HG2 ILE 25 2.751 -5.245 -3.775 163 HG23 ILE 25 3HG2 ILE 25 3.098 -5.238 -5.504 164 HD11 ILE 25 3HD1 ILE 25 2.517 -9.359 -4.414 165 HD12 ILE 25 1HD1 ILE 25 3.788 -9.519 -3.203 166 HD13 ILE 25 2HD1 ILE 25 2.713 -8.121 -3.173 167 H VAL 26 H VAL 26 6.750 -4.890 -3.275 168 HA VAL 26 HA VAL 26 5.590 -2.236 -3.565 169 HB VAL 26 HB VAL 26 5.933 -3.373 -1.318 170 HG11 VAL 26 1HG1 VAL 26 8.017 -3.615 -0.382 171 HG12 VAL 26 2HG1 VAL 26 8.369 -3.981 -2.072 172 HG13 VAL 26 3HG1 VAL 26 8.745 -2.387 -1.417 173 HG21 VAL 26 3HG2 VAL 26 7.373 -0.796 -1.177 174 HG22 VAL 26 1HG2 VAL 26 5.802 -0.777 -1.979 175 HG23 VAL 26 2HG2 VAL 26 5.935 -1.343 -0.314 176 H HIS 27 H HIS 27 7.730 -3.591 -5.358 177 HA HIS 27 HA HIS 27 10.154 -2.239 -5.125 178 HB2 HIS 27 1HB HIS 27 10.621 -2.937 -7.334 179 HB3 HIS 27 2HB HIS 27 9.562 -4.180 -6.675 180 HD1 HIS 27 HD1 HIS 27 10.012 -3.146 -9.766 181 HD2 HIS 27 HD2 HIS 27 6.695 -2.644 -7.315 182 HE1 HIS 27 HE1 HIS 27 8.073 -2.779 -11.325 183 H VAL 28 H VAL 28 10.721 -0.847 -7.360 184 HA VAL 28 HA VAL 28 8.889 1.461 -7.258 185 HB VAL 28 HB VAL 28 11.886 1.377 -7.187 186 HG11 VAL 28 1HG1 VAL 28 11.811 3.857 -7.638 187 HG12 VAL 28 2HG1 VAL 28 11.512 2.818 -9.033 188 HG13 VAL 28 3HG1 VAL 28 10.165 3.618 -8.223 189 HG21 VAL 28 3HG2 VAL 28 11.591 2.974 -5.381 190 HG22 VAL 28 1HG2 VAL 28 9.852 3.014 -5.674 191 HG23 VAL 28 2HG2 VAL 28 10.614 1.536 -5.085 192 H THR 29 H THR 29 8.415 2.499 -9.156 193 HA THR 29 HA THR 29 9.651 1.463 -11.615 194 HB THR 29 HB THR 29 7.229 1.834 -12.595 195 HG1 THR 29 HG1 THR 29 5.836 2.204 -11.049 196 HG21 THR 29 3HG2 THR 29 6.794 -0.648 -11.606 197 HG22 THR 29 1HG2 THR 29 8.527 -0.487 -11.323 198 HG23 THR 29 2HG2 THR 29 7.878 -0.301 -12.952 199 H VAL 30 H VAL 30 10.401 3.828 -10.395 200 HA VAL 30 HA VAL 30 9.132 5.901 -12.059 201 HB VAL 30 HB VAL 30 10.860 6.373 -9.632 202 HG11 VAL 30 1HG1 VAL 30 9.429 8.071 -11.564 203 HG12 VAL 30 2HG1 VAL 30 9.247 8.526 -9.869 204 HG13 VAL 30 3HG1 VAL 30 10.855 8.415 -10.586 205 HG21 VAL 30 3HG2 VAL 30 9.159 5.690 -8.369 206 HG22 VAL 30 1HG2 VAL 30 8.222 7.038 -9.012 207 HG23 VAL 30 2HG2 VAL 30 8.130 5.454 -9.782 208 H GLY 31 H GLY 31 10.345 7.127 -13.431 209 HA2 GLY 31 1HA GLY 31 12.250 7.956 -14.478 210 HA3 GLY 31 2HA GLY 31 13.237 7.044 -13.346 211 H CYS 32 H CYS 32 11.191 4.786 -14.329 212 HA CYS 32 HA CYS 32 13.017 3.855 -16.418 213 HB2 CYS 32 1HB CYS 32 11.205 2.533 -14.465 214 HB3 CYS 32 2HB CYS 32 11.455 1.721 -16.007 215 H SER 33 H SER 33 11.692 2.245 -17.979 216 HA SER 33 HA SER 33 9.930 4.004 -19.454 217 HB2 SER 33 1HB SER 33 11.650 2.720 -20.650 218 HB3 SER 33 2HB SER 33 10.916 1.214 -20.101 219 HG SER 33 HG SER 33 10.200 2.852 -22.161 220 H GLY 34 H GLY 34 7.848 3.306 -20.279 221 HA2 GLY 34 1HA GLY 34 6.145 2.349 -18.248 222 HA3 GLY 34 2HA GLY 34 5.700 2.574 -19.934 223 H GLY 35 H GLY 35 6.774 0.317 -17.518 224 HA2 GLY 35 1HA GLY 35 5.683 -1.937 -17.961 225 HA3 GLY 35 2HA GLY 35 6.552 -1.870 -19.487 226 H PHE 36 H PHE 36 8.517 -0.402 -17.326 227 HA PHE 36 HA PHE 36 9.778 -2.913 -16.459 228 HB2 PHE 36 1HB PHE 36 11.262 -0.523 -17.569 229 HB3 PHE 36 2HB PHE 36 11.976 -2.036 -17.023 230 HD1 PHE 36 HD1 PHE 36 9.770 -0.542 -19.587 231 HD2 PHE 36 HD2 PHE 36 12.166 -3.876 -18.465 232 HE1 PHE 36 HE1 PHE 36 9.559 -1.455 -21.862 233 HE2 PHE 36 HE2 PHE 36 11.960 -4.793 -20.738 234 HZ PHE 36 HZ PHE 36 10.656 -3.582 -22.441 235 H GLY 37 H GLY 37 10.382 -2.956 -14.379 236 HA2 GLY 37 1HA GLY 37 10.420 -0.384 -12.922 237 HA3 GLY 37 2HA GLY 37 9.740 -1.855 -12.242 238 H CYS 38 H CYS 38 11.305 -1.163 -10.503 239 HA CYS 38 HA CYS 38 13.744 -2.711 -10.829 240 HB2 CYS 38 1HB CYS 38 15.015 -0.758 -9.687 241 HB3 CYS 38 2HB CYS 38 14.718 -0.676 -11.421 242 H CYS 39 H CYS 39 14.512 -3.577 -8.929 243 HA CYS 39 HA CYS 39 12.882 -3.038 -6.533 244 HB2 CYS 39 1HB CYS 39 12.998 -5.400 -7.832 245 HB3 CYS 39 2HB CYS 39 14.357 -5.601 -6.731 246 H ARG 40 H ARG 40 14.029 -3.581 -4.457 247 HA ARG 40 HA ARG 40 16.341 -2.021 -4.198 248 HB2 ARG 40 1HB ARG 40 15.332 -4.162 -2.315 249 HB3 ARG 40 2HB ARG 40 16.454 -2.870 -1.909 250 HG2 ARG 40 1HG ARG 40 13.699 -2.289 -2.936 251 HG3 ARG 40 2HG ARG 40 14.012 -2.594 -1.226 252 HD2 ARG 40 1HD ARG 40 15.416 -0.488 -2.863 253 HD3 ARG 40 2HD ARG 40 14.003 -0.181 -1.853 254 HE ARG 40 HE ARG 40 15.321 -0.530 0.061 255 HH11 ARG 40 1HH1 ARG 40 17.141 -0.844 -2.891 256 HH12 ARG 40 2HH1 ARG 40 18.681 -0.700 -2.110 257 HH21 ARG 40 1HH2 ARG 40 17.343 -0.340 1.100 258 HH22 ARG 40 2HH2 ARG 40 18.795 -0.415 0.160 259 H ILE 41 H ILE 41 18.228 -2.499 -5.116 260 HA ILE 41 HA ILE 41 19.093 -5.281 -5.315 261 HB ILE 41 HB ILE 41 20.337 -2.775 -6.455 262 HG12 ILE 41 1HG1 ILE 41 18.699 -4.959 -7.762 263 HG13 ILE 41 2HG1 ILE 41 18.166 -3.308 -7.463 264 HG21 ILE 41 1HG2 ILE 41 21.999 -4.505 -6.057 265 HG22 ILE 41 2HG2 ILE 41 21.008 -5.677 -6.924 266 HG23 ILE 41 3HG2 ILE 41 21.711 -4.308 -7.785 267 HD11 ILE 41 3HD1 ILE 41 20.187 -4.303 -9.430 268 HD12 ILE 41 1HD1 ILE 41 18.744 -3.328 -9.711 269 HD13 ILE 41 2HD1 ILE 41 20.151 -2.615 -8.922 270 H GLY 42 H GLY 42 20.400 -2.164 -4.173 271 HA2 GLY 42 1HA GLY 42 21.704 -3.522 -1.964 272 HA3 GLY 42 2HA GLY 42 22.792 -2.801 -3.141 Start of MODEL 15 1 H1 ASP 1 1H ASP 1 1.611 2.681 -4.318 2 HA ASP 1 HA ASP 1 1.663 0.575 -3.438 3 HB2 ASP 1 1HB ASP 1 4.236 0.502 -4.996 4 HB3 ASP 1 2HB ASP 1 3.774 -0.830 -3.940 5 H ASP 2 H ASP 2 2.494 2.886 -1.989 6 HA ASP 2 HA ASP 2 3.437 3.477 -0.004 7 HB2 ASP 2 1HB ASP 2 3.314 0.489 0.209 8 HB3 ASP 2 2HB ASP 2 4.102 1.425 1.476 9 H THR 3 H THR 3 5.195 4.278 -1.459 10 HA THR 3 HA THR 3 7.740 3.088 -0.621 11 HB THR 3 HB THR 3 7.702 2.219 -2.779 12 HG1 THR 3 HG1 THR 3 9.581 3.143 -3.085 13 HG21 THR 3 3HG2 THR 3 6.232 4.724 -3.488 14 HG22 THR 3 1HG2 THR 3 5.801 3.045 -3.808 15 HG23 THR 3 2HG2 THR 3 7.077 3.822 -4.745 16 HA PRO 4 HA PRO 4 8.835 7.245 0.309 17 HB2 PRO 4 1HB PRO 4 11.540 7.048 0.178 18 HB3 PRO 4 2HB PRO 4 10.590 6.365 1.503 19 HG2 PRO 4 1HG PRO 4 11.723 5.007 -0.912 20 HG3 PRO 4 2HG PRO 4 11.700 4.456 0.774 21 HD2 PRO 4 1HD PRO 4 9.944 3.552 -1.079 22 HD3 PRO 4 2HD PRO 4 9.518 3.724 0.636 23 H SER 5 H SER 5 10.702 8.865 -0.539 24 HA SER 5 HA SER 5 9.994 9.374 -3.287 25 HB2 SER 5 1HB SER 5 11.788 10.890 -1.377 26 HB3 SER 5 2HB SER 5 11.325 11.453 -2.983 27 HG SER 5 HG SER 5 9.623 12.228 -2.046 28 H SER 6 H SER 6 11.118 7.222 -3.820 29 HA SER 6 HA SER 6 13.995 7.641 -4.264 30 HB2 SER 6 1HB SER 6 12.442 5.050 -4.452 31 HB3 SER 6 2HB SER 6 14.195 5.239 -4.490 32 HG SER 6 HG SER 6 14.225 5.437 -2.386 33 H ARG 7 H ARG 7 14.425 5.850 -6.306 34 HA ARG 7 HA ARG 7 12.702 6.030 -8.502 35 HB2 ARG 7 1HB ARG 7 13.084 8.397 -8.518 36 HB3 ARG 7 2HB ARG 7 14.822 8.174 -8.365 37 HG2 ARG 7 1HG ARG 7 15.096 7.906 -10.564 38 HG3 ARG 7 2HG ARG 7 13.680 6.862 -10.708 39 HD2 ARG 7 1HD ARG 7 12.295 8.583 -11.211 40 HD3 ARG 7 2HD ARG 7 13.156 9.719 -10.173 41 HE ARG 7 HE ARG 7 13.563 9.300 -12.967 42 HH11 ARG 7 1HH1 ARG 7 15.143 10.206 -10.001 43 HH12 ARG 7 2HH1 ARG 7 16.375 11.136 -10.788 44 HH21 ARG 7 1HH2 ARG 7 15.179 10.521 -14.016 45 HH22 ARG 7 2HH2 ARG 7 16.394 11.315 -13.072 46 H CYS 8 H CYS 8 13.446 4.843 -10.231 47 HA CYS 8 HA CYS 8 15.384 2.923 -9.821 48 HB2 CYS 8 1HB CYS 8 14.185 4.043 -12.346 49 HB3 CYS 8 2HB CYS 8 15.369 2.741 -12.390 50 H GLY 9 H GLY 9 17.525 2.986 -9.722 51 HA2 GLY 9 1HA GLY 9 19.707 3.574 -10.170 52 HA3 GLY 9 2HA GLY 9 19.119 4.471 -11.562 53 H SER 10 H SER 10 17.981 5.066 -8.309 54 HA SER 10 HA SER 10 19.402 7.648 -8.354 55 HB2 SER 10 1HB SER 10 16.853 7.677 -8.609 56 HB3 SER 10 2HB SER 10 16.790 7.158 -6.925 57 HG SER 10 HG SER 10 16.865 9.248 -6.602 58 H GLY 11 H GLY 11 18.941 4.720 -6.715 59 HA2 GLY 11 1HA GLY 11 20.715 5.579 -4.591 60 HA3 GLY 11 2HA GLY 11 19.100 5.134 -4.059 61 H GLY 12 H GLY 12 18.402 2.963 -4.290 62 HA2 GLY 12 1HA GLY 12 20.657 1.073 -4.514 63 HA3 GLY 12 2HA GLY 12 19.238 0.820 -3.508 64 H TRP 13 H TRP 13 17.898 2.088 -6.119 65 HA TRP 13 HA TRP 13 17.180 -0.511 -7.186 66 HB2 TRP 13 1HB TRP 13 16.169 2.139 -8.198 67 HB3 TRP 13 2HB TRP 13 15.373 0.568 -8.250 68 HD1 TRP 13 HD1 TRP 13 15.877 3.591 -6.023 69 HE1 TRP 13 HE1 TRP 13 14.390 3.360 -3.935 70 HE3 TRP 13 HE3 TRP 13 14.339 -1.244 -6.652 71 HZ2 TRP 13 HZ2 TRP 13 12.779 1.388 -2.715 72 HZ3 TRP 13 HZ3 TRP 13 12.826 -2.228 -4.980 73 HH2 TRP 13 HH2 TRP 13 12.063 -0.937 -3.053 74 H GLY 14 H GLY 14 17.772 -1.330 -9.120 75 HA2 GLY 14 1HA GLY 14 20.054 -0.380 -10.436 76 HA3 GLY 14 2HA GLY 14 18.939 -1.577 -11.080 77 HA PRO 15 HA PRO 15 18.807 2.241 -13.746 78 HB2 PRO 15 1HB PRO 15 19.188 0.925 -16.089 79 HB3 PRO 15 2HB PRO 15 20.522 1.502 -15.084 80 HG2 PRO 15 1HG PRO 15 19.354 -1.247 -15.286 81 HG3 PRO 15 2HG PRO 15 21.057 -0.757 -15.210 82 HD2 PRO 15 1HD PRO 15 19.713 -1.696 -13.055 83 HD3 PRO 15 2HD PRO 15 21.007 -0.488 -12.921 84 H CYS 16 H CYS 16 17.616 -0.964 -14.788 85 HA CYS 16 HA CYS 16 14.889 -0.306 -14.560 86 HB2 CYS 16 1HB CYS 16 16.203 0.517 -17.033 87 HB3 CYS 16 2HB CYS 16 14.843 -0.564 -17.320 88 H LEU 17 H LEU 17 13.892 -2.188 -14.306 89 HA LEU 17 HA LEU 17 14.897 -4.531 -15.778 90 HB2 LEU 17 1HB LEU 17 15.666 -4.792 -13.545 91 HB3 LEU 17 2HB LEU 17 14.100 -4.326 -12.885 92 HG LEU 17 HG LEU 17 13.456 -6.548 -14.337 93 HD11 LEU 17 1HD1 LEU 17 15.068 -8.229 -14.057 94 HD12 LEU 17 2HD1 LEU 17 16.046 -7.232 -12.980 95 HD13 LEU 17 3HD1 LEU 17 15.955 -6.846 -14.699 96 HD21 LEU 17 3HD2 LEU 17 14.083 -7.502 -11.800 97 HD22 LEU 17 1HD2 LEU 17 12.544 -6.822 -12.328 98 HD23 LEU 17 2HD2 LEU 17 13.750 -5.785 -11.567 99 HA PRO 18 HA PRO 18 10.721 -5.000 -17.103 100 HB2 PRO 18 1HB PRO 18 10.823 -7.607 -17.853 101 HB3 PRO 18 2HB PRO 18 11.567 -6.308 -18.792 102 HG2 PRO 18 1HG PRO 18 12.832 -8.213 -16.859 103 HG3 PRO 18 2HG PRO 18 13.421 -7.668 -18.441 104 HD2 PRO 18 1HD PRO 18 14.342 -6.642 -16.110 105 HD3 PRO 18 2HD PRO 18 14.223 -5.679 -17.597 106 H ILE 19 H ILE 19 8.961 -5.226 -15.886 107 HA ILE 19 HA ILE 19 8.886 -6.457 -13.390 108 HB ILE 19 HB ILE 19 6.509 -5.982 -15.190 109 HG12 ILE 19 1HG1 ILE 19 7.854 -4.111 -13.228 110 HG13 ILE 19 2HG1 ILE 19 