NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653872 | 7asy | 34567 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 28 HT1 ARG 28 25.008 -6.312 -1.808 2 H2 ARG 28 HT2 ARG 28 24.045 -6.983 -0.592 3 H3 ARG 28 HT3 ARG 28 25.725 -6.930 -0.405 4 HA ARG 28 HA ARG 28 24.674 -5.238 0.930 5 HB2 ARG 28 HB2 ARG 28 26.881 -4.732 0.131 6 HB3 ARG 28 HB1 ARG 28 26.264 -4.269 -1.449 7 HG2 ARG 28 HG2 ARG 28 25.135 -2.732 0.770 8 HG3 ARG 28 HG1 ARG 28 26.877 -2.545 0.567 9 HD2 ARG 28 HD2 ARG 28 24.853 -2.216 -1.644 10 HD3 ARG 28 HD1 ARG 28 25.528 -0.884 -0.707 11 HE ARG 28 HE ARG 28 27.583 -2.475 -1.853 12 HH11 ARG 28 HH11 ARG 28 25.219 -0.035 -2.634 13 HH12 ARG 28 HH12 ARG 28 26.131 0.605 -3.960 14 HH21 ARG 28 HH21 ARG 28 28.788 -1.637 -3.594 15 HH22 ARG 28 HH22 ARG 28 28.159 -0.305 -4.505 16 H ARG 29 HN ARG 29 22.843 -4.181 1.207 17 HA ARG 29 HA ARG 29 21.202 -3.495 -1.094 18 HB2 ARG 29 HB2 ARG 29 20.592 -3.220 1.856 19 HB3 ARG 29 HB1 ARG 29 19.441 -3.062 0.535 20 HG2 ARG 29 HG2 ARG 29 19.771 -5.411 -0.042 21 HG3 ARG 29 HG1 ARG 29 20.937 -5.571 1.272 22 HD2 ARG 29 HD2 ARG 29 19.155 -4.921 2.867 23 HD3 ARG 29 HD1 ARG 29 18.007 -4.906 1.528 24 HE ARG 29 HE ARG 29 19.143 -7.393 1.444 25 HH11 ARG 29 HH11 ARG 29 17.438 -5.531 3.843 26 HH12 ARG 29 HH12 ARG 29 16.757 -6.919 4.623 27 HH21 ARG 29 HH21 ARG 29 18.253 -9.228 2.466 28 HH22 ARG 29 HH22 ARG 29 17.223 -9.021 3.842 29 H CYS 30 HN CYS 30 21.233 -1.546 -1.976 30 HA CYS 30 HA CYS 30 22.539 0.642 -0.565 31 HB2 CYS 30 HB2 CYS 30 22.923 -0.116 -3.051 32 HB3 CYS 30 HB1 CYS 30 21.493 0.860 -3.365 33 HG CYS 30 HG CYS 30 24.279 2.097 -1.813 34 H LEU 31 HN LEU 31 21.087 2.620 -2.276 35 HA LEU 31 HA LEU 31 19.259 3.576 -0.446 36 HB2 LEU 31 HB2 LEU 31 19.506 4.003 -3.411 37 HB3 LEU 31 HB1 LEU 31 18.271 4.815 -2.471 38 HG LEU 31 HG LEU 31 20.143 6.300 -2.795 39 HD11 LEU 31 HD11 LEU 31 20.665 6.856 -0.481 40 HD12 LEU 31 HD12 LEU 31 20.073 5.280 0.040 41 HD13 LEU 31 HD13 LEU 31 18.960 6.448 -0.669 42 HD21 LEU 31 HD21 LEU 31 21.822 4.179 -1.462 43 HD22 LEU 31 HD22 LEU 31 22.366 5.791 -1.925 44 HD23 LEU 31 HD23 LEU 31 21.884 4.634 -3.165 45 H PHE 32 HN PHE 32 18.833 1.103 -2.831 46 HA PHE 32 HA PHE 32 16.067 1.114 -3.162 47 HB2 PHE 32 HB2 PHE 32 17.751 -1.384 -2.977 48 HB3 PHE 32 HB1 PHE 32 16.274 -1.148 -3.904 49 HD1 PHE 32 HD1 PHE 32 16.330 0.473 -5.852 50 HD2 PHE 32 HD2 PHE 32 19.839 -0.962 -3.921 51 HE1 PHE 32 HE1 PHE 32 17.667 1.106 -7.819 52 HE2 PHE 32 HE2 PHE 32 21.183 -0.333 -5.883 53 HZ PHE 32 HZ PHE 32 20.097 0.703 -7.835 54 H LEU 33 HN LEU 33 17.946 0.413 -0.429 55 HA LEU 33 HA LEU 33 16.541 -1.462 1.006 56 HB2 LEU 33 HB2 LEU 33 18.704 -0.213 1.587 57 HB3 LEU 33 HB1 LEU 33 17.666 1.035 2.253 58 HG LEU 33 HG LEU 33 16.646 -0.923 3.647 59 HD11 LEU 33 HD11 LEU 33 18.340 -2.640 4.189 60 HD12 LEU 33 HD12 LEU 33 19.336 -2.033 2.864 61 HD13 LEU 33 HD13 LEU 33 17.755 -2.741 2.528 62 HD21 LEU 33 HD21 LEU 33 18.305 -0.527 5.399 63 HD22 LEU 33 HD22 LEU 33 17.858 0.973 4.585 64 HD23 LEU 33 HD23 LEU 33 19.394 0.190 4.210 65 H SER 34 HN SER 34 16.047 2.070 1.099 66 HA SER 34 HA SER 34 13.629 1.792 2.646 67 HB2 SER 34 HB2 SER 34 15.094 3.724 2.999 68 HB3 SER 34 HB1 SER 34 14.853 4.228 1.328 69 HG SER 34 HG SER 34 13.449 5.385 2.615 70 H LEU 35 HN LEU 35 14.467 2.074 -0.705 71 HA LEU 35 HA LEU 35 11.988 3.026 -1.678 72 HB2 LEU 35 HB2 LEU 35 14.205 2.981 -2.900 73 HB3 LEU 35 HB1 LEU 35 13.945 1.266 -3.152 74 HG LEU 35 HG LEU 35 13.374 2.887 -5.060 75 HD11 LEU 35 HD11 LEU 35 12.708 0.413 -4.644 76 HD12 LEU 35 HD12 LEU 35 11.924 1.336 -5.929 77 HD13 LEU 35 HD13 LEU 35 11.097 1.087 -4.391 78 HD21 LEU 35 HD21 LEU 35 10.876 3.220 -3.400 79 HD22 LEU 35 HD22 LEU 35 11.144 3.825 -5.035 80 HD23 LEU 35 HD23 LEU 35 12.080 4.476 -3.690 81 H PHE 36 HN PHE 36 13.151 -0.134 -0.784 82 HA PHE 36 HA PHE 36 11.048 -1.599 -2.064 83 HB2 PHE 36 HB2 PHE 36 13.236 -2.619 -1.585 84 HB3 PHE 36 HB1 PHE 36 12.948 -2.430 0.142 85 HD1 PHE 36 HD1 PHE 36 11.681 -4.118 -2.906 86 HD2 PHE 36 HD2 PHE 36 11.800 -4.064 1.348 87 HE1 PHE 36 HE1 PHE 36 10.600 -6.328 -2.851 88 HE2 PHE 36 HE2 PHE 36 10.719 -6.272 1.410 89 HZ PHE 36 HZ PHE 36 10.118 -7.408 -0.692 90 H SER 37 HN SER 37 11.309 0.194 0.828 91 HA SER 37 HA SER 37 9.428 -1.234 2.411 92 HB2 SER 37 HB2 SER 37 11.041 0.309 3.418 93 HB3 SER 37 HB1 SER 37 10.291 1.663 2.573 94 HG SER 37 HG SER 37 8.970 1.777 4.188 95 H PHE 38 HN PHE 38 9.131 1.047 -0.166 96 HA PHE 38 HA PHE 38 6.500 1.956 0.449 97 HB2 PHE 38 HB2 PHE 38 8.063 1.972 -2.140 98 HB3 PHE 38 HB1 PHE 38 6.503 2.760 -1.921 99 HD1 PHE 38 HD1 PHE 38 10.059 2.993 -1.426 100 HD2 PHE 38 HD2 PHE 38 6.304 4.639 -0.291 101 HE1 PHE 38 HE1 PHE 38 11.199 5.007 -0.593 102 HE2 PHE 38 HE2 PHE 38 7.437 6.657 0.544 103 HZ PHE 38 HZ PHE 38 9.888 6.843 0.394 104 H LEU 39 HN LEU 39 7.813 -0.744 -1.359 105 HA LEU 39 HA LEU 39 5.457 -1.474 -2.728 106 HB2 LEU 39 HB2 LEU 39 7.891 -3.035 -1.901 107 HB3 LEU 39 HB1 LEU 39 6.575 -3.766 -2.802 108 HG LEU 39 HG LEU 39 6.985 -1.872 -4.512 109 HD11 LEU 39 HD11 LEU 39 8.395 -0.393 -3.449 110 HD12 LEU 39 HD12 LEU 39 9.525 -1.329 -4.432 111 HD13 LEU 39 HD13 LEU 39 9.347 -1.679 -2.709 112 HD21 LEU 39 HD21 LEU 39 9.002 -4.079 -4.101 113 HD22 LEU 39 HD22 LEU 39 8.755 -3.185 -5.602 114 HD23 LEU 39 HD23 LEU 39 7.468 -4.210 -4.964 115 H ILE 40 HN ILE 40 6.456 -1.869 0.547 116 HA ILE 40 HA ILE 40 4.590 -4.012 1.107 117 HB ILE 40 HB ILE 40 6.240 -2.357 3.025 118 HG12 ILE 40 HG12 ILE 40 6.744 -5.144 1.963 119 HG13 ILE 40 HG11 ILE 40 7.562 -3.698 1.377 120 HG21 ILE 40 HG21 ILE 40 5.779 -4.134 4.631 121 HG22 ILE 40 HG22 ILE 40 4.779 -4.964 3.438 122 HG23 ILE 40 HG23 ILE 40 4.280 -3.392 4.068 123 HD11 ILE 40 HD11 ILE 40 8.966 -4.890 2.934 124 HD12 ILE 40 HD12 ILE 40 7.704 -4.823 4.163 125 HD13 ILE 40 HD13 ILE 40 8.486 -3.338 3.621 126 H VAL 41 HN VAL 41 4.968 -0.622 2.163 127 HA VAL 41 HA VAL 41 2.541 -0.477 3.567 128 HB VAL 41 HB VAL 41 4.488 1.166 3.657 129 HG11 VAL 41 HG11 VAL 41 4.569 1.563 1.205 130 HG12 VAL 41 HG12 VAL 41 4.475 3.042 2.160 131 HG13 VAL 41 HG13 VAL 41 3.038 2.431 1.336 132 HG21 VAL 41 HG21 VAL 41 1.662 2.196 3.460 133 HG22 VAL 41 HG22 VAL 41 3.005 3.073 4.194 134 HG23 VAL 41 HG23 VAL 41 2.457 1.550 4.896 135 H ALA 42 HN ALA 42 3.236 -0.357 0.187 136 HA ALA 42 HA ALA 42 1.112 1.119 -0.817 137 HB1 ALA 42 HB1 ALA 42 1.384 -0.160 -2.879 138 HB2 ALA 42 HB2 ALA 42 2.358 -1.351 -2.017 139 HB3 ALA 42 HB3 ALA 42 2.945 0.301 -2.204 140 H GLY 43 HN GLY 43 1.197 -2.201 0.342 141 HA2 GLY 43 HA2 GLY 43 -1.451 -2.839 -0.563 142 HA3 GLY 43 HA1 GLY 43 -0.468 -3.791 0.540 143 H ALA 44 HN ALA 44 -0.060 -1.541 2.373 144 HA ALA 44 HA ALA 44 -2.406 -1.920 3.970 145 HB1 ALA 44 HB1 ALA 44 -0.181 -1.779 4.976 146 HB2 ALA 44 HB2 ALA 44 -1.257 -0.541 5.622 147 HB3 ALA 44 HB3 ALA 44 -0.035 -0.111 4.425 148 H THR 45 HN THR 45 -1.180 0.579 1.869 149 HA THR 45 HA THR 45 -2.985 2.620 2.769 150 HB THR 45 HB THR 45 -2.241 3.880 0.789 151 HG1 THR 45 HG1 THR 45 -1.957 2.229 -0.710 152 HG21 THR 45 HG21 THR 45 0.043 2.534 2.240 153 HG22 THR 45 HG22 THR 45 -0.873 3.920 2.830 154 HG23 THR 45 HG23 THR 45 0.121 4.071 1.381 155 H THR 46 HN THR 46 -3.085 0.033 0.466 156 HA THR 46 HA THR 46 -5.174 1.004 -1.177 157 HB THR 46 HB THR 46 -4.465 -1.878 -0.586 158 HG1 THR 46 HG1 THR 46 -3.383 0.059 -2.322 159 HG21 THR 46 HG21 THR 46 -5.527 -2.370 -2.717 160 HG22 THR 46 HG22 THR 46 -5.897 -0.662 -2.952 161 HG23 THR 46 HG23 THR 46 -6.674 -1.560 -1.648 162 H LEU 47 HN LEU 47 -5.118 -0.870 1.807 163 HA LEU 47 HA LEU 47 -7.814 -1.601 1.917 164 HB2 LEU 47 HB2 LEU 47 -5.804 -2.273 3.417 165 HB3 LEU 47 HB1 LEU 47 -6.224 -0.856 4.357 166 HG LEU 47 HG LEU 47 -7.125 -2.977 5.281 167 HD11 LEU 47 HD11 LEU 47 -9.314 -2.143 5.790 168 HD12 LEU 47 HD12 LEU 47 -9.287 -1.086 4.380 169 HD13 LEU 47 HD13 LEU 47 -8.188 -0.787 5.726 170 HD21 LEU 47 HD21 LEU 47 -8.844 -2.976 2.803 171 HD22 LEU 47 HD22 LEU 47 -9.002 -4.068 4.179 172 HD23 LEU 47 HD23 LEU 47 -7.558 -4.126 3.168 173 H PHE 48 HN PHE 48 -6.156 1.295 3.108 174 HA PHE 48 HA PHE 48 -8.462 2.506 4.228 175 HB2 PHE 48 HB2 PHE 48 -5.753 3.539 3.419 176 HB3 PHE 48 HB1 PHE 48 -7.000 4.621 4.031 177 HD1 PHE 48 HD1 PHE 48 -4.577 2.058 4.861 178 HD2 PHE 48 HD2 PHE 48 -7.812 4.393 6.343 179 HE1 PHE 48 HE1 PHE 48 -3.928 1.488 7.165 180 HE2 PHE 48 HE2 PHE 48 -7.167 3.828 8.649 181 HZ PHE 48 HZ PHE 48 -5.223 2.374 9.063 182 H CYS 49 HN CYS 49 -6.730 3.059 1.167 183 HA CYS 49 HA CYS 49 -8.477 5.027 0.173 184 HB2 CYS 49 HB2 CYS 49 -6.705 3.092 -1.333 185 HB3 CYS 49 HB1 CYS 49 -7.468 4.517 -2.031 186 HG CYS 49 HG CYS 49 -5.604 5.161 0.673 187 H LEU 50 HN LEU 50 -8.753 1.592 0.349 188 HA LEU 50 HA LEU 50 -10.501 1.081 -1.775 189 HB2 LEU 50 HB2 LEU 50 -9.319 -0.448 0.101 190 HB3 LEU 50 HB1 LEU 50 -10.946 -0.396 0.753 191 HG LEU 50 HG LEU 50 -11.728 -1.178 -1.545 192 HD11 LEU 50 HD11 LEU 50 -8.758 -1.532 -1.802 193 HD12 LEU 50 HD12 LEU 50 -9.874 -0.743 -2.918 194 HD13 LEU 50 HD13 LEU 50 -9.905 -2.497 -2.735 195 HD21 LEU 50 HD21 LEU 50 -11.202 -3.519 -1.042 196 HD22 LEU 50 HD22 LEU 50 -11.690 -2.635 0.404 197 HD23 LEU 50 HD23 LEU 50 -9.986 -2.991 0.122 198 H LEU 51 HN LEU 51 -11.277 1.695 1.649 199 HA LEU 51 HA LEU 51 -14.070 1.807 1.278 200 HB2 LEU 51 HB2 LEU 51 -12.517 3.215 3.444 201 HB3 LEU 51 HB1 LEU 51 -14.183 2.671 3.507 202 HG LEU 51 HG LEU 51 -11.766 0.864 3.388 203 HD11 LEU 51 HD11 LEU 51 -13.616 1.505 5.681 204 HD12 LEU 51 HD12 LEU 51 -11.950 2.060 5.513 205 HD13 LEU 51 HD13 LEU 51 -12.291 0.341 5.706 206 HD21 LEU 51 HD21 LEU 51 -13.378 -0.921 3.882 207 HD22 LEU 51 HD22 LEU 51 -13.706 -0.147 2.332 208 HD23 LEU 51 HD23 LEU 51 -14.698 0.241 3.739 209 H HIS 52 HN HIS 52 -11.538 4.126 0.825 210 HA HIS 52 HA HIS 52 -13.169 6.464 0.907 211 HB2 HIS 52 HB2 HIS 52 -10.681 6.434 1.243 212 HB3 HIS 52 HB1 HIS 52 -10.504 6.109 -0.478 213 HD1 HIS 52 HD1 HIS 52 -11.206 8.821 1.950 214 HD2 HIS 52 HD2 HIS 52 -11.135 8.302 -2.172 215 HE1 HIS 52 HE1 HIS 52 -11.243 11.141 0.980 216 HE2 HIS 52 HE2 HIS 52 -11.142 10.804 -1.514 217 H PHE 53 HN PHE 53 -12.487 4.062 -1.476 218 HA PHE 53 HA PHE 53 -13.372 5.716 -3.692 219 HB2 PHE 53 HB2 PHE 53 -11.540 3.979 -3.883 220 HB3 PHE 53 HB1 PHE 53 -12.793 2.752 -3.727 221 HD1 PHE 53 HD1 PHE 53 -11.368 5.341 -5.877 222 HD2 PHE 53 HD2 PHE 53 -14.354 2.330 -5.518 223 HE1 PHE 53 HE1 PHE 53 -11.776 5.462 -8.301 224 HE2 PHE 53 HE2 PHE 53 -14.766 2.443 -7.940 225 HZ PHE 53 HZ PHE 53 -13.477 4.011 -9.335 226 H GLY 54 HN GLY 54 -14.649 3.310 -1.532 227 HA2 GLY 54 HA2 GLY 54 -17.000 3.158 -1.134 228 HA3 GLY 54 HA1 GLY 54 -17.281 3.652 -2.797 229 H VAL 55 HN VAL 55 -14.886 1.254 -2.029 230 HA VAL 55 HA VAL 55 -16.252 -0.690 -3.667 231 HB VAL 55 HB VAL 55 -13.749 -1.158 -2.057 232 HG11 VAL 55 HG11 VAL 55 -14.777 -2.369 -4.624 233 HG12 VAL 55 HG12 VAL 55 -14.773 -3.140 -3.036 234 HG13 VAL 55 HG13 VAL 55 -13.247 -2.767 -3.840 235 HG21 VAL 55 HG21 VAL 55 -13.422 0.881 -3.337 236 HG22 VAL 55 HG22 VAL 55 -13.980 0.074 -4.802 237 HG23 VAL 55 HG23 VAL 55 -12.476 -0.435 -4.034 238 H ILE 56 HN ILE 56 -18.105 -0.617 -2.020 239 HA ILE 56 HA ILE 56 -17.619 -2.642 0.069 240 HB ILE 56 HB ILE 56 -19.847 -0.630 0.167 241 HG12 ILE 56 HG12 ILE 56 -17.798 0.672 0.100 242 HG13 ILE 56 HG11 ILE 56 -18.444 0.690 1.735 243 HG21 ILE 56 HG21 ILE 56 -19.820 -1.158 2.561 244 HG22 ILE 56 HG22 ILE 56 -18.511 -2.308 2.283 245 HG23 ILE 56 HG23 ILE 56 -20.100 -2.591 1.570 246 HD11 ILE 56 HD11 ILE 56 -16.087 -0.860 0.702 247 HD12 ILE 56 HD12 ILE 56 -16.816 -1.140 2.283 248 HD13 ILE 56 HD13 ILE 56 -16.104 0.428 1.907 249 H GLY 57 HN GLY 57 -18.133 -4.374 -1.293 250 HA2 GLY 57 HA2 GLY 57 -21.002 -4.769 -1.651 251 HA3 GLY 57 HA1 GLY 57 -20.017 -4.844 -3.103 252 HA PRO 58 HA PRO 58 -19.280 -9.128 -2.384 253 HB2 PRO 58 HB2 PRO 58 -16.677 -9.423 -3.160 254 HB3 PRO 58 HB1 PRO 58 -18.020 -9.240 -4.292 255 HG2 PRO 58 HG2 PRO 58 -16.074 -7.189 -3.312 256 HG3 PRO 58 HG1 PRO 58 -16.699 -7.448 -4.952 257 HD2 PRO 58 HD2 PRO 58 -17.648 -5.498 -3.348 258 HD3 PRO 58 HD1 PRO 58 -18.685 -6.357 -4.505 259 H GLN 59 HN GLN 59 -16.263 -7.430 -1.506 260 HA GLN 59 HA GLN 59 -14.928 -7.525 0.326 261 HB2 GLN 59 HB2 GLN 59 -17.523 -8.259 1.692 262 HB3 GLN 59 HB1 GLN 59 -16.036 -7.830 2.529 263 HG2 GLN 59 HG2 GLN 59 -16.098 -5.616 1.484 264 HG3 GLN 59 HG1 GLN 59 -17.605 -6.050 0.675 265 HE21 GLN 59 HE21 GLN 59 -19.494 -6.223 1.881 266 HE22 GLN 59 HE22 GLN 59 -19.633 -5.566 3.473 267 H ARG 60 HN ARG 60 -13.494 -9.123 0.028 268 HA ARG 60 HA ARG 60 -14.175 -11.887 0.067 269 HB2 ARG 60 HB2 ARG 60 -12.269 -11.006 -1.221 270 HB3 ARG 60 HB1 ARG 60 -11.463 -10.564 0.278 271 HG2 ARG 60 HG2 ARG 60 -10.516 -12.602 -0.551 272 HG3 ARG 60 HG1 ARG 60 -11.431 -12.954 0.917 273 HD2 ARG 60 HD2 ARG 60 -13.285 -13.782 -0.396 274 HD3 ARG 60 HD1 ARG 60 -12.468 -13.327 -1.891 275 HE ARG 60 HE ARG 60 -10.852 -15.098 -0.390 276 HH11 ARG 60 HH11 ARG 60 -13.725 -15.020 -2.359 277 HH12 ARG 60 HH12 ARG 60 -13.574 -16.666 -2.875 278 HH21 ARG 60 HH21 ARG 60 -10.642 -17.267 -1.068 279 HH22 ARG 60 HH22 ARG 60 -11.819 -17.944 -2.142 Start of MODEL 2 1 H1 ARG 28 HT1 ARG 28 23.948 -1.896 6.195 2 H2 ARG 28 HT2 ARG 28 25.248 -1.182 7.007 3 H3 ARG 28 HT3 ARG 28 25.087 -0.988 5.336 4 HA ARG 28 HA ARG 28 23.228 0.060 7.388 5 HB2 ARG 28 HB2 ARG 28 25.383 1.250 7.320 6 HB3 ARG 28 HB1 ARG 28 25.196 1.492 5.590 7 HG2 ARG 28 HG2 ARG 28 22.975 2.471 7.250 8 HG3 ARG 28 HG1 ARG 28 24.513 3.309 7.455 9 HD2 ARG 28 HD2 ARG 28 24.604 3.577 4.971 10 HD3 ARG 28 HD1 ARG 28 22.969 2.920 4.889 11 HE ARG 28 HE ARG 28 22.946 5.043 6.695 12 HH11 ARG 28 HH11 ARG 28 23.457 4.497 3.293 13 HH12 ARG 28 HH12 ARG 28 22.884 6.063 2.825 14 HH21 ARG 28 HH21 ARG 28 22.194 7.106 6.088 15 HH22 ARG 28 HH22 ARG 28 22.168 7.545 4.413 16 H ARG 29 HN ARG 29 21.228 -0.029 6.594 17 HA ARG 29 HA ARG 29 20.567 -0.352 3.893 18 HB2 ARG 29 HB2 ARG 29 18.907 0.751 6.168 19 HB3 ARG 29 HB1 ARG 29 18.263 0.297 4.596 20 HG2 ARG 29 HG2 ARG 29 19.676 -1.587 6.472 21 HG3 ARG 29 HG1 ARG 29 17.925 -1.420 6.338 22 HD2 ARG 29 HD2 ARG 29 18.013 -2.108 4.012 23 HD3 ARG 29 HD1 ARG 29 19.771 -2.202 4.086 24 HE ARG 29 HE ARG 29 18.786 -3.871 6.069 25 HH11 ARG 29 HH11 ARG 29 18.677 -3.636 2.594 26 HH12 ARG 29 HH12 ARG 29 18.531 -5.345 2.353 27 HH21 ARG 29 HH21 ARG 29 18.594 -6.125 5.761 28 HH22 ARG 29 HH22 ARG 29 18.485 -6.759 4.153 29 H CYS 30 HN CYS 30 20.737 1.023 2.273 30 HA CYS 30 HA CYS 30 20.934 3.882 2.851 31 HB2 CYS 30 HB2 CYS 30 21.574 2.433 0.276 32 HB3 CYS 30 HB1 CYS 30 21.980 4.097 0.678 33 HG CYS 30 HG CYS 30 23.732 1.393 1.176 34 H LEU 31 HN LEU 31 20.351 4.446 -0.023 35 HA LEU 31 HA LEU 31 17.740 5.320 0.198 36 HB2 LEU 31 HB2 LEU 31 19.407 4.685 -2.226 37 HB3 LEU 31 HB1 LEU 31 17.804 5.381 -2.349 38 HG LEU 31 HG LEU 31 19.494 7.109 -2.561 39 HD11 LEU 31 HD11 LEU 31 18.043 7.280 0.075 40 HD12 LEU 31 HD12 LEU 31 17.389 7.713 -1.505 41 HD13 LEU 31 HD13 LEU 31 18.726 8.637 -0.820 42 HD21 LEU 31 HD21 LEU 31 20.999 7.670 -0.727 43 HD22 LEU 31 HD22 LEU 31 21.291 6.029 -1.302 44 HD23 LEU 31 HD23 LEU 31 20.404 6.293 0.200 45 H PHE 32 HN PHE 32 18.895 2.152 -0.511 46 HA PHE 32 HA PHE 32 16.750 1.076 -1.943 47 HB2 PHE 32 HB2 PHE 32 18.428 -0.332 0.147 48 HB3 PHE 32 HB1 PHE 32 17.497 -1.101 -1.134 49 HD1 PHE 32 HD1 PHE 32 18.339 -1.257 -3.350 50 HD2 PHE 32 HD2 PHE 32 20.462 0.947 -0.393 51 HE1 PHE 32 HE1 PHE 32 20.296 -1.156 -4.837 52 HE2 PHE 32 HE2 PHE 32 22.423 1.053 -1.876 53 HZ PHE 32 HZ PHE 32 22.350 -0.007 -4.091 54 H LEU 33 HN LEU 33 16.952 2.174 1.255 55 HA LEU 33 HA LEU 33 15.153 0.622 2.665 56 HB2 LEU 33 HB2 LEU 33 16.641 2.649 3.364 57 HB3 LEU 33 HB1 LEU 33 15.220 3.601 2.974 58 HG LEU 33 HG LEU 33 13.962 2.055 4.600 59 HD11 LEU 33 HD11 LEU 33 15.657 0.332 4.792 60 HD12 LEU 33 HD12 LEU 33 15.370 1.084 6.362 61 HD13 LEU 33 HD13 LEU 33 16.808 1.507 5.430 62 HD21 LEU 33 HD21 LEU 33 14.444 4.396 5.061 63 HD22 LEU 33 HD22 LEU 33 16.062 3.966 5.617 64 HD23 LEU 33 HD23 LEU 33 14.646 3.419 6.516 65 H SER 34 HN SER 34 14.494 3.561 0.771 66 HA SER 34 HA SER 34 11.767 3.751 1.182 67 HB2 SER 34 HB2 SER 34 13.325 4.444 -1.319 68 HB3 SER 34 HB1 SER 34 11.697 5.009 -0.947 69 HG SER 34 HG SER 34 13.397 5.480 1.106 70 H LEU 35 HN LEU 35 13.504 1.834 -1.238 71 HA LEU 35 HA LEU 35 11.249 0.944 -2.676 72 HB2 LEU 35 HB2 LEU 35 13.765 -0.658 -2.280 73 HB3 LEU 35 HB1 LEU 35 12.679 -0.673 -3.656 74 HG LEU 35 HG LEU 35 14.199 1.813 -2.964 75 HD11 LEU 35 HD11 LEU 35 15.635 -0.332 -3.110 76 HD12 LEU 35 HD12 LEU 35 16.114 1.092 -4.040 77 HD13 LEU 35 HD13 LEU 35 15.286 -0.247 -4.839 78 HD21 LEU 35 HD21 LEU 35 13.183 0.641 -5.555 79 HD22 LEU 35 HD22 LEU 35 13.997 2.194 -5.369 80 HD23 LEU 35 HD23 LEU 35 12.413 1.936 -4.638 81 H PHE 36 HN PHE 36 13.241 -0.856 -0.365 82 HA PHE 36 HA PHE 36 11.600 -3.076 -0.103 83 HB2 PHE 36 HB2 PHE 36 14.031 -2.622 0.687 84 HB3 PHE 36 HB1 PHE 36 13.268 -2.056 2.173 85 HD1 PHE 36 HD1 PHE 36 13.760 -4.979 -0.015 86 HD2 PHE 36 HD2 PHE 36 12.348 -3.574 3.746 87 HE1 PHE 36 HE1 PHE 36 13.618 -7.298 0.792 88 HE2 PHE 36 HE2 PHE 36 12.204 -5.891 4.561 89 HZ PHE 36 HZ PHE 36 12.839 -7.757 3.083 90 H SER 37 HN SER 37 11.022 0.076 0.989 91 HA SER 37 HA SER 37 9.137 -0.869 3.041 92 HB2 SER 37 HB2 SER 37 9.144 1.435 3.893 93 HB3 SER 37 HB1 SER 37 10.782 0.785 3.823 94 HG SER 37 HG SER 37 10.915 2.773 2.917 95 H PHE 38 HN PHE 38 9.342 0.444 -0.094 96 HA PHE 38 HA PHE 38 6.775 1.733 -0.119 97 HB2 PHE 38 HB2 PHE 38 8.557 2.496 -1.606 98 HB3 PHE 38 HB1 PHE 38 8.602 0.919 -2.389 99 HD1 PHE 38 HD1 PHE 38 7.146 0.400 -4.152 100 HD2 PHE 38 HD2 PHE 38 6.493 3.908 -1.832 101 HE1 PHE 38 HE1 PHE 38 5.460 1.158 -5.777 102 HE2 PHE 38 HE2 PHE 38 4.806 4.671 -3.452 103 HZ PHE 38 HZ PHE 38 4.288 3.295 -5.427 104 H LEU 39 HN LEU 39 8.051 -1.411 -1.074 105 HA LEU 39 HA LEU 39 5.720 -2.301 -2.420 106 HB2 LEU 39 HB2 LEU 39 8.100 -3.687 -1.235 107 HB3 LEU 39 HB1 LEU 39 6.751 -4.616 -1.865 108 HG LEU 39 HG LEU 39 7.128 -3.224 -4.029 109 HD11 LEU 39 HD11 LEU 39 9.677 -2.800 -4.193 110 HD12 LEU 39 HD12 LEU 39 9.592 -2.711 -2.430 111 HD13 LEU 39 HD13 LEU 39 8.646 -1.596 -3.417 112 HD21 LEU 39 HD21 LEU 39 7.500 -5.630 -3.847 113 HD22 LEU 39 HD22 LEU 39 9.092 -5.338 -3.147 114 HD23 LEU 39 HD23 LEU 39 8.761 -4.867 -4.814 115 H ILE 40 HN ILE 40 6.538 -2.009 0.908 116 HA ILE 40 HA ILE 40 4.564 -3.928 1.805 117 HB ILE 40 HB ILE 40 6.206 -1.947 3.392 118 HG12 ILE 40 HG12 ILE 40 6.551 -4.935 3.074 119 HG13 ILE 40 HG11 ILE 40 7.493 -3.734 2.197 120 HG21 ILE 40 HG21 ILE 40 4.121 -2.578 4.522 121 HG22 ILE 40 HG22 ILE 40 5.535 -3.231 5.350 122 HG23 ILE 40 HG23 ILE 40 4.544 -4.281 4.336 123 HD11 ILE 40 HD11 ILE 40 8.740 -4.588 4.080 124 HD12 ILE 40 HD12 ILE 40 7.441 -4.126 5.180 125 HD13 ILE 40 HD13 ILE 40 8.358 -2.885 4.327 126 H VAL 41 HN VAL 41 4.963 -0.397 1.793 127 HA VAL 41 HA VAL 41 2.455 0.110 3.053 128 HB VAL 41 HB VAL 41 4.436 1.697 2.988 129 HG11 VAL 41 HG11 VAL 41 3.319 2.393 0.274 130 HG12 VAL 41 HG12 VAL 41 4.832 1.528 0.553 131 HG13 VAL 41 HG13 VAL 41 4.653 3.191 1.108 132 HG21 VAL 41 HG21 VAL 41 3.020 3.689 2.975 133 HG22 VAL 41 HG22 VAL 41 2.238 2.354 3.821 134 HG23 VAL 41 HG23 VAL 41 1.736 2.776 2.185 135 H ALA 42 HN ALA 42 3.454 -0.511 -0.190 136 HA ALA 42 HA ALA 42 1.483 0.750 -1.682 137 HB1 ALA 42 HB1 ALA 42 1.929 -0.904 -3.408 138 HB2 ALA 42 HB2 ALA 42 2.745 -1.934 -2.232 139 HB3 ALA 42 HB3 ALA 42 3.433 -0.366 -2.660 140 H GLY 43 HN GLY 43 1.335 -2.201 0.203 141 HA2 GLY 43 HA2 GLY 43 -1.262 -2.948 -0.837 142 HA3 GLY 43 HA1 GLY 43 -0.381 -3.752 0.454 143 H ALA 44 HN ALA 44 0.001 -1.211 1.916 144 HA ALA 44 HA ALA 44 -2.469 -1.281 3.390 145 HB1 ALA 44 HB1 ALA 44 -1.358 0.219 4.945 146 HB2 ALA 44 HB2 ALA 44 -0.037 0.455 3.800 147 HB3 ALA 44 HB3 ALA 44 -0.300 -1.130 4.528 148 H THR 45 HN THR 45 -1.107 0.665 0.907 149 HA THR 45 HA THR 45 -2.687 3.010 1.440 150 HB THR 45 HB THR 45 -1.899 3.761 -0.808 151 HG1 THR 45 HG1 THR 45 -1.508 1.974 -1.981 152 HG21 THR 45 HG21 THR 45 0.539 3.844 -0.174 153 HG22 THR 45 HG22 THR 45 0.144 2.798 1.189 154 HG23 THR 45 HG23 THR 45 -0.579 4.400 1.070 155 H THR 46 HN THR 46 -3.034 0.080 -0.385 156 HA THR 46 HA THR 46 -5.160 0.998 -2.069 157 HB THR 46 HB THR 46 -4.397 -1.842 -1.358 158 HG1 THR 46 HG1 THR 46 -3.158 -1.752 -3.240 159 HG21 THR 46 HG21 THR 46 -6.661 -1.625 -2.297 160 HG22 THR 46 HG22 THR 46 -5.566 -2.445 -3.413 161 HG23 THR 46 HG23 THR 46 -5.995 -0.755 -3.680 162 H LEU 47 HN LEU 47 -5.047 -1.190 0.740 163 HA LEU 47 HA LEU 47 -7.798 -1.568 1.002 164 HB2 LEU 47 HB2 LEU 47 -6.169 -2.968 2.135 165 HB3 LEU 47 HB1 LEU 47 -5.636 -1.611 3.106 166 HG LEU 47 HG LEU 47 -8.506 -2.327 3.306 167 HD11 LEU 47 HD11 LEU 47 -6.323 -4.015 4.523 168 HD12 LEU 47 HD12 LEU 47 -7.472 -4.530 3.288 169 HD13 LEU 47 HD13 LEU 47 -8.041 -4.120 4.906 170 HD21 LEU 47 HD21 LEU 47 -6.391 -1.610 5.335 171 HD22 LEU 47 HD22 LEU 47 -8.121 -1.763 5.643 172 HD23 LEU 47 HD23 LEU 47 -7.523 -0.483 4.587 173 H PHE 48 HN PHE 48 -5.726 1.020 2.156 174 HA PHE 48 HA PHE 48 -7.591 2.181 3.944 175 HB2 PHE 48 HB2 PHE 48 -5.155 2.653 3.986 176 HB3 PHE 48 HB1 PHE 48 -5.318 3.526 2.467 177 HD1 PHE 48 HD1 PHE 48 -6.041 3.573 6.057 178 HD2 PHE 48 HD2 PHE 48 -6.305 5.717 2.391 179 HE1 PHE 48 HE1 PHE 48 -6.557 5.632 7.302 180 HE2 PHE 48 HE2 PHE 48 -6.821 7.779 3.628 181 HZ PHE 48 HZ PHE 48 -6.947 7.739 6.087 182 H CYS 49 HN CYS 49 -6.570 3.261 0.695 183 HA CYS 49 HA CYS 49 -8.526 5.241 0.409 184 HB2 CYS 49 HB2 CYS 49 -7.122 3.631 -1.733 185 HB3 CYS 49 HB1 CYS 49 -8.025 5.116 -2.012 186 HG CYS 49 HG CYS 49 -4.892 4.837 -1.426 187 H LEU 50 HN LEU 50 -8.654 1.795 -0.142 188 HA LEU 50 HA LEU 50 -10.893 1.618 -1.786 189 HB2 LEU 50 HB2 LEU 50 -9.229 -0.178 -0.634 190 HB3 LEU 50 HB1 LEU 50 -10.665 -0.414 0.347 191 HG LEU 50 HG LEU 50 -11.922 -0.703 -1.866 192 HD11 LEU 50 HD11 LEU 50 -10.431 -1.553 -3.700 193 HD12 LEU 50 HD12 LEU 50 -9.068 -0.882 -2.800 194 HD13 LEU 50 HD13 LEU 50 -10.340 0.184 -3.400 195 HD21 LEU 50 HD21 LEU 50 -11.229 -3.060 -2.046 196 HD22 LEU 50 HD22 LEU 50 -11.470 -2.558 -0.373 197 HD23 LEU 50 HD23 LEU 50 -9.837 -2.714 -1.021 198 H LEU 51 HN LEU 51 -10.735 1.605 1.771 199 HA LEU 51 HA LEU 51 -13.579 1.567 2.065 200 HB2 LEU 51 HB2 LEU 51 -11.247 1.837 3.904 201 HB3 LEU 51 HB1 LEU 51 -12.825 2.333 4.486 202 HG LEU 51 HG LEU 51 -12.276 0.032 5.146 203 HD11 LEU 51 HD11 LEU 51 -14.350 -1.015 4.418 204 HD12 LEU 51 HD12 LEU 51 -14.528 0.198 3.150 205 HD13 LEU 51 HD13 LEU 51 -14.610 0.676 4.846 206 HD21 LEU 51 HD21 LEU 51 -12.175 -1.743 3.477 207 HD22 LEU 51 HD22 LEU 51 -10.877 -0.574 3.237 208 HD23 LEU 51 HD23 LEU 51 -12.293 -0.547 2.186 209 H HIS 52 HN HIS 52 -11.192 4.015 1.643 210 HA HIS 52 HA HIS 52 -12.550 6.198 2.801 211 HB2 HIS 52 HB2 HIS 52 -10.169 6.291 2.241 212 HB3 HIS 52 HB1 HIS 52 -10.554 6.163 0.527 213 HD1 HIS 52 HD1 HIS 52 -10.945 8.302 -0.694 214 HD2 HIS 52 HD2 HIS 52 -11.116 8.787 3.430 215 HE1 HIS 52 HE1 HIS 52 -11.129 10.781 -0.315 216 HE2 HIS 52 HE2 HIS 52 -11.261 11.051 2.186 217 H PHE 53 HN PHE 53 -12.835 4.622 -0.314 218 HA PHE 53 HA PHE 53 -14.311 6.702 -1.582 219 HB2 PHE 53 HB2 PHE 53 -14.083 3.754 -2.210 220 HB3 PHE 53 HB1 PHE 53 -14.934 4.912 -3.227 221 HD1 PHE 53 HD1 PHE 53 -13.307 7.177 -3.492 222 HD2 PHE 53 HD2 PHE 53 -12.089 3.117 -3.117 223 HE1 PHE 53 HE1 PHE 53 -11.204 7.705 -4.654 224 HE2 PHE 53 HE2 PHE 53 -9.983 3.636 -4.277 225 HZ PHE 53 HZ PHE 53 -9.539 5.933 -5.047 226 H GLY 54 HN GLY 54 -15.104 4.705 0.944 227 HA2 GLY 54 HA2 GLY 54 -17.101 4.485 2.080 228 HA3 GLY 54 HA1 GLY 54 -17.864 5.469 0.840 229 H VAL 55 HN VAL 55 -16.080 2.682 -0.148 230 HA VAL 55 HA VAL 55 -18.239 1.538 -1.516 231 HB VAL 55 HB VAL 55 -15.729 0.139 -0.578 232 HG11 VAL 55 HG11 VAL 55 -17.445 -1.421 -1.298 233 HG12 VAL 55 HG12 VAL 55 -16.140 -1.360 -2.483 234 HG13 VAL 55 HG13 VAL 55 -17.660 -0.522 -2.800 235 HG21 VAL 55 HG21 VAL 55 -15.226 2.163 -1.862 236 HG22 VAL 55 HG22 VAL 55 -16.271 1.595 -3.164 237 HG23 VAL 55 HG23 VAL 55 -14.802 0.706 -2.761 238 H ILE 56 HN ILE 56 -16.706 0.544 1.545 239 HA ILE 56 HA ILE 56 -19.054 -1.138 2.105 240 HB ILE 56 HB ILE 56 -16.454 -1.170 3.616 241 HG12 ILE 56 HG12 ILE 56 -15.976 -1.678 1.265 242 HG13 ILE 56 HG11 ILE 56 -15.804 -3.119 2.260 243 HG21 ILE 56 HG21 ILE 56 -18.696 -3.167 3.374 244 HG22 ILE 56 HG22 ILE 56 -18.341 -2.153 4.774 245 HG23 ILE 56 HG23 ILE 56 -17.206 -3.412 4.285 246 HD11 ILE 56 HD11 ILE 56 -16.904 -3.637 0.169 247 HD12 ILE 56 HD12 ILE 56 -18.156 -2.441 0.507 248 HD13 ILE 56 HD13 ILE 56 -18.011 -3.877 1.521 249 H GLY 57 HN GLY 57 -20.241 0.830 2.638 250 HA2 GLY 57 HA2 GLY 57 -19.481 2.470 4.841 251 HA3 GLY 57 HA1 GLY 57 -21.068 2.413 4.089 252 HA PRO 58 HA PRO 58 -21.496 0.839 8.461 253 HB2 PRO 58 HB2 PRO 58 -24.214 1.917 7.916 254 HB3 PRO 58 HB1 PRO 58 -23.191 2.110 9.344 255 HG2 PRO 58 HG2 PRO 58 -23.513 4.118 7.628 256 HG3 PRO 58 HG1 PRO 58 -21.936 3.808 8.379 257 HD2 PRO 58 HD2 PRO 58 -22.879 3.168 5.613 258 HD3 PRO 58 HD1 PRO 58 -21.290 3.747 6.157 259 H GLN 59 HN GLN 59 -21.376 -1.311 7.741 260 HA GLN 59 HA GLN 59 -23.425 -2.544 6.197 261 HB2 GLN 59 HB2 GLN 59 -22.291 -4.663 6.836 262 HB3 GLN 59 HB1 GLN 59 -21.199 -3.462 6.160 263 HG2 GLN 59 HG2 GLN 59 -20.449 -2.874 8.407 264 HG3 GLN 59 HG1 GLN 59 -21.544 -4.078 9.086 265 HE21 GLN 59 HE21 GLN 59 -18.603 -3.541 7.324 266 HE22 GLN 59 HE22 GLN 59 -17.991 -5.152 7.451 267 H ARG 60 HN ARG 60 -24.689 -4.432 6.982 268 HA ARG 60 HA ARG 60 -26.378 -3.686 9.100 269 HB2 ARG 60 HB2 ARG 60 -26.048 -6.412 7.834 270 HB3 ARG 60 HB1 ARG 60 -27.417 -5.887 8.802 271 HG2 ARG 60 HG2 ARG 60 -27.994 -4.227 7.128 272 HG3 ARG 60 HG1 ARG 60 -26.589 -4.688 6.166 273 HD2 ARG 60 HD2 ARG 60 -27.513 -6.957 5.940 274 HD3 ARG 60 HD1 ARG 60 -28.931 -6.458 6.860 275 HE ARG 60 HE ARG 60 -28.917 -4.686 4.846 276 HH11 ARG 60 HH11 ARG 60 -28.615 -8.157 4.890 277 HH12 ARG 60 HH12 ARG 60 -29.350 -8.370 3.336 278 HH21 ARG 60 HH21 ARG 60 -29.884 -4.956 2.798 279 HH22 ARG 60 HH22 ARG 60 -30.072 -6.550 2.148 Start of MODEL 3 1 H1 ARG 28 HT1 ARG 28 21.849 -10.903 -1.323 2 H2 ARG 28 HT2 ARG 28 23.063 -11.090 -0.162 3 H3 ARG 28 HT3 ARG 28 23.322 -10.091 -1.502 4 HA ARG 28 HA ARG 28 21.298 -9.625 0.606 5 HB2 ARG 28 HB2 ARG 28 23.462 -9.278 1.567 6 HB3 ARG 28 HB1 ARG 28 24.030 -8.424 0.139 7 HG2 ARG 28 HG2 ARG 28 21.694 -7.257 1.522 8 HG3 ARG 28 HG1 ARG 28 23.236 -7.195 2.380 9 HD2 ARG 28 HD2 ARG 28 22.761 -6.196 -0.429 10 HD3 ARG 28 HD1 ARG 28 22.830 -5.179 1.010 11 HE ARG 28 HE ARG 28 25.180 -6.733 0.806 12 HH11 ARG 28 HH11 ARG 28 23.587 -3.997 -0.651 13 HH12 ARG 28 HH12 ARG 28 25.061 -3.250 -1.166 14 HH21 ARG 28 HH21 ARG 28 27.126 -5.756 0.134 15 HH22 ARG 28 HH22 ARG 28 27.074 -4.249 -0.720 16 H ARG 29 HN ARG 29 19.780 -8.185 0.100 17 HA ARG 29 HA ARG 29 19.582 -7.144 -2.533 18 HB2 ARG 29 HB2 ARG 29 18.026 -6.451 -0.034 19 HB3 ARG 29 HB1 ARG 29 17.592 -5.944 -1.660 20 HG2 ARG 29 HG2 ARG 29 17.281 -8.267 -2.315 21 HG3 ARG 29 HG1 ARG 29 17.756 -8.794 -0.700 22 HD2 ARG 29 HD2 ARG 29 15.320 -8.783 -0.979 23 HD3 ARG 29 HD1 ARG 29 15.846 -7.648 0.263 24 HE ARG 29 HE ARG 29 15.687 -6.175 -2.049 25 HH11 ARG 29 HH11 ARG 29 13.496 -8.125 -0.165 26 HH12 ARG 29 HH12 ARG 29 12.096 -7.205 -0.606 27 HH21 ARG 29 HH21 ARG 29 13.847 -4.959 -2.633 28 HH22 ARG 29 HH22 ARG 29 12.295 -5.407 -2.007 29 H CYS 30 HN CYS 30 20.444 -5.358 -3.349 30 HA CYS 30 HA CYS 30 22.104 -3.663 -1.813 31 HB2 CYS 30 HB2 CYS 30 22.334 -2.348 -3.890 32 HB3 CYS 30 HB1 CYS 30 22.551 -4.073 -4.172 33 HG CYS 30 HG CYS 30 20.172 -4.490 -5.430 34 H LEU 31 HN LEU 31 21.268 -1.185 -3.258 35 HA LEU 31 HA LEU 31 20.028 0.183 -1.254 36 HB2 LEU 31 HB2 LEU 31 20.109 0.627 -4.213 37 HB3 LEU 31 HB1 LEU 31 19.218 1.726 -3.178 38 HG LEU 31 HG LEU 31 21.478 2.550 -3.699 39 HD11 LEU 31 HD11 LEU 31 22.150 3.072 -1.403 40 HD12 LEU 31 HD12 LEU 31 21.056 1.826 -0.804 41 HD13 LEU 31 HD13 LEU 31 20.409 3.242 -1.633 42 HD21 LEU 31 HD21 LEU 31 22.422 0.129 -2.163 43 HD22 LEU 31 HD22 LEU 31 23.437 1.452 -2.738 44 HD23 LEU 31 HD23 LEU 31 22.621 0.400 -3.894 45 H PHE 32 HN PHE 32 18.479 -1.918 -3.560 46 HA PHE 32 HA PHE 32 15.865 -0.949 -3.477 47 HB2 PHE 32 HB2 PHE 32 16.877 -3.785 -3.731 48 HB3 PHE 32 HB1 PHE 32 15.190 -3.331 -3.948 49 HD1 PHE 32 HD1 PHE 32 15.109 -1.046 -5.557 50 HD2 PHE 32 HD2 PHE 32 17.918 -4.239 -5.711 51 HE1 PHE 32 HE1 PHE 32 15.547 -0.541 -7.925 52 HE2 PHE 32 HE2 PHE 32 18.363 -3.739 -8.078 53 HZ PHE 32 HZ PHE 32 17.178 -1.888 -9.188 54 H LEU 33 HN LEU 33 17.735 -2.388 -1.036 55 HA LEU 33 HA LEU 33 15.922 -3.712 0.571 56 HB2 LEU 33 HB2 LEU 33 18.499 -3.301 0.786 57 HB3 LEU 33 HB1 LEU 33 18.011 -1.932 1.768 58 HG LEU 33 HG LEU 33 16.693 -3.584 3.183 59 HD11 LEU 33 HD11 LEU 33 17.479 -5.918 3.079 60 HD12 LEU 33 HD12 LEU 33 18.372 -5.530 1.607 61 HD13 LEU 33 HD13 LEU 33 16.610 -5.427 1.626 62 HD21 LEU 33 HD21 LEU 33 19.695 -3.860 3.065 63 HD22 LEU 33 HD22 LEU 33 18.671 -4.271 4.441 64 HD23 LEU 33 HD23 LEU 33 18.803 -2.595 3.910 65 H SER 34 HN SER 34 16.752 -0.251 0.580 66 HA SER 34 HA SER 34 14.723 0.334 2.555 67 HB2 SER 34 HB2 SER 34 16.827 1.587 2.585 68 HB3 SER 34 HB1 SER 34 16.510 2.181 0.954 69 HG SER 34 HG SER 34 15.925 3.626 2.733 70 H LEU 35 HN LEU 35 15.037 0.362 -0.892 71 HA LEU 35 HA LEU 35 12.947 2.167 -1.496 72 HB2 LEU 35 HB2 LEU 35 14.767 1.304 -3.050 73 HB3 LEU 35 HB1 LEU 35 13.830 -0.172 -3.183 74 HG LEU 35 HG LEU 35 13.619 1.583 -5.043 75 HD11 LEU 35 HD11 LEU 35 12.126 -0.446 -4.404 76 HD12 LEU 35 HD12 LEU 35 11.566 0.728 -5.597 77 HD13 LEU 35 HD13 LEU 35 10.966 0.799 -3.939 78 HD21 LEU 35 HD21 LEU 35 11.960 3.313 -4.699 79 HD22 LEU 35 HD22 LEU 35 13.287 3.520 -3.555 80 HD23 LEU 35 HD23 LEU 35 11.759 2.824 -3.017 81 H PHE 36 HN PHE 36 13.032 -1.190 -0.609 82 HA PHE 36 HA PHE 36 10.444 -1.916 -1.502 83 HB2 PHE 36 HB2 PHE 36 12.195 -3.564 -0.965 84 HB3 PHE 36 HB1 PHE 36 12.108 -3.101 0.731 85 HD1 PHE 36 HD1 PHE 36 10.108 -4.536 -2.042 86 HD2 PHE 36 HD2 PHE 36 10.594 -4.132 2.166 87 HE1 PHE 36 HE1 PHE 36 8.346 -6.214 -1.682 88 HE2 PHE 36 HE2 PHE 36 8.832 -5.810 2.534 89 HZ PHE 36 HZ PHE 36 7.705 -6.854 0.609 90 H SER 37 HN SER 37 11.532 -0.019 1.119 91 HA SER 37 HA SER 37 9.550 -0.508 3.039 92 HB2 SER 37 HB2 SER 37 11.051 2.054 2.452 93 HB3 SER 37 HB1 SER 37 10.125 1.734 3.919 94 HG SER 37 HG SER 37 12.534 1.300 3.846 95 H PHE 38 HN PHE 38 9.502 1.390 0.108 96 HA PHE 38 HA PHE 38 7.090 2.803 0.748 97 HB2 PHE 38 HB2 PHE 38 8.611 2.435 -1.837 98 HB3 PHE 38 HB1 PHE 38 7.150 3.410 -1.706 99 HD1 PHE 38 HD1 PHE 38 10.706 3.251 -1.105 100 HD2 PHE 38 HD2 PHE 38 7.150 5.436 -0.279 101 HE1 PHE 38 HE1 PHE 38 12.060 5.180 -0.395 102 HE2 PHE 38 HE2 PHE 38 8.497 7.370 0.431 103 HZ PHE 38 HZ PHE 38 10.956 7.242 0.373 104 H LEU 39 HN LEU 39 7.895 -0.182 -0.899 105 HA LEU 39 HA LEU 39 5.388 -0.590 -2.148 106 HB2 LEU 39 HB2 LEU 39 7.657 -2.401 -1.395 107 HB3 LEU 39 HB1 LEU 39 6.168 -3.061 -2.048 108 HG LEU 39 HG LEU 39 6.557 -1.417 -4.006 109 HD11 LEU 39 HD11 LEU 39 9.142 -1.330 -2.527 110 HD12 LEU 39 HD12 LEU 39 8.246 -0.017 -3.292 111 HD13 LEU 39 HD13 LEU 39 9.127 -1.180 -4.284 112 HD21 LEU 39 HD21 LEU 39 6.739 -3.859 -4.172 113 HD22 LEU 39 HD22 LEU 39 8.405 -3.769 -3.600 114 HD23 LEU 39 HD23 LEU 39 7.963 -3.046 -5.147 115 H ILE 40 HN ILE 40 6.450 -0.895 1.100 116 HA ILE 40 HA ILE 40 4.501 -2.811 1.948 117 HB ILE 40 HB ILE 40 6.093 -0.830 3.585 118 HG12 ILE 40 HG12 ILE 40 6.560 -3.783 3.137 119 HG13 ILE 40 HG11 ILE 40 7.430 -2.506 2.291 120 HG21 ILE 40 HG21 ILE 40 5.530 -2.232 5.499 121 HG22 ILE 40 HG22 ILE 40 4.550 -3.268 4.463 122 HG23 ILE 40 HG23 ILE 40 4.072 -1.593 4.741 123 HD11 ILE 40 HD11 ILE 40 7.464 -3.038 5.252 124 HD12 ILE 40 HD12 ILE 40 8.288 -1.701 4.450 125 HD13 ILE 40 HD13 ILE 40 8.762 -3.365 4.105 126 H VAL 41 HN VAL 41 4.767 0.729 2.155 127 HA VAL 41 HA VAL 41 2.232 1.033 3.440 128 HB VAL 41 HB VAL 41 4.259 2.664 3.447 129 HG11 VAL 41 HG11 VAL 41 4.335 2.899 0.979 130 HG12 VAL 41 HG12 VAL 41 4.194 4.438 1.829 131 HG13 VAL 41 HG13 VAL 41 2.780 3.732 1.046 132 HG21 VAL 41 HG21 VAL 41 1.426 3.660 3.172 133 HG22 VAL 41 HG22 VAL 41 2.759 4.555 3.901 134 HG23 VAL 41 HG23 VAL 41 2.188 3.063 4.647 135 H ALA 42 HN ALA 42 3.335 0.900 0.146 136 HA ALA 42 HA ALA 42 1.240 2.176 -1.174 137 HB1 ALA 42 HB1 ALA 42 3.323 1.447 -2.261 138 HB2 ALA 42 HB2 ALA 42 1.890 0.903 -3.133 139 HB3 ALA 42 HB3 ALA 42 2.792 -0.230 -2.126 140 H GLY 43 HN GLY 43 1.469 -1.079 