NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579496 | 2mq1 | 25008 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 HT1 VAL 1 -10.940 -3.880 4.151 2 H2 VAL 1 HT2 VAL 1 -11.891 -3.292 5.430 3 H3 VAL 1 HT3 VAL 1 -12.100 -2.679 3.859 4 HA VAL 1 HA VAL 1 -13.878 -4.216 4.422 5 HB VAL 1 HB VAL 1 -12.629 -5.965 2.525 6 HG11 VAL 1 HG11 VAL 1 -14.580 -3.658 2.255 7 HG12 VAL 1 HG12 VAL 1 -14.992 -5.352 2.515 8 HG13 VAL 1 HG13 VAL 1 -14.255 -4.847 0.994 9 HG21 VAL 1 HG21 VAL 1 -11.877 -4.275 0.875 10 HG22 VAL 1 HG22 VAL 1 -10.886 -4.232 2.334 11 HG23 VAL 1 HG23 VAL 1 -12.125 -3.005 2.073 12 H HIS 2 HN HIS 2 -14.335 -6.648 4.547 13 HA HIS 2 HA HIS 2 -12.477 -7.835 6.534 14 HB2 HIS 2 HB2 HIS 2 -15.110 -9.044 5.762 15 HB3 HIS 2 HB1 HIS 2 -14.284 -9.078 7.320 16 HD1 HIS 2 HD1 HIS 2 -14.833 -7.240 8.972 17 HD2 HIS 2 HD2 HIS 2 -16.328 -6.441 5.160 18 HE1 HIS 2 HE1 HIS 2 -16.300 -5.184 9.192 19 HE2 HIS 2 HE2 HIS 2 -17.214 -4.690 6.878 20 H PHE 3 HN PHE 3 -14.495 -9.157 3.915 21 HA PHE 3 HA PHE 3 -12.663 -11.371 3.488 22 HB2 PHE 3 HB2 PHE 3 -14.771 -10.589 1.507 23 HB3 PHE 3 HB1 PHE 3 -14.253 -12.201 2.002 24 HD1 PHE 3 HD2 PHE 3 -14.737 -12.918 4.433 25 HD2 PHE 3 HD1 PHE 3 -16.638 -9.572 2.525 26 HE1 PHE 3 HE2 PHE 3 -16.554 -12.988 6.120 27 HE2 PHE 3 HE1 PHE 3 -18.455 -9.642 4.212 28 HZ PHE 3 HZ PHE 3 -18.413 -11.350 6.009 29 H CYS 4 HN CYS 4 -10.853 -11.292 2.243 30 HA CYS 4 HA CYS 4 -9.821 -9.066 0.944 31 HB2 CYS 4 HB2 CYS 4 -9.470 -11.796 -0.290 32 HB3 CYS 4 HB1 CYS 4 -8.297 -10.492 -0.158 33 H ASP 5 HN ASP 5 -9.989 -8.217 -1.184 34 HA ASP 5 HA ASP 5 -12.530 -8.814 -2.505 35 HB2 ASP 5 HB2 ASP 5 -10.632 -7.057 -3.911 36 HB3 ASP 5 HB1 ASP 5 -12.306 -6.759 -3.444 37 H LYS 6 HN LYS 6 -9.136 -9.580 -2.931 38 HA LYS 6 HA LYS 6 -9.670 -10.649 -5.641 39 HB2 LYS 6 HB2 LYS 6 -7.652 -9.415 -5.523 40 HB3 LYS 6 HB1 LYS 6 -7.152 -10.214 -4.036 41 HG2 LYS 6 HG2 LYS 6 -7.650 -12.002 -6.357 42 HG3 LYS 6 HG1 LYS 6 -6.267 -10.926 -6.507 43 HD2 LYS 6 HD2 LYS 6 -5.135 -11.890 -4.726 44 HD3 LYS 6 HD1 LYS 6 -6.612 -12.451 -3.946 45 HE2 LYS 6 HE2 LYS 6 -5.368 -14.342 -4.904 46 HE3 LYS 6 HE1 LYS 6 -6.915 -14.134 -5.724 47 HZ1 LYS 6 HZ1 LYS 6 -5.749 -14.051 -7.596 48 HZ2 LYS 6 HZ2 LYS 6 -4.269 -13.926 -6.770 49 HZ3 LYS 6 HZ3 LYS 6 -5.181 -12.532 -7.101 50 H CYS 7 HN CYS 7 -8.904 -11.775 -2.379 51 HA CYS 7 HA CYS 7 -8.910 -14.577 -3.379 52 HB2 CYS 7 HB2 CYS 7 -8.343 -14.463 -0.595 53 HB3 CYS 7 HB1 CYS 7 -7.250 -14.885 -1.912 54 H GLY 8 HN GLY 8 -10.744 -12.348 -1.396 55 HA2 GLY 8 HA2 GLY 8 -12.977 -12.647 -0.651 56 HA3 GLY 8 HA1 GLY 8 -12.926 -14.295 -1.273 57 H LEU 9 HN LEU 9 -10.208 -14.271 0.455 58 HA LEU 9 HA LEU 9 -11.396 -15.685 2.699 59 HB2 LEU 9 HB2 LEU 9 -8.681 -15.074 1.702 60 HB3 LEU 9 HB1 LEU 9 -8.803 -15.213 3.455 61 HG LEU 9 HG LEU 9 -9.888 -17.414 3.213 62 HD11 LEU 9 HD11 LEU 9 -10.034 -16.523 0.429 63 HD12 LEU 9 HD12 LEU 9 -10.972 -17.764 1.259 64 HD13 LEU 9 HD13 LEU 9 -9.391 -18.157 0.584 65 HD21 LEU 9 HD21 LEU 9 -7.360 -17.142 3.271 66 HD22 LEU 9 HD22 LEU 9 -7.380 -17.314 1.516 67 HD23 LEU 9 HD23 LEU 9 -7.931 -18.641 2.538 68 HA PRO 10 HA PRO 10 -11.959 -12.293 5.449 69 HB2 PRO 10 HB2 PRO 10 -11.202 -13.312 7.867 70 HB3 PRO 10 HB1 PRO 10 -12.744 -13.668 7.066 71 HG2 PRO 10 HG2 PRO 10 -10.277 -15.316 7.236 72 HG3 PRO 10 HG1 PRO 10 -11.976 -15.819 7.235 73 HD2 PRO 10 HD2 PRO 10 -10.334 -16.010 5.033 74 HD3 PRO 10 HD1 PRO 10 -12.101 -15.854 4.932 75 H ILE 11 HN ILE 11 -10.557 -10.696 4.999 76 HA ILE 11 HA ILE 11 -7.767 -10.615 5.157 77 HB ILE 11 HB ILE 11 -9.765 -8.398 5.704 78 HG12 ILE 11 HG12 ILE 11 -8.249 -8.985 3.156 79 HG13 ILE 11 HG11 ILE 11 -9.822 -9.694 3.481 80 HG21 ILE 11 HG21 ILE 11 -7.469 -7.336 4.528 81 HG22 ILE 11 HG22 ILE 11 -6.858 -8.467 5.734 82 HG23 ILE 11 HG23 ILE 11 -7.946 -7.167 6.218 83 HD11 ILE 11 HD11 ILE 11 -9.413 -7.223 2.320 84 HD12 ILE 11 HD12 ILE 11 -9.732 -6.808 4.003 85 HD13 ILE 11 HD13 ILE 11 -10.912 -7.746 3.088 86 H LYS 12 HN LYS 12 -6.444 -10.930 6.853 87 HA LYS 12 HA LYS 12 -7.480 -10.638 9.604 88 HB2 LYS 12 HB2 LYS 12 -6.094 -12.604 9.067 89 HB3 LYS 12 HB1 LYS 12 -4.770 -11.546 8.577 90 HG2 LYS 12 HG2 LYS 12 -4.231 -10.989 10.737 91 HG3 LYS 12 HG1 LYS 12 -5.904 -11.082 11.288 92 HD2 LYS 12 HD2 LYS 12 -4.543 -12.909 12.251 93 HD3 LYS 12 HD1 LYS 12 -5.809 -13.541 11.199 94 HE2 LYS 12 HE2 LYS 12 -3.207 -12.927 9.900 95 HE3 LYS 12 HE1 LYS 12 -3.227 -14.308 10.997 96 HZ1 LYS 12 HZ1 LYS 12 -5.535 -14.454 9.463 97 HZ2 LYS 12 HZ2 LYS 12 -4.180 -15.477 9.399 98 HZ3 LYS 12 HZ3 LYS 12 -4.269 -14.117 8.385 99 H VAL 13 HN VAL 13 -5.412 -9.006 7.318 100 HA VAL 13 HA VAL 13 -5.056 -6.797 9.277 101 HB VAL 13 HB VAL 13 -2.870 -7.371 7.351 102 HG11 VAL 13 HG11 VAL 13 -1.509 -6.443 9.181 103 HG12 VAL 13 HG12 VAL 13 -2.927 -6.416 10.228 104 HG13 VAL 13 HG13 VAL 13 -2.858 -5.369 8.811 105 HG21 VAL 13 HG21 VAL 13 -1.812 -8.858 9.127 106 HG22 VAL 13 HG22 VAL 13 -3.163 -9.579 8.253 107 HG23 VAL 13 HG23 VAL 13 -3.404 -8.944 9.881 108 H TYR 14 HN TYR 14 -5.165 -4.739 8.287 109 HA TYR 14 HA TYR 14 -6.426 -4.744 5.654 110 HB2 TYR 14 HB2 TYR 14 -5.854 -2.705 7.750 111 HB3 TYR 14 HB1 TYR 14 -6.188 -2.160 6.109 112 HD1 TYR 14 HD2 TYR 14 -7.671 -5.262 7.553 113 HD2 TYR 14 HD1 TYR 14 -8.305 -1.116 6.613 114 HE1 TYR 14 HE2 TYR 14 -10.099 -5.547 7.916 115 HE2 TYR 14 HE1 TYR 14 -10.736 -1.406 6.982 116 HH TYR 14 HH TYR 14 -12.390 -3.292 6.919 117 H GLY 15 HN GLY 15 -4.982 -5.223 4.078 118 HA2 GLY 15 HA2 GLY 15 -2.331 -4.003 3.980 119 HA3 GLY 15 HA1 GLY 15 -3.023 -5.074 2.756 120 H ARG 16 HN ARG 16 -2.671 -1.817 3.809 121 HA ARG 16 HA ARG 16 -4.565 -0.685 1.872 122 HB2 ARG 16 HB2 ARG 16 -4.213 0.524 3.926 123 HB3 ARG 16 HB1 ARG 16 -2.466 0.535 3.686 124 HG2 ARG 16 HG2 ARG 16 -2.549 2.256 2.194 125 HG3 ARG 16 HG1 ARG 16 -4.058 1.690 1.473 126 HD2 ARG 16 HD2 ARG 16 -5.329 2.536 3.368 127 HD3 ARG 16 HD1 ARG 16 -3.847 3.015 4.190 128 HE ARG 16 HE ARG 16 -5.093 4.394 1.910 129 HH11 ARG 16 HH21 ARG 16 -2.328 3.892 3.920 130 HH12 ARG 16 HH22 ARG 16 -1.648 5.451 3.597 131 HH21 ARG 16 HH11 ARG 16 -4.212 6.437 1.490 132 HH22 ARG 16 HH12 ARG 16 -2.709 6.886 2.223 133 H MET 17 HN MET 17 -4.105 0.099 -0.125 134 HA MET 17 HA MET 17 -1.264 -0.035 -1.047 135 HB2 MET 17 HB2 MET 17 -3.541 -0.312 -2.959 136 HB3 MET 17 HB1 MET 17 -1.920 -0.995 -3.045 137 HG2 MET 17 HG2 MET 17 -2.532 -2.473 -1.097 138 HG3 MET 17 HG1 MET 17 -4.178 -1.871 -1.238 139 HE1 MET 17 HE1 MET 17 -1.209 -3.167 -2.878 140 HE2 MET 17 HE2 MET 17 -1.696 -3.767 -4.458 141 HE3 MET 17 HE3 MET 17 -1.779 -4.829 -3.058 142 H ILE 18 HN ILE 18 -0.478 1.759 -2.006 143 HA ILE 18 HA ILE 18 -2.371 3.984 -2.586 144 HB ILE 18 HB ILE 18 0.041 5.214 -2.425 145 HG12 ILE 18 HG12 ILE 18 0.155 2.974 -0.398 146 HG13 ILE 18 HG11 ILE 18 1.135 3.063 -1.862 147 HG21 ILE 18 HG21 ILE 18 -1.712 4.471 -0.056 148 HG22 ILE 18 HG22 ILE 18 -2.028 5.804 -1.166 149 HG23 ILE 18 HG23 ILE 18 -0.608 5.843 -0.124 150 HD11 ILE 18 HD11 ILE 18 2.613 4.382 -0.800 151 HD12 ILE 18 HD12 ILE 18 1.634 4.296 0.665 152 HD13 ILE 18 HD13 ILE 18 1.342 5.571 -0.517 153 HA PRO 19 HA PRO 19 -1.877 6.054 -3.482 154 HB2 PRO 19 HB2 PRO 19 -2.714 7.386 -5.678 155 HB3 PRO 19 HB1 PRO 19 -1.018 7.413 -5.156 156 HG2 PRO 19 HG2 PRO 19 -2.295 5.895 -7.361 157 HG3 PRO 19 HG1 PRO 19 -0.683 6.621 -7.271 158 HD2 PRO 19 HD2 PRO 19 -1.253 3.908 -6.880 159 HD3 PRO 19 HD1 PRO 19 0.235 4.729 -6.373 160 H CYS 20 HN CYS 20 -3.121 3.446 -5.065 161 HA CYS 20 HA CYS 20 -5.776 4.121 -5.756 162 HB2 CYS 20 HB2 CYS 20 -4.440 1.862 -5.962 163 HB3 CYS 20 HB1 CYS 20 -5.155 1.520 -4.387 164 H LYS 21 HN LYS 21 -4.311 3.479 -2.620 165 HA LYS 21 HA LYS 21 -5.125 3.885 -0.462 166 HB2 LYS 21 HB2 LYS 21 -6.396 5.815 -2.080 167 HB3 LYS 21 HB1 LYS 21 -7.693 5.069 -1.145 168 HG2 LYS 21 HG2 LYS 21 -6.397 5.455 0.930 169 HG3 LYS 21 HG1 LYS 21 -5.133 6.235 -0.022 170 HD2 LYS 21 HD2 LYS 21 -7.265 7.640 -0.894 171 HD3 LYS 21 HD1 LYS 21 -7.827 7.240 0.729 172 HE2 LYS 21 HE2 LYS 21 -6.631 9.338 0.862 173 HE3 LYS 21 HE1 LYS 21 -5.631 8.098 1.618 174 HZ1 LYS 21 HZ1 LYS 21 -5.015 9.738 -0.573 175 HZ2 LYS 21 HZ2 LYS 21 -5.043 8.126 -1.108 176 HZ3 LYS 21 HZ3 LYS 21 -4.036 8.578 0.183 177 H HIS 22 HN HIS 22 -5.808 1.587 -2.213 178 HA HIS 22 HA HIS 22 -8.491 0.823 -1.205 179 HB2 HIS 22 HB2 HIS 22 -6.634 -0.332 -3.280 180 HB3 HIS 22 HB1 HIS 22 -8.041 -1.224 -2.699 181 HD2 HIS 22 HD2 HIS 22 -9.002 2.440 -2.808 182 HE1 HIS 22 HE1 HIS 22 -10.103 0.891 -6.579 183 HE2 HIS 22 HE2 HIS 22 -10.345 2.863 -5.002 184 H VAL 23 HN VAL 23 -8.733 -1.404 -0.253 185 HA VAL 23 HA VAL 23 -6.306 -2.137 1.334 186 HB VAL 23 HB VAL 23 -8.845 -3.075 2.403 187 HG11 VAL 23 HG11 VAL 23 -6.535 -3.091 3.463 188 HG12 VAL 23 HG12 VAL 23 -7.832 -2.449 4.468 189 HG13 VAL 23 HG13 VAL 23 -6.712 -1.348 3.666 190 HG21 VAL 23 HG21 VAL 23 -8.280 -0.097 2.284 191 HG22 VAL 23 HG22 VAL 23 -9.524 -0.856 3.277 192 HG23 VAL 23 HG23 VAL 23 -9.639 -0.923 1.520 193 H PHE 24 HN PHE 24 -6.158 -4.356 1.971 194 HA PHE 24 HA PHE 24 -7.778 -6.423 0.718 195 HB2 PHE 24 HB2 PHE 24 -4.905 -6.069 -0.210 196 HB3 PHE 24 HB1 PHE 24 -5.940 -7.440 -0.593 197 HD1 PHE 24 HD1 PHE 24 -5.354 -3.858 -1.143 198 HD2 PHE 24 HD2 PHE 24 -7.698 -7.269 -2.248 199 HE1 PHE 24 HE1 PHE 24 -6.205 -2.621 -3.105 200 HE2 PHE 24 HE2 PHE 24 -8.558 -6.037 -4.214 201 HZ PHE 24 HZ PHE 24 -7.811 -3.717 -4.659 202 H CYS 25 HN CYS 25 -5.946 -8.502 0.912 203 HA CYS 25 HA CYS 25 -5.499 -8.570 3.834 204 HB2 CYS 25 HB2 CYS 25 -4.435 -10.900 2.848 205 HB3 CYS 25 HB1 CYS 25 -6.125 -10.705 3.320 206 H TYR 26 HN TYR 26 -3.623 -7.622 4.529 207 HA TYR 26 HA TYR 26 -1.491 -6.793 2.950 208 HB2 TYR 26 HB2 TYR 26 -1.849 -6.239 5.379 209 HB3 TYR 26 HB1 TYR 26 -1.199 -7.826 5.778 210 HD1 TYR 26 HD2 TYR 26 -0.279 -4.927 3.527 211 HD2 TYR 26 HD1 TYR 26 1.042 -7.880 6.359 212 HE1 TYR 26 HE2 TYR 26 2.028 -4.046 3.376 213 HE2 TYR 26 HE1 TYR 26 3.350 -6.992 6.205 214 HH TYR 26 HH TYR 26 4.313 -4.494 5.509 215 H ASP 27 HN ASP 27 -2.311 -10.035 3.723 216 HA ASP 27 HA ASP 27 0.396 -11.066 3.295 217 HB2 ASP 27 HB2 ASP 27 -1.491 -12.136 4.736 218 HB3 ASP 27 HB1 ASP 27 -2.109 -12.733 3.195 219 H CYS 28 HN CYS 28 -2.686 -11.189 1.512 220 HA CYS 28 HA CYS 28 -1.328 -12.261 -0.839 221 HB2 CYS 28 HB2 CYS 28 -4.068 -11.036 -0.963 222 HB3 CYS 28 HB1 CYS 28 -3.440 -12.432 -1.829 223 H ALA 29 HN ALA 29 -1.999 -9.169 0.501 224 HA ALA 29 HA ALA 29 -1.870 -7.662 -1.952 225 HB1 ALA 29 HB1 ALA 29 -2.695 -6.982 0.488 226 HB2 ALA 29 HB2 ALA 29 -2.001 -5.772 -0.591 227 HB3 ALA 29 HB3 ALA 29 -1.011 -6.494 0.677 228 H ILE 30 HN ILE 30 0.501 -8.880 0.390 229 HA ILE 30 HA ILE 30 2.666 -7.415 -0.905 230 HB ILE 30 HB ILE 30 4.139 -8.596 0.623 231 HG12 ILE 30 HG12 ILE 30 1.750 -10.073 1.701 232 HG13 ILE 30 HG11 ILE 30 2.825 -10.812 0.525 233 HG21 ILE 30 HG21 ILE 30 3.331 -6.834 1.805 234 HG22 ILE 30 HG22 ILE 30 2.599 -8.114 2.770 235 HG23 ILE 30 HG23 ILE 30 1.651 -7.287 1.540 236 HD11 ILE 30 HD11 ILE 30 4.737 -10.414 2.041 237 HD12 ILE 30 HD12 ILE 30 3.506 -11.424 2.799 238 HD13 ILE 30 HD13 ILE 30 3.635 -9.719 3.229 239 H LEU 31 HN LEU 31 1.243 -10.628 -1.035 240 HA LEU 31 HA LEU 31 3.341 -11.825 -2.617 241 HB2 LEU 31 HB2 LEU 31 0.386 -12.419 -2.370 242 HB3 LEU 31 HB1 LEU 31 1.443 -13.358 -3.419 243 HG LEU 31 HG LEU 31 2.268 -12.911 -0.570 244 HD11 LEU 31 HD11 LEU 31 -0.030 -14.556 -1.524 245 HD12 LEU 31 HD12 LEU 31 0.223 -13.778 0.038 246 HD13 LEU 31 HD13 LEU 31 1.046 -15.291 -0.336 247 HD21 LEU 31 HD21 LEU 31 3.648 -14.720 -0.954 248 HD22 LEU 31 HD22 LEU 31 3.489 -14.154 -2.616 249 HD23 LEU 31 HD23 LEU 31 2.501 -15.497 -2.045 250 H HIS 32 HN HIS 32 0.554 -9.813 -3.375 251 HA HIS 32 HA HIS 32 0.761 -10.097 -6.248 252 HB2 HIS 32 HB2 HIS 32 -0.734 -8.386 -4.339 253 HB3 HIS 32 HB1 HIS 32 -0.423 -7.668 -5.920 254 HD1 HIS 32 HD1 HIS 32 -1.642 -8.660 -7.945 255 HD2 HIS 32 HD2 HIS 32 -2.355 -10.776 -4.420 256 HE1 HIS 32 HE1 HIS 32 -3.523 -10.283 -8.449 257 HE2 HIS 32 HE2 HIS 32 -3.965 -11.574 -6.311 258 H GLU 33 HN GLU 33 1.977 -7.775 -3.861 259 HA GLU 33 HA GLU 33 3.235 -6.023 -5.730 260 HB2 GLU 33 HB2 GLU 33 3.620 -4.909 -3.807 261 HB3 GLU 33 HB1 GLU 33 3.090 -6.313 -2.893 262 HG2 GLU 33 HG2 GLU 33 5.371 -7.230 -2.928 263 HG3 GLU 33 HG1 GLU 33 5.919 -5.854 -3.895 264 H LYS 34 HN LYS 34 4.345 -8.976 -4.099 265 HA LYS 34 HA LYS 34 7.009 -8.869 -5.231 266 HB2 LYS 34 HB2 LYS 34 5.350 -10.994 -3.884 267 HB3 LYS 34 HB1 LYS 34 6.871 -11.424 -4.667 268 HG2 LYS 34 HG2 LYS 34 8.149 -10.200 -3.169 269 HG3 LYS 34 HG1 LYS 34 6.838 -9.077 -2.808 270 HD2 LYS 34 HD2 LYS 34 5.727 -10.658 -1.416 271 HD3 LYS 34 HD1 LYS 34 6.721 -11.989 -2.008 272 HE2 LYS 34 HE2 LYS 34 7.387 -11.154 0.275 273 HE3 LYS 34 HE1 LYS 34 8.686 -11.096 -0.918 274 HZ1 LYS 34 HZ1 LYS 34 8.726 -8.873 -0.885 275 HZ2 LYS 34 HZ2 LYS 34 7.922 -9.023 0.605 276 HZ3 LYS 34 HZ3 LYS 34 7.038 -8.727 -0.815 277 H LYS 35 HN LYS 35 3.891 -9.758 -6.380 278 HA LYS 35 HA LYS 35 4.871 -11.483 -8.508 279 HB2 LYS 35 HB2 LYS 35 2.529 -11.496 -7.354 280 HB3 LYS 35 HB1 LYS 35 2.153 -10.214 -8.506 281 HG2 LYS 35 HG2 LYS 35 1.538 -12.073 -9.747 282 HG3 LYS 35 HG1 LYS 35 3.225 -11.911 -10.239 283 HD2 LYS 35 HD2 LYS 35 3.635 -13.437 -8.100 284 HD3 LYS 35 HD1 LYS 35 1.968 -13.921 -8.414 285 HE2 LYS 35 HE2 LYS 35 3.134 -15.449 -9.730 286 HE3 LYS 35 HE1 LYS 35 2.815 -14.165 -10.896 287 HZ1 LYS 35 HZ1 LYS 35 5.321 -14.943 -9.624 288 HZ2 LYS 35 HZ2 LYS 35 5.080 -13.282 -9.888 289 HZ3 LYS 35 HZ3 LYS 35 5.034 -14.368 -11.194 290 H GLY 36 HN GLY 36 3.314 -8.280 -8.445 291 HA2 GLY 36 HA2 GLY 36 4.633 -7.693 -11.075 292 HA3 GLY 36 HA1 GLY 36 3.064 -7.042 -10.612 293 H ASP 37 HN ASP 37 3.936 -6.537 -7.832 294 HA ASP 37 HA ASP 37 5.036 -4.853 -6.589 295 HB2 ASP 37 HB2 ASP 37 6.965 -5.727 -8.291 296 HB3 ASP 37 HB1 ASP 37 6.816 -4.049 -8.814 297 H LYS 38 HN LYS 38 2.967 -4.408 -8.955 298 HA LYS 38 HA LYS 38 2.644 -1.590 -8.466 299 HB2 LYS 38 HB2 LYS 38 3.016 -0.967 -10.884 300 HB3 LYS 38 HB1 LYS 38 4.453 -1.270 -9.909 301 HG2 LYS 38 HG2 LYS 38 5.030 -3.115 -11.102 302 HG3 LYS 38 HG1 LYS 38 3.364 -3.687 -11.178 303 HD2 LYS 38 HD2 LYS 38 2.895 -2.011 -12.960 304 HD3 LYS 38 HD1 LYS 38 4.592 -1.528 -12.920 305 HE2 LYS 38 HE2 LYS 38 4.807 -4.248 -13.168 306 HE3 LYS 38 HE1 LYS 38 3.344 -3.925 -14.100 307 HZ1 LYS 38 HZ1 LYS 38 4.468 -2.720 -15.630 308 HZ2 LYS 38 HZ2 LYS 38 5.754 -3.714 -15.135 309 HZ3 LYS 38 HZ3 LYS 38 5.610 -2.137 -14.520 310 H MET 39 HN MET 39 0.959 -4.009 -8.476 311 HA MET 39 HA MET 39 -1.136 -2.973 -10.281 312 HB2 MET 39 HB2 MET 39 -1.598 -5.095 -11.305 313 HB3 MET 39 HB1 MET 39 0.131 -4.803 -11.489 314 HG2 MET 39 HG2 MET 39 0.289 -6.098 -9.196 315 HG3 MET 39 HG1 MET 39 -1.280 -6.738 -9.684 316 HE1 MET 39 HE1 MET 39 -1.499 -7.144 -12.498 317 HE2 MET 39 HE2 MET 39 -1.697 -8.478 -11.364 318 HE3 MET 39 HE3 MET 39 -0.734 -8.706 -12.821 319 H CYS 40 HN CYS 40 -2.877 -2.677 -9.030 320 HA CYS 40 HA CYS 40 -3.170 -3.740 -6.415 321 HB2 CYS 40 HB2 CYS 40 -4.399 -1.759 -7.740 322 HB3 CYS 40 HB1 CYS 40 -5.626 -3.010 -7.935 323 HA PRO 41 HA PRO 41 -4.436 -7.984 -7.181 324 HB2 PRO 41 HB2 PRO 41 -6.541 -7.419 -5.134 325 HB3 PRO 41 HB1 PRO 41 -5.412 -8.785 -5.239 326 HG2 PRO 41 HG2 PRO 41 -5.047 -6.790 -3.516 327 HG3 PRO 41 HG1 PRO 41 -3.688 -7.598 -4.314 328 HD2 PRO 41 HD2 PRO 41 -4.796 -4.886 -4.790 329 HD3 PRO 41 HD1 PRO 41 -3.151 -5.508 -5.059 330 H GLY 42 HN GLY 42 -6.953 -5.495 -6.880 331 HA2 GLY 42 HA2 GLY 42 -8.549 -6.969 -8.959 332 HA3 GLY 42 HA1 GLY 42 -9.288 -6.032 -7.667 333 H CYS 43 HN CYS 43 -7.482 -3.773 -7.827 334 HA CYS 43 HA CYS 43 -8.732 -2.443 -10.118 335 HB2 CYS 43 HB2 CYS 43 -6.670 -1.004 -8.557 336 HB3 CYS 43 HB1 CYS 43 -8.303 -0.504 -9.000 337 H SER 44 HN SER 44 -5.777 -4.064 -9.541 338 HA SER 44 HA SER 44 -3.759 -4.140 -10.753 339 HB2 SER 44 HB2 SER 44 -5.359 -5.060 -12.407 340 HB3 SER 44 HB1 SER 44 -5.679 -3.431 -12.995 341 HG SER 44 HG SER 44 -4.071 -3.941 -14.283 342 H ASP 45 HN ASP 45 -4.360 -1.583 -9.521 343 HA ASP 45 HA ASP 45 -3.546 0.434 -11.514 344 HB2 ASP 45 HB2 ASP 45 -4.826 0.446 -8.893 345 HB3 ASP 45 HB1 ASP 45 -3.512 1.619 -8.981 346 HA PRO 46 HA PRO 46 0.761 0.356 -10.656 347 HB2 PRO 46 HB2 PRO 46 1.310 3.043 -10.094 348 HB3 PRO 46 HB1 PRO 46 1.208 2.329 -11.711 349 HG2 PRO 46 HG2 PRO 46 -0.815 3.894 -10.206 350 HG3 PRO 46 HG1 PRO 46 -0.457 3.873 -11.941 351 HD2 PRO 46 HD2 PRO 46 -2.621 2.604 -10.910 352 HD3 PRO 46 HD1 PRO 46 -1.746 1.975 -12.324 353 H VAL 47 HN VAL 47 0.072 -0.825 -8.567 354 HA VAL 47 HA VAL 47 -0.245 0.343 -6.051 355 HB VAL 47 HB VAL 47 1.458 -2.079 -6.679 356 HG11 VAL 47 HG11 VAL 47 1.869 -1.332 -4.435 357 HG12 VAL 47 HG12 VAL 47 0.785 -2.721 -4.362 358 HG13 VAL 47 HG13 VAL 47 0.144 -1.090 -4.154 359 HG21 VAL 47 HG21 VAL 47 -0.919 -2.018 -7.556 360 HG22 VAL 47 HG22 VAL 47 -1.445 -1.937 -5.879 361 HG23 VAL 47 HG23 VAL 47 -0.552 -3.345 -6.459 362 H GLN 48 HN GLN 48 0.951 2.208 -5.608 363 HA GLN 48 HA GLN 48 3.746 2.492 -6.201 364 HB2 GLN 48 HB2 GLN 48 2.495 4.505 -5.876 365 HB3 GLN 48 HB1 GLN 48 1.901 3.962 -4.307 366 HG2 GLN 48 HG2 GLN 48 3.851 4.505 -3.234 367 HG3 GLN 48 HG1 GLN 48 4.854 4.082 -4.623 368 HE21 GLN 48 HE21 GLN 48 2.823 6.665 -3.248 369 HE22 GLN 48 HE22 GLN 48 3.419 7.896 -4.252 370 H ARG 49 HN ARG 49 2.145 2.165 -3.014 371 HA ARG 49 HA ARG 49 4.223 0.227 -2.257 372 HB2 ARG 49 HB2 ARG 49 5.520 1.690 -1.156 373 HB3 ARG 49 HB1 ARG 49 4.409 3.000 -1.530 374 HG2 ARG 49 HG2 ARG 49 3.060 2.452 0.454 375 HG3 ARG 49 HG1 ARG 49 4.130 1.091 0.817 376 HD2 ARG 49 HD2 ARG 49 5.321 3.818 0.476 377 HD3 ARG 49 HD1 ARG 49 4.500 3.428 1.988 378 HE ARG 49 HE ARG 49 6.460 1.421 1.143 379 HH11 ARG 49 HH21 ARG 49 5.798 4.335 2.864 380 HH12 ARG 49 HH22 ARG 49 7.155 4.171 3.928 381 HH21 ARG 49 HH11 ARG 49 8.235 1.192 2.521 382 HH22 ARG 49 HH12 ARG 49 8.535 2.392 3.733 383 H ILE 50 HN ILE 50 3.415 -1.271 -0.854 384 HA ILE 50 HA ILE 50 0.629 -0.885 0.038 385 HB ILE 50 HB ILE 50 2.252 -3.376 0.450 386 HG12 ILE 50 HG12 ILE 50 0.914 -2.385 -2.067 387 HG13 ILE 50 HG11 ILE 50 2.592 -2.862 -1.863 388 HG21 ILE 50 HG21 ILE 50 -0.577 -3.460 -0.372 389 HG22 ILE 50 HG22 ILE 50 -0.286 -2.697 1.189 390 HG23 ILE 50 HG23 ILE 50 0.251 -4.351 0.901 391 HD11 ILE 50 HD11 ILE 50 1.794 -5.189 -1.317 392 HD12 ILE 50 HD12 ILE 50 1.447 -4.680 -2.970 393 HD13 ILE 50 HD13 ILE 50 0.167 -4.679 -1.763 394 H GLU 51 HN GLU 51 0.040 -1.018 2.156 395 HA GLU 51 HA GLU 51 2.174 -1.247 4.207 396 HB2 GLU 51 HB2 GLU 51 0.159 1.012 4.116 397 HB3 GLU 51 HB1 GLU 51 1.404 0.771 5.345 398 HG2 GLU 51 HG2 GLU 51 3.134 0.896 3.537 399 HG3 GLU 51 HG1 GLU 51 1.852 1.311 2.398 400 H GLN 52 HN GLN 52 1.407 -1.901 6.260 401 HA GLN 52 HA GLN 52 -1.205 -3.285 6.135 402 HB2 GLN 52 HB2 GLN 52 -0.417 -4.683 7.843 403 HB3 GLN 52 HB1 GLN 52 1.052 -4.331 6.933 404 HG2 GLN 52 HG2 GLN 52 1.292 -2.311 8.568 405 HG3 GLN 52 HG1 GLN 52 0.162 -3.211 9.581 406 HE21 GLN 52 HE21 GLN 52 0.844 -5.486 10.184 407 HE22 GLN 52 HE22 GLN 52 2.500 -5.838 10.297 408 H CYS 53 HN CYS 53 -2.813 -2.978 7.763 409 HA CYS 53 HA CYS 53 -2.405 -0.837 9.744 410 HB2 CYS 53 HB2 CYS 53 -3.857 -0.462 7.235 411 HB3 CYS 53 HB1 CYS 53 -4.855 -0.120 8.648 412 H THR 54 HN THR 54 -4.443 -0.633 11.136 413 HA THR 54 HA THR 54 -5.377 -3.327 11.790 414 HB THR 54 HB THR 54 -6.838 -1.482 13.315 415 HG1 THR 54 HG1 THR 54 -5.180 -0.058 13.985 416 HG21 THR 54 HG21 THR 54 -5.178 -2.130 15.088 417 HG22 THR 54 HG22 THR 54 -4.221 -2.916 13.832 418 HG23 THR 54 HG23 THR 54 -5.844 -3.501 14.202 419 H ARG 55 HN ARG 55 -7.704 -3.863 11.897 420 HA ARG 55 HA ARG 55 -9.092 -2.908 9.532 421 HB2 ARG 55 HB2 ARG 55 -10.946 -4.418 10.371 422 HB3 ARG 55 HB1 ARG 55 -9.394 -5.225 10.145 423 HG2 ARG 55 HG2 ARG 55 -9.174 -5.663 12.356 424 HG3 ARG 55 HG1 ARG 55 -9.703 -4.043 12.813 425 HD2 ARG 55 HD2 ARG 55 -11.230 -5.986 13.513 426 HD3 ARG 55 HD1 ARG 55 -12.001 -4.639 12.675 427 HE ARG 55 HE ARG 55 -12.510 -6.125 10.924 428 HH11 ARG 55 HH21 ARG 55 -9.896 -7.271 12.857 429 HH12 ARG 55 HH22 ARG 55 -9.773 -8.787 12.028 430 HH21 ARG 55 HH11 ARG 55 -12.365 -8.098 9.831 431 HH22 ARG 55 HH12 ARG 55 -11.171 -9.255 10.315 432 H GLY 56 HN GLY 56 -8.526 -1.005 11.739 433 HA2 GLY 56 HA2 GLY 56 -11.254 0.145 11.864 434 HA3 GLY 56 HA1 GLY 56 -10.382 -0.062 13.389 435 H SER 57 HN SER 57 -8.347 0.464 10.728 436 HA SER 57 HA SER 57 -7.766 3.198 11.725 437 HB2 SER 57 HB2 SER 57 -6.121 1.882 9.610 438 HB3 SER 57 HB1 SER 57 -5.612 2.912 10.945 439 HG SER 57 HG SER 57 -5.389 1.196 12.131 440 H LEU 58 HN LEU 58 -9.227 1.607 9.033 441 HA LEU 58 HA LEU 58 -9.090 4.128 7.424 442 HB2 LEU 58 HB2 LEU 58 -9.942 1.417 6.408 443 HB3 LEU 58 HB1 LEU 58 -9.414 2.816 5.476 444 HG LEU 58 HG LEU 58 -7.692 1.151 7.334 445 HD11 LEU 58 HD11 LEU 58 -7.173 1.580 4.417 446 HD12 LEU 58 HD12 LEU 58 -8.426 0.433 4.880 447 HD13 LEU 58 HD13 LEU 58 -6.767 0.197 5.432 448 HD21 LEU 58 HD21 LEU 58 -5.926 2.682 6.061 449 HD22 LEU 58 HD22 LEU 58 -6.718 3.252 7.530 450 HD23 LEU 58 HD23 LEU 58 -7.300 3.782 5.952 451 H PHE 59 HN PHE 59 -11.116 4.597 6.158 452 HA PHE 59 HA PHE 59 -13.547 3.817 7.722 453 HB2 PHE 59 HB2 PHE 59 -13.022 6.429 6.276 454 HB3 PHE 59 HB1 PHE 59 -14.468 6.026 7.204 455 HD1 PHE 59 HD1 PHE 59 -10.746 6.277 7.535 456 HD2 PHE 59 HD2 PHE 59 -14.559 6.481 9.502 457 HE1 PHE 59 HE1 PHE 59 -9.632 7.030 9.618 458 HE2 PHE 59 HE2 PHE 59 -13.444 7.236 11.585 459 HZ PHE 59 HZ PHE 59 -10.980 7.510 11.642 460 H MET 60 HN MET 60 -14.743 2.446 6.502 461 HA MET 60 HA MET 60 -14.471 2.388 3.593 462 HB2 MET 60 HB2 MET 60 -16.371 0.882 5.412 463 HB3 MET 60 HB1 MET 60 -16.067 0.522 3.713 464 HG2 MET 60 HG2 MET 60 -13.518 0.611 4.804 465 HG3 MET 60 HG1 MET 60 -14.472 -0.161 6.071 466 HE1 MET 60 HE1 MET 60 -14.165 0.178 2.356 467 HE2 MET 60 HE2 MET 60 -14.007 -1.453 1.710 468 HE3 MET 60 HE3 MET 60 -12.676 -0.740 2.617 469 H CYS 61 HN CYS 61 -16.015 2.978 2.077 470 HA CYS 61 HA CYS 61 -18.188 4.772 3.068 471 HB2 CYS 61 HB2 CYS 61 -17.012 6.049 1.529 472 HB3 CYS 61 HB1 CYS 61 -16.546 4.646 0.567 473 H SER 62 HN SER 62 -20.333 4.380 2.451 474 HA SER 62 HA SER 62 -20.867 2.042 0.689 475 HB2 SER 62 HB2 SER 62 -20.910 1.126 2.952 476 HB3 SER 62 HB1 SER 62 -21.984 2.416 3.484 477 HG SER 62 HG SER 62 -23.531 1.153 2.851 478 H ILE 63 HN ILE 63 -21.410 3.999 -0.672 479 HA ILE 63 HA ILE 63 -24.010 5.254 0.062 480 HB ILE 63 HB ILE 63 -21.973 5.916 -2.082 481 HG12 ILE 63 HG12 ILE 63 -21.672 6.440 0.497 482 HG13 ILE 63 HG11 ILE 63 -21.261 7.648 -0.718 483 HG21 ILE 63 HG21 ILE 63 -24.026 6.568 -3.034 484 HG22 ILE 63 HG22 ILE 63 -23.457 8.032 -2.238 485 HG23 ILE 63 HG23 ILE 63 -24.700 7.045 -1.476 486 HD11 ILE 63 HD11 ILE 63 -22.721 8.421 1.268 487 HD12 ILE 63 HD12 ILE 63 -24.025 7.525 0.496 488 HD13 ILE 63 HD13 ILE 63 -23.263 8.869 -0.347 489 H VAL 64 HN VAL 64 -22.477 3.981 -2.918 490 HA VAL 64 HA VAL 64 -24.829 2.320 -3.462 491 HB VAL 64 HB VAL 64 -25.590 4.526 -4.268 492 HG11 VAL 64 HG11 VAL 64 -23.664 4.649 -6.485 493 HG12 VAL 64 HG12 VAL 64 -22.930 4.912 -4.904 494 HG13 VAL 64 HG13 VAL 64 -24.259 5.940 -5.441 495 HG21 VAL 64 HG21 VAL 64 -26.371 3.764 -6.344 496 HG22 VAL 64 HG22 VAL 64 -25.947 2.257 -5.534 497 HG23 VAL 64 HG23 VAL 64 -24.852 2.954 -6.727 498 H GLN 65 HN GLN 65 -24.497 1.172 -5.645 499 HA GLN 65 HA GLN 65 -23.101 -0.285 -6.855 500 HB2 GLN 65 HB2 GLN 65 -22.580 2.264 -7.618 501 HB3 GLN 65 HB1 GLN 65 -20.980 1.784 -7.052 502 HG2 GLN 65 HG2 GLN 65 -21.293 -0.336 -8.470 503 HG3 GLN 65 HG1 GLN 65 -22.650 0.506 -9.220 504 HE21 GLN 65 HE21 GLN 65 -22.129 2.642 -10.289 505 HE22 GLN 65 HE22 GLN 65 -20.570 2.886 -10.915 506 H GLY 66 HN GLY 66 -20.254 -0.336 -6.985 507 HA2 GLY 66 HA2 GLY 66 -19.681 -1.416 -4.278 508 HA3 GLY 66 HA1 GLY 66 -18.765 -1.774 -5.742 509 H CYS 67 HN CYS 67 -19.657 1.174 -3.900 510 HA CYS 67 HA CYS 67 -17.066 2.379 -4.590 511 HB2 CYS 67 HB2 CYS 67 -19.386 3.571 -4.312 512 HB3 CYS 67 HB1 CYS 67 -18.988 3.548 -2.594 513 H LYS 68 HN LYS 68 -15.499 1.164 -3.507 514 HA LYS 68 HA LYS 68 -15.706 1.048 -0.523 515 HB2 LYS 68 HB2 LYS 68 -13.964 -0.581 -2.398 516 HB3 LYS 68 HB1 LYS 68 -14.073 -0.780 -0.648 517 HG2 LYS 68 HG2 LYS 68 -16.719 -0.821 -1.799 518 HG3 LYS 68 HG1 LYS 68 -15.695 -2.006 -2.611 519 HD2 LYS 68 HD2 LYS 68 -15.060 -2.979 -0.455 520 HD3 LYS 68 HD1 LYS 68 -16.011 -1.760 0.395 521 HE2 LYS 68 HE2 LYS 68 -18.064 -2.590 -0.641 522 HE3 LYS 68 HE1 LYS 68 -17.141 -3.761 -1.583 523 HZ1 LYS 68 HZ1 LYS 68 -17.000 -3.698 1.367 524 HZ2 LYS 68 HZ2 LYS 68 -16.587 -4.964 0.313 525 HZ3 LYS 68 HZ3 LYS 68 -18.218 -4.560 0.561 526 H ARG 69 HN ARG 69 -14.930 3.473 -1.832 527 HA ARG 69 HA ARG 69 -12.023 3.627 -1.905 528 HB2 ARG 69 HB2 ARG 69 -14.198 5.733 -1.864 529 HB3 ARG 69 HB1 ARG 69 -12.480 6.127 -1.946 530 HG2 ARG 69 HG2 ARG 69 -13.538 4.115 -3.885 531 HG3 ARG 69 HG1 ARG 69 -13.934 5.811 -4.161 532 HD2 ARG 69 HD2 ARG 69 -11.690 6.429 -4.424 533 HD3 ARG 69 HD1 ARG 69 -11.098 5.012 -3.558 534 HE ARG 69 HE ARG 69 -11.227 3.781 -5.576 535 HH11 ARG 69 HH21 ARG 69 -12.908 6.787 -5.744 536 HH12 ARG 69 HH22 ARG 69 -13.191 6.685 -7.449 537 HH21 ARG 69 HH11 ARG 69 -11.586 3.632 -7.803 538 HH22 ARG 69 HH12 ARG 69 -12.442 4.899 -8.615 539 H THR 70 HN THR 70 -11.249 2.924 0.127 540 HA THR 70 HA THR 70 -12.306 3.981 2.612 541 HB THR 70 HB THR 70 -9.757 3.081 3.193 542 HG1 THR 70 HG1 THR 70 -9.609 2.479 0.949 543 HG21 THR 70 HG21 THR 70 -10.932 0.963 3.829 544 HG22 THR 70 HG22 THR 70 -12.364 1.556 2.987 545 HG23 THR 70 HG23 THR 70 -11.750 2.418 4.397 546 H TYR 71 HN TYR 71 -10.564 5.011 4.172 547 HA TYR 71 HA TYR 71 -8.655 6.787 2.873 548 HB2 TYR 71 HB2 TYR 71 -11.205 7.867 4.080 549 HB3 TYR 71 HB1 TYR 71 -9.766 8.857 3.850 550 HD1 TYR 71 HD2 TYR 71 -8.869 9.266 1.567 551 HD2 TYR 71 HD1 TYR 71 -12.567 7.179 2.208 552 HE1 TYR 71 HE2 TYR 71 -9.467 9.596 -0.816 553 HE2 TYR 71 HE1 TYR 71 -13.166 7.508 -0.176 554 HH TYR 71 HH TYR 71 -11.191 9.509 -2.306 555 H LEU 72 HN LEU 72 -8.157 8.553 4.875 556 HA LEU 72 HA LEU 72 -7.499 6.769 7.168 557 HB2 LEU 72 HB2 LEU 72 -6.056 9.302 7.068 558 HB3 LEU 72 HB1 LEU 72 -5.427 7.659 7.173 559 HG LEU 72 HG LEU 72 -6.365 9.032 4.632 560 HD11 LEU 72 HD11 LEU 72 -4.246 9.942 5.338 561 HD12 LEU 72 HD12 LEU 72 -3.923 8.795 4.038 562 HD13 LEU 72 HD13 LEU 72 -3.623 8.336 5.714 563 HD21 LEU 72 HD21 LEU 72 -6.515 6.945 3.785 564 HD22 LEU 72 HD22 LEU 72 -6.009 6.249 5.323 565 HD23 LEU 72 HD23 LEU 72 -4.802 6.719 4.128 566 H SER 73 HN SER 73 -9.433 9.430 6.298 567 HA SER 73 HA SER 73 -10.099 9.841 9.144 568 HB2 SER 73 HB2 SER 73 -8.844 11.920 7.380 569 HB3 SER 73 HB1 SER 73 -10.025 12.416 8.588 570 HG SER 73 HG SER 73 -7.751 12.334 9.268 571 H GLN 74 HN GLN 74 -12.270 10.164 9.353 572 HA GLN 74 HA GLN 74 -14.123 9.746 7.343 573 HB2 GLN 74 HB2 GLN 74 -14.399 10.218 9.948 574 HB3 GLN 74 HB1 GLN 74 -14.802 11.837 9.374 575 HG2 GLN 74 HG2 GLN 74 -16.890 10.770 9.379 576 HG3 GLN 74 HG1 GLN 74 -16.372 10.585 7.703 577 HE21 GLN 74 HE21 GLN 74 -15.363 8.441 7.119 578 HE22 GLN 74 HE22 GLN 74 -15.805 7.058 7.998 579 H ARG 75 HN ARG 75 -12.428 12.729 8.094 580 HA ARG 75 HA ARG 75 -13.987 14.527 6.536 581 HB2 ARG 75 HB2 ARG 75 -12.289 15.305 8.107 582 HB3 ARG 75 HB1 ARG 75 -11.022 14.524 7.162 583 HG2 ARG 75 HG2 ARG 75 -12.695 16.303 5.548 584 HG3 ARG 75 HG1 ARG 75 -11.870 17.145 6.858 585 HD2 ARG 75 HD2 ARG 75 -10.550 15.347 4.806 586 HD3 ARG 75 HD1 ARG 75 -10.459 17.107 4.845 587 HE ARG 75 HE ARG 75 -8.933 15.286 6.523 588 HH11 ARG 75 HH21 ARG 75 -10.425 18.382 6.250 589 HH12 ARG 75 HH22 ARG 75 -9.368 19.140 7.393 590 HH21 ARG 75 HH11 ARG 75 -7.544 16.257 8.018 591 HH22 ARG 75 HH12 ARG 75 -7.737 17.937 8.395 592 H ASP 76 HN ASP 76 -11.472 12.252 5.621 593 HA ASP 76 HA ASP 76 -11.291 13.321 2.896 594 HB2 ASP 76 HB2 ASP 76 -9.972 11.119 4.435 595 HB3 ASP 76 HB1 ASP 76 -9.977 11.016 2.675 596 H LEU 77 HN LEU 77 -12.792 10.644 4.595 597 HA LEU 77 HA LEU 77 -13.788 9.364 2.197 598 HB2 LEU 77 HB2 LEU 77 -13.507 8.014 4.187 599 HB3 LEU 77 HB1 LEU 77 -14.493 9.125 5.132 600 HG LEU 77 HG LEU 77 -15.851 8.110 2.734 601 HD11 LEU 77 HD11 LEU 77 -16.241 5.865 3.753 602 HD12 LEU 77 HD12 LEU 77 -14.999 6.230 4.947 603 HD13 LEU 77 HD13 LEU 77 -14.572 6.108 3.242 604 HD21 LEU 77 HD21 LEU 77 -16.784 9.416 4.739 605 HD22 LEU 77 HD22 LEU 77 -16.622 7.920 5.656 606 HD23 LEU 77 HD23 LEU 77 -17.692 7.985 4.256 607 H GLN 78 HN GLN 78 -14.882 11.750 4.525 608 HA GLN 78 HA GLN 78 -17.587 11.855 3.522 609 HB2 GLN 78 HB2 GLN 78 -16.703 12.853 5.740 610 HB3 GLN 78 HB1 GLN 78 -16.102 14.184 4.751 611 HG2 GLN 78 HG2 GLN 78 -18.973 13.244 4.866 612 HG3 GLN 78 HG1 GLN 78 -18.333 14.661 5.695 613 HE21 GLN 78 HE21 GLN 78 -19.755 13.590 2.778 614 HE22 GLN 78 HE22 GLN 78 -19.428 14.963 1.837 615 H ALA 79 HN ALA 79 -14.571 13.406 2.893 616 HA ALA 79 HA ALA 79 -15.518 15.256 0.919 617 HB1 ALA 79 HB1 ALA 79 -13.293 15.452 2.034 618 HB2 ALA 79 HB2 ALA 79 -13.162 15.473 0.275 619 HB3 ALA 79 HB3 ALA 79 -12.765 14.007 1.172 620 H HIS 80 HN HIS 80 -14.909 11.832 0.944 621 HA HIS 80 HA HIS 80 -14.573 11.675 -1.947 622 HB2 HIS 80 HB2 HIS 80 -13.631 9.820 -0.902 623 HB3 HIS 80 HB1 HIS 80 -14.973 9.644 0.217 624 HD1 HIS 80 HD1 HIS 80 -14.178 9.174 -3.464 625 HD2 HIS 80 HD2 HIS 80 -16.972 7.929 -0.636 626 HE1 HIS 80 HE1 HIS 80 -15.598 7.404 -4.592 627 H ILE 81 HN ILE 81 -17.232 11.378 0.319 628 HA ILE 81 HA ILE 81 -19.237 10.461 -1.497 629 HB ILE 81 HB ILE 81 -19.888 12.445 0.656 630 HG12 ILE 81 HG12 ILE 81 -18.243 10.825 1.580 631 HG13 ILE 81 HG11 ILE 81 -19.805 10.756 2.364 632 HG21 ILE 81 HG21 ILE 81 -21.850 10.910 0.916 633 HG22 ILE 81 HG22 ILE 81 -21.241 9.980 -0.452 634 HG23 ILE 81 HG23 ILE 81 -21.729 11.658 -0.676 635 HD11 ILE 81 HD11 ILE 81 -18.824 8.496 1.850 636 HD12 ILE 81 HD12 ILE 81 -18.962 8.880 0.138 637 HD13 ILE 81 HD13 ILE 81 -20.410 8.769 1.135 638 H ASN 82 HN ASN 82 -18.501 13.767 -0.424 639 HA ASN 82 HA ASN 82 -20.366 14.904 -2.316 640 HB2 ASN 82 HB2 ASN 82 -19.026 17.053 -1.769 641 HB3 ASN 82 HB1 ASN 82 -19.949 16.290 -0.475 642 HD21 ASN 82 HD21 ASN 82 -18.784 15.994 1.412 643 HD22 ASN 82 HD22 ASN 82 -17.098 15.834 1.506 644 H HIS 83 HN HIS 83 -17.121 13.779 -2.547 645 HA HIS 83 HA HIS 83 -16.574 15.470 -4.879 646 HB2 HIS 83 HB2 HIS 83 -15.019 13.281 -3.532 647 HB3 HIS 83 HB1 HIS 83 -14.491 14.000 -5.047 648 HD1 HIS 83 HD1 HIS 83 -12.447 14.728 -3.272 649 HD2 HIS 83 HD2 HIS 83 -16.087 16.746 -2.990 650 HE1 HIS 83 HE1 HIS 83 -11.978 16.883 -2.022 651 HE2 HIS 83 HE2 HIS 83 -14.186 18.119 -1.846 652 H ARG 84 HN ARG 84 -17.814 12.214 -4.335 653 HA ARG 84 HA ARG 84 -17.855 11.894 -7.303 654 HB2 ARG 84 HB2 ARG 84 -17.625 9.456 -5.602 655 HB3 ARG 84 HB1 ARG 84 -17.061 9.731 -7.242 656 HG2 ARG 84 HG2 ARG 84 -15.798 11.129 -4.860 657 HG3 ARG 84 HG1 ARG 84 -15.256 9.562 -5.435 658 HD2 ARG 84 HD2 ARG 84 -14.449 10.402 -7.439 659 HD3 ARG 84 HD1 ARG 84 -15.541 11.784 -7.422 660 HE ARG 84 HE ARG 84 -13.881 12.199 -5.234 661 HH11 ARG 84 HH21 ARG 84 -13.517 11.607 -8.611 662 HH12 ARG 84 HH22 ARG 84 -12.046 12.512 -8.746 663 HH21 ARG 84 HH11 ARG 84 -11.963 13.386 -5.392 664 HH22 ARG 84 HH12 ARG 84 -11.167 13.519 -6.924 665 H HIS 85 HN HIS 85 -19.660 11.612 -4.361 666 HA HIS 85 HA HIS 85 -21.849 10.242 -5.841 667 HB2 HIS 85 HB2 HIS 85 -21.641 10.736 -2.868 668 HB3 HIS 85 HB1 HIS 85 -22.768 9.667 -3.702 669 HD1 HIS 85 HD1 HIS 85 -22.067 7.284 -3.571 670 HD2 HIS 85 HD2 HIS 85 -18.776 9.843 -3.642 671 HE1 HIS 85 HE1 HIS 85 -20.012 5.808 -3.459 672 H MET 86 HN MET 86 -21.232 12.934 -3.632 673 HA MET 86 HA MET 86 -22.462 14.904 -3.275 674 HB2 MET 86 HB2 MET 86 -21.669 14.866 -5.817 675 HB3 MET 86 HB1 MET 86 -23.406 14.782 -6.106 676 HG2 MET 86 HG2 MET 86 -23.496 16.730 -4.337 677 HG3 MET 86 HG1 MET 86 -21.807 16.951 -4.790 678 HE1 MET 86 HE1 MET 86 -25.090 18.468 -5.429 679 HE2 MET 86 HE2 MET 86 -24.297 19.609 -6.512 680 HE3 MET 86 HE3 MET 86 -23.531 19.177 -4.985 681 H ARG 87 HN ARG 87 -23.837 13.030 -2.172 682 HA ARG 87 HA ARG 87 -25.980 12.383 -1.517 683 HB2 ARG 87 HB2 ARG 87 -26.244 15.009 -2.564 684 HB3 ARG 87 HB1 ARG 87 -27.594 14.073 -3.203 685 HG2 ARG 87 HG2 ARG 87 -28.253 14.998 -1.067 686 HG3 ARG 87 HG1 ARG 87 -28.045 13.258 -0.873 687 HD2 ARG 87 HD2 ARG 87 -26.565 13.658 0.773 688 HD3 ARG 87 HD1 ARG 87 -25.507 14.426 -0.411 689 HE ARG 87 HE ARG 87 -26.071 16.472 0.590 690 HH11 ARG 87 HH21 ARG 87 -28.578 14.138 0.987 691 HH12 ARG 87 HH22 ARG 87 -29.591 15.188 1.920 692 HH21 ARG 87 HH11 ARG 87 -27.379 17.857 1.806 693 HH22 ARG 87 HH12 ARG 87 -28.912 17.294 2.384 694 H ALA 88 HN ALA 88 -24.617 11.237 -3.881 695 HA ALA 88 HA ALA 88 -25.153 9.506 -5.380 696 HB1 ALA 88 HB1 ALA 88 -27.222 9.398 -3.644 697 HB2 ALA 88 HB2 ALA 88 -27.139 8.397 -5.093 698 HB3 ALA 88 HB3 ALA 88 -28.089 9.883 -5.102 699 H GLY 89 HN GLY 89 -27.831 11.880 -5.625 700 HA2 GLY 89 HA2 GLY 89 -26.842 13.101 -8.018 701 HA3 GLY 89 HA1 GLY 89 -28.005 11.845 -8.446 Start of MODEL 2 1 H1 VAL 1 HT1 VAL 1 -11.268 -3.361 4.166 2 H2 VAL 1 HT2 VAL 1 -12.512 -2.212 4.307 3 H3 VAL 1 HT3 VAL 1 -11.928 -2.651 2.774 4 HA VAL 1 HA VAL 1 -14.073 -3.747 4.113 5 HB VAL 1 HB VAL 1 -14.087 -3.709 1.770 6 HG11 VAL 1 HG11 VAL 1 -11.962 -3.433 0.965 7 HG12 VAL 1 HG12 VAL 1 -12.111 -5.160 0.642 8 HG13 VAL 1 HG13 VAL 1 -11.274 -4.603 2.090 9 HG21 VAL 1 HG21 VAL 1 -13.295 -6.587 2.279 10 HG22 VAL 1 HG22 VAL 1 -14.407 -5.971 1.063 11 HG23 VAL 1 HG23 VAL 1 -14.856 -5.923 2.763 12 H HIS 2 HN HIS 2 -14.448 -6.095 4.476 13 HA HIS 2 HA HIS 2 -12.186 -7.246 6.006 14 HB2 HIS 2 HB2 HIS 2 -14.596 -8.824 6.111 15 HB3 HIS 2 HB1 HIS 2 -13.785 -7.959 7.418 16 HD1 HIS 2 HD1 HIS 2 -14.412 -5.352 7.651 17 HD2 HIS 2 HD2 HIS 2 -16.929 -7.592 5.192 18 HE1 HIS 2 HE1 HIS 2 -16.513 -3.972 7.325 19 HE2 HIS 2 HE2 HIS 2 -18.050 -5.326 5.831 20 H PHE 3 HN PHE 3 -14.652 -8.407 3.706 21 HA PHE 3 HA PHE 3 -13.108 -10.797 3.088 22 HB2 PHE 3 HB2 PHE 3 -15.539 -9.556 1.771 23 HB3 PHE 3 HB1 PHE 3 -14.843 -11.105 1.295 24 HD1 PHE 3 HD1 PHE 3 -14.550 -12.890 3.158 25 HD2 PHE 3 HD2 PHE 3 -17.102 -9.454 3.523 26 HE1 PHE 3 HE1 PHE 3 -15.804 -14.014 4.979 27 HE2 PHE 3 HE2 PHE 3 -18.355 -10.577 5.344 28 HZ PHE 3 HZ PHE 3 -17.706 -12.858 6.072 29 H CYS 4 HN CYS 4 -11.200 -10.521 1.984 30 HA CYS 4 HA CYS 4 -10.379 -8.362 0.449 31 HB2 CYS 4 HB2 CYS 4 -9.182 -10.598 1.084 32 HB3 CYS 4 HB1 CYS 4 -9.735 -11.133 -0.499 33 H ASP 5 HN ASP 5 -10.533 -7.769 -1.729 34 HA ASP 5 HA ASP 5 -12.954 -8.699 -3.090 35 HB2 ASP 5 HB2 ASP 5 -11.497 -6.306 -3.041 36 HB3 ASP 5 HB1 ASP 5 -11.244 -6.950 -4.664 37 H LYS 6 HN LYS 6 -9.570 -9.414 -3.143 38 HA LYS 6 HA LYS 6 -9.796 -10.652 -5.835 39 HB2 LYS 6 HB2 LYS 6 -7.714 -9.280 -4.520 40 HB3 LYS 6 HB1 LYS 6 -7.206 -10.968 -4.607 41 HG2 LYS 6 HG2 LYS 6 -8.225 -9.357 -6.969 42 HG3 LYS 6 HG1 LYS 6 -6.524 -9.653 -6.617 43 HD2 LYS 6 HD2 LYS 6 -6.620 -11.691 -7.562 44 HD3 LYS 6 HD1 LYS 6 -7.995 -12.143 -6.556 45 HE2 LYS 6 HE2 LYS 6 -8.455 -12.175 -9.046 46 HE3 LYS 6 HE1 LYS 6 -9.552 -11.161 -8.110 47 HZ1 LYS 6 HZ1 LYS 6 -7.411 -9.555 -8.755 48 HZ2 LYS 6 HZ2 LYS 6 -8.969 -9.498 -9.430 49 HZ3 LYS 6 HZ3 LYS 6 -7.751 -10.420 -10.173 50 H CYS 7 HN CYS 7 -8.661 -11.500 -2.560 51 HA CYS 7 HA CYS 7 -8.660 -14.343 -3.253 52 HB2 CYS 7 HB2 CYS 7 -8.343 -13.161 -0.492 53 HB3 CYS 7 HB1 CYS 7 -7.727 -14.700 -1.093 54 H GLY 8 HN GLY 8 -10.969 -12.109 -2.049 55 HA2 GLY 8 HA2 GLY 8 -13.159 -12.436 -1.270 56 HA3 GLY 8 HA1 GLY 8 -13.048 -14.060 -1.950 57 H LEU 9 HN LEU 9 -10.526 -13.500 0.218 58 HA LEU 9 HA LEU 9 -11.885 -15.173 2.263 59 HB2 LEU 9 HB2 LEU 9 -9.093 -14.719 1.391 60 HB3 LEU 9 HB1 LEU 9 -9.299 -14.860 3.134 61 HG LEU 9 HG LEU 9 -10.556 -16.998 2.766 62 HD11 LEU 9 HD11 LEU 9 -9.638 -16.585 -0.098 63 HD12 LEU 9 HD12 LEU 9 -11.310 -16.542 0.461 64 HD13 LEU 9 HD13 LEU 9 -10.395 -18.048 0.528 65 HD21 LEU 9 HD21 LEU 9 -7.833 -17.040 1.440 66 HD22 LEU 9 HD22 LEU 9 -8.594 -18.327 2.375 67 HD23 LEU 9 HD23 LEU 9 -8.050 -16.856 3.180 68 HA PRO 10 HA PRO 10 -12.350 -11.795 5.047 69 HB2 PRO 10 HB2 PRO 10 -11.716 -12.907 7.469 70 HB3 PRO 10 HB1 PRO 10 -13.260 -13.145 6.628 71 HG2 PRO 10 HG2 PRO 10 -10.914 -14.955 6.824 72 HG3 PRO 10 HG1 PRO 10 -12.642 -15.343 6.764 73 HD2 PRO 10 HD2 PRO 10 -10.953 -15.602 4.606 74 HD3 PRO 10 HD1 PRO 10 -12.700 -15.322 4.459 75 H ILE 11 HN ILE 11 -10.801 -10.334 4.589 76 HA ILE 11 HA ILE 11 -8.027 -10.448 4.860 77 HB ILE 11 HB ILE 11 -9.880 -8.086 5.294 78 HG12 ILE 11 HG12 ILE 11 -8.255 -8.765 2.839 79 HG13 ILE 11 HG11 ILE 11 -9.879 -9.410 3.062 80 HG21 ILE 11 HG21 ILE 11 -6.970 -8.397 5.402 81 HG22 ILE 11 HG22 ILE 11 -7.975 -7.067 5.973 82 HG23 ILE 11 HG23 ILE 11 -7.495 -7.145 4.277 83 HD11 ILE 11 HD11 ILE 11 -9.283 -6.955 1.938 84 HD12 ILE 11 HD12 ILE 11 -9.696 -6.526 3.596 85 HD13 ILE 11 HD13 ILE 11 -10.852 -7.413 2.602 86 H LYS 12 HN LYS 12 -6.778 -10.812 6.594 87 HA LYS 12 HA LYS 12 -7.856 -10.405 9.314 88 HB2 LYS 12 HB2 LYS 12 -5.090 -11.357 8.512 89 HB3 LYS 12 HB1 LYS 12 -5.882 -11.569 10.074 90 HG2 LYS 12 HG2 LYS 12 -7.732 -12.713 8.457 91 HG3 LYS 12 HG1 LYS 12 -6.267 -13.064 7.538 92 HD2 LYS 12 HD2 LYS 12 -6.806 -13.771 10.436 93 HD3 LYS 12 HD1 LYS 12 -6.647 -14.894 9.085 94 HE2 LYS 12 HE2 LYS 12 -4.302 -13.568 8.846 95 HE3 LYS 12 HE1 LYS 12 -4.543 -13.432 10.588 96 HZ1 LYS 12 HZ1 LYS 12 -4.623 -15.959 9.029 97 HZ2 LYS 12 HZ2 LYS 12 -4.833 -15.820 10.710 98 HZ3 LYS 12 HZ3 LYS 12 -3.334 -15.445 10.004 99 H VAL 13 HN VAL 13 -5.546 -9.034 7.069 100 HA VAL 13 HA VAL 13 -5.213 -6.700 8.882 101 HB VAL 13 HB VAL 13 -2.927 -7.480 7.177 102 HG11 VAL 13 HG11 VAL 13 -3.031 -6.559 10.057 103 HG12 VAL 13 HG12 VAL 13 -3.050 -5.448 8.688 104 HG13 VAL 13 HG13 VAL 13 -1.651 -6.486 8.962 105 HG21 VAL 13 HG21 VAL 13 -3.430 -9.649 8.102 106 HG22 VAL 13 HG22 VAL 13 -3.709 -8.957 9.700 107 HG23 VAL 13 HG23 VAL 13 -2.080 -8.992 9.027 108 H TYR 14 HN TYR 14 -5.239 -4.729 7.704 109 HA TYR 14 HA TYR 14 -6.243 -5.001 4.975 110 HB2 TYR 14 HB2 TYR 14 -5.862 -2.720 6.863 111 HB3 TYR 14 HB1 TYR 14 -6.091 -2.397 5.148 112 HD1 TYR 14 HD2 TYR 14 -7.588 -5.144 7.222 113 HD2 TYR 14 HD1 TYR 14 -8.264 -1.530 5.019 114 HE1 TYR 14 HE2 TYR 14 -10.027 -5.449 7.479 115 HE2 TYR 14 HE1 TYR 14 -10.708 -1.824 5.280 116 HH TYR 14 HH TYR 14 -12.315 -3.489 5.746 117 H GLY 15 HN GLY 15 -4.689 -5.560 3.550 118 HA2 GLY 15 HA2 GLY 15 -2.014 -4.407 3.610 119 HA3 GLY 15 HA1 GLY 15 -2.669 -5.429 2.321 120 H ARG 16 HN ARG 16 -2.558 -2.193 3.604 121 HA ARG 16 HA ARG 16 -4.252 -1.007 1.598 122 HB2 ARG 16 HB2 ARG 16 -3.757 0.060 3.778 123 HB3 ARG 16 HB1 ARG 16 -2.090 0.293 3.266 124 HG2 ARG 16 HG2 ARG 16 -2.635 2.148 2.118 125 HG3 ARG 16 HG1 ARG 16 -3.899 1.284 1.242 126 HD2 ARG 16 HD2 ARG 16 -5.494 1.670 3.014 127 HD3 ARG 16 HD1 ARG 16 -4.241 2.331 4.065 128 HE ARG 16 HE ARG 16 -5.649 3.786 1.999 129 HH11 ARG 16 HH21 ARG 16 -2.639 3.356 3.626 130 HH12 ARG 16 HH22 ARG 16 -2.107 4.983 3.358 131 HH21 ARG 16 HH11 ARG 16 -4.970 5.919 1.642 132 HH22 ARG 16 HH12 ARG 16 -3.426 6.432 2.235 133 H MET 17 HN MET 17 -3.794 -0.265 -0.402 134 HA MET 17 HA MET 17 -0.952 -0.442 -1.325 135 HB2 MET 17 HB2 MET 17 -3.119 -0.497 -3.348 136 HB3 MET 17 HB1 MET 17 -1.620 -1.405 -3.290 137 HG2 MET 17 HG2 MET 17 -4.059 -1.991 -1.584 138 HG3 MET 17 HG1 MET 17 -3.618 -2.852 -3.051 139 HE1 MET 17 HE1 MET 17 -1.560 -3.778 -3.559 140 HE2 MET 17 HE2 MET 17 -0.661 -4.834 -2.476 141 HE3 MET 17 HE3 MET 17 -0.187 -3.147 -2.644 142 H ILE 18 HN ILE 18 -0.105 1.417 -2.191 143 HA ILE 18 HA ILE 18 -2.000 3.655 -2.776 144 HB ILE 18 HB ILE 18 0.378 4.922 -2.446 145 HG12 ILE 18 HG12 ILE 18 0.419 2.621 -0.490 146 HG13 ILE 18 HG11 ILE 18 1.494 2.805 -1.880 147 HG21 ILE 18 HG21 ILE 18 -0.424 5.506 -0.187 148 HG22 ILE 18 HG22 ILE 18 -1.482 4.096 -0.186 149 HG23 ILE 18 HG23 ILE 18 -1.791 5.429 -1.295 150 HD11 ILE 18 HD11 ILE 18 1.512 5.260 -0.416 151 HD12 ILE 18 HD12 ILE 18 2.843 4.139 -0.676 152 HD13 ILE 18 HD13 ILE 18 1.788 3.942 0.721 153 HA PRO 19 HA PRO 19 -1.463 5.781 -3.568 154 HB2 PRO 19 HB2 PRO 19 -2.232 7.166 -5.756 155 HB3 PRO 19 HB1 PRO 19 -0.558 7.198 -5.165 156 HG2 PRO 19 HG2 PRO 19 -1.728 5.720 -7.457 157 HG3 PRO 19 HG1 PRO 19 -0.134 6.474 -7.289 158 HD2 PRO 19 HD2 PRO 19 -0.652 3.745 -6.997 159 HD3 PRO 19 HD1 PRO 19 0.788 4.585 -6.388 160 H CYS 20 HN CYS 20 -2.629 3.263 -5.417 161 HA CYS 20 HA CYS 20 -5.260 3.915 -6.122 162 HB2 CYS 20 HB2 CYS 20 -3.744 1.553 -5.837 163 HB3 CYS 20 HB1 CYS 20 -5.178 1.318 -4.839 164 H LYS 21 HN LYS 21 -3.879 3.214 -2.969 165 HA LYS 21 HA LYS 21 -4.720 3.602 -0.827 166 HB2 LYS 21 HB2 LYS 21 -5.914 5.578 -2.413 167 HB3 LYS 21 HB1 LYS 21 -7.271 4.812 -1.589 168 HG2 LYS 21 HG2 LYS 21 -6.218 5.167 0.578 169 HG3 LYS 21 HG1 LYS 21 -4.771 5.819 -0.191 170 HD2 LYS 21 HD2 LYS 21 -7.544 7.029 -0.438 171 HD3 LYS 21 HD1 LYS 21 -6.299 7.604 0.669 172 HE2 LYS 21 HE2 LYS 21 -4.915 7.565 -1.694 173 HE3 LYS 21 HE1 LYS 21 -6.535 7.969 -2.256 174 HZ1 LYS 21 HZ1 LYS 21 -5.405 9.361 0.075 175 HZ2 LYS 21 HZ2 LYS 21 -6.581 9.893 -1.030 176 HZ3 LYS 21 HZ3 LYS 21 -4.946 9.834 -1.487 177 H HIS 22 HN HIS 22 -5.405 1.332 -2.625 178 HA HIS 22 HA HIS 22 -8.096 0.577 -1.652 179 HB2 HIS 22 HB2 HIS 22 -6.186 -0.642 -3.648 180 HB3 HIS 22 HB1 HIS 22 -7.608 -1.513 -3.074 181 HD2 HIS 22 HD2 HIS 22 -9.855 0.852 -3.176 182 HE1 HIS 22 HE1 HIS 22 -8.615 1.444 -7.170 183 HE2 HIS 22 HE2 HIS 22 -10.461 1.894 -5.489 184 H VAL 23 HN VAL 23 -8.069 -1.997 -1.031 185 HA VAL 23 HA VAL 23 -5.691 -2.554 0.638 186 HB VAL 23 HB VAL 23 -6.800 -2.667 2.674 187 HG11 VAL 23 HG11 VAL 23 -8.063 -0.593 2.908 188 HG12 VAL 23 HG12 VAL 23 -8.339 -0.528 1.171 189 HG13 VAL 23 HG13 VAL 23 -6.709 -0.330 1.816 190 HG21 VAL 23 HG21 VAL 23 -9.253 -3.058 0.971 191 HG22 VAL 23 HG22 VAL 23 -9.406 -2.582 2.661 192 HG23 VAL 23 HG23 VAL 23 -8.611 -4.100 2.242 193 H PHE 24 HN PHE 24 -5.483 -4.749 1.277 194 HA PHE 24 HA PHE 24 -7.449 -6.733 0.380 195 HB2 PHE 24 HB2 PHE 24 -4.689 -6.665 -0.890 196 HB3 PHE 24 HB1 PHE 24 -5.948 -7.865 -1.190 197 HD1 PHE 24 HD2 PHE 24 -7.997 -7.268 -2.425 198 HD2 PHE 24 HD1 PHE 24 -4.838 -4.425 -1.817 199 HE1 PHE 24 HE2 PHE 24 -8.985 -5.796 -4.155 200 HE2 PHE 24 HE1 PHE 24 -5.834 -2.953 -3.548 201 HZ PHE 24 HZ PHE 24 -7.898 -3.639 -4.725 202 H CYS 25 HN CYS 25 -6.473 -9.042 0.912 203 HA CYS 25 HA CYS 25 -5.579 -8.991 3.612 204 HB2 CYS 25 HB2 CYS 25 -4.545 -11.356 2.334 205 HB3 CYS 25 HB1 CYS 25 -5.892 -11.215 3.460 206 H TYR 26 HN TYR 26 -3.713 -8.106 4.303 207 HA TYR 26 HA TYR 26 -1.541 -7.353 2.733 208 HB2 TYR 26 HB2 TYR 26 -1.941 -6.675 5.108 209 HB3 TYR 26 HB1 TYR 26 -1.389 -8.268 5.609 210 HD1 TYR 26 HD2 TYR 26 -0.144 -5.627 3.179 211 HD2 TYR 26 HD1 TYR 26 0.762 -8.268 6.452 212 HE1 TYR 26 HE2 TYR 26 2.197 -4.848 3.166 213 HE2 TYR 26 HE1 TYR 26 3.106 -7.479 6.432 214 HH TYR 26 HH TYR 26 4.117 -4.754 5.058 215 H ASP 27 HN ASP 27 -2.484 -10.524 3.445 216 HA ASP 27 HA ASP 27 0.169 -11.709 3.367 217 HB2 ASP 27 HB2 ASP 27 -2.628 -12.818 3.084 218 HB3 ASP 27 HB1 ASP 27 -1.205 -13.834 2.854 219 H CYS 28 HN CYS 28 -2.447 -11.245 1.015 220 HA CYS 28 HA CYS 28 -0.789 -12.344 -1.129 221 HB2 CYS 28 HB2 CYS 28 -2.952 -10.785 -2.175 222 HB3 CYS 28 HB1 CYS 28 -2.793 -12.542 -2.152 223 H ALA 29 HN ALA 29 -1.448 -9.260 0.322 224 HA ALA 29 HA ALA 29 -0.541 -7.626 -1.858 225 HB1 ALA 29 HB1 ALA 29 -0.743 -5.852 -0.375 226 HB2 ALA 29 HB2 ALA 29 -0.105 -6.779 0.981 227 HB3 ALA 29 HB3 ALA 29 -1.765 -7.035 0.438 228 H ILE 30 HN ILE 30 1.109 -9.269 0.828 229 HA ILE 30 HA ILE 30 3.666 -8.070 0.107 230 HB ILE 30 HB ILE 30 4.612 -9.499 1.820 231 HG12 ILE 30 HG12 ILE 30 1.894 -10.776 2.126 232 HG13 ILE 30 HG11 ILE 30 3.213 -11.554 1.262 233 HG21 ILE 30 HG21 ILE 30 3.777 -7.879 3.130 234 HG22 ILE 30 HG22 ILE 30 2.474 -8.999 3.518 235 HG23 ILE 30 HG23 ILE 30 2.268 -7.822 2.226 236 HD11 ILE 30 HD11 ILE 30 2.732 -11.672 4.015 237 HD12 ILE 30 HD12 ILE 30 4.094 -10.565 3.844 238 HD13 ILE 30 HD13 ILE 30 4.194 -12.195 3.180 239 H LEU 31 HN LEU 31 1.937 -11.081 -0.548 240 HA LEU 31 HA LEU 31 4.186 -12.407 -1.791 241 HB2 LEU 31 HB2 LEU 31 1.203 -12.729 -2.175 242 HB3 LEU 31 HB1 LEU 31 2.381 -13.744 -2.991 243 HG LEU 31 HG LEU 31 2.225 -13.402 0.019 244 HD11 LEU 31 HD11 LEU 31 1.520 -15.984 -0.461 245 HD12 LEU 31 HD12 LEU 31 0.804 -15.191 -1.863 246 HD13 LEU 31 HD13 LEU 31 0.354 -14.680 -0.236 247 HD21 LEU 31 HD21 LEU 31 4.310 -14.290 -0.142 248 HD22 LEU 31 HD22 LEU 31 4.087 -14.748 -1.828 249 HD23 LEU 31 HD23 LEU 31 3.484 -15.793 -0.544 250 H HIS 32 HN HIS 32 2.078 -9.834 -2.772 251 HA HIS 32 HA HIS 32 2.646 -10.136 -5.627 252 HB2 HIS 32 HB2 HIS 32 1.056 -8.320 -3.916 253 HB3 HIS 32 HB1 HIS 32 1.767 -7.562 -5.341 254 HD1 HIS 32 HD1 HIS 32 1.009 -8.447 -7.678 255 HD2 HIS 32 HD2 HIS 32 -0.961 -10.245 -4.470 256 HE1 HIS 32 HE1 HIS 32 -0.968 -9.697 -8.657 257 HE2 HIS 32 HE2 HIS 32 -2.173 -10.793 -6.713 258 H GLU 33 HN GLU 33 3.740 -8.142 -2.918 259 HA GLU 33 HA GLU 33 5.615 -6.607 -4.523 260 HB2 GLU 33 HB2 GLU 33 4.689 -6.638 -1.801 261 HB3 GLU 33 HB1 GLU 33 6.454 -6.647 -1.811 262 HG2 GLU 33 HG2 GLU 33 4.779 -4.727 -3.447 263 HG3 GLU 33 HG1 GLU 33 5.441 -4.346 -1.858 264 H LYS 34 HN LYS 34 5.738 -9.634 -2.741 265 HA LYS 34 HA LYS 34 8.642 -9.816 -2.813 266 HB2 LYS 34 HB2 LYS 34 6.401 -11.709 -2.128 267 HB3 LYS 34 HB1 LYS 34 8.046 -12.315 -2.327 268 HG2 LYS 34 HG2 LYS 34 8.863 -11.066 -0.517 269 HG3 LYS 34 HG1 LYS 34 7.510 -9.934 -0.565 270 HD2 LYS 34 HD2 LYS 34 6.057 -11.414 0.498 271 HD3 LYS 34 HD1 LYS 34 6.976 -12.833 -0.001 272 HE2 LYS 34 HE2 LYS 34 7.164 -12.162 2.469 273 HE3 LYS 34 HE1 LYS 34 8.680 -12.429 1.608 274 HZ1 LYS 34 HZ1 LYS 34 8.586 -9.946 1.127 275 HZ2 LYS 34 HZ2 LYS 34 8.983 -10.419 2.710 276 HZ3 LYS 34 HZ3 LYS 34 7.416 -9.866 2.354 277 H LYS 35 HN LYS 35 5.940 -10.882 -4.794 278 HA LYS 35 HA LYS 35 7.653 -12.446 -6.562 279 HB2 LYS 35 HB2 LYS 35 4.744 -11.703 -6.521 280 HB3 LYS 35 HB1 LYS 35 5.458 -12.344 -8.001 281 HG2 LYS 35 HG2 LYS 35 6.254 -14.326 -6.764 282 HG3 LYS 35 HG1 LYS 35 5.540 -13.688 -5.282 283 HD2 LYS 35 HD2 LYS 35 3.342 -13.976 -6.068 284 HD3 LYS 35 HD1 LYS 35 3.857 -14.066 -7.752 285 HE2 LYS 35 HE2 LYS 35 4.549 -16.137 -5.651 286 HE3 LYS 35 HE1 LYS 35 3.215 -16.294 -6.794 287 HZ1 LYS 35 HZ1 LYS 35 6.112 -16.151 -7.389 288 HZ2 LYS 35 HZ2 LYS 35 4.923 -15.939 -8.582 289 HZ3 LYS 35 HZ3 LYS 35 5.036 -17.412 -7.743 290 H GLY 36 HN GLY 36 7.645 -9.297 -6.069 291 HA2 GLY 36 HA2 GLY 36 8.092 -7.396 -7.375 292 HA3 GLY 36 HA1 GLY 36 8.874 -8.532 -8.477 293 H ASP 37 HN ASP 37 5.468 -8.040 -7.529 294 HA ASP 37 HA ASP 37 4.726 -8.178 -10.391 295 HB2 ASP 37 HB2 ASP 37 3.587 -9.238 -8.073 296 HB3 ASP 37 HB1 ASP 37 2.514 -7.915 -8.531 297 H LYS 38 HN LYS 38 4.411 -6.061 -7.573 298 HA LYS 38 HA LYS 38 3.739 -3.835 -7.415 299 HB2 LYS 38 HB2 LYS 38 5.121 -3.921 -10.092 300 HB3 LYS 38 HB1 LYS 38 4.604 -2.421 -9.310 301 HG2 LYS 38 HG2 LYS 38 6.095 -2.637 -7.578 302 HG3 LYS 38 HG1 LYS 38 6.114 -4.397 -7.685 303 HD2 LYS 38 HD2 LYS 38 7.212 -2.830 -9.990 304 HD3 LYS 38 HD1 LYS 38 8.197 -2.970 -8.532 305 HE2 LYS 38 HE2 LYS 38 7.996 -5.422 -8.622 306 HE3 LYS 38 HE1 LYS 38 7.000 -5.295 -10.069 307 HZ1 LYS 38 HZ1 LYS 38 8.885 -4.125 -11.137 308 HZ2 LYS 38 HZ2 LYS 38 9.234 -5.736 -10.724 309 HZ3 LYS 38 HZ3 LYS 38 9.833 -4.462 -9.771 310 H MET 39 HN MET 39 1.639 -5.143 -7.781 311 HA MET 39 HA MET 39 0.017 -3.520 -9.635 312 HB2 MET 39 HB2 MET 39 -0.888 -5.357 -10.855 313 HB3 MET 39 HB1 MET 39 0.844 -5.652 -10.824 314 HG2 MET 39 HG2 MET 39 0.360 -7.023 -8.679 315 HG3 MET 39 HG1 MET 39 -1.319 -6.998 -9.217 316 HE1 MET 39 HE1 MET 39 -1.507 -8.969 -12.372 317 HE2 MET 39 HE2 MET 39 -1.522 -7.221 -12.155 318 HE3 MET 39 HE3 MET 39 -2.317 -8.255 -10.971 319 H CYS 40 HN CYS 40 -1.776 -2.895 -8.511 320 HA CYS 40 HA CYS 40 -2.375 -3.885 -5.904 321 HB2 CYS 40 HB2 CYS 40 -3.217 -1.760 -6.190 322 HB3 CYS 40 HB1 CYS 40 -3.724 -2.076 -7.843 323 HA PRO 41 HA PRO 41 -4.335 -7.825 -7.001 324 HB2 PRO 41 HB2 PRO 41 -5.960 -7.200 -4.572 325 HB3 PRO 41 HB1 PRO 41 -5.120 -8.698 -5.012 326 HG2 PRO 41 HG2 PRO 41 -4.157 -6.981 -3.190 327 HG3 PRO 41 HG1 PRO 41 -3.115 -7.964 -4.230 328 HD2 PRO 41 HD2 PRO 41 -3.598 -5.052 -4.296 329 HD3 PRO 41 HD1 PRO 41 -2.247 -5.991 -4.971 330 H GLY 42 HN GLY 42 -6.079 -4.833 -6.444 331 HA2 GLY 42 HA2 GLY 42 -8.544 -5.966 -7.661 332 HA3 GLY 42 HA1 GLY 42 -8.425 -4.401 -6.861 333 H CYS 43 HN CYS 43 -6.718 -2.897 -8.016 334 HA CYS 43 HA CYS 43 -7.684 -2.530 -10.709 335 HB2 CYS 43 HB2 CYS 43 -5.293 -1.252 -9.363 336 HB3 CYS 43 HB1 CYS 43 -6.095 -0.666 -10.818 337 H SER 44 HN SER 44 -4.651 -3.684 -9.314 338 HA SER 44 HA SER 44 -3.120 -5.221 -10.182 339 HB2 SER 44 HB2 SER 44 -3.779 -6.649 -11.859 340 HB3 SER 44 HB1 SER 44 -5.346 -6.005 -11.387 341 HG SER 44 HG SER 44 -3.743 -5.407 -13.622 342 H ASP 45 HN ASP 45 -2.189 -2.728 -10.249 343 HA ASP 45 HA ASP 45 -0.295 -2.745 -12.319 344 HB2 ASP 45 HB2 ASP 45 -1.393 -2.048 -14.137 345 HB3 ASP 45 HB1 ASP 45 -2.855 -1.722 -13.212 346 HA PRO 46 HA PRO 46 -0.064 1.530 -10.308 347 HB2 PRO 46 HB2 PRO 46 -2.090 2.576 -8.904 348 HB3 PRO 46 HB1 PRO 46 -2.136 2.497 -10.674 349 HG2 PRO 46 HG2 PRO 46 -3.476 0.746 -8.673 350 HG3 PRO 46 HG1 PRO 46 -4.090 1.381 -10.209 351 HD2 PRO 46 HD2 PRO 46 -3.025 -1.181 -9.844 352 HD3 PRO 46 HD1 PRO 46 -3.219 -0.363 -11.403 353 H VAL 47 HN VAL 47 0.860 -0.727 -8.845 354 HA VAL 47 HA VAL 47 0.256 -0.070 -6.006 355 HB VAL 47 HB VAL 47 1.401 -2.422 -7.402 356 HG11 VAL 47 HG11 VAL 47 3.324 -1.994 -6.030 357 HG12 VAL 47 HG12 VAL 47 2.364 -3.173 -5.145 358 HG13 VAL 47 HG13 VAL 47 2.322 -1.477 -4.671 359 HG21 VAL 47 HG21 VAL 47 -0.913 -2.120 -6.330 360 HG22 VAL 47 HG22 VAL 47 -0.074 -2.221 -4.787 361 HG23 VAL 47 HG23 VAL 47 -0.027 -3.582 -5.898 362 H GLN 48 HN GLN 48 1.506 1.464 -5.078 363 HA GLN 48 HA GLN 48 4.227 1.963 -6.149 364 HB2 GLN 48 HB2 GLN 48 2.996 3.999 -5.976 365 HB3 GLN 48 HB1 GLN 48 2.392 3.580 -4.374 366 HG2 GLN 48 HG2 GLN 48 4.361 4.150 -3.330 367 HG3 GLN 48 HG1 GLN 48 5.349 3.697 -4.720 368 HE21 GLN 48 HE21 GLN 48 3.952 6.366 -3.076 369 HE22 GLN 48 HE22 GLN 48 4.230 7.540 -4.269 370 H ARG 49 HN ARG 49 2.708 1.988 -2.911 371 HA ARG 49 HA ARG 49 4.833 0.134 -1.991 372 HB2 ARG 49 HB2 ARG 49 5.978 1.785 -0.974 373 HB3 ARG 49 HB1 ARG 49 4.728 2.962 -1.345 374 HG2 ARG 49 HG2 ARG 49 3.465 2.313 0.642 375 HG3 ARG 49 HG1 ARG 49 4.610 1.009 0.977 376 HD2 ARG 49 HD2 ARG 49 5.188 2.874 2.393 377 HD3 ARG 49 HD1 ARG 49 6.420 2.754 1.136 378 HE ARG 49 HE ARG 49 4.247 4.564 0.425 379 HH11 ARG 49 HH21 ARG 49 7.231 4.135 2.096 380 HH12 ARG 49 HH22 ARG 49 7.675 5.806 2.007 381 HH21 ARG 49 HH11 ARG 49 4.808 6.750 0.298 382 HH22 ARG 49 HH12 ARG 49 6.303 7.287 0.989 383 H ILE 50 HN ILE 50 4.047 -1.294 -0.457 384 HA ILE 50 HA ILE 50 1.153 -1.092 0.074 385 HB ILE 50 HB ILE 50 2.898 -3.331 1.042 386 HG12 ILE 50 HG12 ILE 50 1.945 -2.830 -1.782 387 HG13 ILE 50 HG11 ILE 50 3.595 -3.080 -1.235 388 HG21 ILE 50 HG21 ILE 50 0.240 -2.862 1.283 389 HG22 ILE 50 HG22 ILE 50 0.939 -4.480 1.226 390 HG23 ILE 50 HG23 ILE 50 0.271 -3.758 -0.232 391 HD11 ILE 50 HD11 ILE 50 2.846 -5.379 -0.416 392 HD12 ILE 50 HD12 ILE 50 2.898 -5.173 -2.166 393 HD13 ILE 50 HD13 ILE 50 1.357 -5.111 -1.320 394 H GLU 51 HN GLU 51 0.304 -1.036 2.110 395 HA GLU 51 HA GLU 51 2.189 -0.793 4.396 396 HB2 GLU 51 HB2 GLU 51 -0.078 1.155 3.966 397 HB3 GLU 51 HB1 GLU 51 1.187 1.230 5.193 398 HG2 GLU 51 HG2 GLU 51 2.885 1.390 3.384 399 HG3 GLU 51 HG1 GLU 51 1.579 1.434 2.199 400 H GLN 52 HN GLN 52 1.323 -1.365 6.389 401 HA GLN 52 HA GLN 52 -1.062 -3.103 6.188 402 HB2 GLN 52 HB2 GLN 52 1.116 -2.795 8.260 403 HB3 GLN 52 HB1 GLN 52 -0.312 -3.793 8.531 404 HG2 GLN 52 HG2 GLN 52 0.266 -5.311 6.849 405 HG3 GLN 52 HG1 GLN 52 1.310 -4.151 6.026 406 HE21 GLN 52 HE21 GLN 52 1.120 -6.320 8.847 407 HE22 GLN 52 HE22 GLN 52 2.787 -6.328 9.163 408 H CYS 53 HN CYS 53 -2.967 -2.661 7.230 409 HA CYS 53 HA CYS 53 -3.022 -0.429 9.190 410 HB2 CYS 53 HB2 CYS 53 -4.226 -0.465 6.529 411 HB3 CYS 53 HB1 CYS 53 -5.405 -0.146 7.801 412 H THR 54 HN THR 54 -4.873 -0.499 10.624 413 HA THR 54 HA THR 54 -5.735 -3.245 11.165 414 HB THR 54 HB THR 54 -7.139 -1.469 12.845 415 HG1 THR 54 HG1 THR 54 -4.594 -0.565 12.077 416 HG21 THR 54 HG21 THR 54 -4.499 -2.890 13.292 417 HG22 THR 54 HG22 THR 54 -6.093 -3.626 13.461 418 HG23 THR 54 HG23 THR 54 -5.600 -2.331 14.552 419 H ARG 55 HN ARG 55 -8.036 -3.813 11.385 420 HA ARG 55 HA ARG 55 -9.598 -3.259 9.148 421 HB2 ARG 55 HB2 ARG 55 -10.155 -5.096 10.639 422 HB3 ARG 55 HB1 ARG 55 -10.521 -3.966 11.945 423 HG2 ARG 55 HG2 ARG 55 -12.516 -3.287 10.989 424 HG3 ARG 55 HG1 ARG 55 -11.968 -3.633 9.348 425 HD2 ARG 55 HD2 ARG 55 -13.730 -5.220 10.453 426 HD3 ARG 55 HD1 ARG 55 -12.391 -5.927 9.549 427 HE ARG 55 HE ARG 55 -11.391 -5.816 12.104 428 HH11 ARG 55 HH21 ARG 55 -14.328 -6.936 10.685 429 HH12 ARG 55 HH22 ARG 55 -14.574 -8.184 11.860 430 HH21 ARG 55 HH11 ARG 55 -11.698 -7.439 13.646 431 HH22 ARG 55 HH12 ARG 55 -13.087 -8.469 13.537 432 H GLY 56 HN GLY 56 -10.457 -1.940 12.358 433 HA2 GLY 56 HA2 GLY 56 -12.056 0.151 11.164 434 HA3 GLY 56 HA1 GLY 56 -11.621 0.039 12.869 435 H SER 57 HN SER 57 -9.132 0.037 10.376 436 HA SER 57 HA SER 57 -8.031 2.484 11.575 437 HB2 SER 57 HB2 SER 57 -6.601 0.517 10.871 438 HB3 SER 57 HB1 SER 57 -6.979 0.925 9.199 439 HG SER 57 HG SER 57 -5.228 2.077 10.928 440 H LEU 58 HN LEU 58 -9.751 1.489 8.722 441 HA LEU 58 HA LEU 58 -9.544 4.258 7.622 442 HB2 LEU 58 HB2 LEU 58 -10.604 1.984 6.000 443 HB3 LEU 58 HB1 LEU 58 -9.715 3.412 5.480 444 HG LEU 58 HG LEU 58 -8.541 1.059 6.999 445 HD11 LEU 58 HD11 LEU 58 -7.369 0.614 4.890 446 HD12 LEU 58 HD12 LEU 58 -8.153 2.003 4.140 447 HD13 LEU 58 HD13 LEU 58 -9.113 0.605 4.622 448 HD21 LEU 58 HD21 LEU 58 -7.011 2.640 7.603 449 HD22 LEU 58 HD22 LEU 58 -7.602 3.798 6.413 450 HD23 LEU 58 HD23 LEU 58 -6.473 2.535 5.929 451 H PHE 59 HN PHE 59 -11.642 4.795 6.299 452 HA PHE 59 HA PHE 59 -13.974 4.038 8.019 453 HB2 PHE 59 HB2 PHE 59 -13.628 6.552 6.371 454 HB3 PHE 59 HB1 PHE 59 -14.932 6.199 7.508 455 HD1 PHE 59 HD1 PHE 59 -11.203 6.513 7.325 456 HD2 PHE 59 HD2 PHE 59 -14.728 6.804 9.764 457 HE1 PHE 59 HE1 PHE 59 -9.841 7.419 9.188 458 HE2 PHE 59 HE2 PHE 59 -13.364 7.711 11.626 459 HZ PHE 59 HZ PHE 59 -10.921 8.019 11.338 460 H MET 60 HN MET 60 -15.428 2.763 7.011 461 HA MET 60 HA MET 60 -15.337 2.413 4.106 462 HB2 MET 60 HB2 MET 60 -17.312 1.258 6.094 463 HB3 MET 60 HB1 MET 60 -16.988 0.673 4.461 464 HG2 MET 60 HG2 MET 60 -14.471 0.734 5.654 465 HG3 MET 60 HG1 MET 60 -15.531 0.146 6.935 466 HE1 MET 60 HE1 MET 60 -15.205 -0.035 3.091 467 HE2 MET 60 HE2 MET 60 -14.717 -1.708 2.826 468 HE3 MET 60 HE3 MET 60 -13.654 -0.617 3.712 469 H CYS 61 HN CYS 61 -16.950 3.034 2.645 470 HA CYS 61 HA CYS 61 -18.503 5.381 3.368 471 HB2 CYS 61 HB2 CYS 61 -17.586 5.100 1.092 472 HB3 CYS 61 HB1 CYS 61 -18.598 3.675 0.860 473 H SER 62 HN SER 62 -20.692 5.511 3.810 474 HA SER 62 HA SER 62 -22.088 2.921 4.264 475 HB2 SER 62 HB2 SER 62 -22.848 5.717 5.158 476 HB3 SER 62 HB1 SER 62 -23.626 4.218 5.657 477 HG SER 62 HG SER 62 -21.889 5.203 7.043 478 H ILE 63 HN ILE 63 -22.186 5.808 2.299 479 HA ILE 63 HA ILE 63 -24.911 5.284 1.336 480 HB ILE 63 HB ILE 63 -22.809 7.216 0.308 481 HG12 ILE 63 HG12 ILE 63 -25.148 7.679 2.187 482 HG13 ILE 63 HG11 ILE 63 -23.462 7.575 2.693 483 HG21 ILE 63 HG21 ILE 63 -25.374 6.419 -0.699 484 HG22 ILE 63 HG22 ILE 63 -24.286 7.653 -1.333 485 HG23 ILE 63 HG23 ILE 63 -25.494 8.079 -0.121 486 HD11 ILE 63 HD11 ILE 63 -24.859 9.856 1.695 487 HD12 ILE 63 HD12 ILE 63 -23.617 9.425 0.520 488 HD13 ILE 63 HD13 ILE 63 -23.173 9.747 2.196 489 H VAL 64 HN VAL 64 -25.433 4.379 -0.662 490 HA VAL 64 HA VAL 64 -25.128 2.906 -2.467 491 HB VAL 64 HB VAL 64 -22.633 4.595 -2.827 492 HG11 VAL 64 HG11 VAL 64 -22.959 3.970 -5.230 493 HG12 VAL 64 HG12 VAL 64 -24.242 2.866 -4.731 494 HG13 VAL 64 HG13 VAL 64 -22.582 2.586 -4.203 495 HG21 VAL 64 HG21 VAL 64 -24.075 6.284 -3.229 496 HG22 VAL 64 HG22 VAL 64 -25.459 5.208 -3.038 497 HG23 VAL 64 HG23 VAL 64 -24.675 5.364 -4.609 498 H GLN 65 HN GLN 65 -24.739 0.968 -1.300 499 HA GLN 65 HA GLN 65 -22.343 0.204 -0.030 500 HB2 GLN 65 HB2 GLN 65 -24.261 -1.561 -1.587 501 HB3 GLN 65 HB1 GLN 65 -23.083 -2.124 -0.399 502 HG2 GLN 65 HG2 GLN 65 -24.359 -1.460 1.362 503 HG3 GLN 65 HG1 GLN 65 -24.846 0.037 0.565 504 HE21 GLN 65 HE21 GLN 65 -25.532 -3.485 0.632 505 HE22 GLN 65 HE22 GLN 65 -27.119 -3.344 0.047 506 H GLY 66 HN GLY 66 -22.884 0.818 -3.330 507 HA2 GLY 66 HA2 GLY 66 -20.961 -1.048 -4.437 508 HA3 GLY 66 HA1 GLY 66 -21.614 0.368 -5.261 509 H CYS 67 HN CYS 67 -20.817 2.481 -3.806 510 HA CYS 67 HA CYS 67 -18.007 2.678 -4.392 511 HB2 CYS 67 HB2 CYS 67 -18.482 4.869 -4.205 512 HB3 CYS 67 HB1 CYS 67 -20.105 4.450 -3.658 513 H LYS 68 HN LYS 68 -16.235 2.625 -2.988 514 HA LYS 68 HA LYS 68 -16.660 2.215 -0.107 515 HB2 LYS 68 HB2 LYS 68 -15.249 0.087 -0.189 516 HB3 LYS 68 HB1 LYS 68 -16.902 -0.067 -0.786 517 HG2 LYS 68 HG2 LYS 68 -16.237 -0.284 -2.984 518 HG3 LYS 68 HG1 LYS 68 -14.790 0.698 -2.753 519 HD2 LYS 68 HD2 LYS 68 -14.305 -1.745 -3.110 520 HD3 LYS 68 HD1 LYS 68 -13.673 -1.110 -1.590 521 HE2 LYS 68 HE2 LYS 68 -15.208 -2.263 -0.307 522 HE3 LYS 68 HE1 LYS 68 -16.434 -2.250 -1.574 523 HZ1 LYS 68 HZ1 LYS 68 -14.019 -3.957 -1.408 524 HZ2 LYS 68 HZ2 LYS 68 -14.949 -3.809 -2.822 525 HZ3 LYS 68 HZ3 LYS 68 -15.641 -4.451 -1.410 526 H ARG 69 HN ARG 69 -15.340 4.210 -1.784 527 HA ARG 69 HA ARG 69 -12.494 3.786 -1.801 528 HB2 ARG 69 HB2 ARG 69 -14.126 6.342 -1.760 529 HB3 ARG 69 HB1 ARG 69 -12.385 6.278 -2.037 530 HG2 ARG 69 HG2 ARG 69 -13.886 4.412 -3.730 531 HG3 ARG 69 HG1 ARG 69 -14.319 6.099 -4.006 532 HD2 ARG 69 HD2 ARG 69 -11.948 6.672 -4.319 533 HD3 ARG 69 HD1 ARG 69 -11.493 4.997 -4.008 534 HE ARG 69 HE ARG 69 -12.562 6.033 -6.504 535 HH11 ARG 69 HH21 ARG 69 -12.349 3.333 -4.372 536 HH12 ARG 69 HH22 ARG 69 -12.585 2.157 -5.622 537 HH21 ARG 69 HH11 ARG 69 -12.871 4.514 -8.149 538 HH22 ARG 69 HH12 ARG 69 -12.880 2.827 -7.760 539 H THR 70 HN THR 70 -12.409 2.824 0.454 540 HA THR 70 HA THR 70 -12.963 4.162 2.833 541 HB THR 70 HB THR 70 -10.453 3.063 3.316 542 HG1 THR 70 HG1 THR 70 -11.738 1.882 1.115 543 HG21 THR 70 HG21 THR 70 -13.196 1.785 3.368 544 HG22 THR 70 HG22 THR 70 -12.419 2.671 4.680 545 HG23 THR 70 HG23 THR 70 -11.767 1.117 4.158 546 H TYR 71 HN TYR 71 -11.166 5.139 4.313 547 HA TYR 71 HA TYR 71 -9.092 6.640 2.932 548 HB2 TYR 71 HB2 TYR 71 -11.690 7.860 3.477 549 HB3 TYR 71 HB1 TYR 71 -10.363 8.734 4.246 550 HD1 TYR 71 HD1 TYR 71 -8.191 8.996 2.718 551 HD2 TYR 71 HD2 TYR 71 -12.174 8.361 1.239 552 HE1 TYR 71 HE1 TYR 71 -7.524 9.926 0.520 553 HE2 TYR 71 HE2 TYR 71 -11.507 9.296 -0.957 554 HH TYR 71 HH TYR 71 -8.864 9.456 -2.158 555 H LEU 72 HN LEU 72 -8.361 8.417 4.805 556 HA LEU 72 HA LEU 72 -8.072 6.784 7.283 557 HB2 LEU 72 HB2 LEU 72 -6.031 8.809 6.994 558 HB3 LEU 72 HB1 LEU 72 -5.845 7.066 7.160 559 HG LEU 72 HG LEU 72 -6.469 8.504 4.558 560 HD11 LEU 72 HD11 LEU 72 -3.903 7.179 5.477 561 HD12 LEU 72 HD12 LEU 72 -4.172 8.921 5.454 562 HD13 LEU 72 HD13 LEU 72 -4.170 8.009 3.945 563 HD21 LEU 72 HD21 LEU 72 -6.901 6.455 3.709 564 HD22 LEU 72 HD22 LEU 72 -6.818 5.799 5.343 565 HD23 LEU 72 HD23 LEU 72 -5.374 5.839 4.335 566 H SER 73 HN SER 73 -9.468 9.574 6.055 567 HA SER 73 HA SER 73 -9.773 10.642 8.804 568 HB2 SER 73 HB2 SER 73 -9.221 12.612 6.616 569 HB3 SER 73 HB1 SER 73 -8.961 12.770 8.351 570 HG SER 73 HG SER 73 -7.505 11.096 6.572 571 H GLN 74 HN GLN 74 -11.904 11.038 9.118 572 HA GLN 74 HA GLN 74 -13.943 10.582 7.292 573 HB2 GLN 74 HB2 GLN 74 -14.015 11.225 9.847 574 HB3 GLN 74 HB1 GLN 74 -14.251 12.859 9.226 575 HG2 GLN 74 HG2 GLN 74 -16.454 12.172 9.308 576 HG3 GLN 74 HG1 GLN 74 -16.043 11.618 7.686 577 HE21 GLN 74 HE21 GLN 74 -15.253 9.263 7.558 578 HE22 GLN 74 HE22 GLN 74 -15.927 8.146 8.644 579 H ARG 75 HN ARG 75 -11.801 13.288 7.465 580 HA ARG 75 HA ARG 75 -13.388 15.166 5.965 581 HB2 ARG 75 HB2 ARG 75 -11.469 15.864 7.334 582 HB3 ARG 75 HB1 ARG 75 -10.383 14.939 6.296 583 HG2 ARG 75 HG2 ARG 75 -12.070 16.721 4.734 584 HG3 ARG 75 HG1 ARG 75 -11.138 17.609 5.939 585 HD2 ARG 75 HD2 ARG 75 -9.982 15.613 3.970 586 HD3 ARG 75 HD1 ARG 75 -9.888 17.366 3.809 587 HE ARG 75 HE ARG 75 -8.232 15.737 5.540 588 HH11 ARG 75 HH21 ARG 75 -9.831 18.767 5.149 589 HH12 ARG 75 HH22 ARG 75 -8.731 19.630 6.171 590 HH21 ARG 75 HH11 ARG 75 -6.787 16.847 6.878 591 HH22 ARG 75 HH12 ARG 75 -7.008 18.543 7.149 592 H ASP 76 HN ASP 76 -11.064 12.656 5.058 593 HA ASP 76 HA ASP 76 -11.152 13.447 2.238 594 HB2 ASP 76 HB2 ASP 76 -10.035 10.895 3.427 595 HB3 ASP 76 HB1 ASP 76 -9.657 11.596 1.856 596 H LEU 77 HN LEU 77 -12.600 11.081 4.375 597 HA LEU 77 HA LEU 77 -13.878 9.549 2.308 598 HB2 LEU 77 HB2 LEU 77 -13.499 8.757 4.673 599 HB3 LEU 77 HB1 LEU 77 -14.692 9.941 5.196 600 HG LEU 77 HG LEU 77 -16.230 8.781 3.410 601 HD11 LEU 77 HD11 LEU 77 -14.513 7.336 2.440 602 HD12 LEU 77 HD12 LEU 77 -15.726 6.348 3.246 603 HD13 LEU 77 HD13 LEU 77 -14.174 6.641 4.023 604 HD21 LEU 77 HD21 LEU 77 -15.512 8.017 6.190 605 HD22 LEU 77 HD22 LEU 77 -16.565 6.916 5.303 606 HD23 LEU 77 HD23 LEU 77 -17.044 8.597 5.541 607 H GLN 78 HN GLN 78 -14.653 12.337 4.307 608 HA GLN 78 HA GLN 78 -17.366 12.561 3.360 609 HB2 GLN 78 HB2 GLN 78 -16.505 13.720 5.433 610 HB3 GLN 78 HB1 GLN 78 -15.588 14.799 4.383 611 HG2 GLN 78 HG2 GLN 78 -17.500 16.064 4.622 612 HG3 GLN 78 HG1 GLN 78 -17.999 15.089 3.242 613 HE21 GLN 78 HE21 GLN 78 -19.689 13.546 3.558 614 HE22 GLN 78 HE22 GLN 78 -20.503 13.357 5.036 615 H ALA 79 HN ALA 79 -14.229 13.508 2.286 616 HA ALA 79 HA ALA 79 -15.159 15.263 0.181 617 HB1 ALA 79 HB1 ALA 79 -12.896 15.308 -0.540 618 HB2 ALA 79 HB2 ALA 79 -12.562 13.719 0.150 619 HB3 ALA 79 HB3 ALA 79 -12.779 15.113 1.210 620 H HIS 80 HN HIS 80 -14.953 11.839 0.699 621 HA HIS 80 HA HIS 80 -14.967 11.233 -2.166 622 HB2 HIS 80 HB2 HIS 80 -14.624 9.093 -1.550 623 HB3 HIS 80 HB1 HIS 80 -14.370 9.750 0.057 624 HD1 HIS 80 HD1 HIS 80 -15.670 8.523 1.750 625 HD2 HIS 80 HD2 HIS 80 -17.702 8.654 -1.875 626 HE1 HIS 80 HE1 HIS 80 -17.810 7.215 2.085 627 H ILE 81 HN ILE 81 -17.340 11.407 0.422 628 HA ILE 81 HA ILE 81 -19.615 10.523 -0.985 629 HB ILE 81 HB ILE 81 -19.804 12.898 0.856 630 HG12 ILE 81 HG12 ILE 81 -18.255 11.104 1.800 631 HG13 ILE 81 HG11 ILE 81 -19.600 11.595 2.805 632 HG21 ILE 81 HG21 ILE 81 -21.859 11.595 1.595 633 HG22 ILE 81 HG22 ILE 81 -21.562 10.519 0.232 634 HG23 ILE 81 HG23 ILE 81 -21.893 12.226 -0.049 635 HD11 ILE 81 HD11 ILE 81 -19.188 9.067 2.589 636 HD12 ILE 81 HD12 ILE 81 -19.800 9.226 0.944 637 HD13 ILE 81 HD13 ILE 81 -20.833 9.632 2.313 638 H ASN 82 HN ASN 82 -18.468 13.878 -0.556 639 HA ASN 82 HA ASN 82 -20.417 14.898 -2.424 640 HB2 ASN 82 HB2 ASN 82 -18.804 16.923 -2.446 641 HB3 ASN 82 HB1 ASN 82 -19.606 16.515 -0.931 642 HD21 ASN 82 HD21 ASN 82 -18.132 16.787 0.730 643 HD22 ASN 82 HD22 ASN 82 -16.514 16.286 0.691 644 H HIS 83 HN HIS 83 -17.278 13.447 -2.782 645 HA HIS 83 HA HIS 83 -17.025 14.529 -5.501 646 HB2 HIS 83 HB2 HIS 83 -15.310 12.609 -3.945 647 HB3 HIS 83 HB1 HIS 83 -14.971 13.077 -5.604 648 HD1 HIS 83 HD1 HIS 83 -12.747 14.024 -4.137 649 HD2 HIS 83 HD2 HIS 83 -16.326 16.155 -3.905 650 HE1 HIS 83 HE1 HIS 83 -12.147 16.348 -3.321 651 HE2 HIS 83 HE2 HIS 83 -14.318 17.652 -3.177 652 H ARG 84 HN ARG 84 -18.600 11.837 -4.093 653 HA ARG 84 HA ARG 84 -18.492 10.382 -6.685 654 HB2 ARG 84 HB2 ARG 84 -19.029 9.322 -3.919 655 HB3 ARG 84 HB1 ARG 84 -19.028 8.349 -5.388 656 HG2 ARG 84 HG2 ARG 84 -16.652 10.027 -4.542 657 HG3 ARG 84 HG1 ARG 84 -16.848 8.352 -4.035 658 HD2 ARG 84 HD2 ARG 84 -17.275 8.427 -6.854 659 HD3 ARG 84 HD1 ARG 84 -15.823 9.365 -6.517 660 HE ARG 84 HE ARG 84 -14.752 7.375 -5.801 661 HH11 ARG 84 HH21 ARG 84 -18.156 6.995 -6.205 662 HH12 ARG 84 HH22 ARG 84 -18.115 5.271 -6.053 663 HH21 ARG 84 HH11 ARG 84 -14.681 5.124 -5.605 664 HH22 ARG 84 HH12 ARG 84 -16.150 4.211 -5.714 665 H HIS 85 HN HIS 85 -20.792 11.032 -4.032 666 HA HIS 85 HA HIS 85 -22.938 11.051 -6.090 667 HB2 HIS 85 HB2 HIS 85 -24.230 9.889 -3.989 668 HB3 HIS 85 HB1 HIS 85 -23.538 8.990 -5.338 669 HD1 HIS 85 HD1 HIS 85 -22.485 6.978 -4.280 670 HD2 HIS 85 HD2 HIS 85 -21.574 10.472 -2.198 671 HE1 HIS 85 HE1 HIS 85 -20.834 6.326 -2.474 672 H MET 86 HN MET 86 -21.693 12.128 -3.045 673 HA MET 86 HA MET 86 -22.358 13.889 -1.635 674 HB2 MET 86 HB2 MET 86 -22.161 14.984 -3.982 675 HB3 MET 86 HB1 MET 86 -23.924 14.952 -3.981 676 HG2 MET 86 HG2 MET 86 -23.432 15.970 -1.497 677 HG3 MET 86 HG1 MET 86 -22.071 16.630 -2.403 678 HE1 MET 86 HE1 MET 86 -22.546 17.526 -4.992 679 HE2 MET 86 HE2 MET 86 -22.118 18.622 -3.681 680 HE3 MET 86 HE3 MET 86 -23.387 19.073 -4.818 681 H ARG 87 HN ARG 87 -24.009 11.535 -1.606 682 HA ARG 87 HA ARG 87 -26.783 12.527 -1.523 683 HB2 ARG 87 HB2 ARG 87 -25.458 9.903 -1.603 684 HB3 ARG 87 HB1 ARG 87 -26.836 9.967 -0.502 685 HG2 ARG 87 HG2 ARG 87 -28.257 10.852 -2.297 686 HG3 ARG 87 HG1 ARG 87 -26.884 10.844 -3.405 687 HD2 ARG 87 HD2 ARG 87 -28.461 8.836 -3.562 688 HD3 ARG 87 HD1 ARG 87 -26.747 8.462 -3.376 689 HE ARG 87 HE ARG 87 -27.226 7.573 -1.237 690 HH11 ARG 87 HH21 ARG 87 -29.810 9.489 -2.479 691 HH12 ARG 87 HH22 ARG 87 -30.915 9.054 -1.219 692 HH21 ARG 87 HH11 ARG 87 -28.656 6.995 0.416 693 HH22 ARG 87 HH12 ARG 87 -30.262 7.642 0.420 694 H ALA 88 HN ALA 88 -24.202 12.712 0.505 695 HA ALA 88 HA ALA 88 -24.971 11.822 3.026 696 HB1 ALA 88 HB1 ALA 88 -23.051 12.932 3.443 697 HB2 ALA 88 HB2 ALA 88 -24.000 14.416 3.484 698 HB3 ALA 88 HB3 ALA 88 -23.233 13.902 1.982 699 H GLY 89 HN GLY 89 -26.235 12.745 4.734 700 HA2 GLY 89 HA2 GLY 89 -27.982 14.023 5.666 701 HA3 GLY 89 HA1 GLY 89 -27.794 15.160 4.328 Start of MODEL 3 1 H1 VAL 1 HT1 VAL 1 -16.149 -6.605 2.218 2 H2 VAL 1 HT2 VAL 1 -14.840 -5.708 1.608 3 H3 VAL 1 HT3 VAL 1 -16.318 -4.939 1.944 4 HA VAL 1 HA VAL 1 -14.377 -4.714 3.612 5 HB VAL 1 HB VAL 1 -15.999 -4.544 5.431 6 HG11 VAL 1 HG11 VAL 1 -16.058 -3.042 3.271 7 HG12 VAL 1 HG12 VAL 1 -17.355 -2.914 4.458 8 HG13 VAL 1 HG13 VAL 1 -17.597 -3.852 2.985 9 HG21 VAL 1 HG21 VAL 1 -18.433 -5.332 4.579 10 HG22 VAL 1 HG22 VAL 1 -17.359 -6.399 5.484 11 HG23 VAL 1 HG23 VAL 1 -17.442 -6.517 3.727 12 H HIS 2 HN HIS 2 -13.101 -5.860 4.980 13 HA HIS 2 HA HIS 2 -12.157 -7.642 6.143 14 HB2 HIS 2 HB2 HIS 2 -14.395 -7.674 7.281 15 HB3 HIS 2 HB1 HIS 2 -14.925 -8.866 6.097 16 HD1 HIS 2 HD1 HIS 2 -12.691 -8.448 9.072 17 HD2 HIS 2 HD2 HIS 2 -13.713 -11.431 6.340 18 HE1 HIS 2 HE1 HIS 2 -11.780 -10.621 10.009 19 HE2 HIS 2 HE2 HIS 2 -12.397 -12.443 8.355 20 H PHE 3 HN PHE 3 -14.567 -9.001 3.909 21 HA PHE 3 HA PHE 3 -12.843 -11.218 3.184 22 HB2 PHE 3 HB2 PHE 3 -15.237 -10.209 1.633 23 HB3 PHE 3 HB1 PHE 3 -14.574 -11.844 1.651 24 HD1 PHE 3 HD1 PHE 3 -14.533 -13.076 3.937 25 HD2 PHE 3 HD2 PHE 3 -16.948 -9.616 3.129 26 HE1 PHE 3 HE1 PHE 3 -16.000 -13.652 5.853 27 HE2 PHE 3 HE2 PHE 3 -18.413 -10.191 5.046 28 HZ PHE 3 HZ PHE 3 -17.940 -12.209 6.407 29 H CYS 4 HN CYS 4 -10.973 -10.728 2.102 30 HA CYS 4 HA CYS 4 -10.354 -8.477 0.611 31 HB2 CYS 4 HB2 CYS 4 -8.911 -10.582 1.181 32 HB3 CYS 4 HB1 CYS 4 -9.455 -11.159 -0.394 33 H ASP 5 HN ASP 5 -10.563 -7.855 -1.559 34 HA ASP 5 HA ASP 5 -12.935 -8.888 -2.901 35 HB2 ASP 5 HB2 ASP 5 -11.136 -6.567 -3.165 36 HB3 ASP 5 HB1 ASP 5 -11.784 -7.166 -4.692 37 H LYS 6 HN LYS 6 -9.461 -9.346 -3.188 38 HA LYS 6 HA LYS 6 -9.859 -10.708 -5.798 39 HB2 LYS 6 HB2 LYS 6 -7.850 -9.036 -4.925 40 HB3 LYS 6 HB1 LYS 6 -7.131 -10.630 -4.719 41 HG2 LYS 6 HG2 LYS 6 -8.449 -9.670 -7.283 42 HG3 LYS 6 HG1 LYS 6 -6.716 -9.637 -6.989 43 HD2 LYS 6 HD2 LYS 6 -8.417 -12.150 -6.894 44 HD3 LYS 6 HD1 LYS 6 -7.441 -11.656 -8.273 45 HE2 LYS 6 HE2 LYS 6 -5.533 -11.533 -6.402 46 HE3 LYS 6 HE1 LYS 6 -6.577 -12.718 -5.619 47 HZ1 LYS 6 HZ1 LYS 6 -6.574 -13.902 -7.833 48 HZ2 LYS 6 HZ2 LYS 6 -5.121 -13.945 -6.955 49 HZ3 LYS 6 HZ3 LYS 6 -5.288 -12.889 -8.275 50 H CYS 7 HN CYS 7 -8.378 -11.335 -2.616 51 HA CYS 7 HA CYS 7 -8.034 -14.161 -3.234 52 HB2 CYS 7 HB2 CYS 7 -7.948 -12.930 -0.477 53 HB3 CYS 7 HB1 CYS 7 -7.114 -14.372 -1.051 54 H GLY 8 HN GLY 8 -10.635 -12.239 -2.107 55 HA2 GLY 8 HA2 GLY 8 -12.774 -12.820 -1.332 56 HA3 GLY 8 HA1 GLY 8 -12.488 -14.386 -2.091 57 H LEU 9 HN LEU 9 -10.110 -13.569 0.195 58 HA LEU 9 HA LEU 9 -11.315 -15.475 2.152 59 HB2 LEU 9 HB2 LEU 9 -8.567 -14.848 1.251 60 HB3 LEU 9 HB1 LEU 9 -8.732 -15.053 2.991 61 HG LEU 9 HG LEU 9 -9.889 -17.243 2.569 62 HD11 LEU 9 HD11 LEU 9 -8.954 -16.796 -0.281 63 HD12 LEU 9 HD12 LEU 9 -10.632 -16.660 0.244 64 HD13 LEU 9 HD13 LEU 9 -9.801 -18.213 0.337 65 HD21 LEU 9 HD21 LEU 9 -7.816 -18.438 1.858 66 HD22 LEU 9 HD22 LEU 9 -7.501 -17.208 3.082 67 HD23 LEU 9 HD23 LEU 9 -7.115 -16.888 1.391 68 HA PRO 10 HA PRO 10 -11.921 -12.226 5.057 69 HB2 PRO 10 HB2 PRO 10 -11.097 -13.360 7.421 70 HB3 PRO 10 HB1 PRO 10 -12.667 -13.653 6.651 71 HG2 PRO 10 HG2 PRO 10 -10.231 -15.347 6.683 72 HG3 PRO 10 HG1 PRO 10 -11.938 -15.818 6.677 73 HD2 PRO 10 HD2 PRO 10 -10.332 -15.930 4.450 74 HD3 PRO 10 HD1 PRO 10 -12.094 -15.722 4.377 75 H ILE 11 HN ILE 11 -10.522 -10.615 4.632 76 HA ILE 11 HA ILE 11 -7.739 -10.533 4.737 77 HB ILE 11 HB ILE 11 -9.740 -8.369 5.432 78 HG12 ILE 11 HG12 ILE 11 -8.178 -8.712 2.871 79 HG13 ILE 11 HG11 ILE 11 -9.721 -9.526 3.110 80 HG21 ILE 11 HG21 ILE 11 -7.512 -7.127 4.414 81 HG22 ILE 11 HG22 ILE 11 -6.810 -8.422 5.385 82 HG23 ILE 11 HG23 ILE 11 -7.898 -7.260 6.130 83 HD11 ILE 11 HD11 ILE 11 -9.440 -6.970 2.139 84 HD12 ILE 11 HD12 ILE 11 -9.752 -6.674 3.848 85 HD13 ILE 11 HD13 ILE 11 -10.906 -7.602 2.888 86 H LYS 12 HN LYS 12 -6.414 -11.048 6.389 87 HA LYS 12 HA LYS 12 -7.332 -10.896 9.173 88 HB2 LYS 12 HB2 LYS 12 -5.841 -12.735 8.413 89 HB3 LYS 12 HB1 LYS 12 -4.589 -11.549 8.041 90 HG2 LYS 12 HG2 LYS 12 -3.947 -11.443 10.198 91 HG3 LYS 12 HG1 LYS 12 -5.605 -11.176 10.736 92 HD2 LYS 12 HD2 LYS 12 -4.527 -13.901 9.970 93 HD3 LYS 12 HD1 LYS 12 -4.538 -13.293 11.626 94 HE2 LYS 12 HE2 LYS 12 -7.129 -12.922 10.366 95 HE3 LYS 12 HE1 LYS 12 -6.638 -14.616 10.321 96 HZ1 LYS 12 HZ1 LYS 12 -6.005 -14.200 12.768 97 HZ2 LYS 12 HZ2 LYS 12 -7.640 -14.435 12.371 98 HZ3 LYS 12 HZ3 LYS 12 -7.047 -12.867 12.654 99 H VAL 13 HN VAL 13 -5.305 -9.092 6.954 100 HA VAL 13 HA VAL 13 -5.191 -6.878 8.920 101 HB VAL 13 HB VAL 13 -2.777 -7.418 7.275 102 HG11 VAL 13 HG11 VAL 13 -3.058 -5.375 8.693 103 HG12 VAL 13 HG12 VAL 13 -1.660 -6.345 9.154 104 HG13 VAL 13 HG13 VAL 13 -3.139 -6.421 10.111 105 HG21 VAL 13 HG21 VAL 13 -1.872 -8.830 9.167 106 HG22 VAL 13 HG22 VAL 13 -3.142 -9.609 8.225 107 HG23 VAL 13 HG23 VAL 13 -3.516 -8.913 9.802 108 H TYR 14 HN TYR 14 -5.225 -4.848 7.880 109 HA TYR 14 HA TYR 14 -6.331 -4.861 5.209 110 HB2 TYR 14 HB2 TYR 14 -5.621 -2.761 7.204 111 HB3 TYR 14 HB1 TYR 14 -5.945 -2.290 5.540 112 HD1 TYR 14 HD1 TYR 14 -7.616 -5.214 7.111 113 HD2 TYR 14 HD2 TYR 14 -7.963 -1.063 6.073 114 HE1 TYR 14 HE1 TYR 14 -10.046 -5.316 7.528 115 HE2 TYR 14 HE2 TYR 14 -10.403 -1.165 6.497 116 HH TYR 14 HH TYR 14 -12.060 -4.152 6.956 117 H GLY 15 HN GLY 15 -4.925 -5.450 3.622 118 HA2 GLY 15 HA2 GLY 15 -2.192 -4.434 3.501 119 HA3 GLY 15 HA1 GLY 15 -3.002 -5.392 2.253 120 H ARG 16 HN ARG 16 -2.649 -2.170 3.576 121 HA ARG 16 HA ARG 16 -4.417 -0.874 1.700 122 HB2 ARG 16 HB2 ARG 16 -3.506 -0.021 3.969 123 HB3 ARG 16 HB1 ARG 16 -2.073 0.445 3.059 124 HG2 ARG 16 HG2 ARG 16 -3.152 2.361 2.582 125 HG3 ARG 16 HG1 ARG 16 -4.177 1.408 1.509 126 HD2 ARG 16 HD2 ARG 16 -5.624 0.892 3.534 127 HD3 ARG 16 HD1 ARG 16 -4.685 2.095 4.411 128 HE ARG 16 HE ARG 16 -5.704 3.808 3.104 129 HH11 ARG 16 HH21 ARG 16 -6.499 0.625 2.019 130 HH12 ARG 16 HH22 ARG 16 -7.848 1.151 1.069 131 HH21 ARG 16 HH11 ARG 16 -7.460 4.497 1.875 132 HH22 ARG 16 HH12 ARG 16 -8.390 3.337 0.986 133 H MET 17 HN MET 17 -3.954 0.097 -0.273 134 HA MET 17 HA MET 17 -1.147 -0.118 -1.267 135 HB2 MET 17 HB2 MET 17 -3.487 -0.416 -3.128 136 HB3 MET 17 HB1 MET 17 -1.830 -0.971 -3.338 137 HG2 MET 17 HG2 MET 17 -2.308 -2.533 -1.339 138 HG3 MET 17 HG1 MET 17 -4.003 -2.154 -1.624 139 HE1 MET 17 HE1 MET 17 -0.713 -2.987 -3.273 140 HE2 MET 17 HE2 MET 17 -1.050 -4.338 -4.350 141 HE3 MET 17 HE3 MET 17 -1.132 -4.569 -2.608 142 H ILE 18 HN ILE 18 -0.392 1.728 -2.179 143 HA ILE 18 HA ILE 18 -2.348 3.891 -2.809 144 HB ILE 18 HB ILE 18 -0.016 5.241 -2.468 145 HG12 ILE 18 HG12 ILE 18 0.069 2.977 -0.467 146 HG13 ILE 18 HG11 ILE 18 1.148 3.161 -1.852 147 HG21 ILE 18 HG21 ILE 18 -1.888 4.397 -0.226 148 HG22 ILE 18 HG22 ILE 18 -2.204 5.709 -1.359 149 HG23 ILE 18 HG23 ILE 18 -0.861 5.829 -0.226 150 HD11 ILE 18 HD11 ILE 18 1.102 5.642 -0.446 151 HD12 ILE 18 HD12 ILE 18 2.460 4.537 -0.658 152 HD13 ILE 18 HD13 ILE 18 1.385 4.358 0.729 153 HA PRO 19 HA PRO 19 -1.867 6.017 -3.650 154 HB2 PRO 19 HB2 PRO 19 -2.674 7.293 -5.893 155 HB3 PRO 19 HB1 PRO 19 -1.012 7.420 -5.286 156 HG2 PRO 19 HG2 PRO 19 -2.088 5.808 -7.535 157 HG3 PRO 19 HG1 PRO 19 -0.536 6.647 -7.384 158 HD2 PRO 19 HD2 PRO 19 -0.906 3.910 -7.003 159 HD3 PRO 19 HD1 PRO 19 0.473 4.844 -6.391 160 H CYS 20 HN CYS 20 -2.927 3.336 -5.244 161 HA CYS 20 HA CYS 20 -5.572 3.881 -6.062 162 HB2 CYS 20 HB2 CYS 20 -4.055 1.637 -5.939 163 HB3 CYS 20 HB1 CYS 20 -5.129 1.352 -4.571 164 H LYS 21 HN LYS 21 -4.245 3.296 -2.847 165 HA LYS 21 HA LYS 21 -5.132 3.773 -0.738 166 HB2 LYS 21 HB2 LYS 21 -6.320 5.675 -2.429 167 HB3 LYS 21 HB1 LYS 21 -7.673 4.943 -1.569 168 HG2 LYS 21 HG2 LYS 21 -6.341 5.292 0.572 169 HG3 LYS 21 HG1 LYS 21 -5.229 6.274 -0.383 170 HD2 LYS 21 HD2 LYS 21 -7.548 7.399 -1.153 171 HD3 LYS 21 HD1 LYS 21 -8.027 6.850 0.454 172 HE2 LYS 21 HE2 LYS 21 -5.668 8.630 -0.223 173 HE3 LYS 21 HE1 LYS 21 -7.130 9.101 0.643 174 HZ1 LYS 21 HZ1 LYS 21 -6.236 6.954 2.034 175 HZ2 LYS 21 HZ2 LYS 21 -5.995 8.579 2.467 176 HZ3 LYS 21 HZ3 LYS 21 -4.796 7.739 1.606 177 H HIS 22 HN HIS 22 -5.719 1.391 -2.369 178 HA HIS 22 HA HIS 22 -8.443 0.669 -1.426 179 HB2 HIS 22 HB2 HIS 22 -6.621 -0.334 -3.559 180 HB3 HIS 22 HB1 HIS 22 -7.732 -1.492 -2.824 181 HD2 HIS 22 HD2 HIS 22 -10.513 -0.072 -2.668 182 HE1 HIS 22 HE1 HIS 22 -9.841 1.535 -6.514 183 HE2 HIS 22 HE2 HIS 22 -11.602 1.060 -4.751 184 H VAL 23 HN VAL 23 -8.349 -1.984 -0.945 185 HA VAL 23 HA VAL 23 -6.061 -2.469 0.888 186 HB VAL 23 HB VAL 23 -8.373 -3.474 2.178 187 HG11 VAL 23 HG11 VAL 23 -7.613 -1.890 3.944 188 HG12 VAL 23 HG12 VAL 23 -6.481 -1.192 2.796 189 HG13 VAL 23 HG13 VAL 23 -6.307 -2.875 3.298 190 HG21 VAL 23 HG21 VAL 23 -9.597 -1.374 2.608 191 HG22 VAL 23 HG22 VAL 23 -9.655 -1.802 0.899 192 HG23 VAL 23 HG23 VAL 23 -8.562 -0.535 1.454 193 H PHE 24 HN PHE 24 -5.785 -4.680 1.484 194 HA PHE 24 HA PHE 24 -7.478 -6.785 0.380 195 HB2 PHE 24 HB2 PHE 24 -4.684 -6.510 -0.772 196 HB3 PHE 24 HB1 PHE 24 -5.869 -7.754 -1.164 197 HD1 PHE 24 HD2 PHE 24 -7.873 -7.212 -2.494 198 HD2 PHE 24 HD1 PHE 24 -4.858 -4.290 -1.649 199 HE1 PHE 24 HE2 PHE 24 -8.799 -5.750 -4.264 200 HE2 PHE 24 HE1 PHE 24 -5.772 -2.817 -3.421 201 HZ PHE 24 HZ PHE 24 -7.746 -3.554 -4.741 202 H CYS 25 HN CYS 25 -6.380 -8.989 0.878 203 HA CYS 25 HA CYS 25 -5.472 -8.980 3.573 204 HB2 CYS 25 HB2 CYS 25 -4.295 -11.236 2.279 205 HB3 CYS 25 HB1 CYS 25 -5.730 -11.202 3.300 206 H TYR 26 HN TYR 26 -3.658 -7.970 4.263 207 HA TYR 26 HA TYR 26 -1.536 -7.059 2.688 208 HB2 TYR 26 HB2 TYR 26 -1.889 -6.403 5.050 209 HB3 TYR 26 HB1 TYR 26 -1.368 -8.010 5.551 210 HD1 TYR 26 HD1 TYR 26 -0.104 -5.335 3.194 211 HD2 TYR 26 HD2 TYR 26 0.807 -8.125 6.336 212 HE1 TYR 26 HE1 TYR 26 2.258 -4.604 3.161 213 HE2 TYR 26 HE2 TYR 26 3.172 -7.391 6.297 214 HH TYR 26 HH TYR 26 4.308 -4.904 5.416 215 H ASP 27 HN ASP 27 -2.029 -10.279 3.987 216 HA ASP 27 HA ASP 27 0.646 -11.208 3.451 217 HB2 ASP 27 HB2 ASP 27 -1.647 -12.297 4.623 218 HB3 ASP 27 HB1 ASP 27 -1.420 -13.255 3.159 219 H CYS 28 HN CYS 28 -2.358 -11.122 1.606 220 HA CYS 28 HA CYS 28 -1.091 -12.376 -0.712 221 HB2 CYS 28 HB2 CYS 28 -3.224 -12.680 -1.393 222 HB3 CYS 28 HB1 CYS 28 -3.752 -11.923 0.109 223 H ALA 29 HN ALA 29 -1.560 -9.191 0.573 224 HA ALA 29 HA ALA 29 -1.186 -7.804 -1.930 225 HB1 ALA 29 HB1 ALA 29 -0.389 -6.592 0.704 226 HB2 ALA 29 HB2 ALA 29 -2.092 -6.955 0.422 227 HB3 ALA 29 HB3 ALA 29 -1.239 -5.845 -0.648 228 H ILE 30 HN ILE 30 0.975 -9.033 0.588 229 HA ILE 30 HA ILE 30 3.306 -7.892 -0.778 230 HB ILE 30 HB ILE 30 4.588 -8.857 1.023 231 HG12 ILE 30 HG12 ILE 30 2.008 -10.251 1.805 232 HG13 ILE 30 HG11 ILE 30 3.459 -11.045 1.202 233 HG21 ILE 30 HG21 ILE 30 2.388 -8.067 2.717 234 HG22 ILE 30 HG22 ILE 30 2.482 -7.036 1.291 235 HG23 ILE 30 HG23 ILE 30 3.879 -7.202 2.353 236 HD11 ILE 30 HD11 ILE 30 4.609 -9.778 3.217 237 HD12 ILE 30 HD12 ILE 30 3.762 -11.302 3.485 238 HD13 ILE 30 HD13 ILE 30 2.970 -9.773 3.868 239 H LEU 31 HN LEU 31 1.692 -11.024 -0.397 240 HA LEU 31 HA LEU 31 3.837 -12.459 -1.741 241 HB2 LEU 31 HB2 LEU 31 1.029 -13.128 -0.942 242 HB3 LEU 31 HB1 LEU 31 1.863 -14.172 -2.086 243 HG LEU 31 HG LEU 31 3.272 -13.340 0.426 244 HD11 LEU 31 HD11 LEU 31 2.281 -15.646 1.279 245 HD12 LEU 31 HD12 LEU 31 0.956 -15.228 0.193 246 HD13 LEU 31 HD13 LEU 31 1.386 -14.144 1.515 247 HD21 LEU 31 HD21 LEU 31 3.309 -16.081 -0.769 248 HD22 LEU 31 HD22 LEU 31 4.622 -15.159 -0.037 249 HD23 LEU 31 HD23 LEU 31 4.090 -14.786 -1.676 250 H HIS 32 HN HIS 32 1.109 -10.538 -2.746 251 HA HIS 32 HA HIS 32 1.099 -11.605 -5.471 252 HB2 HIS 32 HB2 HIS 32 -0.169 -9.178 -4.185 253 HB3 HIS 32 HB1 HIS 32 -0.303 -9.512 -5.911 254 HD1 HIS 32 HD1 HIS 32 -2.957 -9.623 -4.872 255 HD2 HIS 32 HD2 HIS 32 -0.427 -12.882 -4.254 256 HE1 HIS 32 HE1 HIS 32 -4.448 -11.599 -4.328 257 HE2 HIS 32 HE2 HIS 32 -2.919 -13.587 -3.959 258 H GLU 33 HN GLU 33 2.074 -8.497 -4.000 259 HA GLU 33 HA GLU 33 3.352 -7.461 -6.312 260 HB2 GLU 33 HB2 GLU 33 3.973 -5.735 -4.957 261 HB3 GLU 33 HB1 GLU 33 2.883 -6.511 -3.813 262 HG2 GLU 33 HG2 GLU 33 4.883 -7.829 -2.963 263 HG3 GLU 33 HG1 GLU 33 5.901 -6.772 -3.947 264 H LYS 34 HN LYS 34 4.491 -9.766 -3.888 265 HA LYS 34 HA LYS 34 7.234 -9.708 -4.910 266 HB2 LYS 34 HB2 LYS 34 5.761 -11.419 -2.912 267 HB3 LYS 34 HB1 LYS 34 7.382 -11.849 -3.456 268 HG2 LYS 34 HG2 LYS 34 8.349 -9.934 -2.522 269 HG3 LYS 34 HG1 LYS 34 6.820 -9.056 -2.494 270 HD2 LYS 34 HD2 LYS 34 6.143 -10.020 -0.527 271 HD3 LYS 34 HD1 LYS 34 6.938 -11.553 -0.885 272 HE2 LYS 34 HE2 LYS 34 8.362 -9.000 -0.077 273 HE3 LYS 34 HE1 LYS 34 8.045 -10.368 0.990 274 HZ1 LYS 34 HZ1 LYS 34 9.244 -11.299 -1.375 275 HZ2 LYS 34 HZ2 LYS 34 9.838 -11.374 0.215 276 HZ3 LYS 34 HZ3 LYS 34 10.182 -10.027 -0.762 277 H LYS 35 HN LYS 35 4.296 -11.500 -5.530 278 HA LYS 35 HA LYS 35 5.647 -13.653 -6.943 279 HB2 LYS 35 HB2 LYS 35 2.798 -12.864 -6.486 280 HB3 LYS 35 HB1 LYS 35 3.168 -13.995 -7.787 281 HG2 LYS 35 HG2 LYS 35 4.163 -15.557 -6.284 282 HG3 LYS 35 HG1 LYS 35 4.206 -14.379 -4.973 283 HD2 LYS 35 HD2 LYS 35 2.009 -14.699 -4.438 284 HD3 LYS 35 HD1 LYS 35 1.526 -14.899 -6.122 285 HE2 LYS 35 HE2 LYS 35 2.437 -17.172 -6.144 286 HE3 LYS 35 HE1 LYS 35 3.010 -16.978 -4.488 287 HZ1 LYS 35 HZ1 LYS 35 0.320 -17.436 -5.480 288 HZ2 LYS 35 HZ2 LYS 35 0.453 -16.327 -4.199 289 HZ3 LYS 35 HZ3 LYS 35 1.034 -17.913 -4.017 290 H GLY 36 HN GLY 36 5.044 -10.463 -7.731 291 HA2 GLY 36 HA2 GLY 36 5.878 -9.629 -9.895 292 HA3 GLY 36 HA1 GLY 36 5.249 -11.093 -10.650 293 H ASP 37 HN ASP 37 3.515 -9.245 -8.227 294 HA ASP 37 HA ASP 37 1.659 -8.227 -10.320 295 HB2 ASP 37 HB2 ASP 37 0.999 -9.813 -7.847 296 HB3 ASP 37 HB1 ASP 37 -0.168 -8.673 -8.514 297 H LYS 38 HN LYS 38 3.489 -6.567 -9.507 298 HA LYS 38 HA LYS 38 2.944 -5.153 -7.048 299 HB2 LYS 38 HB2 LYS 38 4.335 -3.330 -8.392 300 HB3 LYS 38 HB1 LYS 38 5.121 -4.779 -7.771 301 HG2 LYS 38 HG2 LYS 38 5.148 -5.825 -9.877 302 HG3 LYS 38 HG1 LYS 38 3.894 -4.763 -10.520 303 HD2 LYS 38 HD2 LYS 38 6.457 -3.523 -9.598 304 HD3 LYS 38 HD1 LYS 38 6.451 -4.381 -11.140 305 HE2 LYS 38 HE2 LYS 38 4.974 -2.889 -12.123 306 HE3 LYS 38 HE1 LYS 38 4.241 -2.439 -10.583 307 HZ1 LYS 38 HZ1 LYS 38 5.575 -0.634 -11.344 308 HZ2 LYS 38 HZ2 LYS 38 6.919 -1.646 -11.587 309 HZ3 LYS 38 HZ3 LYS 38 6.362 -1.332 -10.013 310 H MET 39 HN MET 39 0.651 -5.586 -8.755 311 HA MET 39 HA MET 39 -0.182 -2.757 -9.126 312 HB2 MET 39 HB2 MET 39 -0.616 -5.084 -10.994 313 HB3 MET 39 HB1 MET 39 -1.615 -3.631 -11.051 314 HG2 MET 39 HG2 MET 39 0.054 -2.346 -11.907 315 HG3 MET 39 HG1 MET 39 1.293 -3.133 -10.931 316 HE1 MET 39 HE1 MET 39 1.099 -6.564 -12.230 317 HE2 MET 39 HE2 MET 39 1.701 -5.427 -11.026 318 HE3 MET 39 HE3 MET 39 2.690 -5.819 -12.430 319 H CYS 40 HN CYS 40 -2.171 -2.281 -8.257 320 HA CYS 40 HA CYS 40 -3.341 -3.616 -6.198 321 HB2 CYS 40 HB2 CYS 40 -4.169 -1.560 -8.007 322 HB3 CYS 40 HB1 CYS 40 -5.536 -2.628 -7.699 323 HA PRO 41 HA PRO 41 -4.352 -7.525 -8.414 324 HB2 PRO 41 HB2 PRO 41 -5.505 -8.092 -5.719 325 HB3 PRO 41 HB1 PRO 41 -4.453 -9.099 -6.731 326 HG2 PRO 41 HG2 PRO 41 -3.527 -7.819 -4.587 327 HG3 PRO 41 HG1 PRO 41 -2.547 -8.034 -6.048 328 HD2 PRO 41 HD2 PRO 41 -3.877 -5.573 -5.020 329 HD3 PRO 41 HD1 PRO 41 -2.399 -5.740 -5.992 330 H GLY 42 HN GLY 42 -6.423 -5.289 -6.728 331 HA2 GLY 42 HA2 GLY 42 -8.855 -6.598 -7.864 332 HA3 GLY 42 HA1 GLY 42 -8.858 -5.407 -6.570 333 H CYS 43 HN CYS 43 -7.082 -3.510 -7.852 334 HA CYS 43 HA CYS 43 -8.978 -2.475 -9.900 335 HB2 CYS 43 HB2 CYS 43 -6.815 -0.864 -8.568 336 HB3 CYS 43 HB1 CYS 43 -8.324 -0.302 -9.289 337 H SER 44 HN SER 44 -5.602 -3.280 -9.354 338 HA SER 44 HA SER 44 -3.928 -3.713 -10.938 339 HB2 SER 44 HB2 SER 44 -6.120 -4.266 -12.377 340 HB3 SER 44 HB1 SER 44 -5.614 -2.819 -13.240 341 HG SER 44 HG SER 44 -4.659 -5.236 -13.498 342 H ASP 45 HN ASP 45 -3.473 -1.560 -9.660 343 HA ASP 45 HA ASP 45 -2.913 0.560 -11.677 344 HB2 ASP 45 HB2 ASP 45 -4.459 0.731 -9.203 345 HB3 ASP 45 HB1 ASP 45 -3.124 1.883 -9.235 346 HA PRO 46 HA PRO 46 1.293 0.476 -10.425 347 HB2 PRO 46 HB2 PRO 46 1.719 3.181 -9.757 348 HB3 PRO 46 HB1 PRO 46 1.913 2.452 -11.358 349 HG2 PRO 46 HG2 PRO 46 -0.336 4.028 -10.260 350 HG3 PRO 46 HG1 PRO 46 0.269 3.917 -11.921 351 HD2 PRO 46 HD2 PRO 46 -2.022 2.692 -11.142 352 HD3 PRO 46 HD1 PRO 46 -0.957 1.997 -12.384 353 H VAL 47 HN VAL 47 0.982 -0.745 -8.450 354 HA VAL 47 HA VAL 47 0.218 0.385 -5.940 355 HB VAL 47 HB VAL 47 2.049 -1.949 -6.554 356 HG11 VAL 47 HG11 VAL 47 1.391 -2.673 -4.250 357 HG12 VAL 47 HG12 VAL 47 0.664 -1.084 -4.006 358 HG13 VAL 47 HG13 VAL 47 2.403 -1.229 -4.270 359 HG21 VAL 47 HG21 VAL 47 -0.612 -1.641 -7.147 360 HG22 VAL 47 HG22 VAL 47 -0.691 -2.356 -5.539 361 HG23 VAL 47 HG23 VAL 47 0.161 -3.195 -6.832 362 H GLN 48 HN GLN 48 1.312 2.372 -5.587 363 HA GLN 48 HA GLN 48 4.104 2.787 -5.966 364 HB2 GLN 48 HB2 GLN 48 2.703 4.718 -5.712 365 HB3 GLN 48 HB1 GLN 48 2.090 4.144 -4.160 366 HG2 GLN 48 HG2 GLN 48 3.963 4.810 -3.023 367 HG3 GLN 48 HG1 GLN 48 5.038 4.444 -4.372 368 HE21 GLN 48 HE21 GLN 48 2.962 6.935 -2.966 369 HE22 GLN 48 HE22 GLN 48 3.452 8.184 -4.006 370 H ARG 49 HN ARG 49 2.360 2.382 -2.876 371 HA ARG 49 HA ARG 49 4.505 0.581 -1.983 372 HB2 ARG 49 HB2 ARG 49 5.618 2.154 -0.817 373 HB3 ARG 49 HB1 ARG 49 4.412 3.366 -1.233 374 HG2 ARG 49 HG2 ARG 49 3.022 2.685 0.668 375 HG3 ARG 49 HG1 ARG 49 4.161 1.389 1.060 376 HD2 ARG 49 HD2 ARG 49 5.427 4.026 0.801 377 HD3 ARG 49 HD1 ARG 49 4.244 3.938 2.106 378 HE ARG 49 HE ARG 49 5.786 1.633 2.391 379 HH11 ARG 49 HH21 ARG 49 6.291 5.038 2.222 380 HH12 ARG 49 HH22 ARG 49 7.688 5.017 3.248 381 HH21 ARG 49 HH11 ARG 49 7.608 1.585 3.731 382 HH22 ARG 49 HH12 ARG 49 8.433 3.061 4.101 383 H ILE 50 HN ILE 50 3.741 -0.921 -0.492 384 HA ILE 50 HA ILE 50 0.843 -0.742 0.076 385 HB ILE 50 HB ILE 50 2.512 -3.107 0.804 386 HG12 ILE 50 HG12 ILE 50 1.643 -2.304 -1.977 387 HG13 ILE 50 HG11 ILE 50 3.285 -2.597 -1.420 388 HG21 ILE 50 HG21 ILE 50 0.035 -2.877 1.294 389 HG22 ILE 50 HG22 ILE 50 0.485 -4.310 0.372 390 HG23 ILE 50 HG23 ILE 50 -0.227 -2.924 -0.448 391 HD11 ILE 50 HD11 ILE 50 2.547 -4.971 -0.866 392 HD12 ILE 50 HD12 ILE 50 2.623 -4.575 -2.581 393 HD13 ILE 50 HD13 ILE 50 1.067 -4.622 -1.759 394 H GLU 51 HN GLU 51 0.049 -0.763 2.127 395 HA GLU 51 HA GLU 51 1.992 -0.849 4.381 396 HB2 GLU 51 HB2 GLU 51 -0.184 1.237 4.148 397 HB3 GLU 51 HB1 GLU 51 1.065 1.129 5.390 398 HG2 GLU 51 HG2 GLU 51 2.797 1.400 3.647 399 HG3 GLU 51 HG1 GLU 51 1.527 1.581 2.437 400 H GLN 52 HN GLN 52 1.229 -1.775 6.213 401 HA GLN 52 HA GLN 52 -1.289 -3.266 5.970 402 HB2 GLN 52 HB2 GLN 52 -0.533 -4.558 7.783 403 HB3 GLN 52 HB1 GLN 52 0.965 -4.121 6.959 404 HG2 GLN 52 HG2 GLN 52 0.962 -2.053 8.543 405 HG3 GLN 52 HG1 GLN 52 -0.181 -2.992 9.504 406 HE21 GLN 52 HE21 GLN 52 0.598 -5.241 10.168 407 HE22 GLN 52 HE22 GLN 52 2.259 -5.466 10.436 408 H CYS 53 HN CYS 53 -3.049 -3.056 7.435 409 HA CYS 53 HA CYS 53 -2.973 -0.811 9.358 410 HB2 CYS 53 HB2 CYS 53 -4.411 -0.792 6.801 411 HB3 CYS 53 HB1 CYS 53 -5.449 -0.455 8.186 412 H THR 54 HN THR 54 -5.013 -0.840 10.735 413 HA THR 54 HA THR 54 -5.677 -3.646 11.340 414 HB THR 54 HB THR 54 -7.028 -1.741 13.032 415 HG1 THR 54 HG1 THR 54 -5.522 -0.329 13.388 416 HG21 THR 54 HG21 THR 54 -6.387 -4.032 13.662 417 HG22 THR 54 HG22 THR 54 -5.659 -2.858 14.758 418 HG23 THR 54 HG23 THR 54 -4.684 -3.608 13.494 419 H ARG 55 HN ARG 55 -8.053 -4.048 11.963 420 HA ARG 55 HA ARG 55 -9.733 -3.084 9.754 421 HB2 ARG 55 HB2 ARG 55 -9.647 -5.533 10.321 422 HB3 ARG 55 HB1 ARG 55 -10.368 -5.155 11.884 423 HG2 ARG 55 HG2 ARG 55 -12.308 -4.113 10.655 424 HG3 ARG 55 HG1 ARG 55 -11.611 -4.718 9.155 425 HD2 ARG 55 HD2 ARG 55 -12.997 -6.183 11.321 426 HD3 ARG 55 HD1 ARG 55 -12.908 -6.543 9.597 427 HE ARG 55 HE ARG 55 -11.041 -7.488 11.657 428 HH11 ARG 55 HH21 ARG 55 -11.685 -6.867 8.323 429 HH12 ARG 55 HH22 ARG 55 -10.520 -8.014 7.751 430 HH21 ARG 55 HH11 ARG 55 -9.518 -8.983 10.924 431 HH22 ARG 55 HH12 ARG 55 -9.294 -9.210 9.222 432 H GLY 56 HN GLY 56 -9.710 -0.980 10.713 433 HA2 GLY 56 HA2 GLY 56 -12.052 -0.020 11.694 434 HA3 GLY 56 HA1 GLY 56 -11.242 -0.530 13.177 435 H SER 57 HN SER 57 -8.882 0.344 10.967 436 HA SER 57 HA SER 57 -8.475 2.896 12.386 437 HB2 SER 57 HB2 SER 57 -6.780 1.247 10.511 438 HB3 SER 57 HB1 SER 57 -6.315 2.878 10.985 439 HG SER 57 HG SER 57 -6.678 2.053 13.211 440 H LEU 58 HN LEU 58 -9.223 1.700 9.157 441 HA LEU 58 HA LEU 58 -9.274 4.491 8.130 442 HB2 LEU 58 HB2 LEU 58 -9.929 2.228 6.326 443 HB3 LEU 58 HB1 LEU 58 -8.936 3.654 6.037 444 HG LEU 58 HG LEU 58 -8.131 1.212 7.641 445 HD11 LEU 58 HD11 LEU 58 -6.979 2.348 5.079 446 HD12 LEU 58 HD12 LEU 58 -8.167 1.048 5.111 447 HD13 LEU 58 HD13 LEU 58 -6.578 0.808 5.837 448 HD21 LEU 58 HD21 LEU 58 -5.876 2.718 7.204 449 HD22 LEU 58 HD22 LEU 58 -6.804 2.730 8.701 450 HD23 LEU 58 HD23 LEU 58 -7.087 3.968 7.480 451 H PHE 59 HN PHE 59 -11.191 4.832 6.503 452 HA PHE 59 HA PHE 59 -13.690 3.627 7.594 453 HB2 PHE 59 HB2 PHE 59 -13.301 6.577 7.020 454 HB3 PHE 59 HB1 PHE 59 -14.759 5.814 7.658 455 HD1 PHE 59 HD1 PHE 59 -11.252 6.725 8.399 456 HD2 PHE 59 HD2 PHE 59 -14.910 5.109 9.966 457 HE1 PHE 59 HE1 PHE 59 -10.362 6.943 10.703 458 HE2 PHE 59 HE2 PHE 59 -14.019 5.326 12.270 459 HZ PHE 59 HZ PHE 59 -11.744 6.243 12.638 460 H MET 60 HN MET 60 -15.000 2.916 5.988 461 HA MET 60 HA MET 60 -14.347 3.719 3.196 462 HB2 MET 60 HB2 MET 60 -16.286 1.655 3.222 463 HB3 MET 60 HB1 MET 60 -14.582 1.525 2.789 464 HG2 MET 60 HG2 MET 60 -13.996 1.151 5.151 465 HG3 MET 60 HG1 MET 60 -15.694 1.303 5.602 466 HE1 MET 60 HE1 MET 60 -14.024 -1.009 6.489 467 HE2 MET 60 HE2 MET 60 -12.977 -1.096 5.075 468 HE3 MET 60 HE3 MET 60 -13.977 -2.481 5.507 469 H CYS 61 HN CYS 61 -15.898 4.537 1.810 470 HA CYS 61 HA CYS 61 -18.023 6.096 2.943 471 HB2 CYS 61 HB2 CYS 61 -17.404 6.994 0.923 472 HB3 CYS 61 HB1 CYS 61 -17.059 5.421 0.209 473 H SER 62 HN SER 62 -19.781 5.161 3.868 474 HA SER 62 HA SER 62 -20.720 2.567 3.628 475 HB2 SER 62 HB2 SER 62 -21.920 5.145 4.404 476 HB3 SER 62 HB1 SER 62 -23.080 3.926 3.887 477 HG SER 62 HG SER 62 -21.501 4.044 6.130 478 H ILE 63 HN ILE 63 -22.282 5.270 1.896 479 HA ILE 63 HA ILE 63 -23.892 3.828 0.165 480 HB ILE 63 HB ILE 63 -22.265 6.261 -0.640 481 HG12 ILE 63 HG12 ILE 63 -24.995 6.756 0.210 482 HG13 ILE 63 HG11 ILE 63 -24.074 5.996 1.503 483 HG21 ILE 63 HG21 ILE 63 -24.125 6.704 -2.156 484 HG22 ILE 63 HG22 ILE 63 -24.991 5.291 -1.553 485 HG23 ILE 63 HG23 ILE 63 -23.500 5.086 -2.471 486 HD11 ILE 63 HD11 ILE 63 -23.258 8.474 -0.040 487 HD12 ILE 63 HD12 ILE 63 -22.291 7.697 1.214 488 HD13 ILE 63 HD13 ILE 63 -23.840 8.436 1.624 489 H VAL 64 HN VAL 64 -22.956 1.872 -0.530 490 HA VAL 64 HA VAL 64 -20.365 1.647 -1.720 491 HB VAL 64 HB VAL 64 -21.619 -0.289 -0.844 492 HG11 VAL 64 HG11 VAL 64 -23.771 -0.611 -1.387 493 HG12 VAL 64 HG12 VAL 64 -23.330 -0.823 -3.080 494 HG13 VAL 64 HG13 VAL 64 -23.704 0.785 -2.462 495 HG21 VAL 64 HG21 VAL 64 -21.525 -1.320 -3.514 496 HG22 VAL 64 HG22 VAL 64 -20.343 -1.522 -2.223 497 HG23 VAL 64 HG23 VAL 64 -20.213 -0.155 -3.328 498 H GLN 65 HN GLN 65 -22.246 0.231 -4.030 499 HA GLN 65 HA GLN 65 -22.639 0.741 -6.286 500 HB2 GLN 65 HB2 GLN 65 -24.136 2.459 -5.007 501 HB3 GLN 65 HB1 GLN 65 -22.911 3.633 -5.491 502 HG2 GLN 65 HG2 GLN 65 -23.213 2.621 -7.871 503 HG3 GLN 65 HG1 GLN 65 -24.731 1.986 -7.235 504 HE21 GLN 65 HE21 GLN 65 -26.295 3.631 -6.341 505 HE22 GLN 65 HE22 GLN 65 -26.261 5.216 -6.950 506 H GLY 66 HN GLY 66 -20.070 0.388 -6.012 507 HA2 GLY 66 HA2 GLY 66 -18.025 0.925 -7.045 508 HA3 GLY 66 HA1 GLY 66 -18.844 2.274 -7.836 509 H CYS 67 HN CYS 67 -18.253 1.486 -4.396 510 HA CYS 67 HA CYS 67 -16.621 3.947 -4.147 511 HB2 CYS 67 HB2 CYS 67 -19.244 3.437 -2.744 512 HB3 CYS 67 HB1 CYS 67 -18.024 4.505 -2.050 513 H LYS 68 HN LYS 68 -17.862 2.920 -1.192 514 HA LYS 68 HA LYS 68 -16.780 1.886 0.623 515 HB2 LYS 68 HB2 LYS 68 -17.582 -0.033 -0.933 516 HB3 LYS 68 HB1 LYS 68 -15.881 -0.186 -1.374 517 HG2 LYS 68 HG2 LYS 68 -15.390 -0.298 1.135 518 HG3 LYS 68 HG1 LYS 68 -17.126 -0.513 1.361 519 HD2 LYS 68 HD2 LYS 68 -16.738 -2.720 1.050 520 HD3 LYS 68 HD1 LYS 68 -16.534 -2.319 -0.655 521 HE2 LYS 68 HE2 LYS 68 -14.592 -3.587 0.155 522 HE3 LYS 68 HE1 LYS 68 -14.114 -1.941 -0.263 523 HZ1 LYS 68 HZ1 LYS 68 -13.923 -3.252 2.223 524 HZ2 LYS 68 HZ2 LYS 68 -14.944 -1.904 2.387 525 HZ3 LYS 68 HZ3 LYS 68 -13.365 -1.710 1.791 526 H ARG 69 HN ARG 69 -15.196 3.898 -0.605 527 HA ARG 69 HA ARG 69 -12.498 2.724 -0.891 528 HB2 ARG 69 HB2 ARG 69 -13.620 5.507 -1.243 529 HB3 ARG 69 HB1 ARG 69 -11.883 5.198 -1.247 530 HG2 ARG 69 HG2 ARG 69 -12.241 3.517 -3.073 531 HG3 ARG 69 HG1 ARG 69 -13.939 3.994 -3.123 532 HD2 ARG 69 HD2 ARG 69 -12.956 5.316 -4.806 533 HD3 ARG 69 HD1 ARG 69 -13.028 6.407 -3.422 534 HE ARG 69 HE ARG 69 -10.520 4.979 -3.465 535 HH11 ARG 69 HH21 ARG 69 -12.340 7.520 -4.918 536 HH12 ARG 69 HH22 ARG 69 -10.945 8.430 -5.390 537 HH21 ARG 69 HH11 ARG 69 -8.686 6.153 -4.071 538 HH22 ARG 69 HH12 ARG 69 -8.875 7.657 -4.910 539 H THR 70 HN THR 70 -11.427 2.309 0.991 540 HA THR 70 HA THR 70 -12.082 3.354 3.536 541 HB THR 70 HB THR 70 -9.558 2.805 3.998 542 HG1 THR 70 HG1 THR 70 -9.714 2.557 1.375 543 HG21 THR 70 HG21 THR 70 -11.573 0.730 3.103 544 HG22 THR 70 HG22 THR 70 -11.418 1.402 4.725 545 HG23 THR 70 HG23 THR 70 -10.136 0.388 4.063 546 H TYR 71 HN TYR 71 -10.506 4.805 4.853 547 HA TYR 71 HA TYR 71 -9.048 6.792 3.288 548 HB2 TYR 71 HB2 TYR 71 -11.688 7.364 4.592 549 HB3 TYR 71 HB1 TYR 71 -10.484 8.638 4.420 550 HD1 TYR 71 HD2 TYR 71 -9.419 8.916 2.050 551 HD2 TYR 71 HD1 TYR 71 -13.123 6.875 2.795 552 HE1 TYR 71 HE2 TYR 71 -10.056 9.205 -0.329 553 HE2 TYR 71 HE1 TYR 71 -13.759 7.161 0.417 554 HH TYR 71 HH TYR 71 -12.237 9.294 -1.648 555 H LEU 72 HN LEU 72 -8.173 8.511 4.841 556 HA LEU 72 HA LEU 72 -7.472 7.180 7.413 557 HB2 LEU 72 HB2 LEU 72 -5.839 9.483 6.733 558 HB3 LEU 72 HB1 LEU 72 -5.343 7.822 7.053 559 HG LEU 72 HG LEU 72 -6.424 8.859 4.413 560 HD11 LEU 72 HD11 LEU 72 -4.127 8.476 3.610 561 HD12 LEU 72 HD12 LEU 72 -3.637 7.979 5.230 562 HD13 LEU 72 HD13 LEU 72 -4.137 9.644 4.932 563 HD21 LEU 72 HD21 LEU 72 -6.200 6.202 5.530 564 HD22 LEU 72 HD22 LEU 72 -5.094 6.365 4.166 565 HD23 LEU 72 HD23 LEU 72 -6.813 6.682 3.949 566 H SER 73 HN SER 73 -9.396 9.636 6.180 567 HA SER 73 HA SER 73 -9.768 10.729 8.880 568 HB2 SER 73 HB2 SER 73 -7.814 11.985 7.648 569 HB3 SER 73 HB1 SER 73 -9.123 12.753 6.757 570 HG SER 73 HG SER 73 -8.833 14.003 8.528 571 H GLN 74 HN GLN 74 -11.889 11.184 9.114 572 HA GLN 74 HA GLN 74 -13.895 10.656 7.308 573 HB2 GLN 74 HB2 GLN 74 -13.944 11.568 9.808 574 HB3 GLN 74 HB1 GLN 74 -14.265 13.098 8.992 575 HG2 GLN 74 HG2 GLN 74 -16.425 12.263 9.256 576 HG3 GLN 74 HG1 GLN 74 -16.023 11.676 7.642 577 HE21 GLN 74 HE21 GLN 74 -15.159 9.373 7.536 578 HE22 GLN 74 HE22 GLN 74 -15.697 8.256 8.697 579 H ARG 75 HN ARG 75 -11.804 13.446 7.342 580 HA ARG 75 HA ARG 75 -13.350 15.177 5.684 581 HB2 ARG 75 HB2 ARG 75 -11.419 15.997 6.919 582 HB3 ARG 75 HB1 ARG 75 -10.351 14.922 6.015 583 HG2 ARG 75 HG2 ARG 75 -12.011 16.612 4.286 584 HG3 ARG 75 HG1 ARG 75 -10.932 17.535 5.329 585 HD2 ARG 75 HD2 ARG 75 -9.000 16.388 4.503 586 HD3 ARG 75 HD1 ARG 75 -9.988 15.180 3.683 587 HE ARG 75 HE ARG 75 -10.757 17.602 2.544 588 HH11 ARG 75 HH21 ARG 75 -7.835 15.842 3.048 589 HH12 ARG 75 HH22 ARG 75 -7.065 16.455 1.622 590 HH21 ARG 75 HH11 ARG 75 -9.769 18.410 0.680 591 HH22 ARG 75 HH12 ARG 75 -8.160 17.908 0.282 592 H ASP 76 HN ASP 76 -11.140 12.527 4.888 593 HA ASP 76 HA ASP 76 -11.275 13.162 2.025 594 HB2 ASP 76 HB2 ASP 76 -10.177 10.688 3.388 595 HB3 ASP 76 HB1 ASP 76 -9.895 11.174 1.717 596 H LEU 77 HN LEU 77 -12.699 10.897 4.300 597 HA LEU 77 HA LEU 77 -14.134 9.381 2.300 598 HB2 LEU 77 HB2 LEU 77 -13.722 8.382 4.475 599 HB3 LEU 77 HB1 LEU 77 -14.498 9.730 5.285 600 HG LEU 77 HG LEU 77 -16.204 8.465 3.264 601 HD11 LEU 77 HD11 LEU 77 -16.660 6.500 4.811 602 HD12 LEU 77 HD12 LEU 77 -15.147 6.899 5.623 603 HD13 LEU 77 HD13 LEU 77 -15.138 6.426 3.925 604 HD21 LEU 77 HD21 LEU 77 -17.852 8.766 4.978 605 HD22 LEU 77 HD22 LEU 77 -16.792 10.171 5.083 606 HD23 LEU 77 HD23 LEU 77 -16.622 8.851 6.239 607 H GLN 78 HN GLN 78 -14.670 12.254 4.250 608 HA GLN 78 HA GLN 78 -17.464 12.463 3.557 609 HB2 GLN 78 HB2 GLN 78 -16.457 13.691 5.505 610 HB3 GLN 78 HB1 GLN 78 -15.579 14.701 4.354 611 HG2 GLN 78 HG2 GLN 78 -17.595 15.877 5.004 612 HG3 GLN 78 HG1 GLN 78 -17.797 15.336 3.339 613 HE21 GLN 78 HE21 GLN 78 -19.285 13.519 2.940 614 HE22 GLN 78 HE22 GLN 78 -20.406 13.037 4.122 615 H ALA 79 HN ALA 79 -14.414 13.423 2.238 616 HA ALA 79 HA ALA 79 -15.525 15.054 0.107 617 HB1 ALA 79 HB1 ALA 79 -12.836 13.655 0.318 618 HB2 ALA 79 HB2 ALA 79 -13.173 15.299 0.861 619 HB3 ALA 79 HB3 ALA 79 -13.254 14.903 -0.855 620 H HIS 80 HN HIS 80 -15.187 11.664 0.743 621 HA HIS 80 HA HIS 80 -15.163 10.862 -2.058 622 HB2 HIS 80 HB2 HIS 80 -14.330 9.291 -0.413 623 HB3 HIS 80 HB1 HIS 80 -15.864 9.319 0.448 624 HD1 HIS 80 HD1 HIS 80 -14.136 7.708 -2.385 625 HD2 HIS 80 HD2 HIS 80 -18.057 8.083 -1.034 626 HE1 HIS 80 HE1 HIS 80 -15.493 5.958 -3.616 627 H ILE 81 HN ILE 81 -17.624 11.160 0.453 628 HA ILE 81 HA ILE 81 -19.834 10.262 -1.073 629 HB ILE 81 HB ILE 81 -20.167 12.532 0.841 630 HG12 ILE 81 HG12 ILE 81 -18.504 11.255 1.954 631 HG13 ILE 81 HG11 ILE 81 -20.035 10.859 2.717 632 HG21 ILE 81 HG21 ILE 81 -21.665 9.934 0.872 633 HG22 ILE 81 HG22 ILE 81 -22.002 11.109 -0.398 634 HG23 ILE 81 HG23 ILE 81 -22.224 11.552 1.294 635 HD11 ILE 81 HD11 ILE 81 -19.246 8.720 2.409 636 HD12 ILE 81 HD12 ILE 81 -18.268 9.169 1.015 637 HD13 ILE 81 HD13 ILE 81 -20.008 8.942 0.834 638 H ASN 82 HN ASN 82 -18.695 13.590 -0.487 639 HA ASN 82 HA ASN 82 -20.553 14.795 -2.297 640 HB2 ASN 82 HB2 ASN 82 -17.821 15.919 -1.679 641 HB3 ASN 82 HB1 ASN 82 -19.322 16.793 -1.985 642 HD21 ASN 82 HD21 ASN 82 -17.311 16.247 0.498 643 HD22 ASN 82 HD22 ASN 82 -18.411 16.114 1.784 644 H HIS 83 HN HIS 83 -17.563 13.090 -2.765 645 HA HIS 83 HA HIS 83 -17.217 14.231 -5.440 646 HB2 HIS 83 HB2 HIS 83 -15.702 12.161 -3.877 647 HB3 HIS 83 HB1 HIS 83 -15.353 12.478 -5.573 648 HD1 HIS 83 HD1 HIS 83 -12.996 13.445 -4.849 649 HD2 HIS 83 HD2 HIS 83 -16.275 15.593 -3.422 650 HE1 HIS 83 HE1 HIS 83 -12.098 15.670 -4.031 651 HE2 HIS 83 HE2 HIS 83 -14.084 16.983 -3.161 652 H ARG 84 HN ARG 84 -19.026 11.651 -4.108 653 HA ARG 84 HA ARG 84 -19.154 10.348 -6.782 654 HB2 ARG 84 HB2 ARG 84 -19.526 9.095 -4.073 655 HB3 ARG 84 HB1 ARG 84 -19.638 8.245 -5.614 656 HG2 ARG 84 HG2 ARG 84 -17.186 9.766 -4.673 657 HG3 ARG 84 HG1 ARG 84 -17.391 8.026 -4.500 658 HD2 ARG 84 HD2 ARG 84 -17.953 8.375 -7.168 659 HD3 ARG 84 HD1 ARG 84 -16.728 9.611 -6.897 660 HE ARG 84 HE ARG 84 -16.308 6.714 -6.780 661 HH11 ARG 84 HH21 ARG 84 -15.260 9.874 -5.877 662 HH12 ARG 84 HH22 ARG 84 -13.611 9.401 -5.639 663 HH21 ARG 84 HH11 ARG 84 -14.161 6.081 -6.475 664 HH22 ARG 84 HH12 ARG 84 -12.989 7.255 -5.977 665 H HIS 85 HN HIS 85 -21.161 11.102 -3.946 666 HA HIS 85 HA HIS 85 -23.441 11.419 -5.769 667 HB2 HIS 85 HB2 HIS 85 -24.636 9.891 -3.834 668 HB3 HIS 85 HB1 HIS 85 -24.124 9.288 -5.410 669 HD1 HIS 85 HD1 HIS 85 -23.298 6.982 -4.734 670 HD2 HIS 85 HD2 HIS 85 -21.617 10.021 -2.438 671 HE1 HIS 85 HE1 HIS 85 -21.486 5.900 -3.338 672 H MET 86 HN MET 86 -21.969 11.782 -2.648 673 HA MET 86 HA MET 86 -22.354 13.360 -0.952 674 HB2 MET 86 HB2 MET 86 -22.754 14.804 -3.112 675 HB3 MET 86 HB1 MET 86 -24.450 14.691 -2.646 676 HG2 MET 86 HG2 MET 86 -23.406 15.338 -0.254 677 HG3 MET 86 HG1 MET 86 -22.210 16.110 -1.296 678 HE1 MET 86 HE1 MET 86 -24.325 19.051 -0.154 679 HE2 MET 86 HE2 MET 86 -22.793 18.816 -0.994 680 HE3 MET 86 HE3 MET 86 -23.186 17.817 0.402 681 H ARG 87 HN ARG 87 -23.828 10.908 -0.974 682 HA ARG 87 HA ARG 87 -26.572 11.644 -0.169 683 HB2 ARG 87 HB2 ARG 87 -25.348 9.318 -1.262 684 HB3 ARG 87 HB1 ARG 87 -25.966 8.885 0.333 685 HG2 ARG 87 HG2 ARG 87 -28.175 9.755 -0.246 686 HG3 ARG 87 HG1 ARG 87 -27.575 10.300 -1.813 687 HD2 ARG 87 HD2 ARG 87 -26.935 7.505 -1.402 688 HD3 ARG 87 HD1 ARG 87 -28.667 7.776 -1.209 689 HE ARG 87 HE ARG 87 -28.122 9.148 -3.516 690 HH11 ARG 87 HH21 ARG 87 -27.347 6.004 -2.333 691 HH12 ARG 87 HH22 ARG 87 -27.318 5.274 -3.904 692 HH21 ARG 87 HH11 ARG 87 -28.090 8.213 -5.574 693 HH22 ARG 87 HH12 ARG 87 -27.739 6.526 -5.738 694 H ALA 88 HN ALA 88 -27.053 9.824 1.867 695 HA ALA 88 HA ALA 88 -25.888 11.185 4.139 696 HB1 ALA 88 HB1 ALA 88 -27.000 8.881 5.163 697 HB2 ALA 88 HB2 ALA 88 -27.912 9.102 3.669 698 HB3 ALA 88 HB3 ALA 88 -27.880 10.385 4.879 699 H GLY 89 HN GLY 89 -23.647 10.876 4.195 700 HA2 GLY 89 HA2 GLY 89 -22.777 8.169 5.009 701 HA3 GLY 89 HA1 GLY 89 -21.985 8.857 3.591 Start of MODEL 4 1 H1 VAL 1 HT1 VAL 1 -10.989 -6.492 9.835 2 H2 VAL 1 HT2 VAL 1 -12.569 -7.042 10.129 3 H3 VAL 1 HT3 VAL 1 -12.246 -6.056 8.784 4 HA VAL 1 HA VAL 1 -10.886 -7.786 7.797 5 HB VAL 1 HB VAL 1 -10.595 -9.899 8.844 6 HG11 VAL 1 HG11 VAL 1 -10.474 -8.150 11.279 7 HG12 VAL 1 HG12 VAL 1 -9.452 -7.763 9.895 8 HG13 VAL 1 HG13 VAL 1 -9.300 -9.328 10.694 9 HG21 VAL 1 HG21 VAL 1 -12.686 -10.498 9.700 10 HG22 VAL 1 HG22 VAL 1 -12.883 -8.970 10.558 11 HG23 VAL 1 HG23 VAL 1 -11.775 -10.194 11.178 12 H HIS 2 HN HIS 2 -11.925 -9.461 6.486 13 HA HIS 2 HA HIS 2 -14.657 -10.251 6.877 14 HB2 HIS 2 HB2 HIS 2 -15.162 -7.910 6.389 15 HB3 HIS 2 HB1 HIS 2 -14.171 -7.974 4.933 16 HD1 HIS 2 HD1 HIS 2 -17.216 -9.767 6.383 17 HD2 HIS 2 HD2 HIS 2 -15.611 -8.691 2.686 18 HE1 HIS 2 HE1 HIS 2 -18.923 -10.443 4.635 19 HE2 HIS 2 HE2 HIS 2 -17.956 -9.793 2.382 20 H PHE 3 HN PHE 3 -13.497 -9.186 3.745 21 HA PHE 3 HA PHE 3 -12.344 -11.761 3.042 22 HB2 PHE 3 HB2 PHE 3 -15.102 -10.984 2.114 23 HB3 PHE 3 HB1 PHE 3 -14.082 -12.038 1.136 24 HD1 PHE 3 HD2 PHE 3 -12.883 -13.987 2.533 25 HD2 PHE 3 HD1 PHE 3 -16.517 -11.998 3.674 26 HE1 PHE 3 HE2 PHE 3 -13.492 -15.918 3.965 27 HE2 PHE 3 HE1 PHE 3 -17.124 -13.929 5.105 28 HZ PHE 3 HZ PHE 3 -15.613 -15.889 5.251 29 H CYS 4 HN CYS 4 -10.578 -10.892 2.061 30 HA CYS 4 HA CYS 4 -10.376 -8.460 0.692 31 HB2 CYS 4 HB2 CYS 4 -8.315 -9.239 -0.140 32 HB3 CYS 4 HB1 CYS 4 -8.539 -10.160 1.345 33 H ASP 5 HN ASP 5 -10.680 -7.823 -1.450 34 HA ASP 5 HA ASP 5 -12.501 -9.529 -3.021 35 HB2 ASP 5 HB2 ASP 5 -11.495 -6.804 -3.837 36 HB3 ASP 5 HB1 ASP 5 -13.016 -7.589 -4.269 37 H LYS 6 HN LYS 6 -9.208 -9.132 -2.729 38 HA LYS 6 HA LYS 6 -8.555 -9.368 -5.577 39 HB2 LYS 6 HB2 LYS 6 -7.154 -8.234 -3.671 40 HB3 LYS 6 HB1 LYS 6 -6.598 -9.876 -3.356 41 HG2 LYS 6 HG2 LYS 6 -6.302 -9.835 -6.033 42 HG3 LYS 6 HG1 LYS 6 -6.093 -8.117 -5.705 43 HD2 LYS 6 HD2 LYS 6 -4.547 -10.333 -4.320 44 HD3 LYS 6 HD1 LYS 6 -3.936 -9.370 -5.662 45 HE2 LYS 6 HE2 LYS 6 -4.935 -7.526 -3.760 46 HE3 LYS 6 HE1 LYS 6 -3.985 -8.708 -2.861 47 HZ1 LYS 6 HZ1 LYS 6 -2.820 -6.686 -3.932 48 HZ2 LYS 6 HZ2 LYS 6 -2.936 -7.584 -5.369 49 HZ3 LYS 6 HZ3 LYS 6 -2.091 -8.214 -4.036 50 H CYS 7 HN CYS 7 -8.815 -11.455 -2.746 51 HA CYS 7 HA CYS 7 -8.501 -13.793 -4.552 52 HB2 CYS 7 HB2 CYS 7 -7.516 -14.510 -1.981 53 HB3 CYS 7 HB1 CYS 7 -6.628 -14.444 -3.503 54 H GLY 8 HN GLY 8 -10.220 -12.255 -1.988 55 HA2 GLY 8 HA2 GLY 8 -12.383 -12.940 -1.237 56 HA3 GLY 8 HA1 GLY 8 -12.120 -14.508 -1.993 57 H LEU 9 HN LEU 9 -9.492 -13.468 -0.066 58 HA LEU 9 HA LEU 9 -10.227 -15.488 1.984 59 HB2 LEU 9 HB2 LEU 9 -7.703 -14.318 0.954 60 HB3 LEU 9 HB1 LEU 9 -7.733 -14.648 2.687 61 HG LEU 9 HG LEU 9 -8.424 -16.969 2.245 62 HD11 LEU 9 HD11 LEU 9 -9.560 -17.236 0.293 63 HD12 LEU 9 HD12 LEU 9 -7.959 -17.428 -0.422 64 HD13 LEU 9 HD13 LEU 9 -8.762 -15.858 -0.465 65 HD21 LEU 9 HD21 LEU 9 -5.986 -16.285 2.278 66 HD22 LEU 9 HD22 LEU 9 -6.042 -16.242 0.516 67 HD23 LEU 9 HD23 LEU 9 -6.317 -17.760 1.370 68 HA PRO 10 HA PRO 10 -11.311 -12.464 4.994 69 HB2 PRO 10 HB2 PRO 10 -9.991 -13.379 7.247 70 HB3 PRO 10 HB1 PRO 10 -11.557 -13.972 6.667 71 HG2 PRO 10 HG2 PRO 10 -8.856 -15.165 6.367 72 HG3 PRO 10 HG1 PRO 10 -10.428 -15.956 6.563 73 HD2 PRO 10 HD2 PRO 10 -9.145 -15.809 4.155 74 HD3 PRO 10 HD1 PRO 10 -10.916 -15.853 4.300 75 H ILE 11 HN ILE 11 -10.559 -10.473 5.544 76 HA ILE 11 HA ILE 11 -7.722 -9.912 5.057 77 HB ILE 11 HB ILE 11 -10.149 -8.187 5.564 78 HG12 ILE 11 HG12 ILE 11 -8.324 -8.403 3.165 79 HG13 ILE 11 HG11 ILE 11 -9.764 -9.402 3.362 80 HG21 ILE 11 HG21 ILE 11 -8.651 -6.643 6.333 81 HG22 ILE 11 HG22 ILE 11 -8.227 -6.480 4.629 82 HG23 ILE 11 HG23 ILE 11 -7.272 -7.522 5.679 83 HD11 ILE 11 HD11 ILE 11 -9.684 -6.855 2.244 84 HD12 ILE 11 HD12 ILE 11 -10.316 -6.587 3.868 85 HD13 ILE 11 HD13 ILE 11 -11.130 -7.712 2.779 86 H LYS 12 HN LYS 12 -6.636 -10.746 6.848 87 HA LYS 12 HA LYS 12 -7.443 -10.234 9.580 88 HB2 LYS 12 HB2 LYS 12 -4.637 -10.845 8.612 89 HB3 LYS 12 HB1 LYS 12 -5.324 -11.184 10.201 90 HG2 LYS 12 HG2 LYS 12 -6.908 -12.776 9.188 91 HG3 LYS 12 HG1 LYS 12 -6.241 -12.431 7.592 92 HD2 LYS 12 HD2 LYS 12 -4.044 -13.052 9.276 93 HD3 LYS 12 HD1 LYS 12 -5.277 -14.278 9.574 94 HE2 LYS 12 HE2 LYS 12 -4.194 -13.472 6.858 95 HE3 LYS 12 HE1 LYS 12 -3.827 -14.970 7.714 96 HZ1 LYS 12 HZ1 LYS 12 -5.809 -14.703 5.943 97 HZ2 LYS 12 HZ2 LYS 12 -6.645 -14.391 7.389 98 HZ3 LYS 12 HZ3 LYS 12 -5.804 -15.854 7.189 99 H VAL 13 HN VAL 13 -5.321 -8.657 7.256 100 HA VAL 13 HA VAL 13 -5.266 -6.260 9.004 101 HB VAL 13 HB VAL 13 -2.860 -6.877 7.387 102 HG11 VAL 13 HG11 VAL 13 -3.154 -5.811 10.204 103 HG12 VAL 13 HG12 VAL 13 -3.220 -4.788 8.770 104 HG13 VAL 13 HG13 VAL 13 -1.745 -5.672 9.154 105 HG21 VAL 13 HG21 VAL 13 -3.598 -8.307 9.949 106 HG22 VAL 13 HG22 VAL 13 -1.935 -8.177 9.376 107 HG23 VAL 13 HG23 VAL 13 -3.138 -9.031 8.409 108 H TYR 14 HN TYR 14 -5.421 -4.359 7.798 109 HA TYR 14 HA TYR 14 -6.477 -4.645 5.125 110 HB2 TYR 14 HB2 TYR 14 -5.748 -2.232 6.774 111 HB3 TYR 14 HB1 TYR 14 -6.410 -2.114 5.151 112 HD1 TYR 14 HD2 TYR 14 -7.076 -3.908 8.375 113 HD2 TYR 14 HD1 TYR 14 -8.725 -1.964 4.917 114 HE1 TYR 14 HE2 TYR 14 -9.353 -4.220 9.292 115 HE2 TYR 14 HE1 TYR 14 -11.006 -2.270 5.840 116 HH TYR 14 HH TYR 14 -11.975 -2.581 8.296 117 H GLY 15 HN GLY 15 -5.084 -5.215 3.537 118 HA2 GLY 15 HA2 GLY 15 -2.346 -4.264 3.443 119 HA3 GLY 15 HA1 GLY 15 -3.181 -5.147 2.155 120 H ARG 16 HN ARG 16 -2.861 -1.974 3.667 121 HA ARG 16 HA ARG 16 -4.525 -0.584 1.795 122 HB2 ARG 16 HB2 ARG 16 -3.996 0.514 3.864 123 HB3 ARG 16 HB1 ARG 16 -2.265 0.356 3.572 124 HG2 ARG 16 HG2 ARG 16 -2.228 2.061 2.010 125 HG3 ARG 16 HG1 ARG 16 -3.904 1.797 1.531 126 HD2 ARG 16 HD2 ARG 16 -3.111 2.895 4.239 127 HD3 ARG 16 HD1 ARG 16 -3.496 3.921 2.857 128 HE ARG 16 HE ARG 16 -5.419 2.517 4.502 129 HH11 ARG 16 HH21 ARG 16 -4.652 3.573 1.311 130 HH12 ARG 16 HH22 ARG 16 -6.306 3.684 0.810 131 HH21 ARG 16 HH11 ARG 16 -7.580 2.654 3.864 132 HH22 ARG 16 HH12 ARG 16 -7.963 3.162 2.253 133 H MET 17 HN MET 17 -4.099 0.139 -0.242 134 HA MET 17 HA MET 17 -1.302 -0.210 -1.242 135 HB2 MET 17 HB2 MET 17 -3.798 -0.351 -2.931 136 HB3 MET 17 HB1 MET 17 -2.173 -0.902 -3.340 137 HG2 MET 17 HG2 MET 17 -2.344 -2.545 -1.437 138 HG3 MET 17 HG1 MET 17 -4.032 -2.076 -1.263 139 HE1 MET 17 HE1 MET 17 -1.999 -4.432 -4.588 140 HE2 MET 17 HE2 MET 17 -1.633 -4.506 -2.868 141 HE3 MET 17 HE3 MET 17 -1.341 -3.019 -3.757 142 H ILE 18 HN ILE 18 -0.360 1.507 -2.215 143 HA ILE 18 HA ILE 18 -2.041 3.913 -2.746 144 HB ILE 18 HB ILE 18 0.476 4.914 -2.468 145 HG12 ILE 18 HG12 ILE 18 0.273 2.643 -0.478 146 HG13 ILE 18 HG11 ILE 18 1.316 2.643 -1.902 147 HG21 ILE 18 HG21 ILE 18 -1.445 4.308 -0.192 148 HG22 ILE 18 HG22 ILE 18 -1.586 5.681 -1.288 149 HG23 ILE 18 HG23 ILE 18 -0.213 5.570 -0.190 150 HD11 ILE 18 HD11 ILE 18 2.634 3.368 0.002 151 HD12 ILE 18 HD12 ILE 18 1.424 4.578 0.424 152 HD13 ILE 18 HD13 ILE 18 2.371 4.757 -1.052 153 HA PRO 19 HA PRO 19 -1.301 5.970 -3.577 154 HB2 PRO 19 HB2 PRO 19 -2.016 7.391 -5.764 155 HB3 PRO 19 HB1 PRO 19 -0.328 7.279 -5.226 156 HG2 PRO 19 HG2 PRO 19 -1.701 5.881 -7.455 157 HG3 PRO 19 HG1 PRO 19 -0.042 6.491 -7.351 158 HD2 PRO 19 HD2 PRO 19 -0.785 3.824 -6.998 159 HD3 PRO 19 HD1 PRO 19 0.738 4.542 -6.439 160 H CYS 20 HN CYS 20 -2.742 3.544 -5.328 161 HA CYS 20 HA CYS 20 -5.326 4.375 -5.988 162 HB2 CYS 20 HB2 CYS 20 -4.020 1.957 -5.811 163 HB3 CYS 20 HB1 CYS 20 -5.225 1.814 -4.532 164 H LYS 21 HN LYS 21 -4.011 3.471 -2.839 165 HA LYS 21 HA LYS 21 -4.709 4.084 -0.695 166 HB2 LYS 21 HB2 LYS 21 -5.636 6.165 -2.213 167 HB3 LYS 21 HB1 LYS 21 -7.146 5.513 -1.577 168 HG2 LYS 21 HG2 LYS 21 -6.261 5.654 0.713 169 HG3 LYS 21 HG1 LYS 21 -4.729 6.272 0.093 170 HD2 LYS 21 HD2 LYS 21 -7.232 7.695 -0.709 171 HD3 LYS 21 HD1 LYS 21 -6.641 7.923 0.938 172 HE2 LYS 21 HE2 LYS 21 -4.640 8.898 0.229 173 HE3 LYS 21 HE1 LYS 21 -4.731 8.158 -1.369 174 HZ1 LYS 21 HZ1 LYS 21 -6.092 9.761 -2.138 175 HZ2 LYS 21 HZ2 LYS 21 -5.375 10.682 -0.904 176 HZ3 LYS 21 HZ3 LYS 21 -6.895 9.964 -0.658 177 H HIS 22 HN HIS 22 -5.652 1.792 -2.318 178 HA HIS 22 HA HIS 22 -8.363 1.351 -1.173 179 HB2 HIS 22 HB2 HIS 22 -6.784 0.017 -3.364 180 HB3 HIS 22 HB1 HIS 22 -8.173 -0.791 -2.631 181 HD2 HIS 22 HD2 HIS 22 -10.595 1.026 -2.693 182 HE1 HIS 22 HE1 HIS 22 -9.260 2.888 -6.240 183 HE2 HIS 22 HE2 HIS 22 -11.247 2.561 -4.698 184 H VAL 23 HN VAL 23 -8.497 -1.295 -0.649 185 HA VAL 23 HA VAL 23 -6.091 -2.024 0.920 186 HB VAL 23 HB VAL 23 -7.219 -2.247 2.980 187 HG11 VAL 23 HG11 VAL 23 -8.065 -0.010 3.420 188 HG12 VAL 23 HG12 VAL 23 -8.351 0.254 1.699 189 HG13 VAL 23 HG13 VAL 23 -6.702 0.103 2.307 190 HG21 VAL 23 HG21 VAL 23 -9.269 -3.236 2.607 191 HG22 VAL 23 HG22 VAL 23 -9.640 -2.192 1.234 192 HG23 VAL 23 HG23 VAL 23 -9.805 -1.578 2.879 193 H PHE 24 HN PHE 24 -5.983 -4.220 1.529 194 HA PHE 24 HA PHE 24 -8.105 -6.068 0.652 195 HB2 PHE 24 HB2 PHE 24 -5.312 -6.249 -0.523 196 HB3 PHE 24 HB1 PHE 24 -6.649 -7.356 -0.834 197 HD1 PHE 24 HD1 PHE 24 -5.418 -3.911 -1.337 198 HD2 PHE 24 HD2 PHE 24 -8.419 -6.792 -2.359 199 HE1 PHE 24 HE1 PHE 24 -6.181 -2.447 -3.188 200 HE2 PHE 24 HE2 PHE 24 -9.182 -5.341 -4.215 201 HZ PHE 24 HZ PHE 24 -8.056 -3.175 -4.644 202 H CYS 25 HN CYS 25 -6.142 -8.272 0.611 203 HA CYS 25 HA CYS 25 -5.804 -8.527 3.542 204 HB2 CYS 25 HB2 CYS 25 -4.857 -10.859 2.568 205 HB3 CYS 25 HB1 CYS 25 -6.579 -10.577 2.828 206 H TYR 26 HN TYR 26 -3.950 -7.536 4.217 207 HA TYR 26 HA TYR 26 -1.726 -6.846 2.688 208 HB2 TYR 26 HB2 TYR 26 -2.096 -6.118 5.032 209 HB3 TYR 26 HB1 TYR 26 -1.675 -7.738 5.579 210 HD1 TYR 26 HD1 TYR 26 -0.244 -5.165 3.206 211 HD2 TYR 26 HD2 TYR 26 0.490 -7.992 6.361 212 HE1 TYR 26 HE1 TYR 26 2.153 -4.569 3.184 213 HE2 TYR 26 HE2 TYR 26 2.892 -7.391 6.335 214 HH TYR 26 HH TYR 26 4.084 -4.652 4.682 215 H ASP 27 HN ASP 27 -2.732 -10.003 3.486 216 HA ASP 27 HA ASP 27 -0.053 -11.165 3.300 217 HB2 ASP 27 HB2 ASP 27 -2.676 -12.657 3.119 218 HB3 ASP 27 HB1 ASP 27 -1.110 -13.279 3.643 219 H CYS 28 HN CYS 28 -2.980 -11.154 1.259 220 HA CYS 28 HA CYS 28 -1.487 -12.407 -0.915 221 HB2 CYS 28 HB2 CYS 28 -4.124 -11.015 -1.304 222 HB3 CYS 28 HB1 CYS 28 -3.503 -12.451 -2.114 223 H ALA 29 HN ALA 29 -2.162 -9.207 0.209 224 HA ALA 29 HA ALA 29 -1.680 -7.839 -2.268 225 HB1 ALA 29 HB1 ALA 29 -0.943 -6.532 0.309 226 HB2 ALA 29 HB2 ALA 29 -2.619 -7.051 0.146 227 HB3 ALA 29 HB3 ALA 29 -1.933 -5.915 -1.014 228 H ILE 30 HN ILE 30 0.396 -9.036 0.352 229 HA ILE 30 HA ILE 30 2.749 -7.778 -0.839 230 HB ILE 30 HB ILE 30 3.999 -8.841 0.935 231 HG12 ILE 30 HG12 ILE 30 1.472 -10.266 1.781 232 HG13 ILE 30 HG11 ILE 30 2.739 -11.060 0.860 233 HG21 ILE 30 HG21 ILE 30 2.287 -8.172 2.882 234 HG22 ILE 30 HG22 ILE 30 1.431 -7.469 1.519 235 HG23 ILE 30 HG23 ILE 30 3.081 -6.973 1.869 236 HD11 ILE 30 HD11 ILE 30 3.109 -11.531 3.200 237 HD12 ILE 30 HD12 ILE 30 3.010 -9.817 3.603 238 HD13 ILE 30 HD13 ILE 30 4.366 -10.424 2.652 239 H LEU 31 HN LEU 31 1.209 -10.951 -0.827 240 HA LEU 31 HA LEU 31 3.435 -12.274 -2.137 241 HB2 LEU 31 HB2 LEU 31 0.505 -12.952 -1.884 242 HB3 LEU 31 HB1 LEU 31 1.604 -13.949 -2.826 243 HG LEU 31 HG LEU 31 2.367 -13.199 -0.023 244 HD11 LEU 31 HD11 LEU 31 0.165 -15.033 -0.859 245 HD12 LEU 31 HD12 LEU 31 0.331 -14.079 0.614 246 HD13 LEU 31 HD13 LEU 31 1.233 -15.582 0.432 247 HD21 LEU 31 HD21 LEU 31 2.729 -15.903 -1.230 248 HD22 LEU 31 HD22 LEU 31 3.830 -14.969 -0.219 249 HD23 LEU 31 HD23 LEU 31 3.667 -14.585 -1.932 250 H HIS 32 HN HIS 32 0.849 -10.195 -3.199 251 HA HIS 32 HA HIS 32 1.095 -10.973 -6.006 252 HB2 HIS 32 HB2 HIS 32 -0.565 -9.138 -4.414 253 HB3 HIS 32 HB1 HIS 32 -0.129 -8.504 -6.002 254 HD1 HIS 32 HD1 HIS 32 -2.025 -9.007 -7.548 255 HD2 HIS 32 HD2 HIS 32 -1.219 -12.220 -5.012 256 HE1 HIS 32 HE1 HIS 32 -3.567 -10.888 -8.260 257 HE2 HIS 32 HE2 HIS 32 -3.085 -12.847 -6.723 258 H GLU 33 HN GLU 33 2.223 -8.343 -3.917 259 HA GLU 33 HA GLU 33 3.563 -6.922 -6.067 260 HB2 GLU 33 HB2 GLU 33 3.152 -6.587 -3.217 261 HB3 GLU 33 HB1 GLU 33 4.830 -6.263 -3.648 262 HG2 GLU 33 HG2 GLU 33 2.458 -5.067 -5.102 263 HG3 GLU 33 HG1 GLU 33 3.342 -4.246 -3.817 264 H LYS 34 HN LYS 34 4.468 -9.466 -3.804 265 HA LYS 34 HA LYS 34 7.307 -9.269 -4.483 266 HB2 LYS 34 HB2 LYS 34 5.673 -11.196 -2.831 267 HB3 LYS 34 HB1 LYS 34 7.386 -11.462 -3.153 268 HG2 LYS 34 HG2 LYS 34 8.025 -9.487 -2.013 269 HG3 LYS 34 HG1 LYS 34 6.383 -8.843 -2.040 270 HD2 LYS 34 HD2 LYS 34 5.636 -10.356 -0.384 271 HD3 LYS 34 HD1 LYS 34 7.028 -11.416 -0.605 272 HE2 LYS 34 HE2 LYS 34 8.501 -9.878 0.459 273 HE3 LYS 34 HE1 LYS 34 7.324 -8.569 0.363 274 HZ1 LYS 34 HZ1 LYS 34 7.619 -10.586 2.351 275 HZ2 LYS 34 HZ2 LYS 34 6.043 -10.578 1.715 276 HZ3 LYS 34 HZ3 LYS 34 6.695 -9.163 2.391 277 H LYS 35 HN LYS 35 4.517 -11.072 -5.606 278 HA LYS 35 HA LYS 35 6.150 -13.040 -6.999 279 HB2 LYS 35 HB2 LYS 35 3.205 -12.447 -6.921 280 HB3 LYS 35 HB1 LYS 35 3.871 -13.591 -8.085 281 HG2 LYS 35 HG2 LYS 35 4.762 -14.982 -6.332 282 HG3 LYS 35 HG1 LYS 35 4.374 -13.776 -5.104 283 HD2 LYS 35 HD2 LYS 35 2.145 -14.317 -5.079 284 HD3 LYS 35 HD1 LYS 35 2.116 -14.715 -6.797 285 HE2 LYS 35 HE2 LYS 35 3.299 -16.821 -6.345 286 HE3 LYS 35 HE1 LYS 35 3.378 -16.421 -4.629 287 HZ1 LYS 35 HZ1 LYS 35 1.223 -16.922 -4.323 288 HZ2 LYS 35 HZ2 LYS 35 1.427 -17.863 -5.722 289 HZ3 LYS 35 HZ3 LYS 35 0.739 -16.313 -5.831 290 H GLY 36 HN GLY 36 3.598 -11.109 -8.429 291 HA2 GLY 36 HA2 GLY 36 5.297 -9.615 -10.212 292 HA3 GLY 36 HA1 GLY 36 4.636 -11.034 -11.034 293 H ASP 37 HN ASP 37 3.142 -9.093 -8.508 294 HA ASP 37 HA ASP 37 1.100 -8.149 -10.457 295 HB2 ASP 37 HB2 ASP 37 0.678 -9.647 -7.885 296 HB3 ASP 37 HB1 ASP 37 -0.543 -8.509 -8.455 297 H LYS 38 HN LYS 38 2.993 -6.452 -9.884 298 HA LYS 38 HA LYS 38 2.656 -4.953 -7.437 299 HB2 LYS 38 HB2 LYS 38 3.896 -3.165 -8.963 300 HB3 LYS 38 HB1 LYS 38 4.755 -4.580 -8.362 301 HG2 LYS 38 HG2 LYS 38 4.556 -5.724 -10.423 302 HG3 LYS 38 HG1 LYS 38 3.294 -4.634 -10.998 303 HD2 LYS 38 HD2 LYS 38 5.843 -3.313 -10.297 304 HD3 LYS 38 HD1 LYS 38 5.932 -4.406 -11.679 305 HE2 LYS 38 HE2 LYS 38 4.177 -3.232 -12.827 306 HE3 LYS 38 HE1 LYS 38 3.800 -2.276 -11.393 307 HZ1 LYS 38 HZ1 LYS 38 5.685 -1.742 -13.405 308 HZ2 LYS 38 HZ2 LYS 38 6.512 -1.950 -11.935 309 HZ3 LYS 38 HZ3 LYS 38 5.277 -0.791 -12.061 310 H MET 39 HN MET 39 0.230 -5.467 -8.951 311 HA MET 39 HA MET 39 -0.623 -2.655 -9.411 312 HB2 MET 39 HB2 MET 39 -0.661 -4.827 -11.267 313 HB3 MET 39 HB1 MET 39 -2.327 -4.388 -10.870 314 HG2 MET 39 HG2 MET 39 -1.828 -2.029 -11.326 315 HG3 MET 39 HG1 MET 39 -0.157 -2.447 -11.702 316 HE1 MET 39 HE1 MET 39 0.268 -2.116 -14.394 317 HE2 MET 39 HE2 MET 39 -0.767 -0.948 -13.579 318 HE3 MET 39 HE3 MET 39 -1.228 -1.568 -15.163 319 H CYS 40 HN CYS 40 -3.040 -2.439 -9.153 320 HA CYS 40 HA CYS 40 -3.867 -3.953 -6.734 321 HB2 CYS 40 HB2 CYS 40 -3.855 -1.595 -6.394 322 HB3 CYS 40 HB1 CYS 40 -4.702 -1.305 -7.913 323 HA PRO 41 HA PRO 41 -6.321 -6.001 -10.293 324 HB2 PRO 41 HB2 PRO 41 -6.858 -7.659 -7.867 325 HB3 PRO 41 HB1 PRO 41 -6.567 -8.167 -9.540 326 HG2 PRO 41 HG2 PRO 41 -4.690 -8.232 -7.569 327 HG3 PRO 41 HG1 PRO 41 -4.328 -8.127 -9.295 328 HD2 PRO 41 HD2 PRO 41 -3.873 -6.139 -7.247 329 HD3 PRO 41 HD1 PRO 41 -3.415 -6.090 -8.962 330 H GLY 42 HN GLY 42 -7.214 -4.723 -7.130 331 HA2 GLY 42 HA2 GLY 42 -10.070 -5.161 -7.520 332 HA3 GLY 42 HA1 GLY 42 -9.347 -4.123 -6.292 333 H CYS 43 HN CYS 43 -7.756 -2.588 -8.134 334 HA CYS 43 HA CYS 43 -9.862 -1.143 -9.658 335 HB2 CYS 43 HB2 CYS 43 -7.556 0.334 -8.464 336 HB3 CYS 43 HB1 CYS 43 -9.186 0.909 -8.819 337 H SER 44 HN SER 44 -6.491 -2.091 -9.401 338 HA SER 44 HA SER 44 -5.014 -2.605 -11.148 339 HB2 SER 44 HB2 SER 44 -5.734 -2.698 -13.330 340 HB3 SER 44 HB1 SER 44 -7.288 -2.715 -12.509 341 HG SER 44 HG SER 44 -5.944 -0.488 -13.648 342 H ASP 45 HN ASP 45 -3.807 -1.008 -9.915 343 HA ASP 45 HA ASP 45 -3.154 1.330 -11.598 344 HB2 ASP 45 HB2 ASP 45 -4.504 1.463 -9.019 345 HB3 ASP 45 HB1 ASP 45 -2.957 2.309 -8.981 346 HA PRO 46 HA PRO 46 0.971 0.196 -10.621 347 HB2 PRO 46 HB2 PRO 46 2.149 2.650 -10.041 348 HB3 PRO 46 HB1 PRO 46 1.871 2.017 -11.672 349 HG2 PRO 46 HG2 PRO 46 0.304 4.006 -10.124 350 HG3 PRO 46 HG1 PRO 46 0.645 3.934 -11.861 351 HD2 PRO 46 HD2 PRO 46 -1.766 3.212 -10.821 352 HD3 PRO 46 HD1 PRO 46 -1.092 2.452 -12.281 353 H VAL 47 HN VAL 47 0.213 -0.877 -8.579 354 HA VAL 47 HA VAL 47 -0.033 0.332 -6.064 355 HB VAL 47 HB VAL 47 1.183 -2.325 -6.840 356 HG11 VAL 47 HG11 VAL 47 0.830 -2.987 -4.496 357 HG12 VAL 47 HG12 VAL 47 0.370 -1.332 -4.098 358 HG13 VAL 47 HG13 VAL 47 2.018 -1.697 -4.610 359 HG21 VAL 47 HG21 VAL 47 -1.494 -1.616 -5.620 360 HG22 VAL 47 HG22 VAL 47 -1.000 -3.172 -6.277 361 HG23 VAL 47 HG23 VAL 47 -1.235 -1.794 -7.351 362 H GLN 48 HN GLN 48 1.379 1.999 -5.545 363 HA GLN 48 HA GLN 48 4.198 1.925 -6.130 364 HB2 GLN 48 HB2 GLN 48 2.907 4.038 -5.809 365 HB3 GLN 48 HB1 GLN 48 2.753 3.646 -4.097 366 HG2 GLN 48 HG2 GLN 48 4.769 4.574 -3.729 367 HG3 GLN 48 HG1 GLN 48 5.500 3.361 -4.783 368 HE21 GLN 48 HE21 GLN 48 3.828 6.547 -4.926 369 HE22 GLN 48 HE22 GLN 48 4.630 7.071 -6.328 370 H ARG 49 HN ARG 49 2.510 1.857 -2.963 371 HA ARG 49 HA ARG 49 4.419 -0.226 -2.115 372 HB2 ARG 49 HB2 ARG 49 4.272 1.701 0.019 373 HB3 ARG 49 HB1 ARG 49 5.697 1.044 -0.778 374 HG2 ARG 49 HG2 ARG 49 5.558 2.720 -2.530 375 HG3 ARG 49 HG1 ARG 49 4.034 3.330 -1.878 376 HD2 ARG 49 HD2 ARG 49 5.146 3.996 0.188 377 HD3 ARG 49 HD1 ARG 49 6.667 3.311 -0.383 378 HE ARG 49 HE ARG 49 5.592 5.896 -1.132 379 HH11 ARG 49 HH21 ARG 49 7.388 3.147 -2.184 380 HH12 ARG 49 HH22 ARG 49 8.293 4.026 -3.371 381 HH21 ARG 49 HH11 ARG 49 6.765 7.060 -2.674 382 HH22 ARG 49 HH12 ARG 49 7.940 6.242 -3.647 383 H ILE 50 HN ILE 50 3.295 -1.730 -1.048 384 HA ILE 50 HA ILE 50 0.592 -1.163 -0.131 385 HB ILE 50 HB ILE 50 2.125 -3.691 0.429 386 HG12 ILE 50 HG12 ILE 50 0.768 -2.852 -2.145 387 HG13 ILE 50 HG11 ILE 50 2.477 -3.195 -1.924 388 HG21 ILE 50 HG21 ILE 50 -0.670 -3.814 -0.432 389 HG22 ILE 50 HG22 ILE 50 -0.441 -2.876 1.043 390 HG23 ILE 50 HG23 ILE 50 0.107 -4.548 0.967 391 HD11 ILE 50 HD11 ILE 50 1.922 -5.539 -1.327 392 HD12 ILE 50 HD12 ILE 50 1.360 -5.125 -2.946 393 HD13 ILE 50 HD13 ILE 50 0.217 -5.197 -1.613 394 H GLU 51 HN GLU 51 -0.074 -1.234 2.002 395 HA GLU 51 HA GLU 51 2.035 -1.342 4.094 396 HB2 GLU 51 HB2 GLU 51 -0.025 0.863 4.001 397 HB3 GLU 51 HB1 GLU 51 1.376 0.738 5.067 398 HG2 GLU 51 HG2 GLU 51 2.853 0.799 3.045 399 HG3 GLU 51 HG1 GLU 51 1.422 1.093 2.058 400 H GLN 52 HN GLN 52 1.132 -1.528 6.286 401 HA GLN 52 HA GLN 52 -1.298 -3.226 6.238 402 HB2 GLN 52 HB2 GLN 52 1.082 -2.980 8.028 403 HB3 GLN 52 HB1 GLN 52 -0.425 -3.581 8.721 404 HG2 GLN 52 HG2 GLN 52 -0.545 -5.320 6.988 405 HG3 GLN 52 HG1 GLN 52 0.942 -4.708 6.265 406 HE21 GLN 52 HE21 GLN 52 -0.276 -6.917 8.570 407 HE22 GLN 52 HE22 GLN 52 1.184 -7.255 9.366 408 H CYS 53 HN CYS 53 -3.163 -2.624 7.245 409 HA CYS 53 HA CYS 53 -3.100 -0.344 9.149 410 HB2 CYS 53 HB2 CYS 53 -4.279 -0.354 6.477 411 HB3 CYS 53 HB1 CYS 53 -5.464 0.025 7.727 412 H THR 54 HN THR 54 -4.966 -0.318 10.584 413 HA THR 54 HA THR 54 -6.171 -3.016 10.894 414 HB THR 54 HB THR 54 -6.871 -1.485 13.115 415 HG1 THR 54 HG1 THR 54 -4.190 -0.975 12.347 416 HG21 THR 54 HG21 THR 54 -6.164 -3.789 13.234 417 HG22 THR 54 HG22 THR 54 -5.058 -2.838 14.223 418 HG23 THR 54 HG23 THR 54 -4.563 -3.381 12.620 419 H ARG 55 HN ARG 55 -8.470 -3.179 11.377 420 HA ARG 55 HA ARG 55 -10.178 -1.747 9.665 421 HB2 ARG 55 HB2 ARG 55 -11.916 -2.424 11.622 422 HB3 ARG 55 HB1 ARG 55 -11.290 -3.590 10.456 423 HG2 ARG 55 HG2 ARG 55 -9.661 -4.405 11.975 424 HG3 ARG 55 HG1 ARG 55 -9.850 -3.018 13.047 425 HD2 ARG 55 HD2 ARG 55 -12.219 -4.779 12.506 426 HD3 ARG 55 HD1 ARG 55 -10.995 -5.312 13.657 427 HE ARG 55 HE ARG 55 -11.900 -2.582 14.141 428 HH11 ARG 55 HH21 ARG 55 -12.459 -5.951 14.615 429 HH12 ARG 55 HH22 ARG 55 -13.364 -5.730 16.076 430 HH21 ARG 55 HH11 ARG 55 -13.077 -2.274 16.045 431 HH22 ARG 55 HH12 ARG 55 -13.713 -3.649 16.886 432 H GLY 56 HN GLY 56 -9.814 -1.210 13.181 433 HA2 GLY 56 HA2 GLY 56 -11.403 1.179 13.156 434 HA3 GLY 56 HA1 GLY 56 -10.270 0.723 14.430 435 H SER 57 HN SER 57 -8.691 0.691 11.437 436 HA SER 57 HA SER 57 -7.477 3.338 12.068 437 HB2 SER 57 HB2 SER 57 -6.288 0.913 11.602 438 HB3 SER 57 HB1 SER 57 -6.213 1.659 10.008 439 HG SER 57 HG SER 57 -5.510 3.102 12.325 440 H LEU 58 HN LEU 58 -9.668 1.912 9.952 441 HA LEU 58 HA LEU 58 -9.272 4.130 7.985 442 HB2 LEU 58 HB2 LEU 58 -10.159 1.319 7.305 443 HB3 LEU 58 HB1 LEU 58 -9.824 2.624 6.173 444 HG LEU 58 HG LEU 58 -7.734 1.517 8.074 445 HD11 LEU 58 HD11 LEU 58 -8.835 0.370 5.636 446 HD12 LEU 58 HD12 LEU 58 -7.676 -0.317 6.773 447 HD13 LEU 58 HD13 LEU 58 -7.116 0.720 5.462 448 HD21 LEU 58 HD21 LEU 58 -6.236 2.533 6.252 449 HD22 LEU 58 HD22 LEU 58 -7.106 3.684 7.262 450 HD23 LEU 58 HD23 LEU 58 -7.685 3.326 5.636 451 H PHE 59 HN PHE 59 -11.312 4.467 6.649 452 HA PHE 59 HA PHE 59 -13.740 3.997 8.332 453 HB2 PHE 59 HB2 PHE 59 -13.088 6.428 6.644 454 HB3 PHE 59 HB1 PHE 59 -14.563 6.192 7.584 455 HD1 PHE 59 HD2 PHE 59 -10.846 6.392 7.890 456 HD2 PHE 59 HD1 PHE 59 -14.637 6.749 9.876 457 HE1 PHE 59 HE2 PHE 59 -9.705 7.282 9.904 458 HE2 PHE 59 HE1 PHE 59 -13.498 7.641 11.891 459 HZ PHE 59 HZ PHE 59 -11.032 7.907 11.905 460 H MET 60 HN MET 60 -15.224 2.780 7.278 461 HA MET 60 HA MET 60 -14.947 2.333 4.380 462 HB2 MET 60 HB2 MET 60 -16.272 0.987 6.647 463 HB3 MET 60 HB1 MET 60 -17.167 0.921 5.128 464 HG2 MET 60 HG2 MET 60 -15.278 -0.049 3.977 465 HG3 MET 60 HG1 MET 60 -14.236 0.198 5.379 466 HE1 MET 60 HE1 MET 60 -14.465 -3.573 5.137 467 HE2 MET 60 HE2 MET 60 -13.530 -2.446 6.117 468 HE3 MET 60 HE3 MET 60 -13.795 -2.108 4.409 469 H CYS 61 HN CYS 61 -16.503 2.890 2.838 470 HA CYS 61 HA CYS 61 -18.314 5.097 3.610 471 HB2 CYS 61 HB2 CYS 61 -16.920 5.341 1.585 472 HB3 CYS 61 HB1 CYS 61 -17.684 3.914 0.887 473 H SER 62 HN SER 62 -20.563 4.989 3.443 474 HA SER 62 HA SER 62 -21.686 2.248 3.283 475 HB2 SER 62 HB2 SER 62 -22.773 4.877 4.295 476 HB3 SER 62 HB1 SER 62 -23.785 3.448 4.112 477 HG SER 62 HG SER 62 -22.591 3.912 6.213 478 H ILE 63 HN ILE 63 -22.578 5.495 2.090 479 HA ILE 63 HA ILE 63 -24.533 4.811 0.248 480 HB ILE 63 HB ILE 63 -22.335 6.880 0.034 481 HG12 ILE 63 HG12 ILE 63 -25.300 7.167 0.595 482 HG13 ILE 63 HG11 ILE 63 -24.085 7.021 1.863 483 HG21 ILE 63 HG21 ILE 63 -22.990 6.544 -2.224 484 HG22 ILE 63 HG22 ILE 63 -23.968 7.907 -1.681 485 HG23 ILE 63 HG23 ILE 63 -24.679 6.297 -1.782 486 HD11 ILE 63 HD11 ILE 63 -23.410 9.163 1.608 487 HD12 ILE 63 HD12 ILE 63 -24.896 9.395 0.689 488 HD13 ILE 63 HD13 ILE 63 -23.389 9.031 -0.151 489 H VAL 64 HN VAL 64 -24.588 3.731 -1.680 490 HA VAL 64 HA VAL 64 -23.811 2.264 -3.350 491 HB VAL 64 HB VAL 64 -21.796 4.525 -3.479 492 HG11 VAL 64 HG11 VAL 64 -20.627 3.049 -4.766 493 HG12 VAL 64 HG12 VAL 64 -21.852 3.428 -5.977 494 HG13 VAL 64 HG13 VAL 64 -22.016 1.984 -4.979 495 HG21 VAL 64 HG21 VAL 64 -24.172 5.113 -3.907 496 HG22 VAL 64 HG22 VAL 64 -24.244 3.862 -5.149 497 HG23 VAL 64 HG23 VAL 64 -23.192 5.261 -5.366 498 H GLN 65 HN GLN 65 -23.236 0.695 -1.581 499 HA GLN 65 HA GLN 65 -20.749 0.447 -0.334 500 HB2 GLN 65 HB2 GLN 65 -22.759 -1.541 -1.330 501 HB3 GLN 65 HB1 GLN 65 -21.199 -2.132 -0.758 502 HG2 GLN 65 HG2 GLN 65 -21.540 -1.311 1.416 503 HG3 GLN 65 HG1 GLN 65 -22.780 -0.171 0.892 504 HE21 GLN 65 HE21 GLN 65 -22.217 -3.440 1.975 505 HE22 GLN 65 HE22 GLN 65 -23.831 -3.959 1.893 506 H GLY 66 HN GLY 66 -21.398 0.406 -3.679 507 HA2 GLY 66 HA2 GLY 66 -19.396 -1.365 -4.651 508 HA3 GLY 66 HA1 GLY 66 -20.006 0.039 -5.531 509 H CYS 67 HN CYS 67 -19.200 2.171 -4.072 510 HA CYS 67 HA CYS 67 -16.484 2.510 -4.736 511 HB2 CYS 67 HB2 CYS 67 -16.544 4.423 -3.075 512 HB3 CYS 67 HB1 CYS 67 -17.840 4.449 -4.271 513 H LYS 68 HN LYS 68 -17.768 2.042 -1.418 514 HA LYS 68 HA LYS 68 -16.680 1.219 0.498 515 HB2 LYS 68 HB2 LYS 68 -16.957 -0.805 -1.138 516 HB3 LYS 68 HB1 LYS 68 -15.211 -0.660 -1.334 517 HG2 LYS 68 HG2 LYS 68 -15.240 -2.081 0.478 518 HG3 LYS 68 HG1 LYS 68 -15.312 -0.543 1.339 519 HD2 LYS 68 HD2 LYS 68 -17.096 -1.680 2.312 520 HD3 LYS 68 HD1 LYS 68 -17.913 -0.819 1.008 521 HE2 LYS 68 HE2 LYS 68 -18.719 -2.953 0.625 522 HE3 LYS 68 HE1 LYS 68 -17.262 -3.002 -0.367 523 HZ1 LYS 68 HZ1 LYS 68 -16.231 -3.742 1.932 524 HZ2 LYS 68 HZ2 LYS 68 -16.930 -4.859 0.859 525 HZ3 LYS 68 HZ3 LYS 68 -17.815 -4.291 2.193 526 H ARG 69 HN ARG 69 -15.148 3.109 -1.560 527 HA ARG 69 HA ARG 69 -12.364 2.601 -1.222 528 HB2 ARG 69 HB2 ARG 69 -13.808 5.253 -1.528 529 HB3 ARG 69 HB1 ARG 69 -12.073 5.009 -1.741 530 HG2 ARG 69 HG2 ARG 69 -12.476 3.469 -3.591 531 HG3 ARG 69 HG1 ARG 69 -14.218 3.584 -3.342 532 HD2 ARG 69 HD2 ARG 69 -14.254 5.885 -4.000 533 HD3 ARG 69 HD1 ARG 69 -12.494 5.997 -3.943 534 HE ARG 69 HE ARG 69 -14.076 4.866 -6.133 535 HH11 ARG 69 HH21 ARG 69 -11.060 5.021 -4.470 536 HH12 ARG 69 HH22 ARG 69 -10.127 4.522 -5.841 537 HH21 ARG 69 HH11 ARG 69 -12.875 4.213 -7.933 538 HH22 ARG 69 HH12 ARG 69 -11.154 4.063 -7.801 539 H THR 70 HN THR 70 -11.463 2.324 0.775 540 HA THR 70 HA THR 70 -12.536 3.712 3.116 541 HB THR 70 HB THR 70 -10.103 2.600 3.863 542 HG1 THR 70 HG1 THR 70 -9.745 1.552 1.990 543 HG21 THR 70 HG21 THR 70 -11.536 0.752 4.746 544 HG22 THR 70 HG22 THR 70 -12.878 1.389 3.795 545 HG23 THR 70 HG23 THR 70 -12.181 2.356 5.095 546 H TYR 71 HN TYR 71 -10.738 4.741 4.607 547 HA TYR 71 HA TYR 71 -8.620 6.151 3.168 548 HB2 TYR 71 HB2 TYR 71 -11.024 7.624 4.272 549 HB3 TYR 71 HB1 TYR 71 -9.498 8.413 3.885 550 HD1 TYR 71 HD2 TYR 71 -12.440 6.670 2.497 551 HD2 TYR 71 HD1 TYR 71 -8.759 8.685 1.586 552 HE1 TYR 71 HE2 TYR 71 -13.110 6.818 0.112 553 HE2 TYR 71 HE1 TYR 71 -9.427 8.831 -0.797 554 HH TYR 71 HH TYR 71 -11.981 8.812 -1.991 555 H LEU 72 HN LEU 72 -8.136 8.136 5.065 556 HA LEU 72 HA LEU 72 -7.654 6.539 7.536 557 HB2 LEU 72 HB2 LEU 72 -5.925 8.853 7.250 558 HB3 LEU 72 HB1 LEU 72 -5.492 7.162 7.487 559 HG LEU 72 HG LEU 72 -6.235 8.420 4.825 560 HD11 LEU 72 HD11 LEU 72 -4.094 9.145 4.895 561 HD12 LEU 72 HD12 LEU 72 -3.645 7.452 4.687 562 HD13 LEU 72 HD13 LEU 72 -3.719 8.152 6.304 563 HD21 LEU 72 HD21 LEU 72 -6.484 6.301 4.093 564 HD22 LEU 72 HD22 LEU 72 -6.196 5.698 5.725 565 HD23 LEU 72 HD23 LEU 72 -4.843 5.929 4.619 566 H SER 73 HN SER 73 -9.311 9.235 6.298 567 HA SER 73 HA SER 73 -9.891 10.120 9.066 568 HB2 SER 73 HB2 SER 73 -8.943 12.000 6.886 569 HB3 SER 73 HB1 SER 73 -9.556 12.498 8.461 570 HG SER 73 HG SER 73 -7.832 11.051 9.297 571 H GLN 74 HN GLN 74 -12.050 10.430 9.269 572 HA GLN 74 HA GLN 74 -13.953 9.900 7.316 573 HB2 GLN 74 HB2 GLN 74 -14.202 10.461 9.879 574 HB3 GLN 74 HB1 GLN 74 -14.509 12.095 9.289 575 HG2 GLN 74 HG2 GLN 74 -16.664 11.262 9.237 576 HG3 GLN 74 HG1 GLN 74 -16.134 10.800 7.619 577 HE21 GLN 74 HE21 GLN 74 -15.228 8.509 7.422 578 HE22 GLN 74 HE22 GLN 74 -15.862 7.308 8.439 579 H ARG 75 HN ARG 75 -11.923 12.658 7.562 580 HA ARG 75 HA ARG 75 -13.591 14.501 6.067 581 HB2 ARG 75 HB2 ARG 75 -11.830 15.355 7.514 582 HB3 ARG 75 HB1 ARG 75 -10.611 14.449 6.619 583 HG2 ARG 75 HG2 ARG 75 -12.260 16.158 4.898 584 HG3 ARG 75 HG1 ARG 75 -11.348 17.062 6.106 585 HD2 ARG 75 HD2 ARG 75 -10.112 14.959 4.312 586 HD3 ARG 75 HD1 ARG 75 -10.101 16.683 3.944 587 HE ARG 75 HE ARG 75 -9.061 16.391 6.557 588 HH11 ARG 75 HH21 ARG 75 -8.375 15.478 3.304 589 HH12 ARG 75 HH22 ARG 75 -6.657 15.461 3.531 590 HH21 ARG 75 HH11 ARG 75 -6.824 16.374 6.872 591 HH22 ARG 75 HH12 ARG 75 -5.780 15.969 5.551 592 H ASP 76 HN ASP 76 -11.131 12.115 5.250 593 HA ASP 76 HA ASP 76 -11.059 12.947 2.439 594 HB2 ASP 76 HB2 ASP 76 -9.776 10.738 4.039 595 HB3 ASP 76 HB1 ASP 76 -9.739 10.702 2.276 596 H LEU 77 HN LEU 77 -12.528 10.454 4.432 597 HA LEU 77 HA LEU 77 -13.648 8.996 2.207 598 HB2 LEU 77 HB2 LEU 77 -13.330 7.847 4.318 599 HB3 LEU 77 HB1 LEU 77 -14.273 9.064 5.168 600 HG LEU 77 HG LEU 77 -15.716 7.867 2.913 601 HD11 LEU 77 HD11 LEU 77 -16.102 5.716 4.012 602 HD12 LEU 77 HD12 LEU 77 -14.963 6.142 5.284 603 HD13 LEU 77 HD13 LEU 77 -14.393 5.903 3.631 604 HD21 LEU 77 HD21 LEU 77 -17.509 7.897 4.504 605 HD22 LEU 77 HD22 LEU 77 -16.571 9.359 4.807 606 HD23 LEU 77 HD23 LEU 77 -16.389 7.959 5.864 607 H GLN 78 HN GLN 78 -14.576 11.628 4.325 608 HA GLN 78 HA GLN 78 -17.310 11.724 3.393 609 HB2 GLN 78 HB2 GLN 78 -16.779 12.782 5.526 610 HB3 GLN 78 HB1 GLN 78 -15.569 13.804 4.754 611 HG2 GLN 78 HG2 GLN 78 -17.733 14.991 5.191 612 HG3 GLN 78 HG1 GLN 78 -17.288 14.973 3.487 613 HE21 GLN 78 HE21 GLN 78 -18.826 14.121 2.054 614 HE22 GLN 78 HE22 GLN 78 -20.194 13.234 2.527 615 H ALA 79 HN ALA 79 -14.227 12.936 2.436 616 HA ALA 79 HA ALA 79 -15.246 14.773 0.438 617 HB1 ALA 79 HB1 ALA 79 -12.943 14.959 1.400 618 HB2 ALA 79 HB2 ALA 79 -12.926 14.844 -0.359 619 HB3 ALA 79 HB3 ALA 79 -12.527 13.432 0.621 620 H HIS 80 HN HIS 80 -14.777 11.347 0.716 621 HA HIS 80 HA HIS 80 -14.627 10.899 -2.170 622 HB2 HIS 80 HB2 HIS 80 -13.847 8.985 -1.219 623 HB3 HIS 80 HB1 HIS 80 -14.796 9.214 0.241 624 HD1 HIS 80 HD1 HIS 80 -15.554 8.439 -3.416 625 HD2 HIS 80 HD2 HIS 80 -16.799 7.364 0.407 626 HE1 HIS 80 HE1 HIS 80 -17.351 6.679 -3.721 627 H ILE 81 HN ILE 81 -17.142 10.920 0.279 628 HA ILE 81 HA ILE 81 -19.351 10.051 -1.263 629 HB ILE 81 HB ILE 81 -19.433 12.279 0.774 630 HG12 ILE 81 HG12 ILE 81 -18.111 10.477 1.653 631 HG13 ILE 81 HG11 ILE 81 -19.646 10.547 2.503 632 HG21 ILE 81 HG21 ILE 81 -21.665 11.916 0.984 633 HG22 ILE 81 HG22 ILE 81 -21.538 10.192 0.671 634 HG23 ILE 81 HG23 ILE 81 -21.497 11.335 -0.668 635 HD11 ILE 81 HD11 ILE 81 -19.248 8.229 2.052 636 HD12 ILE 81 HD12 ILE 81 -18.778 8.562 0.390 637 HD13 ILE 81 HD13 ILE 81 -20.459 8.741 0.879 638 H ASN 82 HN ASN 82 -18.444 13.380 -0.523 639 HA ASN 82 HA ASN 82 -20.288 14.463 -2.440 640 HB2 ASN 82 HB2 ASN 82 -18.860 16.570 -2.177 641 HB3 ASN 82 HB1 ASN 82 -19.627 15.943 -0.719 642 HD21 ASN 82 HD21 ASN 82 -18.127 16.414 0.901 643 HD22 ASN 82 HD22 ASN 82 -16.496 15.955 0.859 644 H HIS 83 HN HIS 83 -17.122 13.112 -2.744 645 HA HIS 83 HA HIS 83 -16.675 14.511 -5.285 646 HB2 HIS 83 HB2 HIS 83 -15.088 12.416 -3.828 647 HB3 HIS 83 HB1 HIS 83 -14.651 12.982 -5.433 648 HD1 HIS 83 HD1 HIS 83 -12.473 13.787 -3.843 649 HD2 HIS 83 HD2 HIS 83 -16.020 15.965 -3.562 650 HE1 HIS 83 HE1 HIS 83 -11.861 16.033 -2.838 651 HE2 HIS 83 HE2 HIS 83 -14.012 17.365 -2.663 652 H ARG 84 HN ARG 84 -18.320 11.641 -4.329 653 HA ARG 84 HA ARG 84 -18.193 10.681 -7.153 654 HB2 ARG 84 HB2 ARG 84 -18.515 8.984 -4.684 655 HB3 ARG 84 HB1 ARG 84 -18.356 8.401 -6.339 656 HG2 ARG 84 HG2 ARG 84 -16.262 10.052 -4.887 657 HG3 ARG 84 HG1 ARG 84 -16.208 8.301 -5.058 658 HD2 ARG 84 HD2 ARG 84 -16.583 9.060 -7.660 659 HD3 ARG 84 HD1 ARG 84 -15.620 10.402 -7.047 660 HE ARG 84 HE ARG 84 -14.702 7.646 -7.396 661 HH11 ARG 84 HH21 ARG 84 -14.332 10.675 -5.789 662 HH12 ARG 84 HH22 ARG 84 -12.658 10.424 -5.420 663 HH21 ARG 84 HH11 ARG 84 -12.518 7.303 -6.922 664 HH22 ARG 84 HH12 ARG 84 -11.631 8.516 -6.061 665 H HIS 85 HN HIS 85 -20.292 10.866 -4.289 666 HA HIS 85 HA HIS 85 -22.594 10.150 -6.018 667 HB2 HIS 85 HB2 HIS 85 -22.819 10.762 -3.089 668 HB3 HIS 85 HB1 HIS 85 -23.779 9.654 -4.069 669 HD1 HIS 85 HD1 HIS 85 -21.746 7.856 -5.332 670 HD2 HIS 85 HD2 HIS 85 -21.382 9.151 -1.393 671 HE1 HIS 85 HE1 HIS 85 -20.230 6.190 -4.171 672 H MET 86 HN MET 86 -21.498 12.669 -3.804 673 HA MET 86 HA MET 86 -22.310 14.870 -3.493 674 HB2 MET 86 HB2 MET 86 -20.949 14.595 -5.782 675 HB3 MET 86 HB1 MET 86 -22.502 15.087 -6.457 676 HG2 MET 86 HG2 MET 86 -22.385 16.941 -4.580 677 HG3 MET 86 HG1 MET 86 -20.654 16.607 -4.650 678 HE1 MET 86 HE1 MET 86 -19.678 19.139 -7.037 679 HE2 MET 86 HE2 MET 86 -19.111 17.690 -6.210 680 HE3 MET 86 HE3 MET 86 -20.023 18.904 -5.318 681 H ARG 87 HN ARG 87 -24.411 12.814 -3.672 682 HA ARG 87 HA ARG 87 -26.602 14.301 -5.021 683 HB2 ARG 87 HB2 ARG 87 -26.032 11.623 -5.016 684 HB3 ARG 87 HB1 ARG 87 -27.218 11.727 -3.715 685 HG2 ARG 87 HG2 ARG 87 -28.773 12.913 -5.221 686 HG3 ARG 87 HG1 ARG 87 -27.590 12.806 -6.526 687 HD2 ARG 87 HD2 ARG 87 -29.396 11.016 -6.556 688 HD3 ARG 87 HD1 ARG 87 -27.738 10.414 -6.585 689 HE ARG 87 HE ARG 87 -28.074 9.515 -4.417 690 HH11 ARG 87 HH21 ARG 87 -30.555 11.721 -5.347 691 HH12 ARG 87 HH22 ARG 87 -31.579 11.342 -4.003 692 HH21 ARG 87 HH11 ARG 87 -29.396 9.008 -2.656 693 HH22 ARG 87 HH12 ARG 87 -30.923 9.807 -2.478 694 H ALA 88 HN ALA 88 -25.215 14.804 -2.285 695 HA ALA 88 HA ALA 88 -26.868 14.254 -0.115 696 HB1 ALA 88 HB1 ALA 88 -26.206 16.700 0.605 697 HB2 ALA 88 HB2 ALA 88 -25.196 16.641 -0.839 698 HB3 ALA 88 HB3 ALA 88 -24.956 15.465 0.453 699 H GLY 89 HN GLY 89 -28.714 15.294 0.802 700 HA2 GLY 89 HA2 GLY 89 -30.555 16.835 0.795 701 HA3 GLY 89 HA1 GLY 89 -30.087 17.349 -0.826 Start of MODEL 5 1 H1 VAL 1 HT1 VAL 1 -12.094 -6.031 7.691 2 H2 VAL 1 HT2 VAL 1 -13.108 -5.736 9.022 3 H3 VAL 1 HT3 VAL 1 -13.674 -5.472 7.442 4 HA VAL 1 HA VAL 1 -14.195 -7.671 8.833 5 HB VAL 1 HB VAL 1 -15.051 -6.874 6.561 6 HG11 VAL 1 HG11 VAL 1 -12.506 -7.132 5.741 7 HG12 VAL 1 HG12 VAL 1 -13.873 -7.263 4.633 8 HG13 VAL 1 HG13 VAL 1 -13.111 -8.721 5.269 9 HG21 VAL 1 HG21 VAL 1 -16.144 -8.848 6.402 10 HG22 VAL 1 HG22 VAL 1 -15.128 -9.416 7.723 11 HG23 VAL 1 HG23 VAL 1 -14.657 -9.723 6.053 12 H HIS 2 HN HIS 2 -13.448 -9.957 7.378 13 HA HIS 2 HA HIS 2 -10.495 -10.101 7.557 14 HB2 HIS 2 HB2 HIS 2 -10.583 -12.090 8.984 15 HB3 HIS 2 HB1 HIS 2 -11.321 -10.709 9.794 16 HD1 HIS 2 HD1 HIS 2 -12.305 -13.231 10.919 17 HD2 HIS 2 HD2 HIS 2 -14.000 -11.671 7.441 18 HE1 HIS 2 HE1 HIS 2 -14.604 -14.275 10.710 19 HE2 HIS 2 HE2 HIS 2 -15.643 -13.334 8.596 20 H PHE 3 HN PHE 3 -11.781 -10.124 5.215 21 HA PHE 3 HA PHE 3 -11.218 -12.793 4.186 22 HB2 PHE 3 HB2 PHE 3 -13.767 -12.516 5.000 23 HB3 PHE 3 HB1 PHE 3 -13.911 -11.789 3.399 24 HD1 PHE 3 HD2 PHE 3 -12.560 -14.817 5.139 25 HD2 PHE 3 HD1 PHE 3 -14.117 -13.154 1.497 26 HE1 PHE 3 HE2 PHE 3 -12.567 -17.074 4.111 27 HE2 PHE 3 HE1 PHE 3 -14.123 -15.412 0.469 28 HZ PHE 3 HZ PHE 3 -13.348 -17.372 1.777 29 H CYS 4 HN CYS 4 -9.754 -11.956 2.729 30 HA CYS 4 HA CYS 4 -9.735 -9.519 1.427 31 HB2 CYS 4 HB2 CYS 4 -7.972 -11.294 1.238 32 HB3 CYS 4 HB1 CYS 4 -9.009 -12.139 0.093 33 H ASP 5 HN ASP 5 -10.632 -8.678 -0.474 34 HA ASP 5 HA ASP 5 -13.160 -9.948 -1.299 35 HB2 ASP 5 HB2 ASP 5 -13.827 -7.807 -1.487 36 HB3 ASP 5 HB1 ASP 5 -12.197 -7.260 -1.090 37 H LYS 6 HN LYS 6 -9.925 -9.331 -2.530 38 HA LYS 6 HA LYS 6 -10.748 -10.166 -5.246 39 HB2 LYS 6 HB2 LYS 6 -8.635 -8.555 -4.145 40 HB3 LYS 6 HB1 LYS 6 -7.940 -9.860 -5.106 41 HG2 LYS 6 HG2 LYS 6 -10.174 -8.056 -6.078 42 HG3 LYS 6 HG1 LYS 6 -8.468 -7.791 -6.436 43 HD2 LYS 6 HD2 LYS 6 -8.489 -9.353 -8.060 44 HD3 LYS 6 HD1 LYS 6 -9.227 -10.540 -6.985 45 HE2 LYS 6 HE2 LYS 6 -11.446 -9.557 -7.408 46 HE3 LYS 6 HE1 LYS 6 -10.715 -8.350 -8.466 47 HZ1 LYS 6 HZ1 LYS 6 -11.529 -10.945 -9.110 48 HZ2 LYS 6 HZ2 LYS 6 -9.837 -10.887 -9.265 49 HZ3 LYS 6 HZ3 LYS 6 -10.809 -9.790 -10.125 50 H CYS 7 HN CYS 7 -8.718 -11.287 -2.561 51 HA CYS 7 HA CYS 7 -8.100 -13.760 -4.058 52 HB2 CYS 7 HB2 CYS 7 -7.172 -13.279 -1.257 53 HB3 CYS 7 HB1 CYS 7 -6.339 -14.080 -2.590 54 H GLY 8 HN GLY 8 -10.037 -12.644 -1.352 55 HA2 GLY 8 HA2 GLY 8 -11.866 -13.793 -0.369 56 HA3 GLY 8 HA1 GLY 8 -11.456 -15.209 -1.336 57 H LEU 9 HN LEU 9 -8.664 -14.119 0.151 58 HA LEU 9 HA LEU 9 -8.849 -16.288 2.164 59 HB2 LEU 9 HB2 LEU 9 -6.663 -14.832 0.777 60 HB3 LEU 9 HB1 LEU 9 -6.333 -15.290 2.448 61 HG LEU 9 HG LEU 9 -6.934 -17.626 1.936 62 HD11 LEU 9 HD11 LEU 9 -7.031 -18.027 -0.688 63 HD12 LEU 9 HD12 LEU 9 -7.647 -16.374 -0.691 64 HD13 LEU 9 HD13 LEU 9 -8.490 -17.628 0.217 65 HD21 LEU 9 HD21 LEU 9 -4.881 -16.309 0.139 66 HD22 LEU 9 HD22 LEU 9 -5.046 -18.059 0.278 67 HD23 LEU 9 HD23 LEU 9 -4.604 -17.101 1.691 68 HA PRO 10 HA PRO 10 -9.571 -13.625 5.596 69 HB2 PRO 10 HB2 PRO 10 -7.618 -14.475 7.392 70 HB3 PRO 10 HB1 PRO 10 -9.226 -15.190 7.188 71 HG2 PRO 10 HG2 PRO 10 -6.607 -16.105 6.146 72 HG3 PRO 10 HG1 PRO 10 -8.019 -17.049 6.649 73 HD2 PRO 10 HD2 PRO 10 -7.382 -16.667 4.029 74 HD3 PRO 10 HD1 PRO 10 -9.062 -16.847 4.584 75 H ILE 11 HN ILE 11 -8.957 -11.598 6.181 76 HA ILE 11 HA ILE 11 -6.478 -10.541 5.059 77 HB ILE 11 HB ILE 11 -8.589 -9.104 6.673 78 HG12 ILE 11 HG12 ILE 11 -8.376 -9.531 3.690 79 HG13 ILE 11 HG11 ILE 11 -9.563 -10.309 4.734 80 HG21 ILE 11 HG21 ILE 11 -6.147 -8.225 5.793 81 HG22 ILE 11 HG22 ILE 11 -7.530 -7.183 6.090 82 HG23 ILE 11 HG23 ILE 11 -7.193 -7.758 4.459 83 HD11 ILE 11 HD11 ILE 11 -10.899 -8.530 4.434 84 HD12 ILE 11 HD12 ILE 11 -9.626 -7.665 3.572 85 HD13 ILE 11 HD13 ILE 11 -9.725 -7.567 5.330 86 H LYS 12 HN LYS 12 -7.907 -10.079 8.277 87 HA LYS 12 HA LYS 12 -6.932 -10.039 10.400 88 HB2 LYS 12 HB2 LYS 12 -4.365 -11.126 9.225 89 HB3 LYS 12 HB1 LYS 12 -4.981 -11.296 10.860 90 HG2 LYS 12 HG2 LYS 12 -6.123 -13.156 10.329 91 HG3 LYS 12 HG1 LYS 12 -6.853 -12.403 8.919 92 HD2 LYS 12 HD2 LYS 12 -5.453 -14.328 8.269 93 HD3 LYS 12 HD1 LYS 12 -4.801 -12.823 7.619 94 HE2 LYS 12 HE2 LYS 12 -3.763 -13.350 10.282 95 HE3 LYS 12 HE1 LYS 12 -3.426 -14.693 9.189 96 HZ1 LYS 12 HZ1 LYS 12 -2.668 -11.852 8.890 97 HZ2 LYS 12 HZ2 LYS 12 -2.674 -12.918 7.567 98 HZ3 LYS 12 HZ3 LYS 12 -1.661 -13.216 8.898 99 H VAL 13 HN VAL 13 -5.116 -8.902 7.632 100 HA VAL 13 HA VAL 13 -4.433 -6.454 9.140 101 HB VAL 13 HB VAL 13 -2.342 -7.393 7.355 102 HG11 VAL 13 HG11 VAL 13 -2.232 -5.356 8.796 103 HG12 VAL 13 HG12 VAL 13 -0.898 -6.470 9.091 104 HG13 VAL 13 HG13 VAL 13 -2.256 -6.405 10.213 105 HG21 VAL 13 HG21 VAL 13 -1.354 -8.946 9.050 106 HG22 VAL 13 HG22 VAL 13 -2.862 -9.551 8.367 107 HG23 VAL 13 HG23 VAL 13 -2.849 -8.824 9.975 108 H TYR 14 HN TYR 14 -5.148 -4.865 7.889 109 HA TYR 14 HA TYR 14 -6.019 -5.233 5.186 110 HB2 TYR 14 HB2 TYR 14 -5.708 -2.872 6.998 111 HB3 TYR 14 HB1 TYR 14 -5.996 -2.607 5.283 112 HD1 TYR 14 HD2 TYR 14 -7.298 -5.355 7.483 113 HD2 TYR 14 HD1 TYR 14 -8.215 -1.860 5.173 114 HE1 TYR 14 HE2 TYR 14 -9.714 -5.774 7.812 115 HE2 TYR 14 HE1 TYR 14 -10.633 -2.269 5.507 116 HH TYR 14 HH TYR 14 -12.046 -4.580 6.023 117 H GLY 15 HN GLY 15 -4.647 -5.508 3.515 118 HA2 GLY 15 HA2 GLY 15 -1.959 -4.331 3.564 119 HA3 GLY 15 HA1 GLY 15 -2.628 -5.339 2.273 120 H ARG 16 HN ARG 16 -2.694 -2.135 3.681 121 HA ARG 16 HA ARG 16 -4.443 -0.934 1.753 122 HB2 ARG 16 HB2 ARG 16 -3.877 0.116 3.924 123 HB3 ARG 16 HB1 ARG 16 -2.222 0.355 3.368 124 HG2 ARG 16 HG2 ARG 16 -2.795 2.207 2.225 125 HG3 ARG 16 HG1 ARG 16 -4.126 1.368 1.427 126 HD2 ARG 16 HD2 ARG 16 -5.588 1.760 3.319 127 HD3 ARG 16 HD1 ARG 16 -4.259 2.432 4.261 128 HE ARG 16 HE ARG 16 -5.820 3.860 2.289 129 HH11 ARG 16 HH21 ARG 16 -2.689 3.449 3.675 130 HH12 ARG 16 HH22 ARG 16 -2.183 5.073 3.344 131 HH21 ARG 16 HH11 ARG 16 -5.178 5.986 1.860 132 HH22 ARG 16 HH12 ARG 16 -3.591 6.508 2.315 133 H MET 17 HN MET 17 -4.058 -0.176 -0.280 134 HA MET 17 HA MET 17 -1.241 -0.280 -1.268 135 HB2 MET 17 HB2 MET 17 -3.685 -0.547 -3.018 136 HB3 MET 17 HB1 MET 17 -2.025 -1.005 -3.385 137 HG2 MET 17 HG2 MET 17 -2.239 -2.675 -1.442 138 HG3 MET 17 HG1 MET 17 -3.973 -2.368 -1.527 139 HE1 MET 17 HE1 MET 17 -0.840 -3.005 -3.498 140 HE2 MET 17 HE2 MET 17 -1.224 -4.329 -4.595 141 HE3 MET 17 HE3 MET 17 -1.159 -4.620 -2.860 142 H ILE 18 HN ILE 18 -0.452 1.557 -2.177 143 HA ILE 18 HA ILE 18 -2.355 3.796 -2.701 144 HB ILE 18 HB ILE 18 0.041 5.047 -2.394 145 HG12 ILE 18 HG12 ILE 18 0.079 2.739 -0.440 146 HG13 ILE 18 HG11 ILE 18 1.112 2.882 -1.862 147 HG21 ILE 18 HG21 ILE 18 -2.093 5.576 -1.210 148 HG22 ILE 18 HG22 ILE 18 -0.714 5.600 -0.112 149 HG23 ILE 18 HG23 ILE 18 -1.805 4.215 -0.128 150 HD11 ILE 18 HD11 ILE 18 1.233 5.340 -0.399 151 HD12 ILE 18 HD12 ILE 18 2.537 4.200 -0.731 152 HD13 ILE 18 HD13 ILE 18 1.541 4.006 0.712 153 HA PRO 19 HA PRO 19 -1.820 5.910 -3.496 154 HB2 PRO 19 HB2 PRO 19 -2.541 7.342 -5.667 155 HB3 PRO 19 HB1 PRO 19 -0.871 7.326 -5.066 156 HG2 PRO 19 HG2 PRO 19 -2.056 5.930 -7.397 157 HG3 PRO 19 HG1 PRO 19 -0.437 6.618 -7.190 158 HD2 PRO 19 HD2 PRO 19 -1.092 3.900 -6.948 159 HD3 PRO 19 HD1 PRO 19 0.398 4.661 -6.358 160 H CYS 20 HN CYS 20 -3.051 3.406 -5.297 161 HA CYS 20 HA CYS 20 -5.658 4.183 -6.032 162 HB2 CYS 20 HB2 CYS 20 -4.421 1.902 -6.327 163 HB3 CYS 20 HB1 CYS 20 -5.119 1.510 -4.756 164 H LYS 21 HN LYS 21 -4.365 3.226 -2.891 165 HA LYS 21 HA LYS 21 -5.188 3.725 -0.747 166 HB2 LYS 21 HB2 LYS 21 -6.308 5.713 -2.200 167 HB3 LYS 21 HB1 LYS 21 -7.763 4.823 -1.746 168 HG2 LYS 21 HG2 LYS 21 -6.982 4.877 0.636 169 HG3 LYS 21 HG1 LYS 21 -5.648 5.912 0.128 170 HD2 LYS 21 HD2 LYS 21 -8.038 7.013 -0.965 171 HD3 LYS 21 HD1 LYS 21 -8.346 6.667 0.737 172 HE2 LYS 21 HE2 LYS 21 -5.944 8.200 -0.298 173 HE3 LYS 21 HE1 LYS 21 -7.390 8.943 0.385 174 HZ1 LYS 21 HZ1 LYS 21 -6.014 8.798 2.201 175 HZ2 LYS 21 HZ2 LYS 21 -5.331 7.319 1.717 176 HZ3 LYS 21 HZ3 LYS 21 -6.906 7.363 2.352 177 H HIS 22 HN HIS 22 -5.748 1.340 -2.393 178 HA HIS 22 HA HIS 22 -8.407 0.516 -1.334 179 HB2 HIS 22 HB2 HIS 22 -6.704 -0.336 -3.617 180 HB3 HIS 22 HB1 HIS 22 -7.648 -1.597 -2.818 181 HD2 HIS 22 HD2 HIS 22 -10.494 -0.363 -2.352 182 HE1 HIS 22 HE1 HIS 22 -10.328 1.274 -6.240 183 HE2 HIS 22 HE2 HIS 22 -11.865 0.685 -4.309 184 H VAL 23 HN VAL 23 -8.243 -2.079 -0.780 185 HA VAL 23 HA VAL 23 -5.740 -2.572 0.710 186 HB VAL 23 HB VAL 23 -6.631 -2.646 2.823 187 HG11 VAL 23 HG11 VAL 23 -8.128 -0.740 3.152 188 HG12 VAL 23 HG12 VAL 23 -8.547 -0.743 1.444 189 HG13 VAL 23 HG13 VAL 23 -6.905 -0.345 1.951 190 HG21 VAL 23 HG21 VAL 23 -9.189 -2.880 3.143 191 HG22 VAL 23 HG22 VAL 23 -8.307 -4.304 2.598 192 HG23 VAL 23 HG23 VAL 23 -9.229 -3.340 1.442 193 H PHE 24 HN PHE 24 -5.460 -4.762 1.374 194 HA PHE 24 HA PHE 24 -7.421 -6.797 0.613 195 HB2 PHE 24 HB2 PHE 24 -4.748 -6.768 -0.818 196 HB3 PHE 24 HB1 PHE 24 -6.062 -7.920 -1.049 197 HD1 PHE 24 HD2 PHE 24 -8.100 -7.291 -2.246 198 HD2 PHE 24 HD1 PHE 24 -4.888 -4.509 -1.684 199 HE1 PHE 24 HE2 PHE 24 -9.088 -5.809 -3.966 200 HE2 PHE 24 HE1 PHE 24 -5.866 -3.021 -3.404 201 HZ PHE 24 HZ PHE 24 -7.967 -3.672 -4.559 202 H CYS 25 HN CYS 25 -6.450 -9.038 1.153 203 HA CYS 25 HA CYS 25 -5.340 -9.003 3.737 204 HB2 CYS 25 HB2 CYS 25 -4.645 -11.366 3.308 205 HB3 CYS 25 HB1 CYS 25 -6.311 -11.052 2.830 206 H TYR 26 HN TYR 26 -3.510 -8.003 4.264 207 HA TYR 26 HA TYR 26 -1.437 -7.232 2.565 208 HB2 TYR 26 HB2 TYR 26 -1.743 -6.465 4.921 209 HB3 TYR 26 HB1 TYR 26 -1.129 -8.021 5.468 210 HD1 TYR 26 HD1 TYR 26 -0.078 -5.442 2.894 211 HD2 TYR 26 HD2 TYR 26 1.070 -7.959 6.187 212 HE1 TYR 26 HE1 TYR 26 2.239 -4.605 2.730 213 HE2 TYR 26 HE2 TYR 26 3.392 -7.118 6.013 214 HH TYR 26 HH TYR 26 4.229 -4.464 3.870 215 H ASP 27 HN ASP 27 -2.197 -10.424 3.409 216 HA ASP 27 HA ASP 27 0.540 -11.423 3.220 217 HB2 ASP 27 HB2 ASP 27 -2.174 -12.640 3.504 218 HB3 ASP 27 HB1 ASP 27 -0.895 -13.651 2.828 219 H CYS 28 HN CYS 28 -2.283 -11.330 1.056 220 HA CYS 28 HA CYS 28 -0.703 -12.482 -1.118 221 HB2 CYS 28 HB2 CYS 28 -2.651 -12.423 -2.413 222 HB3 CYS 28 HB1 CYS 28 -3.306 -12.600 -0.787 223 H ALA 29 HN ALA 29 -1.478 -9.343 0.142 224 HA ALA 29 HA ALA 29 -0.891 -7.818 -2.200 225 HB1 ALA 29 HB1 ALA 29 -1.858 -7.209 0.257 226 HB2 ALA 29 HB2 ALA 29 -1.164 -5.992 -0.811 227 HB3 ALA 29 HB3 ALA 29 -0.184 -6.704 0.472 228 H ILE 30 HN ILE 30 1.131 -9.142 0.405 229 HA ILE 30 HA ILE 30 3.516 -7.869 -0.706 230 HB ILE 30 HB ILE 30 4.707 -9.001 1.075 231 HG12 ILE 30 HG12 ILE 30 2.094 -10.390 1.734 232 HG13 ILE 30 HG11 ILE 30 3.454 -11.188 0.952 233 HG21 ILE 30 HG21 ILE 30 2.354 -7.360 1.430 234 HG22 ILE 30 HG22 ILE 30 3.905 -7.282 2.255 235 HG23 ILE 30 HG23 ILE 30 2.648 -8.359 2.849 236 HD11 ILE 30 HD11 ILE 30 3.532 -9.865 3.674 237 HD12 ILE 30 HD12 ILE 30 4.886 -10.671 2.881 238 HD13 ILE 30 HD13 ILE 30 3.473 -11.602 3.378 239 H LEU 31 HN LEU 31 1.974 -11.037 -0.785 240 HA LEU 31 HA LEU 31 4.250 -12.268 -2.136 241 HB2 LEU 31 HB2 LEU 31 1.422 -13.109 -1.588 242 HB3 LEU 31 HB1 LEU 31 2.393 -14.013 -2.743 243 HG LEU 31 HG LEU 31 3.579 -13.353 -0.074 244 HD11 LEU 31 HD11 LEU 31 1.345 -15.276 -0.618 245 HD12 LEU 31 HD12 LEU 31 1.650 -14.292 0.814 246 HD13 LEU 31 HD13 LEU 31 2.605 -15.745 0.523 247 HD21 LEU 31 HD21 LEU 31 3.779 -15.978 -1.499 248 HD22 LEU 31 HD22 LEU 31 5.002 -15.115 -0.568 249 HD23 LEU 31 HD23 LEU 31 4.605 -14.588 -2.204 250 H HIS 32 HN HIS 32 1.600 -10.253 -3.051 251 HA HIS 32 HA HIS 32 1.569 -11.073 -5.845 252 HB2 HIS 32 HB2 HIS 32 0.301 -8.901 -4.232 253 HB3 HIS 32 HB1 HIS 32 0.416 -8.678 -5.975 254 HD1 HIS 32 HD1 HIS 32 -1.874 -9.242 -6.830 255 HD2 HIS 32 HD2 HIS 32 -0.505 -12.066 -4.082 256 HE1 HIS 32 HE1 HIS 32 -3.592 -11.105 -6.799 257 HE2 HIS 32 HE2 HIS 32 -2.768 -12.827 -5.129 258 H GLU 33 HN GLU 33 2.746 -8.155 -4.132 259 HA GLU 33 HA GLU 33 4.103 -7.132 -6.467 260 HB2 GLU 33 HB2 GLU 33 5.145 -5.546 -4.971 261 HB3 GLU 33 HB1 GLU 33 3.475 -5.764 -4.453 262 HG2 GLU 33 HG2 GLU 33 4.362 -7.556 -2.853 263 HG3 GLU 33 HG1 GLU 33 5.971 -6.934 -3.215 264 H LYS 34 HN LYS 34 5.041 -9.364 -3.900 265 HA LYS 34 HA LYS 34 7.866 -9.293 -4.578 266 HB2 LYS 34 HB2 LYS 34 6.166 -11.211 -2.970 267 HB3 LYS 34 HB1 LYS 34 7.895 -11.454 -3.218 268 HG2 LYS 34 HG2 LYS 34 8.425 -9.373 -2.131 269 HG3 LYS 34 HG1 LYS 34 6.726 -8.902 -2.084 270 HD2 LYS 34 HD2 LYS 34 6.368 -10.067 -0.187 271 HD3 LYS 34 HD1 LYS 34 7.151 -11.503 -0.845 272 HE2 LYS 34 HE2 LYS 34 8.354 -10.649 1.145 273 HE3 LYS 34 HE1 LYS 34 9.359 -10.566 -0.303 274 HZ1 LYS 34 HZ1 LYS 34 8.634 -8.483 1.395 275 HZ2 LYS 34 HZ2 LYS 34 7.851 -8.204 -0.087 276 HZ3 LYS 34 HZ3 LYS 34 9.539 -8.391 -0.037 277 H LYS 35 HN LYS 35 5.055 -11.105 -5.652 278 HA LYS 35 HA LYS 35 6.677 -13.044 -7.100 279 HB2 LYS 35 HB2 LYS 35 3.727 -12.506 -6.909 280 HB3 LYS 35 HB1 LYS 35 4.366 -13.615 -8.121 281 HG2 LYS 35 HG2 LYS 35 5.346 -15.024 -6.436 282 HG3 LYS 35 HG1 LYS 35 4.994 -13.849 -5.168 283 HD2 LYS 35 HD2 LYS 35 2.819 -14.497 -4.999 284 HD3 LYS 35 HD1 LYS 35 2.645 -14.700 -6.743 285 HE2 LYS 35 HE2 LYS 35 3.672 -16.860 -6.688 286 HE3 LYS 35 HE1 LYS 35 4.220 -16.631 -5.027 287 HZ1 LYS 35 HZ1 LYS 35 2.298 -17.397 -4.279 288 HZ2 LYS 35 HZ2 LYS 35 1.839 -17.759 -5.875 289 HZ3 LYS 35 HZ3 LYS 35 1.424 -16.261 -5.187 290 H GLY 36 HN GLY 36 4.036 -11.145 -8.429 291 HA2 GLY 36 HA2 GLY 36 5.640 -9.586 -10.240 292 HA3 GLY 36 HA1 GLY 36 5.001 -11.012 -11.064 293 H ASP 37 HN ASP 37 3.356 -9.405 -8.439 294 HA ASP 37 HA ASP 37 1.306 -8.381 -10.349 295 HB2 ASP 37 HB2 ASP 37 0.993 -9.984 -7.830 296 HB3 ASP 37 HB1 ASP 37 -0.275 -8.852 -8.300 297 H LYS 38 HN LYS 38 3.253 -6.708 -9.672 298 HA LYS 38 HA LYS 38 2.798 -5.241 -7.218 299 HB2 LYS 38 HB2 LYS 38 4.186 -3.468 -8.614 300 HB3 LYS 38 HB1 LYS 38 4.966 -4.930 -8.014 301 HG2 LYS 38 HG2 LYS 38 4.938 -5.967 -10.113 302 HG3 LYS 38 HG1 LYS 38 3.645 -4.930 -10.715 303 HD2 LYS 38 HD2 LYS 38 6.192 -3.606 -9.904 304 HD3 LYS 38 HD1 LYS 38 6.202 -4.532 -11.404 305 HE2 LYS 38 HE2 LYS 38 4.625 -3.155 -12.426 306 HE3 LYS 38 HE1 LYS 38 3.957 -2.610 -10.887 307 HZ1 LYS 38 HZ1 LYS 38 6.444 -1.717 -10.675 308 HZ2 LYS 38 HZ2 LYS 38 5.185 -0.798 -11.350 309 HZ3 LYS 38 HZ3 LYS 38 6.265 -1.634 -12.359 310 H MET 39 HN MET 39 0.469 -5.680 -8.923 311 HA MET 39 HA MET 39 -0.313 -2.839 -9.364 312 HB2 MET 39 HB2 MET 39 -0.190 -4.951 -11.277 313 HB3 MET 39 HB1 MET 39 -1.885 -4.544 -11.014 314 HG2 MET 39 HG2 MET 39 -1.340 -2.146 -11.355 315 HG3 MET 39 HG1 MET 39 0.333 -2.595 -11.690 316 HE1 MET 39 HE1 MET 39 -0.589 -1.605 -15.126 317 HE2 MET 39 HE2 MET 39 -0.159 -1.064 -13.505 318 HE3 MET 39 HE3 MET 39 -1.844 -1.032 -14.017 319 H CYS 40 HN CYS 40 -2.303 -2.262 -8.497 320 HA CYS 40 HA CYS 40 -3.444 -3.527 -6.342 321 HB2 CYS 40 HB2 CYS 40 -4.174 -1.398 -8.061 322 HB3 CYS 40 HB1 CYS 40 -5.596 -2.426 -7.895 323 HA PRO 41 HA PRO 41 -4.714 -7.390 -8.485 324 HB2 PRO 41 HB2 PRO 41 -5.989 -7.830 -5.825 325 HB3 PRO 41 HB1 PRO 41 -4.967 -8.920 -6.781 326 HG2 PRO 41 HG2 PRO 41 -4.048 -7.649 -4.617 327 HG3 PRO 41 HG1 PRO 41 -3.026 -7.985 -6.022 328 HD2 PRO 41 HD2 PRO 41 -4.179 -5.397 -5.119 329 HD3 PRO 41 HD1 PRO 41 -2.701 -5.713 -6.049 330 H GLY 42 HN GLY 42 -6.678 -5.024 -6.823 331 HA2 GLY 42 HA2 GLY 42 -9.164 -6.163 -7.999 332 HA3 GLY 42 HA1 GLY 42 -9.099 -4.921 -6.754 333 H CYS 43 HN CYS 43 -7.264 -3.129 -7.981 334 HA CYS 43 HA CYS 43 -9.011 -2.092 -10.149 335 HB2 CYS 43 HB2 CYS 43 -6.780 -0.579 -8.810 336 HB3 CYS 43 HB1 CYS 43 -8.211 0.061 -9.619 337 H SER 44 HN SER 44 -5.716 -3.115 -9.522 338 HA SER 44 HA SER 44 -4.032 -3.678 -11.055 339 HB2 SER 44 HB2 SER 44 -6.233 -4.142 -12.517 340 HB3 SER 44 HB1 SER 44 -5.620 -2.758 -13.413 341 HG SER 44 HG SER 44 -4.078 -3.972 -14.156 342 H ASP 45 HN ASP 45 -3.654 -1.411 -9.793 343 HA ASP 45 HA ASP 45 -2.902 0.584 -11.883 344 HB2 ASP 45 HB2 ASP 45 -4.430 0.880 -9.413 345 HB3 ASP 45 HB1 ASP 45 -3.038 1.962 -9.468 346 HA PRO 46 HA PRO 46 1.300 0.333 -10.627 347 HB2 PRO 46 HB2 PRO 46 1.853 3.029 -10.018 348 HB3 PRO 46 HB1 PRO 46 2.008 2.259 -11.604 349 HG2 PRO 46 HG2 PRO 46 -0.161 3.962 -10.536 350 HG3 PRO 46 HG1 PRO 46 0.433 3.789 -12.196 351 HD2 PRO 46 HD2 PRO 46 -1.910 2.689 -11.387 352 HD3 PRO 46 HD1 PRO 46 -0.885 1.922 -12.619 353 H VAL 47 HN VAL 47 0.888 -0.825 -8.636 354 HA VAL 47 HA VAL 47 0.141 0.341 -6.160 355 HB VAL 47 HB VAL 47 1.953 -2.020 -6.725 356 HG11 VAL 47 HG11 VAL 47 2.281 -1.270 -4.434 357 HG12 VAL 47 HG12 VAL 47 1.280 -2.719 -4.421 358 HG13 VAL 47 HG13 VAL 47 0.538 -1.135 -4.196 359 HG21 VAL 47 HG21 VAL 47 0.045 -3.254 -6.987 360 HG22 VAL 47 HG22 VAL 47 -0.679 -1.693 -7.379 361 HG23 VAL 47 HG23 VAL 47 -0.822 -2.346 -5.750 362 H GLN 48 HN GLN 48 1.213 2.243 -5.590 363 HA GLN 48 HA GLN 48 3.998 2.733 -5.994 364 HB2 GLN 48 HB2 GLN 48 2.593 4.626 -5.571 365 HB3 GLN 48 HB1 GLN 48 1.981 3.921 -4.076 366 HG2 GLN 48 HG2 GLN 48 3.838 4.513 -2.879 367 HG3 GLN 48 HG1 GLN 48 4.926 4.268 -4.246 368 HE21 GLN 48 HE21 GLN 48 4.575 5.988 -6.094 369 HE22 GLN 48 HE22 GLN 48 4.316 7.586 -5.581 370 H ARG 49 HN ARG 49 2.342 2.165 -2.884 371 HA ARG 49 HA ARG 49 4.410 0.207 -2.184 372 HB2 ARG 49 HB2 ARG 49 5.705 1.589 -0.979 373 HB3 ARG 49 HB1 ARG 49 4.642 2.937 -1.357 374 HG2 ARG 49 HG2 ARG 49 3.212 2.370 0.573 375 HG3 ARG 49 HG1 ARG 49 4.254 0.990 0.943 376 HD2 ARG 49 HD2 ARG 49 5.125 3.892 0.894 377 HD3 ARG 49 HD1 ARG 49 4.825 2.935 2.344 378 HE ARG 49 HE ARG 49 6.772 1.673 0.601 379 HH11 ARG 49 HH21 ARG 49 6.212 4.112 2.970 380 HH12 ARG 49 HH22 ARG 49 7.845 4.114 3.548 381 HH21 ARG 49 HH11 ARG 49 8.908 1.661 1.340 382 HH22 ARG 49 HH12 ARG 49 9.371 2.726 2.624 383 H ILE 50 HN ILE 50 3.579 -1.339 -0.824 384 HA ILE 50 HA ILE 50 0.765 -1.014 -0.055 385 HB ILE 50 HB ILE 50 2.424 -3.412 0.635 386 HG12 ILE 50 HG12 ILE 50 1.290 -2.713 -2.083 387 HG13 ILE 50 HG11 ILE 50 2.986 -2.951 -1.681 388 HG21 ILE 50 HG21 ILE 50 0.410 -4.474 0.818 389 HG22 ILE 50 HG22 ILE 50 -0.312 -3.560 -0.502 390 HG23 ILE 50 HG23 ILE 50 -0.165 -2.834 1.096 391 HD11 ILE 50 HD11 ILE 50 2.216 -4.995 -2.683 392 HD12 ILE 50 HD12 ILE 50 0.794 -5.034 -1.652 393 HD13 ILE 50 HD13 ILE 50 2.391 -5.303 -0.959 394 H GLU 51 HN GLU 51 0.060 -1.060 2.058 395 HA GLU 51 HA GLU 51 2.132 -1.052 4.191 396 HB2 GLU 51 HB2 GLU 51 -0.064 1.015 3.984 397 HB3 GLU 51 HB1 GLU 51 1.231 0.955 5.184 398 HG2 GLU 51 HG2 GLU 51 2.893 1.125 3.329 399 HG3 GLU 51 HG1 GLU 51 1.556 1.336 2.199 400 H GLN 52 HN GLN 52 1.425 -1.770 6.185 401 HA GLN 52 HA GLN 52 -1.052 -3.365 6.108 402 HB2 GLN 52 HB2 GLN 52 -0.194 -4.527 7.978 403 HB3 GLN 52 HB1 GLN 52 1.240 -4.157 7.020 404 HG2 GLN 52 HG2 GLN 52 1.363 -1.986 8.443 405 HG3 GLN 52 HG1 GLN 52 0.275 -2.829 9.546 406 HE21 GLN 52 HE21 GLN 52 1.070 -5.035 10.331 407 HE22 GLN 52 HE22 GLN 52 2.742 -5.263 10.510 408 H CYS 53 HN CYS 53 -2.825 -2.986 7.444 409 HA CYS 53 HA CYS 53 -2.675 -0.791 9.417 410 HB2 CYS 53 HB2 CYS 53 -3.909 -0.561 6.790 411 HB3 CYS 53 HB1 CYS 53 -5.067 -0.260 8.086 412 H THR 54 HN THR 54 -4.586 -0.736 10.825 413 HA THR 54 HA THR 54 -5.574 -3.418 11.392 414 HB THR 54 HB THR 54 -7.077 -1.546 12.876 415 HG1 THR 54 HG1 THR 54 -5.147 -0.250 11.872 416 HG21 THR 54 HG21 THR 54 -6.108 -3.679 13.673 417 HG22 THR 54 HG22 THR 54 -5.673 -2.337 14.731 418 HG23 THR 54 HG23 THR 54 -4.496 -2.971 13.581 419 H ARG 55 HN ARG 55 -7.962 -3.855 11.578 420 HA ARG 55 HA ARG 55 -9.287 -3.206 9.120 421 HB2 ARG 55 HB2 ARG 55 -10.947 -4.099 11.414 422 HB3 ARG 55 HB1 ARG 55 -10.871 -4.726 9.767 423 HG2 ARG 55 HG2 ARG 55 -8.484 -5.535 10.441 424 HG3 ARG 55 HG1 ARG 55 -9.056 -5.320 12.095 425 HD2 ARG 55 HD2 ARG 55 -11.158 -6.674 11.016 426 HD3 ARG 55 HD1 ARG 55 -9.823 -7.350 10.084 427 HE ARG 55 HE ARG 55 -8.887 -7.495 12.661 428 HH11 ARG 55 HH21 ARG 55 -11.815 -8.381 11.074 429 HH12 ARG 55 HH22 ARG 55 -12.141 -9.715 12.129 430 HH21 ARG 55 HH11 ARG 55 -9.293 -9.234 14.048 431 HH22 ARG 55 HH12 ARG 55 -10.712 -10.198 13.814 432 H GLY 56 HN GLY 56 -10.240 -2.304 12.458 433 HA2 GLY 56 HA2 GLY 56 -12.096 -0.302 11.492 434 HA3 GLY 56 HA1 GLY 56 -11.566 -0.488 13.164 435 H SER 57 HN SER 57 -9.195 -0.134 10.615 436 HA SER 57 HA SER 57 -8.327 2.391 11.871 437 HB2 SER 57 HB2 SER 57 -6.746 0.480 11.233 438 HB3 SER 57 HB1 SER 57 -7.006 0.961 9.559 439 HG SER 57 HG SER 57 -5.608 2.478 9.904 440 H LEU 58 HN LEU 58 -9.938 1.273 9.005 441 HA LEU 58 HA LEU 58 -9.731 4.005 7.807 442 HB2 LEU 58 HB2 LEU 58 -10.773 1.641 6.291 443 HB3 LEU 58 HB1 LEU 58 -9.944 3.075 5.695 444 HG LEU 58 HG LEU 58 -8.668 0.835 7.291 445 HD11 LEU 58 HD11 LEU 58 -9.234 0.236 4.961 446 HD12 LEU 58 HD12 LEU 58 -7.488 0.362 5.185 447 HD13 LEU 58 HD13 LEU 58 -8.372 1.664 4.390 448 HD21 LEU 58 HD21 LEU 58 -6.643 2.300 6.189 449 HD22 LEU 58 HD22 LEU 58 -7.234 2.532 7.833 450 HD23 LEU 58 HD23 LEU 58 -7.816 3.570 6.532 451 H PHE 59 HN PHE 59 -11.800 4.512 6.453 452 HA PHE 59 HA PHE 59 -14.190 3.786 8.100 453 HB2 PHE 59 HB2 PHE 59 -13.665 6.347 6.570 454 HB3 PHE 59 HB1 PHE 59 -15.099 5.992 7.534 455 HD1 PHE 59 HD2 PHE 59 -14.851 5.582 10.017 456 HD2 PHE 59 HD1 PHE 59 -11.659 7.126 7.591 457 HE1 PHE 59 HE2 PHE 59 -13.688 6.383 12.057 458 HE2 PHE 59 HE1 PHE 59 -10.497 7.927 9.631 459 HZ PHE 59 HZ PHE 59 -11.512 7.556 11.863 460 H MET 60 HN MET 60 -15.604 2.544 6.985 461 HA MET 60 HA MET 60 -15.363 2.197 4.107 462 HB2 MET 60 HB2 MET 60 -17.136 1.096 6.262 463 HB3 MET 60 HB1 MET 60 -17.611 0.895 4.574 464 HG2 MET 60 HG2 MET 60 -14.812 0.216 5.449 465 HG3 MET 60 HG1 MET 60 -16.121 -0.942 5.681 466 HE1 MET 60 HE1 MET 60 -13.988 -1.795 4.559 467 HE2 MET 60 HE2 MET 60 -13.578 -1.641 2.852 468 HE3 MET 60 HE3 MET 60 -14.794 -2.811 3.358 469 H CYS 61 HN CYS 61 -16.778 2.907 2.503 470 HA CYS 61 HA CYS 61 -18.350 5.309 3.155 471 HB2 CYS 61 HB2 CYS 61 -16.857 4.969 1.066 472 HB3 CYS 61 HB1 CYS 61 -18.177 3.979 0.447 473 H SER 62 HN SER 62 -20.618 5.436 3.006 474 HA SER 62 HA SER 62 -22.104 3.007 2.176 475 HB2 SER 62 HB2 SER 62 -22.282 4.266 4.923 476 HB3 SER 62 HB1 SER 62 -23.482 3.145 4.287 477 HG SER 62 HG SER 62 -22.007 1.548 4.298 478 H ILE 63 HN ILE 63 -22.513 4.696 0.449 479 HA ILE 63 HA ILE 63 -24.560 6.711 1.284 480 HB ILE 63 HB ILE 63 -23.139 6.502 -1.382 481 HG12 ILE 63 HG12 ILE 63 -21.421 6.818 0.285 482 HG13 ILE 63 HG11 ILE 63 -21.713 8.377 -0.481 483 HG21 ILE 63 HG21 ILE 63 -25.201 7.820 -1.396 484 HG22 ILE 63 HG22 ILE 63 -23.807 8.890 -1.541 485 HG23 ILE 63 HG23 ILE 63 -24.645 8.739 0.002 486 HD11 ILE 63 HD11 ILE 63 -23.400 8.767 1.464 487 HD12 ILE 63 HD12 ILE 63 -21.680 8.902 1.819 488 HD13 ILE 63 HD13 ILE 63 -22.557 7.438 2.257 489 H VAL 64 HN VAL 64 -24.045 4.993 -1.797 490 HA VAL 64 HA VAL 64 -26.960 4.462 -1.895 491 HB VAL 64 HB VAL 64 -26.200 3.550 -4.246 492 HG11 VAL 64 HG11 VAL 64 -26.338 6.412 -3.311 493 HG12 VAL 64 HG12 VAL 64 -27.539 5.484 -4.212 494 HG13 VAL 64 HG13 VAL 64 -26.068 6.035 -5.013 495 HG21 VAL 64 HG21 VAL 64 -23.936 5.473 -3.705 496 HG22 VAL 64 HG22 VAL 64 -24.119 4.340 -5.046 497 HG23 VAL 64 HG23 VAL 64 -23.744 3.741 -3.429 498 H GLN 65 HN GLN 65 -24.851 2.313 -3.590 499 HA GLN 65 HA GLN 65 -24.687 0.263 -1.553 500 HB2 GLN 65 HB2 GLN 65 -27.112 0.141 -2.032 501 HB3 GLN 65 HB1 GLN 65 -26.756 -0.103 -3.743 502 HG2 GLN 65 HG2 GLN 65 -26.312 -2.294 -3.430 503 HG3 GLN 65 HG1 GLN 65 -25.270 -1.955 -2.048 504 HE21 GLN 65 HE21 GLN 65 -26.413 -1.587 0.088 505 HE22 GLN 65 HE22 GLN 65 -27.903 -2.354 0.358 506 H GLY 66 HN GLY 66 -22.960 1.539 -3.515 507 HA2 GLY 66 HA2 GLY 66 -21.992 -0.921 -4.857 508 HA3 GLY 66 HA1 GLY 66 -22.303 0.486 -5.875 509 H CYS 67 HN CYS 67 -21.445 2.437 -3.884 510 HA CYS 67 HA CYS 67 -18.650 2.528 -4.509 511 HB2 CYS 67 HB2 CYS 67 -19.920 4.565 -4.003 512 HB3 CYS 67 HB1 CYS 67 -20.206 3.996 -2.358 513 H LYS 68 HN LYS 68 -16.963 2.726 -2.679 514 HA LYS 68 HA LYS 68 -17.300 1.428 -0.175 515 HB2 LYS 68 HB2 LYS 68 -15.937 -0.692 -0.877 516 HB3 LYS 68 HB1 LYS 68 -17.674 -0.664 -1.177 517 HG2 LYS 68 HG2 LYS 68 -17.416 -0.357 -3.465 518 HG3 LYS 68 HG1 LYS 68 -15.831 0.398 -3.289 519 HD2 LYS 68 HD2 LYS 68 -14.756 -1.679 -2.916 520 HD3 LYS 68 HD1 LYS 68 -16.280 -2.501 -2.579 521 HE2 LYS 68 HE2 LYS 68 -16.950 -2.399 -4.873 522 HE3 LYS 68 HE1 LYS 68 -15.655 -1.270 -5.270 523 HZ1 LYS 68 HZ1 LYS 68 -15.592 -4.115 -5.144 524 HZ2 LYS 68 HZ2 LYS 68 -14.395 -3.429 -4.152 525 HZ3 LYS 68 HZ3 LYS 68 -14.457 -3.042 -5.806 526 H ARG 69 HN ARG 69 -15.850 3.619 -1.583 527 HA ARG 69 HA ARG 69 -13.022 2.876 -1.472 528 HB2 ARG 69 HB2 ARG 69 -14.596 5.168 -2.345 529 HB3 ARG 69 HB1 ARG 69 -13.177 5.664 -1.423 530 HG2 ARG 69 HG2 ARG 69 -11.734 4.304 -2.869 531 HG3 ARG 69 HG1 ARG 69 -13.142 3.748 -3.773 532 HD2 ARG 69 HD2 ARG 69 -13.078 5.584 -5.069 533 HD3 ARG 69 HD1 ARG 69 -13.174 6.622 -3.647 534 HE ARG 69 HE ARG 69 -10.857 6.990 -3.849 535 HH11 ARG 69 HH21 ARG 69 -11.861 4.138 -5.506 536 HH12 ARG 69 HH22 ARG 69 -10.305 3.835 -6.205 537 HH21 ARG 69 HH11 ARG 69 -8.820 6.612 -4.752 538 HH22 ARG 69 HH12 ARG 69 -8.583 5.237 -5.779 539 H THR 70 HN THR 70 -11.979 2.644 0.440 540 HA THR 70 HA THR 70 -13.096 3.792 2.891 541 HB THR 70 HB THR 70 -10.575 2.787 3.502 542 HG1 THR 70 HG1 THR 70 -11.798 0.965 1.743 543 HG21 THR 70 HG21 THR 70 -12.619 2.377 4.772 544 HG22 THR 70 HG22 THR 70 -11.850 0.843 4.366 545 HG23 THR 70 HG23 THR 70 -13.260 1.389 3.460 546 H TYR 71 HN TYR 71 -11.373 4.827 4.430 547 HA TYR 71 HA TYR 71 -9.319 6.424 3.119 548 HB2 TYR 71 HB2 TYR 71 -11.777 7.748 4.289 549 HB3 TYR 71 HB1 TYR 71 -10.300 8.601 3.841 550 HD1 TYR 71 HD1 TYR 71 -9.524 8.588 1.454 551 HD2 TYR 71 HD2 TYR 71 -13.354 7.037 2.631 552 HE1 TYR 71 HE1 TYR 71 -10.285 8.679 -0.903 553 HE2 TYR 71 HE2 TYR 71 -14.114 7.127 0.273 554 HH TYR 71 HH TYR 71 -12.001 8.421 -2.289 555 H LEU 72 HN LEU 72 -8.583 8.134 4.994 556 HA LEU 72 HA LEU 72 -8.371 6.493 7.476 557 HB2 LEU 72 HB2 LEU 72 -6.347 8.524 7.319 558 HB3 LEU 72 HB1 LEU 72 -6.150 6.773 7.361 559 HG LEU 72 HG LEU 72 -6.762 8.377 4.857 560 HD11 LEU 72 HD11 LEU 72 -4.350 7.525 4.335 561 HD12 LEU 72 HD12 LEU 72 -4.207 7.369 6.087 562 HD13 LEU 72 HD13 LEU 72 -4.545 8.943 5.365 563 HD21 LEU 72 HD21 LEU 72 -7.107 6.380 3.856 564 HD22 LEU 72 HD22 LEU 72 -7.074 5.629 5.451 565 HD23 LEU 72 HD23 LEU 72 -5.595 5.749 4.502 566 H SER 73 HN SER 73 -9.844 9.259 6.319 567 HA SER 73 HA SER 73 -10.242 10.209 9.078 568 HB2 SER 73 HB2 SER 73 -9.330 12.249 7.065 569 HB3 SER 73 HB1 SER 73 -9.349 12.362 8.823 570 HG SER 73 HG SER 73 -7.827 10.381 8.459 571 H GLN 74 HN GLN 74 -12.309 10.900 9.296 572 HA GLN 74 HA GLN 74 -14.312 10.628 7.415 573 HB2 GLN 74 HB2 GLN 74 -14.323 11.458 9.960 574 HB3 GLN 74 HB1 GLN 74 -14.519 13.027 9.177 575 HG2 GLN 74 HG2 GLN 74 -16.738 12.340 9.387 576 HG3 GLN 74 HG1 GLN 74 -16.348 11.774 7.762 577 HE21 GLN 74 HE21 GLN 74 -15.735 9.423 7.559 578 HE22 GLN 74 HE22 GLN 74 -16.335 8.313 8.692 579 H ARG 75 HN ARG 75 -12.028 13.266 7.721 580 HA ARG 75 HA ARG 75 -13.325 15.154 6.018 581 HB2 ARG 75 HB2 ARG 75 -11.346 15.590 7.525 582 HB3 ARG 75 HB1 ARG 75 -10.343 14.743 6.347 583 HG2 ARG 75 HG2 ARG 75 -11.715 16.504 4.746 584 HG3 ARG 75 HG1 ARG 75 -11.502 17.443 6.222 585 HD2 ARG 75 HD2 ARG 75 -9.047 16.711 6.154 586 HD3 ARG 75 HD1 ARG 75 -9.367 16.167 4.508 587 HE ARG 75 HE ARG 75 -9.403 18.428 3.832 588 HH11 ARG 75 HH21 ARG 75 -9.746 18.080 7.243 589 HH12 ARG 75 HH22 ARG 75 -9.636 19.780 7.563 590 HH21 ARG 75 HH11 ARG 75 -9.258 20.650 4.227 591 HH22 ARG 75 HH12 ARG 75 -9.359 21.233 5.855 592 H ASP 76 HN ASP 76 -11.219 12.405 5.326 593 HA ASP 76 HA ASP 76 -11.014 13.079 2.487 594 HB2 ASP 76 HB2 ASP 76 -10.028 10.891 4.264 595 HB3 ASP 76 HB1 ASP 76 -10.163 10.548 2.540 596 H LEU 77 HN LEU 77 -12.838 10.882 4.528 597 HA LEU 77 HA LEU 77 -14.185 9.556 2.337 598 HB2 LEU 77 HB2 LEU 77 -13.996 8.383 4.436 599 HB3 LEU 77 HB1 LEU 77 -14.690 9.738 5.315 600 HG LEU 77 HG LEU 77 -16.405 8.733 3.146 601 HD11 LEU 77 HD11 LEU 77 -17.101 6.743 4.533 602 HD12 LEU 77 HD12 LEU 77 -15.647 6.991 5.498 603 HD13 LEU 77 HD13 LEU 77 -15.510 6.591 3.787 604 HD21 LEU 77 HD21 LEU 77 -18.107 9.130 4.770 605 HD22 LEU 77 HD22 LEU 77 -16.919 10.403 5.043 606 HD23 LEU 77 HD23 LEU 77 -16.966 8.998 6.107 607 H GLN 78 HN GLN 78 -14.678 12.375 4.360 608 HA GLN 78 HA GLN 78 -17.412 12.776 3.512 609 HB2 GLN 78 HB2 GLN 78 -16.488 13.854 5.575 610 HB3 GLN 78 HB1 GLN 78 -15.448 14.842 4.548 611 HG2 GLN 78 HG2 GLN 78 -17.425 16.133 5.109 612 HG3 GLN 78 HG1 GLN 78 -17.513 15.704 3.402 613 HE21 GLN 78 HE21 GLN 78 -19.074 14.012 2.770 614 HE22 GLN 78 HE22 GLN 78 -20.334 13.561 3.814 615 H ALA 79 HN ALA 79 -14.227 13.617 2.438 616 HA ALA 79 HA ALA 79 -15.114 15.402 0.322 617 HB1 ALA 79 HB1 ALA 79 -12.652 14.350 -0.458 618 HB2 ALA 79 HB2 ALA 79 -12.585 14.314 1.303 619 HB3 ALA 79 HB3 ALA 79 -12.892 15.832 0.466 620 H HIS 80 HN HIS 80 -14.982 11.969 0.814 621 HA HIS 80 HA HIS 80 -14.824 11.291 -2.012 622 HB2 HIS 80 HB2 HIS 80 -14.226 9.604 -0.377 623 HB3 HIS 80 HB1 HIS 80 -15.826 9.692 0.353 624 HD1 HIS 80 HD1 HIS 80 -14.109 8.595 -2.838 625 HD2 HIS 80 HD2 HIS 80 -17.809 8.229 -0.961 626 HE1 HIS 80 HE1 HIS 80 -15.437 6.916 -4.193 627 H ILE 81 HN ILE 81 -17.452 11.536 0.335 628 HA ILE 81 HA ILE 81 -19.619 10.908 -1.363 629 HB ILE 81 HB ILE 81 -19.895 13.134 0.604 630 HG12 ILE 81 HG12 ILE 81 -18.398 11.733 1.777 631 HG13 ILE 81 HG11 ILE 81 -19.993 11.402 2.433 632 HG21 ILE 81 HG21 ILE 81 -21.894 12.324 -0.509 633 HG22 ILE 81 HG22 ILE 81 -21.950 11.851 1.188 634 HG23 ILE 81 HG23 ILE 81 -21.524 10.665 -0.043 635 HD11 ILE 81 HD11 ILE 81 -19.915 9.551 0.459 636 HD12 ILE 81 HD12 ILE 81 -19.351 9.228 2.095 637 HD13 ILE 81 HD13 ILE 81 -18.197 9.657 0.836 638 H ASN 82 HN ASN 82 -18.233 14.086 -0.619 639 HA ASN 82 HA ASN 82 -19.933 15.452 -2.504 640 HB2 ASN 82 HB2 ASN 82 -17.264 16.515 -1.611 641 HB3 ASN 82 HB1 ASN 82 -18.765 17.394 -1.907 642 HD21 ASN 82 HD21 ASN 82 -16.911 16.909 0.612 643 HD22 ASN 82 HD22 ASN 82 -18.037 16.552 1.830 644 H HIS 83 HN HIS 83 -17.018 13.610 -2.831 645 HA HIS 83 HA HIS 83 -16.303 14.987 -5.316 646 HB2 HIS 83 HB2 HIS 83 -15.088 12.706 -3.801 647 HB3 HIS 83 HB1 HIS 83 -14.553 13.104 -5.428 648 HD1 HIS 83 HD1 HIS 83 -12.226 13.836 -4.358 649 HD2 HIS 83 HD2 HIS 83 -15.500 16.166 -3.238 650 HE1 HIS 83 HE1 HIS 83 -11.283 15.953 -3.332 651 HE2 HIS 83 HE2 HIS 83 -13.266 17.378 -2.647 652 H ARG 84 HN ARG 84 -18.049 12.041 -4.438 653 HA ARG 84 HA ARG 84 -18.328 11.508 -7.367 654 HB2 ARG 84 HB2 ARG 84 -18.381 9.270 -5.377 655 HB3 ARG 84 HB1 ARG 84 -18.008 9.213 -7.091 656 HG2 ARG 84 HG2 ARG 84 -16.244 10.588 -5.026 657 HG3 ARG 84 HG1 ARG 84 -15.999 8.942 -5.589 658 HD2 ARG 84 HD2 ARG 84 -16.292 10.501 -7.927 659 HD3 ARG 84 HD1 ARG 84 -15.225 11.412 -6.866 660 HE ARG 84 HE ARG 84 -13.598 9.707 -7.105 661 HH11 ARG 84 HH21 ARG 84 -16.704 8.770 -8.272 662 HH12 ARG 84 HH22 ARG 84 -16.132 7.312 -9.014 663 HH21 ARG 84 HH11 ARG 84 -12.834 7.810 -8.068 664 HH22 ARG 84 HH12 ARG 84 -13.942 6.769 -8.899 665 H HIS 85 HN HIS 85 -19.955 11.680 -4.290 666 HA HIS 85 HA HIS 85 -22.450 10.661 -5.546 667 HB2 HIS 85 HB2 HIS 85 -22.018 11.381 -2.645 668 HB3 HIS 85 HB1 HIS 85 -23.316 10.403 -3.329 669 HD1 HIS 85 HD1 HIS 85 -22.940 7.979 -2.927 670 HD2 HIS 85 HD2 HIS 85 -19.337 10.011 -3.434 671 HE1 HIS 85 HE1 HIS 85 -21.106 6.245 -2.714 672 H MET 86 HN MET 86 -21.219 13.384 -3.661 673 HA MET 86 HA MET 86 -22.121 15.533 -3.325 674 HB2 MET 86 HB2 MET 86 -21.170 15.225 -5.814 675 HB3 MET 86 HB1 MET 86 -22.851 15.592 -6.208 676 HG2 MET 86 HG2 MET 86 -22.565 17.537 -4.485 677 HG3 MET 86 HG1 MET 86 -20.839 17.287 -4.748 678 HE1 MET 86 HE1 MET 86 -21.640 19.922 -5.187 679 HE2 MET 86 HE2 MET 86 -23.335 19.688 -5.607 680 HE3 MET 86 HE3 MET 86 -22.253 20.480 -6.751 681 H ARG 87 HN ARG 87 -24.057 13.386 -2.942 682 HA ARG 87 HA ARG 87 -26.547 14.357 -4.164 683 HB2 ARG 87 HB2 ARG 87 -25.813 11.884 -3.421 684 HB3 ARG 87 HB1 ARG 87 -26.588 12.394 -1.920 685 HG2 ARG 87 HG2 ARG 87 -28.618 13.026 -3.195 686 HG3 ARG 87 HG1 ARG 87 -27.846 12.464 -4.679 687 HD2 ARG 87 HD2 ARG 87 -27.501 10.260 -3.189 688 HD3 ARG 87 HD1 ARG 87 -28.947 10.888 -2.400 689 HE ARG 87 HE ARG 87 -28.814 9.779 -5.095 690 HH11 ARG 87 HH21 ARG 87 -30.396 11.931 -2.916 691 HH12 ARG 87 HH22 ARG 87 -31.908 11.886 -3.759 692 HH21 ARG 87 HH11 ARG 87 -30.779 9.708 -6.210 693 HH22 ARG 87 HH12 ARG 87 -32.125 10.628 -5.624 694 H ALA 88 HN ALA 88 -24.666 15.437 -1.694 695 HA ALA 88 HA ALA 88 -26.262 15.811 0.555 696 HB1 ALA 88 HB1 ALA 88 -24.706 18.131 -0.570 697 HB2 ALA 88 HB2 ALA 88 -23.863 16.695 0.012 698 HB3 ALA 88 HB3 ALA 88 -24.880 17.627 1.112 699 H GLY 89 HN GLY 89 -28.009 17.119 1.078 700 HA2 GLY 89 HA2 GLY 89 -29.643 18.822 0.766 701 HA3 GLY 89 HA1 GLY 89 -28.908 19.204 -0.792 