7.875 -3.952 -14.980 111 HG21 ILE 19 1HG2 ILE 19 6.777 -7.040 -12.555 112 HG22 ILE 19 2HG2 ILE 19 5.944 -5.489 -12.470 113 HG23 ILE 19 3HG2 ILE 19 5.312 -6.774 -13.499 114 HD11 ILE 19 3HD1 ILE 19 6.230 -2.472 -14.418 115 HD12 ILE 19 1HD1 ILE 19 5.277 -3.928 -14.704 116 HD13 ILE 19 2HD1 ILE 19 5.670 -3.441 -13.055 117 H VAL 20 H VAL 20 8.616 -7.823 -16.526 118 HA VAL 20 HA VAL 20 7.045 -10.082 -16.032 119 HB VAL 20 HB VAL 20 7.864 -9.293 -18.281 120 HG11 VAL 20 1HG1 VAL 20 10.009 -9.469 -18.940 121 HG12 VAL 20 2HG1 VAL 20 10.343 -9.467 -17.207 122 HG13 VAL 20 3HG1 VAL 20 10.255 -10.993 -18.087 123 HG21 VAL 20 3HG2 VAL 20 7.051 -11.748 -17.461 124 HG22 VAL 20 1HG2 VAL 20 7.332 -11.300 -19.144 125 HG23 VAL 20 2HG2 VAL 20 8.588 -12.140 -18.233 126 H ASP 21 H ASP 21 10.272 -9.320 -15.071 127 HA ASP 21 HA ASP 21 10.662 -12.084 -14.129 128 HB2 ASP 21 1HB ASP 21 12.479 -10.109 -15.324 129 HB3 ASP 21 2HB ASP 21 13.121 -10.895 -13.885 130 H LEU 22 H LEU 22 9.736 -9.106 -13.096 131 HA LEU 22 HA LEU 22 11.109 -8.457 -10.832 132 HB2 LEU 22 1HB LEU 22 8.721 -7.718 -11.941 133 HB3 LEU 22 2HB LEU 22 8.211 -8.448 -10.421 134 HG LEU 22 HG LEU 22 9.981 -6.865 -9.364 135 HD11 LEU 22 1HD1 LEU 22 9.384 -4.926 -11.462 136 HD12 LEU 22 2HD1 LEU 22 10.453 -6.229 -11.981 137 HD13 LEU 22 3HD1 LEU 22 10.887 -5.234 -10.591 138 HD21 LEU 22 3HD2 LEU 22 7.391 -6.802 -9.330 139 HD22 LEU 22 1HD2 LEU 22 7.578 -5.468 -10.469 140 HD23 LEU 22 2HD2 LEU 22 8.294 -5.361 -8.861 141 H LEU 23 H LEU 23 10.678 -8.875 -8.550 142 HA LEU 23 HA LEU 23 9.518 -11.508 -7.989 143 HB2 LEU 23 1HB LEU 23 11.762 -12.104 -8.110 144 HB3 LEU 23 2HB LEU 23 12.302 -10.586 -7.394 145 HG LEU 23 HG LEU 23 10.708 -12.434 -5.696 146 HD11 LEU 23 1HD1 LEU 23 12.952 -13.506 -5.073 147 HD12 LEU 23 2HD1 LEU 23 13.500 -12.952 -6.654 148 HD13 LEU 23 3HD1 LEU 23 12.141 -14.069 -6.534 149 HD21 LEU 23 3HD2 LEU 23 11.271 -10.601 -4.471 150 HD22 LEU 23 1HD2 LEU 23 12.747 -10.301 -5.389 151 HD23 LEU 23 2HD2 LEU 23 12.710 -11.579 -4.175 152 H CYS 24 H CYS 24 10.046 -8.261 -7.145 153 HA CYS 24 HA CYS 24 9.017 -8.681 -4.424 154 HB2 CYS 24 1HB CYS 24 9.820 -5.959 -5.210 155 HB3 CYS 24 2HB CYS 24 10.195 -6.869 -3.750 156 H ILE 25 H ILE 25 7.577 -6.778 -3.678 157 HA ILE 25 HA ILE 25 5.608 -6.210 -5.798 158 HB ILE 25 HB ILE 25 5.012 -6.661 -2.872 159 HG12 ILE 25 1HG1 ILE 25 4.503 -8.453 -5.257 160 HG13 ILE 25 2HG1 ILE 25 5.705 -8.736 -4.002 161 HG21 ILE 25 1HG2 ILE 25 3.496 -5.100 -4.045 162 HG22 ILE 25 2HG2 ILE 25 3.134 -6.371 -5.211 163 HG23 ILE 25 3HG2 ILE 25 2.690 -6.577 -3.517 164 HD11 ILE 25 3HD1 ILE 25 4.124 -9.996 -3.066 165 HD12 ILE 25 1HD1 ILE 25 3.427 -8.465 -2.539 166 HD13 ILE 25 2HD1 ILE 25 2.834 -9.246 -4.005 167 H VAL 26 H VAL 26 7.176 -5.058 -2.861 168 HA VAL 26 HA VAL 26 5.946 -2.432 -3.117 169 HB VAL 26 HB VAL 26 6.355 -3.572 -0.884 170 HG11 VAL 26 1HG1 VAL 26 8.671 -4.306 -1.459 171 HG12 VAL 26 2HG1 VAL 26 9.183 -2.623 -1.319 172 HG13 VAL 26 3HG1 VAL 26 8.538 -3.470 0.088 173 HG21 VAL 26 3HG2 VAL 26 6.041 -1.529 -0.066 174 HG22 VAL 26 1HG2 VAL 26 7.709 -1.085 -0.428 175 HG23 VAL 26 2HG2 VAL 26 6.455 -0.872 -1.650 176 H HIS 27 H HIS 27 8.089 -3.721 -4.954 177 HA HIS 27 HA HIS 27 10.482 -2.309 -4.752 178 HB2 HIS 27 1HB HIS 27 10.929 -2.980 -6.975 179 HB3 HIS 27 2HB HIS 27 9.915 -4.255 -6.305 180 HD1 HIS 27 HD1 HIS 27 10.281 -3.206 -9.397 181 HD2 HIS 27 HD2 HIS 27 6.999 -2.776 -6.885 182 HE1 HIS 27 HE1 HIS 27 8.307 -2.879 -10.920 183 H VAL 28 H VAL 28 10.975 -0.890 -6.989 184 HA VAL 28 HA VAL 28 9.091 1.374 -6.834 185 HB VAL 28 HB VAL 28 12.093 1.365 -6.862 186 HG11 VAL 28 1HG1 VAL 28 11.602 2.836 -8.656 187 HG12 VAL 28 2HG1 VAL 28 10.267 3.578 -7.772 188 HG13 VAL 28 3HG1 VAL 28 11.930 3.849 -7.251 189 HG21 VAL 28 3HG2 VAL 28 10.133 2.985 -5.244 190 HG22 VAL 28 1HG2 VAL 28 10.804 1.439 -4.724 191 HG23 VAL 28 2HG2 VAL 28 11.868 2.822 -4.977 192 H THR 29 H THR 29 8.538 2.400 -8.714 193 HA THR 29 HA THR 29 9.741 1.412 -11.209 194 HB THR 29 HB THR 29 7.291 1.715 -12.130 195 HG1 THR 29 HG1 THR 29 5.842 1.911 -10.612 196 HG21 THR 29 3HG2 THR 29 6.942 -0.775 -11.118 197 HG22 THR 29 1HG2 THR 29 8.678 -0.568 -10.891 198 HG23 THR 29 2HG2 THR 29 7.973 -0.406 -12.499 199 H VAL 30 H VAL 30 10.418 3.803 -9.951 200 HA VAL 30 HA VAL 30 9.055 5.849 -11.570 201 HB VAL 30 HB VAL 30 10.896 6.392 -9.248 202 HG11 VAL 30 1HG1 VAL 30 9.283 7.990 -11.087 203 HG12 VAL 30 2HG1 VAL 30 9.031 8.391 -9.387 204 HG13 VAL 30 3HG1 VAL 30 10.653 8.457 -10.078 205 HG21 VAL 30 3HG2 VAL 30 9.342 5.421 -7.952 206 HG22 VAL 30 1HG2 VAL 30 8.389 6.868 -8.284 207 HG23 VAL 30 2HG2 VAL 30 8.137 5.407 -9.239 208 H GLY 31 H GLY 31 10.194 7.165 -12.940 209 HA2 GLY 31 1HA GLY 31 12.046 8.052 -14.037 210 HA3 GLY 31 2HA GLY 31 13.089 7.094 -12.997 211 H CYS 32 H CYS 32 11.033 4.853 -13.950 212 HA CYS 32 HA CYS 32 12.724 4.057 -16.206 213 HB2 CYS 32 1HB CYS 32 11.131 2.605 -14.161 214 HB3 CYS 32 2HB CYS 32 11.252 1.861 -15.752 215 H SER 33 H SER 33 11.321 2.457 -17.713 216 HA SER 33 HA SER 33 9.347 4.209 -18.928 217 HB2 SER 33 1HB SER 33 11.270 2.543 -19.979 218 HB3 SER 33 2HB SER 33 9.794 1.604 -20.203 219 HG SER 33 HG SER 33 10.361 4.215 -21.143 220 H GLY 34 H GLY 34 7.212 3.623 -19.393 221 HA2 GLY 34 1HA GLY 34 5.798 2.292 -17.412 222 HA3 GLY 34 2HA GLY 34 5.179 2.625 -19.023 223 H GLY 35 H GLY 35 6.244 0.232 -16.852 224 HA2 GLY 35 1HA GLY 35 5.350 -2.022 -17.484 225 HA3 GLY 35 2HA GLY 35 6.179 -1.782 -19.015 226 H PHE 36 H PHE 36 8.216 -0.395 -16.957 227 HA PHE 36 HA PHE 36 9.543 -2.901 -16.177 228 HB2 PHE 36 1HB PHE 36 10.951 -0.500 -17.363 229 HB3 PHE 36 2HB PHE 36 11.693 -2.025 -16.887 230 HD1 PHE 36 HD1 PHE 36 9.347 -0.472 -19.284 231 HD2 PHE 36 HD2 PHE 36 11.757 -3.856 -18.358 232 HE1 PHE 36 HE1 PHE 36 8.980 -1.350 -21.553 233 HE2 PHE 36 HE2 PHE 36 11.394 -4.739 -20.625 234 HZ PHE 36 HZ PHE 36 10.005 -3.486 -22.227 235 H GLY 37 H GLY 37 10.270 -2.945 -14.138 236 HA2 GLY 37 1HA GLY 37 10.396 -0.374 -12.684 237 HA3 GLY 37 2HA GLY 37 9.760 -1.846 -11.965 238 H CYS 38 H CYS 38 11.440 -1.125 -10.333 239 HA CYS 38 HA CYS 38 13.892 -2.622 -10.866 240 HB2 CYS 38 1HB CYS 38 14.003 0.114 -9.599 241 HB3 CYS 38 2HB CYS 38 15.352 -0.890 -10.121 242 H CYS 39 H CYS 39 14.781 -3.599 -9.075 243 HA CYS 39 HA CYS 39 13.238 -3.326 -6.579 244 HB2 CYS 39 1HB CYS 39 14.132 -5.672 -8.102 245 HB3 CYS 39 2HB CYS 39 14.490 -5.762 -6.380 246 H ARG 40 H ARG 40 14.458 -3.845 -4.587 247 HA ARG 40 HA ARG 40 16.741 -2.255 -4.337 248 HB2 ARG 40 1HB ARG 40 15.852 -4.501 -2.518 249 HB3 ARG 40 2HB ARG 40 16.953 -3.197 -2.092 250 HG2 ARG 40 1HG ARG 40 14.152 -2.647 -3.005 251 HG3 ARG 40 2HG ARG 40 14.527 -3.019 -1.321 252 HD2 ARG 40 1HD ARG 40 15.818 -0.804 -2.906 253 HD3 ARG 40 2HD ARG 40 14.438 -0.583 -1.831 254 HE ARG 40 HE ARG 40 15.839 -0.986 0.013 255 HH11 ARG 40 1HH1 ARG 40 17.549 -1.102 -3.017 256 HH12 ARG 40 2HH1 ARG 40 19.114 -0.950 -2.290 257 HH21 ARG 40 1HH2 ARG 40 17.894 -0.785 0.983 258 HH22 ARG 40 2HH2 ARG 40 19.309 -0.770 -0.015 259 H ILE 41 H ILE 41 18.560 -2.665 -5.436 260 HA ILE 41 HA ILE 41 19.509 -5.406 -5.728 261 HB ILE 41 HB ILE 41 20.589 -2.824 -6.865 262 HG12 ILE 41 1HG1 ILE 41 19.018 -5.081 -8.130 263 HG13 ILE 41 2HG1 ILE 41 18.424 -3.455 -7.809 264 HG21 ILE 41 1HG2 ILE 41 21.415 -5.676 -7.394 265 HG22 ILE 41 2HG2 ILE 41 21.990 -4.263 -8.278 266 HG23 ILE 41 3HG2 ILE 41 22.370 -4.446 -6.566 267 HD11 ILE 41 3HD1 ILE 41 20.240 -2.628 -9.350 268 HD12 ILE 41 1HD1 ILE 41 20.488 -4.312 -9.810 269 HD13 ILE 41 2HD1 ILE 41 18.930 -3.538 -10.102 270 H GLY 42 H GLY 42 20.781 -2.281 -4.567 271 HA2 GLY 42 1HA GLY 42 21.816 -2.513 -2.263 272 HA3 GLY 42 2HA GLY 42 22.770 -3.795 -2.995 Start of MODEL 16 1 H1 ASP 1 1H ASP 1 2.289 -0.915 -1.733 2 HA ASP 1 HA ASP 1 3.864 0.590 -3.702 3 HB2 ASP 1 1HB ASP 1 1.449 -0.367 -4.108 4 HB3 ASP 1 2HB ASP 1 0.948 1.074 -3.227 5 H ASP 2 H ASP 2 4.667 1.024 -1.143 6 HA ASP 2 HA ASP 2 3.840 3.803 -0.736 7 HB2 ASP 2 1HB ASP 2 3.993 3.308 1.797 8 HB3 ASP 2 2HB ASP 2 2.532 2.826 0.940 9 H THR 3 H THR 3 5.999 3.699 -1.982 10 HA THR 3 HA THR 3 8.268 3.404 -0.142 11 HB THR 3 HB THR 3 9.473 3.920 -2.489 12 HG1 THR 3 HG1 THR 3 7.278 2.354 -3.331 13 HG21 THR 3 3HG2 THR 3 10.138 1.744 -2.418 14 HG22 THR 3 1HG2 THR 3 8.495 1.134 -2.225 15 HG23 THR 3 2HG2 THR 3 9.351 1.815 -0.842 16 HA PRO 4 HA PRO 4 9.019 7.717 0.176 17 HB2 PRO 4 1HB PRO 4 11.730 7.836 0.093 18 HB3 PRO 4 2HB PRO 4 10.838 7.204 1.482 19 HG2 PRO 4 1HG PRO 4 12.181 5.718 -0.743 20 HG3 PRO 4 2HG PRO 4 12.185 5.371 0.996 21 HD2 PRO 4 1HD PRO 4 10.594 4.048 -0.750 22 HD3 PRO 4 2HD PRO 4 10.111 4.368 0.928 23 H SER 5 H SER 5 10.757 9.415 -0.844 24 HA SER 5 HA SER 5 9.993 9.592 -3.606 25 HB2 SER 5 1HB SER 5 10.123 11.572 -2.087 26 HB3 SER 5 2HB SER 5 11.876 11.385 -2.056 27 HG SER 5 HG SER 5 10.346 11.757 -4.417 28 H SER 6 H SER 6 11.206 7.441 -3.941 29 HA SER 6 HA SER 6 14.057 7.897 -4.463 30 HB2 SER 6 1HB SER 6 12.533 5.284 -4.549 31 HB3 SER 6 2HB SER 6 14.284 5.491 -4.585 32 HG SER 6 HG SER 6 13.661 4.977 -2.498 33 H ARG 7 H ARG 7 14.507 6.024 -6.427 34 HA ARG 7 HA ARG 7 12.794 6.080 -8.631 35 HB2 ARG 7 1HB ARG 7 13.097 8.444 -8.770 36 HB3 ARG 7 2HB ARG 7 14.837 8.297 -8.558 37 HG2 ARG 7 1HG ARG 7 15.196 7.855 -10.730 38 HG3 ARG 7 2HG ARG 7 13.737 6.874 -10.880 39 HD2 ARG 7 1HD ARG 7 12.488 8.615 -11.565 40 HD3 ARG 7 2HD ARG 7 13.255 9.734 -10.439 41 HE ARG 7 HE ARG 7 13.977 9.265 -13.182 42 HH11 ARG 7 1HH1 ARG 7 15.086 10.379 -10.076 43 HH12 ARG 7 2HH1 ARG 7 16.353 11.360 -10.735 44 HH21 ARG 7 1HH2 ARG 7 15.642 10.552 -14.062 45 HH22 ARG 7 2HH2 ARG 7 16.668 11.459 -13.002 46 H CYS 8 H CYS 8 13.589 4.879 -10.339 47 HA CYS 8 HA CYS 8 15.567 3.013 -9.846 48 HB2 CYS 8 1HB CYS 8 14.475 4.029 -12.474 49 HB3 CYS 8 2HB CYS 8 15.546 2.638 -12.343 50 H GLY 9 H GLY 9 17.706 3.131 -9.737 51 HA2 GLY 9 1HA GLY 9 19.876 3.733 -10.244 52 HA3 GLY 9 2HA GLY 9 19.254 4.650 -11.608 53 H SER 10 H SER 10 18.016 5.239 -8.421 54 HA SER 10 HA SER 10 19.506 7.782 -8.360 55 HB2 SER 10 1HB SER 10 16.949 7.821 -8.736 56 HB3 SER 10 2HB SER 10 16.833 7.376 -7.034 57 HG SER 10 HG SER 10 17.826 9.736 -8.195 58 H GLY 11 H GLY 11 18.696 4.894 -6.693 59 HA2 GLY 11 1HA GLY 11 20.419 5.701 -4.479 60 HA3 GLY 11 2HA GLY 11 18.773 5.243 -4.070 61 H GLY 12 H GLY 12 18.184 3.102 -4.067 62 HA2 GLY 12 1HA GLY 12 20.426 1.212 -4.324 63 HA3 GLY 12 2HA GLY 12 18.989 0.959 -3.346 64 H TRP 13 H TRP 13 17.700 2.206 -5.994 65 HA TRP 13 HA TRP 13 17.009 -0.402 -7.057 66 HB2 TRP 13 1HB TRP 13 16.022 2.238 -8.118 67 HB3 TRP 13 2HB TRP 13 15.227 0.667 -8.170 68 HD1 TRP 13 HD1 TRP 13 15.678 3.716 -5.969 69 HE1 TRP 13 HE1 TRP 13 14.146 3.508 -3.911 70 HE3 TRP 13 HE3 TRP 13 14.163 -1.129 -6.571 71 HZ2 TRP 13 HZ2 TRP 13 12.512 1.549 -2.703 72 HZ3 TRP 13 HZ3 TRP 13 12.615 -2.095 -4.920 73 HH2 TRP 13 HH2 TRP 13 11.808 -0.782 -3.026 74 H GLY 14 H GLY 14 17.654 -1.241 -8.962 75 HA2 GLY 14 1HA GLY 14 19.962 -0.298 -10.236 76 HA3 GLY 14 2HA GLY 14 18.868 -1.506 -10.891 77 HA PRO 15 HA PRO 15 18.783 2.274 -13.610 78 HB2 PRO 15 1HB PRO 15 19.211 0.926 -15.927 79 HB3 PRO 15 2HB PRO 15 20.525 1.518 -14.903 80 HG2 PRO 15 1HG PRO 15 19.363 -1.235 -15.091 81 HG3 PRO 15 2HG PRO 15 21.063 -0.743 -14.987 82 HD2 PRO 15 1HD PRO 15 19.677 -1.652 -12.846 83 HD3 PRO 15 2HD PRO 15 20.967 -0.442 -12.703 84 H CYS 16 H CYS 16 17.622 -0.941 -14.652 85 HA CYS 16 HA CYS 16 14.889 -0.308 -14.471 86 HB2 CYS 16 1HB CYS 16 16.231 0.557 -16.911 87 HB3 CYS 16 2HB CYS 16 14.894 -0.541 -17.236 88 H LEU 17 H LEU 17 13.897 -2.199 -14.262 89 HA LEU 17 HA LEU 17 14.958 -4.521 -15.728 90 HB2 LEU 17 1HB LEU 17 15.666 -4.799 -13.479 91 HB3 LEU 17 2HB LEU 17 14.081 -4.344 -12.857 92 HG LEU 17 HG LEU 17 13.489 -6.559 -14.346 93 HD11 LEU 17 1HD1 LEU 17 15.991 -7.308 -12.884 94 HD12 LEU 17 2HD1 LEU 17 16.044 -6.800 -14.571 95 HD13 LEU 17 3HD1 LEU 17 15.098 -8.214 -14.105 96 HD21 LEU 17 3HD2 LEU 17 12.525 -6.903 -12.376 97 HD22 LEU 17 1HD2 LEU 17 13.641 -5.791 -11.583 98 HD23 LEU 17 2HD2 LEU 17 14.074 -7.491 -11.769 99 HA PRO 18 HA PRO 18 10.823 -5.005 -17.176 100 HB2 PRO 18 1HB PRO 18 10.968 -7.602 -17.953 101 HB3 PRO 18 2HB PRO 18 11.727 -6.285 -18.856 102 HG2 PRO 18 1HG PRO 18 12.954 -8.203 -16.912 103 HG3 PRO 18 2HG PRO 18 13.582 -7.634 -18.470 104 HD2 PRO 18 1HD PRO 18 14.430 -6.629 -16.103 105 HD3 PRO 18 2HD PRO 18 14.344 -5.649 -17.581 106 H ILE 19 H ILE 19 9.041 -5.248 -15.996 107 HA ILE 19 HA ILE 19 8.919 -6.542 -13.528 108 HB ILE 19 HB ILE 19 6.582 -5.972 -15.352 109 HG12 ILE 19 1HG1 ILE 19 7.886 -4.198 -13.275 110 HG13 ILE 19 2HG1 ILE 19 7.991 -3.977 -15.018 111 HG21 ILE 19 1HG2 ILE 19 5.356 -6.847 -13.722 112 HG22 ILE 19 2HG2 ILE 19 6.792 -7.113 -12.734 113 HG23 ILE 19 3HG2 ILE 19 5.934 -5.575 -12.647 114 HD11 ILE 19 3HD1 ILE 19 5.452 -3.812 -14.977 115 HD12 ILE 19 1HD1 ILE 19 5.614 -3.635 -13.230 116 HD13 ILE 19 2HD1 ILE 19 6.368 -2.461 -14.310 117 H VAL 20 H VAL 20 8.703 -7.815 -16.700 118 HA VAL 20 HA VAL 20 7.082 -10.058 -16.324 119 HB VAL 20 HB VAL 20 8.000 -9.229 -18.519 120 HG11 VAL 20 1HG1 VAL 20 10.165 -9.442 -19.110 121 HG12 VAL 20 2HG1 VAL 20 10.430 -9.454 -17.366 122 HG13 VAL 20 3HG1 VAL 20 10.358 -10.974 -18.258 123 HG21 VAL 20 3HG2 VAL 20 7.523 -11.928 -17.633 124 HG22 VAL 20 1HG2 VAL 20 7.079 -11.151 -19.152 125 HG23 VAL 20 2HG2 VAL 20 8.663 -11.905 -18.978 126 H ASP 21 H ASP 21 10.290 -9.386 -15.231 127 HA ASP 21 HA ASP 21 10.584 -12.178 -14.336 128 HB2 ASP 21 1HB ASP 21 12.365 -11.359 -15.868 129 HB3 ASP 21 2HB ASP 21 12.758 -10.105 -14.696 130 H LEU 22 H LEU 22 9.696 -9.198 -13.273 131 HA LEU 22 HA LEU 22 11.008 -8.630 -10.951 132 HB2 LEU 22 1HB LEU 22 8.676 -7.811 -12.124 133 HB3 LEU 22 2HB LEU 22 8.100 -8.555 -10.634 134 HG LEU 22 HG LEU 22 9.767 -7.048 -9.428 135 HD11 LEU 22 1HD1 LEU 22 9.633 -5.070 -11.556 136 HD12 LEU 22 2HD1 LEU 22 10.607 -6.476 -11.983 137 HD13 LEU 22 3HD1 LEU 22 10.988 -5.547 -10.533 138 HD21 LEU 22 3HD2 LEU 22 7.215 -6.767 -9.730 139 HD22 LEU 22 1HD2 LEU 22 7.653 -5.481 -10.855 140 HD23 LEU 22 2HD2 LEU 22 8.165 -5.390 -9.170 141 H LEU 23 H LEU 23 10.534 -9.099 -8.702 142 HA LEU 23 HA LEU 23 9.260 -11.695 -8.223 143 HB2 LEU 23 1HB LEU 23 11.466 -12.398 -8.308 144 HB3 LEU 23 2HB LEU 23 12.072 -10.907 -7.590 145 HG LEU 23 HG LEU 23 10.391 -12.695 -5.906 146 HD11 LEU 23 1HD1 LEU 23 13.226 -13.264 -6.732 147 HD12 LEU 23 2HD1 LEU 23 11.826 -14.333 -6.826 148 HD13 LEU 23 3HD1 LEU 23 12.503 -13.903 -5.255 149 HD21 LEU 23 3HD2 LEU 23 10.992 -10.886 -4.667 150 HD22 LEU 23 1HD2 LEU 23 12.481 -10.618 -5.574 151 HD23 LEU 23 2HD2 LEU 23 12.404 -11.900 -4.364 152 H CYS 24 H CYS 24 9.897 -8.493 -7.296 153 HA CYS 24 HA CYS 24 8.878 -8.922 -4.579 154 HB2 CYS 24 1HB CYS 24 9.651 -6.198 -5.435 155 HB3 CYS 24 2HB CYS 24 9.996 -7.049 -3.933 156 H ILE 25 H ILE 25 7.541 -6.816 -3.879 157 HA ILE 25 HA ILE 25 5.494 -6.335 -5.940 158 HB ILE 25 HB ILE 25 4.848 -6.738 -3.024 159 HG12 ILE 25 1HG1 ILE 25 5.770 -8.819 -4.030 160 HG13 ILE 25 2HG1 ILE 25 4.076 -8.969 -3.575 161 HG21 ILE 25 1HG2 ILE 25 2.553 -7.174 -4.134 162 HG22 ILE 25 2HG2 ILE 25 3.122 -5.513 -3.970 163 HG23 ILE 25 3HG2 ILE 25 3.251 -6.340 -5.522 164 HD11 ILE 25 3HD1 ILE 25 5.248 -9.534 -6.049 165 HD12 ILE 25 1HD1 ILE 25 3.533 -9.541 -5.638 166 HD13 ILE 25 2HD1 ILE 25 4.279 -8.080 -6.288 167 H VAL 26 H VAL 26 7.086 -5.225 -3.003 168 HA VAL 26 HA VAL 26 5.830 -2.606 -3.192 169 HB VAL 26 HB VAL 26 6.276 -3.785 -0.986 170 HG11 VAL 26 1HG1 VAL 26 8.813 -4.060 -1.958 171 HG12 VAL 26 2HG1 VAL 26 8.986 -2.690 -0.858 172 HG13 VAL 26 3HG1 VAL 26 8.351 -4.225 -0.264 173 HG21 VAL 26 3HG2 VAL 26 7.569 -1.083 -1.063 174 HG22 VAL 26 1HG2 VAL 26 5.852 -1.278 -1.416 175 HG23 VAL 26 2HG2 VAL 26 6.491 -1.766 0.154 176 H HIS 27 H HIS 27 7.961 -3.841 -5.078 177 HA HIS 27 HA HIS 27 10.344 -2.413 -4.880 178 HB2 HIS 27 1HB HIS 27 10.767 -3.036 -7.122 179 HB3 HIS 27 2HB HIS 27 9.776 -4.334 -6.462 180 HD1 HIS 27 HD1 HIS 27 10.095 -3.171 -9.536 181 HD2 HIS 27 HD2 HIS 27 6.831 -2.927 -6.977 182 HE1 HIS 27 HE1 HIS 27 8.096 -2.848 -11.026 183 H VAL 28 H VAL 28 10.805 -0.942 -7.084 184 HA VAL 28 HA VAL 28 8.872 1.277 -6.917 185 HB VAL 28 HB VAL 28 11.864 1.343 -6.769 186 HG11 VAL 28 1HG1 VAL 28 11.675 3.829 -7.165 187 HG12 VAL 28 2HG1 VAL 28 11.482 2.809 -8.591 188 HG13 VAL 28 3HG1 VAL 28 10.066 3.518 -7.814 189 HG21 VAL 28 3HG2 VAL 28 11.501 2.751 -4.890 190 HG22 VAL 28 1HG2 VAL 28 9.799 2.966 -5.299 191 HG23 VAL 28 2HG2 VAL 28 10.379 1.399 -4.736 192 H THR 29 H THR 29 8.363 2.329 -8.792 193 HA THR 29 HA THR 29 9.694 1.422 -11.256 194 HB THR 29 HB THR 29 7.308 1.731 -12.293 195 HG1 THR 29 HG1 THR 29 5.651 1.494 -10.901 196 HG21 THR 29 3HG2 THR 29 6.864 -0.746 -11.279 197 HG22 THR 29 1HG2 THR 29 8.589 -0.561 -10.964 198 HG23 THR 29 2HG2 THR 29 7.971 -0.404 -12.608 199 H VAL 30 H VAL 30 10.401 3.755 -9.996 200 HA VAL 30 HA VAL 30 9.063 5.865 -11.552 201 HB VAL 30 HB VAL 30 10.917 6.300 -9.216 202 HG11 VAL 30 1HG1 VAL 30 10.597 8.470 -9.585 203 HG12 VAL 30 2HG1 VAL 30 9.818 8.031 -11.106 204 HG13 VAL 30 3HG1 VAL 30 8.848 8.261 -9.651 205 HG21 VAL 30 3HG2 VAL 30 8.185 5.326 -9.226 206 HG22 VAL 30 1HG2 VAL 30 9.334 5.453 -7.895 207 HG23 VAL 30 2HG2 VAL 30 8.346 6.843 -8.342 208 H GLY 31 H GLY 31 10.203 7.145 -12.939 209 HA2 GLY 31 1HA GLY 31 12.052 8.024 -14.044 210 HA3 GLY 31 2HA GLY 31 13.096 7.079 -12.992 211 H CYS 32 H CYS 32 11.023 4.840 -13.951 212 HA CYS 32 HA CYS 32 12.739 4.012 -16.176 213 HB2 CYS 32 1HB CYS 32 11.086 2.585 -14.156 214 HB3 CYS 32 2HB CYS 32 11.258 1.829 -15.737 215 H SER 33 H SER 33 11.347 2.421 -17.698 216 HA SER 33 HA SER 33 9.369 4.178 -18.916 217 HB2 SER 33 1HB SER 33 11.331 2.845 -20.095 218 HB3 SER 33 2HB SER 33 10.135 1.550 -20.119 219 HG SER 33 HG SER 33 8.710 3.059 -21.163 220 H GLY 34 H GLY 34 7.269 3.505 -19.493 221 HA2 GLY 34 1HA GLY 34 5.838 2.122 -17.556 222 HA3 GLY 34 2HA GLY 34 5.259 2.441 -19.184 223 H GLY 35 H GLY 35 6.177 0.064 -16.985 224 HA2 GLY 35 1HA GLY 35 5.438 -2.207 -17.648 225 HA3 GLY 35 2HA GLY 35 6.296 -1.938 -19.157 226 H PHE 36 H PHE 36 8.248 -0.499 -17.060 227 HA PHE 36 HA PHE 36 9.624 -2.967 -16.245 228 HB2 PHE 36 1HB PHE 36 11.001 -0.535 -17.400 229 HB3 PHE 36 2HB PHE 36 11.762 -2.049 -16.920 230 HD1 PHE 36 HD1 PHE 36 9.428 -0.526 -19.348 231 HD2 PHE 36 HD2 PHE 36 11.890 -3.866 -18.402 232 HE1 PHE 36 HE1 PHE 36 9.118 -1.396 -21.629 233 HE2 PHE 36 HE2 PHE 36 11.586 -4.740 -20.682 234 HZ PHE 36 HZ PHE 36 10.199 -3.505 -22.299 235 H GLY 37 H GLY 37 10.277 -2.990 -14.185 236 HA2 GLY 37 1HA GLY 37 10.336 -0.410 -12.743 237 HA3 GLY 37 2HA GLY 37 9.694 -1.884 -12.033 238 H CYS 38 H CYS 38 11.328 -1.112 -10.365 239 HA CYS 38 HA CYS 38 13.795 -2.614 -10.801 240 HB2 CYS 38 1HB CYS 38 13.927 0.124 -9.557 241 HB3 CYS 38 2HB CYS 38 15.250 -0.874 -10.151 242 H CYS 39 H CYS 39 14.649 -3.530 -8.959 243 HA CYS 39 HA CYS 39 13.052 -3.182 -6.507 244 HB2 CYS 39 1HB CYS 39 13.322 -5.484 -7.961 245 HB3 CYS 39 2HB CYS 39 14.600 -5.670 -6.764 246 H ARG 40 H ARG 40 14.231 -3.666 -4.478 247 HA ARG 40 HA ARG 40 16.500 -2.072 -4.201 248 HB2 ARG 40 1HB ARG 40 15.612 -4.328 -2.393 249 HB3 ARG 40 2HB ARG 40 16.696 -3.014 -1.953 250 HG2 ARG 40 1HG ARG 40 13.898 -2.495 -2.896 251 HG3 ARG 40 2HG ARG 40 14.264 -2.854 -1.207 252 HD2 ARG 40 1HD ARG 40 15.556 -0.637 -2.788 253 HD3 ARG 40 2HD ARG 40 14.150 -0.419 -1.746 254 HE ARG 40 HE ARG 40 15.512 -0.788 0.133 255 HH11 ARG 40 1HH1 ARG 40 17.292 -0.932 -2.856 256 HH12 ARG 40 2HH1 ARG 40 18.839 -0.763 -2.094 257 HH21 ARG 40 1HH2 ARG 40 17.543 -0.565 1.147 258 HH22 ARG 40 2HH2 ARG 40 18.980 -0.555 0.183 259 H ILE 41 H ILE 41 18.335 -2.461 -5.278 260 HA ILE 41 HA ILE 41 19.315 -5.185 -5.584 261 HB ILE 41 HB ILE 41 20.628 -2.658 -6.576 262 HG12 ILE 41 1HG1 ILE 41 18.366 -2.718 -7.462 263 HG13 ILE 41 2HG1 ILE 41 19.506 -3.130 -8.739 264 HG21 ILE 41 1HG2 ILE 41 21.487 -4.316 -8.309 265 HG22 ILE 41 2HG2 ILE 41 22.154 -4.437 -6.682 266 HG23 ILE 41 3HG2 ILE 41 20.919 -5.577 -7.216 267 HD11 ILE 41 3HD1 ILE 41 18.964 -5.583 -7.962 268 HD12 ILE 41 1HD1 ILE 41 17.485 -4.820 -7.376 269 HD13 ILE 41 2HD1 ILE 41 17.915 -4.717 -9.084 270 H GLY 42 H GLY 42 20.539 -2.081 -4.322 271 