NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550654 | 2lql | 18318 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 11 H TYR 11 0.458 13.339 2.392 2 HA TYR 11 HA TYR 11 1.821 10.821 1.512 3 HB2 TYR 11 HB2 TYR 11 -1.051 11.164 2.379 4 HB3 TYR 11 HB3 TYR 11 -0.180 9.661 2.086 5 HD1 TYR 11 HD1 TYR 11 1.737 9.005 3.612 6 HD2 TYR 11 HD2 TYR 11 -0.963 12.232 4.514 7 HE1 TYR 11 HE1 TYR 11 2.401 8.884 6.009 8 HE2 TYR 11 HE2 TYR 11 -0.331 12.088 6.928 9 HH TYR 11 HH TYR 11 2.158 9.803 8.111 10 H CYS 12 H CYS 12 0.985 9.667 -0.334 11 HA CYS 12 HA CYS 12 0.318 11.688 -2.434 12 HB2 CYS 12 2HB CYS 12 1.807 9.065 -2.612 13 HB3 CYS 12 3HB CYS 12 1.529 10.196 -3.945 14 H GLY 13 H GLY 13 -0.954 11.253 -4.318 15 HA2 GLY 13 HA2 GLY 13 -3.423 9.963 -3.827 16 HA3 GLY 13 HA3 GLY 13 -2.831 10.497 -5.401 17 H ARG 14 H ARG 14 -0.548 8.648 -5.459 18 HA ARG 14 HA ARG 14 -1.879 6.110 -6.090 19 HB2 ARG 14 HB2 ARG 14 0.016 5.419 -7.163 20 HB3 ARG 14 HB3 ARG 14 0.007 7.146 -7.481 21 HG2 ARG 14 HG2 ARG 14 1.729 5.669 -5.440 22 HG3 ARG 14 HG3 ARG 14 2.262 6.182 -7.023 23 HD2 ARG 14 HD2 ARG 14 1.303 8.138 -4.907 24 HD3 ARG 14 HD3 ARG 14 2.960 7.592 -4.999 25 HE ARG 14 HE ARG 14 1.543 9.314 -6.973 26 HH11 ARG 14 HH11 ARG 14 4.597 7.704 -6.152 27 HH12 ARG 14 HH12 ARG 14 5.517 8.812 -7.132 28 HH21 ARG 14 HH21 ARG 14 2.782 10.313 -8.573 29 HH22 ARG 14 HH22 ARG 14 4.510 10.010 -8.607 30 H GLU 15 H GLU 15 -0.792 7.302 -3.218 31 HA GLU 15 HA GLU 15 0.220 4.766 -2.096 32 HB2 GLU 15 HB2 GLU 15 1.248 7.013 -1.553 33 HB3 GLU 15 HB3 GLU 15 -0.275 7.461 -0.772 34 HG2 GLU 15 HG2 GLU 15 -0.026 5.541 0.777 35 HG3 GLU 15 HG3 GLU 15 1.579 5.261 0.098 36 H LEU 16 H LEU 16 -2.448 7.070 -1.427 37 HA LEU 16 HA LEU 16 -3.677 5.378 0.506 38 HB2 LEU 16 HB2 LEU 16 -4.540 7.829 -1.047 39 HB3 LEU 16 HB3 LEU 16 -5.737 6.952 -0.121 40 HG LEU 16 HG LEU 16 -4.830 8.869 1.089 41 HD11 LEU 16 HD11 LEU 16 -4.122 6.238 2.454 42 HD12 LEU 16 HD12 LEU 16 -5.756 6.941 2.323 43 HD13 LEU 16 HD13 LEU 16 -4.491 7.782 3.232 44 HD21 LEU 16 HD21 LEU 16 -2.478 8.810 0.300 45 HD22 LEU 16 HD22 LEU 16 -2.198 7.352 1.287 46 HD23 LEU 16 HD23 LEU 16 -2.615 8.885 2.064 47 H GLU 17 H GLU 17 -4.192 5.518 -2.988 48 HA GLU 17 HA GLU 17 -6.516 3.836 -3.077 49 HB2 GLU 17 HB2 GLU 17 -5.732 5.270 -4.935 50 HB3 GLU 17 HB3 GLU 17 -4.289 4.265 -5.120 51 HG2 GLU 17 HG2 GLU 17 -5.713 2.318 -5.713 52 HG3 GLU 17 HG3 GLU 17 -7.162 3.302 -5.461 53 H GLN 18 H GLN 18 -3.002 3.032 -3.219 54 HA GLN 18 HA GLN 18 -3.602 0.209 -3.633 55 HB2 GLN 18 HB2 GLN 18 -1.692 1.486 -4.689 56 HB3 GLN 18 HB3 GLN 18 -0.912 1.518 -3.107 57 HG2 GLN 18 HG2 GLN 18 -0.026 -0.295 -4.488 58 HG3 GLN 18 HG3 GLN 18 -0.853 -0.967 -3.083 59 HE21 GLN 18 HE21 GLN 18 -1.597 -0.088 -6.577 60 HE22 GLN 18 HE22 GLN 18 -2.556 -1.549 -6.801 61 H TYR 19 H TYR 19 -2.465 2.190 -0.860 62 HA TYR 19 HA TYR 19 -2.309 0.149 1.138 63 HB2 TYR 19 HB2 TYR 19 -1.731 2.415 1.704 64 HB3 TYR 19 HB3 TYR 19 -3.277 3.034 1.137 65 HD1 TYR 19 HD1 TYR 19 -1.756 0.864 3.770 66 HD2 TYR 19 HD2 TYR 19 -5.167 3.213 2.598 67 HE1 TYR 19 HE1 TYR 19 -2.784 0.448 5.987 68 HE2 TYR 19 HE2 TYR 19 -6.207 2.785 4.805 69 HH TYR 19 HH TYR 19 -6.132 1.476 6.665 70 H GLY 20 H GLY 20 -5.138 1.969 -0.110 71 HA2 GLY 20 HA2 GLY 20 -7.181 0.772 1.346 72 HA3 GLY 20 HA3 GLY 20 -7.342 1.420 -0.293 73 H GLN 21 H GLN 21 -5.824 -0.406 -1.809 74 HA GLN 21 HA GLN 21 -7.599 -2.693 -1.949 75 HB2 GLN 21 HB2 GLN 21 -4.965 -2.011 -3.330 76 HB3 GLN 21 HB3 GLN 21 -5.775 -3.553 -3.573 77 HG2 GLN 21 HG2 GLN 21 -6.825 -0.804 -4.311 78 HG3 GLN 21 HG3 GLN 21 -6.384 -2.121 -5.391 79 HE21 GLN 21 HE21 GLN 21 -8.992 -0.661 -3.701 80 HE22 GLN 21 HE22 GLN 21 -10.130 -1.995 -3.876 81 H CYS 22 H CYS 22 -4.280 -2.347 -0.595 82 HA CYS 22 HA CYS 22 -4.033 -5.184 -0.187 83 HB2 CYS 22 2HB CYS 22 -2.541 -2.889 1.107 84 HB3 CYS 22 3HB CYS 22 -2.107 -4.603 1.204 85 H VAL 23 H VAL 23 -5.411 -2.623 1.914 86 HA VAL 23 HA VAL 23 -5.985 -4.552 4.080 87 HB VAL 23 HB VAL 23 -6.917 -1.680 3.568 88 HG11 VAL 23 HG11 VAL 23 -8.549 -2.722 5.062 89 HG12 VAL 23 HG12 VAL 23 -7.247 -3.384 6.078 90 HG13 VAL 23 HG13 VAL 23 -7.530 -1.628 5.984 91 HG21 VAL 23 HG21 VAL 23 -4.856 -2.754 5.532 92 HG22 VAL 23 HG22 VAL 23 -4.473 -1.871 4.030 93 HG23 VAL 23 HG23 VAL 23 -5.339 -1.065 5.337 94 H ALA 24 H ALA 24 -7.867 -3.154 1.357 95 HA ALA 24 HA ALA 24 -10.386 -4.140 2.269 96 HB1 ALA 24 HB1 ALA 24 -11.120 -3.733 -0.068 97 HB2 ALA 24 HB2 ALA 24 -10.228 -2.362 0.602 98 HB3 ALA 24 HB3 ALA 24 -9.434 -3.468 -0.549 99 H ALA 25 H ALA 25 -7.831 -5.728 0.315 100 HA ALA 25 HA ALA 25 -9.376 -7.975 -0.492 101 HB1 ALA 25 HB1 ALA 25 -7.148 -9.046 -0.793 102 HB2 ALA 25 HB2 ALA 25 -7.192 -7.393 -1.446 103 HB3 ALA 25 HB3 ALA 25 -6.387 -7.713 0.102 104 H LYS 26 H LYS 26 -7.142 -7.704 2.280 105 HA LYS 26 HA LYS 26 -8.863 -9.205 4.085 106 HB2 LYS 26 HB2 LYS 26 -6.042 -10.174 3.472 107 HB3 LYS 26 HB3 LYS 26 -7.046 -10.743 4.804 108 HG2 LYS 26 HG2 LYS 26 -8.767 -11.504 3.148 109 HG3 LYS 26 HG3 LYS 26 -7.621 -11.183 1.844 110 HD2 LYS 26 HD2 LYS 26 -6.765 -13.007 4.105 111 HD3 LYS 26 HD3 LYS 26 -7.955 -13.577 2.948 112 HE2 LYS 26 HE2 LYS 26 -5.911 -14.346 2.134 113 HE3 LYS 26 HE3 LYS 26 -6.388 -13.028 1.059 114 HZ1 LYS 26 HZ1 LYS 26 -4.022 -13.020 1.749 115 HZ2 LYS 26 HZ2 LYS 26 -4.462 -12.754 3.304 116 HZ3 LYS 26 HZ3 LYS 26 -4.771 -11.612 2.157 117 HA PRO 27 HA PRO 27 -7.002 -6.176 6.825 118 HB2 PRO 27 HB2 PRO 27 -7.050 -8.406 8.877 119 HB3 PRO 27 HB3 PRO 27 -7.503 -6.682 9.077 120 HG2 PRO 27 HG2 PRO 27 -9.446 -8.517 8.697 121 HG3 PRO 27 HG3 PRO 27 -9.499 -6.983 7.774 122 HD2 PRO 27 HD2 PRO 27 -8.536 -9.703 6.852 123 HD3 PRO 27 HD3 PRO 27 -9.573 -8.517 6.005 124 H GLU 28 H GLU 28 -5.420 -9.438 6.958 125 HA GLU 28 HA GLU 28 -2.807 -8.205 7.600 126 HB2 GLU 28 HB2 GLU 28 -3.727 -10.390 8.563 127 HB3 GLU 28 HB3 GLU 28 -3.329 -11.118 7.006 128 HG2 GLU 28 HG2 GLU 28 -0.936 -10.443 7.370 129 HG3 GLU 28 HG3 GLU 28 -1.397 -9.690 8.896 130 H SER 29 H SER 29 -4.501 -8.541 4.701 131 HA SER 29 HA SER 29 -2.223 -9.127 2.988 132 HB2 SER 29 HB2 SER 29 -5.034 -8.251 2.479 133 HB3 SER 29 HB3 SER 29 -3.820 -7.945 1.251 134 HG SER 29 HG SER 29 -3.829 -9.910 0.742 135 H TRP 30 H TRP 30 -3.059 -6.322 4.791 136 HA TRP 30 HA TRP 30 -1.557 -4.391 3.303 137 HB2 TRP 30 HB2 TRP 30 -3.016 -3.869 5.178 138 HB3 TRP 30 HB3 TRP 30 -1.982 -4.760 6.277 139 HD1 TRP 30 HD1 TRP 30 -1.363 -2.916 7.859 140 HE1 TRP 30 HE1 TRP 30 -0.059 -0.731 7.769 141 HE3 TRP 30 HE3 TRP 30 -0.846 -2.456 2.750 142 HZ2 TRP 30 HZ2 TRP 30 1.028 1.026 5.770 143 HZ3 TRP 30 HZ3 TRP 30 0.345 -0.514 1.803 144 HH2 TRP 30 HH2 TRP 30 1.286 1.240 3.295 145 H GLN 31 H GLN 31 -0.461 -7.172 5.189 146 HA GLN 31 HA GLN 31 2.349 -6.451 4.527 147 HB2 GLN 31 HB2 GLN 31 1.746 -7.381 6.776 148 HB3 GLN 31 HB3 GLN 31 1.369 -8.915 6.009 149 HG2 GLN 31 HG2 GLN 31 4.071 -7.509 5.666 150 HG3 GLN 31 HG3 GLN 31 3.722 -8.507 7.066 151 HE21 GLN 31 HE21 GLN 31 5.869 -9.093 5.334 152 HE22 GLN 31 HE22 GLN 31 5.505 -10.687 4.686 153 H ARG 32 H ARG 32 -0.133 -8.919 3.779 154 HA ARG 32 HA ARG 32 1.724 -10.380 2.166 155 HB2 ARG 32 HB2 ARG 32 -0.168 -11.179 3.716 156 HB3 ARG 32 HB3 ARG 32 -1.259 -10.904 2.364 157 HG2 ARG 32 HG2 ARG 32 -0.631 -13.239 2.626 158 HG3 ARG 32 HG3 ARG 32 -0.134 -12.615 1.047 159 HD2 ARG 32 HD2 ARG 32 2.149 -12.541 1.672 160 HD3 ARG 32 HD3 ARG 32 1.765 -12.766 3.395 161 HE ARG 32 HE ARG 32 0.806 -15.023 1.912 162 HH11 ARG 32 HH11 ARG 32 3.911 -13.603 2.859 163 HH12 ARG 32 HH12 ARG 32 4.634 -15.204 3.022 164 HH21 ARG 32 HH21 ARG 32 1.890 -17.022 2.312 165 HH22 ARG 32 HH22 ARG 32 3.622 -16.942 2.634 166 H ASP 33 H ASP 33 -0.788 -8.144 1.029 167 HA ASP 33 HA ASP 33 -0.746 -9.263 -1.707 168 HB2 ASP 33 HB2 ASP 33 -2.396 -7.240 -0.225 169 HB3 ASP 33 HB3 ASP 33 -2.230 -6.983 -1.939 170 H CYS 34 H CYS 34 1.020 -6.758 -0.075 171 HA CYS 34 HA CYS 34 2.290 -6.027 -2.630 172 HB2 CYS 34 2HB CYS 34 1.966 -3.599 -2.149 173 HB3 CYS 34 3HB CYS 34 0.527 -4.474 -2.624 174 H HIS 35 H HIS 35 4.344 -6.636 -2.151 175 HA HIS 35 HA HIS 35 5.704 -5.461 0.234 176 HB2 HIS 35 2HB HIS 35 6.586 -7.463 -1.873 177 HB3 HIS 35 3HB HIS 35 7.710 -6.674 -0.774 178 HD1 HIS 35 1HD HIS 35 8.335 -8.291 1.081 179 HD2 HIS 35 2HD HIS 35 4.292 -8.521 -0.090 180 HE1 HIS 35 1HE HIS 35 7.242 -10.047 2.570 181 H TYR 36 H TYR 36 6.339 -5.612 -3.278 182 HA TYR 36 HA TYR 36 8.298 -3.545 -3.234 183 HB2 TYR 36 HB2 TYR 36 6.680 -4.564 -5.602 184 HB3 TYR 36 HB3 TYR 36 8.204 -3.700 -5.671 185 HD1 TYR 36 HD2 TYR 36 6.571 -6.914 -4.821 186 HD2 TYR 36 HD1 TYR 36 10.324 -4.865 -5.397 187 HE1 TYR 36 HE2 TYR 36 7.750 -9.089 -4.810 188 HE2 TYR 36 HE1 TYR 36 11.500 -7.070 -5.473 189 HH TYR 36 HH TYR 36 9.715 -10.151 -5.016 190 H LEU 37 H LEU 37 4.844 -3.536 -4.200 191 HA LEU 37 HA LEU 37 4.798 -0.728 -4.887 192 HB2 LEU 37 HB2 LEU 37 2.697 -2.854 -4.446 193 HB3 LEU 37 HB3 LEU 37 2.234 -1.159 -4.492 194 HG LEU 37 HG LEU 37 3.175 -0.864 -6.720 195 HD11 LEU 37 HD11 LEU 37 3.834 -2.821 -8.096 196 HD12 LEU 37 HD12 LEU 37 3.790 -3.852 -6.654 197 HD13 LEU 37 HD13 LEU 37 4.975 -2.528 -6.788 198 HD21 LEU 37 HD21 LEU 37 1.517 -2.233 -7.931 199 HD22 LEU 37 HD22 LEU 37 0.830 -1.542 -6.459 200 HD23 LEU 37 HD23 LEU 37 1.301 -3.257 -6.497 201 H LYS 38 H LYS 38 4.241 -2.452 -1.800 202 HA LYS 38 HA LYS 38 3.218 -0.163 -0.351 203 HB2 LYS 38 HB2 LYS 38 2.957 -2.452 0.424 204 HB3 LYS 38 HB3 LYS 38 4.709 -2.621 0.647 205 HG2 LYS 38 HG2 LYS 38 4.647 -0.866 2.400 206 HG3 LYS 38 HG3 LYS 38 2.917 -0.637 2.112 207 HD2 LYS 38 HD2 LYS 38 2.522 -3.015 2.755 208 HD3 LYS 38 HD3 LYS 38 4.254 -3.200 3.104 209 HE2 LYS 38 HE2 LYS 38 4.103 -1.449 4.849 210 HE3 LYS 38 HE3 LYS 38 2.407 -1.182 4.437 211 HZ1 LYS 38 HZ1 LYS 38 3.561 -3.638 5.586 212 HZ2 LYS 38 HZ2 LYS 38 1.993 -3.517 5.064 213 HZ3 LYS 38 HZ3 LYS 38 2.531 -2.606 6.343 214 H MET 39 H MET 39 6.493 -1.284 -1.095 215 HA MET 39 HA MET 39 7.764 0.815 0.469 216 HB2 MET 39 HB2 MET 39 8.793 -1.368 0.106 217 HB3 MET 39 HB3 MET 39 8.942 -1.035 -1.624 218 HG2 MET 39 HG2 MET 39 10.533 0.722 -1.221 219 HG3 MET 39 HG3 MET 39 10.099 0.829 0.485 220 HE1 MET 39 HE1 MET 39 13.893 -0.360 0.311 221 HE2 MET 39 HE2 MET 39 13.082 0.514 -1.005 222 HE3 MET 39 HE3 MET 39 12.807 1.000 0.682 223 H SER 40 H SER 40 7.021 0.465 -3.114 224 HA SER 40 HA SER 40 8.370 2.904 -3.791 225 HB2 SER 40 HB2 SER 40 7.330 2.743 -5.944 226 HB3 SER 40 HB3 SER 40 7.784 1.124 -5.419 227 HG SER 40 HG SER 40 5.743 1.030 -6.226 228 H ILE 41 H ILE 41 4.957 2.332 -2.784 229 HA ILE 41 HA ILE 41 4.324 5.163 -3.033 230 HB ILE 41 HB ILE 41 2.353 4.744 -1.875 231 HG12 ILE 41 HG12 ILE 41 3.482 2.052 -1.071 232 HG13 ILE 41 HG13 ILE 41 3.039 3.373 -0.014 233 HG21 ILE 41 HG21 ILE 41 2.537 4.050 -4.239 234 HG22 ILE 41 HG22 ILE 41 2.843 2.391 -3.736 235 HG23 ILE 41 HG23 ILE 41 1.295 3.151 -3.364 236 HD11 ILE 41 HD11 ILE 41 1.136 1.613 -1.600 237 HD12 ILE 41 HD12 ILE 41 1.391 1.631 0.150 238 HD13 ILE 41 HD13 ILE 41 0.641 3.029 -0.635 239 H ALA 42 H ALA 42 5.778 3.243 -0.410 240 HA ALA 42 HA ALA 42 5.709 5.343 1.526 241 HB1 ALA 42 HB1 ALA 42 7.388 4.077 2.714 242 HB2 ALA 42 HB2 ALA 42 6.179 2.961 2.087 243 HB3 ALA 42 HB3 ALA 42 7.758 3.104 1.289 244 H GLN 43 H GLN 43 8.093 4.630 -1.107 245 HA GLN 43 HA GLN 43 9.960 6.689 -0.440 246 HB2 GLN 43 HB2 GLN 43 9.078 5.942 -3.263 247 HB3 GLN 43 HB3 GLN 43 10.560 6.755 -2.831 248 HG2 GLN 43 HG2 GLN 43 9.885 3.857 -2.200 249 HG3 GLN 43 HG3 GLN 43 10.852 4.417 -3.546 250 HE21 GLN 43 HE21 GLN 43 12.203 2.636 -2.352 251 HE22 GLN 43 HE22 GLN 43 13.358 3.276 -1.187 252 H CYS 44 H CYS 44 6.793 6.988 -2.165 253 HA CYS 44 HA CYS 44 7.209 9.706 -2.921 254 HB2 CYS 44 2HB CYS 44 5.517 8.145 -3.835 255 HB3 CYS 44 3HB CYS 44 4.535 8.357 -2.379 256 H THR 45 H THR 45 5.833 8.353 0.106 257 HA THR 45 HA THR 45 5.737 11.069 1.275 258 HB THR 45 HB THR 45 3.875 9.483 1.570 259 HG1 THR 45 HG1 THR 45 4.001 11.206 2.821 260 HG21 THR 45 HG21 THR 45 3.960 7.906 3.393 261 HG22 THR 45 HG22 THR 45 5.718 8.126 3.574 262 HG23 THR 45 HG23 THR 45 5.035 7.409 2.085 263 H SER 46 H SER 46 8.242 8.960 0.851 264 HA SER 46 HA SER 46 9.631 9.790 3.359 265 HB2 SER 46 HB2 SER 46 10.511 7.683 1.407 266 HB3 SER 46 HB3 SER 46 11.259 8.120 2.954 267 HG SER 46 HG SER 46 8.690 7.028 2.510 268 H SER 47 H SER 47 9.966 10.025 -0.152 269 HA SER 47 HA SER 47 12.226 11.975 0.147 270 HB2 SER 47 HB2 SER 47 11.698 10.055 -2.145 271 HB3 SER 47 HB3 SER 47 13.124 11.077 -1.921 272 HG SER 47 HG SER 47 13.100 8.720 -1.365 273 H HIS 48 H HIS 48 9.072 11.425 -1.193 274 HA HIS 48 HA HIS 48 7.726 12.438 -2.613 275 HB2 HIS 48 2HB HIS 48 8.906 14.529 -1.165 276 HB3 HIS 48 3HB HIS 48 8.939 15.079 -2.826 277 HD1 HIS 48 1HD HIS 48 6.043 13.038 -1.194 278 HD2 HIS 48 2HD HIS 48 7.008 16.864 -2.659 279 HE1 HIS 48 1HE HIS 48 3.892 14.425 -1.084 280 HA PRO 49 HA PRO 49 9.049 12.106 -6.702 281 HB2 PRO 49 HB2 PRO 49 7.261 14.355 -7.573 282 HB3 PRO 49 HB3 PRO 49 7.351 12.677 -8.192 283 HG2 PRO 49 HG2 PRO 49 5.339 13.427 -6.537 284 HG3 PRO 49 HG3 PRO 49 6.150 11.845 -6.297 285 HD2 PRO 49 HD2 PRO 49 6.676 14.462 -4.849 286 HD3 PRO 49 HD3 PRO 49 6.406 12.829 -4.169 287 H ILE 50 H ILE 50 10.607 12.843 -8.166 288 HA ILE 50 HA ILE 50 12.114 15.203 -7.415 289 HB ILE 50 HB ILE 50 13.701 14.547 -9.135 290 HG12 ILE 50 HG12 ILE 50 11.796 12.283 -9.886 291 HG13 ILE 50 HG13 ILE 50 12.016 13.746 -10.841 292 HG21 ILE 50 HG21 ILE 50 13.673 13.494 -6.869 293 HG22 ILE 50 HG22 ILE 50 12.783 12.118 -7.556 294 HG23 ILE 50 HG23 ILE 50 14.421 12.497 -8.116 295 HD11 ILE 50 HD11 ILE 50 13.347 11.959 -11.784 296 HD12 ILE 50 HD12 ILE 50 14.421 13.213 -11.133 297 HD13 ILE 50 HD13 ILE 50 14.177 11.688 -10.247 298 H ILE 51 H ILE 51 9.366 15.537 -8.832 299 HA ILE 51 HA ILE 51 9.988 16.478 -11.453 300 HB ILE 51 HB ILE 51 7.623 16.881 -11.737 301 HG12 ILE 51 HG12 ILE 51 7.339 16.316 -8.759 302 HG13 ILE 51 HG13 ILE 51 7.030 17.843 -9.578 303 HG21 ILE 51 HG21 ILE 51 8.078 14.251 -10.266 304 HG22 ILE 51 HG22 ILE 51 6.912 14.586 -11.559 305 HG23 ILE 51 HG23 ILE 51 8.633 14.595 -11.917 306 HD11 ILE 51 HD11 ILE 51 5.418 15.287 -9.898 307 HD12 ILE 51 HD12 ILE 51 4.917 16.801 -9.131 308 HD13 ILE 51 HD13 ILE 51 5.191 16.755 -10.883 309 H ARG 52 H ARG 52 9.739 18.393 -12.485 310 HA ARG 52 HA ARG 52 10.861 20.622 -11.183 311 HB2 ARG 52 HB2 ARG 52 10.651 21.791 -13.233 312 HB3 ARG 52 HB3 ARG 52 11.077 20.133 -13.578 313 HG2 ARG 52 HG2 ARG 52 8.852 19.652 -14.420 314 HG3 ARG 52 HG3 ARG 52 8.230 21.195 -13.813 315 HD2 ARG 52 HD2 ARG 52 8.581 21.364 -16.198 316 HD3 ARG 52 HD3 ARG 52 9.674 22.446 -15.317 317 HE ARG 52 HE ARG 52 10.965 19.920 -15.871 318 HH11 ARG 52 HH11 ARG 52 10.213 22.993 -17.506 319 HH12 ARG 52 HH12 ARG 52 11.459 22.634 -18.707 320 HH21 ARG 52 HH21 ARG 52 12.498 19.727 -17.299 321 HH22 ARG 52 HH22 ARG 52 12.679 20.932 -18.603 322 H GLN 53 H GLN 53 7.451 19.976 -11.788 323 HA GLN 53 HA GLN 53 6.340 22.486 -11.194 324 HB2 GLN 53 HB2 GLN 53 5.263 19.654 -10.762 325 HB3 GLN 53 HB3 GLN 53 4.317 21.112 -10.513 326 HG2 GLN 53 HG2 GLN 53 3.682 20.429 -12.622 327 HG3 GLN 53 HG3 GLN 53 4.784 21.763 -12.924 328 HE21 GLN 53 HE21 GLN 53 4.356 20.433 -15.072 329 HE22 GLN 53 HE22 GLN 53 5.640 19.293 -15.470 330 H ILE 54 H ILE 54 7.295 19.917 -8.878 331 HA ILE 54 HA ILE 54 6.265 21.415 -6.559 332 HB ILE 54 HB ILE 54 8.010 18.929 -6.789 333 HG12 ILE 54 HG12 ILE 54 5.063 19.269 -6.042 334 HG13 ILE 54 HG13 ILE 54 5.652 18.683 -7.593 335 HG21 ILE 54 HG21 ILE 54 6.716 20.103 -4.284 336 HG22 ILE 54 HG22 ILE 54 7.648 18.599 -4.381 337 HG23 ILE 54 HG23 ILE 54 8.457 20.131 -4.641 338 HD11 ILE 54 HD11 ILE 54 5.860 17.270 -4.919 339 HD12 ILE 54 HD12 ILE 54 4.984 16.770 -6.371 340 HD13 ILE 54 HD13 ILE 54 6.759 16.753 -6.368 341 H ARG 55 H ARG 55 9.423 20.685 -8.019 342 HA ARG 55 HA ARG 55 11.077 22.029 -6.138 343 HB2 ARG 55 HB2 ARG 55 11.450 21.297 -9.066 344 HB3 ARG 55 HB3 ARG 55 12.753 21.934 -8.059 345 HG2 ARG 55 HG2 ARG 55 12.731 20.040 -6.600 346 HG3 ARG 55 HG3 ARG 55 11.187 19.457 -7.236 347 HD2 ARG 55 HD2 ARG 55 12.969 18.099 -8.100 348 HD3 ARG 55 HD3 ARG 55 12.201 18.999 -9.419 349 HE ARG 55 HE ARG 55 14.379 20.580 -8.658 350 HH11 ARG 55 HH11 ARG 55 13.992 17.362 -10.008 351 HH12 ARG 55 HH12 ARG 55 15.657 17.330 -10.572 352 HH21 ARG 55 HH21 ARG 55 16.266 20.569 -9.454 353 HH22 ARG 55 HH22 ARG 55 16.987 19.207 -10.289 354 H GLN 56 H GLN 56 9.275 23.460 -8.812 355 HA GLN 56 HA GLN 56 10.723 25.953 -8.815 356 HB2 GLN 56 HB2 GLN 56 9.001 24.896 -10.519 357 HB3 GLN 56 HB3 GLN 56 7.791 25.739 -9.578 358 HG2 GLN 56 HG2 GLN 56 10.264 27.061 -10.810 359 HG3 GLN 56 HG3 GLN 56 8.744 26.892 -11.663 360 HE21 GLN 56 HE21 GLN 56 9.902 29.396 -11.302 361 HE22 GLN 56 HE22 GLN 56 8.905 30.316 -10.160 362 H ALA 57 H ALA 57 7.882 24.794 -6.948 363 HA ALA 57 HA ALA 57 7.314 27.417 -5.843 364 HB1 ALA 57 HB1 ALA 57 6.295 24.654 -5.110 365 HB2 ALA 57 HB2 ALA 57 5.600 26.203 -4.579 366 HB3 ALA 57 HB3 ALA 57 5.567 25.762 -6.297 367 H CYS 58 H CYS 58 8.848 24.452 -4.481 368 HA CYS 58 HA CYS 58 9.671 26.009 -2.090 369 HB2 CYS 58 2HB CYS 58 10.478 23.856 -1.221 370 HB3 CYS 58 3HB CYS 58 8.756 23.956 -1.538 371 H ALA 59 H ALA 59 10.806 26.656 -4.752 372 HA ALA 59 HA ALA 59 13.376 25.597 -5.101 373 HB1 ALA 59 HB1 ALA 59 12.141 26.835 -6.820 374 HB2 ALA 59 HB2 ALA 59 12.270 28.329 -5.862 375 HB3 ALA 59 HB3 ALA 59 13.721 27.564 -6.550 376 H GLN 60 H GLN 60 12.417 28.327 -2.963 377 HA GLN 60 HA GLN 60 15.145 29.212 -2.531 378 HB2 GLN 60 HB2 GLN 60 12.613 29.796 -0.954 379 HB3 GLN 60 HB3 GLN 60 14.196 30.509 -0.638 380 HG2 GLN 60 HG2 GLN 60 14.183 31.449 -2.956 381 HG3 GLN 60 HG3 GLN 60 12.558 30.786 -3.193 382 HE21 GLN 60 HE21 GLN 60 10.863 31.518 -1.441 383 HE22 GLN 60 HE22 GLN 60 10.982 33.191 -0.970 384 HA PRO 61 HA PRO 61 15.001 26.242 1.374 385 HB2 PRO 61 HB2 PRO 61 12.913 24.384 0.204 386 HB3 PRO 61 HB3 PRO 61 13.362 24.638 1.916 387 HG2 PRO 61 HG2 PRO 61 11.150 25.801 0.842 388 HG3 PRO 61 HG3 PRO 61 12.187 26.696 2.000 389 HD2 PRO 61 HD2 PRO 61 12.001 26.968 -0.981 390 HD3 PRO 61 HD3 PRO 61 12.300 28.189 0.285 391 H PHE 62 H PHE 62 14.123 24.925 -1.904 392 HA PHE 62 HA PHE 62 15.956 22.781 -1.806 393 HB2 PHE 62 HB2 PHE 62 13.959 23.209 -3.373 394 HB3 PHE 62 HB3 PHE 62 15.072 24.138 -4.362 395 HD1 PHE 62 HD2 PHE 62 16.987 22.948 -5.516 396 HD2 PHE 62 HD1 PHE 62 13.975 20.817 -3.278 397 HE1 PHE 62 HE2 PHE 62 17.697 20.816 -6.573 398 HE2 PHE 62 HE1 PHE 62 14.718 18.684 -4.309 399 HZ PHE 62 HZ PHE 62 16.584 18.681 -5.953 400 H GLU 63 H GLU 63 16.516 26.124 -2.850 401 HA GLU 63 HA GLU 63 19.267 25.758 -3.657 402 HB2 GLU 63 HB2 GLU 63 17.837 27.706 -4.271 403 HB3 GLU 63 HB3 GLU 63 17.826 28.220 -2.584 404 HG2 GLU 63 HG2 GLU 63 20.349 28.406 -2.696 405 HG3 GLU 63 HG3 GLU 63 20.246 28.050 -4.423 406 H ALA 64 H ALA 64 17.787 26.887 -0.552 407 HA ALA 64 HA ALA 64 20.240 27.407 0.760 408 HB1 ALA 64 HB1 ALA 64 18.821 27.506 2.800 409 HB2 ALA 64 HB2 ALA 64 18.108 28.389 1.445 410 HB3 ALA 64 HB3 ALA 64 17.474 26.789 1.891 411 H PHE 65 H PHE 65 18.224 24.455 0.841 412 HA PHE 65 HA PHE 65 19.900 23.101 2.787 413 HB2 PHE 65 HB2 PHE 65 17.574 22.335 1.005 414 HB3 PHE 65 HB3 PHE 65 18.383 21.111 1.937 415 HD1 PHE 65 HD1 PHE 65 18.888 21.960 4.543 416 HD2 PHE 65 HD2 PHE 65 15.598 23.164 2.032 417 HE1 PHE 65 HE1 PHE 65 17.606 22.649 6.543 418 HE2 PHE 65 HE2 PHE 65 14.316 23.841 4.044 419 HZ PHE 65 HZ PHE 65 15.325 23.616 6.297 420 H GLU 66 H GLU 66 20.011 23.263 -0.754 421 HA GLU 66 HA GLU 66 22.191 21.295 -0.916 422 HB2 GLU 66 HB2 GLU 66 20.962 21.612 -2.895 423 HB3 GLU 66 HB3 GLU 66 21.030 23.361 -2.797 424 HG2 GLU 66 HG2 GLU 66 23.501 23.251 -3.282 425 HG3 GLU 66 HG3 GLU 66 23.383 21.487 -3.341 426 H GLU 67 H GLU 67 21.935 24.827 -0.375 427 HA GLU 67 HA GLU 67 24.757 25.314 -0.585 428 HB2 GLU 67 HB2 GLU 67 22.464 26.954 0.485 429 HB3 GLU 67 HB3 GLU 67 24.144 27.481 0.662 430 HG2 GLU 67 HG2 GLU 67 24.475 27.272 -1.773 431 HG3 GLU 67 HG3 GLU 67 22.775 26.869 -1.949 432 H CYS 68 H CYS 68 22.855 24.125 2.114 433 HA CYS 68 HA CYS 68 24.789 24.486 4.198 434 HB2 CYS 68 2HB CYS 68 22.693 22.342 3.685 435 HB3 CYS 68 3HB CYS 68 23.707 22.366 5.124 436 H LEU 69 H LEU 69 24.312 21.571 2.129 437 HA LEU 69 HA LEU 69 26.893 20.495 2.785 438 HB2 LEU 69 HB2 LEU 69 24.682 19.676 0.882 439 HB3 LEU 69 HB3 LEU 69 26.242 18.861 0.901 440 HG LEU 69 HG LEU 69 25.951 18.348 3.333 441 HD11 LEU 69 HD11 LEU 69 24.291 19.961 4.089 442 HD12 LEU 69 HD12 LEU 69 23.597 18.353 4.222 443 HD13 LEU 69 HD13 LEU 69 23.119 19.396 2.866 444 HD21 LEU 69 HD21 LEU 69 24.343 16.529 2.928 445 HD22 LEU 69 HD22 LEU 69 25.448 16.720 1.563 446 HD23 LEU 69 HD23 LEU 69 23.785 17.341 1.447 447 H ARG 70 H ARG 70 26.027 22.813 0.392 448 HA ARG 70 HA ARG 70 28.380 22.350 -1.279 449 HB2 ARG 70 HB2 ARG 70 26.212 23.530 -1.952 450 HB3 ARG 70 HB3 ARG 70 26.791 24.915 -1.003 451 HG2 ARG 70 HG2 ARG 70 28.818 25.001 -2.462 452 HG3 ARG 70 HG3 ARG 70 28.187 23.618 -3.378 453 HD2 ARG 70 HD2 ARG 70 26.194 24.950 -4.021 454 HD3 ARG 70 HD3 ARG 70 26.836 26.343 -3.119 455 HE ARG 70 HE ARG 70 28.830 25.447 -4.933 456 HH11 ARG 70 HH11 ARG 70 25.649 27.012 -5.244 457 HH12 ARG 70 HH12 ARG 70 26.133 27.763 -6.736 458 HH21 ARG 70 HH21 ARG 70 29.341 26.595 -6.732 459 HH22 ARG 70 HH22 ARG 70 28.150 27.539 -7.558 460 H GLN 71 H GLN 71 27.639 24.708 1.335 461 HA GLN 71 HA GLN 71 30.473 25.628 1.267 462 HB2 GLN 71 HB2 GLN 71 28.050 26.766 2.701 463 HB3 GLN 71 HB3 GLN 71 29.634 27.514 2.567 464 HG2 GLN 71 HG2 GLN 71 27.638 27.037 0.313 465 HG3 GLN 71 HG3 GLN 71 28.099 28.565 1.053 466 HE21 GLN 71 HE21 GLN 71 30.704 28.872 0.985 467 HE22 GLN 71 HE22 GLN 71 31.353 28.593 -0.648 468 H ASN 72 H ASN 72 28.304 23.897 3.429 469 HA ASN 72 HA ASN 72 30.290 23.953 5.647 470 HB2 ASN 72 HB2 ASN 72 27.294 24.425 5.872 471 HB3 ASN 72 HB3 ASN 72 28.451 24.473 7.192 472 HD21 ASN 72 HD21 ASN 72 30.360 26.214 6.619 473 HD22 ASN 72 HD22 ASN 72 29.693 27.751 6.034 474 H GLU 73 H GLU 73 29.852 21.761 3.780 475 HA GLU 73 HA GLU 73 27.970 19.850 4.591 476 HB2 GLU 73 HB2 GLU 73 29.232 18.250 3.359 477 HB3 GLU 73 HB3 GLU 73 29.425 19.796 2.554 478 HG2 GLU 73 HG2 GLU 73 31.688 19.988 3.794 479 HG3 GLU 73 HG3 GLU 73 31.476 18.288 4.217 480 H ALA 74 H ALA 74 30.864 20.799 6.183 481 HA ALA 74 HA ALA 74 31.386 18.451 7.812 482 HB1 ALA 74 HB1 ALA 74 32.452 21.311 7.765 483 HB2 ALA 74 HB2 ALA 74 33.169 19.964 8.673 484 HB3 ALA 74 HB3 ALA 74 33.143 19.917 6.900 485 H ALA 75 H ALA 75 29.040 20.852 8.091 486 HA ALA 75 HA ALA 75 28.864 20.619 11.065 487 HB1 ALA 75 HB1 ALA 75 28.306 23.017 11.143 488 HB2 ALA 75 HB2 ALA 75 29.917 22.766 10.442 489 HB3 ALA 75 HB3 ALA 75 28.541 23.148 9.387 490 H VAL 76 H VAL 76 27.481 18.901 9.395 491 HA VAL 76 HA VAL 76 24.951 19.998 8.523 492 HB VAL 76 HB VAL 76 26.120 17.215 8.644 493 HG11 VAL 76 HG11 VAL 76 23.349 17.889 7.604 494 HG12 VAL 76 HG12 VAL 76 24.234 16.384 7.279 495 HG13 VAL 76 HG13 VAL 76 23.739 16.767 8.927 496 HG21 VAL 76 HG21 VAL 76 25.197 19.007 6.349 497 HG22 VAL 76 HG22 VAL 76 26.863 18.919 6.935 498 HG23 VAL 76 HG23 VAL 76 26.110 17.488 6.208 499 H GLY 77 H GLY 77 25.959 18.935 11.646 500 HA2 GLY 77 HA2 GLY 77 23.385 18.388 12.821 501 HA3 GLY 77 HA3 GLY 77 24.815 19.035 13.638 502 H ASN 78 H ASN 78 24.813 21.411 11.624 503 HA ASN 78 HA ASN 78 22.785 23.032 13.016 504 HB2 ASN 78 HB2 ASN 78 25.273 23.648 12.533 505 HB3 ASN 78 HB3 ASN 78 24.696 24.096 10.929 506 HD21 ASN 78 HD21 ASN 78 25.847 25.942 12.757 507 HD22 ASN 78 HD22 ASN 78 24.577 26.995 13.383 508 H CYS 79 H CYS 79 23.319 21.777 9.688 509 HA CYS 79 HA CYS 79 20.449 21.789 9.421 510 HB2 CYS 79 2HB CYS 79 20.437 22.851 7.139 511 HB3 CYS 79 3HB CYS 79 20.612 23.924 8.513 512 H ALA 80 H ALA 80 19.709 20.140 8.327 513 HA ALA 80 HA ALA 80 21.456 18.492 6.553 514 HB1 ALA 80 HB1 ALA 80 19.279 17.741 8.546 515 HB2 ALA 80 HB2 ALA 80 19.952 16.619 7.357 516 HB3 ALA 80 HB3 ALA 80 21.006 17.308 8.608 517 H GLU 81 H GLU 81 20.245 17.321 4.794 518 HA GLU 81 HA GLU 81 18.385 19.349 3.691 519 HB2 GLU 81 HB2 GLU 81 18.954 18.430 1.442 520 HB3 GLU 81 HB3 GLU 81 20.164 19.325 2.332 521 HG2 GLU 81 HG2 GLU 81 21.342 17.643 1.266 522 HG3 GLU 81 HG3 GLU 81 21.293 17.161 2.952 523 H HIS 82 H HIS 82 18.342 15.762 3.251 524 HA HIS 82 HA HIS 82 16.223 16.231 1.587 525 HB2 HIS 82 2HB HIS 82 17.762 14.147 1.870 526 HB3 HIS 82 3HB HIS 82 16.506 13.527 2.931 527 HD1 HIS 82 1HD HIS 82 14.278 14.980 0.639 528 HD2 HIS 82 2HD HIS 82 17.323 12.111 0.198 529 HE1 HIS 82 1HE HIS 82 13.818 13.764 -1.548 530 H MET 83 H MET 83 15.880 15.486 5.033 531 HA MET 83 HA MET 83 12.947 15.144 4.756 532 HB2 MET 83 HB2 MET 83 14.722 15.214 7.221 533 HB3 MET 83 HB3 MET 83 12.990 14.859 7.211 534 HG2 MET 83 HG2 MET 83 13.372 12.918 5.731 535 HG3 MET 83 HG3 MET 83 15.108 13.222 5.758 536 HE1 MET 83 HE1 MET 83 16.207 12.303 9.335 537 HE2 MET 83 HE2 MET 83 16.641 13.000 7.763 538 HE3 MET 83 HE3 MET 83 15.662 13.939 8.914 539 H ARG 84 H ARG 84 15.185 17.781 5.422 540 HA ARG 84 HA ARG 84 13.104 19.493 6.682 541 HB2 ARG 84 HB2 ARG 84 15.947 20.106 5.795 542 HB3 ARG 84 HB3 ARG 84 14.930 21.147 6.785 543 HG2 ARG 84 HG2 ARG 84 15.497 18.372 7.839 544 HG3 ARG 84 HG3 ARG 84 16.824 19.502 7.788 545 HD2 ARG 84 HD2 ARG 84 15.740 19.479 9.973 546 HD3 ARG 84 HD3 ARG 84 15.766 21.064 9.210 547 HE ARG 84 HE ARG 84 13.501 21.140 9.344 548 HH11 ARG 84 HH11 ARG 84 14.278 17.676 9.537 549 HH12 ARG 84 HH12 ARG 84 12.569 17.285 9.683 550 HH21 ARG 84 HH21 ARG 84 11.485 20.523 9.842 551 HH22 ARG 84 HH22 ARG 84 11.101 18.842 10.133 552 H ARG 85 H ARG 85 14.950 19.293 3.684 553 HA ARG 85 HA ARG 85 13.756 21.427 2.222 554 HB2 ARG 85 HB2 ARG 85 15.911 20.062 1.844 555 HB3 ARG 85 HB3 ARG 85 14.879 18.805 1.156 556 HG2 ARG 85 HG2 ARG 85 14.175 20.451 -0.607 557 HG3 ARG 85 HG3 ARG 85 15.219 21.669 0.174 558 HD2 ARG 85 HD2 ARG 85 16.260 20.600 -1.837 559 HD3 ARG 85 HD3 ARG 85 17.216 20.503 -0.369 560 HE ARG 85 HE ARG 85 15.499 18.160 -0.872 561 HH11 ARG 85 HH11 ARG 85 18.618 19.397 -1.808 562 HH12 ARG 85 HH12 ARG 85 19.394 17.850 -1.572 563 HH21 ARG 85 HH21 ARG 85 16.515 16.221 -0.762 564 HH22 ARG 85 HH22 ARG 85 18.278 16.174 -0.706 565 H PHE 86 H PHE 86 12.872 17.941 2.351 566 HA PHE 86 HA PHE 86 10.592 18.053 0.683 567 HB2 PHE 86 HB2 PHE 86 11.573 15.967 1.292 568 HB3 PHE 86 HB3 PHE 86 11.408 16.311 3.010 569 HD1 PHE 86 HD2 PHE 86 8.564 16.743 0.577 570 HD2 PHE 86 HD1 PHE 86 10.401 14.256 3.589 571 HE1 PHE 86 HE2 PHE 86 6.483 15.433 0.775 572 HE2 PHE 86 HE1 PHE 86 8.333 12.908 3.727 573 HZ PHE 86 HZ PHE 86 6.363 13.486 2.318 574 H LEU 87 H LEU 87 10.720 18.534 4.293 575 HA LEU 87 HA LEU 87 7.926 18.798 4.614 576 HB2 LEU 87 HB2 LEU 87 9.495 18.395 6.418 577 HB3 LEU 87 HB3 LEU 87 10.199 19.998 6.260 578 HG LEU 87 HG LEU 87 7.215 19.809 6.723 579 HD11 LEU 87 HD11 LEU 87 8.090 18.174 8.319 580 HD12 LEU 87 HD12 LEU 87 7.551 19.633 9.157 581 HD13 LEU 87 HD13 LEU 87 9.281 19.358 8.900 582 HD21 LEU 87 HD21 LEU 87 8.271 22.059 6.525 583 HD22 LEU 87 HD22 LEU 87 9.383 21.652 7.844 584 HD23 LEU 87 HD23 LEU 87 7.640 21.795 8.146 585 H GLN 88 H GLN 88 10.328 21.363 3.889 586 HA GLN 88 HA GLN 88 8.388 23.508 3.879 587 HB2 GLN 88 HB2 GLN 88 11.105 23.258 2.534 588 HB3 GLN 88 HB3 GLN 88 10.167 24.748 2.631 589 HG2 GLN 88 HG2 GLN 88 11.178 23.208 5.059 590 HG3 GLN 88 HG3 GLN 88 12.007 24.564 4.321 591 HE21 GLN 88 HE21 GLN 88 11.273 24.529 7.009 592 HE22 GLN 88 HE22 GLN 88 10.096 25.811 7.261 593 H CYS 89 H CYS 89 9.154 21.081 1.409 594 HA CYS 89 HA CYS 89 7.640 22.485 -0.671 595 HB2 CYS 89 2HB CYS 89 8.381 19.560 -0.457 596 HB3 CYS 89 3HB CYS 89 7.696 20.357 -1.862 597 H ALA 90 H ALA 90 6.846 19.712 1.544 598 HA ALA 90 HA ALA 90 4.138 19.553 0.721 599 HB1 ALA 90 HB1 ALA 90 5.404 18.810 3.400 600 HB2 ALA 90 HB2 ALA 90 3.848 18.212 2.779 601 HB3 ALA 90 HB3 ALA 90 5.356 17.787 1.945 602 H GLU 91 H GLU 91 5.592 21.791 3.012 603 HA GLU 91 HA GLU 91 3.083 22.767 4.077 604 HB2 GLU 91 HB2 GLU 91 5.437 22.756 5.132 605 HB3 GLU 91 HB3 GLU 91 5.801 24.133 4.102 606 HG2 GLU 91 HG2 GLU 91 5.246 24.831 6.359 607 HG3 GLU 91 HG3 GLU 91 4.035 25.439 5.239 608 H GLN 92 H GLN 92 4.603 23.329 1.071 609 HA GLN 92 HA GLN 92 3.044 25.854 0.606 610 HB2 GLN 92 HB2 GLN 92 5.495 26.122 0.619 611 HB3 GLN 92 HB3 GLN 92 5.650 24.849 -0.583 612 HG2 GLN 92 HG2 GLN 92 5.962 26.898 -1.702 613 HG3 GLN 92 HG3 GLN 92 4.407 26.292 -2.230 614 HE21 GLN 92 HE21 GLN 92 4.964 28.891 -2.736 615 HE22 GLN 92 HE22 GLN 92 4.114 29.950 -1.652 616 H VAL 93 H VAL 93 3.890 22.704 -0.786 617 HA VAL 93 HA VAL 93 1.765 22.907 -2.857 618 HB VAL 93 HB VAL 93 3.511 21.751 -4.415 619 HG11 VAL 93 HG11 VAL 93 4.024 23.866 -5.436 620 HG12 VAL 93 HG12 VAL 93 2.372 23.891 -4.828 621 HG13 VAL 93 HG13 VAL 93 3.643 24.738 -3.928 622 HG21 VAL 93 HG21 VAL 93 5.470 23.385 -2.766 623 HG22 VAL 93 HG22 VAL 93 5.368 21.609 -2.778 624 HG23 VAL 93 HG23 VAL 93 5.792 22.480 -4.257 Start of MODEL 2 1 H TYR 11 H TYR 11 1.295 14.862 0.789 2 HA TYR 11 HA TYR 11 2.578 12.343 0.189 3 HB2 TYR 11 HB2 TYR 11 0.886 11.298 1.192 4 HB3 TYR 11 HB3 TYR 11 0.673 12.859 1.936 5 HD1 TYR 11 HD1 TYR 11 -1.096 14.462 0.724 6 HD2 TYR 11 HD2 TYR 11 -0.911 10.194 0.169 7 HE1 TYR 11 HE1 TYR 11 -3.472 14.450 -0.026 8 HE2 TYR 11 HE2 TYR 11 -3.277 10.191 -0.600 9 HH TYR 11 HH TYR 11 -5.200 11.492 -1.012 10 H CYS 12 H CYS 12 1.874 10.703 -1.287 11 HA CYS 12 HA CYS 12 0.928 11.800 -3.912 12 HB2 CYS 12 2HB CYS 12 2.329 9.185 -3.257 13 HB3 CYS 12 3HB CYS 12 1.982 9.837 -4.860 14 H GLY 13 H GLY 13 -1.100 11.217 -4.658 15 HA2 GLY 13 HA2 GLY 13 -3.031 10.296 -2.939 16 HA3 GLY 13 HA3 GLY 13 -3.194 10.270 -4.689 17 H ARG 14 H ARG 14 -1.252 8.190 -5.225 18 HA ARG 14 HA ARG 14 -2.780 5.853 -4.692 19 HB2 ARG 14 HB2 ARG 14 -1.276 4.609 -5.892 20 HB3 ARG 14 HB3 ARG 14 -1.265 6.181 -6.659 21 HG2 ARG 14 HG2 ARG 14 0.864 5.064 -4.784 22 HG3 ARG 14 HG3 ARG 14 0.948 5.172 -6.536 23 HD2 ARG 14 HD2 ARG 14 0.579 7.740 -6.140 24 HD3 ARG 14 HD3 ARG 14 1.116 7.380 -4.484 25 HE ARG 14 HE ARG 14 3.178 6.327 -5.591 26 HH11 ARG 14 HH11 ARG 14 1.554 8.965 -7.343 27 HH12 ARG 14 HH12 ARG 14 2.949 9.073 -8.418 28 HH21 ARG 14 HH21 ARG 14 4.842 6.706 -6.996 29 HH22 ARG 14 HH22 ARG 14 4.623 7.962 -8.212 30 H GLU 15 H GLU 15 -0.648 7.370 -2.500 31 HA GLU 15 HA GLU 15 0.067 4.983 -1.029 32 HB2 GLU 15 HB2 GLU 15 1.155 7.391 -1.006 33 HB3 GLU 15 HB3 GLU 15 -0.151 7.782 0.125 34 HG2 GLU 15 HG2 GLU 15 0.719 5.699 1.458 35 HG3 GLU 15 HG3 GLU 15 2.128 5.800 0.412 36 H LEU 16 H LEU 16 -2.792 6.991 -1.130 37 HA LEU 16 HA LEU 16 -4.013 5.489 1.134 38 HB2 LEU 16 HB2 LEU 16 -5.079 7.705 -0.657 39 HB3 LEU 16 HB3 LEU 16 -6.036 6.867 0.556 40 HG LEU 16 HG LEU 16 -3.574 8.572 1.111 41 HD11 LEU 16 HD11 LEU 16 -5.170 10.089 2.178 42 HD12 LEU 16 HD12 LEU 16 -6.517 8.997 1.786 43 HD13 LEU 16 HD13 LEU 16 -5.631 9.824 0.490 44 HD21 LEU 16 HD21 LEU 16 -4.228 8.336 3.512 45 HD22 LEU 16 HD22 LEU 16 -3.661 6.826 2.815 46 HD23 LEU 16 HD23 LEU 16 -5.405 7.087 3.048 47 H GLU 17 H GLU 17 -4.336 5.795 -2.435 48 HA GLU 17 HA GLU 17 -6.500 3.966 -2.629 49 HB2 GLU 17 HB2 GLU 17 -4.380 4.518 -4.732 50 HB3 GLU 17 HB3 GLU 17 -5.935 3.745 -5.009 51 HG2 GLU 17 HG2 GLU 17 -7.120 5.787 -4.293 52 HG3 GLU 17 HG3 GLU 17 -5.580 6.604 -4.024 53 H GLN 18 H GLN 18 -2.958 3.223 -2.852 54 HA GLN 18 HA GLN 18 -3.570 0.426 -3.495 55 HB2 GLN 18 HB2 GLN 18 -0.957 1.901 -3.046 56 HB3 GLN 18 HB3 GLN 18 -1.056 0.189 -3.425 57 HG2 GLN 18 HG2 GLN 18 -2.167 2.419 -5.186 58 HG3 GLN 18 HG3 GLN 18 -0.633 1.598 -5.442 59 HE21 GLN 18 HE21 GLN 18 -3.179 1.748 -7.119 60 HE22 GLN 18 HE22 GLN 18 -3.488 0.050 -7.492 61 H TYR 19 H TYR 19 -2.746 2.208 -0.560 62 HA TYR 19 HA TYR 19 -2.488 -0.085 1.195 63 HB2 TYR 19 HB2 TYR 19 -1.919 2.128 1.995 64 HB3 TYR 19 HB3 TYR 19 -3.502 2.759 1.580 65 HD1 TYR 19 HD2 TYR 19 -1.741 0.395 3.871 66 HD2 TYR 19 HD1 TYR 19 -5.318 2.684 3.144 67 HE1 TYR 19 HE2 TYR 19 -2.533 -0.123 6.177 68 HE2 TYR 19 HE1 TYR 19 -6.095 2.190 5.463 69 HH TYR 19 HH TYR 19 -4.233 0.183 7.759 70 H GLY 20 H GLY 20 -5.294 1.902 0.119 71 HA2 GLY 20 HA2 GLY 20 -7.387 0.448 1.279 72 HA3 GLY 20 HA3 GLY 20 -7.490 1.380 -0.224 73 H GLN 21 H GLN 21 -5.762 -0.234 -1.891 74 HA GLN 21 HA GLN 21 -7.440 -2.458 -2.572 75 HB2 GLN 21 HB2 GLN 21 -4.505 -1.793 -3.164 76 HB3 GLN 21 HB3 GLN 21 -5.198 -3.275 -3.762 77 HG2 GLN 21 HG2 GLN 21 -6.202 -0.437 -4.383 78 HG3 GLN 21 HG3 GLN 21 -5.149 -1.381 -5.426 79 HE21 GLN 21 HE21 GLN 21 -7.480 -0.382 -6.450 80 HE22 GLN 21 HE22 GLN 21 -8.658 -1.677 -6.684 81 H CYS 22 H CYS 22 -4.262 -2.566 -0.874 82 HA CYS 22 HA CYS 22 -4.643 -5.435 -0.678 83 HB2 CYS 22 2HB CYS 22 -2.396 -5.437 0.282 84 HB3 CYS 22 3HB CYS 22 -2.545 -4.652 -1.269 85 H VAL 23 H VAL 23 -5.236 -2.795 1.612 86 HA VAL 23 HA VAL 23 -5.694 -4.744 3.765 87 HB VAL 23 HB VAL 23 -4.801 -2.316 3.999 88 HG11 VAL 23 HG11 VAL 23 -6.797 -1.210 2.894 89 HG12 VAL 23 HG12 VAL 23 -7.776 -1.698 4.291 90 HG13 VAL 23 HG13 VAL 23 -6.405 -0.602 4.507 91 HG21 VAL 23 HG21 VAL 23 -5.215 -3.873 5.861 92 HG22 VAL 23 HG22 VAL 23 -5.620 -2.197 6.283 93 HG23 VAL 23 HG23 VAL 23 -6.913 -3.357 5.923 94 H ALA 24 H ALA 24 -7.848 -3.161 1.328 95 HA ALA 24 HA ALA 24 -10.174 -3.830 2.992 96 HB1 ALA 24 HB1 ALA 24 -11.495 -2.803 1.322 97 HB2 ALA 24 HB2 ALA 24 -10.060 -1.791 1.542 98 HB3 ALA 24 HB3 ALA 24 -10.186 -2.892 0.135 99 H ALA 25 H ALA 25 -8.276 -5.637 0.776 100 HA ALA 25 HA ALA 25 -10.402 -7.588 0.196 101 HB1 ALA 25 HB1 ALA 25 -8.538 -8.876 -0.762 102 HB2 ALA 25 HB2 ALA 25 -8.577 -7.216 -1.386 103 HB3 ALA 25 HB3 ALA 25 -7.376 -7.670 -0.165 104 H LYS 26 H LYS 26 -7.392 -7.678 2.181 105 HA LYS 26 HA LYS 26 -8.838 -8.743 4.507 106 HB2 LYS 26 HB2 LYS 26 -6.636 -10.241 3.041 107 HB3 LYS 26 HB3 LYS 26 -6.833 -10.409 4.765 108 HG2 LYS 26 HG2 LYS 26 -9.179 -11.182 4.460 109 HG3 LYS 26 HG3 LYS 26 -8.932 -11.144 2.698 110 HD2 LYS 26 HD2 LYS 26 -7.111 -12.758 2.872 111 HD3 LYS 26 HD3 LYS 26 -7.232 -12.768 4.643 112 HE2 LYS 26 HE2 LYS 26 -9.522 -13.675 4.508 113 HE3 LYS 26 HE3 LYS 26 -9.446 -13.637 2.736 114 HZ1 LYS 26 HZ1 LYS 26 -7.628 -15.220 2.815 115 HZ2 LYS 26 HZ2 LYS 26 -8.915 -15.854 3.633 116 HZ3 LYS 26 HZ3 LYS 26 -7.611 -15.244 4.439 117 HA PRO 27 HA PRO 27 -5.568 -6.399 6.749 118 HB2 PRO 27 HB2 PRO 27 -5.974 -8.790 8.572 119 HB3 PRO 27 HB3 PRO 27 -5.690 -7.078 9.014 120 HG2 PRO 27 HG2 PRO 27 -8.202 -8.066 9.063 121 HG3 PRO 27 HG3 PRO 27 -7.903 -6.462 8.316 122 HD2 PRO 27 HD2 PRO 27 -8.297 -9.126 6.938 123 HD3 PRO 27 HD3 PRO 27 -8.939 -7.520 6.503 124 H GLU 28 H GLU 28 -5.420 -10.000 6.341 125 HA GLU 28 HA GLU 28 -2.624 -10.354 6.467 126 HB2 GLU 28 HB2 GLU 28 -4.330 -12.144 6.405 127 HB3 GLU 28 HB3 GLU 28 -4.710 -11.743 4.729 128 HG2 GLU 28 HG2 GLU 28 -2.383 -12.380 4.069 129 HG3 GLU 28 HG3 GLU 28 -2.048 -12.833 5.742 130 H SER 29 H SER 29 -4.581 -9.361 3.585 131 HA SER 29 HA SER 29 -2.315 -9.680 1.834 132 HB2 SER 29 HB2 SER 29 -3.821 -8.477 0.152 133 HB3 SER 29 HB3 SER 29 -4.264 -10.081 0.745 134 HG SER 29 HG SER 29 -5.276 -7.603 1.705 135 H TRP 30 H TRP 30 -3.201 -7.026 3.906 136 HA TRP 30 HA TRP 30 -1.673 -4.990 2.533 137 HB2 TRP 30 HB2 TRP 30 -3.182 -4.413 4.325 138 HB3 TRP 30 HB3 TRP 30 -2.305 -5.432 5.461 139 HD1 TRP 30 HD1 TRP 30 -1.492 -2.340 3.250 140 HE1 TRP 30 HE1 TRP 30 0.133 -0.799 4.519 141 HE3 TRP 30 HE3 TRP 30 -0.867 -5.153 7.491 142 HZ2 TRP 30 HZ2 TRP 30 1.404 -0.735 7.099 143 HZ3 TRP 30 HZ3 TRP 30 0.535 -4.310 9.353 144 HH2 TRP 30 HH2 TRP 30 1.667 -2.108 9.178 145 H GLN 31 H GLN 31 -0.669 -7.775 4.494 146 HA GLN 31 HA GLN 31 2.154 -6.916 4.299 147 HB2 GLN 31 HB2 GLN 31 1.076 -7.976 6.382 148 HB3 GLN 31 HB3 GLN 31 1.112 -9.490 5.481 149 HG2 GLN 31 HG2 GLN 31 3.023 -9.455 6.864 150 HG3 GLN 31 HG3 GLN 31 3.627 -9.182 5.240 151 HE21 GLN 31 HE21 GLN 31 5.107 -8.607 7.576 152 HE22 GLN 31 HE22 GLN 31 5.417 -6.868 7.562 153 H ARG 32 H ARG 32 0.010 -9.392 2.863 154 HA ARG 32 HA ARG 32 2.225 -10.589 1.346 155 HB2 ARG 32 HB2 ARG 32 -0.767 -11.068 1.189 156 HB3 ARG 32 HB3 ARG 32 0.455 -12.002 0.346 157 HG2 ARG 32 HG2 ARG 32 0.250 -11.788 3.380 158 HG3 ARG 32 HG3 ARG 32 -0.429 -13.090 2.416 159 HD2 ARG 32 HD2 ARG 32 2.533 -12.407 2.595 160 HD3 ARG 32 HD3 ARG 32 1.732 -13.709 3.461 161 HE ARG 32 HE ARG 32 2.506 -13.659 0.625 162 HH11 ARG 32 HH11 ARG 32 0.398 -15.349 2.929 163 HH12 ARG 32 HH12 ARG 32 0.432 -16.792 1.954 164 HH21 ARG 32 HH21 ARG 32 2.516 -15.568 -0.453 165 HH22 ARG 32 HH22 ARG 32 1.445 -16.860 0.003 166 H ASP 33 H ASP 33 -0.595 -8.638 0.274 167 HA ASP 33 HA ASP 33 0.384 -8.696 -2.486 168 HB2 ASP 33 HB2 ASP 33 -2.140 -8.576 -1.470 169 HB3 ASP 33 HB3 ASP 33 -1.890 -6.846 -1.794 170 H CYS 34 H CYS 34 0.577 -6.496 0.233 171 HA CYS 34 HA CYS 34 2.228 -4.641 -1.477 172 HB2 CYS 34 2HB CYS 34 0.696 -4.151 1.096 173 HB3 CYS 34 3HB CYS 34 1.801 -3.009 0.362 174 H HIS 35 H HIS 35 3.964 -6.343 -1.234 175 HA HIS 35 HA HIS 35 5.558 -5.698 1.227 176 HB2 HIS 35 2HB HIS 35 5.735 -8.038 0.769 177 HB3 HIS 35 3HB HIS 35 5.975 -7.767 -0.953 178 HD1 HIS 35 1HD HIS 35 8.469 -7.346 -1.762 179 HD2 HIS 35 2HD HIS 35 7.902 -7.379 2.404 180 HE1 HIS 35 1HE HIS 35 10.788 -7.302 -0.735 181 H TYR 36 H TYR 36 6.077 -5.935 -2.280 182 HA TYR 36 HA TYR 36 8.205 -4.005 -2.307 183 HB2 TYR 36 HB2 TYR 36 6.520 -5.093 -4.604 184 HB3 TYR 36 HB3 TYR 36 8.074 -4.295 -4.745 185 HD1 TYR 36 HD1 TYR 36 10.168 -5.423 -3.954 186 HD2 TYR 36 HD2 TYR 36 6.367 -7.467 -3.967 187 HE1 TYR 36 HE1 TYR 36 11.342 -7.597 -3.693 188 HE2 TYR 36 HE2 TYR 36 7.546 -9.639 -3.684 189 HH TYR 36 HH TYR 36 11.122 -9.881 -3.546 190 H LEU 37 H LEU 37 4.728 -3.861 -3.150 191 HA LEU 37 HA LEU 37 4.917 -1.111 -3.977 192 HB2 LEU 37 HB2 LEU 37 3.106 -3.087 -4.486 193 HB3 LEU 37 HB3 LEU 37 2.246 -2.203 -3.227 194 HG LEU 37 HG LEU 37 2.720 -0.069 -4.608 195 HD11 LEU 37 HD11 LEU 37 4.544 -0.982 -6.060 196 HD12 LEU 37 HD12 LEU 37 3.173 -0.426 -7.022 197 HD13 LEU 37 HD13 LEU 37 3.413 -2.163 -6.730 198 HD21 LEU 37 HD21 LEU 37 1.050 -2.229 -5.953 199 HD22 LEU 37 HD22 LEU 37 0.885 -0.475 -6.165 200 HD23 LEU 37 HD23 LEU 37 0.518 -1.213 -4.598 201 H LYS 38 H LYS 38 4.411 -2.550 -0.802 202 HA LYS 38 HA LYS 38 3.303 -0.216 0.510 203 HB2 LYS 38 HB2 LYS 38 3.455 -2.542 1.533 204 HB3 LYS 38 HB3 LYS 38 5.197 -2.323 1.692 205 HG2 LYS 38 HG2 LYS 38 4.697 -0.272 3.100 206 HG3 LYS 38 HG3 LYS 38 2.986 -0.693 3.004 207 HD2 LYS 38 HD2 LYS 38 5.165 -2.426 4.255 208 HD3 LYS 38 HD3 LYS 38 4.118 -1.307 5.108 209 HE2 LYS 38 HE2 LYS 38 2.792 -3.002 5.516 210 HE3 LYS 38 HE3 LYS 38 2.199 -2.822 3.870 211 HZ1 LYS 38 HZ1 LYS 38 3.398 -4.677 3.210 212 HZ2 LYS 38 HZ2 LYS 38 3.110 -5.102 4.767 213 HZ3 LYS 38 HZ3 LYS 38 4.572 -4.525 4.351 214 H MET 39 H MET 39 6.631 -1.304 -0.060 215 HA MET 39 HA MET 39 7.838 1.077 1.067 216 HB2 MET 39 HB2 MET 39 8.936 -1.190 -0.636 217 HB3 MET 39 HB3 MET 39 9.926 0.109 0.050 218 HG2 MET 39 HG2 MET 39 9.138 -0.463 2.319 219 HG3 MET 39 HG3 MET 39 8.165 -1.782 1.676 220 HE1 MET 39 HE1 MET 39 9.048 -4.169 1.085 221 HE2 MET 39 HE2 MET 39 9.808 -3.387 -0.319 222 HE3 MET 39 HE3 MET 39 10.751 -4.493 0.699 223 H SER 40 H SER 40 6.915 0.175 -2.279 224 HA SER 40 HA SER 40 8.057 2.392 -3.633 225 HB2 SER 40 HB2 SER 40 6.971 0.405 -4.714 226 HB3 SER 40 HB3 SER 40 5.388 1.059 -4.257 227 HG SER 40 HG SER 40 5.503 2.215 -6.013 228 H ILE 41 H ILE 41 4.679 2.144 -2.299 229 HA ILE 41 HA ILE 41 4.134 4.890 -2.970 230 HB ILE 41 HB ILE 41 2.052 4.648 -1.852 231 HG12 ILE 41 HG12 ILE 41 3.203 2.124 -0.632 232 HG13 ILE 41 HG13 ILE 41 2.519 3.514 0.183 233 HG21 ILE 41 HG21 ILE 41 2.525 3.616 -4.122 234 HG22 ILE 41 HG22 ILE 41 2.579 2.044 -3.315 235 HG23 ILE 41 HG23 ILE 41 1.093 3.018 -3.279 236 HD11 ILE 41 HD11 ILE 41 0.250 2.857 -0.725 237 HD12 ILE 41 HD12 ILE 41 1.006 1.387 -1.384 238 HD13 ILE 41 HD13 ILE 41 0.986 1.667 0.361 239 H ALA 42 H ALA 42 5.399 3.420 -0.014 240 HA ALA 42 HA ALA 42 5.311 5.787 1.602 241 HB1 ALA 42 HB1 ALA 42 7.278 3.452 1.592 242 HB2 ALA 42 HB2 ALA 42 7.093 4.649 2.887 243 HB3 ALA 42 HB3 ALA 42 5.757 3.543 2.516 244 H GLN 43 H GLN 43 7.763 4.643 -0.831 245 HA GLN 43 HA GLN 43 9.655 6.675 -0.168 246 HB2 GLN 43 HB2 GLN 43 9.911 4.451 -1.533 247 HB3 GLN 43 HB3 GLN 43 9.496 5.428 -2.935 248 HG2 GLN 43 HG2 GLN 43 11.743 6.025 -0.947 249 HG3 GLN 43 HG3 GLN 43 11.975 5.106 -2.422 250 HE21 GLN 43 HE21 GLN 43 13.308 7.601 -1.614 251 HE22 GLN 43 HE22 GLN 43 12.997 8.710 -2.932 252 H CYS 44 H CYS 44 7.005 6.684 -2.601 253 HA CYS 44 HA CYS 44 7.620 9.146 -3.819 254 HB2 CYS 44 2HB CYS 44 5.865 7.511 -4.492 255 HB3 CYS 44 3HB CYS 44 4.834 8.091 -3.184 256 H THR 45 H THR 45 5.768 8.644 -0.762 257 HA THR 45 HA THR 45 5.590 11.528 -0.285 258 HB THR 45 HB THR 45 4.874 9.189 1.504 259 HG1 THR 45 HG1 THR 45 2.861 9.501 0.731 260 HG21 THR 45 HG21 THR 45 4.980 11.111 2.926 261 HG22 THR 45 HG22 THR 45 3.282 10.960 2.460 262 HG23 THR 45 HG23 THR 45 4.301 12.180 1.671 263 H SER 46 H SER 46 7.986 9.122 0.401 264 HA SER 46 HA SER 46 9.251 10.687 2.563 265 HB2 SER 46 HB2 SER 46 10.224 8.072 1.423 266 HB3 SER 46 HB3 SER 46 10.705 8.854 2.934 267 HG SER 46 HG SER 46 8.206 7.719 2.246 268 H SER 47 H SER 47 9.499 10.841 -0.786 269 HA SER 47 HA SER 47 12.306 10.956 -1.157 270 HB2 SER 47 HB2 SER 47 10.547 10.640 -2.905 271 HB3 SER 47 HB3 SER 47 10.176 12.368 -2.796 272 HG SER 47 HG SER 47 12.716 11.218 -3.488 273 H HIS 48 H HIS 48 10.365 13.248 0.443 274 HA HIS 48 HA HIS 48 11.897 15.648 0.170 275 HB2 HIS 48 2HB HIS 48 10.354 14.678 2.599 276 HB3 HIS 48 3HB HIS 48 10.761 16.336 2.186 277 HD1 HIS 48 1HD HIS 48 8.048 13.781 1.707 278 HD2 HIS 48 2HD HIS 48 9.392 17.360 -0.075 279 HE1 HIS 48 1HE HIS 48 6.164 14.603 0.246 280 HA PRO 49 HA PRO 49 15.484 14.083 2.483 281 HB2 PRO 49 HB2 PRO 49 16.230 17.004 2.608 282 HB3 PRO 49 HB3 PRO 49 17.236 15.587 2.172 283 HG2 PRO 49 HG2 PRO 49 16.247 17.179 0.245 284 HG3 PRO 49 HG3 PRO 49 16.117 15.396 0.047 285 HD2 PRO 49 HD2 PRO 49 14.024 17.322 1.121 286 HD3 PRO 49 HD3 PRO 49 13.866 16.103 -0.183 287 H ILE 50 H ILE 50 14.051 13.457 4.283 288 HA ILE 50 HA ILE 50 14.484 15.071 6.757 289 HB ILE 50 HB ILE 50 11.826 13.777 6.063 290 HG12 ILE 50 HG12 ILE 50 12.552 16.742 5.958 291 HG13 ILE 50 HG13 ILE 50 12.191 15.722 4.564 292 HG21 ILE 50 HG21 ILE 50 12.604 15.721 8.290 293 HG22 ILE 50 HG22 ILE 50 11.030 14.926 8.075 294 HG23 ILE 50 HG23 ILE 50 12.429 13.967 8.502 295 HD11 ILE 50 HD11 ILE 50 10.222 16.547 6.714 296 HD12 ILE 50 HD12 ILE 50 10.261 17.030 5.015 297 HD13 ILE 50 HD13 ILE 50 9.889 15.346 5.437 298 H ILE 51 H ILE 51 15.723 13.870 8.005 299 HA ILE 51 HA ILE 51 15.293 10.908 8.144 300 HB ILE 51 HB ILE 51 17.722 10.672 8.516 301 HG12 ILE 51 HG12 ILE 51 17.942 13.564 7.556 302 HG13 ILE 51 HG13 ILE 51 18.157 13.050 9.231 303 HG21 ILE 51 HG21 ILE 51 17.000 11.933 5.839 304 HG22 ILE 51 HG22 ILE 51 18.282 10.747 6.156 305 HG23 ILE 51 HG23 ILE 51 16.592 10.275 6.326 306 HD11 ILE 51 HD11 ILE 51 19.889 12.183 6.878 307 HD12 ILE 51 HD12 ILE 51 20.318 13.332 8.149 308 HD13 ILE 51 HD13 ILE 51 20.069 11.622 8.560 309 H ARG 52 H ARG 52 15.081 13.686 9.984 310 HA ARG 52 HA ARG 52 16.134 12.936 12.466 311 HB2 ARG 52 HB2 ARG 52 14.642 14.623 13.399 312 HB3 ARG 52 HB3 ARG 52 15.346 15.197 11.908 313 HG2 ARG 52 HG2 ARG 52 13.276 14.801 10.683 314 HG3 ARG 52 HG3 ARG 52 12.532 14.015 12.079 315 HD2 ARG 52 HD2 ARG 52 13.465 16.903 12.018 316 HD3 ARG 52 HD3 ARG 52 11.801 16.382 11.711 317 HE ARG 52 HE ARG 52 12.042 15.273 14.082 318 HH11 ARG 52 HH11 ARG 52 13.257 18.496 13.245 319 HH12 ARG 52 HH12 ARG 52 13.127 18.990 14.930 320 HH21 ARG 52 HH21 ARG 52 11.994 16.115 16.214 321 HH22 ARG 52 HH22 ARG 52 12.484 17.796 16.415 322 H GLN 53 H GLN 53 13.226 11.594 11.094 323 HA GLN 53 HA GLN 53 12.578 10.260 13.672 324 HB2 GLN 53 HB2 GLN 53 10.790 11.130 12.139 325 HB3 GLN 53 HB3 GLN 53 11.271 9.913 10.949 326 HG2 GLN 53 HG2 GLN 53 10.725 8.104 12.533 327 HG3 GLN 53 HG3 GLN 53 10.347 9.299 13.786 328 HE21 GLN 53 HE21 GLN 53 8.496 10.776 13.381 329 HE22 GLN 53 HE22 GLN 53 7.225 10.263 12.254 330 H ILE 54 H ILE 54 13.680 9.449 10.356 331 HA ILE 54 HA ILE 54 14.014 6.686 10.625 332 HB ILE 54 HB ILE 54 15.857 8.535 9.054 333 HG12 ILE 54 HG12 ILE 54 13.610 9.104 8.397 334 HG13 ILE 54 HG13 ILE 54 14.397 8.211 7.118 335 HG21 ILE 54 HG21 ILE 54 16.748 6.280 9.127 336 HG22 ILE 54 HG22 ILE 54 15.172 5.589 8.703 337 HG23 ILE 54 HG23 ILE 54 16.072 6.564 7.523 338 HD11 ILE 54 HD11 ILE 54 13.114 6.169 7.730 339 HD12 ILE 54 HD12 ILE 54 12.326 7.069 9.052 340 HD13 ILE 54 HD13 ILE 54 12.060 7.544 7.370 341 H ARG 55 H ARG 55 16.481 9.194 11.376 342 HA ARG 55 HA ARG 55 18.476 7.278 12.120 343 HB2 ARG 55 HB2 ARG 55 19.860 9.091 12.589 344 HB3 ARG 55 HB3 ARG 55 18.824 9.621 11.266 345 HG2 ARG 55 HG2 ARG 55 17.345 10.697 13.162 346 HG3 ARG 55 HG3 ARG 55 18.763 10.455 14.190 347 HD2 ARG 55 HD2 ARG 55 18.508 12.135 11.678 348 HD3 ARG 55 HD3 ARG 55 18.854 12.689 13.325 349 HE ARG 55 HE ARG 55 20.982 11.021 12.748 350 HH11 ARG 55 HH11 ARG 55 19.774 13.977 11.227 351 HH12 ARG 55 HH12 ARG 55 21.289 14.159 10.338 352 HH21 ARG 55 HH21 ARG 55 22.802 11.421 11.690 353 HH22 ARG 55 HH22 ARG 55 22.929 12.857 10.643 354 H GLN 56 H GLN 56 15.829 8.463 13.957 355 HA GLN 56 HA GLN 56 16.943 7.458 16.533 356 HB2 GLN 56 HB2 GLN 56 14.183 8.531 15.818 357 HB3 GLN 56 HB3 GLN 56 14.728 8.049 17.429 358 HG2 GLN 56 HG2 GLN 56 16.454 9.829 17.392 359 HG3 GLN 56 HG3 GLN 56 15.920 10.330 15.786 360 HE21 GLN 56 HE21 GLN 56 15.839 12.372 17.363 361 HE22 GLN 56 HE22 GLN 56 14.245 12.678 18.062 362 H ALA 57 H ALA 57 14.447 6.586 14.093 363 HA ALA 57 HA ALA 57 13.579 4.235 15.499 364 HB1 ALA 57 HB1 ALA 57 13.134 5.154 12.627 365 HB2 ALA 57 HB2 ALA 57 12.195 3.914 13.487 366 HB3 ALA 57 HB3 ALA 57 12.141 5.600 14.035 367 H CYS 58 H CYS 58 16.287 4.686 13.384 368 HA CYS 58 HA CYS 58 16.717 1.739 13.086 369 HB2 CYS 58 2HB CYS 58 15.501 2.739 11.160 370 HB3 CYS 58 3HB CYS 58 16.769 3.949 11.003 371 H ALA 59 H ALA 59 18.816 1.189 13.570 372 HA ALA 59 HA ALA 59 20.785 3.428 13.852 373 HB1 ALA 59 HB1 ALA 59 21.481 2.305 15.940 374 HB2 ALA 59 HB2 ALA 59 19.778 2.797 15.971 375 HB3 ALA 59 HB3 ALA 59 20.201 1.093 15.715 376 H GLN 60 H GLN 60 21.125 -0.177 14.024 377 HA GLN 60 HA GLN 60 23.881 0.142 13.399 378 HB2 GLN 60 HB2 GLN 60 22.434 -2.520 13.172 379 HB3 GLN 60 HB3 GLN 60 24.135 -2.189 13.402 380 HG2 GLN 60 HG2 GLN 60 23.384 -2.837 15.518 381 HG3 GLN 60 HG3 GLN 60 23.564 -1.089 15.618 382 HE21 GLN 60 HE21 GLN 60 22.128 -1.348 17.529 383 HE22 GLN 60 HE22 GLN 60 20.388 -1.490 17.278 384 HA PRO 61 HA PRO 61 23.003 -1.232 8.896 385 HB2 PRO 61 HB2 PRO 61 20.156 -0.378 8.504 386 HB3 PRO 61 HB3 PRO 61 21.030 -1.783 7.814 387 HG2 PRO 61 HG2 PRO 61 19.247 -2.126 9.832 388 HG3 PRO 61 HG3 PRO 61 20.806 -3.017 9.850 389 HD2 PRO 61 HD2 PRO 61 20.104 -0.426 11.272 390 HD3 PRO 61 HD3 PRO 61 20.845 -1.903 11.943 391 H PHE 62 H PHE 62 21.589 1.623 10.447 392 HA PHE 62 HA PHE 62 21.802 3.292 8.082 393 HB2 PHE 62 HB2 PHE 62 20.051 3.483 9.920 394 HB3 PHE 62 HB3 PHE 62 21.307 4.081 10.987 395 HD1 PHE 62 HD2 PHE 62 19.188 4.833 8.045 396 HD2 PHE 62 HD1 PHE 62 22.184 6.354 10.740 397 HE1 PHE 62 HE2 PHE 62 18.786 7.131 7.193 398 HE2 PHE 62 HE1 PHE 62 21.752 8.656 9.919 399 HZ PHE 62 HZ PHE 62 20.072 9.047 8.132 400 H GLU 63 H GLU 63 23.858 2.599 10.855 401 HA GLU 63 HA GLU 63 25.970 4.435 9.925 402 HB2 GLU 63 HB2 GLU 63 25.683 3.695 12.328 403 HB3 GLU 63 HB3 GLU 63 26.170 2.070 11.827 404 HG2 GLU 63 HG2 GLU 63 28.311 3.182 10.892 405 HG3 GLU 63 HG3 GLU 63 27.809 4.637 11.752 406 H ALA 64 H ALA 64 25.350 0.861 9.806 407 HA ALA 64 HA ALA 64 27.776 0.166 8.701 408 HB1 ALA 64 HB1 ALA 64 26.151 -1.388 9.733 409 HB2 ALA 64 HB2 ALA 64 25.123 -1.265 8.285 410 HB3 ALA 64 HB3 ALA 64 26.740 -1.982 8.172 411 H PHE 65 H PHE 65 24.903 1.235 6.777 412 HA PHE 65 HA PHE 65 26.362 0.589 4.293 413 HB2 PHE 65 HB2 PHE 65 23.673 1.779 4.874 414 HB3 PHE 65 HB3 PHE 65 24.394 1.936 3.271 415 HD1 PHE 65 HD1 PHE 65 25.256 -0.143 2.073 416 HD2 PHE 65 HD2 PHE 65 22.656 -0.337 5.507 417 HE1 PHE 65 HE1 PHE 65 24.777 -2.533 1.575 418 HE2 PHE 65 HE2 PHE 65 22.167 -2.717 4.986 419 HZ PHE 65 HZ PHE 65 23.249 -3.822 3.057 420 H GLU 66 H GLU 66 26.179 3.426 6.353 421 HA GLU 66 HA GLU 66 27.457 5.216 4.422 422 HB2 GLU 66 HB2 GLU 66 26.124 5.734 6.624 423 HB3 GLU 66 HB3 GLU 66 27.648 5.427 7.447 424 HG2 GLU 66 HG2 GLU 66 28.732 7.193 6.084 425 HG3 GLU 66 HG3 GLU 66 27.209 7.465 5.221 426 H GLU 67 H GLU 67 28.488 2.984 6.970 427 HA GLU 67 HA GLU 67 31.314 3.402 6.722 428 HB2 GLU 67 HB2 GLU 67 30.084 2.536 8.731 429 HB3 GLU 67 HB3 GLU 67 29.875 0.997 7.884 430 HG2 GLU 67 HG2 GLU 67 32.309 0.671 7.817 431 HG3 GLU 67 HG3 GLU 67 32.576 2.297 8.463 432 H CYS 68 H CYS 68 29.069 1.587 4.777 433 HA CYS 68 HA CYS 68 31.008 -0.189 3.557 434 HB2 CYS 68 2HB CYS 68 28.484 -0.429 3.499 435 HB3 CYS 68 3HB CYS 68 28.464 0.821 2.251 436 H LEU 69 H LEU 69 29.605 2.983 2.359 437 HA LEU 69 HA LEU 69 31.581 3.351 0.409 438 HB2 LEU 69 HB2 LEU 69 29.573 5.175 1.789 439 HB3 LEU 69 HB3 LEU 69 30.672 5.747 0.557 440 HG LEU 69 HG LEU 69 29.751 3.843 -0.962 441 HD11 LEU 69 HD11 LEU 69 28.450 2.526 0.604 442 HD12 LEU 69 HD12 LEU 69 27.359 3.294 -0.529 443 HD13 LEU 69 HD13 LEU 69 27.528 3.965 1.110 444 HD21 LEU 69 HD21 LEU 69 27.893 5.266 -1.694 445 HD22 LEU 69 HD22 LEU 69 29.313 6.241 -1.308 446 HD23 LEU 69 HD23 LEU 69 27.962 6.161 -0.157 447 H ARG 70 H ARG 70 31.648 4.254 3.886 448 HA ARG 70 HA ARG 70 33.913 5.940 3.865 449 HB2 ARG 70 HB2 ARG 70 32.414 5.287 5.795 450 HB3 ARG 70 HB3 ARG 70 33.335 3.772 5.921 451 HG2 ARG 70 HG2 ARG 70 35.380 5.024 6.449 452 HG3 ARG 70 HG3 ARG 70 34.524 6.567 6.192 453 HD2 ARG 70 HD2 ARG 70 32.920 5.946 7.970 454 HD3 ARG 70 HD3 ARG 70 33.817 4.454 8.275 455 HE ARG 70 HE ARG 70 35.727 6.473 8.541 456 HH11 ARG 70 HH11 ARG 70 32.646 5.961 10.224 457 HH12 ARG 70 HH12 ARG 70 33.416 6.389 11.752 458 HH21 ARG 70 HH21 ARG 70 36.447 7.112 10.489 459 HH22 ARG 70 HH22 ARG 70 35.362 7.015 11.897 460 H GLN 71 H GLN 71 33.860 2.465 3.458 461 HA GLN 71 HA GLN 71 36.825 2.410 3.011 462 HB2 GLN 71 HB2 GLN 71 34.731 0.207 3.171 463 HB3 GLN 71 HB3 GLN 71 36.420 -0.071 2.759 464 HG2 GLN 71 HG2 GLN 71 35.450 1.163 5.379 465 HG3 GLN 71 HG3 GLN 71 35.915 -0.518 5.158 466 HE21 GLN 71 HE21 GLN 71 37.117 1.651 6.903 467 HE22 GLN 71 HE22 GLN 71 38.832 1.537 6.468 468 H ASN 72 H ASN 72 33.778 1.863 1.242 469 HA ASN 72 HA ASN 72 35.287 1.397 -1.287 470 HB2 ASN 72 HB2 ASN 72 32.678 0.150 -0.377 471 HB3 ASN 72 HB3 ASN 72 33.575 -0.267 -1.809 472 HD21 ASN 72 HD21 ASN 72 32.849 -2.219 0.131 473 HD22 ASN 72 HD22 ASN 72 34.320 -2.776 0.889 474 H GLU 73 H GLU 73 34.015 4.064 -0.401 475 HA GLU 73 HA GLU 73 31.633 4.547 -1.664 476 HB2 GLU 73 HB2 GLU 73 32.371 6.925 -1.955 477 HB3 GLU 73 HB3 GLU 73 32.584 6.312 -0.339 478 HG2 GLU 73 HG2 GLU 73 34.976 6.102 -0.610 479 HG3 GLU 73 HG3 GLU 73 34.862 6.397 -2.344 480 H ALA 74 H ALA 74 34.705 3.968 -3.213 481 HA ALA 74 HA ALA 74 34.211 5.140 -5.803 482 HB1 ALA 74 HB1 ALA 74 36.157 3.002 -4.827 483 HB2 ALA 74 HB2 ALA 74 36.278 3.890 -6.366 484 HB3 ALA 74 HB3 ALA 74 36.454 4.759 -4.828 485 H ALA 75 H ALA 75 32.986 2.224 -4.374 486 HA ALA 75 HA ALA 75 32.457 0.983 -7.045 487 HB1 ALA 75 HB1 ALA 75 34.336 -0.117 -5.889 488 HB2 ALA 75 HB2 ALA 75 33.305 -0.390 -4.464 489 HB3 ALA 75 HB3 ALA 75 32.928 -1.188 -6.005 490 H VAL 76 H VAL 76 30.502 2.546 -6.402 491 HA VAL 76 HA VAL 76 28.731 1.740 -4.355 492 HB VAL 76 HB VAL 76 28.165 3.372 -6.875 493 HG11 VAL 76 HG11 VAL 76 26.400 4.487 -5.510 494 HG12 VAL 76 HG12 VAL 76 26.038 2.796 -5.833 495 HG13 VAL 76 HG13 VAL 76 26.656 3.276 -4.233 496 HG21 VAL 76 HG21 VAL 76 30.008 4.354 -5.577 497 HG22 VAL 76 HG22 VAL 76 28.562 5.336 -5.386 498 HG23 VAL 76 HG23 VAL 76 29.055 4.232 -4.083 499 H GLY 77 H GLY 77 29.009 0.432 -7.617 500 HA2 GLY 77 HA2 GLY 77 26.538 -0.996 -7.781 501 HA3 GLY 77 HA3 GLY 77 28.071 -1.481 -8.500 502 H ASN 78 H ASN 78 29.280 -1.526 -5.611 503 HA ASN 78 HA ASN 78 28.369 -4.245 -4.875 504 HB2 ASN 78 HB2 ASN 78 30.659 -2.528 -3.841 505 HB3 ASN 78 HB3 ASN 78 30.267 -4.139 -3.263 506 HD21 ASN 78 HD21 ASN 78 32.761 -3.923 -4.103 507 HD22 ASN 78 HD22 ASN 78 32.964 -4.634 -5.702 508 H CYS 79 H CYS 79 28.046 -0.919 -3.632 509 HA CYS 79 HA CYS 79 25.724 -1.714 -2.136 510 HB2 CYS 79 2HB CYS 79 26.495 -0.857 0.077 511 HB3 CYS 79 3HB CYS 79 27.295 -2.338 -0.425 512 H ALA 80 H ALA 80 24.273 -0.015 -2.053 513 HA ALA 80 HA ALA 80 25.287 2.777 -2.402 514 HB1 ALA 80 HB1 ALA 80 24.296 1.943 -4.493 515 HB2 ALA 80 HB2 ALA 80 22.794 1.537 -3.628 516 HB3 ALA 80 HB3 ALA 80 23.317 3.229 -3.778 517 H GLU 81 H GLU 81 24.558 4.256 -0.955 518 HA GLU 81 HA GLU 81 23.332 2.992 1.357 519 HB2 GLU 81 HB2 GLU 81 23.990 5.109 2.548 520 HB3 GLU 81 HB3 GLU 81 25.237 4.056 1.916 521 HG2 GLU 81 HG2 GLU 81 25.905 6.319 1.552 522 HG3 GLU 81 HG3 GLU 81 25.608 5.562 -0.009 523 H HIS 82 H HIS 82 22.090 5.553 -0.849 524 HA HIS 82 HA HIS 82 20.008 6.326 0.983 525 HB2 HIS 82 2HB HIS 82 20.327 6.552 -2.031 526 HB3 HIS 82 3HB HIS 82 18.786 6.899 -1.274 527 HD1 HIS 82 1HD HIS 82 22.360 8.194 -0.359 528 HD2 HIS 82 2HD HIS 82 18.437 9.394 -1.296 529 HE1 HIS 82 1HE HIS 82 22.352 10.739 -0.286 530 H MET 83 H MET 83 19.913 3.921 -1.695 531 HA MET 83 HA MET 83 17.215 3.112 -1.114 532 HB2 MET 83 HB2 MET 83 18.262 2.804 -3.288 533 HB3 MET 83 HB3 MET 83 19.451 1.681 -2.620 534 HG2 MET 83 HG2 MET 83 16.462 1.174 -2.432 535 HG3 MET 83 HG3 MET 83 17.386 0.750 -3.867 536 HE1 MET 83 HE1 MET 83 16.300 -1.660 -3.583 537 HE2 MET 83 HE2 MET 83 16.545 -2.698 -2.167 538 HE3 MET 83 HE3 MET 83 15.552 -1.227 -2.030 539 H ARG 84 H ARG 84 20.382 1.627 -0.169 540 HA ARG 84 HA ARG 84 19.048 -0.549 1.185 541 HB2 ARG 84 HB2 ARG 84 21.927 0.399 1.431 542 HB3 ARG 84 HB3 ARG 84 21.308 -1.147 2.003 543 HG2 ARG 84 HG2 ARG 84 21.197 -0.293 -0.925 544 HG3 ARG 84 HG3 ARG 84 22.539 -1.172 -0.225 545 HD2 ARG 84 HD2 ARG 84 19.670 -2.209 -0.149 546 HD3 ARG 84 HD3 ARG 84 20.748 -2.500 -1.506 547 HE ARG 84 HE ARG 84 20.811 -3.852 1.064 548 HH11 ARG 84 HH11 ARG 84 22.997 -2.964 -1.629 549 HH12 ARG 84 HH12 ARG 84 24.111 -4.228 -1.090 550 HH21 ARG 84 HH21 ARG 84 22.235 -5.390 1.456 551 HH22 ARG 84 HH22 ARG 84 23.733 -5.490 0.499 552 H ARG 85 H ARG 85 20.091 2.652 2.409 553 HA ARG 85 HA ARG 85 19.435 1.863 5.172 554 HB2 ARG 85 HB2 ARG 85 19.862 4.616 3.935 555 HB3 ARG 85 HB3 ARG 85 19.487 4.311 5.636 556 HG2 ARG 85 HG2 ARG 85 21.493 2.726 5.671 557 HG3 ARG 85 HG3 ARG 85 21.981 3.400 4.127 558 HD2 ARG 85 HD2 ARG 85 21.577 5.028 6.673 559 HD3 ARG 85 HD3 ARG 85 23.103 4.287 6.180 560 HE ARG 85 HE ARG 85 22.093 6.059 4.120 561 HH11 ARG 85 HH11 ARG 85 23.630 6.177 7.309 562 HH12 ARG 85 HH12 ARG 85 24.501 7.638 6.907 563 HH21 ARG 85 HH21 ARG 85 23.364 7.833 3.682 564 HH22 ARG 85 HH22 ARG 85 24.272 8.595 4.974 565 H PHE 86 H PHE 86 17.610 3.534 2.537 566 HA PHE 86 HA