0.138 141 HA2 GLY 43 HA2 GLY 43 -1.031 -1.930 -1.027 142 HA3 GLY 43 HA1 GLY 43 -0.058 -2.825 0.132 143 H ALA 44 HN ALA 44 -0.005 -0.444 1.940 144 HA ALA 44 HA ALA 44 -2.436 -1.072 3.362 145 HB1 ALA 44 HB1 ALA 44 -0.271 -0.831 4.524 146 HB2 ALA 44 HB2 ALA 44 -1.510 0.252 5.160 147 HB3 ALA 44 HB3 ALA 44 -0.255 0.879 4.091 148 H THR 45 HN THR 45 -1.286 1.433 1.283 149 HA THR 45 HA THR 45 -3.202 3.408 2.143 150 HB THR 45 HB THR 45 -2.434 4.675 0.124 151 HG1 THR 45 HG1 THR 45 -0.971 2.283 -0.240 152 HG21 THR 45 HG21 THR 45 -0.136 5.072 0.963 153 HG22 THR 45 HG22 THR 45 -0.294 3.649 1.994 154 HG23 THR 45 HG23 THR 45 -1.340 5.045 2.252 155 H THR 46 HN THR 46 -3.002 0.915 -0.288 156 HA THR 46 HA THR 46 -5.202 1.856 -1.860 157 HB THR 46 HB THR 46 -3.986 -0.912 -1.748 158 HG1 THR 46 HG1 THR 46 -2.408 0.023 -2.791 159 HG21 THR 46 HG21 THR 46 -6.246 -0.870 -2.727 160 HG22 THR 46 HG22 THR 46 -5.012 -1.238 -3.935 161 HG23 THR 46 HG23 THR 46 -5.720 0.376 -3.861 162 H LEU 47 HN LEU 47 -4.801 -0.743 0.536 163 HA LEU 47 HA LEU 47 -7.455 -1.653 0.501 164 HB2 LEU 47 HB2 LEU 47 -5.333 -2.676 1.576 165 HB3 LEU 47 HB1 LEU 47 -5.736 -1.681 2.962 166 HG LEU 47 HG LEU 47 -7.739 -3.601 1.808 167 HD11 LEU 47 HD11 LEU 47 -5.665 -4.218 3.908 168 HD12 LEU 47 HD12 LEU 47 -5.697 -4.870 2.270 169 HD13 LEU 47 HD13 LEU 47 -6.986 -5.273 3.404 170 HD21 LEU 47 HD21 LEU 47 -7.342 -2.346 4.522 171 HD22 LEU 47 HD22 LEU 47 -8.556 -3.570 4.151 172 HD23 LEU 47 HD23 LEU 47 -8.625 -1.994 3.364 173 H PHE 48 HN PHE 48 -5.863 0.897 2.331 174 HA PHE 48 HA PHE 48 -8.044 1.472 4.054 175 HB2 PHE 48 HB2 PHE 48 -5.757 2.141 4.602 176 HB3 PHE 48 HB1 PHE 48 -5.715 3.205 3.201 177 HD1 PHE 48 HD1 PHE 48 -7.263 2.672 6.506 178 HD2 PHE 48 HD2 PHE 48 -6.631 5.382 3.286 179 HE1 PHE 48 HE1 PHE 48 -8.146 4.509 7.884 180 HE2 PHE 48 HE2 PHE 48 -7.514 7.223 4.658 181 HZ PHE 48 HZ PHE 48 -8.267 6.792 6.959 182 H CYS 49 HN CYS 49 -6.933 2.889 0.993 183 HA CYS 49 HA CYS 49 -8.957 4.889 0.906 184 HB2 CYS 49 HB2 CYS 49 -8.119 5.449 -1.220 185 HB3 CYS 49 HB1 CYS 49 -6.716 4.860 -0.338 186 HG CYS 49 HG CYS 49 -8.322 3.471 -2.969 187 H LEU 50 HN LEU 50 -8.825 1.557 -0.014 188 HA LEU 50 HA LEU 50 -10.965 1.595 -1.884 189 HB2 LEU 50 HB2 LEU 50 -9.101 -0.277 -0.957 190 HB3 LEU 50 HB1 LEU 50 -10.671 -0.944 -0.540 191 HG LEU 50 HG LEU 50 -11.335 -0.585 -2.952 192 HD11 LEU 50 HD11 LEU 50 -9.308 -0.502 -4.498 193 HD12 LEU 50 HD12 LEU 50 -8.419 0.101 -3.096 194 HD13 LEU 50 HD13 LEU 50 -9.798 1.005 -3.722 195 HD21 LEU 50 HD21 LEU 50 -10.693 -2.777 -2.037 196 HD22 LEU 50 HD22 LEU 50 -9.009 -2.439 -2.444 197 HD23 LEU 50 HD23 LEU 50 -10.212 -2.592 -3.724 198 H LEU 51 HN LEU 51 -10.787 1.310 1.594 199 HA LEU 51 HA LEU 51 -13.347 0.239 2.059 200 HB2 LEU 51 HB2 LEU 51 -11.636 2.038 3.775 201 HB3 LEU 51 HB1 LEU 51 -13.101 1.250 4.332 202 HG LEU 51 HG LEU 51 -10.640 -0.198 3.348 203 HD11 LEU 51 HD11 LEU 51 -10.194 0.963 5.436 204 HD12 LEU 51 HD12 LEU 51 -10.290 -0.778 5.699 205 HD13 LEU 51 HD13 LEU 51 -11.642 0.258 6.154 206 HD21 LEU 51 HD21 LEU 51 -12.708 -1.449 3.001 207 HD22 LEU 51 HD22 LEU 51 -13.142 -1.214 4.694 208 HD23 LEU 51 HD23 LEU 51 -11.729 -2.180 4.273 209 H HIS 52 HN HIS 52 -12.305 3.404 1.157 210 HA HIS 52 HA HIS 52 -14.684 4.757 2.036 211 HB2 HIS 52 HB2 HIS 52 -12.469 5.634 0.173 212 HB3 HIS 52 HB1 HIS 52 -13.767 6.677 0.746 213 HD1 HIS 52 HD1 HIS 52 -13.845 6.887 3.491 214 HD2 HIS 52 HD2 HIS 52 -10.273 5.665 1.756 215 HE1 HIS 52 HE1 HIS 52 -12.080 7.274 5.241 216 HE2 HIS 52 HE2 HIS 52 -9.930 6.497 4.180 217 H PHE 53 HN PHE 53 -13.632 3.135 -0.863 218 HA PHE 53 HA PHE 53 -15.555 4.284 -2.618 219 HB2 PHE 53 HB2 PHE 53 -13.856 1.801 -2.762 220 HB3 PHE 53 HB1 PHE 53 -15.025 2.195 -4.016 221 HD1 PHE 53 HD1 PHE 53 -11.824 3.050 -2.514 222 HD2 PHE 53 HD2 PHE 53 -14.697 4.127 -5.461 223 HE1 PHE 53 HE1 PHE 53 -10.157 4.494 -3.603 224 HE2 PHE 53 HE2 PHE 53 -13.037 5.574 -6.556 225 HZ PHE 53 HZ PHE 53 -10.763 5.761 -5.627 226 H GLY 54 HN GLY 54 -15.896 2.201 -0.036 227 HA2 GLY 54 HA2 GLY 54 -17.718 1.054 0.771 228 HA3 GLY 54 HA1 GLY 54 -18.656 1.769 -0.530 229 H VAL 55 HN VAL 55 -15.807 -0.111 -1.190 230 HA VAL 55 HA VAL 55 -16.997 -1.800 -3.033 231 HB VAL 55 HB VAL 55 -15.020 -3.298 -2.691 232 HG11 VAL 55 HG11 VAL 55 -14.433 -0.349 -2.945 233 HG12 VAL 55 HG12 VAL 55 -14.936 -1.425 -4.248 234 HG13 VAL 55 HG13 VAL 55 -13.373 -1.658 -3.466 235 HG21 VAL 55 HG21 VAL 55 -14.318 -1.282 -0.557 236 HG22 VAL 55 HG22 VAL 55 -13.251 -2.548 -1.165 237 HG23 VAL 55 HG23 VAL 55 -14.724 -2.979 -0.298 238 H ILE 56 HN ILE 56 -16.812 -2.081 0.439 239 HA ILE 56 HA ILE 56 -17.745 -4.828 0.428 240 HB ILE 56 HB ILE 56 -17.388 -2.987 2.792 241 HG12 ILE 56 HG12 ILE 56 -15.267 -3.189 1.620 242 HG13 ILE 56 HG11 ILE 56 -15.209 -4.133 3.105 243 HG21 ILE 56 HG21 ILE 56 -17.583 -5.989 2.595 244 HG22 ILE 56 HG22 ILE 56 -18.803 -4.899 3.256 245 HG23 ILE 56 HG23 ILE 56 -17.249 -5.081 4.070 246 HD11 ILE 56 HD11 ILE 56 -14.158 -5.343 1.309 247 HD12 ILE 56 HD12 ILE 56 -15.612 -5.200 0.320 248 HD13 ILE 56 HD13 ILE 56 -15.639 -6.169 1.794 249 H GLY 57 HN GLY 57 -19.820 -5.238 0.088 250 HA2 GLY 57 HA2 GLY 57 -21.825 -3.241 0.870 251 HA3 GLY 57 HA1 GLY 57 -22.077 -4.562 -0.262 252 HA PRO 58 HA PRO 58 -24.104 -5.732 3.756 253 HB2 PRO 58 HB2 PRO 58 -26.132 -7.109 2.520 254 HB3 PRO 58 HB1 PRO 58 -26.207 -5.395 2.940 255 HG2 PRO 58 HG2 PRO 58 -25.581 -6.677 0.313 256 HG3 PRO 58 HG1 PRO 58 -26.570 -5.245 0.655 257 HD2 PRO 58 HD2 PRO 58 -24.053 -5.046 -0.273 258 HD3 PRO 58 HD1 PRO 58 -24.726 -3.868 0.873 259 H GLN 59 HN GLN 59 -24.146 -7.870 0.889 260 HA GLN 59 HA GLN 59 -23.637 -10.077 0.640 261 HB2 GLN 59 HB2 GLN 59 -21.495 -9.351 2.648 262 HB3 GLN 59 HB1 GLN 59 -21.502 -10.800 1.652 263 HG2 GLN 59 HG2 GLN 59 -21.434 -9.369 -0.361 264 HG3 GLN 59 HG1 GLN 59 -21.310 -7.957 0.688 265 HE21 GLN 59 HE21 GLN 59 -19.306 -7.376 -0.122 266 HE22 GLN 59 HE22 GLN 59 -17.867 -8.260 0.241 267 H ARG 60 HN ARG 60 -25.752 -9.723 2.340 268 HA ARG 60 HA ARG 60 -27.012 -10.750 3.927 269 HB2 ARG 60 HB2 ARG 60 -26.449 -12.724 2.562 270 HB3 ARG 60 HB1 ARG 60 -25.015 -12.987 3.543 271 HG2 ARG 60 HG2 ARG 60 -26.370 -13.435 5.484 272 HG3 ARG 60 HG1 ARG 60 -27.838 -13.046 4.586 273 HD2 ARG 60 HD2 ARG 60 -25.940 -15.315 3.995 274 HD3 ARG 60 HD1 ARG 60 -27.523 -15.460 4.757 275 HE ARG 60 HE ARG 60 -27.491 -14.231 2.130 276 HH11 ARG 60 HH11 ARG 60 -27.914 -17.142 3.998 277 HH12 ARG 60 HH12 ARG 60 -28.808 -17.959 2.759 278 HH21 ARG 60 HH21 ARG 60 -28.663 -15.298 0.496 279 HH22 ARG 60 HH22 ARG 60 -29.233 -16.911 0.767 Start of MODEL 4 1 H1 ARG 28 HT1 ARG 28 26.551 -0.729 1.408 2 H2 ARG 28 HT2 ARG 28 25.864 -1.725 2.588 3 H3 ARG 28 HT3 ARG 28 27.274 -0.856 2.932 4 HA ARG 28 HA ARG 28 25.335 0.156 3.959 5 HB2 ARG 28 HB2 ARG 28 27.216 1.582 3.337 6 HB3 ARG 28 HB1 ARG 28 26.582 1.743 1.704 7 HG2 ARG 28 HG2 ARG 28 24.776 2.565 3.889 8 HG3 ARG 28 HG1 ARG 28 26.202 3.568 3.625 9 HD2 ARG 28 HD2 ARG 28 24.293 2.774 1.434 10 HD3 ARG 28 HD1 ARG 28 24.141 4.268 2.356 11 HE ARG 28 HE ARG 28 26.709 3.839 1.089 12 HH11 ARG 28 HH11 ARG 28 23.535 5.261 0.857 13 HH12 ARG 28 HH12 ARG 28 24.001 6.420 -0.342 14 HH21 ARG 28 HH21 ARG 28 27.332 5.364 -0.487 15 HH22 ARG 28 HH22 ARG 28 26.160 6.480 -1.106 16 H ARG 29 HN ARG 29 23.195 0.037 3.836 17 HA ARG 29 HA ARG 29 21.770 -0.408 1.449 18 HB2 ARG 29 HB2 ARG 29 20.874 0.537 4.174 19 HB3 ARG 29 HB1 ARG 29 19.753 0.204 2.862 20 HG2 ARG 29 HG2 ARG 29 21.695 -1.823 3.943 21 HG3 ARG 29 HG1 ARG 29 20.036 -1.645 4.520 22 HD2 ARG 29 HD2 ARG 29 20.827 -2.220 1.665 23 HD3 ARG 29 HD1 ARG 29 20.281 -3.428 2.827 24 HE ARG 29 HE ARG 29 18.291 -1.563 2.805 25 HH11 ARG 29 HH11 ARG 29 19.867 -3.490 0.364 26 HH12 ARG 29 HH12 ARG 29 18.464 -3.585 -0.648 27 HH21 ARG 29 HH21 ARG 29 16.443 -1.683 1.478 28 HH22 ARG 29 HH22 ARG 29 16.519 -2.556 -0.016 29 H CYS 30 HN CYS 30 21.353 0.968 -0.133 30 HA CYS 30 HA CYS 30 21.592 3.831 0.369 31 HB2 CYS 30 HB2 CYS 30 21.497 2.223 -2.187 32 HB3 CYS 30 HB1 CYS 30 21.556 3.982 -2.147 33 HG CYS 30 HG CYS 30 23.975 2.211 -0.546 34 H LEU 31 HN LEU 31 19.982 4.377 -2.089 35 HA LEU 31 HA LEU 31 17.614 5.165 -0.953 36 HB2 LEU 31 HB2 LEU 31 18.344 4.522 -3.790 37 HB3 LEU 31 HB1 LEU 31 16.729 5.062 -3.376 38 HG LEU 31 HG LEU 31 18.117 6.908 -4.184 39 HD11 LEU 31 HD11 LEU 31 16.348 7.382 -2.581 40 HD12 LEU 31 HD12 LEU 31 17.716 8.472 -2.355 41 HD13 LEU 31 HD13 LEU 31 17.472 7.122 -1.247 42 HD21 LEU 31 HD21 LEU 31 19.851 6.352 -1.775 43 HD22 LEU 31 HD22 LEU 31 20.016 7.714 -2.884 44 HD23 LEU 31 HD23 LEU 31 20.299 6.072 -3.457 45 H PHE 32 HN PHE 32 18.497 1.987 -1.977 46 HA PHE 32 HA PHE 32 15.996 0.841 -2.452 47 HB2 PHE 32 HB2 PHE 32 18.526 -0.336 -1.296 48 HB3 PHE 32 HB1 PHE 32 17.103 -1.304 -1.664 49 HD1 PHE 32 HD1 PHE 32 16.625 -1.984 -3.872 50 HD2 PHE 32 HD2 PHE 32 19.710 0.853 -3.134 51 HE1 PHE 32 HE1 PHE 32 17.386 -2.212 -6.202 52 HE2 PHE 32 HE2 PHE 32 20.477 0.630 -5.462 53 HZ PHE 32 HZ PHE 32 19.308 -0.918 -7.000 54 H LEU 33 HN LEU 33 17.349 2.059 0.408 55 HA LEU 33 HA LEU 33 16.255 0.537 2.436 56 HB2 LEU 33 HB2 LEU 33 17.804 2.650 2.455 57 HB3 LEU 33 HB1 LEU 33 16.293 3.527 2.611 58 HG LEU 33 HG LEU 33 15.814 2.064 4.642 59 HD11 LEU 33 HD11 LEU 33 17.413 0.308 4.244 60 HD12 LEU 33 HD12 LEU 33 17.826 1.139 5.745 61 HD13 LEU 33 HD13 LEU 33 18.744 1.466 4.274 62 HD21 LEU 33 HD21 LEU 33 18.173 3.941 4.744 63 HD22 LEU 33 HD22 LEU 33 17.160 3.468 6.107 64 HD23 LEU 33 HD23 LEU 33 16.476 4.417 4.787 65 H SER 34 HN SER 34 14.800 3.204 0.610 66 HA SER 34 HA SER 34 12.262 2.848 1.994 67 HB2 SER 34 HB2 SER 34 13.034 5.136 1.579 68 HB3 SER 34 HB1 SER 34 13.081 4.819 -0.155 69 HG SER 34 HG SER 34 10.841 4.551 -0.120 70 H LEU 35 HN LEU 35 13.826 1.874 -0.889 71 HA LEU 35 HA LEU 35 11.509 1.467 -2.499 72 HB2 LEU 35 HB2 LEU 35 13.857 1.701 -3.358 73 HB3 LEU 35 HB1 LEU 35 14.200 0.111 -2.709 74 HG LEU 35 HG LEU 35 13.686 0.357 -5.226 75 HD11 LEU 35 HD11 LEU 35 13.801 -1.719 -3.686 76 HD12 LEU 35 HD12 LEU 35 13.100 -1.865 -5.299 77 HD13 LEU 35 HD13 LEU 35 12.048 -1.746 -3.887 78 HD21 LEU 35 HD21 LEU 35 10.868 0.289 -4.148 79 HD22 LEU 35 HD22 LEU 35 11.352 0.186 -5.840 80 HD23 LEU 35 HD23 LEU 35 11.621 1.676 -4.936 81 H PHE 36 HN PHE 36 13.176 -0.364 -0.065 82 HA PHE 36 HA PHE 36 11.805 -2.839 -0.675 83 HB2 PHE 36 HB2 PHE 36 14.156 -2.709 0.249 84 HB3 PHE 36 HB1 PHE 36 13.452 -2.183 1.774 85 HD1 PHE 36 HD1 PHE 36 13.614 -4.982 -0.632 86 HD2 PHE 36 HD2 PHE 36 12.516 -3.729 3.285 87 HE1 PHE 36 HE1 PHE 36 13.292 -7.332 0.027 88 HE2 PHE 36 HE2 PHE 36 12.194 -6.076 3.950 89 HZ PHE 36 HZ PHE 36 12.602 -7.884 2.319 90 H SER 37 HN SER 37 11.142 -0.012 1.049 91 HA SER 37 HA SER 37 9.176 -1.364 2.764 92 HB2 SER 37 HB2 SER 37 10.742 0.116 3.947 93 HB3 SER 37 HB1 SER 37 10.255 1.464 2.918 94 HG SER 37 HG SER 37 8.460 0.017 4.570 95 H PHE 38 HN PHE 38 9.349 -0.040 -0.190 96 HA PHE 38 HA PHE 38 6.945 1.565 -0.142 97 HB2 PHE 38 HB2 PHE 38 8.811 2.126 -1.657 98 HB3 PHE 38 HB1 PHE 38 8.601 0.585 -2.481 99 HD1 PHE 38 HD1 PHE 38 6.832 0.248 -4.053 100 HD2 PHE 38 HD2 PHE 38 7.155 3.910 -1.908 101 HE1 PHE 38 HE1 PHE 38 5.211 1.284 -5.585 102 HE2 PHE 38 HE2 PHE 38 5.532 4.952 -3.436 103 HZ PHE 38 HZ PHE 38 4.557 3.638 -5.277 104 H LEU 39 HN LEU 39 7.951 -1.603 -1.354 105 HA LEU 39 HA LEU 39 5.488 -2.306 -2.538 106 HB2 LEU 39 HB2 LEU 39 7.900 -3.811 -1.618 107 HB3 LEU 39 HB1 LEU 39 6.464 -4.706 -2.077 108 HG LEU 39 HG LEU 39 7.910 -4.658 -3.959 109 HD11 LEU 39 HD11 LEU 39 5.545 -4.296 -4.476 110 HD12 LEU 39 HD12 LEU 39 6.598 -3.490 -5.637 111 HD13 LEU 39 HD13 LEU 39 5.793 -2.553 -4.379 112 HD21 LEU 39 HD21 LEU 39 9.107 -2.597 -2.974 113 HD22 LEU 39 HD22 LEU 39 7.984 -1.674 -3.976 114 HD23 LEU 39 HD23 LEU 39 9.089 -2.829 -4.724 115 H ILE 40 HN ILE 40 6.497 -2.126 0.717 116 HA ILE 40 HA ILE 40 4.548 -4.018 1.719 117 HB ILE 40 HB ILE 40 6.522 -2.180 3.066 118 HG12 ILE 40 HG12 ILE 40 7.546 -4.239 3.831 119 HG13 ILE 40 HG11 ILE 40 6.239 -5.191 3.138 120 HG21 ILE 40 HG21 ILE 40 4.523 -2.192 4.445 121 HG22 ILE 40 HG22 ILE 40 5.806 -3.126 5.216 122 HG23 ILE 40 HG23 ILE 40 4.482 -3.955 4.397 123 HD11 ILE 40 HD11 ILE 40 8.326 -5.252 1.826 124 HD12 ILE 40 HD12 ILE 40 8.172 -3.517 1.553 125 HD13 ILE 40 HD13 ILE 40 6.954 -4.622 0.914 126 H VAL 41 HN VAL 41 5.077 -0.499 1.894 127 HA VAL 41 HA VAL 41 2.643 0.027 3.263 128 HB VAL 41 HB VAL 41 4.757 1.513 3.088 129 HG11 VAL 41 HG11 VAL 41 4.735 1.618 0.609 130 HG12 VAL 41 HG12 VAL 41 4.743 3.204 1.380 131 HG13 VAL 41 HG13 VAL 41 3.247 2.564 0.699 132 HG21 VAL 41 HG21 VAL 41 1.999 2.714 2.876 133 HG22 VAL 41 HG22 VAL 41 3.427 3.527 3.515 134 HG23 VAL 41 HG23 VAL 41 2.767 2.120 4.348 135 H ALA 42 HN ALA 42 3.434 -0.486 -0.051 136 HA ALA 42 HA ALA 42 1.425 0.963 -1.340 137 HB1 ALA 42 HB1 ALA 42 3.292 -0.107 -2.514 138 HB2 ALA 42 HB2 ALA 42 1.736 -0.555 -3.213 139 HB3 ALA 42 HB3 ALA 42 2.594 -1.690 -2.171 140 H GLY 43 HN GLY 43 1.315 -2.148 0.290 141 HA2 GLY 43 HA2 GLY 43 -1.330 -2.786 -0.670 142 HA3 GLY 43 HA1 GLY 43 -0.420 -3.666 0.549 143 H ALA 44 HN ALA 44 -0.012 -1.027 1.994 144 HA ALA 44 HA ALA 44 -2.403 -1.228 3.609 145 HB1 ALA 44 HB1 ALA 44 0.018 0.534 3.968 146 HB2 ALA 44 HB2 ALA 44 -0.185 -1.079 4.652 147 HB3 ALA 44 HB3 ALA 44 -1.246 0.234 5.162 148 H THR 45 HN THR 45 -1.073 0.919 1.229 149 HA THR 45 HA THR 45 -2.694 3.184 1.887 150 HB THR 45 HB THR 45 -1.979 4.047 -0.346 151 HG1 THR 45 HG1 THR 45 -1.424 2.516 -1.705 152 HG21 THR 45 HG21 THR 45 0.258 2.964 1.370 153 HG22 THR 45 HG22 THR 45 -0.645 4.448 1.681 154 HG23 THR 45 HG23 THR 45 0.368 4.316 0.243 155 H THR 46 HN THR 46 -2.840 0.675 -0.626 156 HA THR 46 HA THR 46 -5.121 1.618 -1.951 157 HB THR 46 HB THR 46 -4.209 -1.253 -1.667 158 HG1 THR 46 HG1 THR 46 -2.975 -0.846 -3.470 159 HG21 THR 46 HG21 THR 46 -6.492 -1.084 -2.510 160 HG22 THR 46 HG22 THR 46 -5.394 -1.594 -3.793 161 HG23 THR 46 HG23 THR 46 -5.968 0.072 -3.734 162 H LEU 47 HN LEU 47 -4.774 -0.603 0.777 163 HA LEU 47 HA LEU 47 -7.425 -1.437 1.001 164 HB2 LEU 47 HB2 LEU 47 -5.307 -2.234 2.236 165 HB3 LEU 47 HB1 LEU 47 -5.645 -0.944 3.373 166 HG LEU 47 HG LEU 47 -7.737 -3.002 2.744 167 HD11 LEU 47 HD11 LEU 47 -6.942 -4.322 4.635 168 HD12 LEU 47 HD12 LEU 47 -5.555 -3.245 4.811 169 HD13 LEU 47 HD13 LEU 47 -5.724 -4.237 3.362 170 HD21 LEU 47 HD21 LEU 47 -7.154 -1.238 5.121 171 HD22 LEU 47 HD22 LEU 47 -8.435 -2.449 5.056 172 HD23 LEU 47 HD23 LEU 47 -8.479 -1.061 3.968 173 H PHE 48 HN PHE 48 -5.807 1.420 2.305 174 HA PHE 48 HA PHE 48 -8.021 2.327 3.842 175 HB2 PHE 48 HB2 PHE 48 -5.703 3.025 4.305 176 HB3 PHE 48 HB1 PHE 48 -5.658 3.881 2.768 177 HD1 PHE 48 HD1 PHE 48 -6.713 6.010 2.503 178 HD2 PHE 48 HD2 PHE 48 -7.077 3.853 6.154 179 HE1 PHE 48 HE1 PHE 48 -7.600 8.025 3.601 180 HE2 PHE 48 HE2 PHE 48 -7.966 5.865 7.259 181 HZ PHE 48 HZ PHE 48 -8.219 7.956 5.984 182 H CYS 49 HN CYS 49 -6.631 3.555 0.795 183 HA CYS 49 HA CYS 49 -8.574 5.446 0.223 184 HB2 CYS 49 HB2 CYS 49 -6.453 5.283 -0.989 185 HB3 CYS 49 HB1 CYS 49 -6.980 3.775 -1.730 186 HG CYS 49 HG CYS 49 -7.919 4.923 -3.812 187 H LEU 50 HN LEU 50 -8.717 1.987 -0.118 188 HA LEU 50 HA LEU 50 -10.914 1.938 -1.945 189 HB2 LEU 50 HB2 LEU 50 -9.132 0.080 -1.044 190 HB3 LEU 50 HB1 LEU 50 -10.580 -0.379 -0.167 191 HG LEU 50 HG LEU 50 -11.761 -0.379 -2.431 192 HD11 LEU 50 HD11 LEU 50 -8.890 -0.171 -3.289 193 HD12 LEU 50 HD12 LEU 50 -10.255 0.832 -3.781 194 HD13 LEU 50 HD13 LEU 50 -10.150 -0.841 -4.327 195 HD21 LEU 50 HD21 LEU 50 -10.948 -2.626 -2.969 196 HD22 LEU 50 HD22 LEU 50 -11.186 -2.422 -1.232 197 HD23 LEU 50 HD23 LEU 50 -9.558 -2.376 -1.912 198 H LEU 51 HN LEU 51 -10.628 1.477 1.568 199 HA LEU 51 HA LEU 51 -13.347 1.023 2.077 200 HB2 LEU 51 HB2 LEU 51 -11.199 2.196 3.839 201 HB3 LEU 51 HB1 LEU 51 -12.791 1.737 4.411 202 HG LEU 51 HG LEU 51 -10.798 -0.166 3.174 203 HD11 LEU 51 HD11 LEU 51 -10.002 0.648 5.322 204 HD12 LEU 51 HD12 LEU 51 -10.522 -1.032 5.448 205 HD13 LEU 51 HD13 LEU 51 -11.554 0.259 6.062 206 HD21 LEU 51 HD21 LEU 51 -12.313 -1.897 4.032 207 HD22 LEU 51 HD22 LEU 51 -13.096 -0.867 2.834 208 HD23 LEU 51 HD23 LEU 51 -13.439 -0.642 4.549 209 H HIS 52 HN HIS 52 -11.616 3.932 1.397 210 HA HIS 52 HA HIS 52 -13.311 5.820 2.598 211 HB2 HIS 52 HB2 HIS 52 -11.072 6.354 1.697 212 HB3 HIS 52 HB1 HIS 52 -11.684 6.117 0.064 213 HD1 HIS 52 HD1 HIS 52 -11.625 8.558 2.862 214 HD2 HIS 52 HD2 HIS 52 -13.391 8.171 -0.880 215 HE1 HIS 52 HE1 HIS 52 -12.521 10.840 2.303 216 HE2 HIS 52 HE2 HIS 52 -13.515 10.601 -0.001 217 H PHE 53 HN PHE 53 -13.539 4.074 -0.436 218 HA PHE 53 HA PHE 53 -15.788 5.658 -1.347 219 HB2 PHE 53 HB2 PHE 53 -14.537 3.158 -2.504 220 HB3 PHE 53 HB1 PHE 53 -15.803 4.106 -3.276 221 HD1 PHE 53 HD1 PHE 53 -15.215 6.675 -3.547 222 HD2 PHE 53 HD2 PHE 53 -12.363 3.543 -3.120 223 HE1 PHE 53 HE1 PHE 53 -13.509 8.087 -4.618 224 HE2 PHE 53 HE2 PHE 53 -10.652 4.952 -4.188 225 HZ PHE 53 HZ PHE 53 -11.224 7.228 -4.939 226 H GLY 54 HN GLY 54 -15.361 3.123 0.781 227 HA2 GLY 54 HA2 GLY 54 -16.860 1.784 1.897 228 HA3 GLY 54 HA1 GLY 54 -18.141 2.731 1.155 229 H VAL 55 HN VAL 55 -15.815 1.159 -0.865 230 HA VAL 55 HA VAL 55 -17.696 -0.203 -2.398 231 HB VAL 55 HB VAL 55 -15.755 -1.554 -3.237 232 HG11 VAL 55 HG11 VAL 55 -14.596 0.361 -4.249 233 HG12 VAL 55 HG12 VAL 55 -15.374 1.435 -3.086 234 HG13 VAL 55 HG13 VAL 55 -16.348 0.564 -4.270 235 HG21 VAL 55 HG21 VAL 55 -13.519 -1.009 -2.462 236 HG22 VAL 55 HG22 VAL 55 -14.494 -1.615 -1.123 237 HG23 VAL 55 HG23 VAL 55 -14.182 0.114 -1.274 238 H ILE 56 HN ILE 56 -15.976 -1.205 0.489 239 HA ILE 56 HA ILE 56 -17.462 -3.752 0.419 240 HB ILE 56 HB ILE 56 -14.772 -3.264 1.704 241 HG12 ILE 56 HG12 ILE 56 -14.617 -3.313 -0.743 242 HG13 ILE 56 HG11 ILE 56 -13.883 -4.749 -0.041 243 HG21 ILE 56 HG21 ILE 56 -16.069 -4.891 2.934 244 HG22 ILE 56 HG22 ILE 56 -14.770 -5.704 2.060 245 HG23 ILE 56 HG23 ILE 56 -16.423 -5.773 1.448 246 HD11 ILE 56 HD11 ILE 56 -16.636 -4.623 -1.250 247 HD12 ILE 56 HD12 ILE 56 -15.831 -6.060 -0.621 248 HD13 ILE 56 HD13 ILE 56 -15.191 -5.245 -2.047 249 H GLY 57 HN GLY 57 -18.910 -3.986 1.981 250 HA2 GLY 57 HA2 GLY 57 -18.451 -2.618 4.553 251 HA3 GLY 57 HA1 GLY 57 -20.002 -2.482 3.740 252 HA PRO 58 HA PRO 58 -21.179 -6.194 5.845 253 HB2 PRO 58 HB2 PRO 58 -23.260 -7.020 4.387 254 HB3 PRO 58 HB1 PRO 58 -23.319 -5.495 5.280 255 HG2 PRO 58 HG2 PRO 58 -22.827 -5.966 2.367 256 HG3 PRO 58 HG1 PRO 58 -23.817 -4.720 3.147 257 HD2 PRO 58 HD2 PRO 58 -21.250 -4.320 2.220 258 HD3 PRO 58 HD1 PRO 58 -22.024 -3.346 3.487 259 H GLN 59 HN GLN 59 -19.195 -6.353 3.447 260 HA GLN 59 HA GLN 59 -18.038 -7.967 2.347 261 HB2 GLN 59 HB2 GLN 59 -19.497 -9.839 4.222 262 HB3 GLN 59 HB1 GLN 59 -18.092 -10.255 3.250 263 HG2 GLN 59 HG2 GLN 59 -16.761 -8.611 4.472 264 HG3 GLN 59 HG1 GLN 59 -18.169 -8.205 5.453 265 HE21 GLN 59 HE21 GLN 59 -17.164 -8.802 7.359 266 HE22 GLN 59 HE22 GLN 59 -16.862 -10.451 7.773 267 H ARG 60 HN ARG 60 -18.387 -10.185 1.137 268 HA ARG 60 HA ARG 60 -19.357 -11.186 -0.659 269 HB2 ARG 60 HB2 ARG 60 -21.852 -10.642 0.960 270 HB3 ARG 60 HB1 ARG 60 -21.790 -11.691 -0.451 271 HG2 ARG 60 HG2 ARG 60 -20.132 -13.103 0.727 272 HG3 ARG 60 HG1 ARG 60 -20.338 -12.089 2.157 273 HD2 ARG 60 HD2 ARG 60 -21.691 -14.121 2.297 274 HD3 ARG 60 HD1 ARG 60 -22.700 -12.676 2.252 275 HE ARG 60 HE ARG 60 -22.232 -13.985 -0.296 276 HH11 ARG 60 HH11 ARG 60 -24.330 -13.572 2.455 277 HH12 ARG 60 HH12 ARG 60 -25.732 -14.177 1.637 278 HH21 ARG 60 HH21 ARG 60 -24.073 -14.778 -1.380 279 HH22 ARG 60 HH22 ARG 60 -25.589 -14.859 -0.543 Start of MODEL 5 1 H1 ARG 28 HT1 ARG 28 25.292 -5.217 -3.308 2 H2 ARG 28 HT2 ARG 28 26.568 -5.103 -2.203 3 H3 ARG 28 HT3 ARG 28 26.162 -3.772 -3.167 4 HA ARG 28 HA ARG 28 24.435 -4.981 -1.085 5 HB2 ARG 28 HB2 ARG 28 24.904 -3.040 0.251 6 HB3 ARG 28 HB1 ARG 28 26.439 -3.751 -0.227 7 HG2 ARG 28 HG2 ARG 28 27.020 -1.689 -0.833 8 HG3 ARG 28 HG1 ARG 28 25.961 -1.927 -2.226 9 HD2 ARG 28 HD2 ARG 28 25.333 0.138 -1.218 10 HD3 ARG 28 HD1 ARG 28 24.080 -1.037 -0.822 11 HE ARG 28 HE ARG 28 26.122 -0.835 1.182 12 HH11 ARG 28 HH11 ARG 28 23.133 0.527 0.016 13 HH12 ARG 28 HH12 ARG 28 22.687 1.189 1.555 14 HH21 ARG 28 HH21 ARG 28 25.542 0.030 3.208 15 HH22 ARG 28 HH22 ARG 28 24.057 0.909 3.367 16 H ARG 29 HN ARG 29 22.364 -4.211 -0.986 17 HA ARG 29 HA ARG 29 21.330 -2.911 -3.301 18 HB2 ARG 29 HB2 ARG 29 20.165 -4.567 -1.631 19 HB3 ARG 29 HB1 ARG 29 19.785 -3.098 -0.741 20 HG2 ARG 29 HG2 ARG 29 18.545 -2.214 -2.564 21 HG3 ARG 29 HG1 ARG 29 19.098 -3.500 -3.639 22 HD2 ARG 29 HD2 ARG 29 17.926 -5.144 -2.216 23 HD3 ARG 29 HD1 ARG 29 17.316 -3.818 -1.227 24 HE ARG 29 HE ARG 29 16.319 -3.035 -3.467 25 HH11 ARG 29 HH11 ARG 29 16.710 -6.360 -2.494 26 HH12 ARG 29 HH12 ARG 29 15.368 -6.924 -3.432 27 HH21 ARG 29 HH21 ARG 29 14.554 -3.773 -4.704 28 HH22 ARG 29 HH22 ARG 29 14.144 -5.455 -4.688 29 H CYS 30 HN CYS 30 21.372 -0.827 -3.714 30 HA CYS 30 HA CYS 30 22.195 1.065 -1.726 31 HB2 CYS 30 HB2 CYS 30 22.738 0.994 -4.271 32 HB3 CYS 30 HB1 CYS 30 21.194 1.821 -4.453 33 HG CYS 30 HG CYS 30 22.179 4.158 -4.109 34 H LEU 31 HN LEU 31 20.567 3.242 -2.980 35 HA LEU 31 HA LEU 31 18.689 3.667 -1.060 36 HB2 LEU 31 HB2 LEU 31 18.848 4.562 -3.912 37 HB3 LEU 31 HB1 LEU 31 17.475 5.021 -2.924 38 HG LEU 31 HG LEU 31 19.198 6.774 -3.001 39 HD11 LEU 31 HD11 LEU 31 18.928 5.517 -0.275 40 HD12 LEU 31 HD12 LEU 31 17.732 6.558 -1.046 41 HD13 LEU 31 HD13 LEU 31 19.317 7.202 -0.621 42 HD21 LEU 31 HD21 LEU 31 21.176 5.389 -3.250 43 HD22 LEU 31 HD22 LEU 31 20.941 4.727 -1.633 44 HD23 LEU 31 HD23 LEU 31 21.335 6.433 -1.837 45 H PHE 32 HN PHE 32 18.395 1.502 -3.762 46 HA PHE 32 HA PHE 32 15.641 1.269 -4.027 47 HB2 PHE 32 HB2 PHE 32 17.746 -0.900 -4.214 48 HB3 PHE 32 HB1 PHE 32 16.088 -1.063 -4.782 49 HD1 PHE 32 HD1 PHE 32 15.371 -0.061 -6.826 50 HD2 PHE 32 HD2 PHE 32 19.310 0.606 -5.358 51 HE1 PHE 32 HE1 PHE 32 16.021 0.876 -9.006 52 HE2 PHE 32 HE2 PHE 32 19.966 1.545 -7.535 53 HZ PHE 32 HZ PHE 32 18.321 1.681 -9.362 54 H LEU 33 HN LEU 33 17.632 0.451 -1.399 55 HA LEU 33 HA LEU 33 16.304 -1.673 -0.193 56 HB2 LEU 33 HB2 LEU 33 18.517 -0.386 0.401 57 HB3 LEU 33 HB1 LEU 33 17.457 0.555 1.435 58 HG LEU 33 HG LEU 33 16.727 -1.698 2.433 59 HD11 LEU 33 HD11 LEU 33 19.267 -2.524 1.036 60 HD12 LEU 33 HD12 LEU 33 17.646 -3.152 0.740 61 HD13 LEU 33 HD13 LEU 33 18.443 -3.463 2.282 62 HD21 LEU 33 HD21 LEU 33 19.536 -0.682 2.849 63 HD22 LEU 33 HD22 LEU 33 18.639 -1.710 3.966 64 HD23 LEU 33 HD23 LEU 33 18.080 -0.071 3.633 65 H SER 34 HN SER 34 15.915 1.813 0.465 66 HA SER 34 HA SER 34 13.694 1.483 2.188 67 HB2 SER 34 HB2 SER 34 15.102 3.487 2.258 68 HB3 SER 34 HB1 SER 34 14.583 3.923 0.630 69 HG SER 34 HG SER 34 12.945 3.735 2.940 70 H LEU 35 HN LEU 35 14.015 1.720 -1.259 71 HA LEU 35 HA LEU 35 11.391 2.521 -1.901 72 HB2 LEU 35 HB2 LEU 35 13.329 2.532 -3.467 73 HB3 LEU 35 HB1 LEU 35 13.257 0.783 -3.520 74 HG LEU 35 HG LEU 35 12.218 2.138 -5.455 75 HD11 LEU 35 HD11 LEU 35 10.381 0.093 -4.286 76 HD12 LEU 35 HD12 LEU 35 12.007 -0.346 -4.807 77 HD13 LEU 35 HD13 LEU 35 10.864 0.338 -5.966 78 HD21 LEU 35 HD21 LEU 35 9.904 2.770 -5.173 79 HD22 LEU 35 HD22 LEU 35 10.899 3.652 -4.014 80 HD23 LEU 35 HD23 LEU 35 9.938 2.271 -3.483 81 H PHE 36 HN PHE 36 12.824 -0.631 -1.267 82 HA PHE 36 HA PHE 36 10.603 -2.178 -2.099 83 HB2 PHE 36 HB2 PHE 36 12.864 -3.118 -1.845 84 HB3 PHE 36 HB1 PHE 36 12.777 -2.861 -0.107 85 HD1 PHE 36 HD1 PHE 36 11.328 -4.765 -2.920 86 HD2 PHE 36 HD2 PHE 36 11.701 -4.412 1.304 87 HE1 PHE 36 HE1 PHE 36 10.320 -6.994 -2.649 88 HE2 PHE 36 HE2 PHE 36 10.694 -6.639 1.584 89 HZ PHE 36 HZ PHE 36 9.996 -7.931 -0.394 90 H SER 37 HN SER 37 11.232 -0.320 0.725 91 HA SER 37 HA SER 37 9.369 -1.727 2.416 92 HB2 SER 37 HB2 SER 37 11.301 -0.587 3.404 93 HB3 SER 37 HB1 SER 37 10.720 0.957 2.784 94 HG SER 37 HG SER 37 9.578 -0.679 4.786 95 H PHE 38 HN PHE 38 9.114 0.556 -0.056 96 HA PHE 38 HA PHE 38 6.779 1.913 0.958 97 HB2 PHE 38 HB2 PHE 38 8.276 3.130 -0.507 98 HB3 PHE 38 HB1 PHE 38 8.092 1.916 -1.767 99 HD1 PHE 38 HD1 PHE 38 6.549 2.254 -3.442 100 HD2 PHE 38 HD2 PHE 38 6.082 4.322 0.247 101 HE1 PHE 38 HE1 PHE 38 4.669 3.522 -4.397 102 HE2 PHE 38 HE2 PHE 38 4.200 5.595 -0.700 103 HZ PHE 38 HZ PHE 38 3.492 5.194 -3.025 104 H LEU 39 HN LEU 39 7.482 -0.735 -1.246 105 HA LEU 39 HA LEU 39 4.879 -0.996 -2.321 106 HB2 LEU 39 HB2 LEU 39 7.196 -2.894 -2.070 107 HB3 LEU 39 HB1 LEU 39 5.673 -3.393 -2.783 108 HG LEU 39 HG LEU 39 6.012 -1.378 -4.368 109 HD11 LEU 39 HD11 LEU 39 8.556 -1.086 -4.707 110 HD12 LEU 39 HD12 LEU 39 8.667 -1.640 -3.033 111 HD13 LEU 39 HD13 LEU 39 7.751 -0.184 -3.422 112 HD21 LEU 39 HD21 LEU 39 7.384 -2.745 -5.871 113 HD22 LEU 39 HD22 LEU 39 6.133 -3.705 -5.081 114 HD23 LEU 39 HD23 LEU 39 7.802 -3.802 -4.522 115 H ILE 40 HN ILE 40 6.148 -1.689 0.748 116 HA ILE 40 HA ILE 40 4.286 -3.805 1.393 117 HB ILE 40 HB ILE 40 6.094 -2.224 3.227 118 HG12 ILE 40 HG12 ILE 40 6.511 -4.987 2.070 119 HG13 ILE 40 HG11 ILE 40 7.257 -3.531 1.418 120 HG21 ILE 40 HG21 ILE 40 4.651 -4.836 3.665 121 HG22 ILE 40 HG22 ILE 40 4.213 -3.283 4.379 122 HG23 ILE 40 HG23 ILE 40 5.744 -4.050 4.805 123 HD11 ILE 40 HD11 ILE 40 7.668 -4.643 4.184 124 HD12 ILE 40 HD12 ILE 40 8.413 -3.181 3.540 125 HD13 ILE 40 HD13 ILE 40 8.799 -4.750 2.836 126 H VAL 41 HN VAL 41 4.771 -0.422 2.403 127 HA VAL 41 HA VAL 41 2.424 -0.315 3.991 128 HB VAL 41 HB VAL 41 4.480 1.244 4.060 129 HG11 VAL 41 HG11 VAL 41 4.337 1.895 1.672 130 HG12 VAL 41 HG12 VAL 41 4.356 3.270 2.776 131 HG13 VAL 41 HG13 VAL 41 2.840 2.757 2.034 132 HG21 VAL 41 HG21 VAL 41 1.700 2.401 4.236 133 HG22 VAL 41 HG22 VAL 41 3.145 3.062 4.999 134 HG23 VAL 41 HG23 VAL 41 2.526 1.489 5.500 135 H ALA 42 HN ALA 42 3.010 -0.028 0.618 136 HA ALA 42 HA ALA 42 0.960 1.618 -0.251 137 HB1 ALA 42 HB1 ALA 42 2.703 0.739 -1.721 138 HB2 ALA 42 HB2 ALA 42 1.095 0.427 -2.375 139 HB3 ALA 42 HB3 ALA 42 1.998 -0.873 -1.598 140 H GLY 43 HN GLY 43 0.858 -1.770 0.714 141 HA2 GLY 43 HA2 GLY 43 -1.842 -2.191 -0.138 142 HA3 GLY 43 HA1 GLY 43 -0.903 -3.249 0.903 143 H ALA 44 HN ALA 44 -0.328 -1.134 2.844 144 HA ALA 44 HA ALA 44 -2.692 -1.429 4.438 145 HB1 ALA 44 HB1 ALA 44 -0.190 0.162 4.989 146 HB2 ALA 44 HB2 ALA 44 -0.449 -1.528 5.420 147 HB3 ALA 44 HB3 ALA 44 -1.432 -0.268 6.165 148 H THR 45 HN THR 45 -1.346 1.058 2.418 149 HA THR 45 HA THR 45 -3.006 3.162 3.498 150 HB THR 45 HB THR 45 -2.130 4.500 1.573 151 HG1 THR 45 HG1 THR 45 -1.007 1.991 0.959 152 HG21 THR 45 HG21 THR 45 0.175 4.614 2.407 153 HG22 THR 45 HG22 THR 45 -0.058 3.085 3.254 154 HG23 THR 45 HG23 THR 45 -0.986 4.507 3.729 155 H THR 46 HN THR 46 -2.920 1.192 0.551 156 HA THR 46 HA THR 46 -5.135 2.421 -0.706 157 HB THR 46 HB THR 46 -5.219 0.337 -2.093 158 HG1 THR 46 HG1 THR 46 -3.770 -0.606 -0.019 159 HG21 THR 46 HG21 THR 46 -2.503 1.605 -1.723 160 HG22 THR 46 HG22 THR 46 -3.801 2.201 -2.757 161 HG23 THR 46 HG23 THR 46 -3.008 0.671 -3.130 162 H LEU 47 HN LEU 47 -4.851 -0.520 1.271 163 HA LEU 47 HA LEU 47 -7.397 -1.515 1.110 164 HB2 LEU 47 HB2 LEU 47 -5.512 -2.531 2.365 165 HB3 LEU 47 HB1 LEU 47 -5.739 -1.337 3.627 166 HG LEU 47 HG LEU 47 -8.070 -3.042 2.896 167 HD11 LEU 47 HD11 LEU 47 -5.748 -3.992 4.569 168 HD12 LEU 47 HD12 LEU 47 -6.246 -4.648 3.010 169 HD13 LEU 47 HD13 LEU 47 -7.304 -4.806 4.412 170 HD21 LEU 47 HD21 LEU 47 -8.455 -2.879 5.332 171 HD22 LEU 47 HD22 LEU 47 -8.363 -1.303 4.547 172 HD23 LEU 47 HD23 LEU 47 -6.991 -1.907 5.475 173 H PHE 48 HN PHE 48 -6.279 1.245 2.973 174 HA PHE 48 HA PHE 48 -8.849 1.617 4.251 175 HB2 PHE 48 HB2 PHE 48 -6.790 2.146 5.475 176 HB3 PHE 48 HB1 PHE 48 -6.374 3.355 4.266 177 HD1 PHE 48 HD1 PHE 48 -7.142 5.546 4.458 178 HD2 PHE 48 HD2 PHE 48 -8.922 2.482 6.814 179 HE1 PHE 48 HE1 PHE 48 -8.379 7.249 5.731 180 HE2 PHE 48 HE2 PHE 48 -10.163 4.180 8.091 181 HZ PHE 48 HZ PHE 48 -9.894 6.566 7.549 182 H CYS 49 HN CYS 49 -6.829 3.575 2.057 183 HA CYS 49 HA CYS 49 -8.916 5.438 1.512 184 HB2 CYS 49 HB2 CYS 49 -6.320 4.954 0.043 185 HB3 CYS 49 HB1 CYS 49 -7.360 6.361 -0.149 186 HG CYS 49 HG CYS 49 -6.517 7.708 1.897 187 H LEU 50 HN LEU 50 -7.269 3.158 -0.693 188 HA LEU 50 HA LEU 50 -8.813 3.456 -2.918 189 HB2 LEU 50 HB2 LEU 50 -6.789 1.991 -2.637 190 HB3 LEU 50 HB1 LEU 50 -7.844 0.777 -1.937 191 HG LEU 50 HG LEU 50 -9.163 0.929 -4.141 192 HD11 LEU 50 HD11 LEU 50 -7.676 1.583 -6.060 193 HD12 LEU 50 HD12 LEU 50 -6.606 2.332 -4.872 194 HD13 LEU 50 HD13 LEU 50 -8.258 2.918 -5.065 195 HD21 LEU 50 HD21 LEU 50 -6.363 -0.193 -4.128 196 HD22 LEU 50 HD22 LEU 50 -7.666 -0.670 -5.216 197 HD23 LEU 50 HD23 LEU 50 -7.799 -0.990 -3.487 198 H LEU 51 HN LEU 51 -9.452 1.020 -0.379 199 HA LEU 51 HA LEU 51 -11.878 0.131 -1.501 200 HB2 LEU 51 HB2 LEU 51 -10.895 -0.018 1.346 201 HB3 LEU 51 HB1 LEU 51 -12.291 -0.880 0.729 202 HG LEU 51 HG LEU 51 -9.431 -1.274 -0.162 203 HD11 LEU 51 HD11 LEU 51 -11.283 -3.032 1.443 204 HD12 LEU 51 HD12 LEU 51 -9.862 -2.182 2.050 205 HD13 LEU 51 HD13 LEU 51 -9.676 -3.481 0.872 206 HD21 LEU 51 HD21 LEU 51 -10.344 -3.180 -1.440 207 HD22 LEU 51 HD22 LEU 51 -10.932 -1.624 -2.023 208 HD23 LEU 51 HD23 LEU 51 -11.974 -2.644 -1.032 209 H HIS 52 HN HIS 52 -11.138 2.865 0.510 210 HA HIS 52 HA HIS 52 -13.710 3.300 1.589 211 HB2 HIS 52 HB2 HIS 52 -11.769 4.426 2.516 212 HB3 HIS 52 HB1 HIS 52 -11.489 5.267 0.996 213 HD1 HIS 52 HD1 HIS 52 -12.408 7.556 0.896 214 HD2 HIS 52 HD2 HIS 52 -14.411 5.210 3.680 215 HE1 HIS 52 HE1 HIS 52 -14.052 9.096 2.014 216 HE2 HIS 52 HE2 HIS 52 -15.301 7.639 3.645 217 H PHE 53 HN PHE 53 -12.265 4.104 -1.495 218 HA PHE 53 HA PHE 53 -14.374 5.884 -2.292 219 HB2 PHE 53 HB2 PHE 53 -12.236 4.533 -3.954 220 HB3 PHE 53 HB1 PHE 53 -13.288 5.836 -4.499 221 HD1 PHE 53 HD1 PHE 53 -10.116 5.103 -3.309 222 HD2 PHE 53 HD2 PHE 53 -13.241 7.958 -2.860 223 HE1 PHE 53 HE1 PHE 53 -8.488 6.750 -2.480 224 HE2 PHE 53 HE2 PHE 53 -11.617 9.612 -2.033 225 HZ PHE 53 HZ PHE 53 -9.233 9.011 -1.859 226 H GLY 54 HN GLY 54 -14.040 2.527 -2.119 227 HA2 GLY 54 HA2 GLY 54 -15.442 0.818 -2.745 228 HA3 GLY 54 HA1 GLY 54 -16.621 2.046 -3.180 229 H VAL 55 HN VAL 55 -13.451 2.025 -4.611 230 HA VAL 55 HA VAL 55 -14.387 2.088 -7.237 231 HB VAL 55 HB VAL 55 -12.062 1.582 -7.918 232 HG11 VAL 55 HG11 VAL 55 -12.697 3.866 -7.366 233 HG12 VAL 55 HG12 VAL 55 -11.032 3.548 -6.875 234 HG13 VAL 55 HG13 VAL 55 -12.319 3.576 -5.668 235 HG21 VAL 55 HG21 VAL 55 -11.470 -0.040 -6.225 236 HG22 VAL 55 HG22 VAL 55 -11.628 1.179 -4.959 237 HG23 VAL 55 HG23 VAL 55 -10.344 1.316 -6.161 238 H ILE 56 HN ILE 56 -13.859 -0.596 -5.123 239 HA ILE 56 HA ILE 56 -14.103 -2.476 -7.372 240 HB ILE 56 HB ILE 56 -13.378 -3.141 -4.520 241 HG12 ILE 56 HG12 ILE 56 -11.667 -1.672 -5.453 242 HG13 ILE 56 HG11 ILE 56 -11.048 -3.314 -5.328 243 HG21 ILE 56 HG21 ILE 56 -14.306 -4.993 -5.805 244 HG22 ILE 56 HG22 ILE 56 -12.591 -5.248 -5.479 245 HG23 ILE 56 HG23 ILE 56 -13.115 -4.718 -7.077 246 HD11 ILE 56 HD11 ILE 56 -12.024 -1.960 -7.833 247 HD12 ILE 56 HD12 ILE 56 -11.471 -3.631 -7.727 248 HD13 ILE 56 HD13 ILE 56 -10.349 -2.309 -7.404 249 H GLY 57 HN GLY 57 -16.092 -3.150 -7.787 250 HA2 GLY 57 HA2 GLY 57 -17.759 -4.211 -5.695 251 HA3 GLY 57 HA1 GLY 57 -18.386 -2.721 -6.377 252 HA PRO 58 HA PRO 58 -20.440 -5.163 -9.445 253 HB2 PRO 58 HB2 PRO 58 -20.058 -2.917 -11.323 254 HB3 PRO 58 HB1 PRO 58 -21.555 -3.635 -10.720 255 HG2 PRO 58 HG2 PRO 58 -20.742 -1.214 -9.911 256 HG3 PRO 58 HG1 PRO 58 -21.566 -2.335 -8.810 257 HD2 PRO 58 HD2 PRO 58 -18.648 -1.695 -9.031 258 HD3 PRO 58 HD1 PRO 58 -19.643 -1.939 -7.578 259 H GLN 59 HN GLN 59 -19.048 -6.789 -10.020 260 HA GLN 59 HA GLN 59 -16.978 -6.162 -12.014 261 HB2 GLN 59 HB2 GLN 59 -17.258 -8.570 -10.208 262 HB3 GLN 59 HB1 GLN 59 -15.968 -8.325 -11.376 263 HG2 GLN 59 HG2 GLN 59 -15.236 -6.340 -10.157 264 HG3 GLN 59 HG1 GLN 59 -16.532 -6.585 -8.986 265 HE21 GLN 59 HE21 GLN 59 -15.108 -6.801 -7.274 266 HE22 GLN 59 HE22 GLN 59 -14.120 -8.203 -7.060 267 H ARG 60 HN ARG 60 -16.846 -7.294 -13.932 268 HA ARG 60 HA ARG 60 -18.751 -9.401 -14.513 269 HB2 ARG 60 HB2 ARG 60 -20.070 -7.408 -14.988 270 HB3 ARG 60 HB1 ARG 60 -18.789 -6.775 -16.012 271 HG2 ARG 60 HG2 ARG 60 -19.104 -8.642 -17.560 272 HG3 ARG 60 HG1 ARG 60 -20.396 -9.267 -16.533 273 HD2 ARG 60 HD2 ARG 60 -21.715 -7.279 -16.917 274 HD3 ARG 60 HD1 ARG 60 -20.399 -6.549 -17.839 275 HE ARG 60 HE ARG 60 -21.065 -8.988 -19.034 276 HH11 ARG 60 HH11 ARG 60 -22.455 -5.836 -18.503 277 HH12 ARG 