HA2 GLY 42 1HA GLY 42 21.889 -1.688 -2.484 272 HA3 GLY 42 2HA GLY 42 21.847 -3.410 -2.133 Start of MODEL 17 1 H1 ASP 1 1H ASP 1 1.948 1.625 4.349 2 HA ASP 1 HA ASP 1 3.960 -0.301 3.475 3 HB2 ASP 1 1HB ASP 1 1.538 -0.897 4.142 4 HB3 ASP 1 2HB ASP 1 1.092 -0.244 2.568 5 H ASP 2 H ASP 2 4.725 2.077 2.582 6 HA ASP 2 HA ASP 2 4.477 1.795 -0.283 7 HB2 ASP 2 1HB ASP 2 2.696 3.510 0.904 8 HB3 ASP 2 2HB ASP 2 4.025 4.591 0.495 9 H THR 3 H THR 3 6.270 2.487 -1.343 10 HA THR 3 HA THR 3 8.564 3.162 0.242 11 HB THR 3 HB THR 3 9.429 3.485 -2.318 12 HG1 THR 3 HG1 THR 3 7.474 1.431 -2.485 13 HG21 THR 3 3HG2 THR 3 9.420 1.379 -0.324 14 HG22 THR 3 1HG2 THR 3 10.711 1.895 -1.409 15 HG23 THR 3 2HG2 THR 3 9.506 0.731 -1.961 16 HA PRO 4 HA PRO 4 8.666 7.532 -0.151 17 HB2 PRO 4 1HB PRO 4 11.311 8.015 -0.522 18 HB3 PRO 4 2HB PRO 4 10.638 7.493 1.027 19 HG2 PRO 4 1HG PRO 4 12.018 5.875 -1.080 20 HG3 PRO 4 2HG PRO 4 12.209 5.814 0.681 21 HD2 PRO 4 1HD PRO 4 10.710 4.020 -0.684 22 HD3 PRO 4 2HD PRO 4 10.315 4.532 0.969 23 H SER 5 H SER 5 9.905 9.306 -1.570 24 HA SER 5 HA SER 5 9.028 8.821 -4.273 25 HB2 SER 5 1HB SER 5 10.421 11.273 -3.180 26 HB3 SER 5 2HB SER 5 9.454 11.164 -4.650 27 HG SER 5 HG SER 5 7.733 11.447 -3.490 28 H SER 6 H SER 6 10.771 7.022 -4.298 29 HA SER 6 HA SER 6 13.406 8.069 -5.017 30 HB2 SER 6 1HB SER 6 12.517 5.711 -3.716 31 HB3 SER 6 2HB SER 6 13.253 5.214 -5.239 32 HG SER 6 HG SER 6 14.991 6.787 -4.507 33 H ARG 7 H ARG 7 14.279 6.128 -6.760 34 HA ARG 7 HA ARG 7 12.521 5.643 -8.925 35 HB2 ARG 7 1HB ARG 7 13.211 7.244 -10.524 36 HB3 ARG 7 2HB ARG 7 12.850 8.156 -9.064 37 HG2 ARG 7 1HG ARG 7 15.561 7.509 -8.882 38 HG3 ARG 7 2HG ARG 7 15.295 7.992 -10.559 39 HD2 ARG 7 1HD ARG 7 13.874 9.881 -9.197 40 HD3 ARG 7 2HD ARG 7 15.221 9.583 -8.099 41 HE ARG 7 HE ARG 7 16.583 10.679 -9.562 42 HH11 ARG 7 1HH1 ARG 7 13.719 9.660 -11.259 43 HH12 ARG 7 2HH1 ARG 7 14.140 10.476 -12.728 44 HH21 ARG 7 1HH2 ARG 7 17.149 11.758 -11.491 45 HH22 ARG 7 2HH2 ARG 7 16.092 11.669 -12.859 46 H CYS 8 H CYS 8 13.726 4.856 -10.880 47 HA CYS 8 HA CYS 8 15.682 2.976 -10.104 48 HB2 CYS 8 1HB CYS 8 14.876 3.922 -12.863 49 HB3 CYS 8 2HB CYS 8 15.880 2.513 -12.538 50 H GLY 9 H GLY 9 17.791 3.224 -9.802 51 HA2 GLY 9 1HA GLY 9 19.967 3.917 -10.227 52 HA3 GLY 9 2HA GLY 9 19.356 4.947 -11.513 53 H SER 10 H SER 10 18.465 4.881 -8.081 54 HA SER 10 HA SER 10 19.583 7.592 -7.815 55 HB2 SER 10 1HB SER 10 16.811 6.676 -7.416 56 HB3 SER 10 2HB SER 10 17.456 7.655 -6.098 57 HG SER 10 HG SER 10 17.759 8.472 -8.777 58 H GLY 11 H GLY 11 18.605 4.600 -6.226 59 HA2 GLY 11 1HA GLY 11 20.667 5.080 -4.200 60 HA3 GLY 11 2HA GLY 11 19.028 4.774 -3.646 61 H GLY 12 H GLY 12 18.094 2.707 -3.995 62 HA2 GLY 12 1HA GLY 12 20.135 0.605 -4.289 63 HA3 GLY 12 2HA GLY 12 18.621 0.436 -3.412 64 H TRP 13 H TRP 13 17.625 2.024 -5.996 65 HA TRP 13 HA TRP 13 16.738 -0.397 -7.322 66 HB2 TRP 13 1HB TRP 13 16.075 2.399 -8.210 67 HB3 TRP 13 2HB TRP 13 15.122 0.929 -8.393 68 HD1 TRP 13 HD1 TRP 13 15.604 3.866 -6.126 69 HE1 TRP 13 HE1 TRP 13 14.052 3.658 -4.084 70 HE3 TRP 13 HE3 TRP 13 14.083 -0.974 -6.753 71 HZ2 TRP 13 HZ2 TRP 13 12.402 1.700 -2.895 72 HZ3 TRP 13 HZ3 TRP 13 12.517 -1.939 -5.119 73 HH2 TRP 13 HH2 TRP 13 11.695 -0.628 -3.230 74 H GLY 14 H GLY 14 17.620 -1.229 -9.101 75 HA2 GLY 14 1HA GLY 14 19.981 -0.234 -10.239 76 HA3 GLY 14 2HA GLY 14 18.956 -1.471 -10.950 77 HA PRO 15 HA PRO 15 18.930 2.270 -13.709 78 HB2 PRO 15 1HB PRO 15 19.441 0.892 -15.992 79 HB3 PRO 15 2HB PRO 15 20.717 1.499 -14.930 80 HG2 PRO 15 1HG PRO 15 19.566 -1.257 -15.123 81 HG3 PRO 15 2HG PRO 15 21.261 -0.761 -14.965 82 HD2 PRO 15 1HD PRO 15 19.800 -1.645 -12.863 83 HD3 PRO 15 2HD PRO 15 21.084 -0.431 -12.691 84 H CYS 16 H CYS 16 17.803 -0.964 -14.731 85 HA CYS 16 HA CYS 16 15.067 -0.314 -14.669 86 HB2 CYS 16 1HB CYS 16 16.509 0.466 -17.082 87 HB3 CYS 16 2HB CYS 16 15.174 -0.631 -17.421 88 H LEU 17 H LEU 17 14.063 -2.194 -14.429 89 HA LEU 17 HA LEU 17 15.160 -4.564 -15.789 90 HB2 LEU 17 1HB LEU 17 15.791 -4.775 -13.510 91 HB3 LEU 17 2HB LEU 17 14.188 -4.297 -12.955 92 HG LEU 17 HG LEU 17 13.634 -6.552 -14.393 93 HD11 LEU 17 1HD1 LEU 17 15.233 -8.246 -13.807 94 HD12 LEU 17 2HD1 LEU 17 16.219 -7.073 -12.936 95 HD13 LEU 17 3HD1 LEU 17 16.059 -6.961 -14.688 96 HD21 LEU 17 3HD2 LEU 17 13.234 -5.667 -11.886 97 HD22 LEU 17 1HD2 LEU 17 14.369 -6.980 -11.569 98 HD23 LEU 17 2HD2 LEU 17 12.856 -7.308 -12.413 99 HA PRO 18 HA PRO 18 11.073 -5.077 -17.358 100 HB2 PRO 18 1HB PRO 18 11.229 -7.698 -18.046 101 HB3 PRO 18 2HB PRO 18 12.026 -6.415 -18.964 102 HG2 PRO 18 1HG PRO 18 13.176 -8.275 -16.920 103 HG3 PRO 18 2HG PRO 18 13.858 -7.759 -18.473 104 HD2 PRO 18 1HD PRO 18 14.633 -6.682 -16.113 105 HD3 PRO 18 2HD PRO 18 14.601 -5.750 -17.623 106 H ILE 19 H ILE 19 9.249 -5.278 -16.236 107 HA ILE 19 HA ILE 19 9.038 -6.490 -13.731 108 HB ILE 19 HB ILE 19 6.766 -5.968 -15.650 109 HG12 ILE 19 1HG1 ILE 19 8.010 -4.134 -13.589 110 HG13 ILE 19 2HG1 ILE 19 8.174 -3.970 -15.334 111 HG21 ILE 19 1HG2 ILE 19 6.883 -7.023 -12.989 112 HG22 ILE 19 2HG2 ILE 19 6.029 -5.480 -12.984 113 HG23 ILE 19 3HG2 ILE 19 5.483 -6.787 -14.035 114 HD11 ILE 19 3HD1 ILE 19 5.738 -3.565 -13.639 115 HD12 ILE 19 1HD1 ILE 19 6.537 -2.423 -14.719 116 HD13 ILE 19 2HD1 ILE 19 5.639 -3.787 -15.386 117 H VAL 20 H VAL 20 8.928 -7.865 -16.865 118 HA VAL 20 HA VAL 20 7.280 -10.085 -16.482 119 HB VAL 20 HB VAL 20 8.297 -9.336 -18.662 120 HG11 VAL 20 1HG1 VAL 20 10.626 -11.086 -18.253 121 HG12 VAL 20 2HG1 VAL 20 10.485 -9.571 -19.146 122 HG13 VAL 20 3HG1 VAL 20 10.675 -9.548 -17.392 123 HG21 VAL 20 3HG2 VAL 20 7.665 -11.951 -17.729 124 HG22 VAL 20 1HG2 VAL 20 7.466 -11.277 -19.347 125 HG23 VAL 20 2HG2 VAL 20 8.976 -12.074 -18.903 126 H ASP 21 H ASP 21 10.443 -9.397 -15.275 127 HA ASP 21 HA ASP 21 10.676 -12.158 -14.274 128 HB2 ASP 21 1HB ASP 21 12.527 -11.422 -15.754 129 HB3 ASP 21 2HB ASP 21 12.877 -10.112 -14.629 130 H LEU 22 H LEU 22 9.767 -9.140 -13.352 131 HA LEU 22 HA LEU 22 10.988 -8.497 -11.000 132 HB2 LEU 22 1HB LEU 22 8.711 -7.706 -12.294 133 HB3 LEU 22 2HB LEU 22 8.069 -8.396 -10.805 134 HG LEU 22 HG LEU 22 9.725 -6.857 -9.599 135 HD11 LEU 22 1HD1 LEU 22 9.623 -4.885 -11.698 136 HD12 LEU 22 2HD1 LEU 22 10.514 -6.316 -12.214 137 HD13 LEU 22 3HD1 LEU 22 11.000 -5.455 -10.754 138 HD21 LEU 22 3HD2 LEU 22 7.171 -6.612 -9.955 139 HD22 LEU 22 1HD2 LEU 22 7.622 -5.339 -11.090 140 HD23 LEU 22 2HD2 LEU 22 8.100 -5.220 -9.396 141 H LEU 23 H LEU 23 10.436 -8.891 -8.759 142 HA LEU 23 HA LEU 23 9.113 -11.455 -8.239 143 HB2 LEU 23 1HB LEU 23 11.315 -12.181 -8.229 144 HB3 LEU 23 2HB LEU 23 11.910 -10.678 -7.528 145 HG LEU 23 HG LEU 23 10.146 -12.399 -5.861 146 HD11 LEU 23 1HD1 LEU 23 11.642 -14.043 -6.771 147 HD12 LEU 23 2HD1 LEU 23 12.130 -13.683 -5.116 148 HD13 LEU 23 3HD1 LEU 23 13.035 -13.004 -6.469 149 HD21 LEU 23 3HD2 LEU 23 10.730 -10.567 -4.649 150 HD22 LEU 23 1HD2 LEU 23 12.254 -10.344 -5.507 151 HD23 LEU 23 2HD2 LEU 23 12.114 -11.591 -4.268 152 H CYS 24 H CYS 24 9.752 -8.231 -7.400 153 HA CYS 24 HA CYS 24 8.616 -8.562 -4.714 154 HB2 CYS 24 1HB CYS 24 9.501 -5.881 -5.586 155 HB3 CYS 24 2HB CYS 24 9.771 -6.717 -4.061 156 H ILE 25 H ILE 25 7.263 -6.484 -4.096 157 HA ILE 25 HA ILE 25 5.341 -5.974 -6.271 158 HB ILE 25 HB ILE 25 4.635 -6.394 -3.365 159 HG12 ILE 25 1HG1 ILE 25 4.129 -8.183 -5.753 160 HG13 ILE 25 2HG1 ILE 25 5.330 -8.481 -4.501 161 HG21 ILE 25 1HG2 ILE 25 3.256 -5.120 -5.501 162 HG22 ILE 25 2HG2 ILE 25 2.408 -6.612 -5.097 163 HG23 ILE 25 3HG2 ILE 25 2.710 -5.404 -3.849 164 HD11 ILE 25 3HD1 ILE 25 3.786 -9.624 -3.410 165 HD12 ILE 25 1HD1 ILE 25 2.929 -8.106 -3.138 166 HD13 ILE 25 2HD1 ILE 25 2.531 -9.106 -4.535 167 H VAL 26 H VAL 26 6.842 -4.819 -3.305 168 HA VAL 26 HA VAL 26 5.658 -2.178 -3.614 169 HB VAL 26 HB VAL 26 5.994 -3.304 -1.361 170 HG11 VAL 26 1HG1 VAL 26 8.749 -2.267 -1.251 171 HG12 VAL 26 2HG1 VAL 26 8.040 -3.697 -0.497 172 HG13 VAL 26 3HG1 VAL 26 8.522 -3.740 -2.194 173 HG21 VAL 26 3HG2 VAL 26 5.701 -0.772 -1.926 174 HG22 VAL 26 1HG2 VAL 26 6.141 -1.267 -0.291 175 HG23 VAL 26 2HG2 VAL 26 7.378 -0.657 -1.391 176 H HIS 27 H HIS 27 7.830 -3.517 -5.381 177 HA HIS 27 HA HIS 27 10.236 -2.135 -5.132 178 HB2 HIS 27 1HB HIS 27 10.729 -2.833 -7.339 179 HB3 HIS 27 2HB HIS 27 9.690 -4.091 -6.676 180 HD1 HIS 27 HD1 HIS 27 10.135 -3.081 -9.772 181 HD2 HIS 27 HD2 HIS 27 6.800 -2.602 -7.340 182 HE1 HIS 27 HE1 HIS 27 8.198 -2.758 -11.343 183 H VAL 28 H VAL 28 10.817 -0.741 -7.355 184 HA VAL 28 HA VAL 28 8.945 1.537 -7.301 185 HB VAL 28 HB VAL 28 11.943 1.510 -7.167 186 HG11 VAL 28 1HG1 VAL 28 11.581 2.956 -9.006 187 HG12 VAL 28 2HG1 VAL 28 10.190 3.714 -8.229 188 HG13 VAL 28 3HG1 VAL 28 11.814 3.994 -7.601 189 HG21 VAL 28 3HG2 VAL 28 10.616 1.628 -5.091 190 HG22 VAL 28 1HG2 VAL 28 11.589 3.075 -5.353 191 HG23 VAL 28 2HG2 VAL 28 9.857 3.106 -5.681 192 H THR 29 H THR 29 8.462 2.521 -9.214 193 HA THR 29 HA THR 29 9.793 1.518 -11.638 194 HB THR 29 HB THR 29 7.393 1.820 -12.682 195 HG1 THR 29 HG1 THR 29 5.913 2.121 -11.209 196 HG21 THR 29 3HG2 THR 29 6.974 -0.656 -11.684 197 HG22 THR 29 1HG2 THR 29 8.691 -0.460 -11.331 198 HG23 THR 29 2HG2 THR 29 8.108 -0.305 -12.989 199 H VAL 30 H VAL 30 10.460 3.904 -10.414 200 HA VAL 30 HA VAL 30 9.164 5.948 -12.091 201 HB VAL 30 HB VAL 30 10.905 6.462 -9.683 202 HG11 VAL 30 1HG1 VAL 30 9.249 8.127 -11.512 203 HG12 VAL 30 2HG1 VAL 30 9.380 8.604 -9.818 204 HG13 VAL 30 3HG1 VAL 30 10.832 8.455 -10.808 205 HG21 VAL 30 3HG2 VAL 30 9.221 5.552 -8.502 206 HG22 VAL 30 1HG2 VAL 30 8.391 7.066 -8.859 207 HG23 VAL 30 2HG2 VAL 30 8.090 5.640 -9.853 208 H GLY 31 H GLY 31 10.352 7.199 -13.466 209 HA2 GLY 31 1HA GLY 31 12.242 8.060 -14.517 210 HA3 GLY 31 2HA GLY 31 13.247 7.145 -13.402 211 H CYS 32 H CYS 32 11.208 4.882 -14.393 212 HA CYS 32 HA CYS 32 13.015 4.002 -16.525 213 HB2 CYS 32 1HB CYS 32 11.305 2.625 -14.523 214 HB3 CYS 32 2HB CYS 32 11.501 1.831 -16.083 215 H SER 33 H SER 33 11.677 2.362 -18.053 216 HA SER 33 HA SER 33 9.752 4.086 -19.397 217 HB2 SER 33 1HB SER 33 10.409 1.459 -20.583 218 HB3 SER 