PHE 86 15.219 3.852 4.007 567 HB2 PHE 86 HB2 PHE 86 15.593 4.828 1.788 568 HB3 PHE 86 HB3 PHE 86 15.622 3.240 1.047 569 HD1 PHE 86 HD1 PHE 86 13.476 5.807 2.629 570 HD2 PHE 86 HD2 PHE 86 13.559 2.005 0.600 571 HE1 PHE 86 HE1 PHE 86 11.009 5.904 2.348 572 HE2 PHE 86 HE2 PHE 86 11.099 2.142 0.257 573 HZ PHE 86 HZ PHE 86 9.820 4.067 1.154 574 H LEU 87 H LEU 87 16.226 1.014 2.070 575 HA LEU 87 HA LEU 87 14.051 -0.711 2.600 576 HB2 LEU 87 HB2 LEU 87 15.784 -1.093 0.884 577 HB3 LEU 87 HB3 LEU 87 17.016 -1.237 2.129 578 HG LEU 87 HG LEU 87 15.869 -3.313 2.989 579 HD11 LEU 87 HD11 LEU 87 14.267 -4.439 1.475 580 HD12 LEU 87 HD12 LEU 87 14.230 -2.995 0.438 581 HD13 LEU 87 HD13 LEU 87 13.602 -2.927 2.103 582 HD21 LEU 87 HD21 LEU 87 16.660 -4.745 1.158 583 HD22 LEU 87 HD22 LEU 87 17.803 -3.435 1.490 584 HD23 LEU 87 HD23 LEU 87 16.731 -3.341 0.074 585 H GLN 88 H GLN 88 17.207 -0.630 4.384 586 HA GLN 88 HA GLN 88 16.316 -2.679 6.188 587 HB2 GLN 88 HB2 GLN 88 18.611 -0.694 6.340 588 HB3 GLN 88 HB3 GLN 88 18.349 -1.964 7.537 589 HG2 GLN 88 HG2 GLN 88 18.677 -2.606 4.577 590 HG3 GLN 88 HG3 GLN 88 20.033 -2.439 5.679 591 HE21 GLN 88 HE21 GLN 88 20.744 -4.365 6.654 592 HE22 GLN 88 HE22 GLN 88 19.727 -5.798 6.702 593 H CYS 89 H CYS 89 16.002 0.853 6.383 594 HA CYS 89 HA CYS 89 15.115 0.739 9.159 595 HB2 CYS 89 2HB CYS 89 14.994 2.968 7.109 596 HB3 CYS 89 3HB CYS 89 14.677 3.120 8.839 597 H ALA 90 H ALA 90 13.378 0.950 5.985 598 HA ALA 90 HA ALA 90 10.737 0.976 7.134 599 HB1 ALA 90 HB1 ALA 90 11.767 -0.114 4.471 600 HB2 ALA 90 HB2 ALA 90 10.062 0.165 4.883 601 HB3 ALA 90 HB3 ALA 90 11.173 1.536 4.775 602 H GLU 91 H GLU 91 13.096 -1.574 6.678 603 HA GLU 91 HA GLU 91 11.246 -3.675 7.563 604 HB2 GLU 91 HB2 GLU 91 14.096 -3.656 6.567 605 HB3 GLU 91 HB3 GLU 91 13.327 -5.111 7.199 606 HG2 GLU 91 HG2 GLU 91 12.186 -3.476 4.880 607 HG3 GLU 91 HG3 GLU 91 13.258 -4.858 4.689 608 H GLN 92 H GLN 92 13.152 -1.464 9.272 609 HA GLN 92 HA GLN 92 13.519 -3.252 11.599 610 HB2 GLN 92 HB2 GLN 92 15.224 -1.581 11.227 611 HB3 GLN 92 HB3 GLN 92 14.030 -0.297 11.147 612 HG2 GLN 92 HG2 GLN 92 15.220 -0.206 13.246 613 HG3 GLN 92 HG3 GLN 92 13.521 -0.526 13.533 614 HE21 GLN 92 HE21 GLN 92 14.766 -1.065 15.714 615 HE22 GLN 92 HE22 GLN 92 15.200 -2.757 15.891 616 H VAL 93 H VAL 93 11.422 -0.502 10.648 617 HA VAL 93 HA VAL 93 9.896 -0.822 13.167 618 HB VAL 93 HB VAL 93 10.947 1.343 12.640 619 HG11 VAL 93 HG11 VAL 93 9.978 2.880 11.054 620 HG12 VAL 93 HG12 VAL 93 10.477 1.426 10.177 621 HG13 VAL 93 HG13 VAL 93 8.763 1.696 10.551 622 HG21 VAL 93 HG21 VAL 93 7.916 1.454 12.900 623 HG22 VAL 93 HG22 VAL 93 9.074 1.169 14.224 624 HG23 VAL 93 HG23 VAL 93 9.079 2.710 13.359 Start of MODEL 3 1 H TYR 11 H TYR 11 0.741 15.517 -1.420 2 HA TYR 11 HA TYR 11 3.215 13.965 -0.880 3 HB2 TYR 11 HB2 TYR 11 1.950 12.880 0.865 4 HB3 TYR 11 HB3 TYR 11 1.861 14.612 1.064 5 HD1 TYR 11 HD2 TYR 11 -0.019 11.600 -0.119 6 HD2 TYR 11 HD1 TYR 11 -0.290 15.704 1.196 7 HE1 TYR 11 HE2 TYR 11 -2.498 11.403 0.007 8 HE2 TYR 11 HE1 TYR 11 -2.763 15.479 1.359 9 HH TYR 11 HH TYR 11 -4.562 14.031 1.215 10 H CYS 12 H CYS 12 3.035 11.583 -1.086 11 HA CYS 12 HA CYS 12 1.729 10.923 -3.662 12 HB2 CYS 12 2HB CYS 12 3.780 9.290 -2.158 13 HB3 CYS 12 3HB CYS 12 3.337 9.210 -3.866 14 H GLY 13 H GLY 13 0.302 9.272 -3.978 15 HA2 GLY 13 HA2 GLY 13 -1.184 8.329 -1.522 16 HA3 GLY 13 HA3 GLY 13 -1.919 9.177 -2.875 17 H ARG 14 H ARG 14 0.070 7.175 -4.537 18 HA ARG 14 HA ARG 14 -1.835 5.375 -5.438 19 HB2 ARG 14 HB2 ARG 14 0.102 3.822 -5.936 20 HB3 ARG 14 HB3 ARG 14 0.218 5.452 -6.639 21 HG2 ARG 14 HG2 ARG 14 1.973 5.931 -4.999 22 HG3 ARG 14 HG3 ARG 14 1.575 4.423 -4.131 23 HD2 ARG 14 HD2 ARG 14 3.581 4.068 -5.391 24 HD3 ARG 14 HD3 ARG 14 2.251 3.063 -5.975 25 HE ARG 14 HE ARG 14 2.325 5.574 -7.436 26 HH11 ARG 14 HH11 ARG 14 4.213 2.594 -7.442 27 HH12 ARG 14 HH12 ARG 14 4.779 2.918 -9.069 28 HH21 ARG 14 HH21 ARG 14 2.906 5.811 -9.386 29 HH22 ARG 14 HH22 ARG 14 3.992 4.686 -10.196 30 H GLU 15 H GLU 15 0.102 4.905 -2.543 31 HA GLU 15 HA GLU 15 -0.651 2.138 -2.286 32 HB2 GLU 15 HB2 GLU 15 1.504 3.154 -1.588 33 HB3 GLU 15 HB3 GLU 15 0.690 3.899 -0.216 34 HG2 GLU 15 HG2 GLU 15 0.562 0.904 -0.740 35 HG3 GLU 15 HG3 GLU 15 1.987 1.626 -0.029 36 H LEU 16 H LEU 16 -2.054 5.182 -1.150 37 HA LEU 16 HA LEU 16 -3.600 4.053 1.030 38 HB2 LEU 16 HB2 LEU 16 -2.934 6.463 0.849 39 HB3 LEU 16 HB3 LEU 16 -3.964 6.622 -0.573 40 HG LEU 16 HG LEU 16 -5.963 6.079 0.830 41 HD11 LEU 16 HD11 LEU 16 -4.926 4.788 2.648 42 HD12 LEU 16 HD12 LEU 16 -5.732 6.211 3.308 43 HD13 LEU 16 HD13 LEU 16 -3.965 6.204 3.137 44 HD21 LEU 16 HD21 LEU 16 -5.305 8.410 0.405 45 HD22 LEU 16 HD22 LEU 16 -4.250 8.389 1.835 46 HD23 LEU 16 HD23 LEU 16 -6.012 8.234 2.015 47 H GLU 17 H GLU 17 -4.225 4.789 -2.400 48 HA GLU 17 HA GLU 17 -6.924 3.747 -2.566 49 HB2 GLU 17 HB2 GLU 17 -5.641 5.067 -4.348 50 HB3 GLU 17 HB3 GLU 17 -4.644 3.639 -4.603 51 HG2 GLU 17 HG2 GLU 17 -6.953 2.451 -5.108 52 HG3 GLU 17 HG3 GLU 17 -7.535 4.096 -5.345 53 H GLN 18 H GLN 18 -3.769 2.109 -2.696 54 HA GLN 18 HA GLN 18 -5.042 -0.483 -3.161 55 HB2 GLN 18 HB2 GLN 18 -2.187 0.460 -2.941 56 HB3 GLN 18 HB3 GLN 18 -2.583 -1.259 -3.012 57 HG2 GLN 18 HG2 GLN 18 -3.583 0.773 -5.059 58 HG3 GLN 18 HG3 GLN 18 -2.111 -0.157 -5.285 59 HE21 GLN 18 HE21 GLN 18 -4.762 -0.155 -6.816 60 HE22 GLN 18 HE22 GLN 18 -5.221 -1.859 -6.806 61 H TYR 19 H TYR 19 -3.977 1.228 -0.268 62 HA TYR 19 HA TYR 19 -4.025 -0.969 1.518 63 HB2 TYR 19 HB2 TYR 19 -3.311 1.273 2.165 64 HB3 TYR 19 HB3 TYR 19 -4.922 1.911 1.891 65 HD1 TYR 19 HD1 TYR 19 -4.254 -1.328 3.673 66 HD2 TYR 19 HD2 TYR 19 -5.286 2.845 4.064 67 HE1 TYR 19 HE1 TYR 19 -4.750 -1.669 6.088 68 HE2 TYR 19 HE2 TYR 19 -5.773 2.495 6.469 69 HH TYR 19 HH TYR 19 -5.850 0.985 8.195 70 H GLY 20 H GLY 20 -6.721 1.097 0.311 71 HA2 GLY 20 HA2 GLY 20 -8.865 -0.234 1.613 72 HA3 GLY 20 HA3 GLY 20 -8.977 0.633 0.070 73 H GLN 21 H GLN 21 -7.415 -0.875 -1.615 74 HA GLN 21 HA GLN 21 -8.955 -3.190 -2.257 75 HB2 GLN 21 HB2 GLN 21 -6.120 -2.370 -2.996 76 HB3 GLN 21 HB3 GLN 21 -6.851 -3.798 -3.674 77 HG2 GLN 21 HG2 GLN 21 -8.016 -0.968 -3.921 78 HG3 GLN 21 HG3 GLN 21 -6.951 -1.713 -5.100 79 HE21 GLN 21 HE21 GLN 21 -8.917 -1.040 -6.414 80 HE22 GLN 21 HE22 GLN 21 -10.088 -2.331 -6.672 81 H CYS 22 H CYS 22 -5.843 -3.013 -0.489 82 HA CYS 22 HA CYS 22 -5.480 -5.829 -0.202 83 HB2 CYS 22 2HB CYS 22 -4.432 -3.392 1.280 84 HB3 CYS 22 3HB CYS 22 -3.972 -5.027 1.737 85 H VAL 23 H VAL 23 -6.787 -3.415 2.150 86 HA VAL 23 HA VAL 23 -7.326 -5.515 4.065 87 HB VAL 23 HB VAL 23 -6.595 -3.118 4.532 88 HG11 VAL 23 HG11 VAL 23 -9.574 -2.555 4.635 89 HG12 VAL 23 HG12 VAL 23 -8.233 -1.443 4.954 90 HG13 VAL 23 HG13 VAL 23 -8.524 -2.012 3.304 91 HG21 VAL 23 HG21 VAL 23 -8.827 -4.302 6.220 92 HG22 VAL 23 HG22 VAL 23 -7.113 -4.764 6.277 93 HG23 VAL 23 HG23 VAL 23 -7.604 -3.129 6.743 94 H ALA 24 H ALA 24 -9.259 -4.187 1.487 95 HA ALA 24 HA ALA 24 -11.739 -5.399 2.423 96 HB1 ALA 24 HB1 ALA 24 -11.758 -3.667 0.663 97 HB2 ALA 24 HB2 ALA 24 -10.770 -4.705 -0.388 98 HB3 ALA 24 HB3 ALA 24 -12.421 -5.190 0.046 99 H ALA 25 H ALA 25 -9.084 -6.555 0.274 100 HA ALA 25 HA ALA 25 -10.298 -9.058 -0.256 101 HB1 ALA 25 HB1 ALA 25 -7.356 -8.253 -0.315 102 HB2 ALA 25 HB2 ALA 25 -8.060 -9.692 -1.079 103 HB3 ALA 25 HB3 ALA 25 -8.531 -8.075 -1.637 104 H LYS 26 H LYS 26 -7.735 -8.296 2.156 105 HA LYS 26 HA LYS 26 -8.810 -10.234 4.029 106 HB2 LYS 26 HB2 LYS 26 -6.144 -10.826 2.684 107 HB3 LYS 26 HB3 LYS 26 -6.444 -11.316 4.344 108 HG2 LYS 26 HG2 LYS 26 -8.573 -12.465 3.514 109 HG3 LYS 26 HG3 LYS 26 -7.905 -12.280 1.876 110 HD2 LYS 26 HD2 LYS 26 -5.959 -13.622 2.454 111 HD3 LYS 26 HD3 LYS 26 -6.408 -13.613 4.170 112 HE2 LYS 26 HE2 LYS 26 -8.541 -14.771 3.599 113 HE3 LYS 26 HE3 LYS 26 -8.008 -14.898 1.916 114 HZ1 LYS 26 HZ1 LYS 26 -7.586 -16.866 3.346 115 HZ2 LYS 26 HZ2 LYS 26 -6.497 -16.010 4.215 116 HZ3 LYS 26 HZ3 LYS 26 -6.214 -16.306 2.609 117 HA PRO 27 HA PRO 27 -6.589 -7.622 7.040 118 HB2 PRO 27 HB2 PRO 27 -6.071 -10.274 8.392 119 HB3 PRO 27 HB3 PRO 27 -6.604 -8.725 9.112 120 HG2 PRO 27 HG2 PRO 27 -8.389 -10.721 8.685 121 HG3 PRO 27 HG3 PRO 27 -8.830 -9.026 8.292 122 HD2 PRO 27 HD2 PRO 27 -7.896 -11.207 6.408 123 HD3 PRO 27 HD3 PRO 27 -9.235 -10.037 6.212 124 H GLU 28 H GLU 28 -5.142 -10.833 6.184 125 HA GLU 28 HA GLU 28 -2.425 -9.975 6.483 126 HB2 GLU 28 HB2 GLU 28 -3.314 -12.263 6.787 127 HB3 GLU 28 HB3 GLU 28 -3.570 -12.392 5.039 128 HG2 GLU 28 HG2 GLU 28 -1.176 -12.263 4.643 129 HG3 GLU 28 HG3 GLU 28 -0.863 -11.869 6.340 130 H SER 29 H SER 29 -4.564 -9.446 3.806 131 HA SER 29 HA SER 29 -2.588 -9.379 1.697 132 HB2 SER 29 HB2 SER 29 -5.375 -8.343 2.046 133 HB3 SER 29 HB3 SER 29 -4.403 -7.744 0.691 134 HG SER 29 HG SER 29 -4.370 -9.662 -0.210 135 H TRP 30 H TRP 30 -3.135 -7.177 4.344 136 HA TRP 30 HA TRP 30 -1.982 -4.796 3.209 137 HB2 TRP 30 HB2 TRP 30 -3.166 -4.908 5.361 138 HB3 TRP 30 HB3 TRP 30 -1.914 -5.937 6.023 139 HD1 TRP 30 HD1 TRP 30 -2.629 -2.331 5.060 140 HE1 TRP 30 HE1 TRP 30 -0.995 -0.757 6.233 141 HE3 TRP 30 HE3 TRP 30 0.662 -5.814 6.891 142 HZ2 TRP 30 HZ2 TRP 30 1.378 -0.980 7.865 143 HZ3 TRP 30 HZ3 TRP 30 2.603 -5.094 8.253 144 HH2 TRP 30 HH2 TRP 30 2.979 -2.686 8.740 145 H GLN 31 H GLN 31 -0.490 -7.762 4.508 146 HA GLN 31 HA GLN 31 2.234 -6.834 3.806 147 HB2 GLN 31 HB2 GLN 31 1.880 -8.158 5.853 148 HB3 GLN 31 HB3 GLN 31 1.178 -9.465 4.909 149 HG2 GLN 31 HG2 GLN 31 3.424 -10.082 5.454 150 HG3 GLN 31 HG3 GLN 31 3.360 -9.788 3.729 151 HE21 GLN 31 HE21 GLN 31 5.677 -9.477 3.688 152 HE22 GLN 31 HE22 GLN 31 6.426 -8.056 4.385 153 H ARG 32 H ARG 32 -0.141 -9.309 2.696 154 HA ARG 32 HA ARG 32 1.732 -10.298 0.696 155 HB2 ARG 32 HB2 ARG 32 -1.112 -11.113 1.369 156 HB3 ARG 32 HB3 ARG 32 -0.100 -11.900 0.155 157 HG2 ARG 32 HG2 ARG 32 1.613 -12.386 1.922 158 HG3 ARG 32 HG3 ARG 32 0.470 -11.774 3.133 159 HD2 ARG 32 HD2 ARG 32 -1.234 -13.428 2.287 160 HD3 ARG 32 HD3 ARG 32 -0.038 -14.063 1.156 161 HE ARG 32 HE ARG 32 -0.292 -14.624 3.987 162 HH11 ARG 32 HH11 ARG 32 2.019 -14.720 1.331 163 HH12 ARG 32 HH12 ARG 32 2.964 -15.970 2.110 164 HH21 ARG 32 HH21 ARG 32 1.059 -16.041 4.985 165 HH22 ARG 32 HH22 ARG 32 2.473 -16.640 4.176 166 H ASP 33 H ASP 33 -0.802 -7.951 0.331 167 HA ASP 33 HA ASP 33 -0.498 -8.169 -2.640 168 HB2 ASP 33 HB2 ASP 33 -2.915 -7.437 -0.984 169 HB3 ASP 33 HB3 ASP 33 -2.798 -6.938 -2.666 170 H CYS 34 H CYS 34 0.060 -5.998 0.046 171 HA CYS 34 HA CYS 34 1.304 -4.218 -1.976 172 HB2 CYS 34 2HB CYS 34 0.284 -2.217 -0.790 173 HB3 CYS 34 3HB CYS 34 -0.785 -3.152 -1.823 174 H HIS 35 H HIS 35 3.163 -5.334 -1.021 175 HA HIS 35 HA HIS 35 4.247 -3.942 1.394 176 HB2 HIS 35 2HB HIS 35 4.617 -6.370 1.208 177 HB3 HIS 35 3HB HIS 35 5.410 -6.149 -0.353 178 HD1 HIS 35 1HD HIS 35 7.977 -5.366 -0.258 179 HD2 HIS 35 2HD HIS 35 5.925 -5.393 3.421 180 HE1 HIS 35 1HE HIS 35 9.733 -4.975 1.541 181 H TYR 36 H TYR 36 5.213 -4.388 -2.039 182 HA TYR 36 HA TYR 36 7.396 -2.534 -1.673 183 HB2 TYR 36 HB2 TYR 36 6.271 -3.912 -4.131 184 HB3 TYR 36 HB3 TYR 36 7.767 -2.980 -4.096 185 HD1 TYR 36 HD2 TYR 36 9.634 -3.661 -2.516 186 HD2 TYR 36 HD1 TYR 36 6.234 -6.203 -3.291 187 HE1 TYR 36 HE2 TYR 36 10.796 -5.544 -1.404 188 HE2 TYR 36 HE1 TYR 36 7.401 -8.092 -2.162 189 HH TYR 36 HH TYR 36 10.539 -7.624 -0.499 190 H LEU 37 H LEU 37 4.115 -2.091 -2.582 191 HA LEU 37 HA LEU 37 4.280 0.574 -3.673 192 HB2 LEU 37 HB2 LEU 37 2.135 -1.007 -2.204 193 HB3 LEU 37 HB3 LEU 37 1.914 0.678 -2.663 194 HG LEU 37 HG LEU 37 2.134 0.191 -5.010 195 HD11 LEU 37 HD11 LEU 37 2.415 -2.742 -4.218 196 HD12 LEU 37 HD12 LEU 37 3.624 -1.759 -5.091 197 HD13 LEU 37 HD13 LEU 37 2.093 -2.151 -5.859 198 HD21 LEU 37 HD21 LEU 37 0.185 -1.673 -3.612 199 HD22 LEU 37 HD22 LEU 37 0.064 -1.079 -5.280 200 HD23 LEU 37 HD23 LEU 37 -0.050 0.066 -3.932 201 H LYS 38 H LYS 38 4.319 -0.649 -0.277 202 HA LYS 38 HA LYS 38 4.015 1.964 0.989 203 HB2 LYS 38 HB2 LYS 38 5.239 -0.630 2.043 204 HB3 LYS 38 HB3 LYS 38 4.963 0.815 2.998 205 HG2 LYS 38 HG2 LYS 38 2.597 0.669 2.783 206 HG3 LYS 38 HG3 LYS 38 2.703 -0.629 1.572 207 HD2 LYS 38 HD2 LYS 38 3.576 -2.191 3.202 208 HD3 LYS 38 HD3 LYS 38 3.784 -0.913 4.406 209 HE2 LYS 38 HE2 LYS 38 1.821 -2.326 4.881 210 HE3 LYS 38 HE3 LYS 38 1.409 -0.619 4.654 211 HZ1 LYS 38 HZ1 LYS 38 0.673 -1.118 2.428 212 HZ2 LYS 38 HZ2 LYS 38 -0.138 -2.047 3.472 213 HZ3 LYS 38 HZ3 LYS 38 1.083 -2.717 2.568 214 H MET 39 H MET 39 6.788 -0.095 0.196 215 HA MET 39 HA MET 39 8.857 1.778 0.836 216 HB2 MET 39 HB2 MET 39 8.768 -0.364 -1.329 217 HB3 MET 39 HB3 MET 39 10.221 0.500 -0.823 218 HG2 MET 39 HG2 MET 39 10.098 -0.440 1.402 219 HG3 MET 39 HG3 MET 39 8.508 -1.136 1.082 220 HE1 MET 39 HE1 MET 39 12.370 -1.428 0.488 221 HE2 MET 39 HE2 MET 39 12.478 -2.744 -0.699 222 HE3 MET 39 HE3 MET 39 11.828 -1.168 -1.188 223 H SER 40 H SER 40 7.100 1.327 -2.289 224 HA SER 40 HA SER 40 8.465 3.268 -3.776 225 HB2 SER 40 HB2 SER 40 6.824 1.546 -4.635 226 HB3 SER 40 HB3 SER 40 5.513 2.600 -4.079 227 HG SER 40 HG SER 40 7.217 2.790 -6.232 228 H ILE 41 H ILE 41 5.462 3.772 -1.794 229 HA ILE 41 HA ILE 41 5.490 6.604 -2.421 230 HB ILE 41 HB ILE 41 3.713 6.936 -0.901 231 HG12 ILE 41 HG12 ILE 41 3.361 4.030 -0.228 232 HG13 ILE 41 HG13 ILE 41 4.528 4.939 0.716 233 HG21 ILE 41 HG21 ILE 41 2.007 5.631 -2.116 234 HG22 ILE 41 HG22 ILE 41 3.283 6.170 -3.203 235 HG23 ILE 41 HG23 ILE 41 3.237 4.488 -2.667 236 HD11 ILE 41 HD11 ILE 41 2.895 6.571 1.396 237 HD12 ILE 41 HD12 ILE 41 1.664 5.869 0.330 238 HD13 ILE 41 HD13 ILE 41 2.263 4.947 1.730 239 H ALA 42 H ALA 42 6.854 4.765 0.346 240 HA ALA 42 HA ALA 42 7.488 7.070 1.937 241 HB1 ALA 42 HB1 ALA 42 8.938 4.391 1.648 242 HB2 ALA 42 HB2 ALA 42 9.218 5.585 2.931 243 HB3 ALA 42 HB3 ALA 42 7.651 4.773 2.808 244 H GLN 43 H GLN 43 9.349 5.369 -0.618 245 HA GLN 43 HA GLN 43 11.520 7.244 -0.697 246 HB2 GLN 43 HB2 GLN 43 10.425 5.287 -2.752 247 HB3 GLN 43 HB3 GLN 43 11.966 6.135 -2.916 248 HG2 GLN 43 HG2 GLN 43 12.931 4.984 -1.035 249 HG3 GLN 43 HG3 GLN 43 11.381 4.336 -0.518 250 HE21 GLN 43 HE21 GLN 43 12.455 2.116 -0.614 251 HE22 GLN 43 HE22 GLN 43 12.605 1.405 -2.207 252 H CYS 44 H CYS 44 8.303 7.371 -2.153 253 HA CYS 44 HA CYS 44 8.874 9.595 -3.939 254 HB2 CYS 44 2HB CYS 44 7.064 7.933 -4.245 255 HB3 CYS 44 3HB CYS 44 6.246 8.568 -2.822 256 H THR 45 H THR 45 7.668 9.366 -0.528 257 HA THR 45 HA THR 45 7.517 12.237 -0.159 258 HB THR 45 HB THR 45 8.202 10.184 1.978 259 HG1 THR 45 HG1 THR 45 6.121 9.841 2.228 260 HG21 THR 45 HG21 THR 45 6.816 12.908 1.999 261 HG22 THR 45 HG22 THR 45 8.364 12.502 2.766 262 HG23 THR 45 HG23 THR 45 6.856 11.812 3.387 263 H SER 46 H SER 46 10.159 9.855 0.214 264 HA SER 46 HA SER 46 12.152 11.775 0.973 265 HB2 SER 46 HB2 SER 46 12.515 8.998 -0.145 266 HB3 SER 46 HB3 SER 46 13.735 9.952 0.713 267 HG SER 46 HG SER 46 12.307 8.321 1.878 268 H SER 47 H SER 47 10.711 12.295 -1.701 269 HA SER 47 HA SER 47 12.586 11.932 -3.829 270 HB2 SER 47 HB2 SER 47 10.103 12.272 -3.977 271 HB3 SER 47 HB3 SER 47 10.380 14.003 -3.702 272 HG SER 47 HG SER 47 11.277 12.319 -5.830 273 H HIS 48 H HIS 48 12.510 14.415 -1.354 274 HA HIS 48 HA HIS 48 14.863 15.726 -2.659 275 HB2 HIS 48 2HB HIS 48 12.900 17.158 -2.554 276 HB3 HIS 48 3HB HIS 48 12.802 16.943 -0.809 277 HD1 HIS 48 1HD HIS 48 15.648 18.146 -3.196 278 HD2 HIS 48 2HD HIS 48 13.681 19.005 0.421 279 HE1 HIS 48 1HE HIS 48 16.636 20.336 -2.339 280 HA PRO 49 HA PRO 49 16.175 13.496 1.115 281 HB2 PRO 49 HB2 PRO 49 18.361 12.200 0.190 282 HB3 PRO 49 HB3 PRO 49 16.702 11.754 -0.295 283 HG2 PRO 49 HG2 PRO 49 18.653 13.541 -1.795 284 HG3 PRO 49 HG3 PRO 49 17.738 12.126 -2.422 285 HD2 PRO 49 HD2 PRO 49 16.858 14.690 -2.724 286 HD3 PRO 49 HD3 PRO 49 15.738 13.320 -2.472 287 H ILE 50 H ILE 50 17.336 16.290 0.003 288 HA ILE 50 HA ILE 50 18.435 17.988 0.890 289 HB ILE 50 HB ILE 50 18.797 16.434 3.448 290 HG12 ILE 50 HG12 ILE 50 16.455 16.156 2.909 291 HG13 ILE 50 HG13 ILE 50 16.645 17.289 4.226 292 HG21 ILE 50 HG21 ILE 50 18.540 18.698 4.472 293 HG22 ILE 50 HG22 ILE 50 19.961 18.569 3.439 294 HG23 ILE 50 HG23 ILE 50 18.522 19.411 2.848 295 HD11 ILE 50 HD11 ILE 50 16.201 19.191 2.715 296 HD12 ILE 50 HD12 ILE 50 16.122 18.075 1.331 297 HD13 ILE 50 HD13 ILE 50 14.903 17.993 2.613 298 H ILE 51 H ILE 51 20.389 15.112 1.868 299 HA ILE 51 HA ILE 51 22.847 16.545 0.988 300 HB ILE 51 HB ILE 51 23.927 15.711 3.194 301 HG12 ILE 51 HG12 ILE 51 21.068 15.948 4.215 302 HG13 ILE 51 HG13 ILE 51 21.972 14.442 4.043 303 HG21 ILE 51 HG21 ILE 51 23.627 17.873 4.191 304 HG22 ILE 51 HG22 ILE 51 23.688 18.055 2.446 305 HG23 ILE 51 HG23 ILE 51 22.126 18.146 3.288 306 HD11 ILE 51 HD11 ILE 51 23.695 15.379 5.650 307 HD12 ILE 51 HD12 ILE 51 22.593 16.751 5.922 308 HD13 ILE 51 HD13 ILE 51 22.083 15.116 6.343 309 H ARG 52 H ARG 52 24.467 15.425 0.287 310 HA ARG 52 HA ARG 52 24.368 12.534 -0.194 311 HB2 ARG 52 HB2 ARG 52 25.269 14.155 -1.809 312 HB3 ARG 52 HB3 ARG 52 26.487 14.679 -0.643 313 HG2 ARG 52 HG2 ARG 52 27.573 12.489 -0.717 314 HG3 ARG 52 HG3 ARG 52 26.334 11.865 -1.817 315 HD2 ARG 52 HD2 ARG 52 28.081 14.283 -2.487 316 HD3 ARG 52 HD3 ARG 52 28.606 12.637 -2.786 317 HE ARG 52 HE ARG 52 27.081 12.372 -4.517 318 HH11 ARG 52 HH11 ARG 52 26.766 15.655 -3.253 319 HH12 ARG 52 HH12 ARG 52 25.592 16.069 -4.476 320 HH21 ARG 52 HH21 ARG 52 25.599 13.002 -6.015 321 HH22 ARG 52 HH22 ARG 52 25.125 14.690 -6.101 322 H GLN 53 H GLN 53 25.922 14.627 2.202 323 HA GLN 53 HA GLN 53 27.969 13.081 3.144 324 HB2 GLN 53 HB2 GLN 53 27.287 15.356 3.880 325 HB3 GLN 53 HB3 GLN 53 26.015 14.668 4.882 326 HG2 GLN 53 HG2 GLN 53 28.951 13.897 5.188 327 HG3 GLN 53 HG3 GLN 53 28.307 15.354 5.918 328 HE21 GLN 53 HE21 GLN 53 29.447 13.757 7.621 329 HE22 GLN 53 HE22 GLN 53 28.285 12.898 8.623 330 H ILE 54 H ILE 54 24.520 12.540 4.003 331 HA ILE 54 HA ILE 54 25.168 10.396 5.836 332 HB ILE 54 HB ILE 54 22.822 9.932 5.966 333 HG12 ILE 54 HG12 ILE 54 22.477 11.899 3.667 334 HG13 ILE 54 HG13 ILE 54 22.120 10.169 3.639 335 HG21 ILE 54 HG21 ILE 54 23.910 11.874 7.172 336 HG22 ILE 54 HG22 ILE 54 23.253 12.947 5.930 337 HG23 ILE 54 HG23 ILE 54 22.165 12.016 6.980 338 HD11 ILE 54 HD11 ILE 54 20.658 12.297 5.238 339 HD12 ILE 54 HD12 ILE 54 20.052 11.382 3.858 340 HD13 ILE 54 HD13 ILE 54 20.365 10.547 5.394 341 H ARG 55 H ARG 55 24.561 10.430 2.335 342 HA ARG 55 HA ARG 55 24.357 7.529 2.088 343 HB2 ARG 55 HB2 ARG 55 25.065 9.558 -0.063 344 HB3 ARG 55 HB3 ARG 55 24.694 7.847 -0.290 345 HG2 ARG 55 HG2 ARG 55 22.442 8.440 0.968 346 HG3 ARG 55 HG3 ARG 55 22.834 10.094 0.480 347 HD2 ARG 55 HD2 ARG 55 22.495 7.673 -1.345 348 HD3 ARG 55 HD3 ARG 55 21.315 8.956 -1.107 349 HE ARG 55 HE ARG 55 22.942 10.549 -2.142 350 HH11 ARG 55 HH11 ARG 55 23.271 7.152 -3.083 351 HH12 ARG 55 HH12 ARG 55 23.853 7.659 -4.669 352 HH21 ARG 55 HH21 ARG 55 23.666 10.976 -4.093 353 HH22 ARG 55 HH22 ARG 55 24.051 9.666 -5.217 354 H GLN 56 H GLN 56 27.053 9.688 2.443 355 HA GLN 56 HA GLN 56 29.060 7.763 1.658 356 HB2 GLN 56 HB2 GLN 56 29.357 10.008 3.689 357 HB3 GLN 56 HB3 GLN 56 30.642 9.131 2.866 358 HG2 GLN 56 HG2 GLN 56 29.768 9.993 0.666 359 HG3 GLN 56 HG3 GLN 56 28.627 11.004 1.555 360 HE21 GLN 56 HE21 GLN 56 31.667 11.026 0.108 361 HE22 GLN 56 HE22 GLN 56 32.367 12.371 1.007 362 H ALA 57 H ALA 57 27.002 7.874 4.498 363 HA ALA 57 HA ALA 57 28.614 5.696 5.767 364 HB1 ALA 57 HB1 ALA 57 28.451 7.601 7.222 365 HB2 ALA 57 HB2 ALA 57 26.687 7.672 7.027 366 HB3 ALA 57 HB3 ALA 57 27.444 6.295 7.856 367 H CYS 58 H CYS 58 25.194 6.683 5.650 368 HA CYS 58 HA CYS 58 23.353 5.610 6.256 369 HB2 CYS 58 2HB CYS 58 24.108 4.070 3.782 370 HB3 CYS 58 3HB CYS 58 22.537 3.971 4.596 371 H ALA 59 H ALA 59 23.670 4.925 8.239 372 HA ALA 59 HA ALA 59 24.921 2.739 9.322 373 HB1 ALA 59 HB1 ALA 59 22.308 4.093 10.120 374 HB2 ALA 59 HB2 ALA 59 23.292 3.077 11.187 375 HB3 ALA 59 HB3 ALA 59 23.961 4.585 10.558 376 H GLN 60 H GLN 60 21.814 2.527 7.598 377 HA GLN 60 HA GLN 60 21.199 -0.128 8.699 378 HB2 GLN 60 HB2 GLN 60 19.881 1.671 6.637 379 HB3 GLN 60 HB3 GLN 60 19.419 -0.021 6.785 380 HG2 GLN 60 HG2 GLN 60 17.908 1.455 8.018 381 HG3 GLN 60 HG3 GLN 60 18.713 0.316 9.081 382 HE21 GLN 60 HE21 GLN 60 19.786 1.142 10.861 383 HE22 GLN 60 HE22 GLN 60 19.964 2.890 11.136 384 HA PRO 61 HA PRO 61 22.990 -1.713 4.465 385 HB2 PRO 61 HB2 PRO 61 24.491 0.854 3.878 386 HB3 PRO 61 HB3 PRO 61 23.956 -0.430 2.743 387 HG2 PRO 61 HG2 PRO 61 22.556 1.876 2.970 388 HG3 PRO 61 HG3 PRO 61 21.703 0.303 2.852 389 HD2 PRO 61 HD2 PRO 61 22.174 1.986 5.296 390 HD3 PRO 61 HD3 PRO 61 20.777 0.983 4.822 391 H PHE 62 H PHE 62 24.684 0.661 6.602 392 HA PHE 62 HA PHE 62 27.225 -0.493 6.499 393 HB2 PHE 62 HB2 PHE 62 26.217 1.671 7.690 394 HB3 PHE 62 HB3 PHE 62 26.274 0.656 9.107 395 HD1 PHE 62 HD2 PHE 62 28.787 -0.699 9.167 396 HD2 PHE 62 HD1 PHE 62 27.913 3.167 7.465 397 HE1 PHE 62 HE2 PHE 62 31.178 -0.069 9.350 398 HE2 PHE 62 HE1 PHE 62 30.313 3.794 7.662 399 HZ PHE 62 HZ PHE 62 31.943 2.174 8.594 400 H GLU 63 H GLU 63 24.653 -1.335 8.863 401 HA GLU 63 HA GLU 63 26.082 -3.374 10.209 402 HB2 GLU 63 HB2 GLU 63 23.919 -2.333 10.916 403 HB3 GLU 63 HB3 GLU 63 23.094 -3.238 9.637 404 HG2 GLU 63 HG2 GLU 63 23.925 -5.381 10.714 405 HG3 GLU 63 HG3 GLU 63 24.622 -4.400 12.006 406 H ALA 64 H ALA 64 24.166 -3.568 7.206 407 HA ALA 64 HA ALA 64 24.493 -6.481 6.976 408 HB1 ALA 64 HB1 ALA 64 23.252 -6.164 4.869 409 HB2 ALA 64 HB2 ALA 64 22.472 -5.258 6.177 410 HB3 ALA 64 HB3 ALA 64 23.471 -4.405 4.979 411 H PHE 65 H PHE 65 26.538 -3.863 5.881 412 HA PHE 65 HA PHE 65 27.970 -5.875 4.190 413 HB2 PHE 65 HB2 PHE 65 28.063 -2.870 3.999 414 HB3 PHE 65 HB3 PHE 65 28.987 -4.022 3.020 415 HD1 PHE 65 HD1 PHE 65 27.401 -6.049 2.058 416 HD2 PHE 65 HD2 PHE 65 26.128 -2.028 2.901 417 HE1 PHE 65 HE1 PHE 65 25.423 -6.378 0.593 418 HE2 PHE 65 HE2 PHE 65 24.163 -2.351 1.434 419 HZ PHE 65 HZ PHE 65 23.791 -4.540 0.298 420 H GLU 66 H GLU 66 28.391 -3.987 7.127 421 HA GLU 66 HA GLU 66 31.140 -4.882 7.402 422 HB2 GLU 66 HB2 GLU 66 31.070 -4.190 9.546 423 HB3 GLU 66 HB3 GLU 66 29.981 -3.064 8.778 424 HG2 GLU 66 HG2 GLU 66 28.058 -4.295 9.744 425 HG3 GLU 66 HG3 GLU 66 29.151 -5.496 10.435 426 H GLU 67 H GLU 67 27.993 -6.439 7.796 427 HA GLU 67 HA GLU 67 28.809 -8.803 9.122 428 HB2 GLU 67 HB2 GLU 67 26.425 -7.983 8.528 429 HB3 GLU 67 HB3 GLU 67 26.708 -8.671 6.936 430 HG2 GLU 67 HG2 GLU 67 25.540 -10.321 8.086 431 HG3 GLU 67 HG3 GLU 67 27.203 -10.900 8.153 432 H CYS 68 H CYS 68 28.799 -8.039 5.620 433 HA CYS 68 HA CYS 68 29.650 -10.515 4.626 434 HB2 CYS 68 2HB CYS 68 30.433 -7.766 3.582 435 HB3 CYS 68 3HB CYS 68 30.602 -9.285 2.709 436 H LEU 69 H LEU 69 31.906 -7.885 5.623 437 HA LEU 69 HA LEU 69 34.304 -9.418 5.554 438 HB2 LEU 69 HB2 LEU 69 33.503 -6.781 6.855 439 HB3 LEU 69 HB3 LEU 69 35.114 -7.466 6.985 440 HG LEU 69 HG LEU 69 35.391 -7.369 4.526 441 HD11 LEU 69 HD11 LEU 69 32.824 -5.712 4.600 442 HD12 LEU 69 HD12 LEU 69 33.056 -7.238 3.712 443 HD13 LEU 69 HD13 LEU 69 33.958 -5.808 3.234 444 HD21 LEU 69 HD21 LEU 69 36.272 -5.634 6.037 445 HD22 LEU 69 HD22 LEU 69 34.746 -4.734 5.913 446 HD23 LEU 69 HD23 LEU 69 35.786 -4.943 4.487 447 H ARG 70 H ARG 70 31.794 -9.313 7.977 448 HA ARG 70 HA ARG 70 33.511 -10.154 10.217 449 HB2 ARG 70 HB2 ARG 70 31.513 -8.734 10.532 450 HB3 ARG 70 HB3 ARG 70 30.510 -9.999 9.835 451 HG2 ARG 70 HG2 ARG 70 31.289 -11.479 11.837 452 HG3 ARG 70 HG3 ARG 70 31.841 -9.942 12.549 453 HD2 ARG 70 HD2 ARG 70 29.532 -9.011 12.117 454 HD3 ARG 70 HD3 ARG 70 29.054 -10.597 11.493 455 HE ARG 70 HE ARG 70 30.079 -10.823 14.194 456 HH11 ARG 70 HH11 ARG 70 27.105 -9.909 12.431 457 HH12 ARG 70 HH12 ARG 70 26.163 -10.286 13.881 458 HH21 ARG 70 HH21 ARG 70 28.766 -11.213 15.816 459 HH22 ARG 70 HH22 ARG 70 27.024 -10.913 15.670 460 H GLN 71 H GLN 71 30.987 -11.697 8.225 461 HA GLN 71 HA GLN 71 31.516 -14.332 9.459 462 HB2 GLN 71 HB2 GLN 71 29.390 -13.229 7.599 463 HB3 GLN 71 HB3 GLN 71 29.495 -14.943 7.971 464 HG2 GLN 71 HG2 GLN 71 29.240 -12.868 10.191 465 HG3 GLN 71 HG3 GLN 71 27.851 -13.509 9.324 466 HE21 GLN 71 HE21 GLN 71 26.958 -14.543 11.225 467 HE22 GLN 71 HE22 GLN 71 27.666 -16.065 11.753 468 H ASN 72 H ASN 72 32.104 -12.793 6.281 469 HA ASN 72 HA ASN 72 33.627 -15.185 5.487 470 HB2 ASN 72 HB2 ASN 72 31.192 -14.170 3.983 471 HB3 ASN 72 HB3 ASN 72 32.435 -15.109 3.202 472 HD21 ASN 72 HD21 ASN 72 32.927 -17.292 4.152 473 HD22 ASN 72 HD22 ASN 72 31.550 -18.200 4.743 474 H GLU 73 H GLU 73 35.067 -13.163 6.166 475 HA GLU 73 HA GLU 73 35.346 -10.939 4.502 476 HB2 GLU 73 HB2 GLU 73 37.388 -10.512 5.579 477 HB3 GLU 73 HB3 GLU 73 36.370 -11.327 6.758 478 HG2 GLU 73 HG2 GLU 73 37.599 -13.464 6.294 479 HG3 GLU 73 HG3 GLU 73 38.700 -12.559 5.250 480 H ALA 74 H ALA 74 36.293 -14.207 3.698 481 HA ALA 74 HA ALA 74 38.233 -13.488 1.596 482 HB1 ALA 74 HB1 ALA 74 38.434 -15.513 3.092 483 HB2 ALA 74 HB2 ALA 74 36.989 -16.170 2.281 484 HB3 ALA 74 HB3 ALA 74 38.469 -15.872 1.352 485 H ALA 75 H ALA 75 34.811 -13.751 1.798 486 HA ALA 75 HA ALA 75 34.510 -14.272 -1.131 487 HB1 ALA 75 HB1 ALA 75 32.398 -14.438 1.036 488 HB2 ALA 75 HB2 ALA 75 32.275 -14.983 -0.643 489 HB3 ALA 75 HB3 ALA 75 33.368 -15.826 0.473 490 H VAL 76 H VAL 76 35.069 -11.611 0.537 491 HA VAL 76 HA VAL 76 32.708 -10.079 0.241 492 HB VAL 76 HB VAL 76 34.063 -8.106 0.856 493 HG11 VAL 76 HG11 VAL 76 34.683 -8.972 3.084 494 HG12 VAL 76 HG12 VAL 76 33.090 -9.544 2.554 495 HG13 VAL 76 HG13 VAL 76 34.491 -10.628 2.490 496 HG21 VAL 76 HG21 VAL 76 36.414 -10.035 0.813 497 HG22 VAL 76 HG22 VAL 76 36.184 -8.632 -0.238 498 HG23 VAL 76 HG23 VAL 76 36.415 -8.396 1.499 499 H GLY 77 H GLY 77 34.893 -10.907 -2.256 500 HA2 GLY 77 HA2 GLY 77 34.383 -8.854 -4.180 501 HA3 GLY 77 HA3 GLY 77 34.523 -10.593 -4.497 502 H ASN 78 H ASN 78 32.257 -11.372 -2.809 503 HA ASN 78 HA ASN 78 29.946 -10.894 -4.475 504 HB2 ASN 78 HB2 ASN 78 30.353 -12.940 -3.062 505 HB3 ASN 78 HB3 ASN 78 30.122 -11.948 -1.622 506 HD21 ASN 78 HD21 ASN 78 28.198 -12.678 -0.797 507 HD22 ASN 78 HD22 ASN 78 26.720 -12.806 -1.769 508 H CYS 79 H CYS 79 30.782 -9.692 -1.147 509 HA CYS 79 HA CYS 79 29.588 -7.109 -1.863 510 HB2 CYS 79 2HB CYS 79 28.278 -7.052 0.286 511 HB3 CYS 79 3HB CYS 79 27.656 -8.099 -0.973 512 H ALA 80 H ALA 80 30.696 -5.463 -1.102 513 HA ALA 80 HA ALA 80 32.262 -5.604 1.394 514 HB1 ALA 80 HB1 ALA 80 33.369 -4.641 -1.279 515 HB2 ALA 80 HB2 ALA 80 34.195 -4.561 0.289 516 HB3 ALA 80 HB3 ALA 80 33.846 -6.133 -0.443 517 H GLU 81 H GLU 81 32.903 -3.303 2.076 518 HA GLU 81 HA GLU 81 30.184 -2.354 2.250 519 HB2 GLU 81 HB2 GLU 81 30.894 -1.166 4.262 520 HB3 GLU 81 HB3 GLU 81 31.242 -2.877 4.242 521 HG2 GLU 81 HG2 GLU 81 33.087 -1.907 5.281 522 HG3 GLU 81 HG3 GLU 81 33.651 -2.360 3.682 523 H HIS 82 H HIS 82 33.126 -0.684 1.037 524 HA HIS 82 HA HIS 82 31.816 1.834 1.228 525 HB2 HIS 82 2HB HIS 82 34.267 1.595 1.132 526 HB3 HIS 82 3HB HIS 82 34.172 0.905 -0.482 527 HD1 HIS 82 1HD HIS 82 34.111 2.577 -2.481 528 HD2 HIS 82 2HD HIS 82 33.619 4.326 1.316 529 HE1 HIS 82 1HE HIS 82 34.155 5.116 -2.847 530 H MET 83 H MET 83 31.861 -0.414 -1.542 531 HA MET 83 HA MET 83 30.277 1.503 -3.145 532 HB2 MET 83 HB2 MET 83 31.873 -0.035 -4.205 533 HB3 MET 83 HB3 MET 83 30.921 -1.427 -3.673 534 HG2 MET 83 HG2 MET 83 29.742 0.777 -5.398 535 HG3 MET 83 HG3 MET 83 30.672 -0.549 -6.082 536 HE1 MET 83 HE1 MET 83 28.902 -1.294 -7.704 537 HE2 MET 83 HE2 MET 83 27.201 -1.601 -7.301 538 HE3 MET 83 HE3 MET 83 27.855 0.047 -7.185 539 H ARG 84 H ARG 84 29.616 -1.588 -1.386 540 HA ARG 84 HA ARG 84 26.867 -1.595 -2.237 541 HB2 ARG 84 HB2 ARG 84 28.122 -3.107 0.068 542 HB3 ARG 84 HB3 ARG 84 26.557 -3.424 -0.660 543 HG2 ARG 84 HG2 ARG 84 29.185 -3.706 -2.174 544 HG3 ARG 84 HG3 ARG 84 28.324 -5.005 -1.348 545 HD2 ARG 84 HD2 ARG 84 26.315 -4.480 -2.821 546 HD3 ARG 84 HD3 ARG 84 27.371 -3.426 -3.766 547 HE ARG 84 HE ARG 84 27.469 -6.393 -3.485 548 HH11 ARG 84 HH11 ARG 84 28.550 -3.644 -5.387 549 HH12 ARG 84 HH12 ARG 84 29.143 -4.701 -6.641 550 HH21 ARG 84 HH21 ARG 84 28.695 -7.580 -4.829 551 HH22 ARG 84 HH22 ARG 84 29.450 -6.848 -6.235 552 H ARG 85 H ARG 85 28.366 -0.067 0.653 553 HA ARG 85 HA ARG 85 25.813 0.381 1.976 554 HB2 ARG 85 HB2 ARG 85 28.465 1.858 2.149 555 HB3 ARG 85 HB3 ARG 85 27.042 2.290 3.099 556 HG2 ARG 85 HG2 ARG 85 26.986 0.047 4.112 557 HG3 ARG 85 HG3 ARG 85 28.437 -0.420 3.251 558 HD2 ARG 85 HD2 ARG 85 28.164 1.775 5.344 559 HD3 ARG 85 HD3 ARG 85 28.944 0.212 5.562 560 HE ARG 85 HE ARG 85 30.877 0.946 4.507 561 HH11 ARG 85 HH11 ARG 85 28.516 3.551 4.391 562 HH12 ARG 85 HH12 ARG 85 29.732 4.692 3.865 563 HH21 ARG 85 HH21 ARG 85 32.292 2.371 3.998 564 HH22 ARG 85 HH22 ARG 85 31.864 4.057 3.681 565 H PHE 86 H PHE 86 27.691 2.325 -0.336 566 HA PHE 86 HA PHE 86 25.826 4.497 -0.477 567 HB2 PHE 86 HB2 PHE 86 28.232 4.533 -1.120 568 HB3 PHE 86 HB3 PHE 86 27.878 3.512 -2.501 569 HD1 PHE 86 HD2 PHE 86 27.345 6.868 -0.987 570 HD2 PHE 86 HD1 PHE 86 26.996 4.464 -4.545 571 HE1 PHE 86 HE2 PHE 86 26.982 8.923 -2.339 572 HE2 PHE 86 HE1 PHE 86 26.656 6.517 -5.894 573 HZ PHE 86 HZ PHE 86 26.657 8.750 -4.798 574 H LEU 87 H LEU 87 26.173 1.520 -2.465 575 HA LEU 87 HA LEU 87 24.159 2.061 -4.350 576 HB2 LEU 87 HB2 LEU 87 25.862 0.278 -4.530 577 HB3 LEU 87 HB3 LEU 87 25.109 -0.582 -3.187 578 HG LEU 87 HG LEU 87 23.016 -0.847 -4.576 579 HD11 LEU 87 HD11 LEU 87 23.328 0.994 -6.188 580 HD12 LEU 87 HD12 LEU 87 23.225 -0.556 -7.026 581 HD13 LEU 87 HD13 LEU 87 24.808 0.219 -6.807 582 HD21 LEU 87 HD21 LEU 87 23.944 -2.622 -5.961 583 HD22 LEU 87 HD22 LEU 87 24.678 -2.632 -4.356 584 HD23 LEU 87 HD23 LEU 87 25.580 -1.979 -5.740 585 H GLN 88 H GLN 88 23.746 0.127 -1.289 586 HA GLN 88 HA GLN 88 20.891 -0.185 -1.732 587 HB2 GLN 88 HB2 GLN 88 22.696 -0.569 0.670 588 HB3 GLN 88 HB3 GLN 88 20.950 -0.749 0.797 589 HG2 GLN 88 HG2 GLN 88 22.690 -2.362 -1.110 590 HG3 GLN 88 HG3 GLN 88 22.130 -2.903 0.473 591 HE21 GLN 88 HE21 GLN 88 21.488 -4.527 -1.673 592 HE22 GLN 88 HE22 GLN 88 19.786 -4.304 -2.065 593 H CYS 89 H CYS 89 22.757 2.459 -0.463 594 HA CYS 89 HA CYS 89 20.342 3.813 0.516 595 HB2 CYS 89 2HB CYS 89 22.885 3.850 1.453 596 HB3 CYS 89 3HB CYS 89 22.891 5.316 0.468 597 H ALA 90 H ALA 90 21.899 3.552 -2.540 598 HA ALA 90 HA ALA 90 20.602 6.010 -3.560 599 HB1 ALA 90 HB1 ALA 90 21.937 3.701 -5.040 600 HB2 ALA 90 HB2 ALA 90 21.430 5.256 -5.725 601 HB3 ALA 90 HB3 ALA 90 22.745 5.198 -4.535 602 H GLU 91 H GLU 91 20.135 2.446 -3.737 603 HA GLU 91 HA GLU 91 17.728 2.558 -5.272 604 HB2 GLU 91 HB2 GLU 91 19.351 0.644 -5.037 605 HB3 GLU 91 HB3 GLU 91 18.675 0.321 -3.435 606 HG2 GLU 91 HG2 GLU 91 16.454 -0.072 -4.463 607 HG3 GLU 91 HG3 GLU 91 17.107 0.316 -6.061 608 H GLN 92 H GLN 92 18.216 2.381 -1.760 609 HA GLN 92 HA GLN 92 15.411 3.216 -1.303 610 HB2 GLN 92 HB2 GLN 92 15.668 0.907 -0.596 611 HB3 GLN 92 HB3 GLN 92 17.006 1.387 0.457 612 HG2 GLN 92 HG2 GLN 92 15.627 2.178 2.084 613 HG3 GLN 92 HG3 GLN 92 14.575 2.991 0.930 614 HE21 GLN 92 HE21 GLN 92 15.175 -0.196 2.515 615 HE22 GLN 92 HE22 GLN 92 13.480 -0.639 2.425 616 H VAL 93 H VAL 93 17.407 4.966 -1.865 617 HA VAL 93 HA VAL 93 18.481 6.797 -0.269 618 HB VAL 93 HB VAL 93 17.840 7.148 -2.552 619 HG11 VAL 93 HG11 VAL 93 14.948 7.372 -1.622 620 HG12 VAL 93 HG12 VAL 93 15.554 7.648 -3.266 621 HG13 VAL 93 HG13 VAL 93 15.632 6.028 -2.555 622 HG21 VAL 93 HG21 VAL 93 18.232 9.175 -1.169 623 HG22 VAL 93 HG22 VAL 93 17.148 9.446 -2.538 624 HG23 VAL 93 HG23 VAL 93 16.471 9.309 -0.911 Start of MODEL 4 1 H TYR 11 H TYR 11 3.223 11.240 2.195 2 HA TYR 11 HA TYR 11 0.969 12.468 0.784 3 HB2 TYR 11 HB2 TYR 11 2.415 14.393 0.828 4 HB3 TYR 11 HB3 TYR 11 3.812 13.439 0.354 5 HD1 TYR 11 HD1 TYR 11 0.562 14.838 -0.859 6 HD2 TYR 11 HD2 TYR 11 4.257 12.887 -1.948 7 HE1 TYR 11 HE1 TYR 11 0.077 15.249 -3.269 8 HE2 TYR 11 HE2 TYR 11 3.764 13.289 -4.346 9 HH TYR 11 HH TYR 11 0.819 14.997 -5.460 10 H CYS 12 H CYS 12 0.324 10.787 -0.352 11 HA CYS 12 HA CYS 12 1.567 10.642 -2.783 12 HB2 CYS 12 2HB CYS 12 2.814 8.642 -1.435 13 HB3 CYS 12 3HB CYS 12 1.370 7.773 -1.920 14 H GLY 13 H GLY 13 -0.138 10.316 -4.365 15 HA2 GLY 13 HA2 GLY 13 -2.851 9.849 -3.457 16 HA3 GLY 13 HA3 GLY 13 -2.282 9.876 -5.134 17 H ARG 14 H ARG 14 -0.594 7.747 -5.265 18 HA ARG 14 HA ARG 14 -2.147 5.414 -5.389 19 HB2 ARG 14 HB2 ARG 14 -0.135 4.177 -5.716 20 HB3 ARG 14 HB3 ARG 14 -0.041 5.691 -6.610 21 HG2 ARG 14 HG2 ARG 14 1.858 6.320 -5.495 22 HG3 ARG 14 HG3 ARG 14 1.126 5.988 -3.939 23 HD2 ARG 14 HD2 ARG 14 3.066 4.619 -4.182 24 HD3 ARG 14 HD3 ARG 14 1.638 3.594 -4.199 25 HE ARG 14 HE ARG 14 3.219 4.453 -6.633 26 HH11 ARG 14 HH11 ARG 14 1.291 1.838 -5.150 27 HH12 ARG 14 HH12 ARG 14 1.369 0.953 -6.669 28 HH21 ARG 14 HH21 ARG 14 3.102 3.141 -8.494 29 HH22 ARG 14 HH22 ARG 14 2.373 1.563 -8.308 30 H GLU 15 H GLU 15 -0.913 6.749 -2.513 31 HA GLU 15 HA GLU 15 -0.838 4.248 -1.006 32 HB2 GLU 15 HB2 GLU 15 0.516 6.294 -0.510 33 HB3 GLU 15 HB3 GLU 15 -0.943 7.125 -0.020 34 HG2 GLU 15 HG2 GLU 15 -0.170 4.464 1.183 35 HG3 GLU 15 HG3 GLU 15 0.668 5.919 1.686 36 H LEU 16 H LEU 16 -3.267 6.836 -1.501 37 HA LEU 16 HA LEU 16 -5.191 5.647 0.306 38 HB2 LEU 16 HB2 LEU 16 -5.088 8.038 -0.403 39 HB3 LEU 16 HB3 LEU 16 -5.536 7.593 -2.031 40 HG LEU 16 HG LEU 16 -7.297 8.614 -0.520 41 HD11 LEU 16 HD11 LEU 16 -8.108 5.948 -1.732 42 HD12 LEU 16 HD12 LEU 16 -7.886 7.467 -2.627 43 HD13 LEU 16 HD13 LEU 16 -9.140 7.340 -1.389 44 HD21 LEU 16 HD21 LEU 16 -6.796 7.254 1.506 45 HD22 LEU 16 HD22 LEU 16 -7.501 5.836 0.696 46 HD23 LEU 16 HD23 LEU 16 -8.506 7.251 1.044 47 H GLU 17 H GLU 17 -4.619 5.470 -3.210 48 HA GLU 17 HA GLU 17 -6.838 3.732 -3.771 49 HB2 GLU 17 HB2 GLU 17 -4.232 4.109 -5.316 50 HB3 GLU 17 HB3 GLU 17 -5.685 3.296 -5.920 51 HG2 GLU 17 HG2 GLU 17 -6.977 5.416 -5.563 52 HG3 GLU 17 HG3 GLU 17 -5.479 6.228 -5.104 53 H GLN 18 H GLN 18 -3.348 2.850 -3.277 54 HA GLN 18 HA GLN 18 -3.961 0.052 -3.578 55 HB2 GLN 18 HB2 GLN 18 -1.721 -0.370 -3.330 56 HB3 GLN 18 HB3 GLN 18 -1.727 1.248 -4.030 57 HG2 GLN 18 HG2 GLN 18 -1.464 2.122 -1.608 58 HG3 GLN 18 HG3 GLN 18 -1.260 0.444 -1.120 59 HE21 GLN 18 HE21 GLN 18 0.815 0.851 -0.294 60 HE22 GLN 18 HE22 GLN 18 2.171 1.124 -1.396 61 H TYR 19 H TYR 19 -3.785 2.159 -0.678 62 HA TYR 19 HA TYR 19 -3.746 0.056 1.260 63 HB2 TYR 19 HB2 TYR 19 -3.341 2.412 1.822 64 HB3 TYR 19 HB3 TYR 19 -5.006 2.821 1.413 65 HD1 TYR 19 HD1 TYR 19 -2.775 1.171 3.871 66 HD2 TYR 19 HD2 TYR 19 -6.846 2.266 2.944 67 HE1 TYR 19 HE1 TYR 19 -3.451 0.625 6.195 68 HE2 TYR 19 HE2 TYR 19 -7.513 1.747 5.279 69 HH TYR 19 HH TYR 19 -5.177 0.465 7.693 70 H GLY 20 H GLY 20 -6.490 1.607 -0.498 71 HA2 GLY 20 HA2 GLY 20 -8.590 0.130 0.715 72 HA3 GLY 20 HA3 GLY 20 -8.606 0.779 -0.936 73 H GLN 21 H GLN 21 -6.809 -0.699 -2.350 74 HA GLN 21 HA GLN 21 -8.132 -3.203 -2.713 75 HB2 GLN 21 HB2 GLN 21 -5.336 -2.305 -3.583 76 HB3 GLN 21 HB3 GLN 21 -6.083 -3.820 -4.081 77 HG2 GLN 21 HG2 GLN 21 -8.042 -2.356 -4.980 78 HG3 GLN 21 HG3 GLN 21 -6.962 -0.976 -4.750 79 HE21 GLN 21 HE21 GLN 21 -7.330 -4.099 -6.469 80 HE22 GLN 21 HE22 GLN 21 -6.198 -3.683 -7.772 81 H CYS 22 H CYS 22 -4.981 -2.576 -1.126 82 HA CYS 22 HA CYS 22 -4.609 -5.382 -0.576 83 HB2 CYS 22 2HB CYS 22 -3.097 -2.864 0.136 84 HB3 CYS 22 3HB CYS 22 -2.596 -4.464 0.690 85 H VAL 23 H VAL 23 -6.049 -2.758 1.438 86 HA VAL 23 HA VAL 23 -6.072 -4.597 3.740 87 HB VAL 23 HB VAL 23 -5.892 -2.005 3.832 88 HG11 VAL 23 HG11 VAL 23 -8.928 -2.262 4.010 89 HG12 VAL 23 HG12 VAL 23 -7.943 -0.800 4.212 90 HG13 VAL 23 HG13 VAL 23 -8.086 -1.557 2.621 91 HG21 VAL 23 HG21 VAL 23 -6.848 -2.027 6.081 92 HG22 VAL 23 HG22 VAL 23 -7.687 -3.554 5.734 93 HG23 VAL 23 HG23 VAL 23 -5.910 -3.495 5.769 94 H ALA 24 H ALA 24 -8.400 -3.630 1.182 95 HA ALA 24 HA ALA 24 -10.625 -4.796 2.588 96 HB1 ALA 24 HB1 ALA 24 -11.893 -4.282 0.596 97 HB2 ALA 24 HB2 ALA 24 -10.836 -2.921 0.999 98 HB3 ALA 24 HB3 ALA 24 -10.402 -4.017 -0.335 99 H ALA 25 H ALA 25 -8.142 -6.293 0.793 100 HA ALA 25 HA ALA 25 -9.671 -8.721 0.162 101 HB1 ALA 25 HB1 ALA 25 -7.786 -7.968 -1.248 102 HB2 ALA 25 HB2 ALA 25 -6.676 -8.118 0.123 103 HB3 ALA 25 HB3 ALA 25 -7.462 -9.567 -0.543 104 H LYS 26 H LYS 26 -7.001 -7.943 2.443 105 HA LYS 26 HA LYS 26 -8.297 -9.343 4.669 106 HB2 LYS 26 HB2 LYS 26 -5.566 -10.175 3.583 107 HB3 LYS 26 HB3 LYS 26 -6.044 -10.455 5.252 108 HG2 LYS 26 HG2 LYS 26 -7.866 -11.917 4.570 109 HG3 LYS 26 HG3 LYS 26 -7.496 -11.626 2.853 110 HD2 LYS 26 HD2 LYS 26 -5.303 -12.599 3.066 111 HD3 LYS 26 HD3 LYS 26 -5.470 -12.803 4.805 112 HE2 LYS 26 HE2 LYS 26 -7.241 -14.189 2.740 113 HE3 LYS 26 HE3 LYS 26 -5.755 -14.879 3.399 114 HZ1 LYS 26 HZ1 LYS 26 -6.760 -14.711 5.627 115 HZ2 LYS 26 HZ2 LYS 26 -7.531 -15.732 4.656 116 HZ3 LYS 26 HZ3 LYS 26 -8.221 -14.281 4.939 117 HA PRO 27 HA PRO 27 -6.181 -5.898 6.762 118 HB2 PRO 27 HB2 PRO 27 -5.751 -7.908 8.981 119 HB3 PRO 27 HB3 PRO 27 -6.328 -6.215 9.090 120 HG2 PRO 27 HG2 PRO 27 -8.097 -8.256 9.267 121 HG3 PRO 27 HG3 PRO 27 -8.493 -6.825 8.259 122 HD2 PRO 27 HD2 PRO 27 -7.423 -9.514 7.357 123 HD3 PRO 27 HD3 PRO 27 -8.754 -8.531 6.667 124 H GLU 28 H GLU 28 -4.750 -9.163 6.840 125 HA GLU 28 HA GLU 28 -1.995 -8.296 7.078 126 HB2 GLU 28 HB2 GLU 28 -3.194 -10.992 6.310 127 HB3 GLU 28 HB3 GLU 28 -1.511 -10.691 6.762 128 HG2 GLU 28 HG2 GLU 28 -2.368 -9.767 8.974 129 HG3 GLU 28 HG3 GLU 28 -3.981 -10.314 8.507 130 H SER 29 H SER 29 -4.093 -8.371 4.342 131 HA SER 29 HA SER 29 -2.035 -8.950 2.367 132 HB2 SER 29 HB2 SER 29 -4.915 -8.280 2.311 133 HB3 SER 29 HB3 SER 29 -3.965 -7.814 0.888 134 HG SER 29 HG SER 29 -3.892 -9.783 0.311 135 H TRP 30 H TRP 30 -2.731 -6.090 4.190 136 HA TRP 30 HA TRP 30 -1.443 -4.153 2.504 137 HB2 TRP 30 HB2 TRP 30 -2.407 -3.548 4.668 138 HB3 TRP 30 HB3 TRP 30 -1.252 -4.591 5.502 139 HD1 TRP 30 HD1 TRP 30 0.874 -3.449 6.344 140 HE1 TRP 30 HE1 TRP 30 2.171 -1.284 5.866 141 HE3 TRP 30 HE3 TRP 30 -1.964 -1.635 2.471 142 HZ2 TRP 30 HZ2 TRP 30 1.918 1.003 4.139 143 HZ3 TRP 30 HZ3 TRP 30 -1.408 0.554 1.435 144 HH2 TRP 30 HH2 TRP 30 0.504 1.896 2.288 145 H GLN 31 H GLN 31 -0.071 -6.825 4.456 146 HA GLN 31 HA GLN 31 2.680 -6.119 3.657 147 HB2 GLN 31 HB2 GLN 31 1.589 -8.490 5.228 148 HB3 GLN 31 HB3 GLN 31 3.290 -8.106 4.973 149 HG2 GLN 31 HG2 GLN 31 3.001 -5.970 6.215 150 HG3 GLN 31 HG3 GLN 31 1.288 -6.327 6.442 151 HE21 GLN 31 HE21 GLN 31 1.603 -6.152 8.746 152 HE22 GLN 31 HE22 GLN 31 2.390 -7.451 9.625 153 H ARG 32 H ARG 32 0.266 -8.615 2.957 154 HA ARG 32 HA ARG 32 2.119 -10.136 1.284 155 HB2 ARG 32 HB2 ARG 32 -0.769 -10.643 2.070 156 HB3 ARG 32 HB3 ARG 32 0.248 -11.767 1.164 157 HG2 ARG 32 HG2 ARG 32 1.854 -11.897 3.001 158 HG3 ARG 32 HG3 ARG 32 0.962 -10.685 3.936 159 HD2 ARG 32 HD2 ARG 32 -0.963 -12.157 4.136 160 HD3 ARG 32 HD3 ARG 32 -0.167 -13.373 3.109 161 HE ARG 32 HE ARG 32 1.443 -12.598 5.411 162 HH11 ARG 32 HH11 ARG 32 -1.327 -14.640 4.702 163 HH12 ARG 32 HH12 ARG 32 -0.768 -15.929 5.731 164 HH21 ARG 32 HH21 ARG 32 2.157 -14.272 6.621 165 HH22 ARG 32 HH22 ARG 32 1.135 -15.672 6.879 166 H ASP 33 H ASP 33 -0.769 -8.186 0.467 167 HA ASP 33 HA ASP 33 -0.375 -8.841 -2.410 168 HB2 ASP 33 HB2 ASP 33 -2.597 -7.522 -0.855 169 HB3 ASP 33 HB3 ASP 33 -2.437 -7.209 -2.572 170 H CYS 34 H CYS 34 0.321 -6.222 -0.141 171 HA CYS 34 HA CYS 34 1.573 -4.729 -2.439 172 HB2 CYS 34 2HB CYS 34 0.326 -3.803 0.180 173 HB3 CYS 34 3HB CYS 34 1.394 -2.793 -0.758 174 H HIS 35 H HIS 35 3.478 -6.260 -2.107 175 HA HIS 35 HA HIS 35 5.107 -5.728 0.305 176 HB2 HIS 35 2HB HIS 35 5.045 -7.988 -0.502 177 HB3 HIS 35 3HB HIS 35 5.432 -7.480 -2.145 178 HD1 HIS 35 1HD HIS 35 7.552 -8.930 -2.415 179 HD2 HIS 35 2HD HIS 35 7.579 -6.409 0.956 180 HE1 HIS 35 1HE HIS 35 9.949 -8.942 -1.522 181 H TYR 36 H TYR 36 5.810 -5.290 -3.223 182 HA TYR 36 HA TYR 36 7.928 -3.367 -2.633 183 HB2 TYR 36 HB2 TYR 36 6.439 -3.693 -5.254 184 HB3 TYR 36 HB3 TYR 36 8.065 -3.080 -4.988 185 HD1 TYR 36 HD1 TYR 36 9.786 -4.788 -3.901 186 HD2 TYR 36 HD2 TYR 36 6.116 -5.933 -5.858 187 HE1 TYR 36 HE1 TYR 36 10.655 -7.102 -4.175 188 HE2 TYR 36 HE2 TYR 36 6.968 -8.250 -6.098 189 HH TYR 36 HH TYR 36 10.264 -9.177 -5.047 190 H LEU 37 H LEU 37 4.461 -3.265 -3.412 191 HA LEU 37 HA LEU 37 4.214 -0.478 -3.755 192 HB2 LEU 37 HB2 LEU 37 2.351 -2.750 -3.179 193 HB3 LEU 37 HB3 LEU 37 1.769 -1.130 -2.831 194 HG LEU 37 HG LEU 37 2.429 -0.439 -5.158 195 HD11 LEU 37 HD11 LEU 37 3.970 -2.326 -5.721 196 HD12 LEU 37 HD12 LEU 37 2.677 -2.107 -6.892 197 HD13 LEU 37 HD13 LEU 37 2.561 -3.423 -5.714 198 HD21 LEU 37 HD21 LEU 37 0.356 -2.648 -4.871 199 HD22 LEU 37 HD22 LEU 37 0.444 -1.473 -6.211 200 HD23 LEU 37 HD23 LEU 37 0.111 -0.915 -4.570 201 H LYS 38 H LYS 38 4.047 -2.269 -0.566 202 HA LYS 38 HA LYS 38 3.451 0.201 0.842 203 HB2 LYS 38 HB2 LYS 38 3.622 -0.960 2.856 204 HB3 LYS 38 HB3 LYS 38 2.849 -2.047 1.716 205 HG2 LYS 38 HG2 LYS 38 5.039 -3.245 1.448 206 HG3 LYS 38 HG3 LYS 38 5.769 -2.150 2.631 207 HD2 LYS 38 HD2 LYS 38 4.351 -2.961 4.400 208 HD3 LYS 38 HD3 LYS 38 3.304 -3.807 3.261 209 HE2 LYS 38 HE2 LYS 38 4.682 -5.418 4.427 210 HE3 LYS 38 HE3 LYS 38 5.097 -5.395 2.707 211 HZ1 LYS 38 HZ1 LYS 38 6.639 -4.001 4.840 212 HZ2 LYS 38 HZ2 LYS 38 7.055 -4.087 3.257 213 HZ3 LYS 38 HZ3 LYS 38 7.055 -5.441 4.176 214 H MET 39 H MET 39 6.523 -1.216 -0.126 215 HA MET 39 HA MET 39 7.981 0.923 1.277 216 HB2 MET 39 HB2 MET 39 8.955 -1.329 0.818 217 HB3 MET 39 HB3 MET 39 8.978 -0.942 -0.908 218 HG2 MET 39 HG2 MET 39 11.164 -0.590 0.160 219 HG3 MET 39 HG3 MET 39 10.528 0.905 -0.490 220 HE1 MET 39 HE1 MET 39 13.010 0.805 1.565 221 HE2 MET 39 HE2 MET 39 12.345 2.256 0.782 222 HE3 MET 39 HE3 MET 39 12.584 2.223 2.543 223 H SER 40 H SER 40 6.556 0.543 -1.938 224 HA SER 40 HA SER 40 7.867 2.727 -3.221 225 HB2 SER 40 HB2 SER 40 5.104 1.577 -3.733 226 HB3 SER 40 HB3 SER 40 5.965 2.693 -4.799 227 HG SER 40 HG SER 40 6.987 0.171 -3.940 228 H ILE 41 H ILE 41 4.799 2.715 -1.305 229 HA ILE 41 HA ILE 41 4.370 5.545 -1.729 230 HB ILE 41 HB ILE 41 2.757 5.424 0.138 231 HG12 ILE 41 HG12 ILE 41 1.969 3.100 0.788 232 HG13 ILE 41 HG13 ILE 41 3.541 2.482 0.310 233 HG21 ILE 41 HG21 ILE 41 1.212 3.931 -1.175 234 HG22 ILE 41 HG22 ILE 41 2.074 5.113 -2.135 235 HG23 ILE 41 HG23 ILE 41 2.583 3.404 -2.133 236 HD11 ILE 41 HD11 ILE 41 3.126 4.651 2.418 237 HD12 ILE 41 HD12 ILE 41 3.195 2.914 2.777 238 HD13 ILE 41 HD13 ILE 41 4.610 3.714 2.108 239 H ALA 42 H ALA 42 6.467 3.825 0.518 240 HA ALA 42 HA ALA 42 6.982 6.105 2.238 241 HB1 ALA 42 HB1 ALA 42 8.753 4.727 3.142 242 HB2 ALA 42 HB2 ALA 42 7.310 3.724 2.925 243 HB3 ALA 42 HB3 ALA 42 8.662 3.604 1.778 244 H GLN 43 H GLN 43 8.737 4.688 -0.571 245 HA GLN 43 HA GLN 43 10.722 6.786 -0.716 246 HB2 GLN 43 HB2 GLN 43 9.625 4.838 -2.782 247 HB3 GLN 43 HB3 GLN 43 10.976 5.921 -3.106 248 HG2 GLN 43 HG2 GLN 43 12.431 4.826 -1.601 249 HG3 GLN 43 HG3 GLN 43 11.114 4.054 -0.719 250 HE21 GLN 43 HE21 GLN 43 9.733 2.524 -2.030 251 HE22 GLN 43 HE22 GLN 43 10.558 1.443 -3.138 252 H CYS 44 H CYS 44 7.465 6.491 -2.246 253 HA CYS 44 HA CYS 44 7.507 8.913 -3.699 254 HB2 CYS 44 2HB CYS 44 5.713 7.240 -3.838 255 HB3 CYS 44 3HB CYS 44 5.217 7.614 -2.184 256 H THR 45 H THR 45 6.480 8.461 -0.227 257 HA THR 45 HA THR 45 6.209 11.285 0.281 258 HB THR 45 HB THR 45 6.711 8.937 2.141 259 HG1 THR 45 HG1 THR 45 4.598 9.868 0.824 260 HG21 THR 45 HG21 THR 45 5.836 10.439 3.932 261 HG22 THR 45 HG22 THR 45 5.980 11.820 2.815 262 HG23 THR 45 HG23 THR 45 7.426 10.936 3.354 263 H SER 46 H SER 46 9.059 9.138 0.462 264 HA SER 46 HA SER 46 10.843 11.112 1.572 265 HB2 SER 46 HB2 SER 46 11.476 8.568 0.068 266 HB3 SER 46 HB3 SER 46 12.621 9.550 0.986 267 HG SER 46 HG SER 46 10.377 8.125 1.990 268 H SER 47 H SER 47 9.602 10.863 -1.611 269 HA SER 47 HA SER 47 11.804 11.359 -3.206 270 HB2 SER 47 HB2 SER 47 9.327 10.846 -3.782 271 HB3 SER 47 HB3 SER 47 9.122 12.607 -3.839 272 HG SER 47 HG SER 47 10.608 12.702 -5.521 273 H HIS 48 H HIS 48 9.929 13.786 -1.408 274 HA HIS 48 HA HIS 48 10.135 16.000 -1.077 275 HB2 HIS 48 2HB HIS 48 13.029 15.152 -0.992 276 HB3 HIS 48 3HB HIS 48 12.459 16.744 -0.498 277 HD1 HIS 48 1HD HIS 48 13.288 13.624 1.159 278 HD2 HIS 48 2HD HIS 48 10.233 16.512 1.426 279 HE1 HIS 48 1HE HIS 48 12.307 13.408 3.477 280 HA PRO 49 HA PRO 49 10.834 17.318 -5.453 281 HB2 PRO 49 HB2 PRO 49 8.344 18.187 -6.066 282 HB3 PRO 49 HB3 PRO 49 8.762 16.451 -6.024 283 HG2 PRO 49 HG2 PRO 49 7.455 18.088 -3.823 284 HG3 PRO 49 HG3 PRO 49 6.910 16.521 -4.507 285 HD2 PRO 49 HD2 PRO 49 8.412 16.685 -2.232 286 HD3 PRO 49 HD3 PRO 49 8.604 15.338 -3.395 287 H ILE 50 H ILE 50 12.187 18.646 -4.042 288 HA ILE 50 HA ILE 50 11.572 21.510 -4.225 289 HB ILE 50 HB ILE 50 10.832 20.818 -1.966 290 HG12 ILE 50 HG12 ILE 50 13.339 22.532 -1.784 291 HG13 ILE 50 HG13 ILE 50 11.799 23.081 -2.441 292 HG21 ILE 50 HG21 ILE 50 13.725 20.079 -1.375 293 HG22 ILE 50 HG22 ILE 50 12.343 20.018 -0.266 294 HG23 ILE 50 HG23 ILE 50 12.407 18.912 -1.622 295 HD11 ILE 50 HD11 ILE 50 11.978 23.832 -0.162 296 HD12 ILE 50 HD12 ILE 50 10.703 22.600 -0.250 297 HD13 ILE 50 HD13 ILE 50 12.303 22.194 0.423 298 H ILE 51 H ILE 51 13.544 22.791 -4.235 299 HA ILE 51 HA ILE 51 15.526 23.282 -5.155 300 HB ILE 51 HB ILE 51 16.662 20.749 -3.957 301 HG12 ILE 51 HG12 ILE 51 15.622 21.831 -2.106 302 HG13 ILE 51 HG13 ILE 51 17.344 22.129 -2.028 303 HG21 ILE 51 HG21 ILE 51 18.760 22.071 -3.914 304 HG22 ILE 51 HG22 ILE 51 18.156 21.831 -5.552 305 HG23 ILE 51 HG23 ILE 51 17.933 23.399 -4.755 306 HD11 ILE 51 HD11 ILE 51 16.126 24.119 -1.383 307 HD12 ILE 51 HD12 ILE 51 17.001 24.440 -2.891 308 HD13 ILE 51 HD13 ILE 51 15.248 24.147 -2.919 309 H ARG 52 H ARG 52 14.724 23.172 -7.235 310 HA ARG 52 HA ARG 52 14.453 20.943 -8.893 311 HB2 ARG 52 HB2 ARG 52 14.658 23.866 -9.257 312 HB3 ARG 52 HB3 ARG 52 15.345 23.014 -10.620 313 HG2 ARG 52 HG2 ARG 52 12.546 22.556 -9.522 314 HG3 ARG 52 HG3 ARG 52 12.948 23.571 -10.904 315 HD2 ARG 52 HD2 ARG 52 13.400 20.558 -10.749 316 HD3 ARG 52 HD3 ARG 52 12.060 21.362 -11.568 317 HE ARG 52 HE ARG 52 14.232 22.515 -12.782 318 HH11 ARG 52 HH11 ARG 52 13.005 19.245 -12.529 319 HH12 ARG 52 HH12 ARG 52 13.919 18.677 -13.885 320 HH21 ARG 52 HH21 ARG 52 15.243 21.760 -14.675 321 HH22 ARG 52 HH22 ARG 52 15.119 20.065 -15.073 322 H GLN 53 H GLN 53 17.521 22.576 -8.184 323 HA GLN 53 HA GLN 53 19.124 21.467 -10.213 324 HB2 GLN 53 HB2 GLN 53 19.844 23.208 -8.707 325 HB3 GLN 53 HB3 GLN 53 19.753 22.127 -7.312 326 HG2 GLN 53 HG2 GLN 53 21.621 20.818 -8.094 327 HG3 GLN 53 HG3 GLN 53 21.633 21.646 -9.663 328 HE21 GLN 53 HE21 GLN 53 22.663 23.695 -9.808 329 HE22 GLN 53 HE22 GLN 53 23.312 24.545 -8.401 330 H ILE 54 H ILE 54 17.812 19.765 -7.370 331 HA ILE 54 HA ILE 54 19.574 17.452 -7.609 332 HB ILE 54 HB ILE 54 16.864 17.768 -6.250 333 HG12 ILE 54 HG12 ILE 54 19.699 17.892 -5.106 334 HG13 ILE 54 HG13 ILE 54 18.646 19.279 -5.357 335 HG21 ILE 54 HG21 ILE 54 18.959 15.565 -5.930 336 HG22 ILE 54 HG22 ILE 54 17.434 15.700 -5.031 337 HG23 ILE 54 HG23 ILE 54 17.395 15.380 -6.752 338 HD11 ILE 54 HD11 ILE 54 17.002 18.315 -3.755 339 HD12 ILE 54 HD12 ILE 54 18.182 17.035 -3.369 340 HD13 ILE 54 HD13 ILE 54 18.572 18.729 -3.042 341 H ARG 55 H ARG 55 16.198 18.131 -8.623 342 HA ARG 55 HA ARG 55 15.962 15.730 -10.246 343 HB2 ARG 55 HB2 ARG 55 14.307 18.200 -9.750 344 HB3 ARG 55 HB3 ARG 55 13.969 17.261 -11.190 345 HG2 ARG 55 HG2 ARG 55 13.957 16.181 -8.343 346 HG3 ARG 55 HG3 ARG 55 12.548 16.588 -9.312 347 HD2 ARG 55 HD2 ARG 55 14.467 14.260 -9.631 348 HD3 ARG 55 HD3 ARG 55 12.727 14.216 -9.401 349 HE ARG 55 HE ARG 55 14.166 14.369 -11.901 350 HH11 ARG 55 HH11 ARG 55 11.078 15.268 -10.475 351 HH12 ARG 55 HH12 ARG 55 10.365 15.624 -12.035 352 HH21 ARG 55 HH21 ARG 55 13.204 15.010 -13.839 353 HH22 ARG 55 HH22 ARG 55 11.586 15.639 -13.801 354 H GLN 56 H GLN 56 17.274 18.879 -10.993 355 HA GLN 56 HA GLN 56 17.207 18.519 -13.842 356 HB2 GLN 56 HB2 GLN 56 17.366 20.663 -12.606 357 HB3 GLN 56 HB3 GLN 56 19.031 20.266 -12.146 358 HG2 GLN 56 HG2 GLN 56 19.737 20.310 -14.475 359 HG3 GLN 56 HG3 GLN 56 18.066 20.462 -15.032 360 HE21 GLN 56 HE21 GLN 56 20.020 22.283 -15.852 361 HE22 GLN 56 HE22 GLN 56 19.533 23.849 -15.191 362 H ALA 57 H ALA 57 19.563 17.482 -11.379 363 HA ALA 57 HA ALA 57 21.338 16.238 -13.382 364 HB1 ALA 57 HB1 ALA 57 22.457 15.305 -11.420 365 HB2 ALA 57 HB2 ALA 57 22.235 17.051 -11.253 366 HB3 ALA 57 HB3 ALA 57 21.176 15.938 -10.356 367 H CYS 58 H CYS 58 18.851 15.165 -11.039 368 HA CYS 58 HA CYS 58 18.705 12.472 -12.181 369 HB2 CYS 58 2HB CYS 58 18.523 13.072 -9.726 370 HB3 CYS 58 3HB CYS 58 16.956 13.785 -10.087 371 H ALA 59 H ALA 59 18.284 13.964 -14.308 372 HA ALA 59 HA ALA 59 15.374 14.471 -14.648 373 HB1 ALA 59 HB1 ALA 59 17.793 15.538 -16.138 374 HB2 ALA 59 HB2 ALA 59 16.105 15.871 -16.575 375 HB3 ALA 59 HB3 ALA 59 16.746 16.410 -15.019 376 H GLN 60 H GLN 60 17.797 13.577 -17.182 377 HA GLN 60 HA GLN 60 15.703 12.411 -18.680 378 HB2 GLN 60 HB2 GLN 60 18.707 12.154 -19.019 379 HB3 GLN 60 HB3 GLN 60 17.516 11.475 -20.138 380 HG2 GLN 60 HG2 GLN 60 16.489 13.771 -20.363 381 HG3 GLN 60 HG3 GLN 60 17.838 14.425 -19.437 382 HE21 GLN 60 HE21 GLN 60 16.730 13.690 -22.566 383 HE22 GLN 60 HE22 GLN 60 18.287 13.588 -23.379 384 HA PRO 61 HA PRO 61 16.924 8.031 -17.136 385 HB2 PRO 61 HB2 PRO 61 17.779 8.714 -14.327 386 HB3 PRO 61 HB3 PRO 61 18.311 7.364 -15.377 387 HG2 PRO 61 HG2 PRO 61 19.902 9.527 -15.022 388 HG3 PRO 61 HG3 PRO 61 19.708 8.814 -16.656 389 HD2 PRO 61 HD2 PRO 61 18.292 11.224 -15.477 390 HD3 PRO 61 HD3 PRO 61 19.081 11.056 -17.073 391 H PHE 62 H PHE 62 15.679 10.572 -14.916 392 HA PHE 62 HA PHE 62 13.779 8.893 -13.525 393 HB2 PHE 62 HB2 PHE 62 14.774 10.999 -12.679 394 HB3 PHE 62 HB3 PHE 62 13.946 11.908 -13.922 395 HD1 PHE 62 HD2 PHE 62 11.313 11.840 -13.921 396 HD2 PHE 62 HD1 PHE 62 13.830 10.878 -10.551 397 HE1 PHE 62 HE2 PHE 62 9.481 12.456 -12.370 398 HE2 PHE 62 HE1 PHE 62 12.001 11.524 -9.004 399 HZ PHE 62 HZ PHE 62 9.829 12.328 -9.911 400 H GLU 63 H GLU 63 13.570 11.148 -16.272 401 HA GLU 63 HA GLU 63 10.842 10.598 -17.025 402 HB2 GLU 63 HB2 GLU 63 12.006 12.593 -17.714 403 HB3 GLU 63 HB3 GLU 63 13.282 11.653 -18.492 404 HG2 GLU 63 HG2 GLU 63 11.704 10.852 -20.205 405 HG3 GLU 63 HG3 GLU 63 10.371 11.664 -19.378 406 H ALA 64 H ALA 64 13.958 9.018 -18.017 407 HA ALA 64 HA ALA 64 12.804 7.435 -20.068 408 HB1 ALA 64 HB1 ALA 64 14.854 6.090 -19.884 409 HB2 ALA 64 HB2 ALA 64 15.224 7.820 -19.838 410 HB3 ALA 64 HB3 ALA 64 15.245 6.863 -18.335 411 H PHE 65 H PHE 65 12.963 6.830 -16.544 412 HA PHE 65 HA PHE 65 11.760 4.183 -16.805 413 HB2 PHE 65 HB2 PHE 65 12.176 6.012 -14.424 414 HB3 PHE 65 HB3 PHE 65 11.422 4.424 -14.324 415 HD1 PHE 65 HD1 PHE 65 12.797 2.463 -15.598 416 HD2 PHE 65 HD2 PHE 65 14.492 6.038 -13.890 417 HE1 PHE 65 HE1 PHE 65 14.995 1.329 -15.408 418 HE2 PHE 65 HE2 PHE 65 16.700 4.914 -13.744 419 HZ PHE 65 HZ PHE 65 16.945 2.548 -14.470 420 H GLU 66 H GLU 66 10.379 7.473 -16.285 421 HA GLU 66 HA GLU 66 7.647 6.588 -16.008 422 HB2 GLU 66 HB2 GLU 66 8.408 8.914 -15.538 423 HB3 GLU 66 HB3 GLU 66 8.711 9.164 -17.261 424 HG2 GLU 66 HG2 GLU 66 6.317 8.716 -17.744 425 HG3 GLU 66 HG3 GLU 66 6.005 8.502 -16.026 426 H GLU 67 H GLU 67 9.639 7.341 -18.903 427 HA GLU 67 HA GLU 67 7.543 6.580 -20.728 428 HB2 GLU 67 HB2 GLU 67 10.460 7.191 -21.226 429 HB3 GLU 67 HB3 GLU 67 9.278 6.766 -22.485 430 HG2 GLU 67 HG2 GLU 67 7.782 8.620 -21.514 431 HG3 GLU 67 HG3 GLU 67 9.195 9.170 -20.616 432 H CYS 68 H CYS 68 9.817 4.631 -19.009 433 HA CYS 68 HA CYS 68 9.738 2.370 -20.774 434 HB2 CYS 68 2HB CYS 68 11.336 2.741 -18.872 435 HB3 CYS 68 3HB CYS 68 10.040 2.300 -17.752 436 H LEU 69 H LEU 69 7.653 3.252 -17.944 437 HA LEU 69 HA LEU 69 5.660 1.269 -18.512 438 HB2 LEU 69 HB2 LEU 69 5.898 3.619 -16.599 439 HB3 LEU 69 HB3 LEU 69 4.394 2.746 -16.811 440 HG LEU 69 HG LEU 69 5.655 0.585 -16.259 441 HD11 LEU 69 HD11 LEU 69 7.973 1.301 -16.430 442 HD12 LEU 69 HD12 LEU 69 7.628 0.888 -14.758 443 HD13 LEU 69 HD13 LEU 69 7.709 2.601 -15.248 444 HD21 LEU 69 HD21 LEU 69 5.447 1.041 -13.825 445 HD22 LEU 69 HD22 LEU 69 4.069 1.639 -14.758 446 HD23 LEU 69 HD23 LEU 69 5.293 2.779 -14.186 447 H ARG 70 H ARG 70 6.229 4.452 -19.857 448 HA ARG 70 HA ARG 70 3.538 4.950 -20.747 449 HB2 ARG 70 HB2 ARG 70 5.485 6.558 -20.898 450 HB3 ARG 70 HB3 ARG 70 6.089 5.627 -22.268 451 HG2 ARG 70 HG2 ARG 70 5.003 7.517 -23.099 452 HG3 ARG 70 HG3 ARG 70 4.136 6.066 -23.581 453 HD2 ARG 70 HD2 ARG 70 2.709 7.873 -22.887 454 HD3 ARG 70 HD3 ARG 70 2.410 6.451 -21.914 455 HE ARG 70 HE ARG 70 3.156 7.559 -20.007 456 HH11 ARG 70 HH11 ARG 70 4.113 9.695 -22.675 457 HH12 ARG 70 HH12 ARG 70 5.135 10.613 -21.569 458 HH21 ARG 70 HH21 ARG 70 4.261 8.798 -18.800 459 HH22 ARG 70 HH22 ARG 70 5.022 10.271 -19.363 460 H GLN 71 H GLN 71 6.223 3.294 -22.432 461 HA GLN 71 HA GLN 71 4.561 2.100 -24.428 462 HB2 GLN 71 HB2 GLN 71 6.945 2.898 -24.545 463 HB3 GLN 71 HB3 GLN 71 7.403 1.572 -23.480 464 HG2 GLN 71 HG2 GLN 71 7.940 1.063 -25.683 465 HG3 GLN 71 HG3 GLN 71 6.662 -0.054 -25.195 466 HE21 GLN 71 HE21 GLN 71 6.355 -0.456 -27.513 467 HE22 GLN 71 HE22 GLN 71 5.400 0.675 -28.468 468 H ASN 72 H ASN 72 5.949 0.817 -21.351 469 HA ASN 72 HA ASN 72 4.320 -1.657 -21.660 470 HB2 ASN 72 HB2 ASN 72 7.187 -1.557 -20.644 471 HB3 ASN 72 HB3 ASN 72 6.177 -2.952 -20.733 472 HD21 ASN 72 HD21 ASN 72 5.438 -3.722 -22.884 473 HD22 ASN 72 HD22 ASN 72 6.499 -3.467 -24.258 474 H GLU 73 H GLU 73 2.911 -0.128 -20.219 475 HA GLU 73 HA GLU 73 3.753 0.633 -17.617 476 HB2 GLU 73 HB2 GLU 73 1.612 1.237 -19.148 477 HB3 GLU 73 HB3 GLU 73 0.860 -0.055 -18.232 478 HG2 GLU 73 HG2 GLU 73 1.586 1.206 -16.101 479 HG3 GLU 73 HG3 GLU 73 2.080 2.525 -17.159 480 H ALA 74 H ALA 74 3.107 -2.489 -18.731 481 HA ALA 74 HA ALA 74 2.152 -3.600 -16.136 482 HB1 ALA 74 HB1 ALA 74 0.638 -3.517 -18.143 483 HB2 ALA 74 HB2 ALA 74 1.763 -4.596 -18.980 484 HB3 ALA 74 HB3 ALA 74 0.931 -5.153 -17.506 485 H ALA 75 H ALA 75 4.766 -3.806 -18.461 486 HA ALA 75 HA ALA 75 5.576 -6.521 -17.696 487 HB1 ALA 75 HB1 ALA 75 5.822 -5.642 -20.036 488 HB2 ALA 75 HB2 ALA 75 7.056 -4.512 -19.421 489 HB3 ALA 75 HB3 ALA 75 7.325 -6.257 -19.329 490 H VAL 76 H VAL 76 5.383 -4.942 -15.461 491 HA VAL 76 HA VAL 76 7.481 -3.194 -15.041 492 HB VAL 76 HB VAL 76 5.854 -4.423 -12.781 493 HG11 VAL 76 HG11 VAL 76 6.773 -1.544 -13.207 494 HG12 VAL 76 HG12 VAL 76 5.882 -2.174 -11.805 495 HG13 VAL 76 HG13 VAL 76 7.534 -2.692 -12.090 496 HG21 VAL 76 HG21 VAL 76 4.133 -2.638 -13.241 497 HG22 VAL 76 HG22 VAL 76 4.927 -2.348 -14.804 498 HG23 VAL 76 HG23 VAL 76 4.174 -3.922 -14.426 499 H GLY 77 H GLY 77 7.689 -6.581 -14.708 500 HA2 GLY 77 HA2 GLY 77 9.868 -6.841 -12.808 501 HA3 GLY 77 HA3 GLY 77 9.441 -7.965 -14.103 502 H ASN 78 H ASN 78 9.712 -5.608 -16.096 503 HA ASN 78 HA ASN 78 12.655 -5.748 -16.471 504 HB2 ASN 78 HB2 ASN 78 10.350 -4.973 -18.311 505 HB3 ASN 78 HB3 ASN 78 12.045 -4.851 -18.758 506 HD21 ASN 78 HD21 ASN 78 10.264 -6.440 -20.244 507 HD22 ASN 78 HD22 ASN 78 10.811 -8.102 -20.027 508 H CYS 79 H CYS 79 10.264 -3.394 -15.466 509 HA CYS 79 HA CYS 79 12.393 -1.679 -14.627 510 HB2 CYS 79 2HB CYS 79 11.604 0.381 -15.813 511 HB3 CYS 79 3HB CYS 79 12.401 -0.806 -16.831 512 H ALA 80 H ALA 80 11.738 -0.634 -12.763 513 HA ALA 80 HA ALA 80 8.805 -0.207 -12.291 514 HB1 ALA 80 HB1 ALA 80 10.876 -1.205 -10.303 515 HB2 ALA 80 HB2 ALA 80 9.161 -0.841 -9.978 516 HB3 ALA 80 HB3 ALA 80 9.596 -2.170 -11.072 517 H GLU 81 H GLU 81 8.613 1.924 -12.573 518 HA GLU 81 HA GLU 81 10.725 3.763 -12.164 519 HB2 GLU 81 HB2 GLU 81 9.033 5.500 -12.696 520 HB3 GLU 81 HB3 GLU 81 9.154 4.174 -13.834 521 HG2 GLU 81 HG2 GLU 81 6.878 4.572 -13.686 522 HG3 GLU 81 HG3 GLU 81 7.141 3.100 -12.759 523 H HIS 82 H HIS 82 8.102 2.943 -9.828 524 HA HIS 82 HA HIS 82 8.635 5.265 -8.236 525 HB2 HIS 82 2HB HIS 82 7.036 2.775 -7.969 526 HB3 HIS 82 3HB HIS 82 7.715 3.297 -6.439 527 HD1 HIS 82 1HD HIS 82 5.650 4.946 -9.286 528 HD2 HIS 82 2HD HIS 82 6.367 5.090 -5.146 529 HE1 HIS 82 1HE HIS 82 4.036 6.693 -8.334 530 H MET 83 H MET 83 10.159 2.069 -8.136 531 HA MET 83 HA MET 83 11.952 2.813 -5.928 532 HB2 MET 83 HB2 MET 83 11.405 0.472 -6.239 533 HB3 MET 83 HB3 MET 83 11.952 0.513 -7.924 534 HG2 MET 83 HG2 MET 83 14.263 0.949 -7.180 535 HG3 MET 83 HG3 MET 83 13.717 1.046 -5.508 536 HE1 MET 83 HE1 MET 83 14.195 -1.294 -8.652 537 HE2 MET 83 HE2 MET 83 13.846 -2.900 -7.973 538 HE3 MET 83 HE3 MET 83 12.529 -1.737 -8.196 539 H ARG 84 H ARG 84 12.270 2.461 -9.521 540 HA ARG 84 HA ARG 84 15.059 3.100 -9.495 541 HB2 ARG 84 HB2 ARG 84 13.029 3.168 -11.759 542 HB3 ARG 84 HB3 ARG 84 14.768 3.335 -11.972 543 HG2 ARG 84 HG2 ARG 84 13.534 0.887 -10.665 544 HG3 ARG 84 HG3 ARG 84 13.802 1.029 -12.402 545 HD2 ARG 84 HD2 ARG 84 16.190 1.222 -12.102 546 HD3 ARG 84 HD3 ARG 84 16.023 1.302 -10.334 547 HE ARG 84 HE ARG 84 14.769 -1.070 -11.369 548 HH11 ARG 84 HH11 ARG 84 18.099 0.059 -11.149 549 HH12 ARG 84 HH12 ARG 84 18.649 -1.609 -10.955 550 HH21 ARG 84 HH21 ARG 84 15.629 -3.089 -10.974 551 HH22 ARG 84 HH22 ARG 84 17.373 -3.210 -10.783 552 H ARG 85 H ARG 85 12.277 5.323 -9.788 553 HA ARG 85 HA ARG 85 13.959 7.599 -10.550 554 HB2 ARG 85 HB2 ARG 85 11.155 7.388 -9.387 555 HB3 ARG 85 HB3 ARG 85 11.927 8.907 -9.810 556 HG2 ARG 85 HG2 ARG 85 12.221 8.121 -12.160 557 HG3 ARG 85 HG3 ARG 85 11.352 6.643 -11.779 558 HD2 ARG 85 HD2 ARG 85 10.259 9.482 -11.725 559 HD3 ARG 85 HD3 ARG 85 9.897 8.240 -12.908 560 HE ARG 85 HE ARG 85 8.461 7.150 -11.388 561 HH11 ARG 85 HH11 ARG 85 9.792 9.990 -9.840 562 HH12 ARG 85 HH12 ARG 85 8.659 9.915 -8.517 563 HH21 ARG 85 HH21 ARG 85 7.054 7.136 -9.845 564 HH22 ARG 85 HH22 ARG 85 7.154 8.256 -8.478 565 H PHE 86 H PHE 86 12.939 6.236 -7.420 566 HA PHE 86 HA PHE 86 14.173 8.366 -5.867 567 HB2 PHE 86 HB2 PHE 86 12.336 6.874 -5.061 568 HB3 PHE 86 HB3 PHE 86 13.462 5.525 -5.048 569 HD1 PHE 86 HD1 PHE 86 12.799 8.917 -3.612 570 HD2 PHE 86 HD2 PHE 86 14.959 5.210 -3.181 571 HE1 PHE 86 HE1 PHE 86 13.572 9.621 -1.359 572 HE2 PHE 86 HE2 PHE 86 15.677 5.893 -0.905 573 HZ PHE 86 HZ PHE 86 14.987 8.099 0.010 574 H LEU 87 H LEU 87 15.183 5.032 -6.719 575 HA LEU 87 HA LEU 87 17.684 5.064 -5.494 576 HB2 LEU 87 HB2 LEU 87 16.444 3.107 -6.320 577 HB3 LEU 87 HB3 LEU 87 16.766 3.559 -7.983 578 HG LEU 87 HG LEU 87 18.096 1.662 -6.988 579 HD11 LEU 87 HD11 LEU 87 18.813 2.846 -9.055 580 HD12 LEU 87 HD12 LEU 87 20.139 2.127 -8.127 581 HD13 LEU 87 HD13 LEU 87 19.879 3.869 -8.067 582 HD21 LEU 87 HD21 LEU 87 19.719 3.827 -5.601 583 HD22 LEU 87 HD22 LEU 87 20.012 2.079 -5.601 584 HD23 LEU 87 HD23 LEU 87 18.575 2.735 -4.788 585 H GLN 88 H GLN 88 17.009 6.019 -8.962 586 HA GLN 88 HA GLN 88 19.788 6.688 -9.373 587 HB2 GLN 88 HB2 GLN 88 17.303 7.596 -10.873 588 HB3 GLN 88 HB3 GLN 88 18.940 8.074 -11.307 589 HG2 GLN 88 HG2 GLN 88 17.764 5.290 -11.408 590 HG3 GLN 88 HG3 GLN 88 18.378 6.275 -12.739 591 HE21 GLN 88 HE21 GLN 88 20.977 6.970 -12.181 592 HE22 GLN 88 HE22 GLN 88 21.887 5.596 -11.580 593 H CYS 89 H CYS 89 17.126 8.697 -7.981 594 HA CYS 89 HA CYS 89 18.813 11.069 -8.046 595 HB2 CYS 89 2HB CYS 89 16.373 10.465 -6.363 596 HB3 CYS 89 3HB CYS 89 17.176 12.017 -6.493 597 H ALA 90 H ALA 90 18.640 8.332 -5.837 598 HA ALA 90 HA ALA 90 20.353 9.618 -3.826 599 HB1 ALA 90 HB1 ALA 90 19.497 6.718 -4.204 600 HB2 ALA 90 HB2 ALA 90 20.292 7.405 -2.773 601 HB3 ALA 90 HB3 ALA 90 18.654 7.931 -3.215 602 H GLU 91 H GLU 91 20.850 7.453 -6.630 603 HA GLU 91 HA GLU 91 23.678 7.044 -6.127 604 HB2 GLU 91 HB2 GLU 91 22.071 5.575 -7.468 605 HB3 GLU 91 HB3 GLU 91 22.171 6.781 -8.753 606 HG2 GLU 91 HG2 GLU 91 24.721 6.400 -8.707 607 HG3 GLU 91 HG3 GLU 91 24.406 5.056 -7.605 608 H GLN 92 H GLN 92 21.832 9.349 -8.083 609 HA GLN 92 HA GLN 92 24.085 10.602 -9.370 610 HB2 GLN 92 HB2 GLN 92 21.751 10.369 -10.270 611 HB3 GLN 92 HB3 GLN 92 21.197 11.495 -9.036 612 HG2 GLN 92 HG2 GLN 92 21.341 12.801 -10.940 613 HG3 GLN 92 HG3 GLN 92 22.841 13.204 -10.121 614 HE21 GLN 92 HE21 GLN 92 24.770 12.940 -11.377 615 HE22 GLN 92 HE22 GLN 92 24.765 12.007 -12.885 616 H VAL 93 H VAL 93 22.150 11.457 -6.441 617 HA VAL 93 HA VAL 93 23.963 13.793 -6.017 618 HB VAL 93 HB VAL 93 20.968 14.011 -5.604 619 HG11 VAL 93 HG11 VAL 93 22.425 15.623 -4.397 620 HG12 VAL 93 HG12 VAL 93 23.207 16.063 -5.926 621 HG13 VAL 93 HG13 VAL 93 21.495 16.432 -5.657 622 HG21 VAL 93 HG21 VAL 93 22.543 14.864 -8.071 623 HG22 VAL 93 HG22 VAL 93 21.196 13.696 -8.010 624 HG23 VAL 93 HG23 VAL 93 20.895 15.396 -7.679 Start of MODEL 5 1 H TYR 11 H TYR 11 3.311 10.963 2.835 2 HA TYR 11 HA TYR 11 0.404 11.236 2.322 3 HB2 TYR 11 HB2 TYR 11 2.449 13.461 1.904 4 HB3 TYR 11 HB3 TYR 11 0.789 13.495 1.326 5 HD1 TYR 11 HD2 TYR 11 -1.047 13.109 3.268 6 HD2 TYR 11 HD1 TYR 11 2.925 14.680 3.825 7 HE1 TYR 11 HE2 TYR 11 -1.765 14.147 5.418 8 HE2 TYR 11 HE1 TYR 11 2.201 15.740 5.963 9 HH TYR 11 HH TYR 11 -1.169 15.600 7.067 10 H CYS 12 H CYS 12 0.176 9.958 0.468 11 HA CYS 12 HA CYS 12 1.238 11.135 -1.927 12 HB2 CYS 12 2HB CYS 12 3.134 9.557 -1.190 13 HB3 CYS 12 3HB CYS 12 2.044 8.232 -1.571 14 H GLY 13 H GLY 13 -0.173 10.744 -3.718 15 HA2 GLY 13 HA2 GLY 13 -2.743 9.696 -3.215 16 HA3 GLY 13 HA3 GLY 13 -2.069 10.021 -4.826 17 H ARG 14 H ARG 14 -0.112 7.776 -4.797 18 HA ARG 14 HA ARG 14 -1.912 5.554 -5.131 19 HB2 ARG 14 HB2 ARG 14 -0.202 4.184 -5.701 20 HB3 ARG 14 HB3 ARG 14 0.301 5.763 -6.317 21 HG2 ARG 14 HG2 ARG 14 1.336 4.162 -3.941 22 HG3 ARG 14 HG3 ARG 14 2.136 4.467 -5.450 23 HD2 ARG 14 HD2 ARG 14 1.662 7.049 -4.507 24 HD3 ARG 14 HD3 ARG 14 1.981 6.181 -3.023 25 HE ARG 14 HE ARG 14 4.224 5.673 -3.863 26 HH11 ARG 14 HH11 ARG 14 2.500 7.677 -6.255 27 HH12 ARG 14 HH12 ARG 14 3.890 7.566 -7.323 28 HH21 ARG 14 HH21 ARG 14 5.797 5.601 -5.394 29 HH22 ARG 14 HH22 ARG 14 5.659 6.652 -6.804 30 H GLU 15 H GLU 15 -0.844 6.807 -2.161 31 HA GLU 15 HA GLU 15 -0.910 4.246 -0.764 32 HB2 GLU 15 HB2 GLU 15 -0.242 5.356 1.035 33 HB3 GLU 15 HB3 GLU 15 0.154 6.637 -0.068 34 HG2 GLU 15 HG2 GLU 15 -2.086 7.686 0.344 35 HG3 GLU 15 HG3 GLU 15 -2.467 6.404 1.488 36 H LEU 16 H LEU 16 -3.230 6.647 -1.790 37 HA LEU 16 HA LEU 16 -5.516 5.611 -0.347 38 HB2 LEU 16 HB2 LEU 16 -5.474 7.175 -2.955 39 HB3 LEU 16 HB3 LEU 16 -6.818 6.999 -1.844 40 HG LEU 16 HG LEU 16 -4.218 8.497 -1.260 41 HD11 LEU 16 HD11 LEU 16 -7.040 9.521 -1.762 42 HD12 LEU 16 HD12 LEU 16 -5.681 9.616 -2.902 43 HD13 LEU 16 HD13 LEU 16 -5.607 10.500 -1.369 44 HD21 LEU 16 HD21 LEU 16 -5.464 9.333 0.744 45 HD22 LEU 16 HD22 LEU 16 -5.125 7.601 0.829 46 HD23 LEU 16 HD23 LEU 16 -6.755 8.166 0.394 47 H GLU 17 H GLU 17 -4.187 5.148 -3.636 48 HA GLU 17 HA GLU 17 -6.017 3.070 -4.443 49 HB2 GLU 17 HB2 GLU 17 -3.090 3.406 -5.241 50 HB3 GLU 17 HB3 GLU 17 -4.260 2.336 -6.012 51 HG2 GLU 17 HG2 GLU 17 -5.668 4.353 -6.552 52 HG3 GLU 17 HG3 GLU 17 -4.356 5.375 -5.937 53 H GLN 18 H GLN 18 -2.861 2.792 -2.799 54 HA GLN 18 HA GLN 18 -2.698 -0.013 -2.781 55 HB2 GLN 18 HB2 GLN 18 -0.796 1.443 -2.545 56 HB3 GLN 18 HB3 GLN 18 -1.396 2.120 -1.041 57 HG2 GLN 18 HG2 GLN 18 -0.769 -0.838 -1.288 58 HG3 GLN 18 HG3 GLN 18 0.514 0.334 -1.030 59 HE21 GLN 18 HE21 GLN 18 0.144 -1.694 0.879 60 HE22 GLN 18 HE22 GLN 18 -0.479 -0.926 2.317 61 H TYR 19 H TYR 19 -4.120 2.138 -0.233 62 HA TYR 19 HA TYR 19 -4.518 -0.083 1.553 63 HB2 TYR 19 HB2 TYR 19 -5.269 1.380 3.013 64 HB3 TYR 19 HB3 TYR 19 -4.774 2.615 1.885 65 HD1 TYR 19 HD2 TYR 19 -7.689 0.618 3.114 66 HD2 TYR 19 HD1 TYR 19 -6.409 4.067 0.873 67 HE1 TYR 19 HE2 TYR 19 -10.040 1.416 2.999 68 HE2 TYR 19 HE1 TYR 19 -8.765 4.883 0.786 69 HH TYR 19 HH TYR 19 -11.480 3.017 2.204 70 H GLY 20 H GLY 20 -6.641 1.345 -0.989 71 HA2 GLY 20 HA2 GLY 20 -8.789 -0.364 -0.207 72 HA3 GLY 20 HA3 GLY 20 -8.758 0.640 -1.687 73 H GLN 21 H GLN 21 -6.163 -1.097 -2.372 74 HA GLN 21 HA GLN 21 -7.532 -3.645 -3.144 75 HB2 GLN 21 HB2 GLN 21 -4.608 -2.749 -3.399 76 HB3 GLN 21 HB3 GLN 21 -5.213 -4.336 -3.861 77 HG2 GLN 21 HG2 GLN 21 -6.743 -3.106 -5.531 78 HG3 GLN 21 HG3 GLN 21 -5.867 -1.633 -5.127 79 HE21 GLN 21 HE21 GLN 21 -5.512 -1.893 -7.659 80 HE22 GLN 21 HE22 GLN 21 -4.028 -2.771 -8.048 81 H CYS 22 H CYS 22 -4.642 -2.778 -1.198 82 HA CYS 22 HA CYS 22 -4.537 -5.530 -0.455 83 HB2 CYS 22 2HB CYS 22 -2.776 -3.145 0.021 84 HB3 CYS 22 3HB CYS 22 -2.459 -4.697 0.793 85 H VAL 23 H VAL 23 -6.059 -2.866 1.281 86 HA VAL 23 HA VAL 23 -6.188 -4.546 3.748 87 HB VAL 23 HB VAL 23 -7.618 -1.929 3.120 88 HG11 VAL 23 HG11 VAL 23 -7.292 -3.453 5.730 89 HG12 VAL 23 HG12 VAL 23 -7.938 -1.810 5.585 90 HG13 VAL 23 HG13 VAL 23 -8.810 -3.154 4.856 91 HG21 VAL 23 HG21 VAL 23 -5.129 -2.420 4.813 92 HG22 VAL 23 HG22 VAL 23 -5.174 -1.567 3.252 93 HG23 VAL 23 HG23 VAL 23 -5.990 -0.878 4.655 94 H ALA 24 H ALA 24 -8.064 -3.869 0.770 95 HA ALA 24 HA ALA 24 -10.546 -4.835 1.932 96 HB1 ALA 24 HB1 ALA 24 -9.796 -4.363 -0.973 97 HB2 ALA 24 HB2 ALA 24 -11.433 -4.529 -0.311 98 HB3 ALA 24 HB3 ALA 24 -10.448 -3.127 0.144 99 H ALA 25 H ALA 25 -7.847 -6.423 0.322 100 HA ALA 25 HA ALA 25 -9.295 -8.932 -0.090 101 HB1 ALA 25 HB1 ALA 25 -6.311 -8.310 0.107 102 HB2 ALA 25 HB2 ALA 25 -7.030 -9.830 -0.472 103 HB3 ALA 25 HB3 ALA 25 -7.285 -8.322 -1.373 104 H LYS 26 H LYS 26 -6.796 -7.980 2.308 105 HA LYS 26 HA LYS 26 -8.279 -9.121 4.566 106 HB2 LYS 26 HB2 LYS 26 -5.477 -10.115 3.880 107 HB3 LYS 26 HB3 LYS 26 -6.299 -10.346 5.407 108 HG2 LYS 26 HG2 LYS 26 -6.743 -12.354 4.528 109 HG3 LYS 26 HG3 LYS 26 -8.169 -11.526 3.940 110 HD2 LYS 26 HD2 LYS 26 -7.115 -11.315 1.698 111 HD3 LYS 26 HD3 LYS 26 -5.596 -11.961 2.330 112 HE2 LYS 26 HE2 LYS 26 -6.612 -14.108 2.786 113 HE3 LYS 26 HE3 LYS 26 -8.228 -13.497 2.393 114 HZ1 LYS 26 HZ1 LYS 26 -7.111 -14.772 0.560 115 HZ2 LYS 26 HZ2 LYS 26 -6.007 -13.563 0.429 116 HZ3 LYS 26 HZ3 LYS 26 -7.580 -13.234 0.125 117 HA PRO 27 HA PRO 27 -6.281 -5.459 6.252 118 HB2 PRO 27 HB2 PRO 27 -6.414 -6.969 8.856 119 HB3 PRO 27 HB3 PRO 27 -6.795 -5.251 8.541 120 HG2 PRO 27 HG2 PRO 27 -8.805 -7.034 8.729 121 HG3 PRO 27 HG3 PRO 27 -8.818 -5.856 7.375 122 HD2 PRO 27 HD2 PRO 27 -7.939 -8.757 7.338 123 HD3 PRO 27 HD3 PRO 27 -8.967 -7.863 6.179 124 H GLU 28 H GLU 28 -4.850 -8.644 7.213 125 HA GLU 28 HA GLU 28 -2.191 -7.520 7.569 126 HB2 GLU 28 HB2 GLU 28 -1.434 -9.704 7.840 127 HB3 GLU 28 HB3 GLU 28 -3.044 -9.695 8.535 128 HG2 GLU 28 HG2 GLU 28 -3.895 -10.746 6.395 129 HG3 GLU 28 HG3 GLU 28 -2.220 -10.843 5.826 130 H SER 29 H SER 29 -3.963 -8.323 4.668 131 HA SER 29 HA SER 29 -1.661 -8.767 2.983 132 HB2 SER 29 HB2 SER 29 -4.582 -8.431 2.446 133 HB3 SER 29 HB3 SER 29 -3.428 -8.205 1.144 134 HG SER 29 HG SER 29 -3.327 -10.240 1.003 135 H TRP 30 H TRP 30 -2.911 -5.913 4.348 136 HA TRP 30 HA TRP 30 -2.036 -3.891 2.636 137 HB2 TRP 30 HB2 TRP 30 -3.117 -3.684 4.888 138 HB3 TRP 30 HB3 TRP 30 -1.560 -4.037 5.623 139 HD1 TRP 30 HD1 TRP 30 -2.902 -1.531 2.983 140 HE1 TRP 30 HE1 TRP 30 -1.864 0.777 3.384 141 HE3 TRP 30 HE3 TRP 30 0.022 -2.651 7.039 142 HZ2 TRP 30 HZ2 TRP 30 -0.067 2.002 5.267 143 HZ3 TRP 30 HZ3 TRP 30 1.356 -0.873 8.148 144 HH2 TRP 30 HH2 TRP 30 1.317 1.458 7.268 145 H GLN 31 H GLN 31 0.018 -5.918 4.767 146 HA GLN 31 HA GLN 31 2.414 -5.072 3.221 147 HB2 GLN 31 HB2 GLN 31 2.555 -5.155 5.717 148 HB3 GLN 31 HB3 GLN 31 2.241 -6.883 5.649 149 HG2 GLN 31 HG2 GLN 31 4.621 -6.459 5.932 150 HG3 GLN 31 HG3 GLN 31 4.344 -7.249 4.388 151 HE21 GLN 31 HE21 GLN 31 4.626 -5.907 2.391 152 HE22 GLN 31 HE22 GLN 31 5.678 -4.491 2.525 153 H ARG 32 H ARG 32 0.373 -7.938 3.790 154 HA ARG 32 HA ARG 32 2.211 -9.797 2.697 155 HB2 ARG 32 HB2 ARG 32 -0.119 -9.943 4.156 156 HB3 ARG 32 HB3 ARG 32 -0.642 -10.609 2.620 157 HG2 ARG 32 HG2 ARG 32 1.680 -11.614 4.310 158 HG3 ARG 32 HG3 ARG 32 0.045 -12.248 4.298 159 HD2 ARG 32 HD2 ARG 32 0.382 -12.649 1.768 160 HD3 ARG 32 HD3 ARG 32 2.107 -12.386 2.090 161 HE ARG 32 HE ARG 32 1.165 -14.249 4.005 162 HH11 ARG 32 HH11 ARG 32 1.804 -14.233 0.521 163 HH12 ARG 32 HH12 ARG 32 1.836 -15.982 0.480 164 HH21 ARG 32 HH21 ARG 32 0.944 -16.477 3.735 165 HH22 ARG 32 HH22 ARG 32 1.250 -17.149 2.169 166 H ASP 33 H ASP 33 -0.571 -8.257 1.032 167 HA ASP 33 HA ASP 33 0.168 -9.598 -1.528 168 HB2 ASP 33 HB2 ASP 33 -2.176 -7.951 -0.577 169 HB3 ASP 33 HB3 ASP 33 -1.819 -7.967 -2.289 170 H CYS 34 H CYS 34 0.425 -6.448 0.077 171 HA CYS 34 HA CYS 34 1.706 -5.290 -2.355 172 HB2 CYS 34 2HB CYS 34 0.429 -4.140 0.126 173 HB3 CYS 34 3HB CYS 34 1.473 -3.185 -0.909 174 H HIS 35 H HIS 35 3.794 -6.373 -2.146 175 HA HIS 35 HA HIS 35 5.562 -5.379 0.028 176 HB2 HIS 35 2HB HIS 35 5.984 -7.635 -0.728 177 HB3 HIS 35 3HB HIS 35 6.075 -7.123 -2.407 178 HD1 HIS 35 1HD HIS 35 8.208 -7.041 0.825 179 HD2 HIS 35 2HD HIS 35 8.386 -6.150 -3.287 180 HE1 HIS 35 1HE HIS 35 10.628 -6.556 0.311 181 H TYR 36 H TYR 36 5.537 -5.171 -3.579 182 HA TYR 36 HA TYR 36 7.355 -2.978 -3.700 183 HB2 TYR 36 HB2 TYR 36 5.271 -3.810 -5.762 184 HB3 TYR 36 HB3 TYR 36 6.696 -2.824 -6.047 185 HD1 TYR 36 HD1 TYR 36 9.017 -3.844 -5.606 186 HD2 TYR 36 HD2 TYR 36 5.415 -6.204 -5.908 187 HE1 TYR 36 HE1 TYR 36 10.384 -5.903 -5.868 188 HE2 TYR 36 HE2 TYR 36 6.786 -8.249 -6.205 189 HH TYR 36 HH TYR 36 10.370 -8.178 -6.165 190 H LEU 37 H LEU 37 3.758 -3.045 -3.771 191 HA LEU 37 HA LEU 37 3.594 -0.219 -4.146 192 HB2 LEU 37 HB2 LEU 37 1.833 -2.294 -4.394 193 HB3 LEU 37 HB3 LEU 37 1.300 -1.617 -2.860 194 HG LEU 37 HG LEU 37 1.066 0.624 -4.002 195 HD11 LEU 37 HD11 LEU 37 0.972 0.602 -6.519 196 HD12 LEU 37 HD12 LEU 37 1.678 -1.029 -6.502 197 HD13 LEU 37 HD13 LEU 37 2.611 0.358 -5.917 198 HD21 LEU 37 HD21 LEU 37 -0.458 -1.656 -5.344 199 HD22 LEU 37 HD22 LEU 37 -0.989 0.033 -5.200 200 HD23 LEU 37 HD23 LEU 37 -0.845 -0.982 -3.754 201 H LYS 38 H LYS 38 3.764 -2.108 -1.128 202 HA LYS 38 HA LYS 38 3.252 0.239 0.549 203 HB2 LYS 38 HB2 LYS 38 2.669 -2.022 1.279 204 HB3 LYS 38 HB3 LYS 38 4.383 -2.457 1.334 205 HG2 LYS 38 HG2 LYS 38 4.816 -0.989 3.146 206 HG3 LYS 38 HG3 LYS 38 3.302 -0.094 2.921 207 HD2 LYS 38 HD2 LYS 38 1.974 -1.967 3.660 208 HD3 LYS 38 HD3 LYS 38 3.377 -3.025 3.716 209 HE2 LYS 38 HE2 LYS 38 2.883 -0.608 5.515 210 HE3 LYS 38 HE3 LYS 38 2.634 -2.300 5.960 211 HZ1 LYS 38 HZ1 LYS 38 5.207 -0.986 5.377 212 HZ2 LYS 38 HZ2 LYS 38 5.053 -2.634 5.482 213 HZ3 LYS 38 HZ3 LYS 38 4.765 -1.694 6.784 214 H MET 39 H MET 39 6.098 -1.161 -0.974 215 HA MET 39 HA MET 39 7.946 0.662 0.348 216 HB2 MET 39 HB2 MET 39 8.520 -1.538 -0.760 217 HB3 MET 39 HB3 MET 39 8.323 -0.750 -2.325 218 HG2 MET 39 HG2 MET 39 10.192 0.261 -0.146 219 HG3 MET 39 HG3 MET 39 10.680 -0.920 -1.356 220 HE1 MET 39 HE1 MET 39 12.592 2.393 -2.275 221 HE2 MET 39 HE2 MET 39 11.985 2.076 -0.635 222 HE3 MET 39 HE3 MET 39 12.714 0.760 -1.584 223 H SER 40 H SER 40 6.285 0.722 -2.859 224 HA SER 40 HA SER 40 7.303 3.153 -3.779 225 HB2 SER 40 HB2 SER 40 6.111 1.559 -5.181 226 HB3 SER 40 HB3 SER 40 4.592 1.885 -4.319 227 HG SER 40 HG SER 40 4.917 3.059 -6.356 228 H ILE 41 H ILE 41 4.451 2.747 -1.620 229 HA ILE 41 HA ILE 41 3.748 5.561 -1.650 230 HB ILE 41 HB ILE 41 2.399 5.095 0.316 231 HG12 ILE 41 HG12 ILE 41 3.604 2.318 0.287 232 HG13 ILE 41 HG13 ILE 41 3.912 3.546 1.509 233 HG21 ILE 41 HG21 ILE 41 0.964 3.254 -0.749 234 HG22 ILE 41 HG22 ILE 41 1.353 4.626 -1.764 235 HG23 ILE 41 HG23 ILE 41 2.194 3.098 -1.988 236 HD11 ILE 41 HD11 ILE 41 2.365 2.082 2.490 237 HD12 ILE 41 HD12 ILE 41 1.441 3.528 2.049 238 HD13 ILE 41 HD13 ILE 41 1.326 2.049 1.061 239 H ALA 42 H ALA 42 6.058 3.686 0.298 240 HA ALA 42 HA ALA 42 6.707 5.880 2.085 241 HB1 ALA 42 HB1 ALA 42 8.195 3.294 1.455 242 HB2 ALA 42 HB2 ALA 42 8.522 4.393 2.800 243 HB3 ALA 42 HB3 ALA 42 6.974 3.523 2.726 244 H GLN 43 H GLN 43 8.301 4.490 -0.855 245 HA GLN 43 HA GLN 43 10.438 6.325 -0.904 246 HB2 GLN 43 HB2 GLN 43 9.909 4.070 -2.170 247 HB3 GLN 43 HB3 GLN 43 9.312 5.118 -3.448 248 HG2 GLN 43 HG2 GLN 43 12.086 5.285 -2.174 249 HG3 GLN 43 HG3 GLN 43 11.738 4.333 -3.608 250 HE21 GLN 43 HE21 GLN 43 13.367 7.017 -2.933 251 HE22 GLN 43 HE22 GLN 43 12.878 8.011 -4.291 252 H CYS 44 H CYS 44 7.166 6.744 -2.240 253 HA CYS 44 HA CYS 44 7.620 9.294 -3.490 254 HB2 CYS 44 2HB CYS 44 5.648 7.917 -3.838 255 HB3 CYS 44 3HB CYS 44 5.173 8.096 -2.147 256 H THR 45 H THR 45 7.110 8.375 -0.089 257 HA THR 45 HA THR 45 6.905 11.142 0.878 258 HB THR 45 HB THR 45 7.508 8.646 2.513 259 HG1 THR 45 HG1 THR 45 5.506 8.468 1.397 260 HG21 THR 45 HG21 THR 45 6.284 11.339 3.232 261 HG22 THR 45 HG22 THR 45 7.926 10.798 3.666 262 HG23 THR 45 HG23 THR 45 6.533 9.959 4.335 263 H SER 46 H SER 46 9.489 8.617 0.723 264 HA SER 46 HA SER 46 11.584 10.158 1.840 265 HB2 SER 46 HB2 SER 46 12.120 8.194 -0.383 266 HB3 SER 46 HB3 SER 46 13.056 8.536 1.075 267 HG SER 46 HG SER 46 11.088 7.574 2.193 268 H SER 47 H SER 47 10.271 10.215 -1.430 269 HA SER 47 HA SER 47 12.432 11.682 -2.672 270 HB2 SER 47 HB2 SER 47 9.469 11.519 -3.371 271 HB3 SER 47 HB3 SER 47 10.727 12.245 -4.386 272 HG SER 47 HG SER 47 10.508 9.524 -3.560 273 H HIS 48 H HIS 48 10.003 12.633 -0.433 274 HA HIS 48 HA HIS 48 9.257 14.481 0.464 275 HB2 HIS 48 2HB HIS 48 11.936 15.636 -0.351 276 HB3 HIS 48 3HB HIS 48 10.843 16.356 0.815 277 HD1 HIS 48 1HD HIS 48 10.215 14.460 2.967 278 HD2 HIS 48 2HD HIS 48 13.774 14.144 0.743 279 HE1 HIS 48 1HE HIS 48 11.830 13.109 4.389 280 HA PRO 49 HA PRO 49 7.463 17.282 -2.544 281 HB2 PRO 49 HB2 PRO 49 6.050 18.937 -0.981 282 HB3 PRO 49 HB3 PRO 49 5.669 17.188 -1.029 283 HG2 PRO 49 HG2 PRO 49 7.382 18.660 1.015 284 HG3 PRO 49 HG3 PRO 49 6.006 17.552 1.324 285 HD2 PRO 49 HD2 PRO 49 8.618 16.708 1.342 286 HD3 PRO 49 HD3 PRO 49 7.285 15.661 0.773 287 H ILE 50 H ILE 50 10.024 18.157 -0.496 288 HA ILE 50 HA ILE 50 10.336 20.823 -1.769 289 HB ILE 50 HB ILE 50 9.472 21.025 0.542 290 HG12 ILE 50 HG12 ILE 50 12.289 22.146 0.242 291 HG13 ILE 50 HG13 ILE 50 10.873 22.756 -0.621 292 HG21 ILE 50 HG21 ILE 50 10.868 20.513 2.474 293 HG22 ILE 50 HG22 ILE 50 10.626 19.041 1.540 294 HG23 ILE 50 HG23 ILE 50 12.171 19.910 1.441 295 HD11 ILE 50 HD11 ILE 50 11.256 24.162 1.281 296 HD12 ILE 50 HD12 ILE 50 9.772 23.239 1.577 297 HD13 ILE 50 HD13 ILE 50 11.289 22.781 2.391 298 H ILE 51 H ILE 51 12.364 21.501 -2.238 299 HA ILE 51 HA ILE 51 14.475 19.380 -2.319 300 HB ILE 51 HB ILE 51 13.822 21.328 -4.556 301 HG12 ILE 51 HG12 ILE 51 12.810 18.468 -4.247 302 HG13 ILE 51 HG13 ILE 51 11.824 19.932 -4.240 303 HG21 ILE 51 HG21 ILE 51 16.125 20.335 -4.472 304 HG22 ILE 51 HG22 ILE 51 15.403 18.715 -4.519 305 HG23 ILE 51 HG23 ILE 51 15.230 19.830 -5.894 306 HD11 ILE 51 HD11 ILE 51 13.325 18.818 -6.612 307 HD12 ILE 51 HD12 ILE 51 11.576 18.926 -6.367 308 HD13 ILE 51 HD13 ILE 51 12.531 20.409 -6.573 309 H ARG 52 H ARG 52 13.929 22.945 -2.646 310 HA ARG 52 HA ARG 52 16.577 23.606 -3.032 311 HB2 ARG 52 HB2 ARG 52 16.029 25.865 -2.710 312 HB3 ARG 52 HB3 ARG 52 14.652 25.068 -3.462 313 HG2 ARG 52 HG2 ARG 52 13.505 24.982 -1.238 314 HG3 ARG 52 HG3 ARG 52 14.877 25.834 -0.510 315 HD2 ARG 52 HD2 ARG 52 13.098 26.914 -2.740 316 HD3 ARG 52 HD3 ARG 52 12.981 27.327 -1.022 317 HE ARG 52 HE ARG 52 15.580 27.838 -2.391 318 HH11 ARG 52 HH11 ARG 52 12.607 29.429 -1.399 319 HH12 ARG 52 HH12 ARG 52 13.470 30.925 -1.080 320 HH21 ARG 52 HH21 ARG 52 16.485 29.721 -2.092 321 HH22 ARG 52 HH22 ARG 52 15.584 31.074 -1.400 322 H GLN 53 H GLN 53 15.396 22.730 0.048 323 HA GLN 53 HA GLN 53 17.306 23.747 1.870 324 HB2 GLN 53 HB2 GLN 53 16.078 20.965 1.588 325 HB3 GLN 53 HB3 GLN 53 16.969 21.529 3.009 326 HG2 GLN 53 HG2 GLN 53 15.317 23.328 3.359 327 HG3 GLN 53 HG3 GLN 53 14.379 22.778 1.970 328 HE21 GLN 53 HE21 GLN 53 13.706 22.915 4.952 329 HE22 GLN 53 HE22 GLN 53 13.157 21.258 5.276 330 H ILE 54 H ILE 54 17.693 21.093 -0.558 331 HA ILE 54 HA ILE 54 20.372 20.435 0.313 332 HB ILE 54 HB ILE 54 20.544 18.981 -1.508 333 HG12 ILE 54 HG12 ILE 54 18.274 20.428 -2.885 334 HG13 ILE 54 HG13 ILE 54 19.934 20.271 -3.399 335 HG21 ILE 54 HG21 ILE 54 17.610 18.856 -0.717 336 HG22 ILE 54 HG22 ILE 54 18.696 17.515 -1.127 337 HG23 ILE 54 HG23 ILE 54 18.945 18.418 0.367 338 HD11 ILE 54 HD11 ILE 54 19.596 17.794 -3.657 339 HD12 ILE 54 HD12 ILE 54 17.866 18.047 -3.310 340 HD13 ILE 54 HD13 ILE 54 18.602 18.796 -4.734 341 H ARG 55 H ARG 55 19.089 22.773 -1.988 342 HA ARG 55 HA ARG 55 21.619 23.343 -3.300 343 HB2 ARG 55 HB2 ARG 55 19.275 23.813 -4.227 344 HB3 ARG 55 HB3 ARG 55 19.202 25.195 -3.117 345 HG2 ARG 55 HG2 ARG 55 21.337 26.051 -4.155 346 HG3 ARG 55 HG3 ARG 55 21.269 24.704 -5.303 347 HD2 ARG 55 HD2 ARG 55 19.052 25.552 -6.102 348 HD3 ARG 55 HD3 ARG 55 19.206 26.939 -5.019 349 HE ARG 55 HE ARG 55 20.478 26.564 -7.592 350 HH11 ARG 55 HH11 ARG 55 20.906 28.315 -4.571 351 HH12 ARG 55 HH12 ARG 55 22.145 29.341 -5.249 352 HH21 ARG 55 HH21 ARG 55 22.149 27.748 -8.330 353 HH22 ARG 55 HH22 ARG 55 22.839 29.012 -7.322 354 H GLN 56 H GLN 56 19.818 24.853 -0.607 355 HA GLN 56 HA GLN 56 21.783 26.811 0.116 356 HB2 GLN 56 HB2 GLN 56 19.812 25.249 1.837 357 HB3 GLN 56 HB3 GLN 56 20.794 26.595 2.417 358 HG2 GLN 56 HG2 GLN 56 19.695 28.115 0.799 359 HG3 GLN 56 HG3 GLN 56 18.679 26.783 0.229 360 HE21 GLN 56 HE21 GLN 56 19.077 29.197 2.779 361 HE22 GLN 56 HE22 GLN 56 17.728 28.622 3.749 362 H ALA 57 H ALA 57 21.389 23.401 1.322 363 HA ALA 57 HA ALA 57 23.675 23.431 2.990 364 HB1 ALA 57 HB1 ALA 57 22.374 21.090 1.522 365 HB2 ALA 57 HB2 ALA 57 23.463 20.972 2.920 366 HB3 ALA 57 HB3 ALA 57 21.881 21.738 3.102 367 H CYS 58 H CYS 58 23.426 22.706 -0.483 368 HA CYS 58 HA CYS 58 26.096 21.790 -0.871 369 HB2 CYS 58 2HB CYS 58 24.238 21.291 -2.368 370 HB3 CYS 58 3HB CYS 58 24.031 22.990 -2.753 371 H ALA 59 H ALA 59 24.827 25.119 -0.691 372 HA ALA 59 HA ALA 59 26.619 26.397 -2.366 373 HB1 ALA 59 HB1 ALA 59 24.630 27.412 -1.337 374 HB2 ALA 59 HB2 ALA 59 25.451 27.454 0.239 375 HB3 ALA 59 HB3 ALA 59 26.067 28.428 -1.109 376 H GLN 60 H GLN 60 27.307 25.398 0.984 377 HA GLN 60 HA GLN 60 29.819 26.826 1.136 378 HB2 GLN 60 HB2 GLN 60 28.637 24.631 2.878 379 HB3 GLN 60 HB3 GLN 60 30.185 25.409 3.192 380 HG2 GLN 60 HG2 GLN 60 27.445 26.719 3.178 381 HG3 GLN 60 HG3 GLN 60 28.517 26.467 4.560 382 HE21 GLN 60 HE21 GLN 60 30.946 27.454 3.949 383 HE22 GLN 60 HE22 GLN 60 30.789 29.130 3.454 384 HA PRO 61 HA PRO 61 32.080 22.782 0.030 385 HB2 PRO 61 HB2 PRO 61 30.649 20.781 -1.282 386 HB3 PRO 61 HB3 PRO 61 31.115 20.788 0.443 387 HG2 PRO 61 HG2 PRO 61 28.483 21.564 -0.791 388 HG3 PRO 61 HG3 PRO 61 28.775 20.625 0.699 389 HD2 PRO 61 HD2 PRO 61 28.122 23.257 0.788 390 HD3 PRO 61 HD3 PRO 61 29.297 22.561 1.933 391 H PHE 62 H PHE 62 29.278 23.698 -2.088 392 HA PHE 62 HA PHE 62 30.569 23.563 -4.583 393 HB2 PHE 62 HB2 PHE 62 28.170 24.004 -4.192 394 HB3 PHE 62 HB3 PHE 62 28.545 25.606 -3.586 395 HD1 PHE 62 HD1 PHE 62 29.725 27.272 -5.225 396 HD2 PHE 62 HD2 PHE 62 27.710 23.666 -6.482 397 HE1 PHE 62 HE1 PHE 62 29.602 28.139 -7.529 398 HE2 PHE 62 HE2 PHE 62 27.569 24.560 -8.790 399 HZ PHE 62 HZ PHE 62 28.542 26.787 -9.331 400 H GLU 63 H GLU 63 30.470 26.332 -2.317 401 HA GLU 63 HA GLU 63 32.223 28.101 -3.679 402 HB2 GLU 63 HB2 GLU 63 30.662 28.582 -1.785 403 HB3 GLU 63 HB3 GLU 63 31.724 27.711 -0.703 404 HG2 GLU 63 HG2 GLU 63 33.495 29.446 -1.206 405 HG3 GLU 63 HG3 GLU 63 32.276 30.326 -2.150 406 H ALA 64 H ALA 64 32.958 25.482 -1.336 407 HA ALA 64 HA ALA 64 35.732 26.200 -1.040 408 HB1 ALA 64 HB1 ALA 64 34.215 23.684 -0.246 409 HB2 ALA 64 HB2 ALA 64 35.802 24.186 0.363 410 HB3 ALA 64 HB3 ALA 64 34.384 25.166 0.733 411 H PHE 65 H PHE 65 34.149 24.211 -3.443 412 HA PHE 65 HA PHE 65 36.845 23.265 -4.336 413 HB2 PHE 65 HB2 PHE 65 34.138 22.253 -5.197 414 HB3 PHE 65 HB3 PHE 65 35.711 21.628 -5.712 415 HD1 PHE 65 HD2 PHE 65 37.400 21.148 -3.599 416 HD2 PHE 65 HD1 PHE 65 33.090 21.107 -3.424 417 HE1 PHE 65 HE2 PHE 65 37.492 20.007 -1.405 418 HE2 PHE 65 HE1 PHE 65 33.203 20.032 -1.192 419 HZ PHE 65 HZ PHE 65 35.396 19.469 -0.188 420 H GLU 66 H GLU 66 34.195 25.392 -5.384 421 HA GLU 66 HA GLU 66 35.466 26.279 -7.818 422 HB2 GLU 66 HB2 GLU 66 33.211 26.976 -7.184 423 HB3 GLU 66 HB3 GLU 66 33.820 27.715 -5.697 424 HG2 GLU 66 HG2 GLU 66 35.145 29.332 -7.073 425 HG3 GLU 66 HG3 GLU 66 34.462 28.618 -8.540 426 H GLU 67 H GLU 67 36.082 26.997 -4.359 427 HA GLU 67 HA GLU 67 38.167 28.903 -4.620 428 HB2 GLU 67 HB2 GLU 67 37.017 28.340 -2.514 429 HB3 GLU 67 HB3 GLU 67 37.750 26.734 -2.540 430 HG2 GLU 67 HG2 GLU 67 40.026 27.849 -2.409 431 HG3 GLU 67 HG3 GLU 67 39.186 29.393 -2.210 432 H CYS 68 H CYS 68 38.259 25.333 -4.912 433 HA CYS 68 HA CYS 68 41.071 25.062 -4.639 434 HB2 CYS 68 2HB CYS 68 39.266 23.259 -4.559 435 HB3 CYS 68 3HB CYS 68 39.349 23.218 -6.325 436 H LEU 69 H LEU 69 39.109 25.510 -7.650 437 HA LEU 69 HA LEU 69 41.481 26.058 -9.195 438 HB2 LEU 69 HB2 LEU 69 38.566 25.718 -9.863 439 HB3 LEU 69 HB3 LEU 69 39.615 26.600 -10.964 440 HG LEU 69 HG LEU 69 41.210 24.659 -11.000 441 HD11 LEU 69 HD11 LEU 69 40.267 22.423 -10.423 442 HD12 LEU 69 HD12 LEU 69 38.926 23.230 -9.578 443 HD13 LEU 69 HD13 LEU 69 40.605 23.417 -9.016 444 HD21 LEU 69 HD21 LEU 69 38.389 24.097 -11.968 445 HD22 LEU 69 HD22 LEU 69 39.882 23.356 -12.575 446 HD23 LEU 69 HD23 LEU 69 39.600 25.086 -12.808 447 H ARG 70 H ARG 70 39.760 27.990 -7.025 448 HA ARG 70 HA ARG 70 40.312 30.519 -8.435 449 HB2 ARG 70 HB2 ARG 70 38.579 30.105 -6.540 450 HB3 ARG 70 HB3 ARG 70 39.956 30.221 -5.443 451 HG2 ARG 70 HG2 ARG 70 40.434 32.508 -6.320 452 HG3 ARG 70 HG3 ARG 70 39.060 32.356 -7.438 453 HD2 ARG 70 HD2 ARG 70 37.536 32.038 -5.497 454 HD3 ARG 70 HD3 ARG 70 38.914 32.220 -4.397 455 HE ARG 70 HE ARG 70 38.613 34.505 -6.190 456 HH11 ARG 70 HH11 ARG 70 37.298 33.135 -3.226 457 HH12 ARG 70 HH12 ARG 70 36.964 34.712 -2.540 458 HH21 ARG 70 HH21 ARG 70 38.020 36.486 -5.295 459 HH22 ARG 70 HH22 ARG 70 37.408 36.536 -3.663 460 H GLN 71 H GLN 71 42.001 28.483 -6.033 461 HA GLN 71 HA GLN 71 44.431 30.167 -6.459 462 HB2 GLN 71 HB2 GLN 71 45.155 29.749 -4.260 463 HB3 GLN 71 HB3 GLN 71 43.510 30.357 -4.249 464 HG2 GLN 71 HG2 GLN 71 42.734 27.934 -3.907 465 HG3 GLN 71 HG3 GLN 71 44.436 27.511 -3.688 466 HE21 GLN 71 HE21 GLN 71 45.180 27.640 -1.473 467 HE22 GLN 71 HE22 GLN 71 44.315 28.594 -0.277 468 H ASN 72 H ASN 72 43.411 27.072 -7.297 469 HA ASN 72 HA ASN 72 46.194 26.413 -8.134 470 HB2 ASN 72 HB2 ASN 72 44.170 24.259 -7.546 471 HB3 ASN 72 HB3 ASN 72 45.858 24.070 -7.803 472 HD21 ASN 72 HD21 ASN 72 43.453 25.183 -5.495 473 HD22 ASN 72 HD22 ASN 72 44.414 24.831 -4.048 474 H GLU 73 H GLU 73 44.304 27.938 -9.640 475 HA GLU 73 HA GLU 73 42.239 26.774 -10.978 476 HB2 GLU 73 HB2 GLU 73 43.081 29.166 -10.963 477 HB3 GLU 73 HB3 GLU 73 44.275 28.735 -12.174 478 HG2 GLU 73 HG2 GLU 73 42.492 28.213 -13.794 479 HG3 GLU 73 HG3 GLU 73 41.254 28.524 -12.568 480 H ALA 74 H ALA 74 45.609 26.409 -11.911 481 HA ALA 74 HA ALA 74 45.129 25.194 -14.532 482 HB1 ALA 74 HB1 ALA 74 46.954 26.785 -14.060 483 HB2 ALA 74 HB2 ALA 74 47.561 25.709 -12.772 484 HB3 ALA 74 HB3 ALA 74 47.638 25.197 -14.480 485 H ALA 75 H ALA 75 45.594 23.976 -11.271 486 HA ALA 75 HA ALA 75 47.057 21.567 -12.178 487 HB1 ALA 75 HB1 ALA 75 48.099 23.030 -10.485 488 HB2 ALA 75 HB2 ALA 75 46.720 22.738 -9.400 489 HB3 ALA 75 HB3 ALA 75 47.786 21.399 -9.862 490 H VAL 76 H VAL 76 44.637 21.284 -13.009 491 HA VAL 76 HA VAL 76 42.634 20.553 -11.182 492 HB VAL 76 HB VAL 76 42.773 19.757 -14.119 493 HG11 VAL 76 HG11 VAL 76 40.376 20.543 -12.400 494 HG12 VAL 76 HG12 VAL 76 40.335 20.068 -14.112 495 HG13 VAL 76 HG13 VAL 76 40.770 18.883 -12.889 496 HG21 VAL 76 HG21 VAL 76 41.601 21.974 -14.539 497 HG22 VAL 76 HG22 VAL 76 42.064 22.448 -12.891 498 HG23 VAL 76 HG23 VAL 76 43.300 22.105 -14.119 499 H GLY 77 H GLY 77 45.296 18.642 -12.215 500 HA2 GLY 77 HA2 GLY 77 44.277 15.989 -11.716 501 HA3 GLY 77 HA3 GLY 77 45.956 16.522 -11.606 502 H ASN 78 H ASN 78 45.029 18.662 -9.514 503 HA ASN 78 HA ASN 78 45.018 16.856 -7.151 504 HB2 ASN 78 HB2 ASN 78 45.376 19.865 -7.459 505 HB3 ASN 78 HB3 ASN 78 45.317 19.026 -5.910 506 HD21 ASN 78 HD21 ASN 78 46.996 17.297 -5.491 507 HD22 ASN 78 HD22 ASN 78 48.573 17.618 -6.214 508 H CYS 79 H CYS 79 42.732 18.892 -8.914 509 HA CYS 79 HA CYS 79 40.528 17.727 -7.469 510 HB2 CYS 79 2HB CYS 79 39.557 19.956 -6.748 511 HB3 CYS 79 3HB CYS 79 40.935 19.398 -5.818 512 H ALA 80 H ALA 80 38.776 17.617 -8.851 513 HA ALA 80 HA ALA 80 38.656 19.534 -11.165 514 HB1 ALA 80 HB1 ALA 80 37.479 17.794 -12.381 515 HB2 ALA 80 HB2 ALA 80 39.106 17.261 -11.907 516 HB3 ALA 80 HB3 ALA 80 37.681 16.664 -11.019 517 H GLU 81 H GLU 81 37.389 21.120 -10.385 518 HA GLU 81 HA GLU 81 35.435 20.721 -8.382 519 HB2 GLU 81 HB2 GLU 81 34.870 23.054 -8.649 520 HB3 GLU 81 HB3 GLU 81 36.598 22.767 -8.609 521 HG2 GLU 81 HG2 GLU 81 36.800 24.064 -10.378 522 HG3 GLU 81 HG3 GLU 81 36.129 22.754 -11.343 523 H HIS 82 H HIS 82 34.887 20.608 -11.938 524 HA HIS 82 HA HIS 82 32.021 20.865 -11.622 525 HB2 HIS 82 2HB HIS 82 33.787 19.596 -13.780 526 HB3 HIS 82 3HB HIS 82 32.043 19.572 -13.892 527 HD1 HIS 82 1HD HIS 82 30.837 21.712 -14.773 528 HD2 HIS 82 2HD HIS 82 34.977 22.077 -14.167 529 HE1 HIS 82 1HE HIS 82 31.567 23.790 -16.059 530 H MET 83 H MET 83 34.144 18.100 -11.265 531 HA MET 83 HA MET 83 31.884 16.211 -10.933 532 HB2 MET 83 HB2 MET 83 33.949 15.576 -12.143 533 HB3 MET 83 HB3 MET 83 34.915 15.864 -10.703 534 HG2 MET 83 HG2 MET 83 32.684 13.811 -10.924 535 HG3 MET 83 HG3 MET 83 34.371 13.462 -11.244 536 HE1 MET 83 HE1 MET 83 35.986 14.959 -8.879 537 HE2 MET 83 HE2 MET 83 36.072 13.597 -7.745 538 HE3 MET 83 HE3 MET 83 36.278 13.312 -9.486 539 H ARG 84 H ARG 84 34.473 17.676 -8.969 540 HA ARG 84 HA ARG 84 33.676 16.374 -6.544 541 HB2 ARG 84 HB2 ARG 84 35.962 17.078 -7.216 542 HB3 ARG 84 HB3 ARG 84 35.524 18.759 -6.920 543 HG2 ARG 84 HG2 ARG 84 35.339 18.385 -4.553 544 HG3 ARG 84 HG3 ARG 84 35.335 16.618 -4.752 545 HD2 ARG 84 HD2 ARG 84 37.634 16.587 -5.470 546 HD3 ARG 84 HD3 ARG 84 37.674 18.338 -5.654 547 HE ARG 84 HE ARG 84 38.293 18.543 -3.478 548 HH11 ARG 84 HH11 ARG 84 37.094 15.232 -3.720 549 HH12 ARG 84 HH12 ARG 84 37.383 14.965 -2.012 550 HH21 ARG 84 HH21 ARG 84 38.879 18.000 -1.495 551 HH22 ARG 84 HH22 ARG 84 38.508 16.417 -0.842 552 H ARG 85 H ARG 85 32.627 19.532 -7.917 553 HA ARG 85 HA ARG 85 31.359 20.408 -5.436 554 HB2 ARG 85 HB2 ARG 85 30.784 21.071 -8.357 555 HB3 ARG 85 HB3 ARG 85 29.886 21.733 -6.987 556 HG2 ARG 85 HG2 ARG 85 31.917 22.725 -6.058 557 HG3 ARG 85 HG3 ARG 85 32.870 22.180 -7.420 558 HD2 ARG 85 HD2 ARG 85 30.392 23.914 -7.789 559 HD3 ARG 85 HD3 ARG 85 31.944 24.615 -7.372 560 HE ARG 85 HE ARG 85 32.758 24.274 -9.486 561 HH11 ARG 85 HH11 ARG 85 29.525 22.733 -9.443 562 HH12 ARG 85 HH12 ARG 85 29.573 22.622 -11.179 563 HH21 ARG 85 HH21 ARG 85 32.582 24.032 -11.694 564 HH22 ARG 85 HH22 ARG 85 31.015 23.553 -12.349 565 H PHE 86 H PHE 86 30.126 18.455 -8.227 566 HA PHE 86 HA PHE 86 27.541 18.059 -7.054 567 HB2 PHE 86 HB2 PHE 86 27.985 17.611 -9.425 568 HB3 PHE 86 HB3 PHE 86 29.072 16.291 -9.003 569 HD1 PHE 86 HD1 PHE 86 28.159 14.174 -7.966 570 HD2 PHE 86 HD2 PHE 86 25.562 17.344 -9.320 571 HE1 PHE 86 HE1 PHE 86 26.196 12.684 -7.684 572 HE2 PHE 86 HE2 PHE 86 23.610 15.837 -9.078 573 HZ PHE 86 HZ PHE 86 23.915 13.517 -8.223 574 H LEU 87 H LEU 87 30.498 16.019 -6.903 575 HA LEU 87 HA LEU 87 29.419 13.898 -5.411 576 HB2 LEU 87 HB2 LEU 87 31.623 13.930 -6.608 577 HB3 LEU 87 HB3 LEU 87 32.255 15.017 -5.372 578 HG LEU 87 HG LEU 87 31.854 13.203 -3.650 579 HD11 LEU 87 HD11 LEU 87 30.156 11.866 -4.847 580 HD12 LEU 87 HD12 LEU 87 31.580 10.886 -4.471 581 HD13 LEU 87 HD13 LEU 87 31.337 11.494 -6.121 582 HD21 LEU 87 HD21 LEU 87 33.665 12.482 -5.991 583 HD22 LEU 87 HD22 LEU 87 33.798 11.862 -4.331 584 HD23 LEU 87 HD23 LEU 87 34.072 13.579 -4.652 585 H GLN 88 H GLN 88 31.097 16.835 -4.117 586 HA GLN 88 HA GLN 88 30.654 15.895 -1.403 587 HB2 GLN 88 HB2 GLN 88 31.733 18.527 -2.464 588 HB3 GLN 88 HB3 GLN 88 31.704 18.053 -0.761 589 HG2 GLN 88 HG2 GLN 88 33.259 16.681 -3.004 590 HG3 GLN 88 HG3 GLN 88 33.922 17.566 -1.636 591 HE21 GLN 88 HE21 GLN 88 33.214 16.633 0.625 592 HE22 GLN 88 HE22 GLN 88 32.990 14.887 0.715 593 H CYS 89 H CYS 89 28.688 17.885 -3.520 594 HA CYS 89 HA CYS 89 26.870 18.633 -1.324 595 HB2 CYS 89 2HB CYS 89 26.600 18.730 -4.355 596 HB3 CYS 89 3HB CYS 89 25.398 19.317 -3.207 597 H ALA 90 H ALA 90 27.203 15.839 -3.468 598 HA ALA 90 HA ALA 90 24.644 14.680 -2.624 599 HB1 ALA 90 HB1 ALA 90 25.530 12.722 -3.878 600 HB2 ALA 90 HB2 ALA 90 25.717 14.201 -4.822 601 HB3 ALA 90 HB3 ALA 90 27.117 13.491 -3.991 602 H GLU 91 H GLU 91 28.016 14.585 -1.469 603 HA GLU 91 HA GLU 91 27.528 12.621 0.588 604 HB2 GLU 91 HB2 GLU 91 29.752 13.347 -0.461 605 HB3 GLU 91 HB3 GLU 91 29.685 14.763 0.592 606 HG2 GLU 91 HG2 GLU 91 29.646 13.270 2.579 607 HG3 GLU 91 HG3 GLU 91 29.606 11.854 1.524 608 H GLN 92 H GLN 92 27.261 16.165 0.522 609 HA GLN 92 HA GLN 92 27.053 16.553 3.310 610 HB2 GLN 92 HB2 GLN 92 27.625 18.235 1.477 611 HB3 GLN 92 HB3 GLN 92 25.911 18.329 1.108 612 HG2 GLN 92 HG2 GLN 92 26.657 20.216 2.462 613 HG3 GLN 92 HG3 GLN 92 25.498 19.266 3.370 614 HE21 GLN 92 HE21 GLN 92 26.639 20.665 5.113 615 HE22 GLN 92 HE22 GLN 92 27.907 19.787 5.974 616 H VAL 93 H VAL 93 24.606 15.347 1.221 617 HA VAL 93 HA VAL 93 22.457 16.033 3.191 618 HB VAL 93 HB VAL 93 20.867 15.926 1.364 619 HG11 VAL 93 HG11 VAL 93 21.468 17.997 0.286 620 HG12 VAL 93 HG12 VAL 93 21.990 18.071 1.971 621 HG13 VAL 93 HG13 VAL 93 23.179 17.785 0.677 622 HG21 VAL 93 HG21 VAL 93 23.238 15.480 -0.476 623 HG22 VAL 93 HG22 VAL 93 21.916 14.342 -0.148 624 HG23 VAL 93 HG23 VAL 93 21.573 15.874 -0.959 Start of MODEL 6 1 H TYR 11 H TYR 11 0.356 13.126 2.360 2 HA TYR 11 HA TYR 11 1.648 10.773 1.280 3 HB2 TYR 11 HB2 TYR 11 -0.856 10.002 1.382 4 HB3 TYR 11 HB3 TYR 11 0.066 10.284 2.850 5 HD1 TYR 11 HD2 TYR 11 -2.237 12.124 0.469 6 HD2 TYR 11 HD1 TYR 11 -0.800 11.713 4.520 7 HE1 TYR 11 HE2 TYR 11 -3.778 13.938 1.208 8 HE2 TYR 11 HE1 TYR 11 -2.324 13.529 5.245 9 HH TYR 11 HH TYR 11 -4.005 14.921 4.644 10 H CYS 12 H CYS 12 0.782 9.549 -0.526 11 HA CYS 12 HA CYS 12 0.555 11.378 -2.894 12 HB2 CYS 12 2HB CYS 12 1.776 8.619 -2.631 13 HB3 CYS 12 3HB CYS 12 1.657 9.557 -4.122 14 H GLY 13 H GLY 13 -0.513 10.684 -4.836 15 HA2 GLY 13 HA2 GLY 13 -3.158 9.697 -4.481 16 HA3 GLY 13 HA3 GLY 13 -2.302 9.865 -6.024 17 H ARG 14 H ARG 14 -0.290 8.024 -5.849 18 HA ARG 14 HA ARG 14 -1.369 5.424 -6.181 19 HB2 ARG 14 HB2 ARG 14 0.911 4.619 -6.079 20 HB3 ARG 14 HB3 ARG 14 0.864 6.110 -7.014 21 HG2 ARG 14 HG2 ARG 14 1.893 7.376 -5.206 22 HG3 ARG 14 HG3 ARG 14 1.653 6.059 -4.068 23 HD2 ARG 14 HD2 ARG 14 3.838 5.852 -4.439 24 HD3 ARG 14 HD3 ARG 14 3.193 4.642 -5.537 25 HE ARG 14 HE ARG 14 4.444 7.270 -6.263 26 HH11 ARG 14 HH11 ARG 14 3.139 4.212 -7.596 27 HH12 ARG 14 HH12 ARG 14 3.933 4.527 -9.096 28 HH21 ARG 14 HH21 ARG 14 5.347 7.508 -8.123 29 HH22 ARG 14 HH22 ARG 14 5.026 6.376 -9.454 30 H GLU 15 H GLU 15 -0.553 7.048 -3.209 31 HA GLU 15 HA GLU 15 -0.090 4.624 -1.657 32 HB2 GLU 15 HB2 GLU 15 0.967 6.973 -1.366 33 HB3 GLU 15 HB3 GLU 15 -0.579 7.441 -0.650 34 HG2 GLU 15 HG2 GLU 15 -0.143 5.367 0.924 35 HG3 GLU 15 HG3 GLU 15 1.538 5.606 0.404 36 H LEU 16 H LEU 16 -2.662 7.108 -1.883 37 HA LEU 16 HA LEU 16 -4.434 5.796 0.004 38 HB2 LEU 16 HB2 LEU 16 -5.052 7.825 -2.189 39 HB3 LEU 16 HB3 LEU 16 -6.102 7.416 -0.835 40 HG LEU 16 HG LEU 16 -3.384 8.796 -0.622 41 HD11 LEU 16 HD11 LEU 16 -5.143 10.217 -1.602 42 HD12 LEU 16 HD12 LEU 16 -4.701 10.767 0.022 43 HD13 LEU 16 HD13 LEU 16 -6.209 9.862 -0.227 44 HD21 LEU 16 HD21 LEU 16 -5.450 8.235 1.539 45 HD22 LEU 16 HD22 LEU 16 -3.972 9.201 1.728 46 HD23 LEU 16 HD23 LEU 16 -3.844 7.470 1.413 47 H GLU 17 H GLU 17 -3.982 5.544 -3.490 48 HA GLU 17 HA GLU 17 -6.269 3.877 -4.036 49 HB2 GLU 17 HB2 GLU 17 -5.004 5.143 -5.754 50 HB3 GLU 17 HB3 GLU 17 -3.564 4.184 -5.435 51 HG2 GLU 17 HG2 GLU 17 -4.785 2.139 -6.223 52 HG3 GLU 17 HG3 GLU 17 -6.175 3.158 -6.617 53 H GLN 18 H GLN 18 -2.801 2.976 -3.605 54 HA GLN 18 HA GLN 18 -3.494 0.175 -3.743 55 HB2 GLN 18 HB2 GLN 18 -0.871 1.563 -3.114 56 HB3 GLN 18 HB3 GLN 18 -1.053 -0.164 -3.419 57 HG2 GLN 18 HG2 GLN 18 -1.801 2.025 -5.428 58 HG3 GLN 18 HG3 GLN 18 -0.279 1.173 -5.422 59 HE21 GLN 18 HE21 GLN 18 -2.747 1.293 -7.380 60 HE22 GLN 18 HE22 GLN 18 -2.971 -0.417 -7.695 61 H TYR 19 H TYR 19 -2.824 2.354 -0.940 62 HA TYR 19 HA TYR 19 -2.861 0.210 1.010 63 HB2 TYR 19 HB2 TYR 19 -2.098 2.571 1.399 64 HB3 TYR 19 HB3 TYR 19 -3.774 3.092 1.331 65 HD1 TYR 19 HD2 TYR 19 -5.342 2.516 3.196 66 HD2 TYR 19 HD1 TYR 19 -1.162 1.441 3.335 67 HE1 TYR 19 HE2 TYR 19 -5.495 2.225 5.658 68 HE2 TYR 19 HE1 TYR 19 -1.326 1.142 5.804 69 HH TYR 19 HH TYR 19 -4.426 1.544 7.549 70 H GLY 20 H GLY 20 -5.459 2.152 -0.593 71 HA2 GLY 20 HA2 GLY 20 -7.597 0.919 0.880 72 HA3 GLY 20 HA3 GLY 20 -7.752 1.869 -0.621 73 H GLN 21 H GLN 21 -5.788 -0.269 -1.852 74 HA GLN 21 HA GLN 21 -7.695 -2.520 -2.242 75 HB2 GLN 21 HB2 GLN 21 -4.935 -1.812 -3.334 76 HB3 GLN 21 HB3 GLN 21 -5.512 -3.469 -3.434 77 HG2 GLN 21 HG2 GLN 21 -6.941 -1.033 -4.573 78 HG3 GLN 21 HG3 GLN 21 -5.977 -2.178 -5.506 79 HE21 GLN 21 HE21 GLN 21 -9.054 -1.438 -5.280 80 HE22 GLN 21 HE22 GLN 21 -9.834 -3.010 -5.142 81 H CYS 22 H CYS 22 -4.371 -2.175 -0.898 82 HA CYS 22 HA CYS 22 -4.432 -4.942 -0.231 83 HB2 CYS 22 2HB CYS 22 -2.416 -2.807 0.504 84 HB3 CYS 22 3HB CYS 22 -2.192 -4.553 0.630 85 H VAL 23 H VAL 23 -5.320 -2.157 1.856 86 HA VAL 23 HA VAL 23 -5.381 -4.046 4.161 87 HB VAL 23 HB VAL 23 -4.750 -1.503 4.255 88 HG11 VAL 23 HG11 VAL 23 -7.759 -1.252 4.685 89 HG12 VAL 23 HG12 VAL 23 -6.534 0.012 4.834 90 HG13 VAL 23 HG13 VAL 23 -6.905 -0.664 3.243 91 HG21 VAL 23 HG21 VAL 23 -6.592 -2.739 6.333 92 HG22 VAL 23 HG22 VAL 23 -4.839 -3.008 6.188 93 HG23 VAL 23 HG23 VAL 23 -5.458 -1.397 6.584 94 H ALA 24 H ALA 24 -7.563 -3.001 1.658 95 HA ALA 24 HA ALA 24 -9.963 -3.443 3.240 96 HB1 ALA 24 HB1 ALA 24 -11.117 -2.985 1.127 97 HB2 ALA 24 HB2 ALA 24 -9.852 -1.785 1.434 98 HB3 ALA 24 HB3 ALA 24 -9.583 -3.086 0.241 99 H ALA 25 H ALA 25 -8.019 -5.478 1.088 100 HA ALA 25 HA ALA 25 -9.964 -7.591 0.792 101 HB1 ALA 25 HB1 ALA 25 -7.992 -8.886 0.021 102 HB2 ALA 25 HB2 ALA 25 -8.078 -7.289 -0.747 103 HB3 ALA 25 HB3 ALA 25 -6.917 -7.578 0.560 104 H LYS 26 H LYS 26 -7.078 -7.314 2.859 105 HA LYS 26 HA LYS 26 -8.386 -8.448 5.215 106 HB2 LYS 26 HB2 LYS 26 -5.923 -9.661 3.886 107 HB3 LYS 26 HB3 LYS 26 -6.236 -9.886 5.595 108 HG2 LYS 26 HG2 LYS 26 -8.103 -10.869 3.413 109 HG3 LYS 26 HG3 LYS 26 -6.902 -11.837 4.253 110 HD2 LYS 26 HD2 LYS 26 -7.996 -11.340 6.428 111 HD3 LYS 26 HD3 LYS 26 -9.291 -10.472 5.574 112 HE2 LYS 26 HE2 LYS 26 -9.971 -12.514 4.429 113 HE3 LYS 26 HE3 LYS 26 -8.571 -13.384 5.076 114 HZ1 LYS 26 HZ1 LYS 26 -10.584 -13.872 6.363 115 HZ2 LYS 26 HZ2 LYS 26 -10.782 -12.300 6.762 116 HZ3 LYS 26 HZ3 LYS 26 -9.470 -13.134 7.298 117 HA PRO 27 HA PRO 27 -5.620 -5.363 6.997 118 HB2 PRO 27 HB2 PRO 27 -5.012 -6.433 9.472 119 HB3 PRO 27 HB3 PRO 27 -6.569 -5.658 9.062 120 HG2 PRO 27 HG2 PRO 27 -5.901 -8.618 9.048 121 HG3 PRO 27 HG3 PRO 27 -7.319 -7.808 9.788 122 HD2 PRO 27 HD2 PRO 27 -7.485 -8.976 7.357 123 HD3 PRO 27 HD3 PRO 27 -8.312 -7.421 7.665 124 H GLU 28 H GLU 28 -4.539 -8.753 6.808 125 HA GLU 28 HA GLU 28 -1.697 -8.019 6.920 126 HB2 GLU 28 HB2 GLU 28 -1.219 -10.326 6.819 127 HB3 GLU 28 HB3 GLU 28 -2.552 -10.090 7.945 128 HG2 GLU 28 HG2 GLU 28 -4.117 -10.721 6.001 129 HG3 GLU 28 HG3 GLU 28 -2.670 -11.215 5.115 130 H SER 29 H SER 29 -3.980 -7.958 4.349 131 HA SER 29 HA SER 29 -2.213 -8.923 2.274 132 HB2 SER 29 HB2 SER 29 -4.873 -7.562 2.344 133 HB3 SER 29 HB3 SER 29 -3.962 -7.562 0.827 134 HG SER 29 HG SER 29 -4.220 -9.630 0.629 135 H TRP 30 H TRP 30 -2.276 -5.896 3.947 136 HA TRP 30 HA TRP 30 -0.780 -4.245 2.149 137 HB2 TRP 30 HB2 TRP 30 -1.804 -3.589 4.309 138 HB3 TRP 30 HB3 TRP 30 -0.617 -4.557 5.158 139 HD1 TRP 30 HD1 TRP 30 0.952 -2.464 2.430 140 HE1 TRP 30 HE1 TRP 30 2.133 -0.407 3.485 141 HE3 TRP 30 HE3 TRP 30 -0.900 -2.786 7.200 142 HZ2 TRP 30 HZ2 TRP 30 2.260 0.883 6.024 143 HZ3 TRP 30 HZ3 TRP 30 -0.216 -1.130 8.922 144 HH2 TRP 30 HH2 TRP 30 1.355 0.703 8.347 145 H GLN 31 H GLN 31 0.285 -6.961 4.223 146 HA GLN 31 HA GLN 31 3.045 -6.801 3.165 147 HB2 GLN 31 HB2 GLN 31 2.512 -7.335 5.585 148 HB3 GLN 31 HB3 GLN 31 1.742 -8.817 5.034 149 HG2 GLN 31 HG2 GLN 31 3.901 -9.416 5.778 150 HG3 GLN 31 HG3 GLN 31 3.969 -9.524 4.030 151 HE21 GLN 31 HE21 GLN 31 6.351 -9.472 5.159 152 HE22 GLN 31 HE22 GLN 31 7.085 -7.864 5.068 153 H ARG 32 H ARG 32 0.200 -8.973 2.996 154 HA ARG 32 HA ARG 32 1.669 -10.871 1.343 155 HB2 ARG 32 HB2 ARG 32 -1.183 -11.021 2.354 156 HB3 ARG 32 HB3 ARG 32 -0.271 -12.305 1.562 157 HG2 ARG 32 HG2 ARG 32 1.501 -11.832 3.517 158 HG3 ARG 32 HG3 ARG 32 0.094 -11.130 4.321 159 HD2 ARG 32 HD2 ARG 32 0.181 -13.390 5.036 160 HD3 ARG 32 HD3 ARG 32 -1.127 -13.327 3.842 161 HE ARG 32 HE ARG 32 1.537 -14.037 2.773 162 HH11 ARG 32 HH11 ARG 32 -1.423 -15.489 4.061 163 HH12 ARG 32 HH12 ARG 32 -0.945 -17.067 3.488 164 HH21 ARG 32 HH21 ARG 32 1.948 -15.946 1.984 165 HH22 ARG 32 HH22 ARG 32 0.837 -17.301 2.185 166 H ASP 33 H ASP 33 -0.606 -8.384 0.380 167 HA ASP 33 HA ASP 33 -0.790 -9.656 -2.329 168 HB2 ASP 33 HB2 ASP 33 -2.529 -7.691 -0.869 169 HB3 ASP 33 HB3 ASP 33 -2.426 -7.565 -2.611 170 H CYS 34 H CYS 34 0.395 -6.604 -0.762 171 HA CYS 34 HA CYS 34 1.963 -6.221 -3.287 172 HB2 CYS 34 2HB CYS 34 1.404 -3.880 -3.289 173 HB3 CYS 34 3HB CYS 34 -0.030 -4.865 -3.439 174 H HIS 35 H HIS 35 3.720 -7.191 -2.074 175 HA HIS 35 HA HIS 35 4.806 -5.838 0.232 176 HB2 HIS 35 2HB HIS 35 5.018 -8.255 -0.198 177 HB3 HIS 35 3HB HIS 35 5.968 -7.922 -1.645 178 HD1 HIS 35 1HD HIS 35 8.589 -7.785 -1.253 179 HD2 HIS 35 2HD HIS 35 6.228 -7.378 2.221 180 HE1 HIS 35 1HE HIS 35 10.204 -7.671 0.709 181 H TYR 36 H TYR 36 5.700 -5.672 -3.223 182 HA TYR 36 HA TYR 36 8.014 -3.939 -2.612 183 HB2 TYR 36 HB2 TYR 36 8.267 -3.865 -5.096 184 HB3 TYR 36 HB3 TYR 36 8.492 -5.410 -4.314 185 HD1 TYR 36 HD1 TYR 36 6.933 -7.285 -4.648 186 HD2 TYR 36 HD2 TYR 36 6.447 -3.529 -6.718 187 HE1 TYR 36 HE1 TYR 36 5.427 -8.382 -6.293 188 HE2 TYR 36 HE2 TYR 36 4.938 -4.630 -8.362 189 HH TYR 36 HH TYR 36 3.986 -6.619 -9.062 190 H LEU 37 H LEU 37 4.681 -3.551 -3.911 191 HA LEU 37 HA LEU 37 4.983 -0.686 -4.198 192 HB2 LEU 37 HB2 LEU 37 2.744 -2.621 -4.357 193 HB3 LEU 37 HB3 LEU 37 2.302 -1.025 -3.764 194 HG LEU 37 HG LEU 37 3.289 0.039 -5.745 195 HD11 LEU 37 HD11 LEU 37 3.807 -2.806 -6.712 196 HD12 LEU 37 HD12 LEU 37 5.041 -1.567 -6.370 197 HD13 LEU 37 HD13 LEU 37 3.918 -1.345 -7.712 198 HD21 LEU 37 HD21 LEU 37 0.908 -0.728 -5.703 199 HD22 LEU 37 HD22 LEU 37 1.398 -2.218 -6.521 200 HD23 LEU 37 HD23 LEU 37 1.594 -0.653 -7.335 201 H LYS 38 H LYS 38 4.056 -2.690 -1.335 202 HA LYS 38 HA LYS 38 3.469 -0.599 0.443 203 HB2 LYS 38 HB2 LYS 38 3.214 -2.875 1.129 204 HB3 LYS 38 HB3 LYS 38 4.907 -3.261 0.812 205 HG2 LYS 38 HG2 LYS 38 5.635 -1.940 2.726 206 HG3 LYS 38 HG3 LYS 38 3.979 -1.373 2.991 207 HD2 LYS 38 HD2 LYS 38 3.243 -3.657 3.509 208 HD3 LYS 38 HD3 LYS 38 4.884 -4.267 3.206 209 HE2 LYS 38 HE2 LYS 38 5.751 -2.844 5.025 210 HE3 LYS 38 HE3 LYS 38 4.132 -2.186 5.324 211 HZ1 LYS 38 HZ1 LYS 38 3.400 -4.303 6.084 212 HZ2 LYS 38 HZ2 LYS 38 4.840 -4.065 6.805 213 HZ3 LYS 38 HZ3 LYS 38 4.746 -5.079 5.516 214 H MET 39 H MET 39 6.733 -1.610 -0.605 215 HA MET 39 HA MET 39 8.025 0.475 0.981 216 HB2 MET 39 HB2 MET 39 9.264 -1.528 0.351 217 HB3 MET 39 HB3 MET 39 9.051 -1.172 -1.365 218 HG2 MET 39 HG2 MET 39 11.297 -0.541 -0.537 219 HG3 MET 39 HG3 MET 39 10.410 0.813 -1.214 220 HE1 MET 39 HE1 MET 39 11.937 -0.864 1.909 221 HE2 MET 39 HE2 MET 39 11.445 0.185 3.254 222 HE3 MET 39 HE3 MET 39 10.247 -0.860 2.462 223 H SER 40 H SER 40 7.254 0.215 -2.561 224 HA SER 40 HA SER 40 8.315 2.755 -3.164 225 HB2 SER 40 HB2 SER 40 6.284 1.036 -4.606 226 HB3 SER 40 HB3 SER 40 6.906 2.565 -5.274 227 HG SER 40 HG SER 40 8.132 0.580 -5.818 228 H ILE 41 H ILE 41 4.994 2.075 -1.993 229 HA ILE 41 HA ILE 41 4.209 4.867 -2.423 230 HB ILE 41 HB ILE 41 2.204 4.429 -1.327 231 HG12 ILE 41 HG12 ILE 41 3.335 1.790 -0.340 232 HG13 ILE 41 HG13 ILE 41 2.857 3.179 0.622 233 HG21 ILE 41 HG21 ILE 41 2.519 3.598 -3.655 234 HG22 ILE 41 HG22 ILE 41 2.748 1.970 -3.006 235 HG23 ILE 41 HG23 ILE 41 1.212 2.817 -2.776 236 HD11 ILE 41 HD11 ILE 41 0.486 2.852 -0.102 237 HD12 ILE 41 HD12 ILE 41 0.988 1.357 -0.934 238 HD13 ILE 41 HD13 ILE 41 1.161 1.495 0.821 239 H ALA 42 H ALA 42 5.665 3.038 0.271 240 HA ALA 42 HA ALA 42 5.425 5.132 2.214 241 HB1 ALA 42 HB1 ALA 42 7.151 3.887 3.427 242 HB2 ALA 42 HB2 ALA 42 5.907 2.795 2.803 243 HB3 ALA 42 HB3 ALA 42 7.487 2.895 1.996 244 H GLN 43 H GLN 43 8.047 4.395 -0.189 245 HA GLN 43 HA GLN 43 9.665 6.653 0.546 246 HB2 GLN 43 HB2 GLN 43 9.385 5.322 -2.182 247 HB3 GLN 43 HB3 GLN 43 10.642 6.472 -1.708 248 HG2 GLN 43 HG2 GLN 43 11.199 4.789 0.194 249 HG3 GLN 43 HG3 GLN 43 10.250 3.627 -0.741 250 HE21 GLN 43 HE21 GLN 43 10.964 3.822 -3.363 251 HE22 GLN 43 HE22 GLN 43 12.703 3.853 -3.522 252 H CYS 44 H CYS 44 6.839 6.485 -1.666 253 HA CYS 44 HA CYS 44 7.047 9.210 -2.542 254 HB2 CYS 44 2HB CYS 44 5.690 7.334 -3.538 255 HB3 CYS 44 3HB CYS 44 4.482 7.621 -2.274 256 H THR 45 H THR 45 5.281 7.747 0.243 257 HA THR 45 HA THR 45 4.526 10.316 1.347 258 HB THR 45 HB THR 45 3.806 7.680 1.779 259 HG1 THR 45 HG1 THR 45 2.294 8.950 2.102 260 HG21 THR 45 HG21 THR 45 5.525 7.351 3.577 261 HG22 THR 45 HG22 THR 45 3.839 7.271 4.114 262 HG23 THR 45 HG23 THR 45 4.792 8.720 4.451 263 H SER 46 H SER 46 7.525 8.884 1.155 264 HA SER 46 HA SER 46 8.700 10.537 3.323 265 HB2 SER 46 HB2 SER 46 10.144 8.388 1.788 266 HB3 SER 46 HB3 SER 46 10.610 9.169 3.302 267 HG SER 46 HG SER 46 8.370 7.453 2.878 268 H SER 47 H SER 47 7.757 11.327 0.460 269 HA SER 47 HA SER 47 10.298 12.484 -0.611 270 HB2 SER 47 HB2 SER 47 7.540 12.344 -1.868 271 HB3 SER 47 HB3 SER 47 9.012 12.958 -2.630 272 HG SER 47 HG SER 47 8.902 10.321 -1.568 273 H HIS 48 H HIS 48 7.123 13.497 0.638 274 HA HIS 48 HA HIS 48 6.370 15.422 1.539 275 HB2 HIS 48 2HB HIS 48 9.231 16.320 1.895 276 HB3 HIS 48 3HB HIS 48 7.860 16.612 2.946 277 HD1 HIS 48 1HD HIS 48 10.832 14.799 3.257 278 HD2 HIS 48 2HD HIS 48 6.758 13.844 3.685 279 HE1 HIS 48 1HE HIS 48 10.719 12.740 4.769 280 HA PRO 49 HA PRO 49 6.448 18.945 -1.316 281 HB2 PRO 49 HB2 PRO 49 7.393 20.909 0.749 282 HB3 PRO 49 HB3 PRO 49 5.969 20.997 -0.332 283 HG2 PRO 49 HG2 PRO 49 5.672 20.392 2.297 284 HG3 PRO 49 HG3 PRO 49 4.731 19.502 1.056 285 HD2 PRO 49 HD2 PRO 49 7.312 18.677 2.412 286 HD3 PRO 49 HD3 PRO 49 5.814 17.716 2.184 287 H ILE 50 H ILE 50 7.827 20.088 -2.723 288 HA ILE 50 HA ILE 50 10.755 19.770 -2.285 289 HB ILE 50 HB ILE 50 9.345 20.539 -4.851 290 HG12 ILE 50 HG12 ILE 50 8.587 18.309 -4.351 291 HG13 ILE 50 HG13 ILE 50 9.771 18.247 -5.639 292 HG21 ILE 50 HG21 ILE 50 11.525 19.851 -5.873 293 HG22 ILE 50 HG22 ILE 50 11.688 21.238 -4.798 294 HG23 ILE 50 HG23 ILE 50 12.205 19.636 -4.243 295 HD11 ILE 50 HD11 ILE 50 10.083 16.382 -4.088 296 HD12 ILE 50 HD12 ILE 50 11.496 17.440 -4.018 297 HD13 ILE 50 HD13 ILE 50 10.279 17.486 -2.721 298 H ILE 51 H ILE 51 10.392 21.314 -0.576 299 HA ILE 51 HA ILE 51 9.861 24.085 -1.114 300 HB ILE 51 HB ILE 51 9.519 22.856 1.037 301 HG12 ILE 51 HG12 ILE 51 11.096 25.448 1.245 302 HG13 ILE 51 HG13 ILE 51 9.380 25.284 0.872 303 HG21 ILE 51 HG21 ILE 51 12.516 23.205 1.474 304 HG22 ILE 51 HG22 ILE 51 11.335 22.505 2.598 305 HG23 ILE 51 HG23 ILE 51 11.710 21.664 1.100 306 HD11 ILE 51 HD11 ILE 51 9.022 24.202 3.101 307 HD12 ILE 51 HD12 ILE 51 10.724 24.548 3.498 308 HD13 ILE 51 HD13 ILE 51 9.599 25.879 3.188 309 H ARG 52 H ARG 52 11.373 25.866 -0.940 310 HA ARG 52 HA ARG 52 13.127 25.816 -2.967 311 HB2 ARG 52 HB2 ARG 52 12.134 27.804 -1.751 312 HB3 ARG 52 HB3 ARG 52 13.439 27.676 -0.582 313 HG2 ARG 52 HG2 ARG 52 13.842 29.436 -2.227 314 HG3 ARG 52 HG3 ARG 52 15.097 28.202 -2.281 315 HD2 ARG 52 HD2 ARG 52 14.467 29.003 -4.526 316 HD3 ARG 52 HD3 ARG 52 14.208 27.277 -4.325 317 HE ARG 52 HE ARG 52 11.812 27.631 -4.202 318 HH11 ARG 52 HH11 ARG 52 13.375 30.702 -5.095 319 HH12 ARG 52 HH12 ARG 52 11.926 31.137 -6.001 320 HH21 ARG 52 HH21 ARG 52 10.071 28.475 -5.149 321 HH22 ARG 52 HH22 ARG 52 10.195 30.033 -5.961 322 H GLN 53 H GLN 53 14.362 25.321 0.398 323 HA GLN 53 HA GLN 53 17.125 25.241 -0.372 324 HB2 GLN 53 HB2 GLN 53 16.196 25.556 1.908 325 HB3 GLN 53 HB3 GLN 53 15.715 23.847 1.934 326 HG2 GLN 53 HG2 GLN 53 18.093 23.180 1.786 327 HG3 GLN 53 HG3 GLN 53 18.569 24.879 1.651 328 HE21 GLN 53 HE21 GLN 53 19.913 23.933 3.585 329 HE22 GLN 53 HE22 GLN 53 19.158 24.113 5.180 330 H ILE 54 H ILE 54 14.635 22.755 -0.557 331 HA ILE 54 HA ILE 54 16.519 20.572 -1.200 332 HB ILE 54 HB ILE 54 13.481 20.623 -1.255 333 HG12 ILE 54 HG12 ILE 54 14.161 21.051 1.026 334 HG13 ILE 54 HG13 ILE 54 13.532 19.424 0.883 335 HG21 ILE 54 HG21 ILE 54 15.454 18.308 -1.381 336 HG22 ILE 54 HG22 ILE 54 13.704 18.134 -1.132 337 HG23 ILE 54 HG23 ILE 54 14.316 18.825 -2.637 338 HD11 ILE 54 HD11 ILE 54 16.490 20.166 1.065 339 HD12 ILE 54 HD12 ILE 54 15.485 19.497 2.358 340 HD13 ILE 54 HD13 ILE 54 15.848 18.509 0.932 341 H ARG 55 H ARG 55 14.167 22.679 -2.867 342 HA ARG 55 HA ARG 55 14.433 21.736 -5.535 343 HB2 ARG 55 HB2 ARG 55 12.865 23.519 -4.596 344 HB3 ARG 55 HB3 ARG 55 14.234 24.635 -4.623 345 HG2 ARG 55 HG2 ARG 55 14.409 24.282 -7.116 346 HG3 ARG 55 HG3 ARG 55 12.939 23.285 -7.017 347 HD2 ARG 55 HD2 ARG 55 11.759 25.230 -5.950 348 HD3 ARG 55 HD3 ARG 55 13.210 26.215 -6.179 349 HE ARG 55 HE ARG 55 11.241 25.374 -8.187 350 HH11 ARG 55 HH11 ARG 55 14.491 26.792 -7.820 351 HH12 ARG 55 HH12 ARG 55 14.458 27.361 -9.477 352 HH21 ARG 55 HH21 ARG 55 11.222 26.461 -10.109 353 HH22 ARG 55 HH22 ARG 55 12.610 27.404 -10.585 354 H GLN 56 H GLN 56 16.535 23.993 -3.745 355 HA GLN 56 HA GLN 56 18.452 24.218 -5.909 356 HB2 GLN 56 HB2 GLN 56 17.772 25.896 -4.073 357 HB3 GLN 56 HB3 GLN 56 18.892 25.045 -3.019 358 HG2 GLN 56 HG2 GLN 56 19.818 26.019 -5.750 359 HG3 GLN 56 HG3 GLN 56 19.549 27.194 -4.480 360 HE21 GLN 56 HE21 GLN 56 21.877 25.085 -5.782 361 HE22 GLN 56 HE22 GLN 56 23.039 25.298 -4.480 362 H ALA 57 H ALA 57 18.068 21.864 -3.350 363 HA ALA 57 HA ALA 57 20.830 20.897 -3.442 364 HB1 ALA 57 HB1 ALA 57 19.384 20.664 -1.426 365 HB2 ALA 57 HB2 ALA 57 18.315 19.577 -2.339 366 HB3 ALA 57 HB3 ALA 57 19.990 19.110 -2.021 367 H CYS 58 H CYS 58 17.720 19.924 -4.953 368 HA CYS 58 HA CYS 58 18.899 17.614 -6.279 369 HB2 CYS 58 2HB CYS 58 16.162 18.903 -6.380 370 HB3 CYS 58 3HB CYS 58 16.590 17.424 -7.246 371 H ALA 59 H ALA 59 20.424 19.750 -7.055 372 HA ALA 59 HA ALA 59 19.388 21.294 -9.160 373 HB1 ALA 59 HB1 ALA 59 21.644 22.245 -9.232 374 HB2 ALA 59 HB2 ALA 59 21.079 22.038 -7.568 375 HB3 ALA 59 HB3 ALA 59 22.261 20.895 -8.248 376 H GLN 60 H GLN 60 21.724 18.497 -9.509 377 HA GLN 60 HA GLN 60 21.875 18.934 -12.370 378 HB2 GLN 60 HB2 GLN 60 23.666 17.779 -11.110 379 HB3 GLN 60 HB3 GLN 60 22.621 16.375 -10.915 380 HG2 GLN 60 HG2 GLN 60 22.421 16.263 -13.444 381 HG3 GLN 60 HG3 GLN 60 23.555 17.607 -13.548 382 HE21 GLN 60 HE21 GLN 60 25.822 17.149 -12.494 383 HE22 GLN 60 HE22 GLN 60 26.392 15.493 -12.715 384 HA PRO 61 HA PRO 61 18.298 15.602 -12.615 385 HB2 PRO 61 HB2 PRO 61 17.039 16.433 -9.985 386 HB3 PRO 61 HB3 PRO 61 16.857 14.894 -10.881 387 HG2 PRO 61 HG2 PRO 61 18.536 15.016 -8.771 388 HG3 PRO 61 HG3 PRO 61 19.079 14.201 -10.277 389 HD2 PRO 61 HD2 PRO 61 19.719 16.993 -9.311 390 HD3 PRO 61 HD3 PRO 61 20.796 15.768 -10.028 391 H PHE 62 H PHE 62 18.006 18.817 -10.962 392 HA PHE 62 HA PHE 62 15.671 19.562 -12.424 393 HB2 PHE 62 HB2 PHE 62 17.488 20.849 -10.539 394 HB3 PHE 62 HB3 PHE 62 17.093 21.936 -11.848 395 HD1 PHE 62 HD1 PHE 62 15.455 19.578 -9.420 396 HD2 PHE 62 HD2 PHE 62 15.076 23.156 -11.800 397 HE1 PHE 62 HE1 PHE 62 13.209 20.002 -8.433 398 HE2 PHE 62 HE2 PHE 62 12.837 23.576 -10.808 399 HZ PHE 62 HZ PHE 62 11.894 21.993 -9.140 400 H GLU 63 H GLU 63 19.118 20.169 -13.245 401 HA GLU 63 HA GLU 63 18.458 21.498 -15.712 402 HB2 GLU 63 HB2 GLU 63 20.631 21.697 -14.551 403 HB3 GLU 63 HB3 GLU 63 21.019 20.024 -14.973 404 HG2 GLU 63 HG2 GLU 63 21.063 20.542 -17.328 405 HG3 GLU 63 HG3 GLU 63 20.305 22.120 -17.069 406 H ALA 64 H ALA 64 19.308 18.061 -15.039 407 HA ALA 64 HA ALA 64 19.432 17.171 -17.683 408 HB1 ALA 64 HB1 ALA 64 18.512 15.663 -15.189 409 HB2 ALA 64 HB2 ALA 64 19.149 14.930 -16.676 410 HB3 ALA 64 HB3 ALA 64 20.204 15.939 -15.664 411 H PHE 65 H PHE 65 16.458 17.910 -15.918 412 HA PHE 65 HA PHE 65 14.917 16.323 -17.934 413 HB2 PHE 65 HB2 PHE 65 14.150 17.145 -15.163 414 HB3 PHE 65 HB3 PHE 65 13.170 16.169 -16.265 415 HD1 PHE 65 HD2 PHE 65 15.274 14.297 -17.395 416 HD2 PHE 65 HD1 PHE 65 14.608 15.651 -13.364 417 HE1 PHE 65 HE2 PHE 65 16.347 12.266 -16.540 418 HE2 PHE 65 HE1 PHE 65 15.647 13.576 -12.509 419 HZ PHE 65 HZ PHE 65 16.512 11.868 -14.099 420 H GLU 66 H GLU 66 15.541 19.595 -17.016 421 HA GLU 66 HA GLU 66 13.386 20.529 -18.816 422 HB2 GLU 66 HB2 GLU 66 14.394 22.640 -18.726 423 HB3 GLU 66 HB3 GLU 66 14.229 22.033 -17.085 424 HG2 GLU 66 HG2 GLU 66 16.567 21.787 -16.837 425 HG3 GLU 66 HG3 GLU 66 16.874 21.787 -18.576 426 H GLU 67 H GLU 67 16.723 19.438 -18.978 427 HA GLU 67 HA GLU 67 17.282 20.155 -21.677 428 HB2 GLU 67 HB2 GLU 67 18.498 18.195 -19.732 429 HB3 GLU 67 HB3 GLU 67 19.114 18.356 -21.367 430 HG2 GLU 67 HG2 GLU 67 18.829 20.837 -19.637 431 HG3 GLU 67 HG3 GLU 67 20.190 19.732 -19.416 432 H CYS 68 H CYS 68 15.530 17.434 -20.333 433 HA CYS 68 HA CYS 68 15.388 15.704 -22.597 434 HB2 CYS 68 2HB CYS 68 13.287 16.456 -20.524 435 HB3 CYS 68 3HB CYS 68 13.077 15.208 -21.745 436 H LEU 69 H LEU 69 13.022 18.326 -21.748 437 HA LEU 69 HA LEU 69 11.835 18.362 -24.312 438 HB2 LEU 69 HB2 LEU 69 11.879 20.449 -22.095 439 HB3 