60 HH12 ARG 60 -23.426 -5.883 -19.937 278 HH21 ARG 60 HH21 ARG 60 -22.339 -9.055 -20.921 279 HH22 ARG 60 HH22 ARG 60 -23.358 -7.711 -21.311 Start of MODEL 6 1 H1 ARG 28 HT1 ARG 28 23.144 -10.731 -2.816 2 H2 ARG 28 HT2 ARG 28 22.676 -9.595 -3.979 3 H3 ARG 28 HT3 ARG 28 21.505 -10.378 -3.043 4 HA ARG 28 HA ARG 28 22.264 -9.304 -1.061 5 HB2 ARG 28 HB2 ARG 28 24.653 -9.213 -1.720 6 HB3 ARG 28 HB1 ARG 28 24.267 -7.940 -2.874 7 HG2 ARG 28 HG2 ARG 28 23.408 -7.419 -0.113 8 HG3 ARG 28 HG1 ARG 28 25.152 -7.510 -0.358 9 HD2 ARG 28 HD2 ARG 28 24.989 -5.832 -2.132 10 HD3 ARG 28 HD1 ARG 28 23.244 -5.742 -1.898 11 HE ARG 28 HE ARG 28 24.270 -5.191 0.561 12 HH11 ARG 28 HH11 ARG 28 24.750 -3.875 -2.630 13 HH12 ARG 28 HH12 ARG 28 25.102 -2.279 -2.059 14 HH21 ARG 28 HH21 ARG 28 24.732 -3.093 1.323 15 HH22 ARG 28 HH22 ARG 28 25.092 -1.833 0.189 16 H ARG 29 HN ARG 29 20.474 -8.127 -0.773 17 HA ARG 29 HA ARG 29 19.269 -6.556 -2.774 18 HB2 ARG 29 HB2 ARG 29 18.926 -6.338 0.226 19 HB3 ARG 29 HB1 ARG 29 17.832 -5.686 -0.987 20 HG2 ARG 29 HG2 ARG 29 17.801 -8.218 -1.774 21 HG3 ARG 29 HG1 ARG 29 18.215 -8.478 -0.079 22 HD2 ARG 29 HD2 ARG 29 15.855 -6.888 -1.075 23 HD3 ARG 29 HD1 ARG 29 15.786 -8.548 -0.486 24 HE ARG 29 HE ARG 29 16.962 -7.013 1.509 25 HH11 ARG 29 HH11 ARG 29 13.901 -7.236 -0.139 26 HH12 ARG 29 HH12 ARG 29 12.985 -6.660 1.212 27 HH21 ARG 29 HH21 ARG 29 15.763 -6.250 3.295 28 HH22 ARG 29 HH22 ARG 29 14.042 -6.099 3.163 29 H CYS 30 HN CYS 30 19.902 -4.686 -3.572 30 HA CYS 30 HA CYS 30 21.939 -3.154 -2.191 31 HB2 CYS 30 HB2 CYS 30 20.761 -2.960 -4.961 32 HB3 CYS 30 HB1 CYS 30 21.966 -1.833 -4.347 33 HG CYS 30 HG CYS 30 23.887 -3.883 -3.927 34 H LEU 31 HN LEU 31 21.107 -0.697 -3.648 35 HA LEU 31 HA LEU 31 19.979 0.735 -1.611 36 HB2 LEU 31 HB2 LEU 31 19.906 1.173 -4.584 37 HB3 LEU 31 HB1 LEU 31 19.230 2.335 -3.460 38 HG LEU 31 HG LEU 31 21.463 3.006 -4.155 39 HD11 LEU 31 HD11 LEU 31 20.741 3.608 -1.918 40 HD12 LEU 31 HD12 LEU 31 22.477 3.298 -1.949 41 HD13 LEU 31 HD13 LEU 31 21.378 2.089 -1.286 42 HD21 LEU 31 HD21 LEU 31 22.342 0.748 -4.631 43 HD22 LEU 31 HD22 LEU 31 22.443 0.444 -2.896 44 HD23 LEU 31 HD23 LEU 31 23.430 1.709 -3.629 45 H PHE 32 HN PHE 32 18.366 -1.387 -3.811 46 HA PHE 32 HA PHE 32 15.766 -0.385 -3.753 47 HB2 PHE 32 HB2 PHE 32 16.647 -3.280 -3.804 48 HB3 PHE 32 HB1 PHE 32 15.044 -2.694 -4.235 49 HD1 PHE 32 HD1 PHE 32 14.737 -1.319 -6.262 50 HD2 PHE 32 HD2 PHE 32 18.463 -3.146 -5.321 51 HE1 PHE 32 HE1 PHE 32 15.476 -0.999 -8.587 52 HE2 PHE 32 HE2 PHE 32 19.210 -2.828 -7.644 53 HZ PHE 32 HZ PHE 32 17.716 -1.753 -9.281 54 H LEU 33 HN LEU 33 17.646 -1.724 -1.268 55 HA LEU 33 HA LEU 33 15.854 -2.969 0.418 56 HB2 LEU 33 HB2 LEU 33 18.456 -2.446 0.568 57 HB3 LEU 33 HB1 LEU 33 17.894 -1.128 1.580 58 HG LEU 33 HG LEU 33 18.536 -3.008 2.957 59 HD11 LEU 33 HD11 LEU 33 15.536 -2.729 2.883 60 HD12 LEU 33 HD12 LEU 33 16.652 -1.647 3.716 61 HD13 LEU 33 HD13 LEU 33 16.494 -3.324 4.238 62 HD21 LEU 33 HD21 LEU 33 17.386 -5.157 2.818 63 HD22 LEU 33 HD22 LEU 33 18.233 -4.782 1.317 64 HD23 LEU 33 HD23 LEU 33 16.483 -4.586 1.415 65 H SER 34 HN SER 34 16.762 0.482 0.418 66 HA SER 34 HA SER 34 14.688 1.143 2.302 67 HB2 SER 34 HB2 SER 34 16.810 2.370 2.311 68 HB3 SER 34 HB1 SER 34 16.500 2.937 0.670 69 HG SER 34 HG SER 34 15.773 4.098 2.887 70 H LEU 35 HN LEU 35 14.621 0.459 -0.921 71 HA LEU 35 HA LEU 35 12.619 2.455 -1.633 72 HB2 LEU 35 HB2 LEU 35 14.472 1.731 -3.196 73 HB3 LEU 35 HB1 LEU 35 13.671 0.175 -3.309 74 HG LEU 35 HG LEU 35 13.299 1.873 -5.193 75 HD11 LEU 35 HD11 LEU 35 11.968 -0.258 -4.484 76 HD12 LEU 35 HD12 LEU 35 11.337 0.828 -5.725 77 HD13 LEU 35 HD13 LEU 35 10.713 0.913 -4.076 78 HD21 LEU 35 HD21 LEU 35 11.502 3.465 -4.865 79 HD22 LEU 35 HD22 LEU 35 12.821 3.804 -3.745 80 HD23 LEU 35 HD23 LEU 35 11.362 2.997 -3.171 81 H PHE 36 HN PHE 36 12.895 -0.912 -0.792 82 HA PHE 36 HA PHE 36 10.334 -1.741 -1.695 83 HB2 PHE 36 HB2 PHE 36 12.271 -3.257 -1.191 84 HB3 PHE 36 HB1 PHE 36 11.988 -2.963 0.520 85 HD1 PHE 36 HD1 PHE 36 10.388 -4.288 -2.552 86 HD2 PHE 36 HD2 PHE 36 10.440 -4.237 1.703 87 HE1 PHE 36 HE1 PHE 36 8.761 -6.132 -2.514 88 HE2 PHE 36 HE2 PHE 36 8.811 -6.082 1.749 89 HZ PHE 36 HZ PHE 36 7.970 -7.031 -0.363 90 H SER 37 HN SER 37 11.370 0.100 0.987 91 HA SER 37 HA SER 37 9.407 -0.572 2.887 92 HB2 SER 37 HB2 SER 37 9.940 1.608 3.917 93 HB3 SER 37 HB1 SER 37 11.400 0.723 3.474 94 HG SER 37 HG SER 37 11.850 2.582 2.559 95 H PHE 38 HN PHE 38 9.331 1.466 0.064 96 HA PHE 38 HA PHE 38 6.894 2.812 0.758 97 HB2 PHE 38 HB2 PHE 38 8.500 3.876 -0.738 98 HB3 PHE 38 HB1 PHE 38 8.339 2.554 -1.889 99 HD1 PHE 38 HD1 PHE 38 6.694 2.605 -3.544 100 HD2 PHE 38 HD2 PHE 38 6.464 5.309 -0.265 101 HE1 PHE 38 HE1 PHE 38 4.862 3.803 -4.667 102 HE2 PHE 38 HE2 PHE 38 4.630 6.512 -1.383 103 HZ PHE 38 HZ PHE 38 3.831 5.763 -3.588 104 H LEU 39 HN LEU 39 7.771 -0.089 -0.978 105 HA LEU 39 HA LEU 39 5.221 -0.485 -2.200 106 HB2 LEU 39 HB2 LEU 39 7.622 -2.234 -1.763 107 HB3 LEU 39 HB1 LEU 39 6.140 -2.882 -2.445 108 HG LEU 39 HG LEU 39 6.373 -0.998 -4.194 109 HD11 LEU 39 HD11 LEU 39 8.006 0.404 -3.368 110 HD12 LEU 39 HD12 LEU 39 8.917 -0.578 -4.518 111 HD13 LEU 39 HD13 LEU 39 9.000 -0.933 -2.790 112 HD21 LEU 39 HD21 LEU 39 6.686 -3.384 -4.671 113 HD22 LEU 39 HD22 LEU 39 8.364 -3.266 -4.140 114 HD23 LEU 39 HD23 LEU 39 7.828 -2.386 -5.571 115 H ILE 40 HN ILE 40 6.587 -1.208 0.903 116 HA ILE 40 HA ILE 40 4.734 -3.256 1.629 117 HB ILE 40 HB ILE 40 6.446 -1.488 3.382 118 HG12 ILE 40 HG12 ILE 40 6.889 -4.364 2.570 119 HG13 ILE 40 HG11 ILE 40 7.614 -3.002 1.723 120 HG21 ILE 40 HG21 ILE 40 4.978 -4.034 4.058 121 HG22 ILE 40 HG22 ILE 40 4.549 -2.416 4.610 122 HG23 ILE 40 HG23 ILE 40 6.065 -3.150 5.129 123 HD11 ILE 40 HD11 ILE 40 9.170 -4.009 3.293 124 HD12 ILE 40 HD12 ILE 40 8.044 -3.708 4.616 125 HD13 ILE 40 HD13 ILE 40 8.782 -2.354 3.760 126 H VAL 41 HN VAL 41 4.909 0.242 2.189 127 HA VAL 41 HA VAL 41 2.522 0.296 3.778 128 HB VAL 41 HB VAL 41 4.502 1.998 3.748 129 HG11 VAL 41 HG11 VAL 41 4.238 2.523 1.326 130 HG12 VAL 41 HG12 VAL 41 4.207 3.937 2.379 131 HG13 VAL 41 HG13 VAL 41 2.702 3.303 1.712 132 HG21 VAL 41 HG21 VAL 41 2.589 2.156 5.230 133 HG22 VAL 41 HG22 VAL 41 1.626 2.885 3.944 134 HG23 VAL 41 HG23 VAL 41 3.011 3.752 4.608 135 H ALA 42 HN ALA 42 3.271 0.496 0.405 136 HA ALA 42 HA ALA 42 1.043 1.859 -0.571 137 HB1 ALA 42 HB1 ALA 42 3.003 1.286 -1.932 138 HB2 ALA 42 HB2 ALA 42 1.500 0.772 -2.696 139 HB3 ALA 42 HB3 ALA 42 2.527 -0.411 -1.889 140 H GLY 43 HN GLY 43 1.487 -1.590 0.124 141 HA2 GLY 43 HA2 GLY 43 -1.035 -2.438 -0.824 142 HA3 GLY 43 HA1 GLY 43 -0.020 -3.310 0.315 143 H ALA 44 HN ALA 44 0.024 -1.248 2.320 144 HA ALA 44 HA ALA 44 -2.400 -1.913 3.674 145 HB1 ALA 44 HB1 ALA 44 -0.251 0.060 4.443 146 HB2 ALA 44 HB2 ALA 44 -0.282 -1.652 4.868 147 HB3 ALA 44 HB3 ALA 44 -1.517 -0.564 5.501 148 H THR 45 HN THR 45 -1.206 0.915 1.972 149 HA THR 45 HA THR 45 -3.315 2.653 2.825 150 HB THR 45 HB THR 45 -2.492 4.174 1.047 151 HG1 THR 45 HG1 THR 45 -0.820 3.534 -0.270 152 HG21 THR 45 HG21 THR 45 -1.452 4.319 3.211 153 HG22 THR 45 HG22 THR 45 -0.198 4.474 1.979 154 HG23 THR 45 HG23 THR 45 -0.399 2.953 2.846 155 H THR 46 HN THR 46 -2.923 0.310 0.321 156 HA THR 46 HA THR 46 -4.802 1.262 -1.542 157 HB THR 46 HB THR 46 -3.966 -1.583 -0.948 158 HG1 THR 46 HG1 THR 46 -3.107 0.290 -2.923 159 HG21 THR 46 HG21 THR 46 -6.102 -1.537 -2.139 160 HG22 THR 46 HG22 THR 46 -4.808 -2.105 -3.194 161 HG23 THR 46 HG23 THR 46 -5.413 -0.455 -3.349 162 H LEU 47 HN LEU 47 -5.160 -1.040 1.152 163 HA LEU 47 HA LEU 47 -7.912 -1.520 0.751 164 HB2 LEU 47 HB2 LEU 47 -6.081 -1.875 3.109 165 HB3 LEU 47 HB1 LEU 47 -7.790 -2.242 3.216 166 HG LEU 47 HG LEU 47 -6.530 -4.269 2.820 167 HD11 LEU 47 HD11 LEU 47 -7.677 -5.092 0.836 168 HD12 LEU 47 HD12 LEU 47 -8.051 -3.437 0.355 169 HD13 LEU 47 HD13 LEU 47 -8.754 -4.107 1.828 170 HD21 LEU 47 HD21 LEU 47 -4.588 -3.259 1.725 171 HD22 LEU 47 HD22 LEU 47 -5.562 -2.953 0.287 172 HD23 LEU 47 HD23 LEU 47 -5.233 -4.611 0.795 173 H PHE 48 HN PHE 48 -6.154 0.859 2.655 174 HA PHE 48 HA PHE 48 -8.281 1.856 4.175 175 HB2 PHE 48 HB2 PHE 48 -5.902 2.405 4.579 176 HB3 PHE 48 HB1 PHE 48 -5.890 3.377 3.111 177 HD1 PHE 48 HD1 PHE 48 -6.878 5.552 3.053 178 HD2 PHE 48 HD2 PHE 48 -7.141 3.145 6.553 179 HE1 PHE 48 HE1 PHE 48 -7.630 7.511 4.339 180 HE2 PHE 48 HE2 PHE 48 -7.893 5.099 7.845 181 HZ PHE 48 HZ PHE 48 -8.127 7.286 6.745 182 H CYS 49 HN CYS 49 -7.023 2.944 1.029 183 HA CYS 49 HA CYS 49 -9.106 4.892 0.698 184 HB2 CYS 49 HB2 CYS 49 -7.105 3.807 -1.293 185 HB3 CYS 49 HB1 CYS 49 -8.145 5.203 -1.554 186 HG CYS 49 HG CYS 49 -5.226 5.524 -0.761 187 H LEU 50 HN LEU 50 -8.713 1.546 -0.033 188 HA LEU 50 HA LEU 50 -10.397 1.219 -2.223 189 HB2 LEU 50 HB2 LEU 50 -8.936 -0.458 -0.714 190 HB3 LEU 50 HB1 LEU 50 -10.533 -0.836 -0.094 191 HG LEU 50 HG LEU 50 -11.217 -1.216 -2.521 192 HD11 LEU 50 HD11 LEU 50 -8.231 -1.033 -2.806 193 HD12 LEU 50 HD12 LEU 50 -9.466 -0.140 -3.692 194 HD13 LEU 50 HD13 LEU 50 -9.257 -1.869 -3.972 195 HD21 LEU 50 HD21 LEU 50 -10.887 -3.046 -0.957 196 HD22 LEU 50 HD22 LEU 50 -9.149 -3.015 -1.260 197 HD23 LEU 50 HD23 LEU 50 -10.261 -3.480 -2.548 198 H LEU 51 HN LEU 51 -11.185 1.265 1.234 199 HA LEU 51 HA LEU 51 -14.000 0.900 0.744 200 HB2 LEU 51 HB2 LEU 51 -12.462 1.562 3.251 201 HB3 LEU 51 HB1 LEU 51 -14.192 1.285 3.206 202 HG LEU 51 HG LEU 51 -12.146 -0.770 2.366 203 HD11 LEU 51 HD11 LEU 51 -11.870 -0.269 4.727 204 HD12 LEU 51 HD12 LEU 51 -12.611 -1.856 4.513 205 HD13 LEU 51 HD13 LEU 51 -13.603 -0.477 4.989 206 HD21 LEU 51 HD21 LEU 51 -14.019 -2.323 2.544 207 HD22 LEU 51 HD22 LEU 51 -14.363 -1.049 1.373 208 HD23 LEU 51 HD23 LEU 51 -15.092 -0.993 2.977 209 H HIS 52 HN HIS 52 -11.828 3.575 1.137 210 HA HIS 52 HA HIS 52 -13.747 5.522 1.893 211 HB2 HIS 52 HB2 HIS 52 -11.276 5.775 2.176 212 HB3 HIS 52 HB1 HIS 52 -11.140 5.979 0.433 213 HD1 HIS 52 HD1 HIS 52 -11.184 8.330 -0.337 214 HD2 HIS 52 HD2 HIS 52 -13.074 7.869 3.336 215 HE1 HIS 52 HE1 HIS 52 -11.832 10.651 0.383 216 HE2 HIS 52 HE2 HIS 52 -12.964 10.350 2.613 217 H PHE 53 HN PHE 53 -12.677 4.258 -1.198 218 HA PHE 53 HA PHE 53 -14.329 6.227 -2.605 219 HB2 PHE 53 HB2 PHE 53 -12.175 4.331 -3.501 220 HB3 PHE 53 HB1 PHE 53 -13.276 5.068 -4.661 221 HD1 PHE 53 HD1 PHE 53 -10.700 5.775 -2.118 222 HD2 PHE 53 HD2 PHE 53 -13.007 7.312 -5.347 223 HE1 PHE 53 HE1 PHE 53 -9.278 7.783 -2.173 224 HE2 PHE 53 HE2 PHE 53 -11.587 9.321 -5.410 225 HZ PHE 53 HZ PHE 53 -9.731 9.566 -3.831 226 H GLY 54 HN GLY 54 -14.448 3.046 -1.458 227 HA2 GLY 54 HA2 GLY 54 -16.051 1.413 -1.636 228 HA3 GLY 54 HA1 GLY 54 -17.079 2.623 -2.388 229 H VAL 55 HN VAL 55 -13.976 1.798 -3.736 230 HA VAL 55 HA VAL 55 -14.902 1.339 -6.307 231 HB VAL 55 HB VAL 55 -12.424 0.119 -5.083 232 HG11 VAL 55 HG11 VAL 55 -13.103 0.797 -7.943 233 HG12 VAL 55 HG12 VAL 55 -12.986 -0.822 -7.255 234 HG13 VAL 55 HG13 VAL 55 -11.548 0.192 -7.372 235 HG21 VAL 55 HG21 VAL 55 -12.512 2.525 -4.676 236 HG22 VAL 55 HG22 VAL 55 -12.787 2.812 -6.394 237 HG23 VAL 55 HG23 VAL 55 -11.257 2.125 -5.849 238 H ILE 56 HN ILE 56 -14.719 -0.845 -3.595 239 HA ILE 56 HA ILE 56 -15.499 -3.098 -5.315 240 HB ILE 56 HB ILE 56 -14.559 -3.162 -2.446 241 HG12 ILE 56 HG12 ILE 56 -12.774 -2.425 -3.957 242 HG13 ILE 56 HG11 ILE 56 -12.450 -4.045 -3.351 243 HG21 ILE 56 HG21 ILE 56 -15.988 -5.040 -2.983 244 HG22 ILE 56 HG22 ILE 56 -14.316 -5.579 -2.831 245 HG23 ILE 56 HG23 ILE 56 -15.038 -5.383 -4.429 246 HD11 ILE 56 HD11 ILE 56 -13.274 -4.972 -5.475 247 HD12 ILE 56 HD12 ILE 56 -11.891 -3.900 -5.688 248 HD13 ILE 56 HD13 ILE 56 -13.514 -3.331 -6.074 249 H GLY 57 HN GLY 57 -17.631 -3.317 -5.496 250 HA2 GLY 57 HA2 GLY 57 -19.322 -2.698 -3.162 251 HA3 GLY 57 HA1 GLY 57 -19.870 -2.712 -4.832 252 HA PRO 58 HA PRO 58 -21.444 -6.807 -4.386 253 HB2 PRO 58 HB2 PRO 58 -20.092 -7.565 -6.911 254 HB3 PRO 58 HB1 PRO 58 -21.807 -7.617 -6.494 255 HG2 PRO 58 HG2 PRO 58 -20.854 -5.762 -8.160 256 HG3 PRO 58 HG1 PRO 58 -22.134 -5.380 -6.993 257 HD2 PRO 58 HD2 PRO 58 -19.211 -4.745 -6.880 258 HD3 PRO 58 HD1 PRO 58 -20.602 -3.751 -6.396 259 H GLN 59 HN GLN 59 -20.842 -9.036 -4.078 260 HA GLN 59 HA GLN 59 -19.541 -10.531 -2.941 261 HB2 GLN 59 HB2 GLN 59 -17.759 -11.454 -4.267 262 HB3 GLN 59 HB1 GLN 59 -19.071 -10.987 -5.337 263 HG2 GLN 59 HG2 GLN 59 -17.864 -8.988 -5.985 264 HG3 GLN 59 HG1 GLN 59 -16.567 -9.384 -4.858 265 HE21 GLN 59 HE21 GLN 59 -16.725 -12.245 -5.462 266 HE22 GLN 59 HE22 GLN 59 -15.988 -12.444 -7.011 267 H ARG 60 HN ARG 60 -16.674 -10.769 -2.914 268 HA ARG 60 HA ARG 60 -15.881 -8.368 -1.415 269 HB2 ARG 60 HB2 ARG 60 -15.445 -11.218 -0.502 270 HB3 ARG 60 HB1 ARG 60 -14.861 -9.776 0.318 271 HG2 ARG 60 HG2 ARG 60 -17.204 -9.060 0.645 272 HG3 ARG 60 HG1 ARG 60 -17.735 -10.578 -0.081 273 HD2 ARG 60 HD2 ARG 60 -16.544 -11.814 1.681 274 HD3 ARG 60 HD1 ARG 60 -16.071 -10.283 2.418 275 HE ARG 60 HE ARG 60 -18.920 -10.839 2.067 276 HH11 ARG 60 HH11 ARG 60 -16.167 -10.508 4.177 277 HH12 ARG 60 HH12 ARG 60 -17.122 -10.398 5.617 278 HH21 ARG 60 HH21 ARG 60 -20.185 -10.696 3.956 279 HH22 ARG 60 HH22 ARG 60 -19.407 -10.505 5.493 Start of MODEL 7 1 H1 ARG 28 HT1 ARG 28 26.253 -0.781 2.400 2 H2 ARG 28 HT2 ARG 28 25.349 -1.788 3.412 3 H3 ARG 28 HT3 ARG 28 26.668 -0.930 4.033 4 HA ARG 28 HA ARG 28 24.584 0.085 4.685 5 HB2 ARG 28 HB2 ARG 28 26.520 1.526 4.443 6 HB3 ARG 28 HB1 ARG 28 26.246 1.664 2.713 7 HG2 ARG 28 HG2 ARG 28 24.009 2.503 4.439 8 HG3 ARG 28 HG1 ARG 28 25.462 3.502 4.506 9 HD2 ARG 28 HD2 ARG 28 24.017 2.728 1.973 10 HD3 ARG 28 HD1 ARG 28 23.819 4.268 2.810 11 HE ARG 28 HE ARG 28 26.551 3.698 2.176 12 HH11 ARG 28 HH11 ARG 28 23.557 4.943 0.898 13 HH12 ARG 28 HH12 ARG 28 24.330 5.925 -0.301 14 HH21 ARG 28 HH21 ARG 28 27.574 4.988 0.602 15 HH22 ARG 28 HH22 ARG 28 26.612 5.952 -0.469 16 H ARG 29 HN ARG 29 22.519 0.478 4.228 17 HA ARG 29 HA ARG 29 21.505 -0.163 1.616 18 HB2 ARG 29 HB2 ARG 29 20.076 0.883 4.068 19 HB3 ARG 29 HB1 ARG 29 19.297 0.250 2.624 20 HG2 ARG 29 HG2 ARG 29 20.203 -1.941 3.033 21 HG3 ARG 29 HG1 ARG 29 21.138 -1.336 4.402 22 HD2 ARG 29 HD2 ARG 29 18.128 -1.313 4.214 23 HD3 ARG 29 HD1 ARG 29 19.075 -2.523 5.078 24 HE ARG 29 HE ARG 29 19.778 0.033 6.008 25 HH11 ARG 29 HH11 ARG 29 17.112 -2.211 6.078 26 HH12 ARG 29 HH12 ARG 29 16.507 -1.643 7.599 27 HH21 ARG 29 HH21 ARG 29 18.988 0.785 8.013 28 HH22 ARG 29 HH22 ARG 29 17.572 0.058 8.698 29 H CYS 30 HN CYS 30 21.281 1.217 -0.008 30 HA CYS 30 HA CYS 30 21.594 4.061 0.476 31 HB2 CYS 30 HB2 CYS 30 22.734 2.678 -1.395 32 HB3 CYS 30 HB1 CYS 30 21.187 2.799 -2.224 33 HG CYS 30 HG CYS 30 21.279 5.388 -2.804 34 H LEU 31 HN LEU 31 20.096 4.697 -2.026 35 HA LEU 31 HA LEU 31 17.759 5.669 -0.982 36 HB2 LEU 31 HB2 LEU 31 18.142 4.785 -3.828 37 HB3 LEU 31 HB1 LEU 31 17.021 5.999 -3.242 38 HG LEU 31 HG LEU 31 19.938 6.197 -3.745 39 HD11 LEU 31 HD11 LEU 31 17.613 8.084 -3.937 40 HD12 LEU 31 HD12 LEU 31 18.332 7.165 -5.260 41 HD13 LEU 31 HD13 LEU 31 19.260 8.436 -4.462 42 HD21 LEU 31 HD21 LEU 31 18.550 7.640 -1.492 43 HD22 LEU 31 HD22 LEU 31 20.029 8.225 -2.251 44 HD23 LEU 31 HD23 LEU 31 20.024 6.673 -1.413 45 H PHE 32 HN PHE 32 18.396 2.447 -2.171 46 HA PHE 32 HA PHE 32 15.815 1.529 -2.641 47 HB2 PHE 32 HB2 PHE 32 18.235 0.078 -1.561 48 HB3 PHE 32 HB1 PHE 32 16.744 -0.736 -2.027 49 HD1 PHE 32 HD1 PHE 32 15.990 -0.632 -4.407 50 HD2 PHE 32 HD2 PHE 32 19.820 0.743 -3.164 51 HE1 PHE 32 HE1 PHE 32 16.779 -0.739 -6.735 52 HE2 PHE 32 HE2 PHE 32 20.615 0.642 -5.489 53 HZ PHE 32 HZ PHE 32 19.080 -0.099 -7.283 54 H LEU 33 HN LEU 33 17.277 2.474 0.269 55 HA LEU 33 HA LEU 33 16.134 0.964 2.249 56 HB2 LEU 33 HB2 LEU 33 17.732 2.964 2.409 57 HB3 LEU 33 HB1 LEU 33 16.294 3.966 2.395 58 HG LEU 33 HG LEU 33 15.537 2.546 4.417 59 HD11 LEU 33 HD11 LEU 33 17.178 0.787 4.232 60 HD12 LEU 33 HD12 LEU 33 17.419 1.663 5.744 61 HD13 LEU 33 HD13 LEU 33 18.491 1.956 4.374 62 HD21 LEU 33 HD21 LEU 33 16.180 4.907 4.534 63 HD22 LEU 33 HD22 LEU 33 17.874 4.437 4.674 64 HD23 LEU 33 HD23 LEU 33 16.733 4.013 5.950 65 H SER 34 HN SER 34 14.739 3.850 0.704 66 HA SER 34 HA SER 34 12.214 3.490 2.056 67 HB2 SER 34 HB2 SER 34 13.022 5.750 1.587 68 HB3 SER 34 HB1 SER 34 13.020 5.409 -0.143 69 HG SER 34 HG SER 34 10.628 4.908 1.116 70 H LEU 35 HN LEU 35 13.648 2.295 -0.773 71 HA LEU 35 HA LEU 35 11.261 2.008 -2.334 72 HB2 LEU 35 HB2 LEU 35 13.586 2.136 -3.270 73 HB3 LEU 35 HB1 LEU 35 13.881 0.536 -2.620 74 HG LEU 35 HG LEU 35 13.303 0.761 -5.114 75 HD11 LEU 35 HD11 LEU 35 11.552 -1.192 -3.691 76 HD12 LEU 35 HD12 LEU 35 13.306 -1.292 -3.540 77 HD13 LEU 35 HD13 LEU 35 12.550 -1.415 -5.130 78 HD21 LEU 35 HD21 LEU 35 11.350 2.228 -4.818 79 HD22 LEU 35 HD22 LEU 35 10.518 0.930 -3.963 80 HD23 LEU 35 HD23 LEU 35 10.941 0.735 -5.663 81 H PHE 36 HN PHE 36 13.099 -0.037 -0.132 82 HA PHE 36 HA PHE 36 11.641 -2.422 -0.655 83 HB2 PHE 36 HB2 PHE 36 13.914 -2.396 0.332 84 HB3 PHE 36 HB1 PHE 36 13.253 -1.676 1.796 85 HD1 PHE 36 HD1 PHE 36 13.330 -4.716 -0.282 86 HD2 PHE 36 HD2 PHE 36 12.133 -2.994 3.422 87 HE1 PHE 36 HE1 PHE 36 12.872 -6.963 0.609 88 HE2 PHE 36 HE2 PHE 36 11.674 -5.237 4.320 89 HZ PHE 36 HZ PHE 36 12.056 -7.227 2.916 90 H SER 37 HN SER 37 11.210 0.277 1.526 91 HA SER 37 HA SER 37 9.163 -1.042 3.077 92 HB2 SER 37 HB2 SER 37 10.611 0.622 4.143 93 HB3 SER 37 HB1 SER 37 10.036 1.857 3.024 94 HG SER 37 HG SER 37 8.424 0.435 4.881 95 H PHE 38 HN PHE 38 9.254 0.410 0.066 96 HA PHE 38 HA PHE 38 6.620 1.597 0.157 97 HB2 PHE 38 HB2 PHE 38 8.387 2.558 -1.271 98 HB3 PHE 38 HB1 PHE 38 8.435 1.068 -2.207 99 HD1 PHE 38 HD1 PHE 38 7.017 0.764 -4.024 100 HD2 PHE 38 HD2 PHE 38 6.198 3.864 -1.227 101 HE1 PHE 38 HE1 PHE 38 5.258 1.632 -5.508 102 HE2 PHE 38 HE2 PHE 38 4.438 4.739 -2.704 103 HZ PHE 38 HZ PHE 38 3.961 3.627 -4.841 104 H LEU 39 HN LEU 39 8.112 -1.299 -1.247 105 HA LEU 39 HA LEU 39 5.825 -2.250 -2.577 106 HB2 LEU 39 HB2 LEU 39 8.329 -3.535 -1.562 107 HB3 LEU 39 HB1 LEU 39 7.028 -4.539 -2.182 108 HG LEU 39 HG LEU 39 7.187 -3.007 -4.277 109 HD11 LEU 39 HD11 LEU 39 9.670 -2.352 -4.537 110 HD12 LEU 39 HD12 LEU 39 9.691 -2.393 -2.772 111 HD13 LEU 39 HD13 LEU 39 8.598 -1.295 -3.616 112 HD21 LEU 39 HD21 LEU 39 9.356 -4.997 -3.608 113 HD22 LEU 39 HD22 LEU 39 8.896 -4.473 -5.228 114 HD23 LEU 39 HD23 LEU 39 7.755 -5.384 -4.238 115 H ILE 40 HN ILE 40 6.743 -2.286 0.753 116 HA ILE 40 HA ILE 40 4.942 -4.386 1.531 117 HB ILE 40 HB ILE 40 6.325 -2.312 3.239 118 HG12 ILE 40 HG12 ILE 40 7.095 -5.194 2.750 119 HG13 ILE 40 HG11 ILE 40 7.827 -3.830 1.909 120 HG21 ILE 40 HG21 ILE 40 4.994 -4.908 4.002 121 HG22 ILE 40 HG22 ILE 40 4.374 -3.291 4.335 122 HG23 ILE 40 HG23 ILE 40 5.870 -3.837 5.094 123 HD11 ILE 40 HD11 ILE 40 9.209 -4.611 3.757 124 HD12 ILE 40 HD12 ILE 40 7.889 -4.293 4.883 125 HD13 ILE 40 HD13 ILE 40 8.655 -2.958 4.020 126 H VAL 41 HN VAL 41 4.988 -0.846 1.865 127 HA VAL 41 HA VAL 41 2.429 -0.686 3.084 128 HB VAL 41 HB VAL 41 4.221 1.075 3.220 129 HG11 VAL 41 HG11 VAL 41 4.357 2.734 1.442 130 HG12 VAL 41 HG12 VAL 41 3.234 1.789 0.462 131 HG13 VAL 41 HG13 VAL 41 4.825 1.138 0.857 132 HG21 VAL 41 HG21 VAL 41 1.961 1.522 3.975 133 HG22 VAL 41 HG22 VAL 41 1.474 1.955 2.335 134 HG23 VAL 41 HG23 VAL 41 2.636 2.957 3.204 135 H ALA 42 HN ALA 42 3.488 -0.997 -0.175 136 HA ALA 42 HA ALA 42 1.470 0.221 -1.625 137 HB1 ALA 42 HB1 ALA 42 3.494 -0.771 -2.613 138 HB2 ALA 42 HB2 ALA 42 2.022 -1.295 -3.430 139 HB3 ALA 42 HB3 ALA 42 2.838 -2.379 -2.304 140 H GLY 43 HN GLY 43 1.422 -2.808 0.133 141 HA2 GLY 43 HA2 GLY 43 -1.104 -3.641 -1.006 142 HA3 GLY 43 HA1 GLY 43 -0.221 -4.450 0.280 143 H ALA 44 HN ALA 44 -0.028 -1.894 1.809 144 HA ALA 44 HA ALA 44 -2.552 -2.169 3.190 145 HB1 ALA 44 HB1 ALA 44 -0.458 -2.025 4.447 146 HB2 ALA 44 HB2 ALA 44 -1.563 -0.718 4.876 147 HB3 ALA 44 HB3 ALA 44 -0.190 -0.401 3.814 148 H THR 45 HN THR 45 -1.135 0.012 0.917 149 HA THR 45 HA THR 45 -2.678 2.313 1.539 150 HB THR 45 HB THR 45 -2.087 3.058 -0.785 151 HG1 THR 45 HG1 THR 45 -0.941 1.734 -2.084 152 HG21 THR 45 HG21 THR 45 0.217 2.044 0.885 153 HG22 THR 45 HG22 THR 45 -0.649 3.557 1.148 154 HG23 THR 45 HG23 THR 45 0.292 3.325 -0.325 155 H THR 46 HN THR 46 -3.351 -0.598 -0.195 156 HA THR 46 HA THR 46 -5.444 0.322 -1.851 157 HB THR 46 HB THR 46 -5.072 -2.437 -0.667 158 HG1 THR 46 HG1 THR 46 -4.305 -1.480 -3.237 159 HG21 THR 46 HG21 THR 46 -6.431 -3.196 -2.561 160 HG22 THR 46 HG22 THR 46 -6.661 -1.522 -3.068 161 HG23 THR 46 HG23 THR 46 -7.333 -2.080 -1.536 162 H LEU 47 HN LEU 47 -5.532 -1.287 1.325 163 HA LEU 47 HA LEU 47 -8.325 -1.101 1.653 164 HB2 LEU 47 HB2 LEU 47 -6.052 -1.479 3.585 165 HB3 LEU 47 HB1 LEU 47 -7.714 -1.396 4.127 166 HG LEU 47 HG LEU 47 -7.037 -3.703 3.966 167 HD11 LEU 47 HD11 LEU 47 -8.868 -3.016 1.674 168 HD12 LEU 47 HD12 LEU 47 -9.350 -3.146 3.366 169 HD13 LEU 47 HD13 LEU 47 -8.761 -4.568 2.504 170 HD21 LEU 47 HD21 LEU 47 -6.330 -4.720 1.879 171 HD22 LEU 47 HD22 LEU 47 -5.232 -3.415 2.327 172 HD23 LEU 47 HD23 LEU 47 -6.434 -3.161 1.061 173 H PHE 48 HN PHE 48 -5.678 1.055 2.472 174 HA PHE 48 HA PHE 48 -7.098 2.819 4.141 175 HB2 PHE 48 HB2 PHE 48 -4.628 2.766 3.953 176 HB3 PHE 48 HB1 PHE 48 -4.754 3.442 2.333 177 HD1 PHE 48 HD1 PHE 48 -5.275 4.125 5.915 178 HD2 PHE 48 HD2 PHE 48 -5.109 5.760 1.990 179 HE1 PHE 48 HE1 PHE 48 -5.239 6.394 6.866 180 HE2 PHE 48 HE2 PHE 48 -5.070 8.032 2.933 181 HZ PHE 48 HZ PHE 48 -5.135 8.351 5.374 182 H CYS 49 HN CYS 49 -6.501 2.865 0.647 183 HA CYS 49 HA CYS 49 -8.024 5.266 0.242 184 HB2 CYS 49 HB2 CYS 49 -6.154 4.699 -1.238 185 HB3 CYS 49 HB1 CYS 49 -6.990 3.235 -1.748 186 HG CYS 49 HG CYS 49 -9.170 4.764 -2.846 187 H LEU 50 HN LEU 50 -8.692 1.894 0.385 188 HA LEU 50 HA LEU 50 -11.013 1.778 -1.206 189 HB2 LEU 50 HB2 LEU 50 -9.519 -0.052 0.092 190 HB3 LEU 50 HB1 LEU 50 -10.876 0.057 1.198 191 HG LEU 50 HG LEU 50 -12.357 -0.368 -0.848 192 HD11 LEU 50 HD11 LEU 50 -11.115 -1.713 -2.606 193 HD12 LEU 50 HD12 LEU 50 -9.637 -1.006 -1.949 194 HD13 LEU 50 HD13 LEU 50 -10.883 0.035 -2.637 195 HD21 LEU 50 HD21 LEU 50 -12.016 -2.791 -0.694 196 HD22 LEU 50 HD22 LEU 50 -11.984 -2.026 0.895 197 HD23 LEU 50 HD23 LEU 50 -10.476 -2.519 0.123 198 H LEU 51 HN LEU 51 -10.446 2.847 2.065 199 HA LEU 51 HA LEU 51 -13.098 2.767 3.014 200 HB2 LEU 51 HB2 LEU 51 -10.889 4.666 3.812 201 HB3 LEU 51 HB1 LEU 51 -12.338 4.321 4.737 202 HG LEU 51 HG LEU 51 -10.196 2.292 4.097 203 HD11 LEU 51 HD11 LEU 51 -10.734 3.794 6.654 204 HD12 LEU 51 HD12 LEU 51 -9.353 4.032 5.583 205 HD13 LEU 51 HD13 LEU 51 -9.553 2.503 6.438 206 HD21 LEU 51 HD21 LEU 51 -11.335 0.924 5.770 207 HD22 LEU 51 HD22 LEU 51 -12.407 1.311 4.424 208 HD23 LEU 51 HD23 LEU 51 -12.568 2.170 5.956 209 H HIS 52 HN HIS 52 -11.463 4.940 0.881 210 HA HIS 52 HA HIS 52 -13.304 7.122 1.223 211 HB2 HIS 52 HB2 HIS 52 -11.234 6.602 -0.920 212 HB3 HIS 52 HB1 HIS 52 -12.134 8.102 -0.728 213 HD1 HIS 52 HD1 HIS 52 -9.246 6.214 0.609 214 HD2 HIS 52 HD2 HIS 52 -11.392 9.645 1.549 215 HE1 HIS 52 HE1 HIS 52 -7.831 7.456 2.276 216 HE2 HIS 52 HE2 HIS 52 -9.164 9.513 2.856 217 H PHE 53 HN PHE 53 -13.151 4.268 -0.727 218 HA PHE 53 HA PHE 53 -14.937 5.163 -2.769 219 HB2 PHE 53 HB2 PHE 53 -13.857 2.482 -1.951 220 HB3 PHE 53 HB1 PHE 53 -15.144 2.601 -3.148 221 HD1 PHE 53 HD1 PHE 53 -14.694 3.266 -5.370 222 HD2 PHE 53 HD2 PHE 53 -11.659 3.544 -2.399 223 HE1 PHE 53 HE1 PHE 53 -13.019 3.685 -7.125 224 HE2 PHE 53 HE2 PHE 53 -9.980 3.963 -4.147 225 HZ PHE 53 HZ PHE 53 -10.670 4.036 -6.524 226 H GLY 54 HN GLY 54 -15.396 4.403 0.448 227 HA2 GLY 54 HA2 GLY 54 -17.294 4.192 1.721 228 HA3 GLY 54 HA1 GLY 54 -18.208 4.656 0.295 229 H VAL 55 HN VAL 55 -16.133 1.898 0.096 230 HA VAL 55 HA VAL 55 -18.218 0.173 -0.672 231 HB VAL 55 HB VAL 55 -16.490 -1.659 -0.301 232 HG11 VAL 55 HG11 VAL 55 -15.148 -0.956 -2.232 233 HG12 VAL 55 HG12 VAL 55 -15.762 0.687 -2.055 234 HG13 VAL 55 HG13 VAL 55 -16.864 -0.625 -2.473 235 HG21 VAL 55 HG21 VAL 55 -15.207 -0.497 1.442 236 HG22 VAL 55 HG22 VAL 55 -14.715 0.716 0.260 237 HG23 VAL 55 HG23 VAL 55 -14.193 -0.958 0.075 238 H ILE 56 HN ILE 56 -16.944 1.014 2.430 239 HA ILE 56 HA ILE 56 -18.781 -0.912 3.670 240 HB ILE 56 HB ILE 56 -16.016 -0.253 4.678 241 HG12 ILE 56 HG12 ILE 56 -16.623 -3.056 4.239 242 HG13 ILE 56 HG11 ILE 56 -16.821 -2.124 2.760 243 HG21 ILE 56 HG21 ILE 56 -16.492 -1.925 6.422 244 HG22 ILE 56 HG22 ILE 56 -18.148 -2.053 5.827 245 HG23 ILE 56 HG23 ILE 56 -17.572 -0.534 6.515 246 HD11 ILE 56 HD11 ILE 56 -14.546 -1.267 3.006 247 HD12 ILE 56 HD12 ILE 56 -14.584 -3.028 2.922 248 HD13 ILE 56 HD13 ILE 56 -14.352 -2.225 4.475 249 H GLY 57 HN GLY 57 -16.622 1.682 4.733 250 HA2 GLY 57 HA2 GLY 57 -18.031 3.823 5.191 251 HA3 GLY 57 HA1 GLY 57 -18.817 2.765 6.354 252 HA PRO 58 HA PRO 58 -15.289 4.825 8.538 253 HB2 PRO 58 HB2 PRO 58 -16.653 5.558 10.743 254 HB3 PRO 58 HB1 PRO 58 -16.674 6.523 9.262 255 HG2 PRO 58 HG2 PRO 58 -18.707 4.576 10.282 256 HG3 PRO 58 HG1 PRO 58 -18.956 6.177 9.563 257 HD2 PRO 58 HD2 PRO 58 -19.255 3.857 8.170 258 HD3 PRO 58 HD1 PRO 58 -18.750 5.383 7.418 259 H GLN 59 HN GLN 59 -16.922 2.023 8.754 260 HA GLN 59 HA GLN 59 -16.469 1.166 11.410 261 HB2 GLN 59 HB2 GLN 59 -18.043 0.067 9.833 262 HB3 GLN 59 HB1 GLN 59 -16.668 -0.521 8.908 263 HG2 GLN 59 HG2 GLN 59 -17.532 -2.261 10.338 264 HG3 GLN 59 HG1 GLN 59 -15.910 -1.797 10.850 265 HE21 GLN 59 HE21 GLN 59 -16.207 -2.571 12.927 266 HE22 GLN 59 HE22 GLN 59 -17.223 -1.777 14.077 267 H ARG 60 HN ARG 60 -14.393 1.623 12.064 268 HA ARG 60 HA ARG 60 -12.167 1.312 12.385 269 HB2 ARG 60 HB2 ARG 60 -12.925 -1.057 12.582 270 HB3 ARG 60 HB1 ARG 60 -12.588 -1.269 10.869 271 HG2 ARG 60 HG2 ARG 60 -10.213 -0.631 11.352 272 HG3 ARG 60 HG1 ARG 60 -10.620 -0.696 13.068 273 HD2 ARG 60 HD2 ARG 60 -10.819 -2.960 11.085 274 HD3 ARG 60 HD1 ARG 60 -9.616 -2.787 12.362 275 HE ARG 60 HE ARG 60 -11.840 -2.775 13.798 276 HH11 ARG 60 HH11 ARG 60 -10.920 -4.820 11.130 277 HH12 ARG 60 HH12 ARG 60 -11.835 -6.179 11.689 278 HH21 ARG 60 HH21 ARG 60 -13.049 -4.559 14.539 279 HH22 ARG 60 HH22 ARG 60 -13.047 -6.031 13.626 Start of MODEL 8 1 H1 ARG 28 HT1 ARG 28 26.091 -4.253 0.083 2 H2 ARG 28 HT2 ARG 28 25.336 -5.477 0.975 3 H3 ARG 28 HT3 ARG 28 26.868 -4.924 1.428 4 HA ARG 28 HA ARG 28 25.103 -4.071 2.867 5 HB2 ARG 28 HB2 ARG 28 25.784 -1.689 2.723 6 HB3 ARG 28 HB1 ARG 28 27.147 -2.796 2.667 7 HG2 ARG 28 HG2 ARG 28 27.793 -1.501 0.954 8 HG3 ARG 28 HG1 ARG 28 26.672 -2.503 0.032 9 HD2 ARG 28 HD2 ARG 28 24.928 -0.841 0.261 10 HD3 ARG 28 HD1 ARG 28 25.944 0.119 1.338 11 HE ARG 28 HE ARG 28 27.268 -0.250 -1.117 12 HH11 ARG 28 HH11 ARG 28 24.549 1.449 0.248 13 HH12 ARG 28 HH12 ARG 28 24.619 2.746 -0.899 14 HH21 ARG 28 HH21 ARG 28 27.375 1.456 -2.623 15 HH22 ARG 28 HH22 ARG 28 26.226 2.750 -2.531 16 H ARG 29 HN ARG 29 23.152 -3.108 3.110 17 HA ARG 29 HA ARG 29 21.357 -3.080 0.949 18 HB2 ARG 29 HB2 ARG 29 19.895 -1.755 2.597 19 HB3 ARG 29 HB1 ARG 29 20.388 -3.376 3.066 20 HG2 ARG 29 HG2 ARG 29 22.186 -1.209 3.919 21 HG3 ARG 29 HG1 ARG 29 20.587 -1.221 4.664 22 HD2 ARG 29 HD2 ARG 29 22.555 -3.509 4.606 23 HD3 ARG 29 HD1 ARG 29 22.166 -2.502 6.001 24 HE ARG 29 HE ARG 29 19.783 -3.606 5.097 25 HH11 ARG 29 HH11 ARG 29 22.806 -4.705 6.442 26 HH12 ARG 29 HH12 ARG 29 22.112 -6.106 7.184 27 HH21 ARG 29 HH21 ARG 29 18.862 -5.445 6.071 28 HH22 ARG 29 HH22 ARG 29 19.869 -6.530 6.971 29 H CYS 30 HN CYS 30 21.174 -1.660 -0.645 30 HA CYS 30 HA CYS 30 22.393 0.977 -0.331 31 HB2 CYS 30 HB2 CYS 30 22.814 -0.718 -2.296 32 HB3 CYS 30 HB1 CYS 30 21.316 -0.049 -2.932 33 HG CYS 30 HG CYS 30 24.380 1.262 -2.883 34 H LEU 31 HN LEU 31 20.813 1.973 -2.646 35 HA LEU 31 HA LEU 31 18.942 3.498 -1.324 36 HB2 LEU 31 HB2 LEU 31 19.179 2.673 -4.200 37 HB3 LEU 31 HB1 LEU 31 17.879 3.719 -3.662 38 HG LEU 31 HG LEU 31 19.721 5.008 -4.619 39 HD11 LEU 31 HD11 LEU 31 19.406 5.364 -1.643 40 HD12 LEU 31 HD12 LEU 31 18.396 6.070 -2.904 41 HD13 LEU 31 HD13 LEU 31 20.081 6.565 -2.744 42 HD21 LEU 31 HD21 LEU 31 21.389 3.877 -2.372 43 HD22 LEU 31 HD22 LEU 31 21.894 5.109 -3.529 44 HD23 LEU 31 HD23 LEU 31 21.550 3.470 -4.080 45 H PHE 32 HN PHE 32 18.669 0.224 -2.375 46 HA PHE 32 HA PHE 32 15.912 -0.072 -2.635 47 HB2 PHE 32 HB2 PHE 32 17.943 -2.024 -1.528 48 HB3 PHE 32 HB1 PHE 32 16.295 -2.447 -1.981 49 HD1 PHE 32 HD1 PHE 32 15.732 -2.914 -4.207 50 HD2 PHE 32 HD2 PHE 32 19.516 -1.194 -3.297 51 HE1 PHE 32 HE1 PHE 32 16.466 -3.316 -6.521 52 HE2 PHE 32 HE2 PHE 32 20.258 -1.593 -5.609 53 HZ PHE 32 HZ PHE 32 18.732 -2.653 -7.224 54 H LEU 33 HN LEU 33 17.792 0.654 0.087 55 HA LEU 33 HA LEU 33 16.460 -0.432 2.240 56 HB2 LEU 33 HB2 LEU 33 18.550 1.183 2.004 57 HB3 LEU 33 HB1 LEU 33 17.354 2.415 2.358 58 HG LEU 33 HG LEU 33 18.533 1.764 4.376 59 HD11 LEU 33 HD11 LEU 33 16.631 1.198 5.798 60 HD12 LEU 33 HD12 LEU 33 15.691 0.760 4.370 61 HD13 LEU 33 HD13 LEU 33 16.208 2.431 4.609 62 HD21 LEU 33 HD21 LEU 33 18.395 -0.479 5.280 63 HD22 LEU 33 HD22 LEU 33 19.134 -0.506 3.679 64 HD23 LEU 33 HD23 LEU 33 17.455 -1.006 3.883 65 H SER 34 HN SER 34 15.821 2.704 0.679 66 HA SER 34 HA SER 34 13.375 3.030 2.205 67 HB2 SER 34 HB2 SER 34 14.618 4.792 0.083 68 HB3 SER 34 HB1 SER 34 13.229 5.219 1.083 69 HG SER 34 HG SER 34 14.657 4.898 2.918 70 H LEU 35 HN LEU 35 14.288 1.785 -0.853 71 HA LEU 35 HA LEU 35 11.785 2.288 -2.170 72 HB2 LEU 35 HB2 LEU 35 13.997 2.003 -3.332 73 HB3 LEU 35 HB1 LEU 35 13.930 0.302 -2.920 74 HG LEU 35 HG LEU 35 13.229 1.047 -5.288 75 HD11 LEU 35 HD11 LEU 35 12.017 -0.894 -5.508 76 HD12 LEU 35 HD12 LEU 35 11.196 -0.683 -3.963 77 HD13 LEU 35 HD13 LEU 35 12.888 -1.179 -4.000 78 HD21 LEU 35 HD21 LEU 35 11.697 2.834 -4.574 79 HD22 LEU 35 HD22 LEU 35 10.666 1.628 -3.801 80 HD23 LEU 35 HD23 LEU 35 10.883 1.611 -5.551 81 H PHE 36 HN PHE 36 13.135 -0.240 -0.200 82 HA PHE 36 HA PHE 36 11.298 -2.288 -0.917 83 HB2 PHE 36 HB2 PHE 36 13.503 -2.722 0.130 84 HB3 PHE 36 HB1 PHE 36 12.918 -1.994 1.622 85 HD1 PHE 36 HD1 PHE 36 12.534 -4.852 -0.672 86 HD2 PHE 36 HD2 PHE 36 11.546 -3.206 3.126 87 HE1 PHE 36 HE1 PHE 36 11.667 -7.040 0.046 88 HE2 PHE 36 HE2 PHE 36 10.678 -5.390 3.851 89 HZ PHE 36 HZ PHE 36 10.738 -7.310 2.312 90 H SER 37 HN SER 37 11.072 0.472 1.112 91 HA SER 37 HA SER 37 9.035 -0.533 2.855 92 HB2 SER 37 HB2 SER 37 10.483 1.309 3.559 93 HB3 SER 37 HB1 SER 37 9.867 2.313 2.247 94 HG SER 37 HG SER 37 8.330 1.250 4.385 95 H PHE 38 HN PHE 38 9.078 1.214 -0.195 96 HA PHE 38 HA PHE 38 6.362 1.981 -0.218 97 HB2 PHE 38 HB2 PHE 38 8.276 1.493 -2.507 98 HB3 PHE 38 HB1 PHE 38 6.687 2.229 -2.681 99 HD1 PHE 38 HD1 PHE 38 10.092 2.870 -2.294 100 HD2 PHE 38 HD2 PHE 38 6.272 4.297 -1.075 101 HE1 PHE 38 HE1 PHE 38 11.074 5.075 -1.813 102 HE2 PHE 38 HE2 PHE 38 7.247 6.506 -0.593 103 HZ PHE 38 HZ PHE 38 9.651 6.896 -0.964 104 H LEU 39 HN LEU 39 7.968 -1.011 -1.016 105 HA LEU 39 HA LEU 39 5.802 -2.150 -2.482 106 HB2 LEU 39 HB2 LEU 39 8.320 -3.199 -1.267 107 HB3 LEU 39 HB1 LEU 39 7.087 -4.335 -1.786 108 HG LEU 39 HG LEU 39 7.213 -3.116 -4.054 109 HD11 LEU 39 HD11 LEU 39 8.424 -1.198 -3.653 110 HD12 LEU 39 HD12 LEU 39 9.656 -2.270 -4.323 111 HD13 LEU 39 HD13 LEU 39 9.555 -2.018 -2.578 112 HD21 LEU 39 HD21 LEU 39 8.026 -5.396 -3.644 113 HD22 LEU 39 HD22 LEU 39 9.566 -4.740 -3.088 114 HD23 LEU 39 HD23 LEU 39 9.070 -4.521 -4.765 115 H ILE 40 HN ILE 40 6.540 -1.821 0.880 116 HA ILE 40 HA ILE 40 4.684 -3.894 1.699 117 HB ILE 40 HB ILE 40 6.173 -1.858 3.363 118 HG12 ILE 40 HG12 ILE 40 6.741 -4.804 2.993 119 HG13 ILE 40 HG11 ILE 40 7.573 -3.533 2.104 120 HG21 ILE 40 HG21 ILE 40 5.574 -3.230 5.271 121 HG22 ILE 40 HG22 ILE 40 4.696 -4.342 4.223 122 HG23 ILE 40 HG23 ILE 40 4.118 -2.690 4.434 123 HD11 ILE 40 HD11 ILE 40 8.900 -4.304 3.979 124 HD12 ILE 40 HD12 ILE 40 7.590 -3.905 5.091 125 HD13 ILE 40 HD13 ILE 40 8.419 -2.623 4.207 126 H VAL 41 HN VAL 41 4.889 -0.347 1.924 127 HA VAL 41 HA VAL 41 2.386 0.020 3.165 128 HB VAL 41 HB VAL 41 4.219 1.735 3.034 129 HG11 VAL 41 HG11 VAL 41 3.119 2.237 0.272 130 HG12 VAL 41 HG12 VAL 41 4.675 1.482 0.621 131 HG13 VAL 41 HG13 VAL 41 4.383 3.156 1.091 132 HG21 VAL 41 HG21 VAL 41 1.467 2.605 2.158 133 HG22 VAL 41 HG22 VAL 41 2.689 3.649 2.883 134 HG23 VAL 41 HG23 VAL 41 1.994 2.324 3.817 135 H ALA 42 HN ALA 42 3.270 -0.669 -0.086 136 HA ALA 42 HA ALA 42 1.221 0.454 -1.567 137 HB1 ALA 42 HB1 ALA 42 2.482 -2.247 -2.018 138 HB2 ALA 42 HB2 ALA 42 3.164 -0.704 -2.530 139 HB3 ALA 42 HB3 ALA 42 1.642 -1.267 -3.219 140 H GLY 43 HN GLY 43 1.143 -2.310 0.565 141 HA2 GLY 43 HA2 GLY 43 -1.430 -3.231 -0.385 142 HA3 GLY 43 HA1 GLY 43 -0.532 -3.868 0.984 143 H ALA 44 HN ALA 44 -0.214 -1.239 2.227 144 HA ALA 44 HA ALA 44 -2.709 -1.200 3.657 145 HB1 ALA 44 HB1 ALA 44 -0.586 -0.946 4.835 146 HB2 ALA 44 HB2 ALA 44 -1.625 0.457 5.087 147 HB3 ALA 44 HB3 ALA 44 -0.272 0.552 3.960 148 H THR 45 HN THR 45 -1.272 0.608 1.090 149 HA THR 45 HA THR 45 -2.854 2.970 1.400 150 HB THR 45 HB THR 45 -2.102 3.500 -0.925 151 HG1 THR 45 HG1 THR 45 -1.251 1.973 -2.112 152 HG21 THR 45 HG21 THR 45 0.038 2.645 1.027 153 HG22 THR 45 HG22 THR 45 -0.751 4.221 0.951 154 HG23 THR 45 HG23 THR 45 0.302 3.697 -0.363 155 H THR 46 HN THR 46 -3.329 -0.132 -0.022 156 HA THR 46 HA THR 46 -5.484 0.660 -1.765 157 HB THR 46 HB THR 46 -4.739 -2.125 -0.853 158 HG1 THR 46 HG1 THR 46 -3.868 -0.618 -3.113 159 HG21 THR 46 HG21 THR 46 -6.308 -1.135 -3.236 160 HG22 THR 46 HG22 THR 46 -6.961 -1.988 -1.837 161 HG23 THR 46 HG23 THR 46 -5.855 -2.813 -2.937 162 H LEU 47 HN LEU 47 -5.305 -1.416 1.129 163 HA LEU 47 HA LEU 47 -8.027 -1.744 1.533 164 HB2 LEU 47 HB2 LEU 47 -6.383 -3.068 2.705 165 HB3 LEU 47 HB1 LEU 47 -5.776 -1.650 3.538 166 HG LEU 47 HG LEU 47 -8.640 -2.281 3.954 167 HD11 LEU 47 HD11 LEU 47 -6.431 -3.949 5.150 168 HD12 LEU 47 HD12 LEU 47 -7.669 -4.510 4.025 169 HD13 LEU 47 HD13 LEU 47 -8.124 -3.977 5.644 170 HD21 LEU 47 HD21 LEU 47 -7.554 -0.385 5.053 171 HD22 LEU 47 HD22 LEU 47 -6.383 -1.479 5.789 172 HD23 LEU 47 HD23 LEU 47 -8.087 -1.586 6.229 173 H PHE 48 HN PHE 48 -6.016 1.004 2.236 174 HA PHE 48 HA PHE 48 -7.917 2.234 4.024 175 HB2 PHE 48 HB2 PHE 48 -5.530 2.648 4.322 176 HB3 PHE 48 HB1 PHE 48 -5.430 3.345 2.709 177 HD1 PHE 48 HD1 PHE 48 -5.974 5.604 2.321 178 HD2 PHE 48 HD2 PHE 48 -6.855 3.820 6.083 179 HE1 PHE 48 HE1 PHE 48 -6.485 7.824 3.247 180 HE2 PHE 48 HE2 PHE 48 -7.369 6.039 7.018 181 HZ PHE 48 HZ PHE 48 -7.181 8.044 5.599 182 H CYS 49 HN CYS 49 -6.561 3.300 0.900 183 HA CYS 49 HA CYS 49 -8.388 5.324 0.403 184 HB2 CYS 49 HB2 CYS 49 -6.901 3.591 -1.575 185 HB3 CYS 49 HB1 CYS 49 -7.730 5.089 -1.984 186 HG CYS 49 HG CYS 49 -5.463 6.313 -1.817 187 H LEU 50 HN LEU 50 -8.528 1.935 -0.665 188 HA LEU 50 HA LEU 50 -10.770 1.998 -2.243 189 HB2 LEU 50 HB2 LEU 50 -9.180 0.039 -1.441 190 HB3 LEU 50 HB1 LEU 50 -10.500 -0.266 -0.327 191 HG LEU 50 HG LEU 50 -12.010 -0.311 -2.392 192 HD11 LEU 50 HD11 LEU 50 -10.710 -1.034 -4.453 193 HD12 LEU 50 HD12 LEU 50 -9.288 -0.357 -3.656 194 HD13 LEU 50 HD13 LEU 50 -10.662 0.680 -4.041 195 HD21 LEU 50 HD21 LEU 50 -9.899 -2.440 -2.055 196 HD22 LEU 50 HD22 LEU 50 -11.451 -2.643 -2.866 197 HD23 LEU 50 HD23 LEU 50 -11.398 -2.312 -1.136 198 H LEU 51 HN LEU 51 -10.739 1.386 1.275 199 HA LEU 51 HA LEU 51 -13.558 1.368 1.529 200 HB2 LEU 51 HB2 LEU 51 -11.440 1.897 3.615 201 HB3 LEU 51 HB1 LEU 51 -13.129 1.570 3.952 202 HG LEU 51 HG LEU 51 -11.240 -0.364 2.607 203 HD11 LEU 51 HD11 LEU 51 -10.618 0.014 4.930 204 HD12 LEU 51 HD12 LEU 51 -11.316 -1.591 4.718 205 HD13 LEU 51 HD13 LEU 51 -12.277 -0.299 5.436 206 HD21 LEU 51 HD21 LEU 51 -13.565 -0.677 1.945 207 HD22 LEU 51 HD22 LEU 51 -14.053 -0.717 3.639 208 HD23 LEU 51 HD23 LEU 51 -13.025 -1.992 2.987 209 H HIS 52 HN HIS 52 -11.223 3.918 1.407 210 HA HIS 52 HA HIS 52 -12.754 5.911 2.727 211 HB2 HIS 52 HB2 HIS 52 -10.295 6.048 2.358 212 HB3 HIS 52 HB1 HIS 52 -10.600 6.300 0.643 213 HD1 HIS 52 HD1 HIS 52 -10.912 7.999 3.973 214 HD2 HIS 52 HD2 HIS 52 -11.399 8.870 -0.060 215 HE1 HIS 52 HE1 HIS 52 -11.163 10.498 3.850 216 HE2 HIS 52 HE2 HIS 52 -11.363 11.010 1.391 217 H PHE 53 HN PHE 53 -12.472 4.895 -0.643 218 HA PHE 53 HA PHE 53 -14.074 7.016 -1.682 219 HB2 PHE 53 HB2 PHE 53 -13.184 4.373 -2.830 220 HB3 PHE 53 HB1 PHE 53 -14.201 5.497 -3.725 221 HD1 PHE 53 HD1 PHE 53 -13.305 7.879 -4.044 222 HD2 PHE 53 HD2 PHE 53 -10.879 4.583 -2.884 223 HE1 PHE 53 HE1 PHE 53 -11.303 9.090 -4.808 224 HE2 PHE 53 HE2 PHE 53 -8.873 5.787 -3.644 225 HZ PHE 53 HZ PHE 53 -9.082 8.044 -4.606 226 H GLY 54 HN GLY 54 -14.819 4.265 0.094 227 HA2 GLY 54 HA2 GLY 54 -16.830 3.360 0.741 228 HA3 GLY 54 HA1 GLY 54 -17.609 4.731 -0.034 229 H VAL 55 HN VAL 55 -15.490 2.676 -1.856 230 HA VAL 55 HA VAL 55 -17.315 2.156 -3.884 231 HB VAL 55 HB VAL 55 -15.782 0.321 -4.578 232 HG11 VAL 55 HG11 VAL 55 -13.837 1.766 -4.987 233 HG12 VAL 55 HG12 VAL 55 -14.462 2.922 -3.811 234 HG13 VAL 55 HG13 VAL 55 -15.358 2.600 -5.295 235 HG21 VAL 55 HG21 VAL 55 -13.705 -0.017 -3.309 236 HG22 VAL 55 HG22 VAL 55 -15.130 -0.484 -2.381 237 HG23 VAL 55 HG23 VAL 55 -14.319 1.044 -2.042 238 H ILE 56 HN ILE 56 -16.870 0.555 -0.837 239 HA ILE 56 HA ILE 56 -18.452 -1.748 -1.665 240 HB ILE 56 HB ILE 56 -17.339 -1.162 1.078 241 HG12 ILE 56 HG12 ILE 56 -15.504 -1.238 -0.527 242 HG13 ILE 56 HG11 ILE 56 -15.495 -2.694 0.460 243 HG21 ILE 56 HG21 ILE 56 -19.124 -2.800 1.075 244 HG22 ILE 56 HG22 ILE 56 -17.581 -3.591 1.393 245 HG23 ILE 56 HG23 ILE 56 -18.319 -3.709 -0.205 246 HD11 ILE 56 HD11 ILE 56 -15.022 -3.267 -1.818 247 HD12 ILE 56 HD12 ILE 56 -16.477 -2.439 -2.372 248 HD13 ILE 56 HD13 ILE 56 -16.612 -3.897 -1.388 249 H GLY 57 HN GLY 57 -20.576 -1.648 -1.616 250 HA2 GLY 57 HA2 GLY 57 -22.148 -1.115 0.591 251 HA3 GLY 57 HA1 GLY 57 -22.021 0.411 -0.272 252 HA PRO 58 HA PRO 58 -25.145 -0.994 -3.073 253 HB2 PRO 58 HB2 PRO 58 -24.479 0.099 -5.422 254 HB3 PRO 58 HB1 PRO 58 -24.911 1.106 -4.035 255 HG2 PRO 58 HG2 PRO 58 -22.202 0.424 -5.110 256 HG3 PRO 58 HG1 PRO 58 -22.816 1.984 -4.536 257 HD2 PRO 58 HD2 PRO 58 -21.263 0.290 -3.030 258 HD3 PRO 58 HD1 PRO 58 -22.392 1.476 -2.345 259 H GLN 59 HN GLN 59 -22.319 -2.472 -3.005 260 HA GLN 59 HA GLN 59 -21.862 -3.691 -5.451 261 HB2 GLN 59 HB2 GLN 59 -20.365 -3.823 -3.494 262 HB3 GLN 59 HB1 GLN 59 -21.517 -4.881 -2.694 263 HG2 GLN 59 HG2 GLN 59 -19.713 -6.167 -3.610 264 HG3 GLN 59 HG1 GLN 59 -21.204 -6.541 -4.471 265 HE21 GLN 59 HE21 GLN 59 -18.074 -5.058 -4.658 266 HE22 GLN 59 HE22 GLN 59 -18.039 -4.864 -6.374 267 H ARG 60 HN ARG 60 -22.780 -5.320 -6.568 268 HA ARG 60 HA ARG 60 -24.751 -7.035 -5.272 269 HB2 ARG 60 HB2 ARG 60 -26.326 -6.667 -7.220 270 HB3 ARG 60 HB1 ARG 60 -26.193 -5.338 -6.077 271 HG2 ARG 60 HG2 ARG 60 -24.644 -4.200 -7.618 272 HG3 ARG 60 HG1 ARG 60 -24.866 -5.515 -8.775 273 HD2 ARG 60 HD2 ARG 60 -27.298 -5.020 -8.789 274 HD3 ARG 60 HD1 ARG 60 -26.986 -3.636 -7.742 275 HE ARG 60 HE ARG 60 -25.350 -3.384 -9.980 276 HH11 ARG 60 HH11 ARG 60 -28.750 -3.380 -9.212 277 HH12 ARG 60 HH12 ARG 60 -29.177 -2.338 -10.529 278 HH21 ARG 60 HH21 ARG 60 -25.904 -2.017 -11.717 279 HH22 ARG 60 HH22 ARG 60 -27.560 -1.566 -11.954 Start of MODEL 9 1 H1 ARG 28 HT1 ARG 28 26.297 -0.039 2.346 2 H2 ARG 28 HT2 ARG 28 27.127 0.942 3.445 3 H3 ARG 28 HT3 ARG 28 26.576 1.591 1.984 4 HA ARG 28 HA ARG 28 24.861 0.554 4.162 5 HB2 ARG 28 HB2 ARG 28 24.202 2.957 4.406 6 HB3 ARG 28 HB1 ARG 28 25.860 2.616 4.870 7 HG2 ARG 28 HG2 ARG 28 26.129 4.545 3.674 8 HG3 ARG 28 HG1 ARG 28 26.391 3.339 2.416 9 HD2 ARG 28 HD2 ARG 28 24.083 3.600 1.668 10 HD3 ARG 28 HD1 ARG 28 23.783 4.772 2.950 11 HE ARG 28 HE ARG 28 25.934 5.415 1.113 12 HH11 ARG 28 HH11 ARG 28 22.574 5.814 1.950 13 HH12 ARG 28 HH12 ARG 28 22.390 7.277 1.041 14 HH21 ARG 28 HH21 ARG 28 25.699 7.341 -0.083 15 HH22 ARG 28 HH22 ARG 28 24.165 8.146 -0.111 16 H ARG 29 HN ARG 29 22.632 0.722 3.805 17 HA ARG 29 HA ARG 29 21.829 0.442 1.074 18 HB2 ARG 29 HB2 ARG 29 20.212 0.639 3.623 19 HB3 ARG 29 HB1 ARG 29 19.527 0.288 2.043 20 HG2 ARG 29 HG2 ARG 29 21.621 -1.400 3.392 21 HG3 ARG 29 HG1 ARG 29 19.886 -1.713 3.465 22 HD2 ARG 29 HD2 ARG 29 21.605 -1.661 0.987 23 HD3 ARG 29 HD1 ARG 29 20.903 -3.088 1.751 24 HE ARG 29 HE ARG 29 19.008 -1.064 0.916 25 HH11 ARG 29 HH11 ARG 29 20.694 -4.002 0.093 26 HH12 ARG 29 HH12 ARG 29 19.548 -4.471 -1.117 27 HH21 ARG 29 HH21 ARG 29 17.494 -1.675 -0.675 28 HH22 ARG 29 HH22 ARG 29 17.730 -3.148 -1.556 29 H CYS 30 HN CYS 30 21.404 2.054 -0.276 30 HA CYS 30 HA CYS 30 21.251 4.752 0.702 31 HB2 CYS 30 HB2 CYS 30 22.389 3.835 -1.470 32 HB3 CYS 30 HB1 CYS 30 20.780 3.999 -2.162 33 HG CYS 30 HG CYS 30 21.237 6.811 -0.726 34 H LEU 31 HN LEU 31 19.529 5.651 -1.516 35 HA LEU 31 HA LEU 31 17.147 5.984 -0.161 36 HB2 LEU 31 HB2 LEU 31 17.881 6.198 -3.060 37 HB3 LEU 31 HB1 LEU 31 16.231 6.471 -2.534 38 HG LEU 31 HG LEU 31 17.551 8.558 -2.804 39 HD11 LEU 31 HD11 LEU 31 16.638 7.966 0.007 40 HD12 LEU 31 HD12 LEU 31 15.618 8.503 -1.329 41 HD13 LEU 31 HD13 LEU 31 16.867 9.571 -0.689 42 HD21 LEU 31 HD21 LEU 31 19.129 7.475 -0.467 43 HD22 LEU 31 HD22 LEU 31 19.234 9.119 -1.100 44 HD23 LEU 31 HD23 LEU 31 19.733 7.755 -2.101 45 H PHE 32 HN PHE 32 18.216 3.266 -1.999 46 HA PHE 32 HA PHE 32 15.786 2.115 -2.758 47 HB2 PHE 32 HB2 PHE 32 18.301 0.703 -1.833 48 HB3 PHE 32 HB1 PHE 32 16.990 -0.032 -2.748 49 HD1 PHE 32 HD1 PHE 32 16.632 0.564 -5.099 50 HD2 PHE 32 HD2 PHE 32 19.929 2.091 -2.883 51 HE1 PHE 32 HE1 PHE 32 17.740 1.211 -7.199 52 HE2 PHE 32 HE2 PHE 32 21.041 2.742 -4.978 53 HZ PHE 32 HZ PHE 32 19.947 2.302 -7.139 54 H LEU 33 HN LEU 33 17.146 2.647 0.295 55 HA LEU 33 HA LEU 33 16.228 0.637 1.925 56 HB2 LEU 33 HB2 LEU 33 17.607 2.763 2.448 57 HB3 LEU 33 HB1 LEU 33 16.053 3.533 2.711 58 HG LEU 33 HG LEU 33 15.612 1.620 4.385 59 HD11 LEU 33 HD11 LEU 33 17.443 0.179 3.751 60 HD12 LEU 33 HD12 LEU 33 17.668 0.726 5.413 61 HD13 LEU 33 HD13 LEU 33 18.608 1.455 4.109 62 HD21 LEU 33 HD21 LEU 33 16.758 2.857 6.163 63 HD22 LEU 33 HD22 LEU 33 15.945 3.941 5.034 64 HD23 LEU 33 HD23 LEU 33 17.694 3.729 4.949 65 H SER 34 HN SER 34 14.516 3.668 1.150 66 HA SER 34 HA SER 34 12.080 2.801 2.371 67 HB2 SER 34 HB2 SER 34 12.647 5.121 0.510 68 HB3 SER 34 HB1 SER 34 11.126 4.867 1.366 69 HG SER 34 HG SER 34 13.515 5.843 2.282 70 H LEU 35 HN LEU 35 13.451 2.637 -0.820 71 HA LEU 35 HA LEU 35 11.130 2.230 -2.332 72 HB2 LEU 35 HB2 LEU 35 13.403 2.662 -3.251 73 HB3 LEU 35 HB1 LEU 35 13.869 1.037 -2.788 74 HG LEU 35 HG LEU 35 13.237 1.523 -5.248 75 HD11 LEU 35 HD11 LEU 35 13.573 -0.692 -3.961 76 HD12 LEU 35 HD12 LEU 35 12.793 -0.718 -5.544 77 HD13 LEU 35 HD13 LEU 35 11.818 -0.829 -4.079 78 HD21 LEU 35 HD21 LEU 35 10.900 1.243 -5.796 79 HD22 LEU 35 HD22 LEU 35 11.097 2.641 -4.741 80 HD23 LEU 35 HD23 LEU 35 10.480 1.124 -4.088 81 H PHE 36 HN PHE 36 12.957 0.103 -0.264 82 HA PHE 36 HA PHE 36 11.776 -2.330 -1.177 83 HB2 PHE 36 HB2 PHE 36 13.938 -2.370 -0.078 84 HB3 PHE 36 HB1 PHE 36 13.251 -1.655 1.376 85 HD1 PHE 36 HD1 PHE 36 13.089 -4.670 -0.785 86 HD2 PHE 36 HD2 PHE 36 12.410 -3.003 3.070 87 HE1 PHE 36 HE1 PHE 36 12.642 -6.921 0.105 88 HE2 PHE 36 HE2 PHE 36 11.962 -5.248 3.968 89 HZ PHE 36 HZ PHE 36 12.078 -7.211 2.485 90 H SER 37 HN SER 37 11.031 0.005 1.343 91 HA SER 37 HA SER 37 8.889 -1.648 2.403 92 HB2 SER 37 HB2 SER 37 10.241 -0.349 3.976 93 HB3 SER 37 HB1 SER 37 9.789 1.144 3.154 94 HG SER 37 HG SER 37 7.598 -0.280 3.838 95 H PHE 38 HN PHE 38 9.245 0.380 -0.181 96 HA PHE 38 HA PHE 38 6.734 1.764 -0.051 97 HB2 PHE 38 HB2 PHE 38 8.733 2.597 -1.318 98 HB3 PHE 38 HB1 PHE 38 8.486 1.291 -2.472 99 HD1 PHE 38 HD1 PHE 38 6.859 1.450 -4.172 100 HD2 PHE 38 HD2 PHE 38 7.004 4.372 -1.082 101 HE1 PHE 38 HE1 PHE 38 5.288 2.860 -5.437 102 HE2 PHE 38 HE2 PHE 38 5.432 5.787 -2.340 103 HZ PHE 38 HZ PHE 38 4.583 5.041 -4.523 104 H LEU 39 HN LEU 39 7.917 -1.228 -1.432 105 HA LEU 39 HA LEU 39 5.548 -1.746 -2.967 106 HB2 LEU 39 HB2 LEU 39 7.999 -3.313 -2.259 107 HB3 LEU 39 HB1 LEU 39 6.619 -4.135 -2.962 108 HG LEU 39 HG LEU 39 8.136 -3.661 -4.722 109 HD11 LEU 39 HD11 LEU 39 5.785 -3.264 -5.269 110 HD12 LEU 39 HD12 LEU 39 6.855 -2.206 -6.188 111 HD13 LEU 39 HD13 LEU 39 5.964 -1.572 -4.805 112 HD21 LEU 39 HD21 LEU 39 9.282 -1.687 -5.039 113 HD22 LEU 39 HD22 LEU 39 9.211 -1.811 -3.278 114 HD23 LEU 39 HD23 LEU 39 8.103 -0.737 -4.133 115 H ILE 40 HN ILE 40 6.696 -2.484 0.245 116 HA ILE 40 HA ILE 40 4.701 -4.474 0.791 117 HB ILE 40 HB ILE 40 6.428 -2.919 2.724 118 HG12 ILE 40 HG12 ILE 40 6.822 -5.705 1.614 119 HG13 ILE 40 HG11 ILE 40 7.673 -4.279 1.026 120 HG21 ILE 40 HG21 ILE 40 4.872 -5.475 3.104 121 HG22 ILE 40 HG22 ILE 40 4.447 -3.898 3.773 122 HG23 ILE 40 HG23 ILE 40 5.920 -4.712 4.299 123 HD11 ILE 40 HD11 ILE 40 9.053 -5.563 2.551 124 HD12 ILE 40 HD12 ILE 40 7.828 -5.411 3.811 125 HD13 ILE 40 HD13 ILE 40 8.678 -3.978 3.231 126 H VAL 41 HN VAL 41 5.181 -1.078 1.732 127 HA VAL 41 HA VAL 41 2.828 -0.846 3.260 128 HB VAL 41 HB VAL 41 4.817 0.757 3.209 129 HG11 VAL 41 HG11 VAL 41 4.744 2.606 1.670 130 HG12 VAL 41 HG12 VAL 41 3.275 1.976 0.923 131 HG13 VAL 41 HG13 VAL 41 4.797 1.099 0.756 132 HG21 VAL 41 HG21 VAL 41 3.422 2.682 3.818 133 HG22 VAL 41 HG22 VAL 41 2.815 1.182 4.519 134 HG23 VAL 41 HG23 VAL 41 2.020 1.881 3.109 135 H ALA 42 HN ALA 42 3.375 -0.876 -0.137 136 HA ALA 42 HA ALA 42 1.216 0.618 -1.083 137 HB1 ALA 42 HB1 ALA 42 2.444 -1.848 -2.314 138 HB2 ALA 42 HB2 ALA 42 3.023 -0.194 -2.516 139 HB3 ALA 42 HB3 ALA 42 1.443 -0.659 -3.149 140 H GLY 43 HN GLY 43 1.354 -2.622 0.222 141 HA2 GLY 43 HA2 GLY 43 -1.291 -3.349 -0.660 142 HA3 GLY 43 HA1 GLY 43 -0.272 -4.256 0.449 143 H ALA 44 HN ALA 44 0.066 -1.755 2.102 144 HA ALA 44 HA ALA 44 -2.250 -2.199 3.776 145 HB1 ALA 44 HB1 ALA 44 -1.090 -0.789 5.397 146 HB2 ALA 44 HB2 ALA 44 0.135 -0.400 4.188 147 HB3 ALA 44 HB3 ALA 44 -0.029 -2.055 4.778 148 H THR 45 HN THR 45 -0.856 0.451 1.900 149 HA THR 45 HA THR 45 -2.629 2.474 2.700 150 HB THR 45 HB THR 45 -1.968 3.656 0.649 151 HG1 THR 45 HG1 THR 45 -1.648 1.232 -0.315 152 HG21 THR 45 HG21 THR 45 -0.448 3.704 2.563 153 HG22 THR 45 HG22 THR 45 0.455 3.713 1.048 154 HG23 THR 45 HG23 THR 45 0.333 2.229 1.993 155 H THR 46 HN THR 46 -3.028 -0.208 0.573 156 HA THR 46 HA THR 46 -5.159 0.799 -1.007 157 HB THR 46 HB THR 46 -4.509 -2.075 -0.321 158 HG1 THR 46 HG1 THR 46 -3.473 -0.238 -2.164 159 HG21 THR 46 HG21 THR 46 -6.155 -0.898 -2.566 160 HG22 THR 46 HG22 THR 46 -6.770 -1.832 -1.202 161 HG23 THR 46 HG23 THR 46 -5.724 -2.600 -2.397 162 H LEU 47 HN LEU 47 -5.044 -1.078 1.993 163 HA LEU 47 HA LEU 47 -7.781 -1.584 2.257 164 HB2 LEU 47 HB2 LEU 47 -6.019 -2.677 3.585 165 HB3 LEU 47 HB1 LEU 47 -5.729 -1.171 4.432 166 HG LEU 47 HG LEU 47 -8.494 -2.250 4.527 167 HD11 LEU 47 HD11 LEU 47 -6.190 -3.461 6.047 168 HD12 LEU 47 HD12 LEU 47 -7.204 -4.270 4.852 169 HD13 LEU 47 HD13 LEU 47 -7.896 -3.747 6.387 170 HD21 LEU 47 HD21 LEU 47 -7.913 -0.155 5.637 171 HD22 LEU 47 HD22 LEU 47 -6.664 -0.984 6.565 172 HD23 LEU 47 HD23 LEU 47 -8.362 -1.391 6.814 173 H PHE 48 HN PHE 48 -5.893 1.267 3.013 174 HA PHE 48 HA PHE 48 -8.018 2.532 4.495 175 HB2 PHE 48 HB2 PHE 48 -5.324 3.468 3.521 176 HB3 PHE 48 HB1 PHE 48 -6.462 4.554 4.309 177 HD1 PHE 48 HD1 PHE 48 -4.003 1.969 4.759 178 HD2 PHE 48 HD2 PHE 48 -7.166 4.089 6.662 179 HE1 PHE 48 HE1 PHE 48 -3.174 1.229 6.954 180 HE2 PHE 48 HE2 PHE 48 -6.341 3.353 8.861 181 HZ PHE 48 HZ PHE 48 -4.344 1.930 9.012 182 H CYS 49 HN CYS 49 -6.418 3.185 1.378 183 HA CYS 49 HA CYS 49 -8.130 5.252 0.570 184 HB2 CYS 49 HB2 CYS 49 -6.524 3.323 -1.115 185 HB3 CYS 49 HB1 CYS 49 -7.263 4.806 -1.710 186 HG CYS 49 HG CYS 49 -5.698 6.485 -0.099 187 H LEU 50 HN LEU 50 -8.567 1.831 0.587 188 HA LEU 50 HA LEU 50 -10.377 1.433 -1.473 189 HB2 LEU 50 HB2 LEU 50 -9.302 -0.175 0.346 190 HB3 LEU 50 HB1 LEU 50 -10.860 0.052 1.117 191 HG LEU 50 HG LEU 50 -11.877 -0.674 -1.118 192 HD11 LEU 50 HD11 LEU 50 -8.993 -1.409 -1.523 193 HD12 LEU 50 HD12 LEU 50 -10.045 -0.477 -2.588 194 HD13 LEU 50 HD13 LEU 50 -10.309 -2.209 -2.385 195 HD21 LEU 50 HD21 LEU 50 -10.260 -2.641 0.500 196 HD22 LEU 50 HD22 LEU 50 -11.602 -3.045 -0.571 197 HD23 LEU 50 HD23 LEU 50 -11.888 -2.076 0.875 198 H LEU 51 HN LEU 51 -10.961 2.608 1.809 199 HA LEU 51 HA LEU 51 -13.774 2.604 1.693 200 HB2 LEU 51 HB2 LEU 51 -11.776 4.111 3.351 201 HB3 LEU 51 HB1 LEU 51 -13.492 4.436 3.498 202 HG LEU 51 HG LEU 51 -13.851 2.038 4.077 203 HD11 LEU 51 HD11 LEU 51 -11.914 0.693 4.725 204 HD12 LEU 51 HD12 LEU 51 -10.838 1.961 4.138 205 HD13 LEU 51 HD13 LEU 51 -11.881 1.097 3.009 206 HD21 LEU 51 HD21 LEU 51 -13.690 3.721 5.819 207 HD22 LEU 51 HD22 LEU 51 -11.933 3.567 5.830 208 HD23 LEU 51 HD23 LEU 51 -12.940 2.215 6.346 209 H HIS 52 HN HIS 52 -11.382 4.887 0.564 210 HA HIS 52 HA HIS 52 -13.154 7.078 0.195 211 HB2 HIS 52 HB2 HIS 52 -10.466 6.456 -1.040 212 HB3 HIS 52 HB1 HIS 52 -11.325 7.977 -1.265 213 HD1 HIS 52 HD1 HIS 52 -9.314 6.064 1.216 214 HD2 HIS 52 HD2 HIS 52 -11.366 9.670 0.990 215 HE1 HIS 52 HE1 HIS 52 -8.574 7.385 3.223 216 HE2 HIS 52 HE2 HIS 52 -9.887 9.531 3.108 217 H PHE 53 HN PHE 53 -12.787 4.157 -1.469 218 HA PHE 53 HA PHE 53 -13.701 5.214 -4.022 219 HB2 PHE 53 HB2 PHE 53 -12.831 2.500 -3.076 220 HB3 PHE 53 HB1 PHE 53 -13.690 2.686 -4.601 221 HD1 PHE 53 HD1 PHE 53 -12.694 4.237 -6.347 222 HD2 PHE 53 HD2 PHE 53 -10.541 2.884 -2.935 223 HE1 PHE 53 HE1 PHE 53 -10.575 4.799 -7.465 224 HE2 PHE 53 HE2 PHE 53 -8.418 3.442 -4.047 225 HZ PHE 53 HZ PHE 53 -8.440 4.394 -6.330 226 H GLY 54 HN GLY 54 -15.080 4.192 -1.146 227 HA2 GLY 54 HA2 GLY 54 -17.259 3.812 -0.527 228 HA3 GLY 54 HA1 GLY 54 -17.724 4.424 -2.108 229 H VAL 55 HN VAL 55 -15.565 1.743 -1.977 230 HA VAL 55 HA VAL 55 -17.471 0.068 -3.336 231 HB VAL 55 HB VAL 55 -15.573 -1.639 -3.186 232 HG11 VAL 55 HG11 VAL 55 -16.043 -0.323 -5.187 233 HG12 VAL 55 HG12 VAL 55 -14.307 -0.538 -4.967 234 HG13 VAL 55 HG13 VAL 55 -15.064 1.001 -4.556 235 HG21 VAL 55 HG21 VAL 55 -14.132 0.799 -2.149 236 HG22 VAL 55 HG22 VAL 55 -13.344 -0.671 -2.723 237 HG23 VAL 55 HG23 VAL 55 -14.380 -0.727 -1.299 238 H ILE 56 HN ILE 56 -17.555 0.841 -0.304 239 HA ILE 56 HA ILE 56 -17.790 -1.875 0.777 240 HB ILE 56 HB ILE 56 -17.529 0.804 2.127 241 HG12 ILE 56 HG12 ILE 56 -15.586 -0.341 3.218 242 HG13 ILE 56 HG11 ILE 56 -15.886 -1.737 2.190 243 HG21 ILE 56 HG21 ILE 56 -18.231 -1.840 3.392 244 HG22 ILE 56 HG22 ILE 56 -19.219 -0.378 3.367 245 HG23 ILE 56 HG23 ILE 56 -17.712 -0.409 4.282 246 HD11 ILE 56 HD11 ILE 56 -15.357 -0.478 0.225 247 HD12 ILE 56 HD12 ILE 56 -14.060 -0.264 1.402 248 HD13 ILE 56 HD13 ILE 56 -15.249 1.015 1.160 249 H GLY 57 HN GLY 57 -19.559 1.055 0.136 250 HA2 GLY 57 HA2 GLY 57 -21.816 1.443 -0.043 251 HA3 GLY 57 HA1 GLY 57 -22.054 -0.295 0.048 252 HA PRO 58 HA PRO 58 -23.087 1.873 4.176 253 HB2 PRO 58 HB2 PRO 58 -25.570 2.842 3.863 254 HB3 PRO 58 HB1 PRO 58 -24.143 3.784 3.414 255 HG2 PRO 58 HG2 PRO 58 -26.002 2.214 1.673 256 HG3 PRO 58 HG1 PRO 58 -25.286 3.812 1.392 257 HD2 PRO 58 HD2 PRO 58 -24.325 1.483 0.298 258 HD3 PRO 58 HD1 PRO 58 -23.336 2.926 0.589 259 H GLN 59 HN GLN 59 -23.477 0.162 5.435 260 HA GLN 59 HA GLN 59 -25.821 -1.519 4.828 261 HB2 GLN 59 HB2 GLN 59 -24.629 -3.360 5.970 262 HB3 GLN 59 HB1 GLN 59 -23.774 -2.780 4.547 263 HG2 GLN 59 HG2 GLN 59 -22.264 -1.497 5.964 264 HG3 GLN 59 HG1 GLN 59 -23.126 -2.059 7.396 265 HE21 GLN 59 HE21 GLN 59 -22.522 -4.081 4.617 266 HE22 GLN 59 HE22 GLN 59 -21.383 -5.129 5.383 267 H ARG 60 HN ARG 60 -24.472 0.659 7.007 268 HA ARG 60 HA ARG 60 -26.233 -0.290 9.171 269 HB2 ARG 60 HB2 ARG 60 -23.703 1.354 9.348 270 HB3 ARG 60 HB1 ARG 60 -24.749 0.980 10.710 271 HG2 ARG 60 HG2 ARG 60 -23.368 -1.092 9.023 272 HG3 ARG 60 HG1 ARG 60 -22.735 -0.459 10.543 273 HD2 ARG 60 HD2 ARG 60 -24.678 -1.288 11.730 274 HD3 ARG 60 HD1 ARG 60 -25.399 -1.839 10.217 275 HE ARG 60 HE ARG 60 -22.991 -3.119 10.335 276 HH11 ARG 60 HH11 ARG 60 -25.762 -2.894 12.439 277 HH12 ARG 60 HH12 ARG 60 -25.540 -4.475 13.110 278 HH21 ARG 60 HH21 ARG 60 -22.694 -5.200 11.212 279 HH22 ARG 60 HH22 ARG 60 -23.797 -5.788 12.410 Start of MODEL 10 1 H1 ARG 28 HT1 ARG 28 26.244 -4.533 0.888 2 H2 ARG 28 HT2 ARG 28 27.519 -3.780 1.707 3 H3 ARG 28 HT3 ARG 28 26.819 -3.033 0.361 4 HA ARG 28 HA ARG 28 25.425 -3.582 2.917 5 HB2 ARG 28 HB2 ARG 28 25.631 -1.268 3.434 6 HB3 ARG 28 HB1 ARG 28 27.241 -1.812 2.982 7 HG2 ARG 28 HG2 ARG 28 27.218 -0.655 0.982 8 HG3 ARG 28 HG1 ARG 28 25.456 -0.583 0.924 9 HD2 ARG 28 HD2 ARG 28 27.340 1.030 2.623 10 HD3 ARG 28 HD1 ARG 28 26.168 1.605 1.434 11 HE ARG 28 HE ARG 28 24.640 0.349 3.297 12 HH11 ARG 28 HH11 ARG 28 27.049 2.864 3.428 13 HH12 ARG 28 HH12 ARG 28 26.340 3.651 4.797 14 HH21 ARG 28 HH21 ARG 28 23.701 1.378 5.106 15 HH22 ARG 28 HH22 ARG 28 24.440 2.805 5.753 16 H ARG 29 HN ARG 29 23.397 -2.320 3.060 17 HA ARG 29 HA ARG 29 21.991 -2.409 0.503 18 HB2 ARG 29 HB2 ARG 29 20.967 -2.085 3.334 19 HB3 ARG 29 HB1 ARG 29 19.945 -2.151 1.904 20 HG2 ARG 29 HG2 ARG 29 20.782 -4.413 1.430 21 HG3 ARG 29 HG1 ARG 29 21.752 -4.344 2.902 22 HD2 ARG 29 HD2 ARG 29 19.753 -4.142 4.250 23 HD3 ARG 29 HD1 ARG 29 18.751 -4.086 2.801 24 HE ARG 29 HE ARG 29 19.753 -6.418 2.401 25 HH11 ARG 29 HH11 ARG 29 19.024 -5.066 5.528 26 HH12 ARG 29 HH12 ARG 29 18.729 -6.604 6.267 27 HH21 ARG 29 HH21 ARG 29 19.365 -8.448 3.365 28 HH22 ARG 29 HH22 ARG 29 18.919 -8.527 5.037 29 H CYS 30 HN CYS 30 21.756 -0.619 -0.643 30 HA CYS 30 HA CYS 30 22.314 1.945 0.605 31 HB2 CYS 30 HB2 CYS 30 22.421 2.800 -1.707 32 HB3 CYS 30 HB1 CYS 30 23.489 1.422 -1.460 33 HG CYS 30 HG CYS 30 21.156 -0.225 -2.499 34 H LEU 31 HN LEU 31 20.844 3.330 -1.571 35 HA LEU 31 HA LEU 31 18.600 4.126 -0.183 36 HB2 LEU 31 HB2 LEU 31 19.192 4.220 -3.136 37 HB3 LEU 31 HB1 LEU 31 17.797 4.997 -2.418 38 HG LEU 31 HG LEU 31 19.505 6.649 -2.763 39 HD11 LEU 31 HD11 LEU 31 19.342 5.933 0.159 40 HD12 LEU 31 HD12 LEU 31 18.169 6.892 -0.744 41 HD13 LEU 31 HD13 LEU 31 19.806 7.502 -0.500 42 HD21 LEU 31 HD21 LEU 31 21.715 6.527 -1.866 43 HD22 LEU 31 HD22 LEU 31 21.421 5.043 -2.773 44 HD23 LEU 31 HD23 LEU 31 21.349 5.030 -1.009 45 H PHE 32 HN PHE 32 19.036 1.289 -2.081 46 HA PHE 32 HA PHE 32 16.419 0.719 -2.875 47 HB2 PHE 32 HB2 PHE 32 18.342 -0.597 -3.631 48 HB3 PHE 32 HB1 PHE 32 18.607 -1.185 -1.993 49 HD1 PHE 32 HD1 PHE 32 16.392 -1.356 -4.925 50 HD2 PHE 32 HD2 PHE 32 17.320 -2.980 -1.101 51 HE1 PHE 32 HE1 PHE 32 14.912 -3.267 -5.381 52 HE2 PHE 32 HE2 PHE 32 15.842 -4.895 -1.553 53 HZ PHE 32 HZ PHE 32 14.645 -5.049 -3.694 54 H LEU 33 HN LEU 33 17.828 0.866 0.206 55 HA LEU 33 HA LEU 33 16.376 -0.945 1.724 56 HB2 LEU 33 HB2 LEU 33 18.327 0.724 2.307 57 HB3 LEU 33 HB1 LEU 33 17.009 1.777 2.785 58 HG LEU 33 HG LEU 33 16.221 -0.181 4.256 59 HD11 LEU 33 HD11 LEU 33 17.608 -1.909 3.285 60 HD12 LEU 33 HD12 LEU 33 18.027 -1.680 4.984 61 HD13 LEU 33 HD13 LEU 33 19.067 -1.016 3.721 62 HD21 LEU 33 HD21 LEU 33 17.150 1.882 5.147 63 HD22 LEU 33 HD22 LEU 33 18.786 1.280 4.880 64 HD23 LEU 33 HD23 LEU 33 17.739 0.493 6.062 65 H SER 34 HN SER 34 15.611 2.426 0.908 66 HA SER 34 HA SER 34 13.084 2.360 2.265 67 HB2 SER 34 HB2 SER 34 14.372 4.448 2.053 68 HB3 SER 34 HB1 SER 34 14.180 4.386 0.300 69 HG SER 34 HG SER 34 11.770 4.168 1.237 70 H LEU 35 HN LEU 35 14.177 2.006 -1.067 71 HA LEU 35 HA LEU 35 11.737 2.217 -2.390 72 HB2 LEU 35 HB2 LEU 35 13.896 2.088 -3.543 73 HB3 LEU 35 HB1 LEU 35 14.070 0.413 -3.051 74 HG LEU 35 HG LEU 35 11.836 0.065 -4.340 75 HD11 LEU 35 HD11 LEU 35 11.598 1.567 -6.261 76 HD12 LEU 35 HD12 LEU 35 12.870 2.599 -5.605 77 HD13 LEU 35 HD13 LEU 35 11.348 2.413 -4.734 78 HD21 LEU 35 HD21 LEU 35 13.065 -0.659 -6.181 79 HD22 LEU 35 HD22 LEU 35 14.226 -0.692 -4.850 80 HD23 LEU 35 HD23 LEU 35 14.253 0.635 -6.012 81 H PHE 36 HN PHE 36 13.191 -0.520 -0.720 82 HA PHE 36 HA PHE 36 11.160 -2.382 -1.503 83 HB2 PHE 36 HB2 PHE 36 13.477 -3.057 -0.918 84 HB3 PHE 36 HB1 PHE 36 13.174 -2.574 0.747 85 HD1 PHE 36 HD1 PHE 36 12.193 -4.957 -1.897 86 HD2 PHE 36 HD2 PHE 36 12.065 -4.008 2.250 87 HE1 PHE 36 HE1 PHE 36 11.324 -7.208 -1.413 88 HE2 PHE 36 HE2 PHE 36 11.196 -6.257 2.742 89 HZ PHE 36 HZ PHE 36 10.826 -7.861 0.909 90 H SER 37 HN SER 37 11.395 0.058 0.855 91 HA SER 37 HA SER 37 9.564 -1.127 2.741 92 HB2 SER 37 HB2 SER 37 10.613 1.706 2.531 93 HB3 SER 37 HB1 SER 37 9.687 1.058 3.885 94 HG SER 37 HG SER 37 11.991 -0.308 3.098 95 H PHE 38 HN PHE 38 9.399 1.098 0.039 96 HA PHE 38 HA PHE 38 6.823 2.138 0.557 97 HB2 PHE 38 HB2 PHE 38 8.433 1.873 -1.984 98 HB3 PHE 38 HB1 PHE 38 6.846 2.634 -1.944 99 HD1 PHE 38 HD1 PHE 38 10.288 3.201 -1.752 100 HD2 PHE 38 HD2 PHE 38 6.589 4.517 -0.109 101 HE1 PHE 38 HE1 PHE 38 11.334 5.336 -1.118 102 HE2 PHE 38 HE2 PHE 38 7.629 6.653 0.528 103 HZ PHE 38 HZ PHE 38 10.003 7.067 0.024 104 H LEU 39 HN LEU 39 7.936 -0.691 -1.260 105 HA LEU 39 HA LEU 39 5.519 -1.406 -2.436 106 HB2 LEU 39 HB2 LEU 39 7.427 -3.486 -1.460 107 HB3 LEU 39 HB1 LEU 39 6.539 -3.396 -2.962 108 HG LEU 39 HG LEU 39 8.794 -1.516 -2.374 109 HD11 LEU 39 HD11 LEU 39 8.934 -4.178 -3.790 110 HD12 LEU 39 HD12 LEU 39 9.641 -3.814 -2.216 111 HD13 LEU 39 HD13 LEU 39 10.238 -2.997 -3.661 112 HD21 LEU 39 HD21 LEU 39 7.132 -2.286 -4.722 113 HD22 LEU 39 HD22 LEU 39 8.777 -1.694 -4.972 114 HD23 LEU 39 HD23 LEU 39 7.589 -0.680 -4.150 115 H ILE 40 HN ILE 40 6.671 -1.744 0.818 116 HA ILE 40 HA ILE 40 4.831 -3.765 1.639 117 HB ILE 40 HB ILE 40 6.312 -1.752 3.338 118 HG12 ILE 40 HG12 ILE 40 7.063 -4.611 2.699 119 HG13 ILE 40 HG11 ILE 40 7.749 -3.212 1.877 120 HG21 ILE 40 HG21 ILE 40 4.404 -2.799 4.471 121 HG22 ILE 40 HG22 ILE 40 5.943 -3.315 5.163 122 HG23 ILE 40 HG23 ILE 40 5.056 -4.392 4.083 123 HD11 ILE 40 HD11 ILE 40 9.246 -4.015 3.594 124 HD12 ILE 40 HD12 ILE 40 7.978 -3.844 4.810 125 HD13 ILE 40 HD13 ILE 40 8.638 -2.413 4.016 126 H VAL 41 HN VAL 41 4.960 -0.240 2.163 127 HA VAL 41 HA VAL 41 2.437 -0.107 3.450 128 HB VAL 41 HB VAL 41 4.326 1.617 3.549 129 HG11 VAL 41 HG11 VAL 41 4.590 1.869 1.115 130 HG12 VAL 41 HG12 VAL 41 4.292 3.406 1.927 131 HG13 VAL 41 HG13 VAL 41 2.992 2.612 1.036 132 HG21 VAL 41 HG21 VAL 41 2.763 3.464 3.922 133 HG22 VAL 41 HG22 VAL 41 2.155 1.953 4.600 134 HG23 VAL 41 HG23 VAL 41 1.500 2.563 3.080 135 H ALA 42 HN ALA 42 3.404 -0.256 0.153 136 HA ALA 42 HA ALA 42 1.346 1.062 -1.161 137 HB1 ALA 42 HB1 ALA 42 1.855 -0.347 -3.074 138 HB2 ALA 42 HB2 ALA 42 2.732 -1.470 -2.035 139 HB3 ALA 42 HB3 ALA 42 3.341 0.168 -2.276 140 H GLY 43 HN GLY 43 1.359 -2.052 0.426 141 HA2 GLY 43 HA2 GLY 43 -1.166 -2.873 -0.716 142 HA3 GLY 43 HA1 GLY 43 -0.258 -3.718 0.528 143 H ALA 44 HN ALA 44 -0.049 -1.550 2.365 144 HA ALA 44 HA ALA 44 -2.555 -1.824 3.689 145 HB1 ALA 44 HB1 ALA 44 -0.227 -0.021 4.337 146 HB2 ALA 44 HB2 ALA 44 -0.460 -1.668 4.927 147 HB3 ALA 44 HB3 ALA 44 -1.578 -0.390 5.408 148 H THR 45 HN THR 45 -1.253 0.473 1.481 149 HA THR 45 HA THR 45 -2.997 2.640 2.212 150 HB THR 45 HB THR 45 -2.207 3.661 0.058 151 HG1 THR 45 HG1 THR 45 -0.192 1.765 -0.169 152 HG21 THR 45 HG21 THR 45 0.126 3.979 0.820 153 HG22 THR 45 HG22 THR 45 -0.098 2.669 1.979 154 HG23 THR 45 HG23 THR 45 -1.045 4.150 2.126 155 H THR 46 HN THR 46 -3.186 -0.130 0.160 156 HA THR 46 HA THR 46 -5.180 0.819 -1.626 157 HB THR 46 HB THR 46 -4.564 -2.035 -0.834 158 HG1 THR 46 HG1 THR 46 -2.879 -1.824 -2.090 159 HG21 THR 46 HG21 THR 46 -6.753 -1.778 -1.921 160 HG22 THR 46 HG22 THR 46 -5.611 -2.633 -2.958 161 HG23 THR 46 HG23 THR 46 -5.983 -0.936 -3.264 162 H LEU 47 HN LEU 47 -5.319 -1.072 1.376 163 HA LEU 47 HA LEU 47 -8.113 -1.464 1.365 164 HB2 LEU 47 HB2 LEU 47 -6.050 -1.512 3.553 165 HB3 LEU 47 HB1 LEU 47 -7.745 -1.812 3.871 166 HG LEU 47 HG LEU 47 -7.608 -3.695 2.177 167 HD11 LEU 47 HD11 LEU 47 -5.610 -3.086 1.005 168 HD12 LEU 47 HD12 LEU 47 -5.328 -4.619 1.829 169 HD13 LEU 47 HD13 LEU 47 -4.668 -3.125 2.494 170 HD21 LEU 47 HD21 LEU 47 -5.929 -3.868 4.675 171 HD22 LEU 47 HD22 LEU 47 -6.593 -5.238 3.786 172 HD23 LEU 47 HD23 LEU 47 -7.676 -4.091 4.575 173 H PHE 48 HN PHE 48 -6.085 1.166 2.401 174 HA PHE 48 HA PHE 48 -8.130 2.484 3.932 175 HB2 PHE 48 HB2 PHE 48 -5.784 2.797 4.508 176 HB3 PHE 48 HB1 PHE 48 -5.459 3.471 2.915 177 HD1 PHE 48 HD1 PHE 48 -5.892 5.743 2.433 178 HD2 PHE 48 HD2 PHE 48 -7.200 4.053 6.114 179 HE1 PHE 48 HE1 PHE 48 -6.401 7.995 3.283 180 HE2 PHE 48 HE2 PHE 48 -7.710 6.302 6.969 181 HZ PHE 48 HZ PHE 48 -7.305 8.278 5.555 182 H CYS 49 HN CYS 49 -6.812 2.747 0.674 183 HA CYS 49 HA CYS 49 -8.325 5.107 0.040 184 HB2 CYS 49 HB2 CYS 49 -6.177 4.672 -1.048 185 HB3 CYS 49 HB1 CYS 49 -6.820 3.194 -1.755 186 HG CYS 49 HG CYS 49 -6.716 6.063 -3.124 187 H LEU 50 HN LEU 50 -8.869 1.692 -0.106 188 HA LEU 50 HA LEU 50 -10.956 1.802 -2.070 189 HB2 LEU 50 HB2 LEU 50 -9.501 -0.220 -0.679 190 HB3 LEU 50 HB1 LEU 50 -11.216 -0.526 -0.466 191 HG LEU 50 HG LEU 50 -11.434 -0.360 -2.984 192 HD11 LEU 50 HD11 LEU 50 -9.478 0.790 -3.604 193 HD12 LEU 50 HD12 LEU 50 -9.256 -0.863 -4.180 194 HD13 LEU 50 HD13 LEU 50 -8.448 -0.324 -2.707 195 HD21 LEU 50 HD21 LEU 50 -10.640 -2.633 -3.351 196 HD22 LEU 50 HD22 LEU 50 -11.436 -2.495 -1.783 197 HD23 LEU 50 HD23 LEU 50 -9.676 -2.547 -1.877 198 H LEU 51 HN LEU 51 -10.814 1.747 1.456 199 HA LEU 51 HA LEU 51 -13.606 1.453 1.862 200 HB2 LEU 51 HB2 LEU 51 -11.435 2.549 3.646 201 HB3 LEU 51 HB1 LEU 51 -13.091 2.306 4.168 202 HG LEU 51 HG LEU 51 -11.229 0.126 3.216 203 HD11 LEU 51 HD11 LEU 51 -11.208 -0.583 5.550 204 HD12 LEU 51 HD12 LEU 51 -12.191 0.813 5.989 205 HD13 LEU 51 HD13 LEU 51 -10.555 1.046 5.372 206 HD21 LEU 51 HD21 LEU 51 -13.558 -0.372 2.717 207 HD22 LEU 51 HD22 LEU 51 -14.006 -0.012 4.385 208 HD23 LEU 51 HD23 LEU 51 -12.969 -1.393 4.029 209 H HIS 52 HN HIS 52 -11.598 4.157 1.087 210 HA HIS 52 HA HIS 52 -13.309 6.210 2.048 211 HB2 HIS 52 HB2 HIS 52 -10.895 6.531 1.515 212 HB3 HIS 52 HB1 HIS 52 -11.286 6.374 -0.194 213 HD1 HIS 52 HD1 HIS 52 -11.855 8.483 -1.377 214 HD2 HIS 52 HD2 HIS 52 -12.248 8.849 2.743 215 HE1 HIS 52 HE1 HIS 52 -12.372 10.909 -0.965 216 HE2 HIS 52 HE2 HIS 52 -12.688 11.089 1.529 217 H PHE 53 HN PHE 53 -13.179 4.347 -0.904 218 HA PHE 53 HA PHE 53 -15.115 6.056 -2.236 219 HB2 PHE 53 HB2 PHE 53 -13.639 3.562 -3.061 220 HB3 PHE 53 HB1 PHE 53 -14.940 4.238 -4.035 221 HD1 PHE 53 HD1 PHE 53 -11.471 4.329 -3.315 222 HD2 PHE 53 HD2 PHE 53 -14.701 6.694 -4.751 223 HE1 PHE 53 HE1 PHE 53 -9.868 5.864 -4.376 224 HE2 PHE 53 HE2 PHE 53 -13.106 8.235 -5.815 225 HZ PHE 53 HZ PHE 53 -10.686 7.821 -5.629 226 H GLY 54 HN GLY 54 -15.119 3.370 -0.163 227 HA2 GLY 54 HA2 GLY 54 -16.850 2.137 0.711 228 HA3 GLY 54 HA1 GLY 54 -17.953 3.233 -0.110 229 H VAL 55 HN VAL 55 -15.545 1.516 -1.927 230 HA VAL 55 HA VAL 55 -17.337 0.434 -3.752 231 HB VAL 55 HB VAL 55 -15.396 -1.228 -4.225 232 HG11 VAL 55 HG11 VAL 55 -15.886 0.709 -5.602 233 HG12 VAL 55 HG12 VAL 55 -14.143 0.542 -5.388 234 HG13 VAL 55 HG13 VAL 55 -15.032 1.757 -4.470 235 HG21 VAL 55 HG21 VAL 55 -14.042 0.701 -2.339 236 HG22 VAL 55 HG22 VAL 55 -13.224 -0.478 -3.363 237 HG23 VAL 55 HG23 VAL 55 -14.286 -1.024 -2.067 238 H ILE 56 HN ILE 56 -15.580 -1.369 -1.206 239 HA ILE 56 HA ILE 56 -17.621 -3.469 -1.394 240 HB ILE 56 HB ILE 56 -14.850 -3.471 -0.205 241 HG12 ILE 56 HG12 ILE 56 -14.692 -5.478 -1.815 242 HG13 ILE 56 HG11 ILE 56 -16.179 -4.859 -2.525 243 HG21 ILE 56 HG21 ILE 56 -16.965 -5.609 -0.003 244 HG22 ILE 56 HG22 ILE 56 -16.240 -4.703 1.325 245 HG23 ILE 56 HG23 ILE 56 -15.262 -5.837 0.394 246 HD11 ILE 56 HD11 ILE 56 -14.167 -4.158 -3.739 247 HD12 ILE 56 HD12 ILE 56 -13.606 -3.317 -2.294 248 HD13 ILE 56 HD13 ILE 56 -15.082 -2.792 -3.103 249 H GLY 57 HN GLY 57 -19.190 -3.502 0.054 250 HA2 GLY 57 HA2 GLY 57 -18.989 -1.872 2.456 251 HA3 GLY 57 HA1 GLY 57 -20.435 -2.666 1.852 252 HA PRO 58 HA PRO 58 -20.179 -6.209 4.473 253 HB2 PRO 58 HB2 PRO 58 -19.047 -7.905 2.292 254 HB3 PRO 58 HB1 PRO 58 -20.427 -8.210 3.355 255 HG2 PRO 58 HG2 PRO 58 -20.813 -7.473 0.832 256 HG3 PRO 58 HG1 PRO 58 -21.844 -6.839 2.129 257 HD2 PRO 58 HD2 PRO 58 -19.628 -5.505 0.643 258 HD3 PRO 58 HD1 PRO 58 -21.142 -4.821 1.268 259 H GLN 59 HN GLN 59 -17.368 -6.267 2.278 260 HA GLN 59 HA GLN 59 -15.164 -6.663 2.625 261 HB2 GLN 59 HB2 GLN 59 -15.594 -4.490 3.892 262 HB3 GLN 59 HB1 GLN 59 -15.592 -5.465 5.357 263 HG2 GLN 59 HG2 GLN 59 -13.419 -4.721 5.259 264 HG3 GLN 59 HG1 GLN 59 -13.317 -6.311 4.506 265 HE21 GLN 59 HE21 GLN 59 -14.701 -3.523 2.926 266 HE22 GLN 59 HE22 GLN 59 -13.460 -3.337 1.741 267 H ARG 60 HN ARG 60 -15.582 -8.963 2.663 268 HA ARG 60 HA ARG 60 -15.352 -11.063 3.496 269 HB2 ARG 60 HB2 ARG 60 -13.148 -10.225 4.165 270 HB3 ARG 60 HB1 ARG 60 -13.825 -9.624 5.673 271 HG2 ARG 60 HG2 ARG 60 -14.349 -11.901 6.360 272 HG3 ARG 60 HG1 ARG 60 -13.705 -12.516 4.838 273 HD2 ARG 60 HD2 ARG 60 -11.503 -11.625 5.405 274 HD3 ARG 60 HD1 ARG 60 -12.145 -10.988 6.918 275 HE ARG 60 HE ARG 60 -12.691 -13.475 7.344 276 HH11 ARG 60 HH11 ARG 60 -9.895 -12.271 5.647 277 HH12 ARG 60 HH12 ARG 60 -8.894 -13.617 6.080 