33 2HB SER 33 10.364 3.056 -21.329 219 HG SER 33 HG SER 33 12.410 3.388 -20.791 220 H GLY 34 H GLY 34 7.654 3.470 -19.942 221 HA2 GLY 34 1HA GLY 34 6.166 2.111 -18.048 222 HA3 GLY 34 2HA GLY 34 5.632 2.408 -19.695 223 H GLY 35 H GLY 35 6.463 0.060 -17.434 224 HA2 GLY 35 1HA GLY 35 5.719 -2.214 -18.087 225 HA3 GLY 35 2HA GLY 35 6.632 -1.978 -19.569 226 H PHE 36 H PHE 36 8.534 -0.525 -17.444 227 HA PHE 36 HA PHE 36 9.848 -2.992 -16.529 228 HB2 PHE 36 1HB PHE 36 11.290 -0.606 -17.702 229 HB3 PHE 36 2HB PHE 36 12.021 -2.111 -17.152 230 HD1 PHE 36 HD1 PHE 36 9.778 -0.645 -19.700 231 HD2 PHE 36 HD2 PHE 36 12.186 -3.970 -18.576 232 HE1 PHE 36 HE1 PHE 36 9.537 -1.580 -21.963 233 HE2 PHE 36 HE2 PHE 36 11.949 -4.910 -20.837 234 HZ PHE 36 HZ PHE 36 10.624 -3.715 -22.534 235 H GLY 37 H GLY 37 10.432 -2.976 -14.448 236 HA2 GLY 37 1HA GLY 37 10.487 -0.364 -13.065 237 HA3 GLY 37 2HA GLY 37 9.796 -1.810 -12.344 238 H CYS 38 H CYS 38 11.388 -1.025 -10.641 239 HA CYS 38 HA CYS 38 13.838 -2.582 -10.955 240 HB2 CYS 38 1HB CYS 38 13.971 0.197 -9.800 241 HB3 CYS 38 2HB CYS 38 15.302 -0.848 -10.285 242 H CYS 39 H CYS 39 14.611 -3.465 -9.064 243 HA CYS 39 HA CYS 39 12.956 -3.003 -6.669 244 HB2 CYS 39 1HB CYS 39 13.023 -5.321 -7.997 245 HB3 CYS 39 2HB CYS 39 14.445 -5.560 -6.986 246 H ARG 40 H ARG 40 14.120 -3.675 -4.608 247 HA ARG 40 HA ARG 40 16.438 -2.097 -4.316 248 HB2 ARG 40 1HB ARG 40 15.425 -4.244 -2.445 249 HB3 ARG 40 2HB ARG 40 16.506 -2.920 -2.033 250 HG2 ARG 40 1HG ARG 40 13.791 -2.344 -3.133 251 HG3 ARG 40 2HG ARG 40 13.993 -2.764 -1.431 252 HD2 ARG 40 1HD ARG 40 15.521 -0.562 -2.808 253 HD3 ARG 40 2HD ARG 40 14.011 -0.305 -1.935 254 HE ARG 40 HE ARG 40 15.372 -1.406 -0.013 255 HH11 ARG 40 1HH1 ARG 40 16.564 0.813 -2.417 256 HH12 ARG 40 2HH1 ARG 40 17.794 1.469 -1.389 257 HH21 ARG 40 1HH2 ARG 40 16.989 -0.549 1.350 258 HH22 ARG 40 2HH2 ARG 40 18.036 0.694 0.753 259 H ILE 41 H ILE 41 18.371 -2.576 -5.112 260 HA ILE 41 HA ILE 41 19.211 -5.391 -5.217 261 HB ILE 41 HB ILE 41 20.308 -3.006 -6.710 262 HG12 ILE 41 1HG1 ILE 41 18.692 -5.378 -7.670 263 HG13 ILE 41 2HG1 ILE 41 18.088 -3.734 -7.489 264 HG21 ILE 41 1HG2 ILE 41 22.133 -4.211 -7.080 265 HG22 ILE 41 2HG2 ILE 41 21.478 -5.538 -6.123 266 HG23 ILE 41 3HG2 ILE 41 21.143 -5.449 -7.852 267 HD11 ILE 41 3HD1 ILE 41 20.411 -3.662 -9.121 268 HD12 ILE 41 1HD1 ILE 41 19.329 -4.915 -9.729 269 HD13 ILE 41 2HD1 ILE 41 18.745 -3.261 -9.541 270 H GLY 42 H GLY 42 20.519 -2.148 -4.511 271 HA2 GLY 42 1HA GLY 42 22.184 -3.377 -2.422 272 HA3 GLY 42 2HA GLY 42 22.947 -2.355 -3.631 Start of MODEL 18 1 H1 ASP 1 1H ASP 1 1.698 0.329 -0.872 2 HA ASP 1 HA ASP 1 3.306 1.024 -2.324 3 HB2 ASP 1 1HB ASP 1 2.470 2.456 -4.297 4 HB3 ASP 1 2HB ASP 1 1.842 0.818 -4.145 5 H ASP 2 H ASP 2 3.289 2.366 0.005 6 HA ASP 2 HA ASP 2 3.544 5.211 -0.682 7 HB2 ASP 2 1HB ASP 2 3.519 3.947 2.066 8 HB3 ASP 2 2HB ASP 2 3.431 5.666 1.693 9 H THR 3 H THR 3 5.560 4.636 -1.825 10 HA THR 3 HA THR 3 7.821 3.963 -0.107 11 HB THR 3 HB THR 3 8.976 4.342 -2.509 12 HG1 THR 3 HG1 THR 3 7.497 4.509 -4.004 13 HG21 THR 3 3HG2 THR 3 9.412 2.254 -1.786 14 HG22 THR 3 1HG2 THR 3 8.069 1.793 -2.831 15 HG23 THR 3 2HG2 THR 3 7.798 2.046 -1.107 16 HA PRO 4 HA PRO 4 9.412 8.032 0.304 17 HB2 PRO 4 1HB PRO 4 12.086 7.632 0.064 18 HB3 PRO 4 2HB PRO 4 11.162 7.123 1.482 19 HG2 PRO 4 1HG PRO 4 12.073 5.504 -0.865 20 HG3 PRO 4 2HG PRO 4 12.100 5.089 0.859 21 HD2 PRO 4 1HD PRO 4 10.193 4.173 -0.832 22 HD3 PRO 4 2HD PRO 4 9.870 4.507 0.881 23 H SER 5 H SER 5 11.406 9.396 -0.764 24 HA SER 5 HA SER 5 10.559 9.793 -3.492 25 HB2 SER 5 1HB SER 5 12.300 11.672 -3.376 26 HB3 SER 5 2HB SER 5 10.919 11.797 -2.286 27 HG SER 5 HG SER 5 13.382 11.931 -1.583 28 H SER 6 H SER 6 11.526 7.391 -3.650 29 HA SER 6 HA SER 6 14.303 7.623 -4.599 30 HB2 SER 6 1HB SER 6 12.737 5.309 -3.483 31 HB3 SER 6 2HB SER 6 14.175 5.038 -4.467 32 HG SER 6 HG SER 6 14.954 5.161 -2.446 33 H ARG 7 H ARG 7 14.881 6.494 -6.552 34 HA ARG 7 HA ARG 7 12.705 5.692 -8.313 35 HB2 ARG 7 1HB ARG 7 14.631 7.914 -9.019 36 HB3 ARG 7 2HB ARG 7 13.488 7.174 -10.131 37 HG2 ARG 7 1HG ARG 7 11.644 7.939 -8.651 38 HG3 ARG 7 2HG ARG 7 12.843 8.798 -7.682 39 HD2 ARG 7 1HD ARG 7 12.262 9.248 -10.608 40 HD3 ARG 7 2HD ARG 7 11.767 10.295 -9.278 41 HE ARG 7 HE ARG 7 13.961 11.048 -9.073 42 HH11 ARG 7 1HH1 ARG 7 13.694 8.556 -11.490 43 HH12 ARG 7 2HH1 ARG 7 15.251 8.874 -12.178 44 HH21 ARG 7 1HH2 ARG 7 16.014 11.477 -9.971 45 HH22 ARG 7 2HH2 ARG 7 16.571 10.535 -11.313 46 H CYS 8 H CYS 8 13.563 4.808 -10.403 47 HA CYS 8 HA CYS 8 15.520 2.855 -9.895 48 HB2 CYS 8 1HB CYS 8 14.399 3.848 -12.524 49 HB3 CYS 8 2HB CYS 8 15.384 2.400 -12.341 50 H GLY 9 H GLY 9 17.605 3.273 -9.562 51 HA2 GLY 9 1HA GLY 9 19.772 3.801 -10.266 52 HA3 GLY 9 2HA GLY 9 19.089 4.727 -11.596 53 H SER 10 H SER 10 17.926 5.255 -8.375 54 HA SER 10 HA SER 10 19.383 7.817 -8.313 55 HB2 SER 10 1HB SER 10 16.897 7.985 -8.665 56 HB3 SER 10 2HB SER 10 16.680 7.260 -7.072 57 HG SER 10 HG SER 10 18.077 9.066 -6.332 58 H GLY 11 H GLY 11 18.503 4.940 -6.598 59 HA2 GLY 11 1HA GLY 11 20.293 5.746 -4.417 60 HA3 GLY 11 2HA GLY 11 18.668 5.215 -4.008 61 H GLY 12 H GLY 12 18.174 3.055 -4.019 62 HA2 GLY 12 1HA GLY 12 20.484 1.261 -4.351 63 HA3 GLY 12 2HA GLY 12 19.078 0.935 -3.349 64 H TRP 13 H TRP 13 17.690 2.172 -5.952 65 HA TRP 13 HA TRP 13 17.078 -0.443 -7.043 66 HB2 TRP 13 1HB TRP 13 15.974 2.182 -8.027 67 HB3 TRP 13 2HB TRP 13 15.243 0.582 -8.122 68 HD1 TRP 13 HD1 TRP 13 15.574 3.582 -5.841 69 HE1 TRP 13 HE1 TRP 13 14.083 3.242 -3.771 70 HE3 TRP 13 HE3 TRP 13 14.298 -1.317 -6.555 71 HZ2 TRP 13 HZ2 TRP 13 12.566 1.172 -2.596 72 HZ3 TRP 13 HZ3 TRP 13 12.823 -2.403 -4.911 73 HH2 TRP 13 HH2 TRP 13 11.977 -1.183 -2.973 74 H GLY 14 H GLY 14 17.697 -1.222 -8.987 75 HA2 GLY 14 1HA GLY 14 19.955 -0.198 -10.281 76 HA3 GLY 14 2HA GLY 14 18.869 -1.407 -10.951 77 HA PRO 15 HA PRO 15 18.668 2.466 -13.538 78 HB2 PRO 15 1HB PRO 15 19.128 1.217 -15.904 79 HB3 PRO 15 2HB PRO 15 20.427 1.815 -14.865 80 HG2 PRO 15 1HG PRO 15 19.354 -0.966 -15.147 81 HG3 PRO 15 2HG PRO 15 21.038 -0.423 -15.033 82 HD2 PRO 15 1HD PRO 15 19.693 -1.454 -12.921 83 HD3 PRO 15 2HD PRO 15 20.945 -0.208 -12.740 84 H CYS 16 H CYS 16 17.587 -0.760 -14.630 85 HA CYS 16 HA CYS 16 14.845 -0.216 -14.434 86 HB2 CYS 16 1HB CYS 16 16.138 0.780 -16.849 87 HB3 CYS 16 2HB CYS 16 14.844 -0.358 -17.208 88 H LEU 17 H LEU 17 13.909 -2.142 -14.290 89 HA LEU 17 HA LEU 17 15.040 -4.380 -15.832 90 HB2 LEU 17 1HB LEU 17 15.755 -4.703 -13.587 91 HB3 LEU 17 2HB LEU 17 14.151 -4.329 -12.958 92 HG LEU 17 HG LEU 17 13.640 -6.510 -14.517 93 HD11 LEU 17 1HD1 LEU 17 15.316 -8.149 -14.213 94 HD12 LEU 17 2HD1 LEU 17 16.248 -7.103 -13.143 95 HD13 LEU 17 3HD1 LEU 17 16.128 -6.724 -14.861 96 HD21 LEU 17 3HD2 LEU 17 12.983 -7.438 -12.563 97 HD22 LEU 17 1HD2 LEU 17 13.284 -5.811 -11.954 98 HD23 LEU 17 2HD2 LEU 17 14.503 -7.068 -11.748 99 HA PRO 18 HA PRO 18 10.924 -4.945 -17.300 100 HB2 PRO 18 1HB PRO 18 11.149 -7.510 -18.159 101 HB3 PRO 18 2HB PRO 18 11.867 -6.143 -19.018 102 HG2 PRO 18 1HG PRO 18 13.152 -8.083 -17.135 103 HG3 PRO 18 2HG PRO 18 13.762 -7.446 -18.673 104 HD2 PRO 18 1HD PRO 18 14.578 -6.491 -16.274 105 HD3 PRO 18 2HD PRO 18 14.462 -5.468 -17.720 106 H ILE 19 H ILE 19 9.146 -5.287 -16.138 107 HA ILE 19 HA ILE 19 9.059 -6.652 -13.708 108 HB ILE 19 HB ILE 19 6.705 -6.130 -15.524 109 HG12 ILE 19 1HG1 ILE 19 7.967 -4.344 -13.432 110 HG13 ILE 19 2HG1 ILE 19 8.018 -4.084 -15.172 111 HG21 ILE 19 1HG2 ILE 19 5.500 -7.053 -13.907 112 HG22 ILE 19 2HG2 ILE 19 6.952 -7.326 -12.945 113 HG23 ILE 19 3HG2 ILE 19 6.070 -5.806 -12.798 114 HD11 ILE 19 3HD1 ILE 19 5.679 -3.873 -13.315 115 HD12 ILE 19 1HD1 ILE 19 6.353 -2.651 -14.392 116 HD13 ILE 19 2HD1 ILE 19 5.474 -4.027 -15.059 117 H VAL 20 H VAL 20 8.902 -7.846 -16.915 118 HA VAL 20 HA VAL 20 7.363 -10.154 -16.615 119 HB VAL 20 HB VAL 20 8.279 -9.236 -18.776 120 HG11 VAL 20 1HG1 VAL 20 10.693 -10.910 -18.502 121 HG12 VAL 20 2HG1 VAL 20 10.458 -9.385 -19.357 122 HG13 VAL 20 3HG1 VAL 20 10.697 -9.389 -17.610 123 HG21 VAL 20 3HG2 VAL 20 8.574 -12.169 -18.150 124 HG22 VAL 20 1HG2 VAL 20 7.158 -11.341 -18.798 125 HG23 VAL 20 2HG2 VAL 20 8.610 -11.507 -19.785 126 H ASP 21 H ASP 21 10.516 -9.396 -15.441 127 HA ASP 21 HA ASP 21 10.896 -12.199 -14.615 128 HB2 ASP 21 1HB ASP 21 12.754 -10.157 -15.636 129 HB3 ASP 21 2HB ASP 21 13.338 -11.031 -14.222 130 H LEU 22 H LEU 22 9.903 -9.274 -13.500 131 HA LEU 22 HA LEU 22 11.179 -8.706 -11.158 132 HB2 LEU 22 1HB LEU 22 8.818 -7.957 -12.331 133 HB3 LEU 22 2HB LEU 22 8.272 -8.737 -10.848 134 HG LEU 22 HG LEU 22 9.942 -7.176 -9.662 135 HD11 LEU 22 1HD1 LEU 22 9.548 -5.176 -11.742 136 HD12 LEU 22 2HD1 LEU 22 10.608 -6.497 -12.235 137 HD13 LEU 22 3HD1 LEU 22 10.983 -5.558 -10.790 138 HD21 LEU 22 3HD2 LEU 22 7.338 -7.068 -9.891 139 HD22 LEU 22 1HD2 LEU 22 7.689 -5.666 -10.901 140 HD23 LEU 22 2HD2 LEU 22 8.234 -5.703 -9.224 141 H LEU 23 H LEU 23 10.746 -9.250 -8.929 142 HA LEU 23 HA LEU 23 9.531 -11.883 -8.498 143 HB2 LEU 23 1HB LEU 23 11.754 -12.532 -8.624 144 HB3 LEU 23 2HB LEU 23 12.332 -11.049 -7.866 145 HG LEU 23 HG LEU 23 10.700 -12.916 -6.222 146 HD11 LEU 23 1HD1 LEU 23 12.424 -14.421 -5.808 147 HD12 LEU 23 2HD1 LEU 23 13.640 -13.386 -6.555 148 HD13 LEU 23 3HD1 LEU 23 12.460 -14.226 -7.560 149 HD21 LEU 23 3HD2 LEU 23 11.287 -11.133 -4.939 150 HD22 LEU 23 1HD2 LEU 23 12.765 -10.821 -5.849 151 HD23 LEU 23 2HD2 LEU 23 12.714 -12.136 -4.675 152 H CYS 24 H CYS 24 10.126 -8.691 -7.496 153 HA CYS 24 HA CYS 24 9.124 -9.206 -4.787 154 HB2 CYS 24 1HB CYS 24 9.872 -6.453 -5.566 155 HB3 CYS 24 2HB CYS 24 10.230 -7.344 -4.091 156 H ILE 25 H ILE 25 7.722 -7.229 -3.991 157 HA ILE 25 HA ILE 25 5.676 -6.685 -6.041 158 HB ILE 25 HB ILE 25 5.151 -7.280 -3.126 159 HG12 ILE 25 1HG1 ILE 25 4.429 -8.947 -5.541 160 HG13 ILE 25 2HG1 ILE 25 5.849 -9.245 -4.546 161 HG21 ILE 25 1HG2 ILE 25 3.609 -5.930 -5.101 162 HG22 ILE 25 2HG2 ILE 25 2.826 -7.464 -4.725 163 HG23 ILE 25 3HG2 ILE 25 3.178 -6.315 -3.435 164 HD11 ILE 25 3HD1 ILE 25 2.966 -9.422 -3.719 