LEU 69 HB3 LEU 69 10.844 20.516 -23.503 440 HG LEU 69 HG LEU 69 9.536 19.856 -21.677 441 HD11 LEU 69 HD11 LEU 69 10.042 17.302 -23.252 442 HD12 LEU 69 HD12 LEU 69 9.042 18.682 -23.798 443 HD13 LEU 69 HD13 LEU 69 8.574 17.750 -22.369 444 HD21 LEU 69 HD21 LEU 69 11.208 17.390 -21.127 445 HD22 LEU 69 HD22 LEU 69 9.837 18.030 -20.222 446 HD23 LEU 69 HD23 LEU 69 11.365 18.922 -20.223 447 H ARG 70 H ARG 70 14.621 20.168 -23.040 448 HA ARG 70 HA ARG 70 14.861 22.063 -25.138 449 HB2 ARG 70 HB2 ARG 70 16.116 21.906 -22.945 450 HB3 ARG 70 HB3 ARG 70 17.139 20.681 -23.698 451 HG2 ARG 70 HG2 ARG 70 16.798 23.435 -24.933 452 HG3 ARG 70 HG3 ARG 70 17.874 23.197 -23.563 453 HD2 ARG 70 HD2 ARG 70 18.145 21.775 -26.229 454 HD3 ARG 70 HD3 ARG 70 19.095 23.160 -25.682 455 HE ARG 70 HE ARG 70 19.592 21.486 -23.651 456 HH11 ARG 70 HH11 ARG 70 19.843 20.939 -27.102 457 HH12 ARG 70 HH12 ARG 70 20.864 19.528 -26.898 458 HH21 ARG 70 HH21 ARG 70 21.125 19.880 -23.477 459 HH22 ARG 70 HH22 ARG 70 21.718 19.109 -24.949 460 H GLN 71 H GLN 71 16.169 18.681 -25.085 461 HA GLN 71 HA GLN 71 17.012 18.955 -27.874 462 HB2 GLN 71 HB2 GLN 71 18.409 18.321 -25.894 463 HB3 GLN 71 HB3 GLN 71 17.395 16.903 -25.664 464 HG2 GLN 71 HG2 GLN 71 19.526 16.466 -26.630 465 HG3 GLN 71 HG3 GLN 71 18.224 15.898 -27.676 466 HE21 GLN 71 HE21 GLN 71 17.755 17.135 -29.652 467 HE22 GLN 71 HE22 GLN 71 19.055 18.070 -30.395 468 H ASN 72 H ASN 72 14.474 17.334 -26.098 469 HA ASN 72 HA ASN 72 13.481 15.857 -28.466 470 HB2 ASN 72 HB2 ASN 72 14.007 14.608 -25.725 471 HB3 ASN 72 HB3 ASN 72 13.242 13.813 -27.077 472 HD21 ASN 72 HD21 ASN 72 14.545 13.010 -28.865 473 HD22 ASN 72 HD22 ASN 72 16.264 12.852 -28.572 474 H GLU 73 H GLU 73 12.314 18.259 -27.351 475 HA GLU 73 HA GLU 73 10.206 17.708 -25.519 476 HB2 GLU 73 HB2 GLU 73 9.020 19.678 -26.600 477 HB3 GLU 73 HB3 GLU 73 10.529 19.966 -25.843 478 HG2 GLU 73 HG2 GLU 73 10.485 21.281 -27.791 479 HG3 GLU 73 HG3 GLU 73 11.656 20.010 -28.097 480 H ALA 74 H ALA 74 10.544 16.849 -28.875 481 HA ALA 74 HA ALA 74 7.770 16.355 -29.537 482 HB1 ALA 74 HB1 ALA 74 10.411 15.424 -30.755 483 HB2 ALA 74 HB2 ALA 74 8.829 15.338 -31.541 484 HB3 ALA 74 HB3 ALA 74 9.532 16.915 -31.169 485 H ALA 75 H ALA 75 10.035 14.614 -27.630 486 HA ALA 75 HA ALA 75 8.504 12.061 -27.837 487 HB1 ALA 75 HB1 ALA 75 11.496 12.403 -27.417 488 HB2 ALA 75 HB2 ALA 75 10.608 10.876 -27.549 489 HB3 ALA 75 HB3 ALA 75 10.723 11.954 -28.952 490 H VAL 76 H VAL 76 7.473 13.773 -26.097 491 HA VAL 76 HA VAL 76 8.660 13.821 -23.491 492 HB VAL 76 HB VAL 76 5.670 13.967 -24.127 493 HG11 VAL 76 HG11 VAL 76 6.119 13.849 -21.714 494 HG12 VAL 76 HG12 VAL 76 7.298 15.173 -21.850 495 HG13 VAL 76 HG13 VAL 76 5.571 15.464 -22.148 496 HG21 VAL 76 HG21 VAL 76 6.721 15.589 -25.558 497 HG22 VAL 76 HG22 VAL 76 5.995 16.453 -24.206 498 HG23 VAL 76 HG23 VAL 76 7.752 16.176 -24.231 499 H GLY 77 H GLY 77 6.833 11.387 -25.209 500 HA2 GLY 77 HA2 GLY 77 6.038 9.585 -23.206 501 HA3 GLY 77 HA3 GLY 77 6.600 9.146 -24.825 502 H ASN 78 H ASN 78 9.368 10.396 -24.125 503 HA ASN 78 HA ASN 78 10.452 8.123 -22.552 504 HB2 ASN 78 HB2 ASN 78 11.655 8.622 -24.559 505 HB3 ASN 78 HB3 ASN 78 11.719 10.349 -24.191 506 HD21 ASN 78 HD21 ASN 78 12.690 7.218 -22.690 507 HD22 ASN 78 HD22 ASN 78 14.201 7.867 -22.041 508 H CYS 79 H CYS 79 10.148 11.700 -22.245 509 HA CYS 79 HA CYS 79 10.727 11.517 -19.352 510 HB2 CYS 79 2HB CYS 79 12.939 11.706 -20.457 511 HB3 CYS 79 3HB CYS 79 12.352 13.083 -21.378 512 H ALA 80 H ALA 80 9.671 13.051 -18.202 513 HA ALA 80 HA ALA 80 8.794 15.578 -19.477 514 HB1 ALA 80 HB1 ALA 80 6.853 14.014 -19.421 515 HB2 ALA 80 HB2 ALA 80 7.065 13.837 -17.667 516 HB3 ALA 80 HB3 ALA 80 6.629 15.419 -18.359 517 H GLU 81 H GLU 81 8.952 17.377 -18.114 518 HA GLU 81 HA GLU 81 11.158 17.059 -16.424 519 HB2 GLU 81 HB2 GLU 81 11.238 19.410 -16.178 520 HB3 GLU 81 HB3 GLU 81 10.735 19.023 -17.806 521 HG2 GLU 81 HG2 GLU 81 9.156 20.558 -17.566 522 HG3 GLU 81 HG3 GLU 81 8.270 19.392 -16.604 523 H HIS 82 H HIS 82 7.810 17.851 -15.340 524 HA HIS 82 HA HIS 82 8.616 18.203 -12.655 525 HB2 HIS 82 2HB HIS 82 6.516 19.072 -13.670 526 HB3 HIS 82 3HB HIS 82 5.858 17.439 -13.683 527 HD1 HIS 82 1HD HIS 82 5.732 16.319 -10.985 528 HD2 HIS 82 2HD HIS 82 5.729 20.482 -11.648 529 HE1 HIS 82 1HE HIS 82 4.805 17.368 -8.876 530 H MET 83 H MET 83 7.353 15.294 -14.295 531 HA MET 83 HA MET 83 7.261 13.639 -11.962 532 HB2 MET 83 HB2 MET 83 6.038 13.195 -14.091 533 HB3 MET 83 HB3 MET 83 7.568 12.840 -14.892 534 HG2 MET 83 HG2 MET 83 6.390 10.801 -14.255 535 HG3 MET 83 HG3 MET 83 7.925 10.916 -13.400 536 HE1 MET 83 HE1 MET 83 5.331 8.974 -12.768 537 HE2 MET 83 HE2 MET 83 6.917 8.853 -11.983 538 HE3 MET 83 HE3 MET 83 5.444 8.959 -10.995 539 H ARG 84 H ARG 84 9.827 13.918 -14.512 540 HA ARG 84 HA ARG 84 11.481 11.927 -13.170 541 HB2 ARG 84 HB2 ARG 84 12.145 13.940 -15.348 542 HB3 ARG 84 HB3 ARG 84 13.217 12.653 -14.804 543 HG2 ARG 84 HG2 ARG 84 10.483 12.218 -16.083 544 HG3 ARG 84 HG3 ARG 84 12.028 12.105 -16.910 545 HD2 ARG 84 HD2 ARG 84 11.109 10.302 -14.644 546 HD3 ARG 84 HD3 ARG 84 11.112 9.893 -16.358 547 HE ARG 84 HE ARG 84 13.694 10.398 -16.162 548 HH11 ARG 84 HH11 ARG 84 11.845 8.307 -14.066 549 HH12 ARG 84 HH12 ARG 84 13.227 7.952 -13.044 550 HH21 ARG 84 HH21 ARG 84 15.385 9.445 -15.308 551 HH22 ARG 84 HH22 ARG 84 15.233 8.293 -13.984 552 H ARG 85 H ARG 85 11.406 15.493 -13.010 553 HA ARG 85 HA ARG 85 13.665 15.782 -11.224 554 HB2 ARG 85 HB2 ARG 85 11.140 17.441 -11.655 555 HB3 ARG 85 HB3 ARG 85 12.375 17.892 -10.482 556 HG2 ARG 85 HG2 ARG 85 14.056 18.156 -12.145 557 HG3 ARG 85 HG3 ARG 85 13.042 17.426 -13.396 558 HD2 ARG 85 HD2 ARG 85 11.597 19.271 -13.532 559 HD3 ARG 85 HD3 ARG 85 12.175 19.966 -12.008 560 HE ARG 85 HE ARG 85 14.371 19.925 -13.805 561 HH11 ARG 85 HH11 ARG 85 11.208 21.405 -13.894 562 HH12 ARG 85 HH12 ARG 85 11.833 22.934 -14.441 563 HH21 ARG 85 HH21 ARG 85 15.117 21.869 -14.510 564 HH22 ARG 85 HH22 ARG 85 14.034 23.210 -14.761 565 H PHE 86 H PHE 86 10.171 15.236 -10.484 566 HA PHE 86 HA PHE 86 10.592 15.204 -7.660 567 HB2 PHE 86 HB2 PHE 86 8.403 15.485 -8.874 568 HB3 PHE 86 HB3 PHE 86 8.407 13.755 -9.195 569 HD1 PHE 86 HD1 PHE 86 8.426 16.343 -6.491 570 HD2 PHE 86 HD2 PHE 86 7.634 12.219 -7.472 571 HE1 PHE 86 HE1 PHE 86 7.378 16.010 -4.258 572 HE2 PHE 86 HE2 PHE 86 6.576 11.900 -5.252 573 HZ PHE 86 HZ PHE 86 6.434 13.794 -3.649 574 H LEU 87 H LEU 87 10.540 12.440 -10.000 575 HA LEU 87 HA LEU 87 10.933 10.409 -8.070 576 HB2 LEU 87 HB2 LEU 87 11.710 10.595 -11.005 577 HB3 LEU 87 HB3 LEU 87 12.001 9.153 -10.047 578 HG LEU 87 HG LEU 87 9.252 10.327 -10.635 579 HD11 LEU 87 HD11 LEU 87 10.334 9.282 -12.562 580 HD12 LEU 87 HD12 LEU 87 9.053 8.217 -11.971 581 HD13 LEU 87 HD13 LEU 87 10.749 7.846 -11.593 582 HD21 LEU 87 HD21 LEU 87 10.075 7.832 -9.096 583 HD22 LEU 87 HD22 LEU 87 8.426 8.168 -9.677 584 HD23 LEU 87 HD23 LEU 87 9.151 9.225 -8.467 585 H GLN 88 H GLN 88 13.583 12.089 -9.938 586 HA GLN 88 HA GLN 88 15.526 10.551 -8.369 587 HB2 GLN 88 HB2 GLN 88 15.925 12.755 -10.398 588 HB3 GLN 88 HB3 GLN 88 17.232 11.985 -9.500 589 HG2 GLN 88 HG2 GLN 88 15.923 9.753 -10.441 590 HG3 GLN 88 HG3 GLN 88 15.601 10.892 -11.747 591 HE21 GLN 88 HE21 GLN 88 18.203 9.281 -9.839 592 HE22 GLN 88 HE22 GLN 88 19.474 9.633 -11.015 593 H CYS 89 H CYS 89 13.910 13.578 -7.757 594 HA CYS 89 HA CYS 89 15.846 14.364 -5.701 595 HB2 CYS 89 2HB CYS 89 14.400 15.906 -7.063 596 HB3 CYS 89 3HB CYS 89 13.010 15.336 -6.143 597 H ALA 90 H ALA 90 12.667 12.627 -5.729 598 HA ALA 90 HA ALA 90 12.494 12.089 -2.943 599 HB1 ALA 90 HB1 ALA 90 10.667 11.703 -4.526 600 HB2 ALA 90 HB2 ALA 90 11.618 10.462 -5.372 601 HB3 ALA 90 HB3 ALA 90 11.087 10.183 -3.706 602 H GLU 91 H GLU 91 14.368 10.520 -5.477 603 HA GLU 91 HA GLU 91 15.527 8.390 -3.889 604 HB2 GLU 91 HB2 GLU 91 15.116 8.483 -6.385 605 HB3 GLU 91 HB3 GLU 91 16.377 9.692 -6.493 606 HG2 GLU 91 HG2 GLU 91 18.011 7.934 -5.641 607 HG3 GLU 91 HG3 GLU 91 16.679 6.769 -5.725 608 H GLN 92 H GLN 92 16.113 11.749 -3.847 609 HA GLN 92 HA GLN 92 18.945 11.476 -2.961 610 HB2 GLN 92 HB2 GLN 92 18.370 12.998 -4.824 611 HB3 GLN 92 HB3 GLN 92 17.374 13.959 -3.725 612 HG2 GLN 92 HG2 GLN 92 19.331 14.525 -2.370 613 HG3 GLN 92 HG3 GLN 92 20.360 13.471 -3.349 614 HE21 GLN 92 HE21 GLN 92 20.459 16.474 -2.846 615 HE22 GLN 92 HE22 GLN 92 20.455 17.142 -4.478 616 H VAL 93 H VAL 93 15.730 12.172 -1.659 617 HA VAL 93 HA VAL 93 16.887 13.103 0.901 618 HB VAL 93 HB VAL 93 14.512 13.105 1.704 619 HG11 VAL 93 HG11 VAL 93 15.747 15.123 1.038 620 HG12 VAL 93 HG12 VAL 93 15.257 14.883 -0.655 621 HG13 VAL 93 HG13 VAL 93 14.042 15.246 0.585 622 HG21 VAL 93 HG21 VAL 93 13.489 11.659 -0.094 623 HG22 VAL 93 HG22 VAL 93 12.705 13.233 0.102 624 HG23 VAL 93 HG23 VAL 93 13.808 12.961 -1.256 Start of MODEL 7 1 H TYR 11 H TYR 11 1.092 13.501 2.014 2 HA TYR 11 HA TYR 11 2.247 10.874 1.257 3 HB2 TYR 11 HB2 TYR 11 -0.626 11.654 1.775 4 HB3 TYR 11 HB3 TYR 11 -0.001 10.030 1.499 5 HD1 TYR 11 HD1 TYR 11 1.422 8.883 3.182 6 HD2 TYR 11 HD2 TYR 11 -0.584 12.622 4.002 7 HE1 TYR 11 HE1 TYR 11 1.493 8.390 5.609 8 HE2 TYR 11 HE2 TYR 11 -0.510 12.102 6.441 9 HH TYR 11 HH TYR 11 -0.081 10.511 8.036 10 H CYS 12 H CYS 12 1.126 9.675 -0.560 11 HA CYS 12 HA CYS 12 0.894 11.469 -2.934 12 HB2 CYS 12 2HB CYS 12 1.653 8.537 -2.860 13 HB3 CYS 12 3HB CYS 12 1.720 9.642 -4.238 14 H GLY 13 H GLY 13 -0.720 10.956 -4.599 15 HA2 GLY 13 HA2 GLY 13 -3.290 10.023 -3.742 16 HA3 GLY 13 HA3 GLY 13 -2.742 10.158 -5.422 17 H ARG 14 H ARG 14 -0.773 8.259 -5.604 18 HA ARG 14 HA ARG 14 -1.936 5.696 -5.720 19 HB2 ARG 14 HB2 ARG 14 0.286 4.824 -5.921 20 HB3 ARG 14 HB3 ARG 14 0.227 6.357 -6.785 21 HG2 ARG 14 HG2 ARG 14 1.463 7.474 -4.992 22 HG3 ARG 14 HG3 ARG 14 1.336 6.062 -3.949 23 HD2 ARG 14 HD2 ARG 14 3.476 6.011 -4.660 24 HD3 ARG 14 HD3 ARG 14 2.672 4.750 -5.584 25 HE ARG 14 HE ARG 14 3.624 7.407 -6.634 26 HH11 ARG 14 HH11 ARG 14 2.195 4.275 -7.576 27 HH12 ARG 14 HH12 ARG 14 2.307 4.714 -9.260 28 HH21 ARG 14 HH21 ARG 14 3.814 7.756 -8.663 29 HH22 ARG 14 HH22 ARG 14 3.159 6.665 -9.874 30 H GLU 15 H GLU 15 -0.754 7.298 -2.871 31 HA GLU 15 HA GLU 15 -0.192 4.860 -1.406 32 HB2 GLU 15 HB2 GLU 15 0.973 7.107 -1.181 33 HB3 GLU 15 HB3 GLU 15 -0.419 7.701 -0.300 34 HG2 GLU 15 HG2 GLU 15 0.871 5.153 0.636 35 HG3 GLU 15 HG3 GLU 15 1.798 6.627 0.784 36 H LEU 16 H LEU 16 -2.996 6.853 -1.963 37 HA LEU 16 HA LEU 16 -4.597 5.568 0.156 38 HB2 LEU 16 HB2 LEU 16 -5.531 7.163 -2.275 39 HB3 LEU 16 HB3 LEU 16 -6.473 6.768 -0.845 40 HG LEU 16 HG LEU 16 -4.107 8.681 -0.986 41 HD11 LEU 16 HD11 LEU 16 -7.072 9.189 -0.525 42 HD12 LEU 16 HD12 LEU 16 -6.182 9.519 -2.027 43 HD13 LEU 16 HD13 LEU 16 -5.781 10.412 -0.551 44 HD21 LEU 16 HD21 LEU 16 -4.160 7.644 1.237 45 HD22 LEU 16 HD22 LEU 16 -5.906 7.959 1.365 46 HD23 LEU 16 HD23 LEU 16 -4.749 9.305 1.344 47 H GLU 17 H GLU 17 -4.300 5.423 -3.396 48 HA GLU 17 HA GLU 17 -6.310 3.540 -3.828 49 HB2 GLU 17 HB2 GLU 17 -5.168 4.926 -5.581 50 HB3 GLU 17 HB3 GLU 17 -3.777 3.839 -5.494 51 HG2 GLU 17 HG2 GLU 17 -5.316 1.916 -6.097 52 HG3 GLU 17 HG3 GLU 17 -6.638 3.079 -6.235 53 H GLN 18 H GLN 18 -2.795 2.813 -3.494 54 HA GLN 18 HA GLN 18 -3.265 -0.058 -3.762 55 HB2 GLN 18 HB2 GLN 18 -0.873 1.684 -3.158 56 HB3 GLN 18 HB3 GLN 18 -0.798 -0.039 -2.811 57 HG2 GLN 18 HG2 GLN 18 0.138 0.425 -5.015 58 HG3 GLN 18 HG3 GLN 18 -1.266 -0.630 -5.115 59 HE21 GLN 18 HE21 GLN 18 -2.922 -0.023 -6.563 60 HE22 GLN 18 HE22 GLN 18 -3.033 1.597 -7.256 61 H TYR 19 H TYR 19 -2.989 2.158 -0.957 62 HA TYR 19 HA TYR 19 -2.834 0.090 1.038 63 HB2 TYR 19 HB2 TYR 19 -2.278 2.474 1.371 64 HB3 TYR 19 HB3 TYR 19 -3.976 2.909 1.186 65 HD1 TYR 19 HD2 TYR 19 -1.441 1.292 3.340 66 HD2 TYR 19 HD1 TYR 19 -5.561 2.551 3.030 67 HE1 TYR 19 HE2 TYR 19 -1.723 0.981 5.789 68 HE2 TYR 19 HE1 TYR 19 -5.834 2.236 5.487 69 HH TYR 19 HH TYR 19 -3.098 1.141 7.535 70 H GLY 20 H GLY 20 -5.636 1.821 -0.425 71 HA2 GLY 20 HA2 GLY 20 -7.679 0.575 1.079 72 HA3 GLY 20 HA3 GLY 20 -7.866 1.277 -0.537 73 H GLN 21 H GLN 21 -6.196 -0.520 -2.019 74 HA GLN 21 HA GLN 21 -7.915 -2.845 -2.339 75 HB2 GLN 21 HB2 GLN 21 -5.189 -2.024 -3.433 76 HB3 GLN 21 HB3 GLN 21 -5.883 -3.610 -3.784 77 HG2 GLN 21 HG2 GLN 21 -7.967 -2.426 -4.657 78 HG3 GLN 21 HG3 GLN 21 -7.218 -0.874 -4.289 79 HE21 GLN 21 HE21 GLN 21 -7.627 -0.349 -6.562 80 HE22 GLN 21 HE22 GLN 21 -6.634 -1.057 -7.825 81 H CYS 22 H CYS 22 -4.628 -2.478 -0.971 82 HA CYS 22 HA CYS 22 -4.375 -5.267 -0.461 83 HB2 CYS 22 2HB CYS 22 -2.847 -2.813 0.454 84 HB3 CYS 22 3HB CYS 22 -2.307 -4.464 0.726 85 H VAL 23 H VAL 23 -5.512 -2.620 1.675 86 HA VAL 23 HA VAL 23 -5.830 -4.339 4.013 87 HB VAL 23 HB VAL 23 -6.798 -1.546 3.277 88 HG11 VAL 23 HG11 VAL 23 -7.282 -1.229 5.715 89 HG12 VAL 23 HG12 VAL 23 -8.422 -2.270 4.878 90 HG13 VAL 23 HG13 VAL 23 -7.161 -2.990 5.926 91 HG21 VAL 23 HG21 VAL 23 -4.754 -2.475 5.338 92 HG22 VAL 23 HG22 VAL 23 -4.332 -1.868 3.715 93 HG23 VAL 23 HG23 VAL 23 -5.120 -0.804 4.877 94 H ALA 24 H ALA 24 -7.982 -3.504 1.284 95 HA ALA 24 HA ALA 24 -10.364 -4.618 2.495 96 HB1 ALA 24 HB1 ALA 24 -11.211 -4.628 0.158 97 HB2 ALA 24 HB2 ALA 24 -10.507 -3.071 0.616 98 HB3 ALA 24 HB3 ALA 24 -9.593 -4.187 -0.426 99 H ALA 25 H ALA 25 -7.729 -6.010 0.523 100 HA ALA 25 HA ALA 25 -8.859 -8.574 0.111 101 HB1 ALA 25 HB1 ALA 25 -6.548 -9.191 -0.435 102 HB2 ALA 25 HB2 ALA 25 -6.953 -7.601 -1.110 103 HB3 ALA 25 HB3 ALA 25 -5.944 -7.711 0.341 104 H LYS 26 H LYS 26 -6.478 -7.617 2.607 105 HA LYS 26 HA LYS 26 -8.014 -8.804 4.741 106 HB2 LYS 26 HB2 LYS 26 -5.239 -9.931 4.152 107 HB3 LYS 26 HB3 LYS 26 -5.950 -9.938 5.746 108 HG2 LYS 26 HG2 LYS 26 -7.895 -11.226 4.864 109 HG3 LYS 26 HG3 LYS 26 -7.007 -11.428 3.337 110 HD2 LYS 26 HD2 LYS 26 -5.201 -12.586 4.457 111 HD3 LYS 26 HD3 LYS 26 -5.893 -12.273 6.051 112 HE2 LYS 26 HE2 LYS 26 -7.260 -13.944 3.893 113 HE3 LYS 26 HE3 LYS 26 -6.237 -14.606 5.174 114 HZ1 LYS 26 HZ1 LYS 26 -7.768 -13.573 6.794 115 HZ2 LYS 26 HZ2 LYS 26 -8.482 -14.757 5.911 116 HZ3 LYS 26 HZ3 LYS 26 -8.798 -13.166 5.603 117 HA PRO 27 HA PRO 27 -6.152 -5.285 6.892 118 HB2 PRO 27 HB2 PRO 27 -5.793 -7.307 9.125 119 HB3 PRO 27 HB3 PRO 27 -6.307 -5.594 9.238 120 HG2 PRO 27 HG2 PRO 27 -8.176 -7.528 9.290 121 HG3 PRO 27 HG3 PRO 27 -8.432 -6.096 8.239 122 HD2 PRO 27 HD2 PRO 27 -7.480 -8.856 7.446 123 HD3 PRO 27 HD3 PRO 27 -8.644 -7.780 6.629 124 H GLU 28 H GLU 28 -4.319 -8.394 7.345 125 HA GLU 28 HA GLU 28 -1.701 -7.023 7.406 126 HB2 GLU 28 HB2 GLU 28 -2.484 -9.952 7.157 127 HB3 GLU 28 HB3 GLU 28 -0.855 -9.364 7.468 128 HG2 GLU 28 HG2 GLU 28 -3.229 -8.840 9.312 129 HG3 GLU 28 HG3 GLU 28 -2.133 -10.208 9.481 130 H SER 29 H SER 29 -3.707 -8.164 4.858 131 HA SER 29 HA SER 29 -1.600 -8.562 2.907 132 HB2 SER 29 HB2 SER 29 -4.546 -8.337 2.852 133 HB3 SER 29 HB3 SER 29 -3.664 -8.076 1.343 134 HG SER 29 HG SER 29 -3.852 -10.225 1.340 135 H TRP 30 H TRP 30 -2.877 -5.710 4.353 136 HA TRP 30 HA TRP 30 -2.078 -3.568 2.771 137 HB2 TRP 30 HB2 TRP 30 -2.709 -3.283 5.064 138 HB3 TRP 30 HB3 TRP 30 -1.448 -4.355 5.623 139 HD1 TRP 30 HD1 TRP 30 -0.511 -1.489 3.242 140 HE1 TRP 30 HE1 TRP 30 1.008 0.171 4.515 141 HE3 TRP 30 HE3 TRP 30 -0.973 -3.414 7.972 142 HZ2 TRP 30 HZ2 TRP 30 1.946 0.543 7.195 143 HZ3 TRP 30 HZ3 TRP 30 0.263 -2.384 9.866 144 HH2 TRP 30 HH2 TRP 30 1.732 -0.416 9.485 145 H GLN 31 H GLN 31 0.192 -5.726 4.561 146 HA GLN 31 HA GLN 31 2.449 -4.661 2.958 147 HB2 GLN 31 HB2 GLN 31 2.483 -6.571 5.323 148 HB3 GLN 31 HB3 GLN 31 3.880 -5.841 4.513 149 HG2 GLN 31 HG2 GLN 31 2.771 -3.549 5.069 150 HG3 GLN 31 HG3 GLN 31 1.756 -4.456 6.195 151 HE21 GLN 31 HE21 GLN 31 2.941 -5.731 7.943 152 HE22 GLN 31 HE22 GLN 31 4.492 -5.058 8.466 153 H ARG 32 H ARG 32 0.536 -7.602 3.242 154 HA ARG 32 HA ARG 32 2.467 -9.115 1.618 155 HB2 ARG 32 HB2 ARG 32 -0.067 -9.927 3.027 156 HB3 ARG 32 HB3 ARG 32 0.821 -11.009 1.954 157 HG2 ARG 32 HG2 ARG 32 2.824 -10.841 3.337 158 HG3 ARG 32 HG3 ARG 32 2.075 -9.605 4.355 159 HD2 ARG 32 HD2 ARG 32 2.067 -11.808 5.458 160 HD3 ARG 32 HD3 ARG 32 0.443 -11.176 5.207 161 HE ARG 32 HE ARG 32 0.028 -12.752 3.487 162 HH11 ARG 32 HH11 ARG 32 3.127 -13.533 5.110 163 HH12 ARG 32 HH12 ARG 32 3.122 -15.108 4.354 164 HH21 ARG 32 HH21 ARG 32 0.228 -14.802 2.629 165 HH22 ARG 32 HH22 ARG 32 1.614 -15.783 3.096 166 H ASP 33 H ASP 33 -0.703 -7.701 0.668 167 HA ASP 33 HA ASP 33 -0.762 -9.347 -1.761 168 HB2 ASP 33 HB2 ASP 33 -2.813 -8.325 -0.560 169 HB3 ASP 33 HB3 ASP 33 -2.459 -6.823 -1.434 170 H CYS 34 H CYS 34 0.158 -6.005 -0.969 171 HA CYS 34 HA CYS 34 1.505 -5.775 -3.630 172 HB2 CYS 34 2HB CYS 34 1.325 -3.300 -3.139 173 HB3 CYS 34 3HB CYS 34 -0.149 -4.130 -3.597 174 H HIS 35 H HIS 35 3.387 -6.842 -2.974 175 HA HIS 35 HA HIS 35 4.544 -6.225 -0.392 176 HB2 HIS 35 2HB HIS 35 6.127 -7.975 -0.899 177 HB3 HIS 35 3HB HIS 35 4.489 -8.494 -1.263 178 HD1 HIS 35 1HD HIS 35 7.835 -7.808 -2.961 179 HD2 HIS 35 2HD HIS 35 3.885 -8.922 -3.916 180 HE1 HIS 35 1HE HIS 35 7.896 -8.757 -5.327 181 H TYR 36 H TYR 36 5.796 -5.675 -3.739 182 HA TYR 36 HA TYR 36 7.868 -3.901 -2.579 183 HB2 TYR 36 HB2 TYR 36 8.972 -3.887 -4.519 184 HB3 TYR 36 HB3 TYR 36 8.317 -5.506 -4.514 185 HD1 TYR 36 HD1 TYR 36 8.297 -2.202 -6.091 186 HD2 TYR 36 HD2 TYR 36 6.675 -6.195 -6.235 187 HE1 TYR 36 HE1 TYR 36 7.631 -1.847 -8.466 188 HE2 TYR 36 HE2 TYR 36 6.000 -5.831 -8.607 189 HH TYR 36 HH TYR 36 6.021 -4.393 -10.397 190 H LEU 37 H LEU 37 4.727 -3.677 -4.104 191 HA LEU 37 HA LEU 37 4.810 -0.840 -4.551 192 HB2 LEU 37 HB2 LEU 37 2.776 -3.008 -4.598 193 HB3 LEU 37 HB3 LEU 37 2.166 -1.363 -4.349 194 HG LEU 37 HG LEU 37 3.182 -0.608 -6.420 195 HD11 LEU 37 HD11 LEU 37 5.209 -1.979 -6.540 196 HD12 LEU 37 HD12 LEU 37 4.245 -2.216 -7.998 197 HD13 LEU 37 HD13 LEU 37 4.241 -3.455 -6.725 198 HD21 LEU 37 HD21 LEU 37 0.953 -1.669 -6.501 199 HD22 LEU 37 HD22 LEU 37 1.710 -3.254 -6.784 200 HD23 LEU 37 HD23 LEU 37 1.863 -1.970 -7.994 201 H LYS 38 H LYS 38 3.762 -2.668 -1.562 202 HA LYS 38 HA LYS 38 3.086 -0.306 -0.106 203 HB2 LYS 38 HB2 LYS 38 2.559 -2.564 0.648 204 HB3 LYS 38 HB3 LYS 38 4.259 -2.903 0.973 205 HG2 LYS 38 HG2 LYS 38 2.948 -0.493 2.273 206 HG3 LYS 38 HG3 LYS 38 2.503 -2.096 2.843 207 HD2 LYS 38 HD2 LYS 38 4.800 -2.626 3.442 208 HD3 LYS 38 HD3 LYS 38 5.370 -1.074 2.792 209 HE2 LYS 38 HE2 LYS 38 4.080 0.172 4.424 210 HE3 LYS 38 HE3 LYS 38 3.303 -1.294 5.023 211 HZ1 LYS 38 HZ1 LYS 38 6.237 -0.846 5.195 212 HZ2 LYS 38 HZ2 LYS 38 5.362 -2.029 5.959 213 HZ3 LYS 38 HZ3 LYS 38 5.197 -0.456 6.389 214 H MET 39 H MET 39 6.265 -1.841 -0.653 215 HA MET 39 HA MET 39 7.743 0.096 0.882 216 HB2 MET 39 HB2 MET 39 8.494 -2.230 0.048 217 HB3 MET 39 HB3 MET 39 8.853 -1.434 -1.491 218 HG2 MET 39 HG2 MET 39 10.280 0.213 -0.183 219 HG3 MET 39 HG3 MET 39 10.021 -0.784 1.245 220 HE1 MET 39 HE1 MET 39 10.255 -3.810 0.075 221 HE2 MET 39 HE2 MET 39 11.991 -4.070 0.343 222 HE3 MET 39 HE3 MET 39 11.026 -3.220 1.568 223 H SER 40 H SER 40 6.607 0.128 -2.501 224 HA SER 40 HA SER 40 8.057 2.484 -3.285 225 HB2 SER 40 HB2 SER 40 7.119 0.826 -4.877 226 HB3 SER 40 HB3 SER 40 5.490 1.429 -4.495 227 HG SER 40 HG SER 40 6.392 2.464 -6.317 228 H ILE 41 H ILE 41 4.604 2.088 -2.192 229 HA ILE 41 HA ILE 41 4.111 4.923 -2.300 230 HB ILE 41 HB ILE 41 2.085 4.561 -1.164 231 HG12 ILE 41 HG12 ILE 41 3.069 1.780 -0.497 232 HG13 ILE 41 HG13 ILE 41 2.693 3.067 0.643 233 HG21 ILE 41 HG21 ILE 41 2.425 2.186 -3.018 234 HG22 ILE 41 HG22 ILE 41 0.982 3.178 -2.754 235 HG23 ILE 41 HG23 ILE 41 2.385 3.859 -3.575 236 HD11 ILE 41 HD11 ILE 41 0.914 1.458 0.704 237 HD12 ILE 41 HD12 ILE 41 0.282 2.929 -0.058 238 HD13 ILE 41 HD13 ILE 41 0.703 1.511 -1.051 239 H ALA 42 H ALA 42 5.324 2.839 0.345 240 HA ALA 42 HA ALA 42 5.393 4.820 2.367 241 HB1 ALA 42 HB1 ALA 42 7.214 2.424 1.866 242 HB2 ALA 42 HB2 ALA 42 7.098 3.337 3.382 243 HB3 ALA 42 HB3 ALA 42 5.694 2.433 2.794 244 H GLN 43 H GLN 43 7.992 3.976 -0.059 245 HA GLN 43 HA GLN 43 9.590 6.201 0.869 246 HB2 GLN 43 HB2 GLN 43 11.178 5.722 -0.772 247 HB3 GLN 43 HB3 GLN 43 10.616 4.221 -0.046 248 HG2 GLN 43 HG2 GLN 43 9.121 3.953 -2.106 249 HG3 GLN 43 HG3 GLN 43 10.007 5.283 -2.831 250 HE21 GLN 43 HE21 GLN 43 10.244 1.955 -1.653 251 HE22 GLN 43 HE22 GLN 43 11.796 1.601 -2.443 252 H CYS 44 H CYS 44 7.053 5.986 -1.588 253 HA CYS 44 HA CYS 44 7.422 8.481 -2.861 254 HB2 CYS 44 2HB CYS 44 5.794 6.678 -3.454 255 HB3 CYS 44 3HB CYS 44 4.773 7.194 -2.113 256 H THR 45 H THR 45 5.826 7.814 0.283 257 HA THR 45 HA THR 45 5.460 10.708 0.699 258 HB THR 45 HB THR 45 3.687 9.226 1.372 259 HG1 THR 45 HG1 THR 45 4.217 11.226 2.440 260 HG21 THR 45 HG21 THR 45 4.850 7.247 2.200 261 HG22 THR 45 HG22 THR 45 3.780 7.927 3.427 262 HG23 THR 45 HG23 THR 45 5.541 8.189 3.547 263 H SER 46 H SER 46 7.907 8.361 1.544 264 HA SER 46 HA SER 46 9.173 9.992 3.580 265 HB2 SER 46 HB2 SER 46 9.551 7.525 3.255 266 HB3 SER 46 HB3 SER 46 10.486 7.921 1.796 267 HG SER 46 HG SER 46 11.086 8.247 4.477 268 H SER 47 H SER 47 9.991 9.498 0.092 269 HA SER 47 HA SER 47 10.714 12.346 -0.059 270 HB2 SER 47 HB2 SER 47 12.709 11.897 -1.452 271 HB3 SER 47 HB3 SER 47 12.873 11.463 0.245 272 HG SER 47 HG SER 47 13.738 9.904 -1.055 273 H HIS 48 H HIS 48 10.707 9.480 -2.105 274 HA HIS 48 HA HIS 48 8.962 10.569 -4.209 275 HB2 HIS 48 2HB HIS 48 11.922 9.914 -4.603 276 HB3 HIS 48 3HB HIS 48 10.790 10.246 -5.903 277 HD1 HIS 48 1HD HIS 48 9.684 12.854 -5.773 278 HD2 HIS 48 2HD HIS 48 13.291 12.004 -3.792 279 HE1 HIS 48 1HE HIS 48 10.806 15.106 -5.326 280 HA PRO 49 HA PRO 49 8.077 6.201 -4.466 281 HB2 PRO 49 HB2 PRO 49 7.369 5.786 -7.093 282 HB3 PRO 49 HB3 PRO 49 6.381 6.727 -5.938 283 HG2 PRO 49 HG2 PRO 49 8.418 7.788 -7.930 284 HG3 PRO 49 HG3 PRO 49 6.718 8.316 -7.709 285 HD2 PRO 49 HD2 PRO 49 8.726 9.667 -6.538 286 HD3 PRO 49 HD3 PRO 49 7.223 9.355 -5.624 287 H ILE 50 H ILE 50 8.554 4.091 -5.755 288 HA ILE 50 HA ILE 50 11.255 3.531 -5.423 289 HB ILE 50 HB ILE 50 9.304 1.953 -5.419 290 HG12 ILE 50 HG12 ILE 50 11.806 1.049 -6.883 291 HG13 ILE 50 HG13 ILE 50 11.577 1.201 -5.134 292 HG21 ILE 50 HG21 ILE 50 8.533 0.885 -7.409 293 HG22 ILE 50 HG22 ILE 50 8.500 2.616 -7.759 294 HG23 ILE 50 HG23 ILE 50 9.817 1.609 -8.397 295 HD11 ILE 50 HD11 ILE 50 9.804 -0.529 -5.206 296 HD12 ILE 50 HD12 ILE 50 10.148 -0.770 -6.942 297 HD13 ILE 50 HD13 ILE 50 11.393 -1.117 -5.734 298 H ILE 51 H ILE 51 13.056 3.256 -6.647 299 HA ILE 51 HA ILE 51 13.357 5.341 -8.512 300 HB ILE 51 HB ILE 51 15.203 3.146 -7.564 301 HG12 ILE 51 HG12 ILE 51 14.468 4.791 -5.863 302 HG13 ILE 51 HG13 ILE 51 16.192 4.823 -6.161 303 HG21 ILE 51 HG21 ILE 51 15.977 5.502 -9.326 304 HG22 ILE 51 HG22 ILE 51 17.118 4.509 -8.399 305 HG23 ILE 51 HG23 ILE 51 16.159 3.770 -9.676 306 HD11 ILE 51 HD11 ILE 51 14.192 6.872 -7.202 307 HD12 ILE 51 HD12 ILE 51 15.307 7.068 -5.843 308 HD13 ILE 51 HD13 ILE 51 15.950 6.908 -7.480 309 H ARG 52 H ARG 52 13.298 5.589 -10.561 310 HA ARG 52 HA ARG 52 12.563 3.483 -12.442 311 HB2 ARG 52 HB2 ARG 52 11.645 5.701 -12.559 312 HB3 ARG 52 HB3 ARG 52 13.244 6.431 -12.620 313 HG2 ARG 52 HG2 ARG 52 13.617 5.674 -14.882 314 HG3 ARG 52 HG3 ARG 52 12.097 4.738 -14.870 315 HD2 ARG 52 HD2 ARG 52 10.777 6.727 -14.595 316 HD3 ARG 52 HD3 ARG 52 12.179 7.728 -14.263 317 HE ARG 52 HE ARG 52 11.274 6.722 -16.906 318 HH11 ARG 52 HH11 ARG 52 13.791 8.564 -15.248 319 HH12 ARG 52 HH12 ARG 52 14.191 9.440 -16.702 320 HH21 ARG 52 HH21 ARG 52 11.501 8.274 -18.491 321 HH22 ARG 52 HH22 ARG 52 12.843 9.387 -18.420 322 H GLN 53 H GLN 53 15.584 5.210 -11.713 323 HA GLN 53 HA GLN 53 17.015 4.314 -14.007 324 HB2 GLN 53 HB2 GLN 53 18.045 5.137 -11.264 325 HB3 GLN 53 HB3 GLN 53 19.058 4.906 -12.690 326 HG2 GLN 53 HG2 GLN 53 16.843 6.979 -12.380 327 HG3 GLN 53 HG3 GLN 53 18.575 7.284 -12.386 328 HE21 GLN 53 HE21 GLN 53 15.964 7.703 -14.328 329 HE22 GLN 53 HE22 GLN 53 16.733 7.421 -15.895 330 H ILE 54 H ILE 54 16.391 2.473 -11.017 331 HA ILE 54 HA ILE 54 18.323 0.406 -11.816 332 HB ILE 54 HB ILE 54 17.416 -0.950 -10.020 333 HG12 ILE 54 HG12 ILE 54 15.668 1.417 -9.267 334 HG13 ILE 54 HG13 ILE 54 15.051 -0.024 -10.083 335 HG21 ILE 54 HG21 ILE 54 18.123 1.883 -9.132 336 HG22 ILE 54 HG22 ILE 54 18.380 0.382 -8.221 337 HG23 ILE 54 HG23 ILE 54 19.284 0.671 -9.705 338 HD11 ILE 54 HD11 ILE 54 14.594 -0.190 -7.720 339 HD12 ILE 54 HD12 ILE 54 15.806 -1.413 -8.152 340 HD13 ILE 54 HD13 ILE 54 16.292 0.079 -7.307 341 H ARG 55 H ARG 55 14.982 1.101 -12.593 342 HA ARG 55 HA ARG 55 14.452 -1.574 -13.678 343 HB2 ARG 55 HB2 ARG 55 12.970 1.077 -14.033 344 HB3 ARG 55 HB3 ARG 55 12.470 -0.463 -14.726 345 HG2 ARG 55 HG2 ARG 55 12.367 -1.431 -12.403 346 HG3 ARG 55 HG3 ARG 55 12.632 0.197 -11.759 347 HD2 ARG 55 HD2 ARG 55 10.347 -0.581 -13.648 348 HD3 ARG 55 HD3 ARG 55 10.222 -0.545 -11.892 349 HE ARG 55 HE ARG 55 10.306 1.796 -11.847 350 HH11 ARG 55 HH11 ARG 55 10.313 0.793 -15.258 351 HH12 ARG 55 HH12 ARG 55 9.845 2.396 -15.751 352 HH21 ARG 55 HH21 ARG 55 9.665 3.627 -12.535 353 HH22 ARG 55 HH22 ARG 55 9.394 3.957 -14.239 354 H GLN 56 H GLN 56 15.515 1.533 -15.001 355 HA GLN 56 HA GLN 56 15.489 0.876 -17.736 356 HB2 GLN 56 HB2 GLN 56 17.238 2.765 -16.133 357 HB3 GLN 56 HB3 GLN 56 17.304 2.680 -17.889 358 HG2 GLN 56 HG2 GLN 56 14.724 3.272 -16.381 359 HG3 GLN 56 HG3 GLN 56 15.844 4.511 -16.932 360 HE21 GLN 56 HE21 GLN 56 13.317 2.251 -17.993 361 HE22 GLN 56 HE22 GLN 56 13.242 2.958 -19.611 362 H ALA 57 H ALA 57 17.632 -0.511 -15.399 363 HA ALA 57 HA ALA 57 19.444 -1.540 -17.521 364 HB1 ALA 57 HB1 ALA 57 20.683 -2.507 -15.625 365 HB2 ALA 57 HB2 ALA 57 20.470 -0.755 -15.457 366 HB3 ALA 57 HB3 ALA 57 19.470 -1.864 -14.493 367 H CYS 58 H CYS 58 17.120 -2.865 -15.075 368 HA CYS 58 HA CYS 58 16.107 -4.785 -16.932 369 HB2 CYS 58 2HB CYS 58 16.719 -6.836 -15.796 370 HB3 CYS 58 3HB CYS 58 18.140 -6.027 -16.402 371 H ALA 59 H ALA 59 14.036 -5.602 -16.222 372 HA ALA 59 HA ALA 59 13.177 -5.073 -13.445 373 HB1 ALA 59 HB1 ALA 59 12.997 -2.855 -14.589 374 HB2 ALA 59 HB2 ALA 59 11.816 -3.545 -15.703 375 HB3 ALA 59 HB3 ALA 59 11.455 -3.470 -13.972 376 H GLN 60 H GLN 60 11.707 -5.819 -16.693 377 HA GLN 60 HA GLN 60 9.322 -6.723 -15.501 378 HB2 GLN 60 HB2 GLN 60 10.485 -7.074 -18.275 379 HB3 GLN 60 HB3 GLN 60 8.915 -7.760 -17.840 380 HG2 GLN 60 HG2 GLN 60 8.016 -5.582 -17.299 381 HG3 GLN 60 HG3 GLN 60 9.606 -4.827 -17.388 382 HE21 GLN 60 HE21 GLN 60 7.284 -6.642 -19.512 383 HE22 GLN 60 HE22 GLN 60 7.724 -5.724 -20.960 384 HA PRO 61 HA PRO 61 10.648 -11.259 -15.300 385 HB2 PRO 61 HB2 PRO 61 13.619 -11.147 -15.573 386 HB3 PRO 61 HB3 PRO 61 12.478 -12.382 -16.188 387 HG2 PRO 61 HG2 PRO 61 13.647 -10.590 -17.849 388 HG3 PRO 61 HG3 PRO 61 11.903 -10.974 -18.047 389 HD2 PRO 61 HD2 PRO 61 13.138 -8.647 -16.528 390 HD3 PRO 61 HD3 PRO 61 11.873 -8.615 -17.791 391 H PHE 62 H PHE 62 12.260 -8.536 -13.878 392 HA PHE 62 HA PHE 62 13.175 -9.887 -11.453 393 HB2 PHE 62 HB2 PHE 62 13.785 -7.461 -12.640 394 HB3 PHE 62 HB3 PHE 62 12.766 -6.973 -11.297 395 HD1 PHE 62 HD1 PHE 62 13.489 -8.808 -9.104 396 HD2 PHE 62 HD2 PHE 62 15.991 -7.000 -12.116 397 HE1 PHE 62 HE1 PHE 62 15.474 -9.141 -7.657 398 HE2 PHE 62 HE2 PHE 62 17.968 -7.300 -10.650 399 HZ PHE 62 HZ PHE 62 17.724 -8.412 -8.434 400 H GLU 63 H GLU 63 10.364 -7.838 -12.322 401 HA GLU 63 HA GLU 63 8.938 -8.045 -9.887 402 HB2 GLU 63 HB2 GLU 63 7.881 -8.147 -12.761 403 HB3 GLU 63 HB3 GLU 63 6.893 -7.984 -11.315 404 HG2 GLU 63 HG2 GLU 63 8.142 -5.845 -10.791 405 HG3 GLU 63 HG3 GLU 63 8.843 -5.950 -12.414 406 H ALA 64 H ALA 64 9.086 -10.417 -12.563 407 HA ALA 64 HA ALA 64 7.227 -12.250 -11.324 408 HB1 ALA 64 HB1 ALA 64 9.191 -12.628 -13.636 409 HB2 ALA 64 HB2 ALA 64 7.799 -13.663 -13.265 410 HB3 ALA 64 HB3 ALA 64 7.536 -11.990 -13.778 411 H PHE 65 H PHE 65 10.646 -11.870 -10.783 412 HA PHE 65 HA PHE 65 10.784 -14.598 -9.534 413 HB2 PHE 65 HB2 PHE 65 12.687 -14.104 -10.903 414 HB3 PHE 65 HB3 PHE 65 12.903 -12.521 -10.150 415 HD1 PHE 65 HD1 PHE 65 12.605 -16.139 -9.066 416 HD2 PHE 65 HD2 PHE 65 14.529 -12.325 -8.462 417 HE1 PHE 65 HE1 PHE 65 13.955 -17.103 -7.216 418 HE2 PHE 65 HE2 PHE 65 15.867 -13.298 -6.617 419 HZ PHE 65 HZ PHE 65 15.595 -15.696 -6.005 420 H GLU 66 H GLU 66 11.057 -11.094 -8.684 421 HA GLU 66 HA GLU 66 11.478 -11.835 -5.925 422 HB2 GLU 66 HB2 GLU 66 12.031 -9.768 -5.529 423 HB3 GLU 66 HB3 GLU 66 12.315 -9.772 -7.247 424 HG2 GLU 66 HG2 GLU 66 10.824 -8.115 -7.611 425 HG3 GLU 66 HG3 GLU 66 9.585 -8.837 -6.603 426 H GLU 67 H GLU 67 8.588 -11.452 -7.796 427 HA GLU 67 HA GLU 67 6.752 -11.566 -5.551 428 HB2 GLU 67 HB2 GLU 67 6.011 -10.818 -7.682 429 HB3 GLU 67 HB3 GLU 67 6.482 -12.337 -8.476 430 HG2 GLU 67 HG2 GLU 67 4.767 -13.563 -7.304 431 HG3 GLU 67 HG3 GLU 67 4.403 -12.183 -6.261 432 H CYS 68 H CYS 68 8.686 -14.118 -7.218 433 HA CYS 68 HA CYS 68 7.298 -16.345 -6.021 434 HB2 CYS 68 2HB CYS 68 9.078 -16.635 -7.756 435 HB3 CYS 68 3HB CYS 68 10.289 -16.140 -6.566 436 H LEU 69 H LEU 69 10.198 -14.534 -4.846 437 HA LEU 69 HA LEU 69 10.291 -15.577 -2.296 438 HB2 LEU 69 HB2 LEU 69 11.060 -12.750 -3.054 439 HB3 LEU 69 HB3 LEU 69 11.751 -13.741 -1.775 440 HG LEU 69 HG LEU 69 12.053 -14.192 -4.774 441 HD11 LEU 69 HD11 LEU 69 13.338 -12.287 -3.870 442 HD12 LEU 69 HD12 LEU 69 14.392 -13.611 -4.395 443 HD13 LEU 69 HD13 LEU 69 14.077 -13.363 -2.666 444 HD21 LEU 69 HD21 LEU 69 12.094 -16.378 -3.520 445 HD22 LEU 69 HD22 LEU 69 13.436 -15.736 -2.541 446 HD23 LEU 69 HD23 LEU 69 13.626 -15.964 -4.283 447 H ARG 70 H ARG 70 8.006 -13.036 -3.385 448 HA ARG 70 HA ARG 70 7.342 -12.105 -0.777 449 HB2 ARG 70 HB2 ARG 70 5.719 -10.847 -1.687 450 HB3 ARG 70 HB3 ARG 70 6.678 -11.164 -3.111 451 HG2 ARG 70 HG2 ARG 70 4.711 -11.635 -4.077 452 HG3 ARG 70 HG3 ARG 70 4.831 -13.206 -3.298 453 HD2 ARG 70 HD2 ARG 70 3.437 -12.321 -1.402 454 HD3 ARG 70 HD3 ARG 70 3.321 -10.770 -2.249 455 HE ARG 70 HE ARG 70 2.441 -12.626 -4.121 456 HH11 ARG 70 HH11 ARG 70 1.153 -11.352 -1.123 457 HH12 ARG 70 HH12 ARG 70 -0.394 -12.131 -1.365 458 HH21 ARG 70 HH21 ARG 70 0.449 -13.203 -4.539 459 HH22 ARG 70 HH22 ARG 70 -0.861 -12.813 -3.423 460 H GLN 71 H GLN 71 6.478 -15.129 -2.200 461 HA GLN 71 HA GLN 71 5.034 -15.799 0.338 462 HB2 GLN 71 HB2 GLN 71 4.585 -16.968 -2.419 463 HB3 GLN 71 HB3 GLN 71 3.841 -17.573 -0.943 464 HG2 GLN 71 HG2 GLN 71 3.392 -14.776 -2.071 465 HG3 GLN 71 HG3 GLN 71 2.344 -16.157 -2.344 466 HE21 GLN 71 HE21 GLN 71 3.636 -14.075 0.358 467 HE22 GLN 71 HE22 GLN 71 2.219 -14.392 1.350 468 H ASN 72 H ASN 72 7.872 -16.387 -1.439 469 HA ASN 72 HA ASN 72 8.434 -18.904 0.039 470 HB2 ASN 72 HB2 ASN 72 9.027 -18.657 -2.921 471 HB3 ASN 72 HB3 ASN 72 9.037 -20.078 -1.927 472 HD21 ASN 72 HD21 ASN 72 6.952 -17.916 -3.703 473 HD22 ASN 72 HD22 ASN 72 5.535 -18.964 -3.647 474 H GLU 73 H GLU 73 9.618 -16.193 0.454 475 HA GLU 73 HA GLU 73 12.138 -15.982 -0.808 476 HB2 GLU 73 HB2 GLU 73 12.758 -14.430 0.917 477 HB3 GLU 73 HB3 GLU 73 11.057 -14.192 0.582 478 HG2 GLU 73 HG2 GLU 73 10.674 -15.807 2.627 479 HG3 GLU 73 HG3 GLU 73 12.355 -15.453 3.012 480 H ALA 74 H ALA 74 11.065 -18.074 1.746 481 HA ALA 74 HA ALA 74 13.642 -18.956 2.750 482 HB1 ALA 74 HB1 ALA 74 11.571 -18.799 4.100 483 HB2 ALA 74 HB2 ALA 74 10.783 -19.984 3.029 484 HB3 ALA 74 HB3 ALA 74 12.159 -20.474 4.046 485 H ALA 75 H ALA 75 11.773 -19.895 -0.058 486 HA ALA 75 HA ALA 75 12.844 -22.684 0.030 487 HB1 ALA 75 HB1 ALA 75 10.381 -22.438 0.269 488 HB2 ALA 75 HB2 ALA 75 10.338 -21.706 -1.352 489 HB3 ALA 75 HB3 ALA 75 10.879 -23.378 -1.152 490 H VAL 76 H VAL 76 14.686 -21.074 -0.822 491 HA VAL 76 HA VAL 76 14.599 -20.268 -3.568 492 HB VAL 76 HB VAL 76 16.940 -20.638 -1.653 493 HG11 VAL 76 HG11 VAL 76 17.871 -20.537 -3.913 494 HG12 VAL 76 HG12 VAL 76 16.860 -19.123 -4.292 495 HG13 VAL 76 HG13 VAL 76 18.160 -19.017 -3.074 496 HG21 VAL 76 HG21 VAL 76 16.765 -18.163 -1.404 497 HG22 VAL 76 HG22 VAL 76 15.330 -18.168 -2.454 498 HG23 VAL 76 HG23 VAL 76 15.290 -18.967 -0.873 499 H GLY 77 H GLY 77 15.215 -23.407 -2.187 500 HA2 GLY 77 HA2 GLY 77 16.541 -24.681 -4.396 501 HA3 GLY 77 HA3 GLY 77 15.418 -25.432 -3.254 502 H ASN 78 H ASN 78 13.203 -23.499 -4.015 503 HA ASN 78 HA ASN 78 12.372 -24.878 -6.511 504 HB2 ASN 78 HB2 ASN 78 10.817 -23.536 -4.281 505 HB3 ASN 78 HB3 ASN 78 10.077 -24.019 -5.803 506 HD21 ASN 78 HD21 ASN 78 9.296 -25.075 -3.248 507 HD22 ASN 78 HD22 ASN 78 9.696 -26.782 -3.280 508 H CYS 79 H CYS 79 13.180 -21.578 -5.456 509 HA CYS 79 HA CYS 79 13.244 -21.003 -8.325 510 HB2 CYS 79 2HB CYS 79 12.137 -18.827 -8.159 511 HB3 CYS 79 3HB CYS 79 11.066 -20.155 -7.759 512 H ALA 80 H ALA 80 14.966 -19.933 -8.985 513 HA ALA 80 HA ALA 80 16.655 -18.346 -7.137 514 HB1 ALA 80 HB1 ALA 80 17.266 -20.667 -6.688 515 HB2 ALA 80 HB2 ALA 80 17.582 -20.951 -8.416 516 HB3 ALA 80 HB3 ALA 80 18.594 -19.821 -7.484 517 H GLU 81 H GLU 81 15.209 -17.601 -9.446 518 HA GLU 81 HA GLU 81 16.747 -17.405 -11.820 519 HB2 GLU 81 HB2 GLU 81 14.598 -15.446 -11.004 520 HB3 GLU 81 HB3 GLU 81 15.147 -15.870 -12.620 521 HG2 GLU 81 HG2 GLU 81 14.204 -18.139 -12.363 522 HG3 GLU 81 HG3 GLU 81 13.636 -17.721 -10.737 523 H HIS 82 H HIS 82 17.132 -15.714 -8.845 524 HA HIS 82 HA HIS 82 18.109 -13.201 -9.481 525 HB2 HIS 82 2HB HIS 82 19.697 -13.503 -7.559 526 HB3 HIS 82 3HB HIS 82 18.006 -13.774 -7.221 527 HD1 HIS 82 1HD HIS 82 17.831 -15.630 -5.468 528 HD2 HIS 82 2HD HIS 82 21.058 -16.131 -8.099 529 HE1 HIS 82 1HE HIS 82 18.914 -17.834 -4.852 530 H MET 83 H MET 83 19.726 -16.274 -10.236 531 HA MET 83 HA MET 83 22.283 -15.009 -10.808 532 HB2 MET 83 HB2 MET 83 23.015 -17.076 -11.705 533 HB3 MET 83 HB3 MET 83 22.056 -17.402 -10.272 534 HG2 MET 83 HG2 MET 83 21.386 -19.051 -11.752 535 HG3 MET 83 HG3 MET 83 20.086 -17.874 -11.865 536 HE1 MET 83 HE1 MET 83 23.708 -18.365 -13.554 537 HE2 MET 83 HE2 MET 83 22.844 -19.920 -13.598 538 HE3 MET 83 HE3 MET 83 23.176 -19.046 -15.106 539 H ARG 84 H ARG 84 19.411 -15.609 -12.747 540 HA ARG 84 HA ARG 84 20.616 -14.508 -15.184 541 HB2 ARG 84 HB2 ARG 84 19.057 -16.437 -15.207 542 HB3 ARG 84 HB3 ARG 84 17.736 -15.369 -14.718 543 HG2 ARG 84 HG2 ARG 84 17.853 -14.119 -16.753 544 HG3 ARG 84 HG3 ARG 84 19.457 -14.736 -17.157 545 HD2 ARG 84 HD2 ARG 84 16.911 -16.400 -17.118 546 HD3 ARG 84 HD3 ARG 84 17.652 -15.718 -18.568 547 HE ARG 84 HE ARG 84 18.591 -18.016 -16.973 548 HH11 ARG 84 HH11 ARG 84 19.702 -15.676 -19.409 549 HH12 ARG 84 HH12 ARG 84 20.826 -16.833 -20.066 550 HH21 ARG 84 HH21 ARG 84 20.168 -19.321 -17.809 551 HH22 ARG 84 HH22 ARG 84 21.360 -18.592 -18.871 552 H ARG 85 H ARG 85 18.501 -13.359 -12.569 553 HA ARG 85 HA ARG 85 17.897 -10.762 -13.722 554 HB2 ARG 85 HB2 ARG 85 18.508 -11.372 -10.798 555 HB3 ARG 85 HB3 ARG 85 17.702 -9.954 -11.424 556 HG2 ARG 85 HG2 ARG 85 16.552 -12.773 -11.465 557 HG3 ARG 85 HG3 ARG 85 16.194 -11.511 -10.301 558 HD2 ARG 85 HD2 ARG 85 14.385 -11.485 -11.730 559 HD3 ARG 85 HD3 ARG 85 15.341 -10.088 -12.228 560 HE ARG 85 HE ARG 85 15.867 -11.151 -14.275 561 HH11 ARG 85 HH11 ARG 85 13.404 -13.008 -12.728 562 HH12 ARG 85 HH12 ARG 85 13.684 -14.448 -13.651 563 HH21 ARG 85 HH21 ARG 85 15.870 -12.800 -15.747 564 HH22 ARG 85 HH22 ARG 85 14.975 -14.282 -15.395 565 H PHE 86 H PHE 86 20.700 -11.815 -11.745 566 HA PHE 86 HA PHE 86 22.153 -9.391 -11.874 567 HB2 PHE 86 HB2 PHE 86 22.602 -11.331 -10.371 568 HB3 PHE 86 HB3 PHE 86 23.194 -12.252 -11.743 569 HD1 PHE 86 HD2 PHE 86 25.382 -11.678 -12.810 570 HD2 PHE 86 HD1 PHE 86 23.923 -9.550 -9.348 571 HE1 PHE 86 HE2 PHE 86 27.643 -10.727 -12.435 572 HE2 PHE 86 HE1 PHE 86 26.183 -8.592 -8.993 573 HZ PHE 86 HZ PHE 86 28.050 -9.183 -10.530 574 H LEU 87 H LEU 87 22.269 -12.208 -14.096 575 HA LEU 87 HA LEU 87 24.185 -11.160 -15.915 576 HB2 LEU 87 HB2 LEU 87 23.597 -13.527 -15.707 577 HB3 LEU 87 HB3 LEU 87 21.951 -13.190 -16.239 578 HG LEU 87 HG LEU 87 22.728 -12.606 -18.486 579 HD11 LEU 87 HD11 LEU 87 25.503 -13.316 -17.436 580 HD12 LEU 87 HD12 LEU 87 24.968 -11.722 -18.024 581 HD13 LEU 87 HD13 LEU 87 25.076 -13.079 -19.146 582 HD21 LEU 87 HD21 LEU 87 23.437 -14.866 -19.149 583 HD22 LEU 87 HD22 LEU 87 22.150 -14.937 -17.939 584 HD23 LEU 87 HD23 LEU 87 23.834 -15.256 -17.463 585 H GLN 88 H GLN 88 20.570 -10.989 -16.058 586 HA GLN 88 HA GLN 88 20.475 -9.722 -18.606 587 HB2 GLN 88 HB2 GLN 88 18.524 -9.949 -16.294 588 HB3 GLN 88 HB3 GLN 88 18.121 -9.042 -17.759 589 HG2 GLN 88 HG2 GLN 88 18.482 -10.962 -19.178 590 HG3 GLN 88 HG3 GLN 88 19.058 -11.943 -17.840 591 HE21 GLN 88 HE21 GLN 88 16.829 -12.531 -19.629 592 HE22 GLN 88 HE22 GLN 88 15.393 -12.628 -18.643 593 H CYS 89 H CYS 89 20.804 -8.272 -15.360 594 HA CYS 89 HA CYS 89 20.829 -5.549 -16.461 595 HB2 CYS 89 2HB CYS 89 21.275 -6.813 -13.788 596 HB3 CYS 89 3HB CYS 89 22.108 -5.305 -14.118 597 H ALA 90 H ALA 90 23.456 -7.917 -15.520 598 HA ALA 90 HA ALA 90 25.564 -6.075 -16.065 599 HB1 ALA 90 HB1 ALA 90 25.568 -9.129 -16.013 600 HB2 ALA 90 HB2 ALA 90 27.004 -8.090 -15.926 601 HB3 ALA 90 HB3 ALA 90 25.814 -8.054 -14.617 602 H GLU 91 H GLU 91 23.983 -8.395 -18.274 603 HA GLU 91 HA GLU 91 25.789 -8.002 -20.499 604 HB2 GLU 91 HB2 GLU 91 24.243 -9.925 -20.232 605 HB3 GLU 91 HB3 GLU 91 22.860 -8.837 -20.396 606 HG2 GLU 91 HG2 GLU 91 23.571 -8.295 -22.721 607 HG3 GLU 91 HG3 GLU 91 24.968 -9.365 -22.539 608 H GLN 92 H GLN 92 23.143 -6.114 -19.185 609 HA GLN 92 HA GLN 92 22.744 -4.562 -21.640 610 HB2 GLN 92 HB2 GLN 92 20.870 -5.380 -20.177 611 HB3 GLN 92 HB3 GLN 92 21.413 -4.267 -18.916 612 HG2 GLN 92 HG2 GLN 92 19.544 -3.302 -20.165 613 HG3 GLN 92 HG3 GLN 92 20.995 -2.348 -20.464 614 HE21 GLN 92 HE21 GLN 92 21.739 -2.173 -22.646 615 HE22 GLN 92 HE22 GLN 92 21.065 -3.126 -23.953 616 H VAL 93 H VAL 93 24.116 -4.027 -18.368 617 HA VAL 93 HA VAL 93 25.255 -1.449 -19.364 618 HB VAL 93 HB VAL 93 25.045 -0.573 -17.029 619 HG11 VAL 93 HG11 VAL 93 22.767 0.232 -17.410 620 HG12 VAL 93 HG12 VAL 93 23.662 0.185 -18.933 621 HG13 VAL 93 HG13 VAL 93 22.465 -1.076 -18.571 622 HG21 VAL 93 HG21 VAL 93 22.874 -2.686 -16.723 623 HG22 VAL 93 HG22 VAL 93 24.417 -2.690 -15.839 624 HG23 VAL 93 HG23 VAL 93 23.260 -1.370 -15.602 Start of MODEL 8 1 H TYR 11 H TYR 11 2.703 13.016 1.741 2 HA TYR 11 HA TYR 11 0.042 11.869 1.309 3 HB2 TYR 11 HB2 TYR 11 -0.490 14.258 1.168 4 HB3 TYR 11 HB3 TYR 11 0.785 14.489 -0.026 5 HD1 TYR 11 HD1 TYR 11 -2.328 12.433 0.568 6 HD2 TYR 11 HD2 TYR 11 0.242 14.331 -2.333 7 HE1 TYR 11 HE1 TYR 11 -3.871 11.739 -1.253 8 HE2 TYR 11 HE2 TYR 11 -1.297 13.620 -4.151 9 HH TYR 11 HH TYR 11 -3.163 12.459 -4.686 10 H CYS 12 H CYS 12 -0.083 10.522 -0.274 11 HA CYS 12 HA CYS 12 1.275 10.840 -2.792 12 HB2 CYS 12 2HB CYS 12 2.974 9.587 -1.392 13 HB3 CYS 12 3HB CYS 12 1.806 8.278 -1.225 14 H GLY 13 H GLY 13 -0.222 10.185 -4.342 15 HA2 GLY 13 HA2 GLY 13 -2.861 9.377 -3.575 16 HA3 GLY 13 HA3 GLY 13 -2.222 9.428 -5.222 17 H ARG 14 H ARG 14 -0.146 7.538 -4.920 18 HA ARG 14 HA ARG 14 -1.027 4.957 -5.295 19 HB2 ARG 14 HB2 ARG 14 1.368 5.746 -5.364 20 HB3 ARG 14 HB3 ARG 14 1.362 5.842 -3.615 21 HG2 ARG 14 HG2 ARG 14 0.993 3.362 -3.485 22 HG3 ARG 14 HG3 ARG 14 1.042 3.284 -5.255 23 HD2 ARG 14 HD2 ARG 14 3.231 4.506 -3.549 24 HD3 ARG 14 HD3 ARG 14 3.194 2.780 -3.924 25 HE ARG 14 HE ARG 14 3.017 3.550 -6.421 26 HH11 ARG 14 HH11 ARG 14 5.333 5.033 -4.181 27 HH12 ARG 14 HH12 ARG 14 6.010 5.954 -5.520 28 HH21 ARG 14 HH21 ARG 14 4.107 4.757 -7.971 29 HH22 ARG 14 HH22 ARG 14 5.433 5.772 -7.421 30 H GLU 15 H GLU 15 -0.672 6.558 -2.170 31 HA GLU 15 HA GLU 15 -0.714 4.103 -0.683 32 HB2 GLU 15 HB2 GLU 15 0.443 6.362 -0.193 33 HB3 GLU 15 HB3 GLU 15 -1.132 6.853 0.487 34 HG2 GLU 15 HG2 GLU 15 -0.771 4.392 1.689 35 HG3 GLU 15 HG3 GLU 15 0.892 4.870 1.407 36 H LEU 16 H LEU 16 -3.231 6.264 -1.797 37 HA LEU 16 HA LEU 16 -5.305 5.082 -0.039 38 HB2 LEU 16 HB2 LEU 16 -5.508 7.039 -2.373 39 HB3 LEU 16 HB3 LEU 16 -6.836 6.474 -1.383 40 HG LEU 16 HG LEU 16 -6.422 8.604 -0.626 41 HD11 LEU 16 HD11 LEU 16 -5.773 8.378 1.701 42 HD12 LEU 16 HD12 LEU 16 -4.944 6.850 1.378 43 HD13 LEU 16 HD13 LEU 16 -6.714 6.959 1.211 44 HD21 LEU 16 HD21 LEU 16 -3.468 8.057 -0.215 45 HD22 LEU 16 HD22 LEU 16 -4.341 9.577 0.010 46 HD23 LEU 16 HD23 LEU 16 -4.157 8.907 -1.619 47 H GLU 17 H GLU 17 -4.150 4.857 -3.406 48 HA GLU 17 HA GLU 17 -6.171 2.978 -4.262 49 HB2 GLU 17 HB2 GLU 17 -3.452 3.807 -5.322 50 HB3 GLU 17 HB3 GLU 17 -4.369 2.482 -6.060 51 HG2 GLU 17 HG2 GLU 17 -6.275 3.959 -6.455 52 HG3 GLU 17 HG3 GLU 17 -5.437 5.301 -5.667 53 H GLN 18 H GLN 18 -2.828 2.403 -3.006 54 HA GLN 18 HA GLN 18 -3.157 -0.469 -3.231 55 HB2 GLN 18 HB2 GLN 18 -1.018 -0.717 -2.337 56 HB3 GLN 18 HB3 GLN 18 -0.974 0.697 -3.359 57 HG2 GLN 18 HG2 GLN 18 0.311 1.340 -1.545 58 HG3 GLN 18 HG3 GLN 18 -1.249 2.080 -1.190 59 HE21 GLN 18 HE21 GLN 18 0.279 -1.200 -0.524 60 HE22 GLN 18 HE22 GLN 18 -0.094 -1.094 1.184 61 H TYR 19 H TYR 19 -3.810 1.834 -0.597 62 HA TYR 19 HA TYR 19 -4.440 -0.084 1.428 63 HB2 TYR 19 HB2 TYR 19 -4.252 2.309 1.828 64 HB3 TYR 19 HB3 TYR 19 -5.620 2.649 0.780 65 HD1 TYR 19 HD2 TYR 19 -7.955 1.992 1.505 66 HD2 TYR 19 HD1 TYR 19 -4.532 1.709 4.122 67 HE1 TYR 19 HE2 TYR 19 -9.469 1.838 3.465 68 HE2 TYR 19 HE1 TYR 19 -6.063 1.578 6.089 69 HH TYR 19 HH TYR 19 -9.622 1.532 5.729 70 H GLY 20 H GLY 20 -6.446 1.266 -1.276 71 HA2 GLY 20 HA2 GLY 20 -8.665 -0.268 -0.367 72 HA3 GLY 20 HA3 GLY 20 -8.622 0.649 -1.911 73 H GLN 21 H GLN 21 -6.151 -1.396 -2.493 74 HA GLN 21 HA GLN 21 -7.851 -3.853 -2.813 75 HB2 GLN 21 HB2 GLN 21 -4.940 -3.428 -3.648 76 HB3 GLN 21 HB3 GLN 21 -5.876 -4.901 -3.881 77 HG2 GLN 21 HG2 GLN 21 -6.261 -2.238 -5.256 78 HG3 GLN 21 HG3 GLN 21 -5.746 -3.753 -5.977 79 HE21 GLN 21 HE21 GLN 21 -8.424 -1.746 -5.410 80 HE22 GLN 21 HE22 GLN 21 -9.691 -2.934 -5.756 81 H CYS 22 H CYS 22 -4.785 -2.920 -1.228 82 HA CYS 22 HA CYS 22 -4.659 -5.618 -0.205 83 HB2 CYS 22 2HB CYS 22 -2.715 -3.371 0.335 84 HB3 CYS 22 3HB CYS 22 -2.422 -5.116 0.326 85 H VAL 23 H VAL 23 -5.816 -2.603 1.266 86 HA VAL 23 HA VAL 23 -5.796 -4.045 3.898 87 HB VAL 23 HB VAL 23 -6.640 -1.190 3.328 88 HG11 VAL 23 HG11 VAL 23 -6.725 -1.029 5.815 89 HG12 VAL 23 HG12 VAL 23 -7.962 -2.095 5.168 90 HG13 VAL 23 HG13 VAL 23 -6.507 -2.790 5.923 91 HG21 VAL 23 HG21 VAL 23 -4.232 -2.401 4.775 92 HG22 VAL 23 HG22 VAL 23 -4.192 -1.496 3.245 93 HG23 VAL 23 HG23 VAL 23 -4.637 -0.677 4.740 94 H ALA 24 H ALA 24 -7.869 -3.202 1.118 95 HA ALA 24 HA ALA 24 -10.288 -3.412 2.588 96 HB1 ALA 24 HB1 ALA 24 -11.360 -3.436 0.398 97 HB2 ALA 24 HB2 ALA 24 -10.044 -2.253 0.426 98 HB3 ALA 24 HB3 ALA 24 -9.815 -3.835 -0.380 99 H ALA 25 H ALA 25 -8.416 -5.981 0.910 100 HA ALA 25 HA ALA 25 -10.499 -7.974 1.277 101 HB1 ALA 25 HB1 ALA 25 -8.689 -9.558 0.697 102 HB2 ALA 25 HB2 ALA 25 -8.756 -8.189 -0.428 103 HB3 ALA 25 HB3 ALA 25 -7.493 -8.250 0.822 104 H LYS 26 H LYS 26 -7.433 -7.387 3.049 105 HA LYS 26 HA LYS 26 -8.552 -8.261 5.635 106 HB2 LYS 26 HB2 LYS 26 -6.204 -9.623 4.245 107 HB3 LYS 26 HB3 LYS 26 -6.518 -9.755 5.969 108 HG2 LYS 26 HG2 LYS 26 -8.551 -10.974 5.635 109 HG3 LYS 26 HG3 LYS 26 -8.509 -10.710 3.873 110 HD2 LYS 26 HD2 LYS 26 -6.487 -11.976 3.630 111 HD3 LYS 26 HD3 LYS 26 -6.284 -12.112 5.386 112 HE2 LYS 26 HE2 LYS 26 -8.284 -13.502 5.559 113 HE3 LYS 26 HE3 LYS 26 -8.600 -13.321 3.827 114 HZ1 LYS 26 HZ1 LYS 26 -6.563 -14.478 3.344 115 HZ2 LYS 26 HZ2 LYS 26 -7.426 -15.411 4.381 116 HZ3 LYS 26 HZ3 LYS 26 -6.126 -14.547 4.926 117 HA PRO 27 HA PRO 27 -5.578 -5.107 6.977 118 HB2 PRO 27 HB2 PRO 27 -5.109 -6.961 9.311 119 HB3 PRO 27 HB3 PRO 27 -5.369 -5.195 9.318 120 HG2 PRO 27 HG2 PRO 27 -7.399 -6.856 9.980 121 HG3 PRO 27 HG3 PRO 27 -7.713 -5.462 8.893 122 HD2 PRO 27 HD2 PRO 27 -7.274 -8.365 8.143 123 HD3 PRO 27 HD3 PRO 27 -8.508 -7.215 7.546 124 H GLU 28 H GLU 28 -4.524 -8.572 7.265 125 HA GLU 28 HA GLU 28 -1.735 -7.855 6.884 126 HB2 GLU 28 HB2 GLU 28 -1.244 -10.151 7.051 127 HB3 GLU 28 HB3 GLU 28 -2.377 -9.731 8.318 128 HG2 GLU 28 HG2 GLU 28 -3.395 -10.959 5.725 129 HG3 GLU 28 HG3 GLU 28 -2.588 -11.959 6.921 130 H SER 29 H SER 29 -4.217 -8.170 4.560 131 HA SER 29 HA SER 29 -2.671 -9.358 2.414 132 HB2 SER 29 HB2 SER 29 -5.029 -9.416 2.256 133 HB3 SER 29 HB3 SER 29 -5.186 -7.678 2.453 134 HG SER 29 HG SER 29 -3.996 -9.056 0.261 135 H TRP 30 H TRP 30 -2.732 -6.186 3.853 136 HA TRP 30 HA TRP 30 -1.236 -4.686 1.951 137 HB2 TRP 30 HB2 TRP 30 -2.482 -3.901 3.971 138 HB3 TRP 30 HB3 TRP 30 -1.210 -4.572 4.977 139 HD1 TRP 30 HD1 TRP 30 -2.002 -1.665 2.664 140 HE1 TRP 30 HE1 TRP 30 -0.407 0.267 3.173 141 HE3 TRP 30 HE3 TRP 30 1.276 -4.132 5.721 142 HZ2 TRP 30 HZ2 TRP 30 2.039 0.675 4.666 143 HZ3 TRP 30 HZ3 TRP 30 3.192 -2.922 6.737 144 HH2 TRP 30 HH2 TRP 30 3.585 -0.529 6.218 145 H GLN 31 H GLN 31 -0.140 -7.219 4.168 146 HA GLN 31 HA GLN 31 2.700 -6.751 3.427 147 HB2 GLN 31 HB2 GLN 31 1.457 -8.942 5.133 148 HB3 GLN 31 HB3 GLN 31 3.173 -8.692 4.823 149 HG2 GLN 31 HG2 GLN 31 3.038 -6.467 5.978 150 HG3 GLN 31 HG3 GLN 31 1.335 -6.785 6.335 151 HE21 GLN 31 HE21 GLN 31 1.568 -6.877 8.673 152 HE22 GLN 31 HE22 GLN 31 2.399 -8.257 9.393 153 H ARG 32 H ARG 32 0.044 -9.081 2.816 154 HA ARG 32 HA ARG 32 1.719 -10.924 1.373 155 HB2 ARG 32 HB2 ARG 32 -0.357 -11.454 2.714 156 HB3 ARG 32 HB3 ARG 32 -1.319 -10.803 1.383 157 HG2 ARG 32 HG2 ARG 32 -0.354 -12.516 -0.142 158 HG3 ARG 32 HG3 ARG 32 0.620 -13.149 1.198 159 HD2 ARG 32 HD2 ARG 32 -1.547 -13.619 2.427 160 HD3 ARG 32 HD3 ARG 32 -2.415 -13.114 0.992 161 HE ARG 32 HE ARG 32 -1.544 -15.015 -0.233 162 HH11 ARG 32 HH11 ARG 32 -0.766 -15.302 3.203 163 HH12 ARG 32 HH12 ARG 32 -0.852 -17.051 3.131 164 HH21 ARG 32 HH21 ARG 32 -1.519 -17.246 -0.222 165 HH22 ARG 32 HH22 ARG 32 -1.061 -18.080 1.244 166 H ASP 33 H ASP 33 -0.567 -8.469 0.178 167 HA ASP 33 HA ASP 33 -0.266 -9.568 -2.563 168 HB2 ASP 33 HB2 ASP 33 -2.482 -7.999 -1.214 169 HB3 ASP 33 HB3 ASP 33 -2.494 -8.490 -2.904 170 H CYS 34 H CYS 34 0.669 -6.628 -0.980 171 HA CYS 34 HA CYS 34 1.779 -5.919 -3.582 172 HB2 CYS 34 2HB CYS 34 1.020 -3.602 -3.579 173 HB3 CYS 34 3HB CYS 34 -0.286 -4.730 -3.773 174 H HIS 35 H HIS 35 3.564 -6.677 -2.418 175 HA HIS 35 HA HIS 35 4.582 -5.299 -0.104 176 HB2 HIS 35 2HB HIS 35 4.703 -7.765 -0.616 177 HB3 HIS 35 3HB HIS 35 5.950 -7.398 -1.815 178 HD1 HIS 35 1HD HIS 35 8.381 -6.978 -0.829 179 HD2 HIS 35 2HD HIS 35 5.283 -7.147 2.015 180 HE1 HIS 35 1HE HIS 35 9.511 -6.991 1.469 181 H TYR 36 H TYR 36 5.322 -4.962 -3.571 182 HA TYR 36 HA TYR 36 7.691 -3.283 -3.059 183 HB2 TYR 36 HB2 TYR 36 6.034 -3.905 -5.516 184 HB3 TYR 36 HB3 TYR 36 7.140 -2.549 -5.495 185 HD1 TYR 36 HD1 TYR 36 9.569 -2.877 -4.896 186 HD2 TYR 36 HD2 TYR 36 6.938 -6.150 -5.878 187 HE1 TYR 36 HE1 TYR 36 11.527 -4.296 -5.382 188 HE2 TYR 36 HE2 TYR 36 8.921 -7.590 -6.364 189 HH TYR 36 HH TYR 36 12.270 -6.380 -5.924 190 H LEU 37 H LEU 37 4.229 -2.759 -3.719 191 HA LEU 37 HA LEU 37 4.322 0.074 -3.822 192 HB2 LEU 37 HB2 LEU 37 2.068 -1.808 -3.029 193 HB3 LEU 37 HB3 LEU 37 1.866 -0.087 -3.242 194 HG LEU 37 HG LEU 37 1.028 -1.240 -5.156 195 HD11 LEU 37 HD11 LEU 37 2.084 0.988 -5.481 196 HD12 LEU 37 HD12 LEU 37 2.144 -0.029 -6.925 197 HD13 LEU 37 HD13 LEU 37 3.604 0.178 -5.944 198 HD21 LEU 37 HD21 LEU 37 2.561 -3.255 -5.117 199 HD22 LEU 37 HD22 LEU 37 3.807 -2.233 -5.877 200 HD23 LEU 37 HD23 LEU 37 2.279 -2.534 -6.703 201 H LYS 38 H LYS 38 3.824 -2.069 -0.965 202 HA LYS 38 HA LYS 38 3.517 0.185 0.806 203 HB2 LYS 38 HB2 LYS 38 3.279 -1.308 2.557 204 HB3 LYS 38 HB3 LYS 38 2.558 -2.080 1.165 205 HG2 LYS 38 HG2 LYS 38 3.675 -3.878 1.960 206 HG3 LYS 38 HG3 LYS 38 4.988 -3.224 0.977 207 HD2 LYS 38 HD2 LYS 38 5.941 -2.120 2.991 208 HD3 LYS 38 HD3 LYS 38 4.565 -2.686 3.956 209 HE2 LYS 38 HE2 LYS 38 5.194 -5.029 3.524 210 HE3 LYS 38 HE3 LYS 38 6.558 -4.496 2.523 211 HZ1 LYS 38 HZ1 LYS 38 6.219 -3.843 5.404 212 HZ2 LYS 38 HZ2 LYS 38 7.495 -3.419 4.491 213 HZ3 LYS 38 HZ3 LYS 38 7.185 -5.015 4.847 214 H MET 39 H MET 39 6.393 -1.108 -0.534 215 HA MET 39 HA MET 39 8.080 0.500 1.317 216 HB2 MET 39 HB2 MET 39 8.645 -1.276 -1.059 217 HB3 MET 39 HB3 MET 39 9.793 -0.023 -0.591 218 HG2 MET 39 HG2 MET 39 10.441 -2.105 0.375 219 HG3 MET 39 HG3 MET 39 10.021 -0.960 1.639 220 HE1 MET 39 HE1 MET 39 10.346 -3.289 3.079 221 HE2 MET 39 HE2 MET 39 9.273 -4.696 2.894 222 HE3 MET 39 HE3 MET 39 10.426 -4.284 1.607 223 H SER 40 H SER 40 6.893 0.690 -2.121 224 HA SER 40 HA SER 40 8.322 3.118 -2.543 225 HB2 SER 40 HB2 SER 40 7.434 3.186 -4.710 226 HB3 SER 40 HB3 SER 40 7.758 1.492 -4.317 227 HG SER 40 HG SER 40 5.769 1.758 -5.329 228 H ILE 41 H ILE 41 5.102 2.708 -1.170 229 HA ILE 41 HA ILE 41 4.297 5.471 -1.410 230 HB ILE 41 HB ILE 41 2.986 5.087 0.643 231 HG12 ILE 41 HG12 ILE 41 4.272 2.331 0.631 232 HG13 ILE 41 HG13 ILE 41 4.400 3.548 1.883 233 HG21 ILE 41 HG21 ILE 41 2.683 3.004 -1.543 234 HG22 ILE 41 HG22 ILE 41 1.422 3.506 -0.418 235 HG23 ILE 41 HG23 ILE 41 2.075 4.676 -1.563 236 HD11 ILE 41 HD11 ILE 41 1.873 2.011 1.200 237 HD12 ILE 41 HD12 ILE 41 2.935 1.780 2.594 238 HD13 ILE 41 HD13 ILE 41 2.025 3.285 2.441 239 H ALA 42 H ALA 42 6.471 3.874 0.949 240 HA ALA 42 HA ALA 42 6.916 6.283 2.487 241 HB1 ALA 42 HB1 ALA 42 7.231 4.010 3.401 242 HB2 ALA 42 HB2 ALA 42 8.591 3.749 2.282 243 HB3 ALA 42 HB3 ALA 42 8.704 4.991 3.541 244 H GLN 43 H GLN 43 8.579 4.838 -0.343 245 HA GLN 43 HA GLN 43 10.662 6.852 -0.448 246 HB2 GLN 43 HB2 GLN 43 9.530 5.043 -2.613 247 HB3 GLN 43 HB3 GLN 43 10.912 6.120 -2.789 248 HG2 GLN 43 HG2 GLN 43 12.033 4.907 -0.860 249 HG3 GLN 43 HG3 GLN 43 10.713 3.732 -0.913 250 HE21 GLN 43 HE21 GLN 43 12.600 2.202 -1.351 251 HE22 GLN 43 HE22 GLN 43 13.122 2.088 -3.048 252 H CYS 44 H CYS 44 7.431 6.661 -2.021 253 HA CYS 44 HA CYS 44 7.547 9.045 -3.551 254 HB2 CYS 44 2HB CYS 44 5.794 7.310 -3.633 255 HB3 CYS 44 3HB CYS 44 5.240 7.768 -2.027 256 H THR 45 H THR 45 6.434 8.570 -0.161 257 HA THR 45 HA THR 45 6.254 11.438 0.333 258 HB THR 45 HB THR 45 5.710 10.803 2.616 259 HG1 THR 45 HG1 THR 45 5.593 8.124 1.787 260 HG21 THR 45 HG21 THR 45 4.150 9.212 0.537 261 HG22 THR 45 HG22 THR 45 3.900 10.918 0.970 262 HG23 THR 45 HG23 THR 45 3.584 9.644 2.158 263 H SER 46 H SER 46 8.951 9.469 0.184 264 HA SER 46 HA SER 46 10.581 10.961 2.115 265 HB2 SER 46 HB2 SER 46 11.315 8.956 -0.037 266 HB3 SER 46 HB3 SER 46 12.493 9.799 0.952 267 HG SER 46 HG SER 46 10.354 8.178 1.902 268 H SER 47 H SER 47 9.019 12.326 -0.130 269 HA SER 47 HA SER 47 11.214 13.856 -1.449 270 HB2 SER 47 HB2 SER 47 8.265 13.935 -2.143 271 HB3 SER 47 HB3 SER 47 9.648 14.451 -3.122 272 HG SER 47 HG SER 47 8.523 11.969 -2.735 273 H HIS 48 H HIS 48 9.126 14.212 1.232 274 HA HIS 48 HA HIS 48 8.217 16.884 0.728 275 HB2 HIS 48 2HB HIS 48 8.160 15.265 3.284 276 HB3 HIS 48 3HB HIS 48 7.255 16.745 2.969 277 HD1 HIS 48 1HD HIS 48 5.838 16.227 0.270 278 HD2 HIS 48 2HD HIS 48 6.429 13.326 3.255 279 HE1 HIS 48 1HE HIS 48 4.116 14.390 -0.154 280 HA PRO 49 HA PRO 49 12.152 18.645 1.777 281 HB2 PRO 49 HB2 PRO 49 11.596 21.344 1.579 282 HB3 PRO 49 HB3 PRO 49 11.756 20.239 0.184 283 HG2 PRO 49 HG2 PRO 49 9.206 21.090 1.598 284 HG3 PRO 49 HG3 PRO 49 9.554 21.105 -0.161 285 HD2 PRO 49 HD2 PRO 49 8.189 19.087 0.982 286 HD3 PRO 49 HD3 PRO 49 9.416 18.740 -0.276 287 H ILE 50 H ILE 50 13.378 19.810 3.273 288 HA ILE 50 HA ILE 50 12.236 20.166 5.990 289 HB ILE 50 HB ILE 50 15.087 20.481 4.977 290 HG12 ILE 50 HG12 ILE 50 14.565 18.196 4.551 291 HG13 ILE 50 HG13 ILE 50 15.572 18.264 5.979 292 HG21 ILE 50 HG21 ILE 50 15.747 20.190 7.347 293 HG22 ILE 50 HG22 ILE 50 14.767 21.635 7.100 294 HG23 ILE 50 HG23 ILE 50 14.036 20.190 7.818 295 HD11 ILE 50 HD11 ILE 50 12.556 17.792 5.919 296 HD12 ILE 50 HD12 ILE 50 13.822 16.611 6.284 297 HD13 ILE 50 HD13 ILE 50 13.524 17.955 7.401 298 H ILE 51 H ILE 51 12.019 22.180 6.988 299 HA ILE 51 HA ILE 51 11.622 24.484 5.349 300 HB ILE 51 HB ILE 51 11.853 24.093 8.347 301 HG12 ILE 51 HG12 ILE 51 9.518 24.567 6.436 302 HG13 ILE 51 HG13 ILE 51 9.933 23.050 7.228 303 HG21 ILE 51 HG21 ILE 51 12.511 26.444 7.879 304 HG22 ILE 51 HG22 ILE 51 11.005 26.664 6.952 305 HG23 ILE 51 HG23 ILE 51 10.971 26.341 8.697 306 HD11 ILE 51 HD11 ILE 51 9.505 24.189 9.456 307 HD12 ILE 51 HD12 ILE 51 8.817 25.548 8.528 308 HD13 ILE 51 HD13 ILE 51 8.086 23.946 8.415 309 H ARG 52 H ARG 52 12.907 26.142 4.704 310 HA ARG 52 HA ARG 52 15.622 25.585 4.343 311 HB2 ARG 52 HB2 ARG 52 14.371 28.354 4.206 312 HB3 ARG 52 HB3 ARG 52 15.930 27.868 3.533 313 HG2 ARG 52 HG2 ARG 52 14.519 26.054 2.244 314 HG3 ARG 52 HG3 ARG 52 13.156 27.122 2.596 315 HD2 ARG 52 HD2 ARG 52 15.697 27.756 1.052 316 HD3 ARG 52 HD3 ARG 52 14.044 27.651 0.425 317 HE ARG 52 HE ARG 52 14.234 29.711 2.447 318 HH11 ARG 52 HH11 ARG 52 15.139 29.185 -0.944 319 HH12 ARG 52 HH12 ARG 52 14.890 30.903 -1.279 320 HH21 ARG 52 HH21 ARG 52 14.119 31.827 1.869 321 HH22 ARG 52 HH22 ARG 52 14.377 32.282 0.187 322 H GLN 53 H GLN 53 14.367 27.897 6.745 323 HA GLN 53 HA GLN 53 16.789 28.854 7.791 324 HB2 GLN 53 HB2 GLN 53 14.483 29.646 8.295 325 HB3 GLN 53 HB3 GLN 53 14.158 28.156 9.184 326 HG2 GLN 53 HG2 GLN 53 15.861 28.853 10.880 327 HG3 GLN 53 HG3 GLN 53 16.160 30.324 9.944 328 HE21 GLN 53 HE21 GLN 53 15.455 31.672 11.745 329 HE22 GLN 53 HE22 GLN 53 13.772 31.749 12.192 330 H ILE 54 H ILE 54 15.163 25.791 8.505 331 HA ILE 54 HA ILE 54 17.084 25.019 10.594 332 HB ILE 54 HB ILE 54 14.919 23.292 9.336 333 HG12 ILE 54 HG12 ILE 54 14.595 25.192 11.707 334 HG13 ILE 54 HG13 ILE 54 13.820 25.366 10.130 335 HG21 ILE 54 HG21 ILE 54 15.092 22.069 11.466 336 HG22 ILE 54 HG22 ILE 54 16.685 22.201 10.726 337 HG23 ILE 54 HG23 ILE 54 16.261 23.260 12.082 338 HD11 ILE 54 HD11 ILE 54 12.635 23.189 10.479 339 HD12 ILE 54 HD12 ILE 54 13.254 23.176 12.148 340 HD13 ILE 54 HD13 ILE 54 12.189 24.481 11.613 341 H ARG 55 H ARG 55 16.230 24.108 7.251 342 HA ARG 55 HA ARG 55 18.075 22.049 6.718 343 HB2 ARG 55 HB2 ARG 55 16.132 23.063 5.300 344 HB3 ARG 55 HB3 ARG 55 17.327 24.243 4.750 345 HG2 ARG 55 HG2 ARG 55 18.741 22.203 4.014 346 HG3 ARG 55 HG3 ARG 55 17.284 21.241 4.282 347 HD2 ARG 55 HD2 ARG 55 17.647 23.587 2.365 348 HD3 ARG 55 HD3 ARG 55 17.482 21.881 1.928 349 HE ARG 55 HE ARG 55 15.122 22.511 3.326 350 HH11 ARG 55 HH11 ARG 55 16.602 23.513 0.293 351 HH12 ARG 55 HH12 ARG 55 15.015 23.885 -0.379 352 HH21 ARG 55 HH21 ARG 55 13.253 23.125 2.405 353 HH22 ARG 55 HH22 ARG 55 13.206 23.706 0.744 354 H GLN 56 H GLN 56 18.663 25.587 6.672 355 HA GLN 56 HA GLN 56 21.353 25.425 5.675 356 HB2 GLN 56 HB2 GLN 56 19.923 27.416 5.623 357 HB3 GLN 56 HB3 GLN 56 19.955 27.520 7.386 358 HG2 GLN 56 HG2 GLN 56 22.333 28.016 7.377 359 HG3 GLN 56 HG3 GLN 56 22.455 27.672 5.645 360 HE21 GLN 56 HE21 GLN 56 21.655 29.249 4.127 361 HE22 GLN 56 HE22 GLN 56 21.278 30.883 4.662 362 H ALA 57 H ALA 57 20.045 25.069 8.969 363 HA ALA 57 HA ALA 57 22.755 25.313 10.130 364 HB1 ALA 57 HB1 ALA 57 21.500 25.750 12.206 365 HB2 ALA 57 HB2 ALA 57 20.995 26.827 10.891 366 HB3 ALA 57 HB3 ALA 57 19.974 