Start of MODEL 6 1 H1 VAL 1 HT1 VAL 1 -12.838 -2.260 5.478 2 H2 VAL 1 HT2 VAL 1 -12.230 -2.324 3.892 3 H3 VAL 1 HT3 VAL 1 -11.498 -3.238 5.124 4 HA VAL 1 HA VAL 1 -14.296 -3.801 4.849 5 HB VAL 1 HB VAL 1 -13.841 -5.165 2.724 6 HG11 VAL 1 HG11 VAL 1 -13.789 -2.142 2.480 7 HG12 VAL 1 HG12 VAL 1 -15.235 -3.095 2.815 8 HG13 VAL 1 HG13 VAL 1 -14.394 -3.280 1.276 9 HG21 VAL 1 HG21 VAL 1 -11.267 -4.390 3.090 10 HG22 VAL 1 HG22 VAL 1 -11.806 -3.134 1.978 11 HG23 VAL 1 HG23 VAL 1 -11.923 -4.831 1.514 12 H HIS 2 HN HIS 2 -14.572 -6.106 5.173 13 HA HIS 2 HA HIS 2 -12.237 -7.327 6.532 14 HB2 HIS 2 HB2 HIS 2 -14.901 -8.659 6.475 15 HB3 HIS 2 HB1 HIS 2 -13.735 -8.535 7.793 16 HD1 HIS 2 HD1 HIS 2 -13.699 -6.281 9.152 17 HD2 HIS 2 HD2 HIS 2 -16.779 -6.550 6.351 18 HE1 HIS 2 HE1 HIS 2 -15.331 -4.420 9.698 19 HE2 HIS 2 HE2 HIS 2 -17.209 -4.575 8.000 20 H PHE 3 HN PHE 3 -14.793 -8.392 4.282 21 HA PHE 3 HA PHE 3 -13.264 -10.726 3.465 22 HB2 PHE 3 HB2 PHE 3 -15.449 -9.714 1.721 23 HB3 PHE 3 HB1 PHE 3 -15.152 -11.346 2.320 24 HD1 PHE 3 HD2 PHE 3 -15.601 -11.833 4.794 25 HD2 PHE 3 HD1 PHE 3 -16.993 -8.289 2.806 26 HE1 PHE 3 HE2 PHE 3 -17.267 -11.477 6.596 27 HE2 PHE 3 HE1 PHE 3 -18.660 -7.934 4.608 28 HZ PHE 3 HZ PHE 3 -18.797 -9.528 6.503 29 H CYS 4 HN CYS 4 -11.407 -10.396 2.311 30 HA CYS 4 HA CYS 4 -10.649 -8.162 0.847 31 HB2 CYS 4 HB2 CYS 4 -9.201 -10.137 1.331 32 HB3 CYS 4 HB1 CYS 4 -10.041 -11.022 0.058 33 H ASP 5 HN ASP 5 -10.878 -7.486 -1.306 34 HA ASP 5 HA ASP 5 -13.353 -8.340 -2.601 35 HB2 ASP 5 HB2 ASP 5 -12.157 -5.951 -2.497 36 HB3 ASP 5 HB1 ASP 5 -11.410 -6.542 -3.981 37 H LYS 6 HN LYS 6 -9.940 -9.015 -2.915 38 HA LYS 6 HA LYS 6 -10.394 -10.324 -5.539 39 HB2 LYS 6 HB2 LYS 6 -8.396 -8.716 -4.943 40 HB3 LYS 6 HB1 LYS 6 -7.731 -10.157 -4.178 41 HG2 LYS 6 HG2 LYS 6 -6.894 -10.218 -6.395 42 HG3 LYS 6 HG1 LYS 6 -8.222 -11.375 -6.374 43 HD2 LYS 6 HD2 LYS 6 -9.370 -8.859 -7.018 44 HD3 LYS 6 HD1 LYS 6 -7.918 -9.018 -8.002 45 HE2 LYS 6 HE2 LYS 6 -10.089 -11.120 -7.774 46 HE3 LYS 6 HE1 LYS 6 -9.911 -9.993 -9.119 47 HZ1 LYS 6 HZ1 LYS 6 -8.749 -11.768 -9.909 48 HZ2 LYS 6 HZ2 LYS 6 -8.240 -12.281 -8.371 49 HZ3 LYS 6 HZ3 LYS 6 -7.492 -10.950 -9.118 50 H CYS 7 HN CYS 7 -8.614 -11.068 -2.537 51 HA CYS 7 HA CYS 7 -8.587 -13.888 -3.054 52 HB2 CYS 7 HB2 CYS 7 -8.343 -12.632 -0.322 53 HB3 CYS 7 HB1 CYS 7 -7.579 -14.105 -0.918 54 H GLY 8 HN GLY 8 -11.051 -11.818 -1.883 55 HA2 GLY 8 HA2 GLY 8 -13.177 -12.274 -0.998 56 HA3 GLY 8 HA1 GLY 8 -13.012 -13.853 -1.765 57 H LEU 9 HN LEU 9 -10.484 -13.225 0.405 58 HA LEU 9 HA LEU 9 -11.714 -15.072 2.390 59 HB2 LEU 9 HB2 LEU 9 -8.882 -14.290 1.708 60 HB3 LEU 9 HB1 LEU 9 -9.250 -15.062 3.247 61 HG LEU 9 HG LEU 9 -10.349 -16.288 0.746 62 HD11 LEU 9 HD11 LEU 9 -8.080 -17.674 0.896 63 HD12 LEU 9 HD12 LEU 9 -7.464 -16.148 1.531 64 HD13 LEU 9 HD13 LEU 9 -8.188 -16.207 -0.076 65 HD21 LEU 9 HD21 LEU 9 -9.239 -17.390 3.351 66 HD22 LEU 9 HD22 LEU 9 -9.944 -18.359 2.059 67 HD23 LEU 9 HD23 LEU 9 -10.946 -17.213 2.945 68 HA PRO 10 HA PRO 10 -12.294 -11.793 5.292 69 HB2 PRO 10 HB2 PRO 10 -11.471 -12.989 7.649 70 HB3 PRO 10 HB1 PRO 10 -13.082 -13.138 6.925 71 HG2 PRO 10 HG2 PRO 10 -10.805 -15.035 6.876 72 HG3 PRO 10 HG1 PRO 10 -12.545 -15.356 6.899 73 HD2 PRO 10 HD2 PRO 10 -11.025 -15.605 4.641 74 HD3 PRO 10 HD1 PRO 10 -12.747 -15.173 4.600 75 H ILE 11 HN ILE 11 -10.806 -10.284 4.783 76 HA ILE 11 HA ILE 11 -8.035 -10.280 4.922 77 HB ILE 11 HB ILE 11 -9.946 -8.027 5.596 78 HG12 ILE 11 HG12 ILE 11 -8.472 -8.535 3.010 79 HG13 ILE 11 HG11 ILE 11 -10.061 -9.227 3.314 80 HG21 ILE 11 HG21 ILE 11 -7.029 -8.211 5.511 81 HG22 ILE 11 HG22 ILE 11 -8.051 -6.947 6.186 82 HG23 ILE 11 HG23 ILE 11 -7.668 -6.943 4.465 83 HD11 ILE 11 HD11 ILE 11 -9.575 -6.693 2.286 84 HD12 ILE 11 HD12 ILE 11 -9.935 -6.379 3.980 85 HD13 ILE 11 HD13 ILE 11 -11.101 -7.245 2.977 86 H LYS 12 HN LYS 12 -6.717 -10.782 6.579 87 HA LYS 12 HA LYS 12 -7.634 -10.528 9.364 88 HB2 LYS 12 HB2 LYS 12 -6.181 -12.439 8.500 89 HB3 LYS 12 HB1 LYS 12 -4.863 -11.272 8.381 90 HG2 LYS 12 HG2 LYS 12 -5.109 -10.757 10.788 91 HG3 LYS 12 HG1 LYS 12 -6.404 -11.948 10.905 92 HD2 LYS 12 HD2 LYS 12 -4.804 -13.475 11.354 93 HD3 LYS 12 HD1 LYS 12 -4.323 -13.331 9.663 94 HE2 LYS 12 HE2 LYS 12 -2.367 -12.947 11.050 95 HE3 LYS 12 HE1 LYS 12 -2.836 -11.416 10.309 96 HZ1 LYS 12 HZ1 LYS 12 -3.539 -10.569 12.274 97 HZ2 LYS 12 HZ2 LYS 12 -2.366 -11.638 12.881 98 HZ3 LYS 12 HZ3 LYS 12 -4.009 -12.074 12.901 99 H VAL 13 HN VAL 13 -5.517 -8.913 7.083 100 HA VAL 13 HA VAL 13 -5.254 -6.651 8.986 101 HB VAL 13 HB VAL 13 -2.935 -7.295 7.264 102 HG11 VAL 13 HG11 VAL 13 -3.102 -5.273 8.750 103 HG12 VAL 13 HG12 VAL 13 -1.703 -6.290 9.094 104 HG13 VAL 13 HG13 VAL 13 -3.124 -6.361 10.136 105 HG21 VAL 13 HG21 VAL 13 -2.025 -8.777 9.109 106 HG22 VAL 13 HG22 VAL 13 -3.341 -9.488 8.176 107 HG23 VAL 13 HG23 VAL 13 -3.657 -8.818 9.776 108 H TYR 14 HN TYR 14 -5.312 -4.647 7.903 109 HA TYR 14 HA TYR 14 -6.466 -4.712 5.259 110 HB2 TYR 14 HB2 TYR 14 -5.679 -2.563 7.172 111 HB3 TYR 14 HB1 TYR 14 -6.016 -2.141 5.498 112 HD1 TYR 14 HD2 TYR 14 -7.701 -4.951 7.267 113 HD2 TYR 14 HD1 TYR 14 -8.022 -0.891 5.925 114 HE1 TYR 14 HE2 TYR 14 -10.131 -4.999 7.713 115 HE2 TYR 14 HE1 TYR 14 -10.458 -0.932 6.381 116 HH TYR 14 HH TYR 14 -11.942 -3.379 8.196 117 H GLY 15 HN GLY 15 -5.090 -5.411 3.698 118 HA2 GLY 15 HA2 GLY 15 -2.338 -4.491 3.490 119 HA3 GLY 15 HA1 GLY 15 -3.195 -5.458 2.285 120 H ARG 16 HN ARG 16 -2.657 -2.240 3.487 121 HA ARG 16 HA ARG 16 -4.389 -0.969 1.514 122 HB2 ARG 16 HB2 ARG 16 -3.936 0.089 3.693 123 HB3 ARG 16 HB1 ARG 16 -2.229 0.229 3.272 124 HG2 ARG 16 HG2 ARG 16 -2.610 2.113 2.102 125 HG3 ARG 16 HG1 ARG 16 -3.878 1.328 1.161 126 HD2 ARG 16 HD2 ARG 16 -5.530 1.804 2.844 127 HD3 ARG 16 HD1 ARG 16 -4.299 2.385 3.966 128 HE ARG 16 HE ARG 16 -5.497 3.924 1.828 129 HH11 ARG 16 HH21 ARG 16 -2.620 3.316 3.626 130 HH12 ARG 16 HH22 ARG 16 -1.975 4.906 3.387 131 HH21 ARG 16 HH11 ARG 16 -4.672 6.006 1.510 132 HH22 ARG 16 HH12 ARG 16 -3.136 6.428 2.188 133 H MET 17 HN MET 17 -3.838 -0.003 -0.397 134 HA MET 17 HA MET 17 -0.991 -0.225 -1.274 135 HB2 MET 17 HB2 MET 17 -3.229 -0.507 -3.242 136 HB3 MET 17 HB1 MET 17 -1.591 -1.152 -3.315 137 HG2 MET 17 HG2 MET 17 -2.188 -2.691 -1.417 138 HG3 MET 17 HG1 MET 17 -3.847 -2.115 -1.544 139 HE1 MET 17 HE1 MET 17 -1.413 -5.000 -3.299 140 HE2 MET 17 HE2 MET 17 -0.853 -3.335 -3.203 141 HE3 MET 17 HE3 MET 17 -1.322 -4.008 -4.758 142 H ILE 18 HN ILE 18 -0.184 1.611 -2.140 143 HA ILE 18 HA ILE 18 -2.081 3.820 -2.779 144 HB ILE 18 HB ILE 18 0.291 5.092 -2.454 145 HG12 ILE 18 HG12 ILE 18 0.349 2.797 -0.487 146 HG13 ILE 18 HG11 ILE 18 1.415 2.968 -1.886 147 HG21 ILE 18 HG21 ILE 18 -1.570 4.253 -0.202 148 HG22 ILE 18 HG22 ILE 18 -1.859 5.603 -1.299 149 HG23 ILE 18 HG23 ILE 18 -0.499 5.654 -0.180 150 HD11 ILE 18 HD11 ILE 18 2.780 4.292 -0.690 151 HD12 ILE 18 HD12 ILE 18 1.715 4.129 0.707 152 HD13 ILE 18 HD13 ILE 18 1.456 5.432 -0.451 153 HA PRO 19 HA PRO 19 -1.552 5.934 -3.594 154 HB2 PRO 19 HB2 PRO 19 -2.321 7.289 -5.799 155 HB3 PRO 19 HB1 PRO 19 -0.647 7.334 -5.210 156 HG2 PRO 19 HG2 PRO 19 -1.815 5.820 -7.481 157 HG3 PRO 19 HG1 PRO 19 -0.225 6.585 -7.328 158 HD2 PRO 19 HD2 PRO 19 -0.725 3.857 -6.997 159 HD3 PRO 19 HD1 PRO 19 0.709 4.713 -6.400 160 H CYS 20 HN CYS 20 -2.686 3.326 -5.226 161 HA CYS 20 HA CYS 20 -5.314 3.950 -6.041 162 HB2 CYS 20 HB2 CYS 20 -3.938 1.707 -6.139 163 HB3 CYS 20 HB1 CYS 20 -4.722 1.385 -4.594 164 H LYS 21 HN LYS 21 -3.994 3.322 -2.832 165 HA LYS 21 HA LYS 21 -4.911 3.748 -0.716 166 HB2 LYS 21 HB2 LYS 21 -5.996 5.719 -2.363 167 HB3 LYS 21 HB1 LYS 21 -7.414 4.966 -1.630 168 HG2 LYS 21 HG2 LYS 21 -6.196 5.188 0.609 169 HG3 LYS 21 HG1 LYS 21 -5.055 6.237 -0.233 170 HD2 LYS 21 HD2 LYS 21 -7.334 7.385 -1.061 171 HD3 LYS 21 HD1 LYS 21 -7.911 6.722 0.469 172 HE2 LYS 21 HE2 LYS 21 -5.695 7.770 1.427 173 HE3 LYS 21 HE1 LYS 21 -5.777 8.777 -0.017 174 HZ1 LYS 21 HZ1 LYS 21 -7.871 9.602 0.610 175 HZ2 LYS 21 HZ2 LYS 21 -6.924 9.665 2.018 176 HZ3 LYS 21 HZ3 LYS 21 -8.074 8.431 1.819 177 H HIS 22 HN HIS 22 -5.525 1.445 -2.475 178 HA HIS 22 HA HIS 22 -8.293 0.746 -1.700 179 HB2 HIS 22 HB2 HIS 22 -6.228 -0.502 -3.503 180 HB3 HIS 22 HB1 HIS 22 -7.648 -1.413 -2.993 181 HD2 HIS 22 HD2 HIS 22 -8.665 2.226 -3.452 182 HE1 HIS 22 HE1 HIS 22 -9.475 0.347 -7.144 183 HE2 HIS 22 HE2 HIS 22 -9.853 2.441 -5.763 184 H VAL 23 HN VAL 23 -8.238 -1.907 -1.179 185 HA VAL 23 HA VAL 23 -6.143 -2.373 0.864 186 HB VAL 23 HB VAL 23 -8.635 -3.308 1.913 187 HG11 VAL 23 HG11 VAL 23 -6.656 -1.199 2.820 188 HG12 VAL 23 HG12 VAL 23 -6.595 -2.920 3.205 189 HG13 VAL 23 HG13 VAL 23 -7.905 -1.923 3.827 190 HG21 VAL 23 HG21 VAL 23 -9.631 -1.462 0.597 191 HG22 VAL 23 HG22 VAL 23 -8.499 -0.331 1.339 192 HG23 VAL 23 HG23 VAL 23 -9.718 -1.133 2.327 193 H PHE 24 HN PHE 24 -5.980 -4.596 1.516 194 HA PHE 24 HA PHE 24 -7.577 -6.682 0.247 195 HB2 PHE 24 HB2 PHE 24 -4.694 -6.347 -0.657 196 HB3 PHE 24 HB1 PHE 24 -5.757 -7.683 -1.080 197 HD1 PHE 24 HD1 PHE 24 -5.053 -4.108 -1.573 198 HD2 PHE 24 HD2 PHE 24 -7.510 -7.424 -2.740 199 HE1 PHE 24 HE1 PHE 24 -5.846 -2.817 -3.533 200 HE2 PHE 24 HE2 PHE 24 -8.310 -6.137 -4.699 201 HZ PHE 24 HZ PHE 24 -7.475 -3.844 -5.112 202 H CYS 25 HN CYS 25 -6.598 -8.890 0.881 203 HA CYS 25 HA CYS 25 -5.811 -8.856 3.630 204 HB2 CYS 25 HB2 CYS 25 -4.724 -11.202 2.403 205 HB3 CYS 25 HB1 CYS 25 -6.171 -11.073 3.399 206 H TYR 26 HN TYR 26 -3.919 -7.974 4.361 207 HA TYR 26 HA TYR 26 -1.762 -7.160 2.802 208 HB2 TYR 26 HB2 TYR 26 -2.079 -6.580 5.202 209 HB3 TYR 26 HB1 TYR 26 -1.580 -8.213 5.629 210 HD1 TYR 26 HD1 TYR 26 -0.300 -5.486 3.327 211 HD2 TYR 26 HD2 TYR 26 0.597 -8.379 6.380 212 HE1 TYR 26 HE1 TYR 26 2.075 -4.803 3.281 213 HE2 TYR 26 HE2 TYR 26 2.976 -7.692 6.326 214 HH TYR 26 HH TYR 26 4.139 -5.275 3.992 215 H ASP 27 HN ASP 27 -2.585 -10.396 3.692 216 HA ASP 27 HA ASP 27 0.071 -11.492 3.238 217 HB2 ASP 27 HB2 ASP 27 -2.407 -13.139 2.869 218 HB3 ASP 27 HB1 ASP 27 -0.885 -13.573 3.650 219 H CYS 28 HN CYS 28 -2.864 -11.042 1.333 220 HA CYS 28 HA CYS 28 -1.609 -12.217 -1.038 221 HB2 CYS 28 HB2 CYS 28 -3.721 -12.291 -1.871 222 HB3 CYS 28 HB1 CYS 28 -4.244 -11.819 -0.255 223 H ALA 29 HN ALA 29 -1.908 -9.126 0.472 224 HA ALA 29 HA ALA 29 -1.432 -7.537 -1.887 225 HB1 ALA 29 HB1 ALA 29 -2.297 -6.860 0.536 226 HB2 ALA 29 HB2 ALA 29 -1.374 -5.712 -0.433 227 HB3 ALA 29 HB3 ALA 29 -0.576 -6.630 0.845 228 H ILE 30 HN ILE 30 0.605 -9.173 0.502 229 HA ILE 30 HA ILE 30 3.033 -8.001 -0.615 230 HB ILE 30 HB ILE 30 4.209 -9.471 0.935 231 HG12 ILE 30 HG12 ILE 30 1.492 -10.570 1.664 232 HG13 ILE 30 HG11 ILE 30 2.664 -11.454 0.691 233 HG21 ILE 30 HG21 ILE 30 2.281 -8.780 2.875 234 HG22 ILE 30 HG22 ILE 30 2.169 -7.570 1.597 235 HG23 ILE 30 HG23 ILE 30 3.709 -7.862 2.403 236 HD11 ILE 30 HD11 ILE 30 2.990 -10.531 3.553 237 HD12 ILE 30 HD12 ILE 30 4.310 -11.180 2.579 238 HD13 ILE 30 HD13 ILE 30 2.920 -12.193 2.968 239 H LEU 31 HN LEU 31 1.186 -11.006 -0.918 240 HA LEU 31 HA LEU 31 3.164 -12.410 -2.466 241 HB2 LEU 31 HB2 LEU 31 0.140 -12.594 -2.478 242 HB3 LEU 31 HB1 LEU 31 1.171 -13.679 -3.399 243 HG LEU 31 HG LEU 31 1.594 -13.298 -0.435 244 HD11 LEU 31 HD11 LEU 31 -0.605 -14.717 -1.824 245 HD12 LEU 31 HD12 LEU 31 -0.523 -14.112 -0.170 246 HD13 LEU 31 HD13 LEU 31 0.231 -15.650 -0.584 247 HD21 LEU 31 HD21 LEU 31 3.074 -15.005 -0.664 248 HD22 LEU 31 HD22 LEU 31 2.978 -14.710 -2.397 249 HD23 LEU 31 HD23 LEU 31 1.960 -15.941 -1.656 250 H HIS 32 HN HIS 32 0.614 -10.102 -3.306 251 HA HIS 32 HA HIS 32 1.044 -10.289 -6.157 252 HB2 HIS 32 HB2 HIS 32 -0.442 -8.481 -4.312 253 HB3 HIS 32 HB1 HIS 32 -0.034 -7.843 -5.906 254 HD1 HIS 32 HD1 HIS 32 -0.960 -9.183 -7.997 255 HD2 HIS 32 HD2 HIS 32 -2.455 -10.449 -4.313 256 HE1 HIS 32 HE1 HIS 32 -2.971 -10.644 -8.501 257 HE2 HIS 32 HE2 HIS 32 -3.887 -11.418 -6.267 258 H GLU 33 HN GLU 33 2.395 -8.331 -3.550 259 HA GLU 33 HA GLU 33 3.828 -6.526 -5.284 260 HB2 GLU 33 HB2 GLU 33 4.309 -5.496 -3.336 261 HB3 GLU 33 HB1 GLU 33 3.378 -6.751 -2.531 262 HG2 GLU 33 HG2 GLU 33 5.455 -8.133 -2.346 263 HG3 GLU 33 HG1 GLU 33 6.368 -6.794 -3.055 264 H LYS 34 HN LYS 34 4.566 -9.658 -3.826 265 HA LYS 34 HA LYS 34 7.343 -9.627 -4.696 266 HB2 LYS 34 HB2 LYS 34 5.487 -11.621 -3.460 267 HB3 LYS 34 HB1 LYS 34 6.915 -12.233 -4.295 268 HG2 LYS 34 HG2 LYS 34 8.388 -11.227 -2.809 269 HG3 LYS 34 HG1 LYS 34 7.244 -9.957 -2.375 270 HD2 LYS 34 HD2 LYS 34 5.942 -11.470 -1.037 271 HD3 LYS 34 HD1 LYS 34 6.839 -12.865 -1.638 272 HE2 LYS 34 HE2 LYS 34 8.874 -12.077 -0.549 273 HE3 LYS 34 HE1 LYS 34 8.058 -10.604 -0.026 274 HZ1 LYS 34 HZ1 LYS 34 8.255 -12.646 1.559 275 HZ2 LYS 34 HZ2 LYS 34 6.898 -13.199 0.698 276 HZ3 LYS 34 HZ3 LYS 34 6.835 -11.718 1.528 277 H LYS 35 HN LYS 35 4.282 -10.377 -6.125 278 HA LYS 35 HA LYS 35 5.411 -12.035 -8.241 279 HB2 LYS 35 HB2 LYS 35 2.685 -10.892 -7.698 280 HB3 LYS 35 HB1 LYS 35 3.053 -11.663 -9.239 281 HG2 LYS 35 HG2 LYS 35 3.604 -13.741 -8.166 282 HG3 LYS 35 HG1 LYS 35 3.555 -12.995 -6.568 283 HD2 LYS 35 HD2 LYS 35 1.198 -12.742 -6.634 284 HD3 LYS 35 HD1 LYS 35 1.137 -13.018 -8.376 285 HE2 LYS 35 HE2 LYS 35 1.973 -15.094 -6.330 286 HE3 LYS 35 HE1 LYS 35 0.378 -15.004 -7.074 287 HZ1 LYS 35 HZ1 LYS 35 2.508 -16.364 -8.061 288 HZ2 LYS 35 HZ2 LYS 35 2.517 -14.937 -8.984 289 HZ3 LYS 35 HZ3 LYS 35 1.131 -15.918 -8.943 290 H GLY 36 HN GLY 36 3.463 -9.079 -8.584 291 HA2 GLY 36 HA2 GLY 36 5.048 -8.393 -10.989 292 HA3 GLY 36 HA1 GLY 36 3.538 -7.627 -10.498 293 H ASP 37 HN ASP 37 4.322 -7.111 -7.772 294 HA ASP 37 HA ASP 37 5.580 -5.587 -6.482 295 HB2 ASP 37 HB2 ASP 37 7.474 -6.626 -8.100 296 HB3 ASP 37 HB1 ASP 37 7.478 -4.958 -8.674 297 H LYS 38 HN LYS 38 3.620 -4.908 -8.895 298 HA LYS 38 HA LYS 38 3.566 -2.093 -8.322 299 HB2 LYS 38 HB2 LYS 38 4.045 -1.454 -10.740 300 HB3 LYS 38 HB1 LYS 38 5.411 -1.849 -9.698 301 HG2 LYS 38 HG2 LYS 38 5.901 -3.768 -10.833 302 HG3 LYS 38 HG1 LYS 38 4.201 -4.150 -11.110 303 HD2 LYS 38 HD2 LYS 38 4.101 -2.413 -12.872 304 HD3 LYS 38 HD1 LYS 38 5.809 -2.055 -12.606 305 HE2 LYS 38 HE2 LYS 38 5.946 -4.738 -12.967 306 HE3 LYS 38 HE1 LYS 38 4.549 -4.366 -13.977 307 HZ1 LYS 38 HZ1 LYS 38 5.949 -2.559 -14.974 308 HZ2 LYS 38 HZ2 LYS 38 6.446 -4.145 -15.334 309 HZ3 LYS 38 HZ3 LYS 38 7.280 -3.233 -14.168 310 H MET 39 HN MET 39 1.716 -4.466 -8.617 311 HA MET 39 HA MET 39 -0.272 -3.076 -10.319 312 HB2 MET 39 HB2 MET 39 -0.988 -5.247 -11.298 313 HB3 MET 39 HB1 MET 39 0.632 -4.765 -11.786 314 HG2 MET 39 HG2 MET 39 1.479 -6.188 -9.823 315 HG3 MET 39 HG1 MET 39 -0.157 -6.830 -9.725 316 HE1 MET 39 HE1 MET 39 1.836 -6.025 -13.348 317 HE2 MET 39 HE2 MET 39 3.028 -7.233 -12.878 318 HE3 MET 39 HE3 MET 39 2.677 -5.887 -11.799 319 H CYS 40 HN CYS 40 -2.177 -2.963 -9.367 320 HA CYS 40 HA CYS 40 -2.580 -4.034 -6.725 321 HB2 CYS 40 HB2 CYS 40 -3.649 -1.932 -7.985 322 HB3 CYS 40 HB1 CYS 40 -4.925 -3.102 -8.313 323 HA PRO 41 HA PRO 41 -3.936 -8.181 -7.762 324 HB2 PRO 41 HB2 PRO 41 -6.077 -7.741 -5.741 325 HB3 PRO 41 HB1 PRO 41 -4.913 -9.071 -5.882 326 HG2 PRO 41 HG2 PRO 41 -4.682 -7.094 -4.065 327 HG3 PRO 41 HG1 PRO 41 -3.298 -7.956 -4.752 328 HD2 PRO 41 HD2 PRO 41 -4.170 -5.181 -5.217 329 HD3 PRO 41 HD1 PRO 41 -2.586 -5.935 -5.503 330 H GLY 42 HN GLY 42 -6.575 -5.844 -7.161 331 HA2 GLY 42 HA2 GLY 42 -8.102 -7.146 -9.394 332 HA3 GLY 42 HA1 GLY 42 -8.839 -6.246 -8.078 333 H CYS 43 HN CYS 43 -6.773 -4.081 -8.304 334 HA CYS 43 HA CYS 43 -8.110 -2.653 -10.516 335 HB2 CYS 43 HB2 CYS 43 -6.131 -1.163 -8.963 336 HB3 CYS 43 HB1 CYS 43 -7.836 -0.809 -9.246 337 H SER 44 HN SER 44 -5.128 -4.236 -9.912 338 HA SER 44 HA SER 44 -3.088 -4.238 -11.088 339 HB2 SER 44 HB2 SER 44 -3.334 -4.429 -13.437 340 HB3 SER 44 HB1 SER 44 -4.876 -4.988 -12.797 341 HG SER 44 HG SER 44 -4.213 -2.514 -13.988 342 H ASP 45 HN ASP 45 -3.706 -1.773 -9.752 343 HA ASP 45 HA ASP 45 -2.931 0.357 -11.643 344 HB2 ASP 45 HB2 ASP 45 -4.248 0.221 -9.044 345 HB3 ASP 45 HB1 ASP 45 -2.964 1.428 -9.061 346 HA PRO 46 HA PRO 46 1.356 0.342 -10.687 347 HB2 PRO 46 HB2 PRO 46 1.857 3.023 -10.104 348 HB3 PRO 46 HB1 PRO 46 1.751 2.333 -11.731 349 HG2 PRO 46 HG2 PRO 46 -0.288 3.836 -10.181 350 HG3 PRO 46 HG1 PRO 46 0.070 3.870 -11.916 351 HD2 PRO 46 HD2 PRO 46 -2.072 2.534 -10.916 352 HD3 PRO 46 HD1 PRO 46 -1.193 1.967 -12.354 353 H VAL 47 HN VAL 47 0.589 -0.857 -8.618 354 HA VAL 47 HA VAL 47 0.226 0.238 -6.091 355 HB VAL 47 HB VAL 47 2.019 -2.101 -6.758 356 HG11 VAL 47 HG11 VAL 47 1.316 -2.845 -4.470 357 HG12 VAL 47 HG12 VAL 47 0.640 -1.234 -4.226 358 HG13 VAL 47 HG13 VAL 47 2.372 -1.434 -4.488 359 HG21 VAL 47 HG21 VAL 47 -0.320 -2.139 -7.691 360 HG22 VAL 47 HG22 VAL 47 -0.907 -2.083 -6.031 361 HG23 VAL 47 HG23 VAL 47 0.055 -3.455 -6.581 362 H GLN 48 HN GLN 48 1.387 2.167 -5.669 363 HA GLN 48 HA GLN 48 4.201 2.462 -6.150 364 HB2 GLN 48 HB2 GLN 48 2.956 4.479 -5.882 365 HB3 GLN 48 HB1 GLN 48 2.263 3.934 -4.355 366 HG2 GLN 48 HG2 GLN 48 4.155 4.449 -3.160 367 HG3 GLN 48 HG1 GLN 48 5.233 4.067 -4.503 368 HE21 GLN 48 HE21 GLN 48 5.390 5.724 -6.270 369 HE22 GLN 48 HE22 GLN 48 5.062 7.352 -5.916 370 H ARG 49 HN ARG 49 2.465 2.101 -3.036 371 HA ARG 49 HA ARG 49 4.553 0.206 -2.194 372 HB2 ARG 49 HB2 ARG 49 5.738 1.709 -1.016 373 HB3 ARG 49 HB1 ARG 49 4.582 2.975 -1.400 374 HG2 ARG 49 HG2 ARG 49 3.181 2.317 0.506 375 HG3 ARG 49 HG1 ARG 49 4.279 0.979 0.868 376 HD2 ARG 49 HD2 ARG 49 5.338 3.785 0.699 377 HD3 ARG 49 HD1 ARG 49 4.543 3.230 2.172 378 HE ARG 49 HE ARG 49 6.490 1.291 1.391 379 HH11 ARG 49 HH21 ARG 49 6.150 4.506 2.586 380 HH12 ARG 49 HH22 ARG 49 7.656 4.490 3.442 381 HH21 ARG 49 HH11 ARG 49 8.460 1.251 2.501 382 HH22 ARG 49 HH12 ARG 49 8.964 2.647 3.394 383 H ILE 50 HN ILE 50 3.753 -1.307 -0.771 384 HA ILE 50 HA ILE 50 0.887 -1.063 -0.113 385 HB ILE 50 HB ILE 50 2.605 -3.459 0.456 386 HG12 ILE 50 HG12 ILE 50 1.454 -2.508 -2.162 387 HG13 ILE 50 HG11 ILE 50 3.095 -3.042 -1.820 388 HG21 ILE 50 HG21 ILE 50 0.603 -4.606 0.594 389 HG22 ILE 50 HG22 ILE 50 -0.213 -3.521 -0.528 390 HG23 ILE 50 HG23 ILE 50 0.075 -3.014 1.135 391 HD11 ILE 50 HD11 ILE 50 0.598 -4.727 -2.014 392 HD12 ILE 50 HD12 ILE 50 2.068 -5.320 -1.242 393 HD13 ILE 50 HD13 ILE 50 2.085 -4.870 -2.948 394 H GLU 51 HN GLU 51 0.139 -1.254 1.959 395 HA GLU 51 HA GLU 51 2.112 -1.284 4.173 396 HB2 GLU 51 HB2 GLU 51 -0.054 0.817 3.912 397 HB3 GLU 51 HB1 GLU 51 1.140 0.691 5.207 398 HG2 GLU 51 HG2 GLU 51 2.946 0.922 3.483 399 HG3 GLU 51 HG1 GLU 51 1.694 1.227 2.278 400 H GLN 52 HN GLN 52 1.180 -1.856 6.212 401 HA GLN 52 HA GLN 52 -1.399 -3.330 5.940 402 HB2 GLN 52 HB2 GLN 52 -0.610 -4.873 7.544 403 HB3 GLN 52 HB1 GLN 52 0.802 -4.546 6.539 404 HG2 GLN 52 HG2 GLN 52 1.319 -2.666 8.255 405 HG3 GLN 52 HG1 GLN 52 0.185 -3.520 9.305 406 HE21 GLN 52 HE21 GLN 52 0.714 -5.851 9.789 407 HE22 GLN 52 HE22 GLN 52 2.335 -6.352 9.758 408 H CYS 53 HN CYS 53 -3.065 -2.865 7.351 409 HA CYS 53 HA CYS 53 -2.513 -1.076 9.654 410 HB2 CYS 53 HB2 CYS 53 -3.810 -0.279 7.198 411 HB3 CYS 53 HB1 CYS 53 -4.940 -0.164 8.547 412 H THR 54 HN THR 54 -4.481 -0.936 11.102 413 HA THR 54 HA THR 54 -5.639 -3.613 11.391 414 HB THR 54 HB THR 54 -6.852 -1.884 13.245 415 HG1 THR 54 HG1 THR 54 -4.099 -1.297 12.898 416 HG21 THR 54 HG21 THR 54 -4.397 -3.650 13.436 417 HG22 THR 54 HG22 THR 54 -6.067 -4.123 13.753 418 HG23 THR 54 HG23 THR 54 -5.254 -2.987 14.829 419 H ARG 55 HN ARG 55 -7.999 -3.937 11.548 420 HA ARG 55 HA ARG 55 -9.388 -2.567 9.413 421 HB2 ARG 55 HB2 ARG 55 -11.275 -4.005 9.964 422 HB3 ARG 55 HB1 ARG 55 -9.795 -4.963 10.035 423 HG2 ARG 55 HG2 ARG 55 -9.740 -4.404 12.540 424 HG3 ARG 55 HG1 ARG 55 -11.404 -3.852 12.338 425 HD2 ARG 55 HD2 ARG 55 -11.464 -6.168 13.044 426 HD3 ARG 55 HD1 ARG 55 -11.958 -6.097 11.352 427 HE ARG 55 HE ARG 55 -9.990 -7.279 10.777 428 HH11 ARG 55 HH21 ARG 55 -9.890 -6.021 13.986 429 HH12 ARG 55 HH22 ARG 55 -8.435 -6.858 14.412 430 HH21 ARG 55 HH11 ARG 55 -8.091 -8.381 11.315 431 HH22 ARG 55 HH12 ARG 55 -7.417 -8.194 12.899 432 H GLY 56 HN GLY 56 -8.515 -0.856 11.597 433 HA2 GLY 56 HA2 GLY 56 -11.111 0.475 12.077 434 HA3 GLY 56 HA1 GLY 56 -10.132 0.093 13.499 435 H SER 57 HN SER 57 -8.299 0.664 10.696 436 HA SER 57 HA SER 57 -7.413 3.261 11.823 437 HB2 SER 57 HB2 SER 57 -6.201 1.413 9.758 438 HB3 SER 57 HB1 SER 57 -5.510 2.973 10.196 439 HG SER 57 HG SER 57 -5.632 0.591 11.616 440 H LEU 58 HN LEU 58 -8.975 1.917 8.981 441 HA LEU 58 HA LEU 58 -9.031 4.657 7.764 442 HB2 LEU 58 HB2 LEU 58 -9.808 2.299 6.138 443 HB3 LEU 58 HB1 LEU 58 -8.910 3.737 5.672 444 HG LEU 58 HG LEU 58 -7.819 1.416 7.292 445 HD11 LEU 58 HD11 LEU 58 -7.030 2.361 4.532 446 HD12 LEU 58 HD12 LEU 58 -8.252 1.117 4.785 447 HD13 LEU 58 HD13 LEU 58 -6.591 0.847 5.321 448 HD21 LEU 58 HD21 LEU 58 -5.736 3.005 6.316 449 HD22 LEU 58 HD22 LEU 58 -6.290 2.939 7.986 450 HD23 LEU 58 HD23 LEU 58 -6.924 4.170 6.897 451 H PHE 59 HN PHE 59 -11.075 4.939 6.363 452 HA PHE 59 HA PHE 59 -13.437 3.889 7.864 453 HB2 PHE 59 HB2 PHE 59 -13.167 6.534 6.406 454 HB3 PHE 59 HB1 PHE 59 -14.570 5.989 7.326 455 HD1 PHE 59 HD2 PHE 59 -10.932 6.769 7.637 456 HD2 PHE 59 HD1 PHE 59 -14.693 6.318 9.662 457 HE1 PHE 59 HE2 PHE 59 -9.919 7.663 9.717 458 HE2 PHE 59 HE1 PHE 59 -13.681 7.211 11.742 459 HZ PHE 59 HZ PHE 59 -11.293 7.883 11.769 460 H MET 60 HN MET 60 -14.733 2.606 6.648 461 HA MET 60 HA MET 60 -14.263 2.415 3.750 462 HB2 MET 60 HB2 MET 60 -14.920 0.573 5.668 463 HB3 MET 60 HB1 MET 60 -16.491 0.880 4.926 464 HG2 MET 60 HG2 MET 60 -13.956 0.081 3.467 465 HG3 MET 60 HG1 MET 60 -15.360 -0.947 3.751 466 HE1 MET 60 HE1 MET 60 -13.885 -0.234 1.018 467 HE2 MET 60 HE2 MET 60 -13.609 1.445 1.476 468 HE3 MET 60 HE3 MET 60 -14.584 1.075 0.056 469 H CYS 61 HN CYS 61 -15.776 2.916 2.150 470 HA CYS 61 HA CYS 61 -17.959 4.747 3.002 471 HB2 CYS 61 HB2 CYS 61 -16.387 5.494 1.205 472 HB3 CYS 61 HB1 CYS 61 -16.932 4.144 0.206 473 H SER 62 HN SER 62 -19.833 3.666 3.428 474 HA SER 62 HA SER 62 -20.535 1.298 1.756 475 HB2 SER 62 HB2 SER 62 -22.160 0.786 3.524 476 HB3 SER 62 HB1 SER 62 -20.552 0.997 4.212 477 HG SER 62 HG SER 62 -22.696 2.229 4.944 478 H ILE 63 HN ILE 63 -20.847 3.603 0.330 479 HA ILE 63 HA ILE 63 -23.678 4.454 0.626 480 HB ILE 63 HB ILE 63 -21.534 5.418 -1.290 481 HG12 ILE 63 HG12 ILE 63 -21.381 5.818 1.327 482 HG13 ILE 63 HG11 ILE 63 -21.036 7.127 0.201 483 HG21 ILE 63 HG21 ILE 63 -23.596 5.934 -2.298 484 HG22 ILE 63 HG22 ILE 63 -23.214 7.398 -1.392 485 HG23 ILE 63 HG23 ILE 63 -24.380 6.242 -0.750 486 HD11 ILE 63 HD11 ILE 63 -23.806 6.674 1.322 487 HD12 ILE 63 HD12 ILE 63 -23.179 8.118 0.534 488 HD13 ILE 63 HD13 ILE 63 -22.615 7.680 2.143 489 H VAL 64 HN VAL 64 -21.497 3.045 -1.826 490 HA VAL 64 HA VAL 64 -23.723 1.464 -2.895 491 HB VAL 64 HB VAL 64 -23.990 3.668 -4.032 492 HG11 VAL 64 HG11 VAL 64 -22.233 4.797 -4.895 493 HG12 VAL 64 HG12 VAL 64 -21.617 3.362 -5.713 494 HG13 VAL 64 HG13 VAL 64 -21.210 3.656 -4.023 495 HG21 VAL 64 HG21 VAL 64 -24.389 2.737 -6.129 496 HG22 VAL 64 HG22 VAL 64 -24.271 1.278 -5.147 497 HG23 VAL 64 HG23 VAL 64 -22.894 1.804 -6.114 498 H GLN 65 HN GLN 65 -22.810 0.232 -4.955 499 HA GLN 65 HA GLN 65 -20.353 -1.064 -4.089 500 HB2 GLN 65 HB2 GLN 65 -21.927 -1.379 -6.665 501 HB3 GLN 65 HB1 GLN 65 -20.661 -2.466 -6.093 502 HG2 GLN 65 HG2 GLN 65 -21.962 -3.204 -4.258 503 HG3 GLN 65 HG1 GLN 65 -23.080 -1.847 -4.399 504 HE21 GLN 65 HE21 GLN 65 -22.134 -4.934 -5.907 505 HE22 GLN 65 HE22 GLN 65 -23.556 -5.115 -6.817 506 H GLY 66 HN GLY 66 -21.108 1.601 -6.127 507 HA2 GLY 66 HA2 GLY 66 -18.598 1.394 -7.666 508 HA3 GLY 66 HA1 GLY 66 -19.817 2.657 -7.840 509 H CYS 67 HN CYS 67 -19.223 2.183 -4.589 510 HA CYS 67 HA CYS 67 -18.233 4.719 -4.017 511 HB2 CYS 67 HB2 CYS 67 -18.066 2.081 -2.634 512 HB3 CYS 67 HB1 CYS 67 -17.042 3.387 -2.033 513 H LYS 68 HN LYS 68 -16.044 5.426 -3.400 514 HA LYS 68 HA LYS 68 -14.116 4.620 -5.424 515 HB2 LYS 68 HB2 LYS 68 -14.333 6.744 -3.375 516 HB3 LYS 68 HB1 LYS 68 -12.692 6.218 -3.742 517 HG2 LYS 68 HG2 LYS 68 -13.091 6.596 -6.142 518 HG3 LYS 68 HG1 LYS 68 -14.743 7.106 -5.793 519 HD2 LYS 68 HD2 LYS 68 -14.087 9.142 -4.977 520 HD3 LYS 68 HD1 LYS 68 -12.603 8.498 -4.277 521 HE2 LYS 68 HE2 LYS 68 -12.427 10.075 -6.352 522 HE3 LYS 68 HE1 LYS 68 -11.439 8.615 -6.311 523 HZ1 LYS 68 HZ1 LYS 68 -12.966 7.493 -7.705 524 HZ2 LYS 68 HZ2 LYS 68 -12.672 9.001 -8.428 525 HZ3 LYS 68 HZ3 LYS 68 -14.117 8.732 -7.576 526 H ARG 69 HN ARG 69 -13.623 4.898 -1.884 527 HA ARG 69 HA ARG 69 -12.763 2.176 -1.543 528 HB2 ARG 69 HB2 ARG 69 -10.342 2.583 -1.357 529 HB3 ARG 69 HB1 ARG 69 -10.902 2.971 -2.976 530 HG2 ARG 69 HG2 ARG 69 -11.235 5.342 -1.504 531 HG3 ARG 69 HG1 ARG 69 -9.661 4.710 -1.020 532 HD2 ARG 69 HD2 ARG 69 -8.988 4.537 -3.374 533 HD3 ARG 69 HD1 ARG 69 -10.576 5.106 -3.885 534 HE ARG 69 HE ARG 69 -9.513 7.056 -2.129 535 HH11 ARG 69 HH21 ARG 69 -8.878 5.579 -5.180 536 HH12 ARG 69 HH22 ARG 69 -8.107 6.979 -5.847 537 HH21 ARG 69 HH11 ARG 69 -8.509 8.892 -2.983 538 HH22 ARG 69 HH12 ARG 69 -7.898 8.855 -4.603 539 H THR 70 HN THR 70 -10.618 2.908 0.345 540 HA THR 70 HA THR 70 -12.322 3.773 2.598 541 HB THR 70 HB THR 70 -9.710 3.347 3.519 542 HG1 THR 70 HG1 THR 70 -9.650 1.085 2.447 543 HG21 THR 70 HG21 THR 70 -11.642 2.568 4.708 544 HG22 THR 70 HG22 THR 70 -10.682 1.145 4.299 545 HG23 THR 70 HG23 THR 70 -12.124 1.536 3.363 546 H TYR 71 HN TYR 71 -10.683 5.122 4.255 547 HA TYR 71 HA TYR 71 -9.200 7.175 2.779 548 HB2 TYR 71 HB2 TYR 71 -11.645 7.847 4.431 549 HB3 TYR 71 HB1 TYR 71 -10.517 9.026 3.768 550 HD1 TYR 71 HD1 TYR 71 -13.098 6.519 2.936 551 HD2 TYR 71 HD2 TYR 71 -10.453 9.529 1.395 552 HE1 TYR 71 HE1 TYR 71 -14.305 6.473 0.771 553 HE2 TYR 71 HE2 TYR 71 -11.661 9.485 -0.770 554 HH TYR 71 HH TYR 71 -14.629 7.645 -1.177 555 H LEU 72 HN LEU 72 -8.492 8.895 4.570 556 HA LEU 72 HA LEU 72 -7.541 7.286 6.892 557 HB2 LEU 72 HB2 LEU 72 -6.183 9.831 6.435 558 HB3 LEU 72 HB1 LEU 72 -5.503 8.215 6.609 559 HG LEU 72 HG LEU 72 -6.742 9.354 4.082 560 HD11 LEU 72 HD11 LEU 72 -3.893 8.464 4.368 561 HD12 LEU 72 HD12 LEU 72 -4.355 10.055 4.973 562 HD13 LEU 72 HD13 LEU 72 -4.586 9.657 3.270 563 HD21 LEU 72 HD21 LEU 72 -6.275 6.637 4.949 564 HD22 LEU 72 HD22 LEU 72 -5.207 7.014 3.599 565 HD23 LEU 72 HD23 LEU 72 -6.949 7.203 3.421 566 H SER 73 HN SER 73 -9.653 9.802 6.046 567 HA SER 73 HA SER 73 -10.024 10.427 8.908 568 HB2 SER 73 HB2 SER 73 -8.324 12.066 8.212 569 HB3 SER 73 HB1 SER 73 -9.351 12.574 6.873 570 HG SER 73 HG SER 73 -9.869 13.972 8.436 571 H GLN 74 HN GLN 74 -12.167 10.718 9.316 572 HA GLN 74 HA GLN 74 -14.193 10.215 7.472 573 HB2 GLN 74 HB2 GLN 74 -14.235 10.645 10.098 574 HB3 GLN 74 HB1 GLN 74 -14.730 12.261 9.591 575 HG2 GLN 74 HG2 GLN 74 -16.795 11.200 9.721 576 HG3 GLN 74 HG1 GLN 74 -16.389 10.922 8.027 577 HE21 GLN 74 HE21 GLN 74 -15.274 8.761 7.557 578 HE22 GLN 74 HE22 GLN 74 -15.689 7.425 8.517 579 H ARG 75 HN ARG 75 -12.307 13.096 7.861 580 HA ARG 75 HA ARG 75 -14.128 14.932 6.579 581 HB2 ARG 75 HB2 ARG 75 -12.174 15.576 8.027 582 HB3 ARG 75 HB1 ARG 75 -11.104 15.061 6.725 583 HG2 ARG 75 HG2 ARG 75 -12.885 16.709 5.408 584 HG3 ARG 75 HG1 ARG 75 -12.705 17.506 6.968 585 HD2 ARG 75 HD2 ARG 75 -10.175 17.205 6.652 586 HD3 ARG 75 HD1 ARG 75 -10.548 16.814 4.972 587 HE ARG 75 HE ARG 75 -10.662 19.466 6.176 588 HH11 ARG 75 HH21 ARG 75 -11.891 17.328 3.767 589 HH12 ARG 75 HH22 ARG 75 -12.372 18.600 2.694 590 HH21 ARG 75 HH11 ARG 75 -11.283 21.139 4.791 591 HH22 ARG 75 HH12 ARG 75 -12.028 20.758 3.274 592 H ASP 76 HN ASP 76 -11.667 12.697 5.427 593 HA ASP 76 HA ASP 76 -11.790 13.755 2.693 594 HB2 ASP 76 HB2 ASP 76 -10.413 11.356 3.929 595 HB3 ASP 76 HB1 ASP 76 -10.345 11.719 2.204 596 H LEU 77 HN LEU 77 -13.081 11.092 4.574 597 HA LEU 77 HA LEU 77 -14.308 9.780 2.298 598 HB2 LEU 77 HB2 LEU 77 -13.860 8.378 4.168 599 HB3 LEU 77 HB1 LEU 77 -14.575 9.521 5.294 600 HG LEU 77 HG LEU 77 -16.406 8.567 3.172 601 HD11 LEU 77 HD11 LEU 77 -15.153 6.719 5.192 602 HD12 LEU 77 HD12 LEU 77 -15.378 6.462 3.464 603 HD13 LEU 77 HD13 LEU 77 -16.766 6.426 4.550 604 HD21 LEU 77 HD21 LEU 77 -16.859 9.993 5.313 605 HD22 LEU 77 HD22 LEU 77 -16.761 8.456 6.168 606 HD23 LEU 77 HD23 LEU 77 -17.987 8.698 4.925 607 H GLN 78 HN GLN 78 -15.173 12.190 4.714 608 HA GLN 78 HA GLN 78 -17.961 12.228 3.980 609 HB2 GLN 78 HB2 GLN 78 -17.158 13.168 6.147 610 HB3 GLN 78 HB1 GLN 78 -16.334 14.445 5.250 611 HG2 GLN 78 HG2 GLN 78 -18.477 15.295 6.018 612 HG3 GLN 78 HG1 GLN 78 -18.555 15.096 4.269 613 HE21 GLN 78 HE21 GLN 78 -19.819 13.235 3.426 614 HE22 GLN 78 HE22 GLN 78 -20.958 12.455 4.414 615 H ALA 79 HN ALA 79 -15.028 13.738 2.959 616 HA ALA 79 HA ALA 79 -16.293 15.607 1.125 617 HB1 ALA 79 HB1 ALA 79 -13.450 14.538 1.129 618 HB2 ALA 79 HB2 ALA 79 -13.989 15.935 2.061 619 HB3 ALA 79 HB3 ALA 79 -14.023 15.985 0.299 620 H HIS 80 HN HIS 80 -15.536 12.228 1.139 621 HA HIS 80 HA HIS 80 -15.354 12.008 -1.769 622 HB2 HIS 80 HB2 HIS 80 -14.325 10.209 -0.660 623 HB3 HIS 80 HB1 HIS 80 -15.679 10.005 0.446 624 HD1 HIS 80 HD1 HIS 80 -15.166 9.840 -3.343 625 HD2 HIS 80 HD2 HIS 80 -17.295 7.963 -0.310 626 HE1 HIS 80 HE1 HIS 80 -16.466 7.961 -4.441 627 H ILE 81 HN ILE 81 -17.876 11.454 0.648 628 HA ILE 81 HA ILE 81 -19.965 10.612 -1.072 629 HB ILE 81 HB ILE 81 -20.603 12.547 1.089 630 HG12 ILE 81 HG12 ILE 81 -18.810 11.419 2.128 631 HG13 ILE 81 HG11 ILE 81 -20.280 10.727 2.790 632 HG21 ILE 81 HG21 ILE 81 -22.398 11.391 -0.079 633 HG22 ILE 81 HG22 ILE 81 -22.327 10.834 1.594 634 HG23 ILE 81 HG23 ILE 81 -21.670 9.832 0.303 635 HD11 ILE 81 HD11 ILE 81 -19.854 9.087 0.660 636 HD12 ILE 81 HD12 ILE 81 -19.263 8.752 2.286 637 HD13 ILE 81 HD13 ILE 81 -18.199 9.500 1.100 638 H ASN 82 HN ASN 82 -19.195 13.877 0.073 639 HA ASN 82 HA ASN 82 -21.164 15.134 -1.597 640 HB2 ASN 82 HB2 ASN 82 -18.709 16.558 -0.603 641 HB3 ASN 82 HB1 ASN 82 -20.360 17.163 -0.750 642 HD21 ASN 82 HD21 ASN 82 -18.311 16.639 1.637 643 HD22 ASN 82 HD22 ASN 82 -19.313 15.937 2.813 644 H HIS 83 HN HIS 83 -17.952 13.973 -2.216 645 HA HIS 83 HA HIS 83 -17.646 15.774 -4.500 646 HB2 HIS 83 HB2 HIS 83 -15.932 13.596 -3.349 647 HB3 HIS 83 HB1 HIS 83 -15.559 14.334 -4.901 648 HD1 HIS 83 HD1 HIS 83 -13.388 15.380 -3.787 649 HD2 HIS 83 HD2 HIS 83 -17.001 16.754 -2.221 650 HE1 HIS 83 HE1 HIS 83 -12.843 17.460 -2.445 651 HE2 HIS 83 HE2 HIS 83 -15.035 18.304 -1.488 652 H ARG 84 HN ARG 84 -18.773 12.470 -3.981 653 HA ARG 84 HA ARG 84 -19.040 12.248 -6.947 654 HB2 ARG 84 HB2 ARG 84 -18.582 9.826 -5.248 655 HB3 ARG 84 HB1 ARG 84 -18.283 10.038 -6.967 656 HG2 ARG 84 HG2 ARG 84 -16.721 11.473 -4.783 657 HG3 ARG 84 HG1 ARG 84 -16.189 9.997 -5.572 658 HD2 ARG 84 HD2 ARG 84 -16.882 11.734 -7.678 659 HD3 ARG 84 HD1 ARG 84 -16.000 12.724 -6.521 660 HE ARG 84 HE ARG 84 -14.469 10.421 -6.748 661 HH11 ARG 84 HH21 ARG 84 -15.807 12.786 -8.872 662 HH12 ARG 84 HH22 ARG 84 -14.524 12.664 -10.030 663 HH21 ARG 84 HH11 ARG 84 -12.785 10.254 -8.247 664 HH22 ARG 84 HH12 ARG 84 -12.815 11.231 -9.677 665 H HIS 85 HN HIS 85 -20.469 11.371 -3.846 666 HA HIS 85 HA HIS 85 -22.784 10.196 -5.260 667 HB2 HIS 85 HB2 HIS 85 -22.405 10.516 -2.277 668 HB3 HIS 85 HB1 HIS 85 -23.494 9.409 -3.113 669 HD1 HIS 85 HD1 HIS 85 -22.614 7.094 -3.299 670 HD2 HIS 85 HD2 HIS 85 -19.518 9.885 -3.135 671 HE1 HIS 85 HE1 HIS 85 -20.457 5.771 -3.343 672 H MET 86 HN MET 86 -22.120 12.689 -2.856 673 HA MET 86 HA MET 86 -23.436 14.520 -2.158 674 HB2 MET 86 HB2 MET 86 -22.394 14.845 -4.640 675 HB3 MET 86 HB1 MET 86 -24.107 15.071 -4.990 676 HG2 MET 86 HG2 MET 86 -22.534 16.554 -2.859 677 HG3 MET 86 HG1 MET 86 -23.031 17.219 -4.414 678 HE1 MET 86 HE1 MET 86 -24.262 19.276 -2.884 679 HE2 MET 86 HE2 MET 86 -23.433 18.354 -1.633 680 HE3 MET 86 HE3 MET 86 -25.122 18.805 -1.411 681 H ARG 87 HN ARG 87 -24.922 12.029 -2.303 682 HA ARG 87 HA ARG 87 -27.598 13.074 -2.164 683 HB2 ARG 87 HB2 ARG 87 -27.796 13.088 -4.490 684 HB3 ARG 87 HB1 ARG 87 -26.737 11.693 -4.689 685 HG2 ARG 87 HG2 ARG 87 -28.417 10.168 -4.052 686 HG3 ARG 87 HG1 ARG 87 -29.386 11.423 -3.276 687 HD2 ARG 87 HD2 ARG 87 -30.352 12.070 -5.238 688 HD3 ARG 87 HD1 ARG 87 -28.866 11.840 -6.160 689 HE ARG 87 HE ARG 87 -29.599 9.660 -6.677 690 HH11 ARG 87 HH21 ARG 87 -31.270 10.980 -3.966 691 HH12 ARG 87 HH22 ARG 87 -32.387 9.662 -3.844 692 HH21 ARG 87 HH11 ARG 87 -31.050 7.931 -6.534 693 HH22 ARG 87 HH12 ARG 87 -32.263 7.937 -5.298 694 H ALA 88 HN ALA 88 -28.233 11.879 -0.433 695 HA ALA 88 HA ALA 88 -27.154 9.451 0.447 696 HB1 ALA 88 HB1 ALA 88 -30.070 10.220 0.746 697 HB2 ALA 88 HB2 ALA 88 -28.775 10.934 1.706 698 HB3 ALA 88 HB3 ALA 88 -29.115 9.208 1.830 699 H GLY 89 HN GLY 89 -27.953 7.244 0.283 700 HA2 GLY 89 HA2 GLY 89 -30.023 6.199 -1.189 701 HA3 GLY 89 HA1 GLY 89 -28.829 6.586 -2.427 Start of MODEL 7 1 H1 VAL 1 HT1 VAL 1 -18.393 -7.148 6.378 2 H2 VAL 1 HT2 VAL 1 -17.090 -6.946 7.450 3 H3 VAL 1 HT3 VAL 1 -16.882 -7.828 6.013 4 HA VAL 1 HA VAL 1 -17.478 -5.720 4.795 5 HB VAL 1 HB VAL 1 -16.827 -4.628 7.536 6 HG11 VAL 1 HG11 VAL 1 -17.709 -2.525 6.013 7 HG12 VAL 1 HG12 VAL 1 -16.820 -3.470 4.819 8 HG13 VAL 1 HG13 VAL 1 -16.009 -2.909 6.282 9 HG21 VAL 1 HG21 VAL 1 -19.084 -5.155 7.708 10 HG22 VAL 1 HG22 VAL 1 -19.363 -4.974 5.976 11 HG23 VAL 1 HG23 VAL 1 -19.196 -3.545 6.996 12 H HIS 2 HN HIS 2 -15.382 -7.632 6.097 13 HA HIS 2 HA HIS 2 -12.986 -6.114 5.171 14 HB2 HIS 2 HB2 HIS 2 -12.087 -8.186 6.830 15 HB3 HIS 2 HB1 HIS 2 -12.167 -6.476 7.249 16 HD1 HIS 2 HD1 HIS 2 -13.194 -6.350 9.521 17 HD2 HIS 2 HD2 HIS 2 -15.155 -9.121 7.093 18 HE1 HIS 2 HE1 HIS 2 -15.173 -7.203 10.857 19 HE2 HIS 2 HE2 HIS 2 -16.371 -8.891 9.389 20 H PHE 3 HN PHE 3 -14.936 -7.971 3.774 21 HA PHE 3 HA PHE 3 -13.439 -10.417 3.268 22 HB2 PHE 3 HB2 PHE 3 -15.719 -9.169 1.700 23 HB3 PHE 3 HB1 PHE 3 -15.119 -10.817 1.512 24 HD1 PHE 3 HD2 PHE 3 -15.084 -12.295 3.667 25 HD2 PHE 3 HD1 PHE 3 -17.440 -8.730 3.231 26 HE1 PHE 3 HE2 PHE 3 -16.568 -13.053 5.502 27 HE2 PHE 3 HE1 PHE 3 -18.926 -9.488 5.067 28 HZ PHE 3 HZ PHE 3 -18.489 -11.649 6.203 29 H CYS 4 HN CYS 4 -11.523 -10.305 2.164 30 HA CYS 4 HA CYS 4 -10.509 -8.200 0.679 31 HB2 CYS 4 HB2 CYS 4 -9.401 -10.410 1.287 32 HB3 CYS 4 HB1 CYS 4 -10.142 -11.069 -0.167 33 H ASP 5 HN ASP 5 -10.584 -7.551 -1.485 34 HA ASP 5 HA ASP 5 -13.058 -8.221 -2.894 35 HB2 ASP 5 HB2 ASP 5 -12.639 -5.975 -3.192 36 HB3 ASP 5 HB1 ASP 5 -10.889 -6.193 -3.162 37 H LYS 6 HN LYS 6 -9.658 -9.072 -3.090 38 HA LYS 6 HA LYS 6 -10.087 -10.309 -5.752 39 HB2 LYS 6 HB2 LYS 6 -7.849 -9.119 -4.470 40 HB3 LYS 6 HB1 LYS 6 -7.467 -10.821 -4.721 41 HG2 LYS 6 HG2 LYS 6 -8.515 -8.948 -6.863 42 HG3 LYS 6 HG1 LYS 6 -6.828 -9.409 -6.667 43 HD2 LYS 6 HD2 LYS 6 -7.152 -11.361 -7.743 44 HD3 LYS 6 HD1 LYS 6 -8.544 -11.758 -6.738 45 HE2 LYS 6 HE2 LYS 6 -10.019 -10.463 -8.142 46 HE3 LYS 6 HE1 LYS 6 -8.658 -9.794 -9.042 47 HZ1 LYS 6 HZ1 LYS 6 -10.076 -12.078 -9.635 48 HZ2 LYS 6 HZ2 LYS 6 -8.577 -12.626 -9.052 49 HZ3 LYS 6 HZ3 LYS 6 -8.639 -11.550 -10.365 50 H CYS 7 HN CYS 7 -9.128 -11.226 -2.450 51 HA CYS 7 HA CYS 7 -9.162 -14.064 -3.228 52 HB2 CYS 7 HB2 CYS 7 -8.673 -12.845 -0.503 53 HB3 CYS 7 HB1 CYS 7 -8.309 -14.498 -1.003 54 H GLY 8 HN GLY 8 -11.178 -11.785 -1.469 55 HA2 GLY 8 HA2 GLY 8 -13.471 -12.053 -0.937 56 HA3 GLY 8 HA1 GLY 8 -13.386 -13.703 -1.555 57 H LEU 9 HN LEU 9 -10.826 -13.361 0.516 58 HA LEU 9 HA LEU 9 -12.250 -14.839 2.637 59 HB2 LEU 9 HB2 LEU 9 -9.449 -14.456 1.775 60 HB3 LEU 9 HB1 LEU 9 -9.667 -14.526 3.523 61 HG LEU 9 HG LEU 9 -10.819 -16.668 3.337 62 HD11 LEU 9 HD11 LEU 9 -10.858 -15.905 0.473 63 HD12 LEU 9 HD12 LEU 9 -12.025 -16.841 1.405 64 HD13 LEU 9 HD13 LEU 9 -10.555 -17.610 0.805 65 HD21 LEU 9 HD21 LEU 9 -8.799 -17.665 3.320 66 HD22 LEU 9 HD22 LEU 9 -8.110 -16.197 2.627 67 HD23 LEU 9 HD23 LEU 9 -8.699 -17.480 1.569 68 HA PRO 10 HA PRO 10 -12.705 -11.345 5.278 69 HB2 PRO 10 HB2 PRO 10 -12.146 -12.359 7.755 70 HB3 PRO 10 HB1 PRO 10 -13.670 -12.615 6.885 71 HG2 PRO 10 HG2 PRO 10 -11.361 -14.445 7.230 72 HG3 PRO 10 HG1 PRO 10 -13.089 -14.812 7.127 73 HD2 PRO 10 HD2 PRO 10 -11.321 -15.172 5.043 74 HD3 PRO 10 HD1 PRO 10 -13.064 -14.910 4.827 75 H ILE 11 HN ILE 11 -11.082 -9.997 4.700 76 HA ILE 11 HA ILE 11 -8.355 -10.048 5.005 77 HB ILE 11 HB ILE 11 -10.274 -7.728 5.428 78 HG12 ILE 11 HG12 ILE 11 -8.598 -8.493 3.028 79 HG13 ILE 11 HG11 ILE 11 -10.255 -9.039 3.245 80 HG21 ILE 11 HG21 ILE 11 -7.406 -7.432 4.564 81 HG22 ILE 11 HG22 ILE 11 -7.818 -7.376 6.274 82 HG23 ILE 11 HG23 ILE 11 -8.504 -6.201 5.161 83 HD11 ILE 11 HD11 ILE 11 -9.449 -6.631 2.091 84 HD12 ILE 11 HD12 ILE 11 -10.003 -6.175 3.700 85 HD13 ILE 11 HD13 ILE 11 -11.083 -7.039 2.609 86 H LYS 12 HN LYS 12 -7.198 -10.660 6.739 87 HA LYS 12 HA LYS 12 -8.171 -10.192 9.477 88 HB2 LYS 12 HB2 LYS 12 -6.920 -12.283 8.779 89 HB3 LYS 12 HB1 LYS 12 -5.482 -11.279 8.585 90 HG2 LYS 12 HG2 LYS 12 -5.779 -10.535 10.978 91 HG3 LYS 12 HG1 LYS 12 -7.054 -11.745 11.133 92 HD2 LYS 12 HD2 LYS 12 -5.432 -13.225 11.656 93 HD3 LYS 12 HD1 LYS 12 -4.932 -13.136 9.967 94 HE2 LYS 12 HE2 LYS 12 -3.022 -12.672 11.442 95 HE3 LYS 12 HE1 LYS 12 -3.446 -11.231 10.517 96 HZ1 LYS 12 HZ1 LYS 12 -4.975 -11.218 12.844 97 HZ2 LYS 12 HZ2 LYS 12 -3.721 -10.157 12.414 98 HZ3 LYS 12 HZ3 LYS 12 -3.381 -11.563 13.306 99 H VAL 13 HN VAL 13 -5.819 -8.931 7.212 100 HA VAL 13 HA VAL 13 -5.321 -6.639 9.043 101 HB VAL 13 HB VAL 13 -3.159 -7.577 7.216 102 HG11 VAL 13 HG11 VAL 13 -1.735 -6.570 8.925 103 HG12 VAL 13 HG12 VAL 13 -3.125 -6.361 9.992 104 HG13 VAL 13 HG13 VAL 13 -3.017 -5.438 8.492 105 HG21 VAL 13 HG21 VAL 13 -3.954 -8.867 9.824 106 HG22 VAL 13 HG22 VAL 13 -2.287 -8.913 9.252 107 HG23 VAL 13 HG23 VAL 13 -3.570 -9.649 8.292 108 H TYR 14 HN TYR 14 -5.139 -4.640 7.879 109 HA TYR 14 HA TYR 14 -6.370 -4.770 5.215 110 HB2 TYR 14 HB2 TYR 14 -5.763 -2.609 7.183 111 HB3 TYR 14 HB1 TYR 14 -6.079 -2.186 5.505 112 HD1 TYR 14 HD1 TYR 14 -7.689 -5.151 7.084 113 HD2 TYR 14 HD2 TYR 14 -8.131 -1.012 6.014 114 HE1 TYR 14 HE1 TYR 14 -10.122 -5.303 7.481 115 HE2 TYR 14 HE2 TYR 14 -10.570 -1.170 6.413 116 HH TYR 14 HH TYR 14 -12.006 -3.974 7.897 117 H GLY 15 HN GLY 15 -4.959 -5.300 3.639 118 HA2 GLY 15 HA2 GLY 15 -2.225 -4.276 3.585 119 HA3 GLY 15 HA1 GLY 15 -2.999 -5.231 2.313 120 H ARG 16 HN ARG 16 -2.513 -2.042 3.581 121 HA ARG 16 HA ARG 16 -4.317 -0.700 1.730 122 HB2 ARG 16 HB2 ARG 16 -3.497 0.204 3.962 123 HB3 ARG 16 HB1 ARG 16 -1.952 0.520 3.172 124 HG2 ARG 16 HG2 ARG 16 -2.832 2.496 2.537 125 HG3 ARG 16 HG1 ARG 16 -3.814 1.570 1.400 126 HD2 ARG 16 HD2 ARG 16 -5.517 1.266 3.231 127 HD3 ARG 16 HD1 ARG 16 -4.567 2.366 4.224 128 HE ARG 16 HE ARG 16 -5.241 4.173 2.821 129 HH11 ARG 16 HH21 ARG 16 -6.244 1.092 1.623 130 HH12 ARG 16 HH22 ARG 16 -7.425 1.756 0.547 131 HH21 ARG 16 HH11 ARG 16 -6.776 5.044 1.431 132 HH22 ARG 16 HH12 ARG 16 -7.731 3.992 0.443 133 H MET 17 HN MET 17 -3.898 0.074 -0.281 134 HA MET 17 HA MET 17 -1.093 -0.119 -1.293 135 HB2 MET 17 HB2 MET 17 -3.436 -0.499 -3.118 136 HB3 MET 17 HB1 MET 17 -1.797 -1.131 -3.259 137 HG2 MET 17 HG2 MET 17 -2.328 -2.510 -1.154 138 HG3 MET 17 HG1 MET 17 -4.010 -2.076 -1.436 139 HE1 MET 17 HE1 MET 17 -1.166 -4.703 -3.673 140 HE2 MET 17 HE2 MET 17 -0.830 -3.215 -2.803 141 HE3 MET 17 HE3 MET 17 -1.255 -3.153 -4.510 142 H ILE 18 HN ILE 18 -0.355 1.706 -2.255 143 HA ILE 18 HA ILE 18 -2.322 3.855 -2.884 144 HB ILE 18 HB ILE 18 0.023 5.195 -2.632 145 HG12 ILE 18 HG12 ILE 18 0.164 2.955 -0.607 146 HG13 ILE 18 HG11 ILE 18 1.195 3.106 -2.032 147 HG21 ILE 18 HG21 ILE 18 -1.779 4.377 -0.325 148 HG22 ILE 18 HG22 ILE 18 -2.122 5.687 -1.455 149 HG23 ILE 18 HG23 ILE 18 -0.743 5.803 -0.365 150 HD11 ILE 18 HD11 ILE 18 1.539 4.337 0.518 151 HD12 ILE 18 HD12 ILE 18 1.213 5.610 -0.658 152 HD13 ILE 18 HD13 ILE 18 2.558 4.498 -0.913 153 HA PRO 19 HA PRO 19 -1.867 5.965 -3.758 154 HB2 PRO 19 HB2 PRO 19 -2.743 7.216 -5.994 155 HB3 PRO 19 HB1 PRO 19 -1.069 7.364 -5.426 156 HG2 PRO 19 HG2 PRO 19 -2.176 5.734 -7.642 157 HG3 PRO 19 HG1 PRO 19 -0.622 6.573 -7.520 158 HD2 PRO 19 HD2 PRO 19 -0.994 3.836 -7.120 159 HD3 PRO 19 HD1 PRO 19 0.402 4.771 -6.548 160 H CYS 20 HN CYS 20 -2.918 3.272 -5.293 161 HA CYS 20 HA CYS 20 -5.590 3.730 -6.065 162 HB2 CYS 20 HB2 CYS 20 -3.919 1.501 -5.628 163 HB3 CYS 20 HB1 CYS 20 -5.329 1.245 -4.603 164 H LYS 21 HN LYS 21 -4.149 3.409 -2.879 165 HA LYS 21 HA LYS 21 -5.028 3.731 -0.747 166 HB2 LYS 21 HB2 LYS 21 -6.583 5.526 -2.514 167 HB3 LYS 21 HB1 LYS 21 -7.419 5.082 -1.028 168 HG2 LYS 21 HG2 LYS 21 -5.471 5.782 0.300 169 HG3 LYS 21 HG1 LYS 21 -4.603 6.199 -1.178 170 HD2 LYS 21 HD2 LYS 21 -6.918 7.609 -1.523 171 HD3 LYS 21 HD1 LYS 21 -6.744 7.676 0.230 172 HE2 LYS 21 HE2 LYS 21 -5.527 9.554 -0.539 173 HE3 LYS 21 HE1 LYS 21 -4.287 8.336 -0.235 174 HZ1 LYS 21 HZ1 LYS 21 -5.095 7.868 -2.802 175 HZ2 LYS 21 HZ2 LYS 21 -3.668 8.660 -2.329 176 HZ3 LYS 21 HZ3 LYS 21 -5.061 9.560 -2.696 177 H HIS 22 HN HIS 22 -5.637 1.415 -2.389 178 HA HIS 22 HA HIS 22 -8.398 0.727 -1.579 179 HB2 HIS 22 HB2 HIS 22 -6.398 -0.481 -3.459 180 HB3 HIS 22 HB1 HIS 22 -7.709 -1.477 -2.830 181 HD2 HIS 22 HD2 HIS 22 -10.225 0.582 -3.033 182 HE1 HIS 22 HE1 HIS 22 -9.052 1.167 -7.047 183 HE2 HIS 22 HE2 HIS 22 -10.944 1.453 -5.383 184 H VAL 23 HN VAL 23 -8.308 -1.925 -1.021 185 HA VAL 23 HA VAL 23 -6.149 -2.370 0.942 186 HB VAL 23 HB VAL 23 -8.248 -3.162 2.462 187 HG11 VAL 23 HG11 VAL 23 -7.873 -1.035 3.705 188 HG12 VAL 23 HG12 VAL 23 -6.972 -0.416 2.323 189 HG13 VAL 23 HG13 VAL 23 -6.365 -1.808 3.218 190 HG21 VAL 23 HG21 VAL 23 -10.054 -1.630 2.318 191 HG22 VAL 23 HG22 VAL 23 -9.731 -2.070 0.641 192 HG23 VAL 23 HG23 VAL 23 -9.147 -0.531 1.278 193 H PHE 24 HN PHE 24 -5.851 -4.564 1.490 194 HA PHE 24 HA PHE 24 -7.708 -6.615 0.492 195 HB2 PHE 24 HB2 PHE 24 -4.882 -6.570 -0.602 196 HB3 PHE 24 HB1 PHE 24 -6.167 -7.701 -1.016 197 HD1 PHE 24 HD2 PHE 24 -5.026 -4.191 -1.314 198 HD2 PHE 24 HD1 PHE 24 -7.850 -7.146 -2.624 199 HE1 PHE 24 HE2 PHE 24 -5.729 -2.697 -3.159 200 HE2 PHE 24 HE1 PHE 24 -8.553 -5.656 -4.471 201 HZ PHE 24 HZ PHE 24 -7.489 -3.436 -4.752 202 H CYS 25 HN CYS 25 -6.673 -8.884 1.030 203 HA CYS 25 HA CYS 25 -5.771 -8.796 3.749 204 HB2 CYS 25 HB2 CYS 25 -4.802 -11.202 2.538 205 HB3 CYS 25 HB1 CYS 25 -6.179 -11.007 3.617 206 H TYR 26 HN TYR 26 -3.903 -7.920 4.371 207 HA TYR 26 HA TYR 26 -1.787 -7.107 2.779 208 HB2 TYR 26 HB2 TYR 26 -2.051 -6.514 5.170 209 HB3 TYR 26 HB1 TYR 26 -1.555 -8.144 5.613 210 HD1 TYR 26 HD1 TYR 26 -0.285 -5.452 3.263 211 HD2 TYR 26 HD2 TYR 26 0.633 -8.299 6.353 212 HE1 TYR 26 HE1 TYR 26 2.090 -4.772 3.192 213 HE2 TYR 26 HE2 TYR 26 3.010 -7.616 6.272 214 HH TYR 26 HH TYR 26 4.254 -5.384 5.535 215 H ASP 27 HN ASP 27 -2.642 -10.336 3.372 216 HA ASP 27 HA ASP 27 0.053 -11.424 3.053 217 HB2 ASP 27 HB2 ASP 27 -2.696 -12.518 3.357 218 HB3 ASP 27 HB1 ASP 27 -1.551 -13.525 2.471 219 H CYS 28 HN CYS 28 -2.792 -10.923 1.009 220 HA CYS 28 HA CYS 28 -1.427 -12.009 -1.331 221 HB2 CYS 28 HB2 CYS 28 -3.792 -10.267 -1.712 222 HB3 CYS 28 HB1 CYS 28 -3.446 -11.857 -2.393 223 H ALA 29 HN ALA 29 -1.720 -8.969 0.268 224 HA ALA 29 HA ALA 29 -1.092 -7.324 -2.006 225 HB1 ALA 29 HB1 ALA 29 -1.160 -5.548 -0.497 226 HB2 ALA 29 HB2 ALA 29 -0.371 -6.473 0.781 227 HB3 ALA 29 HB3 ALA 29 -2.076 -6.745 0.421 228 H ILE 30 HN ILE 30 0.786 -9.194 0.297 229 HA ILE 30 HA ILE 30 3.290 -7.979 -0.660 230 HB ILE 30 HB ILE 30 4.354 -9.497 0.950 231 HG12 ILE 30 HG12 ILE 30 1.545 -10.390 1.612 232 HG13 ILE 30 HG11 ILE 30 2.667 -11.374 0.675 233 HG21 ILE 30 HG21 ILE 30 3.883 -7.823 2.353 234 HG22 ILE 30 HG22 ILE 30 2.372 -8.634 2.766 235 HG23 ILE 30 HG23 ILE 30 2.413 -7.459 1.451 236 HD11 ILE 30 HD11 ILE 30 2.727 -12.024 3.046 237 HD12 ILE 30 HD12 ILE 30 3.119 -10.365 3.498 238 HD13 ILE 30 HD13 ILE 30 4.269 -11.319 2.560 239 H LEU 31 HN LEU 31 1.310 -10.810 -1.135 240 HA LEU 31 HA LEU 31 3.353 -12.370 -2.469 241 HB2 LEU 31 HB2 LEU 31 0.338 -12.459 -2.660 242 HB3 LEU 31 HB1 LEU 31 1.375 -13.565 -3.544 243 HG LEU 31 HG LEU 31 1.721 -13.241 -0.570 244 HD11 LEU 31 HD11 LEU 31 -0.458 -13.909 -0.364 245 HD12 LEU 31 HD12 LEU 31 0.217 -15.493 -0.741 246 HD13 LEU 31 HD13 LEU 31 -0.531 -14.529 -2.013 247 HD21 LEU 31 HD21 LEU 31 3.035 -15.098 -0.762 248 HD22 LEU 31 HD22 LEU 31 3.102 -14.673 -2.470 249 HD23 LEU 31 HD23 LEU 31 1.939 -15.870 -1.904 250 H HIS 32 HN HIS 32 1.046 -9.898 -3.525 251 HA HIS 32 HA HIS 32 1.763 -10.238 -6.336 252 HB2 HIS 32 HB2 HIS 32 0.037 -8.826 -6.703 253 HB3 HIS 32 HB1 HIS 32 -0.255 -8.864 -4.961 254 HD1 HIS 32 HD1 HIS 32 1.811 -6.923 -7.514 255 HD2 HIS 32 HD2 HIS 32 0.266 -6.490 -3.677 256 HE1 HIS 32 HE1 HIS 32 2.314 -4.539 -6.807 257 HE2 HIS 32 HE2 HIS 32 1.365 -4.259 -4.471 258 H GLU 33 HN GLU 33 2.597 -7.972 -3.716 259 HA GLU 33 HA GLU 33 4.292 -6.266 -5.179 260 HB2 GLU 33 HB2 GLU 33 4.774 -5.395 -3.147 261 HB3 GLU 33 HB1 GLU 33 3.668 -6.594 -2.495 262 HG2 GLU 33 HG2 GLU 33 5.618 -8.182 -2.289 263 HG3 GLU 33 HG1 GLU 33 6.680 -6.853 -2.766 264 H LYS 34 HN LYS 34 4.817 -9.529 -3.990 265 HA LYS 34 HA LYS 34 7.651 -9.506 -4.749 266 HB2 LYS 34 HB2 LYS 34 5.751 -11.551 -3.634 267 HB3 LYS 34 HB1 LYS 34 7.292 -12.066 -4.319 268 HG2 LYS 34 HG2 LYS 34 8.531 -11.049 -2.661 269 HG3 LYS 34 HG1 LYS 34 7.330 -9.785 -2.394 270 HD2 LYS 34 HD2 LYS 34 5.853 -11.375 -1.270 271 HD3 LYS 34 HD1 LYS 34 6.980 -12.690 -1.602 272 HE2 LYS 34 HE2 LYS 34 8.335 -10.474 -0.309 273 HE3 LYS 34 HE1 LYS 34 6.969 -11.028 0.658 274 HZ1 LYS 34 HZ1 LYS 34 8.225 -12.716 1.300 275 HZ2 LYS 34 HZ2 LYS 34 9.469 -12.281 0.226 276 HZ3 LYS 34 HZ3 LYS 34 8.212 -13.302 -0.292 277 H LYS 35 HN LYS 35 4.578 -10.497 -6.147 278 HA LYS 35 HA LYS 35 5.874 -11.973 -8.305 279 HB2 LYS 35 HB2 LYS 35 3.242 -11.807 -7.231 280 HB3 LYS 35 HB1 LYS 35 3.155 -11.393 -8.942 281 HG2 LYS 35 HG2 LYS 35 2.922 -13.805 -8.699 282 HG3 LYS 35 HG1 LYS 35 4.474 -13.453 -9.461 283 HD2 LYS 35 HD2 LYS 35 5.537 -14.533 -7.800 284 HD3 LYS 35 HD1 LYS 35 4.856 -13.401 -6.630 285 HE2 LYS 35 HE2 LYS 35 3.445 -15.876 -7.669 286 HE3 LYS 35 HE1 LYS 35 4.249 -15.753 -6.104 287 HZ1 LYS 35 HZ1 LYS 35 2.550 -13.560 -6.355 288 HZ2 LYS 35 HZ2 LYS 35 2.409 -14.874 -5.287 289 HZ3 LYS 35 HZ3 LYS 35 1.656 -14.928 -6.810 290 H GLY 36 HN GLY 36 3.449 -9.403 -8.628 291 HA2 GLY 36 HA2 GLY 36 4.649 -8.532 -11.141 292 HA3 GLY 36 HA1 GLY 36 3.245 -7.805 -10.362 293 H ASP 37 HN ASP 37 4.392 -7.189 -7.865 294 HA ASP 37 HA ASP 37 5.848 -5.678 -6.786 295 HB2 ASP 37 HB2 ASP 37 7.487 -6.708 -8.654 296 HB3 ASP 37 HB1 ASP 37 7.372 -5.053 -9.254 297 H LYS 38 HN LYS 38 3.611 -5.046 -9.037 298 HA LYS 38 HA LYS 38 3.446 -2.274 -8.376 299 HB2 LYS 38 HB2 LYS 38 3.847 -1.563 -10.842 300 HB3 LYS 38 HB1 LYS 38 5.221 -1.800 -9.767 301 HG2 LYS 38 HG2 LYS 38 5.830 -3.818 -10.751 302 HG3 LYS 38 HG1 LYS 38 4.197 -4.137 -11.337 303 HD2 LYS 38 HD2 LYS 38 5.615 -1.735 -12.411 304 HD3 LYS 38 HD1 LYS 38 6.127 -3.321 -12.989 305 HE2 LYS 38 HE2 LYS 38 4.051 -3.792 -13.946 306 HE3 LYS 38 HE1 LYS 38 3.201 -2.651 -12.904 307 HZ1 LYS 38 HZ1 LYS 38 4.541 -2.201 -15.416 308 HZ2 LYS 38 HZ2 LYS 38 4.924 -1.058 -14.220 309 HZ3 LYS 38 HZ3 LYS 38 3.305 -1.310 -14.670 310 H MET 39 HN MET 39 1.558 -4.416 -8.432 311 HA MET 39 HA MET 39 -0.409 -3.200 -10.267 312 HB2 MET 39 HB2 MET 39 -1.013 -5.236 -11.364 313 HB3 MET 39 HB1 MET 39 0.746 -5.137 -11.462 314 HG2 MET 39 HG2 MET 39 0.692 -6.478 -9.217 315 HG3 MET 39 HG1 MET 39 -0.949 -6.895 -9.709 316 HE1 MET 39 HE1 MET 39 -0.693 -8.962 -12.802 317 HE2 MET 39 HE2 MET 39 -1.303 -7.350 -12.437 318 HE3 MET 39 HE3 MET 39 -1.568 -8.664 -11.294 319 H CYS 40 HN CYS 40 -2.219 -2.861 -9.127 320 HA CYS 40 HA CYS 40 -2.629 -3.856 -6.498 321 HB2 CYS 40 HB2 CYS 40 -3.732 -1.859 -7.922 322 HB3 CYS 40 HB1 CYS 40 -5.010 -3.061 -8.090 323 HA PRO 41 HA PRO 41 -4.173 -7.976 -7.383 324 HB2 PRO 41 HB2 PRO 41 -6.188 -7.592 -5.245 325 HB3 PRO 41 HB1 PRO 41 -4.940 -8.841 -5.406 326 HG2 PRO 41 HG2 PRO 41 -4.777 -6.832 -3.629 327 HG3 PRO 41 HG1 PRO 41 -3.358 -7.582 -4.376 328 HD2 PRO 41 HD2 PRO 41 -4.575 -4.920 -4.909 329 HD3 PRO 41 HD1 PRO 41 -2.889 -5.463 -5.070 330 H GLY 42 HN GLY 42 -6.572 -5.420 -6.771 331 HA2 GLY 42 HA2 GLY 42 -8.464 -6.812 -8.617 332 HA3 GLY 42 HA1 GLY 42 -8.917 -5.586 -7.445 333 H CYS 43 HN CYS 43 -7.084 -3.546 -8.054 334 HA CYS 43 HA CYS 43 -8.237 -2.657 -10.609 335 HB2 CYS 43 HB2 CYS 43 -6.326 -0.963 -9.066 336 HB3 CYS 43 HB1 CYS 43 -7.810 -0.504 -9.904 337 H SER 44 HN SER 44 -5.348 -4.147 -9.616 338 HA SER 44 HA SER 44 -3.248 -4.374 -10.673 339 HB2 SER 44 HB2 SER 44 -5.107 -5.200 -12.383 340 HB3 SER 44 HB1 SER 44 -4.585 -3.782 -13.288 341 HG SER 44 HG SER 44 -2.915 -4.906 -13.856 342 H ASP 45 HN ASP 45 -3.889 -1.740 -9.741 343 HA ASP 45 HA ASP 45 -2.996 0.105 -11.853 344 HB2 ASP 45 HB2 ASP 45 -4.352 0.311 -9.276 345 HB3 ASP 45 HB1 ASP 45 -3.063 1.503 -9.440 346 HA PRO 46 HA PRO 46 1.291 0.195 -10.869 347 HB2 PRO 46 HB2 PRO 46 1.743 2.933 -10.498 348 HB3 PRO 46 HB1 PRO 46 1.724 2.094 -12.057 349 HG2 PRO 46 HG2 PRO 46 -0.398 3.707 -10.753 350 HG3 PRO 46 HG1 PRO 46 0.025 3.561 -12.468 351 HD2 PRO 46 HD2 PRO 46 -2.139 2.313 -11.425 352 HD3 PRO 46 HD1 PRO 46 -1.186 1.593 -12.742 353 H VAL 47 HN VAL 47 0.655 -0.847 -8.750 354 HA VAL 47 HA VAL 47 0.160 0.456 -6.328 355 HB VAL 47 HB VAL 47 2.099 -1.842 -6.614 356 HG11 VAL 47 HG11 VAL 47 2.007 -1.044 -4.368 357 HG12 VAL 47 HG12 VAL 47 0.997 -2.489 -4.438 358 HG13 VAL 47 HG13 VAL 47 0.250 -0.893 -4.429 359 HG21 VAL 47 HG21 VAL 47 0.063 -2.255 -7.941 360 HG22 VAL 47 HG22 VAL 47 -0.926 -1.891 -6.530 361 HG23 VAL 47 HG23 VAL 47 0.127 -3.306 -6.529 362 H GLN 48 HN GLN 48 1.239 2.274 -5.655 363 HA GLN 48 HA GLN 48 4.032 2.750 -6.249 364 HB2 GLN 48 HB2 GLN 48 2.650 4.687 -5.949 365 HB3 GLN 48 HB1 GLN 48 2.068 4.107 -4.388 366 HG2 GLN 48 HG2 GLN 48 3.966 4.763 -3.287 367 HG3 GLN 48 HG1 GLN 48 5.013 4.390 -4.659 368 HE21 GLN 48 HE21 GLN 48 2.783 6.861 -3.364 369 HE22 GLN 48 HE22 GLN 48 3.350 8.122 -4.349 370 H ARG 49 HN ARG 49 2.361 2.310 -3.110 371 HA ARG 49 HA ARG 49 4.526 0.495 -2.278 372 HB2 ARG 49 HB2 ARG 49 5.701 2.041 -1.154 373 HB3 ARG 49 HB1 ARG 49 4.518 3.279 -1.555 374 HG2 ARG 49 HG2 ARG 49 3.160 2.652 0.396 375 HG3 ARG 49 HG1 ARG 49 4.292 1.348 0.779 376 HD2 ARG 49 HD2 ARG 49 5.638 3.915 0.434 377 HD3 ARG 49 HD1 ARG 49 4.434 3.957 1.723 378 HE ARG 49 HE ARG 49 5.807 1.621 2.229 379 HH11 ARG 49 HH21 ARG 49 6.669 4.905 1.625 380 HH12 ARG 49 HH22 ARG 49 8.100 4.847 2.599 381 HH21 ARG 49 HH11 ARG 49 7.671 1.528 3.504 382 HH22 ARG 49 HH12 ARG 49 8.668 2.936 3.662 383 H ILE 50 HN ILE 50 3.743 -1.046 -0.885 384 HA ILE 50 HA ILE 50 0.902 -0.799 -0.121 385 HB ILE 50 HB ILE 50 2.607 -3.180 0.500 386 HG12 ILE 50 HG12 ILE 50 1.480 -2.372 -2.180 387 HG13 ILE 50 HG11 ILE 50 3.156 -2.737 -1.788 388 HG21 ILE 50 HG21 ILE 50 0.590 -4.343 0.507 389 HG22 ILE 50 HG22 ILE 50 -0.194 -3.179 -0.557 390 HG23 ILE 50 HG23 ILE 50 0.098 -2.771 1.132 391 HD11 ILE 50 HD11 ILE 50 2.323 -5.074 -1.115 392 HD12 ILE 50 HD12 ILE 50 2.333 -4.708 -2.840 393 HD13 ILE 50 HD13 ILE 50 0.820 -4.649 -1.937 394 H GLU 51 HN GLU 51 0.206 -0.862 1.976 395 HA GLU 51 HA GLU 51 2.229 -0.971 4.142 396 HB2 GLU 51 HB2 GLU 51 0.148 1.218 3.938 397 HB3 GLU 51 HB1 GLU 51 1.405 1.058 5.169 398 HG2 GLU 51 HG2 GLU 51 3.115 1.182 3.348 399 HG3 GLU 51 HG1 GLU 51 1.812 1.528 2.211 400 H GLN 52 HN GLN 52 1.401 -1.717 6.098 401 HA GLN 52 HA GLN 52 -1.198 -3.094 5.859 402 HB2 GLN 52 HB2 GLN 52 -0.462 -4.540 7.506 403 HB3 GLN 52 HB1 GLN 52 1.088 -4.033 6.838 404 HG2 GLN 52 HG2 GLN 52 1.018 -2.145 8.603 405 HG3 GLN 52 HG1 GLN 52 -0.254 -3.095 9.375 406 HE21 GLN 52 HE21 GLN 52 0.335 -5.336 10.069 407 HE22 GLN 52 HE22 GLN 52 1.957 -5.709 10.406 408 H CYS 53 HN CYS 53 -2.892 -2.809 7.412 409 HA CYS 53 HA CYS 53 -2.625 -0.599 9.346 410 HB2 CYS 53 HB2 CYS 53 -3.763 -0.210 6.766 411 HB3 CYS 53 HB1 CYS 53 -5.082 -0.178 7.936 412 H THR 54 HN THR 54 -4.716 -0.421 10.659 413 HA THR 54 HA THR 54 -5.672 -3.154 11.222 414 HB THR 54 HB THR 54 -6.860 -1.087 12.871 415 HG1 THR 54 HG1 THR 54 -4.157 -1.140 13.338 416 HG21 THR 54 HG21 THR 54 -5.912 -2.422 14.650 417 HG22 THR 54 HG22 THR 54 -4.788 -3.194 13.530 418 HG23 THR 54 HG23 THR 54 -6.518 -3.518 13.409 419 H ARG 55 HN ARG 55 -8.071 -3.420 11.644 420 HA ARG 55 HA ARG 55 -9.583 -2.704 9.349 421 HB2 ARG 55 HB2 ARG 55 -11.547 -3.512 10.624 422 HB3 ARG 55 HB1 ARG 55 -10.180 -4.615 10.786 423 HG2 ARG 55 HG2 ARG 55 -9.596 -3.257 12.914 424 HG3 ARG 55 HG1 ARG 55 -11.244 -2.638 12.801 425 HD2 ARG 55 HD2 ARG 55 -12.053 -5.023 12.727 426 HD3 ARG 55 HD1 ARG 55 -10.398 -5.536 13.060 427 HE ARG 55 HE ARG 55 -11.061 -3.663 15.056 428 HH11 ARG 55 HH21 ARG 55 -12.127 -6.719 13.862 429 HH12 ARG 55 HH22 ARG 55 -12.706 -7.266 15.400 430 HH21 ARG 55 HH11 ARG 55 -11.811 -4.362 17.069 431 HH22 ARG 55 HH12 ARG 55 -12.527 -5.932 17.216 432 H GLY 56 HN GLY 56 -9.572 -1.285 12.619 433 HA2 GLY 56 HA2 GLY 56 -11.451 0.806 11.764 434 HA3 GLY 56 HA1 GLY 56 -10.723 0.658 13.364 435 H SER 57 HN SER 57 -8.545 0.444 10.678 436 HA SER 57 HA SER 57 -7.303 2.964 11.543 437 HB2 SER 57 HB2 SER 57 -6.490 1.032 9.354 438 HB3 SER 57 HB1 SER 57 -5.515 2.367 9.961 439 HG SER 57 HG SER 57 -5.799 1.294 12.077 440 H LEU 58 HN LEU 58 -9.416 1.839 9.071 441 HA LEU 58 HA LEU 58 -9.319 4.530 7.805 442 HB2 LEU 58 HB2 LEU 58 -10.029 2.264 6.031 443 HB3 LEU 58 HB1 LEU 58 -9.105 3.721 5.685 444 HG LEU 58 HG LEU 58 -8.035 1.355 7.264 445 HD11 LEU 58 HD11 LEU 58 -7.362 2.219 4.438 446 HD12 LEU 58 HD12 LEU 58 -8.514 0.937 4.806 447 HD13 LEU 58 HD13 LEU 58 -6.820 0.762 5.270 448 HD21 LEU 58 HD21 LEU 58 -6.085 3.097 6.038 449 HD22 LEU 58 HD22 LEU 58 -6.284 2.707 7.744 450 HD23 LEU 58 HD23 LEU 58 -7.172 4.055 7.039 451 H PHE 59 HN PHE 59 -11.416 4.792 6.382 452 HA PHE 59 HA PHE 59 -13.699 3.661 7.961 453 HB2 PHE 59 HB2 PHE 59 -13.711 6.296 6.491 454 HB3 PHE 59 HB1 PHE 59 -14.868 5.716 7.690 455 HD1 PHE 59 HD1 PHE 59 -11.242 6.555 7.271 456 HD2 PHE 59 HD2 PHE 59 -14.578 6.231 9.959 457 HE1 PHE 59 HE1 PHE 59 -9.879 7.558 9.084 458 HE2 PHE 59 HE2 PHE 59 -13.215 7.235 11.770 459 HZ PHE 59 HZ PHE 59 -10.866 7.900 11.333 460 H MET 60 HN MET 60 -14.640 2.112 6.732 461 HA MET 60 HA MET 60 -14.560 2.116 3.833 462 HB2 MET 60 HB2 MET 60 -16.212 0.494 5.789 463 HB3 MET 60 HB1 MET 60 -16.140 0.193 4.053 464 HG2 MET 60 HG2 MET 60 -13.520 0.420 5.415 465 HG3 MET 60 HG1 MET 60 -14.480 -0.995 5.845 466 HE1 MET 60 HE1 MET 60 -11.978 -1.934 4.696 467 HE2 MET 60 HE2 MET 60 -12.551 -3.025 3.436 468 HE3 MET 60 HE3 MET 60 -13.438 -2.901 4.954 469 H CYS 61 HN CYS 61 -16.226 2.626 2.382 470 HA CYS 61 HA CYS 61 -18.342 4.406 3.477 471 HB2 CYS 61 HB2 CYS 61 -16.958 5.218 1.567 472 HB3 CYS 61 HB1 CYS 61 -17.568 3.884 0.592 473 H SER 62 HN SER 62 -20.541 3.964 3.197 474 HA SER 62 HA SER 62 -21.210 1.153 2.643 475 HB2 SER 62 HB2 SER 62 -22.663 1.736 4.292 476 HB3 SER 62 HB1 SER 62 -22.494 3.456 3.952 477 HG SER 62 HG SER 62 -24.595 2.646 3.472 478 H ILE 63 HN ILE 63 -21.128 4.145 0.961 479 HA ILE 63 HA ILE 63 -23.064 3.234 -1.091 480 HB ILE 63 HB ILE 63 -21.440 5.795 -0.980 481 HG12 ILE 63 HG12 ILE 63 -24.289 5.254 -0.076 482 HG13 ILE 63 HG11 ILE 63 -22.919 5.530 0.999 483 HG21 ILE 63 HG21 ILE 63 -23.101 6.613 -2.580 484 HG22 ILE 63 HG22 ILE 63 -23.967 5.078 -2.500 485 HG23 ILE 63 HG23 ILE 63 -22.354 5.145 -3.208 486 HD11 ILE 63 HD11 ILE 63 -22.580 7.761 -0.072 487 HD12 ILE 63 HD12 ILE 63 -24.145 7.617 0.727 488 HD13 ILE 63 HD13 ILE 63 -24.037 7.488 -1.028 489 H VAL 64 HN VAL 64 -21.903 1.515 -2.072 490 HA VAL 64 HA VAL 64 -19.153 1.768 -2.913 491 HB VAL 64 HB VAL 64 -19.521 -0.314 -4.098 492 HG11 VAL 64 HG11 VAL 64 -19.663 -0.120 -1.477 493 HG12 VAL 64 HG12 VAL 64 -20.061 -1.649 -2.261 494 HG13 VAL 64 HG13 VAL 64 -21.350 -0.569 -1.728 495 HG21 VAL 64 HG21 VAL 64 -21.479 -0.318 -5.278 496 HG22 VAL 64 HG22 VAL 64 -22.313 0.677 -4.085 497 HG23 VAL 64 HG23 VAL 64 -22.131 -1.056 -3.814 498 H GLN 65 HN GLN 65 -19.133 0.979 -5.574 499 HA GLN 65 HA GLN 65 -19.372 1.784 -7.771 500 HB2 GLN 65 HB2 GLN 65 -21.880 2.098 -6.716 501 HB3 GLN 65 HB1 GLN 65 -21.469 3.762 -7.134 502 HG2 GLN 65 HG2 GLN 65 -20.821 2.971 -9.421 503 HG3 GLN 65 HG1 GLN 65 -21.409 1.366 -8.987 504 HE21 GLN 65 HE21 GLN 65 -22.371 4.420 -10.226 505 HE22 GLN 65 HE22 GLN 65 -24.048 4.184 -10.136 506 H GLY 66 HN GLY 66 -17.536 2.980 -8.105 507 HA2 GLY 66 HA2 GLY 66 -16.076 4.822 -8.086 508 HA3 GLY 66 HA1 GLY 66 -17.550 5.770 -8.290 509 H CYS 67 HN CYS 67 -15.903 3.972 -5.664 510 HA CYS 67 HA CYS 67 -16.078 6.395 -3.975 511 HB2 CYS 67 HB2 CYS 67 -18.175 4.944 -3.647 512 HB3 CYS 67 HB1 CYS 67 -17.098 3.751 -2.921 513 H LYS 68 HN LYS 68 -14.056 6.619 -3.164 514 HA LYS 68 HA LYS 68 -11.975 4.750 -3.326 515 HB2 LYS 68 HB2 LYS 68 -12.390 7.301 -2.131 516 HB3 LYS 68 HB1 LYS 68 -11.608 6.271 -0.931 517 HG2 LYS 68 HG2 LYS 68 -9.835 5.711 -2.511 518 HG3 LYS 68 HG1 LYS 68 -10.642 6.623 -3.785 519 HD2 LYS 68 HD2 LYS 68 -10.482 8.629 -2.120 520 HD3 LYS 68 HD1 LYS 68 -9.248 7.655 -1.324 521 HE2 LYS 68 HE2 LYS 68 -8.086 7.444 -3.549 522 HE3 LYS 68 HE1 LYS 68 -9.251 8.594 -4.205 523 HZ1 LYS 68 HZ1 LYS 68 -6.987 9.407 -3.239 524 HZ2 LYS 68 HZ2 LYS 68 -7.801 9.291 -1.752 525 HZ3 LYS 68 HZ3 LYS 68 -8.402 10.304 -2.977 526 H ARG 69 HN ARG 69 -14.733 4.602 -1.374 527 HA ARG 69 HA ARG 69 -15.407 3.078 0.251 528 HB2 ARG 69 HB2 ARG 69 -13.483 1.709 -1.347 529 HB3 ARG 69 HB1 ARG 69 -13.217 1.255 0.336 530 HG2 ARG 69 HG2 ARG 69 -15.653 0.772 0.553 531 HG3 ARG 69 HG1 ARG 69 -15.845 1.125 -1.165 532 HD2 ARG 69 HD2 ARG 69 -15.614 -1.300 -0.802 533 HD3 ARG 69 HD1 ARG 69 -14.239 -0.674 -1.712 534 HE ARG 69 HE ARG 69 -13.775 -0.737 1.171 535 HH11 ARG 69 HH21 ARG 69 -13.732 -2.456 -1.817 536 HH12 ARG 69 HH22 ARG 69 -12.520 -3.582 -1.305 537 HH21 ARG 69 HH11 ARG 69 -12.191 -2.196 1.857 538 HH22 ARG 69 HH12 ARG 69 -11.648 -3.435 0.775 539 H THR 70 HN THR 70 -11.881 2.781 0.730 540 HA THR 70 HA THR 70 -12.332 3.446 3.576 541 HB THR 70 HB THR 70 -9.857 2.817 3.732 542 HG1 THR 70 HG1 THR 70 -10.423 1.639 1.228 543 HG21 THR 70 HG21 THR 70 -10.436 0.364 3.523 544 HG22 THR 70 HG22 THR 70 -11.997 0.864 2.873 545 HG23 THR 70 HG23 THR 70 -11.544 1.306 4.519 546 H TYR 71 HN TYR 71 -10.920 4.971 4.683 547 HA TYR 71 HA TYR 71 -9.436 6.909 3.049 548 HB2 TYR 71 HB2 TYR 71 -11.780 7.763 4.766 549 HB3 TYR 71 HB1 TYR 71 -10.692 8.841 3.896 550 HD1 TYR 71 HD1 TYR 71 -13.310 6.245 3.501 551 HD2 TYR 71 HD2 TYR 71 -10.880 9.181 1.528 552 HE1 TYR 71 HE1 TYR 71 -14.689 6.010 1.455 553 HE2 TYR 71 HE2 TYR 71 -12.258 8.950 -0.516 554 HH TYR 71 HH TYR 71 -15.252 7.341 -0.542 555 H LEU 72 HN LEU 72 -8.522 8.639 4.649 556 HA LEU 72 HA LEU 72 -7.546 7.154 7.022 557 HB2 LEU 72 HB2 LEU 72 -6.279 9.731 6.482 558 HB3 LEU 72 HB1 LEU 72 -5.548 8.137 6.659 559 HG LEU 72 HG LEU 72 -6.895 9.214 4.162 560 HD11 LEU 72 HD11 LEU 72 -4.756 10.220 4.331 561 HD12 LEU 72 HD12 LEU 72 -4.503 8.824 3.283 562 HD13 LEU 72 HD13 LEU 72 -4.025 8.752 4.979 563 HD21 LEU 72 HD21 LEU 72 -6.308 6.508 5.060 564 HD22 LEU 72 HD22 LEU 72 -5.401 6.893 3.598 565 HD23 LEU 72 HD23 LEU 72 -7.159 7.034 3.606 566 H SER 73 HN SER 73 -9.747 9.639 6.257 567 HA SER 73 HA SER 73 -10.136 10.179 9.104 568 HB2 SER 73 HB2 SER 73 -8.215 11.688 8.415 569 HB3 SER 73 HB1 SER 73 -9.348 12.517 7.352 570 HG SER 73 HG SER 73 -10.388 13.303 9.053 571 H GLN 74 HN GLN 74 -12.203 10.850 9.502 572 HA GLN 74 HA GLN 74 -14.298 10.522 7.743 573 HB2 GLN 74 HB2 GLN 74 -14.119 11.360 10.323 574 HB3 GLN 74 HB1 GLN 74 -14.642 12.850 9.533 575 HG2 GLN 74 HG2 GLN 74 -16.666 11.749 10.068 576 HG3 GLN 74 HG1 GLN 74 -16.415 11.377 8.362 577 HE21 GLN 74 HE21 GLN 74 -15.532 9.190 7.842 578 HE22 GLN 74 HE22 GLN 74 -15.741 7.914 8.942 579 H ARG 75 HN ARG 75 -12.200 13.325 8.010 580 HA ARG 75 HA ARG 75 -13.768 15.134 6.437 581 HB2 ARG 75 HB2 ARG 75 -11.806 15.735 7.904 582 HB3 ARG 75 HB1 ARG 75 -10.750 15.043 6.673 583 HG2 ARG 75 HG2 ARG 75 -12.411 16.711 5.209 584 HG3 ARG 75 HG1 ARG 75 -12.137 17.616 6.694 585 HD2 ARG 75 HD2 ARG 75 -9.654 17.098 6.392 586 HD3 ARG 75 HD1 ARG 75 -10.067 16.550 4.767 587 HE ARG 75 HE ARG 75 -9.950 19.319 5.651 588 HH11 ARG 75 HH21 ARG 75 -11.420 17.032 3.532 589 HH12 ARG 75 HH22 ARG 75 -11.829 18.210 2.329 590 HH21 ARG 75 HH11 ARG 75 -10.474 20.869 4.093 591 HH22 ARG 75 HH12 ARG 75 -11.293 20.383 2.647 592 H ASP 76 HN ASP 76 -11.474 12.621 5.576 593 HA ASP 76 HA ASP 76 -11.428 13.441 2.755 594 HB2 ASP 76 HB2 ASP 76 -10.216 11.130 4.288 595 HB3 ASP 76 HB1 ASP 76 -10.134 11.232 2.529 596 H LEU 77 HN LEU 77 -12.942 11.076 4.830 597 HA LEU 77 HA LEU 77 -14.155 9.592 2.656 598 HB2 LEU 77 HB2 LEU 77 -13.997 8.277 4.567 599 HB3 LEU 77 HB1 LEU 77 -14.367 9.602 5.645 600 HG LEU 77 HG LEU 77 -16.452 8.602 3.712 601 HD11 LEU 77 HD11 LEU 77 -17.230 7.006 5.414 602 HD12 LEU 77 HD12 LEU 77 -15.843 7.409 6.425 603 HD13 LEU 77 HD13 LEU 77 -15.599 6.608 4.872 604 HD21 LEU 77 HD21 LEU 77 -17.390 9.216 6.364 605 HD22 LEU 77 HD22 LEU 77 -17.775 10.030 4.851 606 HD23 LEU 77 HD23 LEU 77 -16.388 10.549 5.799 607 H GLN 78 HN GLN 78 -14.995 12.264 4.771 608 HA GLN 78 HA GLN 78 -17.742 12.367 3.840 609 HB2 GLN 78 HB2 GLN 78 -16.919 13.396 6.016 610 HB3 GLN 78 HB1 GLN 78 -16.132 14.638 5.041 611 HG2 GLN 78 HG2 GLN 78 -18.252 15.548 5.661 612 HG3 GLN 78 HG1 GLN 78 -18.413 15.057 3.974 613 HE21 GLN 78 HE21 GLN 78 -20.174 13.722 3.523 614 HE22 GLN 78 HE22 GLN 78 -21.022 12.810 4.676 615 H ALA 79 HN ALA 79 -14.667 13.712 2.959 616 HA ALA 79 HA ALA 79 -15.725 15.516 0.951 617 HB1 ALA 79 HB1 ALA 79 -12.961 14.269 1.182 618 HB2 ALA 79 HB2 ALA 79 -13.448 15.786 1.938 619 HB3 ALA 79 HB3 ALA 79 -13.390 15.656 0.180 620 H HIS 80 HN HIS 80 -15.189 12.094 1.208 621 HA HIS 80 HA HIS 80 -14.991 11.732 -1.681 622 HB2 HIS 80 HB2 HIS 80 -14.517 9.585 -1.214 623 HB3 HIS 80 HB1 HIS 80 -14.356 10.157 0.437 624 HD1 HIS 80 HD1 HIS 80 -15.665 8.812 2.058 625 HD2 HIS 80 HD2 HIS 80 -17.473 8.839 -1.689 626 HE1 HIS 80 HE1 HIS 80 -17.697 7.314 2.233 627 H ILE 81 HN ILE 81 -17.529 11.503 0.750 628 HA ILE 81 HA ILE 81 -19.617 10.530 -0.867 629 HB ILE 81 HB ILE 81 -20.146 12.775 1.069 630 HG12 ILE 81 HG12 ILE 81 -18.519 11.085 2.058 631 HG13 ILE 81 HG11 ILE 81 -19.979 11.398 2.969 632 HG21 ILE 81 HG21 ILE 81 -22.126 11.268 1.589 633 HG22 ILE 81 HG22 ILE 81 -21.634 10.285 0.212 634 HG23 ILE 81 HG23 ILE 81 -22.094 11.968 -0.026 635 HD11 ILE 81 HD11 ILE 81 -20.980 9.361 2.289 636 HD12 ILE 81 HD12 ILE 81 -19.316 8.934 2.676 637 HD13 ILE 81 HD13 ILE 81 -19.809 9.124 0.994 638 H ASN 82 HN ASN 82 -18.755 13.895 -0.132 639 HA ASN 82 HA ASN 82 -20.603 15.002 -2.030 640 HB2 ASN 82 HB2 ASN 82 -18.084 16.423 -1.221 641 HB3 ASN 82 HB1 ASN 82 -19.708 17.077 -1.444 642 HD21 ASN 82 HD21 ASN 82 -17.736 16.961 0.987 643 HD22 ASN 82 HD22 ASN 82 -18.722 16.409 2.254 644 H HIS 83 HN HIS 83 -17.347 13.744 -2.300 645 HA HIS 83 HA HIS 83 -17.043 15.004 -4.939 646 HB2 HIS 83 HB2 HIS 83 -15.215 13.190 -3.384 647 HB3 HIS 83 HB1 HIS 83 -14.833 13.829 -4.975 648 HD1 HIS 83 HD1 HIS 83 -12.833 14.884 -3.273 649 HD2 HIS 83 HD2 HIS 83 -16.639 16.586 -3.155 650 HE1 HIS 83 HE1 HIS 83 -12.559 17.186 -2.248 651 HE2 HIS 83 HE2 HIS 83 -14.868 18.230 -2.172 652 H ARG 84 HN ARG 84 -18.372 12.092 -3.756 653 HA ARG 84 HA ARG 84 -17.889 10.746 -6.362 654 HB2 ARG 84 HB2 ARG 84 -18.576 9.610 -3.663 655 HB3 ARG 84 HB1 ARG 84 -18.428 8.648 -5.133 656 HG2 ARG 84 HG2 ARG 84 -16.227 10.444 -4.064 657 HG3 ARG 84 HG1 ARG 84 -16.325 8.719 -3.723 658 HD2 ARG 84 HD2 ARG 84 -16.587 8.817 -6.485 659 HD3 ARG 84 HD1 ARG 84 -15.426 10.099 -6.148 660 HE ARG 84 HE ARG 84 -14.553 7.916 -4.641 661 HH11 ARG 84 HH21 ARG 84 -15.269 8.648 -7.932 662 HH12 ARG 84 HH22 ARG 84 -14.101 7.541 -8.572 663 HH21 ARG 84 HH11 ARG 84 -13.023 6.465 -5.457 664 HH22 ARG 84 HH12 ARG 84 -12.829 6.305 -7.170 665 H HIS 85 HN HIS 85 -20.506 10.959 -3.942 666 HA HIS 85 HA HIS 85 -22.429 10.903 -6.219 667 HB2 HIS 85 HB2 HIS 85 -23.771 9.583 -4.203 668 HB3 HIS 85 HB1 HIS 85 -22.983 8.801 -5.574 669 HD1 HIS 85 HD1 HIS 85 -21.560 6.926 -4.773 670 HD2 HIS 85 HD2 HIS 85 -21.470 10.141 -2.123 671 HE1 HIS 85 HE1 HIS 85 -19.971 6.273 -2.913 672 H MET 86 HN MET 86 -21.607 11.932 -3.017 673 HA MET 86 HA MET 86 -22.517 13.603 -1.645 674 HB2 MET 86 HB2 MET 86 -22.161 14.822 -3.885 675 HB3 MET 86 HB1 MET 86 -23.895 14.619 -4.132 676 HG2 MET 86 HG2 MET 86 -23.792 15.562 -1.549 677 HG3 MET 86 HG1 MET 86 -22.464 16.434 -2.315 678 HE1 MET 86 HE1 MET 86 -23.976 18.955 -2.045 679 HE2 MET 86 HE2 MET 86 -24.616 17.689 -1.003 680 HE3 MET 86 HE3 MET 86 -25.717 18.650 -1.985 681 H ARG 87 HN ARG 87 -23.907 11.279 -1.440 682 HA ARG 87 HA ARG 87 -26.597 11.120 -2.114 683 HB2 ARG 87 HB2 ARG 87 -26.927 9.829 -0.057 684 HB3 ARG 87 HB1 ARG 87 -25.374 9.412 -0.782 685 HG2 ARG 87 HG2 ARG 87 -24.446 9.890 1.220 686 HG3 ARG 87 HG1 ARG 87 -24.784 11.583 0.867 687 HD2 ARG 87 HD2 ARG 87 -25.779 11.137 2.999 688 HD3 ARG 87 HD1 ARG 87 -27.107 11.195 1.840 689 HE ARG 87 HE ARG 87 -26.109 8.497 2.163 690 HH11 ARG 87 HH21 ARG 87 -28.036 10.996 3.553 691 HH12 ARG 87 HH22 ARG 87 -29.059 9.904 4.424 692 HH21 ARG 87 HH11 ARG 87 -27.433 7.058 3.292 693 HH22 ARG 87 HH12 ARG 87 -28.718 7.674 4.276 694 H ALA 88 HN ALA 88 -25.084 13.439 -0.032 695 HA ALA 88 HA ALA 88 -27.127 14.253 1.679 696 HB1 ALA 88 HB1 ALA 88 -25.605 15.859 2.084 697 HB2 ALA 88 HB2 ALA 88 -26.008 16.620 0.545 698 HB3 ALA 88 HB3 ALA 88 -24.732 15.406 0.621 699 H GLY 89 HN GLY 89 -29.209 14.794 1.273 700 HA2 GLY 89 HA2 GLY 89 -29.999 15.549 -1.472 701 HA3 GLY 89 HA1 GLY 89 -31.100 15.170 -0.146 Start of MODEL 8 1 H1 VAL 1 HT1 VAL 1 -16.672 -5.187 5.723 2 H2 VAL 1 HT2 VAL 1 -16.182 -5.141 7.349 3 H3 VAL 1 HT3 VAL 1 -17.745 -5.669 6.944 4 HA VAL 1 HA VAL 1 -16.377 -7.561 7.481 5 HB VAL 1 HB VAL 1 -16.600 -8.773 5.296 6 HG11 VAL 1 HG11 VAL 1 -18.609 -8.881 6.424 7 HG12 VAL 1 HG12 VAL 1 -19.131 -7.948 5.021 8 HG13 VAL 1 HG13 VAL 1 -18.760 -7.128 6.538 9 HG21 VAL 1 HG21 VAL 1 -17.522 -7.525 3.377 10 HG22 VAL 1 HG22 VAL 1 -15.948 -6.877 3.842 11 HG23 VAL 1 HG23 VAL 1 -17.423 -6.026 4.301 12 H HIS 2 HN HIS 2 -14.421 -8.741 7.123 13 HA HIS 2 HA HIS 2 -12.224 -7.102 5.994 14 HB2 HIS 2 HB2 HIS 2 -11.049 -9.266 7.226 15 HB3 HIS 2 HB1 HIS 2 -11.367 -7.722 8.013 16 HD1 HIS 2 HD1 HIS 2 -12.419 -8.146 10.229 17 HD2 HIS 2 HD2 HIS 2 -13.811 -10.815 7.341 18 HE1 HIS 2 HE1 HIS 2 -14.155 -9.599 11.371 19 HE2 HIS 2 HE2 HIS 2 -15.007 -11.227 9.622 20 H PHE 3 HN PHE 3 -14.214 -8.841 4.463 21 HA PHE 3 HA PHE 3 -12.691 -11.120 3.507 22 HB2 PHE 3 HB2 PHE 3 -15.309 -9.901 2.983 23 HB3 PHE 3 HB1 PHE 3 -14.551 -10.570 1.539 24 HD1 PHE 3 HD1 PHE 3 -14.449 -11.624 5.135 25 HD2 PHE 3 HD2 PHE 3 -15.505 -12.665 1.103 26 HE1 PHE 3 HE1 PHE 3 -15.048 -13.912 5.883 27 HE2 PHE 3 HE2 PHE 3 -16.103 -14.953 1.850 28 HZ PHE 3 HZ PHE 3 -15.875 -15.576 4.240 29 H CYS 4 HN CYS 4 -10.880 -10.866 2.291 30 HA CYS 4 HA CYS 4 -9.898 -8.582 1.080 31 HB2 CYS 4 HB2 CYS 4 -8.605 -10.646 1.220 32 HB3 CYS 4 HB1 CYS 4 -9.680 -11.421 0.058 33 H ASP 5 HN ASP 5 -10.078 -7.611 -0.962 34 HA ASP 5 HA ASP 5 -12.666 -7.859 -2.236 35 HB2 ASP 5 HB2 ASP 5 -10.452 -6.022 -2.274 36 HB3 ASP 5 HB1 ASP 5 -10.883 -6.445 -3.932 37 H LYS 6 HN LYS 6 -9.369 -8.964 -3.002 38 HA LYS 6 HA LYS 6 -10.436 -10.237 -5.474 39 HB2 LYS 6 HB2 LYS 6 -8.021 -8.889 -4.918 40 HB3 LYS 6 HB1 LYS 6 -7.598 -10.589 -5.120 41 HG2 LYS 6 HG2 LYS 6 -9.317 -9.041 -7.087 42 HG3 LYS 6 HG1 LYS 6 -7.580 -9.264 -7.266 43 HD2 LYS 6 HD2 LYS 6 -9.177 -11.726 -6.774 44 HD3 LYS 6 HD1 LYS 6 -9.364 -10.962 -8.351 45 HE2 LYS 6 HE2 LYS 6 -6.933 -11.012 -8.686 46 HE3 LYS 6 HE1 LYS 6 -6.717 -11.732 -7.089 47 HZ1 LYS 6 HZ1 LYS 6 -8.535 -13.045 -8.972 48 HZ2 LYS 6 HZ2 LYS 6 -7.549 -13.722 -7.765 49 HZ3 LYS 6 HZ3 LYS 6 -6.867 -13.205 -9.233 50 H CYS 7 HN CYS 7 -8.273 -11.071 -2.757 51 HA CYS 7 HA CYS 7 -8.325 -13.879 -3.323 52 HB2 CYS 7 HB2 CYS 7 -7.888 -12.763 -0.560 53 HB3 CYS 7 HB1 CYS 7 -7.133 -14.164 -1.316 54 H GLY 8 HN GLY 8 -10.688 -11.825 -1.972 55 HA2 GLY 8 HA2 GLY 8 -12.751 -12.271 -0.948 56 HA3 GLY 8 HA1 GLY 8 -12.664 -13.826 -1.775 57 H LEU 9 HN LEU 9 -9.952 -13.523 0.166 58 HA LEU 9 HA LEU 9 -11.125 -15.375 2.148 59 HB2 LEU 9 HB2 LEU 9 -8.408 -14.676 1.203 60 HB3 LEU 9 HB1 LEU 9 -8.520 -14.992 2.932 61 HG LEU 9 HG LEU 9 -9.677 -17.156 2.415 62 HD11 LEU 9 HD11 LEU 9 -10.541 -16.485 0.181 63 HD12 LEU 9 HD12 LEU 9 -9.617 -17.985 0.102 64 HD13 LEU 9 HD13 LEU 9 -8.889 -16.472 -0.436 65 HD21 LEU 9 HD21 LEU 9 -7.424 -17.518 2.842 66 HD22 LEU 9 HD22 LEU 9 -6.898 -16.507 1.496 67 HD23 LEU 9 HD23 LEU 9 -7.533 -18.125 1.191 68 HA PRO 10 HA PRO 10 -11.668 -12.305 5.244 69 HB2 PRO 10 HB2 PRO 10 -10.850 -13.579 7.526 70 HB3 PRO 10 HB1 PRO 10 -12.415 -13.838 6.734 71 HG2 PRO 10 HG2 PRO 10 -9.963 -15.512 6.666 72 HG3 PRO 10 HG1 PRO 10 -11.666 -15.998 6.642 73 HD2 PRO 10 HD2 PRO 10 -10.067 -15.960 4.401 74 HD3 PRO 10 HD1 PRO 10 -11.834 -15.773 4.350 75 H ILE 11 HN ILE 11 -10.221 -10.741 4.797 76 HA ILE 11 HA ILE 11 -7.457 -10.640 4.945 77 HB ILE 11 HB ILE 11 -9.440 -8.486 5.748 78 HG12 ILE 11 HG12 ILE 11 -8.000 -8.864 3.109 79 HG13 ILE 11 HG11 ILE 11 -9.585 -9.548 3.416 80 HG21 ILE 11 HG21 ILE 11 -7.209 -7.284 4.641 81 HG22 ILE 11 HG22 ILE 11 -6.519 -8.592 5.603 82 HG23 ILE 11 HG23 ILE 11 -7.557 -7.393 6.368 83 HD11 ILE 11 HD11 ILE 11 -9.052 -6.952 2.520 84 HD12 ILE 11 HD12 ILE 11 -9.474 -6.751 4.218 85 HD13 ILE 11 HD13 ILE 11 -10.598 -7.552 3.120 86 H LYS 12 HN LYS 12 -6.066 -11.046 6.571 87 HA LYS 12 HA LYS 12 -7.004 -11.026 9.367 88 HB2 LYS 12 HB2 LYS 12 -4.231 -11.575 8.254 89 HB3 LYS 12 HB1 LYS 12 -4.790 -11.928 9.889 90 HG2 LYS 12 HG2 LYS 12 -6.696 -13.178 8.338 91 HG3 LYS 12 HG1 LYS 12 -5.222 -13.431 7.401 92 HD2 LYS 12 HD2 LYS 12 -5.633 -14.123 10.324 93 HD3 LYS 12 HD1 LYS 12 -5.486 -15.265 8.988 94 HE2 LYS 12 HE2 LYS 12 -3.226 -13.704 8.693 95 HE3 LYS 12 HE1 LYS 12 -3.388 -13.820 10.445 96 HZ1 LYS 12 HZ1 LYS 12 -3.502 -16.207 10.267 97 HZ2 LYS 12 HZ2 LYS 12 -2.088 -15.649 9.507 98 HZ3 LYS 12 HZ3 LYS 12 -3.426 -16.126 8.575 99 H VAL 13 HN VAL 13 -5.057 -9.148 7.154 100 HA VAL 13 HA VAL 13 -4.971 -6.944 9.128 101 HB VAL 13 HB VAL 13 -2.559 -7.439 7.458 102 HG11 VAL 13 HG11 VAL 13 -1.450 -6.333 9.352 103 HG12 VAL 13 HG12 VAL 13 -2.964 -6.353 10.258 104 HG13 VAL 13 HG13 VAL 13 -2.820 -5.371 8.800 105 HG21 VAL 13 HG21 VAL 13 -2.838 -9.616 8.453 106 HG22 VAL 13 HG22 VAL 13 -3.244 -8.906 10.015 107 HG23 VAL 13 HG23 VAL 13 -1.601 -8.776 9.388 108 H TYR 14 HN TYR 14 -5.073 -4.907 8.066 109 HA TYR 14 HA TYR 14 -6.135 -5.030 5.363 110 HB2 TYR 14 HB2 TYR 14 -5.721 -2.895 7.390 111 HB3 TYR 14 HB1 TYR 14 -5.892 -2.413 5.705 112 HD1 TYR 14 HD1 TYR 14 -7.476 -5.328 7.405 113 HD2 TYR 14 HD2 TYR 14 -8.055 -1.452 5.661 114 HE1 TYR 14 HE1 TYR 14 -9.931 -5.629 7.558 115 HE2 TYR 14 HE2 TYR 14 -10.511 -1.745 5.817 116 HH TYR 14 HH TYR 14 -12.147 -3.442 6.019 117 H GLY 15 HN GLY 15 -4.692 -5.425 3.758 118 HA2 GLY 15 HA2 GLY 15 -2.003 -4.284 3.796 119 HA3 GLY 15 HA1 GLY 15 -2.717 -5.212 2.467 120 H ARG 16 HN ARG 16 -2.758 -2.067 4.054 121 HA ARG 16 HA ARG 16 -4.503 -0.733 2.255 122 HB2 ARG 16 HB2 ARG 16 -3.806 0.320 4.344 123 HB3 ARG 16 HB1 ARG 16 -2.127 0.353 3.805 124 HG2 ARG 16 HG2 ARG 16 -2.454 2.198 2.530 125 HG3 ARG 16 HG1 ARG 16 -3.989 1.596 1.903 126 HD2 ARG 16 HD2 ARG 16 -5.121 2.252 3.978 127 HD3 ARG 16 HD1 ARG 16 -3.590 2.808 4.654 128 HE ARG 16 HE ARG 16 -5.202 4.214 2.649 129 HH11 ARG 16 HH21 ARG 16 -2.123 3.721 4.122 130 HH12 ARG 16 HH22 ARG 16 -1.521 5.288 3.698 131 HH21 ARG 16 HH11 ARG 16 -4.433 6.264 2.088 132 HH22 ARG 16 HH12 ARG 16 -2.827 6.727 2.547 133 H MET 17 HN MET 17 -4.230 0.124 0.265 134 HA MET 17 HA MET 17 -1.535 -0.167 -1.002 135 HB2 MET 17 HB2 MET 17 -3.291 -1.760 -1.793 136 HB3 MET 17 HB1 MET 17 -4.248 -0.378 -2.315 137 HG2 MET 17 HG2 MET 17 -2.799 0.154 -4.041 138 HG3 MET 17 HG1 MET 17 -1.413 -0.604 -3.262 139 HE1 MET 17 HE1 MET 17 -2.626 -3.972 -2.757 140 HE2 MET 17 HE2 MET 17 -1.319 -2.810 -2.580 141 HE3 MET 17 HE3 MET 17 -1.259 -3.998 -3.876 142 H ILE 18 HN ILE 18 -0.764 1.581 -2.109 143 HA ILE 18 HA ILE 18 -2.576 3.914 -2.518 144 HB ILE 18 HB ILE 18 -0.140 5.108 -2.231 145 HG12 ILE 18 HG12 ILE 18 -0.170 2.784 -0.286 146 HG13 ILE 18 HG11 ILE 18 0.940 3.001 -1.641 147 HG21 ILE 18 HG21 ILE 18 -0.904 5.802 -0.010 148 HG22 ILE 18 HG22 ILE 18 -1.989 4.416 0.078 149 HG23 ILE 18 HG23 ILE 18 -2.297 5.705 -1.083 150 HD11 ILE 18 HD11 ILE 18 2.030 3.753 0.403 151 HD12 ILE 18 HD12 ILE 18 0.669 4.810 0.773 152 HD13 ILE 18 HD13 ILE 18 1.696 5.152 -0.619 153 HA PRO 19 HA PRO 19 -1.928 6.049 -3.351 154 HB2 PRO 19 HB2 PRO 19 -2.749 7.388 -5.555 155 HB3 PRO 19 HB1 PRO 19 -1.056 7.394 -5.021 156 HG2 PRO 19 HG2 PRO 19 -2.341 5.872 -7.222 157 HG3 PRO 19 HG1 PRO 19 -0.727 6.595 -7.137 158 HD2 PRO 19 HD2 PRO 19 -1.277 3.892 -6.748 159 HD3 PRO 19 HD1 PRO 19 0.187 4.722 -6.186 160 H CYS 20 HN CYS 20 -3.297 3.508 -5.009 161 HA CYS 20 HA CYS 20 -5.941 4.327 -5.574 162 HB2 CYS 20 HB2 CYS 20 -4.676 1.993 -5.834 163 HB3 CYS 20 HB1 CYS 20 -5.490 1.657 -4.306 164 H LYS 21 HN LYS 21 -4.415 3.398 -2.530 165 HA LYS 21 HA LYS 21 -5.089 3.880 -0.328 166 HB2 LYS 21 HB2 LYS 21 -6.286 5.894 -1.744 167 HB3 LYS 21 HB1 LYS 21 -7.697 5.061 -1.090 168 HG2 LYS 21 HG2 LYS 21 -6.745 5.216 1.179 169 HG3 LYS 21 HG1 LYS 21 -5.328 6.040 0.530 170 HD2 LYS 21 HD2 LYS 21 -7.804 7.298 -0.353 171 HD3 LYS 21 HD1 LYS 21 -7.676 7.262 1.405 172 HE2 LYS 21 HE2 LYS 21 -6.632 9.298 0.376 173 HE3 LYS 21 HE1 LYS 21 -5.500 8.334 1.325 174 HZ1 LYS 21 HZ1 LYS 21 -5.829 8.142 -1.619 175 HZ2 LYS 21 HZ2 LYS 21 -4.677 7.325 -0.675 176 HZ3 LYS 21 HZ3 LYS 21 -4.599 9.015 -0.842 177 H HIS 22 HN HIS 22 -5.853 1.579 -2.038 178 HA HIS 22 HA HIS 22 -8.474 0.796 -0.900 179 HB2 HIS 22 HB2 HIS 22 -6.786 -0.096 -3.174 180 HB3 HIS 22 HB1 HIS 22 -7.717 -1.355 -2.366 181 HD2 HIS 22 HD2 HIS 22 -10.535 0.158 -1.827 182 HE1 HIS 22 HE1 HIS 22 -10.444 1.218 -5.914 183 HE2 HIS 22 HE2 HIS 22 -11.923 1.008 -3.864 184 H VAL 23 HN VAL 23 -8.181 -1.928 -0.570 185 HA VAL 23 HA VAL 23 -5.820 -2.337 1.158 186 HB VAL 23 HB VAL 23 -6.946 -2.686 3.142 187 HG11 VAL 23 HG11 VAL 23 -8.572 -0.883 3.456 188 HG12 VAL 23 HG12 VAL 23 -8.770 -0.728 1.715 189 HG13 VAL 23 HG13 VAL 23 -7.227 -0.322 2.468 190 HG21 VAL 23 HG21 VAL 23 -8.500 -4.371 2.572 191 HG22 VAL 23 HG22 VAL 23 -9.312 -3.345 1.388 192 HG23 VAL 23 HG23 VAL 23 -9.515 -3.034 3.111 193 H PHE 24 HN PHE 24 -5.425 -4.558 1.626 194 HA PHE 24 HA PHE 24 -7.166 -6.631 0.507 195 HB2 PHE 24 HB2 PHE 24 -4.386 -6.259 -0.652 196 HB3 PHE 24 HB1 PHE 24 -5.553 -7.503 -1.094 197 HD1 PHE 24 HD2 PHE 24 -4.697 -3.932 -1.340 198 HD2 PHE 24 HD1 PHE 24 -7.500 -6.986 -2.459 199 HE1 PHE 24 HE2 PHE 24 -5.668 -2.413 -3.036 200 HE2 PHE 24 HE1 PHE 24 -8.471 -5.471 -4.157 201 HZ PHE 24 HZ PHE 24 -7.554 -3.189 -4.464 202 H CYS 25 HN CYS 25 -6.200 -8.838 1.031 203 HA CYS 25 HA CYS 25 -5.234 -8.933 3.681 204 HB2 CYS 25 HB2 CYS 25 -4.066 -11.159 2.365 205 HB3 CYS 25 HB1 CYS 25 -5.562 -11.130 3.293 206 H TYR 26 HN TYR 26 -3.406 -7.956 4.414 207 HA TYR 26 HA TYR 26 -1.310 -7.001 2.810 208 HB2 TYR 26 HB2 TYR 26 -1.700 -6.300 5.157 209 HB3 TYR 26 HB1 TYR 26 -1.116 -7.871 5.700 210 HD1 TYR 26 HD2 TYR 26 0.039 -5.207 3.270 211 HD2 TYR 26 HD1 TYR 26 1.068 -7.884 6.476 212 HE1 TYR 26 HE2 TYR 26 2.374 -4.392 3.207 213 HE2 TYR 26 HE1 TYR 26 3.403 -7.062 6.409 214 HH TYR 26 HH TYR 26 4.516 -4.759 5.592 215 H ASP 27 HN ASP 27 -1.894 -10.261 3.793 216 HA ASP 27 HA ASP 27 0.900 -11.053 3.378 217 HB2 ASP 27 HB2 ASP 27 -1.651 -12.642 3.797 218 HB3 ASP 27 HB1 ASP 27 -0.077 -13.397 3.540 219 H CYS 28 HN CYS 28 -2.147 -11.092 1.629 220 HA CYS 28 HA CYS 28 -0.944 -12.426 -0.684 221 HB2 CYS 28 HB2 CYS 28 -3.090 -12.706 -1.379 222 HB3 CYS 28 HB1 CYS 28 -3.549 -12.116 0.219 223 H ALA 29 HN ALA 29 -1.505 -9.198 0.467 224 HA ALA 29 HA ALA 29 -1.276 -7.875 -2.065 225 HB1 ALA 29 HB1 ALA 29 -1.494 -5.950 -0.819 226 HB2 ALA 29 HB2 ALA 29 -0.342 -6.494 0.402 227 HB3 ALA 29 HB3 ALA 29 -2.002 -7.086 0.430 228 H ILE 30 HN ILE 30 1.033 -9.062 0.322 229 HA ILE 30 HA ILE 30 3.263 -7.790 -1.106 230 HB ILE 30 HB ILE 30 4.644 -8.808 0.637 231 HG12 ILE 30 HG12 ILE 30 2.045 -10.066 1.577 232 HG13 ILE 30 HG11 ILE 30 3.391 -10.947 0.867 233 HG21 ILE 30 HG21 ILE 30 2.076 -7.527 1.574 234 HG22 ILE 30 HG22 ILE 30 3.547 -6.698 1.086 235 HG23 ILE 30 HG23 ILE 30 3.528 -7.661 2.560 236 HD11 ILE 30 HD11 ILE 30 3.312 -9.500 3.514 237 HD12 ILE 30 HD12 ILE 30 4.830 -9.959 2.743 238 HD13 ILE 30 HD13 ILE 30 3.667 -11.201 3.209 239 H LEU 31 HN LEU 31 1.762 -10.953 -0.735 240 HA LEU 31 HA LEU 31 3.892 -12.304 -2.210 241 HB2 LEU 31 HB2 LEU 31 1.152 -13.092 -1.268 242 HB3 LEU 31 HB1 LEU 31 1.996 -14.100 -2.437 243 HG LEU 31 HG LEU 31 3.464 -13.191 0.011 244 HD11 LEU 31 HD11 LEU 31 2.592 -15.537 0.911 245 HD12 LEU 31 HD12 LEU 31 1.202 -15.148 -0.102 246 HD13 LEU 31 HD13 LEU 31 1.676 -14.058 1.201 247 HD21 LEU 31 HD21 LEU 31 3.549 -15.938 -1.174 248 HD22 LEU 31 HD22 LEU 31 4.855 -14.976 -0.481 249 HD23 LEU 31 HD23 LEU 31 4.260 -14.617 -2.103 250 H HIS 32 HN HIS 32 0.961 -10.560 -2.973 251 HA HIS 32 HA HIS 32 0.809 -11.550 -5.712 252 HB2 HIS 32 HB2 HIS 32 -0.481 -9.217 -4.279 253 HB3 HIS 32 HB1 HIS 32 -0.758 -9.558 -5.985 254 HD1 HIS 32 HD1 HIS 32 -3.282 -10.116 -5.430 255 HD2 HIS 32 HD2 HIS 32 -0.505 -12.660 -3.635 256 HE1 HIS 32 HE1 HIS 32 -4.582 -12.126 -4.598 257 HE2 HIS 32 HE2 HIS 32 -2.902 -13.680 -3.503 258 H GLU 33 HN GLU 33 1.854 -8.501 -4.184 259 HA GLU 33 HA GLU 33 2.834 -7.336 -6.620 260 HB2 GLU 33 HB2 GLU 33 3.559 -5.581 -5.303 261 HB3 GLU 33 HB1 GLU 33 2.394 -6.308 -4.199 262 HG2 GLU 33 HG2 GLU 33 4.368 -7.708 -3.313 263 HG3 GLU 33 HG1 GLU 33 5.405 -6.568 -4.173 264 H LYS 34 HN LYS 34 4.224 -9.616 -4.339 265 HA LYS 34 HA LYS 34 6.936 -9.284 -5.375 266 HB2 LYS 34 HB2 LYS 34 5.632 -11.249 -3.491 267 HB3 LYS 34 HB1 LYS 34 7.292 -11.465 -4.045 268 HG2 LYS 34 HG2 LYS 34 7.995 -9.407 -3.072 269 HG3 LYS 34 HG1 LYS 34 6.334 -8.879 -2.810 270 HD2 LYS 34 HD2 LYS 34 6.137 -10.055 -0.880 271 HD3 LYS 34 HD1 LYS 34 6.977 -11.456 -1.544 272 HE2 LYS 34 HE2 LYS 34 9.137 -10.387 -1.196 273 HE3 LYS 34 HE1 LYS 34 8.351 -8.901 -0.662 274 HZ1 LYS 34 HZ1 LYS 34 8.782 -9.894 1.329 275 HZ2 LYS 34 HZ2 LYS 34 8.614 -11.471 0.722 276 HZ3 LYS 34 HZ3 LYS 34 7.237 -10.526 1.031 277 H LYS 35 HN LYS 35 4.156 -11.313 -6.067 278 HA LYS 35 HA LYS 35 5.709 -13.206 -7.643 279 HB2 LYS 35 HB2 LYS 35 3.439 -13.620 -6.455 280 HB3 LYS 35 HB1 LYS 35 2.729 -12.855 -7.875 281 HG2 LYS 35 HG2 LYS 35 2.769 -14.977 -8.714 282 HG3 LYS 35 HG1 LYS 35 4.456 -14.593 -9.059 283 HD2 LYS 35 HD2 LYS 35 5.083 -15.522 -6.829 284 HD3 LYS 35 HD1 LYS 35 3.403 -16.002 -6.590 285 HE2 LYS 35 HE2 LYS 35 5.044 -16.886 -8.974 286 HE3 LYS 35 HE1 LYS 35 4.922 -17.828 -7.487 287 HZ1 LYS 35 HZ1 LYS 35 2.930 -17.345 -9.550 288 HZ2 LYS 35 HZ2 LYS 35 2.362 -17.343 -7.949 289 HZ3 LYS 35 HZ3 LYS 35 3.166 -18.706 -8.566 290 H GLY 36 HN GLY 36 5.104 -10.073 -8.206 291 HA2 GLY 36 HA2 GLY 36 5.655 -9.009 -10.309 292 HA3 GLY 36 HA1 GLY 36 5.163 -10.478 -11.153 293 H ASP 37 HN ASP 37 3.332 -8.875 -8.610 294 HA ASP 37 HA ASP 37 1.295 -8.044 -10.618 295 HB2 ASP 37 HB2 ASP 37 0.416 -8.984 -7.920 296 HB3 ASP 37 HB1 ASP 37 -0.442 -9.044 -9.459 297 H LYS 38 HN LYS 38 3.066 -6.230 -9.853 298 HA LYS 38 HA LYS 38 2.416 -4.832 -7.408 299 HB2 LYS 38 HB2 LYS 38 3.688 -2.934 -8.727 300 HB3 LYS 38 HB1 LYS 38 4.574 -4.352 -8.163 301 HG2 LYS 38 HG2 LYS 38 4.580 -5.349 -10.302 302 HG3 LYS 38 HG1 LYS 38 3.291 -4.300 -10.889 303 HD2 LYS 38 HD2 LYS 38 5.832 -3.024 -9.959 304 HD3 LYS 38 HD1 LYS 38 5.830 -3.829 -11.529 305 HE2 LYS 38 HE2 LYS 38 4.296 -2.347 -12.441 306 HE3 LYS 38 HE1 LYS 38 3.577 -1.966 -10.877 307 HZ1 LYS 38 HZ1 LYS 38 6.374 -1.245 -11.250 308 HZ2 LYS 38 HZ2 LYS 38 5.137 -0.419 -10.427 309 HZ3 LYS 38 HZ3 LYS 38 5.237 -0.336 -12.120 310 H MET 39 HN MET 39 0.198 -5.438 -9.279 311 HA MET 39 HA MET 39 -0.801 -2.660 -9.694 312 HB2 MET 39 HB2 MET 39 -0.807 -4.994 -11.491 313 HB3 MET 39 HB1 MET 39 -2.296 -4.039 -11.439 314 HG2 MET 39 HG2 MET 39 -1.116 -2.010 -11.916 315 HG3 MET 39 HG1 MET 39 0.445 -2.800 -11.697 316 HE1 MET 39 HE1 MET 39 -0.844 -1.048 -14.254 317 HE2 MET 39 HE2 MET 39 -2.379 -1.839 -13.906 318 HE3 MET 39 HE3 MET 39 -1.625 -2.052 -15.484 319 H CYS 40 HN CYS 40 -2.493 -2.194 -8.448 320 HA CYS 40 HA CYS 40 -3.628 -3.608 -6.448 321 HB2 CYS 40 HB2 CYS 40 -4.180 -1.224 -7.536 322 HB3 CYS 40 HB1 CYS 40 -5.609 -2.104 -8.059 323 HA PRO 41 HA PRO 41 -5.260 -7.175 -8.843 324 HB2 PRO 41 HB2 PRO 41 -6.092 -7.925 -6.077 325 HB3 PRO 41 HB1 PRO 41 -5.266 -8.899 -7.309 326 HG2 PRO 41 HG2 PRO 41 -3.978 -7.915 -5.192 327 HG3 PRO 41 HG1 PRO 41 -3.204 -8.058 -6.780 328 HD2 PRO 41 HD2 PRO 41 -4.185 -5.618 -5.377 329 HD3 PRO 41 HD1 PRO 41 -2.846 -5.800 -6.531 330 H GLY 42 HN GLY 42 -6.782 -4.857 -6.796 331 HA2 GLY 42 HA2 GLY 42 -9.501 -5.880 -7.418 332 HA3 GLY 42 HA1 GLY 42 -9.124 -4.608 -6.261 333 H CYS 43 HN CYS 43 -7.450 -3.012 -7.994 334 HA CYS 43 HA CYS 43 -9.489 -2.092 -9.981 335 HB2 CYS 43 HB2 CYS 43 -7.513 -0.177 -8.843 336 HB3 CYS 43 HB1 CYS 43 -9.184 0.094 -9.337 337 H SER 44 HN SER 44 -6.170 -2.925 -9.446 338 HA SER 44 HA SER 44 -4.462 -3.269 -11.016 339 HB2 SER 44 HB2 SER 44 -6.643 -3.648 -12.531 340 HB3 SER 44 HB1 SER 44 -6.076 -2.156 -13.272 341 HG SER 44 HG SER 44 -5.031 -3.777 -14.319 342 H ASP 45 HN ASP 45 -4.206 -1.112 -9.515 343 HA ASP 45 HA ASP 45 -3.592 1.144 -11.372 344 HB2 ASP 45 HB2 ASP 45 -4.684 2.470 -9.915 345 HB3 ASP 45 HB1 ASP 45 -5.039 1.069 -8.906 346 HA PRO 46 HA PRO 46 0.697 0.801 -10.471 347 HB2 PRO 46 HB2 PRO 46 1.348 3.417 -9.732 348 HB3 PRO 46 HB1 PRO 46 1.249 2.814 -11.394 349 HG2 PRO 46 HG2 PRO 46 -0.725 4.379 -9.829 350 HG3 PRO 46 HG1 PRO 46 -0.348 4.436 -11.558 351 HD2 PRO 46 HD2 PRO 46 -2.579 3.214 -10.611 352 HD3 PRO 46 HD1 PRO 46 -1.728 2.636 -12.060 353 H VAL 47 HN VAL 47 0.246 -0.507 -8.519 354 HA VAL 47 HA VAL 47 -0.225 0.464 -5.919 