165 HD12 ILE 25 1HD1 ILE 25 4.136 -10.735 -3.852 166 HD13 ILE 25 2HD1 ILE 25 4.321 -9.513 -2.594 167 H VAL 26 H VAL 26 7.292 -5.609 -3.106 168 HA VAL 26 HA VAL 26 5.997 -3.004 -3.227 169 HB VAL 26 HB VAL 26 6.493 -4.219 -1.050 170 HG11 VAL 26 1HG1 VAL 26 8.642 -4.327 -0.187 171 HG12 VAL 26 2HG1 VAL 26 8.891 -4.730 -1.887 172 HG13 VAL 26 3HG1 VAL 26 9.260 -3.107 -1.300 173 HG21 VAL 26 3HG2 VAL 26 7.795 -1.547 -0.951 174 HG22 VAL 26 1HG2 VAL 26 6.131 -1.646 -1.528 175 HG23 VAL 26 2HG2 VAL 26 6.543 -2.233 0.083 176 H HIS 27 H HIS 27 8.116 -4.174 -5.167 177 HA HIS 27 HA HIS 27 10.482 -2.716 -4.977 178 HB2 HIS 27 1HB HIS 27 10.883 -3.296 -7.232 179 HB3 HIS 27 2HB HIS 27 9.913 -4.617 -6.586 180 HD1 HIS 27 HD1 HIS 27 10.181 -3.421 -9.642 181 HD2 HIS 27 HD2 HIS 27 6.951 -3.204 -7.038 182 HE1 HIS 27 HE1 HIS 27 8.161 -3.085 -11.102 183 H VAL 28 H VAL 28 10.889 -1.200 -7.161 184 HA VAL 28 HA VAL 28 8.947 1.002 -6.893 185 HB VAL 28 HB VAL 28 11.947 1.083 -6.934 186 HG11 VAL 28 1HG1 VAL 28 10.054 3.272 -7.761 187 HG12 VAL 28 2HG1 VAL 28 11.709 3.576 -7.228 188 HG13 VAL 28 3HG1 VAL 28 11.410 2.605 -8.670 189 HG21 VAL 28 3HG2 VAL 28 11.643 2.547 -5.022 190 HG22 VAL 28 1HG2 VAL 28 9.894 2.503 -5.240 191 HG23 VAL 28 2HG2 VAL 28 10.762 1.039 -4.777 192 H THR 29 H THR 29 8.398 2.135 -8.727 193 HA THR 29 HA THR 29 9.596 1.269 -11.266 194 HB THR 29 HB THR 29 7.144 1.531 -12.175 195 HG1 THR 29 HG1 THR 29 5.803 1.853 -10.563 196 HG21 THR 29 3HG2 THR 29 8.554 -0.763 -10.962 197 HG22 THR 29 1HG2 THR 29 7.917 -0.558 -12.593 198 HG23 THR 29 2HG2 THR 29 6.833 -0.990 -11.270 199 H VAL 30 H VAL 30 10.249 3.613 -9.951 200 HA VAL 30 HA VAL 30 8.799 5.694 -11.445 201 HB VAL 30 HB VAL 30 10.694 6.208 -9.164 202 HG11 VAL 30 1HG1 VAL 30 8.595 7.780 -10.613 203 HG12 VAL 30 2HG1 VAL 30 9.103 8.226 -8.983 204 HG13 VAL 30 3HG1 VAL 30 10.279 8.198 -10.298 205 HG21 VAL 30 3HG2 VAL 30 9.250 5.136 -7.829 206 HG22 VAL 30 1HG2 VAL 30 8.188 6.518 -8.101 207 HG23 VAL 30 2HG2 VAL 30 8.009 5.061 -9.079 208 H GLY 31 H GLY 31 9.853 7.018 -12.849 209 HA2 GLY 31 1HA GLY 31 11.638 7.989 -13.982 210 HA3 GLY 31 2HA GLY 31 12.744 7.101 -12.944 211 H CYS 32 H CYS 32 10.737 4.780 -13.908 212 HA CYS 32 HA CYS 32 12.494 4.012 -16.121 213 HB2 CYS 32 1HB CYS 32 10.858 2.531 -14.125 214 HB3 CYS 32 2HB CYS 32 11.069 1.787 -15.707 215 H SER 33 H SER 33 11.165 2.393 -17.667 216 HA SER 33 HA SER 33 9.207 4.109 -18.948 217 HB2 SER 33 1HB SER 33 11.023 2.004 -19.782 218 HB3 SER 33 2HB SER 33 9.401 1.740 -20.422 219 HG SER 33 HG SER 33 11.252 3.567 -21.153 220 H GLY 34 H GLY 34 7.117 3.379 -19.617 221 HA2 GLY 34 1HA GLY 34 5.631 2.132 -17.595 222 HA3 GLY 34 2HA GLY 34 5.065 2.428 -19.233 223 H GLY 35 H GLY 35 6.330 0.103 -17.014 224 HA2 GLY 35 1HA GLY 35 5.413 -2.187 -17.573 225 HA3 GLY 35 2HA GLY 35 6.209 -1.961 -19.123 226 H PHE 36 H PHE 36 8.188 -0.492 -17.002 227 HA PHE 36 HA PHE 36 9.632 -2.958 -16.305 228 HB2 PHE 36 1HB PHE 36 10.921 -0.446 -17.391 229 HB3 PHE 36 2HB PHE 36 11.743 -1.939 -16.950 230 HD1 PHE 36 HD1 PHE 36 9.326 -0.462 -19.327 231 HD2 PHE 36 HD2 PHE 36 11.946 -3.708 -18.477 232 HE1 PHE 36 HE1 PHE 36 9.038 -1.292 -21.625 233 HE2 PHE 36 HE2 PHE 36 11.662 -4.542 -20.774 234 HZ PHE 36 HZ PHE 36 10.207 -3.334 -22.352 235 H GLY 37 H GLY 37 10.312 -3.049 -14.255 236 HA2 GLY 37 1HA GLY 37 10.318 -0.531 -12.706 237 HA3 GLY 37 2HA GLY 37 9.729 -2.051 -12.052 238 H CYS 38 H CYS 38 11.346 -1.354 -10.360 239 HA CYS 38 HA CYS 38 13.832 -2.780 -10.864 240 HB2 CYS 38 1HB CYS 38 15.043 -0.814 -9.656 241 HB3 CYS 38 2HB CYS 38 14.709 -0.690 -11.380 242 H CYS 39 H CYS 39 14.713 -3.711 -9.048 243 HA CYS 39 HA CYS 39 13.180 -3.354 -6.556 244 HB2 CYS 39 1HB CYS 39 13.264 -5.635 -7.964 245 HB3 CYS 39 2HB CYS 39 14.720 -5.857 -7.000 246 H ARG 40 H ARG 40 14.458 -4.019 -4.573 247 HA ARG 40 HA ARG 40 16.726 -2.383 -4.332 248 HB2 ARG 40 1HB ARG 40 15.880 -4.664 -2.536 249 HB3 ARG 40 2HB ARG 40 16.982 -3.363 -2.107 250 HG2 ARG 40 1HG ARG 40 14.174 -2.788 -2.972 251 HG3 ARG 40 2HG ARG 40 14.553 -3.225 -1.305 252 HD2 ARG 40 1HD ARG 40 15.974 -1.004 -2.748 253 HD3 ARG 40 2HD ARG 40 14.469 -0.741 -1.867 254 HE ARG 40 HE ARG 40 15.850 -1.816 0.057 255 HH11 ARG 40 1HH1 ARG 40 17.009 0.385 -2.379 256 HH12 ARG 40 2HH1 ARG 40 18.243 1.061 -1.367 257 HH21 ARG 40 1HH2 ARG 40 17.471 -0.934 1.399 258 HH22 ARG 40 2HH2 ARG 40 18.505 0.309 0.781 259 H ILE 41 H ILE 41 18.702 -2.705 -5.087 260 HA ILE 41 HA ILE 41 19.634 -5.470 -5.478 261 HB ILE 41 HB ILE 41 20.581 -2.935 -6.821 262 HG12 ILE 41 1HG1 ILE 41 19.315 -5.260 -8.223 263 HG13 ILE 41 2HG1 ILE 41 18.291 -4.082 -7.408 264 HG21 ILE 41 1HG2 ILE 41 21.755 -4.693 -8.306 265 HG22 ILE 41 2HG2 ILE 41 22.474 -4.273 -6.752 266 HG23 ILE 41 3HG2 ILE 41 21.549 -5.765 -6.920 267 HD11 ILE 41 3HD1 ILE 41 20.102 -3.697 -9.754 268 HD12 ILE 41 1HD1 ILE 41 18.385 -3.330 -9.598 269 HD13 ILE 41 2HD1 ILE 41 19.579 -2.332 -8.768 270 H GLY 42 H GLY 42 20.831 -2.232 -4.575 271 HA2 GLY 42 1HA GLY 42 23.311 -3.149 -3.561 272 HA3 GLY 42 2HA GLY 42 22.573 -1.590 -3.222 Start of MODEL 19 1 H1 ASP 1 1H ASP 1 4.885 -0.244 -2.920 2 HA ASP 1 HA ASP 1 2.152 -0.291 -1.928 3 HB2 ASP 1 1HB ASP 1 3.371 -2.462 -1.261 4 HB3 ASP 1 2HB ASP 1 4.320 -1.442 -0.185 5 H ASP 2 H ASP 2 3.015 1.997 -2.551 6 HA ASP 2 HA ASP 2 3.509 4.104 -1.850 7 HB2 ASP 2 1HB ASP 2 2.657 2.693 0.592 8 HB3 ASP 2 2HB ASP 2 3.624 4.137 0.876 9 H THR 3 H THR 3 5.607 4.066 -2.704 10 HA THR 3 HA THR 3 7.781 3.368 -0.867 11 HB THR 3 HB THR 3 9.067 4.058 -3.147 12 HG1 THR 3 HG1 THR 3 7.573 4.261 -4.645 13 HG21 THR 3 3HG2 THR 3 9.726 1.991 -2.576 14 HG22 THR 3 1HG2 THR 3 8.444 1.425 -3.646 15 HG23 THR 3 2HG2 THR 3 8.145 1.577 -1.914 16 HA PRO 4 HA PRO 4 8.948 7.515 -0.029 17 HB2 PRO 4 1HB PRO 4 11.658 7.367 -0.058 18 HB3 PRO 4 2HB PRO 4 10.672 6.671 1.233 19 HG2 PRO 4 1HG PRO 4 11.920 5.326 -1.133 20 HG3 PRO 4 2HG PRO 4 11.843 4.781 0.552 21 HD2 PRO 4 1HD PRO 4 10.175 3.838 -1.361 22 HD3 PRO 4 2HD PRO 4 9.683 4.008 0.336 23 H SER 5 H SER 5 10.806 9.170 -0.812 24 HA SER 5 HA SER 5 10.175 9.693 -3.566 25 HB2 SER 5 1HB SER 5 11.941 11.159 -1.593 26 HB3 SER 5 2HB SER 5 11.578 11.738 -3.219 27 HG SER 5 HG SER 5 10.018 11.744 -0.955 28 H SER 6 H SER 6 11.311 7.465 -3.976 29 HA SER 6 HA SER 6 14.177 7.895 -4.470 30 HB2 SER 6 1HB SER 6 12.644 5.287 -4.546 31 HB3 SER 6 2HB SER 6 14.395 5.488 -4.605 32 HG SER 6 HG SER 6 14.249 6.398 -2.484 33 H ARG 7 H ARG 7 14.606 6.026 -6.443 34 HA ARG 7 HA ARG 7 12.874 6.089 -8.632 35 HB2 ARG 7 1HB ARG 7 13.170 8.449 -8.777 36 HB3 ARG 7 2HB ARG 7 14.910 8.312 -8.562 37 HG2 ARG 7 1HG ARG 7 15.277 7.866 -10.734 38 HG3 ARG 7 2HG ARG 7 13.816 6.888 -10.889 39 HD2 ARG 7 1HD ARG 7 12.553 8.644 -11.535 40 HD3 ARG 7 2HD ARG 7 13.378 9.767 -10.454 41 HE ARG 7 HE ARG 7 13.977 9.270 -13.210 42 HH11 ARG 7 1HH1 ARG 7 15.308 10.277 -10.155 43 HH12 ARG 7 2HH1 ARG 7 16.599 11.186 -10.869 44 HH21 ARG 7 1HH2 ARG 7 15.672 10.463 -14.162 45 HH22 ARG 7 2HH2 ARG 7 16.805 11.292 -13.148 46 H CYS 8 H CYS 8 13.647 4.876 -10.336 47 HA CYS 8 HA CYS 8 15.644 3.024 -9.863 48 HB2 CYS 8 1HB CYS 8 14.484 4.011 -12.472 49 HB3 CYS 8 2HB CYS 8 15.582 2.639 -12.364 50 H GLY 9 H GLY 9 17.784 3.157 -9.795 51 HA2 GLY 9 1HA GLY 9 19.940 3.759 -10.370 52 HA3 GLY 9 2HA GLY 9 19.279 4.692 -11.705 53 H SER 10 H SER 10 18.079 5.269 -8.514 54 HA SER 10 HA SER 10 19.605 7.790 -8.434 55 HB2 SER 10 1HB SER 10 17.133 8.022 -8.843 56 HB3 SER 10 2HB SER 10 16.862 7.317 -7.249 57 HG SER 10 HG SER 10 16.922 9.689 -7.383 58 H GLY 11 H GLY 11 18.665 4.929 -6.748 59 HA2 GLY 11 1HA GLY 11 20.413 5.702 -4.529 60 HA3 GLY 11 2HA GLY 11 18.765 5.230 -4.144 61 H GLY 12 H GLY 12 18.227 3.096 -4.070 62 HA2 GLY 12 1HA GLY 12 20.470 1.221 -4.383 63 HA3 GLY 12 2HA GLY 12 19.044 0.953 -3.392 64 H TRP 13 H TRP 13 17.725 2.203 -6.025 65 HA TRP 13 HA TRP 13 17.036 -0.404 -7.090 66 HB2 TRP 13 1HB TRP 13 16.031 2.236 -8.133 67 HB3 TRP 13 2HB TRP 13 15.243 0.662 -8.189 68 HD1 TRP 13 HD1 TRP 13 15.677 3.706 -5.984 69 HE1 TRP 13 HE1 TRP 13 14.165 3.476 -3.914 70 HE3 TRP 13 HE3 TRP 13 14.219 -1.158 -6.580 71 HZ2 TRP 13 HZ2 TRP 13 12.566 1.495 -2.694 72 HZ3 TRP 13 HZ3 TRP 13 12.697 -2.145 -4.917 73 HH2 TRP 13 HH2 TRP 13 11.890 -0.844 -3.015 74 H GLY 14 H GLY 14 17.662 -1.234 -9.008 75 HA2 GLY 14 1HA GLY 14 19.960 -0.284 -10.295 76 HA3 GLY 14 2HA GLY 14 18.860 -1.488 -10.948 77 HA PRO 15 HA PRO 15 18.755 2.309 -13.643 78 HB2 PRO 15 1HB PRO 15 19.169 0.976 -15.971 79 HB3 PRO 15 2HB PRO 15 20.489 1.563 -14.953 80 HG2 PRO 15 1HG PRO 15 19.328 -1.190 -15.150 81 HG3 PRO 15 2HG PRO 15 21.029 -0.697 -15.054 82 HD2 PRO 15 1HD PRO 15 19.657 -1.621 -12.910 83 HD3 PRO 15 2HD PRO 15 20.948 -0.411 -12.768 84 H CYS 16 H CYS 16 17.591 -0.900 -14.702 85 HA CYS 16 HA CYS 16 14.858 -0.265 -14.499 86 HB2 CYS 16 1HB CYS 16 16.189 0.598 -16.948 87 HB3 CYS 16 2HB CYS 16 14.843 -0.493 -17.263 88 H LEU 17 H LEU 17 13.874 -2.158 -14.275 89 HA LEU 17 HA LEU 17 14.914 -4.476 -15.763 90 HB2 LEU 17 1HB LEU 17 15.657 -4.749 -13.519 91 HB3 LEU 17 2HB LEU 17 14.074 -4.314 -12.878 92 HG LEU 17 HG LEU 17 13.480 -6.525 -14.364 93 HD11 LEU 17 1HD1 LEU 17 15.922 -7.411 -12.932 94 HD12 LEU 17 2HD1 LEU 17 16.122 -6.654 -14.512 95 HD13 LEU 17 3HD1 LEU 17 15.123 -8.098 -14.347 96 HD21 LEU 17 3HD2 LEU 17 12.575 -6.928 -12.379 97 HD22 LEU 17 1HD2 LEU 17 13.659 -5.768 -11.609 98 HD23 LEU 17 2HD2 LEU 17 14.155 -7.451 -11.794 99 HA PRO 18 HA PRO 18 10.756 -4.954 -17.145 100 HB2 PRO 18 1HB PRO 18 10.891 -7.547 -17.939 101 HB3 PRO 18 2HB PRO 18 11.633 -6.224 -18.846 102 HG2 PRO 18 1HG PRO 18 12.895 -8.151 -16.934 103 HG3 PRO 18 2HG PRO 18 13.496 -7.573 -18.499 104 HD2 PRO 18 1HD PRO 18 14.382 -6.580 -16.142 105 HD3 PRO 18 2HD PRO 18 14.270 -5.591 -17.612 106 H ILE 19 H ILE 19 8.997 -5.203 -15.932 107 HA ILE 19 HA ILE 19 8.917 -6.510 -13.470 108 HB ILE 19 HB ILE 19 6.550 -5.936 -15.255 109 HG12 ILE 19 1HG1 ILE 19 7.876 -4.174 -13.182 110 HG13 ILE 19 2HG1 ILE 19 7.962 -3.940 -14.925 111 HG21 ILE 19 1HG2 ILE 19 6.804 -7.088 -12.643 112 HG22 ILE 19 2HG2 ILE 19 5.933 -5.558 -12.544 113 