25.445 11.353 367 H CYS 58 H CYS 58 20.206 22.825 9.857 368 HA CYS 58 HA CYS 58 21.270 21.344 12.078 369 HB2 CYS 58 2HB CYS 58 19.510 19.840 11.820 370 HB3 CYS 58 3HB CYS 58 18.918 21.484 11.704 371 H ALA 59 H ALA 59 23.420 21.534 10.637 372 HA ALA 59 HA ALA 59 24.143 19.295 9.004 373 HB1 ALA 59 HB1 ALA 59 25.804 21.171 10.746 374 HB2 ALA 59 HB2 ALA 59 26.435 20.093 9.484 375 HB3 ALA 59 HB3 ALA 59 25.360 21.431 9.046 376 H GLN 60 H GLN 60 24.270 19.751 12.619 377 HA GLN 60 HA GLN 60 25.717 17.297 13.057 378 HB2 GLN 60 HB2 GLN 60 23.933 18.922 14.901 379 HB3 GLN 60 HB3 GLN 60 24.828 17.475 15.376 380 HG2 GLN 60 HG2 GLN 60 26.943 18.607 14.745 381 HG3 GLN 60 HG3 GLN 60 26.035 20.082 14.377 382 HE21 GLN 60 HE21 GLN 60 28.099 19.368 16.566 383 HE22 GLN 60 HE22 GLN 60 27.250 19.682 18.093 384 HA PRO 61 HA PRO 61 21.337 15.121 13.097 385 HB2 PRO 61 HB2 PRO 61 20.012 17.299 11.453 386 HB3 PRO 61 HB3 PRO 61 19.236 16.049 12.466 387 HG2 PRO 61 HG2 PRO 61 19.571 18.492 13.501 388 HG3 PRO 61 HG3 PRO 61 20.088 17.082 14.481 389 HD2 PRO 61 HD2 PRO 61 21.805 18.919 12.794 390 HD3 PRO 61 HD3 PRO 61 22.054 18.297 14.448 391 H PHE 62 H PHE 62 22.875 16.904 10.407 392 HA PHE 62 HA PHE 62 22.069 14.982 8.360 393 HB2 PHE 62 HB2 PHE 62 23.037 17.385 8.051 394 HB3 PHE 62 HB3 PHE 62 24.603 16.622 8.245 395 HD1 PHE 62 HD2 PHE 62 24.333 14.061 6.674 396 HD2 PHE 62 HD1 PHE 62 22.968 18.076 5.843 397 HE1 PHE 62 HE2 PHE 62 24.412 13.587 4.265 398 HE2 PHE 62 HE1 PHE 62 23.082 17.590 3.420 399 HZ PHE 62 HZ PHE 62 23.813 15.350 2.620 400 H GLU 63 H GLU 63 25.092 15.448 10.269 401 HA GLU 63 HA GLU 63 26.342 13.036 9.498 402 HB2 GLU 63 HB2 GLU 63 26.476 14.384 12.225 403 HB3 GLU 63 HB3 GLU 63 27.616 13.199 11.597 404 HG2 GLU 63 HG2 GLU 63 27.166 15.975 10.434 405 HG3 GLU 63 HG3 GLU 63 28.471 15.511 11.517 406 H ALA 64 H ALA 64 23.881 13.482 12.084 407 HA ALA 64 HA ALA 64 24.113 10.764 13.029 408 HB1 ALA 64 HB1 ALA 64 22.247 11.367 14.462 409 HB2 ALA 64 HB2 ALA 64 23.401 12.709 14.412 410 HB3 ALA 64 HB3 ALA 64 21.891 12.800 13.473 411 H PHE 65 H PHE 65 22.018 12.160 10.513 412 HA PHE 65 HA PHE 65 20.499 9.637 10.103 413 HB2 PHE 65 HB2 PHE 65 19.279 11.431 9.242 414 HB3 PHE 65 HB3 PHE 65 20.721 12.354 8.872 415 HD1 PHE 65 HD1 PHE 65 18.787 9.368 7.620 416 HD2 PHE 65 HD2 PHE 65 21.611 12.500 6.709 417 HE1 PHE 65 HE1 PHE 65 18.715 8.752 5.224 418 HE2 PHE 65 HE2 PHE 65 21.479 11.916 4.303 419 HZ PHE 65 HZ PHE 65 20.037 10.038 3.559 420 H GLU 66 H GLU 66 23.271 11.254 8.594 421 HA GLU 66 HA GLU 66 23.573 9.120 6.684 422 HB2 GLU 66 HB2 GLU 66 23.928 11.244 5.986 423 HB3 GLU 66 HB3 GLU 66 24.918 11.735 7.306 424 HG2 GLU 66 HG2 GLU 66 25.717 9.709 5.156 425 HG3 GLU 66 HG3 GLU 66 26.007 11.439 5.030 426 H GLU 67 H GLU 67 24.807 9.519 9.937 427 HA GLU 67 HA GLU 67 26.637 7.303 9.879 428 HB2 GLU 67 HB2 GLU 67 26.572 9.026 11.632 429 HB3 GLU 67 HB3 GLU 67 25.040 8.381 12.227 430 HG2 GLU 67 HG2 GLU 67 26.115 6.320 12.903 431 HG3 GLU 67 HG3 GLU 67 27.585 6.717 12.008 432 H CYS 68 H CYS 68 23.083 7.392 9.897 433 HA CYS 68 HA CYS 68 22.773 4.588 10.654 434 HB2 CYS 68 2HB CYS 68 20.962 6.323 10.767 435 HB3 CYS 68 3HB CYS 68 20.849 6.262 9.008 436 H LEU 69 H LEU 69 22.565 6.260 7.438 437 HA LEU 69 HA LEU 69 22.972 4.087 5.781 438 HB2 LEU 69 HB2 LEU 69 23.612 7.046 5.578 439 HB3 LEU 69 HB3 LEU 69 23.921 5.951 4.250 440 HG LEU 69 HG LEU 69 21.571 5.396 4.017 441 HD11 LEU 69 HD11 LEU 69 19.807 6.625 5.198 442 HD12 LEU 69 HD12 LEU 69 21.016 7.316 6.305 443 HD13 LEU 69 HD13 LEU 69 20.682 5.556 6.269 444 HD21 LEU 69 HD21 LEU 69 22.041 8.393 4.219 445 HD22 LEU 69 HD22 LEU 69 20.788 7.579 3.245 446 HD23 LEU 69 HD23 LEU 69 22.495 7.358 2.850 447 H ARG 70 H ARG 70 25.454 5.506 7.865 448 HA ARG 70 HA ARG 70 27.758 4.653 6.412 449 HB2 ARG 70 HB2 ARG 70 27.641 6.113 8.463 450 HB3 ARG 70 HB3 ARG 70 27.462 4.633 9.430 451 HG2 ARG 70 HG2 ARG 70 29.660 3.842 8.496 452 HG3 ARG 70 HG3 ARG 70 29.786 5.378 7.611 453 HD2 ARG 70 HD2 ARG 70 29.606 6.573 9.860 454 HD3 ARG 70 HD3 ARG 70 29.683 4.991 10.631 455 HE ARG 70 HE ARG 70 31.932 4.754 10.025 456 HH11 ARG 70 HH11 ARG 70 30.753 7.800 8.668 457 HH12 ARG 70 HH12 ARG 70 32.387 8.260 8.217 458 HH21 ARG 70 HH21 ARG 70 33.853 5.368 9.110 459 HH22 ARG 70 HH22 ARG 70 34.036 7.012 8.513 460 H GLN 71 H GLN 71 25.706 2.810 8.670 461 HA GLN 71 HA GLN 71 27.113 0.292 7.854 462 HB2 GLN 71 HB2 GLN 71 25.245 0.755 10.203 463 HB3 GLN 71 HB3 GLN 71 26.108 -0.731 9.798 464 HG2 GLN 71 HG2 GLN 71 28.284 0.488 10.124 465 HG3 GLN 71 HG3 GLN 71 27.369 1.897 10.673 466 HE21 GLN 71 HE21 GLN 71 28.840 1.456 12.635 467 HE22 GLN 71 HE22 GLN 71 28.262 0.251 13.794 468 H ASN 72 H ASN 72 24.449 2.034 6.879 469 HA ASN 72 HA ASN 72 23.015 -0.363 5.873 470 HB2 ASN 72 HB2 ASN 72 21.620 1.848 7.436 471 HB3 ASN 72 HB3 ASN 72 20.879 0.424 6.766 472 HD21 ASN 72 HD21 ASN 72 22.873 1.619 9.378 473 HD22 ASN 72 HD22 ASN 72 22.693 0.171 10.378 474 H GLU 73 H GLU 73 24.535 1.894 4.404 475 HA GLU 73 HA GLU 73 22.640 3.710 3.418 476 HB2 GLU 73 HB2 GLU 73 24.138 3.977 1.378 477 HB3 GLU 73 HB3 GLU 73 24.815 4.314 2.931 478 HG2 GLU 73 HG2 GLU 73 26.553 3.238 1.940 479 HG3 GLU 73 HG3 GLU 73 25.836 1.913 2.819 480 H ALA 74 H ALA 74 23.045 0.381 2.601 481 HA ALA 74 HA ALA 74 21.516 0.224 0.152 482 HB1 ALA 74 HB1 ALA 74 23.261 -1.399 0.883 483 HB2 ALA 74 HB2 ALA 74 22.292 -1.793 2.318 484 HB3 ALA 74 HB3 ALA 74 21.694 -2.209 0.699 485 H ALA 75 H ALA 75 20.558 0.407 3.542 486 HA ALA 75 HA ALA 75 17.977 -0.990 2.979 487 HB1 ALA 75 HB1 ALA 75 19.520 -0.827 5.584 488 HB2 ALA 75 HB2 ALA 75 18.001 -1.694 5.305 489 HB3 ALA 75 HB3 ALA 75 19.482 -2.219 4.481 490 H VAL 76 H VAL 76 17.868 1.435 2.131 491 HA VAL 76 HA VAL 76 17.317 3.542 3.931 492 HB VAL 76 HB VAL 76 16.275 3.129 1.103 493 HG11 VAL 76 HG11 VAL 76 16.643 5.668 2.743 494 HG12 VAL 76 HG12 VAL 76 16.231 5.597 1.016 495 HG13 VAL 76 HG13 VAL 76 15.091 4.980 2.205 496 HG21 VAL 76 HG21 VAL 76 18.743 2.994 1.152 497 HG22 VAL 76 HG22 VAL 76 18.245 4.530 0.452 498 HG23 VAL 76 HG23 VAL 76 18.824 4.475 2.130 499 H GLY 77 H GLY 77 15.293 0.869 2.968 500 HA2 GLY 77 HA2 GLY 77 12.735 1.751 3.847 501 HA3 GLY 77 HA3 GLY 77 13.326 0.087 3.799 502 H ASN 78 H ASN 78 15.598 1.064 5.758 503 HA ASN 78 HA ASN 78 13.997 0.948 8.273 504 HB2 ASN 78 HB2 ASN 78 16.939 0.428 7.687 505 HB3 ASN 78 HB3 ASN 78 16.285 0.594 9.311 506 HD21 ASN 78 HD21 ASN 78 17.379 -1.666 9.267 507 HD22 ASN 78 HD22 ASN 78 16.210 -2.958 8.990 508 H CYS 79 H CYS 79 16.451 3.078 6.640 509 HA CYS 79 HA CYS 79 15.297 5.316 8.169 510 HB2 CYS 79 2HB CYS 79 17.562 6.157 8.811 511 HB3 CYS 79 3HB CYS 79 17.015 4.723 9.667 512 H ALA 80 H ALA 80 15.165 7.175 7.016 513 HA ALA 80 HA ALA 80 16.514 7.306 4.354 514 HB1 ALA 80 HB1 ALA 80 14.286 6.206 4.221 515 HB2 ALA 80 HB2 ALA 80 13.543 7.666 4.908 516 HB3 ALA 80 HB3 ALA 80 14.362 7.725 3.326 517 H GLU 81 H GLU 81 15.994 9.451 3.200 518 HA GLU 81 HA GLU 81 17.466 11.253 4.881 519 HB2 GLU 81 HB2 GLU 81 16.765 12.540 2.387 520 HB3 GLU 81 HB3 GLU 81 18.307 12.031 3.011 521 HG2 GLU 81 HG2 GLU 81 18.178 10.980 0.963 522 HG3 GLU 81 HG3 GLU 81 17.761 9.681 2.061 523 H HIS 82 H HIS 82 14.437 12.092 3.059 524 HA HIS 82 HA HIS 82 14.150 14.491 4.645 525 HB2 HIS 82 2HB HIS 82 12.248 13.017 2.784 526 HB3 HIS 82 3HB HIS 82 11.828 14.511 3.606 527 HD1 HIS 82 1HD HIS 82 13.423 13.380 0.462 528 HD2 HIS 82 2HD HIS 82 13.437 16.751 2.968 529 HE1 HIS 82 1HE HIS 82 14.422 15.284 -0.905 530 H MET 83 H MET 83 13.138 11.169 5.233 531 HA MET 83 HA MET 83 11.248 11.957 7.335 532 HB2 MET 83 HB2 MET 83 12.406 9.259 6.549 533 HB3 MET 83 HB3 MET 83 11.230 9.504 7.854 534 HG2 MET 83 HG2 MET 83 9.676 10.581 6.247 535 HG3 MET 83 HG3 MET 83 10.804 10.238 4.933 536 HE1 MET 83 HE1 MET 83 7.787 7.874 4.203 537 HE2 MET 83 HE2 MET 83 7.717 9.496 4.927 538 HE3 MET 83 HE3 MET 83 8.835 9.165 3.587 539 H ARG 84 H ARG 84 14.628 10.568 7.492 540 HA ARG 84 HA ARG 84 14.534 10.903 10.425 541 HB2 ARG 84 HB2 ARG 84 15.645 8.964 9.340 542 HB3 ARG 84 HB3 ARG 84 16.857 10.063 8.661 543 HG2 ARG 84 HG2 ARG 84 17.621 10.687 10.892 544 HG3 ARG 84 HG3 ARG 84 16.318 9.753 11.652 545 HD2 ARG 84 HD2 ARG 84 17.245 7.672 10.836 546 HD3 ARG 84 HD3 ARG 84 18.424 8.517 9.840 547 HE ARG 84 HE ARG 84 19.302 9.465 12.093 548 HH11 ARG 84 HH11 ARG 84 17.640 6.392 12.376 549 HH12 ARG 84 HH12 ARG 84 18.841 5.792 13.487 550 HH21 ARG 84 HH21 ARG 84 20.967 8.460 13.133 551 HH22 ARG 84 HH22 ARG 84 20.726 6.881 13.826 552 H ARG 85 H ARG 85 15.914 12.762 7.687 553 HA ARG 85 HA ARG 85 17.376 14.606 9.399 554 HB2 ARG 85 HB2 ARG 85 16.150 15.074 6.652 555 HB3 ARG 85 HB3 ARG 85 17.162 16.213 7.492 556 HG2 ARG 85 HG2 ARG 85 18.089 13.430 6.631 557 HG3 ARG 85 HG3 ARG 85 18.339 14.904 5.719 558 HD2 ARG 85 HD2 ARG 85 19.545 14.118 8.389 559 HD3 ARG 85 HD3 ARG 85 20.403 14.352 6.881 560 HE ARG 85 HE ARG 85 19.863 16.306 8.861 561 HH11 ARG 85 HH11 ARG 85 19.847 16.249 5.318 562 HH12 ARG 85 HH12 ARG 85 20.063 17.973 5.236 563 HH21 ARG 85 HH21 ARG 85 20.496 18.389 8.646 564 HH22 ARG 85 HH22 ARG 85 20.572 19.106 7.080 565 H PHE 86 H PHE 86 13.939 14.675 8.174 566 HA PHE 86 HA PHE 86 13.221 17.092 9.461 567 HB2 PHE 86 HB2 PHE 86 11.791 15.891 7.869 568 HB3 PHE 86 HB3 PHE 86 11.539 14.590 9.028 569 HD1 PHE 86 HD2 PHE 86 10.250 15.124 11.205 570 HD2 PHE 86 HD1 PHE 86 10.438 17.827 7.846 571 HE1 PHE 86 HE2 PHE 86 8.303 16.374 12.096 572 HE2 PHE 86 HE1 PHE 86 8.431 18.999 8.687 573 HZ PHE 86 HZ PHE 86 7.395 18.320 10.852 574 H LEU 87 H LEU 87 13.038 13.767 10.810 575 HA LEU 87 HA LEU 87 12.057 14.445 13.348 576 HB2 LEU 87 HB2 LEU 87 12.228 12.165 12.265 577 HB3 LEU 87 HB3 LEU 87 13.963 12.193 12.552 578 HG LEU 87 HG LEU 87 13.466 12.346 15.049 579 HD11 LEU 87 HD11 LEU 87 10.655 11.671 14.066 580 HD12 LEU 87 HD12 LEU 87 11.129 13.155 14.926 581 HD13 LEU 87 HD13 LEU 87 11.202 11.596 15.754 582 HD21 LEU 87 HD21 LEU 87 12.925 9.954 15.236 583 HD22 LEU 87 HD22 LEU 87 14.094 10.228 13.935 584 HD23 LEU 87 HD23 LEU 87 12.385 9.922 13.546 585 H GLN 88 H GLN 88 15.528 13.981 12.463 586 HA GLN 88 HA GLN 88 16.336 14.765 15.152 587 HB2 GLN 88 HB2 GLN 88 17.993 14.113 12.687 588 HB3 GLN 88 HB3 GLN 88 18.639 14.426 14.312 589 HG2 GLN 88 HG2 GLN 88 17.154 12.532 15.155 590 HG3 GLN 88 HG3 GLN 88 16.807 12.137 13.474 591 HE21 GLN 88 HE21 GLN 88 19.249 11.994 16.050 592 HE22 GLN 88 HE22 GLN 88 20.248 10.848 15.161 593 H CYS 89 H CYS 89 15.980 16.571 12.121 594 HA CYS 89 HA CYS 89 17.352 18.946 13.106 595 HB2 CYS 89 2HB CYS 89 15.374 18.529 10.843 596 HB3 CYS 89 3HB CYS 89 16.162 20.047 11.204 597 H ALA 90 H ALA 90 13.865 17.898 13.055 598 HA ALA 90 HA ALA 90 12.843 20.261 14.295 599 HB1 ALA 90 HB1 ALA 90 11.426 18.580 13.164 600 HB2 ALA 90 HB2 ALA 90 11.851 17.371 14.396 601 HB3 ALA 90 HB3 ALA 90 10.908 18.811 14.840 602 H GLU 91 H GLU 91 14.527 17.476 15.667 603 HA GLU 91 HA GLU 91 14.002 18.261 18.436 604 HB2 GLU 91 HB2 GLU 91 14.386 15.925 17.538 605 HB3 GLU 91 HB3 GLU 91 16.097 16.333 17.378 606 HG2 GLU 91 HG2 GLU 91 16.298 16.684 19.771 607 HG3 GLU 91 HG3 GLU 91 14.543 16.619 19.989 608 H GLN 92 H GLN 92 16.292 19.273 16.029 609 HA GLN 92 HA GLN 92 18.391 20.051 17.890 610 HB2 GLN 92 HB2 GLN 92 18.612 19.201 15.467 611 HB3 GLN 92 HB3 GLN 92 18.112 20.809 14.957 612 HG2 GLN 92 HG2 GLN 92 20.525 20.668 14.880 613 HG3 GLN 92 HG3 GLN 92 20.081 21.767 16.177 614 HE21 GLN 92 HE21 GLN 92 21.682 21.488 17.736 615 HE22 GLN 92 HE22 GLN 92 22.198 19.913 18.331 616 H VAL 93 H VAL 93 15.658 21.723 16.383 617 HA VAL 93 HA VAL 93 16.676 24.382 16.668 618 HB VAL 93 HB VAL 93 14.342 25.132 16.340 619 HG11 VAL 93 HG11 VAL 93 15.216 22.977 14.379 620 HG12 VAL 93 HG12 VAL 93 14.155 24.365 14.062 621 HG13 VAL 93 HG13 VAL 93 15.861 24.634 14.443 622 HG21 VAL 93 HG21 VAL 93 12.586 23.533 15.803 623 HG22 VAL 93 HG22 VAL 93 13.656 22.175 16.146 624 HG23 VAL 93 HG23 VAL 93 13.140 23.255 17.462 Start of MODEL 9 1 H TYR 11 H TYR 11 2.590 14.495 -0.143 2 HA TYR 11 HA TYR 11 3.146 11.714 0.814 3 HB2 TYR 11 HB2 TYR 11 0.423 12.995 0.814 4 HB3 TYR 11 HB3 TYR 11 0.986 11.603 1.709 5 HD1 TYR 11 HD1 TYR 11 3.091 12.323 3.431 6 HD2 TYR 11 HD2 TYR 11 -0.200 14.784 2.130 7 HE1 TYR 11 HE1 TYR 11 3.283 13.685 5.509 8 HE2 TYR 11 HE2 TYR 11 -0.028 16.119 4.214 9 HH TYR 11 HH TYR 11 2.471 15.504 6.694 10 H CYS 12 H CYS 12 1.829 10.002 -0.399 11 HA CYS 12 HA CYS 12 1.080 10.948 -3.154 12 HB2 CYS 12 2HB CYS 12 2.481 8.442 -2.238 13 HB3 CYS 12 3HB CYS 12 1.617 8.541 -3.772 14 H GLY 13 H GLY 13 -0.736 10.276 -4.157 15 HA2 GLY 13 HA2 GLY 13 -2.967 9.337 -2.495 16 HA3 GLY 13 HA3 GLY 13 -3.013 9.862 -4.184 17 H ARG 14 H ARG 14 -0.768 7.826 -4.829 18 HA ARG 14 HA ARG 14 -2.293 5.455 -5.293 19 HB2 ARG 14 HB2 ARG 14 -0.282 4.334 -5.782 20 HB3 ARG 14 HB3 ARG 14 -0.254 5.929 -6.522 21 HG2 ARG 14 HG2 ARG 14 1.698 6.473 -5.472 22 HG3 ARG 14 HG3 ARG 14 1.062 6.009 -3.909 23 HD2 ARG 14 HD2 ARG 14 3.011 4.641 -4.466 24 HD3 ARG 14 HD3 ARG 14 1.562 3.661 -4.337 25 HE ARG 14 HE ARG 14 1.513 3.371 -6.758 26 HH11 ARG 14 HH11 ARG 14 4.312 5.385 -5.972 27 HH12 ARG 14 HH12 ARG 14 4.999 5.025 -7.556 28 HH21 ARG 14 HH21 ARG 14 2.605 3.015 -8.703 29 HH22 ARG 14 HH22 ARG 14 4.107 3.886 -8.933 30 H GLU 15 H GLU 15 -0.925 6.519 -2.330 31 HA GLU 15 HA GLU 15 -0.883 3.990 -0.948 32 HB2 GLU 15 HB2 GLU 15 0.194 6.339 -0.404 33 HB3 GLU 15 HB3 GLU 15 -1.386 6.714 0.302 34 HG2 GLU 15 HG2 GLU 15 -1.023 4.457 1.610 35 HG3 GLU 15 HG3 GLU 15 0.645 4.616 1.070 36 H LEU 16 H LEU 16 -3.500 6.290 -1.667 37 HA LEU 16 HA LEU 16 -5.350 4.828 0.087 38 HB2 LEU 16 HB2 LEU 16 -5.495 7.283 -0.136 39 HB3 LEU 16 HB3 LEU 16 -5.735 7.137 -1.877 40 HG LEU 16 HG LEU 16 -7.914 6.015 -1.488 41 HD11 LEU 16 HD11 LEU 16 -8.916 6.052 0.783 42 HD12 LEU 16 HD12 LEU 16 -7.367 6.612 1.452 43 HD13 LEU 16 HD13 LEU 16 -7.498 4.997 0.723 44 HD21 LEU 16 HD21 LEU 16 -9.117 7.985 -0.686 45 HD22 LEU 16 HD22 LEU 16 -7.773 8.475 -1.728 46 HD23 LEU 16 HD23 LEU 16 -7.624 8.642 0.031 47 H GLU 17 H GLU 17 -4.721 5.045 -3.435 48 HA GLU 17 HA GLU 17 -6.939 3.259 -4.037 49 HB2 GLU 17 HB2 GLU 17 -5.874 4.802 -5.732 50 HB3 GLU 17 HB3 GLU 17 -4.479 3.705 -5.773 51 HG2 GLU 17 HG2 GLU 17 -6.019 1.837 -6.443 52 HG3 GLU 17 HG3 GLU 17 -7.378 2.962 -6.396 53 H GLN 18 H GLN 18 -3.408 2.564 -3.589 54 HA GLN 18 HA GLN 18 -3.947 -0.234 -4.192 55 HB2 GLN 18 HB2 GLN 18 -1.405 1.110 -3.226 56 HB3 GLN 18 HB3 GLN 18 -1.544 -0.565 -3.758 57 HG2 GLN 18 HG2 GLN 18 -2.074 1.894 -5.490 58 HG3 GLN 18 HG3 GLN 18 -0.654 0.876 -5.559 59 HE21 GLN 18 HE21 GLN 18 -3.732 1.376 -6.936 60 HE22 GLN 18 HE22 GLN 18 -3.988 -0.227 -7.601 61 H TYR 19 H TYR 19 -3.468 1.536 -1.030 62 HA TYR 19 HA TYR 19 -3.711 -1.049 0.368 63 HB2 TYR 19 HB2 TYR 19 -3.852 1.774 1.426 64 HB3 TYR 19 HB3 TYR 19 -4.052 0.339 2.393 65 HD1 TYR 19 HD1 TYR 19 -1.594 -0.959 0.364 66 HD2 TYR 19 HD2 TYR 19 -2.139 2.189 3.285 67 HE1 TYR 19 HE1 TYR 19 0.774 -1.159 1.037 68 HE2 TYR 19 HE2 TYR 19 0.247 1.980 3.930 69 HH TYR 19 HH TYR 19 2.188 0.811 3.669 70 H GLY 20 H GLY 20 -5.985 1.175 -1.070 71 HA2 GLY 20 HA2 GLY 20 -8.280 0.031 0.265 72 HA3 GLY 20 HA3 GLY 20 -8.289 0.958 -1.263 73 H GLN 21 H GLN 21 -6.292 -1.149 -2.416 74 HA GLN 21 HA GLN 21 -8.087 -3.491 -2.734 75 HB2 GLN 21 HB2 GLN 21 -6.263 -2.624 -4.445 76 HB3 GLN 21 HB3 GLN 21 -5.133 -3.555 -3.439 77 HG2 GLN 21 HG2 GLN 21 -7.658 -4.740 -4.676 78 HG3 GLN 21 HG3 GLN 21 -6.084 -4.727 -5.450 79 HE21 GLN 21 HE21 GLN 21 -4.283 -5.947 -4.480 80 HE22 GLN 21 HE22 GLN 21 -4.634 -7.294 -3.429 81 H CYS 22 H CYS 22 -4.865 -2.940 -1.318 82 HA CYS 22 HA CYS 22 -4.758 -5.610 -0.550 83 HB2 CYS 22 2HB CYS 22 -2.955 -3.307 0.235 84 HB3 CYS 22 3HB CYS 22 -2.550 -5.022 0.294 85 H VAL 23 H VAL 23 -5.948 -2.932 1.492 86 HA VAL 23 HA VAL 23 -5.948 -4.728 3.869 87 HB VAL 23 HB VAL 23 -7.201 -1.998 3.495 88 HG11 VAL 23 HG11 VAL 23 -8.333 -3.198 5.313 89 HG12 VAL 23 HG12 VAL 23 -6.762 -3.665 6.009 90 HG13 VAL 23 HG13 VAL 23 -7.274 -1.973 5.996 91 HG21 VAL 23 HG21 VAL 23 -5.321 -1.191 4.892 92 HG22 VAL 23 HG22 VAL 23 -4.645 -2.828 4.940 93 HG23 VAL 23 HG23 VAL 23 -4.707 -1.920 3.409 94 H ALA 24 H ALA 24 -8.065 -3.918 1.166 95 HA ALA 24 HA ALA 24 -10.490 -4.899 2.438 96 HB1 ALA 24 HB1 ALA 24 -11.484 -4.511 0.243 97 HB2 ALA 24 HB2 ALA 24 -10.472 -3.129 0.700 98 HB3 ALA 24 HB3 ALA 24 -9.879 -4.312 -0.487 99 H ALA 25 H ALA 25 -7.826 -6.413 0.839 100 HA ALA 25 HA ALA 25 -9.164 -8.919 0.196 101 HB1 ALA 25 HB1 ALA 25 -6.883 -9.653 -0.321 102 HB2 ALA 25 HB2 ALA 25 -7.190 -8.046 -1.009 103 HB3 ALA 25 HB3 ALA 25 -6.206 -8.202 0.453 104 H LYS 26 H LYS 26 -6.741 -8.018 2.690 105 HA LYS 26 HA LYS 26 -8.151 -9.458 4.806 106 HB2 LYS 26 HB2 LYS 26 -5.229 -10.118 4.165 107 HB3 LYS 26 HB3 LYS 26 -6.050 -10.543 5.653 108 HG2 LYS 26 HG2 LYS 26 -7.629 -11.966 4.414 109 HG3 LYS 26 HG3 LYS 26 -6.779 -11.581 2.896 110 HD2 LYS 26 HD2 LYS 26 -4.763 -12.673 3.637 111 HD3 LYS 26 HD3 LYS 26 -5.388 -12.851 5.278 112 HE2 LYS 26 HE2 LYS 26 -5.477 -14.989 4.140 113 HE3 LYS 26 HE3 LYS 26 -7.106 -14.422 4.530 114 HZ1 LYS 26 HZ1 LYS 26 -7.363 -13.735 2.219 115 HZ2 LYS 26 HZ2 LYS 26 -7.021 -15.314 2.289 116 HZ3 LYS 26 HZ3 LYS 26 -5.848 -14.253 1.830 117 HA PRO 27 HA PRO 27 -6.667 -5.754 6.754 118 HB2 PRO 27 HB2 PRO 27 -6.481 -6.365 9.412 119 HB3 PRO 27 HB3 PRO 27 -8.028 -6.170 8.540 120 HG2 PRO 27 HG2 PRO 27 -6.551 -8.763 9.127 121 HG3 PRO 27 HG3 PRO 27 -8.278 -8.378 9.428 122 HD2 PRO 27 HD2 PRO 27 -7.521 -9.711 7.195 123 HD3 PRO 27 HD3 PRO 27 -8.793 -8.456 7.108 124 H GLU 28 H GLU 28 -4.696 -8.635 7.074 125 HA GLU 28 HA GLU 28 -2.209 -7.126 7.684 126 HB2 GLU 28 HB2 GLU 28 -1.158 -9.307 7.787 127 HB3 GLU 28 HB3 GLU 28 -2.589 -9.273 8.812 128 HG2 GLU 28 HG2 GLU 28 -3.876 -10.481 7.033 129 HG3 GLU 28 HG3 GLU 28 -2.414 -10.550 6.044 130 H SER 29 H SER 29 -3.991 -7.695 4.884 131 HA SER 29 HA SER 29 -1.715 -8.456 3.264 132 HB2 SER 29 HB2 SER 29 -4.630 -8.292 2.829 133 HB3 SER 29 HB3 SER 29 -3.609 -8.069 1.425 134 HG SER 29 HG SER 29 -3.836 -10.276 1.661 135 H TRP 30 H TRP 30 -2.531 -5.432 4.342 136 HA TRP 30 HA TRP 30 -1.410 -3.866 2.164 137 HB2 TRP 30 HB2 TRP 30 -0.890 -2.223 3.818 138 HB3 TRP 30 HB3 TRP 30 -2.494 -2.844 4.133 139 HD1 TRP 30 HD1 TRP 30 -2.654 -4.634 6.244 140 HE1 TRP 30 HE1 TRP 30 -1.453 -4.600 8.510 141 HE3 TRP 30 HE3 TRP 30 1.235 -1.552 5.011 142 HZ2 TRP 30 HZ2 TRP 30 0.889 -3.347 9.650 143 HZ3 TRP 30 HZ3 TRP 30 2.876 -0.864 6.738 144 HH2 TRP 30 HH2 TRP 30 2.710 -1.751 9.055 145 H GLN 31 H GLN 31 0.056 -5.919 4.705 146 HA GLN 31 HA GLN 31 2.735 -5.519 3.512 147 HB2 GLN 31 HB2 GLN 31 2.253 -5.842 5.990 148 HB3 GLN 31 HB3 GLN 31 1.915 -7.531 5.644 149 HG2 GLN 31 HG2 GLN 31 4.542 -6.149 4.909 150 HG3 GLN 31 HG3 GLN 31 4.264 -6.890 6.477 151 HE21 GLN 31 HE21 GLN 31 3.595 -9.274 6.434 152 HE22 GLN 31 HE22 GLN 31 4.514 -10.259 5.292 153 H ARG 32 H ARG 32 0.313 -8.151 3.813 154 HA ARG 32 HA ARG 32 2.009 -9.975 2.384 155 HB2 ARG 32 HB2 ARG 32 0.650 -10.590 4.267 156 HB3 ARG 32 HB3 ARG 32 -0.840 -10.309 3.390 157 HG2 ARG 32 HG2 ARG 32 1.153 -12.291 2.297 158 HG3 ARG 32 HG3 ARG 32 0.163 -12.721 3.688 159 HD2 ARG 32 HD2 ARG 32 -1.896 -12.360 2.494 160 HD3 ARG 32 HD3 ARG 32 -1.065 -11.731 1.078 161 HE ARG 32 HE ARG 32 -1.348 -14.528 1.897 162 HH11 ARG 32 HH11 ARG 32 0.513 -12.396 -0.205 163 HH12 ARG 32 HH12 ARG 32 0.943 -13.728 -1.270 164 HH21 ARG 32 HH21 ARG 32 -0.455 -16.156 0.682 165 HH22 ARG 32 HH22 ARG 32 0.649 -15.761 -0.586 166 H ASP 33 H ASP 33 -0.508 -7.953 0.959 167 HA ASP 33 HA ASP 33 -0.575 -9.775 -1.389 168 HB2 ASP 33 HB2 ASP 33 -2.651 -8.882 -0.132 169 HB3 ASP 33 HB3 ASP 33 -2.472 -7.439 -1.162 170 H CYS 34 H CYS 34 0.352 -6.358 -0.694 171 HA CYS 34 HA CYS 34 1.558 -6.324 -3.431 172 HB2 CYS 34 2HB CYS 34 0.664 -4.116 -3.833 173 HB3 CYS 34 3HB CYS 34 -0.602 -5.302 -3.639 174 H HIS 35 H HIS 35 3.603 -6.648 -2.532 175 HA HIS 35 HA HIS 35 4.514 -4.996 -0.343 176 HB2 HIS 35 2HB HIS 35 5.053 -7.452 -0.922 177 HB3 HIS 35 3HB HIS 35 6.257 -6.797 -2.027 178 HD1 HIS 35 1HD HIS 35 6.085 -8.134 1.269 179 HD2 HIS 35 2HD HIS 35 7.939 -4.779 -0.464 180 HE1 HIS 35 1HE HIS 35 7.999 -7.491 2.831 181 H TYR 36 H TYR 36 5.189 -4.932 -3.889 182 HA TYR 36 HA TYR 36 7.325 -3.001 -3.701 183 HB2 TYR 36 HB2 TYR 36 6.868 -4.450 -5.685 184 HB3 TYR 36 HB3 TYR 36 5.391 -3.522 -5.983 185 HD1 TYR 36 HD1 TYR 36 9.065 -2.876 -5.368 186 HD2 TYR 36 HD2 TYR 36 5.526 -1.840 -7.612 187 HE1 TYR 36 HE1 TYR 36 10.358 -1.166 -6.617 188 HE2 TYR 36 HE2 TYR 36 6.833 -0.144 -8.879 189 HH TYR 36 HH TYR 36 10.329 0.365 -8.308 190 H LEU 37 H LEU 37 3.801 -2.697 -3.854 191 HA LEU 37 HA LEU 37 3.797 0.183 -4.172 192 HB2 LEU 37 HB2 LEU 37 1.658 -1.792 -3.267 193 HB3 LEU 37 HB3 LEU 37 1.388 -0.073 -3.482 194 HG LEU 37 HG LEU 37 0.538 -1.193 -5.384 195 HD11 LEU 37 HD11 LEU 37 1.766 0.980 -5.771 196 HD12 LEU 37 HD12 LEU 37 1.637 -0.065 -7.199 197 HD13 LEU 37 HD13 LEU 37 3.168 0.024 -6.316 198 HD21 LEU 37 HD21 LEU 37 3.249 -2.331 -6.136 199 HD22 LEU 37 HD22 LEU 37 1.688 -2.585 -6.915 200 HD23 LEU 37 HD23 LEU 37 1.984 -3.268 -5.314 201 H LYS 38 H LYS 38 3.545 -1.961 -1.303 202 HA LYS 38 HA LYS 38 3.521 0.044 0.717 203 HB2 LYS 38 HB2 LYS 38 3.128 -1.999 1.654 204 HB3 LYS 38 HB3 LYS 38 4.070 -2.857 0.457 205 HG2 LYS 38 HG2 LYS 38 6.168 -2.297 1.651 206 HG3 LYS 38 HG3 LYS 38 5.217 -1.477 2.909 207 HD2 LYS 38 HD2 LYS 38 4.153 -3.572 3.535 208 HD3 LYS 38 HD3 LYS 38 4.813 -4.389 2.114 209 HE2 LYS 38 HE2 LYS 38 6.133 -5.108 3.949 210 HE3 LYS 38 HE3 LYS 38 7.133 -4.018 2.986 211 HZ1 LYS 38 HZ1 LYS 38 6.743 -2.284 4.612 212 HZ2 LYS 38 HZ2 LYS 38 7.299 -3.595 5.391 213 HZ3 LYS 38 HZ3 LYS 38 5.694 -3.226 5.470 214 H MET 39 H MET 39 6.293 -1.232 -1.085 215 HA MET 39 HA MET 39 8.268 0.350 0.347 216 HB2 MET 39 HB2 MET 39 8.914 -1.657 -0.759 217 HB3 MET 39 HB3 MET 39 8.255 -1.144 -2.301 218 HG2 MET 39 HG2 MET 39 10.582 0.292 -0.984 219 HG3 MET 39 HG3 MET 39 10.766 -1.124 -2.014 220 HE1 MET 39 HE1 MET 39 11.847 -0.617 -4.273 221 HE2 MET 39 HE2 MET 39 12.050 1.082 -4.753 222 HE3 MET 39 HE3 MET 39 12.543 0.548 -3.128 223 H SER 40 H SER 40 6.644 0.815 -2.841 224 HA SER 40 HA SER 40 8.013 3.222 -3.383 225 HB2 SER 40 HB2 SER 40 6.911 1.660 -5.007 226 HB3 SER 40 HB3 SER 40 5.354 2.406 -4.589 227 HG SER 40 HG SER 40 6.977 3.215 -6.386 228 H ILE 41 H ILE 41 4.798 2.809 -1.772 229 HA ILE 41 HA ILE 41 4.193 5.632 -1.732 230 HB ILE 41 HB ILE 41 2.634 5.127 0.078 231 HG12 ILE 41 HG12 ILE 41 2.320 2.462 0.406 232 HG13 ILE 41 HG13 ILE 41 4.063 2.491 0.217 233 HG21 ILE 41 HG21 ILE 41 1.189 3.561 -1.236 234 HG22 ILE 41 HG22 ILE 41 1.871 4.886 -2.171 235 HG23 ILE 41 HG23 ILE 41 2.548 3.245 -2.306 236 HD11 ILE 41 HD11 ILE 41 2.431 3.964 2.322 237 HD12 ILE 41 HD12 ILE 41 3.494 2.566 2.551 238 HD13 ILE 41 HD13 ILE 41 4.183 4.138 2.138 239 H ALA 42 H ALA 42 6.373 3.675 0.223 240 HA ALA 42 HA ALA 42 6.740 5.732 2.274 241 HB1 ALA 42 HB1 ALA 42 8.200 3.106 1.778 242 HB2 ALA 42 HB2 ALA 42 8.333 4.136 3.218 243 HB3 ALA 42 HB3 ALA 42 6.794 3.343 2.837 244 H GLN 43 H GLN 43 8.518 4.603 -0.652 245 HA GLN 43 HA GLN 43 10.676 6.497 -0.274 246 HB2 GLN 43 HB2 GLN 43 9.588 5.216 -2.817 247 HB3 GLN 43 HB3 GLN 43 10.979 6.307 -2.745 248 HG2 GLN 43 HG2 GLN 43 11.933 4.673 -0.950 249 HG3 GLN 43 HG3 GLN 43 10.732 3.527 -1.543 250 HE21 GLN 43 HE21 GLN 43 13.239 2.636 -1.777 251 HE22 GLN 43 HE22 GLN 43 13.877 2.862 -3.405 252 H CYS 44 H CYS 44 7.375 6.910 -1.569 253 HA CYS 44 HA CYS 44 7.749 9.560 -2.548 254 HB2 CYS 44 2HB CYS 44 5.778 8.277 -3.040 255 HB3 CYS 44 3HB CYS 44 5.291 8.240 -1.347 256 H THR 45 H THR 45 6.672 8.546 0.777 257 HA THR 45 HA THR 45 6.849 11.215 1.822 258 HB THR 45 HB THR 45 6.876 10.002 4.077 259 HG1 THR 45 HG1 THR 45 7.576 7.987 3.627 260 HG21 THR 45 HG21 THR 45 4.649 9.322 2.108 261 HG22 THR 45 HG22 THR 45 4.824 10.858 2.981 262 HG23 THR 45 HG23 THR 45 4.524 9.361 3.881 263 H SER 46 H SER 46 9.307 8.707 1.447 264 HA SER 46 HA SER 46 11.312 9.983 3.080 265 HB2 SER 46 HB2 SER 46 11.657 8.002 0.816 266 HB3 SER 46 HB3 SER 46 12.889 8.471 1.991 267 HG SER 46 HG SER 46 10.416 7.171 2.548 268 H SER 47 H SER 47 10.420 10.473 -0.325 269 HA SER 47 HA SER 47 13.046 11.528 -0.998 270 HB2 SER 47 HB2 SER 47 10.514 11.405 -2.656 271 HB3 SER 47 HB3 SER 47 12.125 11.852 -3.246 272 HG SER 47 HG SER 47 11.182 9.385 -2.250 273 H HIS 48 H HIS 48 10.116 13.164 0.094 274 HA HIS 48 HA HIS 48 10.704 15.630 -1.182 275 HB2 HIS 48 2HB HIS 48 9.018 16.632 -0.052 276 HB3 HIS 48 3HB HIS 48 8.495 14.970 -0.211 277 HD1 HIS 48 1HD HIS 48 8.242 13.590 2.168 278 HD2 HIS 48 2HD HIS 48 9.327 17.657 2.379 279 HE1 HIS 48 1HE HIS 48 7.880 14.310 4.581 280 HA PRO 49 HA PRO 49 13.643 16.976 2.228 281 HB2 PRO 49 HB2 PRO 49 14.493 15.426 4.263 282 HB3 PRO 49 HB3 PRO 49 12.864 16.156 4.292 283 HG2 PRO 49 HG2 PRO 49 13.601 13.366 3.327 284 HG3 PRO 49 HG3 PRO 49 12.406 13.798 4.596 285 HD2 PRO 49 HD2 PRO 49 11.637 13.406 2.034 286 HD3 PRO 49 HD3 PRO 49 10.936 14.701 3.039 287 H ILE 50 H ILE 50 13.925 14.662 0.010 288 HA ILE 50 HA ILE 50 15.435 13.389 -0.994 289 HB ILE 50 HB ILE 50 15.946 15.715 -1.620 290 HG12 ILE 50 HG12 ILE 50 18.383 13.940 -1.942 291 HG13 ILE 50 HG13 ILE 50 16.851 13.648 -2.769 292 HG21 ILE 50 HG21 ILE 50 18.181 16.679 -1.012 293 HG22 ILE 50 HG22 ILE 50 17.053 16.628 0.322 294 HG23 ILE 50 HG23 ILE 50 18.354 15.416 0.217 295 HD11 ILE 50 HD11 ILE 50 18.698 16.037 -3.092 296 HD12 ILE 50 HD12 ILE 50 18.215 14.842 -4.302 297 HD13 ILE 50 HD13 ILE 50 17.030 16.010 -3.705 298 H ILE 51 H ILE 51 15.385 12.906 1.964 299 HA ILE 51 HA ILE 51 18.067 12.582 2.780 300 HB ILE 51 HB ILE 51 16.138 13.069 4.274 301 HG12 ILE 51 HG12 ILE 51 16.897 11.818 6.221 302 HG13 ILE 51 HG13 ILE 51 17.772 10.672 5.213 303 HG21 ILE 51 HG21 ILE 51 14.732 11.308 5.155 304 HG22 ILE 51 HG22 ILE 51 14.581 11.286 3.396 305 HG23 ILE 51 HG23 ILE 51 15.575 10.068 4.208 306 HD11 ILE 51 HD11 ILE 51 19.357 12.417 4.530 307 HD12 ILE 51 HD12 ILE 51 18.391 13.659 5.365 308 HD13 ILE 51 HD13 ILE 51 19.229 12.394 6.289 309 H ARG 52 H ARG 52 15.966 10.241 1.206 310 HA ARG 52 HA ARG 52 17.499 7.905 1.989 311 HB2 ARG 52 HB2 ARG 52 15.091 8.078 0.959 312 HB3 ARG 52 HB3 ARG 52 15.921 8.099 -0.586 313 HG2 ARG 52 HG2 ARG 52 15.842 5.901 1.509 314 HG3 ARG 52 HG3 ARG 52 15.247 5.860 -0.150 315 HD2 ARG 52 HD2 ARG 52 17.732 6.087 -0.872 316 HD3 ARG 52 HD3 ARG 52 18.121 5.779 0.826 317 HE ARG 52 HE ARG 52 17.670 3.573 0.563 318 HH11 ARG 52 HH11 ARG 52 16.596 5.190 -2.398 319 HH12 ARG 52 HH12 ARG 52 16.104 3.655 -3.097 320 HH21 ARG 52 HH21 ARG 52 16.931 1.711 -0.416 321 HH22 ARG 52 HH22 ARG 52 16.365 1.778 -2.055 322 H GLN 53 H GLN 53 17.620 10.065 -0.874 323 HA GLN 53 HA GLN 53 19.736 8.743 -2.196 324 HB2 GLN 53 HB2 GLN 53 18.196 10.370 -3.170 325 HB3 GLN 53 HB3 GLN 53 18.916 11.672 -2.235 326 HG2 GLN 53 HG2 GLN 53 20.703 10.026 -4.041 327 HG3 GLN 53 HG3 GLN 53 19.564 11.143 -4.778 328 HE21 GLN 53 HE21 GLN 53 19.638 13.465 -3.982 329 HE22 GLN 53 HE22 GLN 53 21.195 14.116 -3.500 330 H ILE 54 H ILE 54 19.882 11.120 0.422 331 HA ILE 54 HA ILE 54 22.792 11.323 0.488 332 HB ILE 54 HB ILE 54 20.625 12.025 2.503 333 HG12 ILE 54 HG12 ILE 54 22.287 13.844 0.702 334 HG13 ILE 54 HG13 ILE 54 20.646 13.327 0.328 335 HG21 ILE 54 HG21 ILE 54 22.777 11.631 3.690 336 HG22 ILE 54 HG22 ILE 54 23.586 12.762 2.581 337 HG23 ILE 54 HG23 ILE 54 22.342 13.324 3.716 338 HD11 ILE 54 HD11 ILE 54 21.462 15.079 2.675 339 HD12 ILE 54 HD12 ILE 54 20.552 15.541 1.235 340 HD13 ILE 54 HD13 ILE 54 19.824 14.425 2.411 341 H ARG 55 H ARG 55 20.374 9.460 2.372 342 HA ARG 55 HA ARG 55 22.152 8.223 4.185 343 HB2 ARG 55 HB2 ARG 55 19.750 8.420 4.537 344 HB3 ARG 55 HB3 ARG 55 19.419 7.390 3.142 345 HG2 ARG 55 HG2 ARG 55 20.432 5.453 4.317 346 HG3 ARG 55 HG3 ARG 55 20.761 6.483 5.728 347 HD2 ARG 55 HD2 ARG 55 18.375 6.878 6.051 348 HD3 ARG 55 HD3 ARG 55 17.994 6.078 4.517 349 HE ARG 55 HE ARG 55 19.399 4.339 6.396 350 HH11 ARG 55 HH11 ARG 55 16.197 5.584 5.664 351 HH12 ARG 55 HH12 ARG 55 15.394 4.176 6.295 352 HH21 ARG 55 HH21 ARG 55 18.287 2.538 7.229 353 HH22 ARG 55 HH22 ARG 55 16.560 2.438 6.975 354 H GLN 56 H GLN 56 20.961 6.953 1.051 355 HA GLN 56 HA GLN 56 22.029 4.357 1.344 356 HB2 GLN 56 HB2 GLN 56 21.549 3.987 -0.945 357 HB3 GLN 56 HB3 GLN 56 20.266 4.967 -0.244 358 HG2 GLN 56 HG2 GLN 56 21.343 7.002 -1.276 359 HG3 GLN 56 HG3 GLN 56 22.515 5.948 -2.059 360 HE21 GLN 56 HE21 GLN 56 21.098 7.543 -3.708 361 HE22 GLN 56 HE22 GLN 56 19.759 6.701 -4.470 362 H ALA 57 H ALA 57 23.823 7.235 0.681 363 HA ALA 57 HA ALA 57 26.087 6.177 -0.666 364 HB1 ALA 57 HB1 ALA 57 27.180 8.187 0.234 365 HB2 ALA 57 HB2 ALA 57 25.542 8.585 -0.308 366 HB3 ALA 57 HB3 ALA 57 25.888 8.392 1.425 367 H CYS 58 H CYS 58 25.192 6.046 2.788 368 HA CYS 58 HA CYS 58 27.117 3.910 3.237 369 HB2 CYS 58 2HB CYS 58 28.367 4.944 5.011 370 HB3 CYS 58 3HB CYS 58 28.565 5.861 3.536 371 H ALA 59 H ALA 59 24.644 3.303 3.262 372 HA ALA 59 HA ALA 59 23.071 4.078 5.545 373 HB1 ALA 59 HB1 ALA 59 22.750 1.850 3.495 374 HB2 ALA 59 HB2 ALA 59 21.511 2.342 4.673 375 HB3 ALA 59 HB3 ALA 59 22.046 3.481 3.428 376 H GLN 60 H GLN 60 25.009 1.117 4.871 377 HA GLN 60 HA GLN 60 24.251 -0.340 7.200 378 HB2 GLN 60 HB2 GLN 60 26.524 -0.482 5.244 379 HB3 GLN 60 HB3 GLN 60 26.835 -1.152 6.831 380 HG2 GLN 60 HG2 GLN 60 26.115 -2.959 5.560 381 HG3 GLN 60 HG3 GLN 60 24.779 -2.572 6.636 382 HE21 GLN 60 HE21 GLN 60 25.982 -1.979 3.265 383 HE22 GLN 60 HE22 GLN 60 24.366 -1.998 2.569 384 HA PRO 61 HA PRO 61 28.007 1.227 9.615 385 HB2 PRO 61 HB2 PRO 61 29.337 3.551 8.952 386 HB3 PRO 61 HB3 PRO 61 29.788 1.916 8.372 387 HG2 PRO 61 HG2 PRO 61 28.066 3.977 6.977 388 HG3 PRO 61 HG3 PRO 61 29.464 3.073 6.302 389 HD2 PRO 61 HD2 PRO 61 26.965 2.229 5.820 390 HD3 PRO 61 HD3 PRO 61 28.218 1.036 6.256 391 H PHE 62 H PHE 62 25.853 3.800 8.273 392 HA PHE 62 HA PHE 62 25.809 5.360 10.672 393 HB2 PHE 62 HB2 PHE 62 24.876 5.988 8.387 394 HB3 PHE 62 HB3 PHE 62 23.474 4.996 8.754 395 HD1 PHE 62 HD2 PHE 62 22.253 5.582 11.110 396 HD2 PHE 62 HD1 PHE 62 24.870 8.247 8.946 397 HE1 PHE 62 HE2 PHE 62 21.368 7.504 12.396 398 HE2 PHE 62 HE1 PHE 62 23.944 10.168 10.207 399 HZ PHE 62 HZ PHE 62 22.205 9.803 11.944 400 H GLU 63 H GLU 63 23.644 2.665 9.632 401 HA GLU 63 HA GLU 63 22.283 2.651 12.220 402 HB2 GLU 63 HB2 GLU 63 22.210 0.853 9.780 403 HB3 GLU 63 HB3 GLU 63 21.358 0.438 11.279 404 HG2 GLU 63 HG2 GLU 63 20.111 2.531 11.239 405 HG3 GLU 63 HG3 GLU 63 20.992 3.085 9.826 406 H ALA 64 H ALA 64 25.224 1.065 11.032 407 HA ALA 64 HA ALA 64 25.246 -1.015 13.041 408 HB1 ALA 64 HB1 ALA 64 27.590 -1.276 12.366 409 HB2 ALA 64 HB2 ALA 64 26.582 -1.071 10.922 410 HB3 ALA 64 HB3 ALA 64 27.563 0.284 11.541 411 H PHE 65 H PHE 65 26.405 2.346 13.099 412 HA PHE 65 HA PHE 65 27.403 1.871 15.868 413 HB2 PHE 65 HB2 PHE 65 27.971 4.217 14.066 414 HB3 PHE 65 HB3 PHE 65 28.769 3.810 15.589 415 HD1 PHE 65 HD1 PHE 65 29.507 1.062 15.521 416 HD2 PHE 65 HD2 PHE 65 29.307 3.775 12.181 417 HE1 PHE 65 HE1 PHE 65 30.953 -0.455 14.210 418 HE2 PHE 65 HE2 PHE 65 30.713 2.221 10.856 419 HZ PHE 65 HZ PHE 65 31.555 0.114 11.870 420 H GLU 66 H GLU 66 24.744 3.558 14.269 421 HA GLU 66 HA GLU 66 23.892 4.710 16.818 422 HB2 GLU 66 HB2 GLU 66 23.052 5.452 14.595 423 HB3 GLU 66 HB3 GLU 66 22.183 3.916 14.428 424 HG2 GLU 66 HG2 GLU 66 20.764 4.433 16.308 425 HG3 GLU 66 HG3 GLU 66 21.821 5.748 16.836 426 H GLU 67 H GLU 67 23.502 1.475 15.251 427 HA GLU 67 HA GLU 67 21.904 0.465 17.367 428 HB2 GLU 67 HB2 GLU 67 21.871 -0.482 15.160 429 HB3 GLU 67 HB3 GLU 67 23.521 -1.114 15.362 430 HG2 GLU 67 HG2 GLU 67 22.800 -2.748 16.901 431 HG3 GLU 67 HG3 GLU 67 21.334 -1.854 17.318 432 H CYS 68 H CYS 68 25.346 1.001 17.328 433 HA CYS 68 HA CYS 68 26.075 -0.569 19.618 434 HB2 CYS 68 2HB CYS 68 26.894 2.275 18.938 435 HB3 CYS 68 3HB CYS 68 27.584 1.292 20.212 436 H LEU 69 H LEU 69 24.679 2.800 19.618 437 HA LEU 69 HA LEU 69 24.011 2.646 22.396 438 HB2 LEU 69 HB2 LEU 69 23.294 4.605 20.178 439 HB3 LEU 69 HB3 LEU 69 22.697 4.766 21.821 440 HG LEU 69 HG LEU 69 25.037 4.929 22.676 441 HD11 LEU 69 HD11 LEU 69 26.411 3.895 21.013 442 HD12 LEU 69 HD12 LEU 69 26.798 5.609 20.976 443 HD13 LEU 69 HD13 LEU 69 25.737 4.924 19.723 444 HD21 LEU 69 HD21 LEU 69 24.167 6.940 20.566 445 HD22 LEU 69 HD22 LEU 69 25.375 7.244 21.836 446 HD23 LEU 69 HD23 LEU 69 23.689 6.922 22.270 447 H ARG 70 H ARG 70 22.090 1.810 19.511 448 HA ARG 70 HA ARG 70 19.584 1.625 20.879 449 HB2 ARG 70 HB2 ARG 70 20.157 1.376 18.398 450 HB3 ARG 70 HB3 ARG 70 20.515 -0.312 18.767 451 HG2 ARG 70 HG2 ARG 70 17.835 1.010 19.380 452 HG3 ARG 70 HG3 ARG 70 18.196 0.370 17.790 453 HD2 ARG 70 HD2 ARG 70 18.102 -1.293 20.318 454 HD3 ARG 70 HD3 ARG 70 16.821 -1.143 19.130 455 HE ARG 70 HE ARG 70 18.854 -2.007 17.551 456 HH11 ARG 70 HH11 ARG 70 17.693 -3.359 20.627 457 HH12 ARG 70 HH12 ARG 70 17.855 -4.988 19.972 458 HH21 ARG 70 HH21 ARG 70 19.120 -4.098 16.971 459 HH22 ARG 70 HH22 ARG 70 18.569 -5.384 18.072 460 H GLN 71 H GLN 71 22.317 -0.648 20.892 461 HA GLN 71 HA GLN 71 20.777 -2.482 22.664 462 HB2 GLN 71 HB2 GLN 71 23.411 -2.917 21.227 463 HB3 GLN 71 HB3 GLN 71 22.494 -4.118 22.144 464 HG2 GLN 71 HG2 GLN 71 20.577 -3.818 20.561 465 HG3 GLN 71 HG3 GLN 71 21.578 -2.756 19.573 466 HE21 GLN 71 HE21 GLN 71 20.905 -6.081 20.425 467 HE22 GLN 71 HE22 GLN 71 22.099 -6.788 19.317 468 H ASN 72 H ASN 72 23.720 -0.503 22.767 469 HA ASN 72 HA ASN 72 24.094 -1.057 25.661 470 HB2 ASN 72 HB2 ASN 72 26.247 -1.261 23.503 471 HB3 ASN 72 HB3 ASN 72 26.523 -1.326 25.222 472 HD21 ASN 72 HD21 ASN 72 25.917 -3.144 26.472 473 HD22 ASN 72 HD22 ASN 72 25.790 -4.690 25.644 474 H GLU 73 H GLU 73 22.929 1.265 25.034 475 HA GLU 73 HA GLU 73 24.553 3.461 24.294 476 HB2 GLU 73 HB2 GLU 73 21.994 3.323 24.657 477 HB3 GLU 73 HB3 GLU 73 22.296 3.555 26.368 478 HG2 GLU 73 HG2 GLU 73 23.254 5.754 25.939 479 HG3 GLU 73 HG3 GLU 73 23.269 5.457 24.207 480 H ALA 74 H ALA 74 24.660 1.595 27.185 481 HA ALA 74 HA ALA 74 25.941 3.640 28.889 482 HB1 ALA 74 HB1 ALA 74 24.139 2.250 29.764 483 HB2 ALA 74 HB2 ALA 74 25.044 0.771 29.362 484 HB3 ALA 74 HB3 ALA 74 25.663 1.886 30.603 485 H ALA 75 H ALA 75 26.990 1.153 26.709 486 HA ALA 75 HA ALA 75 29.620 0.913 28.087 487 HB1 ALA 75 HB1 ALA 75 29.935 -1.194 27.029 488 HB2 ALA 75 HB2 ALA 75 28.325 -1.218 27.761 489 HB3 ALA 75 HB3 ALA 75 28.510 -0.988 26.007 490 H VAL 76 H VAL 76 29.433 3.267 26.926 491 HA VAL 76 HA VAL 76 29.931 3.256 24.105 492 HB VAL 76 HB VAL 76 30.240 5.429 26.219 493 HG11 VAL 76 HG11 VAL 76 30.342 5.766 23.198 494 HG12 VAL 76 HG12 VAL 76 30.196 7.084 24.382 495 HG13 VAL 76 HG13 VAL 76 31.666 6.111 24.339 496 HG21 VAL 76 HG21 VAL 76 28.136 6.269 25.182 497 HG22 VAL 76 HG22 VAL 76 28.128 4.875 24.088 498 HG23 VAL 76 HG23 VAL 76 27.934 4.638 25.837 499 H GLY 77 H GLY 77 32.080 2.716 26.772 500 HA2 GLY 77 HA2 GLY 77 34.637 3.173 25.639 501 HA3 GLY 77 HA3 GLY 77 34.211 1.887 26.770 502 H ASN 78 H ASN 78 32.194 0.829 24.655 503 HA ASN 78 HA ASN 78 34.071 -0.843 23.102 504 HB2 ASN 78 HB2 ASN 78 31.028 -0.786 23.227 505 HB3 ASN 78 HB3 ASN 78 31.999 -2.007 22.426 506 HD21 ASN 78 HD21 ASN 78 30.119 -2.788 24.182 507 HD22 ASN 78 HD22 ASN 78 30.896 -3.429 25.643 508 H CYS 79 H CYS 79 31.849 1.878 22.524 509 HA CYS 79 HA CYS 79 32.613 2.290 19.746 510 HB2 CYS 79 2HB CYS 79 31.153 0.302 19.555 511 HB3 CYS 79 3HB CYS 79 29.926 1.099 20.532 512 H ALA 80 H ALA 80 32.168 4.436 19.206 513 HA ALA 80 HA ALA 80 30.034 5.909 20.692 514 HB1 ALA 80 HB1 ALA 80 32.816 6.931 19.993 515 HB2 ALA 80 HB2 ALA 80 31.514 7.859 20.768 516 HB3 ALA 80 HB3 ALA 80 32.247 6.483 21.618 517 H GLU 81 H GLU 81 28.672 7.138 19.441 518 HA GLU 81 HA GLU 81 28.752 6.095 16.766 519 HB2 GLU 81 HB2 GLU 81 26.466 6.686 16.510 520 HB3 GLU 81 HB3 GLU 81 26.816 5.854 18.005 521 HG2 GLU 81 HG2 GLU 81 25.204 7.376 18.600 522 HG3 GLU 81 HG3 GLU 81 26.692 8.085 19.213 523 H HIS 82 H HIS 82 28.755 9.624 17.724 524 HA HIS 82 HA HIS 82 28.739 10.461 14.962 525 HB2 HIS 82 2HB HIS 82 29.387 11.778 17.564 526 HB3 HIS 82 3HB HIS 82 30.211 12.425 16.164 527 HD1 HIS 82 1HD HIS 82 26.529 11.714 17.159 528 HD2 HIS 82 2HD HIS 82 28.959 14.208 14.801 529 HE1 HIS 82 1HE HIS 82 25.005 13.567 16.264 530 H MET 83 H MET 83 31.516 9.922 17.209 531 HA MET 83 HA MET 83 33.463 10.596 15.285 532 HB2 MET 83 HB2 MET 83 33.735 10.468 17.767 533 HB3 MET 83 HB3 MET 83 33.838 8.708 17.648 534 HG2 MET 83 HG2 MET 83 35.844 8.856 16.303 535 HG3 MET 83 HG3 MET 83 35.660 10.599 16.100 536 HE1 MET 83 HE1 MET 83 36.223 12.402 17.769 537 HE2 MET 83 HE2 MET 83 35.085 11.804 18.999 538 HE3 MET 83 HE3 MET 83 36.768 12.141 19.437 539 H ARG 84 H ARG 84 32.160 7.314 16.040 540 HA ARG 84 HA ARG 84 33.911 6.045 14.084 541 HB2 ARG 84 HB2 ARG 84 33.092 5.033 16.203 542 HB3 ARG 84 HB3 ARG 84 31.481 4.884 15.497 543 HG2 ARG 84 HG2 ARG 84 32.114 3.148 14.087 544 HG3 ARG 84 HG3 ARG 84 33.796 3.672 13.984 545 HD2 ARG 84 HD2 ARG 84 34.295 2.875 16.212 546 HD3 ARG 84 HD3 ARG 84 32.588 2.640 16.575 547 HE ARG 84 HE ARG 84 32.760 0.518 15.803 548 HH11 ARG 84 HH11 ARG 84 35.474 2.154 14.210 549 HH12 ARG 84 HH12 ARG 84 35.975 0.626 13.511 550 HH21 ARG 84 HH21 ARG 84 33.529 -1.223 14.988 551 HH22 ARG 84 HH22 ARG 84 34.834 -1.261 13.829 552 H ARG 85 H ARG 85 30.527 7.254 13.913 553 HA ARG 85 HA ARG 85 30.064 6.329 11.193 554 HB2 ARG 85 HB2 ARG 85 28.956 8.712 12.751 555 HB3 ARG 85 HB3 ARG 85 28.549 8.366 11.077 556 HG2 ARG 85 HG2 ARG 85 27.722 6.114 11.728 557 HG3 ARG 85 HG3 ARG 85 27.936 6.527 13.422 558 HD2 ARG 85 HD2 ARG 85 26.178 8.034 11.433 559 HD3 ARG 85 HD3 ARG 85 25.600 6.827 12.569 560 HE ARG 85 HE ARG 85 25.996 8.308 14.415 561 HH11 ARG 85 HH11 ARG 85 26.441 10.087 11.340 562 HH12 ARG 85 HH12 ARG 85 25.967 11.564 12.168 563 HH21 ARG 85 HH21 ARG 85 25.319 10.168 15.171 564 HH22 ARG 85 HH22 ARG 85 25.129 11.565 14.115 565 H PHE 86 H PHE 86 31.456 9.405 12.432 566 HA PHE 86 HA PHE 86 31.894 10.512 9.850 567 HB2 PHE 86 HB2 PHE 86 33.009 11.080 12.618 568 HB3 PHE 86 HB3 PHE 86 33.656 11.906 11.224 569 HD1 PHE 86 HD1 PHE 86 30.001 11.134 11.931 570 HD2 PHE 86 HD2 PHE 86 33.098 14.118 11.559 571 HE1 PHE 86 HE1 PHE 86 28.322 12.912 12.175 572 HE2 PHE 86 HE2 PHE 86 31.398 15.901 11.796 573 HZ PHE 86 HZ PHE 86 29.004 15.308 12.123 574 H LEU 87 H LEU 87 33.807 8.133 11.510 575 HA LEU 87 HA LEU 87 35.978 8.341 9.519 576 HB2 LEU 87 HB2 LEU 87 36.205 7.666 12.004 577 HB3 LEU 87 HB3 LEU 87 35.485 6.136 11.561 578 HG LEU 87 HG LEU 87 37.869 5.948 11.736 579 HD11 LEU 87 HD11 LEU 87 36.725 4.664 9.892 580 HD12 LEU 87 HD12 LEU 87 38.468 4.912 9.690 581 HD13 LEU 87 HD13 LEU 87 37.330 5.886 8.751 582 HD21 LEU 87 HD21 LEU 87 39.469 7.156 10.391 583 HD22 LEU 87 HD22 LEU 87 38.463 8.317 11.270 584 HD23 LEU 87 HD23 LEU 87 38.186 8.028 9.536 585 H GLN 88 H GLN 88 33.467 5.894 10.367 586 HA GLN 88 HA GLN 88 34.171 4.273 8.122 587 HB2 GLN 88 HB2 GLN 88 31.873 4.128 10.084 588 HB3 GLN 88 HB3 GLN 88 32.200 2.891 8.873 589 HG2 GLN 88 HG2 GLN 88 34.191 3.741 11.032 590 HG3 GLN 88 HG3 GLN 88 33.149 2.335 11.135 591 HE21 GLN 88 HE21 GLN 88 36.236 2.623 10.956 592 HE22 GLN 88 HE22 GLN 88 36.656 1.739 9.506 593 H CYS 89 H CYS 89 31.892 6.933 8.202 594 HA CYS 89 HA CYS 89 30.718 6.089 5.602 595 HB2 CYS 89 2HB CYS 89 30.305 8.387 7.501 596 HB3 CYS 89 3HB CYS 89 29.815 8.542 5.829 597 H ALA 90 H ALA 90 33.150 8.487 6.816 598 HA ALA 90 HA ALA 90 33.522 9.686 4.223 599 HB1 ALA 90 HB1 ALA 90 33.993 10.878 6.338 600 HB2 ALA 90 HB2 ALA 90 35.282 9.711 6.723 601 HB3 ALA 90 HB3 ALA 90 35.442 10.805 5.334 602 H GLU 91 H GLU 91 34.831 6.798 5.614 603 HA GLU 91 HA GLU 91 36.814 6.518 3.450 604 HB2 GLU 91 HB2 GLU 91 37.588 4.614 4.607 605 HB3 GLU 91 HB3 GLU 91 37.281 5.861 5.793 606 HG2 GLU 91 HG2 GLU 91 36.322 4.133 6.913 607 HG3 GLU 91 HG3 GLU 91 34.907 4.621 5.988 608 H GLN 92 H GLN 92 33.473 5.706 3.884 609 HA GLN 92 HA GLN 92 33.530 3.524 1.904 610 HB2 GLN 92 HB2 GLN 92 32.104 3.439 3.950 611 HB3 GLN 92 HB3 GLN 92 31.123 4.761 3.313 612 HG2 GLN 92 HG2 GLN 92 30.417 3.428 1.427 613 HG3 GLN 92 HG3 GLN 92 31.620 2.179 1.772 614 HE21 GLN 92 HE21 GLN 92 31.206 1.444 4.401 615 HE22 GLN 92 HE22 GLN 92 29.615 0.705 4.423 616 H VAL 93 H VAL 93 32.778 6.950 2.011 617 HA VAL 93 HA VAL 93 32.507 6.955 -0.939 618 HB VAL 93 HB VAL 93 30.827 8.858 -0.655 619 HG11 VAL 93 HG11 VAL 93 30.359 6.645 -1.658 620 HG12 VAL 93 HG12 VAL 93 29.932 6.021 -0.051 621 HG13 VAL 93 HG13 VAL 93 28.962 7.303 -0.805 622 HG21 VAL 93 HG21 VAL 93 29.305 8.812 1.209 623 HG22 VAL 93 HG22 VAL 93 30.189 7.477 1.976 624 HG23 VAL 93 HG23 VAL 93 30.942 9.083 1.820 Start of MODEL 10 1 H TYR 11 H TYR 11 1.581 15.562 -0.024 2 HA TYR 11 HA TYR 11 3.120 13.176 -0.483 3 HB2 TYR 11 HB2 TYR 11 1.547 12.091 0.793 4 HB3 TYR 11 HB3 TYR 11 1.454 13.717 1.423 5 HD1 TYR 11 HD2 TYR 11 -0.444 15.238 0.064 6 HD2 TYR 11 HD1 TYR 11 -0.446 10.941 0.497 7 HE1 TYR 11 HE2 TYR 11 -2.904 15.204 -0.261 8 HE2 TYR 11 HE1 TYR 11 -2.924 10.928 0.254 9 HH TYR 11 HH TYR 11 -4.822 12.253 0.216 10 H CYS 12 H CYS 12 2.297 11.173 -1.557 11 HA CYS 12 HA CYS 12 0.957 11.795 -4.159 12 HB2 CYS 12 2HB CYS 12 1.950 9.600 -4.835 13 HB3 CYS 12 3HB CYS 12 3.095 10.882 -4.493 14 H GLY 13 H GLY 13 -1.085 11.176 -4.516 15 HA2 GLY 13 HA2 GLY 13 -2.704 10.263 -2.381 16 HA3 GLY 13 HA3 GLY 13 -3.210 10.447 -4.065 17 H ARG 14 H ARG 14 -1.329 8.378 -5.040 18 HA ARG 14 HA ARG 14 -2.798 5.965 -4.505 19 HB2 ARG 14 HB2 ARG 14 -1.552 4.904 -6.050 20 HB3 ARG 14 HB3 ARG 14 -1.523 6.560 -6.621 21 HG2 ARG 14 HG2 ARG 14 0.714 5.048 -5.216 22 HG3 ARG 14 HG3 ARG 14 0.613 5.480 -6.907 23 HD2 ARG 14 HD2 ARG 14 0.410 7.960 -5.662 24 HD3 ARG 14 HD3 ARG 14 1.472 7.082 -4.571 25 HE ARG 14 HE ARG 14 2.943 6.630 -6.534 26 HH11 ARG 14 HH11 ARG 14 0.478 9.004 -7.361 27 HH12 ARG 14 HH12 ARG 14 1.446 9.637 -8.655 28 HH21 ARG 14 HH21 ARG 14 4.169 7.591 -8.000 29 HH22 ARG 14 HH22 ARG 14 3.523 8.845 -9.021 30 H GLU 15 H GLU 15 -0.397 7.395 -2.482 31 HA GLU 15 HA GLU 15 0.364 4.843 -1.363 32 HB2 GLU 15 HB2 GLU 15 1.789 5.928 -0.055 33 HB3 GLU 15 HB3 GLU 15 1.518 7.261 -1.149 34 HG2 GLU 15 HG2 GLU 15 -0.144 8.224 0.441 35 HG3 GLU 15 HG3 GLU 15 0.106 6.862 1.532 36 H LEU 16 H LEU 16 -2.379 6.954 -0.817 37 HA LEU 16 HA LEU 16 -3.361 5.197 1.339 38 HB2 LEU 16 HB2 LEU 16 -3.942 7.599 1.361 39 HB3 LEU 16 HB3 LEU 16 -4.693 7.455 -0.228 40 HG LEU 16 HG LEU 16 -6.430 5.955 0.695 41 HD11 LEU 16 HD11 LEU 16 -5.224 4.894 2.545 42 HD12 LEU 16 HD12 LEU 16 -6.657 5.713 3.155 43 HD13 LEU 16 HD13 LEU 16 -5.051 6.460 3.371 44 HD21 LEU 16 HD21 LEU 16 -6.097 8.516 2.310 45 HD22 LEU 16 HD22 LEU 16 -7.610 7.614 2.056 46 HD23 LEU 16 HD23 LEU 16 -6.814 8.385 0.684 47 H GLU 17 H GLU 17 -4.188 5.792 -2.118 48 HA GLU 17 HA GLU 17 -6.312 3.920 -2.125 49 HB2 GLU 17 HB2 GLU 17 -5.848 5.723 -3.812 50 HB3 GLU 17 HB3 GLU 17 -4.613 4.691 -4.530 51 HG2 GLU 17 HG2 GLU 17 -6.289 2.985 -5.066 52 HG3 GLU 17 HG3 GLU 17 -7.537 3.887 -4.204 53 H GLN 18 H GLN 18 -2.849 3.313 -3.030 54 HA GLN 18 HA GLN 18 -3.523 0.627 -3.904 55 HB2 GLN 18 HB2 GLN 18 -1.749 2.081 -4.889 56 HB3 GLN 18 HB3 GLN 18 -0.773 1.831 -3.443 57 HG2 GLN 18 HG2 GLN 18 -0.543 -0.524 -3.884 58 HG3 GLN 18 HG3 GLN 18 -1.847 -0.492 -5.078 59 HE21 GLN 18 HE21 GLN 18 -1.461 0.911 -7.065 60 HE22 GLN 18 HE22 GLN 18 0.189 0.826 -7.718 61 H TYR 19 H TYR 19 -2.486 2.010 -0.797 62 HA TYR 19 HA TYR 19 -2.035 -0.656 0.370 63 HB2 TYR 19 HB2 TYR 19 -0.854 1.291 1.278 64 HB3 TYR 19 HB3 TYR 19 -2.390 2.074 1.656 65 HD1 TYR 19 HD1 TYR 19 -0.659 -1.236 2.230 66 HD2 TYR 19 HD2 TYR 19 -3.159 1.877 3.877 67 HE1 TYR 19 HE1 TYR 19 -0.779 -2.467 4.387 68 HE2 TYR 19 HE2 TYR 19 -3.259 0.650 6.038 69 HH TYR 19 HH TYR 19 -2.664 -1.253 7.180 70 H GLY 20 H GLY 20 -4.697 1.743 0.236 71 HA2 GLY 20 HA2 GLY 20 -6.627 0.507 1.837 72 HA3 GLY 20 HA3 GLY 20 -6.952 1.479 0.394 73 H GLN 21 H GLN 21 -5.914 -0.098 -1.632 74 HA GLN 21 HA GLN 21 -7.780 -2.208 -2.080 75 HB2 GLN 21 HB2 GLN 21 -5.119 -1.401 -3.300 76 HB3 GLN 21 HB3 GLN 21 -5.959 -2.844 -3.865 77 HG2 GLN 21 HG2 GLN 21 -7.973 -1.417 -4.368 78 HG3 GLN 21 HG3 GLN 21 -7.106 0.008 -3.812 79 HE21 GLN 21 HE21 GLN 21 -7.300 -2.429 -6.403 80 HE22 GLN 21 HE22 GLN 21 -6.338 -1.483 -7.548 81 H CYS 22 H CYS 22 -4.531 -2.360 -0.590 82 HA CYS 22 HA CYS 22 -4.422 -5.268 -0.653 83 HB2 CYS 22 2HB CYS 22 -2.818 -3.196 0.893 84 HB3 CYS 22 3HB CYS 22 -2.445 -4.910 0.825 85 H VAL 23 H VAL 23 -5.100 -2.871 1.976 86 HA VAL 23 HA VAL 23 -5.604 -5.014 3.872 87 HB VAL 23 HB VAL 23 -4.642 -2.795 4.435 88 HG11 VAL 23 HG11 VAL 23 -6.210 -1.334 3.191 89 HG12 VAL 23 HG12 VAL 23 -7.512 -1.777 4.319 90 HG13 VAL 23 HG13 VAL 23 -6.083 -0.903 4.902 91 HG21 VAL 23 HG21 VAL 23 -7.083 -3.526 6.094 92 HG22 VAL 23 HG22 VAL 23 -5.505 -4.343 6.163 93 HG23 VAL 23 HG23 VAL 23 -5.642 -2.638 6.625 94 H ALA 24 H ALA 24 -7.763 -3.287 1.673 95 HA ALA 24 HA ALA 24 -10.210 -4.162 2.949 96 HB1 ALA 24 HB1 ALA 24 -11.227 -3.596 0.768 97 HB2 ALA 24 HB2 ALA 24 -10.157 -2.313 1.344 98 HB3 ALA 24 HB3 ALA 24 -9.610 -3.408 0.053 99 H ALA 25 H ALA 25 -8.005 -5.709 0.593 100 HA ALA 25 HA ALA 25 -9.813 -7.742 -0.249 101 HB1 ALA 25 HB1 ALA 25 -7.785 -8.800 -1.184 102 HB2 ALA 25 HB2 ALA 25 -7.846 -7.065 -1.542 103 HB3 ALA 25 HB3 ALA 25 -6.761 -7.671 -0.271 104 H LYS 26 H LYS 26 -7.148 -7.902 2.136 105 HA LYS 26 HA LYS 26 -8.669 -9.743 3.840 106 HB2 LYS 26 HB2 LYS 26 -5.855 -10.529 2.908 107 HB3 LYS 26 HB3 LYS 26 -6.748 -11.253 4.226 108 HG2 LYS 26 HG2 LYS 26 -7.123 -12.798 2.622 109 HG3 LYS 26 HG3 LYS 26 -8.547 -11.791 2.456 110 HD2 LYS 26 HD2 LYS 26 -6.960 -10.582 0.603 111 HD3 LYS 26 HD3 LYS 26 -6.185 -12.155 0.614 112 HE2 LYS 26 HE2 LYS 26 -9.141 -11.585 0.096 113 HE3 LYS 26 HE3 LYS 26 -7.924 -11.951 -1.136 114 HZ1 LYS 26 HZ1 LYS 26 -7.656 -14.139 -0.153 115 HZ2 LYS 26 HZ2 LYS 26 -9.244 -13.889 -0.547 116 HZ3 LYS 26 HZ3 LYS 26 -8.748 -13.819 1.025 117 HA PRO 27 HA PRO 27 -6.453 -7.271 6.975 118 HB2 PRO 27 HB2 PRO 27 -6.672 -9.871 8.501 119 HB3 PRO 27 HB3 PRO 27 -6.942 -8.199 9.084 120 HG2 PRO 27 HG2 PRO 27 -9.059 -9.771 8.470 121 HG3 PRO 27 HG3 PRO 27 -9.038 -8.056 7.940 122 HD2 PRO 27 HD2 PRO 27 -8.416 -10.532 6.318 123 HD3 PRO 27 HD3 PRO 27 -9.356 -9.084 5.863 124 H GLU 28 H GLU 28 -5.407 -10.559 6.029 125 HA GLU 28 HA GLU 28 -2.593 -10.135 6.785 126 HB2 GLU 28 HB2 GLU 28 -3.954 -12.245 5.070 127 HB3 GLU 28 HB3 GLU 28 -2.279 -12.308 5.600 128 HG2 GLU 28 HG2 GLU 28 -4.683 -12.281 7.472 129 HG3 GLU 28 HG3 GLU 28 -3.876 -13.735 6.897 130 H SER 29 H SER 29 -4.512 -9.349 3.968 131 HA SER 29 HA SER 29 -2.334 -9.411 2.052 132 HB2 SER 29 HB2 SER 29 -5.180 -8.580 2.000 133 HB3 SER 29 HB3 SER 29 -4.085 -7.862 0.808 134 HG SER 29 HG SER 29 -4.280 -9.592 -0.251 135 H TRP 30 H TRP 30 -3.088 -7.171 4.543 136 HA TRP 30 HA TRP 30 -1.909 -4.811 3.541 137 HB2 TRP 30 HB2 TRP 30 -1.597 -4.179 5.726 138 HB3 TRP 30 HB3 TRP 30 -2.957 -5.265 5.845 139 HD1 TRP 30 HD1 TRP 30 -1.741 -8.003 6.378 140 HE1 TRP 30 HE1 TRP 30 -0.372 -8.550 8.465 141 HE3 TRP 30 HE3 TRP 30 -0.233 -3.264 7.560 142 HZ2 TRP 30 HZ2 TRP 30 1.130 -7.089 10.452 143 HZ3 TRP 30 HZ3 TRP 30 1.141 -2.865 9.592 144 HH2 TRP 30 HH2 TRP 30 1.839 -4.762 11.030 145 H GLN 31 H GLN 31 -0.293 -7.803 4.626 146 HA GLN 31 HA GLN 31 2.298 -6.821 3.527 147 HB2 GLN 31 HB2 GLN 31 1.564 -9.345 5.054 148 HB3 GLN 31 HB3 GLN 31 3.158 -9.029 4.347 149 HG2 GLN 31 HG2 GLN 31 3.444 -7.030 5.742 150 HG3 GLN 31 HG3 GLN 31 1.820 -7.207 6.392 151 HE21 GLN 31 HE21 GLN 31 2.420 -7.457 8.575 152 HE22 GLN 31 HE22 GLN 31 3.307 -8.878 9.127 153 H ARG 32 H ARG 32 -0.204 -9.296 2.894 154 HA ARG 32 HA ARG 32 1.453 -10.558 0.893 155 HB2 ARG 32 HB2 ARG 32 -1.383 -11.200 1.753 156 HB3 ARG 32 HB3 ARG 32 -0.388 -12.184 0.687 157 HG2 ARG 32 HG2 ARG 32 1.250 -12.551 2.436 158 HG3 ARG 32 HG3 ARG 32 0.398 -11.469 3.550 159 HD2 ARG 32 HD2 ARG 32 -1.567 -12.954 3.500 160 HD3 ARG 32 HD3 ARG 32 -0.756 -14.026 2.368 161 HE ARG 32 HE ARG 32 0.024 -13.567 5.238 162 HH11 ARG 32 HH11 ARG 32 0.639 -15.483 2.335 163 HH12 ARG 32 HH12 ARG 32 1.305 -16.798 3.274 164 HH21 ARG 32 HH21 ARG 32 0.650 -15.407 6.312 165 HH22 ARG 32 HH22 ARG 32 1.421 -16.695 5.398 166 H ASP 33 H ASP 33 -1.024 -8.123 0.401 167 HA ASP 33 HA ASP 33 -0.904 -8.665 -2.546 168 HB2 ASP 33 HB2 ASP 33 -2.831 -7.163 -0.825 169 HB3 ASP 33 HB3 ASP 33 -2.527 -6.496 -2.417 170 H CYS 34 H CYS 34 0.385 -6.415 -0.110 171 HA CYS 34 HA CYS 34 2.277 -5.570 -2.155 172 HB2 CYS 34 2HB CYS 34 1.928 -3.155 -1.772 173 HB3 CYS 34 3HB CYS 34 0.655 -3.946 -2.674 174 H HIS 35 H HIS 35 3.963 -6.502 -0.896 175 HA HIS 35 HA HIS 35 4.652 -4.990 1.576 176 HB2 HIS 35 2HB HIS 35 5.058 -7.388 1.583 177 HB3 HIS 35 3HB HIS 35 6.133 -7.237 0.193 178 HD1 HIS 35 1HD HIS 35 8.638 -6.727 0.787 179 HD2 HIS 35 2HD HIS 35 5.899 -6.002 3.904 180 HE1 HIS 35 1HE HIS 35 10.025 -6.072 2.832 181 H TYR 36 H TYR 36 6.411 -5.627 -1.566 182 HA TYR 36 HA TYR 36 8.027 -3.272 -1.026 183 HB2 TYR 36 HB2 TYR 36 9.283 -3.748 -2.922 184 HB3 TYR 36 HB3 TYR 36 9.013 -5.243 -2.056 185 HD1 TYR 36 HD2 TYR 36 7.369 -6.953 -3.041 186 HD2 TYR 36 HD1 TYR 36 8.760 -3.483 -5.191 187 HE1 TYR 36 HE2 TYR 36 6.781 -8.051 -5.200 188 HE2 TYR 36 HE1 TYR 36 8.162 -4.582 -7.349 189 HH TYR 36 HH TYR 36 7.260 -6.430 -8.355 190 H LEU 37 H LEU 37 5.119 -3.796 -2.956 191 HA LEU 37 HA LEU 37 5.241 -1.160 -4.187 192 HB2 LEU 37 HB2 LEU 37 3.151 -3.290 -3.885 193 HB3 LEU 37 HB3 LEU 37 2.626 -1.644 -4.225 194 HG LEU 37 HG LEU 37 3.985 -1.521 -6.238 195 HD11 LEU 37 HD11 LEU 37 5.116 -3.534 -7.166 196 HD12 LEU 37 HD12 LEU 37 4.843 -4.379 -5.630 197 HD13 LEU 37 HD13 LEU 37 5.897 -2.959 -5.684 198 HD21 LEU 37 HD21 LEU 37 1.716 -2.419 -6.421 199 HD22 LEU 37 HD22 LEU 37 2.310 -4.061 -6.101 200 HD23 LEU 37 HD23 LEU 37 2.779 -3.219 -7.588 201 H LYS 38 H LYS 38 4.084 -2.280 -0.999 202 HA LYS 38 HA LYS 38 2.950 0.270 -0.190 203 HB2 LYS 38 HB2 LYS 38 2.374 -1.836 0.876 204 HB3 LYS 38 HB3 LYS 38 4.035 -2.043 1.452 205 HG2 LYS 38 HG2 LYS 38 3.745 0.053 2.829 206 HG3 LYS 38 HG3 LYS 38 2.051 0.113 2.284 207 HD2 LYS 38 HD2 LYS 38 1.800 -2.266 3.181 208 HD3 LYS 38 HD3 LYS 38 3.403 -2.111 3.896 209 HE2 LYS 38 HE2 LYS 38 1.007 -0.317 4.506 210 HE3 LYS 38 HE3 LYS 38 1.513 -1.705 5.476 211 HZ1 LYS 38 HZ1 LYS 38 3.070 0.778 5.064 212 HZ2 LYS 38 HZ2 LYS 38 3.632 -0.545 5.889 213 HZ3 LYS 38 HZ3 LYS 38 2.312 0.276 6.431 214 H MET 39 H MET 39 6.191 -1.205 0.159 215 HA MET 39 HA MET 39 7.456 1.026 1.383 216 HB2 MET 39 HB2 MET 39 8.331 -1.365 0.989 217 HB3 MET 39 HB3 MET 39 8.780 -0.827 -0.636 218 HG2 MET 39 HG2 MET 39 10.147 0.996 0.426 219 HG3 MET 39 HG3 MET 39 9.726 0.329 2.010 220 HE1 MET 39 HE1 MET 39 13.263 -1.014 2.246 221 HE2 MET 39 HE2 MET 39 12.603 0.617 2.002 222 HE3 MET 39 HE3 MET 39 11.815 -0.503 3.138 223 H SER 40 H SER 40 7.117 0.282 -2.127 224 HA SER 40 HA SER 40 8.409 2.552 -3.174 225 HB2 SER 40 HB2 SER 40 7.927 0.711 -4.597 226 HB3 SER 40 HB3 SER 40 6.207 0.748 -4.183 227 HG SER 40 HG SER 40 7.639 2.533 -5.855 228 H ILE 41 H ILE 41 4.853 2.231 -2.494 229 HA ILE 41 HA ILE 41 4.352 4.967 -3.280 230 HB ILE 41 HB ILE 41 2.158 4.729 -2.386 231 HG12 ILE 41 HG12 ILE 41 3.213 2.211 -1.128 232 HG13 ILE 41 HG13 ILE 41 2.352 3.528 -0.366 233 HG21 ILE 41 HG21 ILE 41 1.283 3.126 -3.905 234 HG22 ILE 41 HG22 ILE 41 2.703 3.879 -4.624 235 HG23 ILE 41 HG23 ILE 41 2.827 2.236 -3.958 236 HD11 ILE 41 HD11 ILE 41 0.948 1.580 -0.399 237 HD12 ILE 41 HD12 ILE 41 0.254 2.731 -1.547 238 HD13 ILE 41 HD13 ILE 41 1.195 1.339 -2.133 239 H ALA 42 H ALA 42 5.118 3.520 -0.064 240 HA ALA 42 HA ALA 42 4.727 5.960 1.373 241 HB1 ALA 42 HB1 ALA 42 5.084 3.734 2.432 242 HB2 ALA 42 HB2 ALA 42 6.758 3.721 1.847 243 HB3 ALA 42 HB3 ALA 42 6.239 4.935 3.035 244 H GLN 43 H GLN 43 7.461 4.737 -0.523 245 HA GLN 43 HA GLN 43 9.244 6.899 0.084 246 HB2 GLN 43 HB2 GLN 43 9.248 4.618 -1.903 247 HB3 GLN 43 HB3 GLN 43 10.551 5.803 -1.850 248 HG2 GLN 43 HG2 GLN 43 11.037 5.303 0.482 249 HG3 GLN 43 HG3 GLN 43 9.655 4.246 0.621 250 HE21 GLN 43 HE21 GLN 43 12.115 3.282 1.393 251 HE22 GLN 43 HE22 GLN 43 12.578 2.063 0.198 252 H CYS 44 H CYS 44 6.725 6.710 -2.480 253 HA CYS 44 HA CYS 44 7.896 8.923 -3.930 254 HB2 CYS 44 2HB CYS 44 5.772 9.267 -5.013 255 HB3 CYS 44 3HB CYS 44 6.356 7.622 -5.090 256 H THR 45 H THR 45 5.833 8.834 -1.045 257 HA THR 45 HA THR 45 5.791 11.766 -0.833 258 HB THR 45 HB THR 45 4.985 9.560 1.079 259 HG1 THR 45 HG1 THR 45 2.983 10.165 0.482 260 HG21 THR 45 HG21 THR 45 4.677 12.583 1.378 261 HG22 THR 45 HG22 THR 45 5.573 11.499 2.471 262 HG23 THR 45 HG23 THR 45 3.819 11.367 2.348 263 H SER 46 H SER 46 7.732 9.129 0.651 264 HA SER 46 HA SER 46 9.040 11.116 2.375 265 HB2 SER 46 HB2 SER 46 7.855 9.120 3.270 266 HB3 SER 46 HB3 SER 46 9.121 8.098 2.565 267 HG SER 46 HG SER 46 9.583 10.258 4.376 268 H SER 47 H SER 47 10.116 9.234 -0.358 269 HA SER 47 HA SER 47 12.969 9.784 0.391 270 HB2 SER 47 HB2 SER 47 11.819 7.324 -0.931 271 HB3 SER 47 HB3 SER 47 13.544 7.648 -0.697 272 HG SER 47 HG SER 47 13.246 7.664 1.506 273 H HIS 48 H HIS 48 10.657 9.885 -2.213 274 HA HIS 48 HA HIS 48 10.653 10.920 -4.154 275 HB2 HIS 48 2HB HIS 48 13.111 12.357 -3.201 276 HB3 HIS 48 3HB HIS 48 12.143 12.787 -4.613 277 HD1 HIS 48 1HD HIS 48 11.931 12.730 -0.745 278 HD2 HIS 48 2HD HIS 48 9.825 14.046 -4.148 279 HE1 HIS 48 1HE HIS 48 9.984 14.106 0.109 280 HA PRO 49 HA PRO 49 13.786 9.084 -7.107 281 HB2 PRO 49 HB2 PRO 49 16.277 8.730 -5.437 282 HB3 PRO 49 HB3 PRO 49 16.137 9.021 -7.200 283 HG2 PRO 49 HG2 PRO 49 16.755 11.059 -5.537 284 HG3 PRO 49 HG3 PRO 49 15.556 11.314 -6.839 285 HD2 PRO 49 HD2 PRO 49 15.077 10.755 -3.912 286 HD3 PRO 49 HD3 PRO 49 14.293 11.953 -4.989 287 H ILE 50 H ILE 50 14.325 6.849 -7.591 288 HA ILE 50 HA ILE 50 13.006 4.931 -5.924 289 HB ILE 50 HB ILE 50 14.965 4.458 -8.200 290 HG12 ILE 50 HG12 ILE 50 13.138 5.815 -9.027 291 HG13 ILE 50 HG13 ILE 50 13.018 4.194 -9.665 292 HG21 ILE 50 HG21 ILE 50 13.857 2.275 -8.476 293 HG22 ILE 50 HG22 ILE 50 14.616 2.406 -6.889 294 HG23 ILE 50 HG23 ILE 50 12.860 2.583 -7.043 295 HD11 ILE 50 HD11 ILE 50 10.816 5.105 -9.081 296 HD12 ILE 50 HD12 ILE 50 11.174 3.691 -8.085 297 HD13 ILE 50 HD13 ILE 50 11.314 5.331 -7.398 298 H ILE 51 H ILE 51 13.676 3.624 -4.320 299 HA ILE 51 HA ILE 51 16.392 3.965 -3.235 300 HB ILE 51 HB ILE 51 13.799 2.830 -2.208 301 HG12 ILE 51 HG12 ILE 51 14.040 5.290 -2.216 302 HG13 ILE 51 HG13 ILE 51 13.860 4.627 -0.606 303 HG21 ILE 51 HG21 ILE 51 15.346 1.319 -1.210 304 HG22 ILE 51 HG22 ILE 51 16.462 2.634 -0.772 305 HG23 ILE 51 HG23 ILE 51 14.890 2.494 0.020 306 HD11 ILE 51 HD11 ILE 51 16.484 5.598 -1.803 307 HD12 ILE 51 HD12 ILE 51 15.493 6.426 -0.598 308 HD13 ILE 51 HD13 ILE 51 16.285 4.906 -0.177 309 H ARG 52 H ARG 52 17.853 2.402 -2.791 310 HA ARG 52 HA ARG 52 18.478 0.607 -4.791 311 HB2 ARG 52 HB2 ARG 52 19.956 1.610 -3.042 312 HB3 ARG 52 HB3 ARG 52 19.332 0.452 -1.861 