355 HB VAL 47 HB VAL 47 1.571 -1.827 -6.770 356 HG11 VAL 47 HG11 VAL 47 0.451 -2.472 -4.362 357 HG12 VAL 47 HG12 VAL 47 0.742 -0.743 -4.164 358 HG13 VAL 47 HG13 VAL 47 2.079 -1.823 -4.563 359 HG21 VAL 47 HG21 VAL 47 -0.719 -2.943 -5.872 360 HG22 VAL 47 HG22 VAL 47 -0.457 -2.534 -7.545 361 HG23 VAL 47 HG23 VAL 47 -1.372 -1.444 -6.526 362 H GLN 48 HN GLN 48 0.886 2.372 -5.419 363 HA GLN 48 HA GLN 48 3.656 2.838 -5.935 364 HB2 GLN 48 HB2 GLN 48 1.514 4.121 -4.353 365 HB3 GLN 48 HB1 GLN 48 3.148 4.395 -3.750 366 HG2 GLN 48 HG2 GLN 48 3.858 5.382 -5.771 367 HG3 GLN 48 HG1 GLN 48 2.482 4.740 -6.667 368 HE21 GLN 48 HE21 GLN 48 1.665 6.827 -7.339 369 HE22 GLN 48 HE22 GLN 48 1.017 7.942 -6.234 370 H ARG 49 HN ARG 49 2.084 2.240 -2.790 371 HA ARG 49 HA ARG 49 4.196 0.318 -2.115 372 HB2 ARG 49 HB2 ARG 49 4.188 2.020 0.142 373 HB3 ARG 49 HB1 ARG 49 5.525 1.726 -0.967 374 HG2 ARG 49 HG2 ARG 49 4.899 3.585 -2.350 375 HG3 ARG 49 HG1 ARG 49 3.360 3.773 -1.509 376 HD2 ARG 49 HD2 ARG 49 4.445 4.506 0.497 377 HD3 ARG 49 HD1 ARG 49 6.032 4.052 -0.122 378 HE ARG 49 HE ARG 49 4.638 6.529 -0.696 379 HH11 ARG 49 HH21 ARG 49 6.771 4.107 -1.910 380 HH12 ARG 49 HH22 ARG 49 7.562 5.172 -3.023 381 HH21 ARG 49 HH11 ARG 49 5.658 7.934 -2.141 382 HH22 ARG 49 HH12 ARG 49 6.932 7.340 -3.154 383 H ILE 50 HN ILE 50 3.256 -1.277 -0.915 384 HA ILE 50 HA ILE 50 0.568 -0.763 0.125 385 HB ILE 50 HB ILE 50 1.942 -3.377 0.510 386 HG12 ILE 50 HG12 ILE 50 0.888 -2.267 -2.104 387 HG13 ILE 50 HG11 ILE 50 2.534 -2.786 -1.770 388 HG21 ILE 50 HG21 ILE 50 -0.357 -2.896 1.352 389 HG22 ILE 50 HG22 ILE 50 -0.334 -4.190 0.163 390 HG23 ILE 50 HG23 ILE 50 -0.868 -2.580 -0.305 391 HD11 ILE 50 HD11 ILE 50 1.414 -4.558 -2.992 392 HD12 ILE 50 HD12 ILE 50 0.071 -4.548 -1.853 393 HD13 ILE 50 HD13 ILE 50 1.663 -5.097 -1.332 394 H GLU 51 HN GLU 51 -0.016 -0.917 2.228 395 HA GLU 51 HA GLU 51 2.137 -1.293 4.245 396 HB2 GLU 51 HB2 GLU 51 0.126 0.956 4.380 397 HB3 GLU 51 HB1 GLU 51 1.536 0.705 5.417 398 HG2 GLU 51 HG2 GLU 51 2.988 0.890 3.390 399 HG3 GLU 51 HG1 GLU 51 1.555 1.311 2.453 400 H GLN 52 HN GLN 52 1.405 -1.977 6.282 401 HA GLN 52 HA GLN 52 -1.166 -3.414 6.172 402 HB2 GLN 52 HB2 GLN 52 -0.386 -4.634 8.082 403 HB3 GLN 52 HB1 GLN 52 0.995 -4.472 6.997 404 HG2 GLN 52 HG2 GLN 52 1.475 -2.286 8.360 405 HG3 GLN 52 HG1 GLN 52 0.447 -3.038 9.581 406 HE21 GLN 52 HE21 GLN 52 1.157 -5.189 10.428 407 HE22 GLN 52 HE22 GLN 52 2.798 -5.619 10.354 408 H CYS 53 HN CYS 53 -2.846 -3.086 7.691 409 HA CYS 53 HA CYS 53 -2.567 -0.928 9.676 410 HB2 CYS 53 HB2 CYS 53 -3.825 -0.543 7.088 411 HB3 CYS 53 HB1 CYS 53 -4.986 -0.306 8.395 412 H THR 54 HN THR 54 -4.664 -0.764 10.989 413 HA THR 54 HA THR 54 -5.601 -3.480 11.549 414 HB THR 54 HB THR 54 -7.070 -1.447 12.973 415 HG1 THR 54 HG1 THR 54 -4.274 -1.143 12.733 416 HG21 THR 54 HG21 THR 54 -6.007 -2.536 14.906 417 HG22 THR 54 HG22 THR 54 -4.879 -3.358 13.828 418 HG23 THR 54 HG23 THR 54 -6.600 -3.739 13.760 419 H ARG 55 HN ARG 55 -7.994 -3.897 11.725 420 HA ARG 55 HA ARG 55 -9.286 -3.259 9.252 421 HB2 ARG 55 HB2 ARG 55 -10.689 -4.263 11.729 422 HB3 ARG 55 HB1 ARG 55 -11.120 -4.557 10.044 423 HG2 ARG 55 HG2 ARG 55 -8.990 -5.806 9.743 424 HG3 ARG 55 HG1 ARG 55 -8.632 -5.568 11.454 425 HD2 ARG 55 HD2 ARG 55 -11.303 -6.606 11.175 426 HD3 ARG 55 HD1 ARG 55 -10.178 -7.638 10.293 427 HE ARG 55 HE ARG 55 -8.906 -7.249 12.707 428 HH11 ARG 55 HH21 ARG 55 -12.061 -8.217 11.711 429 HH12 ARG 55 HH22 ARG 55 -12.329 -9.233 13.088 430 HH21 ARG 55 HH11 ARG 55 -9.237 -8.570 14.511 431 HH22 ARG 55 HH12 ARG 55 -10.731 -9.432 14.673 432 H GLY 56 HN GLY 56 -10.564 -2.477 12.502 433 HA2 GLY 56 HA2 GLY 56 -12.274 -0.415 11.448 434 HA3 GLY 56 HA1 GLY 56 -11.929 -0.682 13.155 435 H SER 57 HN SER 57 -9.326 -0.096 10.844 436 HA SER 57 HA SER 57 -8.685 2.367 12.357 437 HB2 SER 57 HB2 SER 57 -7.148 0.720 10.348 438 HB3 SER 57 HB1 SER 57 -6.571 2.279 10.928 439 HG SER 57 HG SER 57 -6.768 1.404 13.069 440 H LEU 58 HN LEU 58 -9.501 1.323 9.089 441 HA LEU 58 HA LEU 58 -9.432 4.145 8.163 442 HB2 LEU 58 HB2 LEU 58 -10.164 1.896 6.344 443 HB3 LEU 58 HB1 LEU 58 -9.216 3.345 6.020 444 HG LEU 58 HG LEU 58 -8.299 0.932 7.611 445 HD11 LEU 58 HD11 LEU 58 -8.416 0.788 5.070 446 HD12 LEU 58 HD12 LEU 58 -6.817 0.528 5.769 447 HD13 LEU 58 HD13 LEU 58 -7.215 2.077 5.025 448 HD21 LEU 58 HD21 LEU 58 -7.043 2.553 8.641 449 HD22 LEU 58 HD22 LEU 58 -7.286 3.713 7.335 450 HD23 LEU 58 HD23 LEU 58 -6.081 2.436 7.168 451 H PHE 59 HN PHE 59 -11.318 4.653 6.561 452 HA PHE 59 HA PHE 59 -13.874 3.783 7.848 453 HB2 PHE 59 HB2 PHE 59 -13.276 6.391 6.430 454 HB3 PHE 59 HB1 PHE 59 -14.782 5.969 7.244 455 HD1 PHE 59 HD2 PHE 59 -14.900 5.810 9.691 456 HD2 PHE 59 HD1 PHE 59 -11.267 6.937 7.694 457 HE1 PHE 59 HE2 PHE 59 -13.966 6.615 11.843 458 HE2 PHE 59 HE1 PHE 59 -10.333 7.741 9.846 459 HZ PHE 59 HZ PHE 59 -11.683 7.580 11.921 460 H MET 60 HN MET 60 -14.725 2.253 6.502 461 HA MET 60 HA MET 60 -14.276 2.240 3.642 462 HB2 MET 60 HB2 MET 60 -14.988 0.322 5.388 463 HB3 MET 60 HB1 MET 60 -16.588 0.752 4.782 464 HG2 MET 60 HG2 MET 60 -15.788 0.431 2.461 465 HG3 MET 60 HG1 MET 60 -14.203 -0.035 3.080 466 HE1 MET 60 HE1 MET 60 -13.518 -2.141 3.896 467 HE2 MET 60 HE2 MET 60 -13.940 -2.386 2.203 468 HE3 MET 60 HE3 MET 60 -14.365 -3.611 3.396 469 H CYS 61 HN CYS 61 -15.687 2.832 1.988 470 HA CYS 61 HA CYS 61 -17.569 4.963 2.579 471 HB2 CYS 61 HB2 CYS 61 -16.100 4.462 0.419 472 HB3 CYS 61 HB1 CYS 61 -17.537 3.564 -0.070 473 H SER 62 HN SER 62 -19.835 4.869 2.515 474 HA SER 62 HA SER 62 -21.110 2.246 1.934 475 HB2 SER 62 HB2 SER 62 -21.569 3.805 4.495 476 HB3 SER 62 HB1 SER 62 -22.398 2.325 4.023 477 HG SER 62 HG SER 62 -19.587 2.587 4.334 478 H ILE 63 HN ILE 63 -21.489 3.961 0.080 479 HA ILE 63 HA ILE 63 -23.819 5.708 0.726 480 HB ILE 63 HB ILE 63 -22.267 5.571 -1.870 481 HG12 ILE 63 HG12 ILE 63 -20.651 6.093 -0.157 482 HG13 ILE 63 HG11 ILE 63 -21.069 7.603 -0.962 483 HG21 ILE 63 HG21 ILE 63 -24.048 7.674 -0.602 484 HG22 ILE 63 HG22 ILE 63 -24.430 6.693 -2.018 485 HG23 ILE 63 HG23 ILE 63 -23.143 7.896 -2.100 486 HD11 ILE 63 HD11 ILE 63 -22.856 7.856 0.911 487 HD12 ILE 63 HD12 ILE 63 -21.173 8.156 1.332 488 HD13 ILE 63 HD13 ILE 63 -21.925 6.623 1.758 489 H VAL 64 HN VAL 64 -22.970 3.948 -2.261 490 HA VAL 64 HA VAL 64 -25.802 3.141 -2.506 491 HB VAL 64 HB VAL 64 -24.733 2.086 -4.699 492 HG11 VAL 64 HG11 VAL 64 -25.289 4.988 -4.083 493 HG12 VAL 64 HG12 VAL 64 -26.322 3.826 -4.915 494 HG13 VAL 64 HG13 VAL 64 -24.883 4.458 -5.714 495 HG21 VAL 64 HG21 VAL 64 -22.414 2.755 -3.649 496 HG22 VAL 64 HG22 VAL 64 -22.814 4.359 -4.261 497 HG23 VAL 64 HG23 VAL 64 -22.687 2.997 -5.374 498 H GLN 65 HN GLN 65 -23.328 1.062 -3.788 499 HA GLN 65 HA GLN 65 -23.271 -0.814 -1.586 500 HB2 GLN 65 HB2 GLN 65 -25.647 -0.990 -2.690 501 HB3 GLN 65 HB1 GLN 65 -24.787 -1.856 -3.963 502 HG2 GLN 65 HG2 GLN 65 -23.733 -3.122 -1.852 503 HG3 GLN 65 HG1 GLN 65 -25.268 -2.644 -1.127 504 HE21 GLN 65 HE21 GLN 65 -27.264 -3.482 -2.126 505 HE22 GLN 65 HE22 GLN 65 -27.217 -4.832 -3.155 506 H GLY 66 HN GLY 66 -21.475 0.494 -3.536 507 HA2 GLY 66 HA2 GLY 66 -20.073 -1.959 -4.422 508 HA3 GLY 66 HA1 GLY 66 -20.462 -0.770 -5.666 509 H CYS 67 HN CYS 67 -20.075 1.541 -3.925 510 HA CYS 67 HA CYS 67 -17.266 1.950 -4.332 511 HB2 CYS 67 HB2 CYS 67 -19.230 3.675 -4.035 512 HB3 CYS 67 HB1 CYS 67 -18.819 3.552 -2.324 513 H LYS 68 HN LYS 68 -15.554 1.859 -2.877 514 HA LYS 68 HA LYS 68 -16.046 1.237 -0.046 515 HB2 LYS 68 HB2 LYS 68 -14.705 -0.735 -1.923 516 HB3 LYS 68 HB1 LYS 68 -14.607 -0.831 -0.165 517 HG2 LYS 68 HG2 LYS 68 -17.174 -0.804 -0.176 518 HG3 LYS 68 HG1 LYS 68 -17.060 -1.106 -1.910 519 HD2 LYS 68 HD2 LYS 68 -15.301 -2.960 -0.879 520 HD3 LYS 68 HD1 LYS 68 -16.575 -2.931 0.342 521 HE2 LYS 68 HE2 LYS 68 -18.246 -3.162 -1.558 522 HE3 LYS 68 HE1 LYS 68 -16.875 -3.477 -2.620 523 HZ1 LYS 68 HZ1 LYS 68 -18.139 -5.404 -1.374 524 HZ2 LYS 68 HZ2 LYS 68 -17.044 -5.006 -0.137 525 HZ3 LYS 68 HZ3 LYS 68 -16.469 -5.477 -1.665 526 H ARG 69 HN ARG 69 -14.813 3.440 -1.417 527 HA ARG 69 HA ARG 69 -11.922 3.075 -1.358 528 HB2 ARG 69 HB2 ARG 69 -13.793 5.378 -1.758 529 HB3 ARG 69 HB1 ARG 69 -12.114 5.724 -1.340 530 HG2 ARG 69 HG2 ARG 69 -12.647 3.717 -3.495 531 HG3 ARG 69 HG1 ARG 69 -12.853 5.427 -3.877 532 HD2 ARG 69 HD2 ARG 69 -10.589 5.927 -3.332 533 HD3 ARG 69 HD1 ARG 69 -10.360 4.371 -2.535 534 HE ARG 69 HE ARG 69 -10.015 3.381 -4.661 535 HH11 ARG 69 HH21 ARG 69 -11.320 6.566 -4.864 536 HH12 ARG 69 HH22 ARG 69 -11.107 6.687 -6.579 537 HH21 ARG 69 HH11 ARG 69 -9.730 3.521 -6.900 538 HH22 ARG 69 HH12 ARG 69 -10.207 4.964 -7.731 539 H THR 70 HN THR 70 -11.251 2.436 0.709 540 HA THR 70 HA THR 70 -12.260 3.510 3.152 541 HB THR 70 HB THR 70 -9.742 2.827 3.850 542 HG1 THR 70 HG1 THR 70 -10.346 1.350 1.506 543 HG21 THR 70 HG21 THR 70 -10.618 0.566 4.267 544 HG22 THR 70 HG22 THR 70 -11.967 0.888 3.179 545 HG23 THR 70 HG23 THR 70 -11.813 1.795 4.682 546 H TYR 71 HN TYR 71 -10.545 4.704 4.694 547 HA TYR 71 HA TYR 71 -8.845 6.633 3.336 548 HB2 TYR 71 HB2 TYR 71 -11.555 7.374 4.358 549 HB3 TYR 71 HB1 TYR 71 -10.248 8.546 4.448 550 HD1 TYR 71 HD1 TYR 71 -8.925 9.047 2.299 551 HD2 TYR 71 HD2 TYR 71 -12.700 6.995 2.317 552 HE1 TYR 71 HE1 TYR 71 -9.220 9.564 -0.108 553 HE2 TYR 71 HE2 TYR 71 -12.993 7.513 -0.089 554 HH TYR 71 HH TYR 71 -10.435 8.768 -2.023 555 H LEU 72 HN LEU 72 -8.246 8.395 5.127 556 HA LEU 72 HA LEU 72 -7.694 6.867 7.624 557 HB2 LEU 72 HB2 LEU 72 -6.117 9.286 7.259 558 HB3 LEU 72 HB1 LEU 72 -5.575 7.631 7.532 559 HG LEU 72 HG LEU 72 -6.447 8.784 4.862 560 HD11 LEU 72 HD11 LEU 72 -4.094 8.607 4.257 561 HD12 LEU 72 HD12 LEU 72 -3.709 7.917 5.834 562 HD13 LEU 72 HD13 LEU 72 -4.241 9.594 5.711 563 HD21 LEU 72 HD21 LEU 72 -6.693 6.630 4.231 564 HD22 LEU 72 HD22 LEU 72 -6.220 6.074 5.836 565 HD23 LEU 72 HD23 LEU 72 -4.992 6.360 4.605 566 H SER 73 HN SER 73 -9.568 9.407 6.419 567 HA SER 73 HA SER 73 -10.254 10.212 9.159 568 HB2 SER 73 HB2 SER 73 -8.353 11.688 8.730 569 HB3 SER 73 HB1 SER 73 -9.061 12.195 7.199 570 HG SER 73 HG SER 73 -9.557 13.700 8.796 571 H GLN 74 HN GLN 74 -12.403 10.610 9.219 572 HA GLN 74 HA GLN 74 -14.198 10.213 7.165 573 HB2 GLN 74 HB2 GLN 74 -14.385 11.126 9.779 574 HB3 GLN 74 HB1 GLN 74 -15.045 12.462 8.834 575 HG2 GLN 74 HG2 GLN 74 -16.893 11.020 9.282 576 HG3 GLN 74 HG1 GLN 74 -16.448 10.713 7.603 577 HE21 GLN 74 HE21 GLN 74 -15.282 8.688 7.128 578 HE22 GLN 74 HE22 GLN 74 -15.304 7.397 8.231 579 H ARG 75 HN ARG 75 -12.226 13.035 7.714 580 HA ARG 75 HA ARG 75 -13.635 14.887 6.069 581 HB2 ARG 75 HB2 ARG 75 -11.880 15.610 7.599 582 HB3 ARG 75 HB1 ARG 75 -10.682 14.668 6.709 583 HG2 ARG 75 HG2 ARG 75 -12.202 16.490 4.988 584 HG3 ARG 75 HG1 ARG 75 -11.293 17.328 6.244 585 HD2 ARG 75 HD2 ARG 75 -9.241 16.162 5.570 586 HD3 ARG 75 HD1 ARG 75 -10.138 15.267 4.342 587 HE ARG 75 HE ARG 75 -10.436 18.129 4.001 588 HH11 ARG 75 HH21 ARG 75 -8.378 15.402 3.533 589 HH12 ARG 75 HH22 ARG 75 -7.558 16.087 2.170 590 HH21 ARG 75 HH11 ARG 75 -9.377 19.039 2.224 591 HH22 ARG 75 HH12 ARG 75 -8.123 18.146 1.428 592 H ASP 76 HN ASP 76 -11.250 12.391 5.276 593 HA ASP 76 HA ASP 76 -11.071 13.309 2.495 594 HB2 ASP 76 HB2 ASP 76 -9.214 12.119 3.849 595 HB3 ASP 76 HB1 ASP 76 -10.116 10.645 3.516 596 H LEU 77 HN LEU 77 -12.685 10.810 4.348 597 HA LEU 77 HA LEU 77 -13.807 9.455 2.049 598 HB2 LEU 77 HB2 LEU 77 -13.643 8.194 4.081 599 HB3 LEU 77 HB1 LEU 77 -14.422 9.460 5.009 600 HG LEU 77 HG LEU 77 -16.035 8.436 2.760 601 HD11 LEU 77 HD11 LEU 77 -15.126 6.315 3.323 602 HD12 LEU 77 HD12 LEU 77 -16.660 6.403 4.190 603 HD13 LEU 77 HD13 LEU 77 -15.145 6.680 5.047 604 HD21 LEU 77 HD21 LEU 77 -17.797 8.733 4.320 605 HD22 LEU 77 HD22 LEU 77 -16.668 10.026 4.719 606 HD23 LEU 77 HD23 LEU 77 -16.717 8.564 5.702 607 H GLN 78 HN GLN 78 -14.667 12.100 4.185 608 HA GLN 78 HA GLN 78 -17.379 12.304 3.228 609 HB2 GLN 78 HB2 GLN 78 -16.620 13.383 5.357 610 HB3 GLN 78 HB1 GLN 78 -15.644 14.497 4.399 611 HG2 GLN 78 HG2 GLN 78 -17.748 15.583 4.937 612 HG3 GLN 78 HG1 GLN 78 -17.742 15.213 3.214 613 HE21 GLN 78 HE21 GLN 78 -19.122 13.418 2.466 614 HE22 GLN 78 HE22 GLN 78 -20.368 12.815 3.447 615 H ALA 79 HN ALA 79 -14.252 13.505 2.329 616 HA ALA 79 HA ALA 79 -15.216 15.265 0.247 617 HB1 ALA 79 HB1 ALA 79 -13.050 15.884 0.299 618 HB2 ALA 79 HB2 ALA 79 -12.604 14.317 -0.376 619 HB3 ALA 79 HB3 ALA 79 -12.687 14.535 1.369 620 H HIS 80 HN HIS 80 -14.779 11.847 0.596 621 HA HIS 80 HA HIS 80 -14.478 11.348 -2.260 622 HB2 HIS 80 HB2 HIS 80 -13.686 9.662 -0.710 623 HB3 HIS 80 HB1 HIS 80 -15.286 9.518 0.012 624 HD1 HIS 80 HD1 HIS 80 -13.392 8.704 -3.146 625 HD2 HIS 80 HD2 HIS 80 -17.114 7.954 -1.431 626 HE1 HIS 80 HE1 HIS 80 -14.500 6.938 -4.585 627 H ILE 81 HN ILE 81 -17.160 11.252 0.026 628 HA ILE 81 HA ILE 81 -19.197 10.392 -1.732 629 HB ILE 81 HB ILE 81 -19.784 12.508 0.283 630 HG12 ILE 81 HG12 ILE 81 -18.170 11.232 1.440 631 HG13 ILE 81 HG11 ILE 81 -19.732 10.710 2.046 632 HG21 ILE 81 HG21 ILE 81 -21.098 9.884 -0.458 633 HG22 ILE 81 HG22 ILE 81 -21.620 11.488 -0.970 634 HG23 ILE 81 HG23 ILE 81 -21.716 11.031 0.731 635 HD11 ILE 81 HD11 ILE 81 -17.733 9.232 0.413 636 HD12 ILE 81 HD12 ILE 81 -19.428 8.945 0.028 637 HD13 ILE 81 HD13 ILE 81 -18.830 8.634 1.654 638 H ASN 82 HN ASN 82 -18.237 13.730 -0.921 639 HA ASN 82 HA ASN 82 -20.104 14.784 -2.880 640 HB2 ASN 82 HB2 ASN 82 -18.777 16.935 -2.503 641 HB3 ASN 82 HB1 ASN 82 -19.593 16.252 -1.098 642 HD21 ASN 82 HD21 ASN 82 -18.175 16.820 0.581 643 HD22 ASN 82 HD22 ASN 82 -16.536 16.389 0.622 644 H HIS 83 HN HIS 83 -16.904 13.518 -3.042 645 HA HIS 83 HA HIS 83 -16.310 15.010 -5.496 646 HB2 HIS 83 HB2 HIS 83 -14.806 12.882 -3.991 647 HB3 HIS 83 HB1 HIS 83 -14.269 13.481 -5.555 648 HD1 HIS 83 HD1 HIS 83 -12.200 14.285 -3.843 649 HD2 HIS 83 HD2 HIS 83 -15.787 16.410 -3.705 650 HE1 HIS 83 HE1 HIS 83 -11.673 16.513 -2.756 651 HE2 HIS 83 HE2 HIS 83 -13.848 17.814 -2.668 652 H ARG 84 HN ARG 84 -17.700 11.871 -4.712 653 HA ARG 84 HA ARG 84 -17.716 11.307 -7.646 654 HB2 ARG 84 HB2 ARG 84 -17.631 9.052 -5.684 655 HB3 ARG 84 HB1 ARG 84 -17.117 9.080 -7.361 656 HG2 ARG 84 HG2 ARG 84 -15.708 10.603 -5.135 657 HG3 ARG 84 HG1 ARG 84 -15.213 9.023 -5.722 658 HD2 ARG 84 HD2 ARG 84 -15.520 10.598 -8.038 659 HD3 ARG 84 HD1 ARG 84 -14.687 11.622 -6.874 660 HE ARG 84 HE ARG 84 -13.422 9.097 -6.799 661 HH11 ARG 84 HH21 ARG 84 -14.036 11.701 -8.972 662 HH12 ARG 84 HH22 ARG 84 -12.583 11.459 -9.882 663 HH21 ARG 84 HH11 ARG 84 -11.520 8.767 -7.973 664 HH22 ARG 84 HH12 ARG 84 -11.158 9.799 -9.317 665 H HIS 85 HN HIS 85 -19.532 11.188 -4.656 666 HA HIS 85 HA HIS 85 -21.805 9.926 -6.094 667 HB2 HIS 85 HB2 HIS 85 -21.644 10.655 -3.164 668 HB3 HIS 85 HB1 HIS 85 -22.791 9.559 -3.937 669 HD1 HIS 85 HD1 HIS 85 -22.194 7.182 -3.528 670 HD2 HIS 85 HD2 HIS 85 -18.796 9.580 -3.802 671 HE1 HIS 85 HE1 HIS 85 -20.206 5.642 -3.219 672 H MET 86 HN MET 86 -21.059 12.728 -4.076 673 HA MET 86 HA MET 86 -22.252 14.742 -3.777 674 HB2 MET 86 HB2 MET 86 -21.019 14.612 -6.172 675 HB3 MET 86 HB1 MET 86 -22.682 14.859 -6.710 676 HG2 MET 86 HG2 MET 86 -22.737 16.742 -4.909 677 HG3 MET 86 HG1 MET 86 -20.977 16.638 -4.980 678 HE1 MET 86 HE1 MET 86 -23.267 19.123 -5.991 679 HE2 MET 86 HE2 MET 86 -21.977 19.854 -6.943 680 HE3 MET 86 HE3 MET 86 -21.613 19.156 -5.367 681 H ARG 87 HN ARG 87 -23.944 12.363 -3.691 682 HA ARG 87 HA ARG 87 -26.404 13.187 -5.099 683 HB2 ARG 87 HB2 ARG 87 -25.490 10.735 -4.715 684 HB3 ARG 87 HB1 ARG 87 -26.306 10.904 -3.160 685 HG2 ARG 87 HG2 ARG 87 -28.355 11.679 -4.494 686 HG3 ARG 87 HG1 ARG 87 -27.516 11.077 -5.924 687 HD2 ARG 87 HD2 ARG 87 -29.023 9.355 -4.997 688 HD3 ARG 87 HD1 ARG 87 -27.337 8.846 -4.883 689 HE ARG 87 HE ARG 87 -28.101 10.187 -2.464 690 HH11 ARG 87 HH21 ARG 87 -28.550 7.300 -4.294 691 HH12 ARG 87 HH22 ARG 87 -28.860 6.310 -2.907 692 HH21 ARG 87 HH11 ARG 87 -28.503 8.911 -0.641 693 HH22 ARG 87 HH12 ARG 87 -28.833 7.222 -0.839 694 H ALA 88 HN ALA 88 -24.892 14.022 -2.277 695 HA ALA 88 HA ALA 88 -26.757 13.905 -0.215 696 HB1 ALA 88 HB1 ALA 88 -25.073 16.323 -0.942 697 HB2 ALA 88 HB2 ALA 88 -24.506 14.937 -0.009 698 HB3 ALA 88 HB3 ALA 88 -25.769 15.982 0.643 699 H GLY 89 HN GLY 89 -26.518 16.615 -2.555 700 HA2 GLY 89 HA2 GLY 89 -29.426 16.752 -2.778 701 HA3 GLY 89 HA1 GLY 89 -28.737 18.093 -1.862 Start of MODEL 9 1 H1 VAL 1 HT1 VAL 1 -12.166 -3.155 4.246 2 H2 VAL 1 HT2 VAL 1 -11.404 -3.812 2.877 3 H3 VAL 1 HT3 VAL 1 -10.934 -4.306 4.433 4 HA VAL 1 HA VAL 1 -13.684 -4.741 4.204 5 HB VAL 1 HB VAL 1 -13.564 -4.810 1.845 6 HG11 VAL 1 HG11 VAL 1 -10.820 -5.693 2.379 7 HG12 VAL 1 HG12 VAL 1 -11.468 -4.811 0.996 8 HG13 VAL 1 HG13 VAL 1 -11.588 -6.569 1.055 9 HG21 VAL 1 HG21 VAL 1 -14.016 -7.086 1.287 10 HG22 VAL 1 HG22 VAL 1 -14.527 -6.888 2.959 11 HG23 VAL 1 HG23 VAL 1 -12.995 -7.685 2.591 12 H HIS 2 HN HIS 2 -14.050 -7.118 4.611 13 HA HIS 2 HA HIS 2 -11.919 -8.111 6.397 14 HB2 HIS 2 HB2 HIS 2 -14.351 -9.735 6.108 15 HB3 HIS 2 HB1 HIS 2 -13.586 -9.109 7.568 16 HD1 HIS 2 HD1 HIS 2 -14.001 -6.432 7.987 17 HD2 HIS 2 HD2 HIS 2 -16.631 -8.337 5.369 18 HE1 HIS 2 HE1 HIS 2 -16.021 -4.916 7.769 19 HE2 HIS 2 HE2 HIS 2 -17.627 -6.066 6.177 20 H PHE 3 HN PHE 3 -14.025 -9.522 3.894 21 HA PHE 3 HA PHE 3 -12.176 -11.742 3.480 22 HB2 PHE 3 HB2 PHE 3 -14.625 -10.939 1.893 23 HB3 PHE 3 HB1 PHE 3 -13.786 -12.487 1.798 24 HD1 PHE 3 HD2 PHE 3 -13.744 -14.012 3.787 25 HD2 PHE 3 HD1 PHE 3 -16.154 -10.459 3.676 26 HE1 PHE 3 HE2 PHE 3 -15.078 -14.858 5.698 27 HE2 PHE 3 HE1 PHE 3 -17.489 -11.304 5.588 28 HZ PHE 3 HZ PHE 3 -16.951 -13.504 6.599 29 H CYS 4 HN CYS 4 -10.394 -11.582 2.205 30 HA CYS 4 HA CYS 4 -9.528 -9.407 0.742 31 HB2 CYS 4 HB2 CYS 4 -8.617 -11.947 1.099 32 HB3 CYS 4 HB1 CYS 4 -9.055 -11.993 -0.602 33 H ASP 5 HN ASP 5 -9.750 -8.681 -1.392 34 HA ASP 5 HA ASP 5 -12.258 -9.418 -2.711 35 HB2 ASP 5 HB2 ASP 5 -10.537 -7.147 -2.691 36 HB3 ASP 5 HB1 ASP 5 -10.600 -7.745 -4.350 37 H LYS 6 HN LYS 6 -8.863 -10.172 -2.924 38 HA LYS 6 HA LYS 6 -9.236 -11.418 -5.594 39 HB2 LYS 6 HB2 LYS 6 -7.210 -9.981 -5.030 40 HB3 LYS 6 HB1 LYS 6 -6.690 -11.303 -3.984 41 HG2 LYS 6 HG2 LYS 6 -7.336 -12.623 -6.318 42 HG3 LYS 6 HG1 LYS 6 -6.659 -11.113 -6.923 43 HD2 LYS 6 HD2 LYS 6 -4.763 -12.481 -6.709 44 HD3 LYS 6 HD1 LYS 6 -4.740 -11.561 -5.207 45 HE2 LYS 6 HE2 LYS 6 -6.271 -13.607 -4.395 46 HE3 LYS 6 HE1 LYS 6 -5.368 -14.440 -5.659 47 HZ1 LYS 6 HZ1 LYS 6 -4.145 -14.654 -3.662 48 HZ2 LYS 6 HZ2 LYS 6 -4.280 -12.999 -3.308 49 HZ3 LYS 6 HZ3 LYS 6 -3.317 -13.516 -4.609 50 H CYS 7 HN CYS 7 -8.009 -12.325 -2.367 51 HA CYS 7 HA CYS 7 -8.099 -15.157 -3.120 52 HB2 CYS 7 HB2 CYS 7 -7.595 -14.243 -0.316 53 HB3 CYS 7 HB1 CYS 7 -6.855 -15.571 -1.210 54 H GLY 8 HN GLY 8 -10.234 -12.918 -1.576 55 HA2 GLY 8 HA2 GLY 8 -12.398 -13.279 -0.729 56 HA3 GLY 8 HA1 GLY 8 -12.284 -14.932 -1.331 57 H LEU 9 HN LEU 9 -9.585 -14.553 0.499 58 HA LEU 9 HA LEU 9 -10.736 -16.072 2.725 59 HB2 LEU 9 HB2 LEU 9 -8.037 -15.392 1.729 60 HB3 LEU 9 HB1 LEU 9 -8.163 -15.489 3.485 61 HG LEU 9 HG LEU 9 -9.186 -17.735 3.284 62 HD11 LEU 9 HD11 LEU 9 -10.286 -17.820 1.229 63 HD12 LEU 9 HD12 LEU 9 -8.829 -18.752 0.880 64 HD13 LEU 9 HD13 LEU 9 -8.943 -17.069 0.367 65 HD21 LEU 9 HD21 LEU 9 -6.482 -17.001 2.502 66 HD22 LEU 9 HD22 LEU 9 -6.970 -18.523 1.756 67 HD23 LEU 9 HD23 LEU 9 -7.025 -18.344 3.509 68 HA PRO 10 HA PRO 10 -11.418 -12.655 5.415 69 HB2 PRO 10 HB2 PRO 10 -10.677 -13.616 7.854 70 HB3 PRO 10 HB1 PRO 10 -12.189 -14.039 7.031 71 HG2 PRO 10 HG2 PRO 10 -9.670 -15.594 7.273 72 HG3 PRO 10 HG1 PRO 10 -11.349 -16.158 7.249 73 HD2 PRO 10 HD2 PRO 10 -9.655 -16.315 5.080 74 HD3 PRO 10 HD1 PRO 10 -11.426 -16.242 4.948 75 H ILE 11 HN ILE 11 -10.047 -11.054 4.925 76 HA ILE 11 HA ILE 11 -7.272 -10.867 5.128 77 HB ILE 11 HB ILE 11 -9.354 -8.711 5.616 78 HG12 ILE 11 HG12 ILE 11 -7.809 -9.299 3.087 79 HG13 ILE 11 HG11 ILE 11 -9.378 -10.031 3.412 80 HG21 ILE 11 HG21 ILE 11 -7.038 -7.655 4.412 81 HG22 ILE 11 HG22 ILE 11 -6.471 -8.662 5.741 82 HG23 ILE 11 HG23 ILE 11 -7.615 -7.360 6.050 83 HD11 ILE 11 HD11 ILE 11 -9.228 -7.110 3.854 84 HD12 ILE 11 HD12 ILE 11 -10.503 -8.069 3.102 85 HD13 ILE 11 HD13 ILE 11 -9.068 -7.624 2.176 86 H LYS 12 HN LYS 12 -5.904 -10.939 6.808 87 HA LYS 12 HA LYS 12 -6.966 -10.700 9.566 88 HB2 LYS 12 HB2 LYS 12 -4.187 -11.428 8.574 89 HB3 LYS 12 HB1 LYS 12 -4.742 -11.524 10.245 90 HG2 LYS 12 HG2 LYS 12 -6.482 -13.152 9.557 91 HG3 LYS 12 HG1 LYS 12 -5.870 -13.087 7.903 92 HD2 LYS 12 HD2 LYS 12 -3.672 -13.559 9.692 93 HD3 LYS 12 HD1 LYS 12 -4.947 -14.729 10.031 94 HE2 LYS 12 HE2 LYS 12 -3.859 -14.140 7.264 95 HE3 LYS 12 HE1 LYS 12 -3.363 -15.507 8.260 96 HZ1 LYS 12 HZ1 LYS 12 -5.140 -16.621 7.597 97 HZ2 LYS 12 HZ2 LYS 12 -5.571 -15.333 6.577 98 HZ3 LYS 12 HZ3 LYS 12 -6.170 -15.399 8.164 99 H VAL 13 HN VAL 13 -4.962 -9.064 7.224 100 HA VAL 13 HA VAL 13 -4.836 -6.701 9.018 101 HB VAL 13 HB VAL 13 -2.507 -7.287 7.268 102 HG11 VAL 13 HG11 VAL 13 -2.786 -6.057 10.024 103 HG12 VAL 13 HG12 VAL 13 -2.717 -5.154 8.510 104 HG13 VAL 13 HG13 VAL 13 -1.316 -6.079 9.049 105 HG21 VAL 13 HG21 VAL 13 -2.691 -9.410 8.380 106 HG22 VAL 13 HG22 VAL 13 -3.066 -8.636 9.919 107 HG23 VAL 13 HG23 VAL 13 -1.445 -8.503 9.236 108 H TYR 14 HN TYR 14 -5.054 -4.747 7.818 109 HA TYR 14 HA TYR 14 -6.141 -5.135 5.140 110 HB2 TYR 14 HB2 TYR 14 -5.854 -2.827 7.000 111 HB3 TYR 14 HB1 TYR 14 -6.098 -2.502 5.288 112 HD1 TYR 14 HD1 TYR 14 -7.432 -5.385 7.255 113 HD2 TYR 14 HD2 TYR 14 -8.317 -1.710 5.237 114 HE1 TYR 14 HE1 TYR 14 -9.853 -5.841 7.495 115 HE2 TYR 14 HE2 TYR 14 -10.744 -2.155 5.479 116 HH TYR 14 HH TYR 14 -12.271 -3.777 5.961 117 H GLY 15 HN GLY 15 -4.650 -5.594 3.621 118 HA2 GLY 15 HA2 GLY 15 -2.029 -4.326 3.553 119 HA3 GLY 15 HA1 GLY 15 -2.700 -5.379 2.299 120 H ARG 16 HN ARG 16 -2.794 -2.150 3.628 121 HA ARG 16 HA ARG 16 -4.589 -1.008 1.710 122 HB2 ARG 16 HB2 ARG 16 -4.052 0.117 3.822 123 HB3 ARG 16 HB1 ARG 16 -2.379 0.315 3.307 124 HG2 ARG 16 HG2 ARG 16 -2.875 2.092 1.997 125 HG3 ARG 16 HG1 ARG 16 -4.313 1.308 1.340 126 HD2 ARG 16 HD2 ARG 16 -5.575 1.869 3.364 127 HD3 ARG 16 HD1 ARG 16 -4.138 2.601 4.077 128 HE ARG 16 HE ARG 16 -5.881 3.845 2.129 129 HH11 ARG 16 HH21 ARG 16 -2.630 3.502 3.226 130 HH12 ARG 16 HH22 ARG 16 -2.134 5.067 2.671 131 HH21 ARG 16 HH11 ARG 16 -5.252 5.899 1.408 132 HH22 ARG 16 HH12 ARG 16 -3.619 6.422 1.641 133 H MET 17 HN MET 17 -4.284 -0.363 -0.333 134 HA MET 17 HA MET 17 -1.493 -0.379 -1.422 135 HB2 MET 17 HB2 MET 17 -4.034 -0.834 -2.982 136 HB3 MET 17 HB1 MET 17 -2.377 -1.179 -3.470 137 HG2 MET 17 HG2 MET 17 -2.365 -2.697 -1.329 138 HG3 MET 17 HG1 MET 17 -4.114 -2.638 -1.522 139 HE1 MET 17 HE1 MET 17 -0.967 -4.275 -4.388 140 HE2 MET 17 HE2 MET 17 -0.903 -4.545 -2.652 141 HE3 MET 17 HE3 MET 17 -0.838 -2.903 -3.281 142 H ILE 18 HN ILE 18 -0.813 1.473 -2.364 143 HA ILE 18 HA ILE 18 -2.821 3.603 -2.945 144 HB ILE 18 HB ILE 18 -0.490 4.973 -2.723 145 HG12 ILE 18 HG12 ILE 18 -0.290 2.741 -0.695 146 HG13 ILE 18 HG11 ILE 18 0.705 2.888 -2.144 147 HG21 ILE 18 HG21 ILE 18 -2.616 5.445 -1.517 148 HG22 ILE 18 HG22 ILE 18 -1.227 5.557 -0.437 149 HG23 ILE 18 HG23 ILE 18 -2.259 4.127 -0.401 150 HD11 ILE 18 HD11 ILE 18 1.137 4.117 0.378 151 HD12 ILE 18 HD12 ILE 18 0.719 5.399 -0.760 152 HD13 ILE 18 HD13 ILE 18 2.078 4.327 -1.099 153 HA PRO 19 HA PRO 19 -2.412 5.707 -3.831 154 HB2 PRO 19 HB2 PRO 19 -3.265 6.978 -6.060 155 HB3 PRO 19 HB1 PRO 19 -1.592 7.111 -5.486 156 HG2 PRO 19 HG2 PRO 19 -2.704 5.508 -7.721 157 HG3 PRO 19 HG1 PRO 19 -1.143 6.334 -7.585 158 HD2 PRO 19 HD2 PRO 19 -1.551 3.594 -7.201 159 HD3 PRO 19 HD1 PRO 19 -0.136 4.508 -6.642 160 H CYS 20 HN CYS 20 -3.460 3.030 -5.441 161 HA CYS 20 HA CYS 20 -6.132 3.539 -6.198 162 HB2 CYS 20 HB2 CYS 20 -4.481 1.285 -5.910 163 HB3 CYS 20 HB1 CYS 20 -5.860 0.978 -4.855 164 H LYS 21 HN LYS 21 -4.728 2.893 -3.025 165 HA LYS 21 HA LYS 21 -5.600 3.359 -0.895 166 HB2 LYS 21 HB2 LYS 21 -6.879 5.202 -2.457 167 HB3 LYS 21 HB1 LYS 21 -8.251 4.243 -1.900 168 HG2 LYS 21 HG2 LYS 21 -7.587 4.582 0.429 169 HG3 LYS 21 HG1 LYS 21 -6.143 5.456 -0.085 170 HD2 LYS 21 HD2 LYS 21 -8.778 6.420 -1.105 171 HD3 LYS 21 HD1 LYS 21 -8.379 6.749 0.581 172 HE2 LYS 21 HE2 LYS 21 -6.560 8.089 0.034 173 HE3 LYS 21 HE1 LYS 21 -6.314 7.297 -1.522 174 HZ1 LYS 21 HZ1 LYS 21 -8.827 8.381 -1.660 175 HZ2 LYS 21 HZ2 LYS 21 -7.426 8.979 -2.409 176 HZ3 LYS 21 HZ3 LYS 21 -7.901 9.574 -0.891 177 H HIS 22 HN HIS 22 -6.034 0.944 -2.601 178 HA HIS 22 HA HIS 22 -8.631 -0.058 -1.580 179 HB2 HIS 22 HB2 HIS 22 -6.635 -1.075 -3.595 180 HB3 HIS 22 HB1 HIS 22 -7.885 -2.138 -2.943 181 HD2 HIS 22 HD2 HIS 22 -10.619 -0.918 -3.306 182 HE1 HIS 22 HE1 HIS 22 -9.383 1.164 -6.766 183 HE2 HIS 22 HE2 HIS 22 -11.392 0.411 -5.413 184 H VAL 23 HN VAL 23 -8.328 -2.608 -0.924 185 HA VAL 23 HA VAL 23 -5.914 -2.881 0.758 186 HB VAL 23 HB VAL 23 -7.005 -3.065 2.801 187 HG11 VAL 23 HG11 VAL 23 -8.464 -1.108 2.998 188 HG12 VAL 23 HG12 VAL 23 -8.690 -1.073 1.254 189 HG13 VAL 23 HG13 VAL 23 -7.103 -0.741 1.947 190 HG21 VAL 23 HG21 VAL 23 -9.414 -3.691 1.110 191 HG22 VAL 23 HG22 VAL 23 -9.614 -3.183 2.786 192 HG23 VAL 23 HG23 VAL 23 -8.698 -4.641 2.410 193 H PHE 24 HN PHE 24 -5.467 -5.012 1.417 194 HA PHE 24 HA PHE 24 -7.263 -7.219 0.706 195 HB2 PHE 24 HB2 PHE 24 -4.562 -7.096 -0.664 196 HB3 PHE 24 HB1 PHE 24 -5.841 -8.283 -0.919 197 HD1 PHE 24 HD2 PHE 24 -4.757 -4.836 -1.530 198 HD2 PHE 24 HD1 PHE 24 -7.821 -7.746 -2.235 199 HE1 PHE 24 HE2 PHE 24 -5.719 -3.384 -3.293 200 HE2 PHE 24 HE1 PHE 24 -8.787 -6.305 -4.004 201 HZ PHE 24 HZ PHE 24 -7.736 -4.120 -4.543 202 H CYS 25 HN CYS 25 -6.088 -9.382 1.348 203 HA CYS 25 HA CYS 25 -5.041 -9.091 3.968 204 HB2 CYS 25 HB2 CYS 25 -4.043 -11.359 2.280 205 HB3 CYS 25 HB1 CYS 25 -4.564 -11.370 3.961 206 H TYR 26 HN TYR 26 -3.237 -8.015 4.534 207 HA TYR 26 HA TYR 26 -1.255 -7.099 2.788 208 HB2 TYR 26 HB2 TYR 26 -1.578 -6.331 5.145 209 HB3 TYR 26 HB1 TYR 26 -0.862 -7.841 5.697 210 HD1 TYR 26 HD1 TYR 26 0.008 -5.241 3.077 211 HD2 TYR 26 HD2 TYR 26 1.329 -7.618 6.409 212 HE1 TYR 26 HE1 TYR 26 2.261 -4.256 2.888 213 HE2 TYR 26 HE2 TYR 26 3.588 -6.629 6.209 214 HH TYR 26 HH TYR 26 4.274 -4.073 3.836 215 H ASP 27 HN ASP 27 -1.838 -10.300 3.727 216 HA ASP 27 HA ASP 27 0.913 -11.228 3.510 217 HB2 ASP 27 HB2 ASP 27 -1.624 -12.357 4.235 218 HB3 ASP 27 HB1 ASP 27 -0.904 -13.352 2.968 219 H CYS 28 HN CYS 28 -1.944 -11.299 1.388 220 HA CYS 28 HA CYS 28 -0.361 -12.380 -0.812 221 HB2 CYS 28 HB2 CYS 28 -2.978 -11.031 -1.326 222 HB3 CYS 28 HB1 CYS 28 -2.354 -12.544 -1.980 223 H ALA 29 HN ALA 29 -1.154 -9.272 0.460 224 HA ALA 29 HA ALA 29 -0.681 -7.744 -1.921 225 HB1 ALA 29 HB1 ALA 29 -1.753 -7.117 0.442 226 HB2 ALA 29 HB2 ALA 29 -0.949 -5.890 -0.533 227 HB3 ALA 29 HB3 ALA 29 -0.093 -6.653 0.807 228 H ILE 30 HN ILE 30 1.377 -8.959 0.710 229 HA ILE 30 HA ILE 30 3.710 -7.577 -0.361 230 HB ILE 30 HB ILE 30 4.952 -8.703 1.388 231 HG12 ILE 30 HG12 ILE 30 2.435 -10.217 2.086 232 HG13 ILE 30 HG11 ILE 30 3.747 -10.941 1.167 233 HG21 ILE 30 HG21 ILE 30 2.958 -8.244 3.244 234 HG22 ILE 30 HG22 ILE 30 2.457 -7.266 1.869 235 HG23 ILE 30 HG23 ILE 30 4.048 -7.030 2.584 236 HD11 ILE 30 HD11 ILE 30 5.303 -10.340 3.043 237 HD12 ILE 30 HD12 ILE 30 4.069 -11.519 3.487 238 HD13 ILE 30 HD13 ILE 30 3.894 -9.833 3.976 239 H LEU 31 HN LEU 31 2.263 -10.787 -0.573 240 HA LEU 31 HA LEU 31 4.549 -12.009 -1.865 241 HB2 LEU 31 HB2 LEU 31 1.602 -12.699 -1.950 242 HB3 LEU 31 HB1 LEU 31 2.838 -13.670 -2.736 243 HG LEU 31 HG LEU 31 3.106 -12.965 0.179 244 HD11 LEU 31 HD11 LEU 31 1.170 -14.831 -1.083 245 HD12 LEU 31 HD12 LEU 31 1.092 -14.015 0.478 246 HD13 LEU 31 HD13 LEU 31 2.076 -15.465 0.291 247 HD21 LEU 31 HD21 LEU 31 4.766 -14.528 0.162 248 HD22 LEU 31 HD22 LEU 31 4.750 -14.294 -1.584 249 HD23 LEU 31 HD23 LEU 31 3.849 -15.626 -0.865 250 H HIS 32 HN HIS 32 2.033 -9.855 -2.905 251 HA HIS 32 HA HIS 32 2.483 -10.385 -5.757 252 HB2 HIS 32 HB2 HIS 32 0.654 -8.727 -4.133 253 HB3 HIS 32 HB1 HIS 32 1.149 -7.993 -5.658 254 HD1 HIS 32 HD1 HIS 32 0.076 -8.877 -7.763 255 HD2 HIS 32 HD2 HIS 32 -0.572 -11.389 -4.496 256 HE1 HIS 32 HE1 HIS 32 -1.548 -10.661 -8.540 257 HE2 HIS 32 HE2 HIS 32 -1.949 -12.194 -6.560 258 H GLU 33 HN GLU 33 3.458 -8.072 -3.294 259 HA GLU 33 HA GLU 33 4.864 -6.348 -5.184 260 HB2 GLU 33 HB2 GLU 33 4.533 -4.981 -3.413 261 HB3 GLU 33 HB1 GLU 33 4.167 -6.341 -2.360 262 HG2 GLU 33 HG2 GLU 33 6.523 -6.700 -1.901 263 HG3 GLU 33 HG1 GLU 33 6.982 -5.473 -3.090 264 H LYS 34 HN LYS 34 5.608 -9.163 -3.243 265 HA LYS 34 HA LYS 34 8.502 -8.830 -3.540 266 HB2 LYS 34 HB2 LYS 34 6.743 -11.018 -2.419 267 HB3 LYS 34 HB1 LYS 34 8.490 -11.210 -2.578 268 HG2 LYS 34 HG2 LYS 34 8.894 -9.300 -1.145 269 HG3 LYS 34 HG1 LYS 34 7.173 -8.913 -1.103 270 HD2 LYS 34 HD2 LYS 34 6.664 -10.703 0.294 271 HD3 LYS 34 HD1 LYS 34 8.072 -11.634 -0.219 272 HE2 LYS 34 HE2 LYS 34 8.155 -10.585 2.136 273 HE3 LYS 34 HE1 LYS 34 9.554 -10.332 1.093 274 HZ1 LYS 34 HZ1 LYS 34 9.224 -8.185 1.547 275 HZ2 LYS 34 HZ2 LYS 34 7.632 -8.429 2.088 276 HZ3 LYS 34 HZ3 LYS 34 7.953 -8.272 0.428 277 H LYS 35 HN LYS 35 5.898 -10.672 -5.043 278 HA LYS 35 HA LYS 35 7.670 -12.275 -6.677 279 HB2 LYS 35 HB2 LYS 35 4.716 -11.647 -6.932 280 HB3 LYS 35 HB1 LYS 35 5.571 -12.817 -7.938 281 HG2 LYS 35 HG2 LYS 35 5.847 -13.058 -4.971 282 HG3 LYS 35 HG1 LYS 35 4.326 -13.570 -5.705 283 HD2 LYS 35 HD2 LYS 35 5.550 -15.056 -7.235 284 HD3 LYS 35 HD1 LYS 35 7.081 -14.531 -6.533 285 HE2 LYS 35 HE2 LYS 35 5.083 -15.483 -4.574 286 HE3 LYS 35 HE1 LYS 35 5.684 -16.719 -5.680 287 HZ1 LYS 35 HZ1 LYS 35 7.614 -16.757 -4.620 288 HZ2 LYS 35 HZ2 LYS 35 6.954 -15.725 -3.443 289 HZ3 LYS 35 HZ3 LYS 35 7.804 -15.077 -4.763 290 H GLY 36 HN GLY 36 6.774 -9.027 -6.755 291 HA2 GLY 36 HA2 GLY 36 7.568 -7.408 -8.312 292 HA3 GLY 36 HA1 GLY 36 7.991 -8.715 -9.417 293 H ASP 37 HN ASP 37 4.824 -8.384 -7.902 294 HA ASP 37 HA ASP 37 3.566 -8.430 -10.537 295 HB2 ASP 37 HB2 ASP 37 2.279 -8.049 -7.820 296 HB3 ASP 37 HB1 ASP 37 1.466 -8.511 -9.316 297 H LYS 38 HN LYS 38 3.838 -6.088 -7.870 298 HA LYS 38 HA LYS 38 3.329 -3.802 -7.807 299 HB2 LYS 38 HB2 LYS 38 4.502 -4.132 -10.568 300 HB3 LYS 38 HB1 LYS 38 4.269 -2.578 -9.760 301 HG2 LYS 38 HG2 LYS 38 5.750 -3.130 -8.010 302 HG3 LYS 38 HG1 LYS 38 5.747 -4.839 -8.434 303 HD2 LYS 38 HD2 LYS 38 6.872 -2.640 -10.204 304 HD3 LYS 38 HD1 LYS 38 7.848 -3.653 -9.143 305 HE2 LYS 38 HE2 LYS 38 6.480 -5.576 -10.483 306 HE3 LYS 38 HE1 LYS 38 6.535 -4.323 -11.721 307 HZ1 LYS 38 HZ1 LYS 38 8.684 -4.686 -12.049 308 HZ2 LYS 38 HZ2 LYS 38 8.543 -6.072 -11.075 309 HZ3 LYS 38 HZ3 LYS 38 9.038 -4.597 -10.392 310 H MET 39 HN MET 39 1.145 -5.285 -8.300 311 HA MET 39 HA MET 39 -0.468 -3.433 -9.943 312 HB2 MET 39 HB2 MET 39 -1.439 -5.094 -11.317 313 HB3 MET 39 HB1 MET 39 0.278 -5.499 -11.316 314 HG2 MET 39 HG2 MET 39 -0.304 -6.989 -9.267 315 HG3 MET 39 HG1 MET 39 -1.970 -6.834 -9.820 316 HE1 MET 39 HE1 MET 39 -2.646 -9.085 -10.535 317 HE2 MET 39 HE2 MET 39 -2.403 -9.453 -12.240 318 HE3 MET 39 HE3 MET 39 -2.993 -7.862 -11.766 319 H CYS 40 HN CYS 40 -2.514 -3.133 -9.076 320 HA CYS 40 HA CYS 40 -3.033 -4.109 -6.409 321 HB2 CYS 40 HB2 CYS 40 -3.833 -1.918 -7.198 322 HB3 CYS 40 HB1 CYS 40 -4.868 -2.717 -8.378 323 HA PRO 41 HA PRO 41 -4.640 -8.128 -7.940 324 HB2 PRO 41 HB2 PRO 41 -5.848 -8.106 -5.207 325 HB3 PRO 41 HB1 PRO 41 -4.957 -9.397 -6.035 326 HG2 PRO 41 HG2 PRO 41 -3.836 -7.947 -4.114 327 HG3 PRO 41 HG1 PRO 41 -2.913 -8.496 -5.524 328 HD2 PRO 41 HD2 PRO 41 -3.907 -5.769 -4.876 329 HD3 PRO 41 HD1 PRO 41 -2.477 -6.259 -5.804 330 H GLY 42 HN GLY 42 -6.359 -5.390 -6.754 331 HA2 GLY 42 HA2 GLY 42 -8.993 -6.543 -7.525 332 HA3 GLY 42 HA1 GLY 42 -8.755 -5.041 -6.632 333 H CYS 43 HN CYS 43 -7.369 -3.379 -7.997 334 HA CYS 43 HA CYS 43 -8.824 -3.086 -10.540 335 HB2 CYS 43 HB2 CYS 43 -6.815 -1.124 -9.455 336 HB3 CYS 43 HB1 CYS 43 -8.217 -0.812 -10.479 337 H SER 44 HN SER 44 -5.665 -3.959 -9.430 338 HA SER 44 HA SER 44 -3.848 -4.802 -10.668 339 HB2 SER 44 HB2 SER 44 -4.250 -5.615 -12.775 340 HB3 SER 44 HB1 SER 44 -5.924 -5.332 -12.308 341 HG SER 44 HG SER 44 -6.023 -3.798 -13.738 342 H ASP 45 HN ASP 45 -4.096 -2.036 -9.853 343 HA ASP 45 HA ASP 45 -2.777 -0.582 -12.083 344 HB2 ASP 45 HB2 ASP 45 -4.494 0.194 -9.825 345 HB3 ASP 45 HB1 ASP 45 -3.094 1.244 -10.048 346 HA PRO 46 HA PRO 46 1.218 -0.841 -10.246 347 HB2 PRO 46 HB2 PRO 46 2.031 1.836 -10.326 348 HB3 PRO 46 HB1 PRO 46 2.172 0.675 -11.656 349 HG2 PRO 46 HG2 PRO 46 0.141 2.786 -11.195 350 HG3 PRO 46 HG1 PRO 46 0.840 2.196 -12.714 351 HD2 PRO 46 HD2 PRO 46 -1.659 1.499 -11.919 352 HD3 PRO 46 HD1 PRO 46 -0.621 0.391 -12.843 353 H VAL 47 HN VAL 47 0.350 -1.344 -8.079 354 HA VAL 47 HA VAL 47 -0.445 0.582 -6.172 355 HB VAL 47 HB VAL 47 -0.033 -1.052 -4.490 356 HG11 VAL 47 HG11 VAL 47 -1.708 -2.273 -5.360 357 HG12 VAL 47 HG12 VAL 47 -0.564 -3.128 -6.386 358 HG13 VAL 47 HG13 VAL 47 -1.336 -1.654 -6.958 359 HG21 VAL 47 HG21 VAL 47 1.248 -3.205 -5.370 360 HG22 VAL 47 HG22 VAL 47 2.135 -1.842 -4.691 361 HG23 VAL 47 HG23 VAL 47 2.015 -2.034 -6.442 362 H GLN 48 HN GLN 48 0.757 2.424 -5.922 363 HA GLN 48 HA GLN 48 3.478 2.812 -6.312 364 HB2 GLN 48 HB2 GLN 48 2.078 4.728 -5.906 365 HB3 GLN 48 HB1 GLN 48 1.616 4.123 -4.314 366 HG2 GLN 48 HG2 GLN 48 3.567 4.808 -3.341 367 HG3 GLN 48 HG1 GLN 48 4.530 4.435 -4.772 368 HE21 GLN 48 HE21 GLN 48 4.158 6.011 -6.690 369 HE22 GLN 48 HE22 GLN 48 3.907 7.646 -6.305 370 H ARG 49 HN ARG 49 1.879 2.109 -3.210 371 HA ARG 49 HA ARG 49 4.088 0.366 -2.498 372 HB2 ARG 49 HB2 ARG 49 5.364 1.834 -1.374 373 HB3 ARG 49 HB1 ARG 49 4.238 3.124 -1.772 374 HG2 ARG 49 HG2 ARG 49 2.885 2.570 0.219 375 HG3 ARG 49 HG1 ARG 49 4.003 1.259 0.614 376 HD2 ARG 49 HD2 ARG 49 4.921 4.117 0.287 377 HD3 ARG 49 HD1 ARG 49 4.381 3.472 1.837 378 HE ARG 49 HE ARG 49 6.381 1.757 0.655 379 HH11 ARG 49 HH21 ARG 49 5.835 4.740 2.296 380 HH12 ARG 49 HH22 ARG 49 7.406 4.780 3.024 381 HH21 ARG 49 HH11 ARG 49 8.435 1.792 1.596 382 HH22 ARG 49 HH12 ARG 49 8.878 3.112 2.628 383 H ILE 50 HN ILE 50 3.400 -1.164 -1.045 384 HA ILE 50 HA ILE 50 0.597 -0.970 -0.208 385 HB ILE 50 HB ILE 50 2.382 -3.244 0.574 386 HG12 ILE 50 HG12 ILE 50 1.224 -2.791 -2.193 387 HG13 ILE 50 HG11 ILE 50 2.933 -2.806 -1.780 388 HG21 ILE 50 HG21 ILE 50 -0.336 -3.571 -0.584 389 HG22 ILE 50 HG22 ILE 50 -0.235 -2.778 0.989 390 HG23 ILE 50 HG23 ILE 50 0.418 -4.397 0.777 391 HD11 ILE 50 HD11 ILE 50 2.305 -4.979 -2.698 392 HD12 ILE 50 HD12 ILE 50 1.025 -5.140 -1.503 393 HD13 ILE 50 HD13 ILE 50 2.708 -5.149 -0.991 394 H GLU 51 HN GLU 51 -0.069 -0.989 1.908 395 HA GLU 51 HA GLU 51 2.006 -0.804 4.024 396 HB2 GLU 51 HB2 GLU 51 -0.279 1.164 3.829 397 HB3 GLU 51 HB1 GLU 51 1.090 1.210 4.943 398 HG2 GLU 51 HG2 GLU 51 2.621 1.387 2.980 399 HG3 GLU 51 HG1 GLU 51 1.207 1.493 1.932 400 H GLN 52 HN GLN 52 1.231 -1.314 6.121 401 HA GLN 52 HA GLN 52 -1.154 -3.067 6.047 402 HB2 GLN 52 HB2 GLN 52 -0.246 -4.210 7.876 403 HB3 GLN 52 HB1 GLN 52 1.196 -3.725 6.985 404 HG2 GLN 52 HG2 GLN 52 1.149 -1.599 8.465 405 HG3 GLN 52 HG1 GLN 52 0.045 -2.511 9.495 406 HE21 GLN 52 HE21 GLN 52 0.899 -4.714 10.251 407 HE22 GLN 52 HE22 GLN 52 2.567 -4.864 10.524 408 H CYS 53 HN CYS 53 -2.967 -2.683 7.283 409 HA CYS 53 HA CYS 53 -2.911 -0.439 9.225 410 HB2 CYS 53 HB2 CYS 53 -4.166 -0.379 6.605 411 HB3 CYS 53 HB1 CYS 53 -5.353 -0.147 7.889 412 H THR 54 HN THR 54 -4.855 -0.437 10.628 413 HA THR 54 HA THR 54 -5.639 -3.173 11.293 414 HB THR 54 HB THR 54 -7.194 -1.343 12.786 415 HG1 THR 54 HG1 THR 54 -5.323 0.002 11.729 416 HG21 THR 54 HG21 THR 54 -4.572 -2.725 13.421 417 HG22 THR 54 HG22 THR 54 -6.184 -3.409 13.631 418 HG23 THR 54 HG23 THR 54 -5.673 -2.038 14.615 419 H ARG 55 HN ARG 55 -7.912 -3.839 11.452 420 HA ARG 55 HA ARG 55 -9.398 -3.438 9.107 421 HB2 ARG 55 HB2 ARG 55 -10.551 -4.129 11.822 422 HB3 ARG 55 HB1 ARG 55 -11.255 -4.511 10.250 423 HG2 ARG 55 HG2 ARG 55 -9.154 -5.827 9.735 424 HG3 ARG 55 HG1 ARG 55 -8.684 -5.601 11.420 425 HD2 ARG 55 HD2 ARG 55 -9.823 -7.757 11.151 426 HD3 ARG 55 HD1 ARG 55 -10.804 -6.674 12.139 427 HE ARG 55 HE ARG 55 -11.461 -6.586 9.288 428 HH11 ARG 55 HH21 ARG 55 -11.954 -8.068 12.362 429 HH12 ARG 55 HH22 ARG 55 -13.536 -8.657 11.974 430 HH21 ARG 55 HH11 ARG 55 -13.525 -7.344 8.763 431 HH22 ARG 55 HH12 ARG 55 -14.426 -8.246 9.937 432 H GLY 56 HN GLY 56 -10.605 -2.260 12.256 433 HA2 GLY 56 HA2 GLY 56 -12.272 -0.284 10.980 434 HA3 GLY 56 HA1 GLY 56 -11.945 -0.383 12.709 435 H SER 57 HN SER 57 -9.353 -0.104 10.327 436 HA SER 57 HA SER 57 -8.509 2.386 11.647 437 HB2 SER 57 HB2 SER 57 -6.890 0.560 11.002 438 HB3 SER 57 HB1 SER 57 -7.212 0.947 9.315 439 HG SER 57 HG SER 57 -6.668 3.202 10.083 440 H LEU 58 HN LEU 58 -9.894 1.328 8.603 441 HA LEU 58 HA LEU 58 -9.704 4.086 7.520 442 HB2 LEU 58 HB2 LEU 58 -10.946 1.828 6.002 443 HB3 LEU 58 HB1 LEU 58 -10.007 3.195 5.410 444 HG LEU 58 HG LEU 58 -8.918 0.813 6.939 445 HD11 LEU 58 HD11 LEU 58 -7.676 0.475 4.772 446 HD12 LEU 58 HD12 LEU 58 -8.676 1.743 4.064 447 HD13 LEU 58 HD13 LEU 58 -9.421 0.253 4.638 448 HD21 LEU 58 HD21 LEU 58 -7.775 3.469 6.149 449 HD22 LEU 58 HD22 LEU 58 -6.729 2.052 6.060 450 HD23 LEU 58 HD23 LEU 58 -7.469 2.508 7.593 451 H PHE 59 HN PHE 59 -11.787 4.724 6.236 452 HA PHE 59 HA PHE 59 -14.165 4.130 7.953 453 HB2 PHE 59 HB2 PHE 59 -13.553 6.694 6.460 454 HB3 PHE 59 HB1 PHE 59 -14.922 6.408 7.538 455 HD1 PHE 59 HD2 PHE 59 -11.180 6.387 7.458 456 HD2 PHE 59 HD1 PHE 59 -14.727 6.833 9.839 457 HE1 PHE 59 HE2 PHE 59 -9.791 7.046 9.404 458 HE2 PHE 59 HE1 PHE 59 -13.337 7.491 11.785 459 HZ PHE 59 HZ PHE 59 -10.869 7.598 11.567 460 H MET 60 HN MET 60 -15.633 2.953 6.838 461 HA MET 60 HA MET 60 -15.534 2.787 3.925 462 HB2 MET 60 HB2 MET 60 -16.992 1.426 6.124 463 HB3 MET 60 HB1 MET 60 -17.806 1.469 4.559 464 HG2 MET 60 HG2 MET 60 -16.078 0.292 3.485 465 HG3 MET 60 HG1 MET 60 -14.909 0.669 4.751 466 HE1 MET 60 HE1 MET 60 -14.028 -1.616 5.715 467 HE2 MET 60 HE2 MET 60 -14.508 -1.837 4.035 468 HE3 MET 60 HE3 MET 60 -14.935 -3.056 5.233 469 H CYS 61 HN CYS 61 -17.053 3.560 2.463 470 HA CYS 61 HA CYS 61 -18.899 5.671 3.496 471 HB2 CYS 61 HB2 CYS 61 -18.015 6.885 1.812 472 HB3 CYS 61 HB1 CYS 61 -17.135 5.483 1.207 473 H SER 62 HN SER 62 -21.103 5.541 3.031 474 HA SER 62 HA SER 62 -22.040 3.290 1.322 475 HB2 SER 62 HB2 SER 62 -22.562 3.680 4.243 476 HB3 SER 62 HB1 SER 62 -23.864 3.049 3.240 477 HG SER 62 HG SER 62 -21.453 1.893 2.704 478 H ILE 63 HN ILE 63 -22.422 5.257 -0.050 479 HA ILE 63 HA ILE 63 -24.682 6.961 0.838 480 HB ILE 63 HB ILE 63 -23.209 7.093 -1.800 481 HG12 ILE 63 HG12 ILE 63 -21.496 7.210 -0.108 482 HG13 ILE 63 HG11 ILE 63 -21.812 8.858 -0.643 483 HG21 ILE 63 HG21 ILE 63 -25.434 8.430 -0.873 484 HG22 ILE 63 HG22 ILE 63 -24.347 9.028 -2.126 485 HG23 ILE 63 HG23 ILE 63 -24.131 9.539 -0.453 486 HD11 ILE 63 HD11 ILE 63 -23.503 8.955 1.321 487 HD12 ILE 63 HD12 ILE 63 -21.788 9.029 1.715 488 HD13 ILE 63 HD13 ILE 63 -22.673 7.520 1.919 489 H VAL 64 HN VAL 64 -23.938 5.435 -2.313 490 HA VAL 64 HA VAL 64 -26.623 4.164 -2.283 491 HB VAL 64 HB VAL 64 -27.341 5.156 -4.302 492 HG11 VAL 64 HG11 VAL 64 -25.802 7.378 -2.934 493 HG12 VAL 64 HG12 VAL 64 -27.309 6.710 -2.309 494 HG13 VAL 64 HG13 VAL 64 -27.289 7.531 -3.870 495 HG21 VAL 64 HG21 VAL 64 -25.625 6.754 -5.495 496 HG22 VAL 64 HG22 VAL 64 -25.517 5.014 -5.761 497 HG23 VAL 64 HG23 VAL 64 -24.423 5.802 -4.626 498 H GLN 65 HN GLN 65 -26.781 2.906 -4.557 499 HA GLN 65 HA GLN 65 -25.948 0.990 -5.641 500 HB2 GLN 65 HB2 GLN 65 -24.915 2.805 -6.974 501 HB3 GLN 65 HB1 GLN 65 -23.529 2.805 -5.882 502 HG2 GLN 65 HG2 GLN 65 -22.602 1.070 -6.973 503 HG3 GLN 65 HG1 GLN 65 -24.072 0.114 -6.778 504 HE21 GLN 65 HE21 GLN 65 -25.800 0.435 -8.459 505 HE22 GLN 65 HE22 GLN 65 -25.357 0.953 -10.014 506 H GLY 66 HN GLY 66 -22.644 1.380 -5.141 507 HA2 GLY 66 HA2 GLY 66 -22.608 -0.093 -2.575 508 HA3 GLY 66 HA1 GLY 66 -21.944 -0.929 -3.979 509 H CYS 67 HN CYS 67 -21.682 2.552 -3.521 510 HA CYS 67 HA CYS 67 -18.966 2.763 -4.105 511 HB2 CYS 67 HB2 CYS 67 -20.617 4.662 -3.707 512 HB3 CYS 67 HB1 CYS 67 -20.319 4.444 -1.984 513 H LYS 68 HN LYS 68 -17.107 2.225 -3.051 514 HA LYS 68 HA LYS 68 -17.227 1.676 -0.122 515 HB2 LYS 68 HB2 LYS 68 -16.261 -0.176 -2.303 516 HB3 LYS 68 HB1 LYS 68 -15.668 -0.318 -0.647 517 HG2 LYS 68 HG2 LYS 68 -18.622 -0.132 -1.062 518 HG3 LYS 68 HG1 LYS 68 -17.826 -1.655 -1.458 519 HD2 LYS 68 HD2 LYS 68 -17.145 -2.029 0.738 520 HD3 LYS 68 HD1 LYS 68 -17.206 -0.316 1.155 521 HE2 LYS 68 HE2 LYS 68 -19.088 -1.877 2.055 522 HE3 LYS 68 HE1 LYS 68 -19.547 -0.321 1.364 523 HZ1 LYS 68 HZ1 LYS 68 -19.395 -2.750 -0.307 524 HZ2 LYS 68 HZ2 LYS 68 -20.244 -1.307 -0.601 525 HZ3 LYS 68 HZ3 LYS 68 -20.792 -2.391 0.587 526 H ARG 69 HN ARG 69 -16.184 3.995 -1.416 527 HA ARG 69 HA ARG 69 -13.289 3.652 -1.679 528 HB2 ARG 69 HB2 ARG 69 -14.975 6.167 -1.502 529 HB3 ARG 69 HB1 ARG 69 -13.265 6.111 -1.933 530 HG2 ARG 69 HG2 ARG 69 -14.489 4.225 -3.610 531 HG3 ARG 69 HG1 ARG 69 -15.591 5.602 -3.600 532 HD2 ARG 69 HD2 ARG 69 -13.568 7.079 -4.042 533 HD3 ARG 69 HD1 ARG 69 -12.650 5.599 -4.322 534 HE ARG 69 HE ARG 69 -15.101 5.763 -5.906 535 HH11 ARG 69 HH21 ARG 69 -11.761 6.569 -5.615 536 HH12 ARG 69 HH22 ARG 69 -11.508 6.705 -7.322 537 HH21 ARG 69 HH11 ARG 69 -14.790 5.936 -8.137 538 HH22 ARG 69 HH12 ARG 69 -13.223 6.347 -8.750 539 H THR 70 HN THR 70 -12.319 3.062 0.244 540 HA THR 70 HA THR 70 -13.193 4.204 2.783 541 HB THR 70 HB THR 70 -10.713 3.030 3.221 542 HG1 THR 70 HG1 THR 70 -10.509 2.142 1.256 543 HG21 THR 70 HG21 THR 70 -13.489 1.823 3.276 544 HG22 THR 70 HG22 THR 70 -12.689 2.681 4.592 545 HG23 THR 70 HG23 THR 70 -12.074 1.117 4.058 546 H TYR 71 HN TYR 71 -11.294 5.050 4.251 547 HA TYR 71 HA TYR 71 -9.261 6.606 2.856 548 HB2 TYR 71 HB2 TYR 71 -11.611 7.954 4.213 549 HB3 TYR 71 HB1 TYR 71 -10.099 8.785 3.843 550 HD1 TYR 71 HD1 TYR 71 -9.349 9.047 1.486 551 HD2 TYR 71 HD2 TYR 71 -13.179 7.374 2.477 552 HE1 TYR 71 HE1 TYR 71 -10.100 9.379 -0.855 553 HE2 TYR 71 HE2 TYR 71 -13.930 7.707 0.137 554 HH TYR 71 HH TYR 71 -12.021 8.110 -2.363 555 H LEU 72 HN LEU 72 -8.550 8.330 4.892 556 HA LEU 72 HA LEU 72 -8.101 6.487 7.202 557 HB2 LEU 72 HB2 LEU 72 -6.114 8.595 6.942 558 HB3 LEU 72 HB1 LEU 72 -5.881 6.853 7.074 559 HG LEU 72 HG LEU 72 -6.603 8.332 4.522 560 HD11 LEU 72 HD11 LEU 72 -4.016 6.934 5.237 561 HD12 LEU 72 HD12 LEU 72 -4.259 8.667 5.450 562 HD13 LEU 72 HD13 LEU 72 -4.338 7.957 3.838 563 HD21 LEU 72 HD21 LEU 72 -5.520 5.688 4.173 564 HD22 LEU 72 HD22 LEU 72 -7.092 6.299 3.665 565 HD23 LEU 72 HD23 LEU 72 -6.895 5.595 5.269 566 H SER 73 HN SER 73 -9.534 9.350 6.224 567 HA SER 73 HA SER 73 -9.821 10.180 9.055 568 HB2 SER 73 HB2 SER 73 -9.119 12.205 6.920 569 HB3 SER 73 HB1 SER 73 -9.194 12.453 8.662 570 HG SER 73 HG SER 73 -7.073 11.939 7.377 571 H GLN 74 HN GLN 74 -11.945 10.616 9.419 572 HA GLN 74 HA GLN 74 -13.987 10.281 7.552 573 HB2 GLN 74 HB2 GLN 74 -14.069 10.737 10.150 574 HB3 GLN 74 HB1 GLN 74 -14.295 12.412 9.646 575 HG2 GLN 74 HG2 GLN 74 -16.501 11.678 9.717 576 HG3 GLN 74 HG1 GLN 74 -16.099 11.363 8.029 577 HE21 GLN 74 HE21 GLN 74 -15.322 9.061 7.545 578 HE22 GLN 74 HE22 GLN 74 -15.965 7.794 8.474 579 H ARG 75 HN ARG 75 -11.887 13.020 8.011 580 HA ARG 75 HA ARG 75 -13.437 14.985 6.607 581 HB2 ARG 75 HB2 ARG 75 -11.439 15.432 8.073 582 HB3 ARG 75 HB1 ARG 75 -10.421 14.760 6.800 583 HG2 ARG 75 HG2 ARG 75 -11.998 16.576 5.431 584 HG3 ARG 75 HG1 ARG 75 -11.703 17.385 6.967 585 HD2 ARG 75 HD2 ARG 75 -9.239 16.775 6.653 586 HD3 ARG 75 HD1 ARG 75 -9.663 16.351 4.993 587 HE ARG 75 HE ARG 75 -10.638 18.982 5.586 588 HH11 ARG 75 HH21 ARG 75 -7.772 17.149 5.032 589 HH12 ARG 75 HH22 ARG 75 -6.880 18.487 4.388 590 HH21 ARG 75 HH11 ARG 75 -9.493 20.739 4.749 591 HH22 ARG 75 HH12 ARG 75 -7.855 20.521 4.228 592 H ASP 76 HN ASP 76 -11.269 12.436 5.568 593 HA ASP 76 HA ASP 76 -11.170 13.410 2.806 594 HB2 ASP 76 HB2 ASP 76 -10.025 11.084 4.308 595 HB3 ASP 76 HB1 ASP 76 -10.151 10.975 2.552 596 H LEU 77 HN LEU 77 -12.874 11.008 4.704 597 HA LEU 77 HA LEU 77 -14.182 9.789 2.418 598 HB2 LEU 77 HB2 LEU 77 -13.888 8.466 4.430 599 HB3 LEU 77 HB1 LEU 77 -14.692 9.695 5.404 600 HG LEU 77 HG LEU 77 -16.306 8.786 3.128 601 HD11 LEU 77 HD11 LEU 77 -15.160 6.670 3.654 602 HD12 LEU 77 HD12 LEU 77 -16.855 6.605 4.136 603 HD13 LEU 77 HD13 LEU 77 -15.602 6.852 5.350 604 HD21 LEU 77 HD21 LEU 77 -16.887 8.736 6.098 605 HD22 LEU 77 HD22 LEU 77 -18.043 8.876 4.773 606 HD23 LEU 77 HD23 LEU 77 -16.963 10.219 5.147 607 H GLN 78 HN GLN 78 -14.827 12.332 4.776 608 HA GLN 78 HA GLN 78 -17.558 12.743 3.950 609 HB2 GLN 78 HB2 GLN 78 -16.385 13.704 6.051 610 HB3 GLN 78 HB1 GLN 78 -15.751 14.936 4.961 611 HG2 GLN 78 HG2 GLN 78 -18.671 14.282 5.392 612 HG3 GLN 78 HG1 GLN 78 -17.825 15.679 6.049 613 HE21 GLN 78 HE21 GLN 78 -19.558 14.503 3.308 614 HE22 GLN 78 HE22 GLN 78 -19.240 15.810 2.273 615 H ALA 79 HN ALA 79 -14.443 13.917 3.071 616 HA ALA 79 HA ALA 79 -15.293 15.800 1.080 617 HB1 ALA 79 HB1 ALA 79 -12.969 15.749 0.317 618 HB2 ALA 79 HB2 ALA 79 -12.676 14.279 1.245 619 HB3 ALA 79 HB3 ALA 79 -13.008 15.797 2.078 620 H HIS 80 HN HIS 80 -15.068 12.338 1.200 621 HA HIS 80 HA HIS 80 -14.849 12.033 -1.691 622 HB2 HIS 80 HB2 HIS 80 -14.121 10.149 -0.439 623 HB3 HIS 80 HB1 HIS 80 -15.605 10.103 0.502 624 HD1 HIS 80 HD1 HIS 80 -14.306 9.390 -2.976 625 HD2 HIS 80 HD2 HIS 80 -17.735 8.739 -0.705 626 HE1 HIS 80 HE1 HIS 80 -15.770 7.818 -4.320 627 H ILE 81 HN ILE 81 -17.466 12.062 0.650 628 HA ILE 81 HA ILE 81 -19.608 11.401 -1.098 629 HB ILE 81 HB ILE 81 -19.993 13.477 1.011 630 HG12 ILE 81 HG12 ILE 81 -18.444 11.999 2.065 631 HG13 ILE 81 HG11 ILE 81 -20.031 11.688 2.742 632 HG21 ILE 81 HG21 ILE 81 -21.531 10.985 0.253 633 HG22 ILE 81 HG22 ILE 81 -21.915 12.626 -0.264 634 HG23 ILE 81 HG23 ILE 81 -22.037 12.185 1.439 635 HD11 ILE 81 HD11 ILE 81 -19.575 9.515 2.294 636 HD12 ILE 81 HD12 ILE 81 -18.271 9.927 1.187 637 HD13 ILE 81 HD13 ILE 81 -19.940 9.928 0.621 638 H ASN 82 HN ASN 82 -18.421 14.620 -0.138 639 HA ASN 82 HA ASN 82 -20.217 15.906 -2.018 640 HB2 ASN 82 HB2 ASN 82 -18.661 17.920 -1.538 641 HB3 ASN 82 HB1 ASN 82 -19.633 17.280 -0.214 642 HD21 ASN 82 HD21 ASN 82 -18.514 16.647 1.641 643 HD22 ASN 82 HD22 ASN 82 -16.833 16.438 1.725 644 H HIS 83 HN HIS 83 -17.116 14.433 -2.296 645 HA HIS 83 HA HIS 83 -16.417 16.034 -4.646 646 HB2 HIS 83 HB2 HIS 83 -15.101 13.686 -3.306 647 HB3 HIS 83 HB1 HIS 83 -14.522 14.329 -4.838 648 HD1 HIS 83 HD1 HIS 83 -12.381 14.809 -3.076 649 HD2 HIS 83 HD2 HIS 83 -15.734 17.275 -2.807 650 HE1 HIS 83 HE1 HIS 83 -11.635 16.906 -1.863 651 HE2 HIS 83 HE2 HIS 83 -13.668 18.414 -1.695 652 H ARG 84 HN ARG 84 -17.984 12.930 -4.048 653 HA ARG 84 HA ARG 84 -18.095 12.589 -7.019 654 HB2 ARG 84 HB2 ARG 84 -18.103 10.205 -5.205 655 HB3 ARG 84 HB1 ARG 84 -17.648 10.308 -6.899 656 HG2 ARG 84 HG2 ARG 84 -16.028 11.708 -4.750 657 HG3 ARG 84 HG1 ARG 84 -15.744 10.033 -5.187 658 HD2 ARG 84 HD2 ARG 84 -15.366 10.667 -7.523 659 HD3 ARG 84 HD1 ARG 84 -15.693 12.352 -7.130 660 HE ARG 84 HE ARG 84 -13.653 11.746 -5.408 661 HH11 ARG 84 HH21 ARG 84 -14.197 11.265 -8.779 662 HH12 ARG 84 HH22 ARG 84 -12.518 11.353 -9.197 663 HH21 ARG 84 HH11 ARG 84 -11.459 11.863 -5.935 664 HH22 ARG 84 HH12 ARG 84 -10.969 11.692 -7.588 665 H HIS 85 HN HIS 85 -19.852 12.370 -4.004 666 HA HIS 85 HA HIS 85 -22.219 11.321 -5.452 667 HB2 HIS 85 HB2 HIS 85 -21.956 11.903 -2.496 668 HB3 HIS 85 HB1 HIS 85 -23.185 10.917 -3.288 669 HD1 HIS 85 HD1 HIS 85 -22.726 8.489 -3.021 670 HD2 HIS 85 HD2 HIS 85 -19.193 10.690 -3.237 671 HE1 HIS 85 HE1 HIS 85 -20.832 6.820 -2.830 672 H MET 86 HN MET 86 -21.282 13.988 -3.328 673 HA MET 86 HA MET 86 -22.370 16.041 -2.909 674 HB2 MET 86 HB2 MET 86 -21.127 15.972 -5.297 675 HB3 MET 86 HB1 MET 86 -22.769 16.333 -5.836 676 HG2 MET 86 HG2 MET 86 -22.734 18.121 -3.930 677 HG3 MET 86 HG1 MET 86 -20.982 17.936 -4.022 678 HE1 MET 86 HE1 MET 86 -21.815 21.280 -5.720 679 HE2 MET 86 HE2 MET 86 -21.871 20.429 -4.178 680 HE3 MET 86 HE3 MET 86 -23.336 20.584 -5.145 681 H ARG 87 HN ARG 87 -24.193 13.743 -3.005 682 HA ARG 87 HA ARG 87 -26.588 14.759 -4.382 683 HB2 ARG 87 HB2 ARG 87 -25.727 12.220 -3.198 684 HB3 ARG 87 HB1 ARG 87 -27.397 12.630 -2.802 685 HG2 ARG 87 HG2 ARG 87 -28.002 12.802 -5.106 686 HG3 ARG 87 HG1 ARG 87 -26.317 12.780 -5.623 687 HD2 ARG 87 HD2 ARG 87 -27.815 10.581 -5.726 688 HD3 ARG 87 HD1 ARG 87 -26.103 10.500 -5.307 689 HE ARG 87 HE ARG 87 -26.723 9.921 -3.098 690 HH11 ARG 87 HH21 ARG 87 -29.358 11.189 -4.923 691 HH12 ARG 87 HH22 ARG 87 -30.548 10.804 -3.723 692 HH21 ARG 87 HH11 ARG 87 -28.259 9.412 -1.520 693 HH22 ARG 87 HH12 ARG 87 -29.924 9.798 -1.797 694 H ALA 88 HN ALA 88 -25.072 15.471 -1.531 695 HA ALA 88 HA ALA 88 -27.014 15.434 0.483 696 HB1 ALA 88 HB1 ALA 88 -24.875 16.233 1.105 697 HB2 ALA 88 HB2 ALA 88 -25.906 17.660 1.211 698 HB3 ALA 88 HB3 ALA 88 -24.854 17.434 -0.186 699 H GLY 89 HN GLY 89 -27.173 17.038 -2.512 700 HA2 GLY 89 HA2 GLY 89 -28.757 19.322 -1.772 701 HA3 GLY 89 HA1 GLY 89 -28.685 18.612 -3.385 Start of MODEL 10 1 H1 VAL 1 HT1 VAL 1 -14.593 -6.823 0.977 2 H2 VAL 1 HT2 VAL 1 -16.053 -5.954 0.958 3 H3 VAL 1 HT3 VAL 1 -16.029 -7.568 1.488 4 HA VAL 1 HA VAL 1 -14.504 -5.425 2.847 5 HB VAL 1 HB VAL 1 -16.351 -5.321 4.467 6 HG11 VAL 1 HG11 VAL 1 -17.772 -3.944 3.188 7 HG12 VAL 1 HG12 VAL 1 -17.582 -4.937 1.743 8 HG13 VAL 1 HG13 VAL 1 -16.256 -3.910 2.288 9 HG21 VAL 1 HG21 VAL 1 -17.432 -7.468 2.674 10 HG22 VAL 1 HG22 VAL 1 -18.572 -6.383 3.471 11 HG23 VAL 1 HG23 VAL 1 -17.464 -7.362 4.434 12 H HIS 2 HN HIS 2 -13.229 -6.297 4.393 13 HA HIS 2 HA HIS 2 -12.235 -7.830 5.834 14 HB2 HIS 2 HB2 HIS 2 -14.566 -7.961 6.784 15 HB3 HIS 2 HB1 HIS 2 -14.858 -9.339 5.726 16 HD1 HIS 2 HD1 HIS 2 -12.886 -8.301 8.749 17 HD2 HIS 2 HD2 HIS 2 -13.505 -11.719 6.442 18 HE1 HIS 2 HE1 HIS 2 -11.876 -10.232 10.044 19 HE2 HIS 2 HE2 HIS 2 -12.247 -12.318 8.649 20 H PHE 3 HN PHE 3 -14.322 -9.694 3.653 21 HA PHE 3 HA PHE 3 -12.351 -11.784 3.300 22 HB2 PHE 3 HB2 PHE 3 -14.624 -11.280 1.394 23 HB3 PHE 3 HB1 PHE 3 -13.920 -12.820 1.890 24 HD1 PHE 3 HD1 PHE 3 -14.192 -13.537 4.341 25 HD2 PHE 3 HD2 PHE 3 -16.481 -10.380 2.541 26 HE1 PHE 3 HE1 PHE 3 -15.876 -13.726 6.151 27 HE2 PHE 3 HE2 PHE 3 -18.166 -10.568 4.351 28 HZ PHE 3 HZ PHE 3 -17.863 -12.242 6.157 29 H CYS 4 HN CYS 4 -10.452 -11.241 2.272 30 HA CYS 4 HA CYS 4 -9.968 -9.139 0.517 31 HB2 CYS 4 HB2 CYS 4 -7.980 -10.222 -0.107 32 HB3 CYS 4 HB1 CYS 4 -8.326 -10.895 1.484 33 H ASP 5 HN ASP 5 -10.617 -8.650 -1.516 34 HA ASP 5 HA ASP 5 -12.439 -10.422 -2.921 35 HB2 ASP 5 HB2 ASP 5 -11.815 -7.672 -2.977 36 HB3 ASP 5 HB1 ASP 5 -11.408 -8.288 -4.579 37 H LYS 6 HN LYS 6 -9.042 -10.134 -2.825 38 HA LYS 6 HA LYS 6 -8.535 -10.973 -5.562 39 HB2 LYS 6 HB2 LYS 6 -6.874 -9.700 -4.175 40 HB3 LYS 6 HB1 LYS 6 -6.712 -11.116 -3.143 41 HG2 LYS 6 HG2 LYS 6 -4.897 -11.205 -4.717 42 HG3 LYS 6 HG1 LYS 6 -6.051 -12.438 -5.207 43 HD2 LYS 6 HD2 LYS 6 -6.695 -9.898 -6.461 44 HD3 LYS 6 HD1 LYS 6 -5.028 -10.357 -6.798 45 HE2 LYS 6 HE2 LYS 6 -5.708 -12.488 -7.682 46 HE3 LYS 6 HE1 LYS 6 -7.368 -12.249 -7.137 47 HZ1 LYS 6 HZ1 LYS 6 -7.137 -10.108 -8.607 48 HZ2 LYS 6 HZ2 LYS 6 -7.555 -11.605 -9.294 49 HZ3 LYS 6 HZ3 LYS 6 -5.957 -11.035 -9.396 50 H CYS 7 HN CYS 7 -8.710 -12.561 -2.398 51 HA CYS 7 HA CYS 7 -8.733 -15.171 -3.824 52 HB2 CYS 7 HB2 CYS 7 -7.911 -15.249 -1.010 53 HB3 CYS 7 HB1 CYS 7 -7.188 -16.035 -2.414 54 H GLY 8 HN GLY 8 -10.295 -13.121 -1.493 55 HA2 GLY 8 HA2 GLY 8 -12.553 -13.427 -0.753 56 HA3 GLY 8 HA1 GLY 8 -12.493 -15.085 -1.347 57 H LEU 9 HN LEU 9 -9.784 -14.154 0.539 58 HA LEU 9 HA LEU 9 -10.757 -15.890 2.742 59 HB2 LEU 9 HB2 LEU 9 -8.103 -15.057 1.698 60 HB3 LEU 9 HB1 LEU 9 -8.212 -15.264 3.447 61 HG LEU 9 HG LEU 9 -9.071 -17.530 3.167 62 HD11 LEU 9 HD11 LEU 9 -9.306 -16.616 0.350 63 HD12 LEU 9 HD12 LEU 9 -10.327 -17.728 1.260 64 HD13 LEU 9 HD13 LEU 9 -8.799 -18.288 0.582 65 HD21 LEU 9 HD21 LEU 9 -7.083 -18.554 2.027 66 HD22 LEU 9 HD22 LEU 9 -6.644 -17.309 3.197 67 HD23 LEU 9 HD23 LEU 9 -6.622 -16.945 1.471 68 HA PRO 10 HA PRO 10 -11.550 -12.450 5.377 69 HB2 PRO 10 HB2 PRO 10 -10.704 -13.364 7.820 70 HB3 PRO 10 HB1 PRO 10 -12.232 -13.831 7.050 71 HG2 PRO 10 HG2 PRO 10 -9.662 -15.317 7.209 72 HG3 PRO 10 HG1 PRO 10 -11.325 -15.923 7.270 73 HD2 PRO 10 HD2 PRO 10 -9.752 -16.097 5.029 74 HD3 PRO 10 HD1 PRO 10 -11.526 -16.000 4.968 75 H ILE 11 HN ILE 11 -10.317 -10.721 5.022 76 HA ILE 11 HA ILE 11 -7.498 -10.539 5.083 77 HB ILE 11 HB ILE 11 -9.660 -8.448 5.439 78 HG12 ILE 11 HG12 ILE 11 -7.884 -8.922 3.053 79 HG13 ILE 11 HG11 ILE 11 -9.362 -9.853 3.279 80 HG21 ILE 11 HG21 ILE 11 -7.458 -7.145 4.442 81 HG22 ILE 11 HG22 ILE 11 -6.735 -8.255 5.604 82 HG23 ILE 11 HG23 ILE 11 -7.965 -7.111 6.130 83 HD11 ILE 11 HD11 ILE 11 -9.638 -6.930 3.651 84 HD12 ILE 11 HD12 ILE 11 -10.714 -8.068 2.840 85 HD13 ILE 11 HD13 ILE 11 -9.287 -7.453 2.003 86 H LYS 12 HN LYS 12 -6.264 -10.948 6.826 87 HA LYS 12 HA LYS 12 -7.240 -10.446 9.551 88 HB2 LYS 12 HB2 LYS 12 -5.797 -12.417 9.013 89 HB3 LYS 12 HB1 LYS 12 -4.487 -11.309 8.601 90 HG2 LYS 12 HG2 LYS 12 -4.379 -10.471 10.853 91 HG3 LYS 12 HG1 LYS 12 -5.863 -11.313 11.298 92 HD2 LYS 12 HD2 LYS 12 -3.845 -12.511 12.108 93 HD3 LYS 12 HD1 LYS 12 -4.765 -13.479 10.955 94 HE2 LYS 12 HE2 LYS 12 -2.559 -11.707 9.954 95 HE3 LYS 12 HE1 LYS 12 -2.157 -13.264 10.680 96 HZ1 LYS 12 HZ1 LYS 12 -2.637 -14.170 8.731 97 HZ2 LYS 12 HZ2 LYS 12 -3.247 -12.708 8.118 98 HZ3 LYS 12 HZ3 LYS 12 -4.263 -13.759 8.983 99 H VAL 13 HN VAL 13 -5.044 -9.026 7.210 100 HA VAL 13 HA VAL 13 -4.806 -6.622 8.951 101 HB VAL 13 HB VAL 13 -2.566 -7.244 7.140 102 HG11 VAL 13 HG11 VAL 13 -1.279 -6.170 8.855 103 HG12 VAL 13 HG12 VAL 13 -2.564 -6.394 10.041 104 HG13 VAL 13 HG13 VAL 13 -2.778 -5.254 8.713 105 HG21 VAL 13 HG21 VAL 13 -2.776 -9.451 8.007 106 HG22 VAL 13 HG22 VAL 13 -3.182 -8.857 9.617 107 HG23 VAL 13 HG23 VAL 13 -1.538 -8.686 9.003 108 H TYR 14 HN TYR 14 -5.155 -4.739 7.795 109 HA TYR 14 HA TYR 14 -6.251 -5.040 5.126 110 HB2 TYR 14 HB2 TYR 14 -5.862 -2.767 7.020 111 HB3 TYR 14 HB1 TYR 14 -6.200 -2.423 5.326 112 HD1 TYR 14 HD2 TYR 14 -7.441 -5.268 7.439 113 HD2 TYR 14 HD1 TYR 14 -8.425 -1.680 5.311 114 HE1 TYR 14 HE2 TYR 14 -9.844 -5.718 7.801 115 HE2 TYR 14 HE1 TYR 14 -10.835 -2.122 5.675 116 HH TYR 14 HH TYR 14 -12.307 -3.980 6.154 117 H GLY 15 HN GLY 15 -4.821 -5.477 3.549 118 HA2 GLY 15 HA2 GLY 15 -2.174 -4.241 3.453 119 HA3 GLY 15 HA1 GLY 15 -2.866 -5.292 2.209 120 H ARG 16 HN ARG 16 -2.764 -2.053 3.467 121 HA ARG 16 HA ARG 16 -4.613 -0.875 1.581 122 HB2 ARG 16 HB2 ARG 16 -3.821 0.082 3.811 123 HB3 ARG 16 HB1 ARG 16 -2.324 0.517 2.992 124 HG2 ARG 16 HG2 ARG 16 -3.318 2.402 2.293 125 HG3 ARG 16 HG1 ARG 16 -4.398 1.415 1.306 126 HD2 ARG 16 HD2 ARG 16 -5.851 1.125 3.359 127 HD3 ARG 16 HD1 ARG 16 -4.840 2.325 4.160 128 HE ARG 16 HE ARG 16 -5.829 3.993 2.808 129 HH11 ARG 16 HH21 ARG 16 -6.545 0.819 1.715 130 HH12 ARG 16 HH22 ARG 16 -7.827 1.323 0.666 131 HH21 ARG 16 HH11 ARG 16 -7.499 4.682 1.452 132 HH22 ARG 16 HH12 ARG 16 -8.366 3.512 0.515 133 H MET 17 HN MET 17 -4.279 -0.158 -0.464 134 HA MET 17 HA MET 17 -1.459 -0.117 -1.487 135 HB2 MET 17 HB2 MET 17 -3.544 -0.290 -3.538 136 HB3 MET 17 HB1 MET 17 -2.060 -1.210 -3.375 137 HG2 MET 17 HG2 MET 17 -4.579 -1.740 -1.772 138 HG3 MET 17 HG1 MET 17 -4.129 -2.597 -3.237 139 HE1 MET 17 HE1 MET 17 -0.691 -3.031 -2.697 140 HE2 MET 17 HE2 MET 17 -2.048 -3.516 -3.699 141 HE3 MET 17 HE3 MET 17 -1.288 -4.692 -2.638 142 H ILE 18 HN ILE 18 -0.809 1.778 -2.456 143 HA ILE 18 HA ILE 18 -2.896 3.868 -2.889 144 HB ILE 18 HB ILE 18 -0.577 5.292 -2.622 145 HG12 ILE 18 HG12 ILE 18 -0.405 2.992 -0.663 146 HG13 ILE 18 HG11 ILE 18 0.649 3.228 -2.060 147 HG21 ILE 18 HG21 ILE 18 -2.343 4.385 -0.319 148 HG22 ILE 18 HG22 ILE 18 -2.768 5.674 -1.442 149 HG23 ILE 18 HG23 ILE 18 -1.382 5.860 -0.375 150 HD11 ILE 18 HD11 ILE 18 1.763 4.132 -0.102 151 HD12 ILE 18 HD12 ILE 18 0.341 5.084 0.311 152 HD13 ILE 18 HD13 ILE 18 1.274 5.473 -1.133 153 HA PRO 19 HA PRO 19 -2.677 6.025 -3.717 154 HB2 PRO 19 HB2 PRO 19 -3.729 7.270 -5.861 155 HB3 PRO 19 HB1 PRO 19 -2.037 7.513 -5.383 156 HG2 PRO 19 HG2 PRO 19 -3.167 5.817 -7.551 157 HG3 PRO 19 HG1 PRO 19 -1.707 6.821 -7.546 158 HD2 PRO 19 HD2 PRO 19 -1.709 4.074 -7.169 159 HD3 PRO 19 HD1 PRO 19 -0.424 5.165 -6.620 160 H CYS 20 HN CYS 20 -3.599 3.384 -5.587 161 HA CYS 20 HA CYS 20 -6.314 3.673 -6.141 162 HB2 CYS 20 HB2 CYS 20 -4.749 1.607 -6.429 163 HB3 CYS 20 HB1 CYS 20 -5.288 1.173 -4.807 164 H LYS 21 HN LYS 21 -4.717 3.312 -3.057 165 HA LYS 21 HA LYS 21 -5.507 3.487 -0.881 166 HB2 LYS 21 HB2 LYS 21 -7.281 5.198 -2.496 167 HB3 LYS 21 HB1 LYS 21 -8.044 4.600 -1.026 168 HG2 LYS 21 HG2 LYS 21 -6.196 5.440 0.323 169 HG3 LYS 21 HG1 LYS 21 -5.329 5.939 -1.128 170 HD2 LYS 21 HD2 LYS 21 -8.105 6.973 -0.777 171 HD3 LYS 21 HD1 LYS 21 -6.852 7.651 0.264 172 HE2 LYS 21 HE2 LYS 21 -6.714 7.500 -2.763 173 HE3 LYS 21 HE1 LYS 21 -7.088 8.951 -1.833 174 HZ1 LYS 21 HZ1 LYS 21 -4.921 9.308 -1.692 175 HZ2 LYS 21 HZ2 LYS 21 -4.564 7.819 -2.428 176 HZ3 LYS 21 HZ3 LYS 21 -4.773 7.909 -0.745 177 H HIS 22 HN HIS 22 -6.032 1.186 -2.614 178 HA HIS 22 HA HIS 22 -8.656 0.227 -1.648 179 HB2 HIS 22 HB2 HIS 22 -6.647 -0.843 -3.624 180 HB3 HIS 22 HB1 HIS 22 -7.958 -1.852 -3.011 181 HD2 HIS 22 HD2 HIS 22 -9.258 1.703 -3.366 182 HE1 HIS 22 HE1 HIS 22 -10.243 -0.235 -6.987 183 HE2 HIS 22 HE2 HIS 22 -10.648 1.830 -5.569 184 H VAL 23 HN VAL 23 -8.553 -2.207 -0.828 185 HA VAL 23 HA VAL 23 -6.119 -2.585 0.849 186 HB VAL 23 HB VAL 23 -7.434 -3.088 2.804 187 HG11 VAL 23 HG11 VAL 23 -6.898 -0.746 2.470 188 HG12 VAL 23 HG12 VAL 23 -8.514 -0.869 3.156 189 HG13 VAL 23 HG13 VAL 23 -8.313 -0.531 1.443 190 HG21 VAL 23 HG21 VAL 23 -9.635 -3.025 0.801 191 HG22 VAL 23 HG22 VAL 23 -10.011 -2.433 2.420 192 HG23 VAL 23 HG23 VAL 23 -9.414 -4.079 2.198 193 H PHE 24 HN PHE 24 -5.685 -4.734 1.444 194 HA PHE 24 HA PHE 24 -7.446 -6.918 0.629 195 HB2 PHE 24 HB2 PHE 24 -4.771 -6.591 -0.767 196 HB3 PHE 24 HB1 PHE 24 -5.901 -7.927 -0.977 197 HD1 PHE 24 HD1 PHE 24 -8.179 -7.478 -1.951 198 HD2 PHE 24 HD2 PHE 24 -5.050 -4.542 -1.929 199 HE1 PHE 24 HE1 PHE 24 -9.371 -6.193 -3.694 200 HE2 PHE 24 HE2 PHE 24 -6.245 -3.260 -3.674 201 HZ PHE 24 HZ PHE 24 -8.399 -4.083 -4.577 202 H CYS 25 HN CYS 25 -6.503 -9.019 1.335 203 HA CYS 25 HA CYS 25 -5.338 -8.980 3.872 204 HB2 CYS 25 HB2 CYS 25 -4.308 -11.302 2.926 205 HB3 CYS 25 HB1 CYS 25 -6.006 -11.126 3.371 206 H TYR 26 HN TYR 26 -3.500 -7.897 4.370 207 HA TYR 26 HA TYR 26 -1.472 -7.077 2.666 208 HB2 TYR 26 HB2 TYR 26 -1.751 -6.421 5.076 209 HB3 TYR 26 HB1 TYR 26 -1.050 -7.971 5.524 210 HD1 TYR 26 HD1 TYR 26 -0.187 -5.255 3.012 211 HD2 TYR 26 HD2 TYR 26 1.154 -7.810 6.203 212 HE1 TYR 26 HE1 TYR 26 2.082 -4.306 2.822 213 HE2 TYR 26 HE2 TYR 26 3.427 -6.856 6.002 214 HH TYR 26 HH TYR 26 4.786 -5.714 4.162 215 H ASP 27 HN ASP 27 -2.144 -10.300 3.625 216 HA ASP 27 HA ASP 27 0.559 -11.299 3.178 217 HB2 ASP 27 HB2 ASP 27 -2.086 -12.453 3.847 218 HB3 ASP 27 HB1 ASP 27 -1.030 -13.499 2.898 219 H CYS 28 HN CYS 28 -2.475 -11.236 1.336 220 HA CYS 28 HA CYS 28 -1.168 -12.397 -1.005 221 HB2 CYS 28 HB2 CYS 28 -3.843 -10.973 -0.900 222 HB3 CYS 28 HB1 CYS 28 -3.286 -12.093 -2.140 223 H ALA 29 HN ALA 29 -1.608 -9.286 0.384 224 HA ALA 29 HA ALA 29 -1.328 -7.736 -2.031 225 HB1 ALA 29 HB1 ALA 29 -0.361 -6.744 0.634 226 HB2 ALA 29 HB2 ALA 29 -2.086 -7.031 0.407 227 HB3 ALA 29 HB3 ALA 29 -1.242 -5.874 -0.621 228 H ILE 30 HN ILE 30 0.935 -9.029 0.384 229 HA ILE 30 HA ILE 30 3.230 -7.832 -0.934 230 HB ILE 30 HB ILE 30 4.555 -9.130 0.644 231 HG12 ILE 30 HG12 ILE 30 1.977 -10.393 1.579 232 HG13 ILE 30 HG11 ILE 30 3.112 -11.230 0.527 233 HG21 ILE 30 HG21 ILE 30 2.698 -8.531 2.654 234 HG22 ILE 30 HG22 ILE 30 2.352 -7.403 1.344 235 HG23 ILE 30 HG23 ILE 30 3.969 -7.479 2.039 236 HD11 ILE 30 HD11 ILE 30 3.195 -11.155 3.315 237 HD12 ILE 30 HD12 ILE 30 4.457 -10.032 2.809 238 HD13 ILE 30 HD13 ILE 30 4.486 -11.703 2.245 239 H LEU 31 HN LEU 31 1.521 -10.921 -1.062 240 HA LEU 31 HA LEU 31 3.549 -12.269 -2.625 241 HB2 LEU 31 HB2 LEU 31 0.552 -12.689 -2.493 242 HB3 LEU 31 HB1 LEU 31 1.644 -13.753 -3.367 243 HG LEU 31 HG LEU 31 2.132 -13.120 -0.459 244 HD11 LEU 31 HD11 LEU 31 0.944 -15.582 -0.398 245 HD12 LEU 31 HD12 LEU 31 -0.026 -14.769 -1.624 246 HD13 LEU 31 HD13 LEU 31 0.116 -14.076 -0.008 247 HD21 LEU 31 HD21 LEU 31 2.646 -15.815 -1.512 248 HD22 LEU 31 HD22 LEU 31 3.715 -14.741 -0.612 249 HD23 LEU 31 HD23 LEU 31 3.554 -14.563 -2.357 250 H HIS 32 HN HIS 32 0.775 -10.227 -3.419 251 HA HIS 32 HA HIS 32 1.117 -10.472 -6.288 252 HB2 HIS 32 HB2 HIS 32 -0.517 -8.807 -4.433 253 HB3 HIS 32 HB1 HIS 32 -0.217 -8.144 -6.040 254 HD1 HIS 32 HD1 HIS 32 -1.197 -9.432 -8.077 255 HD2 HIS 32 HD2 HIS 32 -2.153 -11.139 -4.393 256 HE1 HIS 32 HE1 HIS 32 -3.018 -11.137 -8.526 257 HE2 HIS 32 HE2 HIS 32 -3.606 -12.181 -6.291 258 H GLU 33 HN GLU 33 2.549 -8.519 -3.770 259 HA GLU 33 HA GLU 33 3.593 -6.558 -5.652 260 HB2 GLU 33 HB2 GLU 33 4.125 -5.357 -3.816 261 HB3 GLU 33 HB1 GLU 33 3.237 -6.574 -2.908 262 HG2 GLU 33 HG2 GLU 33 5.393 -7.863 -2.671 263 HG3 GLU 33 HG1 GLU 33 6.228 -6.498 -3.418 264 H LYS 34 HN LYS 34 4.785 -9.486 -4.056 265 HA LYS 34 HA LYS 34 7.478 -9.142 -5.113 266 HB2 LYS 34 HB2 LYS 34 8.020 -11.036 -3.928 267 HB3 LYS 34 HB1 LYS 34 6.537 -10.623 -3.072 268 HG2 LYS 34 HG2 LYS 34 5.321 -12.103 -4.782 269 HG3 LYS 34 HG1 LYS 34 6.917 -12.694 -5.244 270 HD2 LYS 34 HD2 LYS 34 5.827 -12.752 -2.415 271 HD3 LYS 34 HD1 LYS 34 5.808 -14.126 -3.518 272 HE2 LYS 34 HE2 LYS 34 8.350 -13.761 -3.739 273 HE3 LYS 34 HE1 LYS 34 8.200 -12.728 -2.317 274 HZ1 LYS 34 HZ1 LYS 34 8.737 -14.966 -1.661 275 HZ2 LYS 34 HZ2 LYS 34 7.401 -15.582 -2.510 276 HZ3 LYS 34 HZ3 LYS 34 7.164 -14.594 -1.148 277 H LYS 35 HN LYS 35 4.462 -10.270 -6.297 278 HA LYS 35 HA LYS 35 5.600 -11.968 -8.372 279 HB2 LYS 35 HB2 LYS 35 3.219 -12.090 -7.292 280 HB3 LYS 35 HB1 LYS 35 2.819 -10.844 -8.475 281 HG2 LYS 35 HG2 LYS 35 2.346 -12.739 -9.718 282 HG3 LYS 35 HG1 LYS 35 4.045 -12.515 -10.138 283 HD2 LYS 35 HD2 LYS 35 4.420 -13.992 -7.959 284 HD3 LYS 35 HD1 LYS 35 2.790 -14.548 -8.337 285 HE2 LYS 35 HE2 LYS 35 4.127 -16.047 -9.549 286 HE3 LYS 35 HE1 LYS 35 3.714 -14.834 -10.763 287 HZ1 LYS 35 HZ1 LYS 35 5.801 -13.946 -10.725 288 HZ2 LYS 35 HZ2 LYS 35 6.176 -15.570 -10.393 289 HZ3 LYS 35 HZ3 LYS 35 6.116 -14.433 -9.132 290 H GLY 36 HN GLY 36 4.400 -8.675 -8.106 291 HA2 GLY 36 HA2 GLY 36 5.641 -8.088 -10.757 292 HA3 GLY 36 HA1 GLY 36 4.002 -7.526 -10.420 293 H ASP 37 HN ASP 37 4.498 -6.966 -7.623 294 HA ASP 37 HA ASP 37 5.330 -5.219 -6.253 295 HB2 ASP 37 HB2 ASP 37 7.525 -6.129 -7.646 296 HB3 ASP 37 HB1 ASP 37 7.499 -4.414 -8.058 297 H LYS 38 HN LYS 38 3.456 -4.758 -8.556 298 HA LYS 38 HA LYS 38 3.434 -1.876 -8.443 299 HB2 LYS 38 HB2 LYS 38 3.838 -1.525 -10.865 300 HB3 LYS 38 HB1 LYS 38 5.263 -2.127 -10.020 301 HG2 LYS 38 HG2 LYS 38 4.583 -4.463 -10.711 302 HG3 LYS 38 HG1 LYS 38 3.340 -3.732 -11.722 303 HD2 LYS 38 HD2 LYS 38 4.954 -3.700 -13.319 304 HD3 LYS 38 HD1 LYS 38 5.570 -2.296 -12.442 305 HE2 LYS 38 HE2 LYS 38 6.917 -3.866 -11.017 306 HE3 LYS 38 HE1 LYS 38 6.415 -5.180 -12.081 307 HZ1 LYS 38 HZ1 LYS 38 8.191 -2.908 -12.640 308 HZ2 LYS 38 HZ2 LYS 38 7.286 -3.573 -13.915 309 HZ3 LYS 38 HZ3 LYS 38 8.377 -4.544 -13.047 310 H MET 39 HN MET 39 1.589 -4.228 -8.171 311 HA MET 39 HA MET 39 -0.541 -3.111 -9.884 312 HB2 MET 39 HB2 MET 39 -1.118 -5.197 -10.916 313 HB3 MET 39 HB1 MET 39 0.618 -5.008 -11.127 314 HG2 MET 39 HG2 MET 39 0.761 -6.323 -8.861 315 HG3 MET 39 HG1 MET 39 -0.870 -6.850 -9.279 316 HE1 MET 39 HE1 MET 39 -0.626 -9.036 -12.253 317 HE2 MET 39 HE2 MET 39 -1.297 -7.422 -12.030 318 HE3 MET 39 HE3 MET 39 -1.455 -8.619 -10.748 319 H CYS 40 HN CYS 40 -2.244 -2.767 -8.571 320 HA CYS 40 HA CYS 40 -2.462 -3.912 -5.948 321 HB2 CYS 40 HB2 CYS 40 -3.607 -1.954 -5.898 322 HB3 CYS 40 HB1 CYS 40 -3.997 -2.037 -7.613 323 HA PRO 41 HA PRO 41 -4.154 -7.961 -6.970 324 HB2 PRO 41 HB2 PRO 41 -5.819 -7.477 -4.541 325 HB3 PRO 41 HB1 PRO 41 -4.844 -8.889 -4.981 326 HG2 PRO 41 HG2 PRO 41 -4.046 -7.075 -3.167 327 HG3 PRO 41 HG1 PRO 41 -2.922 -7.984 -4.189 328 HD2 PRO 41 HD2 PRO 41 -3.622 -5.124 -4.292 329 HD3 PRO 41 HD1 PRO 41 -2.216 -5.970 -4.973 330 H GLY 42 HN GLY 42 -6.273 -5.213 -6.251 331 HA2 GLY 42 HA2 GLY 42 -8.553 -6.587 -7.555 332 HA3 GLY 42 HA1 GLY 42 -8.628 -5.041 -6.710 333 H CYS 43 HN CYS 43 -7.092 -3.332 -7.811 334 HA CYS 43 HA CYS 43 -8.111 -2.925 -10.460 335 HB2 CYS 43 HB2 CYS 43 -5.845 -1.557 -8.994 336 HB3 CYS 43 HB1 CYS 43 -6.566 -0.972 -10.495 337 H SER 44 HN SER 44 -4.939 -3.875 -9.211 338 HA SER 44 HA SER 44 -3.311 -5.238 -10.205 339 HB2 SER 44 HB2 SER 44 -5.517 -6.140 -11.403 340 HB3 SER 44 HB1 SER 44 -4.763 -5.391 -12.806 341 HG SER 44 HG SER 44 -3.723 -7.394 -11.092 342 H ASP 45 HN ASP 45 -2.731 -2.577 -10.218 343 HA ASP 45 HA ASP 45 -0.873 -2.326 -12.325 344 HB2 ASP 45 HB2 ASP 45 -3.549 -1.661 -13.150 345 HB3 ASP 45 HB1 ASP 45 -2.540 -0.216 -13.201 346 HA PRO 46 HA PRO 46 -1.169 1.922 -10.244 347 HB2 PRO 46 HB2 PRO 46 -3.252 2.607 -8.679 348 HB3 PRO 46 HB1 PRO 46 -3.347 2.634 -10.448 349 HG2 PRO 46 HG2 PRO 46 -4.405 0.628 -8.530 350 HG3 PRO 46 HG1 PRO 46 -5.108 1.232 -10.040 351 HD2 PRO 46 HD2 PRO 46 -3.710 -1.177 -9.755 352 HD3 PRO 46 HD1 PRO 46 -4.047 -0.360 -11.291 353 H VAL 47 HN VAL 47 0.053 -0.312 -8.883 354 HA VAL 47 HA VAL 47 -0.389 0.272 -6.000 355 HB VAL 47 HB VAL 47 0.954 -1.889 -7.521 356 HG11 VAL 47 HG11 VAL 47 2.879 -1.271 -6.249 357 HG12 VAL 47 HG12 VAL 47 2.111 -2.561 -5.328 358 HG13 VAL 47 HG13 VAL 47 1.900 -0.886 -4.829 359 HG21 VAL 47 HG21 VAL 47 -1.319 -1.919 -6.346 360 HG22 VAL 47 HG22 VAL 47 -0.405 -1.953 -4.840 361 HG23 VAL 47 HG23 VAL 47 -0.230 -3.264 -6.005 362 H GLN 48 HN GLN 48 0.769 1.911 -5.108 363 HA GLN 48 HA GLN 48 3.361 2.688 -6.347 364 HB2 GLN 48 HB2 GLN 48 1.679 4.487 -6.054 365 HB3 GLN 48 HB1 GLN 48 1.667 4.176 -4.320 366 HG2 GLN 48 HG2 GLN 48 3.430 5.554 -4.087 367 HG3 GLN 48 HG1 GLN 48 4.386 4.481 -5.112 368 HE21 GLN 48 HE21 GLN 48 2.436 7.436 -5.098 369 HE22 GLN 48 HE22 GLN 48 2.874 7.941 -6.658 370 H ARG 49 HN ARG 49 1.965 2.590 -3.068 371 HA ARG 49 HA ARG 49 4.283 0.960 -2.191 372 HB2 ARG 49 HB2 ARG 49 3.741 2.928 -0.156 373 HB3 ARG 49 HB1 ARG 49 5.266 2.559 -0.955 374 HG2 ARG 49 HG2 ARG 49 4.665 4.019 -2.830 375 HG3 ARG 49 HG1 ARG 49 3.110 4.373 -2.074 376 HD2 ARG 49 HD2 ARG 49 4.278 5.327 -0.122 377 HD3 ARG 49 HD1 ARG 49 5.830 4.988 -0.890 378 HE ARG 49 HE ARG 49 4.473 6.525 -2.762 379 HH11 ARG 49 HH21 ARG 49 5.318 6.780 0.571 380 HH12 ARG 49 HH22 ARG 49 5.442 8.507 0.545 381 HH21 ARG 49 HH11 ARG 49 4.630 8.779 -2.816 382 HH22 ARG 49 HH12 ARG 49 5.053 9.640 -1.373 383 H ILE 50 HN ILE 50 3.487 -0.684 -0.974 384 HA ILE 50 HA ILE 50 0.678 -0.563 -0.172 385 HB ILE 50 HB ILE 50 2.536 -2.791 0.574 386 HG12 ILE 50 HG12 ILE 50 1.381 -2.169 -2.152 387 HG13 ILE 50 HG11 ILE 50 3.068 -2.426 -1.733 388 HG21 ILE 50 HG21 ILE 50 -0.314 -2.828 -0.390 389 HG22 ILE 50 HG22 ILE 50 0.111 -2.634 1.306 390 HG23 ILE 50 HG23 ILE 50 0.549 -4.112 0.448 391 HD11 ILE 50 HD11 ILE 50 2.459 -4.780 -1.040 392 HD12 ILE 50 HD12 ILE 50 2.271 -4.456 -2.761 393 HD13 ILE 50 HD13 ILE 50 0.856 -4.498 -1.721 394 H GLU 51 HN GLU 51 -0.072 -0.601 1.888 395 HA GLU 51 HA GLU 51 1.901 -0.466 4.104 396 HB2 GLU 51 HB2 GLU 51 -0.379 1.496 3.840 397 HB3 GLU 51 HB1 GLU 51 0.944 1.529 5.010 398 HG2 GLU 51 HG2 GLU 51 2.546 1.706 3.098 399 HG3 GLU 51 HG1 GLU 51 1.162 1.868 2.015 400 H GLN 52 HN GLN 52 1.210 -1.363 5.967 401 HA GLN 52 HA GLN 52 -1.255 -2.953 5.828 402 HB2 GLN 52 HB2 GLN 52 -0.400 -4.190 7.611 403 HB3 GLN 52 HB1 GLN 52 1.082 -3.641 6.828 404 HG2 GLN 52 HG2 GLN 52 0.901 -1.591 8.416 405 HG3 GLN 52 HG1 GLN 52 -0.213 -2.600 9.340 406 HE21 GLN 52 HE21 GLN 52 0.657 -4.511 10.404 407 HE22 GLN 52 HE22 GLN 52 2.329 -4.753 10.569 408 H CYS 53 HN CYS 53 -3.022 -2.712 7.257 409 HA CYS 53 HA CYS 53 -2.981 -0.410 9.117 410 HB2 CYS 53 HB2 CYS 53 -4.293 -0.400 6.537 411 HB3 CYS 53 HB1 CYS 53 -5.478 -0.232 7.832 412 H THR 54 HN THR 54 -4.907 -0.422 10.560 413 HA THR 54 HA THR 54 -5.601 -3.183 11.271 414 HB THR 54 HB THR 54 -7.030 -1.295 12.862 415 HG1 THR 54 HG1 THR 54 -4.655 -0.447 13.447 416 HG21 THR 54 HG21 THR 54 -6.079 -3.495 13.552 417 HG22 THR 54 HG22 THR 54 -5.608 -2.183 14.631 418 HG23 THR 54 HG23 THR 54 -4.464 -2.798 13.440 419 H ARG 55 HN ARG 55 -7.910 -3.761 11.682 420 HA ARG 55 HA ARG 55 -9.540 -3.450 9.434 421 HB2 ARG 55 HB2 ARG 55 -11.427 -3.850 11.329 422 HB3 ARG 55 HB1 ARG 55 -10.377 -5.139 10.735 423 HG2 ARG 55 HG2 ARG 55 -8.943 -4.998 12.600 424 HG3 ARG 55 HG1 ARG 55 -9.524 -3.391 13.038 425 HD2 ARG 55 HD2 ARG 55 -11.314 -5.827 13.082 426 HD3 ARG 55 HD1 ARG 55 -10.377 -5.316 14.486 427 HE ARG 55 HE ARG 55 -12.767 -3.999 13.449 428 HH11 ARG 55 HH21 ARG 55 -9.802 -3.695 15.183 429 HH12 ARG 55 HH22 ARG 55 -10.318 -2.310 16.085 430 HH21 ARG 55 HH11 ARG 55 -13.457 -2.191 14.617 431 HH22 ARG 55 HH12 ARG 55 -12.387 -1.458 15.765 432 H GLY 56 HN GLY 56 -10.559 -1.995 12.520 433 HA2 GLY 56 HA2 GLY 56 -12.110 0.016 11.146 434 HA3 GLY 56 HA1 GLY 56 -11.778 -0.016 12.878 435 H SER 57 HN SER 57 -9.139 -0.078 10.553 436 HA SER 57 HA SER 57 -8.105 2.400 11.719 437 HB2 SER 57 HB2 SER 57 -6.693 0.383 11.011 438 HB3 SER 57 HB1 SER 57 -6.971 0.900 9.351 439 HG SER 57 HG SER 57 -5.104 1.873 10.030 440 H LEU 58 HN LEU 58 -9.997 1.479 9.012 441 HA LEU 58 HA LEU 58 -9.624 4.185 7.802 442 HB2 LEU 58 HB2 LEU 58 -10.812 1.914 6.259 443 HB3 LEU 58 HB1 LEU 58 -9.919 3.314 5.678 444 HG LEU 58 HG LEU 58 -8.720 0.981 7.205 445 HD11 LEU 58 HD11 LEU 58 -9.389 0.404 4.910 446 HD12 LEU 58 HD12 LEU 58 -7.631 0.491 5.037 447 HD13 LEU 58 HD13 LEU 58 -8.528 1.813 4.294 448 HD21 LEU 58 HD21 LEU 58 -7.115 2.530 7.669 449 HD22 LEU 58 HD22 LEU 58 -7.760 3.678 6.498 450 HD23 LEU 58 HD23 LEU 58 -6.688 2.385 5.966 451 H PHE 59 HN PHE 59 -11.697 4.801 6.503 452 HA PHE 59 HA PHE 59 -14.079 4.156 8.193 453 HB2 PHE 59 HB2 PHE 59 -13.540 6.730 6.694 454 HB3 PHE 59 HB1 PHE 59 -14.858 6.417 7.826 455 HD1 PHE 59 HD2 PHE 59 -11.124 6.488 7.594 456 HD2 PHE 59 HD1 PHE 59 -14.580 6.850 10.118 457 HE1 PHE 59 HE2 PHE 59 -9.673 7.190 9.478 458 HE2 PHE 59 HE1 PHE 59 -13.130 7.553 12.003 459 HZ PHE 59 HZ PHE 59 -10.676 7.723 11.683 460 H MET 60 HN MET 60 -15.507 2.948 7.058 461 HA MET 60 HA MET 60 -15.380 2.798 4.146 462 HB2 MET 60 HB2 MET 60 -17.311 1.573 6.135 463 HB3 MET 60 HB1 MET 60 -17.264 1.193 4.413 464 HG2 MET 60 HG2 MET 60 -14.629 1.016 5.678 465 HG3 MET 60 HG1 MET 60 -15.801 -0.095 6.388 466 HE1 MET 60 HE1 MET 60 -14.283 -2.710 4.220 467 HE2 MET 60 HE2 MET 60 -14.725 -2.104 5.814 468 HE3 MET 60 HE3 MET 60 -13.336 -1.419 4.974 469 H CYS 61 HN CYS 61 -16.903 3.538 2.675 470 HA CYS 61 HA CYS 61 -18.731 5.667 3.674 471 HB2 CYS 61 HB2 CYS 61 -17.863 6.756 1.891 472 HB3 CYS 61 HB1 CYS 61 -17.132 5.278 1.266 473 H SER 62 HN SER 62 -20.949 5.509 3.397 474 HA SER 62 HA SER 62 -22.016 3.210 1.834 475 HB2 SER 62 HB2 SER 62 -22.903 3.844 4.661 476 HB3 SER 62 HB1 SER 62 -23.461 2.514 3.650 477 HG SER 62 HG SER 62 -21.818 1.907 5.164 478 H ILE 63 HN ILE 63 -22.500 5.126 0.428 479 HA ILE 63 HA ILE 63 -24.706 6.850 1.427 480 HB ILE 63 HB ILE 63 -23.365 6.974 -1.278 481 HG12 ILE 63 HG12 ILE 63 -21.570 7.103 0.325 482 HG13 ILE 63 HG11 ILE 63 -21.912 8.747 -0.208 483 HG21 ILE 63 HG21 ILE 63 -24.013 9.397 -1.034 484 HG22 ILE 63 HG22 ILE 63 -24.882 8.960 0.436 485 HG23 ILE 63 HG23 ILE 63 -25.385 8.292 -1.116 486 HD11 ILE 63 HD11 ILE 63 -23.493 8.876 1.837 487 HD12 ILE 63 HD12 ILE 63 -21.761 8.924 2.150 488 HD13 ILE 63 HD13 ILE 63 -22.659 7.431 2.403 489 H VAL 64 HN VAL 64 -24.073 5.254 -1.714 490 HA VAL 64 HA VAL 64 -26.973 4.818 -2.033 491 HB VAL 64 HB VAL 64 -24.685 4.086 -3.887 492 HG11 VAL 64 HG11 VAL 64 -27.675 4.353 -4.328 493 HG12 VAL 64 HG12 VAL 64 -26.758 2.846 -4.329 494 HG13 VAL 64 HG13 VAL 64 -26.486 4.045 -5.594 495 HG21 VAL 64 HG21 VAL 64 -25.682 6.178 -5.106 496 HG22 VAL 64 HG22 VAL 64 -24.575 6.428 -3.756 497 HG23 VAL 64 HG23 VAL 64 -26.315 6.591 -3.512 498 H GLN 65 HN GLN 65 -24.369 2.578 -2.945 499 HA GLN 65 HA GLN 65 -24.875 0.605 -0.950 500 HB2 GLN 65 HB2 GLN 65 -26.890 0.762 -2.981 501 HB3 GLN 65 HB1 GLN 65 -25.994 -0.741 -3.203 502 HG2 GLN 65 HG2 GLN 65 -26.371 -1.362 -0.878 503 HG3 GLN 65 HG1 GLN 65 -27.158 0.184 -0.560 504 HE21 GLN 65 HE21 GLN 65 -29.382 0.363 -1.069 505 HE22 GLN 65 HE22 GLN 65 -30.277 -0.863 -1.827 506 H GLY 66 HN GLY 66 -23.768 1.493 -4.135 507 HA2 GLY 66 HA2 GLY 66 -22.087 -0.936 -4.341 508 HA3 GLY 66 HA1 GLY 66 -22.259 0.306 -5.581 509 H CYS 67 HN CYS 67 -21.759 2.577 -3.918 510 HA CYS 67 HA CYS 67 -18.996 2.891 -4.106 511 HB2 CYS 67 HB2 CYS 67 -21.037 4.481 -3.238 512 HB3 CYS 67 HB1 CYS 67 -20.185 4.177 -1.726 513 H LYS 68 HN LYS 68 -17.310 2.861 -2.453 514 HA LYS 68 HA LYS 68 -17.659 1.670 0.125 515 HB2 LYS 68 HB2 LYS 68 -17.748 -0.208 -1.964 516 HB3 LYS 68 HB1 LYS 68 -16.112 -0.329 -1.320 517 HG2 LYS 68 HG2 LYS 68 -17.025 -0.578 0.961 518 HG3 LYS 68 HG1 LYS 68 -18.663 -0.469 0.315 519 HD2 LYS 68 HD2 LYS 68 -17.514 -2.433 -1.260 520 HD3 LYS 68 HD1 LYS 68 -16.815 -2.745 0.328 521 HE2 LYS 68 HE2 LYS 68 -18.944 -3.966 0.040 522 HE3 LYS 68 HE1 LYS 68 -19.066 -2.766 1.328 523 HZ1 LYS 68 HZ1 LYS 68 -20.370 -1.398 0.058 524 HZ2 LYS 68 HZ2 LYS 68 -20.892 -2.919 -0.491 525 HZ3 LYS 68 HZ3 LYS 68 -19.794 -2.010 -1.415 526 H ARG 69 HN ARG 69 -16.205 3.804 -1.367 527 HA ARG 69 HA ARG 69 -13.385 3.062 -1.315 528 HB2 ARG 69 HB2 ARG 69 -14.977 5.377 -2.090 529 HB3 ARG 69 HB1 ARG 69 -13.524 5.850 -1.209 530 HG2 ARG 69 HG2 ARG 69 -12.105 4.670 -2.744 531 HG3 ARG 69 HG1 ARG 69 -13.485 3.879 -3.508 532 HD2 ARG 69 HD2 ARG 69 -14.025 5.721 -4.751 533 HD3 ARG 69 HD1 ARG 69 -13.549 6.845 -3.478 534 HE ARG 69 HE ARG 69 -11.866 5.961 -5.651 535 HH11 ARG 69 HH21 ARG 69 -11.952 6.780 -2.303 536 HH12 ARG 69 HH22 ARG 69 -10.299 7.290 -2.248 537 HH21 ARG 69 HH11 ARG 69 -9.706 6.624 -5.599 538 HH22 ARG 69 HH12 ARG 69 -9.027 7.202 -4.115 539 H THR 70 HN THR 70 -12.111 3.003 0.467 540 HA THR 70 HA THR 70 -13.182 4.079 3.008 541 HB THR 70 HB THR 70 -10.686 2.983 3.535 542 HG1 THR 70 HG1 THR 70 -11.797 0.973 2.071 543 HG21 THR 70 HG21 THR 70 -13.412 1.667 3.557 544 HG22 THR 70 HG22 THR 70 -12.703 2.623 4.857 545 HG23 THR 70 HG23 THR 70 -11.994 1.069 4.417 546 H TYR 71 HN TYR 71 -11.331 5.053 4.469 547 HA TYR 71 HA TYR 71 -9.303 6.572 3.027 548 HB2 TYR 71 HB2 TYR 71 -11.637 7.983 4.349 549 HB3 TYR 71 HB1 TYR 71 -10.163 8.784 3.801 550 HD1 TYR 71 HD1 TYR 71 -9.558 8.787 1.380 551 HD2 TYR 71 HD2 TYR 71 -13.316 7.257 2.789 552 HE1 TYR 71 HE1 TYR 71 -10.461 8.883 -0.927 553 HE2 TYR 71 HE2 TYR 71 -14.219 7.352 0.483 554 HH TYR 71 HH TYR 71 -12.501 8.928 -2.098 555 H LEU 72 HN LEU 72 -8.474 8.314 4.888 556 HA LEU 72 HA LEU 72 -8.106 6.639 7.333 557 HB2 LEU 72 HB2 LEU 72 -6.089 8.692 6.972 558 HB3 LEU 72 HB1 LEU 72 -5.885 6.953 7.170 559 HG LEU 72 HG LEU 72 -6.594 8.342 4.563 560 HD11 LEU 72 HD11 LEU 72 -4.054 7.722 5.894 561 HD12 LEU 72 HD12 LEU 72 -4.376 8.786 4.526 562 HD13 LEU 72 HD13 LEU 72 -4.165 7.055 4.264 563 HD21 LEU 72 HD21 LEU 72 -7.128 6.280 3.811 564 HD22 LEU 72 HD22 LEU 72 -6.884 5.632 5.431 565 HD23 LEU 72 HD23 LEU 72 -5.542 5.683 4.290 566 H SER 73 HN SER 73 -9.523 9.471 6.212 567 HA SER 73 HA SER 73 -9.795 10.427 8.997 568 HB2 SER 73 HB2 SER 73 -8.955 12.600 8.621 569 HB3 SER 73 HB1 SER 73 -7.774 11.558 7.833 570 HG SER 73 HG SER 73 -8.342 12.359 5.972 571 H GLN 74 HN GLN 74 -11.857 11.084 9.325 572 HA GLN 74 HA GLN 74 -13.945 10.779 7.545 573 HB2 GLN 74 HB2 GLN 74 -13.706 12.912 9.683 574 HB3 GLN 74 HB1 GLN 74 -15.215 12.404 8.923 575 HG2 GLN 74 HG2 GLN 74 -13.429 10.329 10.141 576 HG3 GLN 74 HG1 GLN 74 -14.456 11.303 11.193 577 HE21 GLN 74 HE21 GLN 74 -14.551 9.050 8.422 578 HE22 GLN 74 HE22 GLN 74 -16.171 8.596 8.639 579 H ARG 75 HN ARG 75 -11.713 13.474 7.771 580 HA ARG 75 HA ARG 75 -13.118 15.342 6.144 581 HB2 ARG 75 HB2 ARG 75 -11.057 15.802 7.523 582 HB3 ARG 75 HB1 ARG 75 -10.117 14.945 6.302 583 HG2 ARG 75 HG2 ARG 75 -11.603 16.702 4.778 584 HG3 ARG 75 HG1 ARG 75 -11.255 17.646 6.224 585 HD2 ARG 75 HD2 ARG 75 -8.829 16.908 5.970 586 HD3 ARG 75 HD1 ARG 75 -9.278 16.300 4.376 587 HE ARG 75 HE ARG 75 -9.404 18.537 3.612 588 HH11 ARG 75 HH21 ARG 75 -9.307 18.314 7.051 589 HH12 ARG 75 HH22 ARG 75 -9.115 20.019 7.288 590 HH21 ARG 75 HH11 ARG 75 -9.153 20.764 3.902 591 HH22 ARG 75 HH12 ARG 75 -9.029 21.407 5.506 592 H ASP 76 HN ASP 76 -11.085 12.584 5.344 593 HA ASP 76 HA ASP 76 -11.044 13.252 2.492 594 HB2 ASP 76 HB2 ASP 76 -9.926 11.080 4.214 595 HB3 ASP 76 HB1 ASP 76 -10.158 10.737 2.501 596 H LEU 77 HN LEU 77 -12.748 11.064 4.669 597 HA LEU 77 HA LEU 77 -14.191 9.733 2.531 598 HB2 LEU 77 HB2 LEU 77 -13.876 8.574 4.642 599 HB3 LEU 77 HB1 LEU 77 -14.607 9.909 5.524 600 HG LEU 77 HG LEU 77 -16.325 8.874 3.386 601 HD11 LEU 77 HD11 LEU 77 -15.629 7.107 5.743 602 HD12 LEU 77 HD12 LEU 77 -15.229 6.766 4.061 603 HD13 LEU 77 HD13 LEU 77 -16.912 6.805 4.579 604 HD21 LEU 77 HD21 LEU 77 -16.801 9.092 6.368 605 HD22 LEU 77 HD22 LEU 77 -18.000 9.157 5.075 606 HD23 LEU 77 HD23 LEU 77 -16.868 10.490 5.295 607 H GLN 78 HN GLN 78 -14.576 12.544 4.577 608 HA GLN 78 HA GLN 78 -17.348 12.967 3.871 609 HB2 GLN 78 HB2 GLN 78 -16.270 14.018 5.892 610 HB3 GLN 78 HB1 GLN 78 -15.320 15.024 4.797 611 HG2 GLN 78 HG2 GLN 78 -17.256 16.301 5.496 612 HG3 GLN 78 HG1 GLN 78 -17.480 15.854 3.804 613 HE21 GLN 78 HE21 GLN 78 -19.087 14.178 3.309 614 HE22 GLN 78 HE22 GLN 78 -20.246 13.711 4.456 615 H ALA 79 HN ALA 79 -14.204 13.805 2.674 616 HA ALA 79 HA ALA 79 -15.142 15.604 0.605 617 HB1 ALA 79 HB1 ALA 79 -12.567 14.006 0.838 618 HB2 ALA 79 HB2 ALA 79 -12.803 15.670 1.374 619 HB3 ALA 79 HB3 ALA 79 -12.863 15.281 -0.346 620 H HIS 80 HN HIS 80 -15.054 12.161 1.058 621 HA HIS 80 HA HIS 80 -15.024 11.511 -1.776 622 HB2 HIS 80 HB2 HIS 80 -14.387 9.798 -0.189 623 HB3 HIS 80 HB1 HIS 80 -15.948 9.905 0.614 624 HD1 HIS 80 HD1 HIS 80 -14.410 8.828 -2.676 625 HD2 HIS 80 HD2 HIS 80 -17.998 8.454 -0.597 626 HE1 HIS 80 HE1 HIS 80 -15.816 7.162 -3.968 627 H ILE 81 HN ILE 81 -17.549 11.771 0.680 628 HA ILE 81 HA ILE 81 -19.794 11.203 -0.943 629 HB ILE 81 HB ILE 81 -19.955 13.404 1.067 630 HG12 ILE 81 HG12 ILE 81 -18.428 11.964 2.160 631 HG13 ILE 81 HG11 ILE 81 -20.001 11.653 2.878 632 HG21 ILE 81 HG21 ILE 81 -22.008 12.635 0.025 633 HG22 ILE 81 HG22 ILE 81 -22.004 12.144 1.718 634 HG23 ILE 81 HG23 ILE 81 -21.644 10.966 0.459 635 HD11 ILE 81 HD11 ILE 81 -19.417 9.474 2.490 636 HD12 ILE 81 HD12 ILE 81 -18.304 9.898 1.192 637 HD13 ILE 81 HD13 ILE 81 -20.036 9.828 0.879 638 H ASN 82 HN ASN 82 -18.328 14.352 -0.201 639 HA ASN 82 HA ASN 82 -20.074 15.782 -1.987 640 HB2 ASN 82 HB2 ASN 82 -17.348 16.780 -1.213 641 HB3 ASN 82 HB1 ASN 82 -18.849 17.687 -1.403 642 HD21 ASN 82 HD21 ASN 82 -16.863 17.122 0.993 643 HD22 ASN 82 HD22 ASN 82 -17.923 16.750 2.266 644 H HIS 83 HN HIS 83 -17.219 13.890 -2.468 645 HA HIS 83 HA HIS 83 -16.583 15.282 -4.966 646 HB2 HIS 83 HB2 HIS 83 -15.357 12.952 -3.537 647 HB3 HIS 83 HB1 HIS 83 -14.890 13.355 -5.184 648 HD1 HIS 83 HD1 HIS 83 -12.496 14.010 -4.206 649 HD2 HIS 83 HD2 HIS 83 -15.653 16.418 -2.928 650 HE1 HIS 83 HE1 HIS 83 -11.451 16.090 -3.200 651 HE2 HIS 83 HE2 HIS 83 -13.364 17.562 -2.420 652 H ARG 84 HN ARG 84 -18.343 12.350 -4.055 653 HA ARG 84 HA ARG 84 -18.766 11.874 -6.977 654 HB2 ARG 84 HB2 ARG 84 -18.862 9.555 -5.108 655 HB3 ARG 84 HB1 ARG 84 -18.397 9.610 -6.802 656 HG2 ARG 84 HG2 ARG 84 -16.688 10.851 -4.619 657 HG3 ARG 84 HG1 ARG 84 -16.510 9.184 -5.140 658 HD2 ARG 84 HD2 ARG 84 -16.622 11.060 -7.388 659 HD3 ARG 84 HD1 ARG 84 -15.257 11.347 -6.311 660 HE ARG 84 HE ARG 84 -15.291 8.582 -6.745 661 HH11 ARG 84 HH21 ARG 84 -15.099 11.487 -8.592 662 HH12 ARG 84 HH22 ARG 84 -14.138 10.781 -9.849 663 HH21 ARG 84 HH11 ARG 84 -14.037 7.644 -8.375 664 HH22 ARG 84 HH12 ARG 84 -13.536 8.605 -9.725 665 H HIS 85 HN HIS 85 -20.279 12.245 -3.909 666 HA HIS 85 HA HIS 85 -22.838 11.218 -5.046 667 HB2 HIS 85 HB2 HIS 85 -22.263 11.793 -2.141 668 HB3 HIS 85 HB1 HIS 85 -23.590 10.848 -2.816 669 HD1 HIS 85 HD1 HIS 85 -23.204 8.411 -2.529 670 HD2 HIS 85 HD2 HIS 85 -19.616 10.452 -3.113 671 HE1 HIS 85 HE1 HIS 85 -21.368 6.667 -2.465 672 H MET 86 HN MET 86 -21.431 13.848 -3.150 673 HA MET 86 HA MET 86 -22.280 16.000 -2.677 674 HB2 MET 86 HB2 MET 86 -21.645 15.698 -5.313 675 HB3 MET 86 HB1 MET 86 -23.317 16.252 -5.428 676 HG2 MET 86 HG2 MET 86 -22.638 18.069 -3.728 677 HG3 MET 86 HG1 MET 86 -20.974 17.631 -4.115 678 HE1 MET 86 HE1 MET 86 -21.583 20.341 -4.349 679 HE2 MET 86 HE2 MET 86 -23.290 20.341 -4.786 680 HE3 MET 86 HE3 MET 86 -22.107 21.053 -5.881 681 H ARG 87 HN ARG 87 -24.177 13.865 -2.147 682 HA ARG 87 HA ARG 87 -26.569 15.448 -1.881 683 HB2 ARG 87 HB2 ARG 87 -27.024 15.047 -4.175 684 HB3 ARG 87 HB1 ARG 87 -26.463 13.377 -4.078 685 HG2 ARG 87 HG2 ARG 87 -28.388 12.653 -2.965 686 HG3 ARG 87 HG1 ARG 87 -28.782 14.273 -2.388 687 HD2 ARG 87 HD2 ARG 87 -29.625 14.951 -4.468 688 HD3 ARG 87 HD1 ARG 87 -28.759 13.685 -5.339 689 HE ARG 87 HE ARG 87 -30.526 12.188 -4.831 690 HH11 ARG 87 HH21 ARG 87 -30.669 15.097 -2.986 691 HH12 ARG 87 HH22 ARG 87 -32.242 14.768 -2.341 692 HH21 ARG 87 HH11 ARG 87 -32.580 11.742 -3.999 693 HH22 ARG 87 HH12 ARG 87 -33.324 12.867 -2.914 694 H ALA 88 HN ALA 88 -27.228 14.733 0.084 695 HA ALA 88 HA ALA 88 -26.456 12.188 1.173 696 HB1 ALA 88 HB1 ALA 88 -27.962 14.530 2.043 697 HB2 ALA 88 HB2 ALA 88 -26.996 13.406 2.998 698 HB3 ALA 88 HB3 ALA 88 -28.680 13.031 2.632 699 H GLY 89 HN GLY 89 -27.958 10.434 1.783 700 HA2 GLY 89 HA2 GLY 89 -29.795 8.997 1.407 701 HA3 GLY 89 HA1 GLY 89 -30.576 10.297 0.507 Start of MODEL 11 1 H1 VAL 1 HT1 VAL 1 -10.160 -7.668 11.229 2 H2 VAL 1 HT2 VAL 1 -11.061 -7.073 9.918 3 H3 VAL 1 HT3 VAL 1 -9.373 -7.217 9.796 4 HA VAL 1 HA VAL 1 -9.716 -9.183 8.845 5 HB VAL 1 HB VAL 1 -10.012 -11.026 10.356 6 HG11 VAL 1 HG11 VAL 1 -8.122 -9.168 10.740 7 HG12 VAL 1 HG12 VAL 1 -8.275 -10.568 11.803 8 HG13 VAL 1 HG13 VAL 1 -8.951 -9.012 12.288 9 HG21 VAL 1 HG21 VAL 1 -10.838 -10.375 12.761 10 HG22 VAL 1 HG22 VAL 1 -12.026 -10.626 11.484 11 HG23 VAL 1 HG23 VAL 1 -11.557 -8.989 11.942 12 H HIS 2 HN HIS 2 -11.171 -10.194 7.568 13 HA HIS 2 HA HIS 2 -13.927 -10.599 8.234 14 HB2 HIS 2 HB2 HIS 2 -14.174 -8.206 8.017 15 HB3 HIS 2 HB1 HIS 2 -13.267 -8.200 6.504 16 HD1 HIS 2 HD1 HIS 2 -15.532 -7.090 5.506 17 HD2 HIS 2 HD2 HIS 2 -15.809 -11.087 6.662 18 HE1 HIS 2 HE1 HIS 2 -17.631 -8.007 4.422 19 HE2 HIS 2 HE2 HIS 2 -17.810 -10.438 5.121 20 H PHE 3 HN PHE 3 -13.168 -9.407 5.059 21 HA PHE 3 HA PHE 3 -12.377 -11.999 3.994 22 HB2 PHE 3 HB2 PHE 3 -15.064 -11.706 4.370 23 HB3 PHE 3 HB1 PHE 3 -14.887 -11.103 2.725 24 HD1 PHE 3 HD2 PHE 3 -13.786 -13.957 4.900 25 HD2 PHE 3 HD1 PHE 3 -14.856 -12.634 0.956 26 HE1 PHE 3 HE2 PHE 3 -13.622 -16.288 4.074 27 HE2 PHE 3 HE1 PHE 3 -14.694 -14.966 0.131 28 HZ PHE 3 HZ PHE 3 -14.078 -16.792 1.690 29 H CYS 4 HN CYS 4 -10.738 -11.164 2.745 30 HA CYS 4 HA CYS 4 -10.580 -8.696 1.468 31 HB2 CYS 4 HB2 CYS 4 -8.720 -10.296 1.495 32 HB3 CYS 4 HB1 CYS 4 -9.604 -11.361 0.402 33 H ASP 5 HN ASP 5 -11.265 -7.880 -0.549 34 HA ASP 5 HA ASP 5 -13.657 -9.220 -1.625 35 HB2 ASP 5 HB2 ASP 5 -12.446 -6.519 -2.276 36 HB3 ASP 5 HB1 ASP 5 -14.008 -7.108 -2.844 37 H LYS 6 HN LYS 6 -10.333 -8.548 -2.574 38 HA LYS 6 HA LYS 6 -10.916 -9.338 -5.358 39 HB2 LYS 6 HB2 LYS 6 -8.862 -7.814 -4.019 40 HB3 LYS 6 HB1 LYS 6 -8.133 -9.091 -4.990 41 HG2 LYS 6 HG2 LYS 6 -8.393 -7.120 -6.381 42 HG3 LYS 6 HG1 LYS 6 -9.537 -8.342 -6.931 43 HD2 LYS 6 HD2 LYS 6 -10.941 -6.944 -4.961 44 HD3 LYS 6 HD1 LYS 6 -10.050 -5.691 -5.822 45 HE2 LYS 6 HE2 LYS 6 -12.122 -5.955 -6.990 46 HE3 LYS 6 HE1 LYS 6 -10.895 -6.743 -7.982 47 HZ1 LYS 6 HZ1 LYS 6 -12.451 -8.248 -5.972 48 HZ2 LYS 6 HZ2 LYS 6 -11.588 -8.843 -7.309 49 HZ3 LYS 6 HZ3 LYS 6 -13.047 -8.001 -7.541 50 H CYS 7 HN CYS 7 -9.153 -10.543 -2.530 51 HA CYS 7 HA CYS 7 -8.429 -12.991 -4.009 52 HB2 CYS 7 HB2 CYS 7 -7.862 -12.393 -1.105 53 HB3 CYS 7 HB1 CYS 7 -7.009 -13.510 -2.171 54 H GLY 8 HN GLY 8 -10.644 -11.899 -1.517 55 HA2 GLY 8 HA2 GLY 8 -12.627 -13.001 -0.816 56 HA3 GLY 8 HA1 GLY 8 -12.158 -14.397 -1.788 57 H LEU 9 HN LEU 9 -9.619 -13.309 0.182 58 HA LEU 9 HA LEU 9 -10.127 -15.546 2.101 59 HB2 LEU 9 HB2 LEU 9 -7.701 -14.375 0.847 60 HB3 LEU 9 HB1 LEU 9 -7.538 -14.849 2.538 61 HG LEU 9 HG LEU 9 -8.368 -17.103 1.998 62 HD11 LEU 9 HD11 LEU 9 -8.842 -15.790 -0.638 63 HD12 LEU 9 HD12 LEU 9 -9.803 -17.008 0.198 64 HD13 LEU 9 HD13 LEU 9 -8.335 -17.478 -0.656 65 HD21 LEU 9 HD21 LEU 9 -5.981 -16.842 1.878 66 HD22 LEU 9 HD22 LEU 9 -6.087 -16.062 0.299 67 HD23 LEU 9 HD23 LEU 9 -6.456 -17.779 0.461 68 HA PRO 10 HA PRO 10 -10.758 -12.771 5.463 69 HB2 PRO 10 HB2 PRO 10 -8.914 -13.759 7.328 70 HB3 PRO 10 HB1 PRO 10 -10.593 -14.290 7.127 71 HG2 PRO 10 HG2 PRO 10 -8.090 -15.542 6.166 72 HG3 PRO 10 HG1 PRO 10 -9.620 -16.291 6.643 73 HD2 PRO 10 HD2 PRO 10 -8.868 -16.061 4.038 74 HD3 PRO 10 HD1 PRO 10 -10.572 -16.010 4.543 75 H ILE 11 HN ILE 11 -9.943 -10.814 6.159 76 HA ILE 11 HA ILE 11 -7.291 -10.072 5.099 77 HB ILE 11 HB ILE 11 -9.626 -8.481 6.155 78 HG12 ILE 11 HG12 ILE 11 -8.359 -8.617 3.415 79 HG13 ILE 11 HG11 ILE 11 -9.725 -9.623 3.900 80 HG21 ILE 11 HG21 ILE 11 -6.818 -7.726 5.671 81 HG22 ILE 11 HG22 ILE 11 -8.048 -6.900 6.618 82 HG23 ILE 11 HG23 ILE 11 -7.992 -6.690 4.869 83 HD11 ILE 11 HD11 ILE 11 -10.198 -6.860 4.602 84 HD12 ILE 11 HD12 ILE 11 -11.166 -7.936 3.597 85 HD13 ILE 11 HD13 ILE 11 -9.842 -7.013 2.884 86 H LYS 12 HN LYS 12 -6.308 -11.392 6.892 87 HA LYS 12 HA LYS 12 -6.452 -10.869 9.629 88 HB2 LYS 12 HB2 LYS 12 -4.938 -12.560 8.536 89 HB3 LYS 12 HB1 LYS 12 -3.857 -11.236 8.102 90 HG2 LYS 12 HG2 LYS 12 -2.894 -11.468 10.126 91 HG3 LYS 12 HG1 LYS 12 -4.394 -10.865 10.831 92 HD2 LYS 12 HD2 LYS 12 -3.910 -12.991 11.868 93 HD3 LYS 12 HD1 LYS 12 -5.274 -13.231 10.776 94 HE2 LYS 12 HE2 LYS 12 -4.098 -14.857 9.757 95 HE3 LYS 12 HE1 LYS 12 -2.959 -13.627 9.211 96 HZ1 LYS 12 HZ1 LYS 12 -2.836 -15.185 11.734 97 HZ2 LYS 12 HZ2 LYS 12 -1.820 -13.870 11.383 98 HZ3 LYS 12 HZ3 LYS 12 -1.763 -15.271 10.423 99 H VAL 13 HN VAL 13 -4.843 -8.993 7.109 100 HA VAL 13 HA VAL 13 -4.812 -6.658 8.913 101 HB VAL 13 HB VAL 13 -2.392 -7.139 7.267 102 HG11 VAL 13 HG11 VAL 13 -2.692 -5.023 8.475 103 HG12 VAL 13 HG12 VAL 13 -1.329 -5.919 9.146 104 HG13 VAL 13 HG13 VAL 13 -2.877 -5.905 9.991 105 HG21 VAL 13 HG21 VAL 13 -1.326 -8.347 9.198 106 HG22 VAL 13 HG22 VAL 13 -2.587 -9.282 8.395 107 HG23 VAL 13 HG23 VAL 13 -2.924 -8.481 9.931 108 H TYR 14 HN TYR 14 -5.103 -4.754 7.716 109 HA TYR 14 HA TYR 14 -6.149 -5.087 5.047 110 HB2 TYR 14 HB2 TYR 14 -5.633 -2.746 6.828 111 HB3 TYR 14 HB1 TYR 14 -5.960 -2.474 5.123 112 HD1 TYR 14 HD2 TYR 14 -7.296 -4.935 7.622 113 HD2 TYR 14 HD1 TYR 14 -8.174 -1.796 4.828 114 HE1 TYR 14 HE2 TYR 14 -9.717 -5.236 8.047 115 HE2 TYR 14 HE1 TYR 14 -10.595 -2.089 5.259 116 HH TYR 14 HH TYR 14 -12.075 -4.130 6.092 117 H GLY 15 HN GLY 15 -4.786 -5.579 3.433 118 HA2 GLY 15 HA2 GLY 15 -2.048 -4.644 3.320 119 HA3 GLY 15 HA1 GLY 15 -2.901 -5.494 2.025 120 H ARG 16 HN ARG 16 -2.520 -2.361 3.582 121 HA ARG 16 HA ARG 16 -4.152 -0.840 1.808 122 HB2 ARG 16 HB2 ARG 16 -2.933 -0.171 4.036 123 HB3 ARG 16 HB1 ARG 16 -1.599 0.232 2.970 124 HG2 ARG 16 HG2 ARG 16 -2.720 2.269 3.042 125 HG3 ARG 16 HG1 ARG 16 -3.390 1.541 1.589 126 HD2 ARG 16 HD2 ARG 16 -5.466 1.574 2.455 127 HD3 ARG 16 HD1 ARG 16 -4.948 0.740 3.912 128 HE ARG 16 HE ARG 16 -5.529 3.520 3.750 129 HH11 ARG 16 HH21 ARG 16 -3.126 1.340 4.919 130 HH12 ARG 16 HH22 ARG 16 -2.660 2.353 6.242 131 HH21 ARG 16 HH11 ARG 16 -4.934 4.850 5.477 132 HH22 ARG 16 HH12 ARG 16 -3.680 4.338 6.557 133 H MET 17 HN MET 17 -3.723 0.145 -0.140 134 HA MET 17 HA MET 17 -1.038 -0.337 -1.361 135 HB2 MET 17 HB2 MET 17 -3.658 -0.469 -2.875 136 HB3 MET 17 HB1 MET 17 -2.060 -0.939 -3.444 137 HG2 MET 17 HG2 MET 17 -2.234 -2.529 -1.273 138 HG3 MET 17 HG1 MET 17 -3.945 -2.403 -1.681 139 HE1 MET 17 HE1 MET 17 -0.513 -4.050 -4.186 140 HE2 MET 17 HE2 MET 17 -0.680 -4.315 -2.455 141 HE3 MET 17 HE3 MET 17 -0.485 -2.677 -3.071 142 H ILE 18 HN ILE 18 -0.164 1.550 -2.087 143 HA ILE 18 HA ILE 18 -1.987 3.861 -2.607 144 HB ILE 18 HB ILE 18 0.467 5.000 -2.259 145 HG12 ILE 18 HG12 ILE 18 0.368 2.667 -0.342 146 HG13 ILE 18 HG11 ILE 18 1.413 2.772 -1.758 147 HG21 ILE 18 HG21 ILE 18 -0.286 5.555 0.018 148 HG22 ILE 18 HG22 ILE 18 -1.433 4.217 -0.019 149 HG23 ILE 18 HG23 ILE 18 -1.661 5.603 -1.083 150 HD11 ILE 18 HD11 ILE 18 1.900 3.833 0.828 151 HD12 ILE 18 HD12 ILE 18 1.649 5.202 -0.253 152 HD13 ILE 18 HD13 ILE 18 2.899 4.012 -0.614 153 HA PRO 19 HA PRO 19 -1.313 5.990 -3.336 154 HB2 PRO 19 HB2 PRO 19 -1.990 7.505 -5.464 155 HB3 PRO 19 HB1 PRO 19 -0.317 7.392 -4.883 156 HG2 PRO 19 HG2 PRO 19 -1.597 6.096 -7.223 157 HG3 PRO 19 HG1 PRO 19 0.049 6.716 -7.033 158 HD2 PRO 19 HD2 PRO 19 -0.689 4.024 -6.839 159 HD3 PRO 19 HD1 PRO 19 0.824 4.721 -6.224 160 H CYS 20 HN CYS 20 -2.725 3.641 -5.266 161 HA CYS 20 HA CYS 20 -5.313 4.654 -5.808 162 HB2 CYS 20 HB2 CYS 20 -4.708 2.528 -6.732 163 HB3 CYS 20 HB1 CYS 20 -4.357 1.864 -5.136 164 H LYS 21 HN LYS 21 -3.929 3.332 -2.849 165 HA LYS 21 HA LYS 21 -4.650 3.612 -0.632 166 HB2 LYS 21 HB2 LYS 21 -5.788 5.766 -1.847 167 HB3 LYS 21 HB1 LYS 21 -7.232 4.879 -1.361 168 HG2 LYS 21 HG2 LYS 21 -6.415 4.785 0.955 169 HG3 LYS 21 HG1 LYS 21 -4.944 5.635 0.482 170 HD2 LYS 21 HD2 LYS 21 -7.507 6.935 -0.269 171 HD3 LYS 21 HD1 LYS 21 -7.114 6.913 1.450 172 HE2 LYS 21 HE2 LYS 21 -5.048 8.053 1.093 173 HE3 LYS 21 HE1 LYS 21 -5.131 7.803 -0.651 174 HZ1 LYS 21 HZ1 LYS 21 -7.051 9.430 0.925 175 HZ2 LYS 21 HZ2 LYS 21 -7.039 9.240 -0.764 176 HZ3 LYS 21 HZ3 LYS 21 -5.769 10.061 0.010 177 H HIS 22 HN HIS 22 -5.354 1.425 -2.485 178 HA HIS 22 HA HIS 22 -8.033 0.601 -1.535 179 HB2 HIS 22 HB2 HIS 22 -6.326 -0.031 -3.808 180 HB3 HIS 22 HB1 HIS 22 -6.915 -1.486 -3.015 181 HD2 HIS 22 HD2 HIS 22 -9.976 -0.476 -2.270 182 HE1 HIS 22 HE1 HIS 22 -10.304 0.328 -6.403 183 HE2 HIS 22 HE2 HIS 22 -11.606 -0.024 -4.255 184 H VAL 23 HN VAL 23 -8.222 -1.697 -0.634 185 HA VAL 23 HA VAL 23 -5.765 -2.480 0.878 186 HB VAL 23 HB VAL 23 -7.186 -3.009 2.830 187 HG11 VAL 23 HG11 VAL 23 -6.487 -0.961 3.441 188 HG12 VAL 23 HG12 VAL 23 -8.024 -0.341 2.847 189 HG13 VAL 23 HG13 VAL 23 -6.614 -0.357 1.796 190 HG21 VAL 23 HG21 VAL 23 -9.309 -3.414 1.805 191 HG22 VAL 23 HG22 VAL 23 -9.326 -1.817 1.056 192 HG23 VAL 23 HG23 VAL 23 -9.511 -1.974 2.803 193 H PHE 24 HN PHE 24 -5.517 -4.693 1.291 194 HA PHE 24 HA PHE 24 -7.613 -6.599 0.494 195 HB2 PHE 24 HB2 PHE 24 -4.918 -6.762 -0.870 196 HB3 PHE 24 HB1 PHE 24 -6.342 -7.748 -1.186 197 HD1 PHE 24 HD2 PHE 24 -8.447 -6.592 -2.068 198 HD2 PHE 24 HD1 PHE 24 -4.583 -4.741 -1.996 199 HE1 PHE 24 HE2 PHE 24 -9.205 -4.954 -3.763 200 HE2 PHE 24 HE1 PHE 24 -5.333 -3.103 -3.686 201 HZ PHE 24 HZ PHE 24 -7.638 -3.209 -4.586 202 H CYS 25 HN CYS 25 -6.739 -8.926 0.949 203 HA CYS 25 HA CYS 25 -5.722 -9.043 3.571 204 HB2 CYS 25 HB2 CYS 25 -4.756 -11.389 2.508 205 HB3 CYS 25 HB1 CYS 25 -6.405 -11.162 3.088 206 H TYR 26 HN TYR 26 -3.866 -8.081 4.188 207 HA TYR 26 HA TYR 26 -1.698 -7.324 2.621 208 HB2 TYR 26 HB2 TYR 26 -2.016 -6.685 4.995 209 HB3 TYR 26 HB1 TYR 26 -1.591 -8.324 5.470 210 HD1 TYR 26 HD1 TYR 26 -0.097 -5.787 3.078 211 HD2 TYR 26 HD2 TYR 26 0.525 -8.456 6.395 212 HE1 TYR 26 HE1 TYR 26 2.289 -5.171 3.128 213 HE2 TYR 26 HE2 TYR 26 2.918 -7.836 6.434 214 HH TYR 26 HH TYR 26 4.262 -5.531 4.068 215 H ASP 27 HN ASP 27 -2.557 -10.523 3.562 216 HA ASP 27 HA ASP 27 0.096 -11.654 3.176 217 HB2 ASP 27 HB2 ASP 27 -2.513 -12.611 3.975 218 HB3 ASP 27 HB1 ASP 27 -1.858 -13.652 2.710 219 H CYS 28 HN CYS 28 -2.764 -11.086 1.235 220 HA CYS 28 HA CYS 28 -1.627 -12.422 -1.105 221 HB2 CYS 28 HB2 CYS 28 -3.658 -11.883 -2.202 222 HB3 CYS 28 HB1 CYS 28 -4.146 -12.159 -0.530 223 H ALA 29 HN ALA 29 -1.771 -9.217 0.268 224 HA ALA 29 HA ALA 29 -1.080 -7.811 -2.138 225 HB1 ALA 29 HB1 ALA 29 -1.011 -5.935 -0.775 226 HB2 ALA 29 HB2 ALA 29 -0.191 -6.792 0.532 227 HB3 ALA 29 HB3 ALA 29 -1.922 -7.008 0.288 228 H ILE 30 HN ILE 30 0.795 -9.387 0.424 229 HA ILE 30 HA ILE 30 3.319 -8.501 -0.760 230 HB ILE 30 HB ILE 30 4.355 -9.795 1.010 231 HG12 ILE 30 HG12 ILE 30 1.552 -10.793 1.597 232 HG13 ILE 30 HG11 ILE 30 2.861 -11.775 0.949 233 HG21 ILE 30 HG21 ILE 30 3.846 -8.078 2.354 234 HG22 ILE 30 HG22 ILE 30 2.284 -8.804 2.719 235 HG23 ILE 30 HG23 ILE 30 2.451 -7.721 1.340 236 HD11 ILE 30 HD11 ILE 30 3.487 -12.231 3.056 237 HD12 ILE 30 HD12 ILE 30 2.314 -11.083 3.701 238 HD13 ILE 30 HD13 ILE 30 3.924 -10.532 3.238 239 H LEU 31 HN LEU 31 1.295 -11.406 -0.742 240 HA LEU 31 HA LEU 31 3.314 -13.008 -2.099 241 HB2 LEU 31 HB2 LEU 31 0.400 -13.354 -1.493 242 HB3 LEU 31 HB1 LEU 31 1.165 -14.416 -2.669 243 HG LEU 31 HG LEU 31 2.515 -13.957 -0.033 244 HD11 LEU 31 HD11 LEU 31 -0.033 -15.442 -0.512 245 HD12 LEU 31 HD12 LEU 31 0.518 -14.596 0.934 246 HD13 LEU 31 HD13 LEU 31 1.164 -16.190 0.545 247 HD21 LEU 31 HD21 LEU 31 2.261 -16.587 -1.434 248 HD22 LEU 31 HD22 LEU 31 3.638 -15.910 -0.562 249 HD23 LEU 31 HD23 LEU 31 3.263 -15.350 -2.192 250 H HIS 32 HN HIS 32 0.934 -10.664 -3.080 251 HA HIS 32 HA HIS 32 0.915 -11.548 -5.869 252 HB2 HIS 32 HB2 HIS 32 -0.205 -9.193 -4.372 253 HB3 HIS 32 HB1 HIS 32 -0.112 -9.147 -6.131 254 HD1 HIS 32 HD1 HIS 32 -2.423 -9.668 -6.939 255 HD2 HIS 32 HD2 HIS 32 -1.254 -12.220 -3.854 256 HE1 HIS 32 HE1 HIS 32 -4.272 -11.383 -6.687 257 HE2 HIS 32 HE2 HIS 32 -3.571 -12.940 -4.811 258 H GLU 33 HN GLU 33 2.450 -8.962 -3.972 259 HA GLU 33 HA GLU 33 3.877 -7.909 -6.280 260 HB2 GLU 33 HB2 GLU 33 4.687 -6.296 -4.844 261 HB3 GLU 33 HB1 GLU 33 3.277 -6.818 -3.928 262 HG2 GLU 33 HG2 GLU 33 4.839 -8.512 -2.793 263 HG3 GLU 33 HG1 GLU 33 6.167 -7.581 -3.488 264 H LYS 34 HN LYS 34 4.517 -10.360 -3.843 265 HA LYS 34 HA LYS 34 7.358 -10.537 -4.492 266 HB2 LYS 34 HB2 LYS 34 5.467 -12.242 -2.864 267 HB3 LYS 34 HB1 LYS 34 7.130 -12.737 -3.174 268 HG2 LYS 34 HG2 LYS 34 8.019 -10.840 -2.045 269 HG3 LYS 34 HG1 LYS 34 6.456 -10.025 -2.028 270 HD2 LYS 34 HD2 LYS 34 5.643 -11.313 -0.288 271 HD3 LYS 34 HD1 LYS 34 6.656 -12.697 -0.703 272 HE2 LYS 34 HE2 LYS 34 8.569 -11.755 0.303 273 HE3 LYS 34 HE1 LYS 34 7.884 -10.130 0.293 274 HZ1 LYS 34 HZ1 LYS 34 6.102 -11.191 1.807 275 HZ2 LYS 34 HZ2 LYS 34 7.608 -10.770 2.471 276 HZ3 LYS 34 HZ3 LYS 34 7.273 -12.389 2.078 277 H LYS 35 HN LYS 35 4.369 -12.058 -5.526 278 HA LYS 35 HA LYS 35 5.708 -14.182 -6.983 279 HB2 LYS 35 HB2 LYS 35 2.875 -13.172 -6.869 280 HB3 LYS 35 HB1 LYS 35 3.358 -14.376 -8.063 281 HG2 LYS 35 HG2 LYS 35 4.040 -15.921 -6.357 282 HG3 LYS 35 HG1 LYS 35 3.882 -14.694 -5.099 283 HD2 LYS 35 HD2 LYS 35 1.635 -14.979 -4.936 284 HD3 LYS 35 HD1 LYS 35 1.434 -15.108 -6.684 285 HE2 LYS 35 HE2 LYS 35 2.511 -17.307 -4.894 286 HE3 LYS 35 HE1 LYS 35 0.868 -17.233 -5.528 287 HZ1 LYS 35 HZ1 LYS 35 2.041 -18.590 -7.005 288 HZ2 LYS 35 HZ2 LYS 35 3.397 -17.566 -7.027 289 HZ3 LYS 35 HZ3 LYS 35 1.955 -17.090 -7.791 290 H GLY 36 HN GLY 36 5.411 -10.904 -7.524 291 HA2 GLY 36 HA2 GLY 36 6.462 -9.876 -9.466 292 HA3 GLY 36 HA1 GLY 36 5.996 -11.281 -10.425 293 H ASP 37 HN ASP 37 3.877 -9.614 -8.163 294 HA ASP 37 HA ASP 37 2.367 -8.427 -10.430 295 HB2 ASP 37 HB2 ASP 37 1.472 -10.735 -9.510 296 HB3 ASP 37 HB1 ASP 37 0.861 -9.737 -8.190 297 H LYS 38 HN LYS 38 3.925 -6.819 -9.043 298 HA LYS 38 HA LYS 38 2.859 -5.816 -6.564 299 HB2 LYS 38 HB2 LYS 38 4.218 -3.693 -7.438 300 HB3 LYS 38 HB1 LYS 38 5.049 -5.133 -6.847 301 HG2 LYS 38 HG2 LYS 38 5.599 -5.863 -8.994 302 HG3 LYS 38 HG1 LYS 38 4.286 -4.956 -9.746 303 HD2 LYS 38 HD2 LYS 38 6.382 -3.388 -8.319 304 HD3 LYS 38 HD1 LYS 38 6.828 -4.116 -9.862 305 HE2 LYS 38 HE2 LYS 38 4.243 -2.605 -9.638 306 HE3 LYS 38 HE1 LYS 38 5.754 -1.716 -9.825 307 HZ1 LYS 38 HZ1 LYS 38 5.870 -2.280 -11.953 308 HZ2 LYS 38 HZ2 LYS 38 4.283 -2.874 -11.826 309 HZ3 LYS 38 HZ3 LYS 38 5.605 -3.921 -11.619 310 H MET 39 HN MET 39 1.134 -5.980 -9.187 311 HA MET 39 HA MET 39 0.272 -3.165 -9.362 312 HB2 MET 39 HB2 MET 39 0.163 -5.470 -11.087 313 HB3 MET 39 HB1 MET 39 -1.462 -4.823 -10.857 314 HG2 MET 39 HG2 MET 39 -0.668 -2.577 -11.469 315 HG3 MET 39 HG1 MET 39 0.966 -3.207 -11.681 316 HE1 MET 39 HE1 MET 39 -0.854 -1.609 -13.965 317 HE2 MET 39 HE2 MET 39 -0.078 -2.457 -15.300 318 HE3 MET 39 HE3 MET 39 0.870 -1.998 -13.888 319 H CYS 40 HN CYS 40 -1.553 -2.403 -8.348 320 HA CYS 40 HA CYS 40 -2.755 -3.597 -6.170 321 HB2 CYS 40 HB2 CYS 40 -3.164 -1.267 -6.772 322 HB3 CYS 40 HB1 CYS 40 -4.066 -1.773 -8.199 323 HA PRO 41 HA PRO 41 -4.609 -7.162 -8.398 324 HB2 PRO 41 HB2 PRO 41 -5.895 -7.510 -5.729 325 HB3 PRO 41 HB1 PRO 41 -5.054 -8.700 -6.740 326 HG2 PRO 41 HG2 PRO 41 -3.931 -7.653 -4.555 327 HG3 PRO 41 HG1 PRO 41 -2.987 -8.075 -5.992 328 HD2 PRO 41 HD2 PRO 41 -3.761 -5.389 -4.977 329 HD3 PRO 41 HD1 PRO 41 -2.346 -5.872 -5.936 330 H GLY 42 HN GLY 42 -6.110 -4.511 -6.746 331 HA2 GLY 42 HA2 GLY 42 -8.806 -5.269 -7.764 332 HA3 GLY 42 HA1 GLY 42 -8.474 -3.978 -6.616 333 H CYS 43 HN CYS 43 -6.592 -2.442 -7.870 334 HA CYS 43 HA CYS 43 -8.163 -1.367 -10.124 335 HB2 CYS 43 HB2 CYS 43 -5.741 -0.221 -8.710 336 HB3 CYS 43 HB1 CYS 43 -6.732 0.619 -9.902 337 H SER 44 HN SER 44 -5.096 -2.911 -9.489 338 HA SER 44 HA SER 44 -3.616 -3.923 -11.008 339 HB2 SER 44 HB2 SER 44 -4.364 -4.434 -13.123 340 HB3 SER 44 HB1 SER 44 -5.906 -3.996 -12.397 341 HG SER 44 HG SER 44 -5.038 -2.962 -14.505 342 H ASP 45 HN ASP 45 -3.005 -1.478 -9.897 343 HA ASP 45 HA ASP 45 -1.577 -0.110 -12.129 344 HB2 ASP 45 HB2 ASP 45 -3.448 0.989 -10.177 345 HB3 ASP 45 HB1 ASP 45 -1.884 1.804 -10.128 346 HA PRO 46 HA PRO 46 2.171 -0.709 -9.916 347 HB2 PRO 46 HB2 PRO 46 3.219 1.890 -9.876 348 HB3 PRO 46 HB1 PRO 46 3.415 0.713 -11.188 349 HG2 PRO 46 HG2 PRO 46 1.552 3.005 -10.964 350 HG3 PRO 46 HG1 PRO 46 2.339 2.317 -12.394 351 HD2 PRO 46 HD2 PRO 46 -0.287 1.891 -11.847 352 HD3 PRO 46 HD1 PRO 46 0.720 0.675 -12.667 353 H VAL 47 HN VAL 47 1.357 -1.179 -7.802 354 HA VAL 47 HA VAL 47 0.409 0.758 -5.945 355 HB VAL 47 HB VAL 47 0.739 -0.905 -4.249 356 HG11 VAL 47 HG11 VAL 47 -0.459 -1.465 -6.815 357 HG12 VAL 47 HG12 VAL 47 -0.988 -1.972 -5.222 358 HG13 VAL 47 HG13 VAL 47 0.163 -2.957 -6.117 359 HG21 VAL 47 HG21 VAL 47 2.815 -1.890 -6.164 360 HG22 VAL 47 HG22 VAL 47 1.982 -3.080 -5.165 361 HG23 VAL 47 HG23 VAL 47 2.880 -1.766 -4.406 362 H GLN 48 HN GLN 48 1.613 2.554 -5.457 363 HA GLN 48 HA GLN 48 4.354 2.936 -5.729 364 HB2 GLN 48 HB2 GLN 48 2.938 4.826 -5.215 365 HB3 GLN 48 HB1 GLN 48 2.459 4.110 -3.674 366 HG2 GLN 48 HG2 GLN 48 4.384 4.743 -2.633 367 HG3 GLN 48 HG1 GLN 48 5.376 4.414 -4.055 368 HE21 GLN 48 HE21 GLN 48 4.874 6.073 -5.963 369 HE22 GLN 48 HE22 GLN 48 4.732 7.697 -5.490 370 H ARG 49 HN ARG 49 2.655 2.065 -2.737 371 HA ARG 49 HA ARG 49 4.732 0.165 -2.073 372 HB2 ARG 49 HB2 ARG 49 6.079 1.491 -0.861 373 HB3 ARG 49 HB1 ARG 49 5.031 2.868 -1.170 374 HG2 ARG 49 HG2 ARG 49 3.642 2.275 0.770 375 HG3 ARG 49 HG1 ARG 49 4.639 0.845 1.062 376 HD2 ARG 49 HD2 ARG 49 5.883 3.582 0.931 377 HD3 ARG 49 HD1 ARG 49 5.148 2.997 2.424 378 HE ARG 49 HE ARG 49 6.920 0.990 1.436 379 HH11 ARG 49 HH21 ARG 49 6.868 4.170 2.767 380 HH12 ARG 49 HH22 ARG 49 8.427 4.029 3.508 381 HH21 ARG 49 HH11 ARG 49 8.955 0.787 2.396 382 HH22 ARG 49 HH12 ARG 49 9.609 2.114 3.298 383 H ILE 50 HN ILE 50 3.844 -1.408 -0.820 384 HA ILE 50 HA ILE 50 1.051 -1.053 -0.029 385 HB ILE 50 HB ILE 50 2.640 -3.485 0.684 386 HG12 ILE 50 HG12 ILE 50 1.632 -2.810 -2.097 387 HG13 ILE 50 HG11 ILE 50 3.320 -2.945 -1.624 388 HG21 ILE 50 HG21 ILE 50 -0.135 -3.170 -0.470 389 HG22 ILE 50 HG22 ILE 50 0.205 -3.137 1.260 390 HG23 ILE 50 HG23 ILE 50 0.543 -4.589 0.323 391 HD11 ILE 50 HD11 ILE 50 2.587 -5.015 -2.687 392 HD12 ILE 50 HD12 ILE 50 1.275 -5.179 -1.526 393 HD13 ILE 50 HD13 ILE 50 2.950 -5.308 -0.989 394 H GLU 51 HN GLU 51 0.301 -1.110 2.053 395 HA GLU 51 HA GLU 51 2.315 -1.201 4.239 396 HB2 GLU 51 HB2 GLU 51 0.208 0.951 4.197 397 HB3 GLU 51 HB1 GLU 51 1.646 0.843 5.212 398 HG2 GLU 51 HG2 GLU 51 3.051 1.004 3.157 399 HG3 GLU 51 HG1 GLU 51 1.582 1.274 2.219 400 H GLN 52 HN GLN 52 1.419 -1.611 6.319 401 HA GLN 52 HA GLN 52 -1.016 -3.281 6.144 402 HB2 GLN 52 HB2 GLN 52 1.205 -3.025 8.171 403 HB3 GLN 52 HB1 GLN 52 -0.268 -3.930 8.517 404 HG2 GLN 52 HG2 GLN 52 0.206 -5.572 6.953 405 HG3 GLN 52 HG1 GLN 52 1.174 -4.487 5.954 406 HE21 GLN 52 HE21 GLN 52 1.244 -6.499 8.883 407 HE22 GLN 52 HE22 GLN 52 2.933 -6.488 9.056 408 H CYS 53 HN CYS 53 -2.908 -2.733 7.143 409 HA CYS 53 HA CYS 53 -2.881 -0.446 9.056 410 HB2 CYS 53 HB2 CYS 53 -3.878 -0.318 6.445 411 HB3 CYS 53 HB1 CYS 53 -5.304 -0.519 7.461 412 H THR 54 HN THR 54 -4.623 -0.473 10.598 413 HA THR 54 HA THR 54 -5.514 -3.188 11.241 414 HB THR 54 HB THR 54 -6.748 -1.330 12.977 415 HG1 THR 54 HG1 THR 54 -4.336 -0.496 13.412 416 HG21 THR 54 HG21 THR 54 -4.177 -2.911 13.262 417 HG22 THR 54 HG22 THR 54 -5.801 -3.516 13.590 418 HG23 THR 54 HG23 THR 54 -5.117 -2.237 14.594 419 H ARG 55 HN ARG 55 -7.799 -3.688 11.649 420 HA ARG 55 HA ARG 55 -9.521 -3.169 9.532 421 HB2 ARG 55 HB2 ARG 55 -10.004 -4.938 11.116 422 HB3 ARG 55 HB1 ARG 55 -10.226 -3.763 12.414 423 HG2 ARG 55 HG2 ARG 55 -12.302 -3.129 11.672 424 HG3 ARG 55 HG1 ARG 55 -11.883 -3.369 9.975 425 HD2 ARG 55 HD2 ARG 55 -13.561 -5.028 11.035 426 HD3 ARG 55 HD1 ARG 55 -12.230 -5.703 10.097 427 HE ARG 55 HE ARG 55 -11.421 -6.677 12.082 428 HH11 ARG 55 HH21 ARG 55 -13.567 -4.054 12.714 429 HH12 ARG 55 HH22 ARG 55 -13.574 -4.298 14.429 430 HH21 ARG 55 HH11 ARG 55 -11.419 -7.012 14.318 431 HH22 ARG 55 HH12 ARG 55 -12.358 -5.973 15.337 432 H GLY 56 HN GLY 56 -10.237 -1.761 12.729 433 HA2 GLY 56 HA2 GLY 56 -11.845 0.322 11.569 434 HA3 GLY 56 HA1 GLY 56 -11.299 0.268 13.244 435 H SER 57 HN SER 57 -8.996 0.176 10.569 436 HA SER 57 HA SER 57 -7.853 2.694 11.601 437 HB2 SER 57 HB2 SER 57 -5.911 2.164 10.313 438 HB3 SER 57 HB1 SER 57 -6.456 0.642 11.014 439 HG SER 57 HG SER 57 -5.963 0.618 8.705 440 H LEU 58 HN LEU 58 -9.832 1.598 9.013 441 HA LEU 58 HA LEU 58 -9.485 4.223 7.616 442 HB2 LEU 58 HB2 LEU 58 -10.628 1.804 6.261 443 HB3 LEU 58 HB1 LEU 58 -9.831 3.204 5.554 444 HG LEU 58 HG LEU 58 -8.460 1.068 7.214 445 HD11 LEU 58 HD11 LEU 58 -9.189 0.307 4.968 446 HD12 LEU 58 HD12 LEU 58 -7.432 0.408 5.093 447 HD13 LEU 58 HD13 LEU 58 -8.330 1.668 4.246 448 HD21 LEU 58 HD21 LEU 58 -6.536 2.455 5.828 449 HD22 LEU 58 HD22 LEU 58 -6.956 2.757 7.512 450 HD23 LEU 58 HD23 LEU 58 -7.670 3.741 6.234 451 H PHE 59 HN PHE 59 -11.551 4.736 6.286 452 HA PHE 59 HA PHE 59 -13.933 4.205 8.017 453 HB2 PHE 59 HB2 PHE 59 -13.323 6.646 6.328 454 HB3 PHE 59 HB1 PHE 59 -14.763 6.414 7.321 455 HD1 PHE 59 HD2 PHE 59 -11.024 6.456 7.539 456 HD2 PHE 59 HD1 PHE 59 -14.758 7.073 9.572 457 HE1 PHE 59 HE2 PHE 59 -9.805 7.316 9.520 458 HE2 PHE 59 HE1 PHE 59 -13.538 7.933 11.552 459 HZ PHE 59 HZ PHE 59 -11.062 8.055 11.526 460 H MET 60 HN MET 60 -15.413 2.950 7.003 461 HA MET 60 HA MET 60 -15.269 2.573 4.094 462 HB2 MET 60 HB2 MET 60 -16.552 1.208 6.385 463 HB3 MET 60 HB1 MET 60 -17.449 1.141 4.867 464 HG2 MET 60 HG2 MET 60 -15.651 0.097 3.722 465 HG3 MET 60 HG1 MET 60 -14.500 0.504 4.996 466 HE1 MET 60 HE1 MET 60 -14.308 -2.338 4.074 467 HE2 MET 60 HE2 MET 60 -14.297 -3.173 5.625 468 HE3 MET 60 HE3 MET 60 -13.491 -1.615 5.466 469 H CYS 61 HN CYS 61 -16.866 3.164 2.622 470 HA CYS 61 HA CYS 61 -18.744 5.274 3.558 471 HB2 CYS 61 HB2 CYS 61 -17.401 5.978 1.695 472 HB3 CYS 61 HB1 CYS 61 -17.728 4.484 0.816 473 H SER 62 HN SER 62 -20.982 5.071 3.254 474 HA SER 62 HA SER 62 -21.989 2.576 1.978 475 HB2 SER 62 HB2 SER 62 -23.611 2.396 3.959 476 HB3 SER 62 HB1 SER 62 -21.945 1.913 4.261 477 HG SER 62 HG SER 62 -21.587 3.990 5.135 478 H ILE 63 HN ILE 63 -22.481 4.347 0.365 479 HA ILE 63 HA ILE 63 -24.870 5.965 1.135 480 HB ILE 63 HB ILE 63 -22.932 6.200 -1.181 481 HG12 ILE 63 HG12 ILE 63 -22.464 6.998 1.308 482 HG13 ILE 63 HG11 ILE 63 -22.007 8.005 -0.063 483 HG21 ILE 63 HG21 ILE 63 -24.261 8.389 -1.546 484 HG22 ILE 63 HG22 ILE 63 -25.527 7.620 -0.587 485 HG23 ILE 63 HG23 ILE 63 -24.996 6.885 -2.099 486 HD11 ILE 63 HD11 ILE 63 -24.709 8.279 1.263 487 HD12 ILE 63 HD12 ILE 63 -23.886 9.434 0.219 488 HD13 ILE 63 HD13 ILE 63 -23.297 9.149 1.855 489 H VAL 64 HN VAL 64 -23.804 4.618 -1.992 490 HA VAL 64 HA VAL 64 -26.591 3.729 -2.470 491 HB VAL 64 HB VAL 64 -25.363 3.090 -4.758 492 HG11 VAL 64 HG11 VAL 64 -26.349 5.725 -3.710 493 HG12 VAL 64 HG12 VAL 64 -27.086 4.657 -4.903 494 HG13 VAL 64 HG13 VAL 64 -25.687 5.638 -5.343 495 HG21 VAL 64 HG21 VAL 64 -23.461 4.446 -5.228 496 HG22 VAL 64 HG22 VAL 64 -23.137 3.736 -3.647 497 HG23 VAL 64 HG23 VAL 64 -23.691 5.407 -3.767 498 H GLN 65 HN GLN 65 -24.238 2.409 -0.793 499 HA GLN 65 HA GLN 65 -23.616 0.206 -0.279 500 HB2 GLN 65 HB2 GLN 65 -26.279 0.140 -0.591 501 HB3 GLN 65 HB1 GLN 65 -25.831 -0.900 -1.943 502 HG2 GLN 65 HG2 GLN 65 -25.186 -1.283 0.986 503 HG3 GLN 65 HG1 GLN 65 -26.090 -2.362 -0.076 504 HE21 GLN 65 HE21 GLN 65 -24.856 -3.602 -1.694 505 HE22 GLN 65 HE22 GLN 65 -23.180 -3.812 -1.531 506 H GLY 66 HN GLY 66 -22.308 1.356 -2.484 507 HA2 GLY 66 HA2 GLY 66 -21.681 -1.094 -4.026 508 HA3 GLY 66 HA1 GLY 66 -22.153 0.333 -4.950 509 H CYS 67 HN CYS 67 -20.910 2.398 -3.769 510 HA CYS 67 HA CYS 67 -18.166 2.077 -4.551 511 HB2 CYS 67 HB2 CYS 67 -18.175 4.331 -4.443 512 HB3 CYS 67 HB1 CYS 67 -19.865 4.223 -3.950 513 H LYS 68 HN LYS 68 -16.276 2.094 -3.190 514 HA LYS 68 HA LYS 68 -16.660 1.707 -0.289 515 HB2 LYS 68 HB2 LYS 68 -16.851 -0.556 -1.577 516 HB3 LYS 68 HB1 LYS 68 -15.107 -0.394 -1.788 517 HG2 LYS 68 HG2 LYS 68 -14.943 -0.048 0.721 518 HG3 LYS 68 HG1 LYS 68 -16.640 -0.519 0.819 519 HD2 LYS 68 HD2 LYS 68 -15.492 -2.492 -0.780 520 HD3 LYS 68 HD1 LYS 68 -14.277 -2.194 0.464 521 HE2 LYS 68 HE2 LYS 68 -16.006 -2.480 2.212 522 HE3 LYS 68 HE1 LYS 68 -17.205 -2.810 0.963 523 HZ1 LYS 68 HZ1 LYS 68 -16.409 -4.862 0.619 524 HZ2 LYS 68 HZ2 LYS 68 -15.750 -4.691 2.176 525 HZ3 LYS 68 HZ3 LYS 68 -14.790 -4.397 0.806 526 H ARG 69 HN ARG 69 -15.404 3.811 -1.675 527 HA ARG 69 HA ARG 69 -12.524 3.316 -1.757 528 HB2 ARG 69 HB2 ARG 69 -14.287 5.728 -2.126 529 HB3 ARG 69 HB1 ARG 69 -12.545 5.925 -1.934 530 HG2 ARG 69 HG2 ARG 69 -13.139 5.760 -4.318 531 HG3 ARG 69 HG1 ARG 69 -12.166 4.374 -3.823 532 HD2 ARG 69 HD2 ARG 69 -14.023 2.922 -3.803 533 HD3 ARG 69 HD1 ARG 69 -15.177 4.256 -3.742 534 HE ARG 69 HE ARG 69 -13.749 4.516 -6.167 535 HH11 ARG 69 HH21 ARG 69 -15.857 2.319 -4.550 536 HH12 ARG 69 HH22 ARG 69 -16.551 1.701 -6.011 537 HH21 ARG 69 HH11 ARG 69 -14.645 3.723 -8.085 538 HH22 ARG 69 HH12 ARG 69 -15.865 2.496 -8.013 539 H THR 70 HN THR 70 -12.162 2.581 0.438 540 HA THR 70 HA THR 70 -12.915 4.029 2.769 541 HB THR 70 HB THR 70 -10.448 2.888 3.369 542 HG1 THR 70 HG1 THR 70 -11.642 0.883 1.944 543 HG21 THR 70 HG21 THR 70 -11.826 1.053 4.312 544 HG22 THR 70 HG22 THR 70 -13.216 1.665 3.413 545 HG23 THR 70 HG23 THR 70 -12.487 2.645 4.686 546 H TYR 71 HN TYR 71 -11.025 4.953 4.248 547 HA TYR 71 HA TYR 71 -8.943 6.406 2.825 548 HB2 TYR 71 HB2 TYR 71 -11.388 7.836 3.863 549 HB3 TYR 71 HB1 TYR 71 -9.840 8.658 3.680 550 HD1 TYR 71 HD2 TYR 71 -8.720 8.702 1.414 551 HD2 TYR 71 HD1 TYR 71 -12.762 7.360 1.972 552 HE1 TYR 71 HE2 TYR 71 -9.147 8.977 -1.014 553 HE2 TYR 71 HE1 TYR 71 -13.188 7.633 -0.455 554 HH TYR 71 HH TYR 71 -10.777 9.084 -2.591 555 H LEU 72 HN LEU 72 -8.346 8.323 4.727 556 HA LEU 72 HA LEU 72 -7.906 6.671 7.174 557 HB2 LEU 72 HB2 LEU 72 -6.116 8.939 6.930 558 HB3 LEU 72 HB1 LEU 72 -5.728 7.231 7.116 559 HG LEU 72 HG LEU 72 -6.458 8.584 4.499 560 HD11 LEU 72 HD11 LEU 72 -4.097 8.242 3.931 561 HD12 LEU 72 HD12 LEU 72 -3.804 7.521 5.513 562 HD13 LEU 72 HD13 LEU 72 -4.231 9.228 5.387 563 HD21 LEU 72 HD21 LEU 72 -6.801 6.489 3.737 564 HD22 LEU 72 HD22 LEU 72 -6.457 5.832 5.336 565 HD23 LEU 72 HD23 LEU 72 -5.148 6.075 4.180 566 H SER 73 HN SER 73 -9.526 9.399 6.007 567 HA SER 73 HA SER 73 -10.031 10.273 8.794 568 HB2 SER 73 HB2 SER 73 -9.048 12.124 6.604 569 HB3 SER 73 HB1 SER 73 -9.699 12.665 8.148 570 HG SER 73 HG SER 73 -7.355 12.444 8.028 571 H GLN 74 HN GLN 74 -12.183 10.605 9.037 572 HA GLN 74 HA GLN 74 -14.126 10.126 7.116 573 HB2 GLN 74 HB2 GLN 74 -14.364 10.623 9.668 574 HB3 GLN 74 HB1 GLN 74 -14.563 12.299 9.154 575 HG2 GLN 74 HG2 GLN 74 -16.768 11.641 9.053 576 HG3 GLN 74 HG1 GLN 74 -16.268 11.158 7.432 577 HE21 GLN 74 HE21 GLN 74 -15.334 8.794 7.352 578 HE22 GLN 74 HE22 GLN 74 -16.143 7.638 8.297 579 H ARG 75 HN ARG 75 -12.075 12.882 7.401 580 HA ARG 75 HA ARG 75 -13.716 14.762 5.943 581 HB2 ARG 75 HB2 ARG 75 -11.771 15.370 7.420 582 HB3 ARG 75 HB1 ARG 75 -10.696 14.705 6.190 583 HG2 ARG 75 HG2 ARG 75 -12.321 16.373 4.710 584 HG3 ARG 75 HG1 ARG 75 -12.142 17.257 6.223 585 HD2 ARG 75 HD2 ARG 75 -9.631 16.791 6.027 586 HD3 ARG 75 HD1 ARG 75 -9.961 16.295 4.368 587 HE ARG 75 HE ARG 75 -10.024 19.040 5.387 588 HH11 ARG 75 HH21 ARG 75 -11.056 16.771 3.006 589 HH12 ARG 75 HH22 ARG 75 -11.350 17.974 1.795 590 HH21 ARG 75 HH11 ARG 75 -10.403 20.625 3.820 591 HH22 ARG 75 HH12 ARG 75 -10.980 20.155 2.255 592 H ASP 76 HN ASP 76 -11.353 12.317 5.024 593 HA ASP 76 HA ASP 76 -11.327 13.187 2.225 594 HB2 ASP 76 HB2 ASP 76 -10.038 10.990 3.808 595 HB3 ASP 76 HB1 ASP 76 -10.151 10.815 2.056 596 H LEU 77 HN LEU 77 -12.795 10.676 4.200 597 HA LEU 77 HA LEU 77 -14.070 9.339 1.972 598 HB2 LEU 77 HB2 LEU 77 -13.690 8.080 4.001 599 HB3 LEU 77 HB1 LEU 77 -14.512 9.299 4.969 600 HG LEU 77 HG LEU 77 -16.150 8.238 2.769 601 HD11 LEU 77 HD11 LEU 77 -15.274 6.441 5.043 602 HD12 LEU 77 HD12 LEU 77 -14.914 6.197 3.334 603 HD13 LEU 77 HD13 LEU 77 -16.576 6.084 3.911 604 HD21 LEU 77 HD21 LEU 77 -16.807 9.722 4.769 605 HD22 LEU 77 HD22 LEU 77 -16.674 8.263 5.748 606 HD23 LEU 77 HD23 LEU 77 -17.850 8.341 4.439 607 H GLN 78 HN GLN 78 -14.834 11.908 4.246 608 HA GLN 78 HA GLN 78 -17.599 12.101 3.423 609 HB2 GLN 78 HB2 GLN 78 -16.933 13.070 5.577 610 HB3 GLN 78 HB1 GLN 78 -15.781 14.131 4.765 611 HG2 GLN 78 HG2 GLN 78 -17.891 15.308 5.351 612 HG3 GLN 78 HG1 GLN 78 -17.612 15.283 3.612 613 HE21 GLN 78 HE21 GLN 78 -18.889 13.664 2.334 614 HE22 GLN 78 HE22 GLN 78 -20.366 13.093 2.946 615 H ALA 79 HN ALA 79 -14.525 13.275 2.393 616 HA ALA 79 HA ALA 79 -15.559 15.209 0.502 617 HB1 ALA 79 HB1 ALA 79 -13.225 15.320 1.341 618 HB2 ALA 79 HB2 ALA 79 -13.265 15.184 -0.415 619 HB3 ALA 79 HB3 ALA 79 -12.884 13.773 0.570 620 H HIS 80 HN HIS 80 -15.194 11.764 0.648 621 HA HIS 80 HA HIS 80 -15.201 11.425 -2.259 622 HB2 HIS 80 HB2 HIS 80 -14.278 9.550 -1.253 623 HB3 HIS 80 HB1 HIS 80 -15.428 9.566 0.075 624 HD1 HIS 80 HD1 HIS 80 -15.238 8.741 -3.620 625 HD2 HIS 80 HD2 HIS 80 -17.711 8.018 -0.344 626 HE1 HIS 80 HE1 HIS 80 -16.957 7.043 -4.382 627 H ILE 81 HN ILE 81 -17.589 11.475 0.314 628 HA ILE 81 HA ILE 81 -19.831 10.590 -1.225 629 HB ILE 81 HB ILE 81 -20.113 12.685 0.910 630 HG12 ILE 81 HG12 ILE 81 -18.489 10.924 1.657 631 HG13 ILE 81 HG11 ILE 81 -19.916 11.078 2.659 632 HG21 ILE 81 HG21 ILE 81 -21.758 10.323 -0.002 633 HG22 ILE 81 HG22 ILE 81 -22.161 12.032 -0.128 634 HG23 ILE 81 HG23 ILE 81 -22.121 11.249 1.451 635 HD11 ILE 81 HD11 ILE 81 -19.256 8.692 2.119 636 HD12 ILE 81 HD12 ILE 81 -19.668 9.028 0.441 637 HD13 ILE 81 HD13 ILE 81 -20.910 9.115 1.687 638 H ASN 82 HN ASN 82 -18.734 13.867 -0.436 639 HA ASN 82 HA ASN 82 -20.742 15.043 -2.172 640 HB2 ASN 82 HB2 ASN 82 -19.293 17.132 -1.867 641 HB3 ASN 82 HB1 ASN 82 -19.999 16.436 -0.409 642 HD21 ASN 82 HD21 ASN 82 -18.394 16.904 1.136 643 HD22 ASN 82 HD22 ASN 82 -16.780 16.401 1.005 644 H HIS 83 HN HIS 83 -17.606 13.688 -2.680 645 HA HIS 83 HA HIS 83 -17.224 15.233 -5.147 646 HB2 HIS 83 HB2 HIS 83 -15.619 13.033 -3.869 647 HB3 HIS 83 HB1 HIS 83 -15.224 13.698 -5.449 648 HD1 HIS 83 HD1 HIS 83 -12.995 14.383 -3.876 649 HD2 HIS 83 HD2 HIS 83 -16.513 16.567 -3.362 650 HE1 HIS 83 HE1 HIS 83 -12.334 16.557 -2.752 651 HE2 HIS 83 HE2 HIS 83 -14.466 17.893 -2.434 652 H ARG 84 HN ARG 84 -18.636 12.123 -4.313 653 HA ARG 84 HA ARG 84 -18.909 11.622 -7.246 654 HB2 ARG 84 HB2 ARG 84 -18.784 9.303 -5.368 655 HB3 ARG 84 HB1 ARG 84 -18.354 9.381 -7.068 656 HG2 ARG 84 HG2 ARG 84 -16.769 10.760 -4.869 657 HG3 ARG 84 HG1 ARG 84 -16.381 9.173 -5.515 658 HD2 ARG 84 HD2 ARG 84 -16.747 10.911 -7.744 659 HD3 ARG 84 HD1 ARG 84 -15.693 11.731 -6.596 660 HE ARG 84 HE ARG 84 -14.618 9.204 -6.704 661 HH11 ARG 84 HH21 ARG 84 -15.598 11.553 -9.030 662 HH12 ARG 84 HH22 ARG 84 -14.417 11.078 -10.204 663 HH21 ARG 84 HH11 ARG 84 -13.070 8.570 -8.224 664 HH22 ARG 84 HH12 ARG 84 -12.985 9.389 -9.748 665 H HIS 85 HN HIS 85 -20.473 11.511 -4.124 666 HA HIS 85 HA HIS 85 -22.910 10.377 -5.393 667 HB2 HIS 85 HB2 HIS 85 -22.476 11.022 -2.471 668 HB3 HIS 85 HB1 HIS 85 -23.725 9.991 -3.170 669 HD1 HIS 85 HD1 HIS 85 -23.190 7.580 -2.884 670 HD2 HIS 85 HD2 HIS 85 -19.735 9.861 -3.367 671 HE1 HIS 85 HE1 HIS 85 -21.244 5.960 -2.793 672 H MET 86 HN MET 86 -21.888 13.076 -3.358 673 HA MET 86 HA MET 86 -22.947 15.144 -2.934 674 HB2 MET 86 HB2 MET 86 -21.932 15.045 -5.413 675 HB3 MET 86 HB1 MET 86 -23.629 15.286 -5.830 676 HG2 MET 86 HG2 MET 86 -23.517 17.160 -3.986 677 HG3 MET 86 HG1 MET 86 -21.783 17.088 -4.295 678 HE1 MET 86 HE1 MET 86 -24.719 18.965 -4.943 679 HE2 MET 86 HE2 MET 86 -25.327 17.552 -5.801 680 HE3 MET 86 HE3 MET 86 -25.032 19.049 -6.682 681 H ARG 87 HN ARG 87 -24.725 12.825 -2.732 682 HA ARG 87 HA ARG 87 -27.264 14.272 -2.907 683 HB2 ARG 87 HB2 ARG 87 -28.376 12.821 -4.408 684 HB3 ARG 87 HB1 ARG 87 -26.816 13.115 -5.177 685 HG2 ARG 87 HG2 ARG 87 -26.085 10.991 -3.779 686 HG3 ARG 87 HG1 ARG 87 -27.815 10.646 -3.805 687 HD2 ARG 87 HD2 ARG 87 -26.046 11.118 -6.223 688 HD3 ARG 87 HD1 ARG 87 -26.743 9.576 -5.724 689 HE ARG 87 HE ARG 87 -28.163 11.747 -7.083 690 HH11 ARG 87 HH21 ARG 87 -28.315 8.950 -5.074 691 HH12 ARG 87 HH22 ARG 87 -29.957 8.582 -5.484 692 HH21 ARG 87 HH11 ARG 87 -30.306 11.283 -7.629 693 HH22 ARG 87 HH12 ARG 87 -31.085 9.902 -6.931 694 H ALA 88 HN ALA 88 -25.346 12.706 -1.028 695 HA ALA 88 HA ALA 88 -26.469 10.351 -0.057 696 HB1 ALA 88 HB1 ALA 88 -25.311 10.744 1.932 697 HB2 ALA 88 HB2 ALA 88 -25.645 12.476 1.901 698 HB3 ALA 88 HB3 ALA 88 -24.442 11.789 0.810 699 H GLY 89 HN GLY 89 -28.252 9.832 1.216 700 HA2 GLY 89 HA2 GLY 89 -30.377 11.859 1.341 701 HA3 GLY 89 HA1 GLY 89 -30.544 10.155 1.767 Start of MODEL 12 1 H1 VAL 1 HT1 VAL 1 -16.169 -6.241 2.744 2 H2 VAL 1 HT2 VAL 1 -14.799 -5.352 2.279 3 H3 VAL 1 HT3 VAL 1 -16.290 -4.567 2.500 4 HA VAL 1 HA VAL 1 -14.553 -4.360 4.345 5 HB VAL 1 HB VAL 1 -16.516 -4.879 6.055 6 HG11 VAL 1 HG11 VAL 1 -15.916 -2.627 5.550 7 HG12 VAL 1 HG12 VAL 1 -17.640 -2.741 5.200 8 HG13 VAL 1 HG13 VAL 1 -16.470 -2.777 3.882 9 HG21 VAL 1 HG21 VAL 1 -18.633 -5.211 5.109 10 HG22 VAL 1 HG22 VAL 1 -17.618 -6.234 4.094 11 HG23 VAL 1 HG23 VAL 1 -18.120 -4.644 3.520 12 H HIS 2 HN HIS 2 -13.207 -5.547 5.556 13 HA HIS 2 HA HIS 2 -12.213 -7.338 6.674 14 HB2 HIS 2 HB2 HIS 2 -14.381 -7.380 7.913 15 HB3 HIS 2 HB1 HIS 2 -14.997 -8.528 6.730 16 HD1 HIS 2 HD1 HIS 2 -12.582 -8.233 9.580 17 HD2 HIS 2 HD2 HIS 2 -13.871 -11.135 6.877 18 HE1 HIS 2 HE1 HIS 2 -11.693 -10.450 10.430 19 HE2 HIS 2 HE2 HIS 2 -12.473 -12.224 8.792 20 H PHE 3 HN PHE 3 -14.689 -8.660 4.496 21 HA PHE 3 HA PHE 3 -13.023 -10.903 3.712 22 HB2 PHE 3 HB2 PHE 3 -15.258 -10.040 1.952 23 HB3 PHE 3 HB1 PHE 3 -14.867 -11.647 2.566 24 HD1 PHE 3 HD1 PHE 3 -15.225 -12.072 5.097 25 HD2 PHE 3 HD2 PHE 3 -16.957 -8.768 2.967 26 HE1 PHE 3 HE1 PHE 3 -16.917 -11.802 6.890 27 HE2 PHE 3 HE2 PHE 3 -18.648 -8.497 4.761 28 HZ PHE 3 HZ PHE 3 -18.628 -10.015 6.722 29 H CYS 4 HN CYS 4 -11.213 -10.542 2.495 30 HA CYS 4 HA CYS 4 -10.558 -8.257 1.047 31 HB2 CYS 4 HB2 CYS 4 -9.168 -10.398 1.516 32 HB3 CYS 4 HB1 CYS 4 -9.829 -10.972 -0.014 33 H ASP 5 HN ASP 5 -10.846 -7.571 -1.097 34 HA ASP 5 HA ASP 5 -13.315 -8.474 -2.354 35 HB2 ASP 5 HB2 ASP 5 -12.959 -6.160 -2.576 36 HB3 ASP 5 HB1 ASP 5 -11.254 -6.369 -2.979 37 H LYS 6 HN LYS 6 -9.903 -9.135 -2.735 38 HA LYS 6 HA LYS 6 -10.414 -10.464 -5.340 39 HB2 LYS 6 HB2 LYS 6 -8.235 -8.979 -4.330 40 HB3 LYS 6 HB1 LYS 6 -7.681 -10.650 -4.425 41 HG2 LYS 6 HG2 LYS 6 -9.057 -9.204 -6.712 42 HG3 LYS 6 HG1 LYS 6 -7.310 -9.322 -6.536 43 HD2 LYS 6 HD2 LYS 6 -8.807 -11.882 -6.336 44 HD3 LYS 6 HD1 LYS 6 -8.758 -11.128 -7.930 45 HE2 LYS 6 HE2 LYS 6 -6.311 -11.011 -7.826 46 HE3 LYS 6 HE1 LYS 6 -6.332 -11.706 -6.206 47 HZ1 LYS 6 HZ1 LYS 6 -6.006 -13.570 -7.445 48 HZ2 LYS 6 HZ2 LYS 6 -6.866 -12.982 -8.787 49 HZ3 LYS 6 HZ3 LYS 6 -7.702 -13.556 -7.424 50 H CYS 7 HN CYS 7 -8.465 -11.218 -2.447 51 HA CYS 7 HA CYS 7 -8.470 -14.017 -2.906 52 HB2 CYS 7 HB2 CYS 7 -8.307 -12.737 -0.174 53 HB3 CYS 7 HB1 CYS 7 -7.558 -14.239 -0.714 54 H GLY 8 HN GLY 8 -10.911 -11.935 -1.583 55 HA2 GLY 8 HA2 GLY 8 -13.089 -12.415 -0.863 56 HA3 GLY 8 HA1 GLY 8 -12.897 -13.991 -1.631 57 H LEU 9 HN LEU 9 -10.426 -13.429 0.601 58 HA LEU 9 HA LEU 9 -11.770 -15.224 2.566 59 HB2 LEU 9 HB2 LEU 9 -8.978 -14.782 1.671 60 HB3 LEU 9 HB1 LEU 9 -9.171 -15.042 3.402 61 HG LEU 9 HG LEU 9 -10.481 -17.116 2.902 62 HD11 LEU 9 HD11 LEU 9 -9.594 -16.544 0.056 63 HD12 LEU 9 HD12 LEU 9 -11.253 -16.451 0.645 64 HD13 LEU 9 HD13 LEU 9 -10.419 -18.004 0.603 65 HD21 LEU 9 HD21 LEU 9 -8.524 -18.443 2.124 66 HD22 LEU 9 HD22 LEU 9 -8.081 -17.275 3.370 67 HD23 LEU 9 HD23 LEU 9 -7.710 -16.944 1.677 68 HA PRO 10 HA PRO 10 -12.153 -12.003 5.540 69 HB2 PRO 10 HB2 PRO 10 -11.289 -13.226 7.857 70 HB3 PRO 10 HB1 PRO 10 -12.909 -13.394 7.159 71 HG2 PRO 10 HG2 PRO 10 -10.597 -15.250 7.035 72 HG3 PRO 10 HG1 PRO 10 -12.330 -15.604 7.113 73 HD2 PRO 10 HD2 PRO 10 -10.879 -15.802 4.802 74 HD3 PRO 10 HD1 PRO 10 -12.611 -15.408 4.824 75 H ILE 11 HN ILE 11 -10.713 -10.421 5.157 76 HA ILE 11 HA ILE 11 -7.908 -10.519 5.159 77 HB ILE 11 HB ILE 11 -9.734 -8.225 5.918 78 HG12 ILE 11 HG12 ILE 11 -8.340 -8.644 3.275 79 HG13 ILE 11 HG11 ILE 11 -9.894 -9.409 3.590 80 HG21 ILE 11 HG21 ILE 11 -6.828 -8.514 5.743 81 HG22 ILE 11 HG22 ILE 11 -7.781 -7.235 6.489 82 HG23 ILE 11 HG23 ILE 11 -7.451 -7.191 4.757 83 HD11 ILE 11 HD11 ILE 11 -9.798 -6.558 4.336 84 HD12 ILE 11 HD12 ILE 11 -11.026 -7.443 3.431 85 HD13 ILE 11 HD13 ILE 11 -9.578 -6.855 2.615 86 H LYS 12 HN LYS 12 -6.491 -10.915 6.759 87 HA LYS 12 HA LYS 12 -7.360 -10.757 9.573 88 HB2 LYS 12 HB2 LYS 12 -4.859 -11.485 9.884 89 HB3 LYS 12 HB1 LYS 12 -6.009 -12.651 9.231 90 HG2 LYS 12 HG2 LYS 12 -4.684 -10.890 7.242 91 HG3 LYS 12 HG1 LYS 12 -3.648 -12.077 8.033 92 HD2 LYS 12 HD2 LYS 12 -5.184 -13.880 7.398 93 HD3 LYS 12 HD1 LYS 12 -6.273 -12.709 6.652 94 HE2 LYS 12 HE2 LYS 12 -4.901 -13.722 4.914 95 HE3 LYS 12 HE1 LYS 12 -4.420 -12.038 5.111 96 HZ1 LYS 12 HZ1 LYS 12 -2.743 -14.150 5.182 97 HZ2 LYS 12 HZ2 LYS 12 -3.011 -13.863 6.835 98 HZ3 LYS 12 HZ3 LYS 12 -2.409 -12.623 5.842 99 H VAL 13 HN VAL 13 -5.352 -9.063 7.260 100 HA VAL 13 HA VAL 13 -5.045 -6.841 9.207 101 HB VAL 13 HB VAL 13 -2.804 -7.432 7.346 102 HG11 VAL 13 HG11 VAL 13 -1.500 -6.422 9.180 103 HG12 VAL 13 HG12 VAL 13 -2.954 -6.357 10.175 104 HG13 VAL 13 HG13 VAL 13 -2.841 -5.376 8.713 105 HG21 VAL 13 HG21 VAL 13 -3.405 -8.935 9.899 106 HG22 VAL 13 HG22 VAL 13 -1.771 -8.812 9.245 107 HG23 VAL 13 HG23 VAL 13 -3.037 -9.606 8.309 108 H TYR 14 HN TYR 14 -5.129 -4.795 8.177 109 HA TYR 14 HA TYR 14 -6.414 -4.816 5.577 110 HB2 TYR 14 HB2 TYR 14 -5.685 -2.736 7.578 111 HB3 TYR 14 HB1 TYR 14 -6.033 -2.231 5.928 112 HD1 TYR 14 HD2 TYR 14 -7.606 -5.189 7.554 113 HD2 TYR 14 HD1 TYR 14 -8.097 -1.085 6.393 114 HE1 TYR 14 HE2 TYR 14 -10.034 -5.361 7.974 115 HE2 TYR 14 HE1 TYR 14 -10.530 -1.256 6.822 116 HH TYR 14 HH TYR 14 -12.246 -3.390 6.813 117 H GLY 15 HN GLY 15 -5.031 -5.444 3.997 118 HA2 GLY 15 HA2 GLY 15 -2.334 -4.392 3.742 119 HA3 GLY 15 HA1 GLY 15 -3.178 -5.374 2.539 120 H ARG 16 HN ARG 16 -2.702 -2.140 3.749 121 HA ARG 16 HA ARG 16 -4.530 -0.893 1.851 122 HB2 ARG 16 HB2 ARG 16 -4.121 0.301 3.879 123 HB3 ARG 16 HB1 ARG 16 -2.373 0.201 3.665 124 HG2 ARG 16 HG2 ARG 16 -2.324 1.863 2.072 125 HG3 ARG 16 HG1 ARG 16 -3.937 1.481 1.473 126 HD2 ARG 16 HD2 ARG 16 -4.900 2.450 3.563 127 HD3 ARG 16 HD1 ARG 16 -3.275 2.926 4.054 128 HE ARG 16 HE ARG 16 -4.879 4.162 1.924 129 HH11 ARG 16 HH21 ARG 16 -1.795 3.669 3.396 130 HH12 ARG 16 HH22 ARG 16 -1.108 5.121 2.750 131 HH21 ARG 16 HH11 ARG 16 -3.991 6.059 1.072 132 HH22 ARG 16 HH12 ARG 16 -2.349 6.471 1.435 133 H MET 17 HN MET 17 -4.052 0.064 -0.100 134 HA MET 17 HA MET 17 -1.236 -0.142 -1.067 135 HB2 MET 17 HB2 MET 17 -3.561 -0.500 -2.925 136 HB3 MET 17 HB1 MET 17 -1.903 -1.071 -3.098 137 HG2 MET 17 HG2 MET 17 -2.325 -2.603 -1.135 138 HG3 MET 17 HG1 MET 17 -4.014 -2.123 -1.209 139 HE1 MET 17 HE1 MET 17 -1.467 -4.872 -3.201 140 HE2 MET 17 HE2 MET 17 -1.022 -3.187 -2.961 141 HE3 MET 17 HE3 MET 17 -1.521 -3.738 -4.554 142 H ILE 18 HN ILE 18 -0.478 1.674 -2.000 143 HA ILE 18 HA ILE 18 -2.410 3.850 -2.641 144 HB ILE 18 HB ILE 18 -0.054 5.162 -2.373 145 HG12 ILE 18 HG12 ILE 18 0.067 2.911 -0.359 146 HG13 ILE 18 HG11 ILE 18 1.100 3.057 -1.784 147 HG21 ILE 18 HG21 ILE 18 -0.815 5.750 -0.095 148 HG22 ILE 18 HG22 ILE 18 -1.873 4.339 -0.083 149 HG23 ILE 18 HG23 ILE 18 -2.188 5.668 -1.198 150 HD11 ILE 18 HD11 ILE 18 2.479 4.423 -0.655 151 HD12 ILE 18 HD12 ILE 18 1.452 4.278 0.772 152 HD13 ILE 18 HD13 ILE 18 1.150 5.555 -0.406 153 HA PRO 19 HA PRO 19 -1.921 5.945 -3.513 154 HB2 PRO 19 HB2 PRO 19 -2.713 7.242 -5.748 155 HB3 PRO 19 HB1 PRO 19 -1.039 7.322 -5.161 156 HG2 PRO 19 HG2 PRO 19 -2.186 5.754 -7.403 157 HG3 PRO 19 HG1 PRO 19 -0.602 6.531 -7.259 158 HD2 PRO 19 HD2 PRO 19 -1.095 3.805 -6.875 159 HD3 PRO 19 HD1 PRO 19 0.342 4.677 -6.307 160 H CYS 20 HN CYS 20 -3.028 3.299 -5.130 161 HA CYS 20 HA CYS 20 -5.661 3.849 -5.942 162 HB2 CYS 20 HB2 CYS 20 -4.151 1.589 -5.720 163 HB3 CYS 20 HB1 CYS 20 -5.286 1.353 -4.391 164 H LYS 21 HN LYS 21 -4.370 3.219 -2.712 165 HA LYS 21 HA LYS 21 -5.245 3.789 -0.616 166 HB2 LYS 21 HB2 LYS 21 -6.299 5.722 -2.268 167 HB3 LYS 21 HB1 LYS 21 -7.757 4.957 -1.633 168 HG2 LYS 21 HG2 LYS 21 -6.893 5.246 0.669 169 HG3 LYS 21 HG1 LYS 21 -5.462 6.048 0.020 170 HD2 LYS 21 HD2 LYS 21 -7.522 7.424 -1.198 171 HD3 LYS 21 HD1 LYS 21 -8.172 7.097 0.408 172 HE2 LYS 21 HE2 LYS 21 -6.927 9.227 0.385 173 HE3 LYS 21 HE1 LYS 21 -6.136 8.047 1.429 174 HZ1 LYS 21 HZ1 LYS 21 -4.984 9.410 -0.643 175 HZ2 LYS 21 HZ2 LYS 21 -5.239 7.851 -1.269 176 HZ3 LYS 21 HZ3 LYS 21 -4.336 8.060 0.154 177 H HIS 22 HN HIS 22 -5.819 1.369 -2.147 178 HA HIS 22 HA HIS 22 -8.562 0.687 -1.186 179 HB2 HIS 22 HB2 HIS 22 -6.762 -0.437 -3.310 180 HB3 HIS 22 HB1 HIS 22 -8.009 -1.458 -2.597 181 HD2 HIS 22 HD2 HIS 22 -10.521 0.609 -2.461 182 HE1 HIS 22 HE1 HIS 22 -9.750 1.349 -6.547 183 HE2 HIS 22 HE2 HIS 22 -11.470 1.566 -4.694 184 H VAL 23 HN VAL 23 -8.664 -1.756 -0.449 185 HA VAL 23 HA VAL 23 -6.255 -2.358 1.210 186 HB VAL 23 HB VAL 23 -8.776 -3.280 2.346 187 HG11 VAL 23 HG11 VAL 23 -6.418 -3.249 3.350 188 HG12 VAL 23 HG12 VAL 23 -7.726 -2.670 4.374 189 HG13 VAL 23 HG13 VAL 23 -6.661 -1.515 3.577 190 HG21 VAL 23 HG21 VAL 23 -9.622 -1.165 1.477 191 HG22 VAL 23 HG22 VAL 23 -8.212 -0.310 2.101 192 HG23 VAL 23 HG23 VAL 23 -9.385 -1.007 3.218 193 H PHE 24 HN PHE 24 -6.077 -4.597 1.835 194 HA PHE 24 HA PHE 24 -7.737 -6.669 0.636 195 HB2 PHE 24 HB2 PHE 24 -4.913 -6.363 -0.443 196 HB3 PHE 24 HB1 PHE 24 -6.050 -7.643 -0.846 197 HD1 PHE 24 HD2 PHE 24 -5.233 -4.088 -1.257 198 HD2 PHE 24 HD1 PHE 24 -7.892 -7.255 -2.381 199 HE1 PHE 24 HE2 PHE 24 -6.092 -2.692 -3.112 200 HE2 PHE 24 HE1 PHE 24 -8.760 -5.866 -4.242 201 HZ PHE 24 HZ PHE 24 -7.857 -3.588 -4.618 202 H CYS 25 HN CYS 25 -6.490 -8.892 1.019 203 HA CYS 25 HA CYS 25 -5.658 -8.918 3.774 204 HB2 CYS 25 HB2 CYS 25 -4.531 -11.171 2.396 205 HB3 CYS 25 HB1 CYS 25 -5.913 -11.143 3.489 206 H TYR 26 HN TYR 26 -3.772 -8.011 4.488 207 HA TYR 26 HA TYR 26 -1.696 -7.078 2.869 208 HB2 TYR 26 HB2 TYR 26 -1.952 -6.542 5.287 209 HB3 TYR 26 HB1 TYR 26 -1.380 -8.163 5.673 210 HD1 TYR 26 HD2 TYR 26 -0.289 -5.350 3.379 211 HD2 TYR 26 HD1 TYR 26 0.836 -8.278 6.322 212 HE1 TYR 26 HE2 TYR 26 2.060 -4.593 3.240 213 HE2 TYR 26 HE1 TYR 26 3.186 -7.512 6.179 214 HH TYR 26 HH TYR 26 4.400 -5.425 5.515 215 H ASP 27 HN ASP 27 -2.372 -10.360 3.731 216 HA ASP 27 HA ASP 27 0.312 -11.340 3.182 217 HB2 ASP 27 HB2 ASP 27 -1.109 -12.718 4.567 218 HB3 ASP 27 HB1 ASP 27 -2.378 -12.727 3.342 219 H CYS 28 HN CYS 28 -2.704 -11.043 1.362 220 HA CYS 28 HA CYS 28 -1.432 -12.118 -1.049 221 HB2 CYS 28 HB2 CYS 28 -3.560 -12.393 -1.768 222 HB3 CYS 28 HB1 CYS 28 -4.088 -11.825 -0.183 223 H ALA 29 HN ALA 29 -1.895 -9.072 0.504 224 HA ALA 29 HA ALA 29 -1.596 -7.424 -1.843 225 HB1 ALA 29 HB1 ALA 29 -0.684 -6.475 0.848 226 HB2 ALA 29 HB2 ALA 29 -2.396 -6.853 0.645 227 HB3 ALA 29 HB3 ALA 29 -1.636 -5.627 -0.370 228 H ILE 30 HN ILE 30 0.616 -8.988 0.438 229 HA ILE 30 HA ILE 30 2.921 -7.628 -0.724 230 HB ILE 30 HB ILE 30 4.251 -9.062 0.736 231 HG12 ILE 30 HG12 ILE 30 1.648 -10.335 1.579 232 HG13 ILE 30 HG11 ILE 30 2.795 -11.125 0.503 233 HG21 ILE 30 HG21 ILE 30 3.711 -7.492 2.232 234 HG22 ILE 30 HG22 ILE 30 2.406 -8.540 2.784 235 HG23 ILE 30 HG23 ILE 30 2.100 -7.330 1.540 236 HD11 ILE 30 HD11 ILE 30 4.547 -10.847 2.276 237 HD12 ILE 30 HD12 ILE 30 3.218 -11.901 2.756 238 HD13 ILE 30 HD13 ILE 30 3.290 -10.245 3.356 239 H LEU 31 HN LEU 31 1.292 -10.766 -1.027 240 HA LEU 31 HA LEU 31 3.287 -11.974 -2.699 241 HB2 LEU 31 HB2 LEU 31 0.286 -12.358 -2.570 242 HB3 LEU 31 HB1 LEU 31 1.319 -13.319 -3.620 243 HG LEU 31 HG LEU 31 1.972 -13.080 -0.692 244 HD11 LEU 31 HD11 LEU 31 -0.130 -13.925 -0.308 245 HD12 LEU 31 HD12 LEU 31 0.658 -15.435 -0.761 246 HD13 LEU 31 HD13 LEU 31 -0.292 -14.546 -1.950 247 HD21 LEU 31 HD21 LEU 31 3.258 -14.289 -2.785 248 HD22 LEU 31 HD22 LEU 31 2.258 -15.615 -2.199 249 HD23 LEU 31 HD23 LEU 31 3.395 -14.821 -1.110 250 H HIS 32 HN HIS 32 0.627 -9.745 -3.358 251 HA HIS 32 HA HIS 32 0.890 -9.850 -6.232 252 HB2 HIS 32 HB2 HIS 32 -0.536 -8.157 -4.247 253 HB3 HIS 32 HB1 HIS 32 -0.193 -7.409 -5.808 254 HD1 HIS 32 HD1 HIS 32 -1.264 -8.508 -7.931 255 HD2 HIS 32 HD2 HIS 32 -2.442 -10.257 -4.331 256 HE1 HIS 32 HE1 HIS 32 -3.253 -9.984 -8.467 257 HE2 HIS 32 HE2 HIS 32 -3.979 -11.051 -6.283 258 H GLU 33 HN GLU 33 2.239 -7.808 -3.671 259 HA GLU 33 HA GLU 33 3.580 -5.978 -5.415 260 HB2 GLU 33 HB2 GLU 33 4.049 -4.999 -3.441 261 HB3 GLU 33 HB1 GLU 33 3.338 -6.380 -2.623 262 HG2 GLU 33 HG2 GLU 33 5.531 -7.530 -2.648 263 HG3 GLU 33 HG1 GLU 33 6.248 -6.127 -3.453 264 H LYS 34 HN LYS 34 4.505 -9.105 -4.031 265 HA LYS 34 HA LYS 34 7.208 -8.998 -5.093 266 HB2 LYS 34 HB2 LYS 34 5.488 -11.064 -3.774 267 HB3 LYS 34 HB1 LYS 34 6.899 -11.610 -4.682 268 HG2 LYS 34 HG2 LYS 34 8.398 -10.552 -3.259 269 HG3 LYS 34 HG1 LYS 34 7.220 -9.339 -2.753 270 HD2 LYS 34 HD2 LYS 34 6.120 -10.843 -1.299 271 HD3 LYS 34 HD1 LYS 34 6.857 -12.253 -2.061 272 HE2 LYS 34 HE2 LYS 34 8.937 -11.878 -1.047 273 HE3 LYS 34 HE1 LYS 34 8.587 -10.176 -0.740 274 HZ1 LYS 34 HZ1 LYS 34 7.346 -10.659 1.086 275 HZ2 LYS 34 HZ2 LYS 34 8.430 -11.966 1.152 276 HZ3 LYS 34 HZ3 LYS 34 6.870 -12.184 0.517 277 H LYS 35 HN LYS 35 4.090 -9.768 -6.355 278 HA LYS 35 HA LYS 35 5.114 -11.423 -8.525 279 HB2 LYS 35 HB2 LYS 35 2.585 -10.946 -7.391 280 HB3 LYS 35 HB1 LYS 35 2.486 -10.352 -9.047 281 HG2 LYS 35 HG2 LYS 35 1.894 -12.704 -9.049 282 HG3 LYS 35 HG1 LYS 35 3.470 -12.529 -9.820 283 HD2 LYS 35 HD2 LYS 35 4.352 -13.948 -8.317 284 HD3 LYS 35 HD1 LYS 35 3.920 -12.831 -7.022 285 HE2 LYS 35 HE2 LYS 35 2.878 -14.986 -6.578 286 HE3 LYS 35 HE1 LYS 35 1.622 -13.823 -7.000 287 HZ1 LYS 35 HZ1 LYS 35 2.753 -15.995 -8.649 288 HZ2 LYS 35 HZ2 LYS 35 1.953 -14.677 -9.364 289 HZ3 LYS 35 HZ3 LYS 35 1.128 -15.685 -8.273 290 H GLY 36 HN GLY 36 3.173 -8.443 -8.761 291 HA2 GLY 36 HA2 GLY 36 4.706 -7.740 -11.207 292 HA3 GLY 36 HA1 GLY 36 3.166 -7.031 -10.723 293 H ASP 37 HN ASP 37 4.000 -6.534 -7.966 294 HA ASP 37 HA ASP 37 5.212 -4.958 -6.693 295 HB2 ASP 37 HB2 ASP 37 7.105 -5.832 -8.408 296 HB3 ASP 37 HB1 ASP 37 6.967 -4.159 -8.949 297 H LYS 38 HN LYS 38 3.123 -4.402 -9.018 298 HA LYS 38 HA LYS 38 2.858 -1.598 -8.423 299 HB2 LYS 38 HB2 LYS 38 3.210 -0.890 -10.822 300 HB3 LYS 38 HB1 LYS 38 4.654 -1.258 -9.881 301 HG2 LYS 38 HG2 LYS 38 5.179 -3.061 -11.157 302 HG3 LYS 38 HG1 LYS 38 3.502 -3.604 -11.222 303 HD2 LYS 38 HD2 LYS 38 3.021 -1.867 -12.931 304 HD3 LYS 38 HD1 LYS 38 4.719 -1.386 -12.896 305 HE2 LYS 38 HE2 LYS 38 4.851 -4.133 -13.242 306 HE3 LYS 38 HE1 LYS 38 3.459 -3.672 -14.222 307 HZ1 LYS 38 HZ1 LYS 38 4.776 -2.722 -15.713 308 HZ2 LYS 38 HZ2 LYS 38 6.102 -3.418 -14.910 309 HZ3 LYS 38 HZ3 LYS 38 5.612 -1.835 -14.532 310 H MET 39 HN MET 39 1.131 -4.003 -8.523 311 HA MET 39 HA MET 39 -0.968 -2.832 -10.244 312 HB2 MET 39 HB2 MET 39 -1.490 -4.904 -11.347 313 HB3 MET 39 HB1 MET 39 0.239 -4.627 -11.553 314 HG2 MET 39 HG2 MET 39 0.420 -6.020 -9.317 315 HG3 MET 39 HG1 MET 39 -1.163 -6.624 -9.809 316 HE1 MET 39 HE1 MET 39 -1.544 -6.970 -12.457 317 HE2 MET 39 HE2 MET 39 -1.536 -8.461 -11.519 318 HE3 MET 39 HE3 MET 39 -0.696 -8.397 -13.066 319 H CYS 40 HN CYS 40 -2.681 -2.553 -8.968 320 HA CYS 40 HA CYS 40 -2.995 -3.725 -6.402 321 HB2 CYS 40 HB2 CYS 40 -4.184 -1.667 -7.693 322 HB3 CYS 40 HB1 CYS 40 -5.454 -2.880 -7.834 323 HA PRO 41 HA PRO 41 -4.478 -7.839 -7.418 324 HB2 PRO 41 HB2 PRO 41 -6.522 -7.505 -5.291 325 HB3 PRO 41 HB1 PRO 41 -5.291 -8.766 -5.484 326 HG2 PRO 41 HG2 PRO 41 -5.115 -6.807 -3.650 327 HG3 PRO 41 HG1 PRO 41 -3.703 -7.566 -4.399 328 HD2 PRO 41 HD2 PRO 41 -4.829 -4.859 -4.840 329 HD3 PRO 41 HD1 PRO 41 -3.170 -5.458 -5.067 330 H GLY 42 HN GLY 42 -6.876 -5.294 -6.824 331 HA2 GLY 42 HA2 GLY 42 -8.693 -6.613 -8.815 332 HA3 GLY 42 HA1 GLY 42 -9.244 -5.552 -7.525 333 H CYS 43 HN CYS 43 -7.478 -3.406 -7.787 334 HA CYS 43 HA CYS 43 -8.585 -2.146 -10.180 335 HB2 CYS 43 HB2 CYS 43 -6.519 -0.867 -8.414 336 HB3 CYS 43 HB1 CYS 43 -7.874 -0.119 -9.258 337 H SER 44 HN SER 44 -5.673 -3.806 -9.423 338 HA SER 44 HA SER 44 -3.639 -4.001 -10.597 339 HB2 SER 44 HB2 SER 44 -5.398 -4.829 -12.258 340 HB3 SER 44 HB1 SER 44 -5.317 -3.233 -12.998 341 HG SER 44 HG SER 44 -3.819 -4.401 -14.064 342 H ASP 45 HN ASP 45 -4.195 -1.412 -9.454 343 HA ASP 45 HA ASP 45 -3.314 0.549 -11.472 344 HB2 ASP 45 HB2 ASP 45 -4.630 0.626 -8.866 345 HB3 ASP 45 HB1 ASP 45 -3.310 1.791 -8.971 346 HA PRO 46 HA PRO 46 0.984 0.472 -10.569 347 HB2 PRO 46 HB2 PRO 46 1.509 3.163 -9.974 348 HB3 PRO 46 HB1 PRO 46 1.463 2.451 -11.593 349 HG2 PRO 46 HG2 PRO 46 -0.616 4.002 -10.153 350 HG3 PRO 46 HG1 PRO 46 -0.207 3.979 -11.876 351 HD2 PRO 46 HD2 PRO 46 -2.392 2.703 -10.920 352 HD3 PRO 46 HD1 PRO 46 -1.460 2.059 -12.289 353 H VAL 47 HN VAL 47 0.319 -0.732 -8.509 354 HA VAL 47 HA VAL 47 -0.059 0.403 -5.985 355 HB VAL 47 HB VAL 47 1.773 -1.944 -6.524 356 HG11 VAL 47 HG11 VAL 47 1.938 -1.267 -4.252 357 HG12 VAL 47 HG12 VAL 47 0.837 -2.644 -4.287 358 HG13 VAL 47 HG13 VAL 47 0.198 -1.008 -4.137 359 HG21 VAL 47 HG21 VAL 47 -1.207 -1.958 -6.042 360 HG22 VAL 47 HG22 VAL 47 -0.186 -3.330 -6.476 361 HG23 VAL 47 HG23 VAL 47 -0.487 -2.048 -7.643 362 H GLN 48 HN GLN 48 1.086 2.291 -5.518 363 HA GLN 48 HA GLN 48 3.890 2.626 -6.051 364 HB2 GLN 48 HB2 GLN 48 2.607 4.622 -5.774 365 HB3 GLN 48 HB1 GLN 48 1.961 4.074 -4.226 366 HG2 GLN 48 HG2 GLN 48 3.868 4.636 -3.082 367 HG3 GLN 48 HG1 GLN 48 4.924 4.248 -4.440 368 HE21 GLN 48 HE21 GLN 48 4.896 5.870 -6.299 369 HE22 GLN 48 HE22 GLN 48 4.612 7.503 -5.934 370 H ARG 49 HN ARG 49 2.191 2.231 -2.919 371 HA ARG 49 HA ARG 49 4.321 0.379 -2.093 372 HB2 ARG 49 HB2 ARG 49 5.511 1.904 -0.955 373 HB3 ARG 49 HB1 ARG 49 4.335 3.156 -1.332 374 HG2 ARG 49 HG2 ARG 49 2.981 2.513 0.610 375 HG3 ARG 49 HG1 ARG 49 4.093 1.184 0.965 376 HD2 ARG 49 HD2 ARG 49 5.014 4.055 0.802 377 HD3 ARG 49 HD1 ARG 49 4.437 3.335 2.305 378 HE ARG 49 HE ARG 49 6.377 1.567 1.316 379 HH11 ARG 49 HH21 ARG 49 6.117 4.873 2.258 380 HH12 ARG 49 HH22 ARG 49 7.759 4.988 2.794 381 HH21 ARG 49 HH11 ARG 49 8.524 1.698 2.011 382 HH22 ARG 49 HH12 ARG 49 9.122 3.191 2.654 383 H ILE 50 HN ILE 50 3.549 -1.149 -0.702 384 HA ILE 50 HA ILE 50 0.707 -0.928 0.060 385 HB ILE 50 HB ILE 50 2.489 -3.301 0.536 386 HG12 ILE 50 HG12 ILE 50 1.170 -2.353 -2.001 387 HG13 ILE 50 HG11 ILE 50 2.844 -2.831 -1.759 388 HG21 ILE 50 HG21 ILE 50 -0.357 -3.473 -0.306 389 HG22 ILE 50 HG22 ILE 50 -0.038 -2.884 1.323 390 HG23 ILE 50 HG23 ILE 50 0.539 -4.474 0.832 391 HD11 ILE 50 HD11 ILE 50 1.802 -4.665 -2.877 392 HD12 ILE 50 HD12 ILE 50 0.407 -4.619 -1.803 393 HD13 ILE 50 HD13 ILE 50 1.970 -5.155 -1.191 394 H GLU 51 HN GLU 51 0.025 -1.114 2.150 395 HA GLU 51 HA GLU 51 2.056 -1.185 4.310 396 HB2 GLU 51 HB2 GLU 51 -0.064 0.965 4.078 397 HB3 GLU 51 HB1 GLU 51 1.111 0.795 5.387 398 HG2 GLU 51 HG2 GLU 51 2.936 0.958 3.665 399 HG3 GLU 51 HG1 GLU 51 1.697 1.354 2.473 400 H GLN 52 HN GLN 52 1.329 -2.125 6.175 401 HA GLN 52 HA GLN 52 -1.341 -3.400 6.021 402 HB2 GLN 52 HB2 GLN 52 -0.541 -4.998 7.552 403 HB3 GLN 52 HB1 GLN 52 0.879 -4.635 6.570 404 HG2 GLN 52 HG2 GLN 52 1.363 -2.805 8.361 405 HG3 GLN 52 HG1 GLN 52 0.245 -3.725 9.369 406 HE21 GLN 52 HE21 GLN 52 0.933 -5.810 10.145 407 HE22 GLN 52 HE22 GLN 52 2.515 -6.387 9.927 408 H CYS 53 HN CYS 53 -2.940 -3.047 7.582 409 HA CYS 53 HA CYS 53 -2.324 -1.253 9.850 410 HB2 CYS 53 HB2 CYS 53 -3.632 -0.384 7.448 411 HB3 CYS 53 HB1 CYS 53 -4.794 -0.351 8.774 412 H THR 54 HN THR 54 -4.329 -1.071 11.300 413 HA THR 54 HA THR 54 -5.461 -3.767 11.606 414 HB THR 54 HB THR 54 -6.576 -2.042 13.535 415 HG1 THR 54 HG1 THR 54 -4.964 -0.756 14.145 416 HG21 THR 54 HG21 THR 54 -5.845 -4.325 13.953 417 HG22 THR 54 HG22 THR 54 -4.985 -3.237 15.044 418 HG23 THR 54 HG23 THR 54 -4.171 -3.882 13.617 419 H ARG 55 HN ARG 55 -7.832 -4.016 11.986 420 HA ARG 55 HA ARG 55 -9.342 -2.759 9.871 421 HB2 ARG 55 HB2 ARG 55 -9.743 -5.084 10.818 422 HB3 ARG 55 HB1 ARG 55 -10.458 -4.304 12.229 423 HG2 ARG 55 HG2 ARG 55 -11.698 -3.051 10.064 424 HG3 ARG 55 HG1 ARG 55 -11.605 -4.745 9.587 425 HD2 ARG 55 HD2 ARG 55 -13.686 -4.278 10.842 426 HD3 ARG 55 HD1 ARG 55 -12.656 -5.423 11.700 427 HE ARG 55 HE ARG 55 -11.884 -3.031 12.787 428 HH11 ARG 55 HH21 ARG 55 -14.927 -4.518 12.139 429 HH12 ARG 55 HH22 ARG 55 -15.733 -3.755 13.469 430 HH21 ARG 55 HH11 ARG 55 -12.919 -2.027 14.526 431 HH22 ARG 55 HH12 ARG 55 -14.596 -2.345 14.821 432 H GLY 56 HN GLY 56 -8.272 -0.812 11.641 433 HA2 GLY 56 HA2 GLY 56 -10.756 0.629 12.261 434 HA3 GLY 56 HA1 GLY 56 -9.692 0.328 13.639 435 H SER 57 HN SER 57 -8.129 0.617 10.604 436 HA SER 57 HA SER 57 -7.067 3.269 11.441 437 HB2 SER 57 HB2 SER 57 -5.881 1.682 9.206 438 HB3 SER 57 HB1 SER 57 -5.085 2.718 10.387 439 HG SER 57 HG SER 57 -4.675 0.877 11.329 440 H LEU 58 HN LEU 58 -8.825 1.661 8.874 441 HA LEU 58 HA LEU 58 -8.830 4.217 7.315 442 HB2 LEU 58 HB2 LEU 58 -9.706 1.572 6.189 443 HB3 LEU 58 HB1 LEU 58 -9.091 2.988 5.339 444 HG LEU 58 HG LEU 58 -7.474 1.156 7.142 445 HD11 LEU 58 HD11 LEU 58 -8.246 0.500 4.698 446 HD12 LEU 58 HD12 LEU 58 -6.575 0.226 5.198 447 HD13 LEU 58 HD13 LEU 58 -6.985 1.632 4.216 448 HD21 LEU 58 HD21 LEU 58 -5.677 2.661 5.767 449 HD22 LEU 58 HD22 LEU 58 -6.262 3.093 7.371 450 HD23 LEU 58 HD23 LEU 58 -6.981 3.832 5.941 451 H PHE 59 HN PHE 59 -10.945 4.444 6.004 452 HA PHE 59 HA PHE 59 -13.281 3.575 7.649 453 HB2 PHE 59 HB2 PHE 59 -12.938 6.304 6.380 454 HB3 PHE 59 HB1 PHE 59 -14.281 5.775 7.394 455 HD1 PHE 59 HD2 PHE 59 -10.563 6.202 7.421 456 HD2 PHE 59 HD1 PHE 59 -14.186 6.053 9.723 457 HE1 PHE 59 HE2 PHE 59 -9.303 6.880 9.447 458 HE2 PHE 59 HE1 PHE 59 -12.926 6.730 11.750 459 HZ PHE 59 HZ PHE 59 -10.484 7.144 11.612 460 H MET 60 HN MET 60 -14.632 2.400 6.395 461 HA MET 60 HA MET 60 -14.358 2.436 3.481 462 HB2 MET 60 HB2 MET 60 -16.410 0.967 5.157 463 HB3 MET 60 HB1 MET 60 -15.923 0.597 3.503 464 HG2 MET 60 HG2 MET 60 -14.427 -0.829 4.423 465 HG3 MET 60 HG1 MET 60 -13.515 0.610 4.877 466 HE1 MET 60 HE1 MET 60 -12.843 -1.269 7.799 467 HE2 MET 60 HE2 MET 60 -12.797 -1.493 6.052 468 HE3 MET 60 HE3 MET 60 -13.872 -2.488 7.032 469 H CYS 61 HN CYS 61 -15.894 3.155 1.997 470 HA CYS 61 HA CYS 61 -17.600 5.346 2.833 471 HB2 CYS 61 HB2 CYS 61 -16.530 5.286 0.600 472 HB3 CYS 61 HB1 CYS 61 -17.491 3.868 0.186 473 H SER 62 HN SER 62 -19.852 5.367 3.037 474 HA SER 62 HA SER 62 -21.108 2.734 3.462 475 HB2 SER 62 HB2 SER 62 -22.468 5.418 3.714 476 HB3 SER 62 HB1 SER 62 -22.862 3.913 4.540 477 HG SER 62 HG SER 62 -21.698 5.403 5.862 478 H ILE 63 HN ILE 63 -20.452 4.275 0.762 479 HA ILE 63 HA ILE 63 -23.158 4.156 -0.457 480 HB ILE 63 HB ILE 63 -20.509 5.009 -1.670 481 HG12 ILE 63 HG12 ILE 63 -21.618 6.358 0.331 482 HG13 ILE 63 HG11 ILE 63 -20.971 7.205 -1.068 483 HG21 ILE 63 HG21 ILE 63 -21.937 4.464 -3.461 484 HG22 ILE 63 HG22 ILE 63 -22.176 6.197 -3.260 485 HG23 ILE 63 HG23 ILE 63 -23.367 5.063 -2.623 486 HD11 ILE 63 HD11 ILE 63 -23.351 7.839 -0.262 487 HD12 ILE 63 HD12 ILE 63 -23.852 6.319 -0.999 488 HD13 ILE 63 HD13 ILE 63 -23.110 7.575 -1.988 489 H VAL 64 HN VAL 64 -23.219 3.052 -2.687 490 HA VAL 64 HA VAL 64 -21.352 0.743 -2.873 491 HB VAL 64 HB VAL 64 -23.903 -0.283 -3.502 492 HG11 VAL 64 HG11 VAL 64 -22.193 -0.635 -1.020 493 HG12 VAL 64 HG12 VAL 64 -21.995 -1.516 -2.535 494 HG13 VAL 64 HG13 VAL 64 -23.450 -1.747 -1.565 495 HG21 VAL 64 HG21 VAL 64 -23.891 1.139 -0.820 496 HG22 VAL 64 HG22 VAL 64 -25.174 0.105 -1.445 497 HG23 VAL 64 HG23 VAL 64 -24.830 1.649 -2.223 498 H GLN 65 HN GLN 65 -22.062 -0.543 -5.001 499 HA GLN 65 HA GLN 65 -22.177 -0.450 -7.341 500 HB2 GLN 65 HB2 GLN 65 -24.522 0.393 -6.616 501 HB3 GLN 65 HB1 GLN 65 -23.916 1.996 -7.034 502 HG2 GLN 65 HG2 GLN 65 -24.747 1.402 -9.095 503 HG3 GLN 65 HG1 GLN 65 -23.144 0.684 -9.245 504 HE21 GLN 65 HE21 GLN 65 -22.985 -1.695 -8.633 505 HE22 GLN 65 HE22 GLN 65 -24.344 -2.683 -8.875 506 H GLY 66 HN GLY 66 -19.894 0.236 -7.320 507 HA2 GLY 66 HA2 GLY 66 -18.318 1.616 -8.450 508 HA3 GLY 66 HA1 GLY 66 -19.572 2.840 -8.649 509 H CYS 67 HN CYS 67 -17.792 1.261 -5.968 510 HA CYS 67 HA CYS 67 -16.810 3.790 -4.967 511 HB2 CYS 67 HB2 CYS 67 -19.248 3.881 -4.306 512 HB3 CYS 67 HB1 CYS 67 -18.964 2.459 -3.302 513 H LYS 68 HN LYS 68 -17.327 2.320 -2.174 514 HA LYS 68 HA LYS 68 -16.178 0.737 -0.863 515 HB2 LYS 68 HB2 LYS 68 -16.467 -0.579 -3.203 516 HB3 LYS 68 HB1 LYS 68 -14.710 -0.417 -3.179 517 HG2 LYS 68 HG2 LYS 68 -14.839 -1.283 -0.757 518 HG3 LYS 68 HG1 LYS 68 -16.489 -1.769 -1.148 519 HD2 LYS 68 HD2 LYS 68 -15.099 -2.727 -3.315 520 HD3 LYS 68 HD1 LYS 68 -13.933 -2.952 -2.009 521 HE2 LYS 68 HE2 LYS 68 -15.323 -4.943 -2.168 522 HE3 LYS 68 HE1 LYS 68 -15.721 -4.089 -0.676 523 HZ1 LYS 68 HZ1 LYS 68 -17.709 -3.351 -1.519 524 HZ2 LYS 68 HZ2 LYS 68 -17.602 -4.887 -2.237 525 HZ3 LYS 68 HZ3 LYS 68 -17.218 -3.498 -3.135 526 H ARG 69 HN ARG 69 -15.085 3.375 -1.782 527 HA ARG 69 HA ARG 69 -12.177 2.855 -1.865 528 HB2 ARG 69 HB2 ARG 69 -13.893 5.307 -2.212 529 HB3 ARG 69 HB1 ARG 69 -12.153 5.450 -1.954 530 HG2 ARG 69 HG2 ARG 69 -11.708 4.060 -3.908 531 HG3 ARG 69 HG1 ARG 69 -13.435 3.783 -4.139 532 HD2 ARG 69 HD2 ARG 69 -13.805 5.899 -4.968 533 HD3 ARG 69 HD1 ARG 69 -12.517 6.617 -4.002 534 HE ARG 69 HE ARG 69 -11.007 6.151 -5.762 535 HH11 ARG 69 HH21 ARG 69 -13.979 4.435 -6.082 536 HH12 ARG 69 HH22 ARG 69 -13.624 3.849 -7.672 537 HH21 ARG 69 HH11 ARG 69 -10.525 5.395 -7.837 538 HH22 ARG 69 HH12 ARG 69 -11.669 4.393 -8.666 539 H THR 70 HN THR 70 -10.956 2.912 -0.028 540 HA THR 70 HA THR 70 -12.252 3.786 2.485 541 HB THR 70 HB THR 70 -9.620 2.988 3.041 542 HG1 THR 70 HG1 THR 70 -10.573 0.877 1.593 543 HG21 THR 70 HG21 THR 70 -10.725 0.992 3.985 544 HG22 THR 70 HG22 THR 70 -12.194 1.391 3.094 545 HG23 THR 70 HG23 THR 70 -11.617 2.465 4.369 546 H TYR 71 HN TYR 71 -10.489 4.883 4.037 547 HA TYR 71 HA TYR 71 -8.708 6.747 2.665 548 HB2 TYR 71 HB2 TYR 71 -11.285 7.668 3.935 549 HB3 TYR 71 HB1 TYR 71 -9.900 8.744 3.762 550 HD1 TYR 71 HD2 TYR 71 -9.009 9.298 1.507 551 HD2 TYR 71 HD1 TYR 71 -12.597 6.993 2.024 552 HE1 TYR 71 HE2 TYR 71 -9.613 9.706 -0.863 553 HE2 TYR 71 HE1 TYR 71 -13.198 7.398 -0.348 554 HH TYR 71 HH TYR 71 -11.356 9.620 -2.357 555 H LEU 72 HN LEU 72 -8.248 8.542 4.670 556 HA LEU 72 HA LEU 72 -7.423 6.790 6.938 557 HB2 LEU 72 HB2 LEU 72 -6.067 9.364 6.788 558 HB3 LEU 72 HB1 LEU 72 -5.382 7.741 6.854 559 HG LEU 72 HG LEU 72 -6.471 9.091 4.361 560 HD11 LEU 72 HD11 LEU 72 -4.423 9.992 4.171 561 HD12 LEU 72 HD12 LEU 72 -3.732 8.369 4.150 562 HD13 LEU 72 HD13 LEU 72 -3.922 9.228 5.679 563 HD21 LEU 72 HD21 LEU 72 -5.982 6.327 5.020 564 HD22 LEU 72 HD22 LEU 72 -4.815 6.845 3.804 565 HD23 LEU 72 HD23 LEU 72 -6.542 7.008 3.493 566 H SER 73 HN SER 73 -9.516 9.337 6.124 567 HA SER 73 HA SER 73 -10.089 9.766 8.983 568 HB2 SER 73 HB2 SER 73 -8.560 11.538 8.828 569 HB3 SER 73 HB1 SER 73 -8.992 11.893 7.157 570 HG SER 73 HG SER 73 -9.921 13.426 8.515 571 H GLN 74 HN GLN 74 -12.259 10.047 9.272 572 HA GLN 74 HA GLN 74 -14.178 9.579 7.334 573 HB2 GLN 74 HB2 GLN 74 -14.433 11.440 9.709 574 HB3 GLN 74 HB1 GLN 74 -15.784 10.746 8.809 575 HG2 GLN 74 HG2 GLN 74 -13.676 8.917 9.896 576 HG3 GLN 74 HG1 GLN 74 -14.901 9.555 10.991 577 HE21 GLN 74 HE21 GLN 74 -14.615 7.884 7.817 578 HE22 GLN 74 HE22 GLN 74 -16.067 7.023 7.971 579 H ARG 75 HN ARG 75 -12.486 12.544 8.026 580 HA ARG 75 HA ARG 75 -14.128 14.356 6.568 581 HB2 ARG 75 HB2 ARG 75 -12.426 15.160 8.104 582 HB3 ARG 75 HB1 ARG 75 -11.160 14.331 7.203 583 HG2 ARG 75 HG2 ARG 75 -11.279 16.804 6.755 584 HG3 ARG 75 HG1 ARG 75 -11.453 15.814 5.306 585 HD2 ARG 75 HD2 ARG 75 -13.738 16.231 5.139 586 HD3 ARG 75 HD1 ARG 75 -13.887 16.624 6.848 587 HE ARG 75 HE ARG 75 -12.228 18.504 5.334 588 HH11 ARG 75 HH21 ARG 75 -15.362 17.596 6.447 589 HH12 ARG 75 HH22 ARG 75 -16.007 19.200 6.352 590 HH21 ARG 75 HH11 ARG 75 -13.052 20.604 5.204 591 HH22 ARG 75 HH12 ARG 75 -14.699 20.904 5.648 592 H ASP 76 HN ASP 76 -11.548 12.205 5.592 593 HA ASP 76 HA ASP 76 -11.483 13.253 2.860 594 HB2 ASP 76 HB2 ASP 76 -10.075 11.018 4.310 595 HB3 ASP 76 HB1 ASP 76 -10.003 11.133 2.552 596 H LEU 77 HN LEU 77 -12.859 10.552 4.634 597 HA LEU 77 HA LEU 77 -13.796 9.216 2.234 598 HB2 LEU 77 HB2 LEU 77 -13.599 7.733 4.015 599 HB3 LEU 77 HB1 LEU 77 -14.201 8.892 5.181 600 HG LEU 77 HG LEU 77 -16.064 7.967 3.018 601 HD11 LEU 77 HD11 LEU 77 -15.441 5.824 3.603 602 HD12 LEU 77 HD12 LEU 77 -16.673 6.136 4.828 603 HD13 LEU 77 HD13 LEU 77 -14.968 6.293 5.233 604 HD21 LEU 77 HD21 LEU 77 -16.355 9.610 5.223 605 HD22 LEU 77 HD22 LEU 77 -16.909 8.062 5.847 606 HD23 LEU 77 HD23 LEU 77 -17.677 8.762 4.425 607 H GLN 78 HN GLN 78 -14.949 11.568 4.535 608 HA GLN 78 HA GLN 78 -17.661 11.618 3.531 609 HB2 GLN 78 HB2 GLN 78 -16.976 12.532 5.788 610 HB3 GLN 78 HB1 GLN 78 -16.179 13.857 4.942 611 HG2 GLN 78 HG2 GLN 78 -18.325 14.703 5.504 612 HG3 GLN 78 HG1 GLN 78 -18.452 14.264 3.801 613 HE21 GLN 78 HE21 GLN 78 -19.555 12.172 3.297 614 HE22 GLN 78 HE22 GLN 78 -20.666 11.520 4.402 615 H ALA 79 HN ALA 79 -14.636 13.110 2.780 616 HA ALA 79 HA ALA 79 -15.718 15.028 0.901 617 HB1 ALA 79 HB1 ALA 79 -12.926 13.854 1.109 618 HB2 ALA 79 HB2 ALA 79 -13.477 15.309 1.939 619 HB3 ALA 79 HB3 ALA 79 -13.373 15.283 0.179 620 H HIS 80 HN HIS 80 -15.031 11.632 0.912 621 HA HIS 80 HA HIS 80 -14.760 11.451 -1.996 622 HB2 HIS 80 HB2 HIS 80 -13.831 9.542 -1.188 623 HB3 HIS 80 HB1 HIS 80 -14.830 9.560 0.256 624 HD1 HIS 80 HD1 HIS 80 -15.379 8.997 -3.474 625 HD2 HIS 80 HD2 HIS 80 -16.725 7.585 0.205 626 HE1 HIS 80 HE1 HIS 80 -17.035 7.148 -3.981 627 H ILE 81 HN ILE 81 -17.353 11.052 0.347 628 HA ILE 81 HA ILE 81 -19.334 10.097 -1.458 629 HB ILE 81 HB ILE 81 -20.080 11.972 0.760 630 HG12 ILE 81 HG12 ILE 81 -18.304 10.495 1.646 631 HG13 ILE 81 HG11 ILE 81 -19.848 10.246 2.429 632 HG21 ILE 81 HG21 ILE 81 -21.883 11.030 -0.554 633 HG22 ILE 81 HG22 ILE 81 -21.908 10.289 1.044 634 HG23 ILE 81 HG23 ILE 81 -21.255 9.401 -0.329 635 HD11 ILE 81 HD11 ILE 81 -18.847 8.537 0.139 636 HD12 ILE 81 HD12 ILE 81 -20.258 8.244 1.150 637 HD13 ILE 81 HD13 ILE 81 -18.639 8.113 1.834 638 H ASN 82 HN ASN 82 -18.735 13.432 -0.307 639 HA ASN 82 HA ASN 82 -20.666 14.515 -2.160 640 HB2 ASN 82 HB2 ASN 82 -19.373 16.701 -1.680 641 HB3 ASN 82 HB1 ASN 82 -20.209 15.922 -0.338 642 HD21 ASN 82 HD21 ASN 82 -18.946 15.794 1.497 643 HD22 ASN 82 HD22 ASN 82 -17.258 15.653 1.518 644 H HIS 83 HN HIS 83 -17.384 13.477 -2.494 645 HA HIS 83 HA HIS 83 -17.007 15.134 -4.886 646 HB2 HIS 83 HB2 HIS 83 -15.286 13.059 -3.557 647 HB3 HIS 83 HB1 HIS 83 -14.856 13.789 -5.097 648 HD1 HIS 83 HD1 HIS 83 -12.795 14.639 -3.391 649 HD2 HIS 83 HD2 HIS 83 -16.520 16.482 -3.028 650 HE1 HIS 83 HE1 HIS 83 -12.396 16.833 -2.185 651 HE2 HIS 83 HE2 HIS 83 -14.657 17.961 -1.957 652 H ARG 84 HN ARG 84 -18.416 12.047 -4.253 653 HA ARG 84 HA ARG 84 -18.071 11.338 -7.127 654 HB2 ARG 84 HB2 ARG 84 -18.411 9.456 -4.807 655 HB3 ARG 84 HB1 ARG 84 -18.143 8.996 -6.488 656 HG2 ARG 84 HG2 ARG 84 -16.233 10.673 -4.829 657 HG3 ARG 84 HG1 ARG 84 -16.044 8.949 -5.137 658 HD2 ARG 84 HD2 ARG 84 -16.351 9.837 -7.682 659 HD3 ARG 84 HD1 ARG 84 -15.600 11.254 -6.952 660 HE ARG 84 HE ARG 84 -14.019 9.158 -6.081 661 HH11 ARG 84 HH21 ARG 84 -15.206 10.297 -9.110 662 HH12 ARG 84 HH22 ARG 84 -13.834 9.739 -10.009 663 HH21 ARG 84 HH11 ARG 84 -12.221 8.422 -7.236 664 HH22 ARG 84 HH12 ARG 84 -12.144 8.677 -8.947 665 H HIS 85 HN HIS 85 -20.412 11.161 -4.461 666 HA HIS 85 HA HIS 85 -22.542 11.166 -6.520 667 HB2 HIS 85 HB2 HIS 85 -23.554 9.387 -4.682 668 HB3 HIS 85 HB1 HIS 85 -22.830 8.939 -6.226 669 HD1 HIS 85 HD1 HIS 85 -21.071 7.205 -5.956 670 HD2 HIS 85 HD2 HIS 85 -21.236 9.730 -2.644 671 HE1 HIS 85 HE1 HIS 85 -19.299 6.381 -4.343 672 H MET 86 HN MET 86 -21.507 11.682 -3.246 673 HA MET 86 HA MET 86 -22.385 13.065 -1.560 674 HB2 MET 86 HB2 MET 86 -22.633 14.554 -3.706 675 HB3 MET 86 HB1 MET 86 -24.351 14.187 -3.536 676 HG2 MET 86 HG2 MET 86 -23.811 14.840 -0.983 677 HG3 MET 86 HG1 MET 86 -22.579 15.816 -1.782 678 HE1 MET 86 HE1 MET 86 -23.122 18.251 -2.468 679 HE2 MET 86 HE2 MET 86 -23.492 17.803 -0.804 680 HE3 MET 86 HE3 MET 86 -24.609 18.828 -1.702 681 H ARG 87 HN ARG 87 -23.520 10.431 -2.044 682 HA ARG 87 HA ARG 87 -26.401 10.810 -1.467 683 HB2 ARG 87 HB2 ARG 87 -24.912 8.833 -2.845 684 HB3 ARG 87 HB1 ARG 87 -25.560 8.057 -1.400 685 HG2 ARG 87 HG2 ARG 87 -27.197 7.859 -3.186 686 HG3 ARG 87 HG1 ARG 87 -27.815 8.983 -1.975 687 HD2 ARG 87 HD2 ARG 87 -27.994 10.574 -3.553 688 HD3 ARG 87 HD1 ARG 87 -26.254 10.488 -3.828 689 HE ARG 87 HE ARG 87 -27.327 8.318 -5.230 690 HH11 ARG 87 HH21 ARG 87 -27.687 11.746 -5.116 691 HH12 ARG 87 HH22 ARG 87 -28.098 11.892 -6.792 692 HH21 ARG 87 HH11 ARG 87 -27.861 8.489 -7.420 693 HH22 ARG 87 HH12 ARG 87 -28.196 10.049 -8.097 694 H ALA 88 HN ALA 88 -27.237 9.235 0.322 695 HA ALA 88 HA ALA 88 -25.785 9.884 2.767 696 HB1 ALA 88 HB1 ALA 88 -28.441 8.896 2.041 697 HB2 ALA 88 HB2 ALA 88 -27.943 9.840 3.445 698 HB3 ALA 88 HB3 ALA 88 -27.782 8.084 3.462 699 H GLY 89 HN GLY 89 -27.017 6.733 1.584 700 HA2 GLY 89 HA2 GLY 89 -24.669 5.281 1.444 701 HA3 GLY 89 HA1 GLY 89 -25.043 5.295 3.169 Start of MODEL 13 1 H1 VAL 1 HT1 VAL 1 -16.962 -6.613 3.882 2 H2 VAL 1 HT2 VAL 1 -15.664 -6.385 2.810 3 H3 VAL 1 HT3 VAL 1 -16.690 -5.086 3.194 4 HA VAL 1 HA VAL 1 -14.547 -4.952 4.357 5 HB VAL 1 HB VAL 1 -15.599 -4.792 6.686 6 HG11 VAL 1 HG11 VAL 1 -15.630 -2.777 5.511 7 HG12 VAL 1 HG12 VAL 1 -17.352 -3.053 5.765 8 HG13 VAL 1 HG13 VAL 1 -16.619 -3.436 4.208 9 HG21 VAL 1 HG21 VAL 1 -17.824 -5.385 7.014 10 HG22 VAL 1 HG22 VAL 1 -17.322 -6.645 5.886 11 HG23 VAL 1 HG23 VAL 1 -18.221 -5.245 5.301 12 H HIS 2 HN HIS 2 -13.085 -5.922 5.785 13 HA HIS 2 HA HIS 2 -11.932 -7.641 6.856 14 HB2 HIS 2 HB2 HIS 2 -14.000 -7.775 8.259 15 HB3 HIS 2 HB1 HIS 2 -14.630 -8.984 7.143 16 HD1 HIS 2 HD1 HIS 2 -12.150 -8.513 9.884 17 HD2 HIS 2 HD2 HIS 2 -13.216 -11.480 7.155 18 HE1 HIS 2 HE1 HIS 2 -11.029 -10.646 10.671 19 HE2 HIS 2 HE2 HIS 2 -11.671 -12.459 9.018 20 H PHE 3 HN PHE 3 -14.496 -9.098 4.867 21 HA PHE 3 HA PHE 3 -12.758 -11.251 3.981 22 HB2 PHE 3 HB2 PHE 3 -15.498 -10.289 3.153 23 HB3 PHE 3 HB1 PHE 3 -14.669 -11.574 2.276 24 HD1 PHE 3 HD2 PHE 3 -16.209 -10.605 5.485 25 HD2 PHE 3 HD1 PHE 3 -14.269 -13.750 3.295 26 HE1 PHE 3 HE2 PHE 3 -16.917 -12.241 7.207 27 HE2 PHE 3 HE1 PHE 3 -14.976 -15.386 5.018 28 HZ PHE 3 HZ PHE 3 -16.300 -14.633 6.975 29 H CYS 4 HN CYS 4 -11.019 -10.669 2.720 30 HA CYS 4 HA CYS 4 -10.659 -8.378 1.201 31 HB2 CYS 4 HB2 CYS 4 -8.984 -10.255 1.603 32 HB3 CYS 4 HB1 CYS 4 -9.738 -11.098 0.250 33 H ASP 5 HN ASP 5 -11.134 -7.754 -0.933 34 HA ASP 5 HA ASP 5 -13.534 -9.015 -2.054 35 HB2 ASP 5 HB2 ASP 5 -12.147 -6.805 -3.488 36 HB3 ASP 5 HB1 ASP 5 -13.867 -7.037 -3.174 37 H LYS 6 HN LYS 6 -10.089 -8.865 -2.754 38 HA LYS 6 HA LYS 6 -10.518 -10.041 -5.424 39 HB2 LYS 6 HB2 LYS 6 -8.332 -8.680 -4.028 40 HB3 LYS 6 HB1 LYS 6 -7.798 -10.083 -4.953 41 HG2 LYS 6 HG2 LYS 6 -9.642 -8.003 -6.139 42 HG3 LYS 6 HG1 LYS 6 -7.890 -7.842 -6.205 43 HD2 LYS 6 HD2 LYS 6 -7.681 -9.448 -7.794 44 HD3 LYS 6 HD1 LYS 6 -8.854 -10.502 -7.006 45 HE2 LYS 6 HE2 LYS 6 -10.703 -9.272 -7.954 46 HE3 LYS 6 HE1 LYS 6 -9.619 -8.028 -8.576 47 HZ1 LYS 6 HZ1 LYS 6 -10.032 -10.776 -9.526 48 HZ2 LYS 6 HZ2 LYS 6 -8.522 -10.036 -9.767 49 HZ3 LYS 6 HZ3 LYS 6 -9.927 -9.335 -10.415 50 H CYS 7 HN CYS 7 -9.018 -10.945 -2.324 51 HA CYS 7 HA CYS 7 -8.555 -13.663 -3.324 52 HB2 CYS 7 HB2 CYS 7 -8.173 -12.683 -0.495 53 HB3 CYS 7 HB1 CYS 7 -7.385 -14.049 -1.283 54 H GLY 8 HN GLY 8 -10.893 -11.972 -1.339 55 HA2 GLY 8 HA2 GLY 8 -12.997 -12.746 -0.598 56 HA3 GLY 8 HA1 GLY 8 -12.669 -14.275 -1.413 57 H LEU 9 HN LEU 9 -10.123 -13.353 0.622 58 HA LEU 9 HA LEU 9 -10.994 -15.360 2.651 59 HB2 LEU 9 HB2 LEU 9 -8.401 -14.499 1.513 60 HB3 LEU 9 HB1 LEU 9 -8.387 -14.791 3.251 61 HG LEU 9 HG LEU 9 -9.359 -17.028 2.890 62 HD11 LEU 9 HD11 LEU 9 -9.725 -15.921 0.195 63 HD12 LEU 9 HD12 LEU 9 -10.581 -17.242 0.993 64 HD13 LEU 9 HD13 LEU 9 -9.036 -17.545 0.195 65 HD21 LEU 9 HD21 LEU 9 -6.850 -16.595 2.791 66 HD22 LEU 9 HD22 LEU 9 -6.997 -16.639 1.033 67 HD23 LEU 9 HD23 LEU 9 -7.391 -18.069 1.987 68 HA PRO 10 HA PRO 10 -11.540 -12.218 5.690 69 HB2 PRO 10 HB2 PRO 10 -10.473 -13.356 7.944 70 HB3 PRO 10 HB1 PRO 10 -12.069 -13.748 7.278 71 HG2 PRO 10 HG2 PRO 10 -9.514 -15.247 7.067 72 HG3 PRO 10 HG1 PRO 10 -11.173 -15.852 7.199 73 HD2 PRO 10 HD2 PRO 10 -9.775 -15.794 4.836 74 HD3 PRO 10 HD1 PRO 10 -11.547 -15.710 4.924 75 H ILE 11 HN ILE 11 -10.322 -10.491 5.292 76 HA ILE 11 HA ILE 11 -7.538 -10.243 5.131 77 HB ILE 11 HB ILE 11 -9.649 -8.236 5.960 78 HG12 ILE 11 HG12 ILE 11 -8.232 -8.532 3.315 79 HG13 ILE 11 HG11 ILE 11 -9.708 -9.422 3.673 80 HG21 ILE 11 HG21 ILE 11 -6.795 -7.790 5.071 81 HG22 ILE 11 HG22 ILE 11 -7.452 -7.404 6.656 82 HG23 ILE 11 HG23 ILE 11 -8.001 -6.523 5.233 83 HD11 ILE 11 HD11 ILE 11 -9.885 -6.573 4.355 84 HD12 ILE 11 HD12 ILE 11 -11.007 -7.582 3.442 85 HD13 ILE 11 HD13 ILE 11 -9.611 -6.863 2.638 86 H LYS 12 HN LYS 12 -6.226 -11.010 6.755 87 HA LYS 12 HA LYS 12 -6.871 -10.707 9.576 88 HB2 LYS 12 HB2 LYS 12 -4.202 -11.303 8.247 89 HB3 LYS 12 HB1 LYS 12 -4.577 -11.525 9.956 90 HG2 LYS 12 HG2 LYS 12 -6.622 -12.902 8.701 91 HG3 LYS 12 HG1 LYS 12 -5.232 -13.238 7.668 92 HD2 LYS 12 HD2 LYS 12 -5.365 -13.649 10.670 93 HD3 LYS 12 HD1 LYS 12 -5.366 -14.918 9.445 94 HE2 LYS 12 HE2 LYS 12 -3.136 -13.489 8.741 95 HE3 LYS 12 HE1 LYS 12 -3.118 -13.326 10.497 96 HZ1 LYS 12 HZ1 LYS 12 -2.895 -15.565 10.799 97 HZ2 LYS 12 HZ2 LYS 12 -2.040 -15.382 9.341 98 HZ3 LYS 12 HZ3 LYS 12 -3.636 -15.964 9.327 99 H VAL 13 HN VAL 13 -4.955 -9.002 7.176 100 HA VAL 13 HA VAL 13 -4.884 -6.631 8.937 101 HB VAL 13 HB VAL 13 -2.468 -7.204 7.327 102 HG11 VAL 13 HG11 VAL 13 -2.913 -6.039 10.087 103 HG12 VAL 13 HG12 VAL 13 -2.733 -5.107 8.601 104 HG13 VAL 13 HG13 VAL 13 -1.379 -6.053 9.218 105 HG21 VAL 13 HG21 VAL 13 -3.122 -8.601 9.931 106 HG22 VAL 13 HG22 VAL 13 -1.492 -8.494 9.267 107 HG23 VAL 13 HG23 VAL 13 -2.748 -9.361 8.384 108 H TYR 14 HN TYR 14 -5.106 -4.740 7.690 109 HA TYR 14 HA TYR 14 -6.137 -5.126 5.016 110 HB2 TYR 14 HB2 TYR 14 -5.682 -2.773 6.788 111 HB3 TYR 14 HB1 TYR 14 -5.931 -2.496 5.067 112 HD1 TYR 14 HD1 TYR 14 -7.404 -5.151 7.263 113 HD2 TYR 14 HD2 TYR 14 -8.107 -1.634 4.911 114 HE1 TYR 14 HE1 TYR 14 -9.842 -5.442 7.563 115 HE2 TYR 14 HE2 TYR 14 -10.551 -1.919 5.214 116 HH TYR 14 HH TYR 14 -12.105 -4.006 5.703 117 H GLY 15 HN GLY 15 -4.838 -5.545 3.346 118 HA2 GLY 15 HA2 GLY 15 -2.074 -4.626 3.241 119 HA3 GLY 15 HA1 GLY 15 -2.921 -5.511 1.966 120 H ARG 16 HN ARG 16 -2.670 -2.361 3.505 121 HA ARG 16 HA ARG 16 -4.309 -0.875 1.735 122 HB2 ARG 16 HB2 ARG 16 -2.926 -0.254 3.949 123 HB3 ARG 16 HB1 ARG 16 -1.790 0.355 2.753 124 HG2 ARG 16 HG2 ARG 16 -3.083 2.237 2.993 125 HG3 ARG 16 HG1 ARG 16 -4.000 1.431 1.722 126 HD2 ARG 16 HD2 ARG 16 -5.534 0.489 3.379 127 HD3 ARG 16 HD1 ARG 16 -4.577 1.166 4.693 128 HE ARG 16 HE ARG 16 -5.673 3.206 4.335 129 HH11 ARG 16 HH21 ARG 16 -5.783 1.219 1.519 130 HH12 ARG 16 HH22 ARG 16 -6.821 2.295 0.645 131 HH21 ARG 16 HH11 ARG 16 -7.029 4.610 3.214 132 HH22 ARG 16 HH12 ARG 16 -7.527 4.213 1.603 133 H MET 17 HN MET 17 -3.945 0.074 -0.240 134 HA MET 17 HA MET 17 -1.256 -0.313 -1.494 135 HB2 MET 17 HB2 MET 17 -3.882 -0.533 -2.982 136 HB3 MET 17 HB1 MET 17 -2.276 -0.977 -3.553 137 HG2 MET 17 HG2 MET 17 -2.428 -2.520 -1.332 138 HG3 MET 17 HG1 MET 17 -4.130 -2.461 -1.789 139 HE1 MET 17 HE1 MET 17 -0.648 -2.595 -3.092 140 HE2 MET 17 HE2 MET 17 -0.571 -3.952 -4.212 141 HE3 MET 17 HE3 MET 17 -0.738 -4.253 -2.488 142 H ILE 18 HN ILE 18 -0.461 1.580 -2.323 143 HA ILE 18 HA ILE 18 -2.384 3.804 -2.838 144 HB ILE 18 HB ILE 18 -0.014 5.083 -2.395 145 HG12 ILE 18 HG12 ILE 18 -0.063 2.721 -0.498 146 HG13 ILE 18 HG11 ILE 18 1.079 2.948 -1.822 147 HG21 ILE 18 HG21 ILE 18 -0.907 5.637 -0.177 148 HG22 ILE 18 HG22 ILE 18 -1.949 4.218 -0.218 149 HG23 ILE 18 HG23 ILE 18 -2.239 5.556 -1.325 150 HD11 ILE 18 HD11 ILE 18 2.117 3.722 0.235 151 HD12 ILE 18 HD12 ILE 18 0.725 4.745 0.588 152 HD13 ILE 18 HD13 ILE 18 1.768 5.121 -0.782 153 HA PRO 19 HA PRO 19 -1.848 5.954 -3.565 154 HB2 PRO 19 HB2 PRO 19 -2.570 7.397 -5.727 155 HB3 PRO 19 HB1 PRO 19 -0.910 7.414 -5.099 156 HG2 PRO 19 HG2 PRO 19 -2.023 6.019 -7.466 157 HG3 PRO 19 HG1 PRO 19 -0.427 6.745 -7.225 158 HD2 PRO 19 HD2 PRO 19 -1.012 4.009 -7.028 159 HD3 PRO 19 HD1 PRO 19 0.445 4.801 -6.401 160 H CYS 20 HN CYS 20 -2.994 3.453 -5.435 161 HA CYS 20 HA CYS 20 -5.611 4.190 -6.183 162 HB2 CYS 20 HB2 CYS 20 -4.472 1.987 -6.674 163 HB3 CYS 20 HB1 CYS 20 -4.819 1.509 -5.012 164 H LYS 21 HN LYS 21 -4.268 3.459 -3.034 165 HA LYS 21 HA LYS 21 -5.158 3.788 -0.899 166 HB2 LYS 21 HB2 LYS 21 -6.546 5.649 -2.522 167 HB3 LYS 21 HB1 LYS 21 -7.782 4.815 -1.583 168 HG2 LYS 21 HG2 LYS 21 -6.611 5.334 0.490 169 HG3 LYS 21 HG1 LYS 21 -5.280 6.063 -0.408 170 HD2 LYS 21 HD2 LYS 21 -8.042 7.092 -0.910 171 HD3 LYS 21 HD1 LYS 21 -7.240 7.560 0.589 172 HE2 LYS 21 HE2 LYS 21 -5.694 7.762 -1.967 173 HE3 LYS 21 HE1 LYS 21 -6.915 8.988 -1.628 174 HZ1 LYS 21 HZ1 LYS 21 -4.466 9.225 -0.760 175 HZ2 LYS 21 HZ2 LYS 21 -5.055 8.268 0.514 176 HZ3 LYS 21 HZ3 LYS 21 -5.781 9.764 0.165 177 H HIS 22 HN HIS 22 -5.665 1.465 -2.698 178 HA HIS 22 HA HIS 22 -8.300 0.524 -1.738 179 HB2 HIS 22 HB2 HIS 22 -6.543 -0.108 -3.986 180 HB3 HIS 22 HB1 HIS 22 -7.136 -1.552 -3.168 181 HD2 HIS 22 HD2 HIS 22 -10.203 -0.641 -2.495 182 HE1 HIS 22 HE1 HIS 22 -10.503 0.287 -6.604 183 HE2 HIS 22 HE2 HIS 22 -11.820 -0.166 -4.485 184 H VAL 23 HN VAL 23 -8.202 -1.975 -1.062 185 HA VAL 23 HA VAL 23 -5.756 -2.520 0.512 186 HB VAL 23 HB VAL 23 -6.743 -2.545 2.592 187 HG11 VAL 23 HG11 VAL 23 -8.538 -0.592 1.128 188 HG12 VAL 23 HG12 VAL 23 -6.885 -0.251 1.634 189 HG13 VAL 23 HG13 VAL 23 -8.128 -0.561 2.841 190 HG21 VAL 23 HG21 VAL 23 -9.324 -2.652 2.789 191 HG22 VAL 23 HG22 VAL 23 -8.482 -4.126 2.314 192 HG23 VAL 23 HG23 VAL 23 -9.299 -3.142 1.096 193 H PHE 24 HN PHE 24 -5.533 -4.721 1.159 194 HA PHE 24 HA PHE 24 -7.561 -6.700 0.422 195 HB2 PHE 24 HB2 PHE 24 -4.892 -6.876 -0.991 196 HB3 PHE 24 HB1 PHE 24 -6.327 -7.863 -1.265 197 HD1 PHE 24 HD1 PHE 24 -8.335 -6.885 -2.362 198 HD2 PHE 24 HD2 PHE 24 -4.668 -4.712 -1.943 199 HE1 PHE 24 HE1 PHE 24 -9.107 -5.264 -4.068 200 HE2 PHE 24 HE2 PHE 24 -5.431 -3.084 -3.647 201 HZ PHE 24 HZ PHE 24 -7.647 -3.364 -4.722 202 H CYS 25 HN CYS 25 -6.648 -8.971 0.945 203 HA CYS 25 HA CYS 25 -5.600 -9.030 3.540 204 HB2 CYS 25 HB2 CYS 25 -4.536 -11.312 2.215 205 HB3 CYS 25 HB1 CYS 25 -5.967 -11.227 3.240 206 H TYR 26 HN TYR 26 -3.763 -8.077 4.203 207 HA TYR 26 HA TYR 26 -1.609 -7.249 2.636 208 HB2 TYR 26 HB2 TYR 26 -1.975 -6.610 5.012 209 HB3 TYR 26 HB1 TYR 26 -1.501 -8.232 5.495 210 HD1 TYR 26 HD1 TYR 26 -0.057 -5.676 3.089 211 HD2 TYR 26 HD2 TYR 26 0.598 -8.262 6.463 212 HE1 TYR 26 HE1 TYR 26 2.306 -4.979 3.166 213 HE2 TYR 26 HE2 TYR 26 2.969 -7.561 6.529 214 HH TYR 26 HH TYR 26 4.618 -6.534 5.314 215 H ASP 27 HN ASP 27 -2.472 -10.443 3.516 216 HA ASP 27 HA ASP 27 0.198 -11.565 3.174 217 HB2 ASP 27 HB2 ASP 27 -1.606 -12.679 4.539 218 HB3 ASP 27 HB1 ASP 27 -2.482 -12.983 3.038 219 H CYS 28 HN CYS 28 -2.676 -11.039 1.227 220 HA CYS 28 HA CYS 28 -1.493 -12.361 -1.098 221 HB2 CYS 28 HB2 CYS 28 -3.554 -12.095 -2.126 222 HB3 CYS 28 HB1 CYS 28 -4.059 -12.028 -0.437 223 H ALA 29 HN ALA 29 -1.683 -9.166 0.258 224 HA ALA 29 HA ALA 29 -1.025 -7.747 -2.155 225 HB1 ALA 29 HB1 ALA 29 -0.140 -6.661 0.470 226 HB2 ALA 29 HB2 ALA 29 -1.864 -6.992 0.317 227 HB3 ALA 29 HB3 ALA 29 -1.079 -5.882 -0.805 228 H ILE 30 HN ILE 30 0.866 -9.277 0.428 229 HA ILE 30 HA ILE 30 3.380 -8.323 -0.707 230 HB ILE 30 HB ILE 30 4.430 -9.670 1.022 231 HG12 ILE 30 HG12 ILE 30 1.641 -10.700 1.605 232 HG13 ILE 30 HG11 ILE 30 2.928 -11.655 0.879 233 HG21 ILE 30 HG21 ILE 30 2.429 -7.665 1.433 234 HG22 ILE 30 HG22 ILE 30 3.907 -7.947 2.348 235 HG23 ILE 30 HG23 ILE 30 2.421 -8.769 2.804 236 HD11 ILE 30 HD11 ILE 30 4.324 -11.092 2.944 237 HD12 ILE 30 HD12 ILE 30 2.978 -12.206 3.190 238 HD13 ILE 30 HD13 ILE 30 2.823 -10.517 3.672 239 H LEU 31 HN LEU 31 1.418 -11.274 -0.816 240 HA LEU 31 HA LEU 31 3.459 -12.830 -2.162 241 HB2 LEU 31 HB2 LEU 31 0.493 -13.101 -1.839 242 HB3 LEU 31 HB1 LEU 31 1.320 -14.105 -3.020 243 HG LEU 31 HG LEU 31 2.434 -13.904 -0.243 244 HD11 LEU 31 HD11 LEU 31 -0.105 -15.237 -1.073 245 HD12 LEU 31 HD12 LEU 31 0.343 -14.549 0.487 246 HD13 LEU 31 HD13 LEU 31 0.965 -16.129 0.010 247 HD21 LEU 31 HD21 LEU 31 3.547 -15.844 -0.826 248 HD22 LEU 31 HD22 LEU 31 3.337 -15.153 -2.436 249 HD23 LEU 31 HD23 LEU 31 2.237 -16.407 -1.864 250 H HIS 32 HN HIS 32 1.271 -10.326 -3.140 251 HA HIS 32 HA HIS 32 1.481 -10.976 -5.995 252 HB2 HIS 32 HB2 HIS 32 0.063 -8.986 -4.328 253 HB3 HIS 32 HB1 HIS 32 0.595 -8.388 -5.899 254 HD1 HIS 32 HD1 HIS 32 -0.691 -9.161 -7.936 255 HD2 HIS 32 HD2 HIS 32 -1.676 -11.346 -4.522 256 HE1 HIS 32 HE1 HIS 32 -2.662 -10.626 -8.565 257 HE2 HIS 32 HE2 HIS 32 -3.269 -11.960 -6.495 258 H GLU 33 HN GLU 33 2.946 -8.830 -3.626 259 HA GLU 33 HA GLU 33 4.536 -7.349 -5.554 260 HB2 GLU 33 HB2 GLU 33 3.985 -7.240 -2.757 261 HB3 GLU 33 HB1 GLU 33 5.733 -7.368 -2.944 262 HG2 GLU 33 HG2 GLU 33 4.034 -5.379 -4.473 263 HG3 GLU 33 HG1 GLU 33 4.848 -5.006 -2.954 264 H LYS 34 HN LYS 34 4.983 -10.283 -3.648 265 HA LYS 34 HA LYS 34 7.831 -10.442 -4.330 266 HB2 LYS 34 HB2 LYS 34 5.914 -12.103 -2.731 267 HB3 LYS 34 HB1 LYS 34 7.430 -12.823 -3.272 268 HG2 LYS 34 HG2 LYS 34 8.735 -11.355 -2.014 269 HG3 LYS 34 HG1 LYS 34 7.471 -10.126 -1.953 270 HD2 LYS 34 HD2 LYS 34 6.169 -11.456 -0.399 271 HD3 LYS 34 HD1 LYS 34 7.285 -12.812 -0.560 272 HE2 LYS 34 HE2 LYS 34 9.092 -11.469 0.419 273 HE3 LYS 34 HE1 LYS 34 8.012 -10.079 0.538 274 HZ1 LYS 34 HZ1 LYS 34 8.283 -11.454 2.610 275 HZ2 LYS 34 HZ2 LYS 34 7.409 -12.679 1.820 276 HZ3 LYS 34 HZ3 LYS 34 6.685 -11.172 2.117 277 H LYS 35 HN LYS 35 4.793 -11.840 -5.444 278 HA LYS 35 HA LYS 35 6.084 -13.848 -7.094 279 HB2 LYS 35 HB2 LYS 35 3.272 -12.763 -6.956 280 HB3 LYS 35 HB1 LYS 35 3.753 -13.929 -8.187 281 HG2 LYS 35 HG2 LYS 35 4.401 -15.543 -6.504 282 HG3 LYS 35 HG1 LYS 35 4.145 -14.368 -5.215 283 HD2 LYS 35 HD2 LYS 35 1.887 -14.657 -5.228 284 HD3 LYS 35 HD1 LYS 35 1.818 -14.774 -6.987 285 HE2 LYS 35 HE2 LYS 35 2.476 -17.073 -6.955 286 HE3 LYS 35 HE1 LYS 35 2.931 -16.988 -5.253 287 HZ1 LYS 35 HZ1 LYS 35 0.722 -16.867 -4.588 288 HZ2 LYS 35 HZ2 LYS 35 0.688 -18.015 -5.840 289 HZ3 LYS 35 HZ3 LYS 35 0.169 -16.423 -6.129 290 H GLY 36 HN GLY 36 5.829 -10.515 -7.385 291 HA2 GLY 36 HA2 GLY 36 6.831 -9.296 -9.215 292 HA3 GLY 36 HA1 GLY 36 6.551 -10.688 -10.263 293 H ASP 37 HN ASP 37 4.164 -9.310 -8.088 294 HA ASP 37 HA ASP 37 2.658 -8.217 -10.410 295 HB2 ASP 37 HB2 ASP 37 1.601 -9.994 -8.194 296 HB3 ASP 37 HB1 ASP 37 0.566 -9.081 -9.291 297 H LYS 38 HN LYS 38 4.117 -6.517 -9.013 298 HA LYS 38 HA LYS 38 2.996 -5.518 -6.574 299 HB2 LYS 38 HB2 LYS 38 4.202 -3.328 -7.556 300 HB3 LYS 38 HB1 LYS 38 5.113 -4.671 -6.866 301 HG2 LYS 38 HG2 LYS 38 5.658 -5.551 -8.988 302 HG3 LYS 38 HG1 LYS 38 4.395 -4.619 -9.794 303 HD2 LYS 38 HD2 LYS 38 6.385 -2.992 -8.341 304 HD3 LYS 38 HD1 LYS 38 7.028 -3.882 -9.720 305 HE2 LYS 38 HE2 LYS 38 5.291 -2.931 -11.172 306 HE3 LYS 38 HE1 LYS 38 4.595 -2.073 -9.797 307 HZ1 LYS 38 HZ1 LYS 38 6.652 -1.231 -11.464 308 HZ2 LYS 38 HZ2 LYS 38 7.353 -1.530 -9.946 309 HZ3 LYS 38 HZ3 LYS 38 6.050 -0.449 -10.084 310 H MET 39 HN MET 39 1.252 -5.829 -9.182 311 HA MET 39 HA MET 39 0.214 -3.069 -9.352 312 HB2 MET 39 HB2 MET 39 -0.478 -5.591 -10.874 313 HB3 MET 39 HB1 MET 39 -1.237 -4.022 -11.153 314 HG2 MET 39 HG2 MET 39 0.750 -3.053 -11.940 315 HG3 MET 39 HG1 MET 39 1.758 -4.292 -11.192 316 HE1 MET 39 HE1 MET 39 -1.020 -4.841 -14.798 317 HE2 MET 39 HE2 MET 39 -1.064 -3.581 -13.566 318 HE3 MET 39 HE3 MET 39 -1.598 -5.212 -13.168 319 H CYS 40 HN CYS 40 -1.664 -2.439 -8.356 320 HA CYS 40 HA CYS 40 -2.814 -3.699 -6.196 321 HB2 CYS 40 HB2 CYS 40 -3.401 -1.418 -6.817 322 HB3 CYS 40 HB1 CYS 40 -4.231 -1.997 -8.262 323 HA PRO 41 HA PRO 41 -4.382 -7.407 -8.416 324 HB2 PRO 41 HB2 PRO 41 -5.596 -7.871 -5.732 325 HB3 PRO 41 HB1 PRO 41 -4.668 -8.981 -6.756 326 HG2 PRO 41 HG2 PRO 41 -3.613 -7.850 -4.582 327 HG3 PRO 41 HG1 PRO 41 -2.654 -8.180 -6.033 328 HD2 PRO 41 HD2 PRO 41 -3.655 -5.576 -4.996 329 HD3 PRO 41 HD1 PRO 41 -2.207 -5.928 -5.963 330 H GLY 42 HN GLY 42 -6.084 -4.892 -6.734 331 HA2 GLY 42 HA2 GLY 42 -8.722 -5.891 -7.651 332 HA3 GLY 42 HA1 GLY 42 -8.457 -4.510 -6.590 333 H CYS 43 HN CYS 43 -6.674 -2.970 -8.048 334 HA CYS 43 HA CYS 43 -8.395 -2.163 -10.324 335 HB2 CYS 43 HB2 CYS 43 -6.143 -0.657 -8.974 336 HB3 CYS 43 HB1 CYS 43 -7.252 -0.007 -10.183 337 H SER 44 HN SER 44 -5.165 -3.246 -9.566 338 HA SER 44 HA SER 44 -3.556 -4.174 -11.006 339 HB2 SER 44 HB2 SER 44 -5.771 -4.536 -12.480 340 HB3 SER 44 HB1 SER 44 -4.989 -3.319 -13.481 341 HG SER 44 HG SER 44 -3.463 -4.705 -13.972 342 H ASP 45 HN ASP 45 -3.086 -1.752 -9.952 343 HA ASP 45 HA ASP 45 -1.832 -0.249 -12.195 344 HB2 ASP 45 HB2 ASP 45 -3.816 0.689 -10.274 345 HB3 ASP 45 HB1 ASP 45 -2.338 1.650 -10.215 346 HA PRO 46 HA PRO 46 1.965 -0.473 -9.996 347 HB2 PRO 46 HB2 PRO 46 2.719 2.236 -9.951 348 HB3 PRO 46 HB1 PRO 46 3.079 1.072 -11.236 349 HG2 PRO 46 HG2 PRO 46 0.971 3.144 -11.098 350 HG3 PRO 46 HG1 PRO 46 1.851 2.512 -12.498 351 HD2 PRO 46 HD2 PRO 46 -0.723 1.821 -11.987 352 HD3 PRO 46 HD1 PRO 46 0.424 0.695 -12.749 353 H VAL 47 HN VAL 47 1.427 -1.018 -7.859 354 