HG23 ILE 19 3HG2 ILE 19 5.355 -6.835 -13.615 114 HD11 ILE 19 3HD1 ILE 19 5.373 -3.863 -14.771 115 HD12 ILE 19 1HD1 ILE 19 5.671 -3.515 -13.068 116 HD13 ILE 19 2HD1 ILE 19 6.326 -2.451 -14.314 117 H VAL 20 H VAL 20 8.647 -7.770 -16.645 118 HA VAL 20 HA VAL 20 7.040 -10.018 -16.255 119 HB VAL 20 HB VAL 20 7.931 -9.178 -18.458 120 HG11 VAL 20 1HG1 VAL 20 10.087 -9.408 -19.088 121 HG12 VAL 20 2HG1 VAL 20 10.373 -9.392 -17.346 122 HG13 VAL 20 3HG1 VAL 20 10.293 -10.926 -18.214 123 HG21 VAL 20 3HG2 VAL 20 8.464 -12.113 -18.119 124 HG22 VAL 20 1HG2 VAL 20 6.837 -11.445 -17.991 125 HG23 VAL 20 2HG2 VAL 20 7.746 -11.271 -19.492 126 H ASP 21 H ASP 21 10.246 -9.338 -15.177 127 HA ASP 21 HA ASP 21 10.564 -12.135 -14.308 128 HB2 ASP 21 1HB ASP 21 12.330 -11.322 -15.845 129 HB3 ASP 21 2HB ASP 21 12.718 -10.046 -14.694 130 H LEU 22 H LEU 22 9.685 -9.156 -13.222 131 HA LEU 22 HA LEU 22 11.016 -8.612 -10.903 132 HB2 LEU 22 1HB LEU 22 8.674 -7.777 -12.060 133 HB3 LEU 22 2HB LEU 22 8.116 -8.509 -10.557 134 HG LEU 22 HG LEU 22 9.772 -7.010 -9.366 135 HD11 LEU 22 1HD1 LEU 22 9.811 -4.960 -11.340 136 HD12 LEU 22 2HD1 LEU 22 10.517 -6.422 -12.027 137 HD13 LEU 22 3HD1 LEU 22 11.167 -5.748 -10.533 138 HD21 LEU 22 3HD2 LEU 22 7.211 -6.657 -9.836 139 HD22 LEU 22 1HD2 LEU 22 7.800 -5.320 -10.824 140 HD23 LEU 22 2HD2 LEU 22 8.182 -5.380 -9.103 141 H LEU 23 H LEU 23 10.571 -9.101 -8.660 142 HA LEU 23 HA LEU 23 9.255 -11.676 -8.183 143 HB2 LEU 23 1HB LEU 23 11.442 -12.427 -8.309 144 HB3 LEU 23 2HB LEU 23 12.094 -10.953 -7.596 145 HG LEU 23 HG LEU 23 10.407 -12.710 -5.888 146 HD11 LEU 23 1HD1 LEU 23 12.989 -13.480 -7.089 147 HD12 LEU 23 2HD1 LEU 23 11.681 -14.482 -6.460 148 HD13 LEU 23 3HD1 LEU 23 12.827 -13.730 -5.351 149 HD21 LEU 23 3HD2 LEU 23 11.076 -10.927 -4.648 150 HD22 LEU 23 1HD2 LEU 23 12.547 -10.682 -5.589 151 HD23 LEU 23 2HD2 LEU 23 12.475 -11.970 -4.386 152 H CYS 24 H CYS 24 9.993 -8.498 -7.229 153 HA CYS 24 HA CYS 24 9.019 -8.930 -4.499 154 HB2 CYS 24 1HB CYS 24 9.808 -6.213 -5.377 155 HB3 CYS 24 2HB CYS 24 10.157 -7.058 -3.872 156 H ILE 25 H ILE 25 7.709 -6.836 -3.747 157 HA ILE 25 HA ILE 25 5.617 -6.324 -5.754 158 HB ILE 25 HB ILE 25 5.042 -6.705 -2.821 159 HG12 ILE 25 1HG1 ILE 25 5.935 -8.800 -3.816 160 HG13 ILE 25 2HG1 ILE 25 4.247 -8.940 -3.336 161 HG21 ILE 25 1HG2 ILE 25 2.752 -7.247 -4.127 162 HG22 ILE 25 2HG2 ILE 25 3.190 -5.642 -3.545 163 HG23 ILE 25 3HG2 ILE 25 3.470 -6.075 -5.231 164 HD11 ILE 25 3HD1 ILE 25 4.434 -8.079 -6.065 165 HD12 ILE 25 1HD1 ILE 25 5.373 -9.550 -5.813 166 HD13 ILE 25 2HD1 ILE 25 3.661 -9.512 -5.388 167 H VAL 26 H VAL 26 7.335 -5.219 -2.894 168 HA VAL 26 HA VAL 26 6.080 -2.596 -3.021 169 HB VAL 26 HB VAL 26 8.345 -3.363 -1.196 170 HG11 VAL 26 1HG1 VAL 26 6.920 -1.746 0.276 171 HG12 VAL 26 2HG1 VAL 26 7.987 -1.097 -0.970 172 HG13 VAL 26 3HG1 VAL 26 6.255 -1.233 -1.274 173 HG21 VAL 26 3HG2 VAL 26 5.488 -4.186 -1.089 174 HG22 VAL 26 1HG2 VAL 26 6.937 -5.061 -0.593 175 HG23 VAL 26 2HG2 VAL 26 6.298 -3.767 0.421 176 H HIS 27 H HIS 27 8.107 -3.839 -5.015 177 HA HIS 27 HA HIS 27 10.502 -2.424 -4.945 178 HB2 HIS 27 1HB HIS 27 10.804 -3.052 -7.200 179 HB3 HIS 27 2HB HIS 27 9.815 -4.333 -6.506 180 HD1 HIS 27 HD1 HIS 27 10.028 -3.101 -9.579 181 HD2 HIS 27 HD2 HIS 27 6.875 -2.908 -6.880 182 HE1 HIS 27 HE1 HIS 27 7.969 -2.735 -10.975 183 H VAL 28 H VAL 28 10.862 -0.938 -7.148 184 HA VAL 28 HA VAL 28 8.929 1.274 -6.910 185 HB VAL 28 HB VAL 28 11.923 1.366 -6.793 186 HG11 VAL 28 1HG1 VAL 28 11.504 2.854 -8.588 187 HG12 VAL 28 2HG1 VAL 28 10.092 3.540 -7.782 188 HG13 VAL 28 3HG1 VAL 28 11.709 3.854 -7.150 189 HG21 VAL 28 3HG2 VAL 28 9.850 2.934 -5.271 190 HG22 VAL 28 1HG2 VAL 28 10.479 1.374 -4.740 191 HG23 VAL 28 2HG2 VAL 28 11.564 2.756 -4.893 192 H THR 29 H THR 29 8.404 2.355 -8.766 193 HA THR 29 HA THR 29 9.708 1.477 -11.254 194 HB THR 29 HB THR 29 7.313 1.808 -12.263 195 HG1 THR 29 HG1 THR 29 5.727 1.069 -10.684 196 HG21 THR 29 3HG2 THR 29 7.997 -0.322 -12.604 197 HG22 THR 29 1HG2 THR 29 6.858 -0.678 -11.306 198 HG23 THR 29 2HG2 THR 29 8.577 -0.512 -10.950 199 H VAL 30 H VAL 30 10.445 3.789 -9.982 200 HA VAL 30 HA VAL 30 9.094 5.925 -11.491 201 HB VAL 30 HB VAL 30 10.981 6.309 -9.171 202 HG11 VAL 30 1HG1 VAL 30 10.863 8.390 -10.033 203 HG12 VAL 30 2HG1 VAL 30 9.363 8.061 -10.902 204 HG13 VAL 30 3HG1 VAL 30 9.322 8.434 -9.178 205 HG21 VAL 30 3HG2 VAL 30 8.248 5.361 -9.165 206 HG22 VAL 30 1HG2 VAL 30 9.394 5.503 -7.832 207 HG23 VAL 30 2HG2 VAL 30 8.406 6.888 -8.296 208 H GLY 31 H GLY 31 10.212 7.199 -12.894 209 HA2 GLY 31 1HA GLY 31 12.044 8.082 -14.024 210 HA3 GLY 31 2HA GLY 31 13.104 7.138 -12.988 211 H CYS 32 H CYS 32 11.010 4.904 -13.931 212 HA CYS 32 HA CYS 32 12.702 4.079 -16.177 213 HB2 CYS 32 1HB CYS 32 11.082 2.646 -14.135 214 HB3 CYS 32 2HB CYS 32 11.230 1.892 -15.719 215 H SER 33 H SER 33 11.293 2.488 -17.682 216 HA SER 33 HA SER 33 9.284 4.240 -18.860 217 HB2 SER 33 1HB SER 33 10.012 3.431 -20.822 218 HB3 SER 33 2HB SER 33 11.257 2.561 -19.925 219 HG SER 33 HG SER 33 9.012 1.616 -21.164 220 H GLY 34 H GLY 34 7.169 3.614 -19.321 221 HA2 GLY 34 1HA GLY 34 5.795 2.167 -17.410 222 HA3 GLY 34 2HA GLY 34 5.179 2.506 -19.020 223 H GLY 35 H GLY 35 6.113 0.100 -16.876 224 HA2 GLY 35 1HA GLY 35 5.384 -2.162 -17.571 225 HA3 GLY 35 2HA GLY 35 6.234 -1.866 -19.081 226 H PHE 36 H PHE 36 8.209 -0.452 -17.004 227 HA PHE 36 HA PHE 36 9.583 -2.926 -16.205 228 HB2 PHE 36 1HB PHE 36 10.952 -0.502 -17.387 229 HB3 PHE 36 2HB PHE 36 11.719 -2.011 -16.905 230 HD1 PHE 36 HD1 PHE 36 9.343 -0.517 -19.313 231 HD2 PHE 36 HD2 PHE 36 11.846 -3.831 -18.379 232 HE1 PHE 36 HE1 PHE 36 9.008 -1.405 -21.583 233 HE2 PHE 36 HE2 PHE 36 11.516 -4.723 -20.648 234 HZ PHE 36 HZ PHE 36 10.096 -3.510 -22.254 235 H GLY 37 H GLY 37 10.253 -2.950 -14.151 236 HA2 GLY 37 1HA GLY 37 10.352 -0.368 -12.715 237 HA3 GLY 37 2HA GLY 37 9.703 -1.834 -11.996 238 H CYS 38 H CYS 38 11.357 -1.088 -10.343 239 HA CYS 38 HA CYS 38 13.809 -2.605 -10.808 240 HB2 CYS 38 1HB CYS 38 13.950 0.139 -9.569 241 HB3 CYS 38 2HB CYS 38 15.277 -0.874 -10.129 242 H CYS 39 H CYS 39 14.663 -3.549 -8.983 243 HA CYS 39 HA CYS 39 13.094 -3.198 -6.513 244 HB2 CYS 39 1HB CYS 39 13.184 -5.470 -7.927 245 HB3 CYS 39 2HB CYS 39 14.633 -5.703 -6.955 246 H ARG 40 H ARG 40 14.333 -3.860 -4.511 247 HA ARG 40 HA ARG 40 16.636 -2.255 -4.266 248 HB2 ARG 40 1HB ARG 40 15.676 -4.440 -2.410 249 HB3 ARG 40 2HB ARG 40 16.802 -3.153 -2.001 250 HG2 ARG 40 1HG ARG 40 14.040 -2.528 -2.969 251 HG3 ARG 40 2HG ARG 40 14.349 -2.928 -1.278 252 HD2 ARG 40 1HD ARG 40 15.854 -0.781 -2.753 253 HD3 ARG 40 2HD ARG 40 14.357 -0.466 -1.875 254 HE ARG 40 HE ARG 40 15.711 -1.533 0.069 255 HH11 ARG 40 1HH1 ARG 40 16.933 0.578 -2.415 256 HH12 ARG 40 2HH1 ARG 40 18.188 1.238 -1.419 257 HH21 ARG 40 1HH2 ARG 40 17.359 -0.672 1.390 258 HH22 ARG 40 2HH2 ARG 40 18.430 0.526 0.745 259 H ILE 41 H ILE 41 18.461 -2.731 -5.322 260 HA ILE 41 HA ILE 41 19.354 -5.514 -5.478 261 HB ILE 41 HB ILE 41 20.428 -3.051 -6.859 262 HG12 ILE 41 1HG1 ILE 41 19.058 -5.353 -8.209 263 HG13 ILE 41 2HG1 ILE 41 18.099 -4.079 -7.464 264 HG21 ILE 41 1HG2 ILE 41 21.541 -4.892 -8.292 265 HG22 ILE 41 2HG2 ILE 41 22.258 -4.469 -6.738 266 HG23 ILE 41 3HG2 ILE 41 21.271 -5.922 -6.886 267 HD11 ILE 41 3HD1 ILE 41 19.647 -4.070 -9.940 268 HD12 ILE 41 1HD1 ILE 41 18.252 -3.102 -9.463 269 HD13 ILE 41 2HD1 ILE 41 19.870 -2.638 -8.936 270 H GLY 42 H GLY 42 20.480 -2.324 -4.405 271 HA2 GLY 42 1HA GLY 42 22.851 -3.535 -3.200 272 HA3 GLY 42 2HA GLY 42 22.515 -1.815 -3.331 Start of MODEL 20 1 H1 ASP 1 1H ASP 1 3.121 0.476 3.349 2 HA ASP 1 HA ASP 1 2.986 0.865 0.457 3 HB2 ASP 1 1HB ASP 1 1.455 2.849 0.826 4 HB3 ASP 1 2HB ASP 1 0.712 1.266 1.039 5 H ASP 2 H ASP 2 5.331 1.002 1.403 6 HA ASP 2 HA ASP 2 5.879 3.773 2.227 7 HB2 ASP 2 1HB ASP 2 6.699 1.724 3.597 8 HB3 ASP 2 2HB ASP 2 7.902 1.554 2.322 9 H THR 3 H THR 3 5.697 4.623 0.111 10 HA THR 3 HA THR 3 7.958 3.924 -1.647 11 HB THR 3 HB THR 3 5.493 5.163 -2.790 12 HG1 THR 3 HG1 THR 3 4.394 3.309 -2.752 13 HG21 THR 3 3HG2 THR 3 7.738 3.423 -3.741 14 HG22 THR 3 1HG2 THR 3 7.176 4.966 -4.382 15 HG23 THR 3 2HG2 THR 3 6.228 3.502 -4.647 16 HA PRO 4 HA PRO 4 8.573 8.300 -0.412 17 HB2 PRO 4 1HB PRO 4 11.283 8.160 -0.507 18 HB3 PRO 4 2HB PRO 4 10.344 7.663 0.906 19 HG2 PRO 4 1HG PRO 4 11.528 5.981 -1.269 20 HG3 PRO 4 2HG PRO 4 11.509 5.696 0.482 21 HD2 PRO 4 1HD PRO 4 9.790 4.469 -1.212 22 HD3 PRO 4 2HD PRO 4 9.350 4.891 0.455 23 H SER 5 H SER 5 10.462 9.786 -1.497 24 HA SER 5 HA SER 5 9.722 9.889 -4.282 25 HB2 SER 5 1HB SER 5 10.120 11.860 -2.575 26 HB3 SER 5 2HB SER 5 11.797 11.694 -3.098 27 HG SER 5 HG SER 5 11.040 11.967 -5.259 28 H SER 6 H SER 6 10.924 7.606 -4.247 29 HA SER 6 HA SER 6 13.721 8.053 -5.052 30 HB2 SER 6 1HB SER 6 12.307 5.660 -3.898 31 HB3 SER 6 2HB SER 6 13.825 5.479 -4.777 32 HG SER 6 HG SER 6 13.319 6.719 -2.321 33 H ARG 7 H ARG 7 14.519 6.913 -6.908 34 HA ARG 7 HA ARG 7 12.530 5.828 -8.745 35 HB2 ARG 7 1HB ARG 7 13.044 7.293 -10.538 36 HB3 ARG 7 2HB ARG 7 12.746 8.318 -9.141 37 HG2 ARG 7 1HG ARG 7 15.495 7.772 -9.124 38 HG3 ARG 7 2HG ARG 7 15.072 8.137 -10.798 39 HD2 ARG 7 1HD ARG 7 13.695 10.062 -9.456 40 HD3 ARG 7 2HD ARG 7 15.119 9.876 -8.434 41 HE ARG 7 HE ARG 7 16.402 10.810 -10.094 42 HH11 ARG 7 1HH1 ARG 7 13.259 10.007 -11.359 43 HH12 ARG 7 2HH1 ARG 7 13.506 10.840 -12.858 44 HH21 ARG 7 1HH2 ARG 7 16.739 11.910 -12.064 45 HH22 ARG 7 2HH2 ARG 7 15.486 11.921 -13.258 46 H CYS 8 H CYS 8 13.510 4.753 -10.613 47 HA CYS 8 HA CYS 8 15.507 2.975 -9.937 48 HB2 CYS 8 1HB CYS 8 14.669 3.940 -12.678 49 HB3 CYS 8 2HB CYS 8 15.713 2.550 -12.399 50 H GLY 9 H GLY 9 17.622 3.175 -9.633 51 HA2 GLY 9 1HA GLY 9 19.812 3.823 -10.032 52 HA3 GLY 9 2HA GLY 9 19.239 4.829 -11.354 53 H SER 10 H SER 10 18.283 4.889 -7.943 54 HA SER 10 HA SER 10 19.477 7.571 -7.729 55 HB2 SER 10 1HB SER 10 17.137 7.972 -8.011 56 HB3 SER 10 2HB SER 10 16.715 6.694 -6.871 57 HG SER 10 HG SER 10 16.590 8.424 -5.616 58 H GLY 11 H GLY 11 18.354 4.668 -6.068 59 HA2 GLY 11 1HA GLY 11 20.347 5.196 -3.973 60 HA3 