278 HH21 ARG 60 HH21 ARG 60 -11.380 -15.250 7.916 279 HH22 ARG 60 HH22 ARG 60 -9.739 -15.310 7.368 Start of MODEL 11 1 H1 ARG 28 HT1 ARG 28 25.532 -3.876 5.298 2 H2 ARG 28 HT2 ARG 28 25.817 -3.101 3.822 3 H3 ARG 28 HT3 ARG 28 24.684 -4.354 3.914 4 HA ARG 28 HA ARG 28 23.310 -3.021 5.398 5 HB2 ARG 28 HB2 ARG 28 25.012 -1.623 6.387 6 HB3 ARG 28 HB1 ARG 28 25.429 -0.942 4.821 7 HG2 ARG 28 HG2 ARG 28 22.773 -0.347 4.992 8 HG3 ARG 28 HG1 ARG 28 23.286 -0.224 6.675 9 HD2 ARG 28 HD2 ARG 28 24.765 1.110 4.424 10 HD3 ARG 28 HD1 ARG 28 23.437 1.895 5.278 11 HE ARG 28 HE ARG 28 25.611 0.879 6.919 12 HH11 ARG 28 HH11 ARG 28 24.160 3.605 5.304 13 HH12 ARG 28 HH12 ARG 28 25.006 4.781 6.254 14 HH21 ARG 28 HH21 ARG 28 26.730 2.422 8.172 15 HH22 ARG 28 HH22 ARG 28 26.468 4.109 7.883 16 H ARG 29 HN ARG 29 21.521 -2.433 4.339 17 HA ARG 29 HA ARG 29 21.635 -2.039 1.485 18 HB2 ARG 29 HB2 ARG 29 19.288 -1.966 3.394 19 HB3 ARG 29 HB1 ARG 29 19.167 -1.943 1.641 20 HG2 ARG 29 HG2 ARG 29 20.250 -4.164 1.576 21 HG3 ARG 29 HG1 ARG 29 20.244 -4.183 3.341 22 HD2 ARG 29 HD2 ARG 29 18.358 -5.441 2.465 23 HD3 ARG 29 HD1 ARG 29 17.802 -4.010 3.330 24 HE ARG 29 HE ARG 29 17.969 -3.224 0.715 25 HH11 ARG 29 HH11 ARG 29 16.311 -5.760 2.436 26 HH12 ARG 29 HH12 ARG 29 14.969 -5.802 1.341 27 HH21 ARG 29 HH21 ARG 29 16.205 -3.275 -0.733 28 HH22 ARG 29 HH22 ARG 29 14.910 -4.390 -0.459 29 H CYS 30 HN CYS 30 21.908 -0.126 0.549 30 HA CYS 30 HA CYS 30 21.956 2.280 2.067 31 HB2 CYS 30 HB2 CYS 30 22.515 3.370 -0.059 32 HB3 CYS 30 HB1 CYS 30 23.483 1.922 0.192 33 HG CYS 30 HG CYS 30 22.440 0.439 -1.753 34 H LEU 31 HN LEU 31 20.907 3.936 -0.163 35 HA LEU 31 HA LEU 31 18.465 4.645 0.860 36 HB2 LEU 31 HB2 LEU 31 19.662 4.998 -1.867 37 HB3 LEU 31 HB1 LEU 31 18.065 5.617 -1.497 38 HG LEU 31 HG LEU 31 19.798 7.347 -1.300 39 HD11 LEU 31 HD11 LEU 31 17.761 7.476 0.057 40 HD12 LEU 31 HD12 LEU 31 19.147 8.201 0.871 41 HD13 LEU 31 HD13 LEU 31 18.579 6.602 1.353 42 HD21 LEU 31 HD21 LEU 31 20.885 5.627 0.932 43 HD22 LEU 31 HD22 LEU 31 21.425 7.256 0.524 44 HD23 LEU 31 HD23 LEU 31 21.667 5.935 -0.619 45 H PHE 32 HN PHE 32 19.145 2.033 -1.347 46 HA PHE 32 HA PHE 32 16.641 1.659 -2.504 47 HB2 PHE 32 HB2 PHE 32 18.849 -0.243 -1.770 48 HB3 PHE 32 HB1 PHE 32 17.336 -0.849 -2.436 49 HD1 PHE 32 HD1 PHE 32 16.548 0.310 -4.646 50 HD2 PHE 32 HD2 PHE 32 20.552 0.329 -3.210 51 HE1 PHE 32 HE1 PHE 32 17.358 0.766 -6.924 52 HE2 PHE 32 HE2 PHE 32 21.370 0.789 -5.484 53 HZ PHE 32 HZ PHE 32 19.774 1.009 -7.345 54 H LEU 33 HN LEU 33 17.616 1.342 0.726 55 HA LEU 33 HA LEU 33 15.983 -0.605 1.801 56 HB2 LEU 33 HB2 LEU 33 17.763 0.928 2.893 57 HB3 LEU 33 HB1 LEU 33 16.429 2.032 3.166 58 HG LEU 33 HG LEU 33 15.289 0.006 4.321 59 HD11 LEU 33 HD11 LEU 33 16.844 -1.698 3.617 60 HD12 LEU 33 HD12 LEU 33 16.915 -1.523 5.372 61 HD13 LEU 33 HD13 LEU 33 18.185 -0.827 4.364 62 HD21 LEU 33 HD21 LEU 33 17.656 1.404 5.564 63 HD22 LEU 33 HD22 LEU 33 16.354 0.599 6.442 64 HD23 LEU 33 HD23 LEU 33 16.010 2.031 5.472 65 H SER 34 HN SER 34 15.241 2.818 1.214 66 HA SER 34 HA SER 34 12.612 2.747 2.239 67 HB2 SER 34 HB2 SER 34 13.793 4.614 0.169 68 HB3 SER 34 HB1 SER 34 12.313 4.893 1.085 69 HG SER 34 HG SER 34 14.944 5.165 1.849 70 H LEU 35 HN LEU 35 13.949 2.140 -0.956 71 HA LEU 35 HA LEU 35 11.604 2.156 -2.458 72 HB2 LEU 35 HB2 LEU 35 13.789 2.049 -3.494 73 HB3 LEU 35 HB1 LEU 35 14.089 0.472 -2.789 74 HG LEU 35 HG LEU 35 12.052 -0.318 -4.131 75 HD11 LEU 35 HD11 LEU 35 11.584 0.959 -6.157 76 HD12 LEU 35 HD12 LEU 35 12.667 2.238 -5.607 77 HD13 LEU 35 HD13 LEU 35 11.189 1.889 -4.711 78 HD21 LEU 35 HD21 LEU 35 13.455 -1.021 -5.815 79 HD22 LEU 35 HD22 LEU 35 14.603 -0.593 -4.543 80 HD23 LEU 35 HD23 LEU 35 14.317 0.518 -5.883 81 H PHE 36 HN PHE 36 13.213 -0.643 -0.945 82 HA PHE 36 HA PHE 36 11.210 -2.510 -1.585 83 HB2 PHE 36 HB2 PHE 36 13.576 -3.006 -0.845 84 HB3 PHE 36 HB1 PHE 36 13.060 -2.644 0.798 85 HD1 PHE 36 HD1 PHE 36 12.871 -5.026 -1.960 86 HD2 PHE 36 HD2 PHE 36 11.570 -4.133 1.993 87 HE1 PHE 36 HE1 PHE 36 12.106 -7.349 -1.691 88 HE2 PHE 36 HE2 PHE 36 10.804 -6.454 2.269 89 HZ PHE 36 HZ PHE 36 11.092 -8.074 0.417 90 H SER 37 HN SER 37 11.555 -0.252 1.064 91 HA SER 37 HA SER 37 9.521 -1.426 2.701 92 HB2 SER 37 HB2 SER 37 10.756 1.337 2.780 93 HB3 SER 37 HB1 SER 37 9.713 0.656 4.027 94 HG SER 37 HG SER 37 11.490 -1.141 3.787 95 H PHE 38 HN PHE 38 9.431 0.370 -0.131 96 HA PHE 38 HA PHE 38 6.986 1.802 0.423 97 HB2 PHE 38 HB2 PHE 38 8.662 2.743 -1.108 98 HB3 PHE 38 HB1 PHE 38 8.460 1.366 -2.184 99 HD1 PHE 38 HD1 PHE 38 6.642 1.244 -3.705 100 HD2 PHE 38 HD2 PHE 38 6.838 4.385 -0.839 101 HE1 PHE 38 HE1 PHE 38 4.844 2.435 -4.891 102 HE2 PHE 38 HE2 PHE 38 5.040 5.579 -2.020 103 HZ PHE 38 HZ PHE 38 4.042 4.604 -4.050 104 H LEU 39 HN LEU 39 7.951 -1.138 -1.260 105 HA LEU 39 HA LEU 39 5.479 -1.675 -2.501 106 HB2 LEU 39 HB2 LEU 39 7.775 -3.433 -1.679 107 HB3 LEU 39 HB1 LEU 39 6.344 -4.087 -2.458 108 HG LEU 39 HG LEU 39 6.842 -2.347 -4.312 109 HD11 LEU 39 HD11 LEU 39 8.471 -0.984 -3.404 110 HD12 LEU 39 HD12 LEU 39 9.413 -2.078 -4.421 111 HD13 LEU 39 HD13 LEU 39 9.334 -2.337 -2.675 112 HD21 LEU 39 HD21 LEU 39 7.035 -4.753 -4.623 113 HD22 LEU 39 HD22 LEU 39 8.631 -4.738 -3.872 114 HD23 LEU 39 HD23 LEU 39 8.373 -3.919 -5.412 115 H ILE 40 HN ILE 40 6.601 -2.103 0.751 116 HA ILE 40 HA ILE 40 4.629 -4.022 1.528 117 HB ILE 40 HB ILE 40 6.273 -2.166 3.256 118 HG12 ILE 40 HG12 ILE 40 6.736 -5.079 2.595 119 HG13 ILE 40 HG11 ILE 40 7.572 -3.748 1.801 120 HG21 ILE 40 HG21 ILE 40 5.752 -3.703 5.072 121 HG22 ILE 40 HG22 ILE 40 4.756 -4.669 3.985 122 HG23 ILE 40 HG23 ILE 40 4.276 -3.021 4.390 123 HD11 ILE 40 HD11 ILE 40 7.692 -4.404 4.737 124 HD12 ILE 40 HD12 ILE 40 8.538 -3.078 3.936 125 HD13 ILE 40 HD13 ILE 40 8.941 -4.750 3.540 126 H VAL 41 HN VAL 41 5.009 -0.530 2.160 127 HA VAL 41 HA VAL 41 2.552 -0.213 3.494 128 HB VAL 41 HB VAL 41 4.526 1.417 3.441 129 HG11 VAL 41 HG11 VAL 41 4.503 3.147 1.762 130 HG12 VAL 41 HG12 VAL 41 3.105 2.413 0.975 131 HG13 VAL 41 HG13 VAL 41 4.657 1.575 0.978 132 HG21 VAL 41 HG21 VAL 41 1.711 2.449 3.102 133 HG22 VAL 41 HG22 VAL 41 3.053 3.365 3.789 134 HG23 VAL 41 HG23 VAL 41 2.463 1.917 4.606 135 H ALA 42 HN ALA 42 3.329 -0.512 0.157 136 HA ALA 42 HA ALA 42 1.271 0.879 -1.083 137 HB1 ALA 42 HB1 ALA 42 3.147 -0.149 -2.281 138 HB2 ALA 42 HB2 ALA 42 1.593 -0.614 -2.975 139 HB3 ALA 42 HB3 ALA 42 2.476 -1.746 -1.951 140 H GLY 43 HN GLY 43 1.291 -2.485 0.084 141 HA2 GLY 43 HA2 GLY 43 -1.344 -3.102 -0.712 142 HA3 GLY 43 HA1 GLY 43 -0.425 -3.946 0.526 143 H ALA 44 HN ALA 44 -0.112 -1.352 2.017 144 HA ALA 44 HA ALA 44 -2.519 -1.613 3.581 145 HB1 ALA 44 HB1 ALA 44 -0.159 0.227 3.951 146 HB2 ALA 44 HB2 ALA 44 -0.347 -1.371 4.672 147 HB3 ALA 44 HB3 ALA 44 -1.442 -0.065 5.126 148 H THR 45 HN THR 45 -1.014 0.897 1.582 149 HA THR 45 HA THR 45 -2.849 2.950 2.111 150 HB THR 45 HB THR 45 -2.101 3.932 -0.049 151 HG1 THR 45 HG1 THR 45 -1.790 1.811 -1.074 152 HG21 THR 45 HG21 THR 45 -0.812 4.272 2.020 153 HG22 THR 45 HG22 THR 45 0.225 4.246 0.593 154 HG23 THR 45 HG23 THR 45 0.143 2.836 1.650 155 H THR 46 HN THR 46 -2.932 0.266 -0.146 156 HA THR 46 HA THR 46 -5.066 1.140 -1.752 157 HB THR 46 HB THR 46 -4.365 -1.719 -1.054 158 HG1 THR 46 HG1 THR 46 -2.557 -1.059 -2.014 159 HG21 THR 46 HG21 THR 46 -5.778 -0.563 -3.462 160 HG22 THR 46 HG22 THR 46 -6.557 -1.441 -2.145 161 HG23 THR 46 HG23 THR 46 -5.400 -2.265 -3.193 162 H LEU 47 HN LEU 47 -4.977 -0.683 1.271 163 HA LEU 47 HA LEU 47 -7.696 -1.350 1.428 164 HB2 LEU 47 HB2 LEU 47 -5.577 -1.989 2.899 165 HB3 LEU 47 HB1 LEU 47 -6.173 -0.684 3.905 166 HG LEU 47 HG LEU 47 -6.956 -2.850 4.709 167 HD11 LEU 47 HD11 LEU 47 -8.372 -0.895 5.059 168 HD12 LEU 47 HD12 LEU 47 -9.336 -2.356 4.848 169 HD13 LEU 47 HD13 LEU 47 -9.184 -1.202 3.524 170 HD21 LEU 47 HD21 LEU 47 -8.334 -3.089 2.037 171 HD22 LEU 47 HD22 LEU 47 -8.508 -4.197 3.399 172 HD23 LEU 47 HD23 LEU 47 -6.954 -4.044 2.578 173 H PHE 48 HN PHE 48 -5.925 1.436 2.749 174 HA PHE 48 HA PHE 48 -8.075 2.715 3.984 175 HB2 PHE 48 HB2 PHE 48 -5.491 3.721 2.817 176 HB3 PHE 48 HB1 PHE 48 -6.665 4.837 3.507 177 HD1 PHE 48 HD1 PHE 48 -5.085 1.579 4.438 178 HD2 PHE 48 HD2 PHE 48 -6.273 5.478 5.665 179 HE1 PHE 48 HE1 PHE 48 -4.168 1.149 6.680 180 HE2 PHE 48 HE2 PHE 48 -5.359 5.054 7.909 181 HZ PHE 48 HZ PHE 48 -4.304 2.888 8.419 182 H CYS 49 HN CYS 49 -6.738 3.219 0.723 183 HA CYS 49 HA CYS 49 -8.664 5.102 -0.098 184 HB2 CYS 49 HB2 CYS 49 -7.029 3.191 -1.780 185 HB3 CYS 49 HB1 CYS 49 -7.888 4.604 -2.384 186 HG CYS 49 HG CYS 49 -5.692 5.949 -2.302 187 H LEU 50 HN LEU 50 -8.765 1.662 0.177 188 HA LEU 50 HA LEU 50 -10.876 1.183 -1.675 189 HB2 LEU 50 HB2 LEU 50 -9.150 -0.386 -0.238 190 HB3 LEU 50 HB1 LEU 50 -10.697 -0.700 0.533 191 HG LEU 50 HG LEU 50 -10.402 -2.327 -1.158 192 HD11 LEU 50 HD11 LEU 50 -12.660 -1.403 -0.998 193 HD12 LEU 50 HD12 LEU 50 -12.285 -1.955 -2.630 194 HD13 LEU 50 HD13 LEU 50 -12.256 -0.233 -2.255 195 HD21 LEU 50 HD21 LEU 50 -8.662 -1.026 -2.381 196 HD22 LEU 50 HD22 LEU 50 -9.971 -0.143 -3.167 197 HD23 LEU 50 HD23 LEU 50 -9.809 -1.883 -3.413 198 H LEU 51 HN LEU 51 -10.742 1.990 1.741 199 HA LEU 51 HA LEU 51 -13.560 1.529 2.147 200 HB2 LEU 51 HB2 LEU 51 -11.507 2.870 3.906 201 HB3 LEU 51 HB1 LEU 51 -13.149 2.494 4.388 202 HG LEU 51 HG LEU 51 -11.092 0.434 3.592 203 HD11 LEU 51 HD11 LEU 51 -11.009 -0.104 5.983 204 HD12 LEU 51 HD12 LEU 51 -12.049 1.280 6.320 205 HD13 LEU 51 HD13 LEU 51 -10.437 1.531 5.651 206 HD21 LEU 51 HD21 LEU 51 -13.371 -0.296 3.180 207 HD22 LEU 51 HD22 LEU 51 -13.836 0.169 4.816 208 HD23 LEU 51 HD23 LEU 51 -12.695 -1.153 4.566 209 H HIS 52 HN HIS 52 -11.548 4.161 1.177 210 HA HIS 52 HA HIS 52 -13.390 6.242 1.885 211 HB2 HIS 52 HB2 HIS 52 -10.956 6.233 0.096 212 HB3 HIS 52 HB1 HIS 52 -11.887 7.676 0.481 213 HD1 HIS 52 HD1 HIS 52 -8.861 6.316 1.395 214 HD2 HIS 52 HD2 HIS 52 -12.113 7.616 3.632 215 HE1 HIS 52 HE1 HIS 52 -7.947 6.807 3.686 216 HE2 HIS 52 HE2 HIS 52 -9.940 7.555 5.035 217 H PHE 53 HN PHE 53 -12.502 4.638 -1.173 218 HA PHE 53 HA PHE 53 -14.712 6.040 -2.494 219 HB2 PHE 53 HB2 PHE 53 -12.436 6.045 -3.536 220 HB3 PHE 53 HB1 PHE 53 -12.583 4.305 -3.753 221 HD1 PHE 53 HD1 PHE 53 -14.576 7.381 -4.456 222 HD2 PHE 53 HD2 PHE 53 -13.236 3.583 -5.825 223 HE1 PHE 53 HE1 PHE 53 -15.724 7.755 -6.599 224 HE2 PHE 53 HE2 PHE 53 -14.381 3.948 -7.972 225 HZ PHE 53 HZ PHE 53 -15.627 6.037 -8.361 226 H GLY 54 HN GLY 54 -13.697 2.866 -1.476 227 HA2 GLY 54 HA2 GLY 54 -15.069 1.012 -1.143 228 HA3 GLY 54 HA1 GLY 54 -16.361 1.847 -1.988 229 H VAL 55 HN VAL 55 -14.467 2.406 -4.260 230 HA VAL 55 HA VAL 55 -13.964 1.528 -6.288 231 HB VAL 55 HB VAL 55 -13.414 -0.987 -4.706 232 HG11 VAL 55 HG11 VAL 55 -13.688 -1.505 -7.052 233 HG12 VAL 55 HG12 VAL 55 -11.979 -1.595 -6.624 234 HG13 VAL 55 HG13 VAL 55 -12.597 -0.194 -7.500 235 HG21 VAL 55 HG21 VAL 55 -12.085 0.886 -3.928 236 HG22 VAL 55 HG22 VAL 55 -11.592 1.252 -5.581 237 HG23 VAL 55 HG23 VAL 55 -11.069 -0.249 -4.817 238 H ILE 56 HN ILE 56 -15.265 -1.448 -4.859 239 HA ILE 56 HA ILE 56 -16.872 -1.994 -7.136 240 HB ILE 56 HB ILE 56 -16.846 -3.235 -4.386 241 HG12 ILE 56 HG12 ILE 56 -15.966 -5.191 -5.880 242 HG13 ILE 56 HG11 ILE 56 -15.620 -3.916 -7.042 243 HG21 ILE 56 HG21 ILE 56 -18.410 -4.066 -6.824 244 HG22 ILE 56 HG22 ILE 56 -19.063 -3.525 -5.276 245 HG23 ILE 56 HG23 ILE 56 -18.195 -5.058 -5.382 246 HD11 ILE 56 HD11 ILE 56 -13.708 -4.589 -5.590 247 HD12 ILE 56 HD12 ILE 56 -14.589 -3.911 -4.220 248 HD13 ILE 56 HD13 ILE 56 -14.095 -2.872 -5.555 249 H GLY 57 HN GLY 57 -18.695 -1.029 -7.654 250 HA2 GLY 57 HA2 GLY 57 -20.477 -0.115 -5.480 251 HA3 GLY 57 HA1 GLY 57 -20.220 0.820 -6.946 252 HA PRO 58 HA PRO 58 -24.115 -1.558 -7.637 253 HB2 PRO 58 HB2 PRO 58 -25.140 0.273 -9.395 254 HB3 PRO 58 HB1 PRO 58 -25.362 0.359 -7.645 255 HG2 PRO 58 HG2 PRO 58 -23.402 1.808 -9.380 256 HG3 PRO 58 HG1 PRO 58 -24.361 2.421 -8.020 257 HD2 PRO 58 HD2 PRO 58 -21.759 1.787 -7.753 258 HD3 PRO 58 HD1 PRO 58 -22.928 1.521 -6.442 259 H GLN 59 HN GLN 59 -24.597 -2.911 -9.306 260 HA GLN 59 HA GLN 59 -23.059 -2.594 -11.797 261 HB2 GLN 59 HB2 GLN 59 -23.610 -5.167 -10.309 262 HB3 GLN 59 HB1 GLN 59 -22.843 -5.057 -11.888 263 HG2 GLN 59 HG2 GLN 59 -20.968 -3.875 -10.941 264 HG3 GLN 59 HG1 GLN 59 -21.754 -3.832 -9.363 265 HE21 GLN 59 HE21 GLN 59 -20.075 -4.920 -8.365 266 HE22 GLN 59 HE22 GLN 59 -19.786 -6.607 -8.610 267 H ARG 60 HN ARG 60 -24.665 -1.871 -13.105 268 HA ARG 60 HA ARG 60 -26.853 -3.747 -13.626 269 HB2 ARG 60 HB2 ARG 60 -27.690 -1.934 -12.127 270 HB3 ARG 60 HB1 ARG 60 -27.268 -0.763 -13.368 271 HG2 ARG 60 HG2 ARG 60 -29.606 -1.200 -13.513 272 HG3 ARG 60 HG1 ARG 60 -28.824 -1.933 -14.914 273 HD2 ARG 60 HD2 ARG 60 -30.504 -3.425 -13.957 274 HD3 ARG 60 HD1 ARG 60 -28.887 -4.113 -13.818 275 HE ARG 60 HE ARG 60 -29.761 -2.647 -11.495 276 HH11 ARG 60 HH11 ARG 60 -29.686 -5.744 -13.094 277 HH12 ARG 60 HH12 ARG 60 -29.903 -6.647 -11.633 278 HH21 ARG 60 HH21 ARG 60 -30.042 -3.831 -9.566 279 HH22 ARG 60 HH22 ARG 60 -30.104 -5.561 -9.628 Start of MODEL 12 1 H1 ARG 28 HT1 ARG 28 26.630 -2.404 -3.123 2 H2 ARG 28 HT2 ARG 28 26.221 -3.219 -1.698 3 H3 ARG 28 HT3 ARG 28 27.758 -2.533 -1.868 4 HA ARG 28 HA ARG 28 26.386 -1.185 -0.436 5 HB2 ARG 28 HB2 ARG 28 28.063 -0.029 -1.715 6 HB3 ARG 28 HB1 ARG 28 27.040 -0.013 -3.143 7 HG2 ARG 28 HG2 ARG 28 25.938 1.298 -0.740 8 HG3 ARG 28 HG1 ARG 28 27.325 2.082 -1.498 9 HD2 ARG 28 HD2 ARG 28 24.773 1.296 -2.902 10 HD3 ARG 28 HD1 ARG 28 25.181 2.925 -2.368 11 HE ARG 28 HE ARG 28 27.243 2.000 -4.016 12 HH11 ARG 28 HH11 ARG 28 23.877 2.876 -4.240 13 HH12 ARG 28 HH12 ARG 28 23.988 3.387 -5.891 14 HH21 ARG 28 HH21 ARG 28 27.394 2.673 -6.192 15 HH22 ARG 28 HH22 ARG 28 25.984 3.270 -7.000 16 H ARG 29 HN ARG 29 24.400 -0.631 0.142 17 HA ARG 29 HA ARG 29 22.259 -0.833 -1.858 18 HB2 ARG 29 HB2 ARG 29 20.754 -0.992 0.156 19 HB3 ARG 29 HB1 ARG 29 21.874 -2.330 -0.044 20 HG2 ARG 29 HG2 ARG 29 22.621 -0.034 1.710 21 HG3 ARG 29 HG1 ARG 29 21.505 -1.266 2.300 22 HD2 ARG 29 HD2 ARG 29 24.296 -1.739 1.254 23 HD3 ARG 29 HD1 ARG 29 23.796 -1.784 2.944 24 HE ARG 29 HE ARG 29 22.310 -3.604 1.317 25 HH11 ARG 29 HH11 ARG 29 25.307 -3.161 3.042 26 HH12 ARG 29 HH12 ARG 29 25.582 -4.857 3.256 27 HH21 ARG 29 HH21 ARG 29 22.667 -5.839 1.597 28 HH22 ARG 29 HH22 ARG 29 24.084 -6.378 2.435 29 H CYS 30 HN CYS 30 21.442 0.996 -2.613 30 HA CYS 30 HA CYS 30 21.859 3.460 -1.095 31 HB2 CYS 30 HB2 CYS 30 21.367 4.616 -3.230 32 HB3 CYS 30 HB1 CYS 30 22.718 3.497 -3.363 33 HG CYS 30 HG CYS 30 19.761 3.471 -4.931 34 H LEU 31 HN LEU 31 19.784 4.797 -2.754 35 HA LEU 31 HA LEU 31 17.735 4.991 -0.963 36 HB2 LEU 31 HB2 LEU 31 17.782 5.414 -3.935 37 HB3 LEU 31 HB1 LEU 31 16.336 5.715 -2.994 38 HG LEU 31 HG LEU 31 17.547 7.786 -3.393 39 HD11 LEU 31 HD11 LEU 31 17.725 8.579 -1.099 40 HD12 LEU 31 HD12 LEU 31 17.741 6.915 -0.514 41 HD13 LEU 31 HD13 LEU 31 16.302 7.556 -1.307 42 HD21 LEU 31 HD21 LEU 31 19.797 6.860 -3.631 43 HD22 LEU 31 HD22 LEU 31 19.831 6.493 -1.906 44 HD23 LEU 31 HD23 LEU 31 19.763 8.169 -2.449 45 H PHE 32 HN PHE 32 18.221 2.447 -3.288 46 HA PHE 32 HA PHE 32 15.656 1.446 -3.588 47 HB2 PHE 32 HB2 PHE 32 18.284 -0.033 -3.374 48 HB3 PHE 32 HB1 PHE 32 16.771 -0.806 -3.834 49 HD1 PHE 32 HD1 PHE 32 15.539 1.060 -5.648 50 HD2 PHE 32 HD2 PHE 32 19.647 0.037 -5.220 51 HE1 PHE 32 HE1 PHE 32 15.933 1.678 -7.996 52 HE2 PHE 32 HE2 PHE 32 20.050 0.657 -7.567 53 HZ PHE 32 HZ PHE 32 18.192 1.478 -8.958 54 H LEU 33 HN LEU 33 17.582 1.620 -0.795 55 HA LEU 33 HA LEU 33 16.595 -0.541 0.709 56 HB2 LEU 33 HB2 LEU 33 18.527 1.327 1.074 57 HB3 LEU 33 HB1 LEU 33 17.281 1.948 2.144 58 HG LEU 33 HG LEU 33 17.211 -0.333 3.226 59 HD11 LEU 33 HD11 LEU 33 19.686 -0.690 1.549 60 HD12 LEU 33 HD12 LEU 33 18.210 -1.655 1.493 61 HD13 LEU 33 HD13 LEU 33 19.250 -1.714 2.917 62 HD21 LEU 33 HD21 LEU 33 19.802 1.208 3.342 63 HD22 LEU 33 HD22 LEU 33 19.229 0.063 4.556 64 HD23 LEU 33 HD23 LEU 33 18.340 1.558 4.265 65 H SER 34 HN SER 34 15.637 2.888 0.624 66 HA SER 34 HA SER 34 13.345 2.386 2.317 67 HB2 SER 34 HB2 SER 34 14.194 4.896 0.847 68 HB3 SER 34 HB1 SER 34 12.900 4.797 2.041 69 HG SER 34 HG SER 34 14.451 4.219 3.590 70 H LEU 35 HN LEU 35 14.022 2.007 -0.916 71 HA LEU 35 HA LEU 35 11.437 2.774 -1.952 72 HB2 LEU 35 HB2 LEU 35 13.575 2.941 -3.254 73 HB3 LEU 35 HB1 LEU 35 13.633 1.190 -3.287 74 HG LEU 35 HG LEU 35 12.753 2.442 -5.358 75 HD11 LEU 35 HD11 LEU 35 10.900 0.310 -4.392 76 HD12 LEU 35 HD12 LEU 35 12.606 -0.044 -4.667 77 HD13 LEU 35 HD13 LEU 35 11.602 0.549 -5.994 78 HD21 LEU 35 HD21 LEU 35 11.179 3.894 -4.130 79 HD22 LEU 35 HD22 LEU 35 10.245 2.468 -3.678 80 HD23 LEU 35 HD23 LEU 35 10.385 2.930 -5.374 81 H PHE 36 HN PHE 36 13.084 -0.153 -0.946 82 HA PHE 36 HA PHE 36 11.139 -1.964 -1.982 83 HB2 PHE 36 HB2 PHE 36 13.459 -2.649 -1.511 84 HB3 PHE 36 HB1 PHE 36 13.189 -2.374 0.207 85 HD1 PHE 36 HD1 PHE 36 12.236 -4.479 -2.671 86 HD2 PHE 36 HD2 PHE 36 12.133 -3.997 1.557 87 HE1 PHE 36 HE1 PHE 36 11.445 -6.797 -2.430 88 HE2 PHE 36 HE2 PHE 36 11.343 -6.314 1.806 89 HZ PHE 36 HZ PHE 36 10.988 -7.714 -0.191 90 H SER 37 HN SER 37 11.460 -0.115 0.939 91 HA SER 37 HA SER 37 9.542 -1.630 2.447 92 HB2 SER 37 HB2 SER 37 11.305 -0.384 3.597 93 HB3 SER 37 HB1 SER 37 10.694 1.129 2.929 94 HG SER 37 HG SER 37 9.326 1.188 4.507 95 H PHE 38 HN PHE 38 9.258 0.456 -0.118 96 HA PHE 38 HA PHE 38 6.829 1.784 0.722 97 HB2 PHE 38 HB2 PHE 38 8.462 2.870 -0.810 98 HB3 PHE 38 HB1 PHE 38 8.093 1.652 -2.025 99 HD1 PHE 38 HD1 PHE 38 6.046 1.720 -3.276 100 HD2 PHE 38 HD2 PHE 38 6.829 4.585 -0.228 101 HE1 PHE 38 HE1 PHE 38 4.189 3.106 -4.107 102 HE2 PHE 38 HE2 PHE 38 4.973 5.975 -1.054 103 HZ PHE 38 HZ PHE 38 3.657 5.243 -2.994 104 H LEU 39 HN LEU 39 7.750 -0.954 -1.290 105 HA LEU 39 HA LEU 39 5.210 -1.417 -2.445 106 HB2 LEU 39 HB2 LEU 39 7.615 -3.161 -1.987 107 HB3 LEU 39 HB1 LEU 39 6.151 -3.795 -2.715 108 HG LEU 39 HG LEU 39 6.430 -1.885 -4.429 109 HD11 LEU 39 HD11 LEU 39 9.008 -1.833 -2.944 110 HD12 LEU 39 HD12 LEU 39 8.042 -0.493 -3.567 111 HD13 LEU 39 HD13 LEU 39 8.994 -1.485 -4.675 112 HD21 LEU 39 HD21 LEU 39 8.412 -4.160 -4.358 113 HD22 LEU 39 HD22 LEU 39 7.921 -3.253 -5.789 114 HD23 LEU 39 HD23 LEU 39 6.750 -4.262 -4.938 115 H ILE 40 HN ILE 40 6.441 -1.954 0.695 116 HA ILE 40 HA ILE 40 4.634 -4.094 1.387 117 HB ILE 40 HB ILE 40 6.359 -2.352 3.156 118 HG12 ILE 40 HG12 ILE 40 6.803 -5.201 2.250 119 HG13 ILE 40 HG11 ILE 40 7.555 -3.804 1.486 120 HG21 ILE 40 HG21 ILE 40 4.892 -4.910 3.783 121 HG22 ILE 40 HG22 ILE 40 4.479 -3.303 4.382 122 HG23 ILE 40 HG23 ILE 40 5.995 -4.063 4.867 123 HD11 ILE 40 HD11 ILE 40 7.913 -4.622 4.360 124 HD12 ILE 40 HD12 ILE 40 8.706 -3.270 3.551 125 HD13 ILE 40 HD13 ILE 40 9.055 -4.926 3.052 126 H VAL 41 HN VAL 41 4.962 -0.673 2.338 127 HA VAL 41 HA VAL 41 2.604 -0.541 3.853 128 HB VAL 41 HB VAL 41 4.498 1.149 3.815 129 HG11 VAL 41 HG11 VAL 41 4.607 1.485 1.403 130 HG12 VAL 41 HG12 VAL 41 4.312 3.007 2.245 131 HG13 VAL 41 HG13 VAL 41 2.988 2.184 1.420 132 HG21 VAL 41 HG21 VAL 41 3.003 3.046 4.322 133 HG22 VAL 41 HG22 VAL 41 2.477 1.543 5.080 134 HG23 VAL 41 HG23 VAL 41 1.655 2.139 3.638 135 H ALA 42 HN ALA 42 3.128 -0.563 0.456 136 HA ALA 42 HA ALA 42 0.951 0.842 -0.529 137 HB1 ALA 42 HB1 ALA 42 2.141 -1.687 -1.661 138 HB2 ALA 42 HB2 ALA 42 2.750 -0.054 -1.931 139 HB3 ALA 42 HB3 ALA 42 1.159 -0.514 -2.536 140 H GLY 43 HN GLY 43 1.118 -2.600 0.377 141 HA2 GLY 43 HA2 GLY 43 -1.531 -3.250 -0.287 142 HA3 GLY 43 HA1 GLY 43 -0.534 -4.113 0.874 143 H ALA 44 HN ALA 44 -0.195 -1.696 2.539 144 HA ALA 44 HA ALA 44 -2.608 -2.018 4.097 145 HB1 ALA 44 HB1 ALA 44 -0.116 -0.406 4.628 146 HB2 ALA 44 HB2 ALA 44 -0.469 -2.026 5.230 147 HB3 ALA 44 HB3 ALA 44 -1.433 -0.653 5.772 148 H THR 45 HN THR 45 -1.182 0.400 2.024 149 HA THR 45 HA THR 45 -2.949 2.511 2.891 150 HB THR 45 HB THR 45 -1.998 3.792 0.991 151 HG1 THR 45 HG1 THR 45 -1.528 1.543 -0.085 152 HG21 THR 45 HG21 THR 45 0.323 3.880 1.840 153 HG22 THR 45 HG22 THR 45 0.020 2.405 2.760 154 HG23 THR 45 HG23 THR 45 -0.871 3.879 3.139 155 H THR 46 HN THR 46 -2.985 -0.013 0.540 156 HA THR 46 HA THR 46 -4.873 1.132 -1.255 157 HB THR 46 HB THR 46 -4.257 -1.792 -0.777 158 HG1 THR 46 HG1 THR 46 -2.836 0.207 -1.952 159 HG21 THR 46 HG21 THR 46 -5.108 -2.086 -3.076 160 HG22 THR 46 HG22 THR 46 -5.572 -0.385 -3.106 161 HG23 THR 46 HG23 THR 46 -6.352 -1.491 -1.976 162 H LEU 47 HN LEU 47 -5.153 -1.098 1.491 163 HA LEU 47 HA LEU 47 -7.872 -1.660 1.300 164 HB2 LEU 47 HB2 LEU 47 -6.220 -2.786 2.797 165 HB3 LEU 47 HB1 LEU 47 -6.270 -1.379 3.842 166 HG LEU 47 HG LEU 47 -8.845 -2.745 3.231 167 HD11 LEU 47 HD11 LEU 47 -7.350 -4.605 3.717 168 HD12 LEU 47 HD12 LEU 47 -8.479 -4.343 5.045 169 HD13 LEU 47 HD13 LEU 47 -6.808 -3.797 5.188 170 HD21 LEU 47 HD21 LEU 47 -8.837 -0.717 4.568 171 HD22 LEU 47 HD22 LEU 47 -7.682 -1.438 5.688 172 HD23 LEU 47 HD23 LEU 47 -9.311 -2.100 5.554 173 H PHE 48 HN PHE 48 -6.221 1.137 2.618 174 HA PHE 48 HA PHE 48 -8.567 2.229 3.867 175 HB2 PHE 48 HB2 PHE 48 -5.736 2.975 3.593 176 HB3 PHE 48 HB1 PHE 48 -6.846 4.342 3.626 177 HD1 PHE 48 HD1 PHE 48 -5.765 1.339 5.494 178 HD2 PHE 48 HD2 PHE 48 -7.837 5.052 5.626 179 HE1 PHE 48 HE1 PHE 48 -5.886 1.178 7.946 180 HE2 PHE 48 HE2 PHE 48 -7.962 4.900 8.078 181 HZ PHE 48 HZ PHE 48 -6.986 2.961 9.241 182 H CYS 49 HN CYS 49 -6.590 3.246 1.081 183 HA CYS 49 HA CYS 49 -8.260 5.292 0.199 184 HB2 CYS 49 HB2 CYS 49 -5.971 5.011 -0.608 185 HB3 CYS 49 HB1 CYS 49 -6.426 3.520 -1.427 186 HG CYS 49 HG CYS 49 -6.625 6.635 -2.493 187 H LEU 50 HN LEU 50 -8.618 1.870 -0.086 188 HA LEU 50 HA LEU 50 -10.335 1.840 -2.352 189 HB2 LEU 50 HB2 LEU 50 -9.036 -0.073 -0.964 190 HB3 LEU 50 HB1 LEU 50 -10.650 -0.276 -0.310 191 HG LEU 50 HG LEU 50 -11.447 -0.449 -2.722 192 HD11 LEU 50 HD11 LEU 50 -8.472 -0.548 -3.101 193 HD12 LEU 50 HD12 LEU 50 -9.659 0.444 -3.949 194 HD13 LEU 50 HD13 LEU 50 -9.588 -1.294 -4.247 195 HD21 LEU 50 HD21 LEU 50 -10.823 -2.803 -2.881 196 HD22 LEU 50 HD22 LEU 50 -11.263 -2.375 -1.227 197 HD23 LEU 50 HD23 LEU 50 -9.566 -2.558 -1.668 198 H LEU 51 HN LEU 51 -10.976 1.681 1.147 199 HA LEU 51 HA LEU 51 -13.802 1.664 0.868 200 HB2 LEU 51 HB2 LEU 51 -12.100 2.446 3.238 201 HB3 LEU 51 HB1 LEU 51 -13.825 2.133 3.288 202 HG LEU 51 HG LEU 51 -11.741 0.082 2.533 203 HD11 LEU 51 HD11 LEU 51 -11.512 0.749 4.867 204 HD12 LEU 51 HD12 LEU 51 -12.162 -0.885 4.735 205 HD13 LEU 51 HD13 LEU 51 -13.233 0.460 5.126 206 HD21 LEU 51 HD21 LEU 51 -13.567 -1.514 2.786 207 HD22 LEU 51 HD22 LEU 51 -13.945 -0.317 1.546 208 HD23 LEU 51 HD23 LEU 51 -14.682 -0.195 3.144 209 H HIS 52 HN HIS 52 -11.420 4.183 0.934 210 HA HIS 52 HA HIS 52 -13.374 6.266 1.450 211 HB2 HIS 52 HB2 HIS 52 -10.404 6.275 0.957 212 HB3 HIS 52 HB1 HIS 52 -11.338 7.767 0.994 213 HD1 HIS 52 HD1 HIS 52 -11.435 8.838 3.212 214 HD2 HIS 52 HD2 HIS 52 -10.830 4.739 3.513 215 HE1 HIS 52 HE1 HIS 52 -11.158 8.378 5.668 216 HE2 HIS 52 HE2 HIS 52 -10.690 5.907 5.816 217 H PHE 53 HN PHE 53 -12.624 4.462 -1.183 218 HA PHE 53 HA PHE 53 -12.836 6.653 -3.109 219 HB2 PHE 53 HB2 PHE 53 -11.175 4.733 -3.371 220 HB3 PHE 53 HB1 PHE 53 -12.562 3.718 -3.751 221 HD1 PHE 53 HD1 PHE 53 -10.353 6.355 -4.931 222 HD2 PHE 53 HD2 PHE 53 -13.839 4.073 -5.800 223 HE1 PHE 53 HE1 PHE 53 -10.234 7.073 -7.283 224 HE2 PHE 53 HE2 PHE 53 -13.725 4.786 -8.151 225 HZ PHE 53 HZ PHE 53 -11.905 6.297 -8.893 226 H GLY 54 HN GLY 54 -14.684 4.072 -1.716 227 HA2 GLY 54 HA2 GLY 54 -17.001 3.848 -1.733 228 HA3 GLY 54 HA1 GLY 54 -17.086 5.090 -2.971 229 H VAL 55 HN VAL 55 -14.975 2.346 -3.342 230 HA VAL 55 HA VAL 55 -16.115 1.638 -5.829 231 HB VAL 55 HB VAL 55 -14.692 -0.484 -5.527 232 HG11 VAL 55 HG11 VAL 55 -14.030 1.456 -6.875 233 HG12 VAL 55 HG12 VAL 55 -12.647 0.727 -6.059 234 HG13 VAL 55 HG13 VAL 55 -13.353 2.217 -5.435 235 HG21 VAL 55 HG21 VAL 55 -12.852 -0.119 -3.826 236 HG22 VAL 55 HG22 VAL 55 -14.422 -0.605 -3.193 237 HG23 VAL 55 HG23 VAL 55 -13.911 1.079 -3.084 238 H ILE 56 HN ILE 56 -17.005 0.844 -2.638 239 HA ILE 56 HA ILE 56 -18.230 -1.685 -3.261 240 HB ILE 56 HB ILE 56 -18.367 0.071 -0.816 241 HG12 ILE 56 HG12 ILE 56 -17.205 -1.940 0.200 242 HG13 ILE 56 HG11 ILE 56 -17.031 -2.568 -1.434 243 HG21 ILE 56 HG21 ILE 56 -20.491 -1.022 -0.952 244 HG22 ILE 56 HG22 ILE 56 -19.528 -1.848 0.272 245 HG23 ILE 56 HG23 ILE 56 -19.729 -2.568 -1.325 246 HD11 ILE 56 HD11 ILE 56 -15.004 -1.464 -0.648 247 HD12 ILE 56 HD12 ILE 56 -15.905 0.039 -0.437 248 HD13 ILE 56 HD13 ILE 56 -15.692 -0.644 -2.050 249 H GLY 57 HN GLY 57 -19.754 1.143 -1.803 250 HA2 GLY 57 HA2 GLY 57 -21.759 2.187 -2.220 251 HA3 GLY 57 HA1 GLY 57 -21.613 1.615 -3.875 252 HA PRO 58 HA PRO 58 -25.187 -0.526 -1.658 253 HB2 PRO 58 HB2 PRO 58 -27.082 0.121 -3.511 254 HB3 PRO 58 HB1 PRO 58 -26.730 1.111 -2.091 255 HG2 PRO 58 HG2 PRO 58 -25.798 1.449 -4.913 256 HG3 PRO 58 HG1 PRO 58 -26.363 2.677 -3.766 257 HD2 PRO 58 HD2 PRO 58 -23.742 2.277 -4.268 258 HD3 PRO 58 HD1 PRO 58 -24.334 2.767 -2.668 259 H GLN 59 HN GLN 59 -25.658 -2.597 -2.114 260 HA GLN 59 HA GLN 59 -24.801 -3.650 -4.708 261 HB2 GLN 59 HB2 GLN 59 -25.502 -5.118 -2.160 262 HB3 GLN 59 HB1 GLN 59 -24.841 -5.845 -3.619 263 HG2 GLN 59 HG2 GLN 59 -23.458 -3.818 -1.876 264 HG3 GLN 59 HG1 GLN 59 -23.137 -5.549 -1.908 265 HE21 GLN 59 HE21 GLN 59 -22.762 -2.529 -3.568 266 HE22 GLN 59 HE22 GLN 59 -21.609 -3.076 -4.734 267 H ARG 60 HN ARG 60 -27.190 -2.227 -4.757 268 HA ARG 60 HA ARG 60 -29.064 -4.367 -5.464 269 HB2 ARG 60 HB2 ARG 60 -29.732 -1.945 -3.785 270 HB3 ARG 60 HB1 ARG 60 -30.940 -2.979 -4.534 271 HG2 ARG 60 HG2 ARG 60 -30.218 -4.862 -3.219 272 HG3 ARG 60 HG1 ARG 60 -28.883 -3.922 -2.549 273 HD2 ARG 60 HD2 ARG 60 -31.801 -3.250 -2.199 274 HD3 ARG 60 HD1 ARG 60 -30.826 -4.122 -1.016 275 HE ARG 60 HE ARG 60 -29.395 -2.040 -1.011 276 HH11 ARG 60 HH11 ARG 60 -32.805 -1.968 -1.732 277 HH12 ARG 60 HH12 ARG 60 -33.013 -0.332 -1.200 278 HH21 ARG 60 HH21 ARG 60 -29.661 0.112 -0.311 279 HH22 ARG 60 HH22 ARG 60 -31.226 0.849 -0.394 Start of MODEL 13 1 H1 ARG 28 HT1 ARG 28 26.961 2.333 1.936 2 H2 ARG 28 HT2 ARG 28 26.545 0.897 2.726 3 H3 ARG 28 HT3 ARG 28 27.655 1.959 3.432 4 HA ARG 28 HA ARG 28 25.528 2.139 4.522 5 HB2 ARG 28 HB2 ARG 28 26.936 4.148 4.332 6 HB3 ARG 28 HB1 ARG 28 26.183 4.534 2.790 7 HG2 ARG 28 HG2 ARG 28 24.011 4.327 4.415 8 HG3 ARG 28 HG1 ARG 28 25.223 4.975 5.519 9 HD2 ARG 28 HD2 ARG 28 24.361 6.142 2.873 10 HD3 ARG 28 HD1 ARG 28 24.041 6.796 4.479 11 HE ARG 28 HE ARG 28 26.788 6.607 4.253 12 HH11 ARG 28 HH11 ARG 28 24.197 8.285 2.631 13 HH12 ARG 28 HH12 ARG 28 25.181 9.640 2.187 14 HH21 ARG 28 HH21 ARG 28 28.089 8.388 3.673 15 HH22 ARG 28 HH22 ARG 28 27.394 9.698 2.777 16 H ARG 29 HN ARG 29 23.561 1.317 4.153 17 HA ARG 29 HA ARG 29 22.291 1.150 1.672 18 HB2 ARG 29 HB2 ARG 29 21.107 1.167 4.456 19 HB3 ARG 29 HB1 ARG 29 20.207 0.749 3.003 20 HG2 ARG 29 HG2 ARG 29 21.566 -1.174 2.623 21 HG3 ARG 29 HG1 ARG 29 22.683 -0.701 3.905 22 HD2 ARG 29 HD2 ARG 29 19.776 -1.383 4.322 23 HD3 ARG 29 HD1 ARG 29 21.113 -2.504 4.569 24 HE ARG 29 HE ARG 29 21.530 -0.145 6.067 25 HH11 ARG 29 HH11 ARG 29 19.571 -3.030 6.009 26 HH12 ARG 29 HH12 ARG 29 19.347 -3.065 7.726 27 HH21 ARG 29 HH21 ARG 29 21.241 -0.188 8.328 28 HH22 ARG 29 HH22 ARG 29 20.295 -1.450 9.044 29 H CYS 30 HN CYS 30 21.470 2.692 0.431 30 HA CYS 30 HA CYS 30 20.936 5.301 1.626 31 HB2 CYS 30 HB2 CYS 30 21.269 4.520 -1.275 32 HB3 CYS 30 HB1 CYS 30 21.058 6.162 -0.678 33 HG CYS 30 HG CYS 30 23.578 6.588 -0.561 34 H LEU 31 HN LEU 31 19.403 6.064 -0.788 35 HA LEU 31 HA LEU 31 16.858 6.058 0.198 36 HB2 LEU 31 HB2 LEU 31 17.852 6.202 -2.636 37 HB3 LEU 31 HB1 LEU 31 16.158 6.393 -2.237 38 HG LEU 31 HG LEU 31 17.203 8.563 -2.527 39 HD11 LEU 31 HD11 LEU 31 15.411 8.390 -0.894 40 HD12 LEU 31 HD12 LEU 31 16.602 9.591 -0.393 41 HD13 LEU 31 HD13 LEU 31 16.581 7.999 0.367 42 HD21 LEU 31 HD21 LEU 31 19.021 7.843 -0.229 43 HD22 LEU 31 HD22 LEU 31 18.997 9.356 -1.135 44 HD23 LEU 31 HD23 LEU 31 19.506 7.863 -1.924 45 H PHE 32 HN PHE 32 18.473 3.403 -1.292 46 HA PHE 32 HA PHE 32 16.322 1.962 -2.336 47 HB2 PHE 32 HB2 PHE 32 18.710 1.348 -2.638 48 HB3 PHE 32 HB1 PHE 32 18.767 0.838 -0.954 49 HD1 PHE 32 HD1 PHE 32 17.086 0.157 -4.190 50 HD2 PHE 32 HD2 PHE 32 18.149 -1.323 -0.345 51 HE1 PHE 32 HE1 PHE 32 16.329 -2.089 -4.850 52 HE2 PHE 32 HE2 PHE 32 17.395 -3.573 -0.998 53 HZ PHE 32 HZ PHE 32 16.473 -3.952 -3.256 54 H LEU 33 HN LEU 33 17.100 2.749 0.868 55 HA LEU 33 HA LEU 33 15.935 0.586 2.259 56 HB2 LEU 33 HB2 LEU 33 17.392 2.810 2.932 57 HB3 LEU 33 HB1 LEU 33 15.800 3.220 3.549 58 HG LEU 33 HG LEU 33 15.800 1.055 4.810 59 HD11 LEU 33 HD11 LEU 33 17.981 -0.039 5.150 60 HD12 LEU 33 HD12 LEU 33 18.668 0.989 3.893 61 HD13 LEU 33 HD13 LEU 33 17.405 -0.173 3.488 62 HD21 LEU 33 HD21 LEU 33 17.339 1.841 6.551 63 HD22 LEU 33 HD22 LEU 33 16.349 3.152 5.909 64 HD23 LEU 33 HD23 LEU 33 18.032 2.993 5.409 65 H SER 34 HN SER 34 14.634 3.527 0.871 66 HA SER 34 HA SER 34 12.083 3.287 2.181 67 HB2 SER 34 HB2 SER 34 11.422 5.194 0.785 68 HB3 SER 34 HB1 SER 34 12.980 5.491 1.557 69 HG SER 34 HG SER 34 13.357 4.287 -0.809 70 H LEU 35 HN LEU 35 13.306 2.720 -1.109 71 HA LEU 35 HA LEU 35 10.850 2.003 -2.274 72 HB2 LEU 35 HB2 LEU 35 13.376 0.682 -3.154 73 HB3 LEU 35 HB1 LEU 35 12.061 1.325 -4.117 74 HG LEU 35 HG LEU 35 13.775 3.219 -2.577 75 HD11 LEU 35 HD11 LEU 35 15.187 1.501 -3.820 76 HD12 LEU 35 HD12 LEU 35 15.488 3.207 -4.169 77 HD13 LEU 35 HD13 LEU 35 14.550 2.226 -5.297 78 HD21 LEU 35 HD21 LEU 35 11.755 3.975 -3.794 79 HD22 LEU 35 HD22 LEU 35 12.469 3.377 -5.293 80 HD23 LEU 35 HD23 LEU 35 13.242 4.695 -4.412 81 H PHE 36 HN PHE 36 13.418 -0.000 -0.880 82 HA PHE 36 HA PHE 36 12.173 -2.483 -1.304 83 HB2 PHE 36 HB2 PHE 36 14.611 -2.003 -0.737 84 HB3 PHE 36 HB1 PHE 36 14.089 -1.854 0.940 85 HD1 PHE 36 HD1 PHE 36 14.356 -4.177 -1.913 86 HD2 PHE 36 HD2 PHE 36 13.641 -3.763 2.262 87 HE1 PHE 36 HE1 PHE 36 14.542 -6.615 -1.643 88 HE2 PHE 36 HE2 PHE 36 13.827 -6.201 2.539 89 HZ PHE 36 HZ PHE 36 14.278 -7.631 0.586 90 H SER 37 HN SER 37 11.279 0.017 0.725 91 HA SER 37 HA SER 37 9.793 -1.825 2.482 92 HB2 SER 37 HB2 SER 37 9.770 -0.016 4.167 93 HB3 SER 37 HB1 SER 37 11.415 -0.493 3.747 94 HG SER 37 HG SER 37 11.130 1.790 3.802 95 H PHE 38 HN PHE 38 9.509 0.237 -0.071 96 HA PHE 38 HA PHE 38 6.984 1.452 0.639 97 HB2 PHE 38 HB2 PHE 38 8.590 2.648 -0.798 98 HB3 PHE 38 HB1 PHE 38 8.448 1.380 -2.012 99 HD1 PHE 38 HD1 PHE 38 6.646 1.342 -3.542 100 HD2 PHE 38 HD2 PHE 38 6.644 4.111 -0.310 101 HE1 PHE 38 HE1 PHE 38 4.755 2.536 -4.570 102 HE2 PHE 38 HE2 PHE 38 4.754 5.309 -1.332 103 HZ PHE 38 HZ PHE 38 3.815 4.534 -3.466 104 H LEU 39 HN LEU 39 8.132 -1.186 -1.413 105 HA LEU 39 HA LEU 39 5.697 -1.799 -2.665 106 HB2 LEU 39 HB2 LEU 39 8.178 -3.362 -2.059 107 HB3 LEU 39 HB1 LEU 39 6.781 -4.178 -2.736 108 HG LEU 39 HG LEU 39 6.901 -2.348 -4.572 109 HD11 LEU 39 HD11 LEU 39 8.437 -0.821 -3.752 110 HD12 LEU 39 HD12 LEU 39 9.401 -1.768 -4.888 111 HD13 LEU 39 HD13 LEU 39 9.514 -2.082 -3.154 112 HD21 LEU 39 HD21 LEU 39 9.007 -4.500 -4.376 113 HD22 LEU 39 HD22 LEU 39 8.472 -3.705 -5.857 114 HD23 LEU 39 HD23 LEU 39 7.354 -4.722 -4.949 115 H ILE 40 HN ILE 40 6.669 -2.139 0.561 116 HA ILE 40 HA ILE 40 4.935 -4.355 1.206 117 HB ILE 40 HB ILE 40 6.544 -2.478 2.947 118 HG12 ILE 40 HG12 ILE 40 7.893 -4.500 3.392 119 HG13 ILE 40 HG11 ILE 40 6.883 -5.411 2.277 120 HG21 ILE 40 HG21 ILE 40 4.496 -3.246 4.101 121 HG22 ILE 40 HG22 ILE 40 5.973 -3.869 4.835 122 HG23 ILE 40 HG23 ILE 40 4.992 -4.914 3.808 123 HD11 ILE 40 HD11 ILE 40 9.064 -4.713 1.340 124 HD12 ILE 40 HD12 ILE 40 8.555 -3.033 1.503 125 HD13 ILE 40 HD13 ILE 40 7.680 -4.119 0.423 126 H VAL 41 HN VAL 41 4.992 -0.849 1.815 127 HA VAL 41 HA VAL 41 2.462 -0.831 3.142 128 HB VAL 41 HB VAL 41 4.288 0.906 3.424 129 HG11 VAL 41 HG11 VAL 41 4.281 2.797 1.869 130 HG12 VAL 41 HG12 VAL 41 3.151 1.932 0.826 131 HG13 VAL 41 HG13 VAL 41 4.781 1.302 1.078 132 HG21 VAL 41 HG21 VAL 41 2.695 2.750 3.745 133 HG22 VAL 41 HG22 VAL 41 2.060 1.217 4.345 134 HG23 VAL 41 HG23 VAL 41 1.494 1.863 2.805 135 H ALA 42 HN ALA 42 3.479 -0.761 -0.143 136 HA ALA 42 HA ALA 42 1.453 0.612 -1.425 137 HB1 ALA 42 HB1 ALA 42 1.934 -0.769 -3.379 138 HB2 ALA 42 HB2 ALA 42 2.812 -1.912 -2.362 139 HB3 ALA 42 HB3 ALA 42 3.422 -0.271 -2.573 140 H GLY 43 HN GLY 43 1.418 -2.584 0.002 141 HA2 GLY 43 HA2 GLY 43 -1.158 -3.269 -1.124 142 HA3 GLY 43 HA1 GLY 43 -0.239 -4.215 0.038 143 H ALA 44 HN ALA 44 0.037 -1.747 1.745 144 HA ALA 44 HA ALA 44 -2.357 -2.177 3.286 145 HB1 ALA 44 HB1 ALA 44 -0.177 -1.955 4.379 146 HB2 ALA 44 HB2 ALA 44 -1.311 -0.726 4.941 147 HB3 ALA 44 HB3 ALA 44 -0.049 -0.300 3.784 148 H THR 45 HN THR 45 -1.119 0.261 1.124 149 HA THR 45 HA THR 45 -2.743 2.424 1.883 150 HB THR 45 HB THR 45 -2.339 3.312 -0.388 151 HG1 THR 45 HG1 THR 45 -2.235 1.700 -1.804 152 HG21 THR 45 HG21 THR 45 0.123 2.068 0.844 153 HG22 THR 45 HG22 THR 45 -0.631 3.573 1.369 154 HG23 THR 45 HG23 THR 45 0.085 3.460 -0.237 155 H THR 46 HN THR 46 -3.410 -0.444 0.050 156 HA THR 46 HA THR 46 -5.683 0.408 -1.363 157 HB THR 46 HB THR 46 -5.091 -2.362 -0.299 158 HG1 THR 46 HG1 THR 46 -3.446 -1.862 -1.667 159 HG21 THR 46 HG21 THR 46 -6.897 -1.470 -2.551 160 HG22 THR 46 HG22 THR 46 -7.433 -2.066 -0.980 161 HG23 THR 46 HG23 THR 46 -6.569 -3.138 -2.081 162 H LEU 47 HN LEU 47 -5.274 -0.842 1.908 163 HA LEU 47 HA LEU 47 -7.982 -1.205 2.547 164 HB2 LEU 47 HB2 LEU 47 -5.894 -1.948 3.831 165 HB3 LEU 47 HB1 LEU 47 -5.865 -0.330 4.502 166 HG LEU 47 HG LEU 47 -8.280 -2.108 4.769 167 HD11 LEU 47 HD11 LEU 47 -5.934 -1.900 6.652 168 HD12 LEU 47 HD12 LEU 47 -6.378 -3.315 5.696 169 HD13 LEU 47 HD13 LEU 47 -7.449 -2.745 6.977 170 HD21 LEU 47 HD21 LEU 47 -7.273 0.295 6.288 171 HD22 LEU 47 HD22 LEU 47 -8.671 -0.674 6.753 172 HD23 LEU 47 HD23 LEU 47 -8.686 0.220 5.236 173 H PHE 48 HN PHE 48 -5.852 1.604 2.939 174 HA PHE 48 HA PHE 48 -7.712 3.278 4.220 175 HB2 PHE 48 HB2 PHE 48 -5.283 3.883 2.537 176 HB3 PHE 48 HB1 PHE 48 -6.222 5.137 3.339 177 HD1 PHE 48 HD1 PHE 48 -3.756 2.525 3.735 178 HD2 PHE 48 HD2 PHE 48 -6.331 5.203 5.810 179 HE1 PHE 48 HE1 PHE 48 -2.452 2.178 5.793 180 HE2 PHE 48 HE2 PHE 48 -5.033 4.862 7.871 181 HZ PHE 48 HZ PHE 48 -3.089 3.348 7.865 182 H CYS 49 HN CYS 49 -6.722 3.217 0.792 183 HA CYS 49 HA CYS 49 -8.626 5.097 -0.081 184 HB2 CYS 49 HB2 CYS 49 -7.257 2.898 -1.643 185 HB3 CYS 49 HB1 CYS 49 -8.115 4.264 -2.348 186 HG CYS 49 HG CYS 49 -5.592 5.056 -2.722 187 H LEU 50 HN LEU 50 -8.891 1.733 0.646 188 HA LEU 50 HA LEU 50 -11.006 0.932 -0.958 189 HB2 LEU 50 HB2 LEU 50 -9.567 -0.278 0.942 190 HB3 LEU 50 HB1 LEU 50 -11.017 0.046 1.876 191 HG LEU 50 HG LEU 50 -12.283 -1.108 -0.039 192 HD11 LEU 50 HD11 LEU 50 -9.443 -1.873 -0.656 193 HD12 LEU 50 HD12 LEU 50 -10.641 -1.158 -1.737 194 HD13 LEU 50 HD13 LEU 50 -10.830 -2.825 -1.190 195 HD21 LEU 50 HD21 LEU 50 -11.975 -2.088 2.179 196 HD22 LEU 50 HD22 LEU 50 -10.396 -2.704 1.692 197 HD23 LEU 50 HD23 LEU 50 -11.857 -3.315 0.918 198 H LEU 51 HN LEU 51 -11.074 2.640 2.140 199 HA LEU 51 HA LEU 51 -13.946 2.701 2.246 200 HB2 LEU 51 HB2 LEU 51 -11.957 4.314 3.844 201 HB3 LEU 51 HB1 LEU 51 -13.650 4.074 4.226 202 HG LEU 51 HG LEU 51 -11.565 1.890 4.191 203 HD11 LEU 51 HD11 LEU 51 -11.187 3.481 6.003 204 HD12 LEU 51 HD12 LEU 51 -11.761 1.933 6.620 205 HD13 LEU 51 HD13 LEU 51 -12.865 3.303 6.515 206 HD21 LEU 51 HD21 LEU 51 -13.304 0.549 5.278 207 HD22 LEU 51 HD22 LEU 51 -13.798 1.071 3.668 208 HD23 LEU 51 HD23 LEU 51 -14.443 1.882 5.095 209 H HIS 52 HN HIS 52 -11.445 4.686 0.926 210 HA HIS 52 HA HIS 52 -12.813 7.152 0.845 211 HB2 HIS 52 HB2 HIS 52 -10.362 6.871 0.490 212 HB3 HIS 52 HB1 HIS 52 -10.705 6.146 -1.078 213 HD1 HIS 52 HD1 HIS 52 -10.472 9.403 0.670 214 HD2 HIS 52 HD2 HIS 52 -11.670 7.965 -3.040 215 HE1 HIS 52 HE1 HIS 52 -10.648 11.427 -0.811 216 HE2 HIS 52 HE2 HIS 52 -11.448 10.542 -3.030 217 H PHE 53 HN PHE 53 -12.644 4.449 -1.434 218 HA PHE 53 HA PHE 53 -14.510 5.812 -3.223 219 HB2 PHE 53 HB2 PHE 53 -12.926 3.259 -3.519 220 HB3 PHE 53 HB1 PHE 53 -14.091 3.824 -4.713 221 HD1 PHE 53 HD1 PHE 53 -13.604 5.693 -6.138 222 HD2 PHE 53 HD2 PHE 53 -10.827 4.440 -3.168 223 HE1 PHE 53 HE1 PHE 53 -11.860 7.072 -7.193 224 HE2 PHE 53 HE2 PHE 53 -9.077 5.815 -4.217 225 HZ PHE 53 HZ PHE 53 -9.594 7.134 -6.233 226 H GLY 54 HN GLY 54 -14.510 3.517 -0.716 227 HA2 GLY 54 HA2 GLY 54 -16.204 2.293 0.235 228 HA3 GLY 54 HA1 GLY 54 -17.320 3.226 -0.751 229 H VAL 55 HN VAL 55 -14.767 1.353 -2.198 230 HA VAL 55 HA VAL 55 -16.383 0.011 -3.997 231 HB VAL 55 HB VAL 55 -14.475 -1.629 -4.207 232 HG11 VAL 55 HG11 VAL 55 -14.592 0.360 -5.587 233 HG12 VAL 55 HG12 VAL 55 -12.920 0.048 -5.121 234 HG13 VAL 55 HG13 VAL 55 -13.838 1.317 -4.311 235 HG21 VAL 55 HG21 VAL 55 -13.176 0.165 -2.159 236 HG22 VAL 55 HG22 VAL 55 -12.432 -1.198 -2.995 237 HG23 VAL 55 HG23 VAL 55 -13.742 -1.475 -1.848 238 H ILE 56 HN ILE 56 -15.545 -0.856 -0.703 239 HA ILE 56 HA ILE 56 -17.122 -3.327 -0.986 240 HB ILE 56 HB ILE 56 -15.134 -2.664 1.187 241 HG12 ILE 56 HG12 ILE 56 -14.006 -2.943 -0.970 242 HG13 ILE 56 HG11 ILE 56 -13.656 -4.299 0.095 243 HG21 ILE 56 HG21 ILE 56 -15.326 -5.054 1.745 244 HG22 ILE 56 HG22 ILE 56 -16.591 -5.220 0.528 245 HG23 ILE 56 HG23 ILE 56 -16.852 -4.193 1.938 246 HD11 ILE 56 HD11 ILE 56 -15.646 -4.298 -2.163 247 HD12 ILE 56 HD12 ILE 56 -15.293 -5.658 -1.097 248 HD13 ILE 56 HD13 ILE 56 -14.048 -5.040 -2.181 249 H GLY 57 HN GLY 57 -16.903 -0.273 0.587 250 HA2 GLY 57 HA2 GLY 57 -18.475 0.856 1.843 251 HA3 GLY 57 HA1 GLY 57 -19.556 -0.512 1.628 252 HA PRO 58 HA PRO 58 -18.252 -0.562 6.053 253 HB2 PRO 58 HB2 PRO 58 -20.685 -0.708 7.160 254 HB3 PRO 58 HB1 PRO 58 -20.027 0.831 6.588 255 HG2 PRO 58 HG2 PRO 58 -21.996 -0.997 5.268 256 HG3 PRO 58 HG1 PRO 58 -22.017 0.771 5.385 257 HD2 PRO 58 HD2 PRO 58 -21.153 -0.618 3.177 258 HD3 PRO 58 HD1 PRO 58 -20.619 1.023 3.590 259 H GLN 59 HN GLN 59 -19.221 -2.712 3.871 260 HA GLN 59 HA GLN 59 -20.245 -4.836 5.490 261 HB2 GLN 59 HB2 GLN 59 -18.998 -4.954 2.737 262 HB3 GLN 59 HB1 GLN 59 -19.957 -6.219 3.494 263 HG2 GLN 59 HG2 GLN 59 -20.960 -3.470 2.792 264 HG3 GLN 59 HG1 GLN 59 -21.220 -4.927 1.833 265 HE21 GLN 59 HE21 GLN 59 -22.642 -6.495 2.571 266 HE22 GLN 59 HE22 GLN 59 -23.782 -6.188 3.833 267 H ARG 60 HN ARG 60 -17.214 -3.487 5.239 268 HA ARG 60 HA ARG 60 -16.014 -5.679 6.675 269 HB2 ARG 60 HB2 ARG 60 -15.763 -6.101 4.121 270 HB3 ARG 60 HB1 ARG 60 -14.568 -4.815 4.188 271 HG2 ARG 60 HG2 ARG 60 -14.419 -7.207 5.992 272 HG3 ARG 60 HG1 ARG 60 -13.738 -7.215 4.365 273 HD2 ARG 60 HD2 ARG 60 -12.295 -5.354 4.924 274 HD3 ARG 60 HD1 ARG 60 -13.031 -5.226 6.519 275 HE ARG 60 HE ARG 60 -12.109 -7.767 6.470 276 HH11 ARG 60 HH11 ARG 60 -10.637 -4.680 5.799 277 HH12 ARG 60 HH12 ARG 60 -9.060 -5.176 6.316 278 HH21 ARG 60 HH21 ARG 60 -10.040 -8.425 7.158 279 HH22 ARG 60 HH22 ARG 60 -8.721 -7.305 7.089 Start of MODEL 14 1 H1 ARG 28 HT1 ARG 28 26.320 -4.599 -1.094 2 H2 ARG 28 HT2 ARG 28 25.498 -3.773 -2.320 3 H3 ARG 28 HT3 ARG 28 24.677 -4.903 -1.367 4 HA ARG 28 HA ARG 28 24.925 -3.544 0.575 5 HB2 ARG 28 HB2 ARG 28 27.087 -2.545 -0.023 6 HB3 ARG 28 HB1 ARG 28 26.316 -1.626 -1.307 7 HG2 ARG 28 HG2 ARG 28 25.153 -1.247 1.363 8 HG3 ARG 28 HG1 ARG 28 26.811 -0.676 1.172 9 HD2 ARG 28 HD2 ARG 28 26.099 0.619 -0.810 10 HD3 ARG 28 HD1 ARG 28 24.437 0.098 -0.530 11 HE ARG 28 HE ARG 28 25.150 1.231 1.826 12 HH11 ARG 28 HH11 ARG 28 25.255 2.308 -1.486 13 HH12 ARG 28 HH12 ARG 28 25.033 3.978 -1.084 14 HH21 ARG 28 HH21 ARG 28 24.859 3.425 2.364 15 HH22 ARG 28 HH22 ARG 28 24.807 4.613 1.104 16 H ARG 29 HN ARG 29 22.812 -3.188 0.790 17 HA ARG 29 HA ARG 29 21.085 -2.355 -1.246 18 HB2 ARG 29 HB2 ARG 29 20.729 -2.066 1.745 19 HB3 ARG 29 HB1 ARG 29 19.445 -1.954 0.547 20 HG2 ARG 29 HG2 ARG 29 19.818 -4.278 -0.082 21 HG3 ARG 29 HG1 ARG 29 21.123 -4.394 1.101 22 HD2 ARG 29 HD2 ARG 29 19.526 -3.904 2.895 23 HD3 ARG 29 HD1 ARG 29 18.227 -3.805 1.708 24 HE ARG 29 HE ARG 29 19.355 -6.283 1.350 25 HH11 ARG 29 HH11 ARG 29 17.850 -4.570 3.986 26 HH12 ARG 29 HH12 ARG 29 17.237 -6.005 4.736 27 HH21 ARG 29 HH21 ARG 29 18.546 -8.176 2.330 28 HH22 ARG 29 HH22 ARG 29 17.631 -8.054 3.795 29 H CYS 30 HN CYS 30 20.905 -0.459 -2.208 30 HA CYS 30 HA CYS 30 22.015 1.905 -0.897 31 HB2 CYS 30 HB2 CYS 30 21.244 1.412 -3.780 32 HB3 CYS 30 HB1 CYS 30 21.910 2.922 -3.168 33 HG CYS 30 HG CYS 30 23.461 0.013 -3.842 34 H LEU 31 HN LEU 31 20.464 3.629 -2.768 35 HA LEU 31 HA LEU 31 18.485 4.518 -1.071 36 HB2 LEU 31 HB2 LEU 31 18.812 4.793 -4.048 37 HB3 LEU 31 HB1 LEU 31 17.498 5.571 -3.188 38 HG LEU 31 HG LEU 31 19.322 7.134 -3.572 39 HD11 LEU 31 HD11 LEU 31 19.091 6.353 -0.670 40 HD12 LEU 31 HD12 LEU 31 17.980 7.399 -1.556 41 HD13 LEU 31 HD13 LEU 31 19.646 7.911 -1.284 42 HD21 LEU 31 HD21 LEU 31 21.503 6.836 -2.542 43 HD22 LEU 31 HD22 LEU 31 21.162 5.513 -3.657 44 HD23 LEU 31 HD23 LEU 31 21.014 5.259 -1.918 45 H PHE 32 HN PHE 32 18.378 1.840 -3.249 46 HA PHE 32 HA PHE 32 15.620 1.623 -3.684 47 HB2 PHE 32 HB2 PHE 32 17.692 -0.569 -3.424 48 HB3 PHE 32 HB1 PHE 32 16.069 -0.790 -4.068 49 HD1 PHE 32 HD1 PHE 32 15.422 0.420 -6.168 50 HD2 PHE 32 HD2 PHE 32 19.438 0.237 -4.771 51 HE1 PHE 32 HE1 PHE 32 16.225 1.033 -8.410 52 HE2 PHE 32 HE2 PHE 32 20.248 0.851 -7.010 53 HZ PHE 32 HZ PHE 32 18.642 1.251 -8.834 54 H LEU 33 HN LEU 33 17.463 1.239 -0.868 55 HA LEU 33 HA LEU 33 16.172 -0.658 0.645 56 HB2 LEU 33 HB2 LEU 33 18.201 0.847 1.179 57 HB3 LEU 33 HB1 LEU 33 17.018 1.986 1.792 58 HG LEU 33 HG LEU 33 16.204 0.038 3.275 59 HD11 LEU 33 HD11 LEU 33 17.956 -1.597 3.815 60 HD12 LEU 33 HD12 LEU 33 18.940 -0.962 2.496 61 HD13 LEU 33 HD13 LEU 33 17.397 -1.746 2.149 62 HD21 LEU 33 HD21 LEU 33 17.893 0.565 4.968 63 HD22 LEU 33 HD22 LEU 33 17.342 2.014 4.130 64 HD23 LEU 33 HD23 LEU 33 18.905 1.304 3.727 65 H SER 34 HN SER 34 15.372 2.805 0.435 66 HA SER 34 HA SER 34 13.102 2.680 2.102 67 HB2 SER 34 HB2 SER 34 14.250 4.787 1.630 68 HB3 SER 34 HB1 SER 34 13.791 4.674 -0.068 69 HG SER 34 HG SER 34 11.797 4.591 1.904 70 H LEU 35 HN LEU 35 13.490 2.362 -1.394 71 HA LEU 35 HA LEU 35 10.760 2.414 -2.074 72 HB2 LEU 35 HB2 LEU 35 12.534 2.677 -3.726 73 HB3 LEU 35 HB1 LEU 35 13.064 1.027 -3.451 74 HG LEU 35 HG LEU 35 10.649 0.395 -4.190 75 HD11 LEU 35 HD11 LEU 35 9.788 2.688 -4.217 76 HD12 LEU 35 HD12 LEU 35 9.685 1.932 -5.806 77 HD13 LEU 35 HD13 LEU 35 10.956 3.108 -5.469 78 HD21 LEU 35 HD21 LEU 35 12.476 1.442 -6.323 79 HD22 LEU 35 HD22 LEU 35 11.461 -0.002 -6.343 80 HD23 LEU 35 HD23 LEU 35 12.906 0.050 -5.330 81 H PHE 36 HN PHE 36 12.920 -0.264 -1.247 82 HA PHE 36 HA PHE 36 11.015 -2.317 -1.692 83 HB2 PHE 36 HB2 PHE 36 13.500 -2.639 -1.630 84 HB3 PHE 36 HB1 PHE 36 13.441 -2.405 0.113 85 HD1 PHE 36 HD1 PHE 36 12.154 -4.558 -2.619 86 HD2 PHE 36 HD2 PHE 36 13.005 -4.195 1.535 87 HE1 PHE 36 HE1 PHE 36 11.701 -6.958 -2.321 88 HE2 PHE 36 HE2 PHE 36 12.554 -6.594 1.840 89 HZ PHE 36 HZ PHE 36 11.901 -7.979 -0.089 90 H SER 37 HN SER 37 11.345 -0.003 0.748 91 HA SER 37 HA SER 37 9.982 -1.626 2.760 92 HB2 SER 37 HB2 SER 37 11.876 -0.276 3.522 93 HB3 SER 37 HB1 SER 37 11.093 1.185 2.921 94 HG SER 37 HG SER 37 10.079 1.273 4.745 95 H PHE 38 HN PHE 38 9.436 1.058 0.590 96 HA PHE 38 HA PHE 38 6.879 1.737 1.756 97 HB2 PHE 38 HB2 PHE 38 8.325 3.456 0.697 98 HB3 PHE 38 HB1 PHE 38 8.112 2.651 -0.853 99 HD1 PHE 38 HD1 PHE 38 6.232 3.075 -2.192 100 HD2 PHE 38 HD2 PHE 38 6.314 4.443 1.838 101 HE1 PHE 38 HE1 PHE 38 4.199 4.400 -2.603 102 HE2 PHE 38 HE2 PHE 38 4.282 5.771 1.433 103 HZ PHE 38 HZ PHE 38 3.231 5.762 -0.794 104 H LEU 39 HN LEU 39 8.104 -0.299 -0.770 105 HA LEU 39 HA LEU 39 5.719 -0.589 -2.265 106 HB2 LEU 39 HB2 LEU 39 8.366 -1.693 -2.264 107 HB3 LEU 39 HB1 LEU 39 7.197 -2.993 -2.431 108 HG LEU 39 HG LEU 39 6.181 -1.535 -4.309 109 HD11 LEU 39 HD11 LEU 39 7.228 0.517 -4.077 110 HD12 LEU 39 HD12 LEU 39 8.123 -0.226 -5.405 111 HD13 LEU 39 HD13 LEU 39 8.803 -0.215 -3.775 112 HD21 LEU 39 HD21 LEU 39 7.720 -2.494 -5.941 113 HD22 LEU 39 HD22 LEU 39 7.344 -3.661 -4.673 114 HD23 LEU 39 HD23 LEU 39 8.892 -2.815 -4.663 115 H ILE 40 HN ILE 40 6.765 -1.853 0.752 116 HA ILE 40 HA ILE 40 5.016 -4.133 0.778 117 HB ILE 40 HB ILE 40 6.417 -2.776 3.085 118 HG12 ILE 40 HG12 ILE 40 7.242 -5.250 1.556 119 HG13 ILE 40 HG11 ILE 40 7.913 -3.649 1.260 120 HG21 ILE 40 HG21 ILE 40 6.066 -4.893 4.259 121 HG22 ILE 40 HG22 ILE 40 5.174 -5.514 2.871 122 HG23 ILE 40 HG23 ILE 40 4.533 -4.154 3.794 123 HD11 ILE 40 HD11 ILE 40 8.087 -5.180 3.845 124 HD12 ILE 40 HD12 ILE 40 8.774 -3.586 3.537 125 HD13 ILE 40 HD13 ILE 40 9.379 -4.991 2.660 126 H VAL 41 HN VAL 41 5.041 -0.981 2.439 127 HA VAL 41 HA VAL 41 2.511 -1.317 3.660 128 HB VAL 41 HB VAL 41 4.307 0.341 4.341 129 HG11 VAL 41 HG11 VAL 41 4.300 2.528 3.303 130 HG12 VAL 41 HG12 VAL 41 3.082 2.000 2.142 131 HG13 VAL 41 HG13 VAL 41 4.698 1.291 2.110 132 HG21 VAL 41 HG21 VAL 41 2.070 0.340 5.317 133 HG22 VAL 41 HG22 VAL 41 1.494 1.379 4.013 134 HG23 VAL 41 HG23 VAL 41 2.693 1.982 5.157 135 H ALA 42 HN ALA 42 3.481 -0.427 0.482 136 HA ALA 42 HA ALA 42 1.401 1.162 -0.413 137 HB1 ALA 42 HB1 ALA 42 1.902 0.333 -2.646 138 HB2 ALA 42 HB2 ALA 42 2.801 -1.020 -1.957 139 HB3 ALA 42 HB3 ALA 42 3.390 0.629 -1.746 140 H GLY 43 HN GLY 43 1.461 -2.280 0.214 141 HA2 GLY 43 HA2 GLY 43 -1.040 -2.827 -1.088 142 HA3 GLY 43 HA1 GLY 43 -0.157 -3.912 -0.023 143 H ALA 44 HN ALA 44 -0.017 -2.073 2.192 144 HA ALA 44 HA ALA 44 -2.520 -2.669 3.415 145 HB1 ALA 44 HB1 ALA 44 -0.426 -2.642 4.681 146 HB2 ALA 44 HB2 ALA 44 -1.611 -1.532 5.371 147 HB3 ALA 44 HB3 ALA 44 -0.278 -0.907 4.399 148 H THR 45 HN THR 45 -1.058 0.241 2.072 149 HA THR 45 HA THR 45 -2.935 2.106 3.009 150 HB THR 45 HB THR 45 -2.179 3.550 1.140 151 HG1 THR 45 HG1 THR 45 -1.624 2.391 -0.568 152 HG21 THR 45 HG21 THR 45 -0.882 3.502 3.193 153 HG22 THR 45 HG22 THR 45 0.195 3.657 1.805 154 HG23 THR 45 HG23 THR 45 0.021 2.101 2.616 155 H THR 46 HN THR 46 -3.098 -0.257 0.502 156 HA THR 46 HA THR 46 -5.075 0.869 -1.143 157 HB THR 46 HB THR 46 -4.598 -2.056 -0.538 158 HG1 THR 46 HG1 THR 46 -2.852 -0.619 -1.493 159 HG21 THR 46 HG21 THR 46 -6.005 -0.729 -2.860 160 HG22 THR 46 HG22 THR 46 -6.773 -1.678 -1.586 161 HG23 THR 46 HG23 THR 46 -5.663 -2.454 -2.716 162 H LEU 47 HN LEU 47 -5.270 -0.926 1.872 163 HA LEU 47 HA LEU 47 -8.046 -1.408 1.856 164 HB2 LEU 47 HB2 LEU 47 -5.992 -1.234 4.042 165 HB3 LEU 47 HB1 LEU 47 -7.682 -1.507 4.406 166 HG LEU 47 HG LEU 47 -6.483 -3.609 4.403 167 HD11 LEU 47 HD11 LEU 47 -8.789 -3.645 3.639 168 HD12 LEU 47 HD12 LEU 47 -7.829 -4.852 2.784 169 HD13 LEU 47 HD13 LEU 47 -8.261 -3.341 1.985 170 HD21 LEU 47 HD21 LEU 47 -5.780 -3.009 1.533 171 HD22 LEU 47 HD22 LEU 47 -5.392 -4.481 2.424 172 HD23 LEU 47 HD23 LEU 47 -4.661 -2.946 2.894 173 H PHE 48 HN PHE 48 -6.097 1.249 3.133 174 HA PHE 48 HA PHE 48 -8.216 2.644 4.373 175 HB2 PHE 48 HB2 PHE 48 -5.481 3.458 3.414 176 HB3 PHE 48 HB1 PHE 48 -6.592 4.632 4.114 177 HD1 PHE 48 HD1 PHE 48 -4.465 1.738 4.760 178 HD2 PHE 48 HD2 PHE 48 -7.159 4.556 6.465 179 HE1 PHE 48 HE1 PHE 48 -3.721 1.080 7.010 180 HE2 PHE 48 HE2 PHE 48 -6.418 3.906 8.719 181 HZ PHE 48 HZ PHE 48 -4.697 2.175 8.997 182 H CYS 49 HN CYS 49 -6.677 3.015 1.193 183 HA CYS 49 HA CYS 49 -8.374 5.141 0.358 184 HB2 CYS 49 HB2 CYS 49 -6.672 3.253 -1.283 185 HB3 CYS 49 HB1 CYS 49 -7.410 4.736 -1.879 186 HG CYS 49 HG CYS 49 -4.758 5.338 -1.571 187 H LEU 50 HN LEU 50 -8.703 1.707 0.404 188 HA LEU 50 HA LEU 50 -10.462 1.276 -1.714 189 HB2 LEU 50 HB2 LEU 50 -9.343 -0.315 0.139 190 HB3 LEU 50 HB1 LEU 50 -10.965 -0.215 0.796 191 HG LEU 50 HG LEU 50 -11.784 -0.944 -1.505 192 HD11 LEU 50 HD11 LEU 50 -10.017 -2.296 -2.734 193 HD12 LEU 50 HD12 LEU 50 -8.830 -1.387 -1.793 194 HD13 LEU 50 HD13 LEU 50 -9.927 -0.541 -2.883 195 HD21 LEU 50 HD21 LEU 50 -11.771 -2.433 0.423 196 HD22 LEU 50 HD22 LEU 50 -10.083 -2.838 0.113 197 HD23 LEU 50 HD23 LEU 50 -11.328 -3.306 -1.044 198 H LEU 51 HN LEU 51 -11.104 2.363 1.588 199 HA LEU 51 HA LEU 51 -13.935 2.299 1.358 200 HB2 LEU 51 HB2 LEU 51 -12.018 3.581 3.269 201 HB3 LEU 51 HB1 LEU 51 -13.726 3.966 3.346 202 HG LEU 51 HG LEU 51 -14.208 1.538 3.655 203 HD11 LEU 51 HD11 LEU 51 -11.212 1.329 3.908 204 HD12 LEU 51 HD12 LEU 51 -12.201 0.623 2.631 205 HD13 LEU 51 HD13 LEU 51 -12.371 0.055 4.292 206 HD21 LEU 51 HD21 LEU 51 -13.484 1.461 5.984 207 HD22 LEU 51 HD22 LEU 51 -14.089 3.061 5.556 208 HD23 LEU 51 HD23 LEU 51 -12.353 2.779 5.682 209 H HIS 52 HN HIS 52 -11.496 4.642 0.526 210 HA HIS 52 HA HIS 52 -13.042 6.960 0.391 211 HB2 HIS 52 HB2 HIS 52 -10.629 7.049 0.186 212 HB3 HIS 52 HB1 HIS 52 -10.683 6.106 -1.300 213 HD1 HIS 52 HD1 HIS 52 -11.276 7.338 -3.463 214 HD2 HIS 52 HD2 HIS 52 -11.373 9.759 -0.088 215 HE1 HIS 52 HE1 HIS 52 -11.428 9.694 -4.330 216 HE2 HIS 52 HE2 HIS 52 -11.573 11.135 -2.269 217 H PHE 53 HN PHE 53 -12.718 4.283 -1.850 218 HA PHE 53 HA PHE 53 -14.458 5.614 -3.787 219 HB2 PHE 53 HB2 PHE 53 -12.966 2.987 -3.954 220 HB3 PHE 53 HB1 PHE 53 -13.927 3.690 -5.251 221 HD1 PHE 53 HD1 PHE 53 -10.780 3.791 -3.450 222 HD2 PHE 53 HD2 PHE 53 -13.172 5.726 -6.390 223 HE1 PHE 53 HE1 PHE 53 -8.808 5.042 -4.225 224 HE2 PHE 53 HE2 PHE 53 -11.204 6.980 -7.171 225 HZ PHE 53 HZ PHE 53 -9.019 6.640 -6.088 226 H GLY 54 HN GLY 54 -14.468 3.122 -1.383 227 HA2 GLY 54 HA2 GLY 54 -16.358 2.186 -0.382 228 HA3 GLY 54 HA1 GLY 54 -17.340 2.830 -1.688 229 H VAL 55 HN VAL 55 -15.379 1.621 -3.646 230 HA VAL 55 HA VAL 55 -15.616 -0.135 -5.081 231 HB VAL 55 HB VAL 55 -14.552 -2.139 -4.233 232 HG11 VAL 55 HG11 VAL 55 -13.171 -0.261 -4.896 233 HG12 VAL 55 HG12 VAL 55 -12.428 -1.128 -3.553 234 HG13 VAL 55 HG13 VAL 55 -13.262 0.399 -3.263 235 HG21 VAL 55 HG21 VAL 55 -14.808 -0.833 -1.536 236 HG22 VAL 55 HG22 VAL 55 -13.779 -2.223 -1.874 237 HG23 VAL 55 HG23 VAL 55 -15.527 -2.357 -2.054 238 H ILE 56 HN ILE 56 -18.142 0.417 -3.706 239 HA ILE 56 HA ILE 56 -19.392 -2.179 -4.192 240 HB ILE 56 HB ILE 56 -19.491 -0.702 -1.603 241 HG12 ILE 56 HG12 ILE 56 -19.968 -3.251 -0.984 242 HG13 ILE 56 HG11 ILE 56 -19.248 -3.515 -2.568 243 HG21 ILE 56 HG21 ILE 56 -21.776 -0.500 -2.219 244 HG22 ILE 56 HG22 ILE 56 -21.667 -1.845 -1.083 245 HG23 ILE 56 HG23 ILE 56 -21.827 -2.160 -2.812 246 HD11 ILE 56 HD11 ILE 56 -17.237 -2.358 -1.860 247 HD12 ILE 56 HD12 ILE 56 -17.611 -3.696 -0.777 248 HD13 ILE 56 HD13 ILE 56 -17.961 -2.039 -0.285 249 H GLY 57 HN GLY 57 -21.243 -2.029 -5.316 250 HA2 GLY 57 HA2 GLY 57 -23.107 -1.113 -6.312 251 HA3 GLY 57 HA1 GLY 57 -22.973 0.241 -5.201 252 HA PRO 58 HA PRO 58 -21.789 1.644 -9.504 253 HB2 PRO 58 HB2 PRO 58 -23.674 3.542 -9.821 254 HB3 PRO 58 HB1 PRO 58 -23.984 1.842 -10.193 255 HG2 PRO 58 HG2 PRO 58 -24.727 3.415 -7.755 256 HG3 PRO 58 HG1 PRO 58 -25.698 2.247 -8.671 257 HD2 PRO 58 HD2 PRO 58 -24.405 1.631 -6.349 258 HD3 PRO 58 HD1 PRO 58 -24.736 0.443 -7.626 259 H GLN 59 HN GLN 59 -22.021 2.914 -6.389 260 HA GLN 59 HA GLN 59 -21.106 5.578 -7.033 261 HB2 GLN 59 HB2 GLN 59 -20.900 5.773 -4.517 262 HB3 GLN 59 HB1 GLN 59 -22.515 5.448 -5.133 263 HG2 GLN 59 HG2 GLN 59 -22.294 3.105 -4.550 264 HG3 GLN 59 HG1 GLN 59 -20.643 3.382 -3.996 265 HE21 GLN 59 HE21 GLN 59 -21.319 5.974 -2.819 266 HE22 GLN 59 HE22 GLN 59 -22.177 5.624 -1.361 267 H ARG 60 HN ARG 60 -19.248 4.544 -8.266 268 HA ARG 60 HA ARG 60 -17.045 3.712 -6.545 269 HB2 ARG 60 HB2 ARG 60 -15.864 3.420 -8.797 270 HB3 ARG 60 HB1 ARG 60 -17.194 2.330 -8.434 271 HG2 ARG 60 HG2 ARG 60 -18.682 3.663 -9.830 272 HG3 ARG 60 HG1 ARG 60 -17.361 4.781 -10.178 273 HD2 ARG 60 HD2 ARG 60 -17.709 3.161 -11.993 274 HD3 ARG 60 HD1 ARG 60 -16.111 3.011 -11.263 275 HE ARG 60 HE ARG 60 -18.204 1.232 -10.287 276 HH11 ARG 60 HH11 ARG 60 -15.362 1.691 -12.252 277 HH12 ARG 60 HH12 ARG 60 -15.020 -0.002 -12.380 278 HH21 ARG 60 HH21 ARG 60 -17.762 -0.999 -10.451 279 HH22 ARG 60 HH22 ARG 60 -16.386 -1.532 -11.358 Start of MODEL 15 1 H1 ARG 28 HT1 ARG 28 25.817 2.479 3.386 2 H2 ARG 28 HT2 ARG 28 26.831 3.815 3.610 3 H3 ARG 28 HT3 ARG 28 26.204 3.479 2.076 4 HA ARG 28 HA ARG 28 24.637 4.282 4.458 5 HB2 ARG 28 HB2 ARG 28 25.976 6.107 3.460 6 HB3 ARG 28 HB1 ARG 28 25.237 5.781 1.898 7 HG2 ARG 28 HG2 ARG 28 23.050 6.135 3.491 8 HG3 ARG 28 HG1 ARG 28 24.208 7.266 4.194 9 HD2 ARG 28 HD2 ARG 28 24.607 8.148 1.881 10 HD3 ARG 28 HD1 ARG 28 23.265 7.142 1.331 11 HE ARG 28 HE ARG 28 22.341 8.675 3.461 12 HH11 ARG 28 HH11 ARG 28 23.541 9.156 0.224 13 HH12 ARG 28 HH12 ARG 28 22.617 10.597 -0.042 14 HH21 ARG 28 HH21 ARG 28 21.123 10.572 3.119 15 HH22 ARG 28 HH22 ARG 28 21.246 11.404 1.604 16 H ARG 29 HN ARG 29 22.614 3.555 4.408 17 HA ARG 29 HA ARG 29 21.559 2.201 2.140 18 HB2 ARG 29 HB2 ARG 29 19.622 1.797 3.445 19 HB3 ARG 29 HB1 ARG 29 20.983 1.707 4.546 20 HG2 ARG 29 HG2 ARG 29 19.169 4.092 4.238 21 HG3 ARG 29 HG1 ARG 29 19.033 2.867 5.499 22 HD2 ARG 29 HD2 ARG 29 21.282 3.445 6.290 23 HD3 ARG 29 HD1 ARG 29 21.400 4.680 5.037 24 HE ARG 29 HE ARG 29 19.143 4.940 6.830 25 HH11 ARG 29 HH11 ARG 29 22.437 5.844 6.136 26 HH12 ARG 29 HH12 ARG 29 22.380 7.279 7.103 27 HH21 ARG 29 HH21 ARG 29 19.062 6.827 8.102 28 HH22 ARG 29 HH22 ARG 29 20.462 7.838 8.219 29 H CYS 30 HN CYS 30 20.677 3.070 0.392 30 HA CYS 30 HA CYS 30 19.806 5.856 0.530 31 HB2 CYS 30 HB2 CYS 30 20.472 4.155 -1.876 32 HB3 CYS 30 HB1 CYS 30 20.014 5.854 -1.930 33 HG CYS 30 HG CYS 30 22.597 5.305 0.097 34 H LEU 31 HN LEU 31 18.385 5.627 -2.007 35 HA LEU 31 HA LEU 31 15.782 5.509 -1.121 36 HB2 LEU 31 HB2 LEU 31 16.951 5.121 -3.866 37 HB3 LEU 31 HB1 LEU 31 15.222 5.146 -3.585 38 HG LEU 31 HG LEU 31 15.959 7.312 -4.366 39 HD11 LEU 31 HD11 LEU 31 14.131 7.254 -2.751 40 HD12 LEU 31 HD12 LEU 31 15.093 8.723 -2.585 41 HD13 LEU 31 HD13 LEU 31 15.289 7.405 -1.430 42 HD21 LEU 31 HD21 LEU 31 17.538 8.682 -3.151 43 HD22 LEU 31 HD22 LEU 31 18.299 7.157 -3.604 44 HD23 LEU 31 HD23 LEU 31 17.756 7.413 -1.945 45 H PHE 32 HN PHE 32 17.881 2.898 -1.958 46 HA PHE 32 HA PHE 32 16.124 0.882 -2.668 47 HB2 PHE 32 HB2 PHE 32 18.612 0.682 -2.603 48 HB3 PHE 32 HB1 PHE 32 18.530 0.601 -0.846 49 HD1 PHE 32 HD1 PHE 32 17.824 -1.171 -3.976 50 HD2 PHE 32 HD2 PHE 32 17.797 -1.388 0.274 51 HE1 PHE 32 HE1 PHE 32 17.532 -3.610 -4.107 52 HE2 PHE 32 HE2 PHE 32 17.506 -3.830 0.151 53 HZ PHE 32 HZ PHE 32 17.393 -4.945 -2.042 54 H LEU 33 HN LEU 33 16.503 2.517 0.306 55 HA LEU 33 HA LEU 33 15.221 0.520 1.939 56 HB2 LEU 33 HB2 LEU 33 16.700 2.989 2.331 57 HB3 LEU 33 HB1 LEU 33 15.257 2.932 3.336 58 HG LEU 33 HG LEU 33 17.298 2.067 4.461 59 HD11 LEU 33 HD11 LEU 33 15.070 1.365 5.181 60 HD12 LEU 33 HD12 LEU 33 16.250 0.070 5.382 61 HD13 LEU 33 HD13 LEU 33 15.118 0.030 4.030 62 HD21 LEU 33 HD21 LEU 33 18.224 -0.064 3.810 63 HD22 LEU 33 HD22 LEU 33 18.313 1.055 2.449 64 HD23 LEU 33 HD23 LEU 33 17.071 -0.197 2.483 65 H SER 34 HN SER 34 14.332 3.508 0.317 66 HA SER 34 HA SER 34 11.770 3.694 1.604 67 HB2 SER 34 HB2 SER 34 12.839 5.122 -0.840 68 HB3 SER 34 HB1 SER 34 11.357 5.536 0.022 69 HG SER 34 HG SER 34 12.812 5.756 1.916 70 H LEU 35 HN LEU 35 13.008 2.274 -1.341 71 HA LEU 35 HA LEU 35 10.406 1.890 -2.524 72 HB2 LEU 35 HB2 LEU 35 12.876 0.401 -3.338 73 HB3 LEU 35 HB1 LEU 35 11.515 0.895 -4.326 74 HG LEU 35 HG LEU 35 13.122 3.070 -3.127 75 HD11 LEU 35 HD11 LEU 35 14.689 1.196 -3.925 76 HD12 LEU 35 HD12 LEU 35 14.973 2.837 -4.515 77 HD13 LEU 35 HD13 LEU 35 14.169 1.653 -5.548 78 HD21 LEU 35 HD21 LEU 35 11.183 3.458 -4.609 79 HD22 LEU 35 HD22 LEU 35 12.027 2.601 -5.899 80 HD23 LEU 35 HD23 LEU 35 12.683 4.111 -5.267 81 H PHE 36 HN PHE 36 12.901 -0.272 -1.217 82 HA PHE 36 HA PHE 36 11.502 -2.659 -1.419 83 HB2 PHE 36 HB2 PHE 36 13.959 -2.257 -0.837 84 HB3 PHE 36 HB1 PHE 36 13.412 -2.041 0.824 85 HD1 PHE 36 HD1 PHE 36 13.315 -4.464 -1.995 86 HD2 PHE 36 HD2 PHE 36 13.161 -3.875 2.218 87 HE1 PHE 36 HE1 PHE 36 13.384 -6.901 -1.655 88 HE2 PHE 36 HE2 PHE 36 13.230 -6.310 2.565 89 HZ PHE 36 HZ PHE 36 13.340 -7.826 0.622 90 H SER 37 HN SER 37 10.954 -0.027 0.693 91 HA SER 37 HA SER 37 9.363 -1.697 2.513 92 HB2 SER 37 HB2 SER 37 9.366 0.215 4.032 93 HB3 SER 37 HB1 SER 37 11.018 -0.178 3.559 94 HG SER 37 HG SER 37 10.238 2.132 3.484 95 H PHE 38 HN PHE 38 9.111 0.474 -0.091 96 HA PHE 38 HA PHE 38 6.540 1.558 0.507 97 HB2 PHE 38 HB2 PHE 38 8.062 2.713 -1.013 98 HB3 PHE 38 HB1 PHE 38 8.022 1.348 -2.122 99 HD1 PHE 38 HD1 PHE 38 6.520 1.356 -3.872 100 HD2 PHE 38 HD2 PHE 38 5.770 3.820 -0.484 101 HE1 PHE 38 HE1 PHE 38 4.592 2.354 -5.030 102 HE2 PHE 38 HE2 PHE 38 3.839 4.821 -1.636 103 HZ PHE 38 HZ PHE 38 3.249 4.089 -3.911 104 H LEU 39 HN LEU 39 7.696 -1.180 -1.415 105 HA LEU 39 HA LEU 39 5.251 -1.887 -2.587 106 HB2 LEU 39 HB2 LEU 39 7.741 -3.416 -1.922 107 HB3 LEU 39 HB1 LEU 39 6.340 -4.251 -2.567 108 HG LEU 39 HG LEU 39 6.477 -2.488 -4.473 109 HD11 LEU 39 HD11 LEU 39 9.088 -2.198 -3.061 110 HD12 LEU 39 HD12 LEU 39 8.041 -0.954 -3.747 111 HD13 LEU 39 HD13 LEU 39 9.000 -1.985 -4.810 112 HD21 LEU 39 HD21 LEU 39 8.528 -4.684 -4.181 113 HD22 LEU 39 HD22 LEU 39 8.049 -3.920 -5.697 114 HD23 LEU 39 HD23 LEU 39 6.879 -4.870 -4.781 115 H ILE 40 HN ILE 40 6.420 -2.261 0.632 116 HA ILE 40 HA ILE 40 4.528 -4.331 1.346 117 HB ILE 40 HB ILE 40 6.332 -2.661 3.106 118 HG12 ILE 40 HG12 ILE 40 6.688 -5.533 2.237 119 HG13 ILE 40 HG11 ILE 40 7.438 -4.179 1.399 120 HG21 ILE 40 HG21 ILE 40 4.413 -3.553 4.320 121 HG22 ILE 40 HG22 ILE 40 5.901 -4.361 4.812 122 HG23 ILE 40 HG23 ILE 40 4.777 -5.171 3.722 123 HD11 ILE 40 HD11 ILE 40 8.664 -3.593 3.407 124 HD12 ILE 40 HD12 ILE 40 8.974 -5.268 2.948 125 HD13 ILE 40 HD13 ILE 40 7.880 -4.907 4.284 126 H VAL 41 HN VAL 41 5.041 -0.922 2.257 127 HA VAL 41 HA VAL 41 2.649 -0.679 3.737 128 HB VAL 41 HB VAL 41 4.653 0.865 3.852 129 HG11 VAL 41 HG11 VAL 41 3.357 2.132 1.442 130 HG12 VAL 41 HG12 VAL 41 4.872 1.230 1.424 131 HG13 VAL 41 HG13 VAL 41 4.757 2.739 2.328 132 HG21 VAL 41 HG21 VAL 41 2.563 1.366 4.995 133 HG22 VAL 41 HG22 VAL 41 1.927 2.118 3.532 134 HG23 VAL 41 HG23 VAL 41 3.300 2.841 4.371 135 H ALA 42 HN ALA 42 3.302 -0.630 0.361 136 HA ALA 42 HA ALA 42 1.253 0.973 -0.628 137 HB1 ALA 42 HB1 ALA 42 3.047 0.065 -2.021 138 HB2 ALA 42 HB2 ALA 42 1.460 -0.299 -2.698 139 HB3 ALA 42 HB3 ALA 42 2.364 -1.552 -1.849 140 H GLY 43 HN GLY 43 1.201 -2.394 0.431 141 HA2 GLY 43 HA2 GLY 43 -1.447 -2.937 -0.455 142 HA3 GLY 43 HA1 GLY 43 -0.535 -3.876 0.719 143 H ALA 44 HN ALA 44 -0.111 -1.563 2.473 144 HA ALA 44 HA ALA 44 -2.595 -1.750 3.932 145 HB1 ALA 44 HB1 ALA 44 -0.476 -1.893 5.120 146 HB2 ALA 44 HB2 ALA 44 -1.408 -0.504 5.677 147 HB3 ALA 44 HB3 ALA 44 -0.047 -0.270 4.580 148 H THR 45 HN THR 45 -0.983 0.567 1.905 149 HA THR 45 HA THR 45 -2.602 2.803 2.734 150 HB THR 45 HB THR 45 -1.553 3.982 0.810 151 HG1 THR 45 HG1 THR 45 -1.194 1.651 -0.176 152 HG21 THR 45 HG21 THR 45 -0.456 4.070 2.960 153 HG22 THR 45 HG22 THR 45 0.766 3.916 1.696 154 HG23 THR 45 HG23 THR 45 0.319 2.514 2.667 155 H THR 46 HN THR 46 -2.600 0.429 0.154 156 HA THR 46 HA THR 46 -4.606 1.693 -1.426 157 HB THR 46 HB THR 46 -3.761 -1.212 -1.387 158 HG1 THR 46 HG1 THR 46 -2.930 0.184 -3.529 159 HG21 THR 46 HG21 THR 46 -4.730 -1.306 -3.635 160 HG22 THR 46 HG22 THR 46 -5.268 0.366 -3.477 161 HG23 THR 46 HG23 THR 46 -5.951 -0.882 -2.436 162 H LEU 47 HN LEU 47 -4.634 -0.910 0.978 163 HA LEU 47 HA LEU 47 -7.339 -1.590 0.789 164 HB2 LEU 47 HB2 LEU 47 -5.397 -2.720 2.079 165 HB3 LEU 47 HB1 LEU 47 -5.814 -1.624 3.379 166 HG LEU 47 HG LEU 47 -6.785 -3.887 3.640 167 HD11 LEU 47 HD11 LEU 47 -8.965 -3.178 4.316 168 HD12 LEU 47 HD12 LEU 47 -8.898 -1.781 3.243 169 HD13 LEU 47 HD13 LEU 47 -7.828 -1.870 4.641 170 HD21 LEU 47 HD21 LEU 47 -8.409 -3.150 1.209 171 HD22 LEU 47 HD22 LEU 47 -8.645 -4.574 2.220 172 HD23 LEU 47 HD23 LEU 47 -7.161 -4.394 1.283 173 H PHE 48 HN PHE 48 -5.700 0.790 2.844 174 HA PHE 48 HA PHE 48 -7.959 1.649 4.273 175 HB2 PHE 48 HB2 PHE 48 -5.627 2.147 4.933 176 HB3 PHE 48 HB1 PHE 48 -5.480 3.230 3.551 177 HD1 PHE 48 HD1 PHE 48 -7.225 2.706 6.765 178 HD2 PHE 48 HD2 PHE 48 -6.269 5.448 3.654 179 HE1 PHE 48 HE1 PHE 48 -8.083 4.559 8.139 180 HE2 PHE 48 HE2 PHE 48 -7.124 7.306 5.022 181 HZ PHE 48 HZ PHE 48 -8.033 6.862 7.268 182 H CYS 49 HN CYS 49 -6.347 3.188 1.485 183 HA CYS 49 HA CYS 49 -8.296 5.181 1.102 184 HB2 CYS 49 HB2 CYS 49 -6.047 5.365 0.167 185 HB3 CYS 49 HB1 CYS 49 -6.352 3.985 -0.882 186 HG CYS 49 HG CYS 49 -8.197 5.245 -2.487 187 H LEU 50 HN LEU 50 -8.237 1.846 0.216 188 HA LEU 50 HA LEU 50 -9.879 1.791 -2.020 189 HB2 LEU 50 HB2 LEU 50 -8.662 -0.104 -0.610 190 HB3 LEU 50 HB1 LEU 50 -10.267 -0.291 0.070 191 HG LEU 50 HG LEU 50 -11.102 -0.534 -2.318 192 HD11 LEU 50 HD11 LEU 50 -9.249 -1.410 -3.849 193 HD12 LEU 50 HD12 LEU 50 -8.136 -0.589 -2.752 194 HD13 LEU 50 HD13 LEU 50 -9.367 0.334 -3.617 195 HD21 LEU 50 HD21 LEU 50 -10.460 -2.886 -2.434 196 HD22 LEU 50 HD22 LEU 50 -10.869 -2.424 -0.781 197 HD23 LEU 50 HD23 LEU 50 -9.179 -2.603 -1.255 198 H LEU 51 HN LEU 51 -10.774 1.841 1.409 199 HA LEU 51 HA LEU 51 -13.569 1.654 0.969 200 HB2 LEU 51 HB2 LEU 51 -12.011 2.723 3.323 201 HB3 LEU 51 HB1 LEU 51 -13.745 2.457 3.322 202 HG LEU 51 HG LEU 51 -11.695 0.280 2.899 203 HD11 LEU 51 HD11 LEU 51 -12.262 -0.418 5.185 204 HD12 LEU 51 HD12 LEU 51 -13.244 1.036 5.374 205 HD13 LEU 51 HD13 LEU 51 -11.501 1.173 5.144 206 HD21 LEU 51 HD21 LEU 51 -14.666 0.168 3.411 207 HD22 LEU 51 HD22 LEU 51 -13.586 -1.221 3.285 208 HD23 LEU 51 HD23 LEU 51 -13.861 -0.188 1.882 209 H HIS 52 HN HIS 52 -11.312 4.317 1.061 210 HA HIS 52 HA HIS 52 -13.418 6.311 1.100 211 HB2 HIS 52 HB2 HIS 52 -10.413 6.547 0.872 212 HB3 HIS 52 HB1 HIS 52 -11.509 7.925 0.904 213 HD1 HIS 52 HD1 HIS 52 -9.851 5.438 3.082 214 HD2 HIS 52 HD2 HIS 52 -12.786 8.360 3.419 215 HE1 HIS 52 HE1 HIS 52 -10.159 5.800 5.551 216 HE2 HIS 52 HE2 HIS 52 -11.947 7.564 5.733 217 H PHE 53 HN PHE 53 -12.239 4.325 -1.222 218 HA PHE 53 HA PHE 53 -12.282 6.320 -3.360 219 HB2 PHE 53 HB2 PHE 53 -10.477 4.558 -3.246 220 HB3 PHE 53 HB1 PHE 53 -11.718 3.364 -3.618 221 HD1 PHE 53 HD1 PHE 53 -9.875 6.276 -4.913 222 HD2 PHE 53 HD2 PHE 53 -12.555 3.097 -5.820 223 HE1 PHE 53 HE1 PHE 53 -9.564 6.704 -7.317 224 HE2 PHE 53 HE2 PHE 53 -12.249 3.518 -8.224 225 HZ PHE 53 HZ PHE 53 -10.745 5.334 -8.972 226 H GLY 54 HN GLY 54 -14.205 3.817 -1.955 227 HA2 GLY 54 HA2 GLY 54 -16.452 3.380 -2.303 228 HA3 GLY 54 HA1 GLY 54 -16.445 4.552 -3.611 229 H VAL 55 HN VAL 55 -14.154 1.927 -3.512 230 HA VAL 55 HA VAL 55 -14.594 1.049 -6.087 231 HB VAL 55 HB VAL 55 -13.522 -1.100 -5.387 232 HG11 VAL 55 HG11 VAL 55 -12.189 0.821 -6.080 233 HG12 VAL 55 HG12 VAL 55 -11.371 -0.089 -4.809 234 HG13 VAL 55 HG13 VAL 55 -12.185 1.427 -4.424 235 HG21 VAL 55 HG21 VAL 55 -12.696 -1.299 -3.093 236 HG22 VAL 55 HG22 VAL 55 -14.458 -1.243 -3.135 237 HG23 VAL 55 HG23 VAL 55 -13.542 0.187 -2.657 238 H ILE 56 HN ILE 56 -16.176 -0.013 -3.111 239 HA ILE 56 HA ILE 56 -18.091 -1.510 -4.770 240 HB ILE 56 HB ILE 56 -17.194 -2.261 -1.988 241 HG12 ILE 56 HG12 ILE 56 -15.466 -2.717 -3.671 242 HG13 ILE 56 HG11 ILE 56 -16.157 -4.214 -3.054 243 HG21 ILE 56 HG21 ILE 56 -18.533 -4.293 -2.350 244 HG22 ILE 56 HG22 ILE 56 -19.100 -3.630 -3.882 245 HG23 ILE 56 HG23 ILE 56 -19.518 -2.830 -2.368 246 HD11 ILE 56 HD11 ILE 56 -15.811 -4.334 -5.447 247 HD12 ILE 56 HD12 ILE 56 -16.820 -2.907 -5.683 248 HD13 ILE 56 HD13 ILE 56 -17.533 -4.398 -5.068 249 H GLY 57 HN GLY 57 -17.573 0.434 -1.902 250 HA2 GLY 57 HA2 GLY 57 -19.026 2.030 -1.012 251 HA3 GLY 57 HA1 GLY 57 -20.285 1.443 -2.088 252 HA PRO 58 HA PRO 58 -21.606 0.187 2.163 253 HB2 PRO 58 HB2 PRO 58 -24.162 -0.028 0.663 254 HB3 PRO 58 HB1 PRO 58 -23.831 0.742 2.218 255 HG2 PRO 58 HG2 PRO 58 -24.241 2.211 0.035 256 HG3 PRO 58 HG1 PRO 58 -23.020 2.681 1.235 257 HD2 PRO 58 HD2 PRO 58 -22.654 1.378 -1.434 258 HD3 PRO 58 HD1 PRO 58 -21.675 2.636 -0.649 259 H GLN 59 HN GLN 59 -20.768 -1.828 2.377 260 HA GLN 59 HA GLN 59 -21.544 -3.967 0.582 261 HB2 GLN 59 HB2 GLN 59 -19.216 -3.756 1.410 262 HB3 GLN 59 HB1 GLN 59 -19.792 -4.047 3.046 263 HG2 GLN 59 HG2 GLN 59 -20.528 -6.269 2.421 264 HG3 GLN 59 HG1 GLN 59 -20.031 -5.982 0.754 265 HE21 GLN 59 HE21 GLN 59 -17.835 -5.909 0.253 266 HE22 GLN 59 HE22 GLN 59 -16.635 -6.557 1.314 267 H ARG 60 HN ARG 60 -23.316 -5.130 0.881 268 HA ARG 60 HA ARG 60 -24.561 -5.197 3.525 269 HB2 ARG 60 HB2 ARG 60 -26.475 -6.269 2.208 270 HB3 ARG 60 HB1 ARG 60 -26.127 -4.576 1.889 271 HG2 ARG 60 HG2 ARG 60 -24.792 -5.310 -0.094 272 HG3 ARG 60 HG1 ARG 60 -25.387 -6.947 0.191 273 HD2 ARG 60 HD2 ARG 60 -27.688 -6.151 -0.055 274 HD3 ARG 60 HD1 ARG 60 -27.092 -4.515 -0.335 275 HE ARG 60 HE ARG 60 -26.444 -6.757 -2.137 276 HH11 ARG 60 HH11 ARG 60 -27.513 -3.487 -1.579 277 HH12 ARG 60 HH12 ARG 60 -27.608 -3.094 -3.263 278 HH21 ARG 60 HH21 ARG 60 -26.568 -6.249 -4.357 279 HH22 ARG 