HA VAL 47 HA VAL 47 0.252 0.840 -5.993 355 HB VAL 47 HB VAL 47 0.701 -0.814 -4.306 356 HG11 VAL 47 HG11 VAL 47 -1.019 -1.905 -5.267 357 HG12 VAL 47 HG12 VAL 47 0.157 -2.887 -6.130 358 HG13 VAL 47 HG13 VAL 47 -0.496 -1.433 -6.875 359 HG21 VAL 47 HG21 VAL 47 2.854 -1.605 -4.497 360 HG22 VAL 47 HG22 VAL 47 2.793 -1.659 -6.258 361 HG23 VAL 47 HG23 VAL 47 2.014 -2.924 -5.309 362 H GLN 48 HN GLN 48 1.396 2.719 -5.558 363 HA GLN 48 HA GLN 48 4.138 3.150 -5.808 364 HB2 GLN 48 HB2 GLN 48 2.491 4.958 -5.346 365 HB3 GLN 48 HB1 GLN 48 2.344 4.376 -3.688 366 HG2 GLN 48 HG2 GLN 48 4.152 5.580 -3.111 367 HG3 GLN 48 HG1 GLN 48 5.126 4.682 -4.275 368 HE21 GLN 48 HE21 GLN 48 5.196 5.560 -6.536 369 HE22 GLN 48 HE22 GLN 48 4.924 7.216 -6.795 370 H ARG 49 HN ARG 49 2.385 2.311 -2.830 371 HA ARG 49 HA ARG 49 4.555 0.538 -2.061 372 HB2 ARG 49 HB2 ARG 49 4.321 2.186 0.246 373 HB3 ARG 49 HB1 ARG 49 5.752 1.908 -0.738 374 HG2 ARG 49 HG2 ARG 49 5.312 3.808 -2.103 375 HG3 ARG 49 HG1 ARG 49 3.660 3.955 -1.501 376 HD2 ARG 49 HD2 ARG 49 4.308 5.004 0.417 377 HD3 ARG 49 HD1 ARG 49 5.781 4.046 0.560 378 HE ARG 49 HE ARG 49 6.925 5.669 -0.746 379 HH11 ARG 49 HH21 ARG 49 3.504 6.139 -0.708 380 HH12 ARG 49 HH22 ARG 49 3.583 7.713 -1.425 381 HH21 ARG 49 HH11 ARG 49 7.039 7.719 -1.684 382 HH22 ARG 49 HH12 ARG 49 5.581 8.607 -1.978 383 H ILE 50 HN ILE 50 3.617 -1.130 -1.003 384 HA ILE 50 HA ILE 50 0.838 -0.885 -0.179 385 HB ILE 50 HB ILE 50 2.522 -3.239 0.571 386 HG12 ILE 50 HG12 ILE 50 1.497 -2.670 -2.227 387 HG13 ILE 50 HG11 ILE 50 3.187 -2.710 -1.746 388 HG21 ILE 50 HG21 ILE 50 -0.272 -3.005 -0.559 389 HG22 ILE 50 HG22 ILE 50 0.104 -3.034 1.163 390 HG23 ILE 50 HG23 ILE 50 0.464 -4.434 0.159 391 HD11 ILE 50 HD11 ILE 50 2.955 -5.074 -1.080 392 HD12 ILE 50 HD12 ILE 50 2.525 -4.851 -2.773 393 HD13 ILE 50 HD13 ILE 50 1.261 -5.048 -1.567 394 H GLU 51 HN GLU 51 0.080 -0.948 1.910 395 HA GLU 51 HA GLU 51 2.095 -0.981 4.095 396 HB2 GLU 51 HB2 GLU 51 -0.072 1.109 4.074 397 HB3 GLU 51 HB1 GLU 51 1.389 1.045 5.061 398 HG2 GLU 51 HG2 GLU 51 2.745 1.232 2.970 399 HG3 GLU 51 HG1 GLU 51 1.247 1.479 2.072 400 H GLN 52 HN GLN 52 1.252 -1.515 6.133 401 HA GLN 52 HA GLN 52 -1.206 -3.156 5.949 402 HB2 GLN 52 HB2 GLN 52 -0.426 -4.283 7.918 403 HB3 GLN 52 HB1 GLN 52 0.974 -4.087 6.863 404 HG2 GLN 52 HG2 GLN 52 1.322 -1.846 8.171 405 HG3 GLN 52 HG1 GLN 52 0.290 -2.600 9.386 406 HE21 GLN 52 HE21 GLN 52 1.028 -4.909 10.053 407 HE22 GLN 52 HE22 GLN 52 2.700 -5.181 10.154 408 H CYS 53 HN CYS 53 -3.026 -2.718 7.147 409 HA CYS 53 HA CYS 53 -2.903 -0.525 9.151 410 HB2 CYS 53 HB2 CYS 53 -4.108 -0.345 6.540 411 HB3 CYS 53 HB1 CYS 53 -5.358 -0.226 7.778 412 H THR 54 HN THR 54 -4.782 -0.531 10.610 413 HA THR 54 HA THR 54 -5.648 -3.265 11.189 414 HB THR 54 HB THR 54 -7.045 -1.448 12.841 415 HG1 THR 54 HG1 THR 54 -4.855 -0.434 13.519 416 HG21 THR 54 HG21 THR 54 -4.456 -2.961 13.276 417 HG22 THR 54 HG22 THR 54 -6.082 -3.592 13.536 418 HG23 THR 54 HG23 THR 54 -5.467 -2.292 14.557 419 H ARG 55 HN ARG 55 -7.942 -3.832 11.437 420 HA ARG 55 HA ARG 55 -9.522 -3.306 9.198 421 HB2 ARG 55 HB2 ARG 55 -11.449 -3.838 11.026 422 HB3 ARG 55 HB1 ARG 55 -10.418 -5.084 10.322 423 HG2 ARG 55 HG2 ARG 55 -8.999 -5.145 12.206 424 HG3 ARG 55 HG1 ARG 55 -9.567 -3.582 12.794 425 HD2 ARG 55 HD2 ARG 55 -11.279 -6.079 12.632 426 HD3 ARG 55 HD1 ARG 55 -10.497 -5.497 14.101 427 HE ARG 55 HE ARG 55 -12.910 -4.401 12.916 428 HH11 ARG 55 HH21 ARG 55 -10.043 -3.738 14.712 429 HH12 ARG 55 HH22 ARG 55 -10.707 -2.355 15.516 430 HH21 ARG 55 HH11 ARG 55 -13.794 -2.599 13.955 431 HH22 ARG 55 HH12 ARG 55 -12.831 -1.711 15.088 432 H GLY 56 HN GLY 56 -10.440 -2.043 12.412 433 HA2 GLY 56 HA2 GLY 56 -12.058 0.034 11.231 434 HA3 GLY 56 HA1 GLY 56 -11.628 -0.085 12.937 435 H SER 57 HN SER 57 -9.130 -0.021 10.456 436 HA SER 57 HA SER 57 -8.094 2.449 11.673 437 HB2 SER 57 HB2 SER 57 -6.644 0.462 11.000 438 HB3 SER 57 HB1 SER 57 -6.936 0.929 9.327 439 HG SER 57 HG SER 57 -6.274 3.121 10.589 440 H LEU 58 HN LEU 58 -9.796 1.425 8.832 441 HA LEU 58 HA LEU 58 -9.558 4.178 7.691 442 HB2 LEU 58 HB2 LEU 58 -10.530 1.867 6.061 443 HB3 LEU 58 HB1 LEU 58 -9.667 3.314 5.551 444 HG LEU 58 HG LEU 58 -8.459 1.017 7.124 445 HD11 LEU 58 HD11 LEU 58 -8.022 1.910 4.258 446 HD12 LEU 58 HD12 LEU 58 -8.993 0.519 4.737 447 HD13 LEU 58 HD13 LEU 58 -7.257 0.535 5.054 448 HD21 LEU 58 HD21 LEU 58 -6.968 2.635 7.716 449 HD22 LEU 58 HD22 LEU 58 -7.588 3.768 6.515 450 HD23 LEU 58 HD23 LEU 58 -6.420 2.535 6.043 451 H PHE 59 HN PHE 59 -11.605 4.683 6.295 452 HA PHE 59 HA PHE 59 -13.995 3.959 7.944 453 HB2 PHE 59 HB2 PHE 59 -13.180 6.464 6.509 454 HB3 PHE 59 HB1 PHE 59 -14.890 6.129 6.785 455 HD1 PHE 59 HD2 PHE 59 -15.731 5.780 9.126 456 HD2 PHE 59 HD1 PHE 59 -11.739 7.131 8.296 457 HE1 PHE 59 HE2 PHE 59 -15.503 6.553 11.472 458 HE2 PHE 59 HE1 PHE 59 -11.511 7.903 10.641 459 HZ PHE 59 HZ PHE 59 -13.394 7.614 12.230 460 H MET 60 HN MET 60 -15.294 2.523 6.915 461 HA MET 60 HA MET 60 -15.123 2.136 4.025 462 HB2 MET 60 HB2 MET 60 -15.777 0.494 6.104 463 HB3 MET 60 HB1 MET 60 -17.377 0.900 5.483 464 HG2 MET 60 HG2 MET 60 -16.752 -0.994 4.218 465 HG3 MET 60 HG1 MET 60 -16.388 0.362 3.151 466 HE1 MET 60 HE1 MET 60 -15.467 -1.806 2.219 467 HE2 MET 60 HE2 MET 60 -13.792 -2.318 2.411 468 HE3 MET 60 HE3 MET 60 -14.152 -0.778 1.635 469 H CYS 61 HN CYS 61 -16.701 2.658 2.493 470 HA CYS 61 HA CYS 61 -18.419 4.927 3.128 471 HB2 CYS 61 HB2 CYS 61 -17.406 3.621 0.752 472 HB3 CYS 61 HB1 CYS 61 -19.144 3.876 0.607 473 H SER 62 HN SER 62 -20.540 4.823 3.733 474 HA SER 62 HA SER 62 -21.887 2.152 3.645 475 HB2 SER 62 HB2 SER 62 -21.740 2.961 5.896 476 HB3 SER 62 HB1 SER 62 -22.271 4.572 5.420 477 HG SER 62 HG SER 62 -24.221 3.315 4.633 478 H ILE 63 HN ILE 63 -21.957 5.320 2.326 479 HA ILE 63 HA ILE 63 -24.645 5.857 1.845 480 HB ILE 63 HB ILE 63 -22.664 6.092 -0.405 481 HG12 ILE 63 HG12 ILE 63 -22.213 8.361 1.004 482 HG13 ILE 63 HG11 ILE 63 -22.465 7.231 2.331 483 HG21 ILE 63 HG21 ILE 63 -24.755 7.970 0.738 484 HG22 ILE 63 HG22 ILE 63 -24.983 6.936 -0.673 485 HG23 ILE 63 HG23 ILE 63 -23.802 8.244 -0.720 486 HD11 ILE 63 HD11 ILE 63 -20.829 5.693 0.972 487 HD12 ILE 63 HD12 ILE 63 -20.173 7.007 1.944 488 HD13 ILE 63 HD13 ILE 63 -20.348 7.203 0.200 489 H VAL 64 HN VAL 64 -22.541 3.867 -0.273 490 HA VAL 64 HA VAL 64 -24.897 2.185 -0.912 491 HB VAL 64 HB VAL 64 -23.230 3.642 -2.984 492 HG11 VAL 64 HG11 VAL 64 -25.253 2.336 -4.317 493 HG12 VAL 64 HG12 VAL 64 -24.799 1.153 -3.091 494 HG13 VAL 64 HG13 VAL 64 -23.586 1.768 -4.215 495 HG21 VAL 64 HG21 VAL 64 -24.974 5.064 -2.155 496 HG22 VAL 64 HG22 VAL 64 -26.141 3.742 -2.154 497 HG23 VAL 64 HG23 VAL 64 -25.564 4.406 -3.682 498 H GLN 65 HN GLN 65 -24.251 0.094 -0.777 499 HA GLN 65 HA GLN 65 -21.645 -0.765 -0.215 500 HB2 GLN 65 HB2 GLN 65 -23.287 -2.610 -1.870 501 HB3 GLN 65 HB1 GLN 65 -22.501 -2.890 -0.317 502 HG2 GLN 65 HG2 GLN 65 -24.265 -1.286 0.664 503 HG3 GLN 65 HG1 GLN 65 -25.131 -1.509 -0.856 504 HE21 GLN 65 HE21 GLN 65 -26.196 -3.532 -1.213 505 HE22 GLN 65 HE22 GLN 65 -26.245 -4.766 -0.049 506 H GLY 66 HN GLY 66 -22.927 0.331 -3.206 507 HA2 GLY 66 HA2 GLY 66 -21.272 -1.108 -5.038 508 HA3 GLY 66 HA1 GLY 66 -21.978 0.479 -5.347 509 H CYS 67 HN CYS 67 -20.811 2.186 -3.689 510 HA CYS 67 HA CYS 67 -18.024 2.209 -4.596 511 HB2 CYS 67 HB2 CYS 67 -18.496 4.415 -4.533 512 HB3 CYS 67 HB1 CYS 67 -19.943 4.139 -3.562 513 H LYS 68 HN LYS 68 -16.197 2.243 -3.179 514 HA LYS 68 HA LYS 68 -16.612 1.690 -0.319 515 HB2 LYS 68 HB2 LYS 68 -15.342 -0.327 -2.196 516 HB3 LYS 68 HB1 LYS 68 -15.217 -0.401 -0.438 517 HG2 LYS 68 HG2 LYS 68 -17.780 -0.335 -0.404 518 HG3 LYS 68 HG1 LYS 68 -17.704 -0.655 -2.138 519 HD2 LYS 68 HD2 LYS 68 -16.305 -2.676 -1.647 520 HD3 LYS 68 HD1 LYS 68 -16.568 -2.388 0.074 521 HE2 LYS 68 HE2 LYS 68 -18.350 -3.786 -0.268 522 HE3 LYS 68 HE1 LYS 68 -19.126 -2.292 -0.791 523 HZ1 LYS 68 HZ1 LYS 68 -19.491 -3.854 -2.491 524 HZ2 LYS 68 HZ2 LYS 68 -17.875 -4.379 -2.478 525 HZ3 LYS 68 HZ3 LYS 68 -18.266 -2.836 -3.071 526 H ARG 69 HN ARG 69 -15.403 3.889 -1.627 527 HA ARG 69 HA ARG 69 -12.511 3.483 -1.701 528 HB2 ARG 69 HB2 ARG 69 -14.257 5.949 -1.787 529 HB3 ARG 69 HB1 ARG 69 -12.499 6.029 -1.818 530 HG2 ARG 69 HG2 ARG 69 -13.352 6.070 -4.109 531 HG3 ARG 69 HG1 ARG 69 -12.487 4.560 -3.826 532 HD2 ARG 69 HD2 ARG 69 -15.428 4.600 -3.280 533 HD3 ARG 69 HD1 ARG 69 -14.901 4.585 -4.962 534 HE ARG 69 HE ARG 69 -14.759 2.350 -3.144 535 HH11 ARG 69 HH21 ARG 69 -13.150 4.011 -5.700 536 HH12 ARG 69 HH22 ARG 69 -12.334 2.599 -6.283 537 HH21 ARG 69 HH11 ARG 69 -13.703 0.495 -3.891 538 HH22 ARG 69 HH12 ARG 69 -12.648 0.608 -5.259 539 H THR 70 HN THR 70 -11.903 2.742 0.380 540 HA THR 70 HA THR 70 -12.807 3.968 2.811 541 HB THR 70 HB THR 70 -10.300 2.934 3.385 542 HG1 THR 70 HG1 THR 70 -9.801 1.625 1.845 543 HG21 THR 70 HG21 THR 70 -11.573 0.954 4.166 544 HG22 THR 70 HG22 THR 70 -12.981 1.536 3.277 545 HG23 THR 70 HG23 THR 70 -12.343 2.470 4.630 546 H TYR 71 HN TYR 71 -11.136 5.042 4.343 547 HA TYR 71 HA TYR 71 -9.086 6.632 2.993 548 HB2 TYR 71 HB2 TYR 71 -11.723 7.729 3.730 549 HB3 TYR 71 HB1 TYR 71 -10.349 8.664 4.318 550 HD1 TYR 71 HD2 TYR 71 -8.381 8.955 2.531 551 HD2 TYR 71 HD1 TYR 71 -12.490 8.161 1.562 552 HE1 TYR 71 HE2 TYR 71 -8.019 9.861 0.252 553 HE2 TYR 71 HE1 TYR 71 -12.127 9.066 -0.717 554 HH TYR 71 HH TYR 71 -9.327 9.387 -2.141 555 H LEU 72 HN LEU 72 -8.394 8.371 4.900 556 HA LEU 72 HA LEU 72 -8.071 6.707 7.357 557 HB2 LEU 72 HB2 LEU 72 -6.033 8.737 7.074 558 HB3 LEU 72 HB1 LEU 72 -5.843 6.993 7.235 559 HG LEU 72 HG LEU 72 -6.473 8.436 4.638 560 HD11 LEU 72 HD11 LEU 72 -3.901 7.092 5.504 561 HD12 LEU 72 HD12 LEU 72 -4.168 8.834 5.586 562 HD13 LEU 72 HD13 LEU 72 -4.179 8.012 4.025 563 HD21 LEU 72 HD21 LEU 72 -6.911 6.385 3.798 564 HD22 LEU 72 HD22 LEU 72 -6.794 5.723 5.428 565 HD23 LEU 72 HD23 LEU 72 -5.367 5.781 4.394 566 H SER 73 HN SER 73 -9.477 9.492 6.144 567 HA SER 73 HA SER 73 -9.787 10.540 8.898 568 HB2 SER 73 HB2 SER 73 -7.871 11.685 7.365 569 HB3 SER 73 HB1 SER 73 -9.271 12.607 6.826 570 HG SER 73 HG SER 73 -8.192 13.488 8.693 571 H GLN 74 HN GLN 74 -11.924 10.884 9.183 572 HA GLN 74 HA GLN 74 -13.940 10.518 7.323 573 HB2 GLN 74 HB2 GLN 74 -14.058 11.059 9.890 574 HB3 GLN 74 HB1 GLN 74 -14.237 12.727 9.343 575 HG2 GLN 74 HG2 GLN 74 -16.459 12.109 9.343 576 HG3 GLN 74 HG1 GLN 74 -16.029 11.597 7.710 577 HE21 GLN 74 HE21 GLN 74 -15.245 9.219 7.558 578 HE22 GLN 74 HE22 GLN 74 -16.001 8.089 8.576 579 H ARG 75 HN ARG 75 -11.767 13.197 7.572 580 HA ARG 75 HA ARG 75 -13.341 15.134 6.139 581 HB2 ARG 75 HB2 ARG 75 -11.293 15.623 7.536 582 HB3 ARG 75 HB1 ARG 75 -10.322 14.923 6.241 583 HG2 ARG 75 HG2 ARG 75 -11.913 16.665 4.843 584 HG3 ARG 75 HG1 ARG 75 -11.689 17.530 6.362 585 HD2 ARG 75 HD2 ARG 75 -9.196 17.034 6.126 586 HD3 ARG 75 HD1 ARG 75 -9.553 16.522 4.477 587 HE ARG 75 HE ARG 75 -10.675 19.120 4.919 588 HH11 ARG 75 HH21 ARG 75 -7.690 17.429 4.567 589 HH12 ARG 75 HH22 ARG 75 -6.848 18.786 3.898 590 HH21 ARG 75 HH11 ARG 75 -9.591 20.901 4.049 591 HH22 ARG 75 HH12 ARG 75 -7.924 20.752 3.605 592 H ASP 76 HN ASP 76 -11.068 12.605 5.143 593 HA ASP 76 HA ASP 76 -11.182 13.439 2.339 594 HB2 ASP 76 HB2 ASP 76 -10.191 10.794 3.417 595 HB3 ASP 76 HB1 ASP 76 -9.747 11.573 1.901 596 H LEU 77 HN LEU 77 -12.669 11.057 4.439 597 HA LEU 77 HA LEU 77 -14.092 9.683 2.341 598 HB2 LEU 77 HB2 LEU 77 -13.590 8.773 4.664 599 HB3 LEU 77 HB1 LEU 77 -14.826 9.878 5.266 600 HG LEU 77 HG LEU 77 -16.108 8.697 3.146 601 HD11 LEU 77 HD11 LEU 77 -15.698 6.284 3.349 602 HD12 LEU 77 HD12 LEU 77 -14.430 6.590 4.535 603 HD13 LEU 77 HD13 LEU 77 -14.223 7.122 2.868 604 HD21 LEU 77 HD21 LEU 77 -17.201 9.020 5.229 605 HD22 LEU 77 HD22 LEU 77 -16.010 8.054 6.097 606 HD23 LEU 77 HD23 LEU 77 -17.161 7.271 5.015 607 H GLN 78 HN GLN 78 -14.619 12.452 4.445 608 HA GLN 78 HA GLN 78 -17.403 12.726 3.749 609 HB2 GLN 78 HB2 GLN 78 -16.464 13.848 5.760 610 HB3 GLN 78 HB1 GLN 78 -15.466 14.856 4.711 611 HG2 GLN 78 HG2 GLN 78 -17.469 16.091 5.365 612 HG3 GLN 78 HG1 GLN 78 -17.549 15.730 3.643 613 HE21 GLN 78 HE21 GLN 78 -19.054 13.991 2.951 614 HE22 GLN 78 HE22 GLN 78 -20.316 13.496 3.971 615 H ALA 79 HN ALA 79 -14.347 13.641 2.441 616 HA ALA 79 HA ALA 79 -15.448 15.410 0.402 617 HB1 ALA 79 HB1 ALA 79 -12.921 14.214 -0.341 618 HB2 ALA 79 HB2 ALA 79 -12.868 14.727 1.345 619 HB3 ALA 79 HB3 ALA 79 -13.263 15.891 0.083 620 H HIS 80 HN HIS 80 -15.131 11.994 0.894 621 HA HIS 80 HA HIS 80 -15.136 11.289 -1.931 622 HB2 HIS 80 HB2 HIS 80 -14.375 9.634 -0.309 623 HB3 HIS 80 HB1 HIS 80 -15.940 9.666 0.496 624 HD1 HIS 80 HD1 HIS 80 -14.315 8.566 -2.730 625 HD2 HIS 80 HD2 HIS 80 -17.952 8.172 -0.743 626 HE1 HIS 80 HE1 HIS 80 -15.640 6.820 -4.001 627 H ILE 81 HN ILE 81 -17.601 11.473 0.588 628 HA ILE 81 HA ILE 81 -19.858 10.783 -0.964 629 HB ILE 81 HB ILE 81 -20.064 12.998 1.031 630 HG12 ILE 81 HG12 ILE 81 -18.458 11.609 2.093 631 HG13 ILE 81 HG11 ILE 81 -20.004 11.269 2.856 632 HG21 ILE 81 HG21 ILE 81 -22.141 12.221 0.139 633 HG22 ILE 81 HG22 ILE 81 -22.018 11.565 1.771 634 HG23 ILE 81 HG23 ILE 81 -21.693 10.534 0.383 635 HD11 ILE 81 HD11 ILE 81 -18.339 9.548 1.088 636 HD12 ILE 81 HD12 ILE 81 -20.089 9.416 0.919 637 HD13 ILE 81 HD13 ILE 81 -19.326 9.108 2.478 638 H ASN 82 HN ASN 82 -18.645 14.030 -0.207 639 HA ASN 82 HA ASN 82 -20.440 15.383 -1.964 640 HB2 ASN 82 HB2 ASN 82 -17.709 16.449 -1.293 641 HB3 ASN 82 HB1 ASN 82 -19.229 17.328 -1.462 642 HD21 ASN 82 HD21 ASN 82 -17.232 16.981 0.898 643 HD22 ASN 82 HD22 ASN 82 -18.234 16.552 2.198 644 H HIS 83 HN HIS 83 -17.566 13.565 -2.564 645 HA HIS 83 HA HIS 83 -17.035 14.982 -5.058 646 HB2 HIS 83 HB2 HIS 83 -15.783 12.651 -3.674 647 HB3 HIS 83 HB1 HIS 83 -15.406 12.970 -5.363 648 HD1 HIS 83 HD1 HIS 83 -12.972 13.728 -4.791 649 HD2 HIS 83 HD2 HIS 83 -15.937 16.022 -2.965 650 HE1 HIS 83 HE1 HIS 83 -11.820 15.795 -3.880 651 HE2 HIS 83 HE2 HIS 83 -13.616 17.199 -2.767 652 H ARG 84 HN ARG 84 -18.665 11.967 -4.143 653 HA ARG 84 HA ARG 84 -19.356 11.638 -7.032 654 HB2 ARG 84 HB2 ARG 84 -19.187 9.182 -5.405 655 HB3 ARG 84 HB1 ARG 84 -18.683 9.471 -7.072 656 HG2 ARG 84 HG2 ARG 84 -16.768 10.847 -6.163 657 HG3 ARG 84 HG1 ARG 84 -17.215 10.287 -4.550 658 HD2 ARG 84 HD2 ARG 84 -15.532 8.784 -5.271 659 HD3 ARG 84 HD1 ARG 84 -17.050 7.916 -5.499 660 HE ARG 84 HE ARG 84 -16.301 9.350 -7.895 661 HH11 ARG 84 HH21 ARG 84 -15.685 6.575 -5.946 662 HH12 ARG 84 HH22 ARG 84 -15.124 5.606 -7.267 663 HH21 ARG 84 HH11 ARG 84 -15.571 8.101 -9.632 664 HH22 ARG 84 HH12 ARG 84 -15.059 6.470 -9.354 665 H HIS 85 HN HIS 85 -20.499 11.439 -3.738 666 HA HIS 85 HA HIS 85 -23.094 10.367 -4.686 667 HB2 HIS 85 HB2 HIS 85 -22.302 10.993 -1.840 668 HB3 HIS 85 HB1 HIS 85 -23.585 9.919 -2.395 669 HD1 HIS 85 HD1 HIS 85 -22.933 7.535 -2.154 670 HD2 HIS 85 HD2 HIS 85 -19.632 9.915 -3.080 671 HE1 HIS 85 HE1 HIS 85 -20.941 5.979 -2.284 672 H MET 86 HN MET 86 -21.783 13.043 -2.787 673 HA MET 86 HA MET 86 -22.753 15.116 -2.211 674 HB2 MET 86 HB2 MET 86 -22.125 14.951 -4.847 675 HB3 MET 86 HB1 MET 86 -23.838 15.360 -4.953 676 HG2 MET 86 HG2 MET 86 -21.745 16.885 -3.371 677 HG3 MET 86 HG1 MET 86 -22.466 17.405 -4.895 678 HE1 MET 86 HE1 MET 86 -22.293 19.077 -2.334 679 HE2 MET 86 HE2 MET 86 -23.892 19.789 -2.136 680 HE3 MET 86 HE3 MET 86 -23.156 19.725 -3.735 681 H ARG 87 HN ARG 87 -24.506 12.851 -1.727 682 HA ARG 87 HA ARG 87 -26.963 14.220 -1.261 683 HB2 ARG 87 HB2 ARG 87 -27.553 14.163 -3.528 684 HB3 ARG 87 HB1 ARG 87 -26.782 12.597 -3.787 685 HG2 ARG 87 HG2 ARG 87 -28.537 11.419 -2.764 686 HG3 ARG 87 HG1 ARG 87 -29.120 12.847 -1.907 687 HD2 ARG 87 HD2 ARG 87 -30.305 13.611 -3.708 688 HD3 ARG 87 HD1 ARG 87 -29.112 13.029 -4.869 689 HE ARG 87 HE ARG 87 -30.371 11.048 -5.051 690 HH11 ARG 87 HH21 ARG 87 -31.059 12.743 -2.129 691 HH12 ARG 87 HH22 ARG 87 -32.331 11.671 -1.650 692 HH21 ARG 87 HH11 ARG 87 -32.030 9.638 -4.442 693 HH22 ARG 87 HH12 ARG 87 -32.882 9.913 -2.960 694 H ALA 88 HN ALA 88 -27.601 13.180 0.559 695 HA ALA 88 HA ALA 88 -28.119 10.343 0.609 696 HB1 ALA 88 HB1 ALA 88 -26.387 9.564 2.035 697 HB2 ALA 88 HB2 ALA 88 -25.844 11.201 2.401 698 HB3 ALA 88 HB3 ALA 88 -25.556 10.513 0.803 699 H GLY 89 HN GLY 89 -29.782 12.413 1.204 700 HA2 GLY 89 HA2 GLY 89 -31.108 13.369 2.897 701 HA3 GLY 89 HA1 GLY 89 -30.870 11.816 3.699 Start of MODEL 14 1 H1 VAL 1 HT1 VAL 1 -11.791 -3.880 4.287 2 H2 VAL 1 HT2 VAL 1 -12.898 -3.079 5.296 3 H3 VAL 1 HT3 VAL 1 -13.096 -3.034 3.609 4 HA VAL 1 HA VAL 1 -14.491 -4.667 5.095 5 HB VAL 1 HB VAL 1 -14.652 -6.151 3.115 6 HG11 VAL 1 HG11 VAL 1 -15.633 -3.777 3.216 7 HG12 VAL 1 HG12 VAL 1 -15.461 -4.493 1.614 8 HG13 VAL 1 HG13 VAL 1 -14.289 -3.302 2.178 9 HG21 VAL 1 HG21 VAL 1 -12.949 -4.902 1.271 10 HG22 VAL 1 HG22 VAL 1 -12.746 -6.515 1.957 11 HG23 VAL 1 HG23 VAL 1 -11.957 -5.129 2.712 12 H HIS 2 HN HIS 2 -14.430 -7.035 5.520 13 HA HIS 2 HA HIS 2 -11.770 -7.812 6.546 14 HB2 HIS 2 HB2 HIS 2 -13.931 -9.726 6.967 15 HB3 HIS 2 HB1 HIS 2 -12.907 -8.917 8.154 16 HD1 HIS 2 HD1 HIS 2 -13.714 -6.594 9.054 17 HD2 HIS 2 HD2 HIS 2 -16.422 -8.458 6.488 18 HE1 HIS 2 HE1 HIS 2 -15.907 -5.347 9.296 19 HE2 HIS 2 HE2 HIS 2 -17.562 -6.474 7.738 20 H PHE 3 HN PHE 3 -14.313 -9.090 4.419 21 HA PHE 3 HA PHE 3 -12.693 -11.371 3.614 22 HB2 PHE 3 HB2 PHE 3 -15.345 -10.233 2.811 23 HB3 PHE 3 HB1 PHE 3 -14.550 -11.371 1.724 24 HD1 PHE 3 HD1 PHE 3 -13.617 -13.562 2.835 25 HD2 PHE 3 HD2 PHE 3 -16.638 -11.057 4.585 26 HE1 PHE 3 HE1 PHE 3 -14.359 -15.451 4.261 27 HE2 PHE 3 HE2 PHE 3 -17.378 -12.947 6.009 28 HZ PHE 3 HZ PHE 3 -16.240 -15.143 5.847 29 H CYS 4 HN CYS 4 -10.887 -11.012 2.401 30 HA CYS 4 HA CYS 4 -10.182 -8.747 0.964 31 HB2 CYS 4 HB2 CYS 4 -8.683 -10.685 1.348 32 HB3 CYS 4 HB1 CYS 4 -9.583 -11.601 0.140 33 H ASP 5 HN ASP 5 -10.475 -8.026 -1.170 34 HA ASP 5 HA ASP 5 -12.988 -8.854 -2.400 35 HB2 ASP 5 HB2 ASP 5 -10.958 -6.955 -3.580 36 HB3 ASP 5 HB1 ASP 5 -12.700 -6.990 -3.848 37 H LYS 6 HN LYS 6 -9.552 -9.425 -2.951 38 HA LYS 6 HA LYS 6 -10.210 -10.803 -5.502 39 HB2 LYS 6 HB2 LYS 6 -8.351 -9.053 -5.388 40 HB3 LYS 6 HB1 LYS 6 -7.461 -10.221 -4.414 41 HG2 LYS 6 HG2 LYS 6 -6.736 -10.612 -6.642 42 HG3 LYS 6 HG1 LYS 6 -7.878 -11.904 -6.291 43 HD2 LYS 6 HD2 LYS 6 -9.353 -9.679 -7.344 44 HD3 LYS 6 HD1 LYS 6 -7.985 -9.994 -8.409 45 HE2 LYS 6 HE2 LYS 6 -9.937 -12.101 -7.442 46 HE3 LYS 6 HE1 LYS 6 -9.989 -11.332 -9.028 47 HZ1 LYS 6 HZ1 LYS 6 -7.388 -12.312 -8.440 48 HZ2 LYS 6 HZ2 LYS 6 -8.396 -12.664 -9.762 49 HZ3 LYS 6 HZ3 LYS 6 -8.535 -13.554 -8.322 50 H CYS 7 HN CYS 7 -8.051 -11.334 -2.707 51 HA CYS 7 HA CYS 7 -7.685 -14.103 -3.191 52 HB2 CYS 7 HB2 CYS 7 -7.685 -12.836 -0.448 53 HB3 CYS 7 HB1 CYS 7 -6.742 -14.219 -1.004 54 H GLY 8 HN GLY 8 -10.305 -12.381 -1.616 55 HA2 GLY 8 HA2 GLY 8 -12.432 -13.182 -1.008 56 HA3 GLY 8 HA1 GLY 8 -11.997 -14.727 -1.740 57 H LEU 9 HN LEU 9 -9.661 -13.720 0.492 58 HA LEU 9 HA LEU 9 -10.722 -15.658 2.499 59 HB2 LEU 9 HB2 LEU 9 -8.030 -14.850 1.574 60 HB3 LEU 9 HB1 LEU 9 -8.177 -15.061 3.317 61 HG LEU 9 HG LEU 9 -9.134 -17.314 2.963 62 HD11 LEU 9 HD11 LEU 9 -8.735 -18.161 0.498 63 HD12 LEU 9 HD12 LEU 9 -8.899 -16.451 0.098 64 HD13 LEU 9 HD13 LEU 9 -10.220 -17.299 0.901 65 HD21 LEU 9 HD21 LEU 9 -7.082 -18.400 2.233 66 HD22 LEU 9 HD22 LEU 9 -6.658 -16.969 3.173 67 HD23 LEU 9 HD23 LEU 9 -6.555 -16.930 1.413 68 HA PRO 10 HA PRO 10 -11.538 -12.404 5.346 69 HB2 PRO 10 HB2 PRO 10 -10.702 -13.452 7.735 70 HB3 PRO 10 HB1 PRO 10 -12.230 -13.861 6.934 71 HG2 PRO 10 HG2 PRO 10 -9.688 -15.389 7.046 72 HG3 PRO 10 HG1 PRO 10 -11.359 -15.974 7.015 73 HD2 PRO 10 HD2 PRO 10 -9.697 -16.003 4.819 74 HD3 PRO 10 HD1 PRO 10 -11.469 -15.932 4.710 75 H ILE 11 HN ILE 11 -10.187 -10.781 4.827 76 HA ILE 11 HA ILE 11 -7.447 -10.495 4.980 77 HB ILE 11 HB ILE 11 -9.567 -8.436 5.664 78 HG12 ILE 11 HG12 ILE 11 -8.089 -8.885 3.066 79 HG13 ILE 11 HG11 ILE 11 -9.635 -9.647 3.411 80 HG21 ILE 11 HG21 ILE 11 -6.655 -8.324 5.581 81 HG22 ILE 11 HG22 ILE 11 -7.799 -7.125 6.181 82 HG23 ILE 11 HG23 ILE 11 -7.393 -7.178 4.465 83 HD11 ILE 11 HD11 ILE 11 -10.770 -7.737 3.007 84 HD12 ILE 11 HD12 ILE 11 -9.268 -7.098 2.338 85 HD13 ILE 11 HD13 ILE 11 -9.678 -6.797 4.024 86 H LYS 12 HN LYS 12 -6.105 -10.929 6.638 87 HA LYS 12 HA LYS 12 -7.017 -10.692 9.430 88 HB2 LYS 12 HB2 LYS 12 -4.212 -11.291 8.445 89 HB3 LYS 12 HB1 LYS 12 -4.909 -11.687 10.016 90 HG2 LYS 12 HG2 LYS 12 -6.656 -13.043 8.628 91 HG3 LYS 12 HG1 LYS 12 -5.454 -12.951 7.340 92 HD2 LYS 12 HD2 LYS 12 -4.990 -14.061 10.125 93 HD3 LYS 12 HD1 LYS 12 -5.138 -15.008 8.644 94 HE2 LYS 12 HE2 LYS 12 -3.180 -13.594 7.752 95 HE3 LYS 12 HE1 LYS 12 -2.935 -13.098 9.426 96 HZ1 LYS 12 HZ1 LYS 12 -3.289 -15.898 9.276 97 HZ2 LYS 12 HZ2 LYS 12 -1.960 -15.019 9.866 98 HZ3 LYS 12 HZ3 LYS 12 -2.051 -15.424 8.218 99 H VAL 13 HN VAL 13 -5.010 -9.018 7.098 100 HA VAL 13 HA VAL 13 -4.875 -6.688 8.921 101 HB VAL 13 HB VAL 13 -2.520 -7.223 7.222 102 HG11 VAL 13 HG11 VAL 13 -1.370 -6.035 8.928 103 HG12 VAL 13 HG12 VAL 13 -2.633 -6.369 10.113 104 HG13 VAL 13 HG13 VAL 13 -2.935 -5.232 8.798 105 HG21 VAL 13 HG21 VAL 13 -3.130 -8.773 9.749 106 HG22 VAL 13 HG22 VAL 13 -1.513 -8.642 9.059 107 HG23 VAL 13 HG23 VAL 13 -2.797 -9.436 8.149 108 H TYR 14 HN TYR 14 -5.136 -4.756 7.741 109 HA TYR 14 HA TYR 14 -6.157 -5.097 5.043 110 HB2 TYR 14 HB2 TYR 14 -5.828 -2.779 6.892 111 HB3 TYR 14 HB1 TYR 14 -6.114 -2.482 5.181 112 HD1 TYR 14 HD1 TYR 14 -7.408 -5.193 7.436 113 HD2 TYR 14 HD2 TYR 14 -8.342 -1.810 4.967 114 HE1 TYR 14 HE1 TYR 14 -9.821 -5.626 7.759 115 HE2 TYR 14 HE2 TYR 14 -10.759 -2.237 5.295 116 HH TYR 14 HH TYR 14 -12.267 -3.387 6.564 117 H GLY 15 HN GLY 15 -4.663 -5.566 3.532 118 HA2 GLY 15 HA2 GLY 15 -2.028 -4.328 3.497 119 HA3 GLY 15 HA1 GLY 15 -2.702 -5.354 2.223 120 H ARG 16 HN ARG 16 -2.678 -2.124 3.554 121 HA ARG 16 HA ARG 16 -4.445 -0.940 1.624 122 HB2 ARG 16 HB2 ARG 16 -3.873 0.142 3.772 123 HB3 ARG 16 HB1 ARG 16 -2.219 0.365 3.209 124 HG2 ARG 16 HG2 ARG 16 -2.780 2.180 1.990 125 HG3 ARG 16 HG1 ARG 16 -4.171 1.358 1.281 126 HD2 ARG 16 HD2 ARG 16 -5.508 1.821 3.272 127 HD3 ARG 16 HD1 ARG 16 -4.116 2.559 4.064 128 HE ARG 16 HE ARG 16 -5.829 3.846 2.119 129 HH11 ARG 16 HH21 ARG 16 -2.602 3.539 3.296 130 HH12 ARG 16 HH22 ARG 16 -2.135 5.138 2.820 131 HH21 ARG 16 HH11 ARG 16 -5.239 5.937 1.497 132 HH22 ARG 16 HH12 ARG 16 -3.628 6.495 1.802 133 H MET 17 HN MET 17 -4.083 -0.319 -0.433 134 HA MET 17 HA MET 17 -1.270 -0.408 -1.458 135 HB2 MET 17 HB2 MET 17 -3.803 -0.815 -3.056 136 HB3 MET 17 HB1 MET 17 -2.146 -1.149 -3.555 137 HG2 MET 17 HG2 MET 17 -2.161 -2.705 -1.418 138 HG3 MET 17 HG1 MET 17 -3.903 -2.673 -1.680 139 HE1 MET 17 HE1 MET 17 -0.619 -4.222 -4.444 140 HE2 MET 17 HE2 MET 17 -0.618 -4.479 -2.704 141 HE3 MET 17 HE3 MET 17 -0.553 -2.840 -3.344 142 H ILE 18 HN ILE 18 -0.514 1.434 -2.410 143 HA ILE 18 HA ILE 18 -2.467 3.622 -2.976 144 HB ILE 18 HB ILE 18 -0.068 4.900 -2.797 145 HG12 ILE 18 HG12 ILE 18 0.016 2.690 -0.738 146 HG13 ILE 18 HG11 ILE 18 1.015 2.754 -2.190 147 HG21 ILE 18 HG21 ILE 18 -0.768 5.559 -0.527 148 HG22 ILE 18 HG22 ILE 18 -1.840 4.162 -0.437 149 HG23 ILE 18 HG23 ILE 18 -2.184 5.466 -1.572 150 HD11 ILE 18 HD11 ILE 18 1.206 5.289 -0.891 151 HD12 ILE 18 HD12 ILE 18 2.480 4.093 -1.128 152 HD13 ILE 18 HD13 ILE 18 1.475 4.039 0.321 153 HA PRO 19 HA PRO 19 -1.990 5.729 -3.852 154 HB2 PRO 19 HB2 PRO 19 -2.852 7.071 -6.021 155 HB3 PRO 19 HB1 PRO 19 -1.147 7.097 -5.526 156 HG2 PRO 19 HG2 PRO 19 -2.463 5.558 -7.702 157 HG3 PRO 19 HG1 PRO 19 -0.870 6.332 -7.668 158 HD2 PRO 19 HD2 PRO 19 -1.315 3.612 -7.266 159 HD3 PRO 19 HD1 PRO 19 0.129 4.492 -6.748 160 H CYS 20 HN CYS 20 -3.245 3.168 -5.592 161 HA CYS 20 HA CYS 20 -5.909 3.861 -6.177 162 HB2 CYS 20 HB2 CYS 20 -4.563 1.603 -6.474 163 HB3 CYS 20 HB1 CYS 20 -5.300 1.204 -4.923 164 H LYS 21 HN LYS 21 -4.371 3.152 -3.102 165 HA LYS 21 HA LYS 21 -5.145 3.511 -0.918 166 HB2 LYS 21 HB2 LYS 21 -6.484 5.427 -2.419 167 HB3 LYS 21 HB1 LYS 21 -7.798 4.546 -1.638 168 HG2 LYS 21 HG2 LYS 21 -6.550 4.807 0.545 169 HG3 LYS 21 HG1 LYS 21 -5.438 5.887 -0.297 170 HD2 LYS 21 HD2 LYS 21 -8.000 6.796 -0.996 171 HD3 LYS 21 HD1 LYS 21 -8.095 6.441 0.730 172 HE2 LYS 21 HE2 LYS 21 -7.344 8.760 0.353 173 HE3 LYS 21 HE1 LYS 21 -6.077 7.805 1.124 174 HZ1 LYS 21 HZ1 LYS 21 -5.771 7.482 -1.611 175 HZ2 LYS 21 HZ2 LYS 21 -4.757 8.340 -0.551 176 HZ3 LYS 21 HZ3 LYS 21 -6.018 9.141 -1.360 177 H HIS 22 HN HIS 22 -5.781 1.208 -2.730 178 HA HIS 22 HA HIS 22 -8.394 0.293 -1.720 179 HB2 HIS 22 HB2 HIS 22 -6.554 -0.486 -3.876 180 HB3 HIS 22 HB1 HIS 22 -7.281 -1.855 -3.037 181 HD2 HIS 22 HD2 HIS 22 -10.317 -0.820 -2.583 182 HE1 HIS 22 HE1 HIS 22 -10.336 0.136 -6.695 183 HE2 HIS 22 HE2 HIS 22 -11.794 -0.267 -4.660 184 H VAL 23 HN VAL 23 -8.233 -2.250 -1.046 185 HA VAL 23 HA VAL 23 -5.861 -2.664 0.667 186 HB VAL 23 HB VAL 23 -6.978 -2.779 2.698 187 HG11 VAL 23 HG11 VAL 23 -8.557 -0.711 1.142 188 HG12 VAL 23 HG12 VAL 23 -6.957 -0.455 1.839 189 HG13 VAL 23 HG13 VAL 23 -8.339 -0.754 2.887 190 HG21 VAL 23 HG21 VAL 23 -8.742 -4.276 2.292 191 HG22 VAL 23 HG22 VAL 23 -9.411 -3.284 0.996 192 HG23 VAL 23 HG23 VAL 23 -9.586 -2.776 2.675 193 H PHE 24 HN PHE 24 -5.543 -4.834 1.291 194 HA PHE 24 HA PHE 24 -7.480 -6.905 0.549 195 HB2 PHE 24 HB2 PHE 24 -4.783 -6.955 -0.827 196 HB3 PHE 24 HB1 PHE 24 -6.154 -8.030 -1.104 197 HD1 PHE 24 HD1 PHE 24 -8.264 -7.105 -2.145 198 HD2 PHE 24 HD2 PHE 24 -4.613 -4.870 -1.915 199 HE1 PHE 24 HE1 PHE 24 -9.104 -5.559 -3.893 200 HE2 PHE 24 HE2 PHE 24 -5.445 -3.319 -3.662 201 HZ PHE 24 HZ PHE 24 -7.692 -3.665 -4.655 202 H CYS 25 HN CYS 25 -6.425 -9.149 1.085 203 HA CYS 25 HA CYS 25 -5.391 -9.059 3.716 204 HB2 CYS 25 HB2 CYS 25 -4.250 -11.367 2.591 205 HB3 CYS 25 HB1 CYS 25 -5.787 -11.269 3.447 206 H TYR 26 HN TYR 26 -3.537 -8.080 4.338 207 HA TYR 26 HA TYR 26 -1.476 -7.236 2.637 208 HB2 TYR 26 HB2 TYR 26 -1.815 -6.499 5.011 209 HB3 TYR 26 HB1 TYR 26 -1.169 -8.049 5.532 210 HD1 TYR 26 HD1 TYR 26 -0.127 -5.461 2.956 211 HD2 TYR 26 HD2 TYR 26 0.996 -7.891 6.325 212 HE1 TYR 26 HE1 TYR 26 2.169 -4.567 2.839 213 HE2 TYR 26 HE2 TYR 26 3.297 -6.992 6.195 214 HH TYR 26 HH TYR 26 4.741 -5.922 4.124 215 H ASP 27 HN ASP 27 -2.211 -10.410 3.628 216 HA ASP 27 HA ASP 27 0.478 -11.479 3.399 217 HB2 ASP 27 HB2 ASP 27 -2.285 -12.679 3.485 218 HB3 ASP 27 HB1 ASP 27 -0.897 -13.680 3.058 219 H CYS 28 HN CYS 28 -2.319 -11.153 1.270 220 HA CYS 28 HA CYS 28 -0.874 -12.356 -0.967 221 HB2 CYS 28 HB2 CYS 28 -2.867 -12.158 -2.180 222 HB3 CYS 28 HB1 CYS 28 -3.476 -12.288 -0.530 223 H ALA 29 HN ALA 29 -1.459 -9.186 0.355 224 HA ALA 29 HA ALA 29 -0.727 -7.685 -1.972 225 HB1 ALA 29 HB1 ALA 29 -1.828 -6.980 0.344 226 HB2 ALA 29 HB2 ALA 29 -0.866 -5.827 -0.574 227 HB3 ALA 29 HB3 ALA 29 -0.149 -6.683 0.792 228 H ILE 30 HN ILE 30 1.123 -9.145 0.686 229 HA ILE 30 HA ILE 30 3.603 -7.941 -0.270 230 HB ILE 30 HB ILE 30 4.687 -9.226 1.471 231 HG12 ILE 30 HG12 ILE 30 2.028 -10.576 1.960 232 HG13 ILE 30 HG11 ILE 30 3.368 -11.357 1.134 233 HG21 ILE 30 HG21 ILE 30 3.891 -7.579 2.765 234 HG22 ILE 30 HG22 ILE 30 2.603 -8.676 3.247 235 HG23 ILE 30 HG23 ILE 30 2.353 -7.561 1.910 236 HD11 ILE 30 HD11 ILE 30 3.297 -10.376 3.991 237 HD12 ILE 30 HD12 ILE 30 4.783 -10.860 3.174 238 HD13 ILE 30 HD13 ILE 30 3.494 -12.036 3.428 239 H LEU 31 HN LEU 31 1.890 -11.016 -0.617 240 HA LEU 31 HA LEU 31 4.076 -12.416 -1.878 241 HB2 LEU 31 HB2 LEU 31 1.080 -12.736 -2.066 242 HB3 LEU 31 HB1 LEU 31 2.178 -13.771 -2.963 243 HG LEU 31 HG LEU 31 2.304 -13.380 0.042 244 HD11 LEU 31 HD11 LEU 31 0.684 -15.188 -1.665 245 HD12 LEU 31 HD12 LEU 31 0.370 -14.596 -0.032 246 HD13 LEU 31 HD13 LEU 31 1.487 -15.938 -0.284 247 HD21 LEU 31 HD21 LEU 31 3.977 -14.750 -1.938 248 HD22 LEU 31 HD22 LEU 31 3.427 -15.828 -0.658 249 HD23 LEU 31 HD23 LEU 31 4.320 -14.364 -0.253 250 H HIS 32 HN HIS 32 1.859 -9.951 -2.954 251 HA HIS 32 HA HIS 32 2.403 -10.416 -5.793 252 HB2 HIS 32 HB2 HIS 32 0.784 -8.506 -4.187 253 HB3 HIS 32 HB1 HIS 32 1.368 -7.921 -5.746 254 HD1 HIS 32 HD1 HIS 32 0.726 -9.431 -7.873 255 HD2 HIS 32 HD2 HIS 32 -1.341 -10.314 -4.359 256 HE1 HIS 32 HE1 HIS 32 -1.271 -10.839 -8.548 257 HE2 HIS 32 HE2 HIS 32 -2.534 -11.382 -6.417 258 H GLU 33 HN GLU 33 3.448 -8.177 -3.255 259 HA GLU 33 HA GLU 33 5.219 -6.706 -5.040 260 HB2 GLU 33 HB2 GLU 33 4.340 -6.522 -2.290 261 HB3 GLU 33 HB1 GLU 33 6.095 -6.367 -2.381 262 HG2 GLU 33 HG2 GLU 33 4.202 -4.814 -4.163 263 HG3 GLU 33 HG1 GLU 33 4.826 -4.193 -2.635 264 H LYS 34 HN LYS 34 5.442 -9.613 -3.151 265 HA LYS 34 HA LYS 34 8.366 -9.645 -3.121 266 HB2 LYS 34 HB2 LYS 34 6.244 -11.686 -2.420 267 HB3 LYS 34 HB1 LYS 34 7.966 -12.064 -2.379 268 HG2 LYS 34 HG2 LYS 34 8.388 -10.475 -0.668 269 HG3 LYS 34 HG1 LYS 34 6.831 -9.681 -0.912 270 HD2 LYS 34 HD2 LYS 34 5.704 -11.217 0.343 271 HD3 LYS 34 HD1 LYS 34 6.685 -12.560 -0.244 272 HE2 LYS 34 HE2 LYS 34 8.481 -12.013 1.258 273 HE3 LYS 34 HE1 LYS 34 7.720 -10.485 1.702 274 HZ1 LYS 34 HZ1 LYS 34 5.935 -12.640 2.123 275 HZ2 LYS 34 HZ2 LYS 34 6.525 -11.506 3.240 276 HZ3 LYS 34 HZ3 LYS 34 7.394 -12.934 2.936 277 H LYS 35 HN LYS 35 5.740 -11.037 -5.014 278 HA LYS 35 HA LYS 35 7.519 -12.652 -6.653 279 HB2 LYS 35 HB2 LYS 35 4.599 -11.970 -6.689 280 HB3 LYS 35 HB1 LYS 35 5.334 -12.662 -8.135 281 HG2 LYS 35 HG2 LYS 35 6.027 -14.626 -6.953 282 HG3 LYS 35 HG1 LYS 35 5.641 -13.901 -5.392 283 HD2 LYS 35 HD2 LYS 35 3.887 -15.497 -6.100 284 HD3 LYS 35 HD1 LYS 35 3.254 -13.854 -5.989 285 HE2 LYS 35 HE2 LYS 35 4.358 -14.811 -8.608 286 HE3 LYS 35 HE1 LYS 35 2.743 -15.325 -8.122 287 HZ1 LYS 35 HZ1 LYS 35 2.785 -12.659 -7.569 288 HZ2 LYS 35 HZ2 LYS 35 2.062 -13.383 -8.925 289 HZ3 LYS 35 HZ3 LYS 35 3.640 -12.764 -9.030 290 H GLY 36 HN GLY 36 6.744 -9.361 -6.531 291 HA2 GLY 36 HA2 GLY 36 7.724 -7.678 -7.915 292 HA3 GLY 36 HA1 GLY 36 8.112 -8.918 -9.107 293 H ASP 37 HN ASP 37 4.915 -8.561 -7.685 294 HA ASP 37 HA ASP 37 3.817 -8.146 -10.383 295 HB2 ASP 37 HB2 ASP 37 2.886 -9.337 -7.946 296 HB3 ASP 37 HB1 ASP 37 1.769 -8.054 -8.410 297 H LYS 38 HN LYS 38 3.973 -6.472 -7.263 298 HA LYS 38 HA LYS 38 3.360 -4.288 -6.673 299 HB2 LYS 38 HB2 LYS 38 4.338 -3.414 -9.347 300 HB3 LYS 38 HB1 LYS 38 4.720 -2.776 -7.747 301 HG2 LYS 38 HG2 LYS 38 5.931 -4.975 -7.307 302 HG3 LYS 38 HG1 LYS 38 5.767 -5.301 -9.033 303 HD2 LYS 38 HD2 LYS 38 7.183 -2.941 -7.764 304 HD3 LYS 38 HD1 LYS 38 7.931 -4.268 -8.654 305 HE2 LYS 38 HE2 LYS 38 6.362 -3.551 -10.600 306 HE3 LYS 38 HE1 LYS 38 6.202 -2.039 -9.706 307 HZ1 LYS 38 HZ1 LYS 38 8.037 -2.139 -11.408 308 HZ2 LYS 38 HZ2 LYS 38 8.833 -3.223 -10.370 309 HZ3 LYS 38 HZ3 LYS 38 8.497 -1.639 -9.853 310 H MET 39 HN MET 39 1.382 -5.866 -8.363 311 HA MET 39 HA MET 39 -0.080 -3.568 -9.573 312 HB2 MET 39 HB2 MET 39 -1.088 -5.053 -11.093 313 HB3 MET 39 HB1 MET 39 0.570 -5.644 -10.986 314 HG2 MET 39 HG2 MET 39 -0.294 -7.178 -9.099 315 HG3 MET 39 HG1 MET 39 -1.908 -6.782 -9.691 316 HE1 MET 39 HE1 MET 39 -2.406 -9.070 -9.944 317 HE2 MET 39 HE2 MET 39 -2.201 -9.928 -11.470 318 HE3 MET 39 HE3 MET 39 -3.054 -8.386 -11.442 319 H CYS 40 HN CYS 40 -2.072 -3.045 -8.726 320 HA CYS 40 HA CYS 40 -2.879 -4.059 -6.179 321 HB2 CYS 40 HB2 CYS 40 -3.571 -1.854 -6.843 322 HB3 CYS 40 HB1 CYS 40 -4.363 -2.479 -8.289 323 HA PRO 41 HA PRO 41 -4.598 -7.924 -7.960 324 HB2 PRO 41 HB2 PRO 41 -5.861 -8.176 -5.285 325 HB3 PRO 41 HB1 PRO 41 -4.849 -9.332 -6.169 326 HG2 PRO 41 HG2 PRO 41 -3.958 -7.953 -4.049 327 HG3 PRO 41 HG1 PRO 41 -2.911 -8.441 -5.390 328 HD2 PRO 41 HD2 PRO 41 -3.976 -5.749 -4.721 329 HD3 PRO 41 HD1 PRO 41 -2.473 -6.200 -5.554 330 H GLY 42 HN GLY 42 -6.206 -5.188 -6.675 331 HA2 GLY 42 HA2 GLY 42 -8.896 -6.225 -7.403 332 HA3 GLY 42 HA1 GLY 42 -8.574 -4.719 -6.545 333 H CYS 43 HN CYS 43 -7.022 -3.225 -8.024 334 HA CYS 43 HA CYS 43 -8.565 -2.851 -10.508 335 HB2 CYS 43 HB2 CYS 43 -6.360 -1.038 -9.555 336 HB3 CYS 43 HB1 CYS 43 -7.781 -0.633 -10.517 337 H SER 44 HN SER 44 -5.419 -3.883 -9.459 338 HA SER 44 HA SER 44 -3.710 -4.908 -10.716 339 HB2 SER 44 HB2 SER 44 -5.872 -5.384 -12.264 340 HB3 SER 44 HB1 SER 44 -4.982 -4.307 -13.335 341 HG SER 44 HG SER 44 -4.014 -6.149 -13.788 342 H ASP 45 HN ASP 45 -3.645 -2.168 -9.983 343 HA ASP 45 HA ASP 45 -2.259 -0.926 -12.313 344 HB2 ASP 45 HB2 ASP 45 -4.087 0.134 -10.265 345 HB3 ASP 45 HB1 ASP 45 -2.638 1.112 -10.507 346 HA PRO 46 HA PRO 46 1.618 -1.117 -10.240 347 HB2 PRO 46 HB2 PRO 46 2.429 1.574 -10.403 348 HB3 PRO 46 HB1 PRO 46 2.725 0.315 -11.614 349 HG2 PRO 46 HG2 PRO 46 0.670 2.441 -11.561 350 HG3 PRO 46 HG1 PRO 46 1.488 1.687 -12.939 351 HD2 PRO 46 HD2 PRO 46 -1.084 1.103 -12.295 352 HD3 PRO 46 HD1 PRO 46 0.008 -0.103 -13.015 353 H VAL 47 HN VAL 47 1.016 -1.510 -8.057 354 HA VAL 47 HA VAL 47 0.023 0.574 -6.320 355 HB VAL 47 HB VAL 47 0.239 -0.995 -4.548 356 HG11 VAL 47 HG11 VAL 47 -0.982 -1.616 -7.025 357 HG12 VAL 47 HG12 VAL 47 -1.405 -2.249 -5.446 358 HG13 VAL 47 HG13 VAL 47 -0.247 -3.111 -6.454 359 HG21 VAL 47 HG21 VAL 47 1.483 -3.229 -5.175 360 HG22 VAL 47 HG22 VAL 47 2.413 -1.841 -4.615 361 HG23 VAL 47 HG23 VAL 47 2.325 -2.207 -6.339 362 H GLN 48 HN GLN 48 1.266 2.320 -5.821 363 HA GLN 48 HA GLN 48 4.043 2.532 -6.199 364 HB2 GLN 48 HB2 GLN 48 2.143 4.040 -4.404 365 HB3 GLN 48 HB1 GLN 48 3.855 4.451 -4.498 366 HG2 GLN 48 HG2 GLN 48 2.357 4.120 -7.060 367 HG3 GLN 48 HG1 GLN 48 2.066 5.586 -6.121 368 HE21 GLN 48 HE21 GLN 48 3.161 6.313 -8.354 369 HE22 GLN 48 HE22 GLN 48 4.839 6.525 -8.277 370 H ARG 49 HN ARG 49 2.282 2.003 -3.141 371 HA ARG 49 HA ARG 49 4.419 0.216 -2.299 372 HB2 ARG 49 HB2 ARG 49 5.670 1.711 -1.185 373 HB3 ARG 49 HB1 ARG 49 4.538 2.996 -1.588 374 HG2 ARG 49 HG2 ARG 49 3.169 2.435 0.376 375 HG3 ARG 49 HG1 ARG 49 4.255 1.096 0.764 376 HD2 ARG 49 HD2 ARG 49 4.992 4.034 0.681 377 HD3 ARG 49 HD1 ARG 49 4.825 3.040 2.128 378 HE ARG 49 HE ARG 49 7.124 3.080 0.348 379 HH11 ARG 49 HH21 ARG 49 5.182 1.206 2.494 380 HH12 ARG 49 HH22 ARG 49 6.462 0.116 2.913 381 HH21 ARG 49 HH11 ARG 49 8.805 1.668 0.883 382 HH22 ARG 49 HH12 ARG 49 8.513 0.378 2.001 383 H ILE 50 HN ILE 50 3.618 -1.288 -0.919 384 HA ILE 50 HA ILE 50 0.795 -1.026 -0.176 385 HB ILE 50 HB ILE 50 2.499 -3.339 0.670 386 HG12 ILE 50 HG12 ILE 50 1.448 -2.881 -2.136 387 HG13 ILE 50 HG11 ILE 50 3.141 -2.909 -1.667 388 HG21 ILE 50 HG21 ILE 50 0.503 -4.456 0.781 389 HG22 ILE 50 HG22 ILE 50 -0.182 -3.588 -0.588 390 HG23 ILE 50 HG23 ILE 50 -0.113 -2.821 0.996 391 HD11 ILE 50 HD11 ILE 50 2.876 -5.247 -0.880 392 HD12 ILE 50 HD12 ILE 50 2.511 -5.083 -2.597 393 HD13 ILE 50 HD13 ILE 50 1.203 -5.224 -1.431 394 H GLU 51 HN GLU 51 0.062 -1.015 1.922 395 HA GLU 51 HA GLU 51 2.086 -0.882 4.094 396 HB2 GLU 51 HB2 GLU 51 -0.134 1.151 3.821 397 HB3 GLU 51 HB1 GLU 51 1.184 1.153 4.995 398 HG2 GLU 51 HG2 GLU 51 2.807 1.293 3.105 399 HG3 GLU 51 HG1 GLU 51 1.446 1.436 1.992 400 H GLN 52 HN GLN 52 1.238 -1.339 6.180 401 HA GLN 52 HA GLN 52 -1.144 -3.088 6.056 402 HB2 GLN 52 HB2 GLN 52 1.243 -2.856 7.815 403 HB3 GLN 52 HB1 GLN 52 -0.244 -3.437 8.565 404 HG2 GLN 52 HG2 GLN 52 -0.444 -5.199 6.879 405 HG3 GLN 52 HG1 GLN 52 0.992 -4.595 6.050 406 HE21 GLN 52 HE21 GLN 52 0.033 -6.965 8.188 407 HE22 GLN 52 HE22 GLN 52 1.500 -7.211 9.006 408 H CYS 53 HN CYS 53 -3.011 -2.680 7.206 409 HA CYS 53 HA CYS 53 -3.046 -0.362 9.061 410 HB2 CYS 53 HB2 CYS 53 -4.554 -0.654 6.507 411 HB3 CYS 53 HB1 CYS 53 -5.408 0.055 7.877 412 H THR 54 HN THR 54 -4.916 -0.391 10.512 413 HA THR 54 HA THR 54 -5.668 -3.133 11.213 414 HB THR 54 HB THR 54 -7.102 -1.277 12.804 415 HG1 THR 54 HG1 THR 54 -5.577 0.203 13.331 416 HG21 THR 54 HG21 THR 54 -4.503 -2.760 13.290 417 HG22 THR 54 HG22 THR 54 -6.125 -3.391 13.571 418 HG23 THR 54 HG23 THR 54 -5.518 -2.052 14.547 419 H ARG 55 HN ARG 55 -7.933 -3.762 11.531 420 HA ARG 55 HA ARG 55 -9.573 -3.406 9.308 421 HB2 ARG 55 HB2 ARG 55 -9.967 -5.176 10.955 422 HB3 ARG 55 HB1 ARG 55 -10.430 -3.973 12.158 423 HG2 ARG 55 HG2 ARG 55 -12.403 -3.390 10.980 424 HG3 ARG 55 HG1 ARG 55 -11.853 -4.181 9.503 425 HD2 ARG 55 HD2 ARG 55 -13.612 -5.416 10.959 426 HD3 ARG 55 HD1 ARG 55 -12.227 -6.339 10.374 427 HE ARG 55 HE ARG 55 -11.470 -6.521 12.607 428 HH11 ARG 55 HH21 ARG 55 -13.900 -4.105 12.230 429 HH12 ARG 55 HH22 ARG 55 -14.084 -3.835 13.931 430 HH21 ARG 55 HH11 ARG 55 -11.696 -6.184 14.830 431 HH22 ARG 55 HH12 ARG 55 -12.836 -5.012 15.403 432 H GLY 56 HN GLY 56 -10.580 -2.038 12.440 433 HA2 GLY 56 HA2 GLY 56 -12.200 -0.038 11.137 434 HA3 GLY 56 HA1 GLY 56 -11.821 -0.086 12.859 435 H SER 57 HN SER 57 -9.275 -0.037 10.411 436 HA SER 57 HA SER 57 -8.287 2.467 11.599 437 HB2 SER 57 HB2 SER 57 -6.791 0.517 10.931 438 HB3 SER 57 HB1 SER 57 -7.117 0.949 9.255 439 HG SER 57 HG SER 57 -6.269 3.014 9.706 440 H LEU 58 HN LEU 58 -9.915 1.368 8.728 441 HA LEU 58 HA LEU 58 -9.699 4.090 7.530 442 HB2 LEU 58 HB2 LEU 58 -10.859 1.744 6.073 443 HB3 LEU 58 HB1 LEU 58 -10.000 3.143 5.436 444 HG LEU 58 HG LEU 58 -8.761 0.875 7.023 445 HD11 LEU 58 HD11 LEU 58 -7.611 0.402 4.884 446 HD12 LEU 58 HD12 LEU 58 -8.520 1.702 4.114 447 HD13 LEU 58 HD13 LEU 58 -9.363 0.274 4.714 448 HD21 LEU 58 HD21 LEU 58 -7.831 3.580 6.213 449 HD22 LEU 58 HD22 LEU 58 -6.700 2.260 5.920 450 HD23 LEU 58 HD23 LEU 58 -7.296 2.562 7.550 451 H PHE 59 HN PHE 59 -11.788 4.647 6.233 452 HA PHE 59 HA PHE 59 -14.155 4.004 7.949 453 HB2 PHE 59 HB2 PHE 59 -13.620 6.555 6.406 454 HB3 PHE 59 HB1 PHE 59 -14.994 6.243 7.468 455 HD1 PHE 59 HD2 PHE 59 -11.253 6.358 7.447 456 HD2 PHE 59 HD1 PHE 59 -14.854 6.725 9.762 457 HE1 PHE 59 HE2 PHE 59 -9.922 7.113 9.399 458 HE2 PHE 59 HE1 PHE 59 -13.522 7.482 11.713 459 HZ PHE 59 HZ PHE 59 -11.056 7.676 11.532 460 H MET 60 HN MET 60 -15.631 2.808 6.859 461 HA MET 60 HA MET 60 -15.484 2.566 3.949 462 HB2 MET 60 HB2 MET 60 -17.650 1.453 5.740 463 HB3 MET 60 HB1 MET 60 -17.109 0.838 4.177 464 HG2 MET 60 HG2 MET 60 -14.772 0.808 5.606 465 HG3 MET 60 HG1 MET 60 -15.952 0.431 6.861 466 HE1 MET 60 HE1 MET 60 -14.056 -1.397 3.634 467 HE2 MET 60 HE2 MET 60 -15.000 0.071 3.390 468 HE3 MET 60 HE3 MET 60 -15.613 -1.469 2.797 469 H CYS 61 HN CYS 61 -16.997 3.315 2.461 470 HA CYS 61 HA CYS 61 -18.836 5.443 3.463 471 HB2 CYS 61 HB2 CYS 61 -17.373 6.346 1.826 472 HB3 CYS 61 HB1 CYS 61 -17.519 4.923 0.795 473 H SER 62 HN SER 62 -20.751 4.381 3.933 474 HA SER 62 HA SER 62 -21.779 2.319 2.098 475 HB2 SER 62 HB2 SER 62 -22.040 2.138 4.588 476 HB3 SER 62 HB1 SER 62 -23.098 3.545 4.538 477 HG SER 62 HG SER 62 -23.486 1.136 3.080 478 H ILE 63 HN ILE 63 -22.182 5.716 2.711 479 HA ILE 63 HA ILE 63 -24.731 6.309 1.812 480 HB ILE 63 HB ILE 63 -22.101 7.691 1.255 481 HG12 ILE 63 HG12 ILE 63 -24.419 8.434 3.061 482 HG13 ILE 63 HG11 ILE 63 -23.026 7.503 3.604 483 HG21 ILE 63 HG21 ILE 63 -23.494 8.454 -0.523 484 HG22 ILE 63 HG22 ILE 63 -23.631 9.689 0.727 485 HG23 ILE 63 HG23 ILE 63 -24.919 8.504 0.515 486 HD11 ILE 63 HD11 ILE 63 -21.728 9.344 3.739 487 HD12 ILE 63 HD12 ILE 63 -23.212 10.280 3.560 488 HD13 ILE 63 HD13 ILE 63 -22.236 9.898 2.147 489 H VAL 64 HN VAL 64 -25.832 6.029 -0.072 490 HA VAL 64 HA VAL 64 -26.272 5.284 -2.255 491 HB VAL 64 HB VAL 64 -23.606 6.639 -2.760 492 HG11 VAL 64 HG11 VAL 64 -25.821 5.646 -4.550 493 HG12 VAL 64 HG12 VAL 64 -24.085 5.365 -4.690 494 HG13 VAL 64 HG13 VAL 64 -24.754 6.955 -5.062 495 HG21 VAL 64 HG21 VAL 64 -25.590 7.935 -1.659 496 HG22 VAL 64 HG22 VAL 64 -26.338 7.812 -3.251 497 HG23 VAL 64 HG23 VAL 64 -24.796 8.647 -3.064 498 H GLN 65 HN GLN 65 -26.122 3.033 -2.007 499 HA GLN 65 HA GLN 65 -23.835 1.471 -1.631 500 HB2 GLN 65 HB2 GLN 65 -26.353 0.926 -3.219 501 HB3 GLN 65 HB1 GLN 65 -25.105 -0.298 -2.985 502 HG2 GLN 65 HG2 GLN 65 -26.366 1.200 -0.680 503 HG3 GLN 65 HG1 GLN 65 -27.006 -0.328 -1.284 504 HE21 GLN 65 HE21 GLN 65 -25.780 -2.272 -0.870 505 HE22 GLN 65 HE22 GLN 65 -24.431 -2.288 0.161 506 H GLY 66 HN GLY 66 -22.950 -0.061 -3.482 507 HA2 GLY 66 HA2 GLY 66 -22.062 -0.274 -5.696 508 HA3 GLY 66 HA1 GLY 66 -22.642 1.353 -6.058 509 H CYS 67 HN CYS 67 -21.517 2.834 -4.012 510 HA CYS 67 HA CYS 67 -18.685 2.809 -4.823 511 HB2 CYS 67 HB2 CYS 67 -18.791 5.024 -4.416 512 HB3 CYS 67 HB1 CYS 67 -20.511 4.813 -4.088 513 H LYS 68 HN LYS 68 -16.987 3.024 -3.114 514 HA LYS 68 HA LYS 68 -17.507 2.265 -0.390 515 HB2 LYS 68 HB2 LYS 68 -17.870 0.098 -1.861 516 HB3 LYS 68 HB1 LYS 68 -16.106 0.065 -1.875 517 HG2 LYS 68 HG2 LYS 68 -16.122 0.203 0.618 518 HG3 LYS 68 HG1 LYS 68 -17.883 0.100 0.581 519 HD2 LYS 68 HD2 LYS 68 -16.975 -2.011 -1.045 520 HD3 LYS 68 HD1 LYS 68 -15.935 -2.031 0.379 521 HE2 LYS 68 HE2 LYS 68 -17.952 -3.403 0.747 522 HE3 LYS 68 HE1 LYS 68 -17.926 -2.016 1.837 523 HZ1 LYS 68 HZ1 LYS 68 -19.251 -1.735 -0.763 524 HZ2 LYS 68 HZ2 LYS 68 -19.601 -0.980 0.719 525 HZ3 LYS 68 HZ3 LYS 68 -20.051 -2.598 0.460 526 H ARG 69 HN ARG 69 -15.969 4.262 -1.700 527 HA ARG 69 HA ARG 69 -13.168 3.435 -1.713 528 HB2 ARG 69 HB2 ARG 69 -14.427 6.196 -1.752 529 HB3 ARG 69 HB1 ARG 69 -12.718 5.855 -2.030 530 HG2 ARG 69 HG2 ARG 69 -13.567 4.236 -3.878 531 HG3 ARG 69 HG1 ARG 69 -15.084 5.127 -3.750 532 HD2 ARG 69 HD2 ARG 69 -13.516 7.238 -3.946 533 HD3 ARG 69 HD1 ARG 69 -12.396 6.087 -4.675 534 HE ARG 69 HE ARG 69 -14.810 5.652 -5.996 535 HH11 ARG 69 HH21 ARG 69 -12.702 8.303 -5.354 536 HH12 ARG 69 HH22 ARG 69 -13.080 9.132 -6.828 537 HH21 ARG 69 HH11 ARG 69 -15.315 6.718 -7.923 538 HH22 ARG 69 HH12 ARG 69 -14.560 8.235 -8.282 539 H THR 70 HN THR 70 -12.191 2.961 0.202 540 HA THR 70 HA THR 70 -13.143 4.086 2.716 541 HB THR 70 HB THR 70 -10.644 2.993 3.222 542 HG1 THR 70 HG1 THR 70 -11.908 1.759 1.019 543 HG21 THR 70 HG21 THR 70 -12.561 2.505 4.565 544 HG22 THR 70 HG22 THR 70 -12.005 0.968 3.904 545 HG23 THR 70 HG23 THR 70 -13.407 1.775 3.202 546 H TYR 71 HN TYR 71 -11.309 4.999 4.225 547 HA TYR 71 HA TYR 71 -9.294 6.607 2.863 548 HB2 TYR 71 HB2 TYR 71 -11.692 7.898 4.190 549 HB3 TYR 71 HB1 TYR 71 -10.205 8.764 3.801 550 HD1 TYR 71 HD1 TYR 71 -9.438 8.923 1.414 551 HD2 TYR 71 HD2 TYR 71 -13.281 7.334 2.491 552 HE1 TYR 71 HE1 TYR 71 -10.209 9.200 -0.925 553 HE2 TYR 71 HE2 TYR 71 -14.052 7.614 0.152 554 HH TYR 71 HH TYR 71 -11.834 8.614 -2.405 555 H LEU 72 HN LEU 72 -8.610 8.328 4.862 556 HA LEU 72 HA LEU 72 -8.179 6.537 7.212 557 HB2 LEU 72 HB2 LEU 72 -6.229 8.675 6.961 558 HB3 LEU 72 HB1 LEU 72 -5.964 6.939 7.096 559 HG LEU 72 HG LEU 72 -6.691 8.398 4.534 560 HD11 LEU 72 HD11 LEU 72 -4.180 7.107 4.371 561 HD12 LEU 72 HD12 LEU 72 -4.178 8.002 5.890 562 HD13 LEU 72 HD13 LEU 72 -4.494 8.842 4.372 563 HD21 LEU 72 HD21 LEU 72 -6.907 5.653 5.291 564 HD22 LEU 72 HD22 LEU 72 -5.538 5.786 4.188 565 HD23 LEU 72 HD23 LEU 72 -7.130 6.350 3.687 566 H SER 73 HN SER 73 -9.680 9.352 6.187 567 HA SER 73 HA SER 73 -10.028 10.197 9.000 568 HB2 SER 73 HB2 SER 73 -8.681 11.833 6.878 569 HB3 SER 73 HB1 SER 73 -9.687 12.649 8.071 570 HG SER 73 HG SER 73 -7.230 11.959 8.387 571 H GLN 74 HN GLN 74 -12.147 10.723 9.315 572 HA GLN 74 HA GLN 74 -14.154 10.396 7.424 573 HB2 GLN 74 HB2 GLN 74 -14.137 12.339 9.748 574 HB3 GLN 74 HB1 GLN 74 -15.581 11.803 8.885 575 HG2 GLN 74 HG2 GLN 74 -13.690 9.762 10.006 576 HG3 GLN 74 HG1 GLN 74 -14.845 10.555 11.077 577 HE21 GLN 74 HE21 GLN 74 -14.687 8.717 7.994 578 HE22 GLN 74 HE22 GLN 74 -16.242 8.054 8.133 579 H ARG 75 HN ARG 75 -11.991 13.077 7.827 580 HA ARG 75 HA ARG 75 -13.495 15.046 6.364 581 HB2 ARG 75 HB2 ARG 75 -11.513 15.506 7.853 582 HB3 ARG 75 HB1 ARG 75 -10.483 14.787 6.617 583 HG2 ARG 75 HG2 ARG 75 -12.008 16.580 5.166 584 HG3 ARG 75 HG1 ARG 75 -11.743 17.431 6.685 585 HD2 ARG 75 HD2 ARG 75 -9.281 16.833 6.457 586 HD3 ARG 75 HD1 ARG 75 -9.650 16.302 4.817 587 HE ARG 75 HE ARG 75 -10.589 19.005 5.362 588 HH11 ARG 75 HH21 ARG 75 -7.939 16.993 4.461 589 HH12 ARG 75 HH22 ARG 75 -7.109 18.246 3.599 590 HH21 ARG 75 HH11 ARG 75 -9.522 20.651 4.240 591 HH22 ARG 75 HH12 ARG 75 -8.006 20.316 3.474 592 H ASP 76 HN ASP 76 -11.305 12.459 5.466 593 HA ASP 76 HA ASP 76 -11.136 13.297 2.672 594 HB2 ASP 76 HB2 ASP 76 -10.074 11.046 4.322 595 HB3 ASP 76 HB1 ASP 76 -10.205 10.800 2.581 596 H LEU 77 HN LEU 77 -12.907 10.972 4.627 597 HA LEU 77 HA LEU 77 -14.206 9.723 2.353 598 HB2 LEU 77 HB2 LEU 77 -13.955 8.470 4.422 599 HB3 LEU 77 HB1 LEU 77 -14.785 9.733 5.322 600 HG LEU 77 HG LEU 77 -16.335 8.757 3.040 601 HD11 LEU 77 HD11 LEU 77 -15.212 6.654 3.645 602 HD12 LEU 77 HD12 LEU 77 -16.911 6.604 4.113 603 HD13 LEU 77 HD13 LEU 77 -15.671 6.888 5.330 604 HD21 LEU 77 HD21 LEU 77 -16.979 8.801 6.000 605 HD22 LEU 77 HD22 LEU 77 -18.112 8.878 4.651 606 HD23 LEU 77 HD23 LEU 77 -17.051 10.245 4.991 607 H GLN 78 HN GLN 78 -14.810 12.366 4.593 608 HA GLN 78 HA GLN 78 -17.532 12.780 3.767 609 HB2 GLN 78 HB2 GLN 78 -16.633 13.749 5.878 610 HB3 GLN 78 HB1 GLN 78 -15.555 14.770 4.927 611 HG2 GLN 78 HG2 GLN 78 -17.542 16.043 5.584 612 HG3 GLN 78 HG1 GLN 78 -17.540 15.807 3.837 613 HE21 GLN 78 HE21 GLN 78 -19.108 14.286 2.929 614 HE22 GLN 78 HE22 GLN 78 -20.429 13.733 3.842 615 H ALA 79 HN ALA 79 -14.377 13.729 2.700 616 HA ALA 79 HA ALA 79 -15.310 15.634 0.731 617 HB1 ALA 79 HB1 ALA 79 -13.090 16.057 0.822 618 HB2 ALA 79 HB2 ALA 79 -12.867 14.611 -0.163 619 HB3 ALA 79 HB3 ALA 79 -12.771 14.506 1.591 620 H HIS 80 HN HIS 80 -15.131 12.176 0.986 621 HA HIS 80 HA HIS 80 -15.118 11.747 -1.906 622 HB2 HIS 80 HB2 HIS 80 -14.336 9.928 -0.542 623 HB3 HIS 80 HB1 HIS 80 -15.831 9.906 0.384 624 HD1 HIS 80 HD1 HIS 80 -14.359 8.825 -2.871 625 HD2 HIS 80 HD2 HIS 80 -18.079 8.801 -1.000 626 HE1 HIS 80 HE1 HIS 80 -15.840 7.295 -4.244 627 H ILE 81 HN ILE 81 -17.574 11.982 0.596 628 HA ILE 81 HA ILE 81 -19.828 11.255 -0.983 629 HB ILE 81 HB ILE 81 -19.982 13.390 1.110 630 HG12 ILE 81 HG12 ILE 81 -18.520 11.723 2.027 631 HG13 ILE 81 HG11 ILE 81 -20.084 11.591 2.817 632 HG21 ILE 81 HG21 ILE 81 -22.053 12.862 0.002 633 HG22 ILE 81 HG22 ILE 81 -22.115 12.170 1.621 634 HG23 ILE 81 HG23 ILE 81 -21.798 11.133 0.230 635 HD11 ILE 81 HD11 ILE 81 -19.852 9.372 2.338 636 HD12 ILE 81 HD12 ILE 81 -18.678 9.672 1.063 637 HD13 ILE 81 HD13 ILE 81 -20.398 9.844 0.731 638 H ASN 82 HN ASN 82 -18.556 14.484 -0.204 639 HA ASN 82 HA ASN 82 -20.432 15.746 -2.008 640 HB2 ASN 82 HB2 ASN 82 -18.863 17.743 -1.727 641 HB3 ASN 82 HB1 ASN 82 -19.626 17.124 -0.263 642 HD21 ASN 82 HD21 ASN 82 -18.015 17.526 1.288 643 HD22 ASN 82 HD22 ASN 82 -16.435 16.923 1.188 644 H HIS 83 HN HIS 83 -17.400 14.168 -2.439 645 HA HIS 83 HA HIS 83 -16.876 15.622 -4.933 646 HB2 HIS 83 HB2 HIS 83 -15.454 13.341 -3.579 647 HB3 HIS 83 HB1 HIS 83 -14.985 13.943 -5.163 648 HD1 HIS 83 HD1 HIS 83 -12.745 14.482 -3.534 649 HD2 HIS 83 HD2 HIS 83 -16.086 16.954 -3.183 650 HE1 HIS 83 HE1 HIS 83 -11.940 16.626 -2.447 651 HE2 HIS 83 HE2 HIS 83 -13.966 18.138 -2.230 652 H ARG 84 HN ARG 84 -18.408 12.581 -4.018 653 HA ARG 84 HA ARG 84 -18.816 12.068 -6.931 654 HB2 ARG 84 HB2 ARG 84 -18.631 9.752 -5.053 655 HB3 ARG 84 HB1 ARG 84 -18.277 9.824 -6.770 656 HG2 ARG 84 HG2 ARG 84 -16.579 11.211 -4.660 657 HG3 ARG 84 HG1 ARG 84 -16.244 9.602 -5.280 658 HD2 ARG 84 HD2 ARG 84 -16.687 11.325 -7.524 659 HD3 ARG 84 HD1 ARG 84 -15.529 12.100 -6.449 660 HE ARG 84 HE ARG 84 -14.664 9.455 -6.647 661 HH11 ARG 84 HH21 ARG 84 -15.375 12.089 -8.755 662 HH12 ARG 84 HH22 ARG 84 -14.202 11.628 -9.944 663 HH21 ARG 84 HH11 ARG 84 -13.126 8.838 -8.186 664 HH22 ARG 84 HH12 ARG 84 -12.929 9.788 -9.622 665 H HIS 85 HN HIS 85 -20.319 12.372 -3.863 666 HA HIS 85 HA HIS 85 -22.793 11.093 -4.935 667 HB2 HIS 85 HB2 HIS 85 -22.143 11.740 -2.054 668 HB3 HIS 85 HB1 HIS 85 -23.505 10.789 -2.648 669 HD1 HIS 85 HD1 HIS 85 -23.111 8.347 -2.463 670 HD2 HIS 85 HD2 HIS 85 -19.550 10.419 -3.081 671 HE1 HIS 85 HE1 HIS 85 -21.271 6.607 -2.503 672 H MET 86 HN MET 86 -21.595 13.898 -3.135 673 HA MET 86 HA MET 86 -22.594 15.998 -2.778 674 HB2 MET 86 HB2 MET 86 -22.127 15.695 -5.379 675 HB3 MET 86 HB1 MET 86 -23.888 15.765 -5.459 676 HG2 MET 86 HG2 MET 86 -23.621 17.841 -3.892 677 HG3 MET 86 HG1 MET 86 -21.958 17.852 -4.480 678 HE1 MET 86 HE1 MET 86 -22.004 18.769 -8.044 679 HE2 MET 86 HE2 MET 86 -21.353 17.582 -6.917 680 HE3 MET 86 HE3 MET 86 -21.329 19.292 -6.495 681 H ARG 87 HN ARG 87 -24.034 14.175 -1.478 682 HA ARG 87 HA ARG 87 -26.159 14.020 -0.463 683 HB2 ARG 87 HB2 ARG 87 -26.292 16.480 -1.567 684 HB3 ARG 87 HB1 ARG 87 -27.510 15.659 -2.546 685 HG2 ARG 87 HG2 ARG 87 -28.575 14.842 -0.422 686 HG3 ARG 87 HG1 ARG 87 -27.436 15.843 0.478 687 HD2 ARG 87 HD2 ARG 87 -28.493 17.554 -1.471 688 HD3 ARG 87 HD1 ARG 87 -29.876 16.626 -0.894 689 HE ARG 87 HE ARG 87 -28.385 18.603 0.642 690 HH11 ARG 87 HH21 ARG 87 -30.281 15.724 0.704 691 HH12 ARG 87 HH22 ARG 87 -30.844 15.971 2.323 692 HH21 ARG 87 HH11 ARG 87 -29.109 18.942 2.757 693 HH22 ARG 87 HH12 ARG 87 -30.181 17.793 3.485 694 H ALA 88 HN ALA 88 -26.748 11.932 -0.864 695 HA ALA 88 HA ALA 88 -26.990 10.607 -3.294 696 HB1 ALA 88 HB1 ALA 88 -27.226 9.578 -1.005 697 HB2 ALA 88 HB2 ALA 88 -28.417 9.005 -2.173 698 HB3 ALA 88 HB3 ALA 88 -28.877 10.197 -0.958 699 H GLY 89 HN GLY 89 -29.983 11.508 -1.578 700 HA2 GLY 89 HA2 GLY 89 -31.808 12.797 -2.441 701 HA3 GLY 89 HA1 GLY 89 -30.994 12.854 -4.006 Start of MODEL 15 1 H1 VAL 1 HT1 VAL 1 -12.686 -4.498 3.664 2 H2 VAL 1 HT2 VAL 1 -12.246 -3.674 5.083 3 H3 VAL 1 HT3 VAL 1 -13.651 -3.226 4.239 4 HA VAL 1 HA VAL 1 -14.133 -4.529 6.256 5 HB VAL 1 HB VAL 1 -15.144 -6.485 4.502 6 HG11 VAL 1 HG11 VAL 1 -17.211 -5.118 4.671 7 HG12 VAL 1 HG12 VAL 1 -16.259 -3.784 5.321 8 HG13 VAL 1 HG13 VAL 1 -16.408 -5.287 6.233 9 HG21 VAL 1 HG21 VAL 1 -14.093 -5.165 2.657 10 HG22 VAL 1 HG22 VAL 1 -15.031 -3.762 3.166 11 HG23 VAL 1 HG23 VAL 1 -15.853 -5.195 2.550 12 H HIS 2 HN HIS 2 -14.536 -7.204 6.385 13 HA HIS 2 HA HIS 2 -11.769 -8.251 6.565 14 HB2 HIS 2 HB2 HIS 2 -12.808 -10.014 7.987 15 HB3 HIS 2 HB1 HIS 2 -13.048 -8.381 8.611 16 HD1 HIS 2 HD1 HIS 2 -15.143 -9.966 9.733 17 HD2 HIS 2 HD2 HIS 2 -15.474 -8.705 5.770 18 HE1 HIS 2 HE1 HIS 2 -17.601 -10.124 9.133 19 HE2 HIS 2 HE2 HIS 2 -17.813 -9.358 6.724 20 H PHE 3 HN PHE 3 -12.476 -8.219 4.002 21 HA PHE 3 HA PHE 3 -12.642 -11.052 3.298 22 HB2 PHE 3 HB2 PHE 3 -14.973 -9.343 3.179 23 HB3 PHE 3 HB1 PHE 3 -14.521 -9.863 1.557 24 HD1 PHE 3 HD1 PHE 3 -15.630 -10.963 4.891 25 HD2 PHE 3 HD2 PHE 3 -14.528 -12.228 0.937 26 HE1 PHE 3 HE1 PHE 3 -16.591 -13.204 5.340 27 HE2 PHE 3 HE2 PHE 3 -15.490 -14.470 1.386 28 HZ PHE 3 HZ PHE 3 -16.521 -14.958 3.587 29 H CYS 4 HN CYS 4 -10.767 -11.004 2.087 30 HA CYS 4 HA CYS 4 -9.635 -8.900 0.668 31 HB2 CYS 4 HB2 CYS 4 -9.650 -11.658 -0.548 32 HB3 CYS 4 HB1 CYS 4 -8.346 -10.475 -0.517 33 H ASP 5 HN ASP 5 -9.886 -8.071 -1.453 34 HA ASP 5 HA ASP 5 -12.558 -8.520 -2.604 35 HB2 ASP 5 HB2 ASP 5 -10.661 -6.353 -2.539 36 HB3 ASP 5 HB1 ASP 5 -11.065 -6.731 -4.214 37 H LYS 6 HN LYS 6 -9.214 -9.309 -3.237 38 HA LYS 6 HA LYS 6 -9.868 -10.212 -5.976 39 HB2 LYS 6 HB2 LYS 6 -7.799 -9.029 -5.820 40 HB3 LYS 6 HB1 LYS 6 -7.276 -9.982 -4.436 41 HG2 LYS 6 HG2 LYS 6 -7.954 -11.535 -6.873 42 HG3 LYS 6 HG1 LYS 6 -6.534 -10.506 -7.006 43 HD2 LYS 6 HD2 LYS 6 -5.351 -11.680 -5.396 44 HD3 LYS 6 HD1 LYS 6 -6.805 -12.218 -4.558 45 HE2 LYS 6 HE2 LYS 6 -5.738 -14.092 -5.737 46 HE3 LYS 6 HE1 LYS 6 -7.326 -13.743 -6.420 47 HZ1 LYS 6 HZ1 LYS 6 -4.872 -13.779 -7.734 48 HZ2 LYS 6 HZ2 LYS 6 -5.393 -12.162 -7.712 49 HZ3 LYS 6 HZ3 LYS 6 -6.389 -13.369 -8.374 50 H CYS 7 HN CYS 7 -9.099 -11.531 -2.798 51 HA CYS 7 HA CYS 7 -9.213 -14.280 -3.941 52 HB2 CYS 7 HB2 CYS 7 -8.511 -14.320 -1.183 53 HB3 CYS 7 HB1 CYS 7 -7.504 -14.732 -2.570 54 H GLY 8 HN GLY 8 -10.876 -12.081 -1.797 55 HA2 GLY 8 HA2 GLY 8 -13.071 -12.326 -0.939 56 HA3 GLY 8 HA1 GLY 8 -13.130 -13.937 -1.650 57 H LEU 9 HN LEU 9 -10.298 -13.839 0.040 58 HA LEU 9 HA LEU 9 -11.395 -15.463 2.223 59 HB2 LEU 9 HB2 LEU 9 -8.754 -14.830 1.083 60 HB3 LEU 9 HB1 LEU 9 -8.739 -14.959 2.837 61 HG LEU 9 HG LEU 9 -9.840 -17.172 2.680 62 HD11 LEU 9 HD11 LEU 9 -9.661 -18.091 0.175 63 HD12 LEU 9 HD12 LEU 9 -9.928 -16.389 -0.200 64 HD13 LEU 9 HD13 LEU 9 -11.112 -17.277 0.760 65 HD21 LEU 9 HD21 LEU 9 -7.702 -17.887 2.678 66 HD22 LEU 9 HD22 LEU 9 -7.193 -16.499 1.718 67 HD23 LEU 9 HD23 LEU 9 -7.784 -17.955 0.917 68 HA PRO 10 HA PRO 10 -11.736 -12.171 5.144 69 HB2 PRO 10 HB2 PRO 10 -10.714 -13.209 7.469 70 HB3 PRO 10 HB1 PRO 10 -12.324 -13.581 6.829 71 HG2 PRO 10 HG2 PRO 10 -9.846 -15.199 6.765 72 HG3 PRO 10 HG1 PRO 10 -11.536 -15.717 6.852 73 HD2 PRO 10 HD2 PRO 10 -9.992 -15.806 4.556 74 HD3 PRO 10 HD1 PRO 10 -11.766 -15.768 4.567 75 H ILE 11 HN ILE 11 -10.583 -10.346 5.534 76 HA ILE 11 HA ILE 11 -7.698 -10.348 5.085 77 HB ILE 11 HB ILE 11 -9.597 -8.117 5.851 78 HG12 ILE 11 HG12 ILE 11 -8.370 -8.685 3.159 79 HG13 ILE 11 HG11 ILE 11 -9.927 -9.373 3.630 80 HG21 ILE 11 HG21 ILE 11 -7.413 -7.101 4.447 81 HG22 ILE 11 HG22 ILE 11 -6.714 -8.262 5.574 82 HG23 ILE 11 HG23 ILE 11 -7.708 -6.939 6.178 83 HD11 ILE 11 HD11 ILE 11 -9.670 -6.492 4.180 84 HD12 ILE 11 HD12 ILE 11 -11.000 -7.383 3.440 85 HD13 ILE 11 HD13 ILE 11 -9.610 -6.907 2.467 86 H LYS 12 HN LYS 12 -6.274 -10.764 6.679 87 HA LYS 12 HA LYS 12 -7.070 -10.504 9.501 88 HB2 LYS 12 HB2 LYS 12 -4.543 -11.195 9.758 89 HB3 LYS 12 HB1 LYS 12 -5.713 -12.392 9.203 90 HG2 LYS 12 HG2 LYS 12 -4.441 -10.694 7.113 91 HG3 LYS 12 HG1 LYS 12 -3.420 -11.910 7.882 92 HD2 LYS 12 HD2 LYS 12 -6.161 -12.670 6.915 93 HD3 LYS 12 HD1 LYS 12 -4.826 -12.568 5.767 94 HE2 LYS 12 HE2 LYS 12 -3.727 -14.373 6.667 95 HE3 LYS 12 HE1 LYS 12 -4.308 -14.045 8.300 96 HZ1 LYS 12 HZ1 LYS 12 -5.860 -15.569 7.983 97 HZ2 LYS 12 HZ2 LYS 12 -5.366 -15.807 6.375 98 HZ3 LYS 12 HZ3 LYS 12 -6.531 -14.627 6.743 99 H VAL 13 HN VAL 13 -5.165 -8.834 7.091 100 HA VAL 13 HA VAL 13 -4.830 -6.565 8.974 101 HB VAL 13 HB VAL 13 -2.596 -7.224 7.119 102 HG11 VAL 13 HG11 VAL 13 -2.654 -5.107 8.413 103 HG12 VAL 13 HG12 VAL 13 -1.279 -6.113 8.870 104 HG13 VAL 13 HG13 VAL 13 -2.703 -6.041 9.908 105 HG21 VAL 13 HG21 VAL 13 -3.146 -8.597 9.759 106 HG22 VAL 13 HG22 VAL 13 -1.538 -8.530 9.039 107 HG23 VAL 13 HG23 VAL 13 -2.848 -9.355 8.195 108 H TYR 14 HN TYR 14 -4.950 -4.556 7.859 109 HA TYR 14 HA TYR 14 -6.148 -4.776 5.202 110 HB2 TYR 14 HB2 TYR 14 -5.694 -2.546 7.136 111 HB3 TYR 14 HB1 TYR 14 -6.066 -2.177 5.457 112 HD1 TYR 14 HD1 TYR 14 -7.330 -5.066 7.492 113 HD2 TYR 14 HD2 TYR 14 -8.262 -1.342 5.583 114 HE1 TYR 14 HE1 TYR 14 -9.733 -5.453 7.918 115 HE2 TYR 14 HE2 TYR 14 -10.670 -1.719 6.016 116 HH TYR 14 HH TYR 14 -12.010 -3.150 7.829 117 H GLY 15 HN GLY 15 -4.622 -5.304 3.711 118 HA2 GLY 15 HA2 GLY 15 -1.991 -4.083 3.625 119 HA3 GLY 15 HA1 GLY 15 -2.707 -5.081 2.351 120 H ARG 16 HN ARG 16 -2.504 -1.867 3.670 121 HA ARG 16 HA ARG 16 -4.339 -0.601 1.871 122 HB2 ARG 16 HB2 ARG 16 -3.472 0.447 3.966 123 HB3 ARG 16 HB1 ARG 16 -1.896 0.621 3.193 124 HG2 ARG 16 HG2 ARG 16 -2.566 2.508 2.167 125 HG3 ARG 16 HG1 ARG 16 -3.936 1.664 1.445 126 HD2 ARG 16 HD2 ARG 16 -5.288 2.044 3.423 127 HD3 ARG 16 HD1 ARG 16 -3.909 2.730 4.283 128 HE ARG 16 HE ARG 16 -5.551 4.109 2.299 129 HH11 ARG 16 HH21 ARG 16 -2.490 3.836 3.862 130 HH12 ARG 16 HH22 ARG 16 -2.053 5.490 3.586 131 HH21 ARG 16 HH11 ARG 16 -4.999 6.269 1.932 132 HH22 ARG 16 HH12 ARG 16 -3.473 6.867 2.493 133 H MET 17 HN MET 17 -4.030 0.383 -0.095 134 HA MET 17 HA MET 17 -1.399 -0.079 -1.453 135 HB2 MET 17 HB2 MET 17 -4.058 -0.066 -2.867 136 HB3 MET 17 HB1 MET 17 -2.525 -0.740 -3.406 137 HG2 MET 17 HG2 MET 17 -2.808 -2.204 -1.202 138 HG3 MET 17 HG1 MET 17 -4.511 -1.854 -1.488 139 HE1 MET 17 HE1 MET 17 -1.240 -2.667 -3.464 140 HE2 MET 17 HE2 MET 17 -1.598 -4.308 -3.997 141 HE3 MET 17 HE3 MET 17 -1.527 -3.945 -2.280 142 H ILE 18 HN ILE 18 -0.574 1.710 -2.463 143 HA ILE 18 HA ILE 18 -2.345 4.088 -2.779 144 HB ILE 18 HB ILE 18 0.161 5.160 -2.618 145 HG12 ILE 18 HG12 ILE 18 0.106 2.839 -0.675 146 HG13 ILE 18 HG11 ILE 18 1.109 2.934 -2.126 147 HG21 ILE 18 HG21 ILE 18 -1.876 5.855 -1.336 148 HG22 ILE 18 HG22 ILE 18 -0.439 5.804 -0.321 149 HG23 ILE 18 HG23 ILE 18 -1.618 4.496 -0.245 150 HD11 ILE 18 HD11 ILE 18 1.208 4.760 0.287 151 HD12 ILE 18 HD12 ILE 18 2.081 5.074 -1.213 152 HD13 ILE 18 HD13 ILE 18 2.462 3.644 -0.253 153 HA PRO 19 HA PRO 19 -1.815 6.182 -3.632 154 HB2 PRO 19 HB2 PRO 19 -2.744 7.559 -5.765 155 HB3 PRO 19 HB1 PRO 19 -1.027 7.567 -5.318 156 HG2 PRO 19 HG2 PRO 19 -2.413 6.080 -7.481 157 HG3 PRO 19 HG1 PRO 19 -0.801 6.815 -7.465 158 HD2 PRO 19 HD2 PRO 19 -1.314 4.099 -7.098 159 HD3 PRO 19 HD1 PRO 19 0.174 4.929 -6.605 160 H CYS 20 HN CYS 20 -3.143 3.589 -5.073 161 HA CYS 20 HA CYS 20 -5.810 4.225 -5.729 162 HB2 CYS 20 HB2 CYS 20 -4.269 1.881 -5.276 163 HB3 CYS 20 HB1 CYS 20 -5.716 1.741 -4.281 164 H LYS 21 HN LYS 21 -4.310 3.622 -2.590 165 HA LYS 21 HA LYS 21 -5.050 4.199 -0.439 166 HB2 LYS 21 HB2 LYS 21 -6.212 6.123 -2.020 167 HB3 LYS 21 HB1 LYS 21 -7.628 5.344 -1.315 168 HG2 LYS 21 HG2 LYS 21 -6.531 5.580 0.946 169 HG3 LYS 21 HG1 LYS 21 -5.286 6.560 0.168 170 HD2 LYS 21 HD2 LYS 21 -7.302 7.937 -0.764 171 HD3 LYS 21 HD1 LYS 21 -8.207 7.176 0.545 172 HE2 LYS 21 HE2 LYS 21 -7.382 9.212 1.464 173 HE3 LYS 21 HE1 LYS 21 -6.316 7.956 2.094 174 HZ1 LYS 21 HZ1 LYS 21 -4.593 8.641 0.822 175 HZ2 LYS 21 HZ2 LYS 21 -5.397 10.133 0.946 176 HZ3 LYS 21 HZ3 LYS 21 -5.579 9.179 -0.449 177 H HIS 22 HN HIS 22 -5.825 1.844 -2.129 178 HA HIS 22 HA HIS 22 -8.431 1.099 -0.898 179 HB2 HIS 22 HB2 HIS 22 -6.781 -0.254 -3.048 180 HB3 HIS 22 HB1 HIS 22 -8.337 -0.838 -2.460 181 HD2 HIS 22 HD2 HIS 22 -9.715 2.303 -2.430 182 HE1 HIS 22 HE1 HIS 22 -9.053 2.025 -6.590 183 HE2 HIS 22 HE2 HIS 22 -10.315 3.266 -4.777 184 H VAL 23 HN VAL 23 -8.430 -1.409 -0.267 185 HA VAL 23 HA VAL 23 -5.840 -2.147 0.964 186 HB VAL 23 HB VAL 23 -6.610 -2.297 3.148 187 HG11 VAL 23 HG11 VAL 23 -7.581 -0.173 3.682 188 HG12 VAL 23 HG12 VAL 23 -8.311 -0.034 2.086 189 HG13 VAL 23 HG13 VAL 23 -6.561 0.073 2.269 190 HG21 VAL 23 HG21 VAL 23 -9.182 -2.068 3.559 191 HG22 VAL 23 HG22 VAL 23 -8.549 -3.610 2.987 192 HG23 VAL 23 HG23 VAL 23 -9.325 -2.500 1.858 193 H PHE 24 HN PHE 24 -5.666 -4.351 1.535 194 HA PHE 24 HA PHE 24 -7.867 -6.185 0.836 195 HB2 PHE 24 HB2 PHE 24 -5.162 -6.412 -0.523 196 HB3 PHE 24 HB1 PHE 24 -6.549 -7.475 -0.757 197 HD1 PHE 24 HD1 PHE 24 -5.320 -4.008 -1.219 198 HD2 PHE 24 HD2 PHE 24 -8.299 -6.908 -2.265 199 HE1 PHE 24 HE1 PHE 24 -6.154 -2.504 -3.000 200 HE2 PHE 24 HE2 PHE 24 -9.134 -5.408 -4.048 201 HZ PHE 24 HZ PHE 24 -8.057 -3.206 -4.426 202 H CYS 25 HN CYS 25 -6.173 -8.479 0.744 203 HA CYS 25 HA CYS 25 -5.523 -8.695 3.606 204 HB2 CYS 25 HB2 CYS 25 -4.627 -11.013 2.565 205 HB3 CYS 25 HB1 CYS 25 -6.336 -10.741 2.916 206 H TYR 26 HN TYR 26 -3.616 -7.716 4.181 207 HA TYR 26 HA TYR 26 -1.512 -7.028 2.474 208 HB2 TYR 26 HB2 TYR 26 -1.752 -6.288 4.858 209 HB3 TYR 26 HB1 TYR 26 -1.185 -7.878 5.362 210 HD1 TYR 26 HD2 TYR 26 -0.146 -5.230 2.862 211 HD2 TYR 26 HD1 TYR 26 1.062 -7.999 5.924 212 HE1 TYR 26 HE2 TYR 26 2.203 -4.502 2.599 213 HE2 TYR 26 HE1 TYR 26 3.412 -7.262 5.657 214 HH TYR 26 HH TYR 26 4.333 -4.521 4.278 215 H ASP 27 HN ASP 27 -2.477 -10.165 3.316 216 HA ASP 27 HA ASP 27 0.176 -11.359 2.999 217 HB2 ASP 27 HB2 ASP 27 -1.355 -12.541 4.441 218 HB3 ASP 27 HB1 ASP 27 -2.602 -12.547 3.194 219 H CYS 28 HN CYS 28 -2.838 -11.263 1.103 220 HA CYS 28 HA CYS 28 -1.473 -12.452 -1.189 221 HB2 CYS 28 HB2 CYS 28 -4.122 -11.031 -1.364 222 HB3 CYS 28 HB1 CYS 28 -3.549 -12.409 -2.297 223 H ALA 29 HN ALA 29 -2.012 -9.296 0.105 224 HA ALA 29 HA ALA 29 -1.658 -7.819 -2.335 225 HB1 ALA 29 HB1 ALA 29 -1.756 -5.947 -0.984 226 HB2 ALA 29 HB2 ALA 29 -0.728 -6.665 0.255 227 HB3 ALA 29 HB3 ALA 29 -2.430 -7.113 0.154 228 H ILE 30 HN ILE 30 0.537 -9.164 0.115 229 HA ILE 30 HA ILE 30 2.851 -7.907 -1.132 230 HB ILE 30 HB ILE 30 4.173 -9.164 0.468 231 HG12 ILE 30 HG12 ILE 30 1.649 -10.485 1.445 232 HG13 ILE 30 HG11 ILE 30 2.732 -11.296 0.323 233 HG21 ILE 30 HG21 ILE 30 1.745 -7.683 1.281 234 HG22 ILE 30 HG22 ILE 30 3.438 -7.358 1.632 235 HG23 ILE 30 HG23 ILE 30 2.567 -8.581 2.552 236 HD11 ILE 30 HD11 ILE 30 4.567 -11.141 1.897 237 HD12 ILE 30 HD12 ILE 30 3.184 -11.865 2.716 238 HD13 ILE 30 HD13 ILE 30 3.589 -10.172 2.998 239 H LEU 31 HN LEU 31 1.195 -11.012 -1.280 240 HA LEU 31 HA LEU 31 3.253 -12.351 -2.805 241 HB2 LEU 31 HB2 LEU 31 0.263 -12.789 -2.651 242 HB3 LEU 31 HB1 LEU 31 1.329 -13.818 -3.600 243 HG LEU 31 HG LEU 31 1.983 -13.294 -0.715 244 HD11 LEU 31 HD11 LEU 31 0.675 -15.643 -0.522 245 HD12 LEU 31 HD12 LEU 31 -0.295 -14.887 -1.786 246 HD13 LEU 31 HD13 LEU 31 -0.114 -14.095 -0.220 247 HD21 LEU 31 HD21 LEU 31 3.283 -14.668 -2.656 248 HD22 LEU 31 HD22 LEU 31 2.248 -15.949 -2.033 249 HD23 LEU 31 HD23 LEU 31 3.364 -15.115 -0.953 250 H HIS 32 HN HIS 32 0.494 -10.312 -3.662 251 HA HIS 32 HA HIS 32 0.845 -10.601 -6.524 252 HB2 HIS 32 HB2 HIS 32 -0.762 -8.890 -4.702 253 HB3 HIS 32 HB1 HIS 32 -0.415 -8.217 -6.295 254 HD1 HIS 32 HD1 HIS 32 -1.759 -9.103 -8.232 255 HD2 HIS 32 HD2 HIS 32 -2.100 -11.523 -4.851 256 HE1 HIS 32 HE1 HIS 32 -3.523 -10.843 -8.770 257 HE2 HIS 32 HE2 HIS 32 -3.738 -12.320 -6.719 258 H GLU 33 HN GLU 33 2.171 -8.513 -4.036 259 HA GLU 33 HA GLU 33 3.376 -6.675 -5.931 260 HB2 GLU 33 HB2 GLU 33 3.745 -5.455 -4.069 261 HB3 GLU 33 HB1 GLU 33 2.979 -6.741 -3.148 262 HG2 GLU 33 HG2 GLU 33 5.196 -7.861 -2.909 263 HG3 GLU 33 HG1 GLU 33 5.944 -6.506 -3.764 264 H LYS 34 HN LYS 34 4.378 -9.604 -4.230 265 HA LYS 34 HA LYS 34 7.140 -9.444 -5.111 266 HB2 LYS 34 HB2 LYS 34 5.411 -11.590 -3.889 267 HB3 LYS 34 HB1 LYS 34 7.002 -11.994 -4.536 268 HG2 LYS 34 HG2 LYS 34 8.120 -10.807 -2.914 269 HG3 LYS 34 HG1 LYS 34 6.829 -9.616 -2.748 270 HD2 LYS 34 HD2 LYS 34 5.517 -11.053 -1.400 271 HD3 LYS 34 HD1 LYS 34 6.451 -12.476 -1.862 272 HE2 LYS 34 HE2 LYS 34 7.917 -10.243 -0.531 273 HE3 LYS 34 HE1 LYS 34 6.858 -11.235 0.472 274 HZ1 LYS 34 HZ1 LYS 34 8.599 -12.656 -1.373 275 HZ2 LYS 34 HZ2 LYS 34 8.154 -13.042 0.220 276 HZ3 LYS 34 HZ3 LYS 34 9.365 -11.887 -0.070 277 H LYS 35 HN LYS 35 4.141 -10.432 -6.498 278 HA LYS 35 HA LYS 35 5.359 -12.118 -8.535 279 HB2 LYS 35 HB2 LYS 35 2.581 -11.128 -7.995 280 HB3 LYS 35 HB1 LYS 35 2.968 -11.856 -9.553 281 HG2 LYS 35 HG2 LYS 35 3.735 -13.896 -8.460 282 HG3 LYS 35 HG1 LYS 35 3.485 -13.171 -6.870 283 HD2 LYS 35 HD2 LYS 35 1.123 -13.132 -7.142 284 HD3 LYS 35 HD1 LYS 35 1.240 -13.435 -8.875 285 HE2 LYS 35 HE2 LYS 35 2.017 -15.382 -6.683 286 HE3 LYS 35 HE1 LYS 35 0.572 -15.485 -7.690 287 HZ1 LYS 35 HZ1 LYS 35 2.014 -16.846 -8.808 288 HZ2 LYS 35 HZ2 LYS 35 3.385 -15.919 -8.421 289 HZ3 LYS 35 HZ3 LYS 35 2.296 -15.377 -9.607 290 H GLY 36 HN GLY 36 4.166 -8.820 -8.300 291 HA2 GLY 36 HA2 GLY 36 5.505 -8.238 -10.905 292 HA3 GLY 36 HA1 GLY 36 3.873 -7.641 -10.601 293 H ASP 37 HN ASP 37 4.318 -7.107 -7.784 294 HA ASP 37 HA ASP 37 5.242 -5.425 -6.378 295 HB2 ASP 37 HB2 ASP 37 7.388 -6.268 -7.808 296 HB3 ASP 37 HB1 ASP 37 7.295 -4.585 -8.327 297 H LYS 38 HN LYS 38 3.382 -4.931 -8.808 298 HA LYS 38 HA LYS 38 3.260 -2.061 -8.427 299 HB2 LYS 38 HB2 LYS 38 3.493 -1.596 -10.904 300 HB3 LYS 38 HB1 LYS 38 4.983 -1.971 -10.039 301 HG2 LYS 38 HG2 LYS 38 4.939 -4.253 -10.836 302 HG3 LYS 38 HG1 LYS 38 3.356 -4.013 -11.565 303 HD2 LYS 38 HD2 LYS 38 5.538 -2.155 -12.386 304 HD3 LYS 38 HD1 LYS 38 5.602 -3.808 -13.002 305 HE2 LYS 38 HE2 LYS 38 3.357 -3.603 -13.920 306 HE3 LYS 38 HE1 LYS 38 3.176 -2.001 -13.204 307 HZ1 LYS 38 HZ1 LYS 38 3.776 -1.720 -15.469 308 HZ2 LYS 38 HZ2 LYS 38 5.069 -2.815 -15.339 309 HZ3 LYS 38 HZ3 LYS 38 5.139 -1.314 -14.544 310 H MET 39 HN MET 39 1.359 -4.191 -8.029 311 HA MET 39 HA MET 39 -0.744 -3.205 -9.864 312 HB2 MET 39 HB2 MET 39 -0.080 -6.141 -9.552 313 HB3 MET 39 HB1 MET 39 -1.511 -5.514 -10.373 314 HG2 MET 39 HG2 MET 39 0.081 -4.161 -11.828 315 HG3 MET 39 HG1 MET 39 1.379 -5.136 -11.143 316 HE1 MET 39 HE1 MET 39 -1.779 -4.938 -13.259 317 HE2 MET 39 HE2 MET 39 -1.342 -6.063 -14.541 318 HE3 MET 39 HE3 MET 39 -0.290 -4.696 -14.184 319 H CYS 40 HN CYS 40 -2.691 -3.039 -8.955 320 HA CYS 40 HA CYS 40 -3.020 -3.800 -6.124 321 HB2 CYS 40 HB2 CYS 40 -3.643 -1.514 -7.043 322 HB3 CYS 40 HB1 CYS 40 -4.951 -2.311 -7.913 323 HA PRO 41 HA PRO 41 -4.938 -7.665 -7.684 324 HB2 PRO 41 HB2 PRO 41 -6.062 -7.583 -4.913 325 HB3 PRO 41 HB1 PRO 41 -5.312 -8.933 -5.787 326 HG2 PRO 41 HG2 PRO 41 -4.005 -7.581 -3.900 327 HG3 PRO 41 HG1 PRO 41 -3.188 -8.229 -5.330 328 HD2 PRO 41 HD2 PRO 41 -3.830 -5.419 -4.654 329 HD3 PRO 41 HD1 PRO 41 -2.549 -6.057 -5.703 330 H GLY 42 HN GLY 42 -6.537 -4.870 -6.346 331 HA2 GLY 42 HA2 GLY 42 -9.200 -5.895 -7.189 332 HA3 GLY 42 HA1 GLY 42 -8.924 -4.473 -6.190 333 H CYS 43 HN CYS 43 -7.468 -2.758 -7.464 334 HA CYS 43 HA CYS 43 -8.951 -2.253 -9.964 335 HB2 CYS 43 HB2 CYS 43 -6.958 -0.313 -8.888 336 HB3 CYS 43 HB1 CYS 43 -8.534 -0.012 -9.620 337 H SER 44 HN SER 44 -6.187 -3.843 -9.247 338 HA SER 44 HA SER 44 -4.200 -4.297 -10.424 339 HB2 SER 44 HB2 SER 44 -4.621 -4.962 -12.586 340 HB3 SER 44 HB1 SER 44 -6.287 -4.777 -12.044 341 HG SER 44 HG SER 44 -6.073 -3.622 -13.924 342 H ASP 45 HN ASP 45 -4.470 -1.578 -9.452 343 HA ASP 45 HA ASP 45 -3.322 0.074 -11.621 344 HB2 ASP 45 HB2 ASP 45 -4.809 0.580 -9.168 345 HB3 ASP 45 HB1 ASP 45 -3.359 1.577 -9.260 346 HA PRO 46 HA PRO 46 0.846 -0.337 -10.273 347 HB2 PRO 46 HB2 PRO 46 1.728 2.289 -10.227 348 HB3 PRO 46 HB1 PRO 46 1.574 1.303 -11.690 349 HG2 PRO 46 HG2 PRO 46 -0.251 3.382 -10.611 350 HG3 PRO 46 HG1 PRO 46 0.170 3.004 -12.290 351 HD2 PRO 46 HD2 PRO 46 -2.191 2.237 -11.175 352 HD3 PRO 46 HD1 PRO 46 -1.379 1.284 -12.436 353 H VAL 47 HN VAL 47 0.078 -1.010 -8.059 354 HA VAL 47 HA VAL 47 -0.351 0.775 -5.914 355 HB VAL 47 HB VAL 47 0.165 -1.009 -4.414 356 HG11 VAL 47 HG11 VAL 47 -0.879 -3.001 -5.745 357 HG12 VAL 47 HG12 VAL 47 -1.109 -1.815 -7.015 358 HG13 VAL 47 HG13 VAL 47 -1.849 -1.569 -5.441 359 HG21 VAL 47 HG21 VAL 47 1.171 -3.157 -5.633 360 HG22 VAL 47 HG22 VAL 47 2.213 -1.934 -4.912 361 HG23 VAL 47 HG23 VAL 47 1.905 -1.923 -6.645 362 H GLN 48 HN GLN 48 1.027 2.561 -5.861 363 HA GLN 48 HA GLN 48 3.758 2.644 -6.437 364 HB2 GLN 48 HB2 GLN 48 2.388 4.666 -5.979 365 HB3 GLN 48 HB1 GLN 48 2.338 4.228 -4.272 366 HG2 GLN 48 HG2 GLN 48 4.331 5.216 -3.946 367 HG3 GLN 48 HG1 GLN 48 5.066 4.160 -5.153 368 HE21 GLN 48 HE21 GLN 48 3.506 7.323 -4.691 369 HE22 GLN 48 HE22 GLN 48 4.006 7.975 -6.176 370 H ARG 49 HN ARG 49 2.208 2.126 -3.279 371 HA ARG 49 HA ARG 49 4.335 0.267 -2.577 372 HB2 ARG 49 HB2 ARG 49 4.284 2.079 -0.355 373 HB3 ARG 49 HB1 ARG 49 5.662 1.589 -1.332 374 HG2 ARG 49 HG2 ARG 49 5.338 3.394 -2.865 375 HG3 ARG 49 HG1 ARG 49 3.740 3.761 -2.209 376 HD2 ARG 49 HD2 ARG 49 4.723 4.448 -0.093 377 HD3 ARG 49 HD1 ARG 49 6.327 3.979 -0.654 378 HE ARG 49 HE ARG 49 5.501 5.808 -2.550 379 HH11 ARG 49 HH21 ARG 49 5.681 5.719 0.891 380 HH12 ARG 49 HH22 ARG 49 5.964 7.421 1.053 381 HH21 ARG 49 HH11 ARG 49 5.868 8.031 -2.359 382 HH22 ARG 49 HH12 ARG 49 6.069 8.729 -0.787 383 H ILE 50 HN ILE 50 3.349 -1.322 -1.442 384 HA ILE 50 HA ILE 50 0.685 -0.838 -0.370 385 HB ILE 50 HB ILE 50 2.233 -3.351 0.142 386 HG12 ILE 50 HG12 ILE 50 0.883 -2.593 -2.469 387 HG13 ILE 50 HG11 ILE 50 2.614 -2.793 -2.236 388 HG21 ILE 50 HG21 ILE 50 -0.663 -2.750 -0.496 389 HG22 ILE 50 HG22 ILE 50 -0.010 -3.048 1.111 390 HG23 ILE 50 HG23 ILE 50 -0.018 -4.338 -0.090 391 HD11 ILE 50 HD11 ILE 50 1.650 -4.824 -3.219 392 HD12 ILE 50 HD12 ILE 50 0.531 -4.961 -1.865 393 HD13 ILE 50 HD13 ILE 50 2.262 -5.151 -1.598 394 H GLU 51 HN GLU 51 0.135 -0.873 1.776 395 HA GLU 51 HA GLU 51 2.338 -1.058 3.766 396 HB2 GLU 51 HB2 GLU 51 0.315 1.187 3.742 397 HB3 GLU 51 HB1 GLU 51 1.707 1.013 4.817 398 HG2 GLU 51 HG2 GLU 51 3.191 1.047 2.795 399 HG3 GLU 51 HG1 GLU 51 1.770 1.419 1.818 400 H GLN 52 HN GLN 52 1.669 -1.605 5.860 401 HA GLN 52 HA GLN 52 -0.832 -3.143 5.928 402 HB2 GLN 52 HB2 GLN 52 1.499 -2.820 7.817 403 HB3 GLN 52 HB1 GLN 52 0.031 -3.670 8.303 404 HG2 GLN 52 HG2 GLN 52 0.376 -5.409 6.815 405 HG3 GLN 52 HG1 GLN 52 1.294 -4.404 5.694 406 HE21 GLN 52 HE21 GLN 52 1.524 -6.173 8.781 407 HE22 GLN 52 HE22 GLN 52 3.220 -6.222 8.817 408 H CYS 53 HN CYS 53 -2.603 -2.686 7.241 409 HA CYS 53 HA CYS 53 -2.493 -0.300 8.984 410 HB2 CYS 53 HB2 CYS 53 -3.821 -0.412 6.399 411 HB3 CYS 53 HB1 CYS 53 -4.966 -0.074 7.697 412 H THR 54 HN THR 54 -4.369 -0.218 10.469 413 HA THR 54 HA THR 54 -5.147 -2.915 11.285 414 HB THR 54 HB THR 54 -6.565 -0.816 12.682 415 HG1 THR 54 HG1 THR 54 -3.759 -0.545 12.373 416 HG21 THR 54 HG21 THR 54 -4.246 -2.557 13.555 417 HG22 THR 54 HG22 THR 54 -5.924 -3.098 13.511 418 HG23 THR 54 HG23 THR 54 -5.447 -1.790 14.595 419 H ARG 55 HN ARG 55 -7.515 -3.358 11.773 420 HA ARG 55 HA ARG 55 -9.052 -2.982 9.382 421 HB2 ARG 55 HB2 ARG 55 -9.288 -4.954 10.886 422 HB3 ARG 55 HB1 ARG 55 -10.018 -3.904 12.099 423 HG2 ARG 55 HG2 ARG 55 -11.341 -3.459 9.593 424 HG3 ARG 55 HG1 ARG 55 -11.304 -5.194 9.911 425 HD2 ARG 55 HD2 ARG 55 -12.219 -3.116 11.920 426 HD3 ARG 55 HD1 ARG 55 -13.306 -4.053 10.896 427 HE ARG 55 HE ARG 55 -11.889 -5.046 13.250 428 HH11 ARG 55 HH21 ARG 55 -13.355 -5.765 10.214 429 HH12 ARG 55 HH22 ARG 55 -13.694 -7.415 10.617 430 HH21 ARG 55 HH11 ARG 55 -12.325 -7.196 13.795 431 HH22 ARG 55 HH12 ARG 55 -13.111 -8.224 12.645 432 H GLY 56 HN GLY 56 -10.196 -2.068 12.634 433 HA2 GLY 56 HA2 GLY 56 -11.969 -0.078 11.557 434 HA3 GLY 56 HA1 GLY 56 -11.561 -0.264 13.261 435 H SER 57 HN SER 57 -8.982 0.210 10.929 436 HA SER 57 HA SER 57 -8.390 2.788 12.255 437 HB2 SER 57 HB2 SER 57 -6.833 0.880 10.554 438 HB3 SER 57 HB1 SER 57 -6.310 2.557 10.648 439 HG SER 57 HG SER 57 -5.815 2.298 12.705 440 H LEU 58 HN LEU 58 -10.062 1.749 9.552 441 HA LEU 58 HA LEU 58 -9.714 4.415 8.248 442 HB2 LEU 58 HB2 LEU 58 -10.403 2.007 6.613 443 HB3 LEU 58 HB1 LEU 58 -9.637 3.511 6.116 444 HG LEU 58 HG LEU 58 -8.321 1.390 7.845 445 HD11 LEU 58 HD11 LEU 58 -7.161 0.671 5.927 446 HD12 LEU 58 HD12 LEU 58 -7.586 2.119 5.016 447 HD13 LEU 58 HD13 LEU 58 -8.812 0.896 5.345 448 HD21 LEU 58 HD21 LEU 58 -6.413 3.050 6.642 449 HD22 LEU 58 HD22 LEU 58 -6.886 3.072 8.339 450 HD23 LEU 58 HD23 LEU 58 -7.667 4.158 7.191 451 H PHE 59 HN PHE 59 -11.661 4.740 6.642 452 HA PHE 59 HA PHE 59 -14.147 3.861 8.063 453 HB2 PHE 59 HB2 PHE 59 -13.234 6.403 7.983 454 HB3 PHE 59 HB1 PHE 59 -14.196 6.377 6.505 455 HD1 PHE 59 HD2 PHE 59 -16.508 4.933 6.867 456 HD2 PHE 59 HD1 PHE 59 -14.378 7.138 9.876 457 HE1 PHE 59 HE2 PHE 59 -18.588 5.113 8.208 458 HE2 PHE 59 HE1 PHE 59 -16.456 7.316 11.217 459 HZ PHE 59 HZ PHE 59 -18.561 6.304 10.384 460 H MET 60 HN MET 60 -15.084 2.355 6.756 461 HA MET 60 HA MET 60 -14.767 2.332 3.879 462 HB2 MET 60 HB2 MET 60 -16.702 0.857 5.682 463 HB3 MET 60 HB1 MET 60 -16.488 0.530 3.962 464 HG2 MET 60 HG2 MET 60 -14.630 -0.682 4.345 465 HG3 MET 60 HG1 MET 60 -13.933 0.600 5.333 466 HE1 MET 60 HE1 MET 60 -13.112 -2.169 6.246 467 HE2 MET 60 HE2 MET 60 -13.390 -1.951 7.972 468 HE3 MET 60 HE3 MET 60 -12.804 -0.601 7.004 469 H CYS 61 HN CYS 61 -16.250 2.949 2.283 470 HA CYS 61 HA CYS 61 -18.127 5.070 3.030 471 HB2 CYS 61 HB2 CYS 61 -16.806 5.230 0.947 472 HB3 CYS 61 HB1 CYS 61 -17.589 3.772 0.343 473 H SER 62 HN SER 62 -20.380 4.959 2.929 474 HA SER 62 HA SER 62 -21.533 2.208 2.670 475 HB2 SER 62 HB2 SER 62 -21.708 3.647 4.861 476 HB3 SER 62 HB1 SER 62 -22.962 4.508 3.972 477 HG SER 62 HG SER 62 -23.532 2.544 5.291 478 H ILE 63 HN ILE 63 -21.081 3.525 0.284 479 HA ILE 63 HA ILE 63 -23.865 4.165 -0.576 480 HB ILE 63 HB ILE 63 -21.414 5.703 -1.492 481 HG12 ILE 63 HG12 ILE 63 -23.380 6.138 0.728 482 HG13 ILE 63 HG11 ILE 63 -21.658 6.509 0.671 483 HG21 ILE 63 HG21 ILE 63 -23.498 5.444 -3.009 484 HG22 ILE 63 HG22 ILE 63 -22.927 7.078 -2.698 485 HG23 ILE 63 HG23 ILE 63 -24.324 6.452 -1.825 486 HD11 ILE 63 HD11 ILE 63 -23.950 8.059 -0.537 487 HD12 ILE 63 HD12 ILE 63 -22.295 8.278 -1.106 488 HD13 ILE 63 HD13 ILE 63 -22.704 8.627 0.572 489 H VAL 64 HN VAL 64 -20.537 3.425 -1.673 490 HA VAL 64 HA VAL 64 -21.542 1.299 -3.389 491 HB VAL 64 HB VAL 64 -22.095 3.109 -4.875 492 HG11 VAL 64 HG11 VAL 64 -20.862 4.925 -3.916 493 HG12 VAL 64 HG12 VAL 64 -20.252 4.727 -5.559 494 HG13 VAL 64 HG13 VAL 64 -19.322 4.112 -4.193 495 HG21 VAL 64 HG21 VAL 64 -20.988 2.342 -6.752 496 HG22 VAL 64 HG22 VAL 64 -20.536 1.066 -5.622 497 HG23 VAL 64 HG23 VAL 64 -19.411 2.379 -5.967 498 H GLN 65 HN GLN 65 -19.812 -0.011 -4.197 499 HA GLN 65 HA GLN 65 -17.331 0.265 -2.665 500 HB2 GLN 65 HB2 GLN 65 -18.190 -1.779 -4.735 501 HB3 GLN 65 HB1 GLN 65 -16.728 -1.887 -3.753 502 HG2 GLN 65 HG2 GLN 65 -18.111 -1.861 -1.701 503 HG3 GLN 65 HG1 GLN 65 -19.568 -1.789 -2.693 504 HE21 GLN 65 HE21 GLN 65 -17.055 -3.911 -1.485 505 HE22 GLN 65 HE22 GLN 65 -17.660 -5.339 -2.172 506 H GLY 66 HN GLY 66 -17.997 2.258 -4.802 507 HA2 GLY 66 HA2 GLY 66 -15.846 1.726 -6.789 508 HA3 GLY 66 HA1 GLY 66 -17.074 2.985 -6.921 509 H CYS 67 HN CYS 67 -16.945 4.548 -4.862 510 HA CYS 67 HA CYS 67 -14.659 6.118 -5.078 511 HB2 CYS 67 HB2 CYS 67 -15.263 7.017 -2.810 512 HB3 CYS 67 HB1 CYS 67 -16.624 6.939 -3.925 513 H LYS 68 HN LYS 68 -12.941 6.474 -3.309 514 HA LYS 68 HA LYS 68 -11.246 4.275 -3.078 515 HB2 LYS 68 HB2 LYS 68 -11.295 6.177 -0.774 516 HB3 LYS 68 HB1 LYS 68 -9.925 5.569 -1.697 517 HG2 LYS 68 HG2 LYS 68 -10.844 6.926 -3.668 518 HG3 LYS 68 HG1 LYS 68 -11.888 7.723 -2.490 519 HD2 LYS 68 HD2 LYS 68 -9.722 8.140 -1.140 520 HD3 LYS 68 HD1 LYS 68 -8.872 7.733 -2.630 521 HE2 LYS 68 HE2 LYS 68 -10.011 9.522 -3.825 522 HE3 LYS 68 HE1 LYS 68 -10.999 9.883 -2.410 523 HZ1 LYS 68 HZ1 LYS 68 -9.311 10.928 -1.382 524 HZ2 LYS 68 HZ2 LYS 68 -8.732 11.140 -2.966 525 HZ3 LYS 68 HZ3 LYS 68 -8.125 9.883 -1.997 526 H ARG 69 HN ARG 69 -14.208 4.707 -1.479 527 HA ARG 69 HA ARG 69 -15.310 3.399 0.100 528 HB2 ARG 69 HB2 ARG 69 -13.488 1.644 -1.208 529 HB3 ARG 69 HB1 ARG 69 -13.473 1.257 0.514 530 HG2 ARG 69 HG2 ARG 69 -15.955 1.176 0.488 531 HG3 ARG 69 HG1 ARG 69 -15.925 1.481 -1.248 532 HD2 ARG 69 HD2 ARG 69 -14.516 -0.859 0.061 533 HD3 ARG 69 HD1 ARG 69 -16.133 -0.960 -0.634 534 HE ARG 69 HE ARG 69 -14.653 0.076 -2.705 535 HH11 ARG 69 HH21 ARG 69 -14.295 -2.580 -0.538 536 HH12 ARG 69 HH22 ARG 69 -13.433 -3.563 -1.674 537 HH21 ARG 69 HH11 ARG 69 -13.529 -1.190 -4.201 538 HH22 ARG 69 HH12 ARG 69 -12.998 -2.775 -3.748 539 H THR 70 HN THR 70 -11.876 2.792 0.906 540 HA THR 70 HA THR 70 -12.525 3.466 3.711 541 HB THR 70 HB THR 70 -10.044 2.765 3.997 542 HG1 THR 70 HG1 THR 70 -10.369 1.160 1.805 543 HG21 THR 70 HG21 THR 70 -12.302 0.912 3.226 544 HG22 THR 70 HG22 THR 70 -11.795 1.387 4.846 545 HG23 THR 70 HG23 THR 70 -10.770 0.329 3.878 546 H TYR 71 HN TYR 71 -11.242 4.989 4.922 547 HA TYR 71 HA TYR 71 -9.477 6.801 3.424 548 HB2 TYR 71 HB2 TYR 71 -11.931 7.819 4.873 549 HB3 TYR 71 HB1 TYR 71 -10.705 8.814 4.093 550 HD1 TYR 71 HD2 TYR 71 -13.387 6.320 3.485 551 HD2 TYR 71 HD1 TYR 71 -10.656 9.120 1.714 552 HE1 TYR 71 HE2 TYR 71 -14.568 6.100 1.316 553 HE2 TYR 71 HE1 TYR 71 -11.835 8.893 -0.456 554 HH TYR 71 HH TYR 71 -14.208 6.430 -0.999 555 H LEU 72 HN LEU 72 -8.736 8.584 5.129 556 HA LEU 72 HA LEU 72 -8.028 7.078 7.589 557 HB2 LEU 72 HB2 LEU 72 -6.639 9.613 7.158 558 HB3 LEU 72 HB1 LEU 72 -5.975 8.002 7.426 559 HG LEU 72 HG LEU 72 -7.029 9.078 4.792 560 HD11 LEU 72 HD11 LEU 72 -4.892 10.036 5.171 561 HD12 LEU 72 HD12 LEU 72 -4.571 8.623 4.166 562 HD13 LEU 72 HD13 LEU 72 -4.270 8.557 5.903 563 HD21 LEU 72 HD21 LEU 72 -7.286 6.900 4.235 564 HD22 LEU 72 HD22 LEU 72 -6.609 6.373 5.777 565 HD23 LEU 72 HD23 LEU 72 -5.542 6.716 4.416 566 H SER 73 HN SER 73 -10.057 9.621 6.573 567 HA SER 73 HA SER 73 -10.715 10.211 9.364 568 HB2 SER 73 HB2 SER 73 -9.417 12.302 7.605 569 HB3 SER 73 HB1 SER 73 -10.331 12.695 9.059 570 HG SER 73 HG SER 73 -7.812 11.996 8.897 571 H GLN 74 HN GLN 74 -12.810 10.884 9.544 572 HA GLN 74 HA GLN 74 -14.715 10.567 7.582 573 HB2 GLN 74 HB2 GLN 74 -14.740 12.647 9.780 574 HB3 GLN 74 HB1 GLN 74 -16.160 12.103 8.883 575 HG2 GLN 74 HG2 GLN 74 -14.409 10.054 10.187 576 HG3 GLN 74 HG1 GLN 74 -15.531 10.974 11.188 577 HE21 GLN 74 HE21 GLN 74 -15.473 9.034 8.156 578 HE22 GLN 74 HE22 GLN 74 -17.050 8.436 8.332 579 H ARG 75 HN ARG 75 -12.644 13.357 8.075 580 HA ARG 75 HA ARG 75 -14.020 15.174 6.342 581 HB2 ARG 75 HB2 ARG 75 -12.219 15.767 8.002 582 HB3 ARG 75 HB1 ARG 75 -11.045 15.037 6.908 583 HG2 ARG 75 HG2 ARG 75 -12.479 16.718 5.238 584 HG3 ARG 75 HG1 ARG 75 -12.380 17.636 6.739 585 HD2 ARG 75 HD2 ARG 75 -9.887 17.073 6.760 586 HD3 ARG 75 HD1 ARG 75 -10.101 16.515 5.101 587 HE ARG 75 HE ARG 75 -11.199 19.068 5.110 588 HH11 ARG 75 HH21 ARG 75 -8.206 17.602 5.993 589 HH12 ARG 75 HH22 ARG 75 -7.257 19.001 5.616 590 HH21 ARG 75 HH11 ARG 75 -9.977 20.904 4.613 591 HH22 ARG 75 HH12 ARG 75 -8.260 20.870 4.835 592 H ASP 76 HN ASP 76 -11.693 12.622 5.752 593 HA ASP 76 HA ASP 76 -11.339 13.410 2.945 594 HB2 ASP 76 HB2 ASP 76 -10.320 11.083 4.596 595 HB3 ASP 76 HB1 ASP 76 -10.011 11.234 2.866 596 H LEU 77 HN LEU 77 -13.110 11.092 4.889 597 HA LEU 77 HA LEU 77 -14.070 9.607 2.582 598 HB2 LEU 77 HB2 LEU 77 -14.128 8.291 4.505 599 HB3 LEU 77 HB1 LEU 77 -14.639 9.614 5.525 600 HG LEU 77 HG LEU 77 -16.459 8.613 3.345 601 HD11 LEU 77 HD11 LEU 77 -17.437 6.992 4.887 602 HD12 LEU 77 HD12 LEU 77 -16.245 7.414 6.113 603 HD13 LEU 77 HD13 LEU 77 -15.734 6.621 4.623 604 HD21 LEU 77 HD21 LEU 77 -17.918 10.035 4.310 605 HD22 LEU 77 HD22 LEU 77 -16.666 10.549 5.435 606 HD23 LEU 77 HD23 LEU 77 -17.730 9.212 5.855 607 H GLN 78 HN GLN 78 -15.115 12.277 4.595 608 HA GLN 78 HA GLN 78 -17.748 12.409 3.391 609 HB2 GLN 78 HB2 GLN 78 -17.136 13.427 5.640 610 HB3 GLN 78 HB1 GLN 78 -16.246 14.663 4.750 611 HG2 GLN 78 HG2 GLN 78 -18.371 15.637 5.098 612 HG3 GLN 78 HG1 GLN 78 -18.453 15.025 3.445 613 HE21 GLN 78 HE21 GLN 78 -20.139 13.582 2.989 614 HE22 GLN 78 HE22 GLN 78 -21.096 12.818 4.164 615 H ALA 79 HN ALA 79 -14.591 13.740 2.830 616 HA ALA 79 HA ALA 79 -15.443 15.547 0.729 617 HB1 ALA 79 HB1 ALA 79 -12.721 14.301 1.266 618 HB2 ALA 79 HB2 ALA 79 -13.283 15.836 1.928 619 HB3 ALA 79 HB3 ALA 79 -13.032 15.665 0.190 620 H HIS 80 HN HIS 80 -14.912 12.123 1.030 621 HA HIS 80 HA HIS 80 -14.427 11.776 -1.827 622 HB2 HIS 80 HB2 HIS 80 -13.990 9.627 -1.320 623 HB3 HIS 80 HB1 HIS 80 -14.013 10.184 0.345 624 HD1 HIS 80 HD1 HIS 80 -15.466 8.793 1.793 625 HD2 HIS 80 HD2 HIS 80 -16.901 8.916 -2.110 626 HE1 HIS 80 HE1 HIS 80 -17.507 7.298 1.733 627 H ILE 81 HN ILE 81 -17.194 11.586 0.331 628 HA ILE 81 HA ILE 81 -19.112 10.586 -1.482 629 HB ILE 81 HB ILE 81 -19.851 12.805 0.410 630 HG12 ILE 81 HG12 ILE 81 -18.296 11.140 1.540 631 HG13 ILE 81 HG11 ILE 81 -19.832 11.431 2.315 632 HG21 ILE 81 HG21 ILE 81 -21.210 10.287 -0.570 633 HG22 ILE 81 HG22 ILE 81 -21.676 11.959 -0.860 634 HG23 ILE 81 HG23 ILE 81 -21.842 11.268 0.750 635 HD11 ILE 81 HD11 ILE 81 -20.731 9.379 1.565 636 HD12 ILE 81 HD12 ILE 81 -19.098 8.978 2.082 637 HD13 ILE 81 HD13 ILE 81 -19.459 9.162 0.365 638 H ASN 82 HN ASN 82 -18.385 13.959 -0.636 639 HA ASN 82 HA ASN 82 -20.063 15.054 -2.689 640 HB2 ASN 82 HB2 ASN 82 -17.666 16.543 -1.682 641 HB3 ASN 82 HB1 ASN 82 -19.305 17.128 -1.973 642 HD21 ASN 82 HD21 ASN 82 -17.352 16.857 0.546 643 HD22 ASN 82 HD22 ASN 82 -18.414 16.312 1.751 644 H HIS 83 HN HIS 83 -16.796 13.826 -2.670 645 HA HIS 83 HA HIS 83 -16.226 15.142 -5.231 646 HB2 HIS 83 HB2 HIS 83 -14.595 13.260 -3.543 647 HB3 HIS 83 HB1 HIS 83 -14.044 13.907 -5.082 648 HD1 HIS 83 HD1 HIS 83 -12.192 14.920 -3.209 649 HD2 HIS 83 HD2 HIS 83 -15.974 16.671 -3.386 650 HE1 HIS 83 HE1 HIS 83 -11.979 17.200 -2.122 651 HE2 HIS 83 HE2 HIS 83 -14.275 18.273 -2.225 652 H ARG 84 HN ARG 84 -17.737 12.219 -4.303 653 HA ARG 84 HA ARG 84 -17.046 11.007 -6.935 654 HB2 ARG 84 HB2 ARG 84 -17.794 9.671 -4.344 655 HB3 ARG 84 HB1 ARG 84 -17.494 8.821 -5.860 656 HG2 ARG 84 HG2 ARG 84 -15.494 10.682 -4.538 657 HG3 ARG 84 HG1 ARG 84 -15.485 8.934 -4.322 658 HD2 ARG 84 HD2 ARG 84 -15.597 9.186 -7.076 659 HD3 ARG 84 HD1 ARG 84 -14.574 10.541 -6.609 660 HE ARG 84 HE ARG 84 -13.921 7.689 -6.298 661 HH11 ARG 84 HH21 ARG 84 -13.295 10.979 -5.449 662 HH12 ARG 84 HH22 ARG 84 -11.649 10.683 -5.001 663 HH21 ARG 84 HH11 ARG 84 -11.781 7.294 -5.718 664 HH22 ARG 84 HH12 ARG 84 -10.793 8.599 -5.155 665 H HIS 85 HN HIS 85 -19.780 11.164 -4.636 666 HA HIS 85 HA HIS 85 -21.580 11.039 -7.001 667 HB2 HIS 85 HB2 HIS 85 -22.964 9.602 -5.095 668 HB3 HIS 85 HB1 HIS 85 -22.082 8.902 -6.451 669 HD1 HIS 85 HD1 HIS 85 -20.567 7.087 -5.676 670 HD2 HIS 85 HD2 HIS 85 -20.843 10.151 -2.866 671 HE1 HIS 85 HE1 HIS 85 -19.064 6.421 -3.747 672 H MET 86 HN MET 86 -20.919 12.128 -3.806 673 HA MET 86 HA MET 86 -21.972 13.661 -2.421 674 HB2 MET 86 HB2 MET 86 -22.185 15.628 -3.502 675 HB3 MET 86 HB1 MET 86 -21.724 14.730 -4.936 676 HG2 MET 86 HG2 MET 86 -23.629 15.713 -5.741 677 HG3 MET 86 HG1 MET 86 -24.400 14.307 -5.035 678 HE1 MET 86 HE1 MET 86 -22.932 17.642 -4.451 679 HE2 MET 86 HE2 MET 86 -24.017 18.535 -3.387 680 HE3 MET 86 HE3 MET 86 -24.479 18.244 -5.062 681 H ARG 87 HN ARG 87 -23.367 11.132 -3.160 682 HA ARG 87 HA ARG 87 -26.209 11.913 -2.911 683 HB2 ARG 87 HB2 ARG 87 -25.415 10.054 -4.470 684 HB3 ARG 87 HB1 ARG 87 -25.085 9.108 -3.018 685 HG2 ARG 87 HG2 ARG 87 -27.554 9.785 -2.380 686 HG3 ARG 87 HG1 ARG 87 -27.719 10.032 -4.118 687 HD2 ARG 87 HD2 ARG 87 -26.933 7.732 -4.528 688 HD3 ARG 87 HD1 ARG 87 -26.756 7.480 -2.792 689 HE ARG 87 HE ARG 87 -29.279 7.500 -4.278 690 HH11 ARG 87 HH21 ARG 87 -27.645 7.890 -1.267 691 HH12 ARG 87 HH22 ARG 87 -29.042 7.521 -0.310 692 HH21 ARG 87 HH11 ARG 87 -31.112 7.017 -3.046 693 HH22 ARG 87 HH12 ARG 87 -31.003 7.027 -1.317 694 H ALA 88 HN ALA 88 -27.435 11.450 -1.055 695 HA ALA 88 HA ALA 88 -26.761 9.772 1.084 696 HB1 ALA 88 HB1 ALA 88 -26.008 11.830 2.641 697 HB2 ALA 88 HB2 ALA 88 -25.331 12.387 1.110 698 HB3 ALA 88 HB3 ALA 88 -24.839 10.830 1.777 699 H GLY 89 HN GLY 89 -27.800 10.736 3.259 700 HA2 GLY 89 HA2 GLY 89 -30.526 11.447 2.550 701 HA3 GLY 89 HA1 GLY 89 -29.899 11.269 4.190 Start of MODEL 