313 HG2 ARG 52 HG2 ARG 52 20.293 -1.415 -3.167 314 HG3 ARG 52 HG3 ARG 52 20.776 -0.281 -4.442 315 HD2 ARG 52 HD2 ARG 52 22.190 0.926 -2.723 316 HD3 ARG 52 HD3 ARG 52 21.841 -0.389 -1.590 317 HE ARG 52 HE ARG 52 22.790 -1.821 -3.650 318 HH11 ARG 52 HH11 ARG 52 24.322 0.928 -2.082 319 HH12 ARG 52 HH12 ARG 52 25.815 0.676 -2.965 320 HH21 ARG 52 HH21 ARG 52 24.724 -2.216 -4.444 321 HH22 ARG 52 HH22 ARG 52 26.089 -1.184 -4.055 322 H GLN 53 H GLN 53 16.683 -0.238 -1.838 323 HA GLN 53 HA GLN 53 16.731 -3.081 -2.453 324 HB2 GLN 53 HB2 GLN 53 15.107 -1.580 -0.364 325 HB3 GLN 53 HB3 GLN 53 15.342 -3.322 -0.457 326 HG2 GLN 53 HG2 GLN 53 17.370 -1.194 0.238 327 HG3 GLN 53 HG3 GLN 53 16.850 -2.564 1.210 328 HE21 GLN 53 HE21 GLN 53 17.297 -4.829 -0.183 329 HE22 GLN 53 HE22 GLN 53 18.934 -4.865 -0.838 330 H ILE 54 H ILE 54 14.463 -0.548 -3.365 331 HA ILE 54 HA ILE 54 12.588 -2.640 -4.356 332 HB ILE 54 HB ILE 54 11.181 -0.859 -5.167 333 HG12 ILE 54 HG12 ILE 54 12.902 1.134 -3.649 334 HG13 ILE 54 HG13 ILE 54 12.997 0.908 -5.399 335 HG21 ILE 54 HG21 ILE 54 10.923 -1.913 -2.907 336 HG22 ILE 54 HG22 ILE 54 11.815 -0.552 -2.203 337 HG23 ILE 54 HG23 ILE 54 10.254 -0.283 -2.996 338 HD11 ILE 54 HD11 ILE 54 10.512 1.792 -3.885 339 HD12 ILE 54 HD12 ILE 54 11.564 2.807 -4.880 340 HD13 ILE 54 HD13 ILE 54 10.616 1.511 -5.637 341 H ARG 55 H ARG 55 15.050 -0.398 -5.559 342 HA ARG 55 HA ARG 55 14.667 -0.766 -8.343 343 HB2 ARG 55 HB2 ARG 55 16.224 0.855 -7.058 344 HB3 ARG 55 HB3 ARG 55 17.371 -0.475 -6.972 345 HG2 ARG 55 HG2 ARG 55 17.388 -0.568 -9.491 346 HG3 ARG 55 HG3 ARG 55 16.213 0.755 -9.518 347 HD2 ARG 55 HD2 ARG 55 18.390 1.688 -9.931 348 HD3 ARG 55 HD3 ARG 55 17.865 2.210 -8.328 349 HE ARG 55 HE ARG 55 19.689 -0.158 -8.714 350 HH11 ARG 55 HH11 ARG 55 19.384 3.094 -7.224 351 HH12 ARG 55 HH12 ARG 55 20.751 2.713 -6.193 352 HH21 ARG 55 HH21 ARG 55 21.379 -0.378 -7.307 353 HH22 ARG 55 HH22 ARG 55 21.806 0.981 -6.278 354 H GLN 56 H GLN 56 16.097 -2.960 -6.039 355 HA GLN 56 HA GLN 56 17.585 -4.665 -7.662 356 HB2 GLN 56 HB2 GLN 56 17.515 -4.597 -5.196 357 HB3 GLN 56 HB3 GLN 56 15.902 -5.323 -5.203 358 HG2 GLN 56 HG2 GLN 56 16.772 -7.407 -6.094 359 HG3 GLN 56 HG3 GLN 56 18.343 -6.662 -6.435 360 HE21 GLN 56 HE21 GLN 56 16.149 -7.632 -3.782 361 HE22 GLN 56 HE22 GLN 56 17.430 -7.723 -2.563 362 H ALA 57 H ALA 57 14.053 -4.482 -7.556 363 HA ALA 57 HA ALA 57 13.539 -7.055 -8.772 364 HB1 ALA 57 HB1 ALA 57 11.298 -6.084 -9.148 365 HB2 ALA 57 HB2 ALA 57 11.861 -5.783 -7.494 366 HB3 ALA 57 HB3 ALA 57 11.908 -4.475 -8.700 367 H CYS 58 H CYS 58 14.678 -4.013 -10.070 368 HA CYS 58 HA CYS 58 13.759 -4.498 -12.812 369 HB2 CYS 58 2HB CYS 58 15.344 -2.225 -11.570 370 HB3 CYS 58 3HB CYS 58 14.614 -2.224 -13.170 371 H ALA 59 H ALA 59 16.113 -6.057 -11.420 372 HA ALA 59 HA ALA 59 18.582 -5.352 -12.414 373 HB1 ALA 59 HB1 ALA 59 19.162 -7.719 -11.882 374 HB2 ALA 59 HB2 ALA 59 18.179 -6.943 -10.631 375 HB3 ALA 59 HB3 ALA 59 17.434 -8.099 -11.763 376 H GLN 60 H GLN 60 16.154 -7.267 -14.257 377 HA GLN 60 HA GLN 60 18.059 -8.034 -16.311 378 HB2 GLN 60 HB2 GLN 60 15.047 -8.194 -16.116 379 HB3 GLN 60 HB3 GLN 60 15.918 -8.603 -17.604 380 HG2 GLN 60 HG2 GLN 60 17.229 -10.298 -16.384 381 HG3 GLN 60 HG3 GLN 60 16.408 -9.875 -14.879 382 HE21 GLN 60 HE21 GLN 60 16.202 -12.435 -15.356 383 HE22 GLN 60 HE22 GLN 60 14.595 -12.829 -15.997 384 HA PRO 61 HA PRO 61 16.416 -4.159 -18.768 385 HB2 PRO 61 HB2 PRO 61 15.375 -2.657 -16.352 386 HB3 PRO 61 HB3 PRO 61 14.929 -2.463 -18.079 387 HG2 PRO 61 HG2 PRO 61 13.336 -3.878 -16.428 388 HG3 PRO 61 HG3 PRO 61 13.701 -4.511 -18.066 389 HD2 PRO 61 HD2 PRO 61 14.893 -5.348 -15.421 390 HD3 PRO 61 HD3 PRO 61 14.406 -6.327 -16.833 391 H PHE 62 H PHE 62 17.563 -3.822 -15.348 392 HA PHE 62 HA PHE 62 19.364 -1.695 -15.756 393 HB2 PHE 62 HB2 PHE 62 18.615 -2.890 -13.583 394 HB3 PHE 62 HB3 PHE 62 19.942 -4.000 -13.875 395 HD1 PHE 62 HD1 PHE 62 22.334 -2.798 -14.294 396 HD2 PHE 62 HD2 PHE 62 18.968 -1.027 -12.243 397 HE1 PHE 62 HE1 PHE 62 23.846 -1.172 -13.202 398 HE2 PHE 62 HE2 PHE 62 20.494 0.597 -11.160 399 HZ PHE 62 HZ PHE 62 22.935 0.535 -11.643 400 H GLU 63 H GLU 63 20.009 -5.198 -16.005 401 HA GLU 63 HA GLU 63 22.679 -5.000 -16.998 402 HB2 GLU 63 HB2 GLU 63 21.642 -6.950 -15.899 403 HB3 GLU 63 HB3 GLU 63 20.592 -7.211 -17.291 404 HG2 GLU 63 HG2 GLU 63 22.476 -7.821 -18.679 405 HG3 GLU 63 HG3 GLU 63 23.625 -7.250 -17.465 406 H ALA 64 H ALA 64 19.535 -5.090 -18.724 407 HA ALA 64 HA ALA 64 20.661 -5.427 -21.338 408 HB1 ALA 64 HB1 ALA 64 18.369 -4.969 -22.099 409 HB2 ALA 64 HB2 ALA 64 18.357 -6.085 -20.726 410 HB3 ALA 64 HB3 ALA 64 17.935 -4.376 -20.484 411 H PHE 65 H PHE 65 19.808 -2.441 -19.538 412 HA PHE 65 HA PHE 65 20.579 -0.803 -21.884 413 HB2 PHE 65 HB2 PHE 65 19.659 -0.006 -19.114 414 HB3 PHE 65 HB3 PHE 65 20.028 1.107 -20.431 415 HD1 PHE 65 HD2 PHE 65 18.818 0.389 -22.787 416 HD2 PHE 65 HD1 PHE 65 17.348 -0.365 -18.809 417 HE1 PHE 65 HE2 PHE 65 16.497 0.253 -23.670 418 HE2 PHE 65 HE1 PHE 65 15.046 -0.503 -19.688 419 HZ PHE 65 HZ PHE 65 14.603 -0.177 -22.123 420 H GLU 66 H GLU 66 22.138 -1.867 -18.867 421 HA GLU 66 HA GLU 66 24.561 -0.317 -19.261 422 HB2 GLU 66 HB2 GLU 66 23.935 -1.635 -17.203 423 HB3 GLU 66 HB3 GLU 66 24.191 -3.125 -18.118 424 HG2 GLU 66 HG2 GLU 66 26.574 -2.381 -18.497 425 HG3 GLU 66 HG3 GLU 66 26.263 -0.995 -17.451 426 H GLU 67 H GLU 67 23.305 -3.339 -20.674 427 HA GLU 67 HA GLU 67 25.573 -3.985 -22.241 428 HB2 GLU 67 HB2 GLU 67 23.742 -5.518 -21.594 429 HB3 GLU 67 HB3 GLU 67 22.676 -4.704 -22.728 430 HG2 GLU 67 HG2 GLU 67 24.165 -5.439 -24.590 431 HG3 GLU 67 HG3 GLU 67 25.174 -6.291 -23.406 432 H CYS 68 H CYS 68 22.899 -1.698 -22.980 433 HA CYS 68 HA CYS 68 23.334 -1.403 -25.771 434 HB2 CYS 68 2HB CYS 68 22.484 0.626 -23.664 435 HB3 CYS 68 3HB CYS 68 22.573 0.995 -25.378 436 H LEU 69 H LEU 69 24.988 0.334 -23.086 437 HA LEU 69 HA LEU 69 26.925 1.604 -24.728 438 HB2 LEU 69 HB2 LEU 69 26.754 1.040 -21.750 439 HB3 LEU 69 HB3 LEU 69 28.106 1.890 -22.495 440 HG LEU 69 HG LEU 69 26.667 3.705 -23.212 441 HD11 LEU 69 HD11 LEU 69 24.432 2.664 -23.388 442 HD12 LEU 69 HD12 LEU 69 24.399 3.962 -22.204 443 HD13 LEU 69 HD13 LEU 69 24.462 2.269 -21.655 444 HD21 LEU 69 HD21 LEU 69 26.463 3.016 -20.264 445 HD22 LEU 69 HD22 LEU 69 26.289 4.641 -20.976 446 HD23 LEU 69 HD23 LEU 69 27.835 3.796 -21.078 447 H ARG 70 H ARG 70 26.857 -1.596 -23.175 448 HA ARG 70 HA ARG 70 29.667 -2.144 -23.499 449 HB2 ARG 70 HB2 ARG 70 28.139 -3.420 -22.010 450 HB3 ARG 70 HB3 ARG 70 27.314 -4.059 -23.429 451 HG2 ARG 70 HG2 ARG 70 28.862 -5.668 -22.405 452 HG3 ARG 70 HG3 ARG 70 29.228 -5.350 -24.102 453 HD2 ARG 70 HD2 ARG 70 31.129 -3.996 -23.547 454 HD3 ARG 70 HD3 ARG 70 30.660 -3.918 -21.837 455 HE ARG 70 HE ARG 70 30.990 -6.656 -22.482 456 HH11 ARG 70 HH11 ARG 70 33.108 -3.858 -22.150 457 HH12 ARG 70 HH12 ARG 70 34.449 -4.888 -21.653 458 HH21 ARG 70 HH21 ARG 70 32.607 -7.796 -21.943 459 HH22 ARG 70 HH22 ARG 70 34.186 -7.123 -21.565 460 H GLN 71 H GLN 71 26.896 -3.076 -25.618 461 HA GLN 71 HA GLN 71 28.775 -4.127 -27.598 462 HB2 GLN 71 HB2 GLN 71 26.902 -4.769 -28.912 463 HB3 GLN 71 HB3 GLN 71 26.717 -5.311 -27.253 464 HG2 GLN 71 HG2 GLN 71 24.957 -3.738 -26.826 465 HG3 GLN 71 HG3 GLN 71 25.307 -2.813 -28.283 466 HE21 GLN 71 HE21 GLN 71 24.552 -3.595 -30.321 467 HE22 GLN 71 HE22 GLN 71 23.347 -4.886 -30.392 468 H ASN 72 H ASN 72 26.938 -1.093 -27.336 469 HA ASN 72 HA ASN 72 28.279 -0.054 -29.774 470 HB2 ASN 72 HB2 ASN 72 25.281 -0.452 -29.420 471 HB3 ASN 72 HB3 ASN 72 25.956 0.676 -30.568 472 HD21 ASN 72 HD21 ASN 72 27.301 -0.033 -32.245 473 HD22 ASN 72 HD22 ASN 72 27.235 -1.698 -32.829 474 H GLU 73 H GLU 73 29.191 0.911 -27.562 475 HA GLU 73 HA GLU 73 27.783 2.769 -26.029 476 HB2 GLU 73 HB2 GLU 73 30.250 1.866 -25.853 477 HB3 GLU 73 HB3 GLU 73 30.682 3.202 -26.907 478 HG2 GLU 73 HG2 GLU 73 29.704 4.806 -25.300 479 HG3 GLU 73 HG3 GLU 73 29.183 3.476 -24.274 480 H ALA 74 H ALA 74 29.126 3.222 -29.267 481 HA ALA 74 HA ALA 74 28.954 6.115 -29.321 482 HB1 ALA 74 HB1 ALA 74 29.713 5.731 -31.627 483 HB2 ALA 74 HB2 ALA 74 30.623 4.710 -30.482 484 HB3 ALA 74 HB3 ALA 74 29.320 3.997 -31.467 485 H ALA 75 H ALA 75 26.590 3.633 -29.809 486 HA ALA 75 HA ALA 75 24.871 5.334 -31.548 487 HB1 ALA 75 HB1 ALA 75 24.636 2.386 -30.881 488 HB2 ALA 75 HB2 ALA 75 23.736 3.277 -32.106 489 HB3 ALA 75 HB3 ALA 75 25.481 3.033 -32.315 490 H VAL 76 H VAL 76 25.257 5.310 -28.401 491 HA VAL 76 HA VAL 76 22.830 4.361 -27.338 492 HB VAL 76 HB VAL 76 23.499 5.374 -25.213 493 HG11 VAL 76 HG11 VAL 76 25.598 4.073 -25.020 494 HG12 VAL 76 HG12 VAL 76 24.300 3.182 -25.834 495 HG13 VAL 76 HG13 VAL 76 25.634 3.873 -26.768 496 HG21 VAL 76 HG21 VAL 76 25.706 6.428 -25.011 497 HG22 VAL 76 HG22 VAL 76 25.822 6.553 -26.781 498 HG23 VAL 76 HG23 VAL 76 24.563 7.449 -25.905 499 H GLY 77 H GLY 77 23.094 7.186 -29.127 500 HA2 GLY 77 HA2 GLY 77 20.799 8.661 -28.217 501 HA3 GLY 77 HA3 GLY 77 21.308 8.419 -29.889 502 H ASN 78 H ASN 78 21.046 5.384 -29.580 503 HA ASN 78 HA ASN 78 18.144 5.105 -29.986 504 HB2 ASN 78 HB2 ASN 78 19.698 4.015 -31.514 505 HB3 ASN 78 HB3 ASN 78 20.503 3.191 -30.178 506 HD21 ASN 78 HD21 ASN 78 19.892 1.111 -29.899 507 HD22 ASN 78 HD22 ASN 78 18.310 0.473 -30.324 508 H CYS 79 H CYS 79 20.549 3.860 -27.580 509 HA CYS 79 HA CYS 79 18.479 4.014 -25.565 510 HB2 CYS 79 2HB CYS 79 18.790 1.708 -24.706 511 HB3 CYS 79 3HB CYS 79 17.947 1.815 -26.238 512 H ALA 80 H ALA 80 19.301 4.611 -23.636 513 HA ALA 80 HA ALA 80 22.195 4.251 -23.047 514 HB1 ALA 80 HB1 ALA 80 21.829 6.485 -24.047 515 HB2 ALA 80 HB2 ALA 80 20.581 6.823 -22.831 516 HB3 ALA 80 HB3 ALA 80 22.279 6.609 -22.342 517 H GLU 81 H GLU 81 22.764 4.491 -20.793 518 HA GLU 81 HA GLU 81 20.947 2.779 -19.453 519 HB2 GLU 81 HB2 GLU 81 22.656 2.272 -17.948 520 HB3 GLU 81 HB3 GLU 81 23.430 2.523 -19.503 521 HG2 GLU 81 HG2 GLU 81 23.987 4.884 -18.750 522 HG3 GLU 81 HG3 GLU 81 23.406 4.445 -17.146 523 H HIS 82 H HIS 82 22.012 6.054 -18.256 524 HA HIS 82 HA HIS 82 20.563 5.620 -15.857 525 HB2 HIS 82 2HB HIS 82 21.419 8.271 -17.101 526 HB3 HIS 82 3HB HIS 82 20.926 8.040 -15.425 527 HD1 HIS 82 1HD HIS 82 23.918 7.620 -17.686 528 HD2 HIS 82 2HD HIS 82 22.685 6.761 -13.760 529 HE1 HIS 82 1HE HIS 82 26.023 6.951 -16.402 530 H MET 83 H MET 83 19.510 7.278 -18.839 531 HA MET 83 HA MET 83 16.944 8.060 -17.704 532 HB2 MET 83 HB2 MET 83 17.885 7.753 -20.592 533 HB3 MET 83 HB3 MET 83 16.300 8.382 -20.120 534 HG2 MET 83 HG2 MET 83 17.360 10.214 -18.871 535 HG3 MET 83 HG3 MET 83 18.961 9.600 -19.293 536 HE1 MET 83 HE1 MET 83 19.770 11.871 -20.205 537 HE2 MET 83 HE2 MET 83 18.855 12.882 -21.345 538 HE3 MET 83 HE3 MET 83 18.218 12.578 -19.711 539 H ARG 84 H ARG 84 17.902 5.234 -19.828 540 HA ARG 84 HA ARG 84 15.083 4.427 -19.733 541 HB2 ARG 84 HB2 ARG 84 17.378 3.046 -21.144 542 HB3 ARG 84 HB3 ARG 84 15.657 2.629 -21.237 543 HG2 ARG 84 HG2 ARG 84 15.213 5.050 -21.950 544 HG3 ARG 84 HG3 ARG 84 16.962 5.218 -22.162 545 HD2 ARG 84 HD2 ARG 84 16.919 3.363 -23.813 546 HD3 ARG 84 HD3 ARG 84 15.172 3.205 -23.602 547 HE ARG 84 HE ARG 84 16.642 5.410 -24.959 548 HH11 ARG 84 HH11 ARG 84 13.454 4.392 -23.799 549 HH12 ARG 84 HH12 ARG 84 12.658 5.600 -24.766 550 HH21 ARG 84 HH21 ARG 84 15.495 6.881 -26.207 551 HH22 ARG 84 HH22 ARG 84 13.788 7.080 -25.882 552 H ARG 85 H ARG 85 17.887 3.504 -17.825 553 HA ARG 85 HA ARG 85 16.587 1.196 -16.613 554 HB2 ARG 85 HB2 ARG 85 18.683 3.126 -15.515 555 HB3 ARG 85 HB3 ARG 85 18.052 1.732 -14.638 556 HG2 ARG 85 HG2 ARG 85 18.751 0.254 -16.548 557 HG3 ARG 85 HG3 ARG 85 19.603 1.605 -17.262 558 HD2 ARG 85 HD2 ARG 85 20.108 0.406 -14.522 559 HD3 ARG 85 HD3 ARG 85 21.081 0.116 -15.958 560 HE ARG 85 HE ARG 85 20.826 2.816 -14.630 561 HH11 ARG 85 HH11 ARG 85 23.009 0.322 -15.867 562 HH12 ARG 85 HH12 ARG 85 24.353 1.439 -15.841 563 HH21 ARG 85 HH21 ARG 85 22.611 3.914 -14.221 564 HH22 ARG 85 HH22 ARG 85 24.189 3.200 -14.533 565 H PHE 86 H PHE 86 16.509 4.720 -15.695 566 HA PHE 86 HA PHE 86 14.624 4.155 -13.576 567 HB2 PHE 86 HB2 PHE 86 16.064 6.092 -13.480 568 HB3 PHE 86 HB3 PHE 86 15.380 6.734 -14.968 569 HD1 PHE 86 HD1 PHE 86 13.370 5.276 -12.107 570 HD2 PHE 86 HD2 PHE 86 14.679 8.851 -14.142 571 HE1 PHE 86 HE1 PHE 86 11.655 6.597 -10.901 572 HE2 PHE 86 HE2 PHE 86 13.008 10.170 -12.875 573 HZ PHE 86 HZ PHE 86 11.472 9.047 -11.273 574 H LEU 87 H LEU 87 14.138 5.205 -16.994 575 HA LEU 87 HA LEU 87 11.316 5.536 -16.769 576 HB2 LEU 87 HB2 LEU 87 12.871 6.343 -18.621 577 HB3 LEU 87 HB3 LEU 87 12.920 4.681 -19.210 578 HG LEU 87 HG LEU 87 10.415 4.789 -19.546 579 HD11 LEU 87 HD11 LEU 87 9.894 6.667 -17.986 580 HD12 LEU 87 HD12 LEU 87 9.358 7.021 -19.631 581 HD13 LEU 87 HD13 LEU 87 10.846 7.764 -19.003 582 HD21 LEU 87 HD21 LEU 87 12.026 5.192 -21.385 583 HD22 LEU 87 HD22 LEU 87 12.051 6.922 -20.989 584 HD23 LEU 87 HD23 LEU 87 10.556 6.158 -21.576 585 H GLN 88 H GLN 88 13.142 2.552 -17.676 586 HA GLN 88 HA GLN 88 10.611 1.088 -17.831 587 HB2 GLN 88 HB2 GLN 88 13.517 0.200 -17.979 588 HB3 GLN 88 HB3 GLN 88 12.167 -0.921 -18.061 589 HG2 GLN 88 HG2 GLN 88 12.715 1.357 -20.005 590 HG3 GLN 88 HG3 GLN 88 12.886 -0.366 -20.327 591 HE21 GLN 88 HE21 GLN 88 11.186 1.681 -21.686 592 HE22 GLN 88 HE22 GLN 88 9.535 1.067 -21.537 593 H CYS 89 H CYS 89 13.094 1.471 -15.257 594 HA CYS 89 HA CYS 89 11.905 -0.554 -13.620 595 HB2 CYS 89 2HB CYS 89 14.203 0.370 -13.366 596 HB3 CYS 89 3HB CYS 89 13.515 1.862 -12.733 597 H ALA 90 H ALA 90 11.263 3.013 -13.791 598 HA ALA 90 HA ALA 90 9.187 2.964 -11.807 599 HB1 ALA 90 HB1 ALA 90 9.630 4.881 -14.138 600 HB2 ALA 90 HB2 ALA 90 8.635 5.183 -12.697 601 HB3 ALA 90 HB3 ALA 90 10.390 5.006 -12.530 602 H GLU 91 H GLU 91 9.153 1.713 -15.033 603 HA GLU 91 HA GLU 91 6.183 1.535 -15.007 604 HB2 GLU 91 HB2 GLU 91 7.497 2.242 -17.051 605 HB3 GLU 91 HB3 GLU 91 8.053 0.573 -17.192 606 HG2 GLU 91 HG2 GLU 91 5.810 -0.227 -17.575 607 HG3 GLU 91 HG3 GLU 91 5.095 1.276 -16.975 608 H GLN 92 H GLN 92 8.734 -0.214 -13.716 609 HA GLN 92 HA GLN 92 7.290 -2.823 -13.870 610 HB2 GLN 92 HB2 GLN 92 9.481 -2.867 -14.853 611 HB3 GLN 92 HB3 GLN 92 10.226 -2.192 -13.394 612 HG2 GLN 92 HG2 GLN 92 9.785 -4.178 -12.121 613 HG3 GLN 92 HG3 GLN 92 8.651 -4.785 -13.326 614 HE21 GLN 92 HE21 GLN 92 10.060 -6.717 -12.889 615 HE22 GLN 92 HE22 GLN 92 11.427 -6.920 -13.998 616 H VAL 93 H VAL 93 8.751 -0.541 -11.529 617 HA VAL 93 HA VAL 93 7.296 -1.994 -9.371 618 HB VAL 93 HB VAL 93 9.700 -1.834 -8.941 619 HG11 VAL 93 HG11 VAL 93 10.725 0.268 -8.213 620 HG12 VAL 93 HG12 VAL 93 10.279 0.339 -9.917 621 HG13 VAL 93 HG13 VAL 93 9.282 1.174 -8.708 622 HG21 VAL 93 HG21 VAL 93 8.032 -0.198 -6.991 623 HG22 VAL 93 HG22 VAL 93 7.981 -1.974 -7.134 624 HG23 VAL 93 HG23 VAL 93 9.471 -1.165 -6.636 Start of MODEL 11 1 H TYR 11 H TYR 11 2.493 14.225 0.916 2 HA TYR 11 HA TYR 11 -0.144 13.018 0.710 3 HB2 TYR 11 HB2 TYR 11 -0.612 15.387 0.069 4 HB3 TYR 11 HB3 TYR 11 0.628 15.255 -1.177 5 HD1 TYR 11 HD1 TYR 11 -2.376 13.211 -0.085 6 HD2 TYR 11 HD2 TYR 11 -0.285 15.113 -3.349 7 HE1 TYR 11 HE1 TYR 11 -4.139 12.453 -1.664 8 HE2 TYR 11 HE2 TYR 11 -2.062 14.369 -4.917 9 HH TYR 11 HH TYR 11 -4.110 13.385 -5.122 10 H CYS 12 H CYS 12 -0.199 11.387 -0.780 11 HA CYS 12 HA CYS 12 0.984 11.801 -3.331 12 HB2 CYS 12 2HB CYS 12 2.922 10.742 -2.142 13 HB3 CYS 12 3HB CYS 12 1.954 9.297 -1.891 14 H GLY 13 H GLY 13 -0.605 11.090 -4.767 15 HA2 GLY 13 HA2 GLY 13 -3.059 10.297 -3.663 16 HA3 GLY 13 HA3 GLY 13 -2.670 10.308 -5.395 17 H ARG 14 H ARG 14 -0.825 8.208 -5.553 18 HA ARG 14 HA ARG 14 -2.531 5.915 -5.203 19 HB2 ARG 14 HB2 ARG 14 -1.175 4.713 -6.494 20 HB3 ARG 14 HB3 ARG 14 -0.838 6.331 -7.089 21 HG2 ARG 14 HG2 ARG 14 0.844 4.564 -5.299 22 HG3 ARG 14 HG3 ARG 14 1.156 4.914 -6.980 23 HD2 ARG 14 HD2 ARG 14 1.287 6.991 -4.761 24 HD3 ARG 14 HD3 ARG 14 2.666 6.079 -5.352 25 HE ARG 14 HE ARG 14 1.067 8.035 -6.977 26 HH11 ARG 14 HH11 ARG 14 4.196 6.400 -6.620 27 HH12 ARG 14 HH12 ARG 14 4.966 7.656 -7.578 28 HH21 ARG 14 HH21 ARG 14 2.120 9.307 -8.407 29 HH22 ARG 14 HH22 ARG 14 3.826 9.120 -8.660 30 H GLU 15 H GLU 15 -0.487 7.328 -2.882 31 HA GLU 15 HA GLU 15 0.082 4.815 -1.511 32 HB2 GLU 15 HB2 GLU 15 1.366 5.930 -0.051 33 HB3 GLU 15 HB3 GLU 15 1.462 7.028 -1.401 34 HG2 GLU 15 HG2 GLU 15 0.824 8.694 -0.048 35 HG3 GLU 15 HG3 GLU 15 -0.755 7.957 0.126 36 H LEU 16 H LEU 16 -2.583 6.990 -1.613 37 HA LEU 16 HA LEU 16 -3.967 5.700 0.663 38 HB2 LEU 16 HB2 LEU 16 -4.358 8.050 0.202 39 HB3 LEU 16 HB3 LEU 16 -4.825 7.720 -1.453 40 HG LEU 16 HG LEU 16 -6.648 8.290 0.185 41 HD11 LEU 16 HD11 LEU 16 -7.149 5.608 -1.144 42 HD12 LEU 16 HD12 LEU 16 -7.103 7.167 -2.006 43 HD13 LEU 16 HD13 LEU 16 -8.308 6.876 -0.744 44 HD21 LEU 16 HD21 LEU 16 -7.564 6.589 1.638 45 HD22 LEU 16 HD22 LEU 16 -5.879 6.903 2.088 46 HD23 LEU 16 HD23 LEU 16 -6.305 5.434 1.184 47 H GLU 17 H GLU 17 -4.258 5.796 -2.928 48 HA GLU 17 HA GLU 17 -6.389 3.991 -2.995 49 HB2 GLU 17 HB2 GLU 17 -4.352 4.579 -5.173 50 HB3 GLU 17 HB3 GLU 17 -5.843 3.660 -5.406 51 HG2 GLU 17 HG2 GLU 17 -7.084 5.660 -4.383 52 HG3 GLU 17 HG3 GLU 17 -5.589 6.568 -4.585 53 H GLN 18 H GLN 18 -2.894 3.085 -3.351 54 HA GLN 18 HA GLN 18 -3.654 0.296 -3.658 55 HB2 GLN 18 HB2 GLN 18 -1.646 1.367 -4.708 56 HB3 GLN 18 HB3 GLN 18 -0.871 1.370 -3.114 57 HG2 GLN 18 HG2 GLN 18 -1.043 -1.098 -3.010 58 HG3 GLN 18 HG3 GLN 18 -1.994 -1.119 -4.496 59 HE21 GLN 18 HE21 GLN 18 -0.277 -2.725 -5.191 60 HE22 GLN 18 HE22 GLN 18 1.209 -2.038 -5.829 61 H TYR 19 H TYR 19 -2.792 2.282 -0.804 62 HA TYR 19 HA TYR 19 -2.481 0.043 1.000 63 HB2 TYR 19 HB2 TYR 19 -1.901 2.467 1.436 64 HB3 TYR 19 HB3 TYR 19 -3.614 2.787 1.670 65 HD1 TYR 19 HD2 TYR 19 -0.662 0.888 2.906 66 HD2 TYR 19 HD1 TYR 19 -4.655 2.234 3.832 67 HE1 TYR 19 HE2 TYR 19 -0.329 0.261 5.289 68 HE2 TYR 19 HE1 TYR 19 -4.321 1.587 6.211 69 HH TYR 19 HH TYR 19 -2.854 0.662 7.788 70 H GLY 20 H GLY 20 -5.333 1.905 -0.105 71 HA2 GLY 20 HA2 GLY 20 -7.396 0.496 1.232 72 HA3 GLY 20 HA3 GLY 20 -7.525 1.254 -0.364 73 H GLN 21 H GLN 21 -5.926 -0.276 -2.008 74 HA GLN 21 HA GLN 21 -7.471 -2.626 -2.470 75 HB2 GLN 21 HB2 GLN 21 -4.641 -1.939 -3.379 76 HB3 GLN 21 HB3 GLN 21 -5.553 -3.306 -3.984 77 HG2 GLN 21 HG2 GLN 21 -6.315 -0.356 -4.274 78 HG3 GLN 21 HG3 GLN 21 -5.613 -1.364 -5.522 79 HE21 GLN 21 HE21 GLN 21 -8.106 0.093 -5.810 80 HE22 GLN 21 HE22 GLN 21 -9.385 -1.093 -5.910 81 H CYS 22 H CYS 22 -4.363 -2.339 -0.685 82 HA CYS 22 HA CYS 22 -4.177 -5.225 -0.389 83 HB2 CYS 22 2HB CYS 22 -2.646 -2.956 0.908 84 HB3 CYS 22 3HB CYS 22 -2.253 -4.669 1.071 85 H VAL 23 H VAL 23 -5.381 -2.628 1.829 86 HA VAL 23 HA VAL 23 -5.885 -4.602 3.949 87 HB VAL 23 HB VAL 23 -6.755 -1.690 3.664 88 HG11 VAL 23 HG11 VAL 23 -7.065 -1.771 6.148 89 HG12 VAL 23 HG12 VAL 23 -8.223 -2.784 5.291 90 HG13 VAL 23 HG13 VAL 23 -6.824 -3.529 6.099 91 HG21 VAL 23 HG21 VAL 23 -4.279 -1.962 3.811 92 HG22 VAL 23 HG22 VAL 23 -4.939 -1.219 5.266 93 HG23 VAL 23 HG23 VAL 23 -4.488 -2.933 5.283 94 H ALA 24 H ALA 24 -7.928 -3.158 1.373 95 HA ALA 24 HA ALA 24 -10.416 -4.117 2.411 96 HB1 ALA 24 HB1 ALA 24 -10.202 -2.370 0.662 97 HB2 ALA 24 HB2 ALA 24 -9.577 -3.586 -0.476 98 HB3 ALA 24 HB3 ALA 24 -11.243 -3.702 0.131 99 H ALA 25 H ALA 25 -7.847 -5.778 0.650 100 HA ALA 25 HA ALA 25 -9.438 -8.089 -0.066 101 HB1 ALA 25 HB1 ALA 25 -7.223 -9.095 -0.540 102 HB2 ALA 25 HB2 ALA 25 -7.409 -7.488 -1.273 103 HB3 ALA 25 HB3 ALA 25 -6.430 -7.681 0.190 104 H LYS 26 H LYS 26 -6.982 -7.618 2.542 105 HA LYS 26 HA LYS 26 -8.641 -8.942 4.522 106 HB2 LYS 26 HB2 LYS 26 -6.015 -10.231 3.683 107 HB3 LYS 26 HB3 LYS 26 -6.776 -10.520 5.245 108 HG2 LYS 26 HG2 LYS 26 -8.864 -11.245 4.034 109 HG3 LYS 26 HG3 LYS 26 -7.894 -11.251 2.544 110 HD2 LYS 26 HD2 LYS 26 -7.082 -12.863 4.981 111 HD3 LYS 26 HD3 LYS 26 -8.240 -13.461 3.785 112 HE2 LYS 26 HE2 LYS 26 -6.591 -13.088 1.967 113 HE3 LYS 26 HE3 LYS 26 -5.395 -12.550 3.153 114 HZ1 LYS 26 HZ1 LYS 26 -6.672 -15.235 3.140 115 HZ2 LYS 26 HZ2 LYS 26 -5.495 -14.714 4.182 116 HZ3 LYS 26 HZ3 LYS 26 -5.169 -14.913 2.579 117 HA PRO 27 HA PRO 27 -6.059 -6.517 7.402 118 HB2 PRO 27 HB2 PRO 27 -6.437 -8.941 9.161 119 HB3 PRO 27 HB3 PRO 27 -6.555 -7.207 9.585 120 HG2 PRO 27 HG2 PRO 27 -8.806 -8.661 9.186 121 HG3 PRO 27 HG3 PRO 27 -8.678 -7.005 8.503 122 HD2 PRO 27 HD2 PRO 27 -8.282 -9.656 7.090 123 HD3 PRO 27 HD3 PRO 27 -9.154 -8.195 6.549 124 H GLU 28 H GLU 28 -5.242 -10.006 6.765 125 HA GLU 28 HA GLU 28 -2.409 -9.502 7.266 126 HB2 GLU 28 HB2 GLU 28 -1.998 -11.721 6.620 127 HB3 GLU 28 HB3 GLU 28 -3.464 -11.719 7.594 128 HG2 GLU 28 HG2 GLU 28 -4.811 -11.884 5.478 129 HG3 GLU 28 HG3 GLU 28 -3.315 -11.966 4.556 130 H SER 29 H SER 29 -4.428 -9.330 4.364 131 HA SER 29 HA SER 29 -2.362 -9.224 2.390 132 HB2 SER 29 HB2 SER 29 -5.178 -8.202 2.479 133 HB3 SER 29 HB3 SER 29 -4.155 -7.954 1.077 134 HG SER 29 HG SER 29 -4.196 -10.004 0.590 135 H TRP 30 H TRP 30 -3.476 -6.804 4.640 136 HA TRP 30 HA TRP 30 -2.314 -4.392 3.931 137 HB2 TRP 30 HB2 TRP 30 -3.362 -4.748 6.077 138 HB3 TRP 30 HB3 TRP 30 -2.272 -6.070 6.445 139 HD1 TRP 30 HD1 TRP 30 -2.166 -2.226 6.257 140 HE1 TRP 30 HE1 TRP 30 -0.260 -1.390 7.752 141 HE3 TRP 30 HE3 TRP 30 -0.188 -6.750 7.644 142 HZ2 TRP 30 HZ2 TRP 30 1.795 -2.549 9.436 143 HZ3 TRP 30 HZ3 TRP 30 1.788 -6.848 9.155 144 HH2 TRP 30 HH2 TRP 30 2.758 -4.758 10.081 145 H GLN 31 H GLN 31 -0.490 -7.288 5.058 146 HA GLN 31 HA GLN 31 2.034 -6.037 4.105 147 HB2 GLN 31 HB2 GLN 31 2.111 -7.026 6.349 148 HB3 GLN 31 HB3 GLN 31 1.674 -8.608 5.684 149 HG2 GLN 31 HG2 GLN 31 3.717 -8.676 4.361 150 HG3 GLN 31 HG3 GLN 31 4.109 -7.006 4.773 151 HE21 GLN 31 HE21 GLN 31 5.624 -9.552 5.118 152 HE22 GLN 31 HE22 GLN 31 6.093 -9.514 6.814 153 H ARG 32 H ARG 32 -0.135 -8.765 3.529 154 HA ARG 32 HA ARG 32 1.765 -10.157 1.887 155 HB2 ARG 32 HB2 ARG 32 0.285 -11.110 3.616 156 HB3 ARG 32 HB3 ARG 32 -1.105 -10.865 2.565 157 HG2 ARG 32 HG2 ARG 32 -0.258 -12.448 0.949 158 HG3 ARG 32 HG3 ARG 32 1.281 -12.600 1.827 159 HD2 ARG 32 HD2 ARG 32 0.201 -13.624 3.728 160 HD3 ARG 32 HD3 ARG 32 -1.408 -13.228 3.110 161 HE ARG 32 HE ARG 32 0.088 -14.895 1.258 162 HH11 ARG 32 HH11 ARG 32 -2.002 -15.155 4.165 163 HH12 ARG 32 HH12 ARG 32 -2.456 -16.774 3.656 164 HH21 ARG 32 HH21 ARG 32 -0.515 -17.049 0.939 165 HH22 ARG 32 HH22 ARG 32 -1.716 -17.721 2.025 166 H ASP 33 H ASP 33 -0.933 -8.114 0.871 167 HA ASP 33 HA ASP 33 -0.783 -9.225 -1.884 168 HB2 ASP 33 HB2 ASP 33 -2.757 -7.605 -0.396 169 HB3 ASP 33 HB3 ASP 33 -2.562 -7.114 -2.056 170 H CYS 34 H CYS 34 0.841 -6.799 -0.166 171 HA CYS 34 HA CYS 34 2.242 -6.037 -2.601 172 HB2 CYS 34 2HB CYS 34 1.968 -3.592 -2.186 173 HB3 CYS 34 3HB CYS 34 0.535 -4.401 -2.774 174 H HIS 35 H HIS 35 4.211 -6.750 -1.861 175 HA HIS 35 HA HIS 35 5.388 -5.315 0.500 176 HB2 HIS 35 2HB HIS 35 6.095 -7.570 0.515 177 HB3 HIS 35 3HB HIS 35 6.440 -7.565 -1.216 178 HD1 HIS 35 1HD HIS 35 8.924 -7.083 -1.828 179 HD2 HIS 35 2HD HIS 35 7.771 -5.615 1.941 180 HE1 HIS 35 1HE HIS 35 10.982 -5.964 -0.831 181 H TYR 36 H TYR 36 6.298 -5.857 -2.920 182 HA TYR 36 HA TYR 36 8.425 -4.020 -2.754 183 HB2 TYR 36 HB2 TYR 36 7.029 -4.966 -5.288 184 HB3 TYR 36 HB3 TYR 36 8.703 -4.440 -5.131 185 HD1 TYR 36 HD1 TYR 36 10.403 -5.938 -4.033 186 HD2 TYR 36 HD2 TYR 36 6.313 -7.166 -4.541 187 HE1 TYR 36 HE1 TYR 36 11.039 -8.291 -3.484 188 HE2 TYR 36 HE2 TYR 36 6.942 -9.494 -3.941 189 HH TYR 36 HH TYR 36 10.250 -10.509 -3.189 190 H LEU 37 H LEU 37 5.173 -3.605 -4.093 191 HA LEU 37 HA LEU 37 5.666 -0.807 -4.817 192 HB2 LEU 37 HB2 LEU 37 3.196 -2.550 -4.929 193 HB3 LEU 37 HB3 LEU 37 3.307 -0.914 -5.583 194 HG LEU 37 HG LEU 37 5.217 -3.126 -6.488 195 HD11 LEU 37 HD11 LEU 37 2.563 -2.373 -7.737 196 HD12 LEU 37 HD12 LEU 37 2.976 -3.905 -6.907 197 HD13 LEU 37 HD13 LEU 37 3.793 -3.475 -8.409 198 HD21 LEU 37 HD21 LEU 37 5.895 -0.802 -7.042 199 HD22 LEU 37 HD22 LEU 37 4.323 -0.549 -7.832 200 HD23 LEU 37 HD23 LEU 37 5.470 -1.736 -8.481 201 H LYS 38 H LYS 38 4.524 -2.462 -1.947 202 HA LYS 38 HA LYS 38 3.342 -0.088 -0.723 203 HB2 LYS 38 HB2 LYS 38 2.852 -2.358 0.074 204 HB3 LYS 38 HB3 LYS 38 4.518 -2.518 0.663 205 HG2 LYS 38 HG2 LYS 38 4.143 -0.572 2.176 206 HG3 LYS 38 HG3 LYS 38 2.495 -0.408 1.543 207 HD2 LYS 38 HD2 LYS 38 1.958 -2.693 2.404 208 HD3 LYS 38 HD3 LYS 38 3.604 -2.802 3.073 209 HE2 LYS 38 HE2 LYS 38 3.187 -0.796 4.462 210 HE3 LYS 38 HE3 LYS 38 1.560 -0.657 3.795 211 HZ1 LYS 38 HZ1 LYS 38 1.096 -2.885 4.777 212 HZ2 LYS 38 HZ2 LYS 38 1.528 -1.749 5.926 213 HZ3 LYS 38 HZ3 LYS 38 2.589 -2.900 5.452 214 H MET 39 H MET 39 6.629 -1.538 -0.777 215 HA MET 39 HA MET 39 7.919 0.640 0.614 216 HB2 MET 39 HB2 MET 39 9.065 -1.100 -1.603 217 HB3 MET 39 HB3 MET 39 9.975 -0.110 -0.474 218 HG2 MET 39 HG2 MET 39 8.318 -2.557 0.264 219 HG3 MET 39 HG3 MET 39 10.050 -2.499 0.054 220 HE1 MET 39 HE1 MET 39 7.693 -1.448 3.809 221 HE2 MET 39 HE2 MET 39 7.135 -0.770 2.270 222 HE3 MET 39 HE3 MET 39 7.248 -2.535 2.476 223 H SER 40 H SER 40 7.037 0.210 -2.843 224 HA SER 40 HA SER 40 8.320 2.616 -3.639 225 HB2 SER 40 HB2 SER 40 7.679 0.574 -5.080 226 HB3 SER 40 HB3 SER 40 6.112 1.398 -5.270 227 HG SER 40 HG SER 40 7.411 2.150 -6.892 228 H ILE 41 H ILE 41 4.957 2.162 -2.543 229 HA ILE 41 HA ILE 41 4.341 4.988 -3.089 230 HB ILE 41 HB ILE 41 2.328 4.686 -1.860 231 HG12 ILE 41 HG12 ILE 41 3.362 1.947 -1.142 232 HG13 ILE 41 HG13 ILE 41 3.023 3.256 -0.015 233 HG21 ILE 41 HG21 ILE 41 1.216 3.266 -3.405 234 HG22 ILE 41 HG22 ILE 41 2.651 3.864 -4.260 235 HG23 ILE 41 HG23 ILE 41 2.632 2.226 -3.607 236 HD11 ILE 41 HD11 ILE 41 0.952 1.690 -1.603 237 HD12 ILE 41 HD12 ILE 41 1.322 1.529 0.118 238 HD13 ILE 41 HD13 ILE 41 0.605 3.028 -0.475 239 H ALA 42 H ALA 42 5.563 3.158 -0.251 240 HA ALA 42 HA ALA 42 5.474 5.320 1.558 241 HB1 ALA 42 HB1 ALA 42 7.449 3.001 1.426 242 HB2 ALA 42 HB2 ALA 42 7.127 4.031 2.838 243 HB3 ALA 42 HB3 ALA 42 5.849 2.979 2.205 244 H GLN 43 H GLN 43 8.148 4.497 -0.773 245 HA GLN 43 HA GLN 43 9.752 6.734 0.084 246 HB2 GLN 43 HB2 GLN 43 11.125 6.331 -1.874 247 HB3 GLN 43 HB3 GLN 43 10.703 4.799 -1.107 248 HG2 GLN 43 HG2 GLN 43 8.906 4.490 -2.809 249 HG3 GLN 43 HG3 GLN 43 9.427 5.955 -3.631 250 HE21 GLN 43 HE21 GLN 43 9.339 3.464 -5.026 251 HE22 GLN 43 HE22 GLN 43 10.996 2.977 -5.313 252 H CYS 44 H CYS 44 6.898 6.760 -1.889 253 HA CYS 44 HA CYS 44 7.384 9.313 -3.174 254 HB2 CYS 44 2HB CYS 44 5.558 7.634 -3.784 255 HB3 CYS 44 3HB CYS 44 4.694 8.187 -2.347 256 H THR 45 H THR 45 5.634 8.421 -0.121 257 HA THR 45 HA THR 45 5.522 11.246 0.662 258 HB THR 45 HB THR 45 4.379 10.231 2.740 259 HG1 THR 45 HG1 THR 45 3.346 8.161 1.951 260 HG21 THR 45 HG21 THR 45 3.211 11.443 0.903 261 HG22 THR 45 HG22 THR 45 2.251 10.091 1.506 262 HG23 THR 45 HG23 THR 45 3.139 9.924 -0.015 263 H SER 46 H SER 46 7.593 8.555 1.484 264 HA SER 46 HA SER 46 8.803 9.826 3.771 265 HB2 SER 46 HB2 SER 46 8.705 7.379 3.445 266 HB3 SER 46 HB3 SER 46 9.908 7.540 2.150 267 HG SER 46 HG SER 46 11.249 8.606 3.751 268 H SER 47 H SER 47 8.919 11.029 0.806 269 HA SER 47 HA SER 47 11.714 11.378 0.241 270 HB2 SER 47 HB2 SER 47 10.806 13.019 -1.442 271 HB3 SER 47 HB3 SER 47 10.099 11.397 -1.527 272 HG SER 47 HG SER 47 8.219 12.191 -1.081 273 H HIS 48 H HIS 48 10.149 12.693 2.781 274 HA HIS 48 HA HIS 48 11.561 15.316 2.726 275 HB2 HIS 48 2HB HIS 48 9.195 14.633 4.476 276 HB3 HIS 48 3HB HIS 48 9.937 16.197 4.214 277 HD1 HIS 48 1HD HIS 48 8.317 17.668 2.753 278 HD2 HIS 48 2HD HIS 48 8.116 13.536 1.967 279 HE1 HIS 48 1HE HIS 48 6.484 17.357 1.047 280 HA PRO 49 HA PRO 49 12.796 13.467 7.017 281 HB2 PRO 49 HB2 PRO 49 12.243 10.856 7.626 282 HB3 PRO 49 HB3 PRO 49 11.103 12.193 7.962 283 HG2 PRO 49 HG2 PRO 49 11.163 10.373 5.524 284 HG3 PRO 49 HG3 PRO 49 9.777 10.698 6.615 285 HD2 PRO 49 HD2 PRO 49 10.007 12.072 4.356 286 HD3 PRO 49 HD3 PRO 49 9.576 12.931 5.857 287 H ILE 50 H ILE 50 14.524 11.816 7.659 288 HA ILE 50 HA ILE 50 16.085 10.907 5.264 289 HB ILE 50 HB ILE 50 18.114 11.729 6.474 290 HG12 ILE 50 HG12 ILE 50 16.175 13.434 8.111 291 HG13 ILE 50 HG13 ILE 50 16.952 11.990 8.754 292 HG21 ILE 50 HG21 ILE 50 17.864 13.995 5.614 293 HG22 ILE 50 HG22 ILE 50 17.044 12.867 4.533 294 HG23 ILE 50 HG23 ILE 50 16.096 13.863 5.658 295 HD11 ILE 50 HD11 ILE 50 18.190 13.944 9.456 296 HD12 ILE 50 HD12 ILE 50 19.189 13.006 8.327 297 HD13 ILE 50 HD13 ILE 50 18.380 14.498 7.786 298 H ILE 51 H ILE 51 14.894 8.882 5.928 299 HA ILE 51 HA ILE 51 15.776 7.576 8.397 300 HB ILE 51 HB ILE 51 14.024 6.512 6.166 301 HG12 ILE 51 HG12 ILE 51 12.916 8.468 6.956 302 HG13 ILE 51 HG13 ILE 51 12.103 7.071 7.626 303 HG21 ILE 51 HG21 ILE 51 14.427 5.586 9.048 304 HG22 ILE 51 HG22 ILE 51 13.179 4.969 7.948 305 HG23 ILE 51 HG23 ILE 51 14.887 4.710 7.582 306 HD11 ILE 51 HD11 ILE 51 13.260 7.458 9.816 307 HD12 ILE 51 HD12 ILE 51 14.005 8.921 9.126 308 HD13 ILE 51 HD13 ILE 51 12.248 8.817 9.303 309 H ARG 52 H ARG 52 17.771 6.823 8.490 310 HA ARG 52 HA ARG 52 19.401 6.294 6.225 311 HB2 ARG 52 HB2 ARG 52 21.123 5.754 7.776 312 HB3 ARG 52 HB3 ARG 52 20.157 7.059 8.460 313 HG2 ARG 52 HG2 ARG 52 18.869 5.158 9.721 314 HG3 ARG 52 HG3 ARG 52 20.229 4.127 9.253 315 HD2 ARG 52 HD2 ARG 52 21.748 5.804 10.379 316 HD3 ARG 52 HD3 ARG 52 20.298 6.661 10.937 317 HE ARG 52 HE ARG 52 20.602 3.750 11.550 318 HH11 ARG 52 HH11 ARG 52 20.335 6.990 12.977 319 HH12 ARG 52 HH12 ARG 52 20.620 6.328 14.564 320 HH21 ARG 52 HH21 ARG 52 20.819 3.064 13.481 321 HH22 ARG 52 HH22 ARG 52 20.881 4.150 14.866 322 H GLN 53 H GLN 53 17.508 4.001 8.139 323 HA GLN 53 HA GLN 53 18.825 1.623 7.328 324 HB2 GLN 53 HB2 GLN 53 15.899 2.057 8.112 325 HB3 GLN 53 HB3 GLN 53 16.684 0.499 7.975 326 HG2 GLN 53 HG2 GLN 53 16.720 0.878 10.258 327 HG3 GLN 53 HG3 GLN 53 18.357 1.292 9.761 328 HE21 GLN 53 HE21 GLN 53 17.947 2.326 12.121 329 HE22 GLN 53 HE22 GLN 53 17.409 4.014 12.024 330 H ILE 54 H ILE 54 16.165 3.389 5.728 331 HA ILE 54 HA ILE 54 16.069 1.393 3.550 332 HB ILE 54 HB ILE 54 14.357 2.802 2.538 333 HG12 ILE 54 HG12 ILE 54 14.526 4.532 5.039 334 HG13 ILE 54 HG13 ILE 54 15.087 5.024 3.439 335 HG21 ILE 54 HG21 ILE 54 13.868 0.952 4.152 336 HG22 ILE 54 HG22 ILE 54 13.769 2.148 5.461 337 HG23 ILE 54 HG23 ILE 54 12.612 2.187 4.114 338 HD11 ILE 54 HD11 ILE 54 12.757 4.767 2.568 339 HD12 ILE 54 HD12 ILE 54 12.211 4.451 4.234 340 HD13 ILE 54 HD13 ILE 54 12.937 6.012 3.820 341 H ARG 55 H ARG 55 17.421 4.654 4.082 342 HA ARG 55 HA ARG 55 18.233 5.082 1.354 343 HB2 ARG 55 HB2 ARG 55 19.303 6.151 3.993 344 HB3 ARG 55 HB3 ARG 55 19.892 6.681 2.414 345 HG2 ARG 55 HG2 ARG 55 17.680 7.507 1.781 346 HG3 ARG 55 HG3 ARG 55 16.961 6.865 3.256 347 HD2 ARG 55 HD2 ARG 55 17.286 9.250 3.530 348 HD3 ARG 55 HD3 ARG 55 18.357 8.380 4.625 349 HE ARG 55 HE ARG 55 20.206 9.217 3.537 350 HH11 ARG 55 HH11 ARG 55 17.403 10.132 1.593 351 HH12 ARG 55 HH12 ARG 55 18.386 11.102 0.521 352 HH21 ARG 55 HH21 ARG 55 21.384 10.094 1.916 353 HH22 ARG 55 HH22 ARG 55 20.630 11.114 0.724 354 H GLN 56 H GLN 56 19.945 3.431 4.039 355 HA GLN 56 HA GLN 56 22.293 2.764 2.549 356 HB2 GLN 56 HB2 GLN 56 22.120 2.648 5.000 357 HB3 GLN 56 HB3 GLN 56 20.927 1.346 4.881 358 HG2 GLN 56 HG2 GLN 56 22.627 -0.129 3.825 359 HG3 GLN 56 HG3 GLN 56 23.803 1.192 3.882 360 HE21 GLN 56 HE21 GLN 56 24.695 1.816 5.986 361 HE22 GLN 56 HE22 GLN 56 24.528 0.680 7.338 362 H ALA 57 H ALA 57 19.189 0.967 2.950 363 HA ALA 57 HA ALA 57 19.973 -1.340 1.466 364 HB1 ALA 57 HB1 ALA 57 18.101 -1.247 3.081 365 HB2 ALA 57 HB2 ALA 57 17.210 -0.150 2.001 366 HB3 ALA 57 HB3 ALA 57 17.547 -1.816 1.498 367 H CYS 58 H CYS 58 18.608 1.741 0.430 368 HA CYS 58 HA CYS 58 18.071 0.864 -2.300 369 HB2 CYS 58 2HB CYS 58 16.677 2.351 -0.717 370 HB3 CYS 58 3HB CYS 58 17.809 3.633 -1.119 371 H ALA 59 H ALA 59 21.018 1.363 -1.164 372 HA ALA 59 HA ALA 59 22.003 3.713 -2.275 373 HB1 ALA 59 HB1 ALA 59 23.079 2.466 -0.489 374 HB2 ALA 59 HB2 ALA 59 23.454 1.136 -1.609 375 HB3 ALA 59 HB3 ALA 59 24.219 2.727 -1.821 376 H GLN 60 H GLN 60 22.092 0.482 -3.982 377 HA GLN 60 HA GLN 60 23.534 1.703 -6.218 378 HB2 GLN 60 HB2 GLN 60 22.234 -1.019 -5.950 379 HB3 GLN 60 HB3 GLN 60 22.972 -0.424 -7.434 380 HG2 GLN 60 HG2 GLN 60 24.698 -1.636 -6.477 381 HG3 GLN 60 HG3 GLN 60 25.106 0.028 -6.069 382 HE21 GLN 60 HE21 GLN 60 23.717 -3.007 -4.814 383 HE22 GLN 60 HE22 GLN 60 23.924 -2.601 -3.109 384 HA PRO 61 HA PRO 61 19.112 2.214 -8.162 385 HB2 PRO 61 HB2 PRO 61 17.800 2.756 -5.488 386 HB3 PRO 61 HB3 PRO 61 17.048 2.248 -7.028 387 HG2 PRO 61 HG2 PRO 61 17.586 0.428 -5.078 388 HG3 PRO 61 HG3 PRO 61 17.921 0.030 -6.802 389 HD2 PRO 61 HD2 PRO 61 19.827 0.817 -4.625 390 HD3 PRO 61 HD3 PRO 61 20.037 -0.347 -5.949 391 H PHE 62 H PHE 62 20.058 3.925 -5.097 392 HA PHE 62 HA PHE 62 19.616 6.583 -6.093 393 HB2 PHE 62 HB2 PHE 62 21.218 5.365 -3.862 394 HB3 PHE 62 HB3 PHE 62 21.665 6.967 -4.393 395 HD1 PHE 62 HD1 PHE 62 18.487 5.115 -3.473 396 HD2 PHE 62 HD2 PHE 62 20.746 8.781 -3.288 397 HE1 PHE 62 HE1 PHE 62 16.782 6.088 -1.959 398 HE2 PHE 62 HE2 PHE 62 19.022 9.762 -1.804 399 HZ PHE 62 HZ PHE 62 17.045 8.418 -1.124 400 H GLU 63 H GLU 63 22.630 4.586 -6.089 401 HA GLU 63 HA GLU 63 24.312 6.364 -7.379 402 HB2 GLU 63 HB2 GLU 63 24.944 4.190 -6.361 403 HB3 GLU 63 HB3 GLU 63 24.275 3.347 -7.770 404 HG2 GLU 63 HG2 GLU 63 25.899 4.401 -9.245 405 HG3 GLU 63 HG3 GLU 63 26.436 5.476 -7.946 406 H ALA 64 H ALA 64 21.909 4.272 -8.965 407 HA ALA 64 HA ALA 64 22.735 4.953 -11.669 408 HB1 ALA 64 HB1 ALA 64 20.235 3.598 -10.563 409 HB2 ALA 64 HB2 ALA 64 20.723 3.640 -12.271 410 HB3 ALA 64 HB3 ALA 64 21.729 2.784 -11.086 411 H PHE 65 H PHE 65 20.564 6.520 -9.382 412 HA PHE 65 HA PHE 65 19.146 8.060 -11.488 413 HB2 PHE 65 HB2 PHE 65 17.584 8.117 -9.926 414 HB3 PHE 65 HB3 PHE 65 18.617 7.337 -8.750 415 HD1 PHE 65 HD2 PHE 65 17.322 10.589 -9.942 416 HD2 PHE 65 HD1 PHE 65 19.795 8.652 -7.009 417 HE1 PHE 65 HE2 PHE 65 17.337 12.663 -8.551 418 HE2 PHE 65 HE1 PHE 65 19.812 10.703 -5.642 419 HZ PHE 65 HZ PHE 65 18.561 12.714 -6.406 420 H GLU 66 H GLU 66 21.556 8.559 -8.915 421 HA GLU 66 HA GLU 66 21.864 11.341 -9.522 422 HB2 GLU 66 HB2 GLU 66 23.327 11.384 -7.731 423 HB3 GLU 66 HB3 GLU 66 22.125 10.165 -7.315 424 HG2 GLU 66 HG2 GLU 66 23.740 8.384 -7.925 425 HG3 GLU 66 HG3 GLU 66 24.930 9.596 -8.383 426 H GLU 67 H GLU 67 23.269 8.524 -10.917 427 HA GLU 67 HA GLU 67 25.352 9.830 -12.479 428 HB2 GLU 67 HB2 GLU 67 25.234 7.381 -11.847 429 HB3 GLU 67 HB3 GLU 67 23.855 7.211 -12.913 430 HG2 GLU 67 HG2 GLU 67 25.776 6.345 -14.015 431 HG3 GLU 67 HG3 GLU 67 25.320 7.821 -14.845 432 H CYS 68 H CYS 68 21.828 9.397 -12.929 433 HA CYS 68 HA CYS 68 21.859 9.960 -15.783 434 HB2 CYS 68 2HB CYS 68 19.741 9.808 -13.663 435 HB3 CYS 68 3HB CYS 68 19.380 10.712 -15.125 436 H LEU 69 H LEU 69 21.031 12.115 -12.967 437 HA LEU 69 HA LEU 69 21.039 14.459 -14.570 438 HB2 LEU 69 HB2 LEU 69 21.535 14.260 -11.581 439 HB3 LEU 69 HB3 LEU 69 20.961 15.673 -12.468 440 HG LEU 69 HG LEU 69 19.403 13.076 -12.097 441 HD11 LEU 69 HD11 LEU 69 17.992 14.458 -10.599 442 HD12 LEU 69 HD12 LEU 69 19.100 15.823 -10.823 443 HD13 LEU 69 HD13 LEU 69 19.656 14.343 -10.013 444 HD21 LEU 69 HD21 LEU 69 17.484 14.311 -13.006 445 HD22 LEU 69 HD22 LEU 69 18.768 14.250 -14.209 446 HD23 LEU 69 HD23 LEU 69 18.485 15.740 -13.265 447 H ARG 70 H ARG 70 23.772 12.707 -13.259 448 HA ARG 70 HA ARG 70 25.723 14.820 -13.403 449 HB2 ARG 70 HB2 ARG 70 25.987 12.556 -12.322 450 HB3 ARG 70 HB3 ARG 70 26.164 11.855 -13.937 451 HG2 ARG 70 HG2 ARG 70 28.179 13.244 -14.326 452 HG3 ARG 70 HG3 ARG 70 27.947 14.033 -12.750 453 HD2 ARG 70 HD2 ARG 70 28.127 11.816 -11.642 454 HD3 ARG 70 HD3 ARG 70 28.452 11.051 -13.188 455 HE ARG 70 HE ARG 70 30.322 12.586 -11.550 456 HH11 ARG 70 HH11 ARG 70 29.785 11.477 -14.855 457 HH12 ARG 70 HH12 ARG 70 31.506 11.407 -15.156 458 HH21 ARG 70 HH21 ARG 70 32.373 12.591 -12.045 459 HH22 ARG 70 HH22 ARG 70 32.971 12.104 -13.627 460 H GLN 71 H GLN 71 24.394 12.684 -15.941 461 HA GLN 71 HA GLN 71 26.039 14.043 -18.000 462 HB2 GLN 71 HB2 GLN 71 26.061 11.635 -17.921 463 HB3 GLN 71 HB3 GLN 71 24.290 11.561 -17.961 464 HG2 GLN 71 HG2 GLN 71 24.216 12.442 -20.177 465 HG3 GLN 71 HG3 GLN 71 25.963 12.728 -20.224 466 HE21 GLN 71 HE21 GLN 71 23.870 10.808 -21.691 467 HE22 GLN 71 HE22 GLN 71 24.765 9.284 -21.690 468 H ASN 72 H ASN 72 22.598 13.580 -17.142 469 HA ASN 72 HA ASN 72 21.783 15.627 -19.132 470 HB2 ASN 72 HB2 ASN 72 19.927 14.100 -19.814 471 HB3 ASN 72 HB3 ASN 72 21.538 13.638 -20.319 472 HD21 ASN 72 HD21 ASN 72 19.144 13.019 -17.740 473 HD22 ASN 72 HD22 ASN 72 19.439 11.272 -17.710 474 H GLU 73 H GLU 73 21.898 16.704 -16.839 475 HA GLU 73 HA GLU 73 19.911 16.232 -14.906 476 HB2 GLU 73 HB2 GLU 73 20.476 18.369 -13.992 477 HB3 GLU 73 HB3 GLU 73 21.944 17.638 -14.597 478 HG2 GLU 73 HG2 GLU 73 21.700 19.061 -16.693 479 HG3 GLU 73 HG3 GLU 73 20.382 19.907 -15.878 480 H ALA 74 H ALA 74 19.579 18.018 -17.923 481 HA ALA 74 HA ALA 74 16.729 18.693 -17.300 482 HB1 ALA 74 HB1 ALA 74 18.726 20.182 -19.052 483 HB2 ALA 74 HB2 ALA 74 17.027 20.626 -18.787 484 HB3 ALA 74 HB3 ALA 74 18.172 20.676 -17.436 485 H ALA 75 H ALA 75 18.864 17.034 -19.485 486 HA ALA 75 HA ALA 75 16.827 16.612 -21.573 487 HB1 ALA 75 HB1 ALA 75 18.613 15.228 -22.640 488 HB2 ALA 75 HB2 ALA 75 19.046 16.925 -22.381 489 HB3 ALA 75 HB3 ALA 75 19.704 15.680 -21.312 490 H VAL 76 H VAL 76 15.759 16.017 -19.379 491 HA VAL 76 HA VAL 76 16.103 13.387 -18.296 492 HB VAL 76 HB VAL 76 14.591 15.860 -17.786 493 HG11 VAL 76 HG11 VAL 76 13.027 14.972 -16.194 494 HG12 VAL 76 HG12 VAL 76 12.636 14.481 -17.846 495 HG13 VAL 76 HG13 VAL 76 13.388 13.316 -16.727 496 HG21 VAL 76 HG21 VAL 76 15.286 15.372 -15.476 497 HG22 VAL 76 HG22 VAL 76 15.864 13.775 -15.972 498 HG23 VAL 76 HG23 VAL 76 16.651 15.237 -16.597 499 H GLY 77 H GLY 77 14.611 14.281 -21.173 500 HA2 GLY 77 HA2 GLY 77 12.677 12.124 -21.426 501 HA3 GLY 77 HA3 GLY 77 13.518 12.987 -22.719 502 H ASN 78 H ASN 78 16.246 12.232 -21.385 503 HA ASN 78 HA ASN 78 16.466 9.532 -22.550 504 HB2 ASN 78 HB2 ASN 78 18.501 11.462 -21.368 505 HB3 ASN 78 HB3 ASN 78 18.893 9.858 -21.984 506 HD21 ASN 78 HD21 ASN 78 18.420 9.381 -24.284 507 HD22 ASN 78 HD22 ASN 78 18.479 10.740 -25.413 508 H CYS 79 H CYS 79 16.506 10.920 -19.260 509 HA CYS 79 HA CYS 79 15.219 8.605 -18.282 510 HB2 CYS 79 2HB CYS 79 16.872 8.114 -16.411 511 HB3 CYS 79 3HB CYS 79 17.197 7.427 -17.987 512 H ALA 80 H ALA 80 14.163 9.001 -16.316 513 HA ALA 80 HA ALA 80 14.271 11.834 -15.416 514 HB1 ALA 80 HB1 ALA 80 11.909 11.527 -14.843 515 HB2 ALA 80 HB2 ALA 80 12.206 11.130 -16.546 516 HB3 ALA 80 HB3 ALA 80 11.988 9.828 -15.359 517 H GLU 81 H GLU 81 14.205 12.417 -13.280 518 HA GLU 81 HA GLU 81 15.960 10.738 -11.817 519 HB2 GLU 81 HB2 GLU 81 15.699 12.617 -10.026 520 HB3 GLU 81 HB3 GLU 81 16.570 12.839 -11.524 521 HG2 GLU 81 HG2 GLU 81 15.392 14.837 -11.110 522 HG3 GLU 81 HG3 GLU 81 14.598 14.070 -12.472 523 H HIS 82 H HIS 82 12.675 11.779 -10.726 524 HA HIS 82 HA HIS 82 12.660 10.066 -8.426 525 HB2 HIS 82 2HB HIS 82 10.554 11.425 -10.134 526 HB3 HIS 82 3HB HIS 82 10.058 10.182 -9.001 527 HD1 HIS 82 1HD HIS 82 12.150 13.498 -8.670 528 HD2 HIS 82 2HD HIS 82 9.336 11.019 -6.734 529 HE1 HIS 82 1HE HIS 82 11.506 14.683 -6.514 530 H MET 83 H MET 83 11.494 9.492 -11.776 531 HA MET 83 HA MET 83 10.369 6.969 -11.214 532 HB2 MET 83 HB2 MET 83 11.343 8.075 -13.880 533 HB3 MET 83 HB3 MET 83 10.321 6.654 -13.643 534 HG2 MET 83 HG2 MET 83 8.808 8.355 -14.170 535 HG3 MET 83 HG3 MET 83 8.657 8.139 -12.436 536 HE1 MET 83 HE1 MET 83 7.421 10.584 -13.998 537 HE2 MET 83 HE2 MET 83 7.308 10.327 -12.243 538 HE3 MET 83 HE3 MET 83 7.823 11.904 -12.881 539 H ARG 84 H ARG 84 13.676 7.662 -12.576 540 HA ARG 84 HA ARG 84 14.399 4.867 -12.704 541 HB2 ARG 84 HB2 ARG 84 16.066 7.413 -12.413 542 HB3 ARG 84 HB3 ARG 84 16.804 5.819 -12.393 543 HG2 ARG 84 HG2 ARG 84 15.271 7.018 -14.716 544 HG3 ARG 84 HG3 ARG 84 17.015 6.785 -14.570 545 HD2 ARG 84 HD2 ARG 84 16.510 4.272 -14.292 546 HD3 ARG 84 HD3 ARG 84 14.879 4.640 -14.852 547 HE ARG 84 HE ARG 84 17.440 4.906 -16.380 548 HH11 ARG 84 HH11 ARG 84 13.903 4.544 -16.590 549 HH12 ARG 84 HH12 ARG 84 14.038 4.132 -18.285 550 HH21 ARG 84 HH21 ARG 84 17.327 4.827 -18.633 551 HH22 ARG 84 HH22 ARG 84 15.788 4.375 -19.347 552 H ARG 85 H ARG 85 14.836 7.241 -10.028 553 HA ARG 85 HA ARG 85 16.198 5.325 -8.365 554 HB2 ARG 85 HB2 ARG 85 16.239 7.830 -8.074 555 HB3 ARG 85 HB3 ARG 85 14.575 7.779 -7.507 556 HG2 ARG 85 HG2 ARG 85 15.186 6.551 -5.547 557 HG3 ARG 85 HG3 ARG 85 16.774 6.139 -6.185 558 HD2 ARG 85 HD2 ARG 85 16.860 7.874 -4.404 559 HD3 ARG 85 HD3 ARG 85 17.615 8.354 -5.906 560 HE ARG 85 HE ARG 85 16.194 10.144 -5.990 561 HH11 ARG 85 HH11 ARG 85 14.460 7.785 -3.934 562 HH12 ARG 85 HH12 ARG 85 13.346 9.027 -3.440 563 HH21 ARG 85 HH21 ARG 85 14.721 11.573 -5.243 564 HH22 ARG 85 HH22 ARG 85 13.393 11.033 -4.254 565 H PHE 86 H PHE 86 12.737 6.207 -8.526 566 HA PHE 86 HA PHE 86 11.963 4.516 -6.386 567 HB2 PHE 86 HB2 PHE 86 10.433 5.734 -8.710 568 HB3 PHE 86 HB3 PHE 86 9.666 4.659 -7.568 569 HD1 PHE 86 HD2 PHE 86 12.186 7.279 -6.511 570 HD2 PHE 86 HD1 PHE 86 8.032 6.137 -6.777 571 HE1 PHE 86 HE2 PHE 86 11.566 9.195 -5.101 572 HE2 PHE 86 HE1 PHE 86 7.423 8.059 -5.345 573 HZ PHE 86 HZ PHE 86 9.195 9.597 -4.496 574 H LEU 87 H LEU 87 11.789 3.899 -9.957 575 HA LEU 87 HA LEU 87 10.702 1.248 -9.600 576 HB2 LEU 87 HB2 LEU 87 12.054 2.607 -11.972 577 HB3 LEU 87 HB3 LEU 87 11.359 1.001 -12.033 578 HG LEU 87 HG LEU 87 9.832 3.595 -11.557 579 HD11 LEU 87 HD11 LEU 87 8.813 2.997 -13.729 580 HD12 LEU 87 HD12 LEU 87 9.821 1.534 -13.812 581 HD13 LEU 87 HD13 LEU 87 10.572 3.142 -13.873 582 HD21 LEU 87 HD21 LEU 87 8.802 0.723 -11.630 583 HD22 LEU 87 HD22 LEU 87 7.788 2.177 -11.730 584 HD23 LEU 87 HD23 LEU 87 8.700 1.860 -10.258 585 H GLN 88 H GLN 88 14.096 2.401 -9.936 586 HA GLN 88 HA GLN 88 15.075 -0.337 -10.165 587 HB2 GLN 88 HB2 GLN 88 16.413 2.304 -9.526 588 HB3 GLN 88 HB3 GLN 88 17.299 0.789 -9.555 589 HG2 GLN 88 HG2 GLN 88 15.683 1.844 -11.926 590 HG3 GLN 88 HG3 GLN 88 17.411 2.086 -11.710 591 HE21 GLN 88 HE21 GLN 88 16.590 0.833 -14.044 592 HE22 GLN 88 HE22 GLN 88 17.226 -0.790 -13.964 593 H CYS 89 H CYS 89 14.359 1.828 -7.396 594 HA CYS 89 HA CYS 89 15.544 0.006 -5.502 595 HB2 CYS 89 2HB CYS 89 15.104 2.522 -5.305 596 HB3 CYS 89 3HB CYS 89 13.467 2.091 -4.830 597 H ALA 90 H ALA 90 12.165 0.384 -6.669 598 HA ALA 90 HA ALA 90 11.020 -1.659 -5.048 599 HB1 ALA 90 HB1 ALA 90 9.759 0.003 -6.381 600 HB2 ALA 90 HB2 ALA 90 10.313 -0.774 -7.881 601 HB3 ALA 90 HB3 ALA 90 9.251 -1.654 -6.757 602 H GLU 91 H GLU 91 13.098 -1.956 -7.874 603 HA GLU 91 HA GLU 91 12.731 -4.893 -8.037 604 HB2 GLU 91 HB2 GLU 91 12.734 -3.423 -10.018 605 HB3 GLU 91 HB3 GLU 91 14.421 -3.007 -9.713 606 HG2 GLU 91 HG2 GLU 91 15.162 -5.227 -10.221 607 HG3 GLU 91 HG3 GLU 91 13.535 -5.899 -10.031 608 H GLN 92 H GLN 92 14.659 -2.803 -6.211 609 HA GLN 92 HA GLN 92 16.959 -4.671 -6.005 610 HB2 GLN 92 HB2 GLN 92 17.286 -2.201 -6.282 611 HB3 GLN 92 HB3 GLN 92 16.468 -1.956 -4.742 612 HG2 GLN 92 HG2 GLN 92 18.722 -1.764 -4.231 613 HG3 GLN 92 HG3 GLN 92 18.334 -3.372 -3.671 614 HE21 GLN 92 HE21 GLN 92 20.982 -2.631 -4.093 615 HE22 GLN 92 HE22 GLN 92 21.592 -3.535 -5.483 616 H VAL 93 H VAL 93 14.215 -3.450 -4.025 617 HA VAL 93 HA VAL 93 15.234 -4.715 -1.617 618 HB VAL 93 HB VAL 93 13.168 -4.026 -0.529 619 HG11 VAL 93 HG11 VAL 93 13.608 -1.633 -0.633 620 HG12 VAL 93 HG12 VAL 93 15.130 -2.534 -0.692 621 HG13 VAL 93 HG13 VAL 93 14.464 -1.816 -2.175 622 HG21 VAL 93 HG21 VAL 93 12.333 -2.922 -3.244 623 HG22 VAL 93 HG22 VAL 93 11.474 -4.123 -2.271 624 HG23 VAL 93 HG23 VAL 93 11.610 -2.461 -1.697 Start of MODEL 12 1 H TYR 11 H TYR 11 -0.049 15.015 1.422 2 HA TYR 11 HA TYR 11 2.016 13.580 -0.027 3 HB2 TYR 11 HB2 TYR 11 1.394 11.650 1.188 4 HB3 TYR 11 HB3 TYR 11 1.377 13.008 2.287 5 HD1 TYR 11 HD1 TYR 11 -0.840 10.713 0.280 6 HD2 TYR 11 HD2 TYR 11 -0.544 13.423 3.628 7 HE1 TYR 11 HE1 TYR 11 -3.094 10.020 1.047 8 HE2 TYR 11 HE2 TYR 11 -2.801 12.738 4.376 9 HH TYR 11 HH TYR 11 -4.616 11.395 3.983 10 H CYS 12 H CYS 12 1.480 11.429 -1.172 11 HA CYS 12 HA CYS 12 -0.075 12.350 -3.498 12 HB2 CYS 12 2HB CYS 12 1.423 10.809 -4.694 13 HB3 CYS 12 3HB CYS 12 2.286 11.988 -3.725 14 H GLY 13 H GLY 13 -1.617 11.174 -4.592 15 HA2 GLY 13 HA2 GLY 13 -3.455 9.818 -2.983 16 HA3 GLY 13 HA3 GLY 13 -3.478 9.869 -4.752 17 H ARG 14 H ARG 14 -0.960 8.379 -5.111 18 HA ARG 14 HA ARG 14 -1.945 5.725 -5.068 19 HB2 ARG 14 HB2 ARG 14 0.139 5.033 -5.920 20 HB3 ARG 14 HB3 ARG 14 -0.257 6.586 -6.605 21 HG2 ARG 14 HG2 ARG 14 2.007 6.824 -6.207 22 HG3 ARG 14 HG3 ARG 14 1.321 7.611 -4.790 23 HD2 ARG 14 HD2 ARG 14 3.264 6.248 -4.257 24 HD3 ARG 14 HD3 ARG 14 1.836 5.598 -3.470 25 HE ARG 14 HE ARG 14 1.861 3.707 -4.941 26 HH11 ARG 14 HH11 ARG 14 4.566 5.819 -5.887 27 HH12 ARG 14 HH12 ARG 14 5.351 4.469 -6.670 28 HH21 ARG 14 HH21 ARG 14 2.903 2.187 -5.972 29 HH22 ARG 14 HH22 ARG 14 4.556 2.482 -6.544 30 H GLU 15 H GLU 15 -0.449 7.399 -2.360 31 HA GLU 15 HA GLU 15 0.212 4.865 -1.033 32 HB2 GLU 15 HB2 GLU 15 1.163 6.069 0.657 33 HB3 GLU 15 HB3 GLU 15 1.333 7.193 -0.675 34 HG2 GLU 15 HG2 GLU 15 0.547 8.648 0.899 35 HG3 GLU 15 HG3 GLU 15 -1.005 8.124 0.256 36 H LEU 16 H LEU 16 -2.634 6.840 -1.245 37 HA LEU 16 HA LEU 16 -3.996 5.382 0.929 38 HB2 LEU 16 HB2 LEU 16 -4.322 7.817 0.646 39 HB3 LEU 16 HB3 LEU 16 -4.951 7.549 -0.981 40 HG LEU 16 HG LEU 16 -6.861 6.264 -0.024 41 HD11 LEU 16 HD11 LEU 16 -5.687 7.105 2.666 42 HD12 LEU 16 HD12 LEU 16 -5.896 5.439 2.080 43 HD13 LEU 16 HD13 LEU 16 -7.314 6.430 2.422 44 HD21 LEU 16 HD21 LEU 16 -8.018 8.206 0.953 45 HD22 LEU 16 HD22 LEU 16 -7.068 8.664 -0.464 46 HD23 LEU 16 HD23 LEU 16 -6.461 9.042 1.167 47 H GLU 17 H GLU 17 -4.117 5.694 -2.638 48 HA GLU 17 HA GLU 17 -6.253 3.836 -3.053 49 HB2 GLU 17 HB2 GLU 17 -3.991 4.759 -4.868 50 HB3 GLU 17 HB3 GLU 17 -5.295 3.685 -5.389 51 HG2 GLU 17 HG2 GLU 17 -6.975 5.389 -4.811 52 HG3 GLU 17 HG3 GLU 17 -5.703 6.491 -4.281 53 H GLN 18 H GLN 18 -2.656 3.262 -3.169 54 HA GLN 18 HA GLN 18 -3.140 0.455 -3.775 55 HB2 GLN 18 HB2 GLN 18 -0.556 1.897 -3.103 56 HB3 GLN 18 HB3 GLN 18 -0.697 0.226 -3.645 57 HG2 GLN 18 HG2 GLN 18 -1.932 1.101 -5.698 58 HG3 GLN 18 HG3 GLN 18 -1.459 2.727 -5.230 59 HE21 GLN 18 HE21 GLN 18 -0.792 1.109 -7.638 60 HE22 GLN 18 HE22 GLN 18 0.950 0.884 -7.667 61 H TYR 19 H TYR 19 -2.482 2.259 -0.781 62 HA TYR 19 HA TYR 19 -2.371 0.013 1.015 63 HB2 TYR 19 HB2 TYR 19 -1.906 2.247 1.776 64 HB3 TYR 19 HB3 TYR 19 -3.475 2.836 1.236 65 HD1 TYR 19 HD1 TYR 19 -1.703 0.905 3.835 66 HD2 TYR 19 HD2 TYR 19 -5.475 2.568 2.579 67 HE1 TYR 19 HE1 TYR 19 -2.665 0.407 6.083 68 HE2 TYR 19 HE2 TYR 19 -6.412 2.140 4.851 69 HH TYR 19 HH TYR 19 -4.515 0.561 7.441 70 H GLY 20 H GLY 20 -5.157 1.842 -0.345 71 HA2 GLY 20 HA2 GLY 20 -7.280 0.537 0.870 72 HA3 GLY 20 HA3 GLY 20 -7.323 1.272 -0.736 73 H GLN 21 H GLN 21 -5.736 -0.434 -2.251 74 HA GLN 21 HA GLN 21 -7.415 -2.702 -2.779 75 HB2 GLN 21 HB2 GLN 21 -4.916 -1.522 -3.788 76 HB3 GLN 21 HB3 GLN 21 -4.770 -3.274 -3.742 77 HG2 GLN 21 HG2 GLN 21 -7.095 -1.794 -5.067 78 HG3 GLN 21 HG3 GLN 21 -5.631 -2.278 -5.918 79 HE21 GLN 21 HE21 GLN 21 -8.125 -3.198 -6.808 80 HE22 GLN 21 HE22 GLN 21 -8.300 -4.894 -6.342 81 H CYS 22 H CYS 22 -4.250 -2.568 -1.120 82 HA CYS 22 HA CYS 22 -4.203 -5.406 -0.677 83 HB2 CYS 22 2HB CYS 22 -2.561 -3.055 0.300 84 HB3 CYS 22 3HB CYS 22 -2.208 -4.724 0.769 85 H VAL 23 H VAL 23 -5.240 -2.688 1.458 86 HA VAL 23 HA VAL 23 -5.693 -4.523 3.680 87 HB VAL 23 HB VAL 23 -5.050 -2.053 3.816 88 HG11 VAL 23 HG11 VAL 23 -6.814 -0.421 4.006 89 HG12 VAL 23 HG12 VAL 23 -6.937 -1.170 2.408 90 HG13 VAL 23 HG13 VAL 23 -8.070 -1.627 3.699 91 HG21 VAL 23 HG21 VAL 23 -7.292 -3.078 5.598 92 HG22 VAL 23 HG22 VAL 23 -5.563 -3.454 5.765 93 HG23 VAL 23 HG23 VAL 23 -6.130 -1.792 5.982 94 H ALA 24 H ALA 24 -7.813 -3.285 1.070 95 HA ALA 24 HA ALA 24 -10.244 -4.175 2.377 96 HB1 ALA 24 HB1 ALA 24 -10.241 -2.388 0.708 97 HB2 ALA 24 HB2 ALA 24 -9.684 -3.532 -0.543 98 HB3 ALA 24 HB3 ALA 24 -11.285 -3.722 0.199 99 H ALA 25 H ALA 25 -7.785 -5.882 0.654 100 HA ALA 25 HA ALA 25 -9.410 -8.165 -0.131 101 HB1 ALA 25 HB1 ALA 25 -7.266 -9.126 -0.748 102 HB2 ALA 25 HB2 ALA 25 -7.339 -7.448 -1.310 103 HB3 ALA 25 HB3 ALA 25 -6.386 -7.847 0.126 104 H LYS 26 H LYS 26 -6.944 -7.657 2.413 105 HA LYS 26 HA LYS 26 -8.633 -8.857 4.453 106 HB2 LYS 26 HB2 LYS 26 -5.781 -9.905 4.092 107 HB3 LYS 26 HB3 LYS 26 -6.840 -10.221 5.459 108 HG2 LYS 26 HG2 LYS 26 -8.378 -11.457 3.915 109 HG3 LYS 26 HG3 LYS 26 -7.164 -11.250 2.630 110 HD2 LYS 26 HD2 LYS 26 -5.469 -12.373 4.069 111 HD3 LYS 26 HD3 LYS 26 -6.697 -12.595 5.337 112 HE2 LYS 26 HE2 LYS 26 -8.053 -13.957 3.737 113 HE3 LYS 26 HE3 LYS 26 -6.768 -13.770 2.528 114 HZ1 LYS 26 HZ1 LYS 26 -6.500 -15.845 3.697 115 HZ2 LYS 26 HZ2 LYS 26 -6.482 -15.123 5.164 116 HZ3 LYS 26 HZ3 LYS 26 -5.247 -14.849 4.155 117 HA PRO 27 HA PRO 27 -6.244 -5.724 6.843 118 HB2 PRO 27 HB2 PRO 27 -6.408 -7.831 9.005 119 HB3 PRO 27 HB3 PRO 27 -6.682 -6.063 9.128 120 HG2 PRO 27 HG2 PRO 27 -8.793 -7.755 9.062 121 HG3 PRO 27 HG3 PRO 27 -8.831 -6.254 8.079 122 HD2 PRO 27 HD2 PRO 27 -8.144 -9.069 7.182 123 HD3 PRO 27 HD3 PRO 27 -9.224 -7.875 6.405 124 H GLU 28 H GLU 28 -5.425 -9.229 6.968 125 HA GLU 28 HA GLU 28 -2.617 -8.922 7.486 126 HB2 GLU 28 HB2 GLU 28 -3.973 -11.204 5.990 127 HB3 GLU 28 HB3 GLU 28 -2.437 -11.226 6.855 128 HG2 GLU 28 HG2 GLU 28 -3.824 -10.656 8.970 129 HG3 GLU 28 HG3 GLU 28 -5.235 -11.065 8.007 130 H SER 29 H SER 29 -4.423 -8.501 4.520 131 HA SER 29 HA SER 29 -2.192 -9.151 2.763 132 HB2 SER 29 HB2 SER 29 -5.016 -8.252 2.250 133 HB3 SER 29 HB3 SER 29 -3.805 -8.353 0.965 134 HG SER 29 HG SER 29 -4.702 -10.343 1.001 135 H TRP 30 H TRP 30 -3.063 -6.293 4.454 136 HA TRP 30 HA TRP 30 -1.732 -4.329 2.840 137 HB2 TRP 30 HB2 TRP 30 -2.871 -3.714 4.883 138 HB3 TRP 30 HB3 TRP 30 -1.824 -4.756 5.841 139 HD1 TRP 30 HD1 TRP 30 -1.755 -1.457 3.900 140 HE1 TRP 30 HE1 TRP 30 0.233 -0.005 4.710 141 HE3 TRP 30 HE3 TRP 30 0.525 -4.860 6.967 142 HZ2 TRP 30 HZ2 TRP 30 2.454 -0.292 6.498 143 HZ3 TRP 30 HZ3 TRP 30 2.587 -4.245 8.212 144 HH2 TRP 30 HH2 TRP 30 3.525 -1.960 8.029 145 H GLN 31 H GLN 31 -0.389 -6.872 5.013 146 HA GLN 31 HA GLN 31 2.342 -6.222 4.094 147 HB2 GLN 31 HB2 GLN 31 1.727 -6.991 6.468 148 HB3 GLN 31 HB3 GLN 31 1.531 -8.607 5.778 149 HG2 GLN 31 HG2 GLN 31 3.910 -8.413 4.894 150 HG3 GLN 31 HG3 GLN 31 4.057 -6.880 5.754 151 HE21 GLN 31 HE21 GLN 31 4.688 -10.176 5.980 152 HE22 GLN 31 HE22 GLN 31 4.725 -10.324 7.725 153 H ARG 32 H ARG 32 -0.090 -8.816 3.568 154 HA ARG 32 HA ARG 32 1.753 -10.468 2.124 155 HB2 ARG 32 HB2 ARG 32 -0.498 -10.945 3.485 156 HB3 ARG 32 HB3 ARG 32 -1.205 -10.955 1.878 157 HG2 ARG 32 HG2 ARG 32 1.209 -12.632 2.715 158 HG3 ARG 32 HG3 ARG 32 -0.445 -13.176 2.908 159 HD2 ARG 32 HD2 ARG 32 0.830 -12.480 0.232 160 HD3 ARG 32 HD3 ARG 32 0.690 -14.101 0.890 161 HE ARG 32 HE ARG 32 -1.451 -12.499 -0.329 162 HH11 ARG 32 HH11 ARG 32 -0.912 -15.331 1.747 163 HH12 ARG 32 HH12 ARG 32 -2.474 -15.972 1.313 164 HH21 ARG 32 HH21 ARG 32 -3.360 -13.307 -0.653 165 HH22 ARG 32 HH22 ARG 32 -3.936 -14.707 0.250 166 H ASP 33 H ASP 33 -0.895 -8.404 0.827 167 HA ASP 33 HA ASP 33 -0.278 -9.289 -1.910 168 HB2 ASP 33 HB2 ASP 33 -2.642 -8.865 -0.814 169 HB3 ASP 33 HB3 ASP 33 -2.366 -7.186 -1.296 170 H CYS 34 H CYS 34 0.748 -6.758 0.103 171 HA CYS 34 HA CYS 34 1.904 -5.255 -2.227 172 HB2 CYS 34 2HB CYS 34 0.789 -4.350 0.454 173 HB3 CYS 34 3HB CYS 34 1.989 -3.405 -0.388 174 H HIS 35 H HIS 35 3.778 -6.736 -2.171 175 HA HIS 35 HA HIS 35 5.676 -6.149 0.063 176 HB2 HIS 35 2HB HIS 35 5.710 -8.220 -2.135 177 HB3 HIS 35 3HB HIS 35 7.202 -7.681 -1.377 178 HD1 HIS 35 1HD HIS 35 3.790 -9.053 -0.043 179 HD2 HIS 35 2HD HIS 35 7.898 -8.783 0.829 180 HE1 HIS 35 1HE HIS 35 4.138 -10.274 2.159 181 H TYR 36 H TYR 36 5.597 -5.915 -3.504 182 HA TYR 36 HA TYR 36 7.818 -4.022 -3.571 183 HB2 TYR 36 HB2 TYR 36 7.269 -5.574 -5.422 184 HB3 TYR 36 HB3 TYR 36 5.711 -4.792 -5.641 185 HD1 TYR 36 HD2 TYR 36 5.602 -2.389 -6.455 186 HD2 TYR 36 HD1 TYR 36 9.276 -4.659 -6.361 187 HE1 TYR 36 HE2 TYR 36 6.674 -0.708 -7.921 188 HE2 TYR 36 HE1 TYR 36 10.338 -2.983 -7.858 189 HH TYR 36 HH TYR 36 10.082 -1.051 -8.988 190 H LEU 37 H LEU 37 4.258 -3.787 -3.898 191 HA LEU 37 HA LEU 37 4.123 -1.001 -4.319 192 HB2 LEU 37 HB2 LEU 37 2.128 -2.981 -3.179 193 HB3 LEU 37 HB3 LEU 37 1.757 -1.271 -3.388 194 HG LEU 37 HG LEU 37 2.270 -1.495 -5.844 195 HD11 LEU 37 HD11 LEU 37 2.065 -3.801 -6.800 196 HD12 LEU 37 HD12 LEU 37 2.260 -4.479 -5.174 197 HD13 LEU 37 HD13 LEU 37 3.579 -3.557 -5.953 198 HD21 LEU 37 HD21 LEU 37 0.113 -2.572 -6.351 199 HD22 LEU 37 HD22 LEU 37 -0.025 -1.502 -4.960 200 HD23 LEU 37 HD23 LEU 37 0.054 -3.263 -4.712 201 H LYS 38 H LYS 38 4.157 -2.752 -1.164 202 HA LYS 38 HA LYS 38 3.654 -0.403 0.429 203 HB2 LYS 38 HB2 LYS 38 3.171 -2.563 1.310 204 HB3 LYS 38 HB3 LYS 38 4.832 -3.112 1.075 205 HG2 LYS 38 HG2 LYS 38 5.626 -1.576 2.795 206 HG3 LYS 38 HG3 LYS 38 3.995 -0.893 2.987 207 HD2 LYS 38 HD2 LYS 38 3.148 -2.940 3.898 208 HD3 LYS 38 HD3 LYS 38 4.594 -3.841 3.454 209 HE2 LYS 38 HE2 LYS 38 4.540 -1.535 5.450 210 HE3 LYS 38 HE3 LYS 38 4.429 -3.239 5.893 211 HZ1 LYS 38 HZ1 LYS 38 6.668 -2.468 6.124 212 HZ2 LYS 38 HZ2 LYS 38 6.767 -1.991 4.552 213 HZ3 LYS 38 HZ3 LYS 38 6.640 -3.577 4.909 214 H MET 39 H MET 39 6.644 -1.643 -0.965 215 HA MET 39 HA MET 39 8.351 0.269 0.443 216 HB2 MET 39 HB2 MET 39 9.079 -1.935 -0.464 217 HB3 MET 39 HB3 MET 39 8.865 -1.334 -2.104 218 HG2 MET 39 HG2 MET 39 10.720 -0.053 -0.070 219 HG3 MET 39 HG3 MET 39 11.204 -1.367 -1.136 220 HE1 MET 39 HE1 MET 39 13.263 1.415 -2.739 221 HE2 MET 39 HE2 MET 39 12.991 1.046 -1.021 222 HE3 MET 39 HE3 MET 39 13.217 -0.273 -2.192 223 H SER 40 H SER 40 6.850 0.093 -2.785 224 HA SER 40 HA SER 40 7.948 2.509 -3.805 225 HB2 SER 40 HB2 SER 40 7.139 0.552 -5.111 226 HB3 SER 40 HB3 SER 40 5.477 1.008 -4.712 227 HG SER 40 HG SER 40 7.397 2.463 -6.257 228 H ILE 41 H ILE 41 4.699 1.980 -2.257 229 HA ILE 41 HA ILE 41 3.821 4.702 -2.552 230 HB ILE 41 HB ILE 41 2.353 4.316 -0.651 231 HG12 ILE 41 HG12 ILE 41 3.915 1.780 -0.157 232 HG13 ILE 41 HG13 ILE 41 3.636 3.128 0.937 233 HG21 ILE 41 HG21 ILE 41 1.643 3.504 -2.837 234 HG22 ILE 41 HG22 ILE 41 2.365 1.921 -2.527 235 HG23 ILE 41 HG23 ILE 41 0.995 2.509 -1.566 236 HD11 ILE 41 HD11 ILE 41 2.292 1.339 1.702 237 HD12 ILE 41 HD12 ILE 41 1.192 2.529 0.979 238 HD13 ILE 41 HD13 ILE 41 1.611 1.039 0.098 239 H ALA 42 H ALA 42 5.914 3.161 -0.118 240 HA ALA 42 HA ALA 42 5.886 5.395 1.667 241 HB1 ALA 42 HB1 ALA 42 7.563 4.027 2.893 242 HB2 ALA 42 HB2 ALA 42 6.102 3.135 2.443 243 HB3 ALA 42 HB3 ALA 42 7.606 2.891 1.528 244 H GLN 43 H GLN 43 7.965 4.663 -1.077 245 