60 HH22 ARG 60 -27.071 -4.663 -4.842 Start of MODEL 16 1 H1 ARG 28 HT1 ARG 28 22.602 -7.989 1.680 2 H2 ARG 28 HT2 ARG 28 24.004 -8.015 2.624 3 H3 ARG 28 HT3 ARG 28 24.083 -7.523 1.008 4 HA ARG 28 HA ARG 28 22.695 -6.113 3.213 5 HB2 ARG 28 HB2 ARG 28 25.284 -6.050 2.945 6 HB3 ARG 28 HB1 ARG 28 24.958 -5.049 1.540 7 HG2 ARG 28 HG2 ARG 28 23.975 -4.415 4.313 8 HG3 ARG 28 HG1 ARG 28 25.476 -3.793 3.630 9 HD2 ARG 28 HD2 ARG 28 24.133 -2.795 1.772 10 HD3 ARG 28 HD1 ARG 28 22.675 -3.299 2.627 11 HE ARG 28 HE ARG 28 24.634 -1.382 3.714 12 HH11 ARG 28 HH11 ARG 28 21.365 -2.527 3.312 13 HH12 ARG 28 HH12 ARG 28 20.665 -1.230 4.223 14 HH21 ARG 28 HH21 ARG 28 23.720 0.322 4.913 15 HH22 ARG 28 HH22 ARG 28 22.005 0.387 5.134 16 H ARG 29 HN ARG 29 20.724 -5.801 2.192 17 HA ARG 29 HA ARG 29 20.351 -5.122 -0.492 18 HB2 ARG 29 HB2 ARG 29 18.674 -4.373 1.909 19 HB3 ARG 29 HB1 ARG 29 18.149 -4.236 0.237 20 HG2 ARG 29 HG2 ARG 29 18.381 -6.661 -0.027 21 HG3 ARG 29 HG1 ARG 29 18.884 -6.787 1.660 22 HD2 ARG 29 HD2 ARG 29 16.722 -5.865 2.363 23 HD3 ARG 29 HD1 ARG 29 16.223 -5.759 0.674 24 HE ARG 29 HE ARG 29 17.016 -8.403 1.354 25 HH11 ARG 29 HH11 ARG 29 14.402 -6.121 1.687 26 HH12 ARG 29 HH12 ARG 29 13.185 -7.344 1.835 27 HH21 ARG 29 HH21 ARG 29 15.420 -10.017 1.551 28 HH22 ARG 29 HH22 ARG 29 13.762 -9.558 1.756 29 H CYS 30 HN CYS 30 20.984 -3.392 -1.576 30 HA CYS 30 HA CYS 30 22.158 -1.160 -0.273 31 HB2 CYS 30 HB2 CYS 30 22.431 -0.254 -2.560 32 HB3 CYS 30 HB1 CYS 30 22.998 -1.914 -2.420 33 HG CYS 30 HG CYS 30 21.775 -2.568 -4.579 34 H LEU 31 HN LEU 31 21.182 0.800 -2.260 35 HA LEU 31 HA LEU 31 19.390 2.191 -0.696 36 HB2 LEU 31 HB2 LEU 31 20.001 2.329 -3.634 37 HB3 LEU 31 HB1 LEU 31 18.852 3.421 -2.882 38 HG LEU 31 HG LEU 31 21.033 4.480 -3.100 39 HD11 LEU 31 HD11 LEU 31 20.378 3.818 -0.233 40 HD12 LEU 31 HD12 LEU 31 19.635 5.094 -1.198 41 HD13 LEU 31 HD13 LEU 31 21.348 5.184 -0.786 42 HD21 LEU 31 HD21 LEU 31 22.977 3.663 -1.873 43 HD22 LEU 31 HD22 LEU 31 22.426 2.468 -3.048 44 HD23 LEU 31 HD23 LEU 31 22.059 2.255 -1.337 45 H PHE 32 HN PHE 32 18.732 -0.316 -3.039 46 HA PHE 32 HA PHE 32 16.042 0.159 -3.568 47 HB2 PHE 32 HB2 PHE 32 17.691 -2.345 -3.428 48 HB3 PHE 32 HB1 PHE 32 15.952 -2.454 -3.676 49 HD1 PHE 32 HD1 PHE 32 15.029 -0.877 -5.588 50 HD2 PHE 32 HD2 PHE 32 19.048 -2.237 -5.275 51 HE1 PHE 32 HE1 PHE 32 15.342 -0.489 -7.997 52 HE2 PHE 32 HE2 PHE 32 19.371 -1.849 -7.684 53 HZ PHE 32 HZ PHE 32 17.516 -0.974 -9.048 54 H LEU 33 HN LEU 33 17.572 -0.705 -0.667 55 HA LEU 33 HA LEU 33 15.771 -2.188 0.765 56 HB2 LEU 33 HB2 LEU 33 18.037 -1.302 1.489 57 HB3 LEU 33 HB1 LEU 33 17.227 0.204 1.881 58 HG LEU 33 HG LEU 33 15.693 -1.390 3.334 59 HD11 LEU 33 HD11 LEU 33 17.086 -3.177 4.348 60 HD12 LEU 33 HD12 LEU 33 18.283 -2.905 3.079 61 HD13 LEU 33 HD13 LEU 33 16.666 -3.472 2.660 62 HD21 LEU 33 HD21 LEU 33 17.027 0.477 4.178 63 HD22 LEU 33 HD22 LEU 33 18.466 -0.542 4.164 64 HD23 LEU 33 HD23 LEU 33 17.127 -0.921 5.248 65 H SER 34 HN SER 34 15.859 1.373 0.581 66 HA SER 34 HA SER 34 13.483 1.791 2.034 67 HB2 SER 34 HB2 SER 34 14.784 3.572 -0.041 68 HB3 SER 34 HB1 SER 34 13.549 4.078 1.111 69 HG SER 34 HG SER 34 15.241 3.100 2.673 70 H LEU 35 HN LEU 35 14.111 1.231 -1.368 71 HA LEU 35 HA LEU 35 11.573 1.950 -2.360 72 HB2 LEU 35 HB2 LEU 35 13.608 1.626 -3.749 73 HB3 LEU 35 HB1 LEU 35 13.514 -0.097 -3.447 74 HG LEU 35 HG LEU 35 12.644 0.852 -5.692 75 HD11 LEU 35 HD11 LEU 35 12.404 -1.466 -4.622 76 HD12 LEU 35 HD12 LEU 35 11.319 -1.031 -5.945 77 HD13 LEU 35 HD13 LEU 35 10.745 -0.974 -4.277 78 HD21 LEU 35 HD21 LEU 35 10.308 1.478 -5.718 79 HD22 LEU 35 HD22 LEU 35 11.207 2.591 -4.686 80 HD23 LEU 35 HD23 LEU 35 10.215 1.323 -3.963 81 H PHE 36 HN PHE 36 12.805 -0.963 -0.869 82 HA PHE 36 HA PHE 36 10.572 -2.609 -1.572 83 HB2 PHE 36 HB2 PHE 36 12.725 -3.629 -1.083 84 HB3 PHE 36 HB1 PHE 36 12.708 -2.953 0.542 85 HD1 PHE 36 HD1 PHE 36 10.886 -5.286 -1.696 86 HD2 PHE 36 HD2 PHE 36 11.773 -4.149 2.308 87 HE1 PHE 36 HE1 PHE 36 9.756 -7.312 -0.875 88 HE2 PHE 36 HE2 PHE 36 10.646 -6.173 3.136 89 HZ PHE 36 HZ PHE 36 9.642 -7.758 1.551 90 H SER 37 HN SER 37 11.546 -0.820 1.329 91 HA SER 37 HA SER 37 9.403 -1.629 2.963 92 HB2 SER 37 HB2 SER 37 9.982 0.319 4.358 93 HB3 SER 37 HB1 SER 37 11.423 -0.575 3.873 94 HG SER 37 HG SER 37 10.887 1.985 3.481 95 H PHE 38 HN PHE 38 9.481 0.413 0.259 96 HA PHE 38 HA PHE 38 7.286 2.111 1.004 97 HB2 PHE 38 HB2 PHE 38 9.010 2.846 -0.602 98 HB3 PHE 38 HB1 PHE 38 8.500 1.586 -1.719 99 HD1 PHE 38 HD1 PHE 38 6.722 1.936 -3.200 100 HD2 PHE 38 HD2 PHE 38 7.380 4.668 -0.006 101 HE1 PHE 38 HE1 PHE 38 5.069 3.473 -4.180 102 HE2 PHE 38 HE2 PHE 38 5.728 6.211 -0.980 103 HZ PHE 38 HZ PHE 38 4.570 5.613 -3.069 104 H LEU 39 HN LEU 39 7.699 -0.860 -0.847 105 HA LEU 39 HA LEU 39 5.081 -0.973 -1.907 106 HB2 LEU 39 HB2 LEU 39 7.286 -2.936 -1.490 107 HB3 LEU 39 HB1 LEU 39 5.689 -3.553 -1.868 108 HG LEU 39 HG LEU 39 6.908 -3.433 -3.900 109 HD11 LEU 39 HD11 LEU 39 4.579 -2.685 -4.054 110 HD12 LEU 39 HD12 LEU 39 5.608 -1.878 -5.237 111 HD13 LEU 39 HD13 LEU 39 5.101 -1.022 -3.782 112 HD21 LEU 39 HD21 LEU 39 8.511 -1.727 -2.842 113 HD22 LEU 39 HD22 LEU 39 7.431 -0.515 -3.532 114 HD23 LEU 39 HD23 LEU 39 8.243 -1.676 -4.585 115 H ILE 40 HN ILE 40 6.326 -1.513 1.226 116 HA ILE 40 HA ILE 40 4.305 -3.309 2.154 117 HB ILE 40 HB ILE 40 6.169 -1.502 3.703 118 HG12 ILE 40 HG12 ILE 40 6.324 -4.480 3.208 119 HG13 ILE 40 HG11 ILE 40 7.232 -3.282 2.291 120 HG21 ILE 40 HG21 ILE 40 4.471 -3.796 4.677 121 HG22 ILE 40 HG22 ILE 40 4.180 -2.087 5.006 122 HG23 ILE 40 HG23 ILE 40 5.624 -2.876 5.642 123 HD11 ILE 40 HD11 ILE 40 7.463 -3.816 5.243 124 HD12 ILE 40 HD12 ILE 40 8.350 -2.578 4.355 125 HD13 ILE 40 HD13 ILE 40 8.618 -4.283 3.996 126 H VAL 41 HN VAL 41 4.794 0.198 2.294 127 HA VAL 41 HA VAL 41 2.355 0.621 3.772 128 HB VAL 41 HB VAL 41 4.521 2.085 3.780 129 HG11 VAL 41 HG11 VAL 41 4.484 2.482 1.330 130 HG12 VAL 41 HG12 VAL 41 4.510 3.963 2.285 131 HG13 VAL 41 HG13 VAL 41 3.004 3.422 1.543 132 HG21 VAL 41 HG21 VAL 41 3.196 4.045 4.437 133 HG22 VAL 41 HG22 VAL 41 2.549 2.552 5.119 134 HG23 VAL 41 HG23 VAL 41 1.761 3.302 3.730 135 H ALA 42 HN ALA 42 3.310 0.441 0.464 136 HA ALA 42 HA ALA 42 1.286 1.995 -0.722 137 HB1 ALA 42 HB1 ALA 42 1.791 0.758 -2.773 138 HB2 ALA 42 HB2 ALA 42 2.735 -0.403 -1.839 139 HB3 ALA 42 HB3 ALA 42 3.262 1.277 -1.950 140 H GLY 43 HN GLY 43 1.359 -1.337 0.393 141 HA2 GLY 43 HA2 GLY 43 -1.186 -2.010 -0.777 142 HA3 GLY 43 HA1 GLY 43 -0.262 -2.992 0.350 143 H ALA 44 HN ALA 44 -0.088 -0.684 2.242 144 HA ALA 44 HA ALA 44 -2.574 -1.219 3.621 145 HB1 ALA 44 HB1 ALA 44 -0.476 -1.235 4.863 146 HB2 ALA 44 HB2 ALA 44 -1.563 0.011 5.478 147 HB3 ALA 44 HB3 ALA 44 -0.204 0.456 4.445 148 H THR 45 HN THR 45 -1.108 1.384 1.831 149 HA THR 45 HA THR 45 -2.978 3.385 2.728 150 HB THR 45 HB THR 45 -1.968 4.784 0.915 151 HG1 THR 45 HG1 THR 45 -0.778 3.838 -0.550 152 HG21 THR 45 HG21 THR 45 -0.090 3.438 2.856 153 HG22 THR 45 HG22 THR 45 -1.035 4.902 3.131 154 HG23 THR 45 HG23 THR 45 0.288 4.912 1.964 155 H THR 46 HN THR 46 -2.399 1.648 -0.326 156 HA THR 46 HA THR 46 -4.535 2.715 -1.774 157 HB THR 46 HB THR 46 -3.331 -0.051 -2.013 158 HG1 THR 46 HG1 THR 46 -1.917 1.855 -2.279 159 HG21 THR 46 HG21 THR 46 -5.478 0.074 -3.151 160 HG22 THR 46 HG22 THR 46 -4.169 0.035 -4.332 161 HG23 THR 46 HG23 THR 46 -4.982 1.557 -3.968 162 H LEU 47 HN LEU 47 -4.392 -0.366 0.015 163 HA LEU 47 HA LEU 47 -7.038 -1.140 -0.362 164 HB2 LEU 47 HB2 LEU 47 -5.010 -2.388 0.690 165 HB3 LEU 47 HB1 LEU 47 -5.573 -1.697 2.197 166 HG LEU 47 HG LEU 47 -6.332 -4.027 1.827 167 HD11 LEU 47 HD11 LEU 47 -8.604 -2.054 1.862 168 HD12 LEU 47 HD12 LEU 47 -7.597 -2.455 3.252 169 HD13 LEU 47 HD13 LEU 47 -8.610 -3.693 2.510 170 HD21 LEU 47 HD21 LEU 47 -6.579 -3.934 -0.604 171 HD22 LEU 47 HD22 LEU 47 -7.948 -2.838 -0.423 172 HD23 LEU 47 HD23 LEU 47 -8.058 -4.492 0.177 173 H PHE 48 HN PHE 48 -5.600 0.814 2.231 174 HA PHE 48 HA PHE 48 -7.799 1.112 3.880 175 HB2 PHE 48 HB2 PHE 48 -5.603 1.935 4.512 176 HB3 PHE 48 HB1 PHE 48 -5.648 3.135 3.224 177 HD1 PHE 48 HD1 PHE 48 -7.210 2.131 6.421 178 HD2 PHE 48 HD2 PHE 48 -6.673 5.225 3.548 179 HE1 PHE 48 HE1 PHE 48 -8.240 3.743 7.970 180 HE2 PHE 48 HE2 PHE 48 -7.702 6.842 5.092 181 HZ PHE 48 HZ PHE 48 -8.486 6.102 7.306 182 H CYS 49 HN CYS 49 -6.770 3.523 1.460 183 HA CYS 49 HA CYS 49 -9.143 5.014 1.543 184 HB2 CYS 49 HB2 CYS 49 -7.050 5.899 0.629 185 HB3 CYS 49 HB1 CYS 49 -7.137 4.756 -0.707 186 HG CYS 49 HG CYS 49 -9.933 6.195 -0.960 187 H LEU 50 HN LEU 50 -8.379 2.060 -0.076 188 HA LEU 50 HA LEU 50 -10.301 2.172 -2.148 189 HB2 LEU 50 HB2 LEU 50 -8.289 0.495 -1.577 190 HB3 LEU 50 HB1 LEU 50 -9.621 -0.455 -0.948 191 HG LEU 50 HG LEU 50 -10.714 -0.165 -3.229 192 HD11 LEU 50 HD11 LEU 50 -9.521 1.637 -4.156 193 HD12 LEU 50 HD12 LEU 50 -8.981 0.215 -5.050 194 HD13 LEU 50 HD13 LEU 50 -7.963 0.903 -3.782 195 HD21 LEU 50 HD21 LEU 50 -8.110 -1.678 -3.046 196 HD22 LEU 50 HD22 LEU 50 -9.400 -1.977 -4.210 197 HD23 LEU 50 HD23 LEU 50 -9.681 -2.254 -2.491 198 H LEU 51 HN LEU 51 -10.496 1.375 1.233 199 HA LEU 51 HA LEU 51 -12.969 -0.018 1.145 200 HB2 LEU 51 HB2 LEU 51 -11.684 1.489 3.424 201 HB3 LEU 51 HB1 LEU 51 -13.026 0.372 3.575 202 HG LEU 51 HG LEU 51 -10.276 -0.398 2.597 203 HD11 LEU 51 HD11 LEU 51 -10.192 0.291 4.927 204 HD12 LEU 51 HD12 LEU 51 -10.004 -1.457 4.786 205 HD13 LEU 51 HD13 LEU 51 -11.545 -0.776 5.306 206 HD21 LEU 51 HD21 LEU 51 -12.654 -2.071 3.402 207 HD22 LEU 51 HD22 LEU 51 -11.069 -2.683 2.929 208 HD23 LEU 51 HD23 LEU 51 -12.070 -1.827 1.756 209 H HIS 52 HN HIS 52 -12.088 3.353 1.305 210 HA HIS 52 HA HIS 52 -14.801 4.190 1.918 211 HB2 HIS 52 HB2 HIS 52 -12.363 5.859 1.268 212 HB3 HIS 52 HB1 HIS 52 -13.891 6.457 1.906 213 HD1 HIS 52 HD1 HIS 52 -10.735 4.772 2.910 214 HD2 HIS 52 HD2 HIS 52 -14.334 5.907 4.647 215 HE1 HIS 52 HE1 HIS 52 -10.372 4.581 5.390 216 HE2 HIS 52 HE2 HIS 52 -12.589 5.196 6.419 217 H PHE 53 HN PHE 53 -13.374 3.088 -0.785 218 HA PHE 53 HA PHE 53 -14.444 5.059 -2.637 219 HB2 PHE 53 HB2 PHE 53 -12.495 2.904 -2.761 220 HB3 PHE 53 HB1 PHE 53 -13.613 2.853 -4.120 221 HD1 PHE 53 HD1 PHE 53 -11.375 5.167 -2.260 222 HD2 PHE 53 HD2 PHE 53 -13.256 4.222 -5.958 223 HE1 PHE 53 HE1 PHE 53 -10.092 6.952 -3.364 224 HE2 PHE 53 HE2 PHE 53 -11.977 6.004 -7.070 225 HZ PHE 53 HZ PHE 53 -10.399 7.369 -5.786 226 H GLY 54 HN GLY 54 -15.478 2.231 -1.068 227 HA2 GLY 54 HA2 GLY 54 -17.601 1.288 -1.116 228 HA3 GLY 54 HA1 GLY 54 -17.983 2.288 -2.510 229 H VAL 55 HN VAL 55 -15.096 0.825 -3.149 230 HA VAL 55 HA VAL 55 -16.358 -1.069 -4.944 231 HB VAL 55 HB VAL 55 -14.006 -1.499 -5.718 232 HG11 VAL 55 HG11 VAL 55 -15.448 0.089 -6.865 233 HG12 VAL 55 HG12 VAL 55 -13.780 0.662 -6.859 234 HG13 VAL 55 HG13 VAL 55 -14.958 1.363 -5.749 235 HG21 VAL 55 HG21 VAL 55 -13.366 0.772 -3.837 236 HG22 VAL 55 HG22 VAL 55 -12.257 0.055 -5.006 237 HG23 VAL 55 HG23 VAL 55 -12.850 -0.903 -3.650 238 H ILE 56 HN ILE 56 -15.023 -1.109 -1.826 239 HA ILE 56 HA ILE 56 -14.864 -4.046 -1.905 240 HB ILE 56 HB ILE 56 -13.149 -2.231 -0.213 241 HG12 ILE 56 HG12 ILE 56 -12.467 -2.187 -2.567 242 HG13 ILE 56 HG11 ILE 56 -11.277 -3.036 -1.589 243 HG21 ILE 56 HG21 ILE 56 -13.179 -5.233 -0.489 244 HG22 ILE 56 HG22 ILE 56 -13.664 -4.301 0.928 245 HG23 ILE 56 HG23 ILE 56 -11.978 -4.305 0.409 246 HD11 ILE 56 HD11 ILE 56 -13.371 -4.336 -3.316 247 HD12 ILE 56 HD12 ILE 56 -12.143 -5.169 -2.365 248 HD13 ILE 56 HD13 ILE 56 -11.665 -4.148 -3.720 249 H GLY 57 HN GLY 57 -14.721 -1.622 0.659 250 HA2 GLY 57 HA2 GLY 57 -16.176 -1.193 2.410 251 HA3 GLY 57 HA1 GLY 57 -17.333 -2.283 1.662 252 HA PRO 58 HA PRO 58 -15.645 -4.341 5.483 253 HB2 PRO 58 HB2 PRO 58 -18.032 -5.098 6.503 254 HB3 PRO 58 HB1 PRO 58 -17.343 -3.495 6.792 255 HG2 PRO 58 HG2 PRO 58 -19.428 -4.328 4.809 256 HG3 PRO 58 HG1 PRO 58 -19.401 -2.907 5.871 257 HD2 PRO 58 HD2 PRO 58 -18.716 -2.786 3.252 258 HD3 PRO 58 HD1 PRO 58 -17.974 -1.742 4.483 259 H GLN 59 HN GLN 59 -17.228 -5.186 2.678 260 HA GLN 59 HA GLN 59 -17.548 -7.121 1.535 261 HB2 GLN 59 HB2 GLN 59 -15.112 -7.353 2.344 262 HB3 GLN 59 HB1 GLN 59 -15.750 -8.490 3.523 263 HG2 GLN 59 HG2 GLN 59 -16.604 -9.895 1.738 264 HG3 GLN 59 HG1 GLN 59 -16.028 -8.741 0.537 265 HE21 GLN 59 HE21 GLN 59 -14.689 -10.223 -0.454 266 HE22 GLN 59 HE22 GLN 59 -13.233 -10.799 0.276 267 H ARG 60 HN ARG 60 -19.038 -6.485 4.139 268 HA ARG 60 HA ARG 60 -20.316 -9.123 4.382 269 HB2 ARG 60 HB2 ARG 60 -19.633 -7.208 6.616 270 HB3 ARG 60 HB1 ARG 60 -20.759 -8.545 6.799 271 HG2 ARG 60 HG2 ARG 60 -17.880 -8.855 5.976 272 HG3 ARG 60 HG1 ARG 60 -18.473 -9.023 7.629 273 HD2 ARG 60 HD2 ARG 60 -19.954 -10.841 6.894 274 HD3 ARG 60 HD1 ARG 60 -19.313 -10.687 5.258 275 HE ARG 60 HE ARG 60 -17.126 -11.087 6.879 276 HH11 ARG 60 HH11 ARG 60 -20.056 -12.818 6.123 277 HH12 ARG 60 HH12 ARG 60 -19.355 -14.379 6.391 278 HH21 ARG 60 HH21 ARG 60 -16.197 -13.139 7.235 279 HH22 ARG 60 HH22 ARG 60 -17.162 -14.561 7.024 Start of MODEL 17 1 H1 ARG 28 HT1 ARG 28 27.000 4.571 2.445 2 H2 ARG 28 HT2 ARG 28 26.209 4.524 0.951 3 H3 ARG 28 HT3 ARG 28 25.907 3.327 2.105 4 HA ARG 28 HA ARG 28 24.884 4.899 3.571 5 HB2 ARG 28 HB2 ARG 28 26.265 6.834 2.929 6 HB3 ARG 28 HB1 ARG 28 25.451 6.898 1.372 7 HG2 ARG 28 HG2 ARG 28 23.454 6.952 3.375 8 HG3 ARG 28 HG1 ARG 28 24.701 8.115 3.826 9 HD2 ARG 28 HD2 ARG 28 24.564 9.010 1.478 10 HD3 ARG 28 HD1 ARG 28 23.146 7.985 1.249 11 HE ARG 28 HE ARG 28 22.317 9.299 3.330 12 HH11 ARG 28 HH11 ARG 28 24.225 10.562 0.699 13 HH12 ARG 28 HH12 ARG 28 23.590 12.167 0.840 14 HH21 ARG 28 HH21 ARG 28 21.476 11.411 3.519 15 HH22 ARG 28 HH22 ARG 28 22.029 12.649 2.442 16 H ARG 29 HN ARG 29 23.201 3.476 3.155 17 HA ARG 29 HA ARG 29 21.814 3.224 0.742 18 HB2 ARG 29 HB2 ARG 29 20.763 2.846 3.556 19 HB3 ARG 29 HB1 ARG 29 20.023 2.212 2.091 20 HG2 ARG 29 HG2 ARG 29 21.640 0.606 1.802 21 HG3 ARG 29 HG1 ARG 29 22.851 1.507 2.714 22 HD2 ARG 29 HD2 ARG 29 22.175 -0.399 4.005 23 HD3 ARG 29 HD1 ARG 29 21.552 1.058 4.779 24 HE ARG 29 HE ARG 29 19.538 0.154 3.130 25 HH11 ARG 29 HH11 ARG 29 21.343 -1.081 5.841 26 HH12 ARG 29 HH12 ARG 29 20.046 -2.073 6.419 27 HH21 ARG 29 HH21 ARG 29 17.824 -1.148 3.883 28 HH22 ARG 29 HH22 ARG 29 18.046 -2.111 5.306 29 H CYS 30 HN CYS 30 20.640 4.665 -0.325 30 HA CYS 30 HA CYS 30 19.597 6.987 1.115 31 HB2 CYS 30 HB2 CYS 30 19.957 6.540 -1.853 32 HB3 CYS 30 HB1 CYS 30 19.416 8.038 -1.104 33 HG CYS 30 HG CYS 30 21.950 8.661 -1.718 34 H LEU 31 HN LEU 31 17.817 7.598 -1.151 35 HA LEU 31 HA LEU 31 15.376 6.962 -0.190 36 HB2 LEU 31 HB2 LEU 31 16.019 7.153 -3.125 37 HB3 LEU 31 HB1 LEU 31 14.480 7.496 -2.357 38 HG LEU 31 HG LEU 31 16.071 9.238 -1.031 39 HD11 LEU 31 HD11 LEU 31 17.365 8.669 -3.652 40 HD12 LEU 31 HD12 LEU 31 18.093 9.080 -2.097 41 HD13 LEU 31 HD13 LEU 31 17.317 10.332 -3.068 42 HD21 LEU 31 HD21 LEU 31 13.938 9.716 -2.097 43 HD22 LEU 31 HD22 LEU 31 14.718 9.706 -3.679 44 HD23 LEU 31 HD23 LEU 31 15.139 10.943 -2.495 45 H PHE 32 HN PHE 32 17.451 4.843 -2.023 46 HA PHE 32 HA PHE 32 15.666 2.986 -3.027 47 HB2 PHE 32 HB2 PHE 32 18.381 2.455 -1.800 48 HB3 PHE 32 HB1 PHE 32 17.501 1.337 -2.836 49 HD1 PHE 32 HD1 PHE 32 17.197 1.834 -5.219 50 HD2 PHE 32 HD2 PHE 32 19.558 4.322 -2.698 51 HE1 PHE 32 HE1 PHE 32 18.225 2.865 -7.204 52 HE2 PHE 32 HE2 PHE 32 20.590 5.355 -4.678 53 HZ PHE 32 HZ PHE 32 19.929 4.623 -6.935 54 H LEU 33 HN LEU 33 16.354 3.740 0.213 55 HA LEU 33 HA LEU 33 15.769 1.290 1.488 56 HB2 LEU 33 HB2 LEU 33 16.684 3.740 2.281 57 HB3 LEU 33 HB1 LEU 33 15.041 3.780 2.893 58 HG LEU 33 HG LEU 33 16.515 3.015 4.633 59 HD11 LEU 33 HD11 LEU 33 14.303 2.001 4.562 60 HD12 LEU 33 HD12 LEU 33 15.502 0.864 5.180 61 HD13 LEU 33 HD13 LEU 33 14.915 0.714 3.524 62 HD21 LEU 33 HD21 LEU 33 17.858 0.996 4.410 63 HD22 LEU 33 HD22 LEU 33 18.332 2.206 3.217 64 HD23 LEU 33 HD23 LEU 33 17.343 0.828 2.731 65 H SER 34 HN SER 34 13.760 4.175 0.894 66 HA SER 34 HA SER 34 11.382 3.116 1.966 67 HB2 SER 34 HB2 SER 34 11.682 5.518 1.608 68 HB3 SER 34 HB1 SER 34 11.755 5.265 -0.136 69 HG SER 34 HG SER 34 9.536 4.693 1.541 70 H LEU 35 HN LEU 35 13.001 2.570 -0.998 71 HA LEU 35 HA LEU 35 10.888 1.863 -2.695 72 HB2 LEU 35 HB2 LEU 35 13.481 2.118 -3.075 73 HB3 LEU 35 HB1 LEU 35 13.499 0.397 -2.755 74 HG LEU 35 HG LEU 35 12.314 1.865 -5.079 75 HD11 LEU 35 HD11 LEU 35 13.487 -0.182 -6.155 76 HD12 LEU 35 HD12 LEU 35 14.285 -0.317 -4.584 77 HD13 LEU 35 HD13 LEU 35 14.458 1.157 -5.540 78 HD21 LEU 35 HD21 LEU 35 11.234 -0.252 -5.776 79 HD22 LEU 35 HD22 LEU 35 10.490 0.457 -4.344 80 HD23 LEU 35 HD23 LEU 35 11.576 -0.922 -4.181 81 H PHE 36 HN PHE 36 13.021 -0.292 -0.827 82 HA PHE 36 HA PHE 36 11.561 -2.639 -1.292 83 HB2 PHE 36 HB2 PHE 36 13.955 -2.374 -0.427 84 HB3 PHE 36 HB1 PHE 36 13.234 -2.134 1.162 85 HD1 PHE 36 HD1 PHE 36 13.701 -4.542 -1.582 86 HD2 PHE 36 HD2 PHE 36 12.355 -3.952 2.412 87 HE1 PHE 36 HE1 PHE 36 13.600 -6.979 -1.260 88 HE2 PHE 36 HE2 PHE 36 12.253 -6.388 2.742 89 HZ PHE 36 HZ PHE 36 12.877 -7.905 0.906 90 H SER 37 HN SER 37 10.981 -0.018 0.853 91 HA SER 37 HA SER 37 9.203 -1.591 2.552 92 HB2 SER 37 HB2 SER 37 10.655 0.025 3.666 93 HB3 SER 37 HB1 SER 37 9.994 1.329 2.680 94 HG SER 37 HG SER 37 8.205 1.327 3.841 95 H PHE 38 HN PHE 38 9.072 0.230 -0.280 96 HA PHE 38 HA PHE 38 6.462 1.346 0.016 97 HB2 PHE 38 HB2 PHE 38 8.181 2.227 -1.560 98 HB3 PHE 38 HB1 PHE 38 7.990 0.771 -2.531 99 HD1 PHE 38 HD1 PHE 38 6.093 0.470 -3.955 100 HD2 PHE 38 HD2 PHE 38 6.387 3.882 -1.430 101 HE1 PHE 38 HE1 PHE 38 4.247 1.535 -5.185 102 HE2 PHE 38 HE2 PHE 38 4.542 4.953 -2.654 103 HZ PHE 38 HZ PHE 38 3.469 3.779 -4.535 104 H LEU 39 HN LEU 39 7.763 -1.602 -1.425 105 HA LEU 39 HA LEU 39 5.408 -2.512 -2.648 106 HB2 LEU 39 HB2 LEU 39 7.842 -3.930 -1.600 107 HB3 LEU 39 HB1 LEU 39 6.516 -4.810 -2.337 108 HG LEU 39 HG LEU 39 6.885 -3.240 -4.356 109 HD11 LEU 39 HD11 LEU 39 8.307 -1.593 -3.601 110 HD12 LEU 39 HD12 LEU 39 9.427 -2.688 -4.414 111 HD13 LEU 39 HD13 LEU 39 9.275 -2.723 -2.655 112 HD21 LEU 39 HD21 LEU 39 7.388 -5.637 -4.355 113 HD22 LEU 39 HD22 LEU 39 8.959 -5.308 -3.626 114 HD23 LEU 39 HD23 LEU 39 8.602 -4.726 -5.252 115 H ILE 40 HN ILE 40 6.484 -2.606 0.660 116 HA ILE 40 HA ILE 40 4.510 -4.553 1.476 117 HB ILE 40 HB ILE 40 6.289 -2.797 3.173 118 HG12 ILE 40 HG12 ILE 40 6.638 -5.715 2.473 119 HG13 ILE 40 HG11 ILE 40 7.448 -4.412 1.609 120 HG21 ILE 40 HG21 ILE 40 4.678 -5.246 3.884 121 HG22 ILE 40 HG22 ILE 40 4.335 -3.591 4.388 122 HG23 ILE 40 HG23 ILE 40 5.793 -4.401 4.959 123 HD11 ILE 40 HD11 ILE 40 7.746 -5.015 4.542 124 HD12 ILE 40 HD12 ILE 40 8.588 -3.748 3.647 125 HD13 ILE 40 HD13 ILE 40 8.896 -5.445 3.275 126 H VAL 41 HN VAL 41 5.083 -1.099 2.160 127 HA VAL 41 HA VAL 41 2.715 -0.665 3.596 128 HB VAL 41 HB VAL 41 4.723 0.876 3.471 129 HG11 VAL 41 HG11 VAL 41 4.847 0.954 1.002 130 HG12 VAL 41 HG12 VAL 41 4.791 2.554 1.741 131 HG13 VAL 41 HG13 VAL 41 3.347 1.881 0.984 132 HG21 VAL 41 HG21 VAL 41 1.978 2.069 3.105 133 HG22 VAL 41 HG22 VAL 41 3.373 2.905 3.786 134 HG23 VAL 41 HG23 VAL 41 2.685 1.512 4.622 135 H ALA 42 HN ALA 42 3.279 -1.013 0.221 136 HA ALA 42 HA ALA 42 1.267 0.471 -0.947 137 HB1 ALA 42 HB1 ALA 42 2.158 -2.290 -1.771 138 HB2 ALA 42 HB2 ALA 42 2.973 -0.784 -2.193 139 HB3 ALA 42 HB3 ALA 42 1.345 -1.103 -2.791 140 H GLY 43 HN GLY 43 1.047 -2.830 0.366 141 HA2 GLY 43 HA2 GLY 43 -1.712 -3.151 -0.240 142 HA3 GLY 43 HA1 GLY 43 -0.777 -4.137 0.874 143 H ALA 44 HN ALA 44 -0.041 -1.586 2.349 144 HA ALA 44 HA ALA 44 -2.297 -1.656 4.156 145 HB1 ALA 44 HB1 ALA 44 0.016 -1.696 5.000 146 HB2 ALA 44 HB2 ALA 44 -0.911 -0.343 5.646 147 HB3 ALA 44 HB3 ALA 44 0.263 -0.073 4.356 148 H THR 45 HN THR 45 -0.978 0.478 1.749 149 HA THR 45 HA THR 45 -2.527 2.765 2.593 150 HB THR 45 HB THR 45 -1.676 3.845 0.546 151 HG1 THR 45 HG1 THR 45 -0.348 1.361 0.091 152 HG21 THR 45 HG21 THR 45 -0.322 3.875 2.601 153 HG22 THR 45 HG22 THR 45 0.684 3.871 1.153 154 HG23 THR 45 HG23 THR 45 0.477 2.389 2.085 155 H THR 46 HN THR 46 -2.855 0.110 0.380 156 HA THR 46 HA THR 46 -4.976 1.282 -1.164 157 HB THR 46 HB THR 46 -4.167 -1.626 -0.968 158 HG1 THR 46 HG1 THR 46 -3.413 -0.361 -3.234 159 HG21 THR 46 HG21 THR 46 -6.397 -1.287 -1.927 160 HG22 THR 46 HG22 THR 46 -5.253 -1.831 -3.154 161 HG23 THR 46 HG23 THR 46 -5.728 -0.134 -3.083 162 H LEU 47 HN LEU 47 -4.787 -1.190 1.387 163 HA LEU 47 HA LEU 47 -7.447 -1.920 1.520 164 HB2 LEU 47 HB2 LEU 47 -5.367 -2.763 2.829 165 HB3 LEU 47 HB1 LEU 47 -5.800 -1.538 4.002 166 HG LEU 47 HG LEU 47 -6.598 -3.838 4.553 167 HD11 LEU 47 HD11 LEU 47 -8.868 -1.911 4.132 168 HD12 LEU 47 HD12 LEU 47 -7.666 -1.743 5.410 169 HD13 LEU 47 HD13 LEU 47 -8.720 -3.156 5.370 170 HD21 LEU 47 HD21 LEU 47 -8.506 -4.750 3.359 171 HD22 LEU 47 HD22 LEU 47 -7.126 -4.563 2.275 172 HD23 LEU 47 HD23 LEU 47 -8.455 -3.406 2.219 173 H PHE 48 HN PHE 48 -5.859 0.929 2.823 174 HA PHE 48 HA PHE 48 -8.217 1.811 4.245 175 HB2 PHE 48 HB2 PHE 48 -6.002 2.262 5.171 176 HB3 PHE 48 HB1 PHE 48 -5.572 3.183 3.733 177 HD1 PHE 48 HD1 PHE 48 -6.247 5.442 3.471 178 HD2 PHE 48 HD2 PHE 48 -7.705 3.136 6.738 179 HE1 PHE 48 HE1 PHE 48 -7.120 7.488 4.521 180 HE2 PHE 48 HE2 PHE 48 -8.581 5.178 7.794 181 HZ PHE 48 HZ PHE 48 -8.279 7.360 6.690 182 H CYS 49 HN CYS 49 -6.241 3.260 1.652 183 HA CYS 49 HA CYS 49 -7.920 5.357 1.006 184 HB2 CYS 49 HB2 CYS 49 -5.626 5.134 0.164 185 HB3 CYS 49 HB1 CYS 49 -6.131 3.801 -0.869 186 HG CYS 49 HG CYS 49 -7.920 5.455 -2.353 187 H LEU 50 HN LEU 50 -7.902 2.092 -0.404 188 HA LEU 50 HA LEU 50 -9.733 2.380 -2.418 189 HB2 LEU 50 HB2 LEU 50 -8.425 0.298 -1.566 190 HB3 LEU 50 HB1 LEU 50 -9.875 -0.020 -0.633 191 HG LEU 50 HG LEU 50 -11.131 0.115 -2.861 192 HD11 LEU 50 HD11 LEU 50 -9.608 -0.555 -4.789 193 HD12 LEU 50 HD12 LEU 50 -8.279 0.042 -3.791 194 HD13 LEU 50 HD13 LEU 50 -9.573 1.136 -4.284 195 HD21 LEU 50 HD21 LEU 50 -10.591 -2.210 -3.407 196 HD22 LEU 50 HD22 LEU 50 -10.743 -1.976 -1.666 197 HD23 LEU 50 HD23 LEU 50 -9.146 -2.112 -2.401 198 H LEU 51 HN LEU 51 -10.359 2.254 1.023 199 HA LEU 51 HA LEU 51 -13.121 1.748 0.943 200 HB2 LEU 51 HB2 LEU 51 -11.588 3.385 2.963 201 HB3 LEU 51 HB1 LEU 51 -13.180 2.687 3.197 202 HG LEU 51 HG LEU 51 -10.647 1.101 2.769 203 HD11 LEU 51 HD11 LEU 51 -10.655 2.276 4.915 204 HD12 LEU 51 HD12 LEU 51 -10.824 0.533 5.126 205 HD13 LEU 51 HD13 LEU 51 -12.233 1.581 5.287 206 HD21 LEU 51 HD21 LEU 51 -12.650 -0.040 1.958 207 HD22 LEU 51 HD22 LEU 51 -13.433 0.219 3.517 208 HD23 LEU 51 HD23 LEU 51 -12.012 -0.819 3.407 209 H HIS 52 HN HIS 52 -11.479 4.884 1.413 210 HA HIS 52 HA HIS 52 -13.924 6.295 0.751 211 HB2 HIS 52 HB2 HIS 52 -11.186 7.403 1.406 212 HB3 HIS 52 HB1 HIS 52 -12.693 8.311 1.344 213 HD1 HIS 52 HD1 HIS 52 -10.515 6.675 3.668 214 HD2 HIS 52 HD2 HIS 52 -14.621 7.250 3.385 215 HE1 HIS 52 HE1 HIS 52 -11.411 6.276 5.984 216 HE2 HIS 52 HE2 HIS 52 -13.888 6.707 5.805 217 H PHE 53 HN PHE 53 -11.782 4.794 -1.103 218 HA PHE 53 HA PHE 53 -10.914 6.702 -2.979 219 HB2 PHE 53 HB2 PHE 53 -9.991 4.415 -2.807 220 HB3 PHE 53 HB1 PHE 53 -11.508 3.767 -3.420 221 HD1 PHE 53 HD1 PHE 53 -8.487 5.667 -4.269 222 HD2 PHE 53 HD2 PHE 53 -12.056 3.881 -5.749 223 HE1 PHE 53 HE1 PHE 53 -7.647 5.901 -6.569 224 HE2 PHE 53 HE2 PHE 53 -11.222 4.112 -8.052 225 HZ PHE 53 HZ PHE 53 -9.015 5.123 -8.465 226 H GLY 54 HN GLY 54 -13.967 5.119 -2.511 227 HA2 GLY 54 HA2 GLY 54 -16.013 5.831 -3.404 228 HA3 GLY 54 HA1 GLY 54 -15.137 6.778 -4.597 229 H VAL 55 HN VAL 55 -14.353 3.438 -4.032 230 HA VAL 55 HA VAL 55 -14.461 2.646 -6.672 231 HB VAL 55 HB VAL 55 -14.692 0.298 -5.782 232 HG11 VAL 55 HG11 VAL 55 -12.592 2.056 -4.516 233 HG12 VAL 55 HG12 VAL 55 -12.516 1.338 -6.125 234 HG13 VAL 55 HG13 VAL 55 -12.496 0.304 -4.697 235 HG21 VAL 55 HG21 VAL 55 -14.680 1.713 -3.116 236 HG22 VAL 55 HG22 VAL 55 -14.580 -0.030 -3.371 237 HG23 VAL 55 HG23 VAL 55 -16.048 0.843 -3.810 238 H ILE 56 HN ILE 56 -17.038 2.658 -4.271 239 HA ILE 56 HA ILE 56 -18.932 1.941 -6.412 240 HB ILE 56 HB ILE 56 -19.317 1.333 -3.486 241 HG12 ILE 56 HG12 ILE 56 -17.475 -0.021 -4.388 242 HG13 ILE 56 HG11 ILE 56 -18.887 -1.017 -4.055 243 HG21 ILE 56 HG21 ILE 56 -21.392 1.619 -4.669 244 HG22 ILE 56 HG22 ILE 56 -21.154 -0.095 -4.328 245 HG23 ILE 56 HG23 ILE 56 -20.855 0.533 -5.950 246 HD11 ILE 56 HD11 ILE 56 -19.446 -1.038 -6.419 247 HD12 ILE 56 HD12 ILE 56 -17.809 -1.637 -6.149 248 HD13 ILE 56 HD13 ILE 56 -18.060 -0.004 -6.766 249 H GLY 57 HN GLY 57 -19.476 4.020 -6.950 250 HA2 GLY 57 HA2 GLY 57 -21.418 5.307 -5.305 251 HA3 GLY 57 HA1 GLY 57 -19.899 6.191 -5.301 252 HA PRO 58 HA PRO 58 -20.729 8.179 -9.146 253 HB2 PRO 58 HB2 PRO 58 -18.442 6.870 -10.499 254 HB3 PRO 58 HB1 PRO 58 -18.763 8.587 -10.241 255 HG2 PRO 58 HG2 PRO 58 -16.871 7.318 -8.850 256 HG3 PRO 58 HG1 PRO 58 -17.881 8.568 -8.100 257 HD2 PRO 58 HD2 PRO 58 -18.062 5.590 -7.868 258 HD3 PRO 58 HD1 PRO 58 -18.286 6.834 -6.620 259 H GLN 59 HN GLN 59 -20.378 4.753 -9.131 260 HA GLN 59 HA GLN 59 -21.206 4.262 -11.819 261 HB2 GLN 59 HB2 GLN 59 -21.361 2.401 -9.441 262 HB3 GLN 59 HB1 GLN 59 -21.395 1.944 -11.139 263 HG2 GLN 59 HG2 GLN 59 -19.058 3.332 -9.862 264 HG3 GLN 59 HG1 GLN 59 -19.220 1.578 -9.933 265 HE21 GLN 59 HE21 GLN 59 -17.400 1.330 -11.203 266 HE22 GLN 59 HE22 GLN 59 -17.353 1.792 -12.866 267 H ARG 60 HN ARG 60 -22.841 5.403 -9.145 268 HA ARG 60 HA ARG 60 -25.426 4.439 -10.185 269 HB2 ARG 60 HB2 ARG 60 -24.938 3.586 -7.931 270 HB3 ARG 60 HB1 ARG 60 -24.726 5.231 -7.351 271 HG2 ARG 60 HG2 ARG 60 -27.067 5.712 -7.833 272 HG3 ARG 60 HG1 ARG 60 -27.284 4.066 -8.435 273 HD2 ARG 60 HD2 ARG 60 -26.501 4.845 -5.628 274 HD3 ARG 60 HD1 ARG 60 -28.091 4.282 -6.141 275 HE ARG 60 HE ARG 60 -26.503 2.260 -6.910 276 HH11 ARG 60 HH11 ARG 60 -26.769 3.997 -3.899 277 HH12 ARG 60 HH12 ARG 60 -26.294 2.643 -2.929 278 HH21 ARG 60 HH21 ARG 60 -25.879 0.473 -5.640 279 HH22 ARG 60 HH22 ARG 60 -25.785 0.641 -3.918 Start of MODEL 18 1 H1 ARG 28 HT1 ARG 28 26.447 3.963 1.354 2 H2 ARG 28 HT2 ARG 28 26.426 2.488 2.181 3 H3 ARG 28 HT3 ARG 28 27.251 3.811 2.835 4 HA ARG 28 HA ARG 28 25.166 3.468 3.980 5 HB2 ARG 28 HB2 ARG 28 24.366 5.720 3.876 6 HB3 ARG 28 HB1 ARG 28 26.101 5.778 3.598 7 HG2 ARG 28 HG2 ARG 28 25.875 6.517 1.477 8 HG3 ARG 28 HG1 ARG 28 24.412 5.579 1.186 9 HD2 ARG 28 HD2 ARG 28 24.670 8.205 2.636 10 HD3 ARG 28 HD1 ARG 28 23.796 7.876 1.139 11 HE ARG 28 HE ARG 28 22.848 6.387 3.419 12 HH11 ARG 28 HH11 ARG 28 22.582 9.337 1.583 13 HH12 ARG 28 HH12 ARG 28 20.977 9.687 2.132 14 HH21 ARG 28 HH21 ARG 28 20.731 6.845 4.150 15 HH22 ARG 28 HH22 ARG 28 19.927 8.272 3.590 16 H ARG 29 HN ARG 29 22.812 3.701 3.882 17 HA ARG 29 HA ARG 29 21.761 2.664 1.340 18 HB2 ARG 29 HB2 ARG 29 20.406 2.614 4.040 19 HB3 ARG 29 HB1 ARG 29 19.956 1.709 2.599 20 HG2 ARG 29 HG2 ARG 29 22.017 0.414 2.760 21 HG3 ARG 29 HG1 ARG 29 22.479 1.326 4.198 22 HD2 ARG 29 HD2 ARG 29 20.362 0.531 5.271 23 HD3 ARG 29 HD1 ARG 29 20.121 -0.520 3.877 24 HE ARG 29 HE ARG 29 22.590 -0.742 5.443 25 HH11 ARG 29 HH11 ARG 29 19.587 -2.105 4.324 26 HH12 ARG 29 HH12 ARG 29 19.964 -3.707 4.864 27 HH21 ARG 29 HH21 ARG 29 23.096 -2.847 6.156 28 HH22 ARG 29 HH22 ARG 29 21.961 -4.128 5.903 29 H CYS 30 HN CYS 30 20.718 4.075 0.107 30 HA CYS 30 HA CYS 30 19.683 6.516 1.336 31 HB2 CYS 30 HB2 CYS 30 19.612 7.363 -1.030 32 HB3 CYS 30 HB1 CYS 30 21.218 6.957 -0.437 33 HG CYS 30 HG CYS 30 21.006 4.331 -1.717 34 H LEU 31 HN LEU 31 18.051 7.019 -1.087 35 HA LEU 31 HA LEU 31 15.561 6.518 -0.200 36 HB2 LEU 31 HB2 LEU 31 14.878 6.534 -2.698 37 HB3 LEU 31 HB1 LEU 31 15.579 7.959 -1.968 38 HG LEU 31 HG LEU 31 16.354 7.318 -4.315 39 HD11 LEU 31 HD11 LEU 31 17.567 8.724 -2.358 40 HD12 LEU 31 HD12 LEU 31 18.204 8.540 -3.991 41 HD13 LEU 31 HD13 LEU 31 18.798 7.504 -2.694 42 HD21 LEU 31 HD21 LEU 31 17.922 5.279 -2.751 43 HD22 LEU 31 HD22 LEU 31 18.173 5.696 -4.447 44 HD23 LEU 31 HD23 LEU 31 16.663 4.939 -3.938 45 H PHE 32 HN PHE 32 17.638 4.107 -1.538 46 HA PHE 32 HA PHE 32 15.745 2.282 -2.505 47 HB2 PHE 32 HB2 PHE 32 18.449 1.806 -1.240 48 HB3 PHE 32 HB1 PHE 32 17.493 0.540 -2.001 49 HD1 PHE 32 HD1 PHE 32 16.628 1.253 -4.451 50 HD2 PHE 32 HD2 PHE 32 20.113 2.732 -2.506 51 HE1 PHE 32 HE1 PHE 32 17.601 1.827 -6.637 52 HE2 PHE 32 HE2 PHE 32 21.090 3.309 -4.688 53 HZ PHE 32 HZ PHE 32 19.831 2.866 -6.757 54 H LEU 33 HN LEU 33 16.421 3.304 0.666 55 HA LEU 33 HA LEU 33 15.659 1.018 2.136 56 HB2 LEU 33 HB2 LEU 33 16.687 3.487 2.738 57 HB3 LEU 33 HB1 LEU 33 15.042 3.633 3.330 58 HG LEU 33 HG LEU 33 16.480 2.935 5.132 59 HD11 LEU 33 HD11 LEU 33 14.221 2.019 5.109 60 HD12 LEU 33 HD12 LEU 33 15.363 0.883 5.827 61 HD13 LEU 33 HD13 LEU 33 14.787 0.631 4.179 62 HD21 LEU 33 HD21 LEU 33 17.727 0.842 5.062 63 HD22 LEU 33 HD22 LEU 33 18.264 1.946 3.794 64 HD23 LEU 33 HD23 LEU 33 17.215 0.586 3.394 65 H SER 34 HN SER 34 13.874 3.914 1.121 66 HA SER 34 HA SER 34 11.375 2.917 2.143 67 HB2 SER 34 HB2 SER 34 10.412 4.946 1.117 68 HB3 SER 34 HB1 SER 34 11.818 5.326 2.111 69 HG SER 34 HG SER 34 12.343 4.799 -0.552 70 H LEU 35 HN LEU 35 13.107 2.834 -0.853 71 HA LEU 35 HA LEU 35 10.995 2.338 -2.634 72 HB2 LEU 35 HB2 LEU 35 13.339 2.903 -3.272 73 HB3 LEU 35 HB1 LEU 35 13.830 1.297 -2.773 74 HG LEU 35 HG LEU 35 13.484 1.768 -5.280 75 HD11 LEU 35 HD11 LEU 35 13.691 -0.450 -3.949 76 HD12 LEU 35 HD12 LEU 35 13.174 -0.476 -5.636 77 HD13 LEU 35 HD13 LEU 35 11.982 -0.629 -4.344 78 HD21 LEU 35 HD21 LEU 35 11.242 1.432 -6.122 79 HD22 LEU 35 HD22 LEU 35 11.272 2.830 -5.047 80 HD23 LEU 35 HD23 LEU 35 10.613 1.295 -4.479 81 H PHE 36 HN PHE 36 12.748 0.262 -0.428 82 HA PHE 36 HA PHE 36 11.614 -2.171 -1.486 83 HB2 PHE 36 HB2 PHE 36 13.862 -2.131 -0.451 84 HB3 PHE 36 HB1 PHE 36 13.128 -1.709 1.093 85 HD1 PHE 36 HD1 PHE 36 13.043 -4.325 -1.549 86 HD2 PHE 36 HD2 PHE 36 12.526 -3.384 2.569 87 HE1 PHE 36 HE1 PHE 36 12.760 -6.716 -1.043 88 HE2 PHE 36 HE2 PHE 36 12.242 -5.774 3.082 89 HZ PHE 36 HZ PHE 36 12.360 -7.442 1.276 90 H SER 37 HN SER 37 11.058 -0.042 1.276 91 HA SER 37 HA SER 37 9.005 -1.735 2.383 92 HB2 SER 37 HB2 SER 37 8.673 0.105 3.996 93 HB3 SER 37 HB1 SER 37 10.374 -0.342 3.867 94 HG SER 37 HG SER 37 9.174 1.807 2.458 95 H PHE 38 HN PHE 38 9.099 0.159 -0.275 96 HA PHE 38 HA PHE 38 6.561 1.490 -0.045 97 HB2 PHE 38 HB2 PHE 38 8.394 2.378 -1.457 98 HB3 PHE 38 HB1 PHE 38 8.255 0.967 -2.500 99 HD1 PHE 38 HD1 PHE 38 6.737 0.937 -4.266 100 HD2 PHE 38 HD2 PHE 38 6.385 3.910 -1.243 101 HE1 PHE 38 HE1 PHE 38 5.034 2.095 -5.611 102 HE2 PHE 38 HE2 PHE 38 4.680 5.075 -2.581 103 HZ PHE 38 HZ PHE 38 4.011 4.174 -4.772 104 H LEU 39 HN LEU 39 7.787 -1.445 -1.576 105 HA LEU 39 HA LEU 39 5.379 -2.127 -2.912 106 HB2 LEU 39 HB2 LEU 39 7.829 -3.676 -2.127 107 HB3 LEU 39 HB1 LEU 39 6.461 -4.469 -2.887 108 HG LEU 39 HG LEU 39 6.758 -2.679 -4.740 109 HD11 LEU 39 HD11 LEU 39 9.285 -2.457 -3.160 110 HD12 LEU 39 HD12 LEU 39 8.263 -1.173 -3.809 111 HD13 LEU 39 HD13 LEU 39 9.268 -2.135 -4.895 112 HD21 LEU 39 HD21 LEU 39 8.793 -4.873 -4.342 113 HD22 LEU 39 HD22 LEU 39 8.400 -4.094 -5.875 114 HD23 LEU 39 HD23 LEU 39 7.186 -5.066 -5.044 115 H ILE 40 HN ILE 40 6.609 -2.703 0.308 116 HA ILE 40 HA ILE 40 4.605 -4.660 0.973 117 HB ILE 40 HB ILE 40 6.452 -3.119 2.802 118 HG12 ILE 40 HG12 ILE 40 6.732 -5.937 1.740 119 HG13 ILE 40 HG11 ILE 40 7.587 -4.546 1.076 120 HG21 ILE 40 HG21 ILE 40 5.963 -4.868 4.432 121 HG22 ILE 40 HG22 ILE 40 4.854 -5.631 3.292 122 HG23 ILE 40 HG23 ILE 40 4.488 -4.034 3.945 123 HD11 ILE 40 HD11 ILE 40 9.011 -5.811 2.569 124 HD12 ILE 40 HD12 ILE 40 7.843 -5.618 3.877 125 HD13 ILE 40 HD13 ILE 40 8.688 -4.210 3.234 126 H VAL 41 HN VAL 41 5.228 -1.273 1.905 127 HA VAL 41 HA VAL 41 2.920 -0.970 3.482 128 HB VAL 41 HB VAL 41 4.951 0.576 3.386 129 HG11 VAL 41 HG11 VAL 41 4.891 2.431 1.854 130 HG12 VAL 41 HG12 VAL 41 3.387 1.845 1.143 131 HG13 VAL 41 HG13 VAL 41 4.878 0.926 0.934 132 HG21 VAL 41 HG21 VAL 41 2.192 1.794 3.350 133 HG22 VAL 41 HG22 VAL 41 3.633 2.530 4.049 134 HG23 VAL 41 HG23 VAL 41 2.980 1.045 4.739 135 H ALA 42 HN ALA 42 3.369 -1.007 0.067 136 HA ALA 42 HA ALA 42 1.256 0.557 -0.836 137 HB1 ALA 42 HB1 ALA 42 2.301 -2.003 -2.043 138 HB2 ALA 42 HB2 ALA 42 2.948 -0.385 -2.321 139 HB3 ALA 42 HB3 ALA 42 1.323 -0.792 -2.872 140 H GLY 43 HN GLY 43 1.267 -2.894 0.033 141 HA2 GLY 43 HA2 GLY 43 -1.448 -3.375 -0.549 142 HA3 GLY 43 HA1 GLY 43 -0.450 -4.335 0.533 143 H ALA 44 HN ALA 44 0.081 -1.825 