16 1 H1 VAL 1 HT1 VAL 1 -16.791 -6.508 2.234 2 H2 VAL 1 HT2 VAL 1 -15.595 -5.704 1.335 3 H3 VAL 1 HT3 VAL 1 -17.019 -4.891 1.777 4 HA VAL 1 HA VAL 1 -14.830 -4.507 3.104 5 HB VAL 1 HB VAL 1 -16.318 -4.301 5.202 6 HG11 VAL 1 HG11 VAL 1 -15.898 -2.466 3.583 7 HG12 VAL 1 HG12 VAL 1 -17.539 -2.406 4.228 8 HG13 VAL 1 HG13 VAL 1 -17.251 -3.037 2.607 9 HG21 VAL 1 HG21 VAL 1 -18.444 -5.107 5.164 10 HG22 VAL 1 HG22 VAL 1 -17.882 -6.116 3.830 11 HG23 VAL 1 HG23 VAL 1 -18.701 -4.590 3.498 12 H HIS 2 HN HIS 2 -13.567 -5.399 4.744 13 HA HIS 2 HA HIS 2 -12.603 -7.026 6.091 14 HB2 HIS 2 HB2 HIS 2 -15.078 -8.664 6.089 15 HB3 HIS 2 HB1 HIS 2 -14.007 -8.242 7.423 16 HD1 HIS 2 HD1 HIS 2 -14.187 -5.659 8.254 17 HD2 HIS 2 HD2 HIS 2 -17.323 -7.069 5.894 18 HE1 HIS 2 HE1 HIS 2 -16.112 -4.040 8.579 19 HE2 HIS 2 HE2 HIS 2 -18.028 -4.890 7.150 20 H PHE 3 HN PHE 3 -14.846 -8.543 3.785 21 HA PHE 3 HA PHE 3 -13.171 -10.860 3.372 22 HB2 PHE 3 HB2 PHE 3 -15.126 -10.042 1.282 23 HB3 PHE 3 HB1 PHE 3 -14.858 -11.625 2.013 24 HD1 PHE 3 HD2 PHE 3 -15.021 -11.026 4.889 25 HD2 PHE 3 HD1 PHE 3 -17.410 -9.571 1.629 26 HE1 PHE 3 HE2 PHE 3 -16.907 -10.626 6.449 27 HE2 PHE 3 HE1 PHE 3 -19.295 -9.171 3.189 28 HZ PHE 3 HZ PHE 3 -19.044 -9.699 5.599 29 H CYS 4 HN CYS 4 -11.294 -10.855 2.251 30 HA CYS 4 HA CYS 4 -10.149 -8.769 0.825 31 HB2 CYS 4 HB2 CYS 4 -8.804 -10.681 1.317 32 HB3 CYS 4 HB1 CYS 4 -9.907 -11.764 0.471 33 H ASP 5 HN ASP 5 -10.192 -8.101 -1.361 34 HA ASP 5 HA ASP 5 -12.680 -8.750 -2.766 35 HB2 ASP 5 HB2 ASP 5 -10.843 -6.556 -2.708 36 HB3 ASP 5 HB1 ASP 5 -10.977 -7.127 -4.371 37 H LYS 6 HN LYS 6 -9.341 -9.714 -2.915 38 HA LYS 6 HA LYS 6 -9.642 -10.717 -5.665 39 HB2 LYS 6 HB2 LYS 6 -7.496 -9.678 -4.791 40 HB3 LYS 6 HB1 LYS 6 -7.296 -11.119 -3.797 41 HG2 LYS 6 HG2 LYS 6 -7.873 -11.798 -6.585 42 HG3 LYS 6 HG1 LYS 6 -6.422 -10.812 -6.430 43 HD2 LYS 6 HD2 LYS 6 -6.944 -13.270 -4.745 44 HD3 LYS 6 HD1 LYS 6 -6.036 -13.307 -6.255 45 HE2 LYS 6 HE2 LYS 6 -5.082 -11.168 -4.543 46 HE3 LYS 6 HE1 LYS 6 -5.025 -12.717 -3.701 47 HZ1 LYS 6 HZ1 LYS 6 -4.143 -13.173 -6.289 48 HZ2 LYS 6 HZ2 LYS 6 -3.222 -13.198 -4.863 49 HZ3 LYS 6 HZ3 LYS 6 -3.356 -11.766 -5.766 50 H CYS 7 HN CYS 7 -9.301 -12.030 -2.377 51 HA CYS 7 HA CYS 7 -9.756 -14.750 -3.474 52 HB2 CYS 7 HB2 CYS 7 -8.955 -14.127 -0.643 53 HB3 CYS 7 HB1 CYS 7 -8.730 -15.627 -1.541 54 H GLY 8 HN GLY 8 -11.357 -12.274 -1.662 55 HA2 GLY 8 HA2 GLY 8 -13.578 -12.277 -0.864 56 HA3 GLY 8 HA1 GLY 8 -13.746 -13.918 -1.486 57 H LEU 9 HN LEU 9 -10.999 -13.830 0.412 58 HA LEU 9 HA LEU 9 -12.392 -15.244 2.589 59 HB2 LEU 9 HB2 LEU 9 -9.607 -14.974 1.621 60 HB3 LEU 9 HB1 LEU 9 -9.774 -15.124 3.369 61 HG LEU 9 HG LEU 9 -11.129 -17.163 3.071 62 HD11 LEU 9 HD11 LEU 9 -10.736 -17.959 0.463 63 HD12 LEU 9 HD12 LEU 9 -11.063 -16.235 0.280 64 HD13 LEU 9 HD13 LEU 9 -12.235 -17.273 1.093 65 HD21 LEU 9 HD21 LEU 9 -9.066 -18.190 1.440 66 HD22 LEU 9 HD22 LEU 9 -9.116 -18.170 3.203 67 HD23 LEU 9 HD23 LEU 9 -8.351 -16.843 2.327 68 HA PRO 10 HA PRO 10 -12.570 -11.819 5.362 69 HB2 PRO 10 HB2 PRO 10 -11.884 -12.947 7.766 70 HB3 PRO 10 HB1 PRO 10 -13.473 -13.109 6.997 71 HG2 PRO 10 HG2 PRO 10 -11.208 -15.031 7.080 72 HG3 PRO 10 HG1 PRO 10 -12.953 -15.333 7.138 73 HD2 PRO 10 HD2 PRO 10 -11.451 -15.715 4.881 74 HD3 PRO 10 HD1 PRO 10 -13.175 -15.286 4.836 75 H ILE 11 HN ILE 11 -11.079 -10.272 5.124 76 HA ILE 11 HA ILE 11 -8.247 -10.577 5.193 77 HB ILE 11 HB ILE 11 -9.994 -8.142 5.636 78 HG12 ILE 11 HG12 ILE 11 -8.452 -8.889 3.147 79 HG13 ILE 11 HG11 ILE 11 -10.074 -9.506 3.421 80 HG21 ILE 11 HG21 ILE 11 -7.641 -7.243 4.581 81 HG22 ILE 11 HG22 ILE 11 -7.079 -8.554 5.621 82 HG23 ILE 11 HG23 ILE 11 -8.022 -7.230 6.304 83 HD11 ILE 11 HD11 ILE 11 -11.032 -7.504 2.950 84 HD12 ILE 11 HD12 ILE 11 -9.472 -7.070 2.255 85 HD13 ILE 11 HD13 ILE 11 -9.850 -6.619 3.912 86 H LYS 12 HN LYS 12 -6.917 -10.856 6.890 87 HA LYS 12 HA LYS 12 -7.950 -10.443 9.632 88 HB2 LYS 12 HB2 LYS 12 -5.226 -11.464 8.774 89 HB3 LYS 12 HB1 LYS 12 -5.974 -11.630 10.362 90 HG2 LYS 12 HG2 LYS 12 -7.777 -13.001 9.354 91 HG3 LYS 12 HG1 LYS 12 -6.986 -12.867 7.784 92 HD2 LYS 12 HD2 LYS 12 -4.996 -13.707 9.619 93 HD3 LYS 12 HD1 LYS 12 -6.419 -14.704 9.927 94 HE2 LYS 12 HE2 LYS 12 -5.170 -14.250 7.200 95 HE3 LYS 12 HE1 LYS 12 -4.961 -15.700 8.183 96 HZ1 LYS 12 HZ1 LYS 12 -6.888 -16.476 7.459 97 HZ2 LYS 12 HZ2 LYS 12 -7.012 -15.149 6.404 98 HZ3 LYS 12 HZ3 LYS 12 -7.705 -15.074 7.954 99 H VAL 13 HN VAL 13 -5.712 -9.071 7.327 100 HA VAL 13 HA VAL 13 -5.204 -6.817 9.212 101 HB VAL 13 HB VAL 13 -3.096 -7.589 7.271 102 HG11 VAL 13 HG11 VAL 13 -2.990 -5.552 8.731 103 HG12 VAL 13 HG12 VAL 13 -1.639 -6.659 8.979 104 HG13 VAL 13 HG13 VAL 13 -2.970 -6.617 10.137 105 HG21 VAL 13 HG21 VAL 13 -3.751 -9.086 9.810 106 HG22 VAL 13 HG22 VAL 13 -2.121 -9.070 9.138 107 HG23 VAL 13 HG23 VAL 13 -3.453 -9.749 8.202 108 H TYR 14 HN TYR 14 -5.168 -4.771 8.151 109 HA TYR 14 HA TYR 14 -6.477 -4.803 5.536 110 HB2 TYR 14 HB2 TYR 14 -5.807 -2.732 7.566 111 HB3 TYR 14 HB1 TYR 14 -6.125 -2.218 5.914 112 HD1 TYR 14 HD1 TYR 14 -7.721 -5.214 7.466 113 HD2 TYR 14 HD2 TYR 14 -8.210 -1.085 6.375 114 HE1 TYR 14 HE1 TYR 14 -10.155 -5.398 7.844 115 HE2 TYR 14 HE2 TYR 14 -10.647 -1.274 6.757 116 HH TYR 14 HH TYR 14 -12.077 -3.398 8.480 117 H GLY 15 HN GLY 15 -5.067 -5.425 3.991 118 HA2 GLY 15 HA2 GLY 15 -2.365 -4.343 3.788 119 HA3 GLY 15 HA1 GLY 15 -3.147 -5.394 2.603 120 H ARG 16 HN ARG 16 -2.572 -2.148 3.576 121 HA ARG 16 HA ARG 16 -4.465 -0.963 1.678 122 HB2 ARG 16 HB2 ARG 16 -3.854 0.144 3.827 123 HB3 ARG 16 HB1 ARG 16 -2.204 0.320 3.246 124 HG2 ARG 16 HG2 ARG 16 -3.352 2.414 2.877 125 HG3 ARG 16 HG1 ARG 16 -3.084 1.664 1.310 126 HD2 ARG 16 HD2 ARG 16 -5.306 1.492 0.911 127 HD3 ARG 16 HD1 ARG 16 -5.627 0.840 2.517 128 HE ARG 16 HE ARG 16 -5.071 3.623 2.768 129 HH11 ARG 16 HH21 ARG 16 -7.376 1.409 1.475 130 HH12 ARG 16 HH22 ARG 16 -8.724 2.473 1.701 131 HH21 ARG 16 HH11 ARG 16 -6.817 5.020 3.078 132 HH22 ARG 16 HH12 ARG 16 -8.405 4.518 2.610 133 H MET 17 HN MET 17 -4.009 0.040 -0.246 134 HA MET 17 HA MET 17 -1.231 -0.210 -1.301 135 HB2 MET 17 HB2 MET 17 -3.538 -0.546 -3.165 136 HB3 MET 17 HB1 MET 17 -1.928 -1.258 -3.239 137 HG2 MET 17 HG2 MET 17 -2.572 -2.639 -1.201 138 HG3 MET 17 HG1 MET 17 -4.217 -2.056 -1.430 139 HE1 MET 17 HE1 MET 17 -1.635 -3.534 -4.602 140 HE2 MET 17 HE2 MET 17 -1.665 -4.959 -3.571 141 HE3 MET 17 HE3 MET 17 -1.186 -3.408 -2.898 142 H ILE 18 HN ILE 18 -0.508 1.661 -2.195 143 HA ILE 18 HA ILE 18 -2.493 3.801 -2.807 144 HB ILE 18 HB ILE 18 -0.141 5.145 -2.595 145 HG12 ILE 18 HG12 ILE 18 0.047 2.892 -0.590 146 HG13 ILE 18 HG11 ILE 18 1.051 3.061 -2.034 147 HG21 ILE 18 HG21 ILE 18 -2.264 5.619 -1.368 148 HG22 ILE 18 HG22 ILE 18 -0.859 5.739 -0.311 149 HG23 ILE 18 HG23 ILE 18 -1.887 4.307 -0.252 150 HD11 ILE 18 HD11 ILE 18 1.089 5.551 -0.642 151 HD12 ILE 18 HD12 ILE 18 2.431 4.442 -0.927 152 HD13 ILE 18 HD13 ILE 18 1.438 4.271 0.520 153 HA PRO 19 HA PRO 19 -2.022 5.917 -3.672 154 HB2 PRO 19 HB2 PRO 19 -2.856 7.246 -5.870 155 HB3 PRO 19 HB1 PRO 19 -1.171 7.311 -5.315 156 HG2 PRO 19 HG2 PRO 19 -2.368 5.791 -7.562 157 HG3 PRO 19 HG1 PRO 19 -0.771 6.543 -7.426 158 HD2 PRO 19 HD2 PRO 19 -1.312 3.815 -7.076 159 HD3 PRO 19 HD1 PRO 19 0.159 4.651 -6.542 160 H CYS 20 HN CYS 20 -3.217 3.340 -5.415 161 HA CYS 20 HA CYS 20 -5.872 3.985 -6.059 162 HB2 CYS 20 HB2 CYS 20 -4.652 1.756 -6.395 163 HB3 CYS 20 HB1 CYS 20 -5.061 1.395 -4.719 164 H LYS 21 HN LYS 21 -4.399 3.293 -2.935 165 HA LYS 21 HA LYS 21 -5.172 3.757 -0.773 166 HB2 LYS 21 HB2 LYS 21 -6.395 5.698 -2.357 167 HB3 LYS 21 HB1 LYS 21 -7.751 4.934 -1.525 168 HG2 LYS 21 HG2 LYS 21 -6.606 5.268 0.637 169 HG3 LYS 21 HG1 LYS 21 -5.261 6.043 -0.199 170 HD2 LYS 21 HD2 LYS 21 -7.819 7.209 -0.966 171 HD3 LYS 21 HD1 LYS 21 -7.544 7.319 0.772 172 HE2 LYS 21 HE2 LYS 21 -5.514 8.155 -1.314 173 HE3 LYS 21 HE1 LYS 21 -6.619 9.270 -0.511 174 HZ1 LYS 21 HZ1 LYS 21 -4.214 8.062 0.472 175 HZ2 LYS 21 HZ2 LYS 21 -5.523 7.856 1.535 176 HZ3 LYS 21 HZ3 LYS 21 -5.057 9.416 1.048 177 H HIS 22 HN HIS 22 -5.830 1.388 -2.373 178 HA HIS 22 HA HIS 22 -8.523 0.664 -1.346 179 HB2 HIS 22 HB2 HIS 22 -6.688 -0.534 -3.413 180 HB3 HIS 22 HB1 HIS 22 -8.060 -1.437 -2.769 181 HD2 HIS 22 HD2 HIS 22 -9.081 2.215 -2.997 182 HE1 HIS 22 HE1 HIS 22 -10.296 0.474 -6.647 183 HE2 HIS 22 HE2 HIS 22 -10.508 2.516 -5.158 184 H VAL 23 HN VAL 23 -8.716 -1.601 -0.414 185 HA VAL 23 HA VAL 23 -6.275 -2.289 1.162 186 HB VAL 23 HB VAL 23 -8.853 -3.097 2.293 187 HG11 VAL 23 HG11 VAL 23 -7.760 -2.677 4.327 188 HG12 VAL 23 HG12 VAL 23 -6.641 -1.524 3.598 189 HG13 VAL 23 HG13 VAL 23 -6.469 -3.252 3.275 190 HG21 VAL 23 HG21 VAL 23 -9.239 -0.788 3.231 191 HG22 VAL 23 HG22 VAL 23 -9.548 -0.916 1.500 192 HG23 VAL 23 HG23 VAL 23 -8.052 -0.182 2.078 193 H PHE 24 HN PHE 24 -6.183 -4.526 1.862 194 HA PHE 24 HA PHE 24 -7.886 -6.538 0.626 195 HB2 PHE 24 HB2 PHE 24 -5.009 -6.261 -0.307 196 HB3 PHE 24 HB1 PHE 24 -6.066 -7.622 -0.671 197 HD1 PHE 24 HD1 PHE 24 -5.386 -4.073 -1.295 198 HD2 PHE 24 HD2 PHE 24 -7.894 -7.413 -2.264 199 HE1 PHE 24 HE1 PHE 24 -6.252 -2.840 -3.254 200 HE2 PHE 24 HE2 PHE 24 -8.771 -6.185 -4.226 201 HZ PHE 24 HZ PHE 24 -7.947 -3.901 -4.737 202 H CYS 25 HN CYS 25 -6.121 -8.675 0.811 203 HA CYS 25 HA CYS 25 -5.727 -8.831 3.730 204 HB2 CYS 25 HB2 CYS 25 -4.676 -11.150 2.629 205 HB3 CYS 25 HB1 CYS 25 -6.343 -10.958 3.176 206 H TYR 26 HN TYR 26 -3.834 -7.947 4.498 207 HA TYR 26 HA TYR 26 -1.657 -7.120 2.980 208 HB2 TYR 26 HB2 TYR 26 -2.021 -6.634 5.417 209 HB3 TYR 26 HB1 TYR 26 -1.447 -8.261 5.773 210 HD1 TYR 26 HD1 TYR 26 -0.334 -5.360 3.600 211 HD2 TYR 26 HD2 TYR 26 0.758 -8.394 6.441 212 HE1 TYR 26 HE1 TYR 26 2.013 -4.581 3.536 213 HE2 TYR 26 HE2 TYR 26 3.107 -7.612 6.372 214 HH TYR 26 HH TYR 26 4.053 -4.820 4.368 215 H ASP 27 HN ASP 27 -2.623 -10.329 3.560 216 HA ASP 27 HA ASP 27 0.027 -11.505 3.185 217 HB2 ASP 27 HB2 ASP 27 -2.747 -12.732 3.082 218 HB3 ASP 27 HB1 ASP 27 -1.243 -13.650 2.995 219 H CYS 28 HN CYS 28 -2.887 -10.971 1.239 220 HA CYS 28 HA CYS 28 -1.557 -12.013 -1.156 221 HB2 CYS 28 HB2 CYS 28 -4.169 -10.482 -0.968 222 HB3 CYS 28 HB1 CYS 28 -3.617 -11.460 -2.324 223 H ALA 29 HN ALA 29 -1.995 -9.013 0.495 224 HA ALA 29 HA ALA 29 -1.489 -7.292 -1.756 225 HB1 ALA 29 HB1 ALA 29 -0.669 -6.424 0.974 226 HB2 ALA 29 HB2 ALA 29 -2.372 -6.831 0.762 227 HB3 ALA 29 HB3 ALA 29 -1.637 -5.571 -0.229 228 H ILE 30 HN ILE 30 0.533 -8.936 0.664 229 HA ILE 30 HA ILE 30 2.948 -7.666 -0.317 230 HB ILE 30 HB ILE 30 4.146 -9.216 1.112 231 HG12 ILE 30 HG12 ILE 30 1.502 -10.527 1.727 232 HG13 ILE 30 HG11 ILE 30 2.673 -11.234 0.625 233 HG21 ILE 30 HG21 ILE 30 1.829 -7.656 2.005 234 HG22 ILE 30 HG22 ILE 30 3.499 -7.612 2.553 235 HG23 ILE 30 HG23 ILE 30 2.400 -8.837 3.178 236 HD11 ILE 30 HD11 ILE 30 3.111 -10.605 3.551 237 HD12 ILE 30 HD12 ILE 30 4.368 -11.175 2.453 238 HD13 ILE 30 HD13 ILE 30 2.989 -12.208 2.826 239 H LEU 31 HN LEU 31 1.218 -10.705 -0.933 240 HA LEU 31 HA LEU 31 3.218 -11.958 -2.521 241 HB2 LEU 31 HB2 LEU 31 0.213 -11.969 -2.618 242 HB3 LEU 31 HB1 LEU 31 1.121 -12.755 -3.907 243 HG LEU 31 HG LEU 31 1.831 -13.338 -1.046 244 HD11 LEU 31 HD11 LEU 31 0.198 -15.412 -1.610 245 HD12 LEU 31 HD12 LEU 31 -0.653 -14.135 -2.478 246 HD13 LEU 31 HD13 LEU 31 -0.351 -13.977 -0.746 247 HD21 LEU 31 HD21 LEU 31 1.722 -15.374 -3.221 248 HD22 LEU 31 HD22 LEU 31 2.922 -15.152 -1.948 249 HD23 LEU 31 HD23 LEU 31 2.948 -14.116 -3.374 250 H HIS 32 HN HIS 32 0.915 -9.388 -3.249 251 HA HIS 32 HA HIS 32 1.582 -9.151 -6.034 252 HB2 HIS 32 HB2 HIS 32 0.140 -7.500 -4.020 253 HB3 HIS 32 HB1 HIS 32 0.736 -6.670 -5.458 254 HD1 HIS 32 HD1 HIS 32 -0.158 -7.525 -7.790 255 HD2 HIS 32 HD2 HIS 32 -2.018 -9.255 -4.482 256 HE1 HIS 32 HE1 HIS 32 -2.234 -8.688 -8.662 257 HE2 HIS 32 HE2 HIS 32 -3.375 -9.743 -6.657 258 H GLU 33 HN GLU 33 2.809 -7.552 -3.095 259 HA GLU 33 HA GLU 33 4.567 -5.758 -4.449 260 HB2 GLU 33 HB2 GLU 33 5.169 -5.107 -2.368 261 HB3 GLU 33 HB1 GLU 33 3.928 -6.214 -1.809 262 HG2 GLU 33 HG2 GLU 33 5.688 -8.029 -1.739 263 HG3 GLU 33 HG1 GLU 33 6.892 -6.784 -2.082 264 H LYS 34 HN LYS 34 4.885 -9.133 -3.525 265 HA LYS 34 HA LYS 34 7.708 -9.262 -4.248 266 HB2 LYS 34 HB2 LYS 34 5.596 -11.225 -3.436 267 HB3 LYS 34 HB1 LYS 34 7.033 -11.834 -4.260 268 HG2 LYS 34 HG2 LYS 34 8.453 -11.219 -2.539 269 HG3 LYS 34 HG1 LYS 34 7.410 -9.901 -2.008 270 HD2 LYS 34 HD2 LYS 34 5.836 -11.456 -1.028 271 HD3 LYS 34 HD1 LYS 34 6.705 -12.832 -1.708 272 HE2 LYS 34 HE2 LYS 34 8.074 -10.885 0.145 273 HE3 LYS 34 HE1 LYS 34 7.149 -12.248 0.774 274 HZ1 LYS 34 HZ1 LYS 34 8.539 -13.770 -0.350 275 HZ2 LYS 34 HZ2 LYS 34 9.575 -12.667 0.423 276 HZ3 LYS 34 HZ3 LYS 34 9.295 -12.545 -1.248 277 H LYS 35 HN LYS 35 4.682 -9.437 -5.924 278 HA LYS 35 HA LYS 35 5.769 -10.896 -8.204 279 HB2 LYS 35 HB2 LYS 35 3.161 -9.479 -7.704 280 HB3 LYS 35 HB1 LYS 35 3.563 -10.161 -9.278 281 HG2 LYS 35 HG2 LYS 35 3.628 -12.365 -8.447 282 HG3 LYS 35 HG1 LYS 35 3.789 -11.825 -6.776 283 HD2 LYS 35 HD2 LYS 35 1.543 -11.501 -6.527 284 HD3 LYS 35 HD1 LYS 35 1.346 -10.907 -8.176 285 HE2 LYS 35 HE2 LYS 35 1.273 -13.098 -9.077 286 HE3 LYS 35 HE1 LYS 35 1.933 -13.813 -7.607 287 HZ1 LYS 35 HZ1 LYS 35 -0.690 -13.669 -8.217 288 HZ2 LYS 35 HZ2 LYS 35 -0.498 -12.328 -7.193 289 HZ3 LYS 35 HZ3 LYS 35 -0.068 -13.881 -6.654 290 H GLY 36 HN GLY 36 5.271 -7.542 -7.312 291 HA2 GLY 36 HA2 GLY 36 7.196 -6.515 -9.099 292 HA3 GLY 36 HA1 GLY 36 5.640 -6.417 -9.928 293 H ASP 37 HN ASP 37 4.262 -6.085 -7.276 294 HA ASP 37 HA ASP 37 3.557 -4.295 -5.921 295 HB2 ASP 37 HB2 ASP 37 6.189 -4.458 -5.471 296 HB3 ASP 37 HB1 ASP 37 6.176 -2.893 -6.278 297 H LYS 38 HN LYS 38 2.706 -4.063 -8.508 298 HA LYS 38 HA LYS 38 2.643 -1.146 -8.828 299 HB2 LYS 38 HB2 LYS 38 3.284 -1.314 -11.229 300 HB3 LYS 38 HB1 LYS 38 4.596 -1.648 -10.099 301 HG2 LYS 38 HG2 LYS 38 4.326 -4.039 -10.396 302 HG3 LYS 38 HG1 LYS 38 2.890 -3.793 -11.389 303 HD2 LYS 38 HD2 LYS 38 5.400 -2.426 -12.244 304 HD3 LYS 38 HD1 LYS 38 5.300 -4.170 -12.485 305 HE2 LYS 38 HE2 LYS 38 2.986 -2.449 -13.311 306 HE3 LYS 38 HE1 LYS 38 4.408 -2.533 -14.350 307 HZ1 LYS 38 HZ1 LYS 38 2.542 -4.229 -14.702 308 HZ2 LYS 38 HZ2 LYS 38 3.149 -4.989 -13.309 309 HZ3 LYS 38 HZ3 LYS 38 4.140 -4.796 -14.676 310 H MET 39 HN MET 39 0.940 -3.893 -8.680 311 HA MET 39 HA MET 39 -1.193 -2.766 -10.391 312 HB2 MET 39 HB2 MET 39 -1.654 -4.882 -11.476 313 HB3 MET 39 HB1 MET 39 0.041 -4.473 -11.746 314 HG2 MET 39 HG2 MET 39 0.346 -5.851 -9.478 315 HG3 MET 39 HG1 MET 39 -1.143 -6.614 -10.035 316 HE1 MET 39 HE1 MET 39 -1.544 -7.135 -12.400 317 HE2 MET 39 HE2 MET 39 -0.403 -7.964 -13.456 318 HE3 MET 39 HE3 MET 39 -0.462 -6.204 -13.445 319 H CYS 40 HN CYS 40 -2.848 -2.504 -9.022 320 HA CYS 40 HA CYS 40 -3.136 -3.736 -6.506 321 HB2 CYS 40 HB2 CYS 40 -4.480 -1.772 -7.865 322 HB3 CYS 40 HB1 CYS 40 -5.680 -3.062 -7.835 323 HA PRO 41 HA PRO 41 -4.398 -7.928 -7.425 324 HB2 PRO 41 HB2 PRO 41 -6.574 -7.619 -5.432 325 HB3 PRO 41 HB1 PRO 41 -5.283 -8.832 -5.514 326 HG2 PRO 41 HG2 PRO 41 -5.283 -6.808 -3.743 327 HG3 PRO 41 HG1 PRO 41 -3.803 -7.525 -4.398 328 HD2 PRO 41 HD2 PRO 41 -5.018 -4.885 -4.978 329 HD3 PRO 41 HD1 PRO 41 -3.330 -5.422 -5.115 330 H GLY 42 HN GLY 42 -7.013 -5.561 -7.015 331 HA2 GLY 42 HA2 GLY 42 -8.502 -6.966 -9.224 332 HA3 GLY 42 HA1 GLY 42 -9.316 -6.199 -7.868 333 H CYS 43 HN CYS 43 -7.232 -3.958 -8.046 334 HA CYS 43 HA CYS 43 -8.730 -2.410 -10.069 335 HB2 CYS 43 HB2 CYS 43 -6.649 -1.025 -8.532 336 HB3 CYS 43 HB1 CYS 43 -8.356 -0.624 -8.729 337 H SER 44 HN SER 44 -5.707 -3.991 -9.719 338 HA SER 44 HA SER 44 -3.735 -3.916 -11.005 339 HB2 SER 44 HB2 SER 44 -4.128 -4.139 -13.303 340 HB3 SER 44 HB1 SER 44 -5.687 -4.590 -12.620 341 HG SER 44 HG SER 44 -5.524 -2.907 -14.399 342 H ASP 45 HN ASP 45 -4.360 -1.478 -9.583 343 HA ASP 45 HA ASP 45 -3.693 0.696 -11.460 344 HB2 ASP 45 HB2 ASP 45 -4.881 0.490 -8.803 345 HB3 ASP 45 HB1 ASP 45 -3.611 1.712 -8.856 346 HA PRO 46 HA PRO 46 0.635 0.705 -10.748 347 HB2 PRO 46 HB2 PRO 46 1.128 3.372 -10.064 348 HB3 PRO 46 HB1 PRO 46 0.978 2.744 -11.713 349 HG2 PRO 46 HG2 PRO 46 -1.023 4.160 -10.043 350 HG3 PRO 46 HG1 PRO 46 -0.738 4.248 -11.788 351 HD2 PRO 46 HD2 PRO 46 -2.819 2.855 -10.743 352 HD3 PRO 46 HD1 PRO 46 -1.990 2.339 -12.228 353 H VAL 47 HN VAL 47 0.103 -0.610 -8.720 354 HA VAL 47 HA VAL 47 -0.177 0.386 -6.126 355 HB VAL 47 HB VAL 47 1.654 -1.883 -6.932 356 HG11 VAL 47 HG11 VAL 47 2.013 -1.308 -4.641 357 HG12 VAL 47 HG12 VAL 47 0.949 -2.714 -4.650 358 HG13 VAL 47 HG13 VAL 47 0.284 -1.107 -4.359 359 HG21 VAL 47 HG21 VAL 47 -1.283 -1.908 -6.223 360 HG22 VAL 47 HG22 VAL 47 -0.308 -3.289 -6.732 361 HG23 VAL 47 HG23 VAL 47 -0.662 -1.986 -7.865 362 H GLN 48 HN GLN 48 0.954 2.353 -5.785 363 HA GLN 48 HA GLN 48 3.735 2.720 -6.356 364 HB2 GLN 48 HB2 GLN 48 2.426 4.692 -6.007 365 HB3 GLN 48 HB1 GLN 48 1.837 4.107 -4.450 366 HG2 GLN 48 HG2 GLN 48 3.763 4.684 -3.353 367 HG3 GLN 48 HG1 GLN 48 4.787 4.331 -4.745 368 HE21 GLN 48 HE21 GLN 48 2.628 6.800 -3.344 369 HE22 GLN 48 HE22 GLN 48 3.195 8.078 -4.306 370 H ARG 49 HN ARG 49 2.122 2.259 -3.196 371 HA ARG 49 HA ARG 49 4.277 0.409 -2.443 372 HB2 ARG 49 HB2 ARG 49 5.492 1.920 -1.307 373 HB3 ARG 49 HB1 ARG 49 4.312 3.175 -1.656 374 HG2 ARG 49 HG2 ARG 49 2.988 2.523 0.305 375 HG3 ARG 49 HG1 ARG 49 4.106 1.194 0.636 376 HD2 ARG 49 HD2 ARG 49 5.117 4.019 0.419 377 HD3 ARG 49 HD1 ARG 49 4.422 3.429 1.929 378 HE ARG 49 HE ARG 49 6.282 1.484 1.202 379 HH11 ARG 49 HH21 ARG 49 6.237 4.887 1.757 380 HH12 ARG 49 HH22 ARG 49 7.873 4.951 2.322 381 HH21 ARG 49 HH11 ARG 49 8.419 1.548 1.937 382 HH22 ARG 49 HH12 ARG 49 9.108 3.060 2.424 383 H ILE 50 HN ILE 50 3.563 -1.116 -0.979 384 HA ILE 50 HA ILE 50 0.726 -0.914 -0.188 385 HB ILE 50 HB ILE 50 2.460 -3.288 0.374 386 HG12 ILE 50 HG12 ILE 50 1.294 -2.453 -2.289 387 HG13 ILE 50 HG11 ILE 50 2.980 -2.799 -1.918 388 HG21 ILE 50 HG21 ILE 50 0.024 -3.007 1.118 389 HG22 ILE 50 HG22 ILE 50 0.409 -4.480 0.232 390 HG23 ILE 50 HG23 ILE 50 -0.394 -3.144 -0.588 391 HD11 ILE 50 HD11 ILE 50 1.984 -5.127 -1.146 392 HD12 ILE 50 HD12 ILE 50 2.357 -4.830 -2.845 393 HD13 ILE 50 HD13 ILE 50 0.695 -4.696 -2.269 394 H GLU 51 HN GLU 51 0.076 -1.094 1.936 395 HA GLU 51 HA GLU 51 2.173 -1.101 4.034 396 HB2 GLU 51 HB2 GLU 51 -0.004 0.996 3.849 397 HB3 GLU 51 HB1 GLU 51 1.213 0.867 5.123 398 HG2 GLU 51 HG2 GLU 51 2.984 1.065 3.347 399 HG3 GLU 51 HG1 GLU 51 1.702 1.411 2.186 400 H GLN 52 HN GLN 52 1.462 -1.883 6.026 401 HA GLN 52 HA GLN 52 -1.122 -3.334 5.913 402 HB2 GLN 52 HB2 GLN 52 -0.237 -4.851 7.431 403 HB3 GLN 52 HB1 GLN 52 1.229 -4.339 6.600 404 HG2 GLN 52 HG2 GLN 52 1.391 -2.511 8.426 405 HG3 GLN 52 HG1 GLN 52 0.219 -3.489 9.313 406 HE21 GLN 52 HE21 GLN 52 0.921 -5.559 10.144 407 HE22 GLN 52 HE22 GLN 52 2.552 -6.027 10.135 408 H CYS 53 HN CYS 53 -2.741 -3.000 7.491 409 HA CYS 53 HA CYS 53 -2.233 -0.995 9.600 410 HB2 CYS 53 HB2 CYS 53 -3.583 -0.416 7.113 411 HB3 CYS 53 HB1 CYS 53 -4.692 -0.224 8.470 412 H THR 54 HN THR 54 -4.228 -0.762 11.015 413 HA THR 54 HA THR 54 -5.347 -3.432 11.510 414 HB THR 54 HB THR 54 -6.569 -1.687 13.284 415 HG1 THR 54 HG1 THR 54 -4.760 -0.396 13.962 416 HG21 THR 54 HG21 THR 54 -4.881 -2.539 14.888 417 HG22 THR 54 HG22 THR 54 -3.916 -3.130 13.534 418 HG23 THR 54 HG23 THR 54 -5.508 -3.819 13.851 419 H ARG 55 HN ARG 55 -7.664 -3.807 11.605 420 HA ARG 55 HA ARG 55 -9.104 -2.779 9.401 421 HB2 ARG 55 HB2 ARG 55 -11.028 -3.916 10.291 422 HB3 ARG 55 HB1 ARG 55 -9.619 -4.897 10.697 423 HG2 ARG 55 HG2 ARG 55 -9.680 -3.297 12.871 424 HG3 ARG 55 HG1 ARG 55 -11.400 -3.316 12.475 425 HD2 ARG 55 HD2 ARG 55 -11.152 -5.183 13.891 426 HD3 ARG 55 HD1 ARG 55 -11.102 -5.890 12.275 427 HE ARG 55 HE ARG 55 -8.441 -5.219 13.124 428 HH11 ARG 55 HH21 ARG 55 -11.058 -7.402 13.645 429 HH12 ARG 55 HH22 ARG 55 -10.042 -8.709 14.150 430 HH21 ARG 55 HH11 ARG 55 -7.099 -6.914 13.782 431 HH22 ARG 55 HH12 ARG 55 -7.799 -8.434 14.227 432 H GLY 56 HN GLY 56 -8.680 -1.469 12.585 433 HA2 GLY 56 HA2 GLY 56 -10.885 0.478 12.151 434 HA3 GLY 56 HA1 GLY 56 -10.004 0.247 13.660 435 H SER 57 HN SER 57 -8.141 0.396 10.727 436 HA SER 57 HA SER 57 -7.032 2.987 11.661 437 HB2 SER 57 HB2 SER 57 -5.774 0.712 10.829 438 HB3 SER 57 HB1 SER 57 -5.797 1.649 9.339 439 HG SER 57 HG SER 57 -5.121 2.999 11.671 440 H LEU 58 HN LEU 58 -8.843 1.576 9.044 441 HA LEU 58 HA LEU 58 -8.731 4.178 7.564 442 HB2 LEU 58 HB2 LEU 58 -9.642 1.553 6.393 443 HB3 LEU 58 HB1 LEU 58 -9.076 2.995 5.552 444 HG LEU 58 HG LEU 58 -7.377 1.179 7.298 445 HD11 LEU 58 HD11 LEU 58 -6.578 0.218 5.358 446 HD12 LEU 58 HD12 LEU 58 -6.837 1.677 4.405 447 HD13 LEU 58 HD13 LEU 58 -8.199 0.625 4.792 448 HD21 LEU 58 HD21 LEU 58 -6.255 3.182 7.529 449 HD22 LEU 58 HD22 LEU 58 -6.962 3.868 6.067 450 HD23 LEU 58 HD23 LEU 58 -5.626 2.726 5.948 451 H PHE 59 HN PHE 59 -10.849 4.513 6.256 452 HA PHE 59 HA PHE 59 -13.185 3.768 7.975 453 HB2 PHE 59 HB2 PHE 59 -12.755 6.364 6.471 454 HB3 PHE 59 HB1 PHE 59 -14.150 5.964 7.476 455 HD1 PHE 59 HD2 PHE 59 -10.455 6.455 7.551 456 HD2 PHE 59 HD1 PHE 59 -14.089 6.242 9.830 457 HE1 PHE 59 HE2 PHE 59 -9.241 7.251 9.561 458 HE2 PHE 59 HE1 PHE 59 -12.875 7.039 11.841 459 HZ PHE 59 HZ PHE 59 -10.451 7.543 11.706 460 H MET 60 HN MET 60 -14.661 2.578 6.875 461 HA MET 60 HA MET 60 -14.435 2.369 3.945 462 HB2 MET 60 HB2 MET 60 -16.197 0.913 5.934 463 HB3 MET 60 HB1 MET 60 -16.108 0.548 4.210 464 HG2 MET 60 HG2 MET 60 -13.529 0.666 5.695 465 HG3 MET 60 HG1 MET 60 -14.574 -0.717 6.016 466 HE1 MET 60 HE1 MET 60 -13.914 -2.860 4.777 467 HE2 MET 60 HE2 MET 60 -12.487 -1.965 5.292 468 HE3 MET 60 HE3 MET 60 -12.519 -2.718 3.700 469 H CYS 61 HN CYS 61 -16.059 2.904 2.482 470 HA CYS 61 HA CYS 61 -18.022 4.910 3.432 471 HB2 CYS 61 HB2 CYS 61 -16.705 5.426 1.406 472 HB3 CYS 61 HB1 CYS 61 -17.340 3.981 0.620 473 H SER 62 HN SER 62 -20.268 4.592 3.290 474 HA SER 62 HA SER 62 -21.156 1.814 3.250 475 HB2 SER 62 HB2 SER 62 -23.344 3.677 3.135 476 HB3 SER 62 HB1 SER 62 -22.836 2.660 4.481 477 HG SER 62 HG SER 62 -22.276 5.322 3.916 478 H ILE 63 HN ILE 63 -22.221 4.658 1.378 479 HA ILE 63 HA ILE 63 -23.730 3.417 -0.581 480 HB ILE 63 HB ILE 63 -21.741 5.668 -1.013 481 HG12 ILE 63 HG12 ILE 63 -24.613 6.248 -0.690 482 HG13 ILE 63 HG11 ILE 63 -23.844 5.603 0.758 483 HG21 ILE 63 HG21 ILE 63 -23.455 6.313 -2.785 484 HG22 ILE 63 HG22 ILE 63 -24.140 4.700 -2.585 485 HG23 ILE 63 HG23 ILE 63 -22.481 4.889 -3.153 486 HD11 ILE 63 HD11 ILE 63 -23.691 8.072 0.680 487 HD12 ILE 63 HD12 ILE 63 -22.831 7.960 -0.856 488 HD13 ILE 63 HD13 ILE 63 -22.096 7.323 0.615 489 H VAL 64 HN VAL 64 -23.273 1.753 -1.932 490 HA VAL 64 HA VAL 64 -20.445 1.110 -2.513 491 HB VAL 64 HB VAL 64 -22.158 -0.627 -1.778 492 HG11 VAL 64 HG11 VAL 64 -23.964 -1.148 -3.061 493 HG12 VAL 64 HG12 VAL 64 -23.098 -0.886 -4.572 494 HG13 VAL 64 HG13 VAL 64 -23.754 0.488 -3.681 495 HG21 VAL 64 HG21 VAL 64 -21.420 -1.959 -4.138 496 HG22 VAL 64 HG22 VAL 64 -20.521 -1.929 -2.620 497 HG23 VAL 64 HG23 VAL 64 -20.158 -0.754 -3.884 498 H GLN 65 HN GLN 65 -21.414 -0.247 -5.081 499 HA GLN 65 HA GLN 65 -21.467 0.289 -7.361 500 HB2 GLN 65 HB2 GLN 65 -23.577 1.532 -6.394 501 HB3 GLN 65 HB1 GLN 65 -22.611 2.982 -6.678 502 HG2 GLN 65 HG2 GLN 65 -22.279 2.270 -9.037 503 HG3 GLN 65 HG1 GLN 65 -23.319 0.875 -8.742 504 HE21 GLN 65 HE21 GLN 65 -25.621 1.250 -8.512 505 HE22 GLN 65 HE22 GLN 65 -26.328 2.749 -8.874 506 H GLY 66 HN GLY 66 -19.270 0.523 -7.816 507 HA2 GLY 66 HA2 GLY 66 -17.209 1.618 -8.141 508 HA3 GLY 66 HA1 GLY 66 -18.226 2.947 -8.703 509 H CYS 67 HN CYS 67 -17.485 1.470 -5.522 510 HA CYS 67 HA CYS 67 -16.518 4.093 -4.564 511 HB2 CYS 67 HB2 CYS 67 -18.926 4.209 -4.143 512 HB3 CYS 67 HB1 CYS 67 -18.882 2.646 -3.332 513 H LYS 68 HN LYS 68 -17.512 2.235 -1.979 514 HA LYS 68 HA LYS 68 -16.242 1.071 -0.376 515 HB2 LYS 68 HB2 LYS 68 -15.632 -0.292 -2.995 516 HB3 LYS 68 HB1 LYS 68 -14.899 -0.856 -1.493 517 HG2 LYS 68 HG2 LYS 68 -17.145 -1.094 -0.489 518 HG3 LYS 68 HG1 LYS 68 -17.873 -0.559 -2.004 519 HD2 LYS 68 HD2 LYS 68 -17.683 -2.616 -2.904 520 HD3 LYS 68 HD1 LYS 68 -15.975 -2.704 -2.471 521 HE2 LYS 68 HE2 LYS 68 -17.408 -4.479 -1.389 522 HE3 LYS 68 HE1 LYS 68 -16.503 -3.483 -0.249 523 HZ1 LYS 68 HZ1 LYS 68 -19.375 -3.538 -0.802 524 HZ2 LYS 68 HZ2 LYS 68 -18.680 -2.045 -0.381 525 HZ3 LYS 68 HZ3 LYS 68 -18.560 -3.370 0.676 526 H ARG 69 HN ARG 69 -15.028 3.521 -1.495 527 HA ARG 69 HA ARG 69 -12.153 2.867 -1.631 528 HB2 ARG 69 HB2 ARG 69 -13.765 5.388 -2.012 529 HB3 ARG 69 HB1 ARG 69 -12.010 5.445 -1.847 530 HG2 ARG 69 HG2 ARG 69 -13.020 3.418 -3.750 531 HG3 ARG 69 HG1 ARG 69 -13.295 5.095 -4.227 532 HD2 ARG 69 HD2 ARG 69 -10.614 3.972 -3.363 533 HD3 ARG 69 HD1 ARG 69 -11.103 4.218 -5.039 534 HE ARG 69 HE ARG 69 -10.339 6.319 -3.137 535 HH11 ARG 69 HH21 ARG 69 -11.974 5.431 -6.045 536 HH12 ARG 69 HH22 ARG 69 -11.880 7.016 -6.736 537 HH21 ARG 69 HH11 ARG 69 -10.212 8.392 -4.027 538 HH22 ARG 69 HH12 ARG 69 -10.884 8.692 -5.594 539 H THR 70 HN THR 70 -11.057 2.682 0.274 540 HA THR 70 HA THR 70 -12.174 3.842 2.725 541 HB THR 70 HB THR 70 -9.599 2.895 3.286 542 HG1 THR 70 HG1 THR 70 -10.922 1.398 1.285 543 HG21 THR 70 HG21 THR 70 -12.292 1.526 3.453 544 HG22 THR 70 HG22 THR 70 -11.548 2.540 4.690 545 HG23 THR 70 HG23 THR 70 -10.835 0.979 4.283 546 H TYR 71 HN TYR 71 -10.445 4.952 4.215 547 HA TYR 71 HA TYR 71 -8.475 6.573 2.791 548 HB2 TYR 71 HB2 TYR 71 -10.938 7.816 4.032 549 HB3 TYR 71 HB1 TYR 71 -9.486 8.727 3.634 550 HD1 TYR 71 HD2 TYR 71 -12.324 6.810 2.251 551 HD2 TYR 71 HD1 TYR 71 -8.855 9.171 1.335 552 HE1 TYR 71 HE2 TYR 71 -13.071 6.991 -0.108 553 HE2 TYR 71 HE1 TYR 71 -9.601 9.352 -1.024 554 HH TYR 71 HH TYR 71 -12.713 8.000 -2.075 555 H LEU 72 HN LEU 72 -8.023 8.473 4.759 556 HA LEU 72 HA LEU 72 -7.411 6.796 7.149 557 HB2 LEU 72 HB2 LEU 72 -5.732 9.153 6.857 558 HB3 LEU 72 HB1 LEU 72 -5.263 7.467 7.061 559 HG LEU 72 HG LEU 72 -6.111 8.746 4.440 560 HD11 LEU 72 HD11 LEU 72 -3.957 9.580 4.877 561 HD12 LEU 72 HD12 LEU 72 -3.639 8.132 3.920 562 HD13 LEU 72 HD13 LEU 72 -3.442 8.092 5.673 563 HD21 LEU 72 HD21 LEU 72 -6.314 6.642 3.653 564 HD22 LEU 72 HD22 LEU 72 -6.045 6.016 5.277 565 HD23 LEU 72 HD23 LEU 72 -4.681 6.265 4.189 566 H SER 73 HN SER 73 -9.170 9.474 6.056 567 HA SER 73 HA SER 73 -9.640 10.288 8.873 568 HB2 SER 73 HB2 SER 73 -9.174 12.567 8.531 569 HB3 SER 73 HB1 SER 73 -7.859 11.769 7.674 570 HG SER 73 HG SER 73 -8.906 13.417 6.435 571 H GLN 74 HN GLN 74 -11.799 10.552 9.209 572 HA GLN 74 HA GLN 74 -13.773 9.934 7.348 573 HB2 GLN 74 HB2 GLN 74 -13.977 11.905 9.641 574 HB3 GLN 74 HB1 GLN 74 -15.349 11.166 8.811 575 HG2 GLN 74 HG2 GLN 74 -13.194 9.415 9.947 576 HG3 GLN 74 HG1 GLN 74 -14.433 10.072 11.016 577 HE21 GLN 74 HE21 GLN 74 -14.077 8.219 7.957 578 HE22 GLN 74 HE22 GLN 74 -15.526 7.356 8.134 579 H ARG 75 HN ARG 75 -11.974 12.872 7.732 580 HA ARG 75 HA ARG 75 -13.709 14.623 6.246 581 HB2 ARG 75 HB2 ARG 75 -11.824 15.346 7.754 582 HB3 ARG 75 HB1 ARG 75 -10.693 14.756 6.538 583 HG2 ARG 75 HG2 ARG 75 -12.421 16.336 5.057 584 HG3 ARG 75 HG1 ARG 75 -12.265 17.224 6.572 585 HD2 ARG 75 HD2 ARG 75 -9.742 16.893 6.350 586 HD3 ARG 75 HD1 ARG 75 -10.057 16.356 4.700 587 HE ARG 75 HE ARG 75 -10.208 19.107 5.663 588 HH11 ARG 75 HH21 ARG 75 -11.302 16.763 3.383 589 HH12 ARG 75 HH22 ARG 75 -11.703 17.933 2.171 590 HH21 ARG 75 HH11 ARG 75 -10.725 20.649 4.094 591 HH22 ARG 75 HH12 ARG 75 -11.376 20.133 2.573 592 H ASP 76 HN ASP 76 -11.180 12.345 5.378 593 HA ASP 76 HA ASP 76 -11.163 13.210 2.578 594 HB2 ASP 76 HB2 ASP 76 -9.791 10.994 4.108 595 HB3 ASP 76 HB1 ASP 76 -9.691 11.113 2.351 596 H LEU 77 HN LEU 77 -12.531 10.647 4.578 597 HA LEU 77 HA LEU 77 -13.552 9.175 2.313 598 HB2 LEU 77 HB2 LEU 77 -13.202 7.998 4.408 599 HB3 LEU 77 HB1 LEU 77 -14.244 9.135 5.251 600 HG LEU 77 HG LEU 77 -15.556 7.936 2.933 601 HD11 LEU 77 HD11 LEU 77 -14.131 6.029 3.568 602 HD12 LEU 77 HD12 LEU 77 -15.827 5.712 3.932 603 HD13 LEU 77 HD13 LEU 77 -14.716 6.150 5.226 604 HD21 LEU 77 HD21 LEU 77 -17.363 7.738 4.522 605 HD22 LEU 77 HD22 LEU 77 -16.563 9.280 4.831 606 HD23 LEU 77 HD23 LEU 77 -16.252 7.899 5.883 607 H GLN 78 HN GLN 78 -14.621 11.716 4.474 608 HA GLN 78 HA GLN 78 -17.352 11.693 3.518 609 HB2 GLN 78 HB2 GLN 78 -16.712 12.707 5.716 610 HB3 GLN 78 HB1 GLN 78 -15.815 13.951 4.845 611 HG2 GLN 78 HG2 GLN 78 -18.018 14.817 5.438 612 HG3 GLN 78 HG1 GLN 78 -17.933 14.608 3.689 613 HE21 GLN 78 HE21 GLN 78 -19.203 12.877 2.726 614 HE22 GLN 78 HE22 GLN 78 -20.399 12.054 3.605 615 H ALA 79 HN ALA 79 -14.332 13.101 2.604 616 HA ALA 79 HA ALA 79 -15.472 14.942 0.660 617 HB1 ALA 79 HB1 ALA 79 -12.676 13.755 0.778 618 HB2 ALA 79 HB2 ALA 79 -13.173 15.212 1.640 619 HB3 ALA 79 HB3 ALA 79 -13.166 15.190 -0.124 620 H HIS 80 HN HIS 80 -14.808 11.545 0.865 621 HA HIS 80 HA HIS 80 -14.633 11.152 -2.029 622 HB2 HIS 80 HB2 HIS 80 -13.789 9.229 -1.217 623 HB3 HIS 80 HB1 HIS 80 -14.552 9.478 0.344 624 HD1 HIS 80 HD1 HIS 80 -15.666 8.508 -3.168 625 HD2 HIS 80 HD2 HIS 80 -16.571 7.684 0.813 626 HE1 HIS 80 HE1 HIS 80 -17.491 6.752 -3.199 627 H ILE 81 HN ILE 81 -17.153 10.905 0.427 628 HA ILE 81 HA ILE 81 -19.220 9.913 -1.262 629 HB ILE 81 HB ILE 81 -19.840 11.910 0.897 630 HG12 ILE 81 HG12 ILE 81 -18.060 10.360 1.755 631 HG13 ILE 81 HG11 ILE 81 -19.563 10.310 2.648 632 HG21 ILE 81 HG21 ILE 81 -21.130 9.344 -0.062 633 HG22 ILE 81 HG22 ILE 81 -21.719 10.986 -0.295 634 HG23 ILE 81 HG23 ILE 81 -21.699 10.278 1.319 635 HD11 ILE 81 HD11 ILE 81 -18.506 8.045 2.086 636 HD12 ILE 81 HD12 ILE 81 -18.972 8.360 0.418 637 HD13 ILE 81 HD13 ILE 81 -20.206 8.245 1.667 638 H ASN 82 HN ASN 82 -18.457 13.241 -0.275 639 HA ASN 82 HA ASN 82 -20.403 14.452 -1.982 640 HB2 ASN 82 HB2 ASN 82 -17.825 15.820 -1.257 641 HB3 ASN 82 HB1 ASN 82 -19.450 16.496 -1.355 642 HD21 ASN 82 HD21 ASN 82 -17.362 16.264 0.954 643 HD22 ASN 82 HD22 ASN 82 -18.277 15.645 2.243 644 H HIS 83 HN HIS 83 -17.236 13.118 -2.556 645 HA HIS 83 HA HIS 83 -17.000 14.574 -5.092 646 HB2 HIS 83 HB2 HIS 83 -15.263 12.540 -3.726 647 HB3 HIS 83 HB1 HIS 83 -14.926 13.116 -5.353 648 HD1 HIS 83 HD1 HIS 83 -12.697 14.109 -4.107 649 HD2 HIS 83 HD2 HIS 83 -16.327 15.943 -3.179 650 HE1 HIS 83 HE1 HIS 83 -12.124 16.350 -3.068 651 HE2 HIS 83 HE2 HIS 83 -14.326 17.473 -2.500 652 H ARG 84 HN ARG 84 -18.482 11.642 -4.083 653 HA ARG 84 HA ARG 84 -18.378 10.618 -6.877 654 HB2 ARG 84 HB2 ARG 84 -18.710 9.092 -4.303 655 HB3 ARG 84 HB1 ARG 84 -18.696 8.374 -5.914 656 HG2 ARG 84 HG2 ARG 84 -16.431 10.034 -4.762 657 HG3 ARG 84 HG1 ARG 84 -16.464 8.273 -4.758 658 HD2 ARG 84 HD2 ARG 84 -16.990 8.792 -7.394 659 HD3 ARG 84 HD1 ARG 84 -15.942 10.148 -6.985 660 HE ARG 84 HE ARG 84 -14.559 8.023 -5.954 661 HH11 ARG 84 HH21 ARG 84 -16.108 8.662 -8.967 662 HH12 ARG 84 HH22 ARG 84 -15.011 7.690 -9.890 663 HH21 ARG 84 HH11 ARG 84 -13.116 6.752 -7.142 664 HH22 ARG 84 HH12 ARG 84 -13.317 6.609 -8.856 665 H HIS 85 HN HIS 85 -20.574 10.782 -4.077 666 HA HIS 85 HA HIS 85 -22.816 10.923 -6.013 667 HB2 HIS 85 HB2 HIS 85 -23.938 9.357 -4.092 668 HB3 HIS 85 HB1 HIS 85 -23.234 8.728 -5.581 669 HD1 HIS 85 HD1 HIS 85 -22.038 6.643 -4.846 670 HD2 HIS 85 HD2 HIS 85 -21.247 9.864 -2.326 671 HE1 HIS 85 HE1 HIS 85 -20.289 5.847 -3.197 672 H MET 86 HN MET 86 -21.503 11.558 -2.867 673 HA MET 86 HA MET 86 -22.145 13.091 -1.210 674 HB2 MET 86 HB2 MET 86 -22.298 14.509 -3.382 675 HB3 MET 86 HB1 MET 86 -24.041 14.302 -3.218 676 HG2 MET 86 HG2 MET 86 -23.359 15.014 -0.668 677 HG3 MET 86 HG1 MET 86 -22.181 15.932 -1.604 678 HE1 MET 86 HE1 MET 86 -24.898 18.412 -0.539 679 HE2 MET 86 HE2 MET 86 -23.679 17.311 0.101 680 HE3 MET 86 HE3 MET 86 -25.376 16.840 0.113 681 H ARG 87 HN ARG 87 -23.601 10.587 -1.452 682 HA ARG 87 HA ARG 87 -26.394 11.335 -0.816 683 HB2 ARG 87 HB2 ARG 87 -26.105 9.434 -2.315 684 HB3 ARG 87 HB1 ARG 87 -25.057 8.635 -1.143 685 HG2 ARG 87 HG2 ARG 87 -26.809 7.894 0.086 686 HG3 ARG 87 HG1 ARG 87 -27.645 9.443 -0.019 687 HD2 ARG 87 HD2 ARG 87 -27.491 7.540 -2.362 688 HD3 ARG 87 HD1 ARG 87 -28.788 7.458 -1.169 689 HE ARG 87 HE ARG 87 -28.487 9.502 -3.227 690 HH11 ARG 87 HH21 ARG 87 -29.686 8.689 -0.099 691 HH12 ARG 87 HH22 ARG 87 -30.930 9.893 -0.117 692 HH21 ARG 87 HH11 ARG 87 -30.103 11.080 -3.268 693 HH22 ARG 87 HH12 ARG 87 -31.166 11.248 -1.911 694 H ALA 88 HN ALA 88 -24.936 12.388 1.131 695 HA ALA 88 HA ALA 88 -24.639 12.390 3.460 696 HB1 ALA 88 HB1 ALA 88 -26.401 11.502 4.572 697 HB2 ALA 88 HB2 ALA 88 -26.055 9.876 3.982 698 HB3 ALA 88 HB3 ALA 88 -26.987 10.996 2.988 699 H GLY 89 HN GLY 89 -23.252 11.407 5.018 700 HA2 GLY 89 HA2 GLY 89 -22.321 8.831 5.238 701 HA3 GLY 89 HA1 GLY 89 -21.382 9.465 3.886 Start of MODEL 17 1 H1 VAL 1 HT1 VAL 1 -11.775 -3.027 4.738 2 H2 VAL 1 HT2 VAL 1 -13.102 -1.983 4.934 3 H3 VAL 1 HT3 VAL 1 -12.582 -2.420 3.376 4 HA VAL 1 HA VAL 1 -14.491 -3.684 4.972 5 HB VAL 1 HB VAL 1 -14.533 -5.226 2.938 6 HG11 VAL 1 HG11 VAL 1 -15.283 -3.391 1.417 7 HG12 VAL 1 HG12 VAL 1 -14.587 -2.220 2.536 8 HG13 VAL 1 HG13 VAL 1 -15.938 -3.233 3.046 9 HG21 VAL 1 HG21 VAL 1 -12.631 -3.283 1.670 10 HG22 VAL 1 HG22 VAL 1 -13.010 -4.942 1.203 11 HG23 VAL 1 HG23 VAL 1 -11.971 -4.633 2.594 12 H HIS 2 HN HIS 2 -14.608 -6.001 5.478 13 HA HIS 2 HA HIS 2 -12.030 -6.998 6.505 14 HB2 HIS 2 HB2 HIS 2 -14.255 -8.787 6.943 15 HB3 HIS 2 HB1 HIS 2 -13.298 -7.901 8.130 16 HD1 HIS 2 HD1 HIS 2 -13.985 -5.139 8.079 17 HD2 HIS 2 HD2 HIS 2 -16.878 -7.941 6.990 18 HE1 HIS 2 HE1 HIS 2 -16.228 -3.981 8.306 19 HE2 HIS 2 HE2 HIS 2 -17.995 -5.678 7.646 20 H PHE 3 HN PHE 3 -14.657 -8.125 4.387 21 HA PHE 3 HA PHE 3 -13.153 -10.485 3.580 22 HB2 PHE 3 HB2 PHE 3 -15.008 -10.673 1.851 23 HB3 PHE 3 HB1 PHE 3 -15.548 -10.672 3.529 24 HD1 PHE 3 HD2 PHE 3 -16.417 -8.532 4.551 25 HD2 PHE 3 HD1 PHE 3 -15.651 -8.941 0.345 26 HE1 PHE 3 HE2 PHE 3 -17.816 -6.535 4.103 27 HE2 PHE 3 HE1 PHE 3 -17.052 -6.944 -0.104 28 HZ PHE 3 HZ PHE 3 -18.134 -5.741 1.775 29 H CYS 4 HN CYS 4 -11.309 -10.094 2.431 30 HA CYS 4 HA CYS 4 -10.617 -7.884 0.908 31 HB2 CYS 4 HB2 CYS 4 -9.048 -9.697 1.359 32 HB3 CYS 4 HB1 CYS 4 -9.964 -10.782 0.313 33 H ASP 5 HN ASP 5 -10.892 -7.248 -1.253 34 HA ASP 5 HA ASP 5 -13.367 -8.195 -2.489 35 HB2 ASP 5 HB2 ASP 5 -12.290 -5.751 -2.358 36 HB3 ASP 5 HB1 ASP 5 -11.580 -6.266 -3.889 37 H LYS 6 HN LYS 6 -9.890 -8.522 -3.086 38 HA LYS 6 HA LYS 6 -10.457 -9.811 -5.689 39 HB2 LYS 6 HB2 LYS 6 -8.291 -8.314 -4.667 40 HB3 LYS 6 HB1 LYS 6 -7.686 -9.953 -4.904 41 HG2 LYS 6 HG2 LYS 6 -9.218 -8.409 -7.023 42 HG3 LYS 6 HG1 LYS 6 -7.462 -8.466 -6.930 43 HD2 LYS 6 HD2 LYS 6 -8.876 -11.085 -6.862 44 HD3 LYS 6 HD1 LYS 6 -8.869 -10.221 -8.398 45 HE2 LYS 6 HE2 LYS 6 -6.323 -10.543 -6.826 46 HE3 LYS 6 HE1 LYS 6 -6.896 -11.843 -7.871 47 HZ1 LYS 6 HZ1 LYS 6 -7.132 -9.501 -9.324 48 HZ2 LYS 6 HZ2 LYS 6 -6.015 -10.757 -9.568 49 HZ3 LYS 6 HZ3 LYS 6 -5.607 -9.433 -8.585 50 H CYS 7 HN CYS 7 -9.123 -10.634 -2.508 51 HA CYS 7 HA CYS 7 -8.802 -13.433 -3.346 52 HB2 CYS 7 HB2 CYS 7 -8.448 -12.328 -0.558 53 HB3 CYS 7 HB1 CYS 7 -7.736 -13.787 -1.244 54 H GLY 8 HN GLY 8 -11.099 -11.465 -1.602 55 HA2 GLY 8 HA2 GLY 8 -13.269 -12.021 -0.883 56 HA3 GLY 8 HA1 GLY 8 -13.060 -13.591 -1.659 57 H LEU 9 HN LEU 9 -10.515 -12.913 0.472 58 HA LEU 9 HA LEU 9 -11.680 -14.789 2.472 59 HB2 LEU 9 HB2 LEU 9 -8.958 -14.160 1.500 60 HB3 LEU 9 HB1 LEU 9 -9.079 -14.403 3.241 61 HG LEU 9 HG LEU 9 -10.206 -16.568 2.864 62 HD11 LEU 9 HD11 LEU 9 -11.344 -16.442 0.840 63 HD12 LEU 9 HD12 LEU 9 -9.926 -17.374 0.360 64 HD13 LEU 9 HD13 LEU 9 -10.003 -15.645 0.018 65 HD21 LEU 9 HD21 LEU 9 -7.633 -16.296 1.276 66 HD22 LEU 9 HD22 LEU 9 -8.258 -17.780 1.995 67 HD23 LEU 9 HD23 LEU 9 -7.725 -16.455 3.030 68 HA PRO 10 HA PRO 10 -12.168 -11.550 5.413 69 HB2 PRO 10 HB2 PRO 10 -11.399 -12.731 7.761 70 HB3 PRO 10 HB1 PRO 10 -12.963 -12.995 6.968 71 HG2 PRO 10 HG2 PRO 10 -10.552 -14.724 7.012 72 HG3 PRO 10 HG1 PRO 10 -12.264 -15.172 6.986 73 HD2 PRO 10 HD2 PRO 10 -10.627 -15.271 4.769 74 HD3 PRO 10 HD1 PRO 10 -12.390 -15.072 4.686 75 H ILE 11 HN ILE 11 -10.674 -10.062 4.885 76 HA ILE 11 HA ILE 11 -7.921 -10.026 5.005 77 HB ILE 11 HB ILE 11 -9.880 -7.809 5.681 78 HG12 ILE 11 HG12 ILE 11 -8.339 -8.333 3.134 79 HG13 ILE 11 HG11 ILE 11 -9.948 -8.997 3.413 80 HG21 ILE 11 HG21 ILE 11 -7.668 -7.183 6.509 81 HG22 ILE 11 HG22 ILE 11 -8.008 -6.294 5.026 82 HG23 ILE 11 HG23 ILE 11 -6.940 -7.690 4.990 83 HD11 ILE 11 HD11 ILE 11 -9.765 -6.144 4.040 84 HD12 ILE 11 HD12 ILE 11 -10.949 -7.003 3.057 85 HD13 ILE 11 HD13 ILE 11 -9.412 -6.502 2.352 86 H LYS 12 HN LYS 12 -6.687 -10.747 6.667 87 HA LYS 12 HA LYS 12 -7.494 -10.370 9.464 88 HB2 LYS 12 HB2 LYS 12 -4.822 -11.307 8.362 89 HB3 LYS 12 HB1 LYS 12 -5.425 -11.531 10.004 90 HG2 LYS 12 HG2 LYS 12 -7.448 -12.584 8.401 91 HG3 LYS 12 HG1 LYS 12 -5.961 -13.110 7.611 92 HD2 LYS 12 HD2 LYS 12 -6.644 -13.492 10.542 93 HD3 LYS 12 HD1 LYS 12 -6.649 -14.751 9.307 94 HE2 LYS 12 HE2 LYS 12 -4.486 -15.112 9.848 95 HE3 LYS 12 HE1 LYS 12 -4.135 -13.581 9.045 96 HZ1 LYS 12 HZ1 LYS 12 -5.128 -13.341 11.750 97 HZ2 LYS 12 HZ2 LYS 12 -3.843 -12.534 10.986 98 HZ3 LYS 12 HZ3 LYS 12 -3.612 -14.093 11.622 99 H VAL 13 HN VAL 13 -5.285 -8.976 7.121 100 HA VAL 13 HA VAL 13 -4.894 -6.643 8.910 101 HB VAL 13 HB VAL 13 -2.645 -7.434 7.167 102 HG11 VAL 13 HG11 VAL 13 -1.338 -6.525 9.040 103 HG12 VAL 13 HG12 VAL 13 -2.801 -6.420 10.019 104 HG13 VAL 13 HG13 VAL 13 -2.621 -5.401 8.591 105 HG21 VAL 13 HG21 VAL 13 -3.397 -8.923 9.690 106 HG22 VAL 13 HG22 VAL 13 -1.762 -8.931 9.030 107 HG23 VAL 13 HG23 VAL 13 -3.096 -9.604 8.093 108 H TYR 14 HN TYR 14 -5.040 -4.725 7.729 109 HA TYR 14 HA TYR 14 -6.076 -4.968 5.021 110 HB2 TYR 14 HB2 TYR 14 -5.606 -2.700 6.909 111 HB3 TYR 14 HB1 TYR 14 -5.894 -2.367 5.206 112 HD1 TYR 14 HD1 TYR 14 -7.344 -5.053 7.398 113 HD2 TYR 14 HD2 TYR 14 -8.065 -1.515 5.084 114 HE1 TYR 14 HE1 TYR 14 -9.775 -5.312 7.766 115 HE2 TYR 14 HE2 TYR 14 -10.500 -1.764 5.459 116 HH TYR 14 HH TYR 14 -11.788 -4.463 7.407 117 H GLY 15 HN GLY 15 -4.629 -5.422 3.457 118 HA2 GLY 15 HA2 GLY 15 -1.908 -4.388 3.500 119 HA3 GLY 15 HA1 GLY 15 -2.656 -5.272 2.163 120 H ARG 16 HN ARG 16 -2.364 -2.134 3.687 121 HA ARG 16 HA ARG 16 -4.045 -0.698 1.854 122 HB2 ARG 16 HB2 ARG 16 -3.274 0.180 4.064 123 HB3 ARG 16 HB1 ARG 16 -1.649 0.339 3.400 124 HG2 ARG 16 HG2 ARG 16 -2.189 2.322 2.495 125 HG3 ARG 16 HG1 ARG 16 -3.499 1.567 1.586 126 HD2 ARG 16 HD2 ARG 16 -5.024 1.832 3.462 127 HD3 ARG 16 HD1 ARG 16 -3.721 2.439 4.483 128 HE ARG 16 HE ARG 16 -5.214 3.994 2.553 129 HH11 ARG 16 HH21 ARG 16 -2.135 3.481 4.016 130 HH12 ARG 16 HH22 ARG 16 -1.612 5.119 3.806 131 HH21 ARG 16 HH11 ARG 16 -4.551 6.138 2.274 132 HH22 ARG 16 HH12 ARG 16 -2.980 6.623 2.819 133 H MET 17 HN MET 17 -3.664 -0.025 -0.183 134 HA MET 17 HA MET 17 -0.898 -0.340 -1.268 135 HB2 MET 17 HB2 MET 17 -3.504 -0.446 -2.804 136 HB3 MET 17 HB1 MET 17 -1.899 -0.880 -3.390 137 HG2 MET 17 HG2 MET 17 -1.975 -2.515 -1.289 138 HG3 MET 17 HG1 MET 17 -3.712 -2.370 -1.549 139 HE1 MET 17 HE1 MET 17 -0.519 -3.967 -4.390 140 HE2 MET 17 HE2 MET 17 -0.516 -4.298 -2.663 141 HE3 MET 17 HE3 MET 17 -0.389 -2.640 -3.232 142 H ILE 18 HN ILE 18 0.049 1.521 -1.883 143 HA ILE 18 HA ILE 18 -1.654 3.909 -2.409 144 HB ILE 18 HB ILE 18 0.944 4.785 -2.018 145 HG12 ILE 18 HG12 ILE 18 1.478 2.384 -1.451 146 HG13 ILE 18 HG11 ILE 18 1.911 3.550 -0.238 147 HG21 ILE 18 HG21 ILE 18 0.102 5.102 0.450 148 HG22 ILE 18 HG22 ILE 18 -1.422 4.485 -0.180 149 HG23 ILE 18 HG23 ILE 18 -0.722 5.957 -0.850 150 HD11 ILE 18 HD11 ILE 18 -0.802 2.632 0.252 151 HD12 ILE 18 HD12 ILE 18 0.598 2.569 1.312 152 HD13 ILE 18 HD13 ILE 18 0.303 1.272 0.162 153 HA PRO 19 HA PRO 19 -0.928 5.999 -3.134 154 HB2 PRO 19 HB2 PRO 19 -1.535 7.544 -5.265 155 HB3 PRO 19 HB1 PRO 19 0.126 7.394 -4.658 156 HG2 PRO 19 HG2 PRO 19 -1.145 6.135 -7.025 157 HG3 PRO 19 HG1 PRO 19 0.510 6.722 -6.808 158 HD2 PRO 19 HD2 PRO 19 -0.276 4.045 -6.642 159 HD3 PRO 19 HD1 PRO 19 1.234 4.712 -5.988 160 H CYS 20 HN CYS 20 -2.298 3.629 -4.962 161 HA CYS 20 HA CYS 20 -4.852 4.577 -5.714 162 HB2 CYS 20 HB2 CYS 20 -3.613 2.191 -5.894 163 HB3 CYS 20 HB1 CYS 20 -4.671 1.854 -4.524 164 H LYS 21 HN LYS 21 -3.626 3.503 -2.586 165 HA LYS 21 HA LYS 21 -4.480 3.934 -0.438 166 HB2 LYS 21 HB2 LYS 21 -5.513 6.011 -1.864 167 HB3 LYS 21 HB1 LYS 21 -6.997 5.166 -1.415 168 HG2 LYS 21 HG2 LYS 21 -6.275 5.181 0.954 169 HG3 LYS 21 HG1 LYS 21 -4.818 6.063 0.494 170 HD2 LYS 21 HD2 LYS 21 -7.222 7.332 -0.561 171 HD3 LYS 21 HD1 LYS 21 -7.273 7.195 1.197 172 HE2 LYS 21 HE2 LYS 21 -5.191 8.361 1.435 173 HE3 LYS 21 HE1 LYS 21 -4.869 8.269 -0.297 174 HZ1 LYS 21 HZ1 LYS 21 -6.472 9.837 -0.769 175 HZ2 LYS 21 HZ2 LYS 21 -5.820 10.432 0.684 176 HZ3 LYS 21 HZ3 LYS 21 -7.302 9.602 0.692 177 H HIS 22 HN HIS 22 -5.229 1.738 -2.406 178 HA HIS 22 HA HIS 22 -7.911 0.978 -1.442 179 HB2 HIS 22 HB2 HIS 22 -6.065 0.038 -3.582 180 HB3 HIS 22 HB1 HIS 22 -7.159 -1.159 -2.887 181 HD2 HIS 22 HD2 HIS 22 -9.970 0.183 -2.719 182 HE1 HIS 22 HE1 HIS 22 -9.297 1.981 -6.479 183 HE2 HIS 22 HE2 HIS 22 -11.061 1.387 -4.759 184 H VAL 23 HN VAL 23 -7.967 -1.584 -0.878 185 HA VAL 23 HA VAL 23 -5.621 -2.291 0.774 186 HB VAL 23 HB VAL 23 -6.725 -2.403 2.817 187 HG11 VAL 23 HG11 VAL 23 -6.468 -0.052 2.079 188 HG12 VAL 23 HG12 VAL 23 -7.868 -0.259 3.125 189 HG13 VAL 23 HG13 VAL 23 -8.089 -0.104 1.386 190 HG21 VAL 23 HG21 VAL 23 -9.322 -2.120 2.826 191 HG22 VAL 23 HG22 VAL 23 -8.640 -3.682 2.372 192 HG23 VAL 23 HG23 VAL 23 -9.209 -2.572 1.124 193 H PHE 24 HN PHE 24 -5.464 -4.494 1.255 194 HA PHE 24 HA PHE 24 -7.603 -6.357 0.514 195 HB2 PHE 24 HB2 PHE 24 -4.980 -6.638 -0.963 196 HB3 PHE 24 HB1 PHE 24 -6.484 -7.509 -1.247 197 HD1 PHE 24 HD2 PHE 24 -8.446 -6.322 -2.256 198 HD2 PHE 24 HD1 PHE 24 -4.586 -4.493 -1.898 199 HE1 PHE 24 HE2 PHE 24 -9.103 -4.617 -3.930 200 HE2 PHE 24 HE1 PHE 24 -5.232 -2.785 -3.573 201 HZ PHE 24 HZ PHE 24 -7.490 -2.849 -4.602 202 H CYS 25 HN CYS 25 -6.727 -8.697 0.903 203 HA CYS 25 HA CYS 25 -5.628 -8.862 3.489 204 HB2 CYS 25 HB2 CYS 25 -4.682 -11.147 2.086 205 HB3 CYS 25 HB1 CYS 25 -6.088 -11.037 3.142 206 H TYR 26 HN TYR 26 -3.727 -8.017 4.135 207 HA TYR 26 HA TYR 26 -1.596 -7.242 2.493 208 HB2 TYR 26 HB2 TYR 26 -1.872 -6.593 4.880 209 HB3 TYR 26 HB1 TYR 26 -1.409 -8.223 5.350 210 HD1 TYR 26 HD1 TYR 26 -0.065 -5.622 2.945 211 HD2 TYR 26 HD2 TYR 26 0.761 -8.377 6.140 212 HE1 TYR 26 HE1 TYR 26 2.319 -4.977 2.887 213 HE2 TYR 26 HE2 TYR 26 3.148 -7.729 6.075 214 HH TYR 26 HH TYR 26 4.560 -5.992 5.339 215 H ASP 27 HN ASP 27 -2.550 -10.417 3.288 216 HA ASP 27 HA ASP 27 0.105 -11.582 2.853 217 HB2 ASP 27 HB2 ASP 27 -2.097 -13.451 2.540 218 HB3 ASP 27 HB1 ASP 27 -0.834 -13.427 3.772 219 H CYS 28 HN CYS 28 -2.826 -10.919 1.060 220 HA CYS 28 HA CYS 28 -1.811 -12.317 -1.311 221 HB2 CYS 28 HB2 CYS 28 -3.940 -12.167 -2.121 222 HB3 CYS 28 HB1 CYS 28 -4.356 -11.749 -0.459 223 H ALA 29 HN ALA 29 -1.879 -9.126 0.041 224 HA ALA 29 HA ALA 29 -1.274 -7.733 -2.413 225 HB1 ALA 29 HB1 ALA 29 -2.146 -6.917 -0.005 226 HB2 ALA 29 HB2 ALA 29 -1.257 -5.836 -1.074 227 HB3 ALA 29 HB3 ALA 29 -0.421 -6.659 0.243 228 H ILE 30 HN ILE 30 0.615 -9.254 0.158 229 HA ILE 30 HA ILE 30 3.129 -8.295 -1.001 230 HB ILE 30 HB ILE 30 4.178 -9.602 0.781 231 HG12 ILE 30 HG12 ILE 30 2.137 -10.500 2.390 232 HG13 ILE 30 HG11 ILE 30 1.546 -10.890 0.787 233 HG21 ILE 30 HG21 ILE 30 2.065 -7.627 1.205 234 HG22 ILE 30 HG22 ILE 30 3.696 -7.691 1.868 235 HG23 ILE 30 HG23 ILE 30 2.398 -8.608 2.630 236 HD11 ILE 30 HD11 ILE 30 4.254 -11.670 1.892 237 HD12 ILE 30 HD12 ILE 30 3.653 -12.073 0.284 238 HD13 ILE 30 HD13 ILE 30 2.875 -12.754 1.712 239 H LEU 31 HN LEU 31 1.164 -11.243 -0.943 240 HA LEU 31 HA LEU 31 3.182 -12.875 -2.233 241 HB2 LEU 31 HB2 LEU 31 0.241 -13.103 -1.774 242 HB3 LEU 31 HB1 LEU 31 0.967 -14.142 -2.991 243 HG LEU 31 HG LEU 31 2.220 -13.899 -0.269 244 HD11 LEU 31 HD11 LEU 31 0.796 -16.185 -0.025 245 HD12 LEU 31 HD12 LEU 31 -0.333 -15.236 -0.991 246 HD13 LEU 31 HD13 LEU 31 0.217 -14.630 0.570 247 HD21 LEU 31 HD21 LEU 31 2.061 -16.460 -1.753 248 HD22 LEU 31 HD22 LEU 31 3.434 -15.723 -0.928 249 HD23 LEU 31 HD23 LEU 31 2.990 -15.190 -2.549 250 H HIS 32 HN HIS 32 0.958 -10.426 -3.314 251 HA HIS 32 HA HIS 32 1.131 -11.238 -6.127 252 HB2 HIS 32 HB2 HIS 32 -0.226 -9.097 -4.569 253 HB3 HIS 32 HB1 HIS 32 0.186 -8.708 -6.239 254 HD1 HIS 32 HD1 HIS 32 -1.525 -9.411 -7.905 255 HD2 HIS 32 HD2 HIS 32 -1.662 -11.791 -4.483 256 HE1 HIS 32 HE1 HIS 32 -3.445 -11.032 -8.234 257 HE2 HIS 32 HE2 HIS 32 -3.537 -12.485 -6.158 258 H GLU 33 HN GLU 33 2.508 -8.796 -3.975 259 HA GLU 33 HA GLU 33 4.021 -7.425 -5.986 260 HB2 GLU 33 HB2 GLU 33 3.712 -7.318 -3.131 261 HB3 GLU 33 HB1 GLU 33 5.432 -7.311 -3.521 262 HG2 GLU 33 HG2 GLU 33 4.994 -5.489 -5.180 263 HG3 GLU 33 HG1 GLU 33 3.321 -5.441 -4.623 264 H LYS 34 HN LYS 34 4.744 -10.259 -3.962 265 HA LYS 34 HA LYS 34 7.490 -10.367 -4.977 266 HB2 LYS 34 HB2 LYS 34 7.835 -12.143 -3.493 267 HB3 LYS 34 HB1 LYS 34 6.613 -11.184 -2.659 268 HG2 LYS 34 HG2 LYS 34 4.882 -12.681 -3.842 269 HG3 LYS 34 HG1 LYS 34 6.238 -13.750 -4.208 270 HD2 LYS 34 HD2 LYS 34 5.388 -12.842 -1.442 271 HD3 LYS 34 HD1 LYS 34 5.163 -14.455 -2.120 272 HE2 LYS 34 HE2 LYS 34 7.130 -14.755 -0.913 273 HE3 LYS 34 HE1 LYS 34 7.768 -14.334 -2.501 274 HZ1 LYS 34 HZ1 LYS 34 8.175 -13.003 -0.094 275 HZ2 LYS 34 HZ2 LYS 34 7.225 -11.980 -1.061 276 HZ3 LYS 34 HZ3 LYS 34 8.720 -12.551 -1.636 277 H LYS 35 HN LYS 35 4.381 -11.776 -5.791 278 HA LYS 35 HA LYS 35 5.547 -13.852 -7.470 279 HB2 LYS 35 HB2 LYS 35 2.753 -12.813 -7.054 280 HB3 LYS 35 HB1 LYS 35 3.110 -13.926 -8.371 281 HG2 LYS 35 HG2 LYS 35 3.949 -15.591 -6.834 282 HG3 LYS 35 HG1 LYS 35 3.827 -14.471 -5.478 283 HD2 LYS 35 HD2 LYS 35 1.396 -14.402 -5.705 284 HD3 LYS 35 HD1 LYS 35 1.476 -15.426 -7.138 285 HE2 LYS 35 HE2 LYS 35 2.923 -16.715 -5.030 286 HE3 LYS 35 HE1 LYS 35 1.340 -16.243 -4.411 287 HZ1 LYS 35 HZ1 LYS 35 0.592 -18.050 -5.438 288 HZ2 LYS 35 HZ2 LYS 35 2.020 -18.252 -6.336 289 HZ3 LYS 35 HZ3 LYS 35 0.803 -17.205 -6.893 290 H GLY 36 HN GLY 36 6.178 -10.902 -7.910 291 HA2 GLY 36 HA2 GLY 36 6.712 -9.628 -9.815 292 HA3 GLY 36 HA1 GLY 36 6.223 -11.009 -10.797 293 H ASP 37 HN ASP 37 4.250 -9.255 -8.435 294 HA ASP 37 HA ASP 37 2.611 -8.146 -10.645 295 HB2 ASP 37 HB2 ASP 37 1.182 -9.298 -8.280 296 HB3 ASP 37 HB1 ASP 37 0.630 -9.117 -9.943 297 H LYS 38 HN LYS 38 4.260 -6.513 -9.474 298 HA LYS 38 HA LYS 38 3.474 -5.373 -6.964 299 HB2 LYS 38 HB2 LYS 38 4.712 -3.299 -8.116 300 HB3 LYS 38 HB1 LYS 38 5.608 -4.701 -7.530 301 HG2 LYS 38 HG2 LYS 38 5.880 -5.592 -9.679 302 HG3 LYS 38 HG1 LYS 38 4.525 -4.671 -10.335 303 HD2 LYS 38 HD2 LYS 38 5.822 -2.580 -10.052 304 HD3 LYS 38 HD1 LYS 38 7.183 -3.517 -9.433 305 HE2 LYS 38 HE2 LYS 38 7.003 -4.853 -11.647 306 HE3 LYS 38 HE1 LYS 38 6.028 -3.500 -12.219 307 HZ1 LYS 38 HZ1 LYS 38 8.838 -3.454 -11.291 308 HZ2 LYS 38 HZ2 LYS 38 7.912 -2.041 -11.464 309 HZ3 LYS 38 HZ3 LYS 38 8.236 -3.019 -12.815 310 H MET 39 HN MET 39 1.390 -5.711 -9.208 311 HA MET 39 HA MET 39 0.479 -2.910 -9.494 312 HB2 MET 39 HB2 MET 39 -1.008 -3.720 -11.166 313 HB3 MET 39 HB1 MET 39 0.490 -4.623 -11.417 314 HG2 MET 39 HG2 MET 39 -0.558 -6.328 -9.737 315 HG3 MET 39 HG1 MET 39 -2.081 -5.547 -10.163 316 HE1 MET 39 HE1 MET 39 -2.703 -8.505 -12.365 317 HE2 MET 39 HE2 MET 39 -3.432 -7.160 -11.491 318 HE3 MET 39 HE3 MET 39 -2.344 -8.261 -10.650 319 H CYS 40 HN CYS 40 -1.797 -2.415 -8.907 320 HA CYS 40 HA CYS 40 -2.533 -3.523 -6.326 321 HB2 CYS 40 HB2 CYS 40 -3.014 -1.203 -6.745 322 HB3 CYS 40 HB1 CYS 40 -3.911 -1.597 -8.210 323 HA PRO 41 HA PRO 41 -4.678 -7.040 -8.355 324 HB2 PRO 41 HB2 PRO 41 -5.918 -7.277 -5.654 325 HB3 PRO 41 HB1 PRO 41 -5.140 -8.521 -6.652 326 HG2 PRO 41 HG2 PRO 41 -3.936 -7.481 -4.520 327 HG3 PRO 41 HG1 PRO 41 -3.035 -7.937 -5.976 328 HD2 PRO 41 HD2 PRO 41 -3.761 -5.225 -4.985 329 HD3 PRO 41 HD1 PRO 41 -2.341 -5.750 -5.913 330 H GLY 42 HN GLY 42 -6.077 -4.299 -6.749 331 HA2 GLY 42 HA2 GLY 42 -8.817 -5.029 -7.610 332 HA3 GLY 42 HA1 GLY 42 -8.383 -3.633 -6.624 333 H CYS 43 HN CYS 43 -6.685 -2.165 -7.978 334 HA CYS 43 HA CYS 43 -8.193 -1.440 -10.405 335 HB2 CYS 43 HB2 CYS 43 -5.855 0.103 -9.323 336 HB3 CYS 43 HB1 CYS 43 -7.263 0.700 -10.202 337 H SER 44 HN SER 44 -5.129 -2.796 -9.493 338 HA SER 44 HA SER 44 -3.526 -3.844 -10.858 339 HB2 SER 44 HB2 SER 44 -4.105 -4.454 -12.994 340 HB3 SER 44 HB1 SER 44 -5.705 -3.994 -12.420 341 HG SER 44 HG SER 44 -4.092 -2.824 -14.294 342 H ASP 45 HN ASP 45 -3.183 -1.231 -9.838 343 HA ASP 45 HA ASP 45 -1.666 0.107 -12.031 344 HB2 ASP 45 HB2 ASP 45 -3.427 1.133 -9.919 345 HB3 ASP 45 HB1 ASP 45 -1.878 1.971 -10.008 346 HA PRO 46 HA PRO 46 2.141 -0.639 -9.947 347 HB2 PRO 46 HB2 PRO 46 3.247 1.935 -9.900 348 HB3 PRO 46 HB1 PRO 46 3.376 0.776 -11.235 349 HG2 PRO 46 HG2 PRO 46 1.569 3.103 -10.914 350 HG3 PRO 46 HG1 PRO 46 2.301 2.427 -12.379 351 HD2 PRO 46 HD2 PRO 46 -0.316 2.041 -11.768 352 HD3 PRO 46 HD1 PRO 46 0.644 0.818 -12.631 353 H VAL 47 HN VAL 47 1.301 -1.113 -7.825 354 HA VAL 47 HA VAL 47 0.530 0.878 -5.933 355 HB VAL 47 HB VAL 47 0.594 -0.822 -4.291 356 HG11 VAL 47 HG11 VAL 47 0.045 -2.792 -6.315 357 HG12 VAL 47 HG12 VAL 47 -0.565 -1.231 -6.855 358 HG13 VAL 47 HG13 VAL 47 -1.098 -1.895 -5.323 359 HG21 VAL 47 HG21 VAL 47 1.727 -3.084 -5.061 360 HG22 VAL 47 HG22 VAL 47 2.701 -1.807 -4.334 361 HG23 VAL 47 HG23 VAL 47 2.682 -2.014 -6.082 362 H GLN 48 HN GLN 48 1.854 2.498 -5.320 363 HA GLN 48 HA GLN 48 4.600 2.730 -5.599 364 HB2 GLN 48 HB2 GLN 48 2.531 4.111 -4.137 365 HB3 GLN 48 HB1 GLN 48 3.984 3.999 -3.144 366 HG2 GLN 48 HG2 GLN 48 5.330 4.991 -4.885 367 HG3 GLN 48 HG1 GLN 48 3.977 4.950 -6.017 368 HE21 GLN 48 HE21 GLN 48 2.913 6.922 -6.191 369 HE22 GLN 48 HE22 GLN 48 2.812 8.091 -4.964 370 H ARG 49 HN ARG 49 2.929 1.832 -2.593 371 HA ARG 49 HA ARG 49 4.890 -0.249 -2.087 372 HB2 ARG 49 HB2 ARG 49 5.765 0.724 0.026 373 HB3 ARG 49 HB1 ARG 49 6.222 1.679 -1.385 374 HG2 ARG 49 HG2 ARG 49 4.110 3.073 -0.907 375 HG3 ARG 49 HG1 ARG 49 4.100 2.285 0.673 376 HD2 ARG 49 HD2 ARG 49 6.498 3.025 0.955 377 HD3 ARG 49 HD1 ARG 49 6.301 3.993 -0.505 378 HE ARG 49 HE ARG 49 4.174 4.648 1.262 379 HH11 ARG 49 HH21 ARG 49 7.606 4.835 0.987 380 HH12 ARG 49 HH22 ARG 49 7.737 6.275 1.942 381 HH21 ARG 49 HH11 ARG 49 4.326 6.525 2.511 382 HH22 ARG 49 HH12 ARG 49 5.880 7.231 2.805 383 H ILE 50 HN ILE 50 3.797 -1.812 -0.991 384 HA ILE 50 HA ILE 50 1.137 -1.241 -0.014 385 HB ILE 50 HB ILE 50 2.587 -3.752 0.740 386 HG12 ILE 50 HG12 ILE 50 1.502 -3.155 -2.025 387 HG13 ILE 50 HG11 ILE 50 3.198 -3.361 -1.618 388 HG21 ILE 50 HG21 ILE 50 0.489 -4.635 0.898 389 HG22 ILE 50 HG22 ILE 50 -0.136 -3.680 -0.442 390 HG23 ILE 50 HG23 ILE 50 0.063 -2.946 1.148 391 HD11 ILE 50 HD11 ILE 50 2.335 -5.459 -2.514 392 HD12 ILE 50 HD12 ILE 50 1.031 -5.458 -1.335 393 HD13 ILE 50 HD13 ILE 50 2.699 -5.661 -0.803 394 H GLU 51 HN GLU 51 0.439 -1.184 2.067 395 HA GLU 51 HA GLU 51 2.468 -1.374 4.226 396 HB2 GLU 51 HB2 GLU 51 0.537 0.937 3.969 397 HB3 GLU 51 HB1 GLU 51 1.819 0.744 5.172 398 HG2 GLU 51 HG2 GLU 51 3.468 0.628 3.275 399 HG3 GLU 51 HG1 GLU 51 2.155 1.065 2.183 400 H GLN 52 HN GLN 52 1.672 -2.092 6.153 401 HA GLN 52 HA GLN 52 -0.942 -3.409 6.032 402 HB2 GLN 52 HB2 GLN 52 -0.257 -4.629 7.905 403 HB3 GLN 52 HB1 GLN 52 1.277 -4.296 7.101 404 HG2 GLN 52 HG2 GLN 52 1.327 -2.152 8.573 405 HG3 GLN 52 HG1 GLN 52 0.113 -2.981 9.548 406 HE21 GLN 52 HE21 GLN 52 0.759 -5.160 10.441 407 HE22 GLN 52 HE22 GLN 52 2.401 -5.472 10.738 408 H CYS 53 HN CYS 53 -2.722 -2.931 7.333 409 HA CYS 53 HA CYS 53 -2.531 -0.643 9.197 410 HB2 CYS 53 HB2 CYS 53 -3.738 -0.517 6.552 411 HB3 CYS 53 HB1 CYS 53 -4.914 -0.155 7.816 412 H THR 54 HN THR 54 -4.459 -0.505 10.607 413 HA THR 54 HA THR 54 -5.487 -3.170 11.226 414 HB THR 54 HB THR 54 -6.869 -1.233 12.754 415 HG1 THR 54 HG1 THR 54 -5.578 0.402 12.741 416 HG21 THR 54 HG21 THR 54 -4.367 -2.831 13.371 417 HG22 THR 54 HG22 THR 54 -6.025 -3.405 13.546 418 HG23 THR 54 HG23 THR 54 -5.433 -2.096 14.569 419 H ARG 55 HN ARG 55 -7.871 -3.537 11.482 420 HA ARG 55 HA ARG 55 -9.258 -2.813 9.082 421 HB2 ARG 55 HB2 ARG 55 -11.221 -3.915 10.124 422 HB3 ARG 55 HB1 ARG 55 -9.767 -4.903 10.252 423 HG2 ARG 55 HG2 ARG 55 -9.490 -3.624 12.559 424 HG3 ARG 55 HG1 ARG 55 -11.232 -3.402 12.392 425 HD2 ARG 55 HD2 ARG 55 -10.768 -5.459 13.641 426 HD3 ARG 55 HD1 ARG 55 -11.498 -5.850 12.083 427 HE ARG 55 HE ARG 55 -9.457 -6.861 11.434 428 HH11 ARG 55 HH21 ARG 55 -9.133 -4.909 14.258 429 HH12 ARG 55 HH22 ARG 55 -7.518 -5.434 14.597 430 HH21 ARG 55 HH11 ARG 55 -7.350 -7.558 11.862 431 HH22 ARG 55 HH12 ARG 55 -6.509 -6.934 13.241 432 H GLY 56 HN GLY 56 -10.053 -1.916 12.459 433 HA2 GLY 56 HA2 GLY 56 -11.871 0.158 11.559 434 HA3 GLY 56 HA1 GLY 56 -11.318 -0.078 13.219 435 H SER 57 HN SER 57 -8.888 0.160 10.745 436 HA SER 57 HA SER 57 -7.987 2.689 11.974 437 HB2 SER 57 HB2 SER 57 -6.608 0.511 11.085 438 HB3 SER 57 HB1 SER 57 -6.474 1.575 9.690 439 HG SER 57 HG SER 57 -6.059 3.124 11.708 440 H LEU 58 HN LEU 58 -9.679 1.616 9.196 441 HA LEU 58 HA LEU 58 -9.328 4.297 7.913 442 HB2 LEU 58 HB2 LEU 58 -10.252 1.846 6.439 443 HB3 LEU 58 HB1 LEU 58 -9.531 3.317 5.796 444 HG LEU 58 HG LEU 58 -8.089 1.255 7.493 445 HD11 LEU 58 HD11 LEU 58 -7.570 1.949 4.604 446 HD12 LEU 58 HD12 LEU 58 -8.739 0.709 5.055 447 HD13 LEU 58 HD13 LEU 58 -7.042 0.528 5.505 448 HD21 LEU 58 HD21 LEU 58 -7.437 3.997 6.563 449 HD22 LEU 58 HD22 LEU 58 -6.177 2.793 6.305 450 HD23 LEU 58 HD23 LEU 58 -6.790 3.089 7.930 451 H PHE 59 HN PHE 59 -11.337 4.787 6.471 452 HA PHE 59 HA PHE 59 -13.782 4.121 8.059 453 HB2 PHE 59 HB2 PHE 59 -13.223 6.592 6.397 454 HB3 PHE 59 HB1 PHE 59 -14.665 6.295 7.371 455 HD1 PHE 59 HD2 PHE 59 -10.936 6.508 7.636 456 HD2 PHE 59 HD1 PHE 59 -14.719 6.933 9.628 457 HE1 PHE 59 HE2 PHE 59 -9.783 7.412 9.637 458 HE2 PHE 59 HE1 PHE 59 -13.565 7.837 11.627 459 HZ PHE 59 HZ PHE 59 -11.097 8.076 11.632 460 H MET 60 HN MET 60 -15.091 2.745 6.979 461 HA MET 60 HA MET 60 -14.826 2.392 4.083 462 HB2 MET 60 HB2 MET 60 -16.701 1.126 6.103 463 HB3 MET 60 HB1 MET 60 -16.573 0.645 4.410 464 HG2 MET 60 HG2 MET 60 -15.175 -0.861 5.640 465 HG3 MET 60 HG1 MET 60 -14.090 0.268 4.831 466 HE1 MET 60 HE1 MET 60 -11.902 0.163 6.572 467 HE2 MET 60 HE2 MET 60 -12.891 -1.295 6.629 468 HE3 MET 60 HE3 MET 60 -12.324 -0.564 8.128 469 H CYS 61 HN CYS 61 -16.371 2.913 2.530 470 HA CYS 61 HA CYS 61 -18.402 4.924 3.370 471 HB2 CYS 61 HB2 CYS 61 -17.179 5.859 1.615 472 HB3 CYS 61 HB1 CYS 61 -16.964 4.308 0.806 473 H SER 62 HN SER 62 -20.226 3.770 3.974 474 HA SER 62 HA SER 62 -21.058 1.382 2.497 475 HB2 SER 62 HB2 SER 62 -21.747 2.686 5.005 476 HB3 SER 62 HB1 SER 62 -23.187 2.192 4.120 477 HG SER 62 HG SER 62 -22.728 0.229 4.677 478 H ILE 63 HN ILE 63 -21.961 4.784 2.618 479 HA ILE 63 HA ILE 63 -24.446 4.866 1.430 480 HB ILE 63 HB ILE 63 -22.056 6.570 0.675 481 HG12 ILE 63 HG12 ILE 63 -23.961 7.747 2.499 482 HG13 ILE 63 HG11 ILE 63 -23.387 6.214 3.144 483 HG21 ILE 63 HG21 ILE 63 -23.876 8.277 0.230 484 HG22 ILE 63 HG22 ILE 63 -25.045 6.964 0.368 485 HG23 ILE 63 HG23 ILE 63 -23.832 6.934 -0.913 486 HD11 ILE 63 HD11 ILE 63 -21.655 8.512 2.196 487 HD12 ILE 63 HD12 ILE 63 -21.048 6.954 2.756 488 HD13 ILE 63 HD13 ILE 63 -21.904 8.018 3.870 489 H VAL 64 HN VAL 64 -25.297 4.082 -0.422 490 HA VAL 64 HA VAL 64 -25.432 3.041 -2.515 491 HB VAL 64 HB VAL 64 -23.218 5.053 -2.922 492 HG11 VAL 64 HG11 VAL 64 -22.631 3.528 -4.585 493 HG12 VAL 64 HG12 VAL 64 -23.816 4.523 -5.431 494 HG13 VAL 64 HG13 VAL 64 -24.287 2.953 -4.781 495 HG21 VAL 64 HG21 VAL 64 -24.932 6.262 -4.132 496 HG22 VAL 64 HG22 VAL 64 -25.610 5.781 -2.576 497 HG23 VAL 64 HG23 VAL 64 -26.032 4.887 -4.035 498 H GLN 65 HN GLN 65 -24.896 0.903 -2.361 499 HA GLN 65 HA GLN 65 -22.398 -0.159 -1.562 500 HB2 GLN 65 HB2 GLN 65 -23.893 -1.709 -3.601 501 HB3 GLN 65 HB1 GLN 65 -23.342 -2.196 -1.998 502 HG2 GLN 65 HG2 GLN 65 -25.162 -0.598 -1.096 503 HG3 GLN 65 HG1 GLN 65 -25.818 -0.638 -2.733 504 HE21 GLN 65 HE21 GLN 65 -26.741 -2.660 -3.501 505 HE22 GLN 65 HE22 GLN 65 -27.054 -3.954 -2.448 506 H GLY 66 HN GLY 66 -21.528 -1.884 -3.570 507 HA2 GLY 66 HA2 GLY 66 -20.291 -1.966 -5.578 508 HA3 GLY 66 HA1 GLY 66 -21.048 -0.444 -6.052 509 H CYS 67 HN CYS 67 -20.281 1.455 -4.488 510 HA CYS 67 HA CYS 67 -17.418 1.688 -4.881 511 HB2 CYS 67 HB2 CYS 67 -17.776 3.900 -4.509 512 HB3 CYS 67 HB1 CYS 67 -19.489 3.482 -4.551 513 H LYS 68 HN LYS 68 -15.930 2.254 -3.032 514 HA LYS 68 HA LYS 68 -16.556 1.608 -0.323 515 HB2 LYS 68 HB2 LYS 68 -15.149 -0.568 -0.301 516 HB3 LYS 68 HB1 LYS 68 -16.806 -0.675 -0.893 517 HG2 LYS 68 HG2 LYS 68 -16.147 -0.891 -3.113 518 HG3 LYS 68 HG1 LYS 68 -14.609 -0.071 -2.840 519 HD2 LYS 68 HD2 LYS 68 -13.786 -2.011 -1.567 520 HD3 LYS 68 HD1 LYS 68 -15.328 -2.832 -1.812 521 HE2 LYS 68 HE2 LYS 68 -14.953 -3.140 -4.101 522 HE3 LYS 68 HE1 LYS 68 -13.777 -1.829 -4.183 523 HZ1 LYS 68 HZ1 LYS 68 -12.929 -4.229 -4.213 524 HZ2 LYS 68 HZ2 LYS 68 -13.256 -4.226 -2.545 525 HZ3 LYS 68 HZ3 LYS 68 -12.145 -3.119 -3.198 526 H ARG 69 HN ARG 69 -15.061 3.583 -1.768 527 HA ARG 69 HA ARG 69 -12.220 3.007 -1.510 528 HB2 ARG 69 HB2 ARG 69 -13.713 5.625 -1.853 529 HB3 ARG 69 HB1 ARG 69 -11.960 5.453 -1.940 530 HG2 ARG 69 HG2 ARG 69 -12.398 3.670 -3.747 531 HG3 ARG 69 HG1 ARG 69 -14.042 4.306 -3.803 532 HD2 ARG 69 HD2 ARG 69 -11.473 5.621 -4.604 533 HD3 ARG 69 HD1 ARG 69 -13.034 5.625 -5.424 534 HE ARG 69 HE ARG 69 -13.207 7.010 -2.899 535 HH11 ARG 69 HH21 ARG 69 -12.059 7.208 -6.143 536 HH12 ARG 69 HH22 ARG 69 -12.173 8.935 -6.219 537 HH21 ARG 69 HH11 ARG 69 -13.361 9.262 -2.978 538 HH22 ARG 69 HH12 ARG 69 -12.911 10.098 -4.427 539 H THR 70 HN THR 70 -11.357 2.733 0.496 540 HA THR 70 HA THR 70 -12.551 3.976 2.853 541 HB THR 70 HB THR 70 -10.028 3.038 3.575 542 HG1 THR 70 HG1 THR 70 -10.537 0.831 2.428 543 HG21 THR 70 HG21 THR 70 -11.300 1.108 4.475 544 HG22 THR 70 HG22 THR 70 -12.691 1.603 3.510 545 HG23 THR 70 HG23 THR 70 -12.098 2.645 4.803 546 H TYR 71 HN TYR 71 -10.847 5.069 4.414 547 HA TYR 71 HA TYR 71 -8.812 6.670 3.080 548 HB2 TYR 71 HB2 TYR 71 -11.342 7.957 4.134 549 HB3 TYR 71 HB1 TYR 71 -9.860 8.849 3.785 550 HD1 TYR 71 HD2 TYR 71 -8.969 8.953 1.464 551 HD2 TYR 71 HD1 TYR 71 -12.754 7.134 2.359 552 HE1 TYR 71 HE2 TYR 71 -9.578 9.041 -0.937 553 HE2 TYR 71 HE1 TYR 71 -13.363 7.218 -0.043 554 HH TYR 71 HH TYR 71 -11.067 7.972 -2.494 555 H LEU 72 HN LEU 72 -8.303 8.545 4.974 556 HA LEU 72 HA LEU 72 -7.938 6.925 7.455 557 HB2 LEU 72 HB2 LEU 72 -6.157 9.212 7.197 558 HB3 LEU 72 HB1 LEU 72 -5.766 7.519 7.481 559 HG LEU 72 HG LEU 72 -6.412 8.739 4.777 560 HD11 LEU 72 HD11 LEU 72 -3.936 8.418 6.319 561 HD12 LEU 72 HD12 LEU 72 -4.253 9.408 4.894 562 HD13 LEU 72 HD13 LEU 72 -3.852 7.701 4.710 563 HD21 LEU 72 HD21 LEU 72 -6.461 6.030 5.731 564 HD22 LEU 72 HD22 LEU 72 -5.087 6.210 4.642 565 HD23 LEU 72 HD23 LEU 72 -6.710 6.610 4.085 566 H SER 73 HN SER 73 -9.543 9.611 6.209 567 HA SER 73 HA SER 73 -10.123 10.525 8.972 568 HB2 SER 73 HB2 SER 73 -9.524 12.580 6.856 569 HB3 SER 73 HB1 SER 73 -9.560 12.776 8.606 570 HG SER 73 HG SER 73 -7.699 11.415 8.682 571 H GLN 74 HN GLN 74 -12.288 10.744 9.164 572 HA GLN 74 HA GLN 74 -14.187 10.180 7.239 573 HB2 GLN 74 HB2 GLN 74 -14.431 10.832 9.789 574 HB3 GLN 74 HB1 GLN 74 -14.776 12.433 9.131 575 HG2 GLN 74 HG2 GLN 74 -16.911 11.526 9.150 576 HG3 GLN 74 HG1 GLN 74 -16.388 11.066 7.531 577 HE21 GLN 74 HE21 GLN 74 -15.391 8.802 7.356 578 HE22 GLN 74 HE22 GLN 74 -15.985 7.591 8.388 579 H ARG 75 HN ARG 75 -12.346 13.115 7.605 580 HA ARG 75 HA ARG 75 -13.947 14.848 5.996 581 HB2 ARG 75 HB2 ARG 75 -12.147 15.713 7.394 582 HB3 ARG 75 HB1 ARG 75 -10.955 14.795 6.474 583 HG2 ARG 75 HG2 ARG 75 -12.658 16.478 4.781 584 HG3 ARG 75 HG1 ARG 75 -11.711 17.402 5.947 585 HD2 ARG 75 HD2 ARG 75 -10.494 15.252 4.203 586 HD3 ARG 75 HD1 ARG 75 -10.565 16.945 3.714 587 HE ARG 75 HE ARG 75 -9.408 16.740 6.335 588 HH11 ARG 75 HH21 ARG 75 -8.837 16.134 2.989 589 HH12 ARG 75 HH22 ARG 75 -7.120 16.333 3.110 590 HH21 ARG 75 HH11 ARG 75 -7.170 17.004 6.512 591 HH22 ARG 75 HH12 ARG 75 -6.177 16.826 5.104 592 H ASP 76 HN ASP 76 -11.467 12.461 5.170 593 HA ASP 76 HA ASP 76 -11.455 13.245 2.351 594 HB2 ASP 76 HB2 ASP 76 -10.108 11.164 4.019 595 HB3 ASP 76 HB1 ASP 76 -10.229 10.881 2.284 596 H LEU 77 HN LEU 77 -12.861 10.714 4.350 597 HA LEU 77 HA LEU 77 -14.077 9.296 2.146 598 HB2 LEU 77 HB2 LEU 77 -13.652 8.154 4.264 599 HB3 LEU 77 HB1 LEU 77 -14.642 9.329 5.124 600 HG LEU 77 HG LEU 77 -16.081 8.146 2.883 601 HD11 LEU 77 HD11 LEU 77 -14.634 6.212 3.419 602 HD12 LEU 77 HD12 LEU 77 -16.316 5.904 3.851 603 HD13 LEU 77 HD13 LEU 77 -15.146 6.311 5.102 604 HD21 LEU 77 HD21 LEU 77 -16.999 9.463 4.815 605 HD22 LEU 77 HD22 LEU 77 -16.585 8.115 5.874 606 HD23 LEU 77 HD23 LEU 77 -17.785 7.900 4.600 607 H GLN 78 HN GLN 78 -14.883 11.963 4.266 608 HA GLN 78 HA GLN 78 -17.669 12.041 3.513 609 HB2 GLN 78 HB2 GLN 78 -16.866 13.202 5.559 610 HB3 GLN 78 HB1 GLN 78 -15.908 14.286 4.550 611 HG2 GLN 78 HG2 GLN 78 -18.009 15.376 5.160 612 HG3 GLN 78 HG1 GLN 78 -18.012 15.036 3.431 613 HE21 GLN 78 HE21 GLN 78 -19.373 13.211 2.672 614 HE22 GLN 78 HE22 GLN 78 -20.631 12.618 3.646 615 H ALA 79 HN ALA 79 -14.648 13.245 2.326 616 HA ALA 79 HA ALA 79 -15.810 14.947 0.276 617 HB1 ALA 79 HB1 ALA 79 -13.217 13.972 -0.478 618 HB2 ALA 79 HB2 ALA 79 -13.196 14.342 1.244 619 HB3 ALA 79 HB3 ALA 79 -13.653 15.585 0.083 620 H HIS 80 HN HIS 80 -15.280 11.546 0.713 621 HA HIS 80 HA HIS 80 -15.184 10.910 -2.128 622 HB2 HIS 80 HB2 HIS 80 -14.319 9.293 -0.522 623 HB3 HIS 80 HB1 HIS 80 -15.898 9.172 0.245 624 HD1 HIS 80 HD1 HIS 80 -14.000 8.089 -2.788 625 HD2 HIS 80 HD2 HIS 80 -17.857 7.736 -1.256 626 HE1 HIS 80 HE1 HIS 80 -15.168 6.329 -4.186 627 H ILE 81 HN ILE 81 -17.699 10.917 0.341 628 HA ILE 81 HA ILE 81 -19.861 10.023 -1.265 629 HB ILE 81 HB ILE 81 -20.278 12.161 0.785 630 HG12 ILE 81 HG12 ILE 81 -18.594 10.857 1.825 631 HG13 ILE 81 HG11 ILE 81 -20.119 10.361 2.543 632 HG21 ILE 81 HG21 ILE 81 -21.698 9.576 0.095 633 HG22 ILE 81 HG22 ILE 81 -22.246 11.216 -0.261 634 HG23 ILE 81 HG23 ILE 81 -22.169 10.655 1.407 635 HD11 ILE 81 HD11 ILE 81 -20.022 8.581 0.538 636 HD12 ILE 81 HD12 ILE 81 -19.244 8.279 2.090 637 HD13 ILE 81 HD13 ILE 81 -18.290 8.858 0.730 638 H ASN 82 HN ASN 82 -18.824 13.333 -0.522 639 HA ASN 82 HA ASN 82 -20.759 14.529 -2.288 640 HB2 ASN 82 HB2 ASN 82 -18.173 15.860 -1.517 641 HB3 ASN 82 HB1 ASN 82 -19.770 16.580 -1.726 642 HD21 ASN 82 HD21 ASN 82 -17.739 16.241 0.689 643 HD22 ASN 82 HD22 ASN 82 -18.766 15.770 1.956 644 H HIS 83 HN HIS 83 -17.691 13.020 -2.788 645 HA HIS 83 HA HIS 83 -17.238 14.486 -5.282 646 HB2 HIS 83 HB2 HIS 83 -15.749 12.304 -3.871 647 HB3 HIS 83 HB1 HIS 83 -15.344 12.750 -5.524 648 HD1 HIS 83 HD1 HIS 83 -13.041 13.724 -4.683 649 HD2 HIS 83 HD2 HIS 83 -16.403 15.664 -3.156 650 HE1 HIS 83 HE1 HIS 83 -12.217 15.895 -3.668 651 HE2 HIS 83 HE2 HIS 83 -14.255 17.083 -2.736 652 H ARG 84 HN ARG 84 -18.625 11.357 -4.385 653 HA ARG 84 HA ARG 84 -19.025 10.855 -7.305 654 HB2 ARG 84 HB2 ARG 84 -18.881 8.507 -5.497 655 HB3 ARG 84 HB1 ARG 84 -18.345 8.675 -7.162 656 HG2 ARG 84 HG2 ARG 84 -16.901 10.002 -4.840 657 HG3 ARG 84 HG1 ARG 84 -16.494 8.404 -5.441 658 HD2 ARG 84 HD2 ARG 84 -16.710 10.599 -7.449 659 HD3 ARG 84 HD1 ARG 84 -15.294 10.581 -6.400 660 HE ARG 84 HE ARG 84 -15.438 7.980 -7.309 661 HH11 ARG 84 HH21 ARG 84 -15.472 11.111 -8.751 662 HH12 ARG 84 HH22 ARG 84 -14.716 10.590 -10.220 663 HH21 ARG 84 HH11 ARG 84 -14.451 7.281 -9.219 664 HH22 ARG 84 HH12 ARG 84 -14.138 8.421 -10.485 665 H HIS 85 HN HIS 85 -20.491 10.871 -4.156 666 HA HIS 85 HA HIS 85 -22.933 9.598 -5.278 667 HB2 HIS 85 HB2 HIS 85 -22.387 10.291 -2.392 668 HB3 HIS 85 HB1 HIS 85 -23.605 9.184 -3.021 669 HD1 HIS 85 HD1 HIS 85 -22.926 6.821 -2.692 670 HD2 HIS 85 HD2 HIS 85 -19.618 9.253 -3.421 671 HE1 HIS 85 HE1 HIS 85 -20.900 5.302 -2.665 672 H MET 86 HN MET 86 -21.868 12.408 -3.414 673 HA MET 86 HA MET 86 -22.992 14.429 -2.948 674 HB2 MET 86 HB2 MET 86 -22.190 14.297 -5.499 675 HB3 MET 86 HB1 MET 86 -23.927 14.453 -5.773 676 HG2 MET 86 HG2 MET 86 -23.754 16.382 -3.999 677 HG3 MET 86 HG1 MET 86 -22.043 16.371 -4.432 678 HE1 MET 86 HE1 MET 86 -25.352 18.471 -6.457 679 HE2 MET 86 HE2 MET 86 -24.817 18.327 -4.784 680 HE3 MET 86 HE3 MET 86 -25.695 16.998 -5.538 681 H ARG 87 HN ARG 87 -24.625 12.046 -2.513 682 HA ARG 87 HA ARG 87 -27.278 12.534 -3.583 683 HB2 ARG 87 HB2 ARG 87 -26.256 10.332 -2.605 684 HB3 ARG 87 HB1 ARG 87 -26.758 10.995 -1.049 685 HG2 ARG 87 HG2 ARG 87 -29.031 11.418 -2.393 686 HG3 ARG 87 HG1 ARG 87 -28.428 10.054 -3.337 687 HD2 ARG 87 HD2 ARG 87 -29.606 8.946 -1.662 688 HD3 ARG 87 HD1 ARG 87 -27.988 8.994 -0.960 689 HE ARG 87 HE ARG 87 -29.581 11.317 -0.233 690 HH11 ARG 87 HH21 ARG 87 -28.854 8.008 0.405 691 HH12 ARG 87 HH22 ARG 87 -29.324 8.087 2.070 692 HH21 ARG 87 HH11 ARG 87 -30.201 11.440 1.937 693 HH22 ARG 87 HH12 ARG 87 -30.088 10.029 2.938 694 H ALA 88 HN ALA 88 -26.246 12.600 -0.155 695 HA ALA 88 HA ALA 88 -26.751 14.167 1.530 696 HB1 ALA 88 HB1 ALA 88 -26.461 15.740 -0.657 697 HB2 ALA 88 HB2 ALA 88 -26.950 16.365 0.918 698 HB3 ALA 88 HB3 ALA 88 -28.168 16.018 -0.310 699 H GLY 89 HN GLY 89 -28.841 15.326 2.420 700 HA2 GLY 89 HA2 GLY 89 -31.234 15.332 2.643 701 HA3 GLY 89 HA1 GLY 89 -31.325 14.054 1.431 Start of MODEL 18 1 H1 VAL 1 HT1 VAL 1 -13.739 -4.333 4.228 2 H2 VAL 1 HT2 VAL 1 -14.738 -5.451 3.429 3 H3 VAL 1 HT3 VAL 1 -13.080 -5.772 3.617 4 HA VAL 1 HA VAL 1 -14.124 -5.307 6.161 5 HB VAL 1 HB VAL 1 -15.570 -7.613 4.916 6 HG11 VAL 1 HG11 VAL 1 -15.349 -6.843 7.450 7 HG12 VAL 1 HG12 VAL 1 -16.868 -7.492 6.831 8 HG13 VAL 1 HG13 VAL 1 -16.654 -5.748 6.991 9 HG21 VAL 1 HG21 VAL 1 -16.193 -4.706 4.544 10 HG22 VAL 1 HG22 VAL 1 -17.533 -5.817 4.822 11 HG23 VAL 1 HG23 VAL 1 -16.462 -6.057 3.442 12 H HIS 2 HN HIS 2 -14.485 -8.210 6.601 13 HA HIS 2 HA HIS 2 -11.625 -8.919 6.554 14 HB2 HIS 2 HB2 HIS 2 -12.353 -10.819 8.000 15 HB3 HIS 2 HB1 HIS 2 -12.766 -9.234 8.656 16 HD1 HIS 2 HD1 HIS 2 -14.594 -11.060 9.864 17 HD2 HIS 2 HD2 HIS 2 -15.261 -9.863 5.923 18 HE1 HIS 2 HE1 HIS 2 -17.037 -11.526 9.376 19 HE2 HIS 2 HE2 HIS 2 -17.454 -10.802 6.981 20 H PHE 3 HN PHE 3 -12.422 -8.997 4.014 21 HA PHE 3 HA PHE 3 -12.323 -11.849 3.372 22 HB2 PHE 3 HB2 PHE 3 -14.298 -11.979 2.111 23 HB3 PHE 3 HB1 PHE 3 -14.790 -11.072 3.538 24 HD1 PHE 3 HD2 PHE 3 -14.146 -8.385 3.225 25 HD2 PHE 3 HD1 PHE 3 -15.186 -11.166 0.118 26 HE1 PHE 3 HE2 PHE 3 -14.864 -6.505 1.782 27 HE2 PHE 3 HE1 PHE 3 -15.905 -9.283 -1.324 28 HZ PHE 3 HZ PHE 3 -15.744 -6.953 -0.493 29 H CYS 4 HN CYS 4 -10.525 -11.828 2.156 30 HA CYS 4 HA CYS 4 -9.361 -9.747 0.724 31 HB2 CYS 4 HB2 CYS 4 -8.385 -12.051 1.092 32 HB3 CYS 4 HB1 CYS 4 -9.415 -12.634 -0.212 33 H ASP 5 HN ASP 5 -9.663 -8.880 -1.366 34 HA ASP 5 HA ASP 5 -12.313 -9.411 -2.526 35 HB2 ASP 5 HB2 ASP 5 -10.498 -7.179 -2.437 36 HB3 ASP 5 HB1 ASP 5 -10.909 -7.540 -4.114 37 H LYS 6 HN LYS 6 -8.925 -10.018 -3.305 38 HA LYS 6 HA LYS 6 -9.679 -10.885 -6.021 39 HB2 LYS 6 HB2 LYS 6 -7.639 -9.567 -5.759 40 HB3 LYS 6 HB1 LYS 6 -6.979 -10.768 -4.654 41 HG2 LYS 6 HG2 LYS 6 -7.929 -11.799 -7.270 42 HG3 LYS 6 HG1 LYS 6 -6.510 -10.760 -7.336 43 HD2 LYS 6 HD2 LYS 6 -5.181 -12.272 -6.221 44 HD3 LYS 6 HD1 LYS 6 -6.513 -12.901 -5.254 45 HE2 LYS 6 HE2 LYS 6 -7.265 -14.309 -6.946 46 HE3 LYS 6 HE1 LYS 6 -6.482 -13.369 -8.215 47 HZ1 LYS 6 HZ1 LYS 6 -4.351 -14.126 -7.483 48 HZ2 LYS 6 HZ2 LYS 6 -5.346 -15.485 -7.712 49 HZ3 LYS 6 HZ3 LYS 6 -5.027 -14.918 -6.143 50 H CYS 7 HN CYS 7 -8.450 -12.293 -2.998 51 HA CYS 7 HA CYS 7 -8.622 -14.984 -4.230 52 HB2 CYS 7 HB2 CYS 7 -7.749 -14.806 -1.430 53 HB3 CYS 7 HB1 CYS 7 -7.006 -15.644 -2.792 54 H GLY 8 HN GLY 8 -10.269 -12.956 -1.926 55 HA2 GLY 8 HA2 GLY 8 -12.425 -13.347 -1.011 56 HA3 GLY 8 HA1 GLY 8 -12.390 -14.965 -1.710 57 H LEU 9 HN LEU 9 -9.530 -14.422 -0.007 58 HA LEU 9 HA LEU 9 -10.474 -16.173 2.176 59 HB2 LEU 9 HB2 LEU 9 -7.856 -15.375 1.041 60 HB3 LEU 9 HB1 LEU 9 -7.869 -15.611 2.788 61 HG LEU 9 HG LEU 9 -8.854 -17.846 2.491 62 HD11 LEU 9 HD11 LEU 9 -10.139 -17.844 0.562 63 HD12 LEU 9 HD12 LEU 9 -8.682 -18.634 -0.043 64 HD13 LEU 9 HD13 LEU 9 -8.949 -16.919 -0.353 65 HD21 LEU 9 HD21 LEU 9 -6.327 -17.165 0.992 66 HD22 LEU 9 HD22 LEU 9 -6.885 -18.833 1.112 67 HD23 LEU 9 HD23 LEU 9 -6.494 -17.925 2.573 68 HA PRO 10 HA PRO 10 -11.209 -12.933 5.073 69 HB2 PRO 10 HB2 PRO 10 -9.912 -13.917 7.332 70 HB3 PRO 10 HB1 PRO 10 -11.581 -14.266 6.848 71 HG2 PRO 10 HG2 PRO 10 -9.138 -15.908 6.515 72 HG3 PRO 10 HG1 PRO 10 -10.816 -16.413 6.769 73 HD2 PRO 10 HD2 PRO 10 -9.592 -16.579 4.338 74 HD3 PRO 10 HD1 PRO 10 -11.338 -16.289 4.511 75 H ILE 11 HN ILE 11 -10.260 -11.020 5.578 76 HA ILE 11 HA ILE 11 -7.391 -10.713 5.030 77 HB ILE 11 HB ILE 11 -9.504 -8.673 5.780 78 HG12 ILE 11 HG12 ILE 11 -8.310 -9.225 3.066 79 HG13 ILE 11 HG11 ILE 11 -9.798 -10.000 3.610 80 HG21 ILE 11 HG21 ILE 11 -7.358 -7.609 4.229 81 HG22 ILE 11 HG22 ILE 11 -6.666 -8.480 5.594 82 HG23 ILE 11 HG23 ILE 11 -7.826 -7.184 5.875 83 HD11 ILE 11 HD11 ILE 11 -11.013 -8.118 3.321 84 HD12 ILE 11 HD12 ILE 11 -9.649 -7.532 2.372 85 HD13 ILE 11 HD13 ILE 11 -9.782 -7.108 4.077 86 H LYS 12 HN LYS 12 -5.960 -11.007 6.650 87 HA LYS 12 HA LYS 12 -6.797 -10.802 9.457 88 HB2 LYS 12 HB2 LYS 12 -4.170 -11.144 9.696 89 HB3 LYS 12 HB1 LYS 12 -5.216 -12.495 9.257 90 HG2 LYS 12 HG2 LYS 12 -4.604 -12.401 6.993 91 HG3 LYS 12 HG1 LYS 12 -4.032 -10.737 7.119 92 HD2 LYS 12 HD2 LYS 12 -2.184 -12.441 6.966 93 HD3 LYS 12 HD1 LYS 12 -2.105 -11.430 8.408 94 HE2 LYS 12 HE2 LYS 12 -2.963 -13.155 9.798 95 HE3 LYS 12 HE1 LYS 12 -3.507 -14.105 8.415 96 HZ1 LYS 12 HZ1 LYS 12 -0.677 -13.480 8.470 97 HZ2 LYS 12 HZ2 LYS 12 -1.465 -14.928 8.061 98 HZ3 LYS 12 HZ3 LYS 12 -1.208 -14.529 9.692 99 H VAL 13 HN VAL 13 -5.129 -8.892 7.054 100 HA VAL 13 HA VAL 13 -5.133 -6.598 8.914 101 HB VAL 13 HB VAL 13 -2.698 -7.030 7.259 102 HG11 VAL 13 HG11 VAL 13 -3.220 -5.765 9.963 103 HG12 VAL 13 HG12 VAL 13 -3.019 -4.904 8.438 104 HG13 VAL 13 HG13 VAL 13 -1.660 -5.781 9.142 105 HG21 VAL 13 HG21 VAL 13 -1.627 -8.200 9.211 106 HG22 VAL 13 HG22 VAL 13 -2.868 -9.161 8.410 107 HG23 VAL 13 HG23 VAL 13 -3.228 -8.350 9.933 108 H TYR 14 HN TYR 14 -5.328 -4.616 7.739 109 HA TYR 14 HA TYR 14 -6.378 -4.966 5.043 110 HB2 TYR 14 HB2 TYR 14 -6.083 -2.665 6.916 111 HB3 TYR 14 HB1 TYR 14 -6.351 -2.346 5.207 112 HD1 TYR 14 HD1 TYR 14 -7.674 -5.244 7.159 113 HD2 TYR 14 HD2 TYR 14 -8.568 -1.515 5.231 114 HE1 TYR 14 HE1 TYR 14 -10.093 -5.678 7.447 115 HE2 TYR 14 HE2 TYR 14 -10.991 -1.944 5.525 116 HH TYR 14 HH TYR 14 -12.509 -3.706 5.907 117 H GLY 15 HN GLY 15 -4.753 -5.506 3.637 118 HA2 GLY 15 HA2 GLY 15 -2.190 -4.154 3.599 119 HA3 GLY 15 HA1 GLY 15 -2.803 -5.233 2.338 120 H ARG 16 HN ARG 16 -2.938 -1.986 3.600 121 HA ARG 16 HA ARG 16 -4.723 -0.870 1.676 122 HB2 ARG 16 HB2 ARG 16 -4.044 0.305 3.751 123 HB3 ARG 16 HB1 ARG 16 -2.418 0.498 3.097 124 HG2 ARG 16 HG2 ARG 16 -3.041 2.274 1.854 125 HG3 ARG 16 HG1 ARG 16 -4.435 1.408 1.207 126 HD2 ARG 16 HD2 ARG 16 -5.756 1.954 3.167 127 HD3 ARG 16 HD1 ARG 16 -4.354 2.672 3.961 128 HE ARG 16 HE ARG 16 -6.013 3.958 1.951 129 HH11 ARG 16 HH21 ARG 16 -2.861 3.662 3.316 130 HH12 ARG 16 HH22 ARG 16 -2.369 5.258 2.861 131 HH21 ARG 16 HH11 ARG 16 -5.388 6.046 1.347 132 HH22 ARG 16 HH12 ARG 16 -3.799 6.608 1.746 133 H MET 17 HN MET 17 -4.365 0.153 -0.286 134 HA MET 17 HA MET 17 -1.667 -0.239 -1.521 135 HB2 MET 17 HB2 MET 17 -4.285 -0.449 -3.008 136 HB3 MET 17 HB1 MET 17 -2.692 -0.986 -3.525 137 HG2 MET 17 HG2 MET 17 -2.929 -2.416 -1.247 138 HG3 MET 17 HG1 MET 17 -4.627 -2.283 -1.693 139 HE1 MET 17 HE1 MET 17 -1.165 -2.657 -3.074 140 HE2 MET 17 HE2 MET 17 -1.184 -4.096 -4.085 141 HE3 MET 17 HE3 MET 17 -1.323 -4.254 -2.339 142 H ILE 18 HN ILE 18 -0.877 1.554 -2.549 143 HA ILE 18 HA ILE 18 -2.765 3.798 -3.100 144 HB ILE 18 HB ILE 18 -0.354 5.049 -2.853 145 HG12 ILE 18 HG12 ILE 18 -0.360 2.823 -0.802 146 HG13 ILE 18 HG11 ILE 18 0.723 2.933 -2.193 147 HG21 ILE 18 HG21 ILE 18 -2.511 5.648 -1.720 148 HG22 ILE 18 HG22 ILE 18 -1.130 5.769 -0.636 149 HG23 ILE 18 HG23 ILE 18 -2.207 4.376 -0.538 150 HD11 ILE 18 HD11 ILE 18 0.530 4.866 0.131 151 HD12 ILE 18 HD12 ILE 18 1.473 5.179 -1.325 152 HD13 ILE 18 HD13 ILE 18 1.895 3.827 -0.274 153 HA PRO 19 HA PRO 19 -2.287 5.870 -4.020 154 HB2 PRO 19 HB2 PRO 19 -3.103 7.125 -6.268 155 HB3 PRO 19 HB1 PRO 19 -1.424 7.213 -5.702 156 HG2 PRO 19 HG2 PRO 19 -2.598 5.604 -7.900 157 HG3 PRO 19 HG1 PRO 19 -1.012 6.383 -7.788 158 HD2 PRO 19 HD2 PRO 19 -1.502 3.665 -7.346 159 HD3 PRO 19 HD1 PRO 19 -0.058 4.547 -6.814 160 H CYS 20 HN CYS 20 -3.418 3.184 -5.528 161 HA CYS 20 HA CYS 20 -6.063 3.746 -6.337 162 HB2 CYS 20 HB2 CYS 20 -4.525 1.482 -6.102 163 HB3 CYS 20 HB1 CYS 20 -5.722 1.234 -4.833 164 H LYS 21 HN LYS 21 -4.727 3.158 -3.120 165 HA LYS 21 HA LYS 21 -5.606 3.750 -1.021 166 HB2 LYS 21 HB2 LYS 21 -6.794 5.578 -2.651 167 HB3 LYS 21 HB1 LYS 21 -8.210 4.677 -2.107 168 HG2 LYS 21 HG2 LYS 21 -7.506 5.005 0.244 169 HG3 LYS 21 HG1 LYS 21 -6.115 5.936 -0.311 170 HD2 LYS 21 HD2 LYS 21 -8.514 6.952 -1.545 171 HD3 LYS 21 HD1 LYS 21 -8.723 6.900 0.205 172 HE2 LYS 21 HE2 LYS 21 -6.358 8.152 -1.222 173 HE3 LYS 21 HE1 LYS 21 -7.718 9.046 -0.544 174 HZ1 LYS 21 HZ1 LYS 21 -5.422 8.138 0.765 175 HZ2 LYS 21 HZ2 LYS 21 -6.746 7.288 1.406 176 HZ3 LYS 21 HZ3 LYS 21 -6.736 8.987 1.422 177 H HIS 22 HN HIS 22 -6.066 1.272 -2.588 178 HA HIS 22 HA HIS 22 -8.699 0.380 -1.520 179 HB2 HIS 22 HB2 HIS 22 -6.821 -0.687 -3.616 180 HB3 HIS 22 HB1 HIS 22 -8.034 -1.739 -2.891 181 HD2 HIS 22 HD2 HIS 22 -10.621 0.255 -2.843 182 HE1 HIS 22 HE1 HIS 22 -9.835 0.880 -6.944 183 HE2 HIS 22 HE2 HIS 22 -11.576 1.109 -5.114 184 H VAL 23 HN VAL 23 -8.514 -2.113 -0.791 185 HA VAL 23 HA VAL 23 -5.996 -2.558 0.687 186 HB VAL 23 HB VAL 23 -6.865 -2.546 2.814 187 HG11 VAL 23 HG11 VAL 23 -8.304 -0.601 3.092 188 HG12 VAL 23 HG12 VAL 23 -8.779 -0.674 1.397 189 HG13 VAL 23 HG13 VAL 23 -7.117 -0.279 1.832 190 HG21 VAL 23 HG21 VAL 23 -9.424 -2.724 3.165 191 HG22 VAL 23 HG22 VAL 23 -8.569 -4.182 2.669 192 HG23 VAL 23 HG23 VAL 23 -9.487 -3.248 1.484 193 H PHE 24 HN PHE 24 -5.701 -4.728 1.372 194 HA PHE 24 HA PHE 24 -7.726 -6.737 0.636 195 HB2 PHE 24 HB2 PHE 24 -4.964 -6.789 -0.625 196 HB3 PHE 24 HB1 PHE 24 -6.255 -7.968 -0.874 197 HD1 PHE 24 HD2 PHE 24 -5.130 -4.536 -1.540 198 HD2 PHE 24 HD1 PHE 24 -8.182 -7.457 -2.259 199 HE1 PHE 24 HE2 PHE 24 -6.051 -3.118 -3.351 200 HE2 PHE 24 HE1 PHE 24 -9.111 -6.046 -4.068 201 HZ PHE 24 HZ PHE 24 -8.046 -3.874 -4.622 202 H CYS 25 HN CYS 25 -6.128 -8.987 0.809 203 HA CYS 25 HA CYS 25 -5.501 -9.004 3.652 204 HB2 CYS 25 HB2 CYS 25 -4.497 -11.312 2.965 205 HB3 CYS 25 HB1 CYS 25 -6.244 -11.092 2.811 206 H TYR 26 HN TYR 26 -3.686 -7.955 4.334 207 HA TYR 26 HA TYR 26 -1.562 -7.119 2.704 208 HB2 TYR 26 HB2 TYR 26 -1.982 -6.372 5.068 209 HB3 TYR 26 HB1 TYR 26 -1.321 -7.910 5.614 210 HD1 TYR 26 HD2 TYR 26 -0.287 -5.293 3.061 211 HD2 TYR 26 HD1 TYR 26 0.842 -7.744 6.412 212 HE1 TYR 26 HE2 TYR 26 2.006 -4.385 2.959 213 HE2 TYR 26 HE1 TYR 26 3.137 -6.826 6.304 214 HH TYR 26 HH TYR 26 4.377 -5.081 5.447 215 H ASP 27 HN ASP 27 -2.366 -10.291 3.540 216 HA ASP 27 HA ASP 27 0.344 -11.356 3.478 217 HB2 ASP 27 HB2 ASP 27 -1.916 -12.381 4.467 218 HB3 ASP 27 HB1 ASP 27 -2.011 -13.082 2.851 219 H CYS 28 HN CYS 28 -2.383 -11.327 1.173 220 HA CYS 28 HA CYS 28 -0.669 -12.429 -0.916 221 HB2 CYS 28 HB2 CYS 28 -3.352 -11.070 -1.292 222 HB3 CYS 28 HB1 CYS 28 -2.570 -12.208 -2.385 223 H ALA 29 HN ALA 29 -1.552 -9.295 0.283 224 HA ALA 29 HA ALA 29 -0.839 -7.784 -2.037 225 HB1 ALA 29 HB1 ALA 29 -1.373 -5.993 -0.727 226 HB2 ALA 29 HB2 ALA 29 -0.350 -6.546 0.601 227 HB3 ALA 29 HB3 ALA 29 -1.969 -7.212 0.397 228 H ILE 30 HN ILE 30 1.009 -9.077 0.711 229 HA ILE 30 HA ILE 30 3.428 -7.703 -0.176 230 HB ILE 30 HB ILE 30 4.539 -8.846 1.638 231 HG12 ILE 30 HG12 ILE 30 1.996 -10.384 2.170 232 HG13 ILE 30 HG11 ILE 30 3.349 -11.088 1.297 233 HG21 ILE 30 HG21 ILE 30 1.943 -7.507 2.024 234 HG22 ILE 30 HG22 ILE 30 3.520 -7.130 2.700 235 HG23 ILE 30 HG23 ILE 30 2.536 -8.399 3.420 236 HD11 ILE 30 HD11 ILE 30 4.818 -10.534 3.250 237 HD12 ILE 30 HD12 ILE 30 3.555 -11.708 3.622 238 HD13 ILE 30 HD13 ILE 30 3.376 -10.028 4.129 239 H LEU 31 HN LEU 31 1.955 -10.881 -0.529 240 HA LEU 31 HA LEU 31 4.295 -12.137 -1.679 241 HB2 LEU 31 HB2 LEU 31 1.340 -12.716 -1.988 242 HB3 LEU 31 HB1 LEU 31 2.586 -13.708 -2.730 243 HG LEU 31 HG LEU 31 2.424 -13.120 0.242 244 HD11 LEU 31 HD11 LEU 31 1.965 -15.837 -0.190 245 HD12 LEU 31 HD12 LEU 31 1.003 -15.036 -1.432 246 HD13 LEU 31 HD13 LEU 31 0.756 -14.637 0.267 247 HD21 LEU 31 HD21 LEU 31 3.866 -15.441 -0.127 248 HD22 LEU 31 HD22 LEU 31 4.573 -13.847 0.126 249 HD23 LEU 31 HD23 LEU 31 4.375 -14.472 -1.509 250 H HIS 32 HN HIS 32 1.930 -9.881 -2.828 251 HA HIS 32 HA HIS 32 2.460 -10.340 -5.655 252 HB2 HIS 32 HB2 HIS 32 0.848 -8.440 -4.037 253 HB3 HIS 32 HB1 HIS 32 1.380 -7.865 -5.617 254 HD1 HIS 32 HD1 HIS 32 -0.925 -8.046 -6.752 255 HD2 HIS 32 HD2 HIS 32 0.370 -11.643 -5.081 256 HE1 HIS 32 HE1 HIS 32 -2.497 -9.841 -7.606 257 HE2 HIS 32 HE2 HIS 32 -1.718 -12.033 -6.594 258 H GLU 33 HN GLU 33 3.291 -7.720 -3.368 259 HA GLU 33 HA GLU 33 5.085 -6.420 -5.221 260 HB2 GLU 33 HB2 GLU 33 5.575 -4.941 -3.488 261 HB3 GLU 33 HB1 GLU 33 3.981 -5.519 -3.020 262 HG2 GLU 33 HG2 GLU 33 5.278 -7.362 -1.719 263 HG3 GLU 33 HG1 GLU 33 6.662 -6.283 -1.888 264 H LYS 34 HN LYS 34 5.440 -9.101 -3.025 265 HA LYS 34 HA LYS 34 8.354 -8.981 -2.973 266 HB2 LYS 34 HB2 LYS 34 6.322 -11.051 -2.120 267 HB3 LYS 34 HB1 LYS 34 8.056 -11.366 -2.057 268 HG2 LYS 34 HG2 LYS 34 8.420 -9.568 -0.518 269 HG3 LYS 34 HG1 LYS 34 6.787 -8.946 -0.757 270 HD2 LYS 34 HD2 LYS 34 5.827 -10.558 0.578 271 HD3 LYS 34 HD1 LYS 34 7.047 -11.767 0.175 272 HE2 LYS 34 HE2 LYS 34 7.735 -9.328 1.814 273 HE3 LYS 34 HE1 LYS 34 7.099 -10.792 2.565 274 HZ1 LYS 34 HZ1 LYS 34 9.674 -10.402 2.166 275 HZ2 LYS 34 HZ2 LYS 34 9.293 -11.123 0.675 276 HZ3 LYS 34 HZ3 LYS 34 8.974 -11.947 2.127 277 H LYS 35 HN LYS 35 5.854 -10.639 -4.819 278 HA LYS 35 HA LYS 35 7.799 -12.248 -6.284 279 HB2 LYS 35 HB2 LYS 35 4.824 -11.853 -6.425 280 HB3 LYS 35 HB1 LYS 35 5.667 -12.642 -7.759 281 HG2 LYS 35 HG2 LYS 35 6.493 -14.378 -6.334 282 HG3 LYS 35 HG1 LYS 35 6.000 -13.509 -4.880 283 HD2 LYS 35 HD2 LYS 35 3.650 -13.787 -5.455 284 HD3 LYS 35 HD1 LYS 35 4.084 -14.535 -6.993 285 HE2 LYS 35 HE2 LYS 35 5.229 -16.362 -5.751 286 HE3 LYS 35 HE1 LYS 35 4.698 -15.635 -4.235 287 HZ1 LYS 35 HZ1 LYS 35 3.292 -17.402 -5.832 288 HZ2 LYS 35 HZ2 LYS 35 2.514 -15.903 -6.006 289 HZ3 LYS 35 HZ3 LYS 35 2.724 -16.578 -4.462 290 H GLY 36 HN GLY 36 6.997 -9.041 -6.361 291 HA2 GLY 36 HA2 GLY 36 7.748 -7.405 -7.911 292 HA3 GLY 36 HA1 GLY 36 8.195 -8.704 -9.018 293 H ASP 37 HN ASP 37 5.018 -8.656 -7.594 294 HA ASP 37 HA ASP 37 3.823 -8.490 -10.254 295 HB2 ASP 37 HB2 ASP 37 3.078 -9.611 -7.783 296 HB3 ASP 37 HB1 ASP 37 1.906 -8.330 -8.091 297 H LYS 38 HN LYS 38 4.115 -6.440 -7.399 298 HA LYS 38 HA LYS 38 3.220 -4.309 -6.953 299 HB2 LYS 38 HB2 LYS 38 4.098 -2.693 -8.778 300 HB3 LYS 38 HB1 LYS 38 5.272 -3.635 -7.865 301 HG2 LYS 38 HG2 LYS 38 5.462 -5.252 -9.663 302 HG3 LYS 38 HG1 LYS 38 4.158 -4.464 -10.553 303 HD2 LYS 38 HD2 LYS 38 6.479 -2.775 -9.763 304 HD3 LYS 38 HD1 LYS 38 6.717 -3.925 -11.081 305 HE2 LYS 38 HE2 LYS 38 4.785 -3.003 -12.271 306 HE3 LYS 38 HE1 LYS 38 4.474 -1.890 -10.940 307 HZ1 LYS 38 HZ1 LYS 38 6.392 -0.690 -11.389 308 HZ2 LYS 38 HZ2 LYS 38 5.789 -1.038 -12.938 309 HZ3 LYS 38 HZ3 LYS 38 7.089 -1.933 -12.309 310 H MET 39 HN MET 39 1.173 -5.812 -7.907 311 HA MET 39 HA MET 39 -0.325 -3.851 -9.578 312 HB2 MET 39 HB2 MET 39 -1.235 -5.512 -10.940 313 HB3 MET 39 HB1 MET 39 0.408 -6.109 -10.710 314 HG2 MET 39 HG2 MET 39 -0.549 -7.369 -8.661 315 HG3 MET 39 HG1 MET 39 -2.131 -7.044 -9.373 316 HE1 MET 39 HE1 MET 39 -2.663 -9.475 -11.992 317 HE2 MET 39 HE2 MET 39 -2.944 -7.782 -11.597 318 HE3 MET 39 HE3 MET 39 -3.174 -9.017 -10.362 319 H CYS 40 HN CYS 40 -2.475 -3.518 -8.924 320 HA CYS 40 HA CYS 40 -3.106 -4.240 -6.180 321 HB2 CYS 40 HB2 CYS 40 -3.744 -2.066 -7.223 322 HB3 CYS 40 HB1 CYS 40 -4.863 -2.934 -8.272 323 HA PRO 41 HA PRO 41 -4.857 -8.269 -7.519 324 HB2 PRO 41 HB2 PRO 41 -6.143 -8.046 -4.833 325 HB3 PRO 41 HB1 PRO 41 -5.269 -9.411 -5.554 326 HG2 PRO 41 HG2 PRO 41 -4.171 -7.877 -3.680 327 HG3 PRO 41 HG1 PRO 41 -3.219 -8.554 -5.011 328 HD2 PRO 41 HD2 PRO 41 -4.114 -5.752 -4.580 329 HD3 PRO 41 HD1 PRO 41 -2.679 -6.366 -5.422 330 H GLY 42 HN GLY 42 -6.510 -5.400 -6.555 331 HA2 GLY 42 HA2 GLY 42 -9.158 -6.512 -7.339 332 HA3 GLY 42 HA1 GLY 42 -8.897 -4.977 -6.513 333 H CYS 43 HN CYS 43 -7.381 -3.450 -7.941 334 HA CYS 43 HA CYS 43 -8.783 -3.228 -10.523 335 HB2 CYS 43 HB2 CYS 43 -6.739 -1.234 -9.656 336 HB3 CYS 43 HB1 CYS 43 -8.285 -0.976 -10.464 337 H SER 44 HN SER 44 -5.698 -4.177 -9.292 338 HA SER 44 HA SER 44 -3.858 -5.090 -10.447 339 HB2 SER 44 HB2 SER 44 -4.238 -5.991 -12.525 340 HB3 SER 44 HB1 SER 44 -5.916 -5.653 -12.107 341 HG SER 44 HG SER 44 -4.225 -4.413 -13.917 342 H ASP 45 HN ASP 45 -4.109 -2.277 -9.775 343 HA ASP 45 HA ASP 45 -2.767 -0.915 -12.042 344 HB2 ASP 45 HB2 ASP 45 -3.911 0.887 -11.326 345 HB3 ASP 45 HB1 ASP 45 -4.600 -0.079 -10.021 346 HA PRO 46 HA PRO 46 1.236 -1.148 -10.229 347 HB2 PRO 46 HB2 PRO 46 2.157 1.455 -10.476 348 HB3 PRO 46 HB1 PRO 46 2.133 0.265 -11.789 349 HG2 PRO 46 HG2 PRO 46 0.247 2.487 -11.215 350 HG3 PRO 46 HG1 PRO 46 0.826 1.865 -12.769 351 HD2 PRO 46 HD2 PRO 46 -1.649 1.278 -11.798 352 HD3 PRO 46 HD1 PRO 46 -0.734 0.148 -12.821 353 H VAL 47 HN VAL 47 0.268 -1.488 -8.032 354 HA VAL 47 HA VAL 47 -0.373 0.561 -6.210 355 HB VAL 47 HB VAL 47 -0.016 -1.003 -4.456 356 HG11 VAL 47 HG11 VAL 47 -1.318 -1.744 -6.915 357 HG12 VAL 47 HG12 VAL 47 -1.762 -2.159 -5.274 358 HG13 VAL 47 HG13 VAL 47 -0.643 -3.184 -6.163 359 HG21 VAL 47 HG21 VAL 47 1.200 -3.228 -5.163 360 HG22 VAL 47 HG22 VAL 47 2.150 -1.832 -4.663 361 HG23 VAL 47 HG23 VAL 47 1.956 -2.200 -6.378 362 H GLN 48 HN GLN 48 0.900 2.326 -5.832 363 HA GLN 48 HA GLN 48 3.682 2.460 -6.344 364 HB2 GLN 48 HB2 GLN 48 2.138 4.438 -6.085 365 HB3 GLN 48 HB1 GLN 48 2.169 4.159 -4.344 366 HG2 GLN 48 HG2 GLN 48 3.995 5.500 -4.330 367 HG3 GLN 48 HG1 GLN 48 4.855 4.126 -5.026 368 HE21 GLN 48 HE21 GLN 48 3.516 7.296 -5.722 369 HE22 GLN 48 HE22 GLN 48 4.056 7.382 -7.329 370 H ARG 49 HN ARG 49 1.953 2.153 -3.239 371 HA ARG 49 HA ARG 49 4.147 0.467 -2.281 372 HB2 ARG 49 HB2 ARG 49 3.754 2.405 -0.199 373 HB3 ARG 49 HB1 ARG 49 5.249 1.963 -1.016 374 HG2 ARG 49 HG2 ARG 49 4.893 3.607 -2.735 375 HG3 ARG 49 HG1 ARG 49 3.248 3.923 -2.180 376 HD2 ARG 49 HD2 ARG 49 4.186 4.701 0.000 377 HD3 ARG 49 HD1 ARG 49 5.805 4.509 -0.672 378 HE ARG 49 HE ARG 49 4.206 6.165 -2.399 379 HH11 ARG 49 HH21 ARG 49 5.882 6.065 0.612 380 HH12 ARG 49 HH22 ARG 49 6.210 7.765 0.638 381 HH21 ARG 49 HH11 ARG 49 4.624 8.385 -2.383 382 HH22 ARG 49 HH12 ARG 49 5.498 9.079 -1.058 383 H ILE 50 HN ILE 50 3.232 -1.122 -1.098 384 HA ILE 50 HA ILE 50 0.453 -0.789 -0.251 385 HB ILE 50 HB ILE 50 2.072 -3.192 0.476 386 HG12 ILE 50 HG12 ILE 50 1.007 -2.587 -2.300 387 HG13 ILE 50 HG11 ILE 50 2.702 -2.707 -1.859 388 HG21 ILE 50 HG21 ILE 50 -0.313 -2.876 1.142 389 HG22 ILE 50 HG22 ILE 50 -0.056 -4.294 0.132 390 HG23 ILE 50 HG23 ILE 50 -0.744 -2.833 -0.567 391 HD11 ILE 50 HD11 ILE 50 2.473 -5.046 -1.305 392 HD12 ILE 50 HD12 ILE 50 1.783 -4.799 -2.908 393 HD13 ILE 50 HD13 ILE 50 0.726 -4.982 -1.516 394 H GLU 51 HN GLU 51 -0.239 -0.806 1.841 395 HA GLU 51 HA GLU 51 1.822 -0.830 3.984 396 HB2 GLU 51 HB2 GLU 51 -0.343 1.272 3.817 397 HB3 GLU 51 HB1 GLU 51 1.001 1.202 4.960 398 HG2 GLU 51 HG2 GLU 51 2.586 1.348 3.041 399 HG3 GLU 51 HG1 GLU 51 1.206 1.563 1.963 400 H GLN 52 HN GLN 52 1.038 -1.456 6.013 401 HA GLN 52 HA GLN 52 -1.475 -3.011 5.865 402 HB2 GLN 52 HB2 GLN 52 -0.649 -4.302 7.638 403 HB3 GLN 52 HB1 GLN 52 0.815 -3.893 6.744 404 HG2 GLN 52 HG2 GLN 52 0.937 -1.826 8.312 405 HG3 GLN 52 HG1 GLN 52 -0.197 -2.718 9.328 406 HE21 GLN 52 HE21 GLN 52 0.534 -5.002 9.960 407 HE22 GLN 52 HE22 GLN 52 2.197 -5.270 10.177 408 H CYS 53 HN CYS 53 -3.234 -2.618 7.204 409 HA CYS 53 HA CYS 53 -3.016 -0.460 9.225 410 HB2 CYS 53 HB2 CYS 53 -4.321 -0.221 6.643 411 HB3 CYS 53 HB1 CYS 53 -5.475 -0.004 7.959 412 H THR 54 HN THR 54 -4.916 -0.441 10.689 413 HA THR 54 HA THR 54 -5.790 -3.151 11.290 414 HB THR 54 HB THR 54 -7.332 -1.301 12.778 415 HG1 THR 54 HG1 THR 54 -6.117 0.383 12.964 416 HG21 THR 54 HG21 THR 54 -6.363 -3.411 13.596 417 HG22 THR 54 HG22 THR 54 -5.882 -2.061 14.625 418 HG23 THR 54 HG23 THR 54 -4.744 -2.727 13.453 419 H ARG 55 HN ARG 55 -8.087 -3.771 11.433 420 HA ARG 55 HA ARG 55 -9.531 -3.289 9.062 421 HB2 ARG 55 HB2 ARG 55 -10.030 -5.235 10.406 422 HB3 ARG 55 HB1 ARG 55 -10.500 -4.225 11.773 423 HG2 ARG 55 HG2 ARG 55 -12.510 -3.599 10.798 424 HG3 ARG 55 HG1 ARG 55 -11.906 -3.834 9.158 425 HD2 ARG 55 HD2 ARG 55 -13.577 -5.578 9.959 426 HD3 ARG 55 HD1 ARG 55 -12.050 -6.219 9.352 427 HE ARG 55 HE ARG 55 -11.627 -7.042 11.516 428 HH11 ARG 55 HH21 ARG 55 -13.934 -4.480 11.546 429 HH12 ARG 55 HH22 ARG 55 -14.264 -4.619 13.240 430 HH21 ARG 55 HH11 ARG 55 -12.046 -7.239 13.729 431 HH22 ARG 55 HH12 ARG 55 -13.196 -6.181 14.476 432 H GLY 56 HN GLY 56 -10.742 -2.237 12.255 433 HA2 GLY 56 HA2 GLY 56 -12.394 -0.198 11.050 434 HA3 GLY 56 HA1 GLY 56 -12.083 -0.378 12.777 435 H SER 57 HN SER 57 -9.479 -0.015 10.420 436 HA SER 57 HA SER 57 -8.645 2.427 11.849 437 HB2 SER 57 HB2 SER 57 -7.096 0.479 11.079 438 HB3 SER 57 HB1 SER 57 -7.202 1.233 9.491 439 HG SER 57 HG SER 57 -5.783 2.599 10.192 440 H LEU 58 HN LEU 58 -10.064 1.474 8.812 441 HA LEU 58 HA LEU 58 -9.714 4.225 7.734 442 HB2 LEU 58 HB2 LEU 58 -10.968 1.939 6.237 443 HB3 LEU 58 HB1 LEU 58 -10.121 3.350 5.606 444 HG LEU 58 HG LEU 58 -8.873 1.036 7.114 445 HD11 LEU 58 HD11 LEU 58 -7.709 0.643 4.984 446 HD12 LEU 58 HD12 LEU 58 -8.544 2.019 4.261 447 HD13 LEU 58 HD13 LEU 58 -9.457 0.590 4.744 448 HD21 LEU 58 HD21 LEU 58 -6.767 2.405 6.218 449 HD22 LEU 58 HD22 LEU 58 -7.510 2.796 7.769 450 HD23 LEU 58 HD23 LEU 58 -7.892 3.758 6.342 451 H PHE 59 HN PHE 59 -11.749 4.956 6.426 452 HA PHE 59 HA PHE 59 -14.180 4.438 8.090 453 HB2 PHE 59 HB2 PHE 59 -12.811 6.811 7.906 454 HB3 PHE 59 HB1 PHE 59 -14.048 7.003 6.665 455 HD1 PHE 59 HD2 PHE 59 -16.441 5.945 7.468 456 HD2 PHE 59 HD1 PHE 59 -13.403 7.586 10.024 457 HE1 PHE 59 HE2 PHE 59 -18.146 6.373 9.220 458 HE2 PHE 59 HE1 PHE 59 -15.107 8.014 11.775 459 HZ PHE 59 HZ PHE 59 -17.478 7.407 11.372 460 H MET 60 HN MET 60 -15.505 3.208 6.834 461 HA MET 60 HA MET 60 -15.452 3.315 3.933 462 HB2 MET 60 HB2 MET 60 -17.482 2.038 5.787 463 HB3 MET 60 HB1 MET 60 -17.310 1.717 4.062 464 HG2 MET 60 HG2 MET 60 -14.734 1.362 5.071 465 HG3 MET 60 HG1 MET 60 -15.777 0.646 6.301 466 HE1 MET 60 HE1 MET 60 -14.202 -1.334 5.598 467 HE2 MET 60 HE2 MET 60 -13.587 -0.750 4.053 468 HE3 MET 60 HE3 MET 60 -14.396 -2.312 4.136 469 H CYS 61 HN CYS 61 -16.966 4.229 2.544 470 HA CYS 61 HA CYS 61 -18.525 6.477 3.636 471 HB2 CYS 61 HB2 CYS 61 -17.311 6.879 1.577 472 HB3 CYS 61 HB1 CYS 61 -18.055 5.476 0.812 473 H SER 62 HN SER 62 -20.794 6.580 3.638 474 HA SER 62 HA SER 62 -22.278 4.196 2.639 475 HB2 SER 62 HB2 SER 62 -22.044 3.635 4.932 476 HB3 SER 62 HB1 SER 62 -22.288 5.301 5.447 477 HG SER 62 HG SER 62 -24.323 4.156 3.951 478 H ILE 63 HN ILE 63 -22.763 5.914 0.983 479 HA ILE 63 HA ILE 63 -24.960 7.728 1.921 480 HB ILE 63 HB ILE 63 -23.014 8.045 -0.378 481 HG12 ILE 63 HG12 ILE 63 -22.483 8.604 2.160 482 HG13 ILE 63 HG11 ILE 63 -21.987 9.700 0.873 483 HG21 ILE 63 HG21 ILE 63 -25.037 8.925 -1.217 484 HG22 ILE 63 HG22 ILE 63 -24.218 10.330 -0.539 485 HG23 ILE 63 HG23 ILE 63 -25.522 9.552 0.358 486 HD11 ILE 63 HD11 ILE 63 -24.656 10.002 2.255 487 HD12 ILE 63 HD12 ILE 63 -23.782 11.198 1.302 488 HD13 ILE 63 HD13 ILE 63 -23.193 10.742 2.899 489 H VAL 64 HN VAL 64 -24.084 6.887 -1.397 490 HA VAL 64 HA VAL 64 -26.850 5.881 -1.789 491 HB VAL 64 HB VAL 64 -25.905 5.829 -4.262 492 HG11 VAL 64 HG11 VAL 64 -27.627 7.345 -3.909 493 HG12 VAL 64 HG12 VAL 64 -26.291 8.455 -4.214 494 HG13 VAL 64 HG13 VAL 64 -26.803 8.124 -2.559 495 HG21 VAL 64 HG21 VAL 64 -24.201 8.063 -3.231 496 HG22 VAL 64 HG22 VAL 64 -24.001 7.081 -4.682 497 HG23 VAL 64 HG23 VAL 64 -23.576 6.418 -3.103 498 H GLN 65 HN GLN 65 -24.120 4.802 -3.714 499 HA GLN 65 HA GLN 65 -23.698 2.291 -2.384 500 HB2 GLN 65 HB2 GLN 65 -24.801 0.950 -4.341 501 HB3 GLN 65 HB1 GLN 65 -25.824 1.534 -3.027 502 HG2 GLN 65 HG2 GLN 65 -26.702 3.286 -4.315 503 HG3 GLN 65 HG1 GLN 65 -25.359 3.245 -5.459 504 HE21 GLN 65 HE21 GLN 65 -28.400 1.664 -4.562 505 HE22 GLN 65 HE22 GLN 65 -28.529 0.722 -5.968 506 H GLY 66 HN GLY 66 -22.236 0.901 -3.654 507 HA2 GLY 66 HA2 GLY 66 -20.673 0.489 -5.400 508 HA3 GLY 66 HA1 GLY 66 -21.233 1.953 -6.208 509 H CYS 67 HN CYS 67 -20.852 3.913 -4.365 510 HA CYS 67 HA CYS 67 -18.164 4.614 -4.545 511 HB2 CYS 67 HB2 CYS 67 -19.596 6.331 -3.818 512 HB3 CYS 67 HB1 CYS 67 -20.299 5.333 -2.545 513 H LYS 68 HN LYS 68 -19.257 4.073 -1.243 514 HA LYS 68 HA LYS 68 -18.191 2.968 0.534 515 HB2 LYS 68 HB2 LYS 68 -17.225 0.911 -1.430 516 HB3 LYS 68 HB1 LYS 68 -17.852 0.682 0.202 517 HG2 LYS 68 HG2 LYS 68 -20.042 1.752 -0.907 518 HG3 LYS 68 HG1 LYS 68 -19.331 1.050 -2.361 519 HD2 LYS 68 HD2 LYS 68 -19.041 -1.092 -0.912 520 HD3 LYS 68 HD1 LYS 68 -20.231 -0.343 0.154 521 HE2 LYS 68 HE2 LYS 68 -21.762 -0.091 -1.805 522 HE3 LYS 68 HE1 LYS 68 -20.592 -0.967 -2.792 523 HZ1 LYS 68 HZ1 LYS 68 -21.112 -2.376 -0.395 524 HZ2 LYS 68 HZ2 LYS 68 -21.337 -2.880 -2.001 525 HZ3 LYS 68 HZ3 LYS 68 -22.572 -2.041 -1.190 526 H ARG 69 HN ARG 69 -16.632 4.993 -0.801 527 HA ARG 69 HA ARG 69 -13.937 3.924 -1.185 528 HB2 ARG 69 HB2 ARG 69 -15.268 6.563 -1.394 529 HB3 ARG 69 HB1 ARG 69 -13.573 6.609 -0.915 530 HG2 ARG 69 HG2 ARG 69 -14.449 4.912 -3.243 531 HG3 ARG 69 HG1 ARG 69 -14.143 6.635 -3.458 532 HD2 ARG 69 HD2 ARG 69 -12.074 5.120 -1.959 533 HD3 ARG 69 HD1 ARG 69 -12.204 4.764 -3.681 534 HE ARG 69 HE ARG 69 -11.266 7.276 -2.510 535 HH11 ARG 69 HH21 ARG 69 -12.662 5.647 -5.208 536 HH12 ARG 69 HH22 ARG 69 -12.123 6.819 -6.365 537 HH21 ARG 69 HH11 ARG 69 -10.552 8.815 -4.004 538 HH22 ARG 69 HH12 ARG 69 -10.927 8.612 -5.683 539 H THR 70 HN THR 70 -12.533 3.520 0.463 540 HA THR 70 HA THR 70 -13.260 4.295 3.188 541 HB THR 70 HB THR 70 -10.747 3.252 3.396 542 HG1 THR 70 HG1 THR 70 -10.475 2.795 1.274 543 HG21 THR 70 HG21 THR 70 -13.372 1.764 3.151 544 HG22 THR 70 HG22 THR 70 -12.707 2.477 4.622 545 HG23 THR 70 HG23 THR 70 -11.902 1.102 3.867 546 H TYR 71 HN TYR 71 -11.514 5.320 4.615 547 HA TYR 71 HA TYR 71 -9.600 7.039 3.214 548 HB2 TYR 71 HB2 TYR 71 -12.073 8.067 4.559 549 HB3 TYR 71 HB1 TYR 71 -10.608 9.041 4.551 550 HD1 TYR 71 HD1 TYR 71 -9.492 9.555 2.320 551 HD2 TYR 71 HD2 TYR 71 -13.443 7.900 2.624 552 HE1 TYR 71 HE1 TYR 71 -9.961 10.248 -0.015 553 HE2 TYR 71 HE2 TYR 71 -13.913 8.591 0.290 554 HH TYR 71 HH TYR 71 -12.302 10.806 -1.330 555 H LEU 72 HN LEU 72 -8.566 8.530 5.045 556 HA LEU 72 HA LEU 72 -8.144 6.771 7.423 557 HB2 LEU 72 HB2 LEU 72 -6.068 8.757 6.996 558 HB3 LEU 72 HB1 LEU 72 -5.921 7.009 7.150 559 HG LEU 72 HG LEU 72 -6.708 8.487 4.618 560 HD11 LEU 72 HD11 LEU 72 -4.139 7.151 5.513 561 HD12 LEU 72 HD12 LEU 72 -4.367 8.841 5.066 562 HD13 LEU 72 HD13 LEU 72 -4.476 7.581 3.837 563 HD21 LEU 72 HD21 LEU 72 -5.835 5.802 4.183 564 HD22 LEU 72 HD22 LEU 72 -7.437 6.476 3.891 565 HD23 LEU 72 HD23 LEU 72 -7.054 5.759 5.455 566 H SER 73 HN SER 73 -9.518 9.667 6.447 567 HA SER 73 HA SER 73 -9.640 10.560 9.256 568 HB2 SER 73 HB2 SER 73 -8.473 12.302 7.067 569 HB3 SER 73 HB1 SER 73 -8.911 12.872 8.674 570 HG SER 73 HG SER 73 -6.653 11.762 7.918 571 H GLN 74 HN GLN 74 -11.689 11.204 9.626 572 HA GLN 74 HA GLN 74 -13.792 11.163 7.852 573 HB2 GLN 74 HB2 GLN 74 -13.427 13.072 10.170 574 HB3 GLN 74 HB1 GLN 74 -14.967 12.735 9.376 575 HG2 GLN 74 HG2 GLN 74 -13.306 10.449 10.368 576 HG3 GLN 74 HG1 GLN 74 -14.274 11.371 11.519 577 HE21 GLN 74 HE21 GLN 74 -14.570 9.622 8.391 578 HE22 GLN 74 HE22 GLN 74 -16.183 9.159 8.629 579 H ARG 75 HN ARG 75 -11.337 13.610 8.117 580 HA ARG 75 HA ARG 75 -12.717 15.728 6.768 581 HB2 ARG 75 HB2 ARG 75 -10.584 15.959 8.085 582 HB3 ARG 75 HB1 ARG 75 -9.742 15.152 6.763 583 HG2 ARG 75 HG2 ARG 75 -11.181 17.113 5.450 584 HG3 ARG 75 HG1 ARG 75 -10.709 17.911 6.948 585 HD2 ARG 75 HD2 ARG 75 -8.349 17.023 6.509 586 HD3 ARG 75 HD1 ARG 75 -8.913 16.626 4.885 587 HE ARG 75 HE ARG 75 -9.473 19.389 5.628 588 HH11 ARG 75 HH21 ARG 75 -7.170 17.131 4.408 589 HH12 ARG 75 HH22 ARG 75 -6.266 18.322 3.535 590 HH21 ARG 75 HH11 ARG 75 -8.305 20.957 4.494 591 HH22 ARG 75 HH12 ARG 75 -6.909 20.489 3.583 592 H ASP 76 HN ASP 76 -10.905 12.930 5.612 593 HA ASP 76 HA ASP 76 -11.025 13.908 2.841 594 HB2 ASP 76 HB2 ASP 76 -10.144 11.198 3.868 595 HB3 ASP 76 HB1 ASP 76 -9.842 11.864 2.264 596 H LEU 77 HN LEU 77 -12.644 11.633 4.963 597 HA LEU 77 HA LEU 77 -14.260 10.500 2.817 598 HB2 LEU 77 HB2 LEU 77 -14.159 8.998 4.565 599 HB3 LEU 77 HB1 LEU 77 -14.133 10.246 5.791 600 HG LEU 77 HG LEU 77 -16.609 9.791 4.115 601 HD11 LEU 77 HD11 LEU 77 -17.442 8.217 5.773 602 HD12 LEU 77 HD12 LEU 77 -15.947 8.353 6.696 603 HD13 LEU 77 HD13 LEU 77 -15.933 7.604 5.099 604 HD21 LEU 77 HD21 LEU 77 -15.915 11.543 6.265 605 HD22 LEU 77 HD22 LEU 77 -17.065 10.372 6.899 606 HD23 LEU 77 HD23 LEU 77 -17.486 11.347 5.495 607 H GLN 78 HN GLN 78 -14.444 13.144 5.111 608 HA GLN 78 HA GLN 78 -17.234 13.690 4.549 609 HB2 GLN 78 HB2 GLN 78 -16.121 14.519 6.631 610 HB3 GLN 78 HB1 GLN 78 -15.128 15.583 5.634 611 HG2 GLN 78 HG2 GLN 78 -17.015 16.857 6.480 612 HG3 GLN 78 HG1 GLN 78 -17.241 16.618 4.748 613 HE21 GLN 78 HE21 GLN 78 -18.902 15.041 4.061 614 HE22 GLN 78 HE22 GLN 78 -20.098 14.518 5.144 615 H ALA 79 HN ALA 79 -14.118 14.563 3.317 616 HA ALA 79 HA ALA 79 -15.103 16.579 1.469 617 HB1 ALA 79 HB1 ALA 79 -12.871 16.429 0.464 618 HB2 ALA 79 HB2 ALA 79 -12.546 14.941 1.354 619 HB3 ALA 79 HB3 ALA 79 -12.718 16.468 2.221 620 H HIS 80 HN HIS 80 -15.041 13.114 1.604 621 HA HIS 80 HA HIS 80 -15.116 12.717 -1.279 622 HB2 HIS 80 HB2 HIS 80 -14.423 10.870 0.136 623 HB3 HIS 80 HB1 HIS 80 -15.957 10.909 0.999 624 HD1 HIS 80 HD1 HIS 80 -14.445 9.928 -2.298 625 HD2 HIS 80 HD2 HIS 80 -18.147 9.772 -0.392 626 HE1 HIS 80 HE1 HIS 80 -15.922 8.445 -3.724 627 H ILE 81 HN ILE 81 -17.529 12.837 1.292 628 HA ILE 81 HA ILE 81 -19.840 12.374 -0.287 629 HB ILE 81 HB ILE 81 -19.937 14.392 1.906 630 HG12 ILE 81 HG12 ILE 81 -18.366 12.873 2.808 631 HG13 ILE 81 HG11 ILE 81 -19.906 12.501 3.561 632 HG21 ILE 81 HG21 ILE 81 -22.011 13.662 0.845 633 HG22 ILE 81 HG22 ILE 81 -21.956 13.082 2.510 634 HG23 ILE 81 HG23 ILE 81 -21.609 11.980 1.180 635 HD11 ILE 81 HD11 ILE 81 -19.321 10.362 2.973 636 HD12 ILE 81 HD12 ILE 81 -18.289 10.895 1.649 637 HD13 ILE 81 HD13 ILE 81 -20.038 10.841 1.438 638 H ASN 82 HN ASN 82 -18.347 15.447 0.669 639 HA ASN 82 HA ASN 82 -20.159 17.019 -0.926 640 HB2 ASN 82 HB2 ASN 82 -17.406 17.953 -0.151 641 HB3 ASN 82 HB1 ASN 82 -18.908 18.875 -0.232 642 HD21 ASN 82 HD21 ASN 82 -16.834 17.981 2.045 643 HD22 ASN 82 HD22 ASN 82 -17.879 17.569 3.317 644 H HIS 83 HN HIS 83 -17.323 15.177 -1.677 645 HA HIS 83 HA HIS 83 -16.764 16.796 -4.049 646 HB2 HIS 83 HB2 HIS 83 -15.514 14.335 -2.884 647 HB3 HIS 83 HB1 HIS 83 -15.101 14.879 -4.505 648 HD1 HIS 83 HD1 HIS 83 -12.685 15.539 -3.738 649 HD2 HIS 83 HD2 HIS 83 -15.726 17.627 -1.789 650 HE1 HIS 83 HE1 HIS 83 -11.575 17.485 -2.553 651 HE2 HIS 83 HE2 HIS 83 -13.416 18.761 -1.364 652 H ARG 84 HN ARG 84 -18.534 13.811 -3.361 653 HA ARG 84 HA ARG 84 -19.047 13.615 -6.299 654 HB2 ARG 84 HB2 ARG 84 -18.990 11.172 -4.566 655 HB3 ARG 84 HB1 ARG 84 -18.767 11.296 -6.304 656 HG2 ARG 84 HG2 ARG 84 -16.796 12.423 -4.276 657 HG3 ARG 84 HG1 ARG 84 -16.645 10.836 -5.012 658 HD2 ARG 84 HD2 ARG 84 -17.101 12.651 -7.146 659 HD3 ARG 84 HD1 ARG 84 -15.888 13.386 -6.105 660 HE ARG 84 HE ARG 84 -14.389 11.640 -6.675 661 HH11 ARG 84 HH21 ARG 84 -17.629 11.012 -7.683 662 HH12 ARG 84 HH22 ARG 84 -17.201 9.643 -8.653 663 HH21 ARG 84 HH11 ARG 84 -13.817 9.855 -7.936 664 HH22 ARG 84 HH12 ARG 84 -15.045 8.988 -8.795 665 H HIS 85 HN HIS 85 -20.431 13.380 -3.099 666 HA HIS 85 HA HIS 85 -23.029 12.562 -4.283 667 HB2 HIS 85 HB2 HIS 85 -22.397 12.949 -1.354 668 HB3 HIS 85 HB1 HIS 85 -23.725 12.032 -2.064 669 HD1 HIS 85 HD1 HIS 85 -23.300 9.583 -1.973 670 HD2 HIS 85 HD2 HIS 85 -19.754 11.722 -2.463 671 HE1 HIS 85 HE1 HIS 85 -21.439 7.868 -2.095 672 H MET 86 HN MET 86 -21.643 15.003 -2.146 673 HA MET 86 HA MET 86 -22.466 17.122 -1.516 674 HB2 MET 86 HB2 MET 86 -21.684 17.104 -4.075 675 HB3 MET 86 HB1 MET 86 -23.385 17.496 -4.328 676 HG2 MET 86 HG2 MET 86 -22.958 19.240 -2.394 677 HG3 MET 86 HG1 MET 86 -21.274 19.064 -2.886 678 HE1 MET 86 HE1 MET 86 -21.332 21.706 -3.412 679 HE2 MET 86 HE2 MET 86 -23.012 21.669 -2.884 680 HE3 MET 86 HE3 MET 86 -22.591 22.453 -4.405 681 H ARG 87 HN ARG 87 -24.408 14.959 -1.249 682 HA ARG 87 HA ARG 87 -26.964 15.997 -2.222 683 HB2 ARG 87 HB2 ARG 87 -26.293 13.515 -1.754 684 HB3 ARG 87 HB1 ARG 87 -26.690 13.903 -0.079 685 HG2 ARG 87 HG2 ARG 87 -28.901 14.855 -1.046 686 HG3 ARG 87 HG1 ARG 87 -28.498 13.927 -2.490 687 HD2 ARG 87 HD2 ARG 87 -29.636 12.275 -1.384 688 HD3 ARG 87 HD1 ARG 87 -28.070 12.034 -0.611 689 HE ARG 87 HE ARG 87 -29.649 14.007 0.800 690 HH11 ARG 87 HH21 ARG 87 -29.167 10.645 0.212 691 HH12 ARG 87 HH22 ARG 87 -29.803 10.150 1.745 692 HH21 ARG 87 HH11 ARG 87 -30.482 13.381 2.806 693 HH22 ARG 87 HH12 ARG 87 -30.548 11.698 3.213 694 H ALA 88 HN ALA 88 -24.989 16.350 0.607 695 HA ALA 88 HA ALA 88 -25.275 17.802 2.441 696 HB1 ALA 88 HB1 ALA 88 -28.024 18.606 1.651 697 HB2 ALA 88 HB2 ALA 88 -26.741 19.013 0.512 698 HB3 ALA 88 HB3 ALA 88 -26.665 19.603 2.172 699 H GLY 89 HN GLY 89 -26.762 15.031 1.881 700 HA2 GLY 89 HA2 GLY 89 -28.078 13.572 3.162 701 HA3 GLY 89 HA1 GLY 89 -27.553 14.532 4.547 Start of MODEL 19 1 H1 VAL 1 HT1 VAL 1 -16.822 -5.005 7.297 2 H2 VAL 1 HT2 VAL 1 -18.098 -5.342 6.226 3 H3 VAL 1 HT3 VAL 1 -16.589 -4.841 5.625 4 HA VAL 1 HA VAL 1 -16.801 -7.298 7.237 5 HB VAL 1 HB VAL 1 -17.147 -8.581 5.180 6 HG11 VAL 1 HG11 VAL 1 -19.247 -6.406 5.286 7 HG12 VAL 1 HG12 VAL 1 -19.103 -7.644 6.533 8 HG13 VAL 1 HG13 VAL 1 -19.470 -8.105 4.871 9 HG21 VAL 1 HG21 VAL 1 -17.120 -5.825 3.938 10 HG22 VAL 1 HG22 VAL 1 -17.878 -7.197 3.127 11 HG23 VAL 1 HG23 VAL 1 -16.153 -7.232 3.496 12 H HIS 2 HN HIS 2 -14.845 -8.431 7.140 13 HA HIS 2 HA HIS 2 -12.591 -6.966 5.902 14 HB2 HIS 2 HB2 HIS 2 -11.467 -9.043 7.291 15 HB3 HIS 2 HB1 HIS 2 -11.813 -7.462 7.990 16 HD1 HIS 2 HD1 HIS 2 -12.883 -7.812 10.213 17 HD2 HIS 2 HD2 HIS 2 -14.273 -10.558 7.396 18 HE1 HIS 2 HE1 HIS 2 -14.665 -9.193 11.373 19 HE2 HIS 2 HE2 HIS 2 -15.517 -10.866 9.668 20 H PHE 3 HN PHE 3 -14.599 -8.783 4.465 21 HA PHE 3 HA PHE 3 -13.012 -11.095 3.665 22 HB2 PHE 3 HB2 PHE 3 -15.661 -9.936 2.887 23 HB3 PHE 3 HB1 PHE 3 -14.883 -11.070 1.783 24 HD1 PHE 3 HD1 PHE 3 -15.861 -10.655 5.372 25 HD2 PHE 3 HD2 PHE 3 -15.034 -13.384 2.160 26 HE1 PHE 3 HE1 PHE 3 -16.601 -12.549 6.791 27 HE2 PHE 3 HE2 PHE 3 -15.775 -15.278 3.578 28 HZ PHE 3 HZ PHE 3 -16.558 -14.861 5.894 29 H CYS 4 HN CYS 4 -11.195 -10.730 2.469 30 HA CYS 4 HA CYS 4 -10.499 -8.476 1.007 31 HB2 CYS 4 HB2 CYS 4 -8.959 -10.348 1.410 32 HB3 CYS 4 HB1 CYS 4 -9.871 -11.352 0.283 33 H ASP 5 HN ASP 5 -10.787 -7.783 -1.134 34 HA ASP 5 HA ASP 5 -13.262 -8.712 -2.397 35 HB2 ASP 5 HB2 ASP 5 -11.608 -6.327 -2.465 36 HB3 ASP 5 HB1 ASP 5 -12.011 -6.864 -4.097 37 H LYS 6 HN LYS 6 -9.799 -9.065 -2.882 38 HA LYS 6 HA LYS 6 -10.270 -10.307 -5.534 39 HB2 LYS 6 HB2 LYS 6 -8.289 -8.638 -4.688 40 HB3 LYS 6 HB1 LYS 6 -7.526 -10.206 -4.439 41 HG2 LYS 6 HG2 LYS 6 -8.817 -9.297 -7.036 42 HG3 LYS 6 HG1 LYS 6 -7.087 -9.285 -6.718 43 HD2 LYS 6 HD2 LYS 6 -8.845 -11.758 -6.666 44 HD3 LYS 6 HD1 LYS 6 -7.775 -11.302 -7.986 45 HE2 LYS 6 HE2 LYS 6 -5.976 -11.210 -6.016 46 HE3 LYS 6 HE1 LYS 6 -7.095 -12.354 -5.275 47 HZ1 LYS 6 HZ1 LYS 6 -6.669 -13.922 -6.821 48 HZ2 LYS 6 HZ2 LYS 6 -5.188 -13.097 -6.935 49 HZ3 LYS 6 HZ3 LYS 6 -6.416 -12.803 -8.071 50 H CYS 7 HN CYS 7 -8.560 -11.059 -2.498 51 HA CYS 7 HA CYS 7 -8.261 -13.853 -3.198 52 HB2 CYS 7 HB2 CYS 7 -8.079 -12.717 -0.409 53 HB3 CYS 7 HB1 CYS 7 -7.212 -14.096 -1.088 54 H GLY 8 HN GLY 8 -10.690 -11.982 -1.498 55 HA2 GLY 8 HA2 GLY 8 -12.849 -12.644 -0.834 56 HA3 GLY 8 HA1 GLY 8 -12.542 -14.210 -1.584 57 H LEU 9 HN LEU 9 -10.042 -13.445 0.532 58 HA LEU 9 HA LEU 9 -11.136 -15.333 2.549 59 HB2 LEU 9 HB2 LEU 9 -8.444 -14.540 1.616 60 HB3 LEU 9 HB1 LEU 9 -8.578 -14.772 3.360 61 HG LEU 9 HG LEU 9 -9.548 -17.007 2.998 62 HD11 LEU 9 HD11 LEU 9 -9.661 -15.999 0.237 63 HD12 LEU 9 HD12 LEU 9 -10.632 -17.246 1.019 64 HD13 LEU 9 HD13 LEU 9 -9.041 -17.645 0.370 65 HD21 LEU 9 HD21 LEU 9 -6.872 -16.183 2.188 66 HD22 LEU 9 HD22 LEU 9 -7.369 -17.664 1.369 67 HD23 LEU 9 HD23 LEU 9 -7.368 -17.588 3.132 68 HA PRO 10 HA PRO 10 -11.899 -12.114 5.446 69 HB2 PRO 10 HB2 PRO 10 -11.095 -13.208 7.819 70 HB3 PRO 10 HB1 PRO 10 -12.620 -13.590 7.000 71 HG2 PRO 10 HG2 PRO 10 -10.094 -15.145 7.113 72 HG3 PRO 10 HG1 PRO 10 -11.771 -15.712 7.058 73 HD2 PRO 10 HD2 PRO 10 -10.084 -15.719 4.876 74 HD3 PRO 10 HD1 PRO 10 -11.855 -15.647 4.755 75 H ILE 11 HN ILE 11 -10.480 -10.560 4.868 76 HA ILE 11 HA ILE 11 -7.765 -10.271 5.059 77 HB ILE 11 HB ILE 11 -9.913 -8.228 5.741 78 HG12 ILE 11 HG12 ILE 11 -8.373 -8.703 3.182 79 HG13 ILE 11 HG11 ILE 11 -9.953 -9.410 3.499 80 HG21 ILE 11 HG21 ILE 11 -7.137 -7.628 4.716 81 HG22 ILE 11 HG22 ILE 11 -7.497 -7.606 6.438 82 HG23 ILE 11 HG23 ILE 11 -8.325 -6.503 5.347 83 HD11 ILE 11 HD11 ILE 11 -11.012 -7.469 3.052 84 HD12 ILE 11 HD12 ILE 11 -9.477 -6.895 2.400 85 HD13 ILE 11 HD13 ILE 11 -9.908 -6.553 4.075 86 H LYS 12 HN LYS 12 -6.589 -11.057 6.762 87 HA LYS 12 HA LYS 12 -7.451 -10.727 9.536 88 HB2 LYS 12 HB2 LYS 12 -4.632 -11.397 8.702 89 HB3 LYS 12 HB1 LYS 12 -5.532 -11.966 10.109 90 HG2 LYS 12 HG2 LYS 12 -7.129 -12.978 8.232 91 HG3 LYS 12 HG1 LYS 12 -5.648 -12.912 7.276 92 HD2 LYS 12 HD2 LYS 12 -6.000 -14.301 9.949 93 HD3 LYS 12 HD1 LYS 12 -5.790 -15.083 8.382 94 HE2 LYS 12 HE2 LYS 12 -3.600 -15.128 9.093 95 HE3 LYS 12 HE1 LYS 12 -3.606 -13.535 8.336 96 HZ1 LYS 12 HZ1 LYS 12 -2.778 -13.873 10.785 97 HZ2 LYS 12 HZ2 LYS 12 -4.435 -13.742 11.137 98 HZ3 LYS 12 HZ3 LYS 12 -3.631 -12.479 10.334 99 H VAL 13 HN VAL 13 -5.345 -9.129 7.244 100 HA VAL 13 HA VAL 13 -5.039 -6.865 9.139 101 HB VAL 13 HB VAL 13 -2.805 -7.518 7.283 102 HG11 VAL 13 HG11 VAL 13 -1.489 -6.378 8.928 103 HG12 VAL 13 HG12 VAL 13 -2.763 -6.524 10.138 104 HG13 VAL 13 HG13 VAL 13 -2.977 -5.447 8.759 105 HG21 VAL 13 HG21 VAL 13 -3.434 -8.988 9.846 106 HG22 VAL 13 HG22 VAL 13 -1.791 -8.878 9.215 107 HG23 VAL 13 HG23 VAL 13 -3.049 -9.674 8.267 108 H TYR 14 HN TYR 14 -5.079 -4.832 8.024 109 HA TYR 14 HA TYR 14 -6.338 -4.995 5.385 110 HB2 TYR 14 HB2 TYR 14 -5.813 -2.845 7.382 111 HB3 TYR 14 HB1 TYR 14 -6.145 -2.388 5.717 112 HD1 TYR 14 HD2 TYR 14 -7.585 -5.439 7.297 113 HD2 TYR 14 HD1 TYR 14 -8.280 -1.357 6.154 114 HE1 TYR 14 HE2 TYR 14 -10.010 -5.748 7.660 115 HE2 TYR 14 HE1 TYR 14 -10.709 -1.670 6.520 116 HH TYR 14 HH TYR 14 -12.002 -4.145 8.238 117 H GLY 15 HN GLY 15 -4.950 -5.441 3.764 118 HA2 GLY 15 HA2 GLY 15 -2.261 -4.307 3.656 119 HA3 GLY 15 HA1 GLY 15 -3.026 -5.282 2.397 120 H ARG 16 HN ARG 16 -2.634 -2.071 3.666 121 HA ARG 16 HA ARG 16 -4.486 -0.838 1.777 122 HB2 ARG 16 HB2 ARG 16 -4.019 0.238 3.927 123 HB3 ARG 16 HB1 ARG 16 -2.311 0.376 3.509 124 HG2 ARG 16 HG2 ARG 16 -2.666 2.212 2.238 125 HG3 ARG 16 HG1 ARG 16 -4.068 1.486 1.447 126 HD2 ARG 16 HD2 ARG 16 -5.487 2.056 3.342 127 HD3 ARG 16 HD1 ARG 16 -4.098 2.668 4.239 128 HE ARG 16 HE ARG 16 -5.499 4.058 2.076 129 HH11 ARG 16 HH21 ARG 16 -2.617 3.663 3.925 130 HH12 ARG 16 HH22 ARG 16 -2.046 5.270 3.626 131 HH21 ARG 16 HH11 ARG 16 -4.771 6.162 1.678 132 HH22 ARG 16 HH12 ARG 16 -3.265 6.685 2.354 133 H MET 17 HN MET 17 -4.049 -0.058 -0.230 134 HA MET 17 HA MET 17 -1.201 -0.087 -1.140 135 HB2 MET 17 HB2 MET 17 -3.419 -0.496 -3.097 136 HB3 MET 17 HB1 MET 17 -1.777 -1.135 -3.114 137 HG2 MET 17 HG2 MET 17 -2.429 -2.572 -1.129 138 HG3 MET 17 HG1 MET 17 -4.090 -2.058 -1.402 139 HE1 MET 17 HE1 MET 17 -1.347 -4.757 -3.664 140 HE2 MET 17 HE2 MET 17 -0.956 -3.283 -2.786 141 HE3 MET 17 HE3 MET 17 -1.348 -3.200 -4.500 142 H ILE 18 HN ILE 18 -0.508 1.798 -1.997 143 HA ILE 18 HA ILE 18 -2.525 3.897 -2.636 144 HB ILE 18 HB ILE 18 -0.203 5.279 -2.368 145 HG12 ILE 18 HG12 ILE 18 -0.007 3.009 -0.382 146 HG13 ILE 18 HG11 ILE 18 1.012 3.200 -1.810 147 HG21 ILE 18 HG21 ILE 18 -0.969 5.822 -0.084 148 HG22 ILE 18 HG22 ILE 18 -1.982 4.379 -0.076 149 HG23 ILE 18 HG23 ILE 18 -2.348 5.708 -1.175 150 HD11 ILE 18 HD11 ILE 18 0.995 5.682 -0.398 151 HD12 ILE 18 HD12 ILE 18 2.358 4.598 -0.680 152 HD13 ILE 18 HD13 ILE 18 1.352 4.397 0.755 153 HA PRO 19 HA PRO 19 -2.091 6.036 -3.477 154 HB2 PRO 19 HB2 PRO 19 -2.987 7.319 -5.685 155 HB3 PRO 19 HB1 PRO 19 -1.307 7.465 -5.129 156 HG2 PRO 19 HG2 PRO 19 -2.432 5.861 -7.359 157 HG3 PRO 19 HG1 PRO 19 -0.882 6.710 -7.243 158 HD2 PRO 19 HD2 PRO 19 -1.227 3.965 -6.878 159 HD3 PRO 19 HD1 PRO 19 0.167 4.903 -6.305 160 H CYS 20 HN CYS 20 -3.146 3.376 -5.105 161 HA CYS 20 HA CYS 20 -5.826 3.851 -5.818 162 HB2 CYS 20 HB2 CYS 20 -4.192 1.634 -5.629 163 HB3 CYS 20 HB1 CYS 20 -5.389 1.325 -4.373 164 H LYS 21 HN LYS 21 -4.364 3.300 -2.659 165 HA LYS 21 HA LYS 21 -5.201 3.684 -0.508 166 HB2 LYS 21 HB2 LYS 21 -6.416 5.632 -2.116 167 HB3 LYS 21 HB1 LYS 21 -7.758 4.872 -1.259 168 HG2 LYS 21 HG2 LYS 21 -6.412 5.147 0.874 169 HG3 LYS 21 HG1 LYS 21 -5.290 6.144 -0.055 170 HD2 LYS 21 HD2 LYS 21 -7.743 7.212 -0.739 171 HD3 LYS 21 HD1 LYS 21 -7.966 6.795 0.961 172 HE2 LYS 21 HE2 LYS 21 -7.065 9.083 0.722 173 HE3 LYS 21 HE1 LYS 21 -5.912 8.030 1.541 174 HZ1 LYS 21 HZ1 LYS 21 -5.296 7.698 -1.070 175 HZ2 LYS 21 HZ2 LYS 21 -4.484 8.735 0.002 176 HZ3 LYS 21 HZ3 LYS 21 -5.706 9.342 -1.009 177 H HIS 22 HN HIS 22 -5.870 1.387 -2.271 178 HA HIS 22 HA HIS 22 -8.582 0.657 -1.342 179 HB2 HIS 22 HB2 HIS 22 -6.684 -0.406 -3.385 180 HB3 HIS 22 HB1 HIS 22 -7.848 -1.527 -2.679 181 HD2 HIS 22 HD2 HIS 22 -10.538 0.252 -2.573 182 HE1 HIS 22 HE1 HIS 22 -9.780 1.204 -6.616 183 HE2 HIS 22 HE2 HIS 22 -11.542 1.186 -4.792 184 H VAL 23 HN VAL 23 -8.451 -2.024 -0.883 185 HA VAL 23 HA VAL 23 -6.257 -2.467 1.054 186 HB VAL 23 HB VAL 23 -8.410 -3.429 2.457 187 HG11 VAL 23 HG11 VAL 23 -6.536 -2.250 3.427 188 HG12 VAL 23 HG12 VAL 23 -8.009 -1.394 3.874 189 HG13 VAL 23 HG13 VAL 23 -6.980 -0.763 2.593 190 HG21 VAL 23 HG21 VAL 23 -10.102 -1.709 2.477 191 HG22 VAL 23 HG22 VAL 23 -9.880 -2.205 0.799 192 HG23 VAL 23 HG23 VAL 23 -9.163 -0.700 1.376 193 H PHE 24 HN PHE 24 -5.916 -4.659 1.593 194 HA PHE 24 HA PHE 24 -7.616 -6.778 0.516 195 HB2 PHE 24 HB2 PHE 24 -4.820 -6.528 -0.626 196 HB3 PHE 24 HB1 PHE 24 -6.036 -7.729 -1.043 197 HD1 PHE 24 HD2 PHE 24 -5.091 -4.172 -1.319 198 HD2 PHE 24 HD1 PHE 24 -7.809 -7.236 -2.592 199 HE1 PHE 24 HE2 PHE 24 -5.888 -2.699 -3.147 200 HE2 PHE 24 HE1 PHE 24 -8.612 -5.768 -4.419 201 HZ PHE 24 HZ PHE 24 -7.647 -3.503 -4.708 202 H CYS 25 HN CYS 25 -6.543 -8.967 1.036 203 HA CYS 25 HA CYS 25 -5.571 -8.964 3.708 204 HB2 CYS 25 HB2 CYS 25 -4.462 -11.247 2.446 205 HB3 CYS 25 HB1 CYS 25 -5.931 -11.171 3.416 206 H TYR 26 HN TYR 26 -3.734 -7.946 4.333 207 HA TYR 26 HA TYR 26 -1.648 -7.058 2.727 208 HB2 TYR 26 HB2 TYR 26 -1.918 -6.485 5.134 209 HB3 TYR 26 HB1 TYR 26 -1.349 -8.098 5.554 210 HD1 TYR 26 HD2 TYR 26 -0.245 -5.318 3.229 211 HD2 TYR 26 HD1 TYR 26 0.868 -8.201 6.219 212 HE1 TYR 26 HE2 TYR 26 2.101 -4.550 3.101 213 HE2 TYR 26 HE1 TYR 26 3.215 -7.425 6.088 214 HH TYR 26 HH TYR 26 4.109 -4.564 4.328 215 H ASP 27 HN ASP 27 -2.318 -10.322 3.625 216 HA ASP 27 HA ASP 27 0.369 -11.307 3.095 217 HB2 ASP 27 HB2 ASP 27 -1.688 -12.434 4.381 218 HB3 ASP 27 HB1 ASP 27 -2.031 -13.068 2.771 219 H CYS 28 HN CYS 28 -2.619 -10.881 1.287 220 HA CYS 28 HA CYS 28 -1.432 -12.020 -1.135 221 HB2 CYS 28 HB2 CYS 28 -3.563 -12.092 -1.920 222 HB3 CYS 28 HB1 CYS 28 -4.037 -11.697 -0.267 223 H ALA 29 HN ALA 29 -1.730 -8.946 0.416 224 HA ALA 29 HA ALA 29 -1.346 -7.331 -1.942 225 HB1 ALA 29 HB1 ALA 29 -0.459 -6.461 0.800 226 HB2 ALA 29 HB2 ALA 29 -2.180 -6.668 0.477 227 HB3 ALA 29 HB3 ALA 29 -1.240 -5.511 -0.464 228 H ILE 30 HN ILE 30 0.780 -8.953 0.376 229 HA ILE 30 HA ILE 30 3.162 -7.736 -0.799 230 HB ILE 30 HB ILE 30 4.395 -9.194 0.721 231 HG12 ILE 30 HG12 ILE 30 1.698 -10.334 1.472 232 HG13 ILE 30 HG11 ILE 30 2.897 -11.201 0.519 233 HG21 ILE 30 HG21 ILE 30 3.910 -7.619 2.231 234 HG22 ILE 30 HG22 ILE 30 2.460 -8.513 2.680 235 HG23 ILE 30 HG23 ILE 30 2.385 -7.294 1.410 236 HD11 ILE 30 HD11 ILE 30 3.193 -10.235 3.372 237 HD12 ILE 30 HD12 ILE 30 4.520 -10.893 2.415 238 HD13 ILE 30 HD13 ILE 30 3.135 -11.908 2.816 239 H LEU 31 HN LEU 31 1.372 -10.787 -1.048 240 HA LEU 31 HA LEU 31 3.358 -12.106 -2.683 241 HB2 LEU 31 HB2 LEU 31 0.362 -12.459 -2.475 242 HB3 LEU 31 HB1 LEU 31 1.359 -13.464 -3.513 243 HG LEU 31 HG LEU 31 1.812 -13.126 -0.533 244 HD11 LEU 31 HD11 LEU 31 -0.091 -14.750 -2.003 245 HD12 LEU 31 HD12 LEU 31 0.082 -14.539 -0.261 246 HD13 LEU 31 HD13 LEU 31 1.037 -15.761 -1.101 247 HD21 LEU 31 HD21 LEU 31 3.824 -14.006 -1.106 248 HD22 LEU 31 HD22 LEU 31 3.276 -14.447 -2.721 249 HD23 LEU 31 HD23 LEU 31 2.942 -15.510 -1.355 250 H HIS 32 HN HIS 32 0.678 -9.905 -3.357 251 HA HIS 32 HA HIS 32 0.919 -10.066 -6.236 252 HB2 HIS 32 HB2 HIS 32 -0.500 -8.340 -4.272 253 HB3 HIS 32 HB1 HIS 32 -0.164 -7.615 -5.845 254 HD1 HIS 32 HD1 HIS 32 -1.332 -8.644 -7.920 255 HD2 HIS 32 HD2 HIS 32 -2.329 -10.535 -4.337 256 HE1 HIS 32 HE1 HIS 32 -3.313 -10.144 -8.426 257 HE2 HIS 32 HE2 HIS 32 -3.926 -11.298 -6.252 258 H GLU 33 HN GLU 33 2.405 -8.127 -3.696 259 HA GLU 33 HA GLU 33 3.693 -6.278 -5.506 260 HB2 GLU 33 HB2 GLU 33 4.262 -5.224 -3.594 261 HB3 GLU 33 HB1 GLU 33 3.359 -6.470 -2.745 262 HG2 GLU 33 HG2 GLU 33 5.451 -7.847 -2.628 263 HG3 GLU 33 HG1 GLU 33 6.332 -6.499 -3.356 264 H LYS 34 HN LYS 34 4.563 -9.391 -4.088 265 HA LYS 34 HA LYS 34 7.313 -9.299 -5.016 266 HB2 LYS 34 HB2 LYS 34 5.505 -11.340 -3.800 267 HB3 LYS 34 HB1 LYS 34 6.896 -11.932 -4.708 268 HG2 LYS 34 HG2 LYS 34 8.433 -10.957 -3.257 269 HG3 LYS 34 HG1 LYS 34 7.289 -9.732 -2.707 270 HD2 LYS 34 HD2 LYS 34 6.189 -11.213 -1.266 271 HD3 LYS 34 HD1 LYS 34 6.758 -12.636 -2.139 272 HE2 LYS 34 HE2 LYS 34 8.834 -12.604 -1.124 273 HE3 LYS 34 HE1 LYS 34 8.807 -10.857 -0.885 274 HZ1 LYS 34 HZ1 LYS 34 6.741 -12.284 0.534 275 HZ2 LYS 34 HZ2 LYS 34 7.788 -11.061 1.077 276 HZ3 LYS 34 HZ3 LYS 34 8.312 -12.677 1.033 277 H LYS 35 HN LYS 35 4.233 -10.156 -6.391 278 HA LYS 35 HA LYS 35 5.391 -11.647 -8.601 279 HB2 LYS 35 HB2 LYS 35 2.599 -10.600 -8.109 280 HB3 LYS 35 HB1 LYS 35 3.050 -11.607 -9.485 281 HG2 LYS 35 HG2 LYS 35 3.803 -12.558 -6.753 282 HG3 LYS 35 HG1 LYS 35 2.110 -12.684 -7.230 283 HD2 LYS 35 HD2 LYS 35 2.776 -13.914 -9.263 284 HD3 LYS 35 HD1 LYS 35 4.468 -13.790 -8.779 285 HE2 LYS 35 HE2 LYS 35 4.260 -15.584 -7.438 286 HE3 LYS 35 HE1 LYS 35 2.913 -14.829 -6.586 287 HZ1 LYS 35 HZ1 LYS 35 1.507 -15.537 -8.528 288 HZ2 LYS 35 HZ2 LYS 35 2.076 -16.794 -7.534 289 HZ3 LYS 35 HZ3 LYS 35 2.814 -16.492 -9.035 290 H GLY 36 HN GLY 36 3.212 -8.855 -8.797 291 HA2 GLY 36 HA2 GLY 36 4.599 -7.978 -11.242 292 HA3 GLY 36 HA1 GLY 36 3.120 -7.282 -10.586 293 H ASP 37 HN ASP 37 4.082 -6.800 -7.938 294 HA ASP 37 HA ASP 37 5.386 -5.264 -6.707 295 HB2 ASP 37 HB2 ASP 37 7.193 -6.267 -8.456 296 HB3 ASP 37 HB1 ASP 37 7.157 -4.584 -8.982 297 H LYS 38 HN LYS 38 3.286 -4.601 -8.996 298 HA LYS 38 HA LYS 38 3.200 -1.802 -8.405 299 HB2 LYS 38 HB2 LYS 38 3.576 -1.134 -10.851 300 HB3 LYS 38 HB1 LYS 38 4.980 -1.466 -9.842 301 HG2 LYS 38 HG2 LYS 38 5.357 -3.566 -10.827 302 HG3 LYS 38 HG1 LYS 38 3.712 -3.665 -11.458 303 HD2 LYS 38 HD2 LYS 38 5.420 -1.404 -12.404 304 HD3 LYS 38 HD1 LYS 38 5.774 -3.015 -13.032 305 HE2 LYS 38 HE2 LYS 38 2.930 -2.057 -12.989 306 HE3 LYS 38 HE1 LYS 38 4.011 -1.485 -14.261 307 HZ1 LYS 38 HZ1 LYS 38 2.807 -3.516 -14.878 308 HZ2 LYS 38 HZ2 LYS 38 3.548 -4.340 -13.589 309 HZ3 LYS 38 HZ3 LYS 38 4.488 -3.744 -14.873 310 H MET 39 HN MET 39 1.318 -4.070 -8.513 311 HA MET 39 HA MET 39 -0.718 -2.727 -10.162 312 HB2 MET 39 HB2 MET 39 -1.450 -4.863 -11.187 313 HB3 MET 39 HB1 MET 39 0.155 -4.368 -11.704 314 HG2 MET 39 HG2 MET 39 1.038 -5.851 -9.790 315 HG3 MET 39 HG1 MET 39 -0.592 -6.512 -9.714 316 HE1 MET 39 HE1 MET 39 1.378 -5.537 -13.311 317 HE2 MET 39 HE2 MET 39 2.583 -6.752 -12.891 318 HE3 MET 39 HE3 MET 39 2.222 -5.453 -11.758 319 H CYS 40 HN CYS 40 -2.509 -2.582 -9.071 320 HA CYS 40 HA CYS 40 -2.858 -3.701 -6.467 321 HB2 CYS 40 HB2 CYS 40 -4.010 -1.636 -7.748 322 HB3 CYS 40 HB1 CYS 40 -5.274 -2.842 -7.972 323 HA PRO 41 HA PRO 41 -4.326 -7.814 -7.521 324 HB2 PRO 41 HB2 PRO 41 -6.344 -7.527 -5.366 325 HB3 PRO 41 HB1 PRO 41 -5.098 -8.769 -5.587 326 HG2 PRO 41 HG2 PRO 41 -4.920 -6.843 -3.729 327 HG3 PRO 41 HG1 PRO 41 -3.505 -7.549 -4.524 328 HD2 PRO 41 HD2 PRO 41 -4.733 -4.871 -4.913 329 HD3 PRO 41 HD1 PRO 41 -3.051 -5.404 -5.133 330 H GLY 42 HN GLY 42 -6.718 -5.265 -6.916 331 HA2 GLY 42 HA2 GLY 42 -8.561 -6.620 -8.862 332 HA3 GLY 42 HA1 GLY 42 -9.103 -5.563 -7.566 333 H CYS 43 HN CYS 43 -7.311 -3.407 -7.902 334 HA CYS 43 HA CYS 43 -8.511 -2.202 -10.294 335 HB2 CYS 43 HB2 CYS 43 -6.515 -0.785 -8.568 336 HB3 CYS 43 HB1 CYS 43 -7.953 -0.148 -9.365 337 H SER 44 HN SER 44 -5.579 -3.789 -9.560 338 HA SER 44 HA SER 44 -3.522 -3.901 -10.701 339 HB2 SER 44 HB2 SER 44 -5.238 -4.748 -12.399 340 HB3 SER 44 HB1 SER 44 -5.184 -3.141 -13.114 341 HG SER 44 HG SER 44 -3.625 -4.195 -14.176 342 H ASP 45 HN ASP 45 -4.131 -1.351 -9.517 343 HA ASP 45 HA ASP 45 -3.314 0.669 -11.500 344 HB2 ASP 45 HB2 ASP 45 -4.482 2.026 -10.130 345 HB3 ASP 45 HB1 ASP 45 -4.741 0.681 -9.021 346 HA PRO 46 HA PRO 46 0.992 0.674 -10.625 347 HB2 PRO 46 HB2 PRO 46 1.491 3.374 -10.100 348 HB3 PRO 46 HB1 PRO 46 1.390 2.644 -11.710 349 HG2 PRO 46 HG2 PRO 46 -0.653 4.179 -10.199 350 HG3 PRO 46 HG1 PRO 46 -0.303 4.161 -11.936 351 HD2 PRO 46 HD2 PRO 46 -2.436 2.853 -10.895 352 HD3 PRO 46 HD1 PRO 46 -1.552 2.234 -12.308 353 H VAL 47 HN VAL 47 0.347 -0.488 -8.556 354 HA VAL 47 HA VAL 47 -0.048 0.610 -6.041 355 HB VAL 47 HB VAL 47 1.923 -1.616 -6.578 356 HG11 VAL 47 HG11 VAL 47 0.253 -0.789 -4.221 357 HG12 VAL 47 HG12 VAL 47 1.991 -1.074 -4.293 358 HG13 VAL 47 HG13 VAL 47 0.869 -2.431 -4.397 359 HG21 VAL 47 HG21 VAL 47 -1.088 -1.745 -6.318 360 HG22 VAL 47 HG22 VAL 47 -0.004 -3.123 -6.521 361 HG23 VAL 47 HG23 VAL 47 -0.191 -1.949 -7.819 362 H GLN 48 HN GLN 48 1.017 2.540 -5.531 363 HA GLN 48 HA GLN 48 3.799 3.020 -6.056 364 HB2 GLN 48 HB2 GLN 48 2.415 4.939 -5.685 365 HB3 GLN 48 HB1 GLN 48 1.825 4.298 -4.151 366 HG2 GLN 48 HG2 GLN 48 3.716 4.917 -3.014 367 HG3 GLN 48 HG1 GLN 48 4.770 4.617 -4.397 368 HE21 GLN 48 HE21 GLN 48 2.463 6.988 -3.041 369 HE22 GLN 48 HE22 GLN 48 3.033 8.304 -3.949 370 H ARG 49 HN ARG 49 2.138 2.435 -2.942 371 HA ARG 49 HA ARG 49 4.315 0.612 -2.187 372 HB2 ARG 49 HB2 ARG 49 5.493 2.105 -0.993 373 HB3 ARG 49 HB1 ARG 49 4.327 3.364 -1.372 374 HG2 ARG 49 HG2 ARG 49 2.944 2.689 0.551 375 HG3 ARG 49 HG1 ARG 49 4.075 1.380 0.917 376 HD2 ARG 49 HD2 ARG 49 5.028 4.229 0.721 377 HD3 ARG 49 HD1 ARG 49 4.325 3.611 2.217 378 HE ARG 49 HE ARG 49 6.343 1.797 1.289 379 HH11 ARG 49 HH21 ARG 49 5.849 4.922 2.660 380 HH12 ARG 49 HH22 ARG 49 7.377 4.952 3.475 381 HH21 ARG 49 HH11 ARG 49 8.342 1.818 2.345 382 HH22 ARG 49 HH12 ARG 49 8.788 3.194 3.296 383 H ILE 50 HN ILE 50 3.592 -0.959 -0.779 384 HA ILE 50 HA ILE 50 0.749 -0.791 0.000 385 HB ILE 50 HB ILE 50 2.499 -3.170 0.501 386 HG12 ILE 50 HG12 ILE 50 1.300 -2.266 -2.121 387 HG13 ILE 50 HG11 ILE 50 2.994 -2.587 -1.779 388 HG21 ILE 50 HG21 ILE 50 -0.067 -2.721 1.114 389 HG22 ILE 50 HG22 ILE 50 0.506 -4.316 0.634 390 HG23 ILE 50 HG23 ILE 50 -0.289 -3.274 -0.543 391 HD11 ILE 50 HD11 ILE 50 2.352 -4.976 -1.269 392 HD12 ILE 50 HD12 ILE 50 2.135 -4.504 -2.954 393 HD13 ILE 50 HD13 ILE 50 0.742 -4.608 -1.885 394 H GLU 51 HN GLU 51 0.083 -1.009 2.102 395 HA GLU 51 HA GLU 51 2.148 -1.066 4.231 396 HB2 GLU 51 HB2 GLU 51 -0.038 1.024 4.093 397 HB3 GLU 51 HB1 GLU 51 1.209 0.885 5.336 398 HG2 GLU 51 HG2 GLU 51 2.940 1.156 3.540 399 HG3 GLU 51 HG1 GLU 51 1.636 1.477 2.397 400 H GLN 52 HN GLN 52 1.323 -1.690 6.288 401 HA GLN 52 HA GLN 52 -1.186 -3.265 6.093 402 HB2 GLN 52 HB2 GLN 52 -0.349 -4.627 7.819 403 HB3 GLN 52 HB1 GLN 52 1.098 -4.227 6.892 404 HG2 GLN 52 HG2 GLN 52 1.300 -2.200 8.512 405 HG3 GLN 52 HG1 GLN 52 0.189 -3.109 9.537 406 HE21 GLN 52 HE21 GLN 52 0.934 -5.226 10.359 407 HE22 GLN 52 HE22 GLN 52 2.588 -5.602 10.394 408 H CYS 53 HN CYS 53 -2.908 -2.886 7.512 409 HA CYS 53 HA CYS 53 -2.578 -0.790 9.580 410 HB2 CYS 53 HB2 CYS 53 -3.866 -0.393 7.032 411 HB3 CYS 53 HB1 CYS 53 -5.055 -0.257 8.328 412 H THR 54 HN THR 54 -4.570 -0.662 10.982 413 HA THR 54 HA THR 54 -5.524 -3.374 11.545 414 HB THR 54 HB THR 54 -6.904 -1.614 13.214 415 HG1 THR 54 HG1 THR 54 -5.810 0.160 13.121 416 HG21 THR 54 HG21 THR 54 -5.272 -2.370 14.908 417 HG22 THR 54 HG22 THR 54 -4.211 -2.946 13.622 418 HG23 THR 54 HG23 THR 54 -5.784 -3.703 13.873 419 H ARG 55 HN ARG 55 -7.822 -3.893 11.657 420 HA ARG 55 HA ARG 55 -9.309 -3.217 9.385 421 HB2 ARG 55 HB2 ARG 55 -10.089 -5.104 10.532 422 HB3 ARG 55 HB1 ARG 55 -10.092 -4.274 12.089 423 HG2 ARG 55 HG2 ARG 55 -12.066 -3.097 11.603 424 HG3 ARG 55 HG1 ARG 55 -11.895 -3.342 9.864 425 HD2 ARG 55 HD2 ARG 55 -13.629 -4.786 11.231 426 HD3 ARG 55 HD1 ARG 55 -12.667 -5.536 9.957 427 HE ARG 55 HE ARG 55 -11.599 -6.815 11.622 428 HH11 ARG 55 HH21 ARG 55 -13.091 -3.994 12.928 429 HH12 ARG 55 HH22 ARG 55 -12.752 -4.415 14.574 430 HH21 ARG 55 HH11 ARG 55 -11.150 -7.381 13.764 431 HH22 ARG 55 HH12 ARG 55 -11.653 -6.332 15.046 432 H GLY 56 HN GLY 56 -10.065 -2.000 12.673 433 HA2 GLY 56 HA2 GLY 56 -11.773 0.082 11.614 434 HA3 GLY 56 HA1 GLY 56 -11.245 -0.061 13.289 435 H SER 57 HN SER 57 -8.819 0.005 10.770 436 HA SER 57 HA SER 57 -7.807 2.524 11.903 437 HB2 SER 57 HB2 SER 57 -6.358 0.505 11.247 438 HB3 SER 57 HB1 SER 57 -6.635 0.991 9.577 439 HG SER 57 HG SER 57 -5.276 2.330 11.647 440 H LEU 58 HN LEU 58 -9.501 1.386 9.095 441 HA LEU 58 HA LEU 58 -9.338 4.122 7.895 442 HB2 LEU 58 HB2 LEU 58 -10.185 1.740 6.296 443 HB3 LEU 58 HB1 LEU 58 -9.385 3.215 5.767 444 HG LEU 58 HG LEU 58 -8.091 1.006 7.401 445 HD11 LEU 58 HD11 LEU 58 -8.646 0.593 4.926 446 HD12 LEU 58 HD12 LEU 58 -6.955 0.399 5.393 447 HD13 LEU 58 HD13 LEU 58 -7.480 1.863 4.565 448 HD21 LEU 58 HD21 LEU 58 -6.671 2.696 7.968 449 HD22 LEU 58 HD22 LEU 58 -7.340 3.783 6.752 450 HD23 LEU 58 HD23 LEU 58 -6.115 2.600 6.299 451 H PHE 59 HN PHE 59 -11.369 4.510 6.453 452 HA PHE 59 HA PHE 59 -13.785 3.626 7.979 453 HB2 PHE 59 HB2 PHE 59 -13.424 6.254 6.523 454 HB3 PHE 59 HB1 PHE 59 -14.757 5.799 7.588 455 HD1 PHE 59 HD2 PHE 59 -11.046 6.266 7.536 456 HD2 PHE 59 HD1 PHE 59 -14.635 6.233 9.897 457 HE1 PHE 59 HE2 PHE 59 -9.768 7.102 9.491 458 HE2 PHE 59 HE1 PHE 59 -13.356 7.068 11.851 459 HZ PHE 59 HZ PHE 59 -10.923 7.502 11.649 460 H MET 60 HN MET 60 -15.073 2.353 6.749 461 HA MET 60 HA MET 60 -14.708 2.219 3.852 462 HB2 MET 60 HB2 MET 60 -16.827 0.880 5.555 463 HB3 MET 60 HB1 MET 60 -16.325 0.415 3.930 464 HG2 MET 60 HG2 MET 60 -14.070 -0.107 4.756 465 HG3 MET 60 HG1 MET 60 -14.538 0.396 6.381 466 HE1 MET 60 HE1 MET 60 -14.369 -3.683 5.130 467 HE2 MET 60 HE2 MET 60 -13.268 -2.325 5.353 468 HE3 MET 60 HE3 MET 60 -14.253 -2.421 3.895 469 H CYS 61 HN CYS 61 -16.175 2.884 2.274 470 HA CYS 61 HA CYS 61 -18.197 4.876 3.172 471 HB2 CYS 61 HB2 CYS 61 -16.923 5.919 1.530 472 HB3 CYS 61 HB1 CYS 61 -16.656 4.420 0.641 473 H SER 62 HN SER 62 -19.952 3.529 3.728 474 HA SER 62 HA SER 62 -20.844 1.415 1.914 475 HB2 SER 62 HB2 SER 62 -22.366 2.622 4.235 476 HB3 SER 62 HB1 SER 62 -22.602 1.033 3.510 477 HG SER 62 HG SER 62 -20.106 1.795 4.578 478 H ILE 63 HN ILE 63 -21.457 4.796 2.359 479 HA ILE 63 HA ILE 63 -24.019 5.222 1.417 480 HB ILE 63 HB ILE 63 -21.445 6.676 0.803 481 HG12 ILE 63 HG12 ILE 63 -23.823 7.429 2.526 482 HG13 ILE 63 HG11 ILE 63 -22.408 6.584 3.146 483 HG21 ILE 63 HG21 ILE 63 -23.278 8.553 0.265 484 HG22 ILE 63 HG22 ILE 63 -24.215 7.140 -0.219 485 HG23 ILE 63 HG23 ILE 63 -22.665 7.477 -0.989 486 HD11 ILE 63 HD11 ILE 63 -22.741 9.388 2.767 487 HD12 ILE 63 HD12 ILE 63 -21.517 8.840 1.629 488 HD13 ILE 63 HD13 ILE 63 -21.313 8.535 3.349 489 H VAL 64 HN VAL 64 -25.047 5.188 -0.592 490 HA VAL 64 HA VAL 64 -25.468 4.356 -2.747 491 HB VAL 64 HB VAL 64 -22.658 5.445 -3.029 492 HG11 VAL 64 HG11 VAL 64 -24.396 3.977 -4.950 493 HG12 VAL 64 HG12 VAL 64 -22.637 4.090 -4.883 494 HG13 VAL 64 HG13 VAL 64 -23.582 5.418 -5.559 495 HG21 VAL 64 HG21 VAL 64 -25.410 6.450 -3.823 496 HG22 VAL 64 HG22 VAL 64 -23.896 7.246 -4.255 497 HG23 VAL 64 HG23 VAL 64 -24.373 7.117 -2.561 498 H GLN 65 HN GLN 65 -25.660 2.128 -2.307 499 HA GLN 65 HA GLN 65 -23.536 0.332 -1.784 500 HB2 GLN 65 HB2 GLN 65 -26.294 0.043 -2.925 501 HB3 GLN 65 HB1 GLN 65 -25.197 -1.336 -2.993 502 HG2 GLN 65 HG2 GLN 65 -24.984 -1.429 -0.635 503 HG3 GLN 65 HG1 GLN 65 -25.642 0.195 -0.430 504 HE21 GLN 65 HE21 GLN 65 -26.589 -3.095 -1.535 505 HE22 GLN 65 HE22 GLN 65 -28.224 -2.930 -1.112 506 H GLY 66 HN GLY 66 -21.770 0.833 -3.181 507 HA2 GLY 66 HA2 GLY 66 -21.634 -0.643 -5.610 508 HA3 GLY 66 HA1 GLY 66 -21.927 1.050 -6.012 509 H CYS 67 HN CYS 67 -20.448 2.432 -4.206 510 HA CYS 67 HA CYS 67 -17.693 1.707 -5.007 511 HB2 CYS 67 HB2 CYS 67 -17.498 3.944 -5.171 512 HB3 CYS 67 HB1 CYS 67 -19.110 4.157 -4.488 513 H LYS 68 HN LYS 68 -15.959 1.974 -3.284 514 HA LYS 68 HA LYS 68 -16.753 1.651 -0.499 515 HB2 LYS 68 HB2 LYS 68 -15.698 -0.632 -0.291 516 HB3 LYS 68 HB1 LYS 68 -17.210 -0.620 -1.201 517 HG2 LYS 68 HG2 LYS 68 -14.935 -0.107 -2.937 518 HG3 LYS 68 HG1 LYS 68 -14.750 -1.635 -2.077 519 HD2 LYS 68 HD2 LYS 68 -17.003 -2.326 -2.812 520 HD3 LYS 68 HD1 LYS 68 -17.186 -0.801 -3.680 521 HE2 LYS 68 HE2 LYS 68 -16.482 -2.585 -5.220 522 HE3 LYS 68 HE1 LYS 68 -15.217 -1.365 -5.070 523 HZ1 LYS 68 HZ1 LYS 68 -14.822 -3.992 -4.752 524 HZ2 LYS 68 HZ2 LYS 68 -15.076 -3.516 -3.141 525 HZ3 LYS 68 HZ3 LYS 68 -13.842 -2.794 -4.058 526 H ARG 69 HN ARG 69 -15.101 3.536 -1.697 527 HA ARG 69 HA ARG 69 -12.309 2.687 -1.461 528 HB2 ARG 69 HB2 ARG 69 -13.748 5.215 -2.148 529 HB3 ARG 69 HB1 ARG 69 -12.088 5.347 -1.564 530 HG2 ARG 69 HG2 ARG 69 -12.710 3.322 -3.685 531 HG3 ARG 69 HG1 ARG 69 -12.573 5.019 -4.145 532 HD2 ARG 69 HD2 ARG 69 -10.454 3.786 -2.410 533 HD3 ARG 69 HD1 ARG 69 -10.427 3.501 -4.152 534 HE ARG 69 HE ARG 69 -9.814 6.024 -2.819 535 HH11 ARG 69 HH21 ARG 69 -10.963 4.445 -5.660 536 HH12 ARG 69 HH22 ARG 69 -10.511 5.737 -6.721 537 HH21 ARG 69 HH11 ARG 69 -9.217 7.720 -4.189 538 HH22 ARG 69 HH12 ARG 69 -9.523 7.591 -5.888 539 H THR 70 HN THR 70 -11.268 2.557 0.472 540 HA THR 70 HA THR 70 -12.523 3.658 2.876 541 HB THR 70 HB THR 70 -9.972 2.799 3.579 542 HG1 THR 70 HG1 THR 70 -9.407 1.727 1.848 543 HG21 THR 70 HG21 THR 70 -11.175 0.778 4.397 544 HG22 THR 70 HG22 THR 70 -12.588 1.283 3.472 545 HG23 THR 70 HG23 THR 70 -12.004 2.280 4.804 546 H TYR 71 HN TYR 71 -10.908 4.813 4.461 547 HA TYR 71 HA TYR 71 -8.930 6.518 3.157 548 HB2 TYR 71 HB2 TYR 71 -11.487 7.678 4.293 549 HB3 TYR 71 HB1 TYR 71 -10.063 8.632 3.876 550 HD1 TYR 71 HD2 TYR 71 -9.239 8.680 1.508 551 HD2 TYR 71 HD1 TYR 71 -12.972 6.856 2.597 552 HE1 TYR 71 HE2 TYR 71 -9.949 8.717 -0.866 553 HE2 TYR 71 HE1 TYR 71 -13.680 6.890 0.221 554 HH TYR 71 HH TYR 71 -11.500 7.563 -2.334 555 H LEU 72 HN LEU 72 -8.365 8.304 5.050 556 HA LEU 72 HA LEU 72 -8.070 6.689 7.545 557 HB2 LEU 72 HB2 LEU 72 -6.129 8.815 7.329 558 HB3 LEU 72 HB1 LEU 72 -5.859 7.081 7.488 559 HG LEU 72 HG LEU 72 -6.481 8.502 4.877 560 HD11 LEU 72 HD11 LEU 72 -4.272 9.137 5.619 561 HD12 LEU 72 HD12 LEU 72 -4.083 7.909 4.367 562 HD13 LEU 72 HD13 LEU 72 -3.890 7.473 6.065 563 HD21 LEU 72 HD21 LEU 72 -6.691 5.776 5.642 564 HD22 LEU 72 HD22 LEU 72 -5.222 5.905 4.678 565 HD23 LEU 72 HD23 LEU 72 -6.762 6.434 4.007 566 H SER 73 HN SER 73 -9.615 9.364 6.287 567 HA SER 73 HA SER 73 -10.051 10.408 9.023 568 HB2 SER 73 HB2 SER 73 -8.283 11.862 8.420 569 HB3 SER 73 HB1 SER 73 -8.844 11.991 6.756 570 HG SER 73 HG SER 73 -9.464 13.835 7.836 571 H GLN 74 HN GLN 74 -12.188 10.819 9.268 572 HA GLN 74 HA GLN 74 -14.167 10.311 7.392 573 HB2 GLN 74 HB2 GLN 74 -14.260 11.076 9.953 574 HB3 GLN 74 HB1 GLN 74 -14.638 12.631 9.212 575 HG2 GLN 74 HG2 GLN 74 -16.763 11.692 9.415 576 HG3 GLN 74 HG1 GLN 74 -16.325 11.213 7.775 577 HE21 GLN 74 HE21 GLN 74 -15.546 8.953 7.469 578 HE22 GLN 74 HE22 GLN 74 -15.965 7.754 8.595 579 H ARG 75 HN ARG 75 -12.075 13.062 7.594 580 HA ARG 75 HA ARG 75 -13.641 14.879 5.992 581 HB2 ARG 75 HB2 ARG 75 -11.712 15.519 7.484 582 HB3 ARG 75 HB1 ARG 75 -10.629 14.782 6.303 583 HG2 ARG 75 HG2 ARG 75 -12.220 16.408 4.731 584 HG3 ARG 75 HG1 ARG 75 -12.020 17.358 6.201 585 HD2 ARG 75 HD2 ARG 75 -9.531 16.880 6.042 586 HD3 ARG 75 HD1 ARG 75 -9.845 16.226 4.434 587 HE ARG 75 HE ARG 75 -10.975 18.866 4.686 588 HH11 ARG 75 HH21 ARG 75 -8.043 17.088 4.329 589 HH12 ARG 75 HH22 ARG 75 -7.214 18.364 3.502 590 HH21 ARG 75 HH11 ARG 75 -9.911 20.543 3.608 591 HH22 ARG 75 HH12 ARG 75 -8.271 20.320 3.094 592 H ASP 76 HN ASP 76 -11.312 12.349 5.267 593 HA ASP 76 HA ASP 76 -11.173 13.064 2.430 594 HB2 ASP 76 HB2 ASP 76 -9.930 11.031 4.212 595 HB3 ASP 76 HB1 ASP 76 -10.118 10.579 2.519 596 H LEU 77 HN LEU 77 -12.794 10.722 4.487 597 HA LEU 77 HA LEU 77 -14.016 9.276 2.297 598 HB2 LEU 77 HB2 LEU 77 -13.772 8.125 4.397 599 HB3 LEU 77 HB1 LEU 77 -14.544 9.441 5.273 600 HG LEU 77 HG LEU 77 -16.200 8.315 3.111 601 HD11 LEU 77 HD11 LEU 77 -15.080 6.261 3.885 602 HD12 LEU 77 HD12 LEU 77 -16.770 6.283 4.385 603 HD13 LEU 77 HD13 LEU 77 -15.504 6.660 5.549 604 HD21 LEU 77 HD21 LEU 77 -16.801 8.581 6.062 605 HD22 LEU 77 HD22 LEU 77 -17.927 8.662 4.708 606 HD23 LEU 77 HD23 LEU 77 -16.799 9.984 4.997 607 H GLN 78 HN GLN 78 -14.801 12.013 4.373 608 HA GLN 78 HA GLN 78 -17.515 12.225 3.412 609 HB2 GLN 78 HB2 GLN 78 -16.780 13.316 5.535 610 HB3 GLN 78 HB1 GLN 78 -15.756 14.398 4.591 611 HG2 GLN 78 HG2 GLN 78 -17.850 15.532 5.093 612 HG3 GLN 78 HG1 GLN 78 -17.803 15.175 3.368 613 HE21 GLN 78 HE21 GLN 78 -19.192 13.401 2.572 614 HE22 GLN 78 HE22 GLN 78 -20.486 12.829 3.510 615 H ALA 79 HN ALA 79 -14.375 13.270 2.448 616 HA ALA 79 HA ALA 79 -15.294 15.066 0.353 617 HB1 ALA 79 HB1 ALA 79 -12.618 13.662 0.660 618 HB2 ALA 79 HB2 ALA 79 -13.016 15.218 1.387 619 HB3 ALA 79 HB3 ALA 79 -12.955 15.055 -0.368 620 H HIS 80 HN HIS 80 -14.959 11.643 0.787 621 HA HIS 80 HA HIS 80 -14.656 11.022 -2.045 622 HB2 HIS 80 HB2 HIS 80 -13.992 9.354 -0.407 623 HB3 HIS 80 HB1 HIS 80 -15.622 9.309 0.256 624 HD1 HIS 80 HD1 HIS 80 -13.605 8.191 -2.698 625 HD2 HIS 80 HD2 HIS 80 -17.532 7.934 -1.336 626 HE1 HIS 80 HE1 HIS 80 -14.756 6.471 -4.156 627 H ILE 81 HN ILE 81 -17.358 11.143 0.215 628 HA ILE 81 HA ILE 81 -19.419 10.368 -1.588 629 HB ILE 81 HB ILE 81 -19.918 12.489 0.458 630 HG12 ILE 81 HG12 ILE 81 -18.376 11.128 1.629 631 HG13 ILE 81 HG11 ILE 81 -19.971 10.669 2.205 632 HG21 ILE 81 HG21 ILE 81 -21.837 11.647 -0.723 633 HG22 ILE 81 HG22 ILE 81 -21.896 11.019 0.920 634 HG23 ILE 81 HG23 ILE 81 -21.372 9.976 -0.403 635 HD11 ILE 81 HD11 ILE 81 -18.014 9.121 0.594 636 HD12 ILE 81 HD12 ILE 81 -19.711 8.916 0.165 637 HD13 ILE 81 HD13 ILE 81 -19.166 8.561 1.801 638 H ASN 82 HN ASN 82 -18.320 13.611 -0.664 639 HA ASN 82 HA ASN 82 -20.024 14.946 -2.553 640 HB2 ASN 82 HB2 ASN 82 -17.432 16.111 -1.567 641 HB3 ASN 82 HB1 ASN 82 -18.968 16.924 -1.871 642 HD21 ASN 82 HD21 ASN 82 -17.176 16.523 0.677 643 HD22 ASN 82 HD22 ASN 82 -18.298 16.042 1.855 644 H HIS 83 HN HIS 83 -17.023 13.258 -2.870 645 HA HIS 83 HA HIS 83 -16.285 14.753 -5.272 646 HB2 HIS 83 HB2 HIS 83 -15.072 12.446 -3.807 647 HB3 HIS 83 HB1 HIS 83 -14.523 12.855 -5.428 648 HD1 HIS 83 HD1 HIS 83 -12.219 13.721 -4.564 649 HD2 HIS 83 HD2 HIS 83 -15.495 15.769 -2.991 650 HE1 HIS 83 HE1 HIS 83 -11.296 15.803 -3.451 651 HE2 HIS 83 HE2 HIS 83 -13.281 17.057 -2.491 652 H ARG 84 HN ARG 84 -17.883 11.658 -4.596 653 HA ARG 84 HA ARG 84 -18.162 11.325 -7.556 654 HB2 ARG 84 HB2 ARG 84 -18.141 8.894 -5.860 655 HB3 ARG 84 HB1 ARG 84 -17.495 9.144 -7.484 656 HG2 ARG 84 HG2 ARG 84 -15.690 10.579 -6.455 657 HG3 ARG 84 HG1 ARG 84 -16.274 10.071 -4.871 658 HD2 ARG 84 HD2 ARG 84 -14.532 8.557 -5.350 659 HD3 ARG 84 HD1 ARG 84 -16.003 7.665 -5.743 660 HE ARG 84 HE ARG 84 -14.921 9.089 -8.038 661 HH11 ARG 84 HH21 ARG 84 -14.750 6.277 -6.051 662 HH12 ARG 84 HH22 ARG 84 -14.092 5.272 -7.299 663 HH21 ARG 84 HH11 ARG 84 -14.062 7.793 -9.680 664 HH22 ARG 84 HH12 ARG 84 -13.702 6.130 -9.353 665 H HIS 85 HN HIS 85 -19.764 11.207 -4.475 666 HA HIS 85 HA HIS 85 -22.176 10.031 -5.747 667 HB2 HIS 85 HB2 HIS 85 -21.759 10.666 -2.825 668 HB3 HIS 85 HB1 HIS 85 -22.962 9.589 -3.533 669 HD1 HIS 85 HD1 HIS 85 -22.332 7.205 -3.226 670 HD2 HIS 85 HD2 HIS 85 -18.957 9.606 -3.728 671 HE1 HIS 85 HE1 HIS 85 -20.329 5.657 -3.126 672 H MET 86 HN MET 86 -21.153 12.779 -3.769 673 HA MET 86 HA MET 86 -22.217 14.844 -3.373 674 HB2 MET 86 HB2 MET 86 -21.342 14.670 -5.895 675 HB3 MET 86 HB1 MET 86 -23.064 14.848 -6.230 676 HG2 MET 86 HG2 MET 86 -22.899 16.803 -4.467 677 HG3 MET 86 HG1 MET 86 -21.187 16.766 -4.892 678 HE1 MET 86 HE1 MET 86 -23.794 19.066 -5.497 679 HE2 MET 86 HE2 MET 86 -22.792 19.834 -6.726 680 HE3 MET 86 HE3 MET 86 -22.053 19.246 -5.238 681 H ARG 87 HN ARG 87 -23.930 12.527 -2.935 682 HA ARG 87 HA ARG 87 -26.531 13.895 -3.236 683 HB2 ARG 87 HB2 ARG 87 -25.734 11.413 -4.633 684 HB3 ARG 87 HB1 ARG 87 -27.282 11.324 -3.791 685 HG2 ARG 87 HG2 ARG 87 -26.628 13.674 -5.563 686 HG3 ARG 87 HG1 ARG 87 -27.273 12.181 -6.244 687 HD2 ARG 87 HD2 ARG 87 -29.341 12.491 -5.323 688 HD3 ARG 87 HD1 ARG 87 -28.689 13.215 -3.854 689 HE ARG 87 HE ARG 87 -28.270 15.029 -6.014 690 HH11 ARG 87 HH21 ARG 87 -30.756 13.582 -4.113 691 HH12 ARG 87 HH22 ARG 87 -31.841 14.923 -4.272 692 HH21 ARG 87 HH11 ARG 87 -29.673 16.788 -6.232 693 HH22 ARG 87 HH12 ARG 87 -31.228 16.737 -5.472 694 H ALA 88 HN ALA 88 -27.290 13.951 -1.179 695 HA ALA 88 HA ALA 88 -27.875 11.661 0.367 696 HB1 ALA 88 HB1 ALA 88 -25.717 11.110 0.943 697 HB2 ALA 88 HB2 ALA 88 -26.009 12.325 2.187 698 HB3 ALA 88 HB3 ALA 88 -25.127 12.757 0.722 699 H GLY 89 HN GLY 89 -28.591 12.271 2.596 700 HA2 GLY 89 HA2 GLY 89 -28.573 14.813 3.730 701 HA3 GLY 89 HA1 GLY 89 -29.897 14.859 2.566 Start of MODEL 20 1 H1 VAL 1 HT1 VAL 1 -11.610 -7.544 11.378 2 H2 VAL 1 HT2 VAL 1 -11.682 -6.382 10.141 3 H3 VAL 1 HT3 VAL 1 -10.180 -6.874 10.762 4 HA VAL 1 HA VAL 1 -10.425 -7.963 8.694 5 HB VAL 1 HB VAL 1 -10.309 -10.269 9.373 6 HG11 VAL 1 HG11 VAL 1 -8.736 -10.135 11.163 7 HG12 VAL 1 HG12 VAL 1 -9.502 -8.692 11.824 8 HG13 VAL 1 HG13 VAL 1 -8.607 -8.599 10.307 9 HG21 VAL 1 HG21 VAL 1 -11.079 -10.700 11.867 10 HG22 VAL 1 HG22 VAL 1 -12.259 -10.745 10.557 11 HG23 VAL 1 HG23 VAL 1 -12.117 -9.306 11.567 12 H HIS 2 HN HIS 2 -11.742 -9.443 7.343 13 HA HIS 2 HA HIS 2 -14.501 -9.975 7.933 14 HB2 HIS 2 HB2 HIS 2 -14.797 -7.569 7.711 15 HB3 HIS 2 HB1 HIS 2 -13.917 -7.567 6.183 16 HD1 HIS 2 HD1 HIS 2 -16.960 -9.394 7.616 17 HD2 HIS 2 HD2 HIS 2 -15.645 -7.688 4.044 18 HE1 HIS 2 HE1 HIS 2 -18.859 -9.649 5.958 19 HE2 HIS 2 HE2 HIS 2 -18.070 -8.614 3.780 20 H PHE 3 HN PHE 3 -13.523 -8.739 4.796 21 HA PHE 3 HA PHE 3 -12.775 -11.367 3.775 22 HB2 PHE 3 HB2 PHE 3 -15.465 -10.158 3.274 23 HB3 PHE 3 HB1 PHE 3 -14.688 -11.078 1.985 24 HD1 PHE 3 HD2 PHE 3 -13.562 -13.369 2.836 25 HD2 PHE 3 HD1 PHE 3 -16.831 -11.344 4.752 26 HE1 PHE 3 HE2 PHE 3 -14.236 -15.490 3.930 27 HE2 PHE 3 HE1 PHE 3 -17.503 -13.465 5.846 28 HZ PHE 3 HZ PHE 3 -16.206 -15.538 5.435 29 H CYS 4 HN CYS 4 -11.341 -11.094 2.175 30 HA CYS 4 HA CYS 4 -10.627 -8.465 1.228 31 HB2 CYS 4 HB2 CYS 4 -9.002 -10.315 1.360 32 HB3 CYS 4 HB1 CYS 4 -9.904 -11.188 0.122 33 H ASP 5 HN ASP 5 -11.023 -7.526 -0.807 34 HA ASP 5 HA ASP 5 -13.510 -8.372 -2.080 35 HB2 ASP 5 HB2 ASP 5 -12.208 -5.949 -1.782 36 HB3 ASP 5 HB1 ASP 5 -11.942 -6.331 -3.484 37 H LYS 6 HN LYS 6 -10.070 -8.661 -2.741 38 HA LYS 6 HA LYS 6 -10.651 -9.695 -5.459 39 HB2 LYS 6 HB2 LYS 6 -8.384 -8.387 -4.175 40 HB3 LYS 6 HB1 LYS 6 -7.906 -9.823 -5.080 41 HG2 LYS 6 HG2 LYS 6 -9.710 -7.678 -6.226 42 HG3 LYS 6 HG1 LYS 6 -7.959 -7.668 -6.425 43 HD2 LYS 6 HD2 LYS 6 -8.066 -9.211 -8.064 44 HD3 LYS 6 HD1 LYS 6 -9.047 -10.281 -7.064 45 HE2 LYS 6 HE2 LYS 6 -10.287 -9.635 -9.085 46 HE3 LYS 6 HE1 LYS 6 -11.063 -8.963 -7.650 47 HZ1 LYS 6 HZ1 LYS 6 -10.574 -7.478 -9.722 48 HZ2 LYS 6 HZ2 LYS 6 -9.026 -7.367 -9.029 49 HZ3 LYS 6 HZ3 LYS 6 -10.391 -6.858 -8.154 50 H CYS 7 HN CYS 7 -9.010 -10.696 -2.459 51 HA CYS 7 HA CYS 7 -8.641 -13.405 -3.517 52 HB2 CYS 7 HB2 CYS 7 -8.215 -12.587 -0.648 53 HB3 CYS 7 HB1 CYS 7 -7.395 -13.850 -1.564 54 H GLY 8 HN GLY 8 -11.030 -11.712 -1.676 55 HA2 GLY 8 HA2 GLY 8 -13.101 -12.460 -0.856 56 HA3 GLY 8 HA1 GLY 8 -12.819 -13.964 -1.731 57 H LEU 9 HN LEU 9 -10.168 -13.423 0.204 58 HA LEU 9 HA LEU 9 -11.161 -15.389 2.194 59 HB2 LEU 9 HB2 LEU 9 -8.513 -14.572 1.128 60 HB3 LEU 9 HB1 LEU 9 -8.540 -14.987 2.839 61 HG LEU 9 HG LEU 9 -9.648 -17.148 2.266 62 HD11 LEU 9 HD11 LEU 9 -9.184 -16.162 -0.565 63 HD12 LEU 9 HD12 LEU 9 -10.741 -16.510 0.186 64 HD13 LEU 9 HD13 LEU 9 -9.611 -17.822 -0.151 65 HD21 LEU 9 HD21 LEU 9 -7.638 -18.154 1.128 66 HD22 LEU 9 HD22 LEU 9 -7.237 -17.140 2.515 67 HD23 LEU 9 HD23 LEU 9 -7.027 -16.518 0.878 68 HA PRO 10 HA PRO 10 -11.667 -12.446 5.433 69 HB2 PRO 10 HB2 PRO 10 -10.313 -13.660 7.530 70 HB3 PRO 10 HB1 PRO 10 -11.990 -13.987 7.058 71 HG2 PRO 10 HG2 PRO 10 -9.525 -15.532 6.473 72 HG3 PRO 10 HG1 PRO 10 -11.179 -16.101 6.757 73 HD2 PRO 10 HD2 PRO 10 -10.080 -16.003 4.266 74 HD3 PRO 10 HD1 PRO 10 -11.819 -15.767 4.550 75 H ILE 11 HN ILE 11 -10.630 -10.549 5.572 76 HA ILE 11 HA ILE 11 -7.777 -10.340 5.103 77 HB ILE 11 HB ILE 11 -9.786 -8.248 5.984 78 HG12 ILE 11 HG12 ILE 11 -8.713 -8.951 3.246 79 HG13 ILE 11 HG11 ILE 11 -10.308 -9.416 3.840 80 HG21 ILE 11 HG21 ILE 11 -7.654 -7.209 4.398 81 HG22 ILE 11 HG22 ILE 11 -6.938 -8.171 5.686 82 HG23 ILE 11 HG23 ILE 11 -8.026 -6.845 6.081 83 HD11 ILE 11 HD11 ILE 11 -11.129 -7.411 3.248 84 HD12 ILE 11 HD12 ILE 11 -9.541 -6.947 2.633 85 HD13 ILE 11 HD13 ILE 11 -9.968 -6.618 4.311 86 H LYS 12 HN LYS 12 -6.498 -11.119 6.738 87 HA LYS 12 HA LYS 12 -7.153 -10.768 9.548 88 HB2 LYS 12 HB2 LYS 12 -4.554 -11.359 9.673 89 HB3 LYS 12 HB1 LYS 12 -5.750 -12.599 9.289 90 HG2 LYS 12 HG2 LYS 12 -5.296 -12.459 6.955 91 HG3 LYS 12 HG1 LYS 12 -4.395 -10.955 7.144 92 HD2 LYS 12 HD2 LYS 12 -2.486 -12.040 7.695 93 HD3 LYS 12 HD1 LYS 12 -3.331 -13.150 8.775 94 HE2 LYS 12 HE2 LYS 12 -2.237 -14.183 6.692 95 HE3 LYS 12 HE1 LYS 12 -3.923 -14.605 6.991 96 HZ1 LYS 12 HZ1 LYS 12 -4.653 -13.292 5.286 97 HZ2 LYS 12 HZ2 LYS 12 -3.160 -13.798 4.653 98 HZ3 LYS 12 HZ3 LYS 12 -3.315 -12.253 5.344 99 H VAL 13 HN VAL 13 -5.309 -9.033 7.124 100 HA VAL 13 HA VAL 13 -5.092 -6.739 8.968 101 HB VAL 13 HB VAL 13 -2.698 -7.418 7.343 102 HG11 VAL 13 HG11 VAL 13 -1.560 -6.287 9.238 103 HG12 VAL 13 HG12 VAL 13 -3.114 -6.131 10.055 104 HG13 VAL 13 HG13 VAL 13 -2.825 -5.278 8.538 105 HG21 VAL 13 HG21 VAL 13 -1.767 -8.705 9.289 106 HG22 VAL 13 HG22 VAL 13 -3.097 -9.530 8.479 107 HG23 VAL 13 HG23 VAL 13 -3.378 -8.693 10.006 108 H TYR 14 HN TYR 14 -5.173 -4.791 7.797 109 HA TYR 14 HA TYR 14 -6.200 -5.019 5.097 110 HB2 TYR 14 HB2 TYR 14 -5.676 -2.770 6.986 111 HB3 TYR 14 HB1 TYR 14 -5.907 -2.409 5.278 112 HD1 TYR 14 HD2 TYR 14 -7.478 -5.040 7.442 113 HD2 TYR 14 HD1 TYR 14 -8.057 -1.521 5.060 114 HE1 TYR 14 HE2 TYR 14 -9.927 -5.257 7.724 115 HE2 TYR 14 HE1 TYR 14 -10.510 -1.729 5.346 116 HH TYR 14 HH TYR 14 -11.910 -4.054 7.550 117 H GLY 15 HN GLY 15 -4.847 -5.445 3.455 118 HA2 GLY 15 HA2 GLY 15 -2.072 -4.509 3.455 119 HA3 GLY 15 HA1 GLY 15 -2.865 -5.410 2.155 120 H ARG 16 HN ARG 16 -2.639 -2.247 3.661 121 HA ARG 16 HA ARG 16 -4.286 -0.873 1.752 122 HB2 ARG 16 HB2 ARG 16 -3.699 0.057 3.974 123 HB3 ARG 16 HB1 ARG 16 -2.024 0.226 3.450 124 HG2 ARG 16 HG2 ARG 16 -2.470 2.114 2.291 125 HG3 ARG 16 HG1 ARG 16 -3.924 1.426 1.571 126 HD2 ARG 16 HD2 ARG 16 -5.178 1.864 3.640 127 HD3 ARG 16 HD1 ARG 16 -3.724 2.519 4.393 128 HE ARG 16 HE ARG 16 -5.450 3.931 2.548 129 HH11 ARG 16 HH21 ARG 16 -2.201 3.448 3.601 130 HH12 ARG 16 HH22 ARG 16 -1.671 5.028 3.126 131 HH21 ARG 16 HH11 ARG 16 -4.774 5.997 1.925 132 HH22 ARG 16 HH12 ARG 16 -3.127 6.470 2.177 133 H MET 17 HN MET 17 -3.837 -0.157 -0.266 134 HA MET 17 HA MET 17 -1.000 -0.322 -1.195 135 HB2 MET 17 HB2 MET 17 -3.430 -0.493 -2.979 136 HB3 MET 17 HB1 MET 17 -1.772 -0.968 -3.347 137 HG2 MET 17 HG2 MET 17 -2.052 -2.636 -1.376 138 HG3 MET 17 HG1 MET 17 -3.778 -2.345 -1.581 139 HE1 MET 17 HE1 MET 17 -0.518 -2.930 -3.329 140 HE2 MET 17 HE2 MET 17 -0.803 -4.233 -4.478 141 HE3 MET 17 HE3 MET 17 -0.840 -4.568 -2.751 142 H ILE 18 HN ILE 18 -0.128 1.492 -2.078 143 HA ILE 18 HA ILE 18 -1.934 3.810 -2.597 144 HB ILE 18 HB ILE 18 0.498 4.964 -2.137 145 HG12 ILE 18 HG12 ILE 18 0.334 2.589 -0.264 146 HG13 ILE 18 HG11 ILE 18 1.487 2.776 -1.588 147 HG21 ILE 18 HG21 ILE 18 -0.367 5.540 0.086 148 HG22 ILE 18 HG22 ILE 18 -1.477 4.173 0.032 149 HG23 ILE 18 HG23 ILE 18 -1.701 5.534 -1.064 150 HD11 ILE 18 HD11 ILE 18 2.272 4.907 -0.522 151 HD12 ILE 18 HD12 ILE 18 2.564 3.479 0.473 152 HD13 ILE 18 HD13 ILE 18 1.219 4.554 0.848 153 HA PRO 19 HA PRO 19 -1.244 5.944 -3.304 154 HB2 PRO 19 HB2 PRO 19 -1.872 7.428 -5.473 155 HB3 PRO 19 HB1 PRO 19 -0.220 7.354 -4.827 156 HG2 PRO 19 HG2 PRO 19 -1.386 6.010 -7.201 157 HG3 PRO 19 HG1 PRO 19 0.240 6.665 -6.955 158 HD2 PRO 19 HD2 PRO 19 -0.447 3.962 -6.765 159 HD3 PRO 19 HD1 PRO 19 1.022 4.695 -6.088 160 H CYS 20 HN CYS 20 -2.541 3.556 -5.265 161 HA CYS 20 HA CYS 20 -5.113 4.456 -5.960 162 HB2 CYS 20 HB2 CYS 20 -3.989 2.144 -6.356 163 HB3 CYS 20 HB1 CYS 20 -4.661 1.716 -4.784 164 H LYS 21 HN LYS 21 -3.854 3.362 -2.857 165 HA LYS 21 HA LYS 21 -4.657 3.796 -0.697 166 HB2 LYS 21 HB2 LYS 21 -5.710 5.881 -2.104 167 HB3 LYS 21 HB1 LYS 21 -7.184 5.057 -1.591 168 HG2 LYS 21 HG2 LYS 21 -6.148 4.996 0.753 169 HG3 LYS 21 HG1 LYS 21 -4.963 6.150 0.139 170 HD2 LYS 21 HD2 LYS 21 -7.362 7.226 -0.722 171 HD3 LYS 21 HD1 LYS 21 -7.773 6.575 0.865 172 HE2 LYS 21 HE2 LYS 21 -6.996 8.790 1.275 173 HE3 LYS 21 HE1 LYS 21 -5.657 7.735 1.725 174 HZ1 LYS 21 HZ1 LYS 21 -5.105 9.710 0.277 175 HZ2 LYS 21 HZ2 LYS 21 -5.907 8.901 -0.984 176 HZ3 LYS 21 HZ3 LYS 21 -4.536 8.204 -0.260 177 H HIS 22 HN HIS 22 -5.373 1.533 -2.488 178 HA HIS 22 HA HIS 22 -8.080 0.823 -1.514 179 HB2 HIS 22 HB2 HIS 22 -6.328 -0.058 -3.725 180 HB3 HIS 22 HB1 HIS 22 -7.260 -1.343 -2.951 181 HD2 HIS 22 HD2 HIS 22 -10.133 -0.081 -2.504 182 HE1 HIS 22 HE1 HIS 22 -9.935 1.422 -6.444 183 HE2 HIS 22 HE2 HIS 22 -11.486 0.903 -4.505 184 H VAL 23 HN VAL 23 -8.078 -1.786 -0.984 185 HA VAL 23 HA VAL 23 -5.725 -2.404 0.693 186 HB VAL 23 HB VAL 23 -6.812 -2.504 2.724 187 HG11 VAL 23 HG11 VAL 23 -8.169 -0.485 2.981 188 HG12 VAL 23 HG12 VAL 23 -8.433 -0.413 1.242 189 HG13 VAL 23 HG13 VAL 23 -6.815 -0.164 1.901 190 HG21 VAL 23 HG21 VAL 23 -9.297 -2.959 1.073 191 HG22 VAL 23 HG22 VAL 23 -9.408 -2.520 2.777 192 HG23 VAL 23 HG23 VAL 23 -8.583 -4.004 2.304 193 H PHE 24 HN PHE 24 -5.560 -4.610 1.293 194 HA PHE 24 HA PHE 24 -7.555 -6.565 0.441 195 HB2 PHE 24 HB2 PHE 24 -4.855 -6.676 -0.926 196 HB3 PHE 24 HB1 PHE 24 -6.257 -7.697 -1.233 197 HD1 PHE 24 HD2 PHE 24 -8.222 -6.815 -2.441 198 HD2 PHE 24 HD1 PHE 24 -4.705 -4.447 -1.807 199 HE1 PHE 24 HE2 PHE 24 -8.982 -5.224 -4.184 200 HE2 PHE 24 HE1 PHE 24 -5.458 -2.850 -3.550 201 HZ PHE 24 HZ PHE 24 -7.594 -3.245 -4.752 202 H CYS 25 HN CYS 25 -6.683 -8.840 0.985 203 HA CYS 25 HA CYS 25 -5.636 -8.923 3.582 204 HB2 CYS 25 HB2 CYS 25 -4.600 -11.230 2.336 205 HB3 CYS 25 HB1 CYS 25 -6.118 -11.099 3.221 206 H TYR 26 HN TYR 26 -3.762 -8.031 4.254 207 HA TYR 26 HA TYR 26 -1.614 -7.227 2.646 208 HB2 TYR 26 HB2 TYR 26 -1.927 -6.538 5.008 209 HB3 TYR 26 HB1 TYR 26 -1.467 -8.158 5.520 210 HD1 TYR 26 HD1 TYR 26 -0.088 -5.594 3.091 211 HD2 TYR 26 HD2 TYR 26 0.690 -8.298 6.344 212 HE1 TYR 26 HE1 TYR 26 2.298 -4.953 3.057 213 HE2 TYR 26 HE2 TYR 26 3.079 -7.653 6.301 214 HH TYR 26 HH TYR 26 4.595 -6.279 5.431 215 H ASP 27 HN ASP 27 -2.462 -10.428 3.552 216 HA ASP 27 HA ASP 27 0.232 -11.495 3.132 217 HB2 ASP 27 HB2 ASP 27 -1.419 -12.656 4.614 218 HB3 ASP 27 HB1 ASP 27 -2.435 -12.951 3.203 219 H CYS 28 HN CYS 28 -2.707 -10.964 1.313 220 HA CYS 28 HA CYS 28 -1.628 -12.326 -1.052 221 HB2 CYS 28 HB2 CYS 28 -3.748 -12.163 -1.930 222 HB3 CYS 28 HB1 CYS 28 -4.185 -11.910 -0.239 223 H ALA 29 HN ALA 29 -1.747 -9.156 0.328 224 HA ALA 29 HA ALA 29 -1.240 -7.720 -2.124 225 HB1 ALA 29 HB1 ALA 29 -2.107 -6.860 0.212 226 HB2 ALA 29 HB2 ALA 29 -1.073 -5.814 -0.758 227 HB3 ALA 29 HB3 ALA 29 -0.390 -6.725 0.589 228 H ILE 30 HN ILE 30 0.764 -9.219 0.374 229 HA ILE 30 HA ILE 30 3.212 -8.212 -0.888 230 HB ILE 30 HB ILE 30 4.359 -9.434 0.877 231 HG12 ILE 30 HG12 ILE 30 2.413 -10.413 2.559 232 HG13 ILE 30 HG11 ILE 30 1.803 -10.861 0.978 233 HG21 ILE 30 HG21 ILE 30 3.559 -7.303 1.544 234 HG22 ILE 30 HG22 ILE 30 3.127 -8.406 2.851 235 HG23 ILE 30 HG23 ILE 30 1.905 -7.890 1.692 236 HD11 ILE 30 HD11 ILE 30 3.966 -11.918 0.432 237 HD12 ILE 30 HD12 ILE 30 3.262 -12.632 1.884 238 HD13 ILE 30 HD13 ILE 30 4.579 -11.469 2.023 239 H LEU 31 HN LEU 31 1.309 -11.191 -0.740 240 HA LEU 31 HA LEU 31 3.332 -12.760 -2.133 241 HB2 LEU 31 HB2 LEU 31 0.445 -13.153 -1.442 242 HB3 LEU 31 HB1 LEU 31 1.170 -14.193 -2.662 243 HG LEU 31 HG LEU 31 2.592 -13.752 -0.058 244 HD11 LEU 31 HD11 LEU 31 0.068 -15.272 -0.507 245 HD12 LEU 31 HD12 LEU 31 0.664 -14.490 0.957 246 HD13 LEU 31 HD13 LEU 31 1.313 -16.055 0.467 247 HD21 LEU 31 HD21 LEU 31 2.402 -16.372 -1.466 248 HD22 LEU 31 HD22 LEU 31 3.789 -15.620 -0.679 249 HD23 LEU 31 HD23 LEU 31 3.296 -15.095 -2.289 250 H HIS 32 HN HIS 32 0.884 -10.475 -3.040 251 HA HIS 32 HA HIS 32 0.849 -11.326 -5.848 252 HB2 HIS 32 HB2 HIS 32 -0.362 -9.000 -4.341 253 HB3 HIS 32 HB1 HIS 32 -0.464 -9.134 -6.096 254 HD1 HIS 32 HD1 HIS 32 -3.148 -9.294 -5.268 255 HD2 HIS 32 HD2 HIS 32 -0.724 -12.641 -4.708 256 HE1 HIS 32 HE1 HIS 32 -4.708 -11.269 -4.973 257 HE2 HIS 32 HE2 HIS 32 -3.242 -13.310 -4.631 258 H GLU 33 HN GLU 33 2.331 -8.824 -3.849 259 HA GLU 33 HA GLU 33 3.506 -7.403 -6.087 260 HB2 GLU 33 HB2 GLU 33 3.714 -5.899 -4.424 261 HB3 GLU 33 HB1 GLU 33 3.360 -7.125 -3.214 262 HG2 GLU 33 HG2 GLU 33 5.712 -7.790 -3.139 263 HG3 GLU 33 HG1 GLU 33 6.099 -6.653 -4.438 264 H LYS 34 HN LYS 34 4.562 -10.038 -3.962 265 HA LYS 34 HA LYS 34 7.264 -9.987 -5.105 266 HB2 LYS 34 HB2 LYS 34 7.831 -11.572 -3.499 267 HB3 LYS 34 HB1 LYS 34 6.515 -10.720 -2.693 268 HG2 LYS 34 HG2 LYS 34 4.972 -12.493 -3.790 269 HG3 LYS 34 HG1 LYS 34 6.456 -13.412 -4.049 270 HD2 LYS 34 HD2 LYS 34 5.510 -12.366 -1.364 271 HD3 LYS 34 HD1 LYS 34 5.354 -14.035 -1.915 272 HE2 LYS 34 HE2 LYS 34 7.905 -13.963 -2.281 273 HE3 LYS 34 HE1 LYS 34 7.879 -12.498 -1.300 274 HZ1 LYS 34 HZ1 LYS 34 6.575 -14.975 -0.366 275 HZ2 LYS 34 HZ2 LYS 34 7.119 -13.647 0.545 276 HZ3 LYS 34 HZ3 LYS 34 8.237 -14.729 -0.135 277 H LYS 35 HN LYS 35 4.265 -11.747 -5.625 278 HA LYS 35 HA LYS 35 5.427 -13.905 -7.105 279 HB2 LYS 35 HB2 LYS 35 3.183 -14.113 -6.191 280 HB3 LYS 35 HB1 LYS 35 2.629 -12.736 -7.141 281 HG2 LYS 35 HG2 LYS 35 1.973 -14.933 -8.128 282 HG3 LYS 35 HG1 LYS 35 2.985 -13.984 -9.214 283 HD2 LYS 35 HD2 LYS 35 4.857 -15.339 -8.864 284 HD3 LYS 35 HD1 LYS 35 4.258 -15.929 -7.314 285 HE2 LYS 35 HE2 LYS 35 2.657 -16.543 -9.765 286 HE3 LYS 35 HE1 LYS 35 4.145 -17.452 -9.496 287 HZ1 LYS 35 HZ1 LYS 35 1.638 -17.574 -8.087 288 HZ2 LYS 35 HZ2 LYS 35 2.987 -17.468 -7.059 289 HZ3 LYS 35 HZ3 LYS 35 2.878 -18.726 -8.195 290 H GLY 36 HN GLY 36 4.932 -10.614 -7.847 291 HA2 GLY 36 HA2 GLY 36 6.087 -9.754 -9.873 292 HA3 GLY 36 HA1 GLY 36 5.484 -11.165 -10.743 293 H ASP 37 HN ASP 37 3.573 -9.370 -8.435 294 HA ASP 37 HA ASP 37 1.969 -8.192 -10.645 295 HB2 ASP 37 HB2 ASP 37 1.031 -10.350 -9.416 296 HB3 ASP 37 HB1 ASP 37 0.591 -9.177 -8.176 297 H LYS 38 HN LYS 38 3.740 -6.627 -9.616 298 HA LYS 38 HA LYS 38 3.071 -5.309 -7.142 299 HB2 LYS 38 HB2 LYS 38 4.577 -3.461 -8.334 300 HB3 LYS 38 HB1 LYS 38 5.292 -4.945 -7.708 301 HG2 LYS 38 HG2 LYS 38 5.487 -5.908 -9.827 302 HG3 LYS 38 HG1 LYS 38 4.235 -4.876 -10.520 303 HD2 LYS 38 HD2 LYS 38 6.689 -3.551 -9.446 304 HD3 LYS 38 HD1 LYS 38 6.825 -4.415 -10.978 305 HE2 LYS 38 HE2 LYS 38 5.280 -3.022 -12.052 306 HE3 LYS 38 HE1 LYS 38 4.547 -2.503 -10.534 307 HZ1 LYS 38 HZ1 LYS 38 6.232 -0.988 -11.846 308 HZ2 LYS 38 HZ2 LYS 38 7.371 -1.886 -10.962 309 HZ3 LYS 38 HZ3 LYS 38 6.175 -0.992 -10.151 310 H MET 39 HN MET 39 0.864 -5.608 -8.952 311 HA MET 39 HA MET 39 0.155 -2.745 -9.366 312 HB2 MET 39 HB2 MET 39 0.260 -4.849 -11.298 313 HB3 MET 39 HB1 MET 39 -1.422 -4.365 -11.082 314 HG2 MET 39 HG2 MET 39 -0.768 -1.996 -11.385 315 HG3 MET 39 HG1 MET 39 0.901 -2.503 -11.647 316 HE1 MET 39 HE1 MET 39 0.599 -0.965 -13.676 317 HE2 MET 39 HE2 MET 39 -1.153 -0.791 -13.719 318 HE3 MET 39 HE3 MET 39 -0.295 -1.357 -15.151 319 H CYS 40 HN CYS 40 -1.770 -2.120 -8.451 320 HA CYS 40 HA CYS 40 -3.011 -3.386 -6.371 321 HB2 CYS 40 HB2 CYS 40 -3.551 -1.138 -7.910 322 HB3 CYS 40 HB1 CYS 40 -5.016 -2.103 -8.056 323 HA PRO 41 HA PRO 41 -4.466 -7.103 -8.662 324 HB2 PRO 41 HB2 PRO 41 -5.653 -7.668 -5.990 325 HB3 PRO 41 HB1 PRO 41 -4.675 -8.715 -7.035 326 HG2 PRO 41 HG2 PRO 41 -3.682 -7.582 -4.826 327 HG3 PRO 41 HG1 PRO 41 -2.699 -7.860 -6.273 328 HD2 PRO 41 HD2 PRO 41 -3.797 -5.305 -5.208 329 HD3 PRO 41 HD1 PRO 41 -2.330 -5.596 -6.167 330 H GLY 42 HN GLY 42 -6.207 -4.660 -6.944 331 HA2 GLY 42 HA2 GLY 42 -8.830 -5.697 -7.875 332 HA3 GLY 42 HA1 GLY 42 -8.597 -4.380 -6.732 333 H CYS 43 HN CYS 43 -6.793 -2.763 -8.165 334 HA CYS 43 HA CYS 43 -8.555 -1.869 -10.398 335 HB2 CYS 43 HB2 CYS 43 -6.415 -0.158 -9.188 336 HB3 CYS 43 HB1 CYS 43 -7.946 0.324 -9.921 337 H SER 44 HN SER 44 -5.309 -2.870 -9.628 338 HA SER 44 HA SER 44 -3.574 -3.490 -11.083 339 HB2 SER 44 HB2 SER 44 -5.717 -3.897 -12.648 340 HB3 SER 44 HB1 SER 44 -5.026 -2.530 -13.513 341 HG SER 44 HG SER 44 -4.297 -5.002 -13.710 342 H ASP 45 HN ASP 45 -3.214 -1.222 -9.804 343 HA ASP 45 HA ASP 45 -2.329 0.757 -11.857 344 HB2 ASP 45 HB2 ASP 45 -3.908 1.071 -9.421 345 HB3 ASP 45 HB1 ASP 45 -2.485 2.113 -9.430 346 HA PRO 46 HA PRO 46 1.832 0.370 -10.505 347 HB2 PRO 46 HB2 PRO 46 2.448 3.041 -9.853 348 HB3 PRO 46 HB1 PRO 46 2.620 2.284 -11.444 349 HG2 PRO 46 HG2 PRO 46 0.477 4.038 -10.406 350 HG3 PRO 46 HG1 PRO 46 1.105 3.866 -12.053 351 HD2 PRO 46 HD2 PRO 46 -1.288 2.828 -11.313 352 HD3 PRO 46 HD1 PRO 46 -0.255 2.043 -12.529 353 H VAL 47 HN VAL 47 1.347 -0.798 -8.537 354 HA VAL 47 HA VAL 47 0.581 0.369 -6.063 355 HB VAL 47 HB VAL 47 2.339 -2.040 -6.593 356 HG11 VAL 47 HG11 VAL 47 0.816 -1.169 -4.123 357 HG12 VAL 47 HG12 VAL 47 2.570 -1.293 -4.279 358 HG13 VAL 47 HG13 VAL 47 1.575 -2.745 -4.338 359 HG21 VAL 47 HG21 VAL 47 -0.485 -2.300 -5.746 360 HG22 VAL 47 HG22 VAL 47 0.414 -3.221 -6.950 361 HG23 VAL 47 HG23 VAL 47 -0.250 -1.639 -7.363 362 H GLN 48 HN GLN 48 1.687 2.159 -5.316 363 HA GLN 48 HA GLN 48 4.509 2.564 -5.709 364 HB2 GLN 48 HB2 GLN 48 2.318 3.933 -4.255 365 HB3 GLN 48 HB1 GLN 48 3.937 4.182 -3.604 366 HG2 GLN 48 HG2 GLN 48 4.745 5.051 -5.667 367 HG3 GLN 48 HG1 GLN 48 3.314 4.503 -6.540 368 HE21 GLN 48 HE21 GLN 48 2.967 6.800 -7.215 369 HE22 GLN 48 HE22 GLN 48 2.282 7.902 -6.122 370 H ARG 49 HN ARG 49 2.733 2.083 -2.650 371 HA ARG 49 HA ARG 49 4.766 0.108 -1.839 372 HB2 ARG 49 HB2 ARG 49 4.504 1.858 0.404 373 HB3 ARG 49 HB1 ARG 49 5.964 1.444 -0.489 374 HG2 ARG 49 HG2 ARG 49 5.597 3.253 -2.055 375 HG3 ARG 49 HG1 ARG 49 4.016 3.598 -1.352 376 HD2 ARG 49 HD2 ARG 49 5.017 4.282 0.734 377 HD3 ARG 49 HD1 ARG 49 6.612 3.755 0.195 378 HE ARG 49 HE ARG 49 5.810 5.630 -1.704 379 HH11 ARG 49 HH21 ARG 49 6.197 5.478 1.718 380 HH12 ARG 49 HH22 ARG 49 6.607 7.153 1.880 381 HH21 ARG 49 HH11 ARG 49 6.343 7.819 -1.513 382 HH22 ARG 49 HH12 ARG 49 6.690 8.478 0.051 383 H ILE 50 HN ILE 50 3.734 -1.506 -0.777 384 HA ILE 50 HA ILE 50 0.958 -1.118 0.031 385 HB ILE 50 HB ILE 50 2.551 -3.571 0.692 386 HG12 ILE 50 HG12 ILE 50 1.432 -2.849 -2.026 387 HG13 ILE 50 HG11 ILE 50 3.137 -3.014 -1.629 388 HG21 ILE 50 HG21 ILE 50 0.514 -4.582 0.848 389 HG22 ILE 50 HG22 ILE 50 -0.160 -3.661 -0.493 390 HG23 ILE 50 HG23 ILE 50 -0.043 -2.930 1.107 391 HD11 ILE 50 HD11 ILE 50 2.717 -5.389 -0.981 392 HD12 ILE 50 HD12 ILE 50 2.383 -5.069 -2.682 393 HD13 ILE 50 HD13 ILE 50 1.054 -5.210 -1.536 394 H GLU 51 HN GLU 51 0.212 -1.176 2.124 395 HA GLU 51 HA GLU 51 2.217 -1.310 4.310 396 HB2 GLU 51 HB2 GLU 51 0.131 0.869 4.118 397 HB3 GLU 51 HB1 GLU 51 1.437 0.733 5.301 398 HG2 GLU 51 HG2 GLU 51 3.076 0.831 3.411 399 HG3 GLU 51 HG1 GLU 51 1.727 1.158 2.321 400 H GLN 52 HN GLN 52 1.419 -2.044 6.244 401 HA GLN 52 HA GLN 52 -1.144 -3.481 6.070 402 HB2 GLN 52 HB2 GLN 52 -0.402 -4.748 7.906 403 HB3 GLN 52 HB1 GLN 52 1.092 -4.398 7.036 404 HG2 GLN 52 HG2 GLN 52 1.208 -2.285 8.555 405 HG3 GLN 52 HG1 GLN 52 0.053 -3.150 9.571 406 HE21 GLN 52 HE21 GLN 52 0.775 -5.533 10.080 407 HE22 GLN 52 HE22 GLN 52 2.425 -5.762 10.402 408 H CYS 53 HN CYS 53 -2.921 -3.067 7.402 409 HA CYS 53 HA CYS 53 -2.716 -0.890 9.392 410 HB2 CYS 53 HB2 CYS 53 -3.748 -0.466 6.779 411 HB3 CYS 53 HB1 CYS 53 -5.124 -0.477 7.881 412 H THR 54 HN THR 54 -4.692 -0.806 10.776 413 HA THR 54 HA THR 54 -5.715 -3.518 11.225 414 HB THR 54 HB THR 54 -6.947 -1.484 12.878 415 HG1 THR 54 HG1 THR 54 -4.813 -0.560 12.089 416 HG21 THR 54 HG21 THR 54 -6.655 -3.869 13.463 417 HG22 THR 54 HG22 THR 54 -5.905 -2.814 14.661 418 HG23 THR 54 HG23 THR 54 -4.905 -3.644 13.469 419 H ARG 55 HN ARG 55 -8.133 -3.765 11.637 420 HA ARG 55 HA ARG 55 -9.603 -3.079 9.315 421 HB2 ARG 55 HB2 ARG 55 -11.597 -3.846 10.572 422 HB3 ARG 55 HB1 ARG 55 -10.244 -4.961 10.742 423 HG2 ARG 55 HG2 ARG 55 -9.702 -3.480 12.871 424 HG3 ARG 55 HG1 ARG 55 -11.419 -3.090 12.764 425 HD2 ARG 55 HD2 ARG 55 -11.468 -4.992 14.109 426 HD3 ARG 55 HD1 ARG 55 -11.700 -5.693 12.508 427 HE ARG 55 HE ARG 55 -8.933 -5.669 12.899 428 HH11 ARG 55 HH21 ARG 55 -11.741 -6.911 14.467 429 HH12 ARG 55 HH22 ARG 55 -10.926 -8.291 15.126 430 HH21 ARG 55 HH11 ARG 55 -7.852 -7.463 13.749 431 HH22 ARG 55 HH12 ARG 55 -8.724 -8.603 14.719 432 H GLY 56 HN GLY 56 -10.064 -1.738 12.611 433 HA2 GLY 56 HA2 GLY 56 -11.733 0.407 11.582 434 HA3 GLY 56 HA1 GLY 56 -11.133 0.269 13.235 435 H SER 57 HN SER 57 -8.850 0.087 10.606 436 HA SER 57 HA SER 57 -7.571 2.534 11.613 437 HB2 SER 57 HB2 SER 57 -6.710 0.753 9.319 438 HB3 SER 57 HB1 SER 57 -5.721 1.939 10.166 439 HG SER 57 HG SER 57 -5.733 0.673 11.955 440 H LEU 58 HN LEU 58 -9.775 1.672 9.163 441 HA LEU 58 HA LEU 58 -9.438 4.361 7.927 442 HB2 LEU 58 HB2 LEU 58 -10.320 2.154 6.143 443 HB3 LEU 58 HB1 LEU 58 -9.359 3.578 5.772 444 HG LEU 58 HG LEU 58 -8.325 1.175 7.311 445 HD11 LEU 58 HD11 LEU 58 -7.861 2.010 4.435 446 HD12 LEU 58 HD12 LEU 58 -8.879 0.665 4.946 447 HD13 LEU 58 HD13 LEU 58 -7.141 0.620 5.245 448 HD21 LEU 58 HD21 LEU 58 -7.368 3.844 7.019 449 HD22 LEU 58 HD22 LEU 58 -6.345 2.818 6.019 450 HD23 LEU 58 HD23 LEU 58 -6.524 2.474 7.738 451 H PHE 59 HN PHE 59 -11.463 4.837 6.528 452 HA PHE 59 HA PHE 59 -13.873 3.878 8.006 453 HB2 PHE 59 HB2 PHE 59 -13.590 6.500 6.526 454 HB3 PHE 59 HB1 PHE 59 -14.871 6.028 7.643 455 HD1 PHE 59 HD1 PHE 59 -11.224 6.760 7.410 456 HD2 PHE 59 HD2 PHE 59 -14.632 6.319 9.988 457 HE1 PHE 59 HE1 PHE 59 -9.902 7.652 9.309 458 HE2 PHE 59 HE2 PHE 59 -13.310 7.210 11.887 459 HZ PHE 59 HZ PHE 59 -10.945 7.876 11.548 460 H MET 60 HN MET 60 -15.219 2.659 6.781 461 HA MET 60 HA MET 60 -14.817 2.536 3.871 462 HB2 MET 60 HB2 MET 60 -16.778 1.083 5.676 463 HB3 MET 60 HB1 MET 60 -16.509 0.730 3.968 464 HG2 MET 60 HG2 MET 60 -14.016 0.813 5.495 465 HG3 MET 60 HG1 MET 60 -15.133 -0.414 6.095 466 HE1 MET 60 HE1 MET 60 -12.642 -2.410 4.091 467 HE2 MET 60 HE2 MET 60 -14.028 -2.873 5.076 468 HE3 MET 60 HE3 MET 60 -12.984 -1.554 5.601 469 H CYS 61 HN CYS 61 -16.327 3.197 2.330 470 HA CYS 61 HA CYS 61 -18.142 5.337 3.146 471 HB2 CYS 61 HB2 CYS 61 -16.952 5.556 1.037 472 HB3 CYS 61 HB1 CYS 61 -17.607 4.027 0.469 473 H SER 62 HN SER 62 -20.409 5.251 3.144 474 HA SER 62 HA SER 62 -21.651 2.572 2.643 475 HB2 SER 62 HB2 SER 62 -21.369 3.152 5.101 476 HB3 SER 62 HB1 SER 62 -22.485 4.487 4.833 477 HG SER 62 HG SER 62 -23.264 2.009 3.864 478 H ILE 63 HN ILE 63 -21.927 3.877 0.508 479 HA ILE 63 HA ILE 63 -24.520 5.372 0.659 480 HB ILE 63 HB ILE 63 -22.221 5.884 -1.254 481 HG12 ILE 63 HG12 ILE 63 -22.129 6.640 1.285 482 HG13 ILE 63 HG11 ILE 63 -21.637 7.742 0.006 483 HG21 ILE 63 HG21 ILE 63 -23.701 7.961 -1.721 484 HG22 ILE 63 HG22 ILE 63 -24.996 7.031 -0.967 485 HG23 ILE 63 HG23 ILE 63 -24.201 6.420 -2.418 486 HD11 ILE 63 HD11 ILE 63 -23.674 8.955 0.109 487 HD12 ILE 63 HD12 ILE 63 -23.252 8.660 1.794 488 HD13 ILE 63 HD13 ILE 63 -24.484 7.674 1.008 489 H VAL 64 HN VAL 64 -22.605 2.894 -0.792 490 HA VAL 64 HA VAL 64 -24.900 1.736 -2.108 491 HB VAL 64 HB VAL 64 -24.678 3.262 -3.873 492 HG11 VAL 64 HG11 VAL 64 -21.694 3.044 -3.396 493 HG12 VAL 64 HG12 VAL 64 -22.721 4.453 -3.127 494 HG13 VAL 64 HG13 VAL 64 -22.395 3.899 -4.770 495 HG21 VAL 64 HG21 VAL 64 -22.640 1.244 -4.799 496 HG22 VAL 64 HG22 VAL 64 -23.962 1.974 -5.708 497 HG23 VAL 64 HG23 VAL 64 -24.304 0.751 -4.486 498 H GLN 65 HN GLN 65 -24.486 -0.435 -2.531 499 HA GLN 65 HA GLN 65 -22.337 -1.760 -1.338 500 HB2 GLN 65 HB2 GLN 65 -23.549 -2.788 -3.902 501 HB3 GLN 65 HB1 GLN 65 -23.029 -3.703 -2.486 502 HG2 GLN 65 HG2 GLN 65 -25.483 -1.972 -2.800 503 HG3 GLN 65 HG1 GLN 65 -25.390 -3.666 -2.314 504 HE21 GLN 65 HE21 GLN 65 -24.210 -4.056 -0.148 505 HE22 GLN 65 HE22 GLN 65 -24.398 -2.883 1.064 506 H GLY 66 HN GLY 66 -20.233 -2.225 -1.948 507 HA2 GLY 66 HA2 GLY 66 -18.239 -2.076 -3.179 508 HA3 GLY 66 HA1 GLY 66 -19.245 -2.157 -4.627 509 H CYS 67 HN CYS 67 -18.087 0.101 -2.131 510 HA CYS 67 HA CYS 67 -18.794 2.404 -3.835 511 HB2 CYS 67 HB2 CYS 67 -18.198 1.968 -1.025 512 HB3 CYS 67 HB1 CYS 67 -17.290 3.328 -1.684 513 H LYS 68 HN LYS 68 -16.790 4.165 -3.490 514 HA LYS 68 HA LYS 68 -14.835 3.326 -5.386 515 HB2 LYS 68 HB2 LYS 68 -15.520 5.716 -4.811 516 HB3 LYS 68 HB1 LYS 68 -14.474 5.575 -3.397 517 HG2 LYS 68 HG2 LYS 68 -12.847 6.313 -4.804 518 HG3 LYS 68 HG1 LYS 68 -12.828 4.644 -5.378 519 HD2 LYS 68 HD2 LYS 68 -14.556 5.260 -7.079 520 HD3 LYS 68 HD1 LYS 68 -14.417 6.940 -6.558 521 HE2 LYS 68 HE2 LYS 68 -12.710 7.168 -8.010 522 HE3 LYS 68 HE1 LYS 68 -11.775 6.082 -6.984 523 HZ1 LYS 68 HZ1 LYS 68 -12.946 4.228 -8.225 524 HZ2 LYS 68 HZ2 LYS 68 -11.764 5.095 -9.084 525 HZ3 LYS 68 HZ3 LYS 68 -13.412 5.408 -9.351 526 H ARG 69 HN ARG 69 -14.352 4.047 -1.889 527 HA ARG 69 HA ARG 69 -12.829 1.691 -1.376 528 HB2 ARG 69 HB2 ARG 69 -10.577 2.907 -1.196 529 HB3 ARG 69 HB1 ARG 69 -11.125 2.491 -2.814 530 HG2 ARG 69 HG2 ARG 69 -11.852 4.728 -3.245 531 HG3 ARG 69 HG1 ARG 69 -11.682 5.179 -1.549 532 HD2 ARG 69 HD2 ARG 69 -9.482 5.628 -1.796 533 HD3 ARG 69 HD1 ARG 69 -9.197 4.112 -2.650 534 HE ARG 69 HE ARG 69 -9.175 5.389 -4.616 535 HH11 ARG 69 HH21 ARG 69 -11.209 6.803 -2.219 536 HH12 ARG 69 HH22 ARG 69 -11.662 8.152 -3.208 537 HH21 ARG 69 HH11 ARG 69 -9.755 7.141 -5.922 538 HH22 ARG 69 HH12 ARG 69 -10.840 8.342 -5.305 539 H THR 70 HN THR 70 -11.057 2.470 0.519 540 HA THR 70 HA THR 70 -12.793 3.579 2.633 541 HB THR 70 HB THR 70 -10.261 3.054 3.702 542 HG1 THR 70 HG1 THR 70 -10.153 0.789 2.780 543 HG21 THR 70 HG21 THR 70 -11.405 0.912 4.485 544 HG22 THR 70 HG22 THR 70 -12.786 1.406 3.506 545 HG23 THR 70 HG23 THR 70 -12.250 2.416 4.849 546 H TYR 71 HN TYR 71 -11.152 4.891 4.304 547 HA TYR 71 HA TYR 71 -9.457 6.797 2.867 548 HB2 TYR 71 HB2 TYR 71 -11.933 7.762 4.316 549 HB3 TYR 71 HB1 TYR 71 -10.737 8.771 3.502 550 HD1 TYR 71 HD1 TYR 71 -10.572 8.829 1.062 551 HD2 TYR 71 HD2 TYR 71 -13.514 6.394 3.029 552 HE1 TYR 71 HE1 TYR 71 -11.757 8.519 -1.093 553 HE2 TYR 71 HE2 TYR 71 -14.696 6.087 0.874 554 HH TYR 71 HH TYR 71 -14.818 6.716 -1.262 555 H LEU 72 HN LEU 72 -8.598 8.458 4.565 556 HA LEU 72 HA LEU 72 -8.090 6.928 7.071 557 HB2 LEU 72 HB2 LEU 72 -6.313 9.153 6.781 558 HB3 LEU 72 HB1 LEU 72 -5.931 7.434 6.759 559 HG LEU 72 HG LEU 72 -6.906 9.015 4.360 560 HD11 LEU 72 HD11 LEU 72 -4.194 8.345 5.426 561 HD12 LEU 72 HD12 LEU 72 -4.740 9.794 4.581 562 HD13 LEU 72 HD13 LEU 72 -4.432 8.311 3.679 563 HD21 LEU 72 HD21 LEU 72 -7.174 7.006 3.363 564 HD22 LEU 72 HD22 LEU 72 -6.856 6.228 4.912 565 HD23 LEU 72 HD23 LEU 72 -5.529 6.544 3.795 566 H SER 73 HN SER 73 -9.958 9.505 6.049 567 HA SER 73 HA SER 73 -10.296 10.387 8.822 568 HB2 SER 73 HB2 SER 73 -9.349 12.474 8.722 569 HB3 SER 73 HB1 SER 73 -8.301 11.674 7.555 570 HG SER 73 HG SER 73 -9.021 13.319 6.392 571 H GLN 74 HN GLN 74 -12.356 11.065 9.125 572 HA GLN 74 HA GLN 74 -14.428 10.722 7.341 573 HB2 GLN 74 HB2 GLN 74 -14.098 12.024 9.858 574 HB3 GLN 74 HB1 GLN 74 -15.043 13.093 8.821 575 HG2 GLN 74 HG2 GLN 74 -16.562 11.588 9.985 576 HG3 GLN 74 HG1 GLN 74 -16.538 11.162 8.273 577 HE21 GLN 74 HE21 GLN 74 -15.655 9.101 7.676 578 HE22 GLN 74 HE22 GLN 74 -15.148 7.954 8.820 579 H ARG 75 HN ARG 75 -12.199 13.422 7.494 580 HA ARG 75 HA ARG 75 -13.644 15.242 5.826 581 HB2 ARG 75 HB2 ARG 75 -11.637 15.783 7.257 582 HB3 ARG 75 HB1 ARG 75 -10.637 14.968 6.054 583 HG2 ARG 75 HG2 ARG 75 -12.157 16.653 4.492 584 HG3 ARG 75 HG1 ARG 75 -11.908 17.614 5.948 585 HD2 ARG 75 HD2 ARG 75 -9.433 16.965 5.766 586 HD3 ARG 75 HD1 ARG 75 -9.815 16.405 4.138 587 HE ARG 75 HE ARG 75 -10.722 19.131 4.644 588 HH11 ARG 75 HH21 ARG 75 -8.117 17.064 3.735 589 HH12 ARG 75 HH22 ARG 75 -7.283 18.289 2.836 590 HH21 ARG 75 HH11 ARG 75 -9.649 20.742 3.477 591 HH22 ARG 75 HH12 ARG 75 -8.151 20.371 2.691 592 H ASP 76 HN ASP 76 -11.465 12.570 5.075 593 HA ASP 76 HA ASP 76 -11.433 13.248 2.218 594 HB2 ASP 76 HB2 ASP 76 -10.265 11.035 3.896 595 HB3 ASP 76 HB1 ASP 76 -10.317 10.886 2.140 596 H LEU 77 HN LEU 77 -13.006 11.016 4.402 597 HA LEU 77 HA LEU 77 -14.367 9.546 2.301 598 HB2 LEU 77 HB2 LEU 77 -14.180 8.267 4.235 599 HB3 LEU 77 HB1 LEU 77 -14.456 9.633 5.299 600 HG LEU 77 HG LEU 77 -16.657 8.676 3.471 601 HD11 LEU 77 HD11 LEU 77 -17.417 7.154 5.265 602 HD12 LEU 77 HD12 LEU 77 -15.941 7.498 6.166 603 HD13 LEU 77 HD13 LEU 77 -15.853 6.667 4.613 604 HD21 LEU 77 HD21 LEU 77 -17.900 10.141 4.661 605 HD22 LEU 77 HD22 LEU 77 -16.436 10.678 5.478 606 HD23 LEU 77 HD23 LEU 77 -17.411 9.388 6.175 607 H GLN 78 HN GLN 78 -14.963 12.356 4.307 608 HA GLN 78 HA GLN 78 -17.749 12.540 3.534 609 HB2 GLN 78 HB2 GLN 78 -16.884 13.654 5.602 610 HB3 GLN 78 HB1 GLN 78 -15.946 14.741 4.576 611 HG2 GLN 78 HG2 GLN 78 -18.013 15.855 5.186 612 HG3 GLN 78 HG1 GLN 78 -18.094 15.444 3.474 613 HE21 GLN 78 HE21 GLN 78 -19.524 13.632 2.841 614 HE22 GLN 78 HE22 GLN 78 -20.724 13.068 3.901 615 H ALA 79 HN ALA 79 -14.660 13.644 2.430 616 HA ALA 79 HA ALA 79 -15.706 15.389 0.356 617 HB1 ALA 79 HB1 ALA 79 -13.382 15.583 1.291 618 HB2 ALA 79 HB2 ALA 79 -13.407 15.434 -0.467 619 HB3 ALA 79 HB3 ALA 79 -12.990 14.040 0.530 620 H HIS 80 HN HIS 80 -15.301 11.969 0.785 621 HA HIS 80 HA HIS 80 -15.106 11.366 -2.054 622 HB2 HIS 80 HB2 HIS 80 -14.363 9.596 -0.731 623 HB3 HIS 80 HB1 HIS 80 -15.706 9.745 0.395 624 HD1 HIS 80 HD1 HIS 80 -15.562 9.233 -3.392 625 HD2 HIS 80 HD2 HIS 80 -17.362 7.609 -0.010 626 HE1 HIS 80 HE1 HIS 80 -17.066 7.363 -4.209 627 H ILE 81 HN ILE 81 -17.737 11.224 0.319 628 HA ILE 81 HA ILE 81 -19.867 10.537 -1.374 629 HB ILE 81 HB ILE 81 -20.321 12.733 0.571 630 HG12 ILE 81 HG12 ILE 81 -18.659 11.569 1.764 631 HG13 ILE 81 HG11 ILE 81 -20.194 11.081 2.460 632 HG21 ILE 81 HG21 ILE 81 -22.222 11.642 -0.481 633 HG22 ILE 81 HG22 ILE 81 -22.201 11.248 1.238 634 HG23 ILE 81 HG23 ILE 81 -21.644 10.067 0.057 635 HD11 ILE 81 HD11 ILE 81 -19.878 9.198 0.507 636 HD12 ILE 81 HD12 ILE 81 -19.378 8.976 2.181 637 HD13 ILE 81 HD13 ILE 81 -18.206 9.492 0.974 638 H ASN 82 HN ASN 82 -18.746 13.812 -0.552 639 HA ASN 82 HA ASN 82 -20.541 15.086 -2.398 640 HB2 ASN 82 HB2 ASN 82 -17.943 16.316 -1.509 641 HB3 ASN 82 HB1 ASN 82 -19.504 17.095 -1.777 642 HD21 ASN 82 HD21 ASN 82 -17.619 16.733 0.720 643 HD22 ASN 82 HD22 ASN 82 -18.701 16.254 1.937 644 H HIS 83 HN HIS 83 -17.497 13.491 -2.812 645 HA HIS 83 HA HIS 83 -16.926 14.974 -5.262 646 HB2 HIS 83 HB2 HIS 83 -15.543 12.754 -3.813 647 HB3 HIS 83 HB1 HIS 83 -15.068 13.185 -5.451 648 HD1 HIS 83 HD1 HIS 83 -12.778 14.135 -4.592 649 HD2 HIS 83 HD2 HIS 83 -16.127 16.092 -3.055 650 HE1 HIS 83 HE1 HIS 83 -11.934 16.276 -3.528 651 HE2 HIS 83 HE2 HIS 83 -13.964 17.473 -2.589 652 H ARG 84 HN ARG 84 -18.426 11.870 -4.449 653 HA ARG 84 HA ARG 84 -18.712 11.415 -7.390 654 HB2 ARG 84 HB2 ARG 84 -18.537 9.109 -5.487 655 HB3 ARG 84 HB1 ARG 84 -18.194 9.152 -7.209 656 HG2 ARG 84 HG2 ARG 84 -16.484 10.684 -5.224 657 HG3 ARG 84 HG1 ARG 84 -16.176 9.003 -5.617 658 HD2 ARG 84 HD2 ARG 84 -16.413 11.158 -7.724 659 HD3 ARG 84 HD1 ARG 84 -14.878 10.660 -7.017 660 HE ARG 84 HE ARG 84 -15.929 8.275 -7.861 661 HH11 ARG 84 HH21 ARG 84 -15.531 11.385 -9.293 662 HH12 ARG 84 HH22 ARG 84 -15.347 10.768 -10.901 663 HH21 ARG 84 HH11 ARG 84 -15.692 7.451 -9.952 664 HH22 ARG 84 HH12 ARG 84 -15.438 8.541 -11.275 665 H HIS 85 HN HIS 85 -20.306 11.340 -4.295 666 HA HIS 85 HA HIS 85 -22.717 10.153 -5.576 667 HB2 HIS 85 HB2 HIS 85 -22.318 10.730 -2.640 668 HB3 HIS 85 HB1 HIS 85 -23.492 9.641 -3.381 669 HD1 HIS 85 HD1 HIS 85 -22.811 7.257 -3.212 670 HD2 HIS 85 HD2 HIS 85 -19.491 9.765 -3.482 671 HE1 HIS 85 HE1 HIS 85 -20.773 5.759 -3.118 672 H MET 86 HN MET 86 -21.704 12.848 -3.536 673 HA MET 86 HA MET 86 -22.769 14.902 -3.083 674 HB2 MET 86 HB2 MET 86 -21.927 14.812 -5.615 675 HB3 MET 86 HB1 MET 86 -23.655 14.962 -5.931 676 HG2 MET 86 HG2 MET 86 -23.509 16.874 -4.116 677 HG3 MET 86 HG1 MET 86 -21.805 16.888 -4.568 678 HE1 MET 86 HE1 MET 86 -25.061 19.100 -6.479 679 HE2 MET 86 HE2 MET 86 -24.398 18.989 -4.851 680 HE3 MET 86 HE3 MET 86 -25.417 17.691 -5.469 681 H ARG 87 HN ARG 87 -24.461 12.590 -2.633 682 HA ARG 87 HA ARG 87 -27.005 13.901 -2.431 683 HB2 ARG 87 HB2 ARG 87 -27.284 13.552 -4.779 684 HB3 ARG 87 HB1 ARG 87 -26.643 11.911 -4.681 685 HG2 ARG 87 HG2 ARG 87 -28.581 11.077 -3.649 686 HG3 ARG 87 HG1 ARG 87 -29.100 12.677 -3.118 687 HD2 ARG 87 HD2 ARG 87 -30.412 11.752 -5.070 688 HD3 ARG 87 HD1 ARG 87 -29.669 13.323 -5.370 689 HE ARG 87 HE ARG 87 -28.347 12.296 -7.026 690 HH11 ARG 87 HH21 ARG 87 -29.606 10.003 -4.780 691 HH12 ARG 87 HH22 ARG 87 -29.003 8.628 -5.643 692 HH21 ARG 87 HH11 ARG 87 -27.550 10.514 -8.163 693 HH22 ARG 87 HH12 ARG 87 -27.838 8.917 -7.558 694 H ALA 88 HN ALA 88 -28.561 12.545 -1.304 695 HA ALA 88 HA ALA 88 -27.309 10.600 0.436 696 HB1 ALA 88 HB1 ALA 88 -29.320 10.594 1.606 697 HB2 ALA 88 HB2 ALA 88 -30.287 10.797 0.146 698 HB3 ALA 88 HB3 ALA 88 -29.404 12.169 0.816 699 H GLY 89 HN GLY 89 -27.446 8.355 0.361 700 HA2 GLY 89 HA2 GLY 89 -28.238 7.203 -2.231 701 HA3 GLY 89 HA1 GLY 89 -27.414 6.347 -0.926
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