HA GLN 43 HA GLN 43 9.877 6.751 -0.317 246 HB2 GLN 43 HB2 GLN 43 11.030 6.351 -2.301 247 HB3 GLN 43 HB3 GLN 43 10.644 4.795 -1.544 248 HG2 GLN 43 HG2 GLN 43 8.976 4.307 -3.170 249 HG3 GLN 43 HG3 GLN 43 9.012 5.941 -3.836 250 HE21 GLN 43 HE21 GLN 43 11.330 6.621 -4.669 251 HE22 GLN 43 HE22 GLN 43 12.080 5.373 -5.671 252 H CYS 44 H CYS 44 6.810 6.701 -1.965 253 HA CYS 44 HA CYS 44 7.155 9.379 -3.105 254 HB2 CYS 44 2HB CYS 44 5.460 7.711 -3.869 255 HB3 CYS 44 3HB CYS 44 4.604 7.930 -2.340 256 H THR 45 H THR 45 5.833 8.046 0.000 257 HA THR 45 HA THR 45 5.422 10.737 1.048 258 HB THR 45 HB THR 45 4.736 9.577 3.139 259 HG1 THR 45 HG1 THR 45 4.310 7.330 2.848 260 HG21 THR 45 HG21 THR 45 2.657 8.748 2.217 261 HG22 THR 45 HG22 THR 45 3.389 8.514 0.614 262 HG23 THR 45 HG23 THR 45 3.161 10.151 1.270 263 H SER 46 H SER 46 8.254 8.728 1.020 264 HA SER 46 HA SER 46 9.522 9.940 3.310 265 HB2 SER 46 HB2 SER 46 11.586 9.076 2.429 266 HB3 SER 46 HB3 SER 46 10.328 7.843 2.209 267 HG SER 46 HG SER 46 11.731 8.337 0.305 268 H SER 47 H SER 47 8.674 11.301 0.290 269 HA SER 47 HA SER 47 10.849 12.981 -0.292 270 HB2 SER 47 HB2 SER 47 8.877 12.301 -1.721 271 HB3 SER 47 HB3 SER 47 7.919 13.520 -0.868 272 HG SER 47 HG SER 47 8.756 14.365 -2.757 273 H HIS 48 H HIS 48 8.438 13.483 2.213 274 HA HIS 48 HA HIS 48 8.900 16.365 2.400 275 HB2 HIS 48 2HB HIS 48 7.403 14.413 4.179 276 HB3 HIS 48 3HB HIS 48 7.537 16.141 4.504 277 HD1 HIS 48 1HD HIS 48 4.911 14.146 3.351 278 HD2 HIS 48 2HD HIS 48 6.906 17.518 1.829 279 HE1 HIS 48 1HE HIS 48 3.323 15.234 1.685 280 HA PRO 49 HA PRO 49 12.541 15.930 5.007 281 HB2 PRO 49 HB2 PRO 49 12.959 18.520 5.749 282 HB3 PRO 49 HB3 PRO 49 13.098 17.975 4.056 283 HG2 PRO 49 HG2 PRO 49 10.665 19.222 5.396 284 HG3 PRO 49 HG3 PRO 49 11.481 19.753 3.887 285 HD2 PRO 49 HD2 PRO 49 9.320 18.098 3.823 286 HD3 PRO 49 HD3 PRO 49 10.678 17.891 2.682 287 H ILE 50 H ILE 50 10.525 14.766 6.283 288 HA ILE 50 HA ILE 50 9.616 15.866 8.746 289 HB ILE 50 HB ILE 50 10.050 12.966 7.988 290 HG12 ILE 50 HG12 ILE 50 8.635 13.844 6.299 291 HG13 ILE 50 HG13 ILE 50 7.632 12.936 7.400 292 HG21 ILE 50 HG21 ILE 50 9.677 13.112 10.376 293 HG22 ILE 50 HG22 ILE 50 8.282 14.178 10.139 294 HG23 ILE 50 HG23 ILE 50 8.219 12.488 9.612 295 HD11 ILE 50 HD11 ILE 50 6.850 15.071 8.441 296 HD12 ILE 50 HD12 ILE 50 7.831 15.978 7.266 297 HD13 ILE 50 HD13 ILE 50 6.489 14.966 6.711 298 H ILE 51 H ILE 51 12.524 14.062 7.932 299 HA ILE 51 HA ILE 51 13.795 14.772 10.523 300 HB ILE 51 HB ILE 51 14.937 12.649 10.591 301 HG12 ILE 51 HG12 ILE 51 13.265 11.757 8.204 302 HG13 ILE 51 HG13 ILE 51 14.980 12.156 8.141 303 HG21 ILE 51 HG21 ILE 51 11.964 12.091 10.375 304 HG22 ILE 51 HG22 ILE 51 13.158 11.277 11.402 305 HG23 ILE 51 HG23 ILE 51 12.729 12.954 11.731 306 HD11 ILE 51 HD11 ILE 51 14.752 9.768 8.224 307 HD12 ILE 51 HD12 ILE 51 15.474 10.321 9.743 308 HD13 ILE 51 HD13 ILE 51 13.760 9.844 9.687 309 H ARG 52 H ARG 52 16.197 14.782 10.388 310 HA ARG 52 HA ARG 52 17.042 16.553 8.336 311 HB2 ARG 52 HB2 ARG 52 17.863 16.200 10.768 312 HB3 ARG 52 HB3 ARG 52 18.928 14.955 10.097 313 HG2 ARG 52 HG2 ARG 52 19.876 16.735 8.542 314 HG3 ARG 52 HG3 ARG 52 18.805 17.905 9.319 315 HD2 ARG 52 HD2 ARG 52 20.641 18.289 10.624 316 HD3 ARG 52 HD3 ARG 52 19.960 16.966 11.550 317 HE ARG 52 HE ARG 52 21.714 15.550 10.850 318 HH11 ARG 52 HH11 ARG 52 21.962 18.554 9.021 319 HH12 ARG 52 HH12 ARG 52 23.489 18.061 8.321 320 HH21 ARG 52 HH21 ARG 52 23.627 15.120 10.131 321 HH22 ARG 52 HH22 ARG 52 24.500 16.183 9.030 322 H GLN 53 H GLN 53 17.459 13.047 8.519 323 HA GLN 53 HA GLN 53 19.453 12.564 6.680 324 HB2 GLN 53 HB2 GLN 53 18.209 10.870 8.028 325 HB3 GLN 53 HB3 GLN 53 16.851 11.011 6.900 326 HG2 GLN 53 HG2 GLN 53 18.439 10.280 5.042 327 HG3 GLN 53 HG3 GLN 53 19.667 9.996 6.277 328 HE21 GLN 53 HE21 GLN 53 18.662 7.992 4.490 329 HE22 GLN 53 HE22 GLN 53 17.745 6.831 5.467 330 H ILE 54 H ILE 54 16.135 13.584 5.882 331 HA ILE 54 HA ILE 54 16.230 12.964 3.088 332 HB ILE 54 HB ILE 54 14.628 15.122 4.503 333 HG12 ILE 54 HG12 ILE 54 14.134 13.093 5.669 334 HG13 ILE 54 HG13 ILE 54 12.802 13.418 4.590 335 HG21 ILE 54 HG21 ILE 54 14.530 15.412 2.089 336 HG22 ILE 54 HG22 ILE 54 14.159 13.693 1.852 337 HG23 ILE 54 HG23 ILE 54 12.987 14.756 2.650 338 HD11 ILE 54 HD11 ILE 54 13.303 11.039 4.596 339 HD12 ILE 54 HD12 ILE 54 13.704 11.687 2.996 340 HD13 ILE 54 HD13 ILE 54 14.989 11.332 4.176 341 H ARG 55 H ARG 55 17.155 15.980 4.838 342 HA ARG 55 HA ARG 55 18.065 17.254 2.328 343 HB2 ARG 55 HB2 ARG 55 18.208 18.058 5.257 344 HB3 ARG 55 HB3 ARG 55 18.916 19.018 3.942 345 HG2 ARG 55 HG2 ARG 55 16.751 19.235 2.836 346 HG3 ARG 55 HG3 ARG 55 15.976 18.187 4.029 347 HD2 ARG 55 HD2 ARG 55 16.441 19.781 5.806 348 HD3 ARG 55 HD3 ARG 55 17.289 20.855 4.668 349 HE ARG 55 HE ARG 55 14.850 20.603 3.464 350 HH11 ARG 55 HH11 ARG 55 15.594 21.518 6.805 351 HH12 ARG 55 HH12 ARG 55 14.083 22.452 6.870 352 HH21 ARG 55 HH21 ARG 55 13.081 21.794 3.723 353 HH22 ARG 55 HH22 ARG 55 12.780 22.614 5.267 354 H GLN 56 H GLN 56 19.543 15.262 4.814 355 HA GLN 56 HA GLN 56 22.264 15.601 3.882 356 HB2 GLN 56 HB2 GLN 56 20.938 13.205 5.197 357 HB3 GLN 56 HB3 GLN 56 22.657 13.402 4.931 358 HG2 GLN 56 HG2 GLN 56 22.763 15.320 6.416 359 HG3 GLN 56 HG3 GLN 56 21.014 15.372 6.590 360 HE21 GLN 56 HE21 GLN 56 23.788 13.124 7.162 361 HE22 GLN 56 HE22 GLN 56 23.121 12.536 8.687 362 H ALA 57 H ALA 57 19.511 13.744 2.576 363 HA ALA 57 HA ALA 57 21.212 12.446 0.568 364 HB1 ALA 57 HB1 ALA 57 19.217 11.189 0.063 365 HB2 ALA 57 HB2 ALA 57 19.475 11.235 1.817 366 HB3 ALA 57 HB3 ALA 57 18.233 12.267 1.088 367 H CYS 58 H CYS 58 18.376 14.710 0.361 368 HA CYS 58 HA CYS 58 18.972 15.053 -2.552 369 HB2 CYS 58 2HB CYS 58 16.569 15.059 -2.903 370 HB3 CYS 58 3HB CYS 58 17.144 13.560 -2.207 371 H ALA 59 H ALA 59 20.290 16.926 -1.615 372 HA ALA 59 HA ALA 59 18.591 19.388 -1.359 373 HB1 ALA 59 HB1 ALA 59 19.629 18.794 0.756 374 HB2 ALA 59 HB2 ALA 59 21.239 18.750 -0.013 375 HB3 ALA 59 HB3 ALA 59 20.343 20.276 0.108 376 H GLN 60 H GLN 60 21.484 18.025 -3.007 377 HA GLN 60 HA GLN 60 22.305 20.659 -3.920 378 HB2 GLN 60 HB2 GLN 60 23.978 19.088 -3.545 379 HB3 GLN 60 HB3 GLN 60 23.304 17.894 -4.627 380 HG2 GLN 60 HG2 GLN 60 24.155 20.649 -5.632 381 HG3 GLN 60 HG3 GLN 60 25.336 19.375 -5.381 382 HE21 GLN 60 HE21 GLN 60 24.831 20.582 -7.970 383 HE22 GLN 60 HE22 GLN 60 24.279 19.230 -8.963 384 HA PRO 61 HA PRO 61 20.143 19.634 -8.042 385 HB2 PRO 61 HB2 PRO 61 18.126 17.558 -7.269 386 HB3 PRO 61 HB3 PRO 61 19.027 17.740 -8.796 387 HG2 PRO 61 HG2 PRO 61 19.755 15.839 -7.030 388 HG3 PRO 61 HG3 PRO 61 21.013 16.834 -7.834 389 HD2 PRO 61 HD2 PRO 61 19.806 17.236 -5.069 390 HD3 PRO 61 HD3 PRO 61 21.522 17.179 -5.548 391 H PHE 62 H PHE 62 18.334 19.399 -4.997 392 HA PHE 62 HA PHE 62 15.936 20.735 -5.653 393 HB2 PHE 62 HB2 PHE 62 16.557 19.507 -3.524 394 HB3 PHE 62 HB3 PHE 62 17.582 20.843 -3.084 395 HD1 PHE 62 HD2 PHE 62 16.609 23.085 -2.526 396 HD2 PHE 62 HD1 PHE 62 14.194 19.551 -3.039 397 HE1 PHE 62 HE2 PHE 62 14.754 24.168 -1.285 398 HE2 PHE 62 HE1 PHE 62 12.345 20.642 -1.791 399 HZ PHE 62 HZ PHE 62 12.620 22.955 -0.937 400 H GLU 63 H GLU 63 19.065 22.114 -4.710 401 HA GLU 63 HA GLU 63 18.270 24.912 -5.015 402 HB2 GLU 63 HB2 GLU 63 19.976 24.181 -3.444 403 HB3 GLU 63 HB3 GLU 63 20.904 23.435 -4.738 404 HG2 GLU 63 HG2 GLU 63 21.290 25.726 -5.716 405 HG3 GLU 63 HG3 GLU 63 20.431 26.424 -4.334 406 H ALA 64 H ALA 64 19.895 22.459 -7.112 407 HA ALA 64 HA ALA 64 20.681 24.304 -9.139 408 HB1 ALA 64 HB1 ALA 64 21.602 22.002 -8.835 409 HB2 ALA 64 HB2 ALA 64 20.058 21.340 -9.427 410 HB3 ALA 64 HB3 ALA 64 21.066 22.324 -10.496 411 H PHE 65 H PHE 65 17.602 22.494 -8.718 412 HA PHE 65 HA PHE 65 16.448 23.517 -11.181 413 HB2 PHE 65 HB2 PHE 65 15.231 22.264 -8.700 414 HB3 PHE 65 HB3 PHE 65 14.276 22.787 -10.083 415 HD1 PHE 65 HD1 PHE 65 15.293 21.968 -12.472 416 HD2 PHE 65 HD2 PHE 65 15.750 19.940 -8.694 417 HE1 PHE 65 HE1 PHE 65 15.726 19.837 -13.667 418 HE2 PHE 65 HE2 PHE 65 16.190 17.810 -9.898 419 HZ PHE 65 HZ PHE 65 16.173 17.762 -12.386 420 H GLU 66 H GLU 66 16.607 24.841 -7.884 421 HA GLU 66 HA GLU 66 14.854 27.103 -8.474 422 HB2 GLU 66 HB2 GLU 66 15.483 26.137 -6.215 423 HB3 GLU 66 HB3 GLU 66 17.056 26.918 -6.369 424 HG2 GLU 66 HG2 GLU 66 15.999 29.115 -6.436 425 HG3 GLU 66 HG3 GLU 66 14.395 28.385 -6.524 426 H GLU 67 H GLU 67 18.331 26.481 -8.828 427 HA GLU 67 HA GLU 67 18.988 29.085 -9.851 428 HB2 GLU 67 HB2 GLU 67 20.489 27.304 -8.810 429 HB3 GLU 67 HB3 GLU 67 20.518 26.508 -10.364 430 HG2 GLU 67 HG2 GLU 67 21.241 29.459 -10.056 431 HG3 GLU 67 HG3 GLU 67 22.390 28.209 -9.611 432 H CYS 68 H CYS 68 17.544 26.251 -11.355 433 HA CYS 68 HA CYS 68 18.137 26.868 -14.058 434 HB2 CYS 68 2HB CYS 68 17.209 24.722 -13.146 435 HB3 CYS 68 3HB CYS 68 15.618 25.497 -13.062 436 H LEU 69 H LEU 69 15.263 27.972 -12.085 437 HA LEU 69 HA LEU 69 14.446 29.869 -14.071 438 HB2 LEU 69 HB2 LEU 69 13.663 29.533 -11.151 439 HB3 LEU 69 HB3 LEU 69 12.821 30.511 -12.336 440 HG LEU 69 HG LEU 69 13.007 27.483 -12.209 441 HD11 LEU 69 HD11 LEU 69 11.315 28.633 -10.809 442 HD12 LEU 69 HD12 LEU 69 10.567 27.638 -12.077 443 HD13 LEU 69 HD13 LEU 69 10.638 29.401 -12.258 444 HD21 LEU 69 HD21 LEU 69 11.735 29.080 -14.477 445 HD22 LEU 69 HD22 LEU 69 11.651 27.327 -14.235 446 HD23 LEU 69 HD23 LEU 69 13.193 28.071 -14.619 447 H ARG 70 H ARG 70 16.898 29.988 -11.601 448 HA ARG 70 HA ARG 70 17.097 32.905 -11.560 449 HB2 ARG 70 HB2 ARG 70 18.104 31.207 -9.942 450 HB3 ARG 70 HB3 ARG 70 19.364 30.934 -11.152 451 HG2 ARG 70 HG2 ARG 70 20.161 33.214 -10.938 452 HG3 ARG 70 HG3 ARG 70 18.753 33.660 -9.955 453 HD2 ARG 70 HD2 ARG 70 19.488 31.826 -8.318 454 HD3 ARG 70 HD3 ARG 70 21.012 31.763 -9.190 455 HE ARG 70 HE ARG 70 20.000 33.913 -7.422 456 HH11 ARG 70 HH11 ARG 70 22.589 33.051 -9.671 457 HH12 ARG 70 HH12 ARG 70 23.604 34.340 -9.047 458 HH21 ARG 70 HH21 ARG 70 21.480 35.411 -6.615 459 HH22 ARG 70 HH22 ARG 70 23.064 35.460 -7.322 460 H GLN 71 H GLN 71 18.258 30.393 -13.748 461 HA GLN 71 HA GLN 71 19.476 32.358 -15.607 462 HB2 GLN 71 HB2 GLN 71 19.014 29.357 -15.770 463 HB3 GLN 71 HB3 GLN 71 19.771 30.320 -17.042 464 HG2 GLN 71 HG2 GLN 71 21.577 30.952 -15.441 465 HG3 GLN 71 HG3 GLN 71 20.835 29.909 -14.223 466 HE21 GLN 71 HE21 GLN 71 21.901 27.923 -14.083 467 HE22 GLN 71 HE22 GLN 71 22.548 27.061 -15.452 468 H ASN 72 H ASN 72 16.563 30.278 -15.573 469 HA ASN 72 HA ASN 72 15.571 31.473 -18.130 470 HB2 ASN 72 HB2 ASN 72 15.385 28.572 -17.248 471 HB3 ASN 72 HB3 ASN 72 14.925 29.210 -18.793 472 HD21 ASN 72 HD21 ASN 72 17.397 27.826 -16.946 473 HD22 ASN 72 HD22 ASN 72 18.642 27.840 -18.195 474 H GLU 73 H GLU 73 14.540 32.532 -15.709 475 HA GLU 73 HA GLU 73 12.560 31.150 -14.402 476 HB2 GLU 73 HB2 GLU 73 13.519 33.639 -14.139 477 HB3 GLU 73 HB3 GLU 73 12.161 34.091 -15.145 478 HG2 GLU 73 HG2 GLU 73 10.647 32.905 -13.469 479 HG3 GLU 73 HG3 GLU 73 12.063 32.721 -12.444 480 H ALA 74 H ALA 74 12.407 32.556 -17.543 481 HA ALA 74 HA ALA 74 9.531 32.670 -17.968 482 HB1 ALA 74 HB1 ALA 74 11.011 34.506 -18.560 483 HB2 ALA 74 HB2 ALA 74 12.031 33.431 -19.540 484 HB3 ALA 74 HB3 ALA 74 10.384 33.816 -20.061 485 H ALA 75 H ALA 75 11.599 30.060 -18.242 486 HA ALA 75 HA ALA 75 10.151 28.924 -20.597 487 HB1 ALA 75 HB1 ALA 75 12.230 27.964 -21.410 488 HB2 ALA 75 HB2 ALA 75 12.391 29.727 -21.278 489 HB3 ALA 75 HB3 ALA 75 13.125 28.665 -20.049 490 H VAL 76 H VAL 76 9.064 28.432 -18.274 491 HA VAL 76 HA VAL 76 10.247 26.474 -16.605 492 HB VAL 76 HB VAL 76 7.348 27.353 -16.940 493 HG11 VAL 76 HG11 VAL 76 7.261 25.245 -15.723 494 HG12 VAL 76 HG12 VAL 76 8.571 25.784 -14.645 495 HG13 VAL 76 HG13 VAL 76 6.979 26.580 -14.603 496 HG21 VAL 76 HG21 VAL 76 7.777 28.763 -14.982 497 HG22 VAL 76 HG22 VAL 76 9.438 28.149 -14.869 498 HG23 VAL 76 HG23 VAL 76 8.945 29.151 -16.246 499 H GLY 77 H GLY 77 8.635 25.986 -19.648 500 HA2 GLY 77 HA2 GLY 77 7.753 23.283 -19.397 501 HA3 GLY 77 HA3 GLY 77 8.348 24.055 -20.873 502 H ASN 78 H ASN 78 11.066 24.616 -19.786 503 HA ASN 78 HA ASN 78 12.216 21.942 -20.255 504 HB2 ASN 78 HB2 ASN 78 13.478 24.686 -19.860 505 HB3 ASN 78 HB3 ASN 78 14.389 23.208 -20.161 506 HD21 ASN 78 HD21 ASN 78 15.021 24.921 -21.959 507 HD22 ASN 78 HD22 ASN 78 14.028 24.840 -23.419 508 H CYS 79 H CYS 79 11.797 24.091 -17.442 509 HA CYS 79 HA CYS 79 12.303 21.791 -15.719 510 HB2 CYS 79 2HB CYS 79 13.910 23.030 -14.267 511 HB3 CYS 79 3HB CYS 79 14.547 22.656 -15.865 512 H ALA 80 H ALA 80 10.905 21.784 -14.047 513 HA ALA 80 HA ALA 80 9.509 24.299 -13.248 514 HB1 ALA 80 HB1 ALA 80 8.091 22.830 -14.625 515 HB2 ALA 80 HB2 ALA 80 8.398 21.475 -13.515 516 HB3 ALA 80 HB3 ALA 80 7.505 22.902 -12.953 517 H GLU 81 H GLU 81 9.734 24.839 -11.157 518 HA GLU 81 HA GLU 81 11.756 23.376 -9.841 519 HB2 GLU 81 HB2 GLU 81 11.524 25.123 -8.000 520 HB3 GLU 81 HB3 GLU 81 12.061 25.560 -9.606 521 HG2 GLU 81 HG2 GLU 81 10.695 27.309 -8.921 522 HG3 GLU 81 HG3 GLU 81 9.759 26.440 -10.126 523 H HIS 82 H HIS 82 8.449 23.899 -8.392 524 HA HIS 82 HA HIS 82 8.972 22.259 -6.152 525 HB2 HIS 82 2HB HIS 82 6.519 23.293 -7.543 526 HB3 HIS 82 3HB HIS 82 6.303 21.950 -6.429 527 HD1 HIS 82 1HD HIS 82 7.843 25.532 -6.294 528 HD2 HIS 82 2HD HIS 82 6.246 22.456 -3.890 529 HE1 HIS 82 1HE HIS 82 7.644 26.487 -3.948 530 H MET 83 H MET 83 7.698 21.283 -9.340 531 HA MET 83 HA MET 83 7.104 18.559 -8.718 532 HB2 MET 83 HB2 MET 83 6.306 19.781 -10.703 533 HB3 MET 83 HB3 MET 83 7.940 19.867 -11.356 534 HG2 MET 83 HG2 MET 83 6.507 17.255 -10.762 535 HG3 MET 83 HG3 MET 83 6.375 18.098 -12.300 536 HE1 MET 83 HE1 MET 83 8.461 14.967 -13.282 537 HE2 MET 83 HE2 MET 83 7.153 15.052 -12.081 538 HE3 MET 83 HE3 MET 83 7.014 15.945 -13.614 539 H ARG 84 H ARG 84 10.055 20.006 -10.190 540 HA ARG 84 HA ARG 84 11.449 17.466 -10.228 541 HB2 ARG 84 HB2 ARG 84 12.435 20.315 -10.648 542 HB3 ARG 84 HB3 ARG 84 13.369 18.860 -10.981 543 HG2 ARG 84 HG2 ARG 84 10.702 19.405 -12.352 544 HG3 ARG 84 HG3 ARG 84 12.248 19.961 -12.995 545 HD2 ARG 84 HD2 ARG 84 13.064 17.738 -13.266 546 HD3 ARG 84 HD3 ARG 84 11.731 17.051 -12.324 547 HE ARG 84 HE ARG 84 10.418 18.277 -14.430 548 HH11 ARG 84 HH11 ARG 84 12.953 15.848 -14.259 549 HH12 ARG 84 HH12 ARG 84 12.289 14.927 -15.580 550 HH21 ARG 84 HH21 ARG 84 9.606 17.068 -16.088 551 HH22 ARG 84 HH22 ARG 84 10.400 15.588 -16.577 552 H ARG 85 H ARG 85 11.436 20.148 -7.931 553 HA ARG 85 HA ARG 85 13.470 19.115 -6.123 554 HB2 ARG 85 HB2 ARG 85 11.060 20.968 -5.790 555 HB3 ARG 85 HB3 ARG 85 12.118 20.583 -4.445 556 HG2 ARG 85 HG2 ARG 85 13.951 21.744 -5.327 557 HG3 ARG 85 HG3 ARG 85 13.361 21.633 -6.979 558 HD2 ARG 85 HD2 ARG 85 13.134 23.885 -6.441 559 HD3 ARG 85 HD3 ARG 85 11.509 23.236 -6.361 560 HE ARG 85 HE ARG 85 11.391 23.604 -4.069 561 HH11 ARG 85 HH11 ARG 85 14.757 24.236 -4.931 562 HH12 ARG 85 HH12 ARG 85 14.788 25.692 -3.960 563 HH21 ARG 85 HH21 ARG 85 11.584 25.448 -2.809 564 HH22 ARG 85 HH22 ARG 85 13.196 26.052 -2.507 565 H PHE 86 H PHE 86 10.013 18.314 -6.451 566 HA PHE 86 HA PHE 86 10.081 16.551 -4.122 567 HB2 PHE 86 HB2 PHE 86 8.032 17.675 -5.058 568 HB3 PHE 86 HB3 PHE 86 8.101 16.577 -6.425 569 HD1 PHE 86 HD2 PHE 86 7.837 14.053 -6.003 570 HD2 PHE 86 HD1 PHE 86 7.107 17.021 -2.957 571 HE1 PHE 86 HE2 PHE 86 6.555 12.390 -4.683 572 HE2 PHE 86 HE1 PHE 86 5.814 15.356 -1.649 573 HZ PHE 86 HZ PHE 86 5.547 13.032 -2.507 574 H LEU 87 H LEU 87 10.189 15.994 -7.674 575 HA LEU 87 HA LEU 87 10.438 13.229 -7.815 576 HB2 LEU 87 HB2 LEU 87 10.232 14.919 -9.651 577 HB3 LEU 87 HB3 LEU 87 11.920 15.344 -9.432 578 HG LEU 87 HG LEU 87 10.821 12.717 -10.504 579 HD11 LEU 87 HD11 LEU 87 11.869 13.538 -12.583 580 HD12 LEU 87 HD12 LEU 87 12.456 14.980 -11.719 581 HD13 LEU 87 HD13 LEU 87 10.709 14.725 -11.973 582 HD21 LEU 87 HD21 LEU 87 12.907 12.089 -9.446 583 HD22 LEU 87 HD22 LEU 87 13.730 13.541 -10.079 584 HD23 LEU 87 HD23 LEU 87 13.202 12.238 -11.164 585 H GLN 88 H GLN 88 13.206 15.517 -7.590 586 HA GLN 88 HA GLN 88 15.148 13.472 -7.382 587 HB2 GLN 88 HB2 GLN 88 16.745 15.247 -7.063 588 HB3 GLN 88 HB3 GLN 88 15.547 15.715 -8.254 589 HG2 GLN 88 HG2 GLN 88 15.693 17.660 -7.038 590 HG3 GLN 88 HG3 GLN 88 14.322 16.896 -6.262 591 HE21 GLN 88 HE21 GLN 88 14.360 17.311 -4.081 592 HE22 GLN 88 HE22 GLN 88 15.849 17.262 -3.123 593 H CYS 89 H CYS 89 13.087 14.547 -4.848 594 HA CYS 89 HA CYS 89 14.772 13.058 -2.871 595 HB2 CYS 89 2HB CYS 89 12.144 14.533 -2.565 596 HB3 CYS 89 3HB CYS 89 12.867 13.528 -1.316 597 H ALA 90 H ALA 90 11.486 12.812 -4.363 598 HA ALA 90 HA ALA 90 10.852 10.394 -3.046 599 HB1 ALA 90 HB1 ALA 90 9.250 12.078 -3.961 600 HB2 ALA 90 HB2 ALA 90 9.681 11.578 -5.609 601 HB3 ALA 90 HB3 ALA 90 8.880 10.434 -4.507 602 H GLU 91 H GLU 91 12.595 10.796 -6.106 603 HA GLU 91 HA GLU 91 12.503 7.856 -6.562 604 HB2 GLU 91 HB2 GLU 91 13.656 10.153 -8.164 605 HB3 GLU 91 HB3 GLU 91 13.962 8.472 -8.569 606 HG2 GLU 91 HG2 GLU 91 11.207 9.753 -8.435 607 HG3 GLU 91 HG3 GLU 91 12.124 9.420 -9.903 608 H GLN 92 H GLN 92 14.273 9.821 -4.554 609 HA GLN 92 HA GLN 92 16.879 8.441 -5.004 610 HB2 GLN 92 HB2 GLN 92 16.631 10.939 -5.299 611 HB3 GLN 92 HB3 GLN 92 16.275 11.047 -3.583 612 HG2 GLN 92 HG2 GLN 92 18.530 11.646 -3.775 613 HG3 GLN 92 HG3 GLN 92 18.594 10.007 -3.154 614 HE21 GLN 92 HE21 GLN 92 20.936 10.816 -4.245 615 HE22 GLN 92 HE22 GLN 92 21.108 10.115 -5.867 616 H VAL 93 H VAL 93 14.506 9.145 -2.392 617 HA VAL 93 HA VAL 93 16.415 7.868 -0.466 618 HB VAL 93 HB VAL 93 14.299 9.876 0.326 619 HG11 VAL 93 HG11 VAL 93 17.001 9.032 1.477 620 HG12 VAL 93 HG12 VAL 93 15.901 10.227 2.186 621 HG13 VAL 93 HG13 VAL 93 15.408 8.533 2.098 622 HG21 VAL 93 HG21 VAL 93 16.097 11.608 0.288 623 HG22 VAL 93 HG22 VAL 93 17.112 10.485 -0.658 624 HG23 VAL 93 HG23 VAL 93 15.583 11.107 -1.314 Start of MODEL 13 1 H TYR 11 H TYR 11 0.882 14.415 1.038 2 HA TYR 11 HA TYR 11 2.690 12.077 1.084 3 HB2 TYR 11 HB2 TYR 11 0.710 10.577 1.407 4 HB3 TYR 11 HB3 TYR 11 1.144 11.516 2.812 5 HD1 TYR 11 HD2 TYR 11 -0.290 13.211 3.748 6 HD2 TYR 11 HD1 TYR 11 -1.459 11.029 0.216 7 HE1 TYR 11 HE2 TYR 11 -2.631 14.013 4.027 8 HE2 TYR 11 HE1 TYR 11 -3.810 11.803 0.522 9 HH TYR 11 HH TYR 11 -5.295 12.933 1.898 10 H CYS 12 H CYS 12 1.910 10.449 -0.634 11 HA CYS 12 HA CYS 12 0.830 11.872 -3.039 12 HB2 CYS 12 2HB CYS 12 2.459 9.325 -2.817 13 HB3 CYS 12 3HB CYS 12 1.978 10.155 -4.303 14 H GLY 13 H GLY 13 -1.225 11.299 -3.695 15 HA2 GLY 13 HA2 GLY 13 -2.921 9.645 -2.208 16 HA3 GLY 13 HA3 GLY 13 -3.228 10.171 -3.861 17 H ARG 14 H ARG 14 -0.817 8.623 -4.837 18 HA ARG 14 HA ARG 14 -1.663 5.993 -5.376 19 HB2 ARG 14 HB2 ARG 14 0.644 5.536 -5.874 20 HB3 ARG 14 HB3 ARG 14 0.224 7.142 -6.431 21 HG2 ARG 14 HG2 ARG 14 2.022 7.950 -5.334 22 HG3 ARG 14 HG3 ARG 14 1.229 7.555 -3.818 23 HD2 ARG 14 HD2 ARG 14 3.161 6.424 -3.552 24 HD3 ARG 14 HD3 ARG 14 2.183 5.132 -4.247 25 HE ARG 14 HE ARG 14 4.193 6.817 -5.746 26 HH11 ARG 14 HH11 ARG 14 2.447 3.692 -5.785 27 HH12 ARG 14 HH12 ARG 14 3.500 3.167 -7.072 28 HH21 ARG 14 HH21 ARG 14 5.329 6.032 -7.234 29 HH22 ARG 14 HH22 ARG 14 5.172 4.380 -7.809 30 H GLU 15 H GLU 15 -0.505 7.112 -2.227 31 HA GLU 15 HA GLU 15 -0.047 4.377 -1.341 32 HB2 GLU 15 HB2 GLU 15 0.657 5.165 0.640 33 HB3 GLU 15 HB3 GLU 15 1.143 6.435 -0.472 34 HG2 GLU 15 HG2 GLU 15 -0.552 7.920 0.329 35 HG3 GLU 15 HG3 GLU 15 -1.335 6.634 1.256 36 H LEU 16 H LEU 16 -2.841 6.471 -1.345 37 HA LEU 16 HA LEU 16 -4.422 4.852 0.502 38 HB2 LEU 16 HB2 LEU 16 -5.424 6.761 -1.649 39 HB3 LEU 16 HB3 LEU 16 -6.253 6.257 -0.183 40 HG LEU 16 HG LEU 16 -3.818 8.090 -0.355 41 HD11 LEU 16 HD11 LEU 16 -6.702 8.645 0.437 42 HD12 LEU 16 HD12 LEU 16 -5.938 9.106 -1.096 43 HD13 LEU 16 HD13 LEU 16 -5.367 9.819 0.421 44 HD21 LEU 16 HD21 LEU 16 -3.731 6.794 1.738 45 HD22 LEU 16 HD22 LEU 16 -5.414 7.236 2.096 46 HD23 LEU 16 HD23 LEU 16 -4.140 8.481 2.054 47 H GLU 17 H GLU 17 -4.016 5.124 -3.002 48 HA GLU 17 HA GLU 17 -6.082 3.295 -3.701 49 HB2 GLU 17 HB2 GLU 17 -5.029 5.178 -5.047 50 HB3 GLU 17 HB3 GLU 17 -3.677 4.120 -5.400 51 HG2 GLU 17 HG2 GLU 17 -6.574 3.394 -6.044 52 HG3 GLU 17 HG3 GLU 17 -5.619 4.416 -7.109 53 H GLN 18 H GLN 18 -2.634 2.703 -3.114 54 HA GLN 18 HA GLN 18 -2.883 -0.119 -3.834 55 HB2 GLN 18 HB2 GLN 18 -0.607 -0.382 -3.012 56 HB3 GLN 18 HB3 GLN 18 -0.779 0.917 -4.171 57 HG2 GLN 18 HG2 GLN 18 0.555 2.027 -2.722 58 HG3 GLN 18 HG3 GLN 18 -0.972 2.426 -1.977 59 HE21 GLN 18 HE21 GLN 18 -0.787 2.330 0.261 60 HE22 GLN 18 HE22 GLN 18 0.252 1.170 1.081 61 H TYR 19 H TYR 19 -2.890 1.670 -0.686 62 HA TYR 19 HA TYR 19 -2.863 -0.721 0.877 63 HB2 TYR 19 HB2 TYR 19 -2.331 1.658 1.654 64 HB3 TYR 19 HB3 TYR 19 -4.055 1.944 1.731 65 HD1 TYR 19 HD1 TYR 19 -1.263 -0.177 3.025 66 HD2 TYR 19 HD2 TYR 19 -5.295 1.205 3.698 67 HE1 TYR 19 HE1 TYR 19 -1.174 -1.047 5.354 68 HE2 TYR 19 HE2 TYR 19 -5.201 0.325 6.027 69 HH TYR 19 HH TYR 19 -3.945 -0.836 7.606 70 H GLY 20 H GLY 20 -5.600 1.261 -0.363 71 HA2 GLY 20 HA2 GLY 20 -7.683 0.030 1.102 72 HA3 GLY 20 HA3 GLY 20 -7.856 0.784 -0.494 73 H GLN 21 H GLN 21 -6.146 -1.047 -1.962 74 HA GLN 21 HA GLN 21 -7.953 -3.194 -2.481 75 HB2 GLN 21 HB2 GLN 21 -6.036 -2.111 -3.950 76 HB3 GLN 21 HB3 GLN 21 -4.974 -3.278 -3.139 77 HG2 GLN 21 HG2 GLN 21 -6.503 -5.117 -3.913 78 HG3 GLN 21 HG3 GLN 21 -7.430 -3.912 -4.817 79 HE21 GLN 21 HE21 GLN 21 -5.783 -2.421 -6.296 80 HE22 GLN 21 HE22 GLN 21 -4.699 -3.453 -7.222 81 H CYS 22 H CYS 22 -4.861 -3.087 -0.756 82 HA CYS 22 HA CYS 22 -4.657 -5.861 -0.249 83 HB2 CYS 22 2HB CYS 22 -3.433 -3.465 1.175 84 HB3 CYS 22 3HB CYS 22 -2.851 -5.125 1.261 85 H VAL 23 H VAL 23 -5.821 -3.228 1.962 86 HA VAL 23 HA VAL 23 -6.464 -5.288 3.975 87 HB VAL 23 HB VAL 23 -7.286 -3.549 5.405 88 HG11 VAL 23 HG11 VAL 23 -4.858 -4.095 5.279 89 HG12 VAL 23 HG12 VAL 23 -4.636 -2.709 4.182 90 HG13 VAL 23 HG13 VAL 23 -5.204 -2.460 5.848 91 HG21 VAL 23 HG21 VAL 23 -7.156 -1.178 4.882 92 HG22 VAL 23 HG22 VAL 23 -6.672 -1.530 3.219 93 HG23 VAL 23 HG23 VAL 23 -8.292 -1.975 3.788 94 H ALA 24 H ALA 24 -8.315 -3.743 1.377 95 HA ALA 24 HA ALA 24 -10.840 -4.522 2.539 96 HB1 ALA 24 HB1 ALA 24 -10.734 -2.790 0.805 97 HB2 ALA 24 HB2 ALA 24 -10.110 -3.984 -0.367 98 HB3 ALA 24 HB3 ALA 24 -11.757 -4.134 0.286 99 H ALA 25 H ALA 25 -8.468 -6.309 0.530 100 HA ALA 25 HA ALA 25 -10.292 -8.522 0.149 101 HB1 ALA 25 HB1 ALA 25 -8.199 -9.682 -0.603 102 HB2 ALA 25 HB2 ALA 25 -8.494 -8.121 -1.396 103 HB3 ALA 25 HB3 ALA 25 -7.290 -8.232 -0.108 104 H LYS 26 H LYS 26 -7.473 -8.164 2.360 105 HA LYS 26 HA LYS 26 -8.845 -9.514 4.514 106 HB2 LYS 26 HB2 LYS 26 -6.307 -10.895 3.616 107 HB3 LYS 26 HB3 LYS 26 -7.255 -11.228 5.039 108 HG2 LYS 26 HG2 LYS 26 -9.170 -11.948 3.651 109 HG3 LYS 26 HG3 LYS 26 -8.160 -11.749 2.196 110 HD2 LYS 26 HD2 LYS 26 -6.575 -13.406 3.030 111 HD3 LYS 26 HD3 LYS 26 -7.477 -13.560 4.558 112 HE2 LYS 26 HE2 LYS 26 -9.442 -14.410 3.335 113 HE3 LYS 26 HE3 LYS 26 -8.582 -14.198 1.797 114 HZ1 LYS 26 HZ1 LYS 26 -8.348 -16.446 2.427 115 HZ2 LYS 26 HZ2 LYS 26 -7.838 -16.084 3.972 116 HZ3 LYS 26 HZ3 LYS 26 -6.896 -15.754 2.669 117 HA PRO 27 HA PRO 27 -6.296 -6.406 6.389 118 HB2 PRO 27 HB2 PRO 27 -6.859 -7.859 8.977 119 HB3 PRO 27 HB3 PRO 27 -6.968 -6.106 8.616 120 HG2 PRO 27 HG2 PRO 27 -9.219 -7.588 8.654 121 HG3 PRO 27 HG3 PRO 27 -8.955 -6.438 7.302 122 HD2 PRO 27 HD2 PRO 27 -8.453 -9.427 7.340 123 HD3 PRO 27 HD3 PRO 27 -9.319 -8.425 6.137 124 H GLU 28 H GLU 28 -5.387 -9.763 7.417 125 HA GLU 28 HA GLU 28 -2.583 -8.796 7.856 126 HB2 GLU 28 HB2 GLU 28 -3.868 -11.493 8.445 127 HB3 GLU 28 HB3 GLU 28 -2.172 -11.094 8.630 128 HG2 GLU 28 HG2 GLU 28 -2.768 -9.393 10.348 129 HG3 GLU 28 HG3 GLU 28 -4.461 -9.911 10.228 130 H SER 29 H SER 29 -4.186 -11.460 6.070 131 HA SER 29 HA SER 29 -1.627 -12.153 4.889 132 HB2 SER 29 HB2 SER 29 -3.104 -13.936 3.734 133 HB3 SER 29 HB3 SER 29 -2.871 -13.999 5.488 134 HG SER 29 HG SER 29 -4.872 -13.606 5.813 135 H TRP 30 H TRP 30 -4.171 -10.127 3.837 136 HA TRP 30 HA TRP 30 -2.967 -10.026 1.119 137 HB2 TRP 30 HB2 TRP 30 -5.558 -10.530 1.666 138 HB3 TRP 30 HB3 TRP 30 -5.607 -8.791 1.470 139 HD1 TRP 30 HD1 TRP 30 -4.790 -7.923 -1.015 140 HE1 TRP 30 HE1 TRP 30 -5.066 -9.024 -3.312 141 HE3 TRP 30 HE3 TRP 30 -5.460 -12.776 0.491 142 HZ2 TRP 30 HZ2 TRP 30 -5.364 -11.697 -4.372 143 HZ3 TRP 30 HZ3 TRP 30 -5.756 -14.577 -1.187 144 HH2 TRP 30 HH2 TRP 30 -5.691 -14.059 -3.620 145 H GLN 31 H GLN 31 -3.335 -8.130 4.057 146 HA GLN 31 HA GLN 31 -2.340 -5.628 3.098 147 HB2 GLN 31 HB2 GLN 31 -2.964 -5.910 5.335 148 HB3 GLN 31 HB3 GLN 31 -1.804 -7.200 5.626 149 HG2 GLN 31 HG2 GLN 31 -0.963 -4.363 4.885 150 HG3 GLN 31 HG3 GLN 31 -1.306 -4.838 6.542 151 HE21 GLN 31 HE21 GLN 31 1.208 -3.850 6.160 152 HE22 GLN 31 HE22 GLN 31 2.373 -5.180 6.043 153 H ARG 32 H ARG 32 -0.742 -8.753 3.494 154 HA ARG 32 HA ARG 32 1.890 -8.054 2.658 155 HB2 ARG 32 HB2 ARG 32 1.094 -10.108 3.830 156 HB3 ARG 32 HB3 ARG 32 0.369 -10.665 2.318 157 HG2 ARG 32 HG2 ARG 32 2.558 -10.838 1.276 158 HG3 ARG 32 HG3 ARG 32 3.343 -10.096 2.682 159 HD2 ARG 32 HD2 ARG 32 2.745 -11.959 4.106 160 HD3 ARG 32 HD3 ARG 32 1.715 -12.673 2.883 161 HE ARG 32 HE ARG 32 4.589 -12.947 3.114 162 HH11 ARG 32 HH11 ARG 32 1.950 -13.180 0.795 163 HH12 ARG 32 HH12 ARG 32 3.030 -13.621 -0.507 164 HH21 ARG 32 HH21 ARG 32 5.783 -13.914 1.571 165 HH22 ARG 32 HH22 ARG 32 5.128 -14.253 -0.026 166 H ASP 33 H ASP 33 -0.946 -8.096 0.625 167 HA ASP 33 HA ASP 33 0.435 -8.827 -1.821 168 HB2 ASP 33 HB2 ASP 33 -2.039 -9.187 -1.323 169 HB3 ASP 33 HB3 ASP 33 -2.267 -7.447 -1.620 170 H CYS 34 H CYS 34 0.488 -5.911 -0.066 171 HA CYS 34 HA CYS 34 1.809 -4.670 -2.441 172 HB2 CYS 34 2HB CYS 34 1.188 -2.441 -1.339 173 HB3 CYS 34 3HB CYS 34 0.004 -3.258 -2.345 174 H HIS 35 H HIS 35 3.673 -5.658 -1.760 175 HA HIS 35 HA HIS 35 5.038 -4.620 0.668 176 HB2 HIS 35 2HB HIS 35 6.878 -6.209 -0.238 177 HB3 HIS 35 3HB HIS 35 5.457 -6.862 0.561 178 HD1 HIS 35 1HD HIS 35 3.734 -8.297 -0.889 179 HD2 HIS 35 2HD HIS 35 7.057 -6.714 -2.951 180 HE1 HIS 35 1HE HIS 35 3.720 -9.361 -3.212 181 H TYR 36 H TYR 36 5.430 -4.690 -2.899 182 HA TYR 36 HA TYR 36 7.739 -2.951 -2.854 183 HB2 TYR 36 HB2 TYR 36 7.141 -4.749 -4.546 184 HB3 TYR 36 HB3 TYR 36 5.921 -3.663 -5.192 185 HD1 TYR 36 HD1 TYR 36 6.621 -1.549 -6.368 186 HD2 TYR 36 HD2 TYR 36 9.490 -4.442 -4.934 187 HE1 TYR 36 HE1 TYR 36 8.379 -0.494 -7.759 188 HE2 TYR 36 HE2 TYR 36 11.244 -3.385 -6.341 189 HH TYR 36 HH TYR 36 10.561 -0.541 -8.403 190 H LEU 37 H LEU 37 4.279 -2.433 -3.429 191 HA LEU 37 HA LEU 37 4.458 0.372 -4.072 192 HB2 LEU 37 HB2 LEU 37 2.155 -1.241 -2.913 193 HB3 LEU 37 HB3 LEU 37 2.058 0.406 -3.498 194 HG LEU 37 HG LEU 37 1.089 -0.995 -5.114 195 HD11 LEU 37 HD11 LEU 37 3.832 -0.234 -6.199 196 HD12 LEU 37 HD12 LEU 37 2.456 0.875 -5.992 197 HD13 LEU 37 HD13 LEU 37 2.341 -0.481 -7.122 198 HD21 LEU 37 HD21 LEU 37 2.254 -3.131 -4.502 199 HD22 LEU 37 HD22 LEU 37 3.655 -2.586 -5.469 200 HD23 LEU 37 HD23 LEU 37 2.095 -2.836 -6.233 201 H LYS 38 H LYS 38 3.981 -1.368 -0.976 202 HA LYS 38 HA LYS 38 3.882 0.862 0.770 203 HB2 LYS 38 HB2 LYS 38 3.161 -1.351 1.347 204 HB3 LYS 38 HB3 LYS 38 4.776 -2.019 1.150 205 HG2 LYS 38 HG2 LYS 38 5.562 -0.815 3.143 206 HG3 LYS 38 HG3 LYS 38 3.961 -0.045 3.306 207 HD2 LYS 38 HD2 LYS 38 2.938 -2.316 3.491 208 HD3 LYS 38 HD3 LYS 38 4.535 -3.051 3.451 209 HE2 LYS 38 HE2 LYS 38 3.664 -1.015 5.558 210 HE3 LYS 38 HE3 LYS 38 3.350 -2.739 5.706 211 HZ1 LYS 38 HZ1 LYS 38 5.814 -3.087 5.556 212 HZ2 LYS 38 HZ2 LYS 38 5.280 -2.300 6.898 213 HZ3 LYS 38 HZ3 LYS 38 6.019 -1.467 5.701 214 H MET 39 H MET 39 6.689 -0.478 -0.834 215 HA MET 39 HA MET 39 8.517 1.265 0.706 216 HB2 MET 39 HB2 MET 39 9.251 -0.957 -0.085 217 HB3 MET 39 HB3 MET 39 8.995 -0.460 -1.761 218 HG2 MET 39 HG2 MET 39 11.347 -0.355 -1.132 219 HG3 MET 39 HG3 MET 39 10.746 1.240 -1.559 220 HE1 MET 39 HE1 MET 39 13.617 1.662 1.172 221 HE2 MET 39 HE2 MET 39 13.459 0.281 0.068 222 HE3 MET 39 HE3 MET 39 13.165 1.927 -0.524 223 H SER 40 H SER 40 7.097 1.164 -2.591 224 HA SER 40 HA SER 40 8.401 3.469 -3.617 225 HB2 SER 40 HB2 SER 40 5.684 2.320 -4.370 226 HB3 SER 40 HB3 SER 40 6.628 3.478 -5.324 227 HG SER 40 HG SER 40 7.360 0.807 -4.636 228 H ILE 41 H ILE 41 5.329 3.277 -1.781 229 HA ILE 41 HA ILE 41 4.574 6.029 -2.086 230 HB ILE 41 HB ILE 41 3.176 5.653 -0.097 231 HG12 ILE 41 HG12 ILE 41 4.525 2.951 0.146 232 HG13 ILE 41 HG13 ILE 41 4.715 4.299 1.246 233 HG21 ILE 41 HG21 ILE 41 3.140 3.623 -2.369 234 HG22 ILE 41 HG22 ILE 41 1.921 3.576 -1.111 235 HG23 ILE 41 HG23 ILE 41 2.102 5.020 -2.093 236 HD11 ILE 41 HD11 ILE 41 3.255 2.742 2.264 237 HD12 ILE 41 HD12 ILE 41 2.319 4.183 1.842 238 HD13 ILE 41 HD13 ILE 41 2.186 2.697 0.864 239 H ALA 42 H ALA 42 6.825 4.510 0.167 240 HA ALA 42 HA ALA 42 7.250 6.926 1.730 241 HB1 ALA 42 HB1 ALA 42 9.041 5.608 2.755 242 HB2 ALA 42 HB2 ALA 42 7.561 4.639 2.635 243 HB3 ALA 42 HB3 ALA 42 8.900 4.366 1.499 244 H GLN 43 H GLN 43 8.802 5.466 -1.160 245 HA GLN 43 HA GLN 43 10.938 7.446 -1.241 246 HB2 GLN 43 HB2 GLN 43 9.821 5.547 -3.351 247 HB3 GLN 43 HB3 GLN 43 11.193 6.639 -3.619 248 HG2 GLN 43 HG2 GLN 43 12.345 5.649 -1.639 249 HG3 GLN 43 HG3 GLN 43 11.051 4.463 -1.480 250 HE21 GLN 43 HE21 GLN 43 13.692 3.754 -1.737 251 HE22 GLN 43 HE22 GLN 43 13.976 2.980 -3.283 252 H CYS 44 H CYS 44 7.622 7.412 -2.578 253 HA CYS 44 HA CYS 44 7.849 9.754 -4.145 254 HB2 CYS 44 2HB CYS 44 5.969 8.105 -4.057 255 HB3 CYS 44 3HB CYS 44 5.406 8.867 -2.565 256 H THR 45 H THR 45 7.429 9.486 -0.604 257 HA THR 45 HA THR 45 7.493 12.424 -0.265 258 HB THR 45 HB THR 45 7.404 11.885 2.171 259 HG1 THR 45 HG1 THR 45 6.569 9.639 2.469 260 HG21 THR 45 HG21 THR 45 5.364 12.309 0.757 261 HG22 THR 45 HG22 THR 45 5.066 11.281 2.158 262 HG23 THR 45 HG23 THR 45 5.198 10.557 0.538 263 H SER 46 H SER 46 9.741 9.693 0.259 264 HA SER 46 HA SER 46 11.690 11.335 1.590 265 HB2 SER 46 HB2 SER 46 11.397 9.013 2.161 266 HB3 SER 46 HB3 SER 46 11.904 8.506 0.540 267 HG SER 46 HG SER 46 13.521 8.512 2.337 268 H SER 47 H SER 47 11.959 9.704 -1.643 269 HA SER 47 HA SER 47 14.347 11.419 -2.215 270 HB2 SER 47 HB2 SER 47 15.101 9.515 -3.581 271 HB3 SER 47 HB3 SER 47 14.928 9.121 -1.866 272 HG SER 47 HG SER 47 14.067 7.553 -3.351 273 H HIS 48 H HIS 48 11.229 10.702 -3.341 274 HA HIS 48 HA HIS 48 9.997 11.205 -5.098 275 HB2 HIS 48 2HB HIS 48 10.594 13.381 -3.886 276 HB3 HIS 48 3HB HIS 48 11.542 13.786 -5.313 277 HD1 HIS 48 1HD HIS 48 7.904 12.856 -4.335 278 HD2 HIS 48 2HD HIS 48 10.124 14.806 -7.335 279 HE1 HIS 48 1HE HIS 48 6.205 13.939 -5.913 280 HA PRO 49 HA PRO 49 12.585 10.159 -8.809 281 HB2 PRO 49 HB2 PRO 49 12.054 7.510 -9.039 282 HB3 PRO 49 HB3 PRO 49 13.397 8.101 -8.014 283 HG2 PRO 49 HG2 PRO 49 10.600 7.312 -7.136 284 HG3 PRO 49 HG3 PRO 49 12.168 6.819 -6.422 285 HD2 PRO 49 HD2 PRO 49 10.671 8.892 -5.426 286 HD3 PRO 49 HD3 PRO 49 12.460 8.883 -5.381 287 H ILE 50 H ILE 50 11.496 10.170 -10.761 288 HA ILE 50 HA ILE 50 8.633 9.461 -10.885 289 HB ILE 50 HB ILE 50 8.130 11.583 -12.150 290 HG12 ILE 50 HG12 ILE 50 10.583 12.697 -10.713 291 HG13 ILE 50 HG13 ILE 50 10.521 12.333 -12.436 292 HG21 ILE 50 HG21 ILE 50 8.718 11.951 -9.188 293 HG22 ILE 50 HG22 ILE 50 7.480 12.777 -10.152 294 HG23 ILE 50 HG23 ILE 50 7.333 11.046 -9.849 295 HD11 ILE 50 HD11 ILE 50 10.160 14.698 -12.128 296 HD12 ILE 50 HD12 ILE 50 8.638 13.974 -12.688 297 HD13 ILE 50 HD13 ILE 50 8.849 14.419 -10.976 298 H ILE 51 H ILE 51 7.907 8.750 -12.773 299 HA ILE 51 HA ILE 51 9.855 7.879 -14.710 300 HB ILE 51 HB ILE 51 7.936 6.558 -13.792 301 HG12 ILE 51 HG12 ILE 51 8.036 6.644 -16.829 302 HG13 ILE 51 HG13 ILE 51 9.222 5.854 -15.786 303 HG21 ILE 51 HG21 ILE 51 5.703 6.802 -14.663 304 HG22 ILE 51 HG22 ILE 51 6.207 8.368 -14.048 305 HG23 ILE 51 HG23 ILE 51 6.207 8.068 -15.801 306 HD11 ILE 51 HD11 ILE 51 7.713 4.192 -16.644 307 HD12 ILE 51 HD12 ILE 51 7.435 4.364 -14.902 308 HD13 ILE 51 HD13 ILE 51 6.296 5.081 -16.070 309 H ARG 52 H ARG 52 9.783 8.168 -17.037 310 HA ARG 52 HA ARG 52 9.809 10.803 -17.943 311 HB2 ARG 52 HB2 ARG 52 9.361 8.261 -19.535 312 HB3 ARG 52 HB3 ARG 52 9.652 9.836 -20.274 313 HG2 ARG 52 HG2 ARG 52 11.851 10.002 -19.269 314 HG3 ARG 52 HG3 ARG 52 11.571 8.548 -18.306 315 HD2 ARG 52 HD2 ARG 52 11.303 7.248 -20.448 316 HD3 ARG 52 HD3 ARG 52 11.843 8.688 -21.332 317 HE ARG 52 HE ARG 52 13.852 8.419 -19.530 318 HH11 ARG 52 HH11 ARG 52 12.476 5.920 -21.615 319 HH12 ARG 52 HH12 ARG 52 13.828 4.849 -21.269 320 HH21 ARG 52 HH21 ARG 52 15.600 6.978 -19.340 321 HH22 ARG 52 HH22 ARG 52 15.495 5.472 -20.240 322 H GLN 53 H GLN 53 6.929 8.655 -18.277 323 HA GLN 53 HA GLN 53 5.281 10.456 -19.632 324 HB2 GLN 53 HB2 GLN 53 4.800 8.044 -19.090 325 HB3 GLN 53 HB3 GLN 53 4.387 8.542 -17.442 326 HG2 GLN 53 HG2 GLN 53 2.573 10.015 -18.402 327 HG3 GLN 53 HG3 GLN 53 3.000 9.440 -20.014 328 HE21 GLN 53 HE21 GLN 53 0.588 8.898 -19.933 329 HE22 GLN 53 HE22 GLN 53 0.183 7.326 -19.236 330 H ILE 54 H ILE 54 6.117 10.595 -16.186 331 HA ILE 54 HA ILE 54 4.169 12.772 -15.650 332 HB ILE 54 HB ILE 54 6.333 11.505 -13.929 333 HG12 ILE 54 HG12 ILE 54 4.567 9.907 -14.295 334 HG13 ILE 54 HG13 ILE 54 4.477 10.507 -12.651 335 HG21 ILE 54 HG21 ILE 54 5.272 12.697 -12.034 336 HG22 ILE 54 HG22 ILE 54 6.005 13.799 -13.190 337 HG23 ILE 54 HG23 ILE 54 4.246 13.592 -13.179 338 HD11 ILE 54 HD11 ILE 54 2.246 10.269 -13.555 339 HD12 ILE 54 HD12 ILE 54 2.562 12.003 -13.368 340 HD13 ILE 54 HD13 ILE 54 2.645 11.245 -14.977 341 H ARG 55 H ARG 55 7.703 12.327 -16.019 342 HA ARG 55 HA ARG 55 8.480 15.016 -15.554 343 HB2 ARG 55 HB2 ARG 55 9.740 12.933 -17.386 344 HB3 ARG 55 HB3 ARG 55 10.500 14.462 -16.941 345 HG2 ARG 55 HG2 ARG 55 10.514 13.853 -14.574 346 HG3 ARG 55 HG3 ARG 55 9.617 12.373 -14.901 347 HD2 ARG 55 HD2 ARG 55 11.874 11.744 -14.569 348 HD3 ARG 55 HD3 ARG 55 11.536 11.547 -16.292 349 HE ARG 55 HE ARG 55 12.659 14.165 -15.798 350 HH11 ARG 55 HH11 ARG 55 13.778 10.810 -15.772 351 HH12 ARG 55 HH12 ARG 55 15.431 11.317 -16.016 352 HH21 ARG 55 HH21 ARG 55 14.646 14.663 -16.240 353 HH22 ARG 55 HH22 ARG 55 15.870 13.428 -16.565 354 H GLN 56 H GLN 56 7.415 13.598 -18.693 355 HA GLN 56 HA GLN 56 7.733 16.040 -20.148 356 HB2 GLN 56 HB2 GLN 56 6.442 15.010 -21.890 357 HB3 GLN 56 HB3 GLN 56 7.559 13.833 -21.203 358 HG2 GLN 56 HG2 GLN 56 5.668 12.859 -19.897 359 HG3 GLN 56 HG3 GLN 56 4.560 14.007 -20.655 360 HE21 GLN 56 HE21 GLN 56 4.355 13.871 -23.126 361 HE22 GLN 56 HE22 GLN 56 4.668 12.297 -23.849 362 H ALA 57 H ALA 57 5.063 15.028 -18.048 363 HA ALA 57 HA ALA 57 3.256 17.112 -19.055 364 HB1 ALA 57 HB1 ALA 57 1.681 16.140 -17.452 365 HB2 ALA 57 HB2 ALA 57 2.421 14.888 -18.455 366 HB3 ALA 57 HB3 ALA 57 2.966 15.115 -16.775 367 H CYS 58 H CYS 58 5.707 16.923 -16.678 368 HA CYS 58 HA CYS 58 4.780 19.388 -15.283 369 HB2 CYS 58 2HB CYS 58 6.904 17.298 -14.709 370 HB3 CYS 58 3HB CYS 58 6.788 18.801 -13.822 371 H ALA 59 H ALA 59 6.465 18.749 -18.076 372 HA ALA 59 HA ALA 59 8.995 19.898 -17.583 373 HB1 ALA 59 HB1 ALA 59 9.315 19.583 -20.006 374 HB2 ALA 59 HB2 ALA 59 8.568 18.165 -19.258 375 HB3 ALA 59 HB3 ALA 59 7.576 19.296 -20.202 376 H GLN 60 H GLN 60 6.085 21.503 -19.013 377 HA GLN 60 HA GLN 60 7.640 23.651 -20.139 378 HB2 GLN 60 HB2 GLN 60 4.676 23.576 -19.496 379 HB3 GLN 60 HB3 GLN 60 5.513 24.840 -20.404 380 HG2 GLN 60 HG2 GLN 60 6.351 22.923 -21.941 381 HG3 GLN 60 HG3 GLN 60 5.075 21.949 -21.206 382 HE21 GLN 60 HE21 GLN 60 2.850 23.227 -21.115 383 HE22 GLN 60 HE22 GLN 60 2.445 24.153 -22.553 384 HA PRO 61 HA PRO 61 6.826 26.255 -16.213 385 HB2 PRO 61 HB2 PRO 61 6.299 24.897 -13.849 386 HB3 PRO 61 HB3 PRO 61 5.066 25.682 -14.877 387 HG2 PRO 61 HG2 PRO 61 5.876 22.775 -14.812 388 HG3 PRO 61 HG3 PRO 61 4.224 23.465 -14.859 389 HD2 PRO 61 HD2 PRO 61 5.419 22.527 -17.080 390 HD3 PRO 61 HD3 PRO 61 4.416 24.000 -17.149 391 H PHE 62 H PHE 62 8.191 22.936 -16.020 392 HA PHE 62 HA PHE 62 10.444 23.506 -14.388 393 HB2 PHE 62 HB2 PHE 62 9.474 21.313 -15.733 394 HB3 PHE 62 HB3 PHE 62 10.873 21.681 -16.706 395 HD1 PHE 62 HD1 PHE 62 12.948 22.470 -14.780 396 HD2 PHE 62 HD2 PHE 62 9.904 19.424 -14.499 397 HE1 PHE 62 HE1 PHE 62 14.338 21.213 -13.156 398 HE2 PHE 62 HE2 PHE 62 11.337 18.147 -12.922 399 HZ PHE 62 HZ PHE 62 13.543 19.055 -12.233 400 H GLU 63 H GLU 63 10.083 23.851 -17.957 401 HA GLU 63 HA GLU 63 12.786 24.659 -18.328 402 HB2 GLU 63 HB2 GLU 63 11.274 23.612 -20.063 403 HB3 GLU 63 HB3 GLU 63 10.303 25.085 -20.094 404 HG2 GLU 63 HG2 GLU 63 12.284 26.333 -20.977 405 HG3 GLU 63 HG3 GLU 63 13.202 24.830 -20.990 406 H ALA 64 H ALA 64 10.060 26.627 -17.415 407 HA ALA 64 HA ALA 64 11.628 29.130 -17.813 408 HB1 ALA 64 HB1 ALA 64 9.211 29.136 -18.311 409 HB2 ALA 64 HB2 ALA 64 8.852 28.638 -16.641 410 HB3 ALA 64 HB3 ALA 64 9.592 30.223 -16.960 411 H PHE 65 H PHE 65 10.388 27.127 -15.092 412 HA PHE 65 HA PHE 65 11.535 29.004 -13.172 413 HB2 PHE 65 HB2 PHE 65 10.037 26.411 -12.749 414 HB3 PHE 65 HB3 PHE 65 10.388 27.601 -11.519 415 HD1 PHE 65 HD2 PHE 65 9.683 30.148 -13.242 416 HD2 PHE 65 HD1 PHE 65 7.654 26.408 -12.516 417 HE1 PHE 65 HE2 PHE 65 7.511 31.236 -13.674 418 HE2 PHE 65 HE1 PHE 65 5.477 27.514 -12.934 419 HZ PHE 65 HZ PHE 65 5.402 29.936 -13.520 420 H GLU 66 H GLU 66 12.820 26.001 -14.565 421 HA GLU 66 HA GLU 66 14.875 25.968 -12.407 422 HB2 GLU 66 HB2 GLU 66 14.393 23.857 -13.339 423 HB3 GLU 66 HB3 GLU 66 14.564 24.423 -14.995 424 HG2 GLU 66 HG2 GLU 66 16.987 24.782 -14.650 425 HG3 GLU 66 HG3 GLU 66 16.814 24.353 -12.942 426 H GLU 67 H GLU 67 14.334 27.488 -15.532 427 HA GLU 67 HA GLU 67 17.050 28.156 -16.132 428 HB2 GLU 67 HB2 GLU 67 15.069 27.901 -17.687 429 HB3 GLU 67 HB3 GLU 67 14.518 29.480 -17.161 430 HG2 GLU 67 HG2 GLU 67 15.654 29.659 -19.289 431 HG3 GLU 67 HG3 GLU 67 16.582 30.498 -18.060 432 H CYS 68 H CYS 68 14.611 29.832 -14.211 433 HA CYS 68 HA CYS 68 16.014 32.348 -14.090 434 HB2 CYS 68 2HB CYS 68 13.599 31.905 -13.524 435 HB3 CYS 68 3HB CYS 68 14.130 31.253 -11.970 436 H LEU 69 H LEU 69 15.957 29.636 -11.646 437 HA LEU 69 HA LEU 69 18.166 30.531 -10.161 438 HB2 LEU 69 HB2 LEU 69 16.757 27.852 -10.534 439 HB3 LEU 69 HB3 LEU 69 18.088 28.072 -9.424 440 HG LEU 69 HG LEU 69 16.751 29.841 -8.206 441 HD11 LEU 69 HD11 LEU 69 14.275 29.699 -8.423 442 HD12 LEU 69 HD12 LEU 69 14.475 28.774 -9.931 443 HD13 LEU 69 HD13 LEU 69 15.034 30.469 -9.798 444 HD21 LEU 69 HD21 LEU 69 15.343 28.134 -7.064 445 HD22 LEU 69 HD22 LEU 69 16.976 27.550 -7.379 446 HD23 LEU 69 HD23 LEU 69 15.651 27.013 -8.418 447 H ARG 70 H ARG 70 18.069 28.674 -13.222 448 HA ARG 70 HA ARG 70 20.695 27.649 -13.172 449 HB2 ARG 70 HB2 ARG 70 18.850 27.299 -14.861 450 HB3 ARG 70 HB3 ARG 70 19.315 28.840 -15.598 451 HG2 ARG 70 HG2 ARG 70 21.541 27.908 -16.136 452 HG3 ARG 70 HG3 ARG 70 21.134 26.398 -15.273 453 HD2 ARG 70 HD2 ARG 70 19.210 26.043 -16.790 454 HD3 ARG 70 HD3 ARG 70 19.584 27.563 -17.604 455 HE ARG 70 HE ARG 70 21.809 25.679 -17.682 456 HH11 ARG 70 HH11 ARG 70 18.898 26.705 -19.452 457 HH12 ARG 70 HH12 ARG 70 19.635 26.130 -20.957 458 HH21 ARG 70 HH21 ARG 70 22.492 24.987 -19.571 459 HH22 ARG 70 HH22 ARG 70 21.513 25.231 -21.038 460 H GLN 71 H GLN 71 19.671 30.954 -13.824 461 HA GLN 71 HA GLN 71 22.496 31.863 -14.073 462 HB2 GLN 71 HB2 GLN 71 19.994 33.539 -14.327 463 HB3 GLN 71 HB3 GLN 71 21.629 33.946 -14.838 464 HG2 GLN 71 HG2 GLN 71 19.794 31.855 -16.083 465 HG3 GLN 71 HG3 GLN 71 20.219 33.421 -16.749 466 HE21 GLN 71 HE21 GLN 71 22.190 33.622 -17.934 467 HE22 GLN 71 HE22 GLN 71 23.155 32.191 -18.304 468 H ASN 72 H ASN 72 19.867 31.995 -11.670 469 HA ASN 72 HA ASN 72 21.692 33.451 -9.822 470 HB2 ASN 72 HB2 ASN 72 18.824 34.316 -10.290 471 HB3 ASN 72 HB3 ASN 72 19.964 35.024 -9.182 472 HD21 ASN 72 HD21 ASN 72 21.979 35.975 -10.056 473 HD22 ASN 72 HD22 ASN 72 21.846 36.822 -11.591 474 H GLU 73 H GLU 73 20.966 30.626 -9.656 475 HA GLU 73 HA GLU 73 18.881 30.021 -7.906 476 HB2 GLU 73 HB2 GLU 73 20.210 28.288 -8.973 477 HB3 GLU 73 HB3 GLU 73 21.671 28.784 -8.121 478 HG2 GLU 73 HG2 GLU 73 20.805 27.904 -6.063 479 HG3 GLU 73 HG3 GLU 73 19.178 27.728 -6.741 480 H ALA 74 H ALA 74 22.013 31.521 -7.191 481 HA ALA 74 HA ALA 74 22.083 31.105 -4.329 482 HB1 ALA 74 HB1 ALA 74 23.489 33.087 -6.174 483 HB2 ALA 74 HB2 ALA 74 24.004 32.655 -4.525 484 HB3 ALA 74 HB3 ALA 74 24.059 31.439 -5.819 485 H ALA 75 H ALA 75 20.402 33.403 -6.335 486 HA ALA 75 HA ALA 75 20.035 35.327 -4.082 487 HB1 ALA 75 HB1 ALA 75 19.834 37.054 -5.758 488 HB2 ALA 75 HB2 ALA 75 21.356 36.174 -6.007 489 HB3 ALA 75 HB3 ALA 75 19.965 35.865 -7.070 490 H VAL 76 H VAL 76 18.468 33.490 -3.572 491 HA VAL 76 HA VAL 76 16.277 32.886 -5.242 492 HB VAL 76 HB VAL 76 16.666 32.576 -2.238 493 HG11 VAL 76 HG11 VAL 76 14.712 31.125 -4.045 494 HG12 VAL 76 HG12 VAL 76 15.065 30.680 -2.366 495 HG13 VAL 76 HG13 VAL 76 14.289 32.224 -2.707 496 HG21 VAL 76 HG21 VAL 76 18.401 31.419 -3.536 497 HG22 VAL 76 HG22 VAL 76 17.306 30.237 -2.838 498 HG23 VAL 76 HG23 VAL 76 17.166 30.657 -4.560 499 H GLY 77 H GLY 77 16.684 35.607 -3.090 500 HA2 GLY 77 HA2 GLY 77 13.934 36.402 -2.759 501 HA3 GLY 77 HA3 GLY 77 15.368 37.434 -2.684 502 H ASN 78 H ASN 78 16.164 36.627 -5.529 503 HA ASN 78 HA ASN 78 14.363 38.420 -7.034 504 HB2 ASN 78 HB2 ASN 78 16.813 36.827 -7.905 505 HB3 ASN 78 HB3 ASN 78 15.879 37.897 -8.941 506 HD21 ASN 78 HD21 ASN 78 15.727 40.297 -8.188 507 HD22 ASN 78 HD22 ASN 78 17.251 40.882 -7.530 508 H CYS 79 H CYS 79 15.179 34.861 -7.065 509 HA CYS 79 HA CYS 79 12.366 34.396 -7.565 510 HB2 CYS 79 2HB CYS 79 12.672 32.991 -9.597 511 HB3 CYS 79 3HB CYS 79 12.924 34.711 -9.833 512 H ALA 80 H ALA 80 11.640 32.631 -6.662 513 HA ALA 80 HA ALA 80 13.499 30.485 -5.743 514 HB1 ALA 80 HB1 ALA 80 10.814 31.406 -4.618 515 HB2 ALA 80 HB2 ALA 80 11.936 30.247 -3.875 516 HB3 ALA 80 HB3 ALA 80 12.391 31.955 -4.028 517 H GLU 81 H GLU 81 11.503 30.875 -8.215 518 HA GLU 81 HA GLU 81 9.248 29.436 -7.782 519 HB2 GLU 81 HB2 GLU 81 10.549 29.702 -10.507 520 HB3 GLU 81 HB3 GLU 81 8.824 29.554 -10.153 521 HG2 GLU 81 HG2 GLU 81 10.636 31.925 -9.525 522 HG3 GLU 81 HG3 GLU 81 9.409 31.836 -10.777 523 H HIS 82 H HIS 82 12.291 27.871 -8.646 524 HA HIS 82 HA HIS 82 11.207 25.417 -9.580 525 HB2 HIS 82 2HB HIS 82 13.595 26.043 -9.763 526 HB3 HIS 82 3HB HIS 82 13.763 25.785 -8.017 527 HD1 HIS 82 1HD HIS 82 13.874 23.265 -7.201 528 HD2 HIS 82 2HD HIS 82 12.973 23.783 -11.275 529 HE1 HIS 82 1HE HIS 82 13.792 20.921 -8.221 530 H MET 83 H MET 83 11.495 26.686 -6.260 531 HA MET 83 HA MET 83 10.960 24.192 -4.897 532 HB2 MET 83 HB2 MET 83 12.001 26.293 -3.945 533 HB3 MET 83 HB3 MET 83 10.397 27.039 -3.966 534 HG2 MET 83 HG2 MET 83 9.574 25.260 -2.432 535 HG3 MET 83 HG3 MET 83 11.173 24.507 -2.464 536 HE1 MET 83 HE1 MET 83 11.131 25.840 1.181 537 HE2 MET 83 HE2 MET 83 9.805 25.083 0.269 538 HE3 MET 83 HE3 MET 83 11.461 24.461 0.113 539 H ARG 84 H ARG 84 8.873 26.601 -6.445 540 HA ARG 84 HA ARG 84 6.399 25.357 -5.397 541 HB2 ARG 84 HB2 ARG 84 6.576 27.809 -5.656 542 HB3 ARG 84 HB3 ARG 84 6.797 27.612 -7.395 543 HG2 ARG 84 HG2 ARG 84 4.514 28.254 -6.828 544 HG3 ARG 84 HG3 ARG 84 4.552 26.675 -7.620 545 HD2 ARG 84 HD2 ARG 84 4.192 25.553 -5.455 546 HD3 ARG 84 HD3 ARG 84 4.269 27.118 -4.614 547 HE ARG 84 HE ARG 84 2.314 27.304 -6.668 548 HH11 ARG 84 HH11 ARG 84 2.522 25.707 -3.485 549 HH12 ARG 84 HH12 ARG 84 0.763 25.596 -3.458 550 HH21 ARG 84 HH21 ARG 84 0.192 27.312 -6.311 551 HH22 ARG 84 HH22 ARG 84 -0.456 26.487 -4.903 552 H ARG 85 H ARG 85 8.127 25.553 -8.473 553 HA ARG 85 HA ARG 85 6.618 23.871 -10.170 554 HB2 ARG 85 HB2 ARG 85 8.626 25.258 -10.665 555 HB3 ARG 85 HB3 ARG 85 9.608 24.140 -9.746 556 HG2 ARG 85 HG2 ARG 85 8.206 23.132 -12.201 557 HG3 ARG 85 HG3 ARG 85 9.598 24.179 -12.341 558 HD2 ARG 85 HD2 ARG 85 10.750 22.241 -12.372 559 HD3 ARG 85 HD3 ARG 85 10.753 22.526 -10.637 560 HE ARG 85 HE ARG 85 8.512 20.930 -11.708 561 HH11 ARG 85 HH11 ARG 85 11.721 20.630 -10.241 562 HH12 ARG 85 HH12 ARG 85 11.386 18.964 -9.791 563 HH21 ARG 85 HH21 ARG 85 8.204 18.932 -10.985 564 HH22 ARG 85 HH22 ARG 85 9.350 18.141 -9.939 565 H PHE 86 H PHE 86 9.108 22.869 -7.769 566 HA PHE 86 HA PHE 86 8.854 20.089 -8.177 567 HB2 PHE 86 HB2 PHE 86 10.704 21.145 -6.969 568 HB3 PHE 86 HB3 PHE 86 9.620 21.640 -5.677 569 HD1 PHE 86 HD2 PHE 86 11.353 18.766 -7.257 570 HD2 PHE 86 HD1 PHE 86 8.813 20.021 -4.003 571 HE1 PHE 86 HE2 PHE 86 11.753 16.604 -6.106 572 HE2 PHE 86 HE1 PHE 86 9.211 17.853 -2.863 573 HZ PHE 86 HZ PHE 86 10.675 16.142 -3.911 574 H LEU 87 H LEU 87 7.149 22.142 -5.791 575 HA LEU 87 HA LEU 87 5.670 19.987 -4.617 576 HB2 LEU 87 HB2 LEU 87 6.408 22.334 -3.732 577 HB3 LEU 87 HB3 LEU 87 4.958 22.942 -4.503 578 HG LEU 87 HG LEU 87 4.717 22.608 -2.104 579 HD11 LEU 87 HD11 LEU 87 2.699 22.295 -3.515 580 HD12 LEU 87 HD12 LEU 87 2.667 21.390 -1.989 581 HD13 LEU 87 HD13 LEU 87 2.992 20.537 -3.498 582 HD21 LEU 87 HD21 LEU 87 4.754 20.471 -1.009 583 HD22 LEU 87 HD22 LEU 87 6.299 20.708 -1.834 584 HD23 LEU 87 HD23 LEU 87 5.074 19.615 -2.530 585 H GLN 88 H GLN 88 4.729 22.408 -7.112 586 HA GLN 88 HA GLN 88 2.031 21.456 -7.359 587 HB2 GLN 88 HB2 GLN 88 3.872 23.021 -9.195 588 HB3 GLN 88 HB3 GLN 88 2.222 22.618 -9.659 589 HG2 GLN 88 HG2 GLN 88 2.781 24.070 -7.042 590 HG3 GLN 88 HG3 GLN 88 2.669 24.915 -8.580 591 HE21 GLN 88 HE21 GLN 88 0.722 25.970 -8.568 592 HE22 GLN 88 HE22 GLN 88 -0.815 25.111 -8.378 593 H CYS 89 H CYS 89 5.049 20.367 -9.003 594 HA CYS 89 HA CYS 89 3.655 18.412 -10.613 595 HB2 CYS 89 2HB CYS 89 5.895 19.345 -11.091 596 HB3 CYS 89 3HB CYS 89 6.527 18.472 -9.691 597 H ALA 90 H ALA 90 5.165 18.266 -7.335 598 HA ALA 90 HA ALA 90 4.680 15.486 -6.891 599 HB1 ALA 90 HB1 ALA 90 6.319 16.869 -5.644 600 HB2 ALA 90 HB2 ALA 90 4.979 17.761 -4.888 601 HB3 ALA 90 HB3 ALA 90 5.197 16.034 -4.558 602 H GLU 91 H GLU 91 2.475 18.201 -6.723 603 HA GLU 91 HA GLU 91 0.332 16.549 -5.516 604 HB2 GLU 91 HB2 GLU 91 0.730 19.027 -5.037 605 HB3 GLU 91 HB3 GLU 91 0.112 19.351 -6.659 606 HG2 GLU 91 HG2 GLU 91 -2.017 18.199 -6.075 607 HG3 GLU 91 HG3 GLU 91 -1.359 17.787 -4.486 608 H GLN 92 H GLN 92 1.343 17.659 -8.734 609 HA GLN 92 HA GLN 92 -0.985 16.956 -10.202 610 HB2 GLN 92 HB2 GLN 92 0.767 18.433 -11.018 611 HB3 GLN 92 HB3 GLN 92 1.941 17.114 -11.020 612 HG2 GLN 92 HG2 GLN 92 0.813 15.976 -12.795 613 HG3 GLN 92 HG3 GLN 92 -0.551 17.091 -12.748 614 HE21 GLN 92 HE21 GLN 92 1.239 16.393 -14.985 615 HE22 GLN 92 HE22 GLN 92 1.952 17.922 -15.516 616 H VAL 93 H VAL 93 1.612 14.881 -8.976 617 HA VAL 93 HA VAL 93 0.622 12.488 -10.361 618 HB VAL 93 HB VAL 93 2.011 11.242 -8.688 619 HG11 VAL 93 HG11 VAL 93 4.092 11.778 -9.867 620 HG12 VAL 93 HG12 VAL 93 2.719 11.722 -10.976 621 HG13 VAL 93 HG13 VAL 93 3.379 13.295 -10.466 622 HG21 VAL 93 HG21 VAL 93 3.819 12.406 -7.544 623 HG22 VAL 93 HG22 VAL 93 3.186 13.981 -8.048 624 HG23 VAL 93 HG23 VAL 93 2.278 12.968 -6.903 Start of MODEL 14 1 H TYR 11 H TYR 11 -0.210 14.963 1.702 2 HA TYR 11 HA TYR 11 2.112 14.462 -0.003 3 HB2 TYR 11 HB2 TYR 11 0.635 12.527 1.799 4 HB3 TYR 11 HB3 TYR 11 2.283 12.390 1.199 5 HD1 TYR 11 HD1 TYR 11 4.070 14.009 2.074 6 HD2 TYR 11 HD2 TYR 11 0.127 13.755 3.786 7 HE1 TYR 11 HE1 TYR 11 4.870 15.213 4.093 8 HE2 TYR 11 HE2 TYR 11 0.921 14.967 5.810 9 HH TYR 11 HH TYR 11 4.331 16.050 6.139 10 H CYS 12 H CYS 12 1.947 12.085 -1.111 11 HA CYS 12 HA CYS 12 -0.113 12.574 -3.137 12 HB2 CYS 12 2HB CYS 12 1.203 10.700 -4.341 13 HB3 CYS 12 3HB CYS 12 1.835 12.317 -4.204 14 H GLY 13 H GLY 13 -1.506 11.040 -4.025 15 HA2 GLY 13 HA2 GLY 13 -3.192 10.000 -2.048 16 HA3 GLY 13 HA3 GLY 13 -3.404 9.816 -3.796 17 H ARG 14 H ARG 14 -0.801 8.311 -3.941 18 HA ARG 14 HA ARG 14 -1.504 5.696 -3.956 19 HB2 ARG 14 HB2 ARG 14 0.695 5.154 -4.212 20 HB3 ARG 14 HB3 ARG 14 0.687 6.842 -4.687 21 HG2 ARG 14 HG2 ARG 14 1.682 5.657 -2.072 22 HG3 ARG 14 HG3 ARG 14 2.674 6.293 -3.381 23 HD2 ARG 14 HD2 ARG 14 1.882 8.543 -2.911 24 HD3 ARG 14 HD3 ARG 14 0.761 7.929 -1.706 25 HE ARG 14 HE ARG 14 3.583 7.311 -1.171 26 HH11 ARG 14 HH11 ARG 14 0.985 9.581 -0.334 27 HH12 ARG 14 HH12 ARG 14 1.685 9.827 1.244 28 HH21 ARG 14 HH21 ARG 14 4.348 7.762 0.818 29 HH22 ARG 14 HH22 ARG 14 3.526 8.978 1.803 30 H GLU 15 H GLU 15 -0.907 7.389 -0.959 31 HA GLU 15 HA GLU 15 -0.475 4.826 0.490 32 HB2 GLU 15 HB2 GLU 15 -0.033 6.015 2.440 33 HB3 GLU 15 HB3 GLU 15 0.794 6.852 1.137 34 HG2 GLU 15 HG2 GLU 15 -1.038 8.556 1.097 35 HG3 GLU 15 HG3 GLU 15 -1.845 7.704 2.420 36 H LEU 16 H LEU 16 -3.185 6.785 -0.285 37 HA LEU 16 HA LEU 16 -4.976 5.112 1.398 38 HB2 LEU 16 HB2 LEU 16 -5.523 7.379 1.501 39 HB3 LEU 16 HB3 LEU 16 -5.333 7.651 -0.221 40 HG LEU 16 HG LEU 16 -7.493 5.735 0.663 41 HD11 LEU 16 HD11 LEU 16 -7.696 8.766 0.842 42 HD12 LEU 16 HD12 LEU 16 -7.793 7.622 2.196 43 HD13 LEU 16 HD13 LEU 16 -9.060 7.635 0.957 44 HD21 LEU 16 HD21 LEU 16 -7.361 7.912 -1.478 45 HD22 LEU 16 HD22 LEU 16 -8.668 6.739 -1.250 46 HD23 LEU 16 HD23 LEU 16 -7.073 6.186 -1.764 47 H GLU 17 H GLU 17 -4.072 5.715 -1.997 48 HA GLU 17 HA GLU 17 -6.077 3.936 -2.970 49 HB2 GLU 17 HB2 GLU 17 -5.235 5.881 -4.177 50 HB3 GLU 17 HB3 GLU 17 -3.665 5.103 -4.383 51 HG2 GLU 17 HG2 GLU 17 -4.638 3.384 -5.802 52 HG3 GLU 17 HG3 GLU 17 -6.278 3.913 -5.408 53 H GLN 18 H GLN 18 -2.551 3.279 -2.446 54 HA GLN 18 HA GLN 18 -2.886 0.529 -3.411 55 HB2 GLN 18 HB2 GLN 18 -0.601 1.809 -1.870 56 HB3 GLN 18 HB3 GLN 18 -0.574 0.202 -2.576 57 HG2 GLN 18 HG2 GLN 18 -0.862 2.759 -4.218 58 HG3 GLN 18 HG3 GLN 18 0.656 1.954 -3.869 59 HE21 GLN 18 HE21 GLN 18 1.296 1.197 -5.918 60 HE22 GLN 18 HE22 GLN 18 0.271 0.186 -6.921 61 H TYR 19 H TYR 19 -3.013 2.125 -0.221 62 HA TYR 19 HA TYR 19 -3.192 -0.256 1.403 63 HB2 TYR 19 HB2 TYR 19 -2.841 2.031 2.266 64 HB3 TYR 19 HB3 TYR 19 -4.433 2.513 1.714 65 HD1 TYR 19 HD1 TYR 19 -6.507 1.229 2.769 66 HD2 TYR 19 HD2 TYR 19 -2.549 1.348 4.495 67 HE1 TYR 19 HE1 TYR 19 -7.451 0.690 4.988 68 HE2 TYR 19 HE2 TYR 19 -3.522 0.903 6.736 69 HH TYR 19 HH TYR 19 -7.040 0.291 7.194 70 H GLY 20 H GLY 20 -5.632 1.715 -0.315 71 HA2 GLY 20 HA2 GLY 20 -7.857 0.090 0.356 72 HA3 GLY 20 HA3 GLY 20 -7.813 1.303 -0.952 73 H GLN 21 H GLN 21 -5.393 -0.621 -1.951 74 HA GLN 21 HA GLN 21 -7.111 -2.779 -3.074 75 HB2 GLN 21 HB2 GLN 21 -5.314 -1.736 -4.485 76 HB3 GLN 21 HB3 GLN 21 -4.097 -2.395 -3.385 77 HG2 GLN 21 HG2 GLN 21 -6.116 -4.157 -4.820 78 HG3 GLN 21 HG3 GLN 21 -4.595 -3.672 -5.556 79 HE21 GLN 21 HE21 GLN 21 -5.908 -6.277 -4.080 80 HE22 GLN 21 HE22 GLN 21 -4.413 -6.947 -3.413 81 H CYS 22 H CYS 22 -4.080 -2.680 -1.046 82 HA CYS 22 HA CYS 22 -4.482 -5.523 -0.750 83 HB2 CYS 22 2HB CYS 22 -2.438 -5.567 0.528 84 HB3 CYS 22 3HB CYS 22 -2.281 -4.836 -1.050 85 H VAL 23 H VAL 23 -5.448 -2.888 1.370 86 HA VAL 23 HA VAL 23 -6.000 -4.814 3.565 87 HB VAL 23 HB VAL 23 -6.613 -1.831 3.397 88 HG11 VAL 23 HG11 VAL 23 -6.604 -3.791 5.735 89 HG12 VAL 23 HG12 VAL 23 -6.694 -2.023 5.900 90 HG13 VAL 23 HG13 VAL 23 -7.993 -2.884 5.090 91 HG21 VAL 23 HG21 VAL 23 -4.615 -1.640 4.941 92 HG22 VAL 23 HG22 VAL 23 -4.251 -3.339 4.605 93 HG23 VAL 23 HG23 VAL 23 -4.190 -2.126 3.306 94 H ALA 24 H ALA 24 -7.661 -3.412 0.784 95 HA ALA 24 HA ALA 24 -10.323 -4.058 1.834 96 HB1 ALA 24 HB1 ALA 24 -9.894 -2.212 0.210 97 HB2 ALA 24 HB2 ALA 24 -9.447 -3.439 -1.006 98 HB3 ALA 24 HB3 ALA 24 -11.098 -3.388 -0.359 99 H ALA 25 H ALA 25 -7.866 -5.684 -0.210 100 HA ALA 25 HA ALA 25 -9.496 -7.848 -1.061 101 HB1 ALA 25 HB1 ALA 25 -6.501 -7.776 -0.456 102 HB2 ALA 25 HB2 ALA 25 -7.343 -9.005 -1.426 103 HB3 ALA 25 HB3 ALA 25 -7.269 -7.325 -1.986 104 H LYS 26 H LYS 26 -7.237 -7.780 1.751 105 HA LYS 26 HA LYS 26 -9.112 -9.231 3.462 106 HB2 LYS 26 HB2 LYS 26 -6.358 -10.392 2.884 107 HB3 LYS 26 HB3 LYS 26 -7.483 -10.978 4.111 108 HG2 LYS 26 HG2 LYS 26 -9.118 -11.548 2.307 109 HG3 LYS 26 HG3 LYS 26 -7.897 -11.075 1.100 110 HD2 LYS 26 HD2 LYS 26 -6.395 -12.836 1.820 111 HD3 LYS 26 HD3 LYS 26 -7.477 -13.258 3.154 112 HE2 LYS 26 HE2 LYS 26 -7.870 -14.858 1.414 113 HE3 LYS 26 HE3 LYS 26 -9.282 -13.805 1.501 114 HZ1 LYS 26 HZ1 LYS 26 -7.095 -13.582 -0.514 115 HZ2 LYS 26 HZ2 LYS 26 -8.448 -12.628 -0.459 116 HZ3 LYS 26 HZ3 LYS 26 -8.574 -14.221 -0.773 117 HA PRO 27 HA PRO 27 -6.790 -6.839 6.595 118 HB2 PRO 27 HB2 PRO 27 -7.348 -9.262 8.309 119 HB3 PRO 27 HB3 PRO 27 -7.524 -7.529 8.721 120 HG2 PRO 27 HG2 PRO 27 -9.710 -9.008 8.123 121 HG3 PRO 27 HG3 PRO 27 -9.541 -7.359 7.437 122 HD2 PRO 27 HD2 PRO 27 -8.941 -10.017 6.103 123 HD3 PRO 27 HD3 PRO 27 -9.829 -8.600 5.458 124 H GLU 28 H GLU 28 -6.267 -10.314 6.094 125 HA GLU 28 HA GLU 28 -3.526 -10.561 6.910 126 HB2 GLU 28 HB2 GLU 28 -5.173 -12.119 4.875 127 HB3 GLU 28 HB3 GLU 28 -3.659 -12.662 5.584 128 HG2 GLU 28 HG2 GLU 28 -6.227 -12.146 7.167 129 HG3 GLU 28 HG3 GLU 28 -5.717 -13.713 6.555 130 H SER 29 H SER 29 -4.948 -9.299 3.938 131 HA SER 29 HA SER 29 -2.599 -9.765 2.289 132 HB2 SER 29 HB2 SER 29 -5.275 -8.479 1.871 133 HB3 SER 29 HB3 SER 29 -3.979 -8.185 0.722 134 HG SER 29 HG SER 29 -4.118 -10.120 0.000 135 H TRP 30 H TRP 30 -3.397 -7.295 4.574 136 HA TRP 30 HA TRP 30 -1.704 -5.183 3.646 137 HB2 TRP 30 HB2 TRP 30 -3.103 -4.970 5.638 138 HB3 TRP 30 HB3 TRP 30 -2.254 -6.287 6.422 139 HD1 TRP 30 HD1 TRP 30 -0.600 -5.567 8.152 140 HE1 TRP 30 HE1 TRP 30 0.931 -3.566 8.610 141 HE3 TRP 30 HE3 TRP 30 -1.674 -2.766 3.989 142 HZ2 TRP 30 HZ2 TRP 30 1.603 -1.068 7.335 143 HZ3 TRP 30 HZ3 TRP 30 -0.541 -0.591 3.626 144 HH2 TRP 30 HH2 TRP 30 1.096 0.271 5.292 145 H GLN 31 H GLN 31 -0.857 -8.316 5.164 146 HA GLN 31 HA GLN 31 2.021 -7.736 4.761 147 HB2 GLN 31 HB2 GLN 31 1.153 -8.729 6.866 148 HB3 GLN 31 HB3 GLN 31 0.723 -10.179 5.971 149 HG2 GLN 31 HG2 GLN 31 3.132 -10.479 5.357 150 HG3 GLN 31 HG3 GLN 31 3.538 -9.018 6.255 151 HE21 GLN 31 HE21 GLN 31 4.537 -11.751 6.763 152 HE22 GLN 31 HE22 GLN 31 3.884 -12.257 8.330 153 H ARG 32 H ARG 32 -0.519 -9.853 3.354 154 HA ARG 32 HA ARG 32 1.448 -11.201 1.696 155 HB2 ARG 32 HB2 ARG 32 -0.657 -12.215 2.802 156 HB3 ARG 32 HB3 ARG 32 -1.540 -11.543 1.440 157 HG2 ARG 32 HG2 ARG 32 -1.076 -13.821 0.925 158 HG3 ARG 32 HG3 ARG 32 -0.009 -12.862 -0.099 159 HD2 ARG 32 HD2 ARG 32 1.830 -13.275 1.621 160 HD3 ARG 32 HD3 ARG 32 0.713 -14.395 2.432 161 HE ARG 32 HE ARG 32 0.849 -15.130 -0.305 162 HH11 ARG 32 HH11 ARG 32 2.975 -15.353 2.520 163 HH12 ARG 32 HH12 ARG 32 4.099 -16.349 1.600 164 HH21 ARG 32 HH21 ARG 32 2.209 -16.452 -1.235 165 HH22 ARG 32 HH22 ARG 32 3.552 -17.157 -0.348 166 H ASP 33 H ASP 33 -0.875 -8.649 0.837 167 HA ASP 33 HA ASP 33 -0.382 -9.123 -2.057 168 HB2 ASP 33 HB2 ASP 33 -2.390 -7.551 -0.472 169 HB3 ASP 33 HB3 ASP 33 -2.034 -6.997 -2.079 170 H CYS 34 H CYS 34 0.890 -6.999 0.418 171 HA CYS 34 HA CYS 34 2.276 -5.399 -1.679 172 HB2 CYS 34 2HB CYS 34 1.509 -3.313 -0.541 173 HB3 CYS 34 3HB CYS 34 0.216 -4.248 -1.276 174 H HIS 35 H HIS 35 4.193 -6.597 -0.940 175 HA