2.134 144 HA ALA 44 HA ALA 44 -2.175 -2.136 3.912 145 HB1 ALA 44 HB1 ALA 44 0.259 -0.375 4.184 146 HB2 ALA 44 HB2 ALA 44 0.119 -2.028 4.783 147 HB3 ALA 44 HB3 ALA 44 -0.904 -0.757 5.454 148 H THR 45 HN THR 45 -0.766 0.435 1.927 149 HA THR 45 HA THR 45 -2.562 2.472 2.735 150 HB THR 45 HB THR 45 -1.791 3.714 0.771 151 HG1 THR 45 HG1 THR 45 0.028 1.914 -0.137 152 HG21 THR 45 HG21 THR 45 0.577 3.799 1.285 153 HG22 THR 45 HG22 THR 45 0.494 2.218 2.063 154 HG23 THR 45 HG23 THR 45 -0.345 3.597 2.776 155 H THR 46 HN THR 46 -2.787 -0.159 0.521 156 HA THR 46 HA THR 46 -4.792 0.797 -1.203 157 HB THR 46 HB THR 46 -4.314 -2.060 -0.327 158 HG1 THR 46 HG1 THR 46 -2.820 -0.377 -1.808 159 HG21 THR 46 HG21 THR 46 -5.357 -2.648 -2.470 160 HG22 THR 46 HG22 THR 46 -5.679 -0.942 -2.780 161 HG23 THR 46 HG23 THR 46 -6.473 -1.758 -1.434 162 H LEU 47 HN LEU 47 -5.050 -1.222 1.721 163 HA LEU 47 HA LEU 47 -7.822 -1.436 1.808 164 HB2 LEU 47 HB2 LEU 47 -6.129 -2.690 3.190 165 HB3 LEU 47 HB1 LEU 47 -5.981 -1.266 4.195 166 HG LEU 47 HG LEU 47 -7.459 -3.159 5.049 167 HD11 LEU 47 HD11 LEU 47 -8.752 -0.447 4.844 168 HD12 LEU 47 HD12 LEU 47 -7.439 -0.850 5.949 169 HD13 LEU 47 HD13 LEU 47 -8.998 -1.659 6.101 170 HD21 LEU 47 HD21 LEU 47 -9.744 -3.230 4.241 171 HD22 LEU 47 HD22 LEU 47 -8.621 -3.606 2.934 172 HD23 LEU 47 HD23 LEU 47 -9.373 -2.014 3.019 173 H PHE 48 HN PHE 48 -5.701 1.072 3.116 174 HA PHE 48 HA PHE 48 -7.666 2.505 4.535 175 HB2 PHE 48 HB2 PHE 48 -5.271 2.840 4.909 176 HB3 PHE 48 HB1 PHE 48 -5.092 3.491 3.284 177 HD1 PHE 48 HD1 PHE 48 -5.579 5.751 2.809 178 HD2 PHE 48 HD2 PHE 48 -6.577 4.108 6.606 179 HE1 PHE 48 HE1 PHE 48 -6.043 8.013 3.662 180 HE2 PHE 48 HE2 PHE 48 -7.044 6.366 7.465 181 HZ PHE 48 HZ PHE 48 -6.764 8.321 5.998 182 H CYS 49 HN CYS 49 -6.227 3.223 1.348 183 HA CYS 49 HA CYS 49 -8.016 5.322 0.744 184 HB2 CYS 49 HB2 CYS 49 -5.818 5.072 -0.334 185 HB3 CYS 49 HB1 CYS 49 -6.385 3.615 -1.144 186 HG CYS 49 HG CYS 49 -6.475 6.621 -2.261 187 H LEU 50 HN LEU 50 -8.301 1.892 0.491 188 HA LEU 50 HA LEU 50 -10.147 1.632 -1.583 189 HB2 LEU 50 HB2 LEU 50 -8.914 -0.128 -0.033 190 HB3 LEU 50 HB1 LEU 50 -10.432 -0.074 0.844 191 HG LEU 50 HG LEU 50 -11.569 -0.609 -1.367 192 HD11 LEU 50 HD11 LEU 50 -9.966 -1.872 -2.922 193 HD12 LEU 50 HD12 LEU 50 -8.689 -0.959 -2.115 194 HD13 LEU 50 HD13 LEU 50 -9.967 -0.110 -2.985 195 HD21 LEU 50 HD21 LEU 50 -9.665 -2.647 -0.216 196 HD22 LEU 50 HD22 LEU 50 -11.110 -2.992 -1.166 197 HD23 LEU 50 HD23 LEU 50 -11.258 -2.249 0.427 198 H LEU 51 HN LEU 51 -10.524 2.895 1.604 199 HA LEU 51 HA LEU 51 -13.354 2.567 1.796 200 HB2 LEU 51 HB2 LEU 51 -11.583 4.544 3.235 201 HB3 LEU 51 HB1 LEU 51 -13.204 4.067 3.703 202 HG LEU 51 HG LEU 51 -10.802 2.236 3.667 203 HD11 LEU 51 HD11 LEU 51 -10.632 3.948 5.400 204 HD12 LEU 51 HD12 LEU 51 -10.925 2.355 6.098 205 HD13 LEU 51 HD13 LEU 51 -12.241 3.522 5.982 206 HD21 LEU 51 HD21 LEU 51 -12.915 1.070 3.258 207 HD22 LEU 51 HD22 LEU 51 -13.600 1.799 4.709 208 HD23 LEU 51 HD23 LEU 51 -12.253 0.669 4.842 209 H HIS 52 HN HIS 52 -11.215 5.012 0.510 210 HA HIS 52 HA HIS 52 -13.101 7.102 0.281 211 HB2 HIS 52 HB2 HIS 52 -10.591 6.576 -1.322 212 HB3 HIS 52 HB1 HIS 52 -11.493 8.087 -1.324 213 HD1 HIS 52 HD1 HIS 52 -8.517 6.931 -0.032 214 HD2 HIS 52 HD2 HIS 52 -11.775 8.811 1.737 215 HE1 HIS 52 HE1 HIS 52 -7.634 7.953 2.089 216 HE2 HIS 52 HE2 HIS 52 -9.623 9.080 3.148 217 H PHE 53 HN PHE 53 -12.156 4.479 -1.887 218 HA PHE 53 HA PHE 53 -13.554 5.354 -4.163 219 HB2 PHE 53 HB2 PHE 53 -12.737 2.594 -3.259 220 HB3 PHE 53 HB1 PHE 53 -13.494 2.906 -4.816 221 HD1 PHE 53 HD1 PHE 53 -10.453 3.114 -2.862 222 HD2 PHE 53 HD2 PHE 53 -12.316 4.237 -6.518 223 HE1 PHE 53 HE1 PHE 53 -8.247 3.625 -3.825 224 HE2 PHE 53 HE2 PHE 53 -10.114 4.749 -7.488 225 HZ PHE 53 HZ PHE 53 -8.075 4.443 -6.141 226 H GLY 54 HN GLY 54 -14.662 4.032 -1.208 227 HA2 GLY 54 HA2 GLY 54 -16.799 3.681 -0.433 228 HA3 GLY 54 HA1 GLY 54 -17.391 4.389 -1.928 229 H VAL 55 HN VAL 55 -15.242 1.671 -2.051 230 HA VAL 55 HA VAL 55 -16.937 0.125 -3.639 231 HB VAL 55 HB VAL 55 -15.416 -1.767 -3.156 232 HG11 VAL 55 HG11 VAL 55 -13.389 -0.735 -4.081 233 HG12 VAL 55 HG12 VAL 55 -14.047 0.861 -3.719 234 HG13 VAL 55 HG13 VAL 55 -14.847 -0.174 -4.900 235 HG21 VAL 55 HG21 VAL 55 -14.177 0.166 -1.201 236 HG22 VAL 55 HG22 VAL 55 -13.428 -1.339 -1.735 237 HG23 VAL 55 HG23 VAL 55 -14.941 -1.379 -0.829 238 H ILE 56 HN ILE 56 -16.914 0.570 -0.237 239 HA ILE 56 HA ILE 56 -18.685 -1.760 0.113 240 HB ILE 56 HB ILE 56 -17.187 -0.275 2.274 241 HG12 ILE 56 HG12 ILE 56 -15.602 -1.425 0.823 242 HG13 ILE 56 HG11 ILE 56 -15.724 -2.268 2.362 243 HG21 ILE 56 HG21 ILE 56 -17.795 -2.225 3.656 244 HG22 ILE 56 HG22 ILE 56 -18.753 -2.852 2.316 245 HG23 ILE 56 HG23 ILE 56 -19.203 -1.330 3.086 246 HD11 ILE 56 HD11 ILE 56 -17.190 -3.928 1.326 247 HD12 ILE 56 HD12 ILE 56 -15.625 -3.834 0.519 248 HD13 ILE 56 HD13 ILE 56 -17.043 -3.087 -0.216 249 H GLY 57 HN GLY 57 -20.754 -1.182 0.036 250 HA2 GLY 57 HA2 GLY 57 -21.976 0.483 1.900 251 HA3 GLY 57 HA1 GLY 57 -21.693 1.456 0.465 252 HA PRO 58 HA PRO 58 -25.433 -0.230 -1.179 253 HB2 PRO 58 HB2 PRO 58 -25.113 0.157 -3.814 254 HB3 PRO 58 HB1 PRO 58 -25.279 1.513 -2.692 255 HG2 PRO 58 HG2 PRO 58 -22.811 0.382 -3.949 256 HG3 PRO 58 HG1 PRO 58 -23.258 2.077 -3.686 257 HD2 PRO 58 HD2 PRO 58 -21.545 0.655 -2.068 258 HD3 PRO 58 HD1 PRO 58 -22.477 2.068 -1.537 259 H GLN 59 HN GLN 59 -24.846 -2.438 -0.475 260 HA GLN 59 HA GLN 59 -24.000 -4.161 -2.708 261 HB2 GLN 59 HB2 GLN 59 -24.015 -4.764 0.255 262 HB3 GLN 59 HB1 GLN 59 -23.436 -5.838 -1.010 263 HG2 GLN 59 HG2 GLN 59 -21.647 -4.315 -1.544 264 HG3 GLN 59 HG1 GLN 59 -22.264 -3.137 -0.387 265 HE21 GLN 59 HE21 GLN 59 -19.662 -4.474 -0.530 266 HE22 GLN 59 HE22 GLN 59 -19.456 -5.266 0.991 267 H ARG 60 HN ARG 60 -24.984 -6.442 -2.522 268 HA ARG 60 HA ARG 60 -27.882 -6.108 -2.391 269 HB2 ARG 60 HB2 ARG 60 -26.134 -8.264 -3.577 270 HB3 ARG 60 HB1 ARG 60 -27.888 -8.367 -3.522 271 HG2 ARG 60 HG2 ARG 60 -28.071 -6.374 -4.898 272 HG3 ARG 60 HG1 ARG 60 -26.314 -6.209 -4.914 273 HD2 ARG 60 HD2 ARG 60 -27.812 -8.603 -5.970 274 HD3 ARG 60 HD1 ARG 60 -27.255 -7.259 -6.967 275 HE ARG 60 HE ARG 60 -24.974 -7.975 -5.855 276 HH11 ARG 60 HH11 ARG 60 -27.507 -9.988 -7.148 277 HH12 ARG 60 HH12 ARG 60 -26.431 -11.260 -7.621 278 HH21 ARG 60 HH21 ARG 60 -23.549 -9.642 -6.477 279 HH22 ARG 60 HH22 ARG 60 -24.180 -11.064 -7.240 Start of MODEL 19 1 H1 ARG 28 HT1 ARG 28 24.334 -5.813 4.713 2 H2 ARG 28 HT2 ARG 28 25.998 -5.583 4.906 3 H3 ARG 28 HT3 ARG 28 25.324 -5.617 3.356 4 HA ARG 28 HA ARG 28 24.786 -3.569 5.428 5 HB2 ARG 28 HB2 ARG 28 27.056 -3.429 4.454 6 HB3 ARG 28 HB1 ARG 28 26.351 -3.375 2.844 7 HG2 ARG 28 HG2 ARG 28 25.051 -1.315 3.954 8 HG3 ARG 28 HG1 ARG 28 26.534 -1.274 4.909 9 HD2 ARG 28 HD2 ARG 28 27.667 -1.506 2.542 10 HD3 ARG 28 HD1 ARG 28 26.134 -0.826 1.987 11 HE ARG 28 HE ARG 28 26.611 1.049 3.566 12 HH11 ARG 28 HH11 ARG 28 29.195 -0.901 2.272 13 HH12 ARG 28 HH12 ARG 28 30.388 0.345 2.432 14 HH21 ARG 28 HH21 ARG 28 28.178 2.695 3.779 15 HH22 ARG 28 HH22 ARG 28 29.810 2.387 3.288 16 H ARG 29 HN ARG 29 22.630 -3.207 5.213 17 HA ARG 29 HA ARG 29 21.291 -3.379 2.689 18 HB2 ARG 29 HB2 ARG 29 20.255 -1.977 5.153 19 HB3 ARG 29 HB1 ARG 29 19.323 -2.712 3.855 20 HG2 ARG 29 HG2 ARG 29 21.033 -4.208 5.833 21 HG3 ARG 29 HG1 ARG 29 19.278 -4.040 5.913 22 HD2 ARG 29 HD2 ARG 29 19.062 -5.204 3.779 23 HD3 ARG 29 HD1 ARG 29 20.816 -5.348 3.669 24 HE ARG 29 HE ARG 29 20.159 -6.515 6.057 25 HH11 ARG 29 HH11 ARG 29 19.248 -6.995 2.726 26 HH12 ARG 29 HH12 ARG 29 18.964 -8.693 2.916 27 HH21 ARG 29 HH21 ARG 29 19.787 -8.748 6.314 28 HH22 ARG 29 HH22 ARG 29 19.268 -9.689 4.955 29 H CYS 30 HN CYS 30 21.400 -1.902 1.134 30 HA CYS 30 HA CYS 30 22.228 0.816 1.833 31 HB2 CYS 30 HB2 CYS 30 22.175 -0.561 -0.860 32 HB3 CYS 30 HB1 CYS 30 22.798 1.056 -0.550 33 HG CYS 30 HG CYS 30 24.536 -1.550 -0.693 34 H LEU 31 HN LEU 31 21.298 1.779 -0.802 35 HA LEU 31 HA LEU 31 18.977 3.062 -0.108 36 HB2 LEU 31 HB2 LEU 31 19.816 2.282 -2.895 37 HB3 LEU 31 HB1 LEU 31 18.741 3.598 -2.458 38 HG LEU 31 HG LEU 31 20.908 4.315 -1.036 39 HD11 LEU 31 HD11 LEU 31 21.875 2.541 -3.220 40 HD12 LEU 31 HD12 LEU 31 22.528 2.798 -1.600 41 HD13 LEU 31 HD13 LEU 31 22.782 4.007 -2.858 42 HD21 LEU 31 HD21 LEU 31 20.452 4.897 -3.952 43 HD22 LEU 31 HD22 LEU 31 21.382 5.884 -2.824 44 HD23 LEU 31 HD23 LEU 31 19.644 5.686 -2.599 45 H PHE 32 HN PHE 32 19.370 -0.186 -1.225 46 HA PHE 32 HA PHE 32 16.865 -0.721 -2.326 47 HB2 PHE 32 HB2 PHE 32 18.601 -2.557 -0.657 48 HB3 PHE 32 HB1 PHE 32 17.279 -3.072 -1.700 49 HD1 PHE 32 HD1 PHE 32 17.527 -3.121 -4.093 50 HD2 PHE 32 HD2 PHE 32 20.699 -1.775 -1.594 51 HE1 PHE 32 HE1 PHE 32 19.089 -3.295 -5.987 52 HE2 PHE 32 HE2 PHE 32 22.266 -1.945 -3.485 53 HZ PHE 32 HZ PHE 32 21.461 -2.706 -5.685 54 H LEU 33 HN LEU 33 17.759 0.038 0.852 55 HA LEU 33 HA LEU 33 15.846 -1.274 2.400 56 HB2 LEU 33 HB2 LEU 33 17.909 0.280 2.989 57 HB3 LEU 33 HB1 LEU 33 16.667 1.517 3.056 58 HG LEU 33 HG LEU 33 15.445 -0.041 4.688 59 HD11 LEU 33 HD11 LEU 33 18.206 -1.241 4.798 60 HD12 LEU 33 HD12 LEU 33 16.742 -2.047 4.233 61 HD13 LEU 33 HD13 LEU 33 16.892 -1.576 5.927 62 HD21 LEU 33 HD21 LEU 33 16.749 0.801 6.577 63 HD22 LEU 33 HD22 LEU 33 16.515 2.047 5.352 64 HD23 LEU 33 HD23 LEU 33 18.067 1.220 5.483 65 H SER 34 HN SER 34 15.750 1.997 0.997 66 HA SER 34 HA SER 34 13.220 2.737 1.875 67 HB2 SER 34 HB2 SER 34 14.611 3.527 -0.695 68 HB3 SER 34 HB1 SER 34 13.244 4.374 0.027 69 HG SER 34 HG SER 34 15.375 5.246 0.526 70 H LEU 35 HN LEU 35 14.086 1.376 -1.305 71 HA LEU 35 HA LEU 35 11.528 1.193 -2.370 72 HB2 LEU 35 HB2 LEU 35 13.570 -0.943 -2.872 73 HB3 LEU 35 HB1 LEU 35 12.419 -0.234 -3.989 74 HG LEU 35 HG LEU 35 14.552 1.522 -2.882 75 HD11 LEU 35 HD11 LEU 35 15.480 -0.773 -3.637 76 HD12 LEU 35 HD12 LEU 35 16.238 0.706 -4.236 77 HD13 LEU 35 HD13 LEU 35 15.118 -0.192 -5.265 78 HD21 LEU 35 HD21 LEU 35 13.241 1.264 -5.587 79 HD22 LEU 35 HD22 LEU 35 14.387 2.515 -5.106 80 HD23 LEU 35 HD23 LEU 35 12.803 2.426 -4.334 81 H PHE 36 HN PHE 36 13.369 -1.302 -0.648 82 HA PHE 36 HA PHE 36 11.340 -3.246 -0.632 83 HB2 PHE 36 HB2 PHE 36 13.878 -3.449 -0.142 84 HB3 PHE 36 HB1 PHE 36 13.436 -3.033 1.511 85 HD1 PHE 36 HD1 PHE 36 12.946 -5.518 -1.175 86 HD2 PHE 36 HD2 PHE 36 12.463 -4.621 2.957 87 HE1 PHE 36 HE1 PHE 36 12.385 -7.872 -0.733 88 HE2 PHE 36 HE2 PHE 36 11.903 -6.974 3.406 89 HZ PHE 36 HZ PHE 36 11.875 -8.608 1.553 90 H SER 37 HN SER 37 11.429 -0.306 0.902 91 HA SER 37 HA SER 37 9.709 -1.214 3.112 92 HB2 SER 37 HB2 SER 37 11.700 0.020 3.842 93 HB3 SER 37 HB1 SER 37 11.249 1.377 2.809 94 HG SER 37 HG SER 37 9.896 2.016 4.281 95 H PHE 38 HN PHE 38 9.733 0.435 0.139 96 HA PHE 38 HA PHE 38 7.482 2.152 0.636 97 HB2 PHE 38 HB2 PHE 38 9.152 1.446 -1.736 98 HB3 PHE 38 HB1 PHE 38 7.548 2.112 -2.028 99 HD1 PHE 38 HD1 PHE 38 10.923 2.889 -1.515 100 HD2 PHE 38 HD2 PHE 38 6.997 4.292 -0.661 101 HE1 PHE 38 HE1 PHE 38 11.811 5.158 -1.179 102 HE2 PHE 38 HE2 PHE 38 7.877 6.564 -0.326 103 HZ PHE 38 HZ PHE 38 10.287 7.000 -0.585 104 H LEU 39 HN LEU 39 7.982 -1.038 -0.783 105 HA LEU 39 HA LEU 39 5.447 -1.414 -1.897 106 HB2 LEU 39 HB2 LEU 39 7.529 -3.280 -0.825 107 HB3 LEU 39 HB1 LEU 39 5.972 -3.910 -1.334 108 HG LEU 39 HG LEU 39 6.463 -2.694 -3.566 109 HD11 LEU 39 HD11 LEU 39 9.034 -2.752 -3.901 110 HD12 LEU 39 HD12 LEU 39 9.081 -2.586 -2.143 111 HD13 LEU 39 HD13 LEU 39 8.288 -1.354 -3.125 112 HD21 LEU 39 HD21 LEU 39 7.692 -4.631 -4.392 113 HD22 LEU 39 HD22 LEU 39 6.415 -5.130 -3.281 114 HD23 LEU 39 HD23 LEU 39 8.093 -5.097 -2.739 115 H ILE 40 HN ILE 40 6.411 -1.187 1.354 116 HA ILE 40 HA ILE 40 4.376 -2.782 2.546 117 HB ILE 40 HB ILE 40 6.161 -0.603 3.627 118 HG12 ILE 40 HG12 ILE 40 7.188 -2.428 4.879 119 HG13 ILE 40 HG11 ILE 40 6.000 -3.560 4.248 120 HG21 ILE 40 HG21 ILE 40 4.073 -0.454 4.850 121 HG22 ILE 40 HG22 ILE 40 5.326 -1.163 5.871 122 HG23 ILE 40 HG23 ILE 40 4.098 -2.195 5.139 123 HD11 ILE 40 HD11 ILE 40 6.911 -3.328 2.028 124 HD12 ILE 40 HD12 ILE 40 8.200 -3.738 3.161 125 HD13 ILE 40 HD13 ILE 40 8.026 -2.079 2.585 126 H VAL 41 HN VAL 41 4.679 0.649 1.740 127 HA VAL 41 HA VAL 41 2.075 1.265 2.840 128 HB VAL 41 HB VAL 41 4.188 2.819 2.689 129 HG11 VAL 41 HG11 VAL 41 2.821 3.513 0.095 130 HG12 VAL 41 HG12 VAL 41 4.349 2.640 0.219 131 HG13 VAL 41 HG13 VAL 41 4.233 4.299 0.804 132 HG21 VAL 41 HG21 VAL 41 2.733 4.778 2.802 133 HG22 VAL 41 HG22 VAL 41 2.057 3.428 3.715 134 HG23 VAL 41 HG23 VAL 41 1.403 3.836 2.128 135 H ALA 42 HN ALA 42 3.454 0.435 -0.230 136 HA ALA 42 HA ALA 42 1.548 1.498 -1.976 137 HB1 ALA 42 HB1 ALA 42 3.689 0.545 -2.707 138 HB2 ALA 42 HB2 ALA 42 2.327 -0.153 -3.582 139 HB3 ALA 42 HB3 ALA 42 3.107 -1.067 -2.291 140 H GLY 43 HN GLY 43 1.556 -1.487 -0.103 141 HA2 GLY 43 HA2 GLY 43 -0.904 -2.428 -1.304 142 HA3 GLY 43 HA1 GLY 43 -0.023 -3.192 0.010 143 H ALA 44 HN ALA 44 -0.008 -0.471 1.385 144 HA ALA 44 HA ALA 44 -2.463 -0.899 2.846 145 HB1 ALA 44 HB1 ALA 44 -1.611 0.827 4.358 146 HB2 ALA 44 HB2 ALA 44 -0.282 1.147 3.244 147 HB3 ALA 44 HB3 ALA 44 -0.400 -0.417 4.049 148 H THR 45 HN THR 45 -1.230 1.347 0.483 149 HA THR 45 HA THR 45 -3.108 3.426 0.895 150 HB THR 45 HB THR 45 -2.529 4.087 -1.473 151 HG1 THR 45 HG1 THR 45 -0.427 2.247 -1.425 152 HG21 THR 45 HG21 THR 45 -1.312 4.977 0.451 153 HG22 THR 45 HG22 THR 45 -0.232 4.737 -0.922 154 HG23 THR 45 HG23 THR 45 -0.225 3.589 0.416 155 H THR 46 HN THR 46 -3.222 0.409 -0.833 156 HA THR 46 HA THR 46 -5.435 0.976 -2.501 157 HB THR 46 HB THR 46 -4.517 -1.700 -1.425 158 HG1 THR 46 HG1 THR 46 -2.931 -0.548 -2.672 159 HG21 THR 46 HG21 THR 46 -6.277 -1.016 -3.784 160 HG22 THR 46 HG22 THR 46 -6.791 -1.806 -2.293 161 HG23 THR 46 HG23 THR 46 -5.678 -2.627 -3.388 162 H LEU 47 HN LEU 47 -5.223 -0.756 0.610 163 HA LEU 47 HA LEU 47 -8.022 -1.100 0.879 164 HB2 LEU 47 HB2 LEU 47 -5.734 -1.269 2.823 165 HB3 LEU 47 HB1 LEU 47 -7.393 -1.530 3.318 166 HG LEU 47 HG LEU 47 -7.527 -3.385 1.630 167 HD11 LEU 47 HD11 LEU 47 -4.556 -2.900 1.470 168 HD12 LEU 47 HD12 LEU 47 -5.727 -2.725 0.162 169 HD13 LEU 47 HD13 LEU 47 -5.388 -4.320 0.835 170 HD21 LEU 47 HD21 LEU 47 -6.285 -4.979 3.007 171 HD22 LEU 47 HD22 LEU 47 -7.176 -3.828 4.001 172 HD23 LEU 47 HD23 LEU 47 -5.436 -3.646 3.788 173 H PHE 48 HN PHE 48 -5.822 1.456 1.737 174 HA PHE 48 HA PHE 48 -7.414 2.776 3.648 175 HB2 PHE 48 HB2 PHE 48 -5.032 3.272 3.347 176 HB3 PHE 48 HB1 PHE 48 -5.360 3.926 1.746 177 HD1 PHE 48 HD1 PHE 48 -6.011 6.159 1.465 178 HD2 PHE 48 HD2 PHE 48 -6.013 4.430 5.353 179 HE1 PHE 48 HE1 PHE 48 -6.381 8.383 2.450 180 HE2 PHE 48 HE2 PHE 48 -6.384 6.651 6.346 181 HZ PHE 48 HZ PHE 48 -6.565 8.633 4.889 182 H CYS 49 HN CYS 49 -7.133 3.208 0.131 183 HA CYS 49 HA CYS 49 -9.161 5.254 0.093 184 HB2 CYS 49 HB2 CYS 49 -7.845 3.750 -2.177 185 HB3 CYS 49 HB1 CYS 49 -8.891 5.155 -2.359 186 HG CYS 49 HG CYS 49 -6.229 5.582 -0.345 187 H LEU 50 HN LEU 50 -9.015 1.802 -0.521 188 HA LEU 50 HA LEU 50 -11.528 1.568 -1.808 189 HB2 LEU 50 HB2 LEU 50 -9.427 -0.122 -1.271 190 HB3 LEU 50 HB1 LEU 50 -10.695 -0.754 -0.238 191 HG LEU 50 HG LEU 50 -12.165 -0.776 -2.325 192 HD11 LEU 50 HD11 LEU 50 -10.777 -1.008 -4.435 193 HD12 LEU 50 HD12 LEU 50 -9.472 -0.234 -3.532 194 HD13 LEU 50 HD13 LEU 50 -10.989 0.623 -3.801 195 HD21 LEU 50 HD21 LEU 50 -11.265 -2.915 -3.065 196 HD22 LEU 50 HD22 LEU 50 -11.214 -2.794 -1.306 197 HD23 LEU 50 HD23 LEU 50 -9.740 -2.570 -2.248 198 H LEU 51 HN LEU 51 -10.582 0.725 1.528 199 HA LEU 51 HA LEU 51 -13.156 0.162 2.454 200 HB2 LEU 51 HB2 LEU 51 -10.767 1.182 3.989 201 HB3 LEU 51 HB1 LEU 51 -12.206 0.492 4.714 202 HG LEU 51 HG LEU 51 -10.365 -1.003 2.847 203 HD11 LEU 51 HD11 LEU 51 -10.557 -1.087 5.855 204 HD12 LEU 51 HD12 LEU 51 -9.213 -0.438 4.914 205 HD13 LEU 51 HD13 LEU 51 -9.581 -2.162 4.853 206 HD21 LEU 51 HD21 LEU 51 -11.571 -2.973 3.676 207 HD22 LEU 51 HD22 LEU 51 -12.640 -1.851 2.836 208 HD23 LEU 51 HD23 LEU 51 -12.642 -1.920 4.598 209 H HIS 52 HN HIS 52 -11.557 3.199 1.946 210 HA HIS 52 HA HIS 52 -12.965 4.852 3.687 211 HB2 HIS 52 HB2 HIS 52 -11.035 5.642 2.423 212 HB3 HIS 52 HB1 HIS 52 -11.928 5.479 0.916 213 HD1 HIS 52 HD1 HIS 52 -12.902 7.593 0.097 214 HD2 HIS 52 HD2 HIS 52 -12.446 7.608 4.228 215 HE1 HIS 52 HE1 HIS 52 -13.639 9.878 0.846 216 HE2 HIS 52 HE2 HIS 52 -13.447 9.829 3.358 217 H PHE 53 HN PHE 53 -13.808 3.803 0.399 218 HA PHE 53 HA PHE 53 -16.299 5.260 0.446 219 HB2 PHE 53 HB2 PHE 53 -15.241 3.229 -1.530 220 HB3 PHE 53 HB1 PHE 53 -16.702 4.187 -1.748 221 HD1 PHE 53 HD1 PHE 53 -13.175 4.050 -2.215 222 HD2 PHE 53 HD2 PHE 53 -16.456 6.726 -1.775 223 HE1 PHE 53 HE1 PHE 53 -11.841 5.849 -3.237 224 HE2 PHE 53 HE2 PHE 53 -15.130 8.527 -2.797 225 HZ PHE 53 HZ PHE 53 -12.813 8.082 -3.538 226 H GLY 54 HN GLY 54 -15.218 2.232 1.540 227 HA2 GLY 54 HA2 GLY 54 -16.404 0.659 2.765 228 HA3 GLY 54 HA1 GLY 54 -17.887 1.521 2.380 229 H VAL 55 HN VAL 55 -15.680 0.546 -0.123 230 HA VAL 55 HA VAL 55 -17.596 -0.763 -1.660 231 HB VAL 55 HB VAL 55 -14.623 -1.294 -1.709 232 HG11 VAL 55 HG11 VAL 55 -15.909 -2.883 -3.023 233 HG12 VAL 55 HG12 VAL 55 -15.007 -1.798 -4.082 234 HG13 VAL 55 HG13 VAL 55 -16.738 -1.560 -3.844 235 HG21 VAL 55 HG21 VAL 55 -15.056 1.101 -1.803 236 HG22 VAL 55 HG22 VAL 55 -16.205 0.854 -3.117 237 HG23 VAL 55 HG23 VAL 55 -14.495 0.506 -3.366 238 H ILE 56 HN ILE 56 -15.659 -1.913 0.978 239 HA ILE 56 HA ILE 56 -16.255 -4.706 0.411 240 HB ILE 56 HB ILE 56 -14.768 -3.518 2.757 241 HG12 ILE 56 HG12 ILE 56 -13.628 -3.007 0.652 242 HG13 ILE 56 HG11 ILE 56 -12.723 -4.208 1.567 243 HG21 ILE 56 HG21 ILE 56 -14.943 -6.352 1.743 244 HG22 ILE 56 HG22 ILE 56 -15.647 -5.724 3.233 245 HG23 ILE 56 HG23 ILE 56 -13.894 -5.797 3.048 246 HD11 ILE 56 HD11 ILE 56 -13.631 -5.971 0.131 247 HD12 ILE 56 HD12 ILE 56 -12.750 -4.753 -0.790 248 HD13 ILE 56 HD13 ILE 56 -14.514 -4.753 -0.790 249 H GLY 57 HN GLY 57 -18.009 -5.681 1.160 250 HA2 GLY 57 HA2 GLY 57 -18.971 -5.671 3.740 251 HA3 GLY 57 HA1 GLY 57 -19.823 -4.364 2.933 252 HA PRO 58 HA PRO 58 -22.706 -7.134 1.081 253 HB2 PRO 58 HB2 PRO 58 -22.627 -6.661 -1.604 254 HB3 PRO 58 HB1 PRO 58 -23.369 -5.553 -0.444 255 HG2 PRO 58 HG2 PRO 58 -20.656 -5.439 -1.704 256 HG3 PRO 58 HG1 PRO 58 -21.821 -4.128 -1.437 257 HD2 PRO 58 HD2 PRO 58 -19.697 -4.503 0.179 258 HD3 PRO 58 HD1 PRO 58 -21.254 -3.908 0.793 259 H GLN 59 HN GLN 59 -19.477 -7.240 -0.225 260 HA GLN 59 HA GLN 59 -19.892 -10.070 -0.934 261 HB2 GLN 59 HB2 GLN 59 -18.197 -9.820 -2.681 262 HB3 GLN 59 HB1 GLN 59 -19.539 -8.715 -2.944 263 HG2 GLN 59 HG2 GLN 59 -18.230 -6.880 -2.031 264 HG3 GLN 59 HG1 GLN 59 -16.890 -7.982 -1.715 265 HE21 GLN 59 HE21 GLN 59 -15.682 -8.778 -3.440 266 HE22 GLN 59 HE22 GLN 59 -15.724 -8.045 -5.003 267 H ARG 60 HN ARG 60 -17.920 -11.407 -0.786 268 HA ARG 60 HA ARG 60 -15.880 -10.391 1.043 269 HB2 ARG 60 HB2 ARG 60 -17.632 -11.431 2.450 270 HB3 ARG 60 HB1 ARG 60 -17.430 -12.936 1.562 271 HG2 ARG 60 HG2 ARG 60 -15.089 -13.038 2.332 272 HG3 ARG 60 HG1 ARG 60 -15.366 -11.579 3.284 273 HD2 ARG 60 HD2 ARG 60 -17.130 -12.743 4.531 274 HD3 ARG 60 HD1 ARG 60 -16.821 -14.203 3.592 275 HE ARG 60 HE ARG 60 -14.458 -13.268 4.869 276 HH11 ARG 60 HH11 ARG 60 -17.438 -14.983 5.440 277 HH12 ARG 60 HH12 ARG 60 -16.817 -15.876 6.788 278 HH21 ARG 60 HH21 ARG 60 -13.631 -14.439 6.640 279 HH22 ARG 60 HH22 ARG 60 -14.651 -15.566 7.471 Start of MODEL 20 1 H1 ARG 28 HT1 ARG 28 26.211 -1.758 -1.140 2 H2 ARG 28 HT2 ARG 28 25.543 -2.862 -0.046 3 H3 ARG 28 HT3 ARG 28 27.130 -2.316 0.166 4 HA ARG 28 HA ARG 28 25.633 -1.247 1.719 5 HB2 ARG 28 HB2 ARG 28 27.621 -0.041 0.907 6 HB3 ARG 28 HB1 ARG 28 26.684 0.601 -0.436 7 HG2 ARG 28 HG2 ARG 28 25.463 1.148 2.144 8 HG3 ARG 28 HG1 ARG 28 27.088 1.816 1.997 9 HD2 ARG 28 HD2 ARG 28 26.427 2.899 -0.115 10 HD3 ARG 28 HD1 ARG 28 24.790 2.270 0.085 11 HE ARG 28 HE ARG 28 25.107 3.611 2.363 12 HH11 ARG 28 HH11 ARG 28 25.853 4.512 -0.921 13 HH12 ARG 28 HH12 ARG 28 25.592 6.202 -0.651 14 HH21 ARG 28 HH21 ARG 28 24.763 5.832 2.726 15 HH22 ARG 28 HH22 ARG 28 24.974 6.954 1.423 16 H ARG 29 HN ARG 29 23.450 -1.478 1.783 17 HA ARG 29 HA ARG 29 21.663 -0.962 -0.296 18 HB2 ARG 29 HB2 ARG 29 21.222 -0.831 2.694 19 HB3 ARG 29 HB1 ARG 29 19.930 -0.797 1.501 20 HG2 ARG 29 HG2 ARG 29 21.902 -3.052 1.799 21 HG3 ARG 29 HG1 ARG 29 20.298 -3.021 2.532 22 HD2 ARG 29 HD2 ARG 29 19.291 -2.840 0.305 23 HD3 ARG 29 HD1 ARG 29 20.897 -2.878 -0.423 24 HE ARG 29 HE ARG 29 20.774 -5.152 1.081 25 HH11 ARG 29 HH11 ARG 29 18.830 -3.786 -1.468 26 HH12 ARG 29 HH12 ARG 29 18.323 -5.324 -2.080 27 HH21 ARG 29 HH21 ARG 29 20.114 -7.180 0.281 28 HH22 ARG 29 HH22 ARG 29 19.053 -7.254 -1.086 29 H CYS 30 HN CYS 30 21.182 0.866 -1.278 30 HA CYS 30 HA CYS 30 21.744 3.399 0.071 31 HB2 CYS 30 HB2 CYS 30 21.249 2.799 -2.851 32 HB3 CYS 30 HB1 CYS 30 21.643 4.384 -2.194 33 HG CYS 30 HG CYS 30 23.873 3.200 -3.511 34 H LEU 31 HN LEU 31 20.057 4.803 -1.912 35 HA LEU 31 HA LEU 31 17.841 5.396 -0.443 36 HB2 LEU 31 HB2 LEU 31 17.961 5.417 -3.450 37 HB3 LEU 31 HB1 LEU 31 16.938 6.410 -2.429 38 HG LEU 31 HG LEU 31 19.344 7.133 -1.470 39 HD11 LEU 31 HD11 LEU 31 19.813 6.037 -4.187 40 HD12 LEU 31 HD12 LEU 31 20.887 6.100 -2.789 41 HD13 LEU 31 HD13 LEU 31 20.614 7.548 -3.756 42 HD21 LEU 31 HD21 LEU 31 17.573 8.606 -2.239 43 HD22 LEU 31 HD22 LEU 31 18.007 8.269 -3.915 44 HD23 LEU 31 HD23 LEU 31 19.142 9.116 -2.863 45 H PHE 32 HN PHE 32 18.304 2.656 -2.537 46 HA PHE 32 HA PHE 32 15.675 1.925 -3.089 47 HB2 PHE 32 HB2 PHE 32 17.743 0.855 -4.029 48 HB3 PHE 32 HB1 PHE 32 17.956 0.028 -2.490 49 HD1 PHE 32 HD1 PHE 32 15.955 0.229 -5.547 50 HD2 PHE 32 HD2 PHE 32 16.531 -1.808 -1.855 51 HE1 PHE 32 HE1 PHE 32 14.497 -1.592 -6.329 52 HE2 PHE 32 HE2 PHE 32 15.076 -3.634 -2.631 53 HZ PHE 32 HZ PHE 32 14.071 -3.533 -4.887 54 H LEU 33 HN LEU 33 17.341 1.997 -0.134 55 HA LEU 33 HA LEU 33 16.172 -0.048 1.343 56 HB2 LEU 33 HB2 LEU 33 18.057 1.661 1.925 57 HB3 LEU 33 HB1 LEU 33 16.739 2.641 2.539 58 HG LEU 33 HG LEU 33 16.122 0.519 3.913 59 HD11 LEU 33 HD11 LEU 33 18.105 -0.817 4.517 60 HD12 LEU 33 HD12 LEU 33 19.013 -0.006 3.240 61 HD13 LEU 33 HD13 LEU 33 17.631 -1.023 2.832 62 HD21 LEU 33 HD21 LEU 33 16.882 2.624 4.877 63 HD22 LEU 33 HD22 LEU 33 18.557 2.176 4.560 64 HD23 LEU 33 HD23 LEU 33 17.600 1.251 5.717 65 H SER 34 HN SER 34 15.096 3.312 0.895 66 HA SER 34 HA SER 34 12.713 2.927 2.449 67 HB2 SER 34 HB2 SER 34 13.500 5.194 0.604 68 HB3 SER 34 HB1 SER 34 12.145 5.215 1.732 69 HG SER 34 HG SER 34 13.915 4.678 3.338 70 H LEU 35 HN LEU 35 13.552 2.860 -0.956 71 HA LEU 35 HA LEU 35 10.974 3.007 -2.046 72 HB2 LEU 35 HB2 LEU 35 13.028 3.220 -3.372 73 HB3 LEU 35 HB1 LEU 35 13.389 1.527 -3.095 74 HG LEU 35 HG LEU 35 11.063 1.131 -4.223 75 HD11 LEU 35 HD11 LEU 35 10.557 2.791 -5.943 76 HD12 LEU 35 HD12 LEU 35 11.828 3.837 -5.312 77 HD13 LEU 35 HD13 LEU 35 10.412 3.477 -4.324 78 HD21 LEU 35 HD21 LEU 35 13.294 2.031 -6.007 79 HD22 LEU 35 HD22 LEU 35 12.179 0.679 -6.216 80 HD23 LEU 35 HD23 LEU 35 13.446 0.598 -4.989 81 H PHE 36 HN PHE 36 12.910 0.184 -1.097 82 HA PHE 36 HA PHE 36 11.064 -1.777 -1.875 83 HB2 PHE 36 HB2 PHE 36 13.448 -2.207 -1.306 84 HB3 PHE 36 HB1 PHE 36 13.062 -1.938 0.391 85 HD1 PHE 36 HD1 PHE 36 12.426 -4.142 -2.506 86 HD2 PHE 36 HD2 PHE 36 12.110 -3.640 1.709 87 HE1 PHE 36 HE1 PHE 36 11.827 -6.516 -2.272 88 HE2 PHE 36 HE2 PHE 36 11.510 -6.013 1.951 89 HZ PHE 36 HZ PHE 36 11.372 -7.457 -0.050 90 H SER 37 HN SER 37 11.188 0.294 0.904 91 HA SER 37 HA SER 37 9.427 -1.237 2.549 92 HB2 SER 37 HB2 SER 37 10.966 0.408 3.520 93 HB3 SER 37 HB1 SER 37 10.132 1.706 2.665 94 HG SER 37 HG SER 37 8.207 0.957 3.852 95 H PHE 38 HN PHE 38 8.997 0.898 -0.101 96 HA PHE 38 HA PHE 38 6.308 1.682 0.512 97 HB2 PHE 38 HB2 PHE 38 7.787 3.049 -0.926 98 HB3 PHE 38 HB1 PHE 38 7.785 1.765 -2.129 99 HD1 PHE 38 HD1 PHE 38 5.965 1.478 -3.625 100 HD2 PHE 38 HD2 PHE 38 5.719 4.315 -0.462 101 HE1 PHE 38 HE1 PHE 38 3.950 2.447 -4.655 102 HE2 PHE 38 HE2 PHE 38 3.704 5.288 -1.485 103 HZ PHE 38 HZ PHE 38 2.816 4.353 -3.584 104 H LEU 39 HN LEU 39 7.841 -0.900 -1.294 105 HA LEU 39 HA LEU 39 5.567 -1.811 -2.688 106 HB2 LEU 39 HB2 LEU 39 8.135 -3.126 -1.854 107 HB3 LEU 39 HB1 LEU 39 6.881 -4.031 -2.683 108 HG LEU 39 HG LEU 39 7.053 -2.164 -4.475 109 HD11 LEU 39 HD11 LEU 39 9.530 -1.403 -4.515 110 HD12 LEU 39 HD12 LEU 39 9.460 -1.711 -2.776 111 HD13 LEU 39 HD13 LEU 39 8.369 -0.535 -3.510 112 HD21 LEU 39 HD21 LEU 39 9.283 -4.158 -4.075 113 HD22 LEU 39 HD22 LEU 39 8.861 -3.371 -5.597 114 HD23 LEU 39 HD23 LEU 39 7.724 -4.484 -4.835 115 H ILE 40 HN ILE 40 6.707 -2.322 0.569 116 HA ILE 40 HA ILE 40 4.975 -4.538 1.127 117 HB ILE 40 HB ILE 40 6.416 -2.708 3.053 118 HG12 ILE 40 HG12 ILE 40 7.206 -5.456 2.068 119 HG13 ILE 40 HG11 ILE 40 7.880 -3.954 1.441 120 HG21 ILE 40 HG21 ILE 40 6.082 -4.471 4.691 121 HG22 ILE 40 HG22 ILE 40 5.219 -5.441 3.497 122 HG23 ILE 40 HG23 ILE 40 4.529 -3.919 4.062 123 HD11 ILE 40 HD11 ILE 40 8.099 -4.955 4.270 124 HD12 ILE 40 HD12 ILE 40 8.754 -3.432 3.666 125 HD13 ILE 40 HD13 ILE 40 9.375 -4.965 3.052 126 H VAL 41 HN VAL 41 4.965 -1.089 2.021 127 HA VAL 41 HA VAL 41 2.500 -1.176 3.402 128 HB VAL 41 HB VAL 41 4.244 0.648 3.579 129 HG11 VAL 41 HG11 VAL 41 4.559 1.013 1.171 130 HG12 VAL 41 HG12 VAL 41 4.134 2.503 2.015 131 HG13 VAL 41 HG13 VAL 41 2.918 1.652 1.061 132 HG21 VAL 41 HG21 VAL 41 1.388 1.486 3.086 133 HG22 VAL 41 HG22 VAL 41 2.593 2.418 3.973 134 HG23 VAL 41 HG23 VAL 41 2.046 0.864 4.600 135 H ALA 42 HN ALA 42 3.295 -1.074 0.057 136 HA ALA 42 HA ALA 42 1.152 0.223 -1.099 137 HB1 ALA 42 HB1 ALA 42 1.557 -1.148 -3.075 138 HB2 ALA 42 HB2 ALA 42 2.525 -2.263 -2.112 139 HB3 ALA 42 HB3 ALA 42 3.074 -0.606 -2.359 140 H GLY 43 HN GLY 43 1.253 -2.938 0.393 141 HA2 GLY 43 HA2 GLY 43 -1.337 -3.719 -0.640 142 HA3 GLY 43 HA1 GLY 43 -0.355 -4.619 0.505 143 H ALA 44 HN ALA 44 -0.083 -2.226 2.255 144 HA ALA 44 HA ALA 44 -2.482 -2.676 3.792 145 HB1 ALA 44 HB1 ALA 44 -0.283 -2.540 4.871 146 HB2 ALA 44 HB2 ALA 44 -1.405 -1.335 5.504 147 HB3 ALA 44 HB3 ALA 44 -0.147 -0.856 4.364 148 H THR 45 HN THR 45 -0.899 0.203 2.407 149 HA THR 45 HA THR 45 -2.804 2.082 3.062 150 HB THR 45 HB THR 45 -0.700 2.791 2.177 151 HG1 THR 45 HG1 THR 45 -1.506 4.433 0.997 152 HG21 THR 45 HG21 THR 45 0.181 2.135 0.188 153 HG22 THR 45 HG22 THR 45 -1.399 1.997 -0.585 154 HG23 THR 45 HG23 THR 45 -0.844 0.739 0.516 155 H THR 46 HN THR 46 -2.970 -0.416 0.697 156 HA THR 46 HA THR 46 -4.829 0.631 -1.100 157 HB THR 46 HB THR 46 -4.570 -2.235 -0.166 158 HG1 THR 46 HG1 THR 46 -3.142 -0.636 -1.935 159 HG21 THR 46 HG21 THR 46 -5.866 -1.097 -2.647 160 HG22 THR 46 HG22 THR 46 -6.710 -1.835 -1.284 161 HG23 THR 46 HG23 THR 46 -5.644 -2.812 -2.297 162 H LEU 47 HN LEU 47 -5.350 -1.145 1.927 163 HA LEU 47 HA LEU 47 -8.158 -1.187 1.823 164 HB2 LEU 47 HB2 LEU 47 -6.657 -2.549 3.325 165 HB3 LEU 47 HB1 LEU 47 -6.459 -1.116 4.315 166 HG LEU 47 HG LEU 47 -9.203 -2.195 3.762 167 HD11 LEU 47 HD11 LEU 47 -9.047 -3.546 5.785 168 HD12 LEU 47 HD12 LEU 47 -7.342 -3.121 5.948 169 HD13 LEU 47 HD13 LEU 47 -7.883 -4.086 4.574 170 HD21 LEU 47 HD21 LEU 47 -9.114 -0.028 4.794 171 HD22 LEU 47 HD22 LEU 47 -7.955 -0.596 5.994 172 HD23 LEU 47 HD23 LEU 47 -9.610 -1.205 6.009 173 H PHE 48 HN PHE 48 -5.884 1.136 3.211 174 HA PHE 48 HA PHE 48 -7.705 2.786 4.529 175 HB2 PHE 48 HB2 PHE 48 -5.015 3.323 3.288 176 HB3 PHE 48 HB1 PHE 48 -5.921 4.587 4.111 177 HD1 PHE 48 HD1 PHE 48 -3.970 1.541 4.504 178 HD2 PHE 48 HD2 PHE 48 -6.303 4.475 6.518 179 HE1 PHE 48 HE1 PHE 48 -3.056 0.783 6.660 180 HE2 PHE 48 HE2 PHE 48 -5.393 3.723 8.677 181 HZ PHE 48 HZ PHE 48 -3.768 1.876 8.749 182 H CYS 49 HN CYS 49 -6.358 3.162 1.250 183 HA CYS 49 HA CYS 49 -8.024 5.383 0.613 184 HB2 CYS 49 HB2 CYS 49 -5.866 5.040 -0.491 185 HB3 CYS 49 HB1 CYS 49 -6.454 3.540 -1.199 186 HG CYS 49 HG CYS 49 -6.291 5.754 -3.057 187 H LEU 50 HN LEU 50 -8.434 1.962 0.485 188 HA LEU 50 HA LEU 50 -10.276 1.644 -1.560 189 HB2 LEU 50 HB2 LEU 50 -9.162 -0.029 0.202 190 HB3 LEU 50 HB1 LEU 50 -10.741 0.129 0.951 191 HG LEU 50 HG LEU 50 -11.710 -0.509 -1.324 192 HD11 LEU 50 HD11 LEU 50 -8.803 -1.124 -1.749 193 HD12 LEU 50 HD12 LEU 50 -9.889 -0.185 -2.776 194 HD13 LEU 50 HD13 LEU 50 -10.083 -1.934 -2.653 195 HD21 LEU 50 HD21 LEU 50 -11.345 -2.906 -0.918 196 HD22 LEU 50 HD22 LEU 50 -11.714 -2.028 0.567 197 HD23 LEU 50 HD23 LEU 50 -10.054 -2.506 0.214 198 H LEU 51 HN LEU 51 -10.780 2.779 1.740 199 HA LEU 51 HA LEU 51 -13.573 2.706 1.803 200 HB2 LEU 51 HB2 LEU 51 -11.516 4.369 3.204 201 HB3 LEU 51 HB1 LEU 51 -13.217 4.743 3.404 202 HG LEU 51 HG LEU 51 -12.394 3.362 5.242 203 HD11 LEU 51 HD11 LEU 51 -14.289 1.891 3.418 204 HD12 LEU 51 HD12 LEU 51 -14.721 3.130 4.596 205 HD13 LEU 51 HD13 LEU 51 -14.073 1.582 5.141 206 HD21 LEU 51 HD21 LEU 51 -11.682 1.062 4.869 207 HD22 LEU 51 HD22 LEU 51 -10.611 2.194 4.043 208 HD23 LEU 51 HD23 LEU 51 -11.817 1.292 3.126 209 H HIS 52 HN HIS 52 -11.365 5.126 0.505 210 HA HIS 52 HA HIS 52 -13.502 6.962 -0.128 211 HB2 HIS 52 HB2 HIS 52 -10.561 6.981 -0.827 212 HB3 HIS 52 HB1 HIS 52 -11.685 8.273 -1.236 213 HD1 HIS 52 HD1 HIS 52 -11.911 10.077 0.452 214 HD2 HIS 52 HD2 HIS 52 -10.362 6.591 2.100 215 HE1 HIS 52 HE1 HIS 52 -11.323 10.660 2.827 216 HE2 HIS 52 HE2 HIS 52 -10.465 8.513 3.827 217 H PHE 53 HN PHE 53 -12.080 4.241 -1.580 218 HA PHE 53 HA PHE 53 -12.336 4.904 -4.312 219 HB2 PHE 53 HB2 PHE 53 -11.090 2.922 -3.243 220 HB3 PHE 53 HB1 PHE 53 -12.655 2.118 -3.209 221 HD1 PHE 53 HD1 PHE 53 -9.931 3.312 -5.315 222 HD2 PHE 53 HD2 PHE 53 -13.746 1.428 -5.265 223 HE1 PHE 53 HE1 PHE 53 -9.595 2.580 -7.639 224 HE2 PHE 53 HE2 PHE 53 -13.417 0.692 -7.590 225 HZ PHE 53 HZ PHE 53 -11.339 1.267 -8.779 226 H GLY 54 HN GLY 54 -14.613 3.962 -1.887 227 HA2 GLY 54 HA2 GLY 54 -16.934 4.286 -2.048 228 HA3 GLY 54 HA1 GLY 54 -16.788 4.323 -3.799 229 H VAL 55 HN VAL 55 -15.075 1.745 -2.489 230 HA VAL 55 HA VAL 55 -16.647 -0.220 -3.714 231 HB VAL 55 HB VAL 55 -15.359 -1.846 -2.282 232 HG11 VAL 55 HG11 VAL 55 -13.219 -1.397 -3.363 233 HG12 VAL 55 HG12 VAL 55 -13.734 0.252 -3.720 234 HG13 VAL 55 HG13 VAL 55 -14.555 -1.111 -4.478 235 HG21 VAL 55 HG21 VAL 55 -15.077 -0.455 -0.310 236 HG22 VAL 55 HG22 VAL 55 -14.097 0.686 -1.231 237 HG23 VAL 55 HG23 VAL 55 -13.506 -0.950 -0.940 238 H ILE 56 HN ILE 56 -16.639 1.046 -0.439 239 HA ILE 56 HA ILE 56 -19.175 -0.336 0.065 240 HB ILE 56 HB ILE 56 -16.889 -0.259 2.037 241 HG12 ILE 56 HG12 ILE 56 -18.051 -2.794 0.967 242 HG13 ILE 56 HG11 ILE 56 -16.928 -1.900 -0.050 243 HG21 ILE 56 HG21 ILE 56 -19.064 -0.103 3.117 244 HG22 ILE 56 HG22 ILE 56 -18.328 -1.677 3.427 245 HG23 ILE 56 HG23 ILE 56 -19.619 -1.525 2.234 246 HD11 ILE 56 HD11 ILE 56 -15.258 -2.005 1.745 247 HD12 ILE 56 HD12 ILE 56 -15.758 -3.597 1.178 248 HD13 ILE 56 HD13 ILE 56 -16.381 -2.969 2.704 249 H GLY 57 HN GLY 57 -20.553 1.321 0.299 250 HA2 GLY 57 HA2 GLY 57 -20.293 3.120 2.492 251 HA3 GLY 57 HA1 GLY 57 -19.970 3.939 0.973 252 HA PRO 58 HA PRO 58 -24.225 4.736 0.209 253 HB2 PRO 58 HB2 PRO 58 -24.010 3.286 -2.381 254 HB3 PRO 58 HB1 PRO 58 -24.560 4.934 -2.055 255 HG2 PRO 58 HG2 PRO 58 -22.167 4.494 -3.130 256 HG3 PRO 58 HG1 PRO 58 -22.400 5.770 -1.920 257 HD2 PRO 58 HD2 PRO 58 -21.167 3.064 -1.612 258 HD3 PRO 58 HD1 PRO 58 -20.700 4.609 -0.870 259 H GLN 59 HN GLN 59 -23.084 1.470 -0.372 260 HA GLN 59 HA GLN 59 -25.673 0.257 -0.367 261 HB2 GLN 59 HB2 GLN 59 -24.454 -1.860 -0.255 262 HB3 GLN 59 HB1 GLN 59 -23.753 -0.802 -1.471 263 HG2 GLN 59 HG2 GLN 59 -21.929 -0.244 -0.024 264 HG3 GLN 59 HG1 GLN 59 -22.668 -1.118 1.316 265 HE21 GLN 59 HE21 GLN 59 -22.671 -2.285 -1.975 266 HE22 GLN 59 HE22 GLN 59 -21.593 -3.608 -1.713 267 H ARG 60 HN ARG 60 -25.701 -1.791 1.322 268 HA ARG 60 HA ARG 60 -25.320 -0.635 4.002 269 HB2 ARG 60 HB2 ARG 60 -27.444 -1.902 4.631 270 HB3 ARG 60 HB1 ARG 60 -27.640 -0.445 3.667 271 HG2 ARG 60 HG2 ARG 60 -27.902 -1.798 1.656 272 HG3 ARG 60 HG1 ARG 60 -27.680 -3.266 2.610 273 HD2 ARG 60 HD2 ARG 60 -29.907 -1.255 2.901 274 HD3 ARG 60 HD1 ARG 60 -30.040 -2.871 2.209 275 HE ARG 60 HE ARG 60 -29.026 -3.077 4.818 276 HH11 ARG 60 HH11 ARG 60 -31.970 -2.240 3.151 277 HH12 ARG 60 HH12 ARG 60 -32.999 -2.733 4.453 278 HH21 ARG 60 HH21 ARG 60 -30.375 -3.729 6.537 279 HH22 ARG 60 HH22 ARG 60 -32.093 -3.580 6.377
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