GLY 11 2HA GLY 11 18.692 4.837 -3.504 61 H GLY 12 H GLY 12 17.849 2.738 -3.887 62 HA2 GLY 12 1HA GLY 12 19.973 0.706 -4.102 63 HA3 GLY 12 2HA GLY 12 18.452 0.492 -3.248 64 H TRP 13 H TRP 13 17.437 2.022 -5.858 65 HA TRP 13 HA TRP 13 16.665 -0.441 -7.180 66 HB2 TRP 13 1HB TRP 13 15.904 2.323 -8.091 67 HB3 TRP 13 2HB TRP 13 15.014 0.815 -8.283 68 HD1 TRP 13 HD1 TRP 13 15.382 3.761 -5.991 69 HE1 TRP 13 HE1 TRP 13 13.793 3.503 -3.983 70 HE3 TRP 13 HE3 TRP 13 13.971 -1.102 -6.693 71 HZ2 TRP 13 HZ2 TRP 13 12.159 1.502 -2.846 72 HZ3 TRP 13 HZ3 TRP 13 12.392 -2.113 -5.100 73 HH2 TRP 13 HH2 TRP 13 11.506 -0.837 -3.217 74 H GLY 14 H GLY 14 17.493 -1.208 -9.026 75 HA2 GLY 14 1HA GLY 14 19.874 -0.169 -10.108 76 HA3 GLY 14 2HA GLY 14 18.876 -1.413 -10.846 77 HA PRO 15 HA PRO 15 18.814 2.362 -13.557 78 HB2 PRO 15 1HB PRO 15 19.356 1.019 -15.853 79 HB3 PRO 15 2HB PRO 15 20.618 1.629 -14.777 80 HG2 PRO 15 1HG PRO 15 19.502 -1.139 -15.010 81 HG3 PRO 15 2HG PRO 15 21.190 -0.624 -14.837 82 HD2 PRO 15 1HD PRO 15 19.729 -1.552 -12.755 83 HD3 PRO 15 2HD PRO 15 20.996 -0.324 -12.560 84 H CYS 16 H CYS 16 17.738 -0.871 -14.636 85 HA CYS 16 HA CYS 16 14.993 -0.274 -14.570 86 HB2 CYS 16 1HB CYS 16 16.421 0.610 -16.953 87 HB3 CYS 16 2HB CYS 16 15.117 -0.510 -17.333 88 H LEU 17 H LEU 17 14.028 -2.180 -14.383 89 HA LEU 17 HA LEU 17 15.169 -4.487 -15.814 90 HB2 LEU 17 1HB LEU 17 15.810 -4.745 -13.539 91 HB3 LEU 17 2HB LEU 17 14.194 -4.328 -12.972 92 HG LEU 17 HG LEU 17 13.699 -6.551 -14.478 93 HD11 LEU 17 1HD1 LEU 17 16.320 -6.674 -14.541 94 HD12 LEU 17 2HD1 LEU 17 15.349 -8.128 -14.314 95 HD13 LEU 17 3HD1 LEU 17 16.110 -7.351 -12.926 96 HD21 LEU 17 3HD2 LEU 17 13.774 -5.797 -11.702 97 HD22 LEU 17 1HD2 LEU 17 14.223 -7.491 -11.898 98 HD23 LEU 17 2HD2 LEU 17 12.685 -6.908 -12.534 99 HA PRO 18 HA PRO 18 11.088 -5.030 -17.388 100 HB2 PRO 18 1HB PRO 18 11.297 -7.623 -18.163 101 HB3 PRO 18 2HB PRO 18 12.062 -6.294 -19.041 102 HG2 PRO 18 1HG PRO 18 13.259 -8.196 -17.063 103 HG3 PRO 18 2HG PRO 18 13.925 -7.614 -18.601 104 HD2 PRO 18 1HD PRO 18 14.685 -6.600 -16.208 105 HD3 PRO 18 2HD PRO 18 14.628 -5.619 -17.686 106 H ILE 19 H ILE 19 9.276 -5.301 -16.260 107 HA ILE 19 HA ILE 19 9.096 -6.594 -13.798 108 HB ILE 19 HB ILE 19 6.812 -6.073 -15.703 109 HG12 ILE 19 1HG1 ILE 19 7.996 -4.278 -13.573 110 HG13 ILE 19 2HG1 ILE 19 8.172 -4.052 -15.310 111 HG21 ILE 19 1HG2 ILE 19 6.044 -5.694 -13.034 112 HG22 ILE 19 2HG2 ILE 19 5.554 -6.991 -14.123 113 HG23 ILE 19 3HG2 ILE 19 6.954 -7.205 -13.072 114 HD11 ILE 19 3HD1 ILE 19 6.290 -2.903 -15.366 115 HD12 ILE 19 1HD1 ILE 19 5.404 -4.273 -14.696 116 HD13 ILE 19 2HD1 ILE 19 6.142 -3.087 -13.618 117 H VAL 20 H VAL 20 9.000 -7.879 -16.974 118 HA VAL 20 HA VAL 20 7.419 -10.155 -16.642 119 HB VAL 20 HB VAL 20 8.396 -9.312 -18.808 120 HG11 VAL 20 1HG1 VAL 20 10.583 -9.486 -19.323 121 HG12 VAL 20 2HG1 VAL 20 10.789 -9.496 -17.570 122 HG13 VAL 20 3HG1 VAL 20 10.772 -11.015 -18.466 123 HG21 VAL 20 3HG2 VAL 20 8.067 -11.337 -19.799 124 HG22 VAL 20 1HG2 VAL 20 9.077 -12.195 -18.635 125 HG23 VAL 20 2HG2 VAL 20 7.438 -11.715 -18.195 126 H ASP 21 H ASP 21 10.558 -9.408 -15.423 127 HA ASP 21 HA ASP 21 10.887 -12.193 -14.519 128 HB2 ASP 21 1HB ASP 21 12.704 -11.335 -15.985 129 HB3 ASP 21 2HB ASP 21 13.026 -10.072 -14.801 130 H LEU 22 H LEU 22 9.902 -9.226 -13.497 131 HA LEU 22 HA LEU 22 11.116 -8.636 -11.125 132 HB2 LEU 22 1HB LEU 22 8.813 -7.858 -12.392 133 HB3 LEU 22 2HB LEU 22 8.200 -8.594 -10.912 134 HG LEU 22 HG LEU 22 9.790 -7.053 -9.664 135 HD11 LEU 22 1HD1 LEU 22 9.767 -5.076 -11.776 136 HD12 LEU 22 2HD1 LEU 22 10.706 -6.500 -12.220 137 HD13 LEU 22 3HD1 LEU 22 11.093 -5.614 -10.745 138 HD21 LEU 22 3HD2 LEU 22 7.232 -6.786 -10.195 139 HD22 LEU 22 1HD2 LEU 22 7.797 -5.435 -11.177 140 HD23 LEU 22 2HD2 LEU 22 8.143 -5.473 -9.448 141 H LEU 23 H LEU 23 10.579 -9.118 -8.899 142 HA LEU 23 HA LEU 23 9.300 -11.719 -8.462 143 HB2 LEU 23 1HB LEU 23 11.511 -12.414 -8.487 144 HB3 LEU 23 2HB LEU 23 12.090 -10.925 -7.742 145 HG LEU 23 HG LEU 23 10.361 -12.724 -6.120 146 HD11 LEU 23 1HD1 LEU 23 12.178 -14.146 -5.505 147 HD12 LEU 23 2HD1 LEU 23 13.300 -13.243 -6.522 148 HD13 LEU 23 3HD1 LEU 23 12.016 -14.199 -7.261 149 HD21 LEU 23 3HD2 LEU 23 10.929 -10.923 -4.853 150 HD22 LEU 23 1HD2 LEU 23 12.444 -10.653 -5.714 151 HD23 LEU 23 2HD2 LEU 23 12.329 -11.940 -4.514 152 H CYS 24 H CYS 24 9.912 -8.517 -7.507 153 HA CYS 24 HA CYS 24 8.803 -8.955 -4.827 154 HB2 CYS 24 1HB CYS 24 9.622 -6.232 -5.641 155 HB3 CYS 24 2HB CYS 24 9.910 -7.092 -4.133 156 H ILE 25 H ILE 25 7.397 -6.951 -4.124 157 HA ILE 25 HA ILE 25 5.437 -6.421 -6.259 158 HB ILE 25 HB ILE 25 4.778 -6.908 -3.353 159 HG12 ILE 25 1HG1 ILE 25 4.292 -8.695 -5.746 160 HG13 ILE 25 2HG1 ILE 25 5.542 -8.956 -4.535 161 HG21 ILE 25 1HG2 ILE 25 3.262 -5.364 -4.517 162 HG22 ILE 25 2HG2 ILE 25 2.976 -6.592 -5.750 163 HG23 ILE 25 3HG2 ILE 25 2.465 -6.877 -4.086 164 HD11 ILE 25 3HD1 ILE 25 2.847 -9.806 -4.508 165 HD12 ILE 25 1HD1 ILE 25 4.102 -10.082 -3.300 166 HD13 ILE 25 2HD1 ILE 25 3.068 -8.657 -3.189 167 H VAL 26 H VAL 26 6.995 -5.294 -3.318 168 HA VAL 26 HA VAL 26 5.724 -2.683 -3.514 169 HB VAL 26 HB VAL 26 7.903 -3.425 -1.577 170 HG11 VAL 26 1HG1 VAL 26 5.790 -1.320 -1.756 171 HG12 VAL 26 2HG1 VAL 26 6.404 -1.818 -0.178 172 HG13 VAL 26 3HG1 VAL 26 7.507 -1.159 -1.387 173 HG21 VAL 26 3HG2 VAL 26 6.314 -5.178 -1.312 174 HG22 VAL 26 1HG2 VAL 26 6.037 -4.028 -0.004 175 HG23 VAL 26 2HG2 VAL 26 4.961 -4.051 -1.401 176 H HIS 27 H HIS 27 7.859 -3.912 -5.401 177 HA HIS 27 HA HIS 27 10.236 -2.476 -5.216 178 HB2 HIS 27 1HB HIS 27 10.651 -3.098 -7.457 179 HB3 HIS 27 2HB HIS 27 9.651 -4.393 -6.804 180 HD1 HIS 27 HD1 HIS 27 9.980 -3.191 -9.870 181 HD2 HIS 27 HD2 HIS 27 6.712 -2.990 -7.312 182 HE1 HIS 27 HE1 HIS 27 7.982 -2.854 -11.358 183 H VAL 28 H VAL 28 10.691 -0.990 -7.401 184 HA VAL 28 HA VAL 28 8.738 1.212 -7.248 185 HB VAL 28 HB VAL 28 11.723 1.306 -7.016 186 HG11 VAL 28 1HG1 VAL 28 9.945 3.462 -8.130 187 HG12 VAL 28 2HG1 VAL 28 11.528 3.792 -7.423 188 HG13 VAL 28 3HG1 VAL 28 11.396 2.765 -8.850 189 HG21 VAL 28 3HG2 VAL 28 9.555 2.861 -5.610 190 HG22 VAL 28 1HG2 VAL 28 10.246 1.352 -5.014 191 HG23 VAL 28 2HG2 VAL 28 11.263 2.783 -5.178 192 H THR 29 H THR 29 8.254 2.267 -9.126 193 HA THR 29 HA THR 29 9.659 1.406 -11.565 194 HB THR 29 HB THR 29 7.283 1.686 -12.649 195 HG1 THR 29 HG1 THR 29 5.709 1.818 -11.252 196 HG21 THR 29 3HG2 THR 29 6.875 -0.820 -11.726 197 HG22 THR 29 1HG2 THR 29 8.577 -0.609 -11.318 198 HG23 THR 29 2HG2 THR 29 8.040 -0.420 -12.987 199 H VAL 30 H VAL 30 10.295 3.740 -10.277 200 HA VAL 30 HA VAL 30 8.957 5.833 -11.857 201 HB VAL 30 HB VAL 30 10.685 6.246 -9.418 202 HG11 VAL 30 1HG1 VAL 30 9.857 8.474 -9.415 203 HG12 VAL 30 2HG1 VAL 30 10.394 8.130 -11.061 204 HG13 VAL 30 3HG1 VAL 30 8.674 8.105 -10.670 205 HG21 VAL 30 3HG2 VAL 30 8.020 6.844 -8.801 206 HG22 VAL 30 1HG2 VAL 30 7.986 5.274 -9.603 207 HG23 VAL 30 2HG2 VAL 30 8.993 5.513 -8.175 208 H GLY 31 H GLY 31 10.110 7.120 -13.216 209 HA2 GLY 31 1HA GLY 31 11.975 8.052 -14.250 210 HA3 GLY 31 2HA GLY 31 13.004 7.148 -13.149 211 H CYS 32 H CYS 32 11.014 4.857 -14.200 212 HA CYS 32 HA CYS 32 12.859 4.058 -16.333 213 HB2 CYS 32 1HB CYS 32 11.179 2.603 -14.363 214 HB3 CYS 32 2HB CYS 32 11.392 1.844 -15.937 215 H SER 33 H SER 33 11.570 2.413 -17.898 216 HA SER 33 HA SER 33 9.605 4.113 -19.216 217 HB2 SER 33 1HB SER 33 11.664 2.771 -20.268 218 HB3 SER 33 2HB SER 33 10.437 1.511 -20.402 219 HG SER 33 HG SER 33 10.466 4.084 -21.562 220 H GLY 34 H GLY 34 7.531 3.441 -19.795 221 HA2 GLY 34 1HA GLY 34 6.072 1.998 -17.941 222 HA3 GLY 34 2HA GLY 34 5.543 2.310 -19.588 223 H GLY 35 H GLY 35 6.334 -0.061 -17.370 224 HA2 GLY 35 1HA GLY 35 5.705 -2.340 -18.062 225 HA3 GLY 35 2HA GLY 35 6.611 -2.049 -19.540 226 H PHE 36 H PHE 36 8.467 -0.581 -17.382 227 HA PHE 36 HA PHE 36 9.854 -3.025 -16.517 228 HB2 PHE 36 1HB PHE 36 11.232 -0.573 -17.630 229 HB3 PHE 36 2HB PHE 36 11.998 -2.076 -17.126 230 HD1 PHE 36 HD1 PHE 36 9.734 -0.578 -19.633 231 HD2 PHE 36 HD2 PHE 36 12.187 -3.898 -18.598 232 HE1 PHE 36 HE1 PHE 36 9.511 -1.452 -21.922 233 HE2 PHE 36 HE2 PHE 36 11.969 -4.777 -20.886 234 HZ PHE 36 HZ PHE 36 10.628 -3.554 -22.551 235 H GLY 37 H GLY 37 10.413 -3.035 -14.431 236 HA2 GLY 37 1HA GLY 37 10.406 -0.449 -12.999 237 HA3 GLY 37 2HA GLY 37 9.744 -1.923 -12.309 238 H CYS 38 H CYS 38 11.308 -1.140 -10.581 239 HA CYS 38 HA CYS 38 13.796 -2.632 -10.915 240 HB2 CYS 38 1HB CYS 38 13.859 0.123 -9.698 241 HB3 CYS 38 2HB CYS 38 15.215 -0.880 -10.201 242 H CYS 39 H CYS 39 14.579 -3.538 -9.038 243 HA CYS 39 HA CYS 39 12.889 -3.179 -6.650 244 HB2 CYS 39 1HB CYS 39 13.053 -5.464 -8.017 245 HB3 CYS 39 2HB CYS 39 14.485 -5.668 -7.014 246 H ARG 40 H ARG 40 14.048 -3.819 -4.585 247 HA ARG 40 HA ARG 40 16.304 -2.167 -4.243 248 HB2 ARG 40 1HB ARG 40 15.332 -4.370 -2.416 249 HB3 ARG 40 2HB ARG 40 16.377 -3.028 -1.969 250 HG2 ARG 40 1HG ARG 40 13.659 -2.505 -3.092 251 HG3 ARG 40 2HG ARG 40 13.858 -2.936 -1.393 252 HD2 ARG 40 1HD ARG 40 15.360 -0.691 -2.722 253 HD3 ARG 40 2HD ARG 40 13.819 -0.469 -1.895 254 HE ARG 40 HE ARG 40 15.144 -1.549 0.064 255 HH11 ARG 40 1HH1 ARG 40 16.359 0.705 -2.294 256 HH12 ARG 40 2HH1 ARG 40 17.544 1.384 -1.227 257 HH21 ARG 40 1HH2 ARG 40 16.699 -0.665 1.478 258 HH22 ARG 40 2HH2 ARG 40 17.737 0.603 0.919 259 H ILE 41 H ILE 41 18.179 -2.613 -5.226 260 HA ILE 41 HA ILE 41 19.135 -5.375 -5.333 261 HB ILE 41 HB ILE 41 20.218 -2.887 -6.660 262 HG12 ILE 41 1HG1 ILE 41 18.675 -5.238 -7.778 263 HG13 ILE 41 2HG1 ILE 41 18.053 -3.606 -7.562 264 HG21 ILE 41 1HG2 ILE 41 21.995 -4.477 -6.219 265 HG22 ILE 41 2HG2 ILE 41 21.046 -5.772 -6.946 266 HG23 ILE 41 3HG2 ILE 41 21.629 -4.440 -7.943 267 HD11 ILE 41 3HD1 ILE 41 20.330 -3.256 -9.086 268 HD12 ILE 41 1HD1 ILE 41 19.601 -4.727 -9.727 269 HD13 ILE 41 2HD1 ILE 41 18.663 -3.235 -9.659 270 H GLY 42 H GLY 42 20.350 -2.149 -4.413 271 HA2 GLY 42 1HA GLY 42 21.880 -1.515 -2.823 272 HA3 GLY 42 2HA GLY 42 21.549 -3.047 -2.026
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