HIS 35 HA HIS 35 5.490 -5.442 1.477 176 HB2 HIS 35 2HB HIS 35 5.811 -7.840 0.967 177 HB3 HIS 35 3HB HIS 35 6.493 -7.430 -0.604 178 HD1 HIS 35 1HD HIS 35 7.589 -8.151 2.837 179 HD2 HIS 35 2HD HIS 35 8.922 -5.927 -0.480 180 HE1 HIS 35 1HE HIS 35 10.065 -7.701 3.218 181 H TYR 36 H TYR 36 6.250 -5.564 -2.042 182 HA TYR 36 HA TYR 36 8.133 -3.339 -1.693 183 HB2 TYR 36 HB2 TYR 36 7.278 -4.969 -4.097 184 HB3 TYR 36 HB3 TYR 36 8.326 -3.561 -4.221 185 HD1 TYR 36 HD2 TYR 36 10.388 -3.475 -2.552 186 HD2 TYR 36 HD1 TYR 36 8.353 -7.082 -3.783 187 HE1 TYR 36 HE2 TYR 36 12.385 -4.825 -1.918 188 HE2 TYR 36 HE1 TYR 36 10.358 -8.416 -3.170 189 HH TYR 36 HH TYR 36 12.516 -8.355 -2.461 190 H LEU 37 H LEU 37 4.775 -3.655 -2.876 191 HA LEU 37 HA LEU 37 4.563 -0.935 -3.768 192 HB2 LEU 37 HB2 LEU 37 2.444 -2.726 -2.502 193 HB3 LEU 37 HB3 LEU 37 2.145 -1.176 -3.257 194 HG LEU 37 HG LEU 37 1.462 -2.735 -4.814 195 HD11 LEU 37 HD11 LEU 37 2.842 -2.410 -6.760 196 HD12 LEU 37 HD12 LEU 37 4.268 -2.041 -5.772 197 HD13 LEU 37 HD13 LEU 37 2.876 -0.930 -5.791 198 HD21 LEU 37 HD21 LEU 37 4.091 -4.260 -4.700 199 HD22 LEU 37 HD22 LEU 37 2.647 -4.639 -5.640 200 HD23 LEU 37 HD23 LEU 37 2.584 -4.752 -3.882 201 H LYS 38 H LYS 38 4.560 -2.304 -0.501 202 HA LYS 38 HA LYS 38 3.840 0.182 0.855 203 HB2 LYS 38 HB2 LYS 38 3.470 -2.198 1.633 204 HB3 LYS 38 HB3 LYS 38 5.202 -2.302 1.969 205 HG2 LYS 38 HG2 LYS 38 4.922 -0.356 3.560 206 HG3 LYS 38 HG3 LYS 38 3.176 -0.441 3.283 207 HD2 LYS 38 HD2 LYS 38 4.940 -2.674 4.398 208 HD3 LYS 38 HD3 LYS 38 3.872 -1.639 5.352 209 HE2 LYS 38 HE2 LYS 38 1.891 -2.538 4.238 210 HE3 LYS 38 HE3 LYS 38 2.891 -3.469 3.119 211 HZ1 LYS 38 HZ1 LYS 38 3.726 -4.750 4.992 212 HZ2 LYS 38 HZ2 LYS 38 2.079 -4.843 4.887 213 HZ3 LYS 38 HZ3 LYS 38 2.819 -3.896 6.042 214 H MET 39 H MET 39 6.881 -1.231 -0.233 215 HA MET 39 HA MET 39 8.459 0.996 0.844 216 HB2 MET 39 HB2 MET 39 9.389 -1.252 0.213 217 HB3 MET 39 HB3 MET 39 9.159 -0.826 -1.489 218 HG2 MET 39 HG2 MET 39 10.656 1.118 -1.210 219 HG3 MET 39 HG3 MET 39 10.815 0.751 0.512 220 HE1 MET 39 HE1 MET 39 13.372 1.249 -1.117 221 HE2 MET 39 HE2 MET 39 13.368 0.708 0.575 222 HE3 MET 39 HE3 MET 39 14.389 -0.121 -0.619 223 H SER 40 H SER 40 6.893 0.355 -2.368 224 HA SER 40 HA SER 40 7.761 2.698 -3.634 225 HB2 SER 40 HB2 SER 40 5.186 1.174 -4.124 226 HB3 SER 40 HB3 SER 40 5.891 2.396 -5.194 227 HG SER 40 HG SER 40 6.770 0.634 -5.995 228 H ILE 41 H ILE 41 4.924 2.378 -1.427 229 HA ILE 41 HA ILE 41 4.046 5.057 -1.960 230 HB ILE 41 HB ILE 41 2.725 5.027 -0.006 231 HG12 ILE 41 HG12 ILE 41 4.052 2.458 0.877 232 HG13 ILE 41 HG13 ILE 41 4.341 4.037 1.612 233 HG21 ILE 41 HG21 ILE 41 2.199 3.492 -2.082 234 HG22 ILE 41 HG22 ILE 41 2.500 2.169 -0.960 235 HG23 ILE 41 HG23 ILE 41 1.226 3.338 -0.611 236 HD11 ILE 41 HD11 ILE 41 1.699 2.527 1.609 237 HD12 ILE 41 HD12 ILE 41 2.783 2.806 2.981 238 HD13 ILE 41 HD13 ILE 41 1.936 4.177 2.239 239 H ALA 42 H ALA 42 6.646 3.932 0.197 240 HA ALA 42 HA ALA 42 7.117 6.594 1.299 241 HB1 ALA 42 HB1 ALA 42 7.838 4.520 2.435 242 HB2 ALA 42 HB2 ALA 42 8.979 4.190 1.111 243 HB3 ALA 42 HB3 ALA 42 9.187 5.626 2.128 244 H GLN 43 H GLN 43 8.258 4.832 -1.585 245 HA GLN 43 HA GLN 43 10.275 6.705 -2.319 246 HB2 GLN 43 HB2 GLN 43 8.760 4.621 -3.911 247 HB3 GLN 43 HB3 GLN 43 10.071 5.590 -4.594 248 HG2 GLN 43 HG2 GLN 43 11.652 4.820 -2.963 249 HG3 GLN 43 HG3 GLN 43 10.429 3.996 -2.013 250 HE21 GLN 43 HE21 GLN 43 12.779 2.771 -2.818 251 HE22 GLN 43 HE22 GLN 43 12.364 1.457 -3.921 252 H CYS 44 H CYS 44 6.788 6.703 -3.308 253 HA CYS 44 HA CYS 44 6.900 8.963 -4.999 254 HB2 CYS 44 2HB CYS 44 4.880 7.651 -4.735 255 HB3 CYS 44 3HB CYS 44 4.690 8.167 -3.059 256 H THR 45 H THR 45 6.709 8.916 -1.432 257 HA THR 45 HA THR 45 6.574 11.853 -1.329 258 HB THR 45 HB THR 45 5.175 10.264 0.033 259 HG1 THR 45 HG1 THR 45 5.088 12.328 0.448 260 HG21 THR 45 HG21 THR 45 7.624 10.202 1.841 261 HG22 THR 45 HG22 THR 45 6.887 8.809 1.013 262 HG23 THR 45 HG23 THR 45 5.983 9.679 2.261 263 H SER 46 H SER 46 9.189 9.757 -1.513 264 HA SER 46 HA SER 46 10.913 10.575 0.523 265 HB2 SER 46 HB2 SER 46 11.448 9.481 -2.238 266 HB3 SER 46 HB3 SER 46 12.750 9.803 -1.080 267 HG SER 46 HG SER 46 10.493 8.216 -0.376 268 H SER 47 H SER 47 10.314 12.476 -2.419 269 HA SER 47 HA SER 47 12.575 14.234 -2.208 270 HB2 SER 47 HB2 SER 47 11.119 15.838 -3.473 271 HB3 SER 47 HB3 SER 47 11.300 14.245 -4.222 272 HG SER 47 HG SER 47 9.317 13.709 -3.721 273 H HIS 48 H HIS 48 9.650 14.049 -0.356 274 HA HIS 48 HA HIS 48 8.718 15.134 1.311 275 HB2 HIS 48 2HB HIS 48 11.503 16.149 1.900 276 HB3 HIS 48 3HB HIS 48 10.144 16.235 3.008 277 HD1 HIS 48 1HD HIS 48 9.536 12.975 1.700 278 HD2 HIS 48 2HD HIS 48 12.509 14.683 4.137 279 HE1 HIS 48 1HE HIS 48 10.655 11.038 2.922 280 HA PRO 49 HA PRO 49 7.062 18.891 0.117 281 HB2 PRO 49 HB2 PRO 49 7.015 19.909 2.934 282 HB3 PRO 49 HB3 PRO 49 5.674 19.812 1.746 283 HG2 PRO 49 HG2 PRO 49 5.839 17.981 3.720 284 HG3 PRO 49 HG3 PRO 49 5.507 17.429 2.042 285 HD2 PRO 49 HD2 PRO 49 8.168 17.500 3.502 286 HD3 PRO 49 HD3 PRO 49 7.423 16.154 2.602 287 H ILE 50 H ILE 50 9.950 19.317 2.058 288 HA ILE 50 HA ILE 50 10.805 21.858 1.672 289 HB ILE 50 HB ILE 50 12.005 19.999 2.763 290 HG12 ILE 50 HG12 ILE 50 13.743 21.537 0.793 291 HG13 ILE 50 HG13 ILE 50 13.095 22.163 2.316 292 HG21 ILE 50 HG21 ILE 50 12.986 19.205 -0.006 293 HG22 ILE 50 HG22 ILE 50 13.383 18.437 1.546 294 HG23 ILE 50 HG23 ILE 50 11.748 18.321 0.904 295 HD11 ILE 50 HD11 ILE 50 15.117 19.927 1.937 296 HD12 ILE 50 HD12 ILE 50 15.351 21.500 2.720 297 HD13 ILE 50 HD13 ILE 50 14.321 20.269 3.488 298 H ILE 51 H ILE 51 10.183 19.689 -1.027 299 HA ILE 51 HA ILE 51 11.586 21.001 -3.104 300 HB ILE 51 HB ILE 51 10.278 18.888 -3.243 301 HG12 ILE 51 HG12 ILE 51 9.558 20.934 -5.378 302 HG13 ILE 51 HG13 ILE 51 11.125 20.138 -5.216 303 HG21 ILE 51 HG21 ILE 51 7.879 18.886 -3.620 304 HG22 ILE 51 HG22 ILE 51 8.191 19.694 -2.091 305 HG23 ILE 51 HG23 ILE 51 7.804 20.654 -3.531 306 HD11 ILE 51 HD11 ILE 51 9.858 19.002 -6.920 307 HD12 ILE 51 HD12 ILE 51 10.006 17.920 -5.519 308 HD13 ILE 51 HD13 ILE 51 8.476 18.772 -5.835 309 H ARG 52 H ARG 52 8.869 22.167 -1.218 310 HA ARG 52 HA ARG 52 7.981 24.433 -2.617 311 HB2 ARG 52 HB2 ARG 52 7.445 25.375 -0.483 312 HB3 ARG 52 HB3 ARG 52 7.158 23.637 -0.407 313 HG2 ARG 52 HG2 ARG 52 9.384 23.372 0.750 314 HG3 ARG 52 HG3 ARG 52 9.559 25.122 0.778 315 HD2 ARG 52 HD2 ARG 52 7.117 23.766 1.957 316 HD3 ARG 52 HD3 ARG 52 8.631 23.919 2.850 317 HE ARG 52 HE ARG 52 7.266 26.329 1.692 318 HH11 ARG 52 HH11 ARG 52 8.455 24.772 4.656 319 HH12 ARG 52 HH12 ARG 52 8.589 26.346 5.428 320 HH21 ARG 52 HH21 ARG 52 7.463 28.152 2.780 321 HH22 ARG 52 HH22 ARG 52 7.690 28.133 4.508 322 H GLN 53 H GLN 53 11.213 23.996 -1.139 323 HA GLN 53 HA GLN 53 11.772 26.805 -1.096 324 HB2 GLN 53 HB2 GLN 53 13.673 24.420 -1.129 325 HB3 GLN 53 HB3 GLN 53 14.166 26.087 -0.833 326 HG2 GLN 53 HG2 GLN 53 12.266 24.450 0.902 327 HG3 GLN 53 HG3 GLN 53 13.928 24.869 1.282 328 HE21 GLN 53 HE21 GLN 53 11.724 25.472 2.986 329 HE22 GLN 53 HE22 GLN 53 11.600 27.226 3.054 330 H ILE 54 H ILE 54 12.218 24.402 -3.680 331 HA ILE 54 HA ILE 54 13.364 26.515 -5.432 332 HB ILE 54 HB ILE 54 13.496 24.800 -7.161 333 HG12 ILE 54 HG12 ILE 54 12.633 22.792 -5.035 334 HG13 ILE 54 HG13 ILE 54 11.616 23.341 -6.373 335 HG21 ILE 54 HG21 ILE 54 14.833 23.963 -4.552 336 HG22 ILE 54 HG22 ILE 54 15.423 23.677 -6.199 337 HG23 ILE 54 HG23 ILE 54 15.353 25.322 -5.572 338 HD11 ILE 54 HD11 ILE 54 12.569 21.211 -6.950 339 HD12 ILE 54 HD12 ILE 54 13.298 22.449 -7.990 340 HD13 ILE 54 HD13 ILE 54 14.211 21.775 -6.616 341 H ARG 55 H ARG 55 10.269 25.130 -4.717 342 HA ARG 55 HA ARG 55 9.008 26.276 -7.108 343 HB2 ARG 55 HB2 ARG 55 7.819 24.649 -4.846 344 HB3 ARG 55 HB3 ARG 55 6.956 25.218 -6.282 345 HG2 ARG 55 HG2 ARG 55 8.576 23.949 -7.724 346 HG3 ARG 55 HG3 ARG 55 9.293 23.266 -6.267 347 HD2 ARG 55 HD2 ARG 55 7.198 22.199 -5.658 348 HD3 ARG 55 HD3 ARG 55 6.354 22.993 -7.005 349 HE ARG 55 HE ARG 55 8.539 21.522 -8.089 350 HH11 ARG 55 HH11 ARG 55 5.522 20.655 -6.464 351 HH12 ARG 55 HH12 ARG 55 5.225 19.363 -7.616 352 HH21 ARG 55 HH21 ARG 55 8.336 19.718 -9.072 353 HH22 ARG 55 HH22 ARG 55 7.056 18.572 -8.706 354 H GLN 56 H GLN 56 9.343 27.503 -3.844 355 HA GLN 56 HA GLN 56 6.926 28.893 -3.660 356 HB2 GLN 56 HB2 GLN 56 9.589 29.092 -2.306 357 HB3 GLN 56 HB3 GLN 56 8.560 30.515 -2.189 358 HG2 GLN 56 HG2 GLN 56 6.702 29.170 -1.296 359 HG3 GLN 56 HG3 GLN 56 7.684 27.712 -1.392 360 HE21 GLN 56 HE21 GLN 56 7.407 30.914 0.284 361 HE22 GLN 56 HE22 GLN 56 8.299 30.378 1.697 362 H ALA 57 H ALA 57 9.709 29.931 -5.558 363 HA ALA 57 HA ALA 57 8.810 32.611 -6.050 364 HB1 ALA 57 HB1 ALA 57 11.088 31.833 -6.505 365 HB2 ALA 57 HB2 ALA 57 10.485 30.705 -7.743 366 HB3 ALA 57 HB3 ALA 57 10.344 32.459 -7.986 367 H CYS 58 H CYS 58 7.525 29.572 -7.213 368 HA CYS 58 HA CYS 58 6.216 30.660 -9.577 369 HB2 CYS 58 2HB CYS 58 5.776 27.994 -8.227 370 HB3 CYS 58 3HB CYS 58 5.437 28.414 -9.902 371 H ALA 59 H ALA 59 5.448 32.302 -7.713 372 HA ALA 59 HA ALA 59 4.269 31.350 -5.498 373 HB1 ALA 59 HB1 ALA 59 5.357 33.530 -5.733 374 HB2 ALA 59 HB2 ALA 59 3.973 34.143 -6.666 375 HB3 ALA 59 HB3 ALA 59 3.775 33.712 -4.954 376 H GLN 60 H GLN 60 2.230 32.765 -8.162 377 HA GLN 60 HA GLN 60 -0.164 32.447 -6.547 378 HB2 GLN 60 HB2 GLN 60 0.272 33.256 -9.413 379 HB3 GLN 60 HB3 GLN 60 -1.324 32.733 -8.875 380 HG2 GLN 60 HG2 GLN 60 -1.281 35.095 -8.717 381 HG3 GLN 60 HG3 GLN 60 -1.252 34.473 -7.069 382 HE21 GLN 60 HE21 GLN 60 0.503 35.122 -5.746 383 HE22 GLN 60 HE22 GLN 60 1.917 35.959 -6.364 384 HA PRO 61 HA PRO 61 -1.084 28.456 -9.092 385 HB2 PRO 61 HB2 PRO 61 1.719 27.730 -9.955 386 HB3 PRO 61 HB3 PRO 61 0.155 27.346 -10.743 387 HG2 PRO 61 HG2 PRO 61 1.675 29.374 -11.690 388 HG3 PRO 61 HG3 PRO 61 -0.095 29.607 -11.502 389 HD2 PRO 61 HD2 PRO 61 2.134 30.492 -9.652 390 HD3 PRO 61 HD3 PRO 61 0.708 31.388 -10.241 391 H PHE 62 H PHE 62 2.060 28.711 -7.347 392 HA PHE 62 HA PHE 62 1.766 26.117 -6.098 393 HB2 PHE 62 HB2 PHE 62 3.946 27.327 -6.548 394 HB3 PHE 62 HB3 PHE 62 3.516 28.494 -5.303 395 HD1 PHE 62 HD1 PHE 62 4.546 25.008 -5.998 396 HD2 PHE 62 HD2 PHE 62 3.682 27.901 -2.922 397 HE1 PHE 62 HE1 PHE 62 5.426 23.448 -4.272 398 HE2 PHE 62 HE2 PHE 62 4.586 26.343 -1.213 399 HZ PHE 62 HZ PHE 62 5.411 24.101 -1.885 400 H GLU 63 H GLU 63 0.561 29.277 -5.200 401 HA GLU 63 HA GLU 63 -0.487 28.212 -2.662 402 HB2 GLU 63 HB2 GLU 63 0.121 30.684 -3.239 403 HB3 GLU 63 HB3 GLU 63 -1.412 30.706 -4.104 404 HG2 GLU 63 HG2 GLU 63 -1.862 31.589 -1.947 405 HG3 GLU 63 HG3 GLU 63 -2.499 29.946 -1.888 406 H ALA 64 H ALA 64 -1.683 28.724 -5.981 407 HA ALA 64 HA ALA 64 -4.393 28.458 -5.539 408 HB1 ALA 64 HB1 ALA 64 -4.561 27.983 -7.936 409 HB2 ALA 64 HB2 ALA 64 -3.336 29.225 -7.659 410 HB3 ALA 64 HB3 ALA 64 -2.849 27.550 -8.006 411 H PHE 65 H PHE 65 -2.102 25.742 -6.153 412 HA PHE 65 HA PHE 65 -4.203 23.777 -6.275 413 HB2 PHE 65 HB2 PHE 65 -1.836 23.424 -7.155 414 HB3 PHE 65 HB3 PHE 65 -1.308 23.332 -5.491 415 HD1 PHE 65 HD1 PHE 65 -4.386 21.797 -7.101 416 HD2 PHE 65 HD2 PHE 65 -0.652 21.132 -5.040 417 HE1 PHE 65 HE1 PHE 65 -4.920 19.389 -6.884 418 HE2 PHE 65 HE2 PHE 65 -1.181 18.723 -4.871 419 HZ PHE 65 HZ PHE 65 -3.311 17.844 -5.794 420 H GLU 66 H GLU 66 -2.008 24.711 -3.552 421 HA GLU 66 HA GLU 66 -3.356 22.880 -1.727 422 HB2 GLU 66 HB2 GLU 66 -1.082 23.434 -1.305 423 HB3 GLU 66 HB3 GLU 66 -1.403 25.156 -1.248 424 HG2 GLU 66 HG2 GLU 66 -2.850 24.739 0.803 425 HG3 GLU 66 HG3 GLU 66 -2.550 23.014 0.636 426 H GLU 67 H GLU 67 -4.039 26.173 -2.760 427 HA GLU 67 HA GLU 67 -6.072 26.798 -0.825 428 HB2 GLU 67 HB2 GLU 67 -4.907 28.468 -2.219 429 HB3 GLU 67 HB3 GLU 67 -5.628 27.767 -3.667 430 HG2 GLU 67 HG2 GLU 67 -7.908 28.389 -2.684 431 HG3 GLU 67 HG3 GLU 67 -7.027 29.283 -1.438 432 H CYS 68 H CYS 68 -6.342 25.354 -4.171 433 HA CYS 68 HA CYS 68 -9.151 24.948 -4.196 434 HB2 CYS 68 2HB CYS 68 -6.861 23.283 -5.322 435 HB3 CYS 68 3HB CYS 68 -8.551 22.863 -5.559 436 H LEU 69 H LEU 69 -6.597 22.745 -2.929 437 HA LEU 69 HA LEU 69 -8.452 20.946 -1.814 438 HB2 LEU 69 HB2 LEU 69 -5.456 21.199 -1.879 439 HB3 LEU 69 HB3 LEU 69 -6.203 20.047 -0.777 440 HG LEU 69 HG LEU 69 -7.289 18.849 -2.559 441 HD11 LEU 69 HD11 LEU 69 -6.124 20.883 -4.502 442 HD12 LEU 69 HD12 LEU 69 -7.853 20.539 -4.211 443 HD13 LEU 69 HD13 LEU 69 -6.834 19.327 -4.969 444 HD21 LEU 69 HD21 LEU 69 -5.337 17.995 -3.792 445 HD22 LEU 69 HD22 LEU 69 -4.936 18.264 -2.085 446 HD23 LEU 69 HD23 LEU 69 -4.398 19.424 -3.323 447 H ARG 70 H ARG 70 -7.534 23.979 -0.584 448 HA ARG 70 HA ARG 70 -8.286 23.221 2.200 449 HB2 ARG 70 HB2 ARG 70 -6.540 24.973 1.848 450 HB3 ARG 70 HB3 ARG 70 -7.724 25.964 1.018 451 HG2 ARG 70 HG2 ARG 70 -7.341 26.733 3.257 452 HG3 ARG 70 HG3 ARG 70 -9.021 26.364 2.895 453 HD2 ARG 70 HD2 ARG 70 -8.406 25.687 5.071 454 HD3 ARG 70 HD3 ARG 70 -8.888 24.268 4.143 455 HE ARG 70 HE ARG 70 -5.976 24.933 4.422 456 HH11 ARG 70 HH11 ARG 70 -8.516 22.679 5.428 457 HH12 ARG 70 HH12 ARG 70 -7.340 21.420 5.716 458 HH21 ARG 70 HH21 ARG 70 -4.638 23.391 4.866 459 HH22 ARG 70 HH22 ARG 70 -5.159 21.828 5.480 460 H GLN 71 H GLN 71 -9.612 25.182 -0.504 461 HA GLN 71 HA GLN 71 -12.111 25.711 0.874 462 HB2 GLN 71 HB2 GLN 71 -11.485 25.875 -2.090 463 HB3 GLN 71 HB3 GLN 71 -12.836 26.651 -1.278 464 HG2 GLN 71 HG2 GLN 71 -9.895 27.354 -0.825 465 HG3 GLN 71 HG3 GLN 71 -10.976 28.155 -1.939 466 HE21 GLN 71 HE21 GLN 71 -10.698 30.167 -0.942 467 HE22 GLN 71 HE22 GLN 71 -11.335 30.535 0.649 468 H ASN 72 H ASN 72 -11.124 23.312 -1.544 469 HA ASN 72 HA ASN 72 -13.526 21.657 -1.056 470 HB2 ASN 72 HB2 ASN 72 -12.529 22.582 -3.775 471 HB3 ASN 72 HB3 ASN 72 -13.685 21.306 -3.518 472 HD21 ASN 72 HD21 ASN 72 -15.733 21.803 -2.438 473 HD22 ASN 72 HD22 ASN 72 -16.452 23.358 -2.893 474 H GLU 73 H GLU 73 -11.426 20.888 0.190 475 HA GLU 73 HA GLU 73 -9.313 19.435 -0.904 476 HB2 GLU 73 HB2 GLU 73 -10.039 19.957 1.543 477 HB3 GLU 73 HB3 GLU 73 -11.071 18.548 1.446 478 HG2 GLU 73 HG2 GLU 73 -9.152 17.081 1.232 479 HG3 GLU 73 HG3 GLU 73 -8.066 18.449 0.964 480 H ALA 74 H ALA 74 -12.704 18.584 -0.852 481 HA ALA 74 HA ALA 74 -12.320 15.749 -1.582 482 HB1 ALA 74 HB1 ALA 74 -14.701 15.645 -0.912 483 HB2 ALA 74 HB2 ALA 74 -13.709 16.436 0.332 484 HB3 ALA 74 HB3 ALA 74 -14.726 17.420 -0.752 485 H ALA 75 H ALA 75 -12.645 18.546 -3.400 486 HA ALA 75 HA ALA 75 -14.184 17.139 -5.540 487 HB1 ALA 75 HB1 ALA 75 -15.284 19.118 -6.173 488 HB2 ALA 75 HB2 ALA 75 -15.463 19.011 -4.414 489 HB3 ALA 75 HB3 ALA 75 -14.279 20.126 -5.146 490 H VAL 76 H VAL 76 -11.635 16.543 -5.560 491 HA VAL 76 HA VAL 76 -9.933 18.426 -6.929 492 HB VAL 76 HB VAL 76 -9.678 15.389 -6.722 493 HG11 VAL 76 HG11 VAL 76 -7.532 17.490 -7.230 494 HG12 VAL 76 HG12 VAL 76 -7.248 15.757 -6.969 495 HG13 VAL 76 HG13 VAL 76 -8.115 16.297 -8.408 496 HG21 VAL 76 HG21 VAL 76 -8.601 17.595 -4.907 497 HG22 VAL 76 HG22 VAL 76 -9.807 16.370 -4.467 498 HG23 VAL 76 HG23 VAL 76 -8.149 15.882 -4.804 499 H GLY 77 H GLY 77 -12.483 16.352 -8.029 500 HA2 GLY 77 HA2 GLY 77 -11.993 16.143 -10.811 501 HA3 GLY 77 HA3 GLY 77 -13.569 16.303 -10.037 502 H ASN 78 H ASN 78 -12.643 19.016 -8.891 503 HA ASN 78 HA ASN 78 -13.308 20.643 -11.285 504 HB2 ASN 78 HB2 ASN 78 -13.347 21.359 -8.322 505 HB3 ASN 78 HB3 ASN 78 -13.902 22.360 -9.651 506 HD21 ASN 78 HD21 ASN 78 -15.917 22.493 -8.450 507 HD22 ASN 78 HD22 ASN 78 -17.062 21.168 -8.605 508 H CYS 79 H CYS 79 -10.532 20.008 -9.216 509 HA CYS 79 HA CYS 79 -8.887 21.901 -10.749 510 HB2 CYS 79 2HB CYS 79 -9.821 23.351 -9.021 511 HB3 CYS 79 3HB CYS 79 -9.447 22.173 -7.769 512 H ALA 80 H ALA 80 -6.879 21.027 -11.017 513 HA ALA 80 HA ALA 80 -5.614 19.344 -8.967 514 HB1 ALA 80 HB1 ALA 80 -6.266 18.219 -11.700 515 HB2 ALA 80 HB2 ALA 80 -5.336 17.422 -10.401 516 HB3 ALA 80 HB3 ALA 80 -7.053 17.769 -10.163 517 H GLU 81 H GLU 81 -4.652 21.505 -9.261 518 HA GLU 81 HA GLU 81 -3.044 22.252 -11.480 519 HB2 GLU 81 HB2 GLU 81 -3.402 23.428 -8.714 520 HB3 GLU 81 HB3 GLU 81 -2.514 24.226 -10.019 521 HG2 GLU 81 HG2 GLU 81 -5.435 23.369 -10.231 522 HG3 GLU 81 HG3 GLU 81 -4.923 24.959 -9.660 523 H HIS 82 H HIS 82 -2.258 20.056 -9.050 524 HA HIS 82 HA HIS 82 0.420 20.465 -8.404 525 HB2 HIS 82 2HB HIS 82 0.606 18.146 -8.129 526 HB3 HIS 82 3HB HIS 82 -1.072 18.501 -7.766 527 HD1 HIS 82 1HD HIS 82 1.129 16.516 -10.118 528 HD2 HIS 82 2HD HIS 82 -2.921 17.557 -9.608 529 HE1 HIS 82 1HE HIS 82 -0.213 14.968 -11.633 530 H MET 83 H MET 83 -0.891 19.668 -11.593 531 HA MET 83 HA MET 83 1.713 19.005 -12.783 532 HB2 MET 83 HB2 MET 83 -0.931 19.759 -14.083 533 HB3 MET 83 HB3 MET 83 0.544 19.327 -14.965 534 HG2 MET 83 HG2 MET 83 0.561 17.139 -13.694 535 HG3 MET 83 HG3 MET 83 -1.032 17.575 -13.057 536 HE1 MET 83 HE1 MET 83 -0.497 14.835 -14.510 537 HE2 MET 83 HE2 MET 83 -2.086 15.345 -13.899 538 HE3 MET 83 HE3 MET 83 -1.930 14.725 -15.557 539 H ARG 84 H ARG 84 -0.340 21.983 -12.906 540 HA ARG 84 HA ARG 84 1.611 23.751 -13.975 541 HB2 ARG 84 HB2 ARG 84 -0.891 23.982 -12.383 542 HB3 ARG 84 HB3 ARG 84 0.222 25.330 -12.178 543 HG2 ARG 84 HG2 ARG 84 0.144 25.953 -14.443 544 HG3 ARG 84 HG3 ARG 84 -0.457 24.372 -14.962 545 HD2 ARG 84 HD2 ARG 84 -2.580 24.751 -13.799 546 HD3 ARG 84 HD3 ARG 84 -2.012 26.330 -13.233 547 HE ARG 84 HE ARG 84 -1.793 26.628 -15.930 548 HH11 ARG 84 HH11 ARG 84 -4.486 25.810 -13.786 549 HH12 ARG 84 HH12 ARG 84 -5.637 26.478 -14.949 550 HH21 ARG 84 HH21 ARG 84 -3.451 27.300 -17.348 551 HH22 ARG 84 HH22 ARG 84 -5.100 27.277 -16.726 552 H ARG 85 H ARG 85 1.293 22.656 -10.557 553 HA ARG 85 HA ARG 85 3.417 24.404 -9.651 554 HB2 ARG 85 HB2 ARG 85 2.612 21.725 -8.412 555 HB3 ARG 85 HB3 ARG 85 3.626 22.959 -7.681 556 HG2 ARG 85 HG2 ARG 85 1.461 24.494 -8.105 557 HG3 ARG 85 HG3 ARG 85 0.642 22.931 -8.038 558 HD2 ARG 85 HD2 ARG 85 2.446 24.164 -5.917 559 HD3 ARG 85 HD3 ARG 85 0.704 24.013 -5.792 560 HE ARG 85 HE ARG 85 1.879 21.393 -6.115 561 HH11 ARG 85 HH11 ARG 85 1.884 23.962 -3.686 562 HH12 ARG 85 HH12 ARG 85 2.095 22.798 -2.405 563 HH21 ARG 85 HH21 ARG 85 2.218 20.085 -4.501 564 HH22 ARG 85 HH22 ARG 85 2.173 20.616 -2.824 565 H PHE 86 H PHE 86 3.659 21.346 -11.352 566 HA PHE 86 HA PHE 86 6.600 21.318 -11.001 567 HB2 PHE 86 HB2 PHE 86 5.435 19.184 -11.168 568 HB3 PHE 86 HB3 PHE 86 4.680 19.651 -12.681 569 HD1 PHE 86 HD2 PHE 86 5.964 19.741 -14.794 570 HD2 PHE 86 HD1 PHE 86 7.762 18.389 -11.115 571 HE1 PHE 86 HE2 PHE 86 7.906 18.859 -16.062 572 HE2 PHE 86 HE1 PHE 86 9.686 17.484 -12.388 573 HZ PHE 86 HZ PHE 86 9.768 17.728 -14.865 574 H LEU 87 H LEU 87 4.304 21.934 -13.693 575 HA LEU 87 HA LEU 87 6.283 22.546 -15.628 576 HB2 LEU 87 HB2 LEU 87 3.350 23.319 -15.394 577 HB3 LEU 87 HB3 LEU 87 4.309 23.628 -16.830 578 HG LEU 87 HG LEU 87 3.746 20.850 -15.713 579 HD11 LEU 87 HD11 LEU 87 2.631 22.373 -18.105 580 HD12 LEU 87 HD12 LEU 87 1.753 22.031 -16.597 581 HD13 LEU 87 HD13 LEU 87 2.239 20.691 -17.650 582 HD21 LEU 87 HD21 LEU 87 5.079 21.765 -18.301 583 HD22 LEU 87 HD22 LEU 87 4.571 20.105 -17.948 584 HD23 LEU 87 HD23 LEU 87 5.850 20.852 -16.987 585 H GLN 88 H GLN 88 4.572 24.809 -13.394 586 HA GLN 88 HA GLN 88 5.627 27.149 -14.774 587 HB2 GLN 88 HB2 GLN 88 4.316 26.755 -12.059 588 HB3 GLN 88 HB3 GLN 88 4.817 28.325 -12.661 589 HG2 GLN 88 HG2 GLN 88 2.965 26.584 -14.338 590 HG3 GLN 88 HG3 GLN 88 2.352 27.593 -13.037 591 HE21 GLN 88 HE21 GLN 88 4.055 27.774 -16.249 592 HE22 GLN 88 HE22 GLN 88 3.695 29.486 -16.406 593 H CYS 89 H CYS 89 6.918 25.021 -12.274 594 HA CYS 89 HA CYS 89 9.152 26.897 -11.770 595 HB2 CYS 89 2HB CYS 89 8.621 24.151 -10.608 596 HB3 CYS 89 3HB CYS 89 9.772 25.364 -10.035 597 H ALA 90 H ALA 90 8.547 24.034 -13.731 598 HA ALA 90 HA ALA 90 11.309 23.780 -14.605 599 HB1 ALA 90 HB1 ALA 90 9.702 21.947 -14.885 600 HB2 ALA 90 HB2 ALA 90 8.636 22.986 -15.848 601 HB3 ALA 90 HB3 ALA 90 10.225 22.513 -16.479 602 H GLU 91 H GLU 91 8.583 25.872 -15.567 603 HA GLU 91 HA GLU 91 10.052 27.170 -17.712 604 HB2 GLU 91 HB2 GLU 91 7.511 27.066 -17.409 605 HB3 GLU 91 HB3 GLU 91 7.697 28.285 -16.145 606 HG2 GLU 91 HG2 GLU 91 8.879 29.749 -17.869 607 HG3 GLU 91 HG3 GLU 91 8.493 28.525 -19.082 608 H GLN 92 H GLN 92 9.915 27.641 -14.212 609 HA GLN 92 HA GLN 92 11.116 30.269 -14.246 610 HB2 GLN 92 HB2 GLN 92 9.532 29.007 -12.463 611 HB3 GLN 92 HB3 GLN 92 11.080 28.597 -11.749 612 HG2 GLN 92 HG2 GLN 92 10.235 30.591 -10.703 613 HG3 GLN 92 HG3 GLN 92 11.599 31.085 -11.698 614 HE21 GLN 92 HE21 GLN 92 10.213 33.194 -11.134 615 HE22 GLN 92 HE22 GLN 92 9.180 33.660 -12.483 616 H VAL 93 H VAL 93 12.577 27.474 -14.996 617 HA VAL 93 HA VAL 93 15.273 28.470 -14.136 618 HB VAL 93 HB VAL 93 16.050 26.106 -14.370 619 HG11 VAL 93 HG11 VAL 93 13.920 26.591 -12.248 620 HG12 VAL 93 HG12 VAL 93 15.261 25.428 -12.154 621 HG13 VAL 93 HG13 VAL 93 15.594 27.166 -12.179 622 HG21 VAL 93 HG21 VAL 93 14.417 24.277 -14.183 623 HG22 VAL 93 HG22 VAL 93 13.081 25.414 -14.337 624 HG23 VAL 93 HG23 VAL 93 14.194 25.158 -15.697 Start of MODEL 15 1 H TYR 11 H TYR 11 0.057 16.268 0.582 2 HA TYR 11 HA TYR 11 2.089 14.200 0.117 3 HB2 TYR 11 HB2 TYR 11 -0.744 14.085 1.194 4 HB3 TYR 11 HB3 TYR 11 0.295 12.687 1.021 5 HD1 TYR 11 HD1 TYR 11 2.408 12.458 2.364 6 HD2 TYR 11 HD2 TYR 11 -0.486 15.563 3.113 7 HE1 TYR 11 HE1 TYR 11 3.281 12.726 4.685 8 HE2 TYR 11 HE2 TYR 11 0.396 15.836 5.419 9 HH TYR 11 HH TYR 11 1.934 15.135 6.971 10 H CYS 12 H CYS 12 1.651 12.236 -0.975 11 HA CYS 12 HA CYS 12 0.057 12.463 -3.476 12 HB2 CYS 12 2HB CYS 12 1.614 10.544 -4.187 13 HB3 CYS 12 3HB CYS 12 2.253 12.173 -4.095 14 H GLY 13 H GLY 13 -1.458 10.974 -3.963 15 HA2 GLY 13 HA2 GLY 13 -2.938 9.943 -1.734 16 HA3 GLY 13 HA3 GLY 13 -3.410 9.947 -3.433 17 H ARG 14 H ARG 14 -0.668 8.404 -3.796 18 HA ARG 14 HA ARG 14 -1.352 5.761 -4.026 19 HB2 ARG 14 HB2 ARG 14 1.057 5.229 -3.557 20 HB3 ARG 14 HB3 ARG 14 0.745 6.423 -4.788 21 HG2 ARG 14 HG2 ARG 14 2.745 6.882 -3.371 22 HG3 ARG 14 HG3 ARG 14 1.589 8.214 -3.461 23 HD2 ARG 14 HD2 ARG 14 0.830 7.873 -1.275 24 HD3 ARG 14 HD3 ARG 14 1.561 6.279 -1.152 25 HE ARG 14 HE ARG 14 3.789 7.417 -1.096 26 HH11 ARG 14 HH11 ARG 14 1.085 9.410 -0.036 27 HH12 ARG 14 HH12 ARG 14 1.804 9.632 1.550 28 HH21 ARG 14 HH21 ARG 14 4.727 7.959 0.780 29 HH22 ARG 14 HH22 ARG 14 3.835 8.828 1.983 30 H GLU 15 H GLU 15 -1.025 7.328 -0.949 31 HA GLU 15 HA GLU 15 -0.506 4.828 0.469 32 HB2 GLU 15 HB2 GLU 15 0.432 7.124 1.052 33 HB3 GLU 15 HB3 GLU 15 -1.162 7.540 1.689 34 HG2 GLU 15 HG2 GLU 15 -0.913 5.613 3.303 35 HG3 GLU 15 HG3 GLU 15 0.691 5.302 2.623 36 H LEU 16 H LEU 16 -3.368 6.606 -0.386 37 HA LEU 16 HA LEU 16 -5.097 4.930 1.372 38 HB2 LEU 16 HB2 LEU 16 -5.799 7.044 -0.732 39 HB3 LEU 16 HB3 LEU 16 -6.933 6.135 0.250 40 HG LEU 16 HG LEU 16 -5.850 7.206 2.315 41 HD11 LEU 16 HD11 LEU 16 -4.715 9.054 0.167 42 HD12 LEU 16 HD12 LEU 16 -3.805 8.189 1.434 43 HD13 LEU 16 HD13 LEU 16 -4.884 9.497 1.879 44 HD21 LEU 16 HD21 LEU 16 -8.059 7.831 1.417 45 HD22 LEU 16 HD22 LEU 16 -7.293 8.969 0.290 46 HD23 LEU 16 HD23 LEU 16 -7.211 9.243 2.051 47 H GLU 17 H GLU 17 -4.183 5.412 -2.003 48 HA GLU 17 HA GLU 17 -6.109 3.588 -3.080 49 HB2 GLU 17 HB2 GLU 17 -3.574 4.831 -4.215 50 HB3 GLU 17 HB3 GLU 17 -4.784 3.959 -5.175 51 HG2 GLU 17 HG2 GLU 17 -6.490 5.579 -4.712 52 HG3 GLU 17 HG3 GLU 17 -5.521 6.368 -3.469 53 H GLN 18 H GLN 18 -2.609 3.079 -2.362 54 HA GLN 18 HA GLN 18 -2.821 0.334 -3.403 55 HB2 GLN 18 HB2 GLN 18 -0.595 1.961 -2.162 56 HB3 GLN 18 HB3 GLN 18 -0.479 0.224 -2.334 57 HG2 GLN 18 HG2 GLN 18 0.609 1.361 -4.189 58 HG3 GLN 18 HG3 GLN 18 -0.688 0.306 -4.725 59 HE21 GLN 18 HE21 GLN 18 -2.627 1.296 -5.680 60 HE22 GLN 18 HE22 GLN 18 -2.544 2.959 -6.269 61 H TYR 19 H TYR 19 -3.205 1.884 -0.238 62 HA TYR 19 HA TYR 19 -3.250 -0.576 1.292 63 HB2 TYR 19 HB2 TYR 19 -3.132 1.708 2.296 64 HB3 TYR 19 HB3 TYR 19 -4.772 2.023 1.760 65 HD1 TYR 19 HD1 TYR 19 -2.670 -0.157 3.937 66 HD2 TYR 19 HD2 TYR 19 -6.640 1.303 3.126 67 HE1 TYR 19 HE1 TYR 19 -3.475 -1.178 6.060 68 HE2 TYR 19 HE2 TYR 19 -7.436 0.325 5.276 69 HH TYR 19 HH TYR 19 -6.880 -0.922 7.143 70 H GLY 20 H GLY 20 -5.700 1.251 -0.572 71 HA2 GLY 20 HA2 GLY 20 -8.009 -0.077 0.119 72 HA3 GLY 20 HA3 GLY 20 -7.722 0.660 -1.464 73 H GLN 21 H GLN 21 -5.865 -1.119 -2.646 74 HA GLN 21 HA GLN 21 -7.531 -3.393 -3.288 75 HB2 GLN 21 HB2 GLN 21 -5.405 -2.324 -4.572 76 HB3 GLN 21 HB3 GLN 21 -4.537 -3.588 -3.650 77 HG2 GLN 21 HG2 GLN 21 -6.051 -5.307 -4.598 78 HG3 GLN 21 HG3 GLN 21 -6.900 -4.066 -5.518 79 HE21 GLN 21 HE21 GLN 21 -5.512 -2.792 -7.151 80 HE22 GLN 21 HE22 GLN 21 -4.240 -3.716 -7.949 81 H CYS 22 H CYS 22 -4.734 -3.096 -1.114 82 HA CYS 22 HA CYS 22 -4.576 -5.912 -0.584 83 HB2 CYS 22 2HB CYS 22 -3.362 -3.417 0.611 84 HB3 CYS 22 3HB CYS 22 -3.007 -5.039 1.234 85 H VAL 23 H VAL 23 -6.010 -3.204 1.366 86 HA VAL 23 HA VAL 23 -6.804 -4.965 3.509 87 HB VAL 23 HB VAL 23 -6.420 -2.448 3.615 88 HG11 VAL 23 HG11 VAL 23 -9.347 -2.270 2.759 89 HG12 VAL 23 HG12 VAL 23 -8.279 -0.947 3.234 90 HG13 VAL 23 HG13 VAL 23 -7.974 -1.819 1.730 91 HG21 VAL 23 HG21 VAL 23 -8.947 -3.571 4.893 92 HG22 VAL 23 HG22 VAL 23 -7.286 -3.721 5.511 93 HG23 VAL 23 HG23 VAL 23 -8.066 -2.136 5.421 94 H ALA 24 H ALA 24 -8.410 -4.043 0.482 95 HA ALA 24 HA ALA 24 -10.990 -5.112 1.321 96 HB1 ALA 24 HB1 ALA 24 -10.799 -3.254 -0.256 97 HB2 ALA 24 HB2 ALA 24 -9.919 -4.297 -1.411 98 HB3 ALA 24 HB3 ALA 24 -11.609 -4.633 -1.003 99 H ALA 25 H ALA 25 -8.086 -6.573 0.128 100 HA ALA 25 HA ALA 25 -9.456 -8.997 -0.830 101 HB1 ALA 25 HB1 ALA 25 -7.189 -9.811 -1.212 102 HB2 ALA 25 HB2 ALA 25 -7.371 -8.177 -1.880 103 HB3 ALA 25 HB3 ALA 25 -6.503 -8.413 -0.354 104 H LYS 26 H LYS 26 -7.226 -8.220 1.892 105 HA LYS 26 HA LYS 26 -9.015 -9.425 3.822 106 HB2 LYS 26 HB2 LYS 26 -6.173 -10.520 3.808 107 HB3 LYS 26 HB3 LYS 26 -7.471 -10.921 4.917 108 HG2 LYS 26 HG2 LYS 26 -8.713 -12.043 3.106 109 HG3 LYS 26 HG3 LYS 26 -7.407 -11.663 1.964 110 HD2 LYS 26 HD2 LYS 26 -5.831 -13.020 3.163 111 HD3 LYS 26 HD3 LYS 26 -6.999 -13.332 4.469 112 HE2 LYS 26 HE2 LYS 26 -8.493 -14.495 2.925 113 HE3 LYS 26 HE3 LYS 26 -7.446 -14.120 1.551 114 HZ1 LYS 26 HZ1 LYS 26 -5.768 -15.587 2.429 115 HZ2 LYS 26 HZ2 LYS 26 -7.165 -16.412 2.493 116 HZ3 LYS 26 HZ3 LYS 26 -6.530 -15.750 3.860 117 HA PRO 27 HA PRO 27 -7.076 -6.067 6.207 118 HB2 PRO 27 HB2 PRO 27 -7.352 -7.943 8.563 119 HB3 PRO 27 HB3 PRO 27 -7.761 -6.203 8.456 120 HG2 PRO 27 HG2 PRO 27 -9.723 -8.058 8.308 121 HG3 PRO 27 HG3 PRO 27 -9.727 -6.675 7.163 122 HD2 PRO 27 HD2 PRO 27 -8.758 -9.508 6.684 123 HD3 PRO 27 HD3 PRO 27 -9.781 -8.471 5.644 124 H GLU 28 H GLU 28 -5.917 -9.361 6.589 125 HA GLU 28 HA GLU 28 -3.150 -8.681 7.335 126 HB2 GLU 28 HB2 GLU 28 -2.878 -11.158 7.246 127 HB3 GLU 28 HB3 GLU 28 -4.082 -10.565 8.388 128 HG2 GLU 28 HG2 GLU 28 -5.898 -11.149 6.748 129 HG3 GLU 28 HG3 GLU 28 -4.673 -11.802 5.670 130 H SER 29 H SER 29 -4.753 -8.695 4.315 131 HA SER 29 HA SER 29 -2.374 -9.566 2.844 132 HB2 SER 29 HB2 SER 29 -5.039 -8.540 1.876 133 HB3 SER 29 HB3 SER 29 -3.683 -9.003 0.824 134 HG SER 29 HG SER 29 -4.791 -10.863 1.056 135 H TRP 30 H TRP 30 -3.022 -6.644 4.424 136 HA TRP 30 HA TRP 30 -1.357 -5.108 2.521 137 HB2 TRP 30 HB2 TRP 30 -3.078 -4.016 4.016 138 HB3 TRP 30 HB3 TRP 30 -1.977 -4.304 5.359 139 HD1 TRP 30 HD1 TRP 30 -1.618 -2.810 1.788 140 HE1 TRP 30 HE1 TRP 30 -0.167 -0.707 1.853 141 HE3 TRP 30 HE3 TRP 30 -0.799 -2.568 6.837 142 HZ2 TRP 30 HZ2 TRP 30 1.222 0.844 3.832 143 HZ3 TRP 30 HZ3 TRP 30 0.627 -0.768 7.782 144 HH2 TRP 30 HH2 TRP 30 1.648 0.937 6.293 145 H GLN 31 H GLN 31 -0.798 -7.325 5.185 146 HA GLN 31 HA GLN 31 2.091 -6.841 5.169 147 HB2 GLN 31 HB2 GLN 31 0.902 -7.723 7.122 148 HB3 GLN 31 HB3 GLN 31 0.431 -9.161 6.214 149 HG2 GLN 31 HG2 GLN 31 2.834 -9.797 6.008 150 HG3 GLN 31 HG3 GLN 31 3.275 -8.382 6.968 151 HE21 GLN 31 HE21 GLN 31 4.155 -10.739 8.020 152 HE22 GLN 31 HE22 GLN 31 3.104 -11.264 9.326 153 H ARG 32 H ARG 32 -0.118 -9.281 3.726 154 HA ARG 32 HA ARG 32 2.142 -10.503 2.299 155 HB2 ARG 32 HB2 ARG 32 -0.769 -11.299 2.397 156 HB3 ARG 32 HB3 ARG 32 0.519 -12.178 1.553 157 HG2 ARG 32 HG2 ARG 32 1.791 -12.255 3.773 158 HG3 ARG 32 HG3 ARG 32 0.306 -11.687 4.553 159 HD2 ARG 32 HD2 ARG 32 0.633 -14.218 2.885 160 HD3 ARG 32 HD3 ARG 32 0.552 -14.160 4.633 161 HE ARG 32 HE ARG 32 -1.685 -13.734 2.721 162 HH11 ARG 32 HH11 ARG 32 -0.832 -13.902 6.183 163 HH12 ARG 32 HH12 ARG 32 -2.554 -13.981 6.576 164 HH21 ARG 32 HH21 ARG 32 -3.687 -13.787 3.420 165 HH22 ARG 32 HH22 ARG 32 -4.028 -13.938 5.171 166 H ASP 33 H ASP 33 -0.735 -8.765 0.947 167 HA ASP 33 HA ASP 33 0.303 -9.282 -1.756 168 HB2 ASP 33 HB2 ASP 33 -2.197 -9.265 -1.038 169 HB3 ASP 33 HB3 ASP 33 -2.092 -7.500 -1.175 170 H CYS 34 H CYS 34 0.404 -6.657 0.557 171 HA CYS 34 HA CYS 34 1.770 -4.883 -1.444 172 HB2 CYS 34 2HB CYS 34 0.351 -4.371 1.187 173 HB3 CYS 34 3HB CYS 34 1.423 -3.200 0.459 174 H HIS 35 H HIS 35 3.716 -6.237 -1.314 175 HA HIS 35 HA HIS 35 5.499 -5.202 0.848 176 HB2 HIS 35 2HB HIS 35 5.673 -7.655 0.442 177 HB3 HIS 35 3HB HIS 35 6.152 -7.326 -1.225 178 HD1 HIS 35 1HD HIS 35 7.461 -6.967 2.382 179 HD2 HIS 35 2HD HIS 35 8.663 -6.349 -1.606 180 HE1 HIS 35 1HE HIS 35 9.961 -6.507 2.454 181 H TYR 36 H TYR 36 5.453 -5.547 -2.739 182 HA TYR 36 HA TYR 36 7.509 -3.581 -3.126 183 HB2 TYR 36 HB2 TYR 36 6.932 -5.293 -4.792 184 HB3 TYR 36 HB3 TYR 36 5.335 -4.587 -5.000 185 HD1 TYR 36 HD2 TYR 36 8.973 -4.102 -5.625 186 HD2 TYR 36 HD1 TYR 36 4.994 -2.612 -6.369 187 HE1 TYR 36 HE2 TYR 36 9.866 -2.595 -7.398 188 HE2 TYR 36 HE1 TYR 36 5.892 -1.086 -8.113 189 HH TYR 36 HH TYR 36 9.386 -0.945 -8.924 190 H LEU 37 H LEU 37 3.954 -3.312 -2.953 191 HA LEU 37 HA LEU 37 3.857 -0.513 -3.556 192 HB2 LEU 37 HB2 LEU 37 1.924 -2.228 -1.944 193 HB3 LEU 37 HB3 LEU 37 1.646 -0.576 -2.442 194 HG LEU 37 HG LEU 37 0.422 -1.715 -3.969 195 HD11 LEU 37 HD11 LEU 37 2.030 -0.175 -5.142 196 HD12 LEU 37 HD12 LEU 37 1.400 -1.489 -6.143 197 HD13 LEU 37 HD13 LEU 37 3.044 -1.589 -5.498 198 HD21 LEU 37 HD21 LEU 37 1.126 -3.992 -3.418 199 HD22 LEU 37 HD22 LEU 37 2.602 -3.781 -4.404 200 HD23 LEU 37 HD23 LEU 37 0.999 -3.730 -5.153 201 H LYS 38 H LYS 38 4.735 -2.134 -0.520 202 HA LYS 38 HA LYS 38 4.451 0.323 1.073 203 HB2 LYS 38 HB2 LYS 38 5.752 -2.357 1.661 204 HB3 LYS 38 HB3 LYS 38 5.893 -0.955 2.726 205 HG2 LYS 38 HG2 LYS 38 3.409 -0.789 2.850 206 HG3 LYS 38 HG3 LYS 38 3.276 -2.266 1.882 207 HD2 LYS 38 HD2 LYS 38 4.533 -3.512 3.639 208 HD3 LYS 38 HD3 LYS 38 4.683 -2.014 4.581 209 HE2 LYS 38 HE2 LYS 38 2.206 -1.840 4.670 210 HE3 LYS 38 HE3 LYS 38 2.064 -3.365 3.790 211 HZ1 LYS 38 HZ1 LYS 38 3.215 -4.430 5.679 212 HZ2 LYS 38 HZ2 LYS 38 1.839 -3.683 6.189 213 HZ3 LYS 38 HZ3 LYS 38 3.327 -3.003 6.453 214 H MET 39 H MET 39 6.952 -1.067 -0.986 215 HA MET 39 HA MET 39 8.765 1.178 -0.378 216 HB2 MET 39 HB2 MET 39 9.725 -0.873 -1.190 217 HB3 MET 39 HB3 MET 39 8.782 -0.799 -2.674 218 HG2 MET 39 HG2 MET 39 11.123 -0.065 -2.982 219 HG3 MET 39 HG3 MET 39 9.950 1.161 -3.430 220 HE1 MET 39 HE1 MET 39 12.637 1.400 0.361 221 HE2 MET 39 HE2 MET 39 11.287 0.252 0.257 222 HE3 MET 39 HE3 MET 39 12.698 0.070 -0.816 223 H SER 40 H SER 40 6.305 0.567 -2.993 224 HA SER 40 HA SER 40 6.785 2.943 -4.391 225 HB2 SER 40 HB2 SER 40 4.096 1.574 -4.089 226 HB3 SER 40 HB3 SER 40 4.547 2.762 -5.324 227 HG SER 40 HG SER 40 4.877 0.831 -6.253 228 H ILE 41 H ILE 41 4.713 2.608 -1.473 229 HA ILE 41 HA ILE 41 3.957 5.438 -1.590 230 HB ILE 41 HB ILE 41 3.004 5.152 0.598 231 HG12 ILE 41 HG12 ILE 41 4.481 2.503 0.698 232 HG13 ILE 41 HG13 ILE 41 4.695 3.895 1.757 233 HG21 ILE 41 HG21 ILE 41 1.851 4.179 -1.478 234 HG22 ILE 41 HG22 ILE 41 2.386 2.598 -0.932 235 HG23 ILE 41 HG23 ILE 41 1.306 3.552 0.085 236 HD11 ILE 41 HD11 ILE 41 2.312 2.022 1.683 237 HD12 ILE 41 HD12 ILE 41 3.492 2.242 2.982 238 HD13 ILE 41 HD13 ILE 41 2.350 3.547 2.598 239 H ALA 42 H ALA 42 6.653 3.715 -0.053 240 HA ALA 42 HA ALA 42 7.523 5.976 1.494 241 HB1 ALA 42 HB1 ALA 42 9.547 4.622 1.831 242 HB2 ALA 42 HB2 ALA 42 8.090 3.638 2.053 243 HB3 ALA 42 HB3 ALA 42 9.040 3.500 0.555 244 H GLN 43 H GLN 43 8.593 4.725 -1.734 245 HA GLN 43 HA GLN 43 10.693 6.551 -2.043 246 HB2 GLN 43 HB2 GLN 43 10.714 5.971 -4.368 247 HB3 GLN 43 HB3 GLN 43 10.336 4.533 -3.417 248 HG2 GLN 43 HG2 GLN 43 7.914 4.881 -3.977 249 HG3 GLN 43 HG3 GLN 43 8.359 6.241 -5.009 250 HE21 GLN 43 HE21 GLN 43 7.057 4.717 -6.527 251 HE22 GLN 43 HE22 GLN 43 8.064 3.559 -7.413 252 H CYS 44 H CYS 44 7.252 7.122 -2.821 253 HA CYS 44 HA CYS 44 7.604 9.596 -4.181 254 HB2 CYS 44 2HB CYS 44 5.441 8.413 -4.169 255 HB3 CYS 44 3HB CYS 44 5.291 8.684 -2.427 256 H THR 45 H THR 45 6.990 9.008 -0.642 257 HA THR 45 HA THR 45 7.544 11.824 -0.026 258 HB THR 45 HB THR 45 7.468 10.853 2.406 259 HG1 THR 45 HG1 THR 45 7.425 8.744 2.226 260 HG21 THR 45 HG21 THR 45 4.991 10.891 2.311 261 HG22 THR 45 HG22 THR 45 5.071 10.895 0.529 262 HG23 THR 45 HG23 THR 45 5.723 12.258 1.459 263 H SER 46 H SER 46 9.601 9.045 -0.294 264 HA SER 46 HA SER 46 11.756 9.874 1.343 265 HB2 SER 46 HB2 SER 46 11.640 7.643 0.430 266 HB3 SER 46 HB3 SER 46 11.706 8.277 -1.225 267 HG SER 46 HG SER 46 13.742 8.366 0.753 268 H SER 47 H SER 47 11.284 10.503 -2.203 269 HA SER 47 HA SER 47 13.331 12.646 -2.124 270 HB2 SER 47 HB2 SER 47 11.447 11.729 -4.315 271 HB3 SER 47 HB3 SER 47 12.696 12.983 -4.496 272 HG SER 47 HG SER 47 12.994 10.380 -4.754 273 H HIS 48 H HIS 48 9.834 12.364 -2.074 274 HA HIS 48 HA HIS 48 8.154 13.664 -1.578 275 HB2 HIS 48 2HB HIS 48 9.600 14.208 0.370 276 HB3 HIS 48 3HB HIS 48 10.019 15.716 -0.426 277 HD1 HIS 48 1HD HIS 48 7.795 17.393 -0.907 278 HD2 HIS 48 2HD HIS 48 7.378 14.138 1.729 279 HE1 HIS 48 1HE HIS 48 5.710 17.847 0.461 280 HA PRO 49 HA PRO 49 7.794 16.113 -5.322 281 HB2 PRO 49 HB2 PRO 49 5.011 16.523 -4.206 282 HB3 PRO 49 HB3 PRO 49 5.502 16.159 -5.888 283 HG2 PRO 49 HG2 PRO 49 4.542 14.185 -4.308 284 HG3 PRO 49 HG3 PRO 49 5.991 13.879 -5.322 285 HD2 PRO 49 HD2 PRO 49 5.877 14.588 -2.371 286 HD3 PRO 49 HD3 PRO 49 6.827 13.319 -3.204 287 H ILE 50 H ILE 50 7.861 18.314 -5.835 288 HA ILE 50 HA ILE 50 8.130 20.110 -3.472 289 HB ILE 50 HB ILE 50 9.449 21.557 -5.074 290 HG12 ILE 50 HG12 ILE 50 9.793 19.018 -6.710 291 HG13 ILE 50 HG13 ILE 50 8.605 20.245 -7.143 292 HG21 ILE 50 HG21 ILE 50 11.487 20.280 -4.654 293 HG22 ILE 50 HG22 ILE 50 10.411 20.214 -3.259 294 HG23 ILE 50 HG23 ILE 50 10.532 18.812 -4.346 295 HD11 ILE 50 HD11 ILE 50 10.684 20.545 -8.404 296 HD12 ILE 50 HD12 ILE 50 10.338 21.943 -7.370 297 HD13 ILE 50 HD13 ILE 50 11.589 20.771 -6.896 298 H ILE 51 H ILE 51 7.285 22.047 -3.224 299 HA ILE 51 HA ILE 51 4.730 22.475 -4.091 300 HB ILE 51 HB ILE 51 5.735 23.371 -2.058 301 HG12 ILE 51 HG12 ILE 51 4.309 25.534 -3.651 302 HG13 ILE 51 HG13 ILE 51 3.515 24.091 -3.010 303 HG21 ILE 51 HG21 ILE 51 6.966 25.448 -1.996 304 HG22 ILE 51 HG22 ILE 51 7.813 24.349 -3.076 305 HG23 ILE 51 HG23 ILE 51 6.826 25.667 -3.748 306 HD11 ILE 51 HD11 ILE 51 3.152 25.953 -1.502 307 HD12 ILE 51 HD12 ILE 51 4.174 24.740 -0.706 308 HD13 ILE 51 HD13 ILE 51 4.892 26.236 -1.348 309 H ARG 52 H ARG 52 7.618 23.902 -5.716 310 HA ARG 52 HA ARG 52 5.968 25.566 -7.431 311 HB2 ARG 52 HB2 ARG 52 8.346 26.074 -7.033 312 HB3 ARG 52 HB3 ARG 52 8.814 24.590 -7.869 313 HG2 ARG 52 HG2 ARG 52 9.048 26.593 -9.305 314 HG3 ARG 52 HG3 ARG 52 7.943 25.407 -9.978 315 HD2 ARG 52 HD2 ARG 52 7.034 27.642 -10.307 316 HD3 ARG 52 HD3 ARG 52 5.990 26.754 -9.225 317 HE ARG 52 HE ARG 52 6.556 28.181 -7.454 318 HH11 ARG 52 HH11 ARG 52 8.568 29.038 -10.248 319 HH12 ARG 52 HH12 ARG 52 9.367 30.298 -9.307 320 HH21 ARG 52 HH21 ARG 52 7.439 30.089 -6.581 321 HH22 ARG 52 HH22 ARG 52 8.774 30.843 -7.449 322 H GLN 53 H GLN 53 7.271 22.274 -7.872 323 HA GLN 53 HA GLN 53 6.437 22.097 -10.623 324 HB2 GLN 53 HB2 GLN 53 8.219 20.749 -9.462 325 HB3 GLN 53 HB3 GLN 53 6.927 19.817 -8.678 326 HG2 GLN 53 HG2 GLN 53 6.122 19.079 -10.906 327 HG3 GLN 53 HG3 GLN 53 7.359 20.068 -11.693 328 HE21 GLN 53 HE21 GLN 53 7.544 17.479 -12.477 329 HE22 GLN 53 HE22 GLN 53 8.720 16.606 -11.502 330 H ILE 54 H ILE 54 4.834 21.091 -7.534 331 HA ILE 54 HA ILE 54 2.466 20.177 -8.948 332 HB ILE 54 HB ILE 54 1.361 20.059 -6.817 333 HG12 ILE 54 HG12 ILE 54 3.798 21.465 -5.713 334 HG13 ILE 54 HG13 ILE 54 2.132 22.039 -5.683 335 HG21 ILE 54 HG21 ILE 54 2.734 18.303 -5.876 336 HG22 ILE 54 HG22 ILE 54 2.927 18.280 -7.627 337 HG23 ILE 54 HG23 ILE 54 4.203 18.980 -6.607 338 HD11 ILE 54 HD11 ILE 54 1.574 20.059 -4.194 339 HD12 ILE 54 HD12 ILE 54 3.322 19.749 -4.078 340 HD13 ILE 54 HD13 ILE 54 2.655 21.275 -3.483 341 H ARG 55 H ARG 55 3.327 23.398 -7.581 342 HA ARG 55 HA ARG 55 0.791 24.605 -8.165 343 HB2 ARG 55 HB2 ARG 55 2.456 25.582 -6.678 344 HB3 ARG 55 HB3 ARG 55 3.587 25.826 -8.008 345 HG2 ARG 55 HG2 ARG 55 0.844 27.054 -8.205 346 HG3 ARG 55 HG3 ARG 55 1.954 27.756 -7.050 347 HD2 ARG 55 HD2 ARG 55 2.953 27.311 -9.869 348 HD3 ARG 55 HD3 ARG 55 1.827 28.635 -9.548 349 HE ARG 55 HE ARG 55 4.046 28.590 -7.659 350 HH11 ARG 55 HH11 ARG 55 3.490 29.538 -10.994 351 HH12 ARG 55 HH12 ARG 55 4.217 31.123 -10.750 352 HH21 ARG 55 HH21 ARG 55 5.077 30.598 -7.466 353 HH22 ARG 55 HH22 ARG 55 5.221 31.608 -8.871 354 H GLN 56 H GLN 56 3.531 23.940 -10.275 355 HA GLN 56 HA GLN 56 2.397 25.255 -12.615 356 HB2 GLN 56 HB2 GLN 56 4.613 23.216 -12.198 357 HB3 GLN 56 HB3 GLN 56 4.166 23.829 -13.788 358 HG2 GLN 56 HG2 GLN 56 4.832 26.059 -13.261 359 HG3 GLN 56 HG3 GLN 56 4.964 25.719 -11.542 360 HE21 GLN 56 HE21 GLN 56 7.172 26.949 -12.629 361 HE22 GLN 56 HE22 GLN 56 8.442 25.760 -12.807 362 H ALA 57 H ALA 57 2.655 21.783 -11.626 363 HA ALA 57 HA ALA 57 1.228 20.786 -13.881 364 HB1 ALA 57 HB1 ALA 57 1.490 18.646 -12.740 365 HB2 ALA 57 HB2 ALA 57 2.979 19.590 -12.575 366 HB3 ALA 57 HB3 ALA 57 1.855 19.466 -11.206 367 H CYS 58 H CYS 58 0.007 21.941 -10.827 368 HA CYS 58 HA CYS 58 -2.684 20.811 -11.382 369 HB2 CYS 58 2HB CYS 58 -1.567 21.669 -8.719 370 HB3 CYS 58 3HB CYS 58 -3.036 20.744 -9.018 371 H ALA 59 H ALA 59 -1.477 23.389 -12.324 372 HA ALA 59 HA ALA 59 -2.210 25.720 -11.205 373 HB1 ALA 59 HB1 ALA 59 -2.376 24.871 -14.131 374 HB2 ALA 59 HB2 ALA 59 -2.316 26.549 -13.571 375 HB3 ALA 59 HB3 ALA 59 -0.941 25.469 -13.264 376 H GLN 60 H GLN 60 -4.593 23.754 -13.122 377 HA GLN 60 HA GLN 60 -6.415 25.985 -13.235 378 HB2 GLN 60 HB2 GLN 60 -6.993 23.081 -13.892 379 HB3 GLN 60 HB3 GLN 60 -7.949 24.484 -14.366 380 HG2 GLN 60 HG2 GLN 60 -5.091 23.868 -15.266 381 HG3 GLN 60 HG3 GLN 60 -6.552 23.643 -16.203 382 HE21 GLN 60 HE21 GLN 60 -7.050 25.290 -17.614 383 HE22 GLN 60 HE22 GLN 60 -6.406 26.924 -17.476 384 HA PRO 61 HA PRO 61 -8.833 24.219 -9.616 385 HB2 PRO 61 HB2 PRO 61 -7.990 22.135 -8.096 386 HB3 PRO 61 HB3 PRO 61 -8.966 21.939 -9.576 387 HG2 PRO 61 HG2 PRO 61 -5.951 21.706 -9.318 388 HG3 PRO 61 HG3 PRO 61 -7.105 20.578 -10.105 389 HD2 PRO 61 HD2 PRO 61 -5.722 22.417 -11.545 390 HD3 PRO 61 HD3 PRO 61 -7.406 21.985 -11.947 391 H PHE 62 H PHE 62 -5.257 24.424 -9.499 392 HA PHE 62 HA PHE 62 -5.169 25.571 -6.832 393 HB2 PHE 62 HB2 PHE 62 -3.310 25.419 -9.194 394 HB3 PHE 62 HB3 PHE 62 -3.081 26.773 -8.140 395 HD1 PHE 62 HD1 PHE 62 -3.659 23.062 -7.640 396 HD2 PHE 62 HD2 PHE 62 -1.347 26.563 -6.662 397 HE1 PHE 62 HE1 PHE 62 -2.211 21.698 -6.143 398 HE2 PHE 62 HE2 PHE 62 0.107 25.187 -5.188 399 HZ PHE 62 HZ PHE 62 -0.340 22.762 -4.914 400 H GLU 63 H GLU 63 -5.994 26.933 -9.969 401 HA GLU 63 HA GLU 63 -6.352 29.630 -8.875 402 HB2 GLU 63 HB2 GLU 63 -5.760 29.044 -11.277 403 HB3 GLU 63 HB3 GLU 63 -7.374 28.360 -11.461 404 HG2 GLU 63 HG2 GLU 63 -8.301 30.649 -10.868 405 HG3 GLU 63 HG3 GLU 63 -6.645 31.265 -10.945 406 H ALA 64 H ALA 64 -8.648 27.040 -9.958 407 HA ALA 64 HA ALA 64 -10.927 28.505 -9.226 408 HB1 ALA 64 HB1 ALA 64 -12.143 26.441 -9.636 409 HB2 ALA 64 HB2 ALA 64 -10.844 26.618 -10.826 410 HB3 ALA 64 HB3 ALA 64 -10.663 25.482 -9.465 411 H PHE 65 H PHE 65 -9.035 26.323 -7.093 412 HA PHE 65 HA PHE 65 -10.956 26.235 -4.909 413 HB2 PHE 65 HB2 PHE 65 -9.173 24.644 -4.926 414 HB3 PHE 65 HB3 PHE 65 -7.973 25.899 -5.214 415 HD1 PHE 65 HD2 PHE 65 -10.514 25.062 -2.551 416 HD2 PHE 65 HD1 PHE 65 -6.573 26.532 -3.499 417 HE1 PHE 65 HE2 PHE 65 -9.980 25.213 -0.129 418 HE2 PHE 65 HE1 PHE 65 -6.045 26.669 -1.084 419 HZ PHE 65 HZ PHE 65 -7.739 25.986 0.605 420 H GLU 66 H GLU 66 -8.151 28.339 -5.615 421 HA GLU 66 HA GLU 66 -8.458 29.742 -3.081 422 HB2 GLU 66 HB2 GLU 66 -6.311 29.170 -3.696 423 HB3 GLU 66 HB3 GLU 66 -6.504 29.622 -5.370 424 HG2 GLU 66 HG2 GLU 66 -6.535 32.045 -4.665 425 HG3 GLU 66 HG3 GLU 66 -6.330 31.524 -2.985 426 H GLU 67 H GLU 67 -9.317 30.403 -6.433 427 HA GLU 67 HA GLU 67 -10.272 33.077 -6.224 428 HB2 GLU 67 HB2 GLU 67 -10.047 31.753 -8.312 429 HB3 GLU 67 HB3 GLU 67 -11.334 30.667 -7.770 430 HG2 GLU 67 HG2 GLU 67 -12.911 32.643 -7.792 431 HG3 GLU 67 HG3 GLU 67 -11.601 33.618 -8.470 432 H CYS 68 H CYS 68 -11.877 29.952 -5.261 433 HA CYS 68 HA CYS 68 -14.328 31.366 -4.579 434 HB2 CYS 68 2HB CYS 68 -14.236 28.955 -5.262 435 HB3 CYS 68 3HB CYS 68 -13.557 28.588 -3.666 436 H LEU 69 H LEU 69 -11.525 30.157 -2.589 437 HA LEU 69 HA LEU 69 -12.538 31.111 -0.139 438 HB2 LEU 69 HB2 LEU 69 -9.666 30.754 -1.052 439 HB3 LEU 69 HB3 LEU 69 -10.188 30.986 0.592 440 HG LEU 69 HG LEU 69 -10.224 28.549 -1.110 441 HD11 LEU 69 HD11 LEU 69 -8.663 28.870 0.747 442 HD12 LEU 69 HD12 LEU 69 -9.727 27.494 1.078 443 HD13 LEU 69 HD13 LEU 69 -10.014 29.033 1.893 444 HD21 LEU 69 HD21 LEU 69 -12.417 28.801 0.995 445 HD22 LEU 69 HD22 LEU 69 -11.918 27.329 0.154 446 HD23 LEU 69 HD23 LEU 69 -12.665 28.626 -0.755 447 H ARG 70 H ARG 70 -10.895 32.962 -2.741 448 HA ARG 70 HA ARG 70 -10.463 35.382 -1.294 449 HB2 ARG 70 HB2 ARG 70 -9.716 34.844 -3.615 450 HB3 ARG 70 HB3 ARG 70 -11.356 35.070 -4.202 451 HG2 ARG 70 HG2 ARG 70 -10.067 37.317 -2.654 452 HG3 ARG 70 HG3 ARG 70 -9.511 36.971 -4.290 453 HD2 ARG 70 HD2 ARG 70 -11.643 37.358 -5.269 454 HD3 ARG 70 HD3 ARG 70 -12.454 37.450 -3.712 455 HE ARG 70 HE ARG 70 -10.864 39.534 -5.041 456 HH11 ARG 70 HH11 ARG 70 -12.151 38.562 -1.897 457 HH12 ARG 70 HH12 ARG 70 -12.085 40.205 -1.288 458 HH21 ARG 70 HH21 ARG 70 -11.038 41.619 -4.224 459 HH22 ARG 70 HH22 ARG 70 -11.637 41.886 -2.609 460 H GLN 71 H GLN 71 -13.415 33.962 -2.359 461 HA GLN 71 HA GLN 71 -15.068 36.258 -1.406 462 HB2 GLN 71 HB2 GLN 71 -15.837 33.741 -2.932 463 HB3 GLN 71 HB3 GLN 71 -16.911 35.085 -2.528 464 HG2 GLN 71 HG2 GLN 71 -15.507 36.599 -3.925 465 HG3 GLN 71 HG3 GLN 71 -14.471 35.238 -4.357 466 HE21 GLN 71 HE21 GLN 71 -15.286 36.334 -6.542 467 HE22 GLN 71 HE22 GLN 71 -16.720 35.612 -7.213 468 H ASN 72 H ASN 72 -14.213 32.954 -0.505 469 HA ASN 72 HA ASN 72 -16.022 32.982 1.861 470 HB2 ASN 72 HB2 ASN 72 -15.866 30.721 -0.168 471 HB3 ASN 72 HB3 ASN 72 -16.947 30.822 1.187 472 HD21 ASN 72 HD21 ASN 72 -16.608 31.513 -2.127 473 HD22 ASN 72 HD22 ASN 72 -18.192 32.249 -2.322 474 H GLU 73 H GLU 73 -13.079 33.094 2.111 475 HA GLU 73 HA GLU 73 -11.875 30.568 2.087 476 HB2 GLU 73 HB2 GLU 73 -10.041 31.444 3.284 477 HB3 GLU 73 HB3 GLU 73 -10.616 32.722 2.238 478 HG2 GLU 73 HG2 GLU 73 -11.699 33.836 4.180 479 HG3 GLU 73 HG3 GLU 73 -11.163 32.527 5.234 480 H ALA 74 H ALA 74 -14.020 31.809 4.453 481 HA ALA 74 HA ALA 74 -13.389 29.997 6.661 482 HB1 ALA 74 HB1 ALA 74 -15.669 31.925 6.069 483 HB2 ALA 74 HB2 ALA 74 -15.347 31.166 7.648 484 HB3 ALA 74 HB3 ALA 74 -14.181 32.321 6.963 485 H ALA 75 H ALA 75 -15.355 29.759 3.778 486 HA ALA 75 HA ALA 75 -17.322 27.955 5.097 487 HB1 ALA 75 HB1 ALA 75 -18.209 30.182 4.771 488 HB2 ALA 75 HB2 ALA 75 -17.828 30.112 3.040 489 HB3 ALA 75 HB3 ALA 75 -19.039 29.016 3.729 490 H VAL 76 H VAL 76 -15.338 26.588 4.188 491 HA VAL 76 HA VAL 76 -15.328 25.825 1.441 492 HB VAL 76 HB VAL 76 -14.340 24.040 3.672 493 HG11 VAL 76 HG11 VAL 76 -14.068 23.205 1.357 494 HG12 VAL 76 HG12 VAL 76 -13.264 24.719 0.893 495 HG13 VAL 76 HG13 VAL 76 -12.501 23.611 2.051 496 HG21 VAL 76 HG21 VAL 76 -13.470 26.219 4.333 497 HG22 VAL 76 HG22 VAL 76 -12.172 25.302 3.587 498 HG23 VAL 76 HG23 VAL 76 -12.984 26.579 2.656 499 H GLY 77 H GLY 77 -17.665 25.081 3.844 500 HA2 GLY 77 HA2 GLY 77 -18.751 22.636 2.864 501 HA3 GLY 77 HA3 GLY 77 -19.658 23.962 3.581 502 H ASN 78 H ASN 78 -19.002 25.979 1.593 503 HA ASN 78 HA ASN 78 -21.067 25.313 -0.364 504 HB2 ASN 78 HB2 ASN 78 -21.003 27.469 0.813 505 HB3 ASN 78 HB3 ASN 78 -19.419 27.833 0.128 506 HD21 ASN 78 HD21 ASN 78 -19.290 28.418 -2.154 507 HD22 ASN 78 HD22 ASN 78 -20.752 28.835 -3.020 508 H CYS 79 H CYS 79 -17.525 25.564 -0.476 509 HA CYS 79 HA CYS 79 -17.564 24.332 -3.136 510 HB2 CYS 79 2HB CYS 79 -15.942 26.002 -4.056 511 HB3 CYS 79 3HB CYS 79 -17.552 26.655 -3.783 512 H ALA 80 H ALA 80 -15.979 22.845 -3.267 513 HA ALA 80 HA ALA 80 -13.621 22.957 -1.457 514 HB1 ALA 80 HB1 ALA 80 -15.381 21.867 -0.200 515 HB2 ALA 80 HB2 ALA 80 -15.675 20.712 -1.524 516 HB3 ALA 80 HB3 ALA 80 -14.132 20.696 -0.633 517 H GLU 81 H GLU 81 -12.947 23.522 -3.735 518 HA GLU 81 HA GLU 81 -12.495 21.258 -5.554 519 HB2 GLU 81 HB2 GLU 81 -11.708 24.182 -5.761 520 HB3 GLU 81 HB3 GLU 81 -11.390 22.944 -6.992 521 HG2 GLU 81 HG2 GLU 81 -13.852 22.410 -7.022 522 HG3 GLU 81 HG3 GLU 81 -14.142 23.772 -5.948 523 H HIS 82 H HIS 82 -10.831 22.527 -2.846 524 HA HIS 82 HA HIS 82 -8.145 21.962 -3.354 525 HB2 HIS 82 2HB HIS 82 -7.891 21.516 -1.004 526 HB3 HIS 82 3HB HIS 82 -8.939 22.898 -1.234 527 HD1 HIS 82 1HD HIS 82 -8.981 19.325 0.106 528 HD2 HIS 82 2HD HIS 82 -11.488 22.671 -0.335 529 HE1 HIS 82 1HE HIS 82 -11.090 18.825 1.455 530 H MET 83 H MET 83 -10.715 19.527 -2.622 531 HA MET 83 HA MET 83 -8.911 17.321 -2.503 532 HB2 MET 83 HB2 MET 83 -10.826 15.895 -2.684 533 HB3 MET 83 HB3 MET 83 -11.199 17.258 -1.632 534 HG2 MET 83 HG2 MET 83 -12.400 18.344 -3.547 535 HG3 MET 83 HG3 MET 83 -12.036 16.941 -4.546 536 HE1 MET 83 HE1 MET 83 -13.288 17.111 -0.705 537 HE2 MET 83 HE2 MET 83 -14.138 18.396 -1.597 538 HE3 MET 83 HE3 MET 83 -15.028 16.977 -1.007 539 H ARG 84 H ARG 84 -10.207 18.998 -5.324 540 HA ARG 84 HA ARG 84 -9.257 16.959 -7.220 541 HB2 ARG 84 HB2 ARG 84 -11.201 18.423 -7.766 542 HB3 ARG 84 HB3 ARG 84 -10.117 19.827 -7.774 543 HG2 ARG 84 HG2 ARG 84 -8.776 18.775 -9.587 544 HG3 ARG 84 HG3 ARG 84 -9.848 17.373 -9.588 545 HD2 ARG 84 HD2 ARG 84 -10.761 20.227 -10.134 546 HD3 ARG 84 HD3 ARG 84 -10.184 19.132 -11.391 547 HE ARG 84 HE ARG 84 -12.121 17.578 -10.403 548 HH11 ARG 84 HH11 ARG 84 -12.318 21.033 -11.190 549 HH12 ARG 84 HH12 ARG 84 -14.032 20.895 -11.419 550 HH21 ARG 84 HH21 ARG 84 -14.241 17.536 -10.911 551 HH22 ARG 84 HH22 ARG 84 -15.021 18.987 -11.527 552 H ARG 85 H ARG 85 -7.974 19.983 -5.787 553 HA ARG 85 HA ARG 85 -5.490 19.984 -7.299 554 HB2 ARG 85 HB2 ARG 85 -5.736 20.778 -4.346 555 HB3 ARG 85 HB3 ARG 85 -4.466 21.210 -5.464 556 HG2 ARG 85 HG2 ARG 85 -6.146 22.550 -6.772 557 HG3 ARG 85 HG3 ARG 85 -7.324 22.253 -5.492 558 HD2 ARG 85 HD2 ARG 85 -4.706 23.798 -5.330 559 HD3 ARG 85 HD3 ARG 85 -6.310 24.472 -5.173 560 HE ARG 85 HE ARG 85 -6.283 22.794 -3.037 561 HH11 ARG 85 HH11 ARG 85 -3.905 25.290 -3.962 562 HH12 ARG 85 HH12 ARG 85 -3.163 25.136 -2.379 563 HH21 ARG 85 HH21 ARG 85 -5.413 23.183 -0.932 564 HH22 ARG 85 HH22 ARG 85 -3.929 24.097 -0.874 565 H PHE 86 H PHE 86 -6.271 18.443 -4.138 566 HA PHE 86 HA PHE 86 -3.810 17.095 -3.829 567 HB2 PHE 86 HB2 PHE 86 -6.517 16.049 -2.942 568 HB3 PHE 86 HB3 PHE 86 -4.962 15.686 -2.225 569 HD1 PHE 86 HD2 PHE 86 -4.365 19.008 -2.406 570 HD2 PHE 86 HD1 PHE 86 -7.221 16.325 -0.593 571 HE1 PHE 86 HE2 PHE 86 -4.853 20.691 -0.655 572 HE2 PHE 86 HE1 PHE 86 -7.649 17.994 1.191 573 HZ PHE 86 HZ PHE 86 -6.477 20.194 1.147 574 H LEU 87 H LEU 87 -6.791 15.886 -5.402 575 HA LEU 87 HA LEU 87 -5.846 13.277 -6.033 576 HB2 LEU 87 HB2 LEU 87 -8.186 13.914 -5.897 577 HB3 LEU 87 HB3 LEU 87 -8.020 15.052 -7.219 578 HG LEU 87 HG LEU 87 -9.257 12.947 -7.689 579 HD11 LEU 87 HD11 LEU 87 -6.875 13.191 -9.554 580 HD12 LEU 87 HD12 LEU 87 -8.233 14.347 -9.511 581 HD13 LEU 87 HD13 LEU 87 -8.509 12.651 -9.911 582 HD21 LEU 87 HD21 LEU 87 -7.742 11.399 -6.449 583 HD22 LEU 87 HD22 LEU 87 -6.544 11.583 -7.749 584 HD23 LEU 87 HD23 LEU 87 -8.133 10.872 -8.090 585 H GLN 88 H GLN 88 -5.995 16.232 -8.131 586 HA GLN 88 HA GLN 88 -4.776 14.718 -10.278 587 HB2 GLN 88 HB2 GLN 88 -5.249 16.445 -11.680 588 HB3 GLN 88 HB3 GLN 88 -6.546 16.500 -10.513 589 HG2 GLN 88 HG2 GLN 88 -6.122 18.666 -10.300 590 HG3 GLN 88 HG3 GLN 88 -4.628 18.285 -9.456 591 HE21 GLN 88 HE21 GLN 88 -2.795 17.533 -11.358 592 HE22 GLN 88 HE22 GLN 88 -2.613 18.905 -12.444 593 H CYS 89 H CYS 89 -3.346 16.575 -7.675 594 HA CYS 89 HA CYS 89 -0.723 16.598 -9.012 595 HB2 CYS 89 2HB CYS 89 -1.420 16.816 -6.063 596 HB3 CYS 89 3HB CYS 89 0.157 17.078 -6.796 597 H ALA 90 H ALA 90 -2.426 14.413 -6.684 598 HA ALA 90 HA ALA 90 -0.316 12.536 -6.390 599 HB1 ALA 90 HB1 ALA 90 -2.175 12.639 -4.859 600 HB2 ALA 90 HB2 ALA 90 -3.347 12.338 -6.151 601 HB3 ALA 90 HB3 ALA 90 -2.251 11.049 -5.660 602 H GLU 91 H GLU 91 -2.935 12.616 -8.839 603 HA GLU 91 HA GLU 91 -2.188 10.132 -10.095 604 HB2 GLU 91 HB2 GLU 91 -4.418 11.197 -10.172 605 HB3 GLU 91 HB3 GLU 91 -3.778 12.490 -11.194 606 HG2 GLU 91 HG2 GLU 91 -3.392 10.975 -13.022 607 HG3 GLU 91 HG3 GLU 91 -3.577 9.556 -11.977 608 H GLN 92 H GLN 92 -0.688 13.227 -10.238 609 HA GLN 92 HA GLN 92 0.562 12.684 -12.887 610 HB2 GLN 92 HB2 GLN 92 -0.813 14.790 -12.344 611 HB3 GLN 92 HB3 GLN 92 0.513 15.265 -11.309 612 HG2 GLN 92 HG2 GLN 92 1.005 16.373 -13.282 613 HG3 GLN 92 HG3 GLN 92 2.020 14.958 -13.437 614 HE21 GLN 92 HE21 GLN 92 1.779 15.928 -15.771 615 HE22 GLN 92 HE22 GLN 92 0.479 15.213 -16.742 616 H VAL 93 H VAL 93 1.429 13.252 -9.464 617 HA VAL 93 HA VAL 93 4.321 13.159 -10.214 618 HB VAL 93 HB VAL 93 3.195 14.781 -7.922 619 HG11 VAL 93 HG11 VAL 93 5.645 14.297 -7.987 620 HG12 VAL 93 HG12 VAL 93 5.711 15.001 -9.624 621 HG13 VAL 93 HG13 VAL 93 5.295 16.017 -8.234 622 HG21 VAL 93 HG21 VAL 93 2.092 15.762 -9.825 623 HG22 VAL 93 HG22 VAL 93 3.471 16.780 -9.447 624 HG23 VAL 93 HG23 VAL 93 3.570 15.660 -10.818 Start of MODEL 16 1 H TYR 11 H TYR 11 0.585 12.961 3.326 2 HA TYR 11 HA TYR 11 1.742 10.573 2.131 3 HB2 TYR 11 HB2 TYR 11 -1.182 11.195 2.569 4 HB3 TYR 11 HB3 TYR 11 -0.446 9.615 2.321 5 HD1 TYR 11 HD2 TYR 11 1.880 9.691 4.210 6 HD2 TYR 11 HD1 TYR 11 -2.224 10.936 4.655 7 HE1 TYR 11 HE2 TYR 11 2.030 9.310 6.662 8 HE2 TYR 11 HE1 TYR 11 -2.085 10.498 7.115 9 HH TYR 11 HH TYR 11 0.859 9.185 8.650 10 H CYS 12 H CYS 12 1.031 9.478 0.196 11 HA CYS 12 HA CYS 12 0.645 11.442 -2.042 12 HB2 CYS 12 2HB CYS 12 1.801 8.635 -1.991 13 HB3 CYS 12 3HB CYS 12 1.506 9.570 -3.451 14 H GLY 13 H GLY 13 -0.947 11.252 -3.613 15 HA2 GLY 13 HA2 GLY 13 -3.342 9.830 -3.292 16 HA3 GLY 13 HA3 GLY 13 -2.702 10.399 -4.843 17 H ARG 14 H ARG 14 -0.412 8.742 -5.013 18 HA ARG 14 HA ARG 14 -1.060 6.153 -5.914 19 HB2 ARG 14 HB2 ARG 14 1.211 7.481 -5.941 20 HB3 ARG 14 HB3 ARG 14 1.435 6.922 -4.316 21 HG2 ARG 14 HG2 ARG 14 1.154 4.524 -5.421 22 HG3 ARG 14 HG3 ARG 14 1.451 5.366 -6.918 23 HD2 ARG 14 HD2 ARG 14 3.277 5.708 -4.492 24 HD3 ARG 14 HD3 ARG 14 3.470 4.355 -5.591 25 HE ARG 14 HE ARG 14 3.761 7.251 -6.419 26 HH11 ARG 14 HH11 ARG 14 4.446 3.934 -7.316 27 HH12 ARG 14 HH12 ARG 14 5.825 4.429 -8.257 28 HH21 ARG 14 HH21 ARG 14 5.551 7.732 -7.517 29 HH22 ARG 14 HH22 ARG 14 6.413 6.518 -8.428 30 H GLU 15 H GLU 15 -0.425 7.217 -2.614 31 HA GLU 15 HA GLU 15 0.116 4.627 -1.517 32 HB2 GLU 15 HB2 GLU 15 0.792 7.079 -0.810 33 HB3 GLU 15 HB3 GLU 15 -0.751 7.085 0.052 34 HG2 GLU 15 HG2 GLU 15 0.074 5.096 1.347 35 HG3 GLU 15 HG3 GLU 15 1.638 5.308 0.543 36 H LEU 16 H LEU 16 -2.650 6.831 -1.448 37 HA LEU 16 HA LEU 16 -4.364 5.234 0.168 38 HB2 LEU 16 HB2 LEU 16 -5.095 7.396 -1.847 39 HB3 LEU 16 HB3 LEU 16 -6.086 6.851 -0.496 40 HG LEU 16 HG LEU 16 -3.431 8.343 -0.291 41 HD11 LEU 16 HD11 LEU 16 -4.797 10.175 0.572 42 HD12 LEU 16 HD12 LEU 16 -6.268 9.203 0.359 43 HD13 LEU 16 HD13 LEU 16 -5.320 9.717 -1.056 44 HD21 LEU 16 HD21 LEU 16 -3.927 8.530 2.124 45 HD22 LEU 16 HD22 LEU 16 -3.667 6.846 1.650 46 HD23 LEU 16 HD23 LEU 16 -5.319 7.448 1.920 47 H GLU 17 H GLU 17 -3.825 5.154 -3.329 48 HA GLU 17 HA GLU 17 -6.224 3.560 -3.900 49 HB2 GLU 17 HB2 GLU 17 -3.735 4.195 -5.537 50 HB3 GLU 17 HB3 GLU 17 -5.056 3.162 -6.097 51 HG2 GLU 17 HG2 GLU 17 -6.635 5.118 -5.632 52 HG3 GLU 17 HG3 GLU 17 -5.193 6.122 -5.449 53 H GLN 18 H GLN 18 -2.743 2.784 -3.433 54 HA GLN 18 HA GLN 18 -3.226 -0.058 -3.970 55 HB2 GLN 18 HB2 GLN 18 -0.766 1.341 -2.858 56 HB3 GLN 18 HB3 GLN 18 -0.841 -0.336 -3.375 57 HG2 GLN 18 HG2 GLN 18 -1.062 2.136 -5.124 58 HG3 GLN 18 HG3 GLN 18 0.261 0.977 -5.061 59 HE21 GLN 18 HE21 GLN 18 -1.776 -1.436 -5.112 60 HE22 GLN 18 HE22 GLN 18 -2.209 -1.411 -6.810 61 H TYR 19 H TYR 19 -2.686 1.911 -1.015 62 HA TYR 19 HA TYR 19 -2.746 -0.219 0.885 63 HB2 TYR 19 HB2 TYR 19 -2.085 2.111 1.353 64 HB3 TYR 19 HB3 TYR 19 -3.726 2.657 1.052 65 HD1 TYR 19 HD1 TYR 19 -1.626 0.560 3.347 66 HD2 TYR 19 HD2 TYR 19 -5.330 2.715 2.804 67 HE1 TYR 19 HE1 TYR 19 -2.117 0.358 5.788 68 HE2 TYR 19 HE2 TYR 19 -5.802 2.513 5.226 69 HH TYR 19 HH TYR 19 -5.107 1.698 7.238 70 H GLY 20 H GLY 20 -5.403 1.628 -0.674 71 HA2 GLY 20 HA2 GLY 20 -7.635 0.496 0.591 72 HA3 GLY 20 HA3 GLY 20 -7.591 1.081 -1.077 73 H GLN 21 H GLN 21 -6.120 -0.722 -2.501 74 HA GLN 21 HA GLN 21 -7.836 -2.987 -2.736 75 HB2 GLN 21 HB2 GLN 21 -4.985 -2.415 -3.671 76 HB3 GLN 21 HB3 GLN 21 -5.689 -3.993 -3.975 77 HG2 GLN 21 HG2 GLN 21 -6.897 -1.344 -4.937 78 HG3 GLN 21 HG3 GLN 21 -5.829 -2.370 -5.887 79 HE21 GLN 21 HE21 GLN 21 -7.531 -2.583 -7.522 80 HE22 GLN 21 HE22 GLN 21 -8.852 -3.699 -7.213 81 H CYS 22 H CYS 22 -4.795 -2.703 -0.954 82 HA CYS 22 HA CYS 22 -4.693 -5.533 -0.337 83 HB2 CYS 22 2HB CYS 22 -3.205 -3.068 0.608 84 HB3 CYS 22 3HB CYS 22 -2.893 -4.681 1.249 85 H VAL 23 H VAL 23 -5.634 -2.638 1.632 86 HA VAL 23 HA VAL 23 -6.295 -4.248 3.941 87 HB VAL 23 HB VAL 23 -6.895 -1.354 3.254 88 HG11 VAL 23 HG11 VAL 23 -7.291 -2.828 5.897 89 HG12 VAL 23 HG12 VAL 23 -7.323 -1.060 5.691 90 HG13 VAL 23 HG13 VAL 23 -8.552 -2.049 4.914 91 HG21 VAL 23 HG21 VAL 23 -4.856 -2.699 5.100 92 HG22 VAL 23 HG22 VAL 23 -4.491 -1.884 3.563 93 HG23 VAL 23 HG23 VAL 23 -5.097 -0.950 4.926 94 H ALA 24 H ALA 24 -8.278 -3.125 1.164 95 HA ALA 24 HA ALA 24 -10.754 -3.976 2.367 96 HB1 ALA 24 HB1 ALA 24 -10.632 -2.352 0.504 97 HB2 ALA 24 HB2 ALA 24 -10.004 -3.628 -0.569 98 HB3 ALA 24 HB3 ALA 24 -11.651 -3.742 0.088 99 H ALA 25 H ALA 25 -8.159 -5.778 0.852 100 HA ALA 25 HA ALA 25 -9.801 -8.211 0.587 101 HB1 ALA 25 HB1 ALA 25 -7.706 -9.232 -0.124 102 HB2 ALA 25 HB2 ALA 25 -8.003 -7.724 -1.017 103 HB3 ALA 25 HB3 ALA 25 -6.803 -7.759 0.287 104 H LYS 26 H LYS 26 -7.027 -7.189 2.650 105 HA LYS 26 HA LYS 26 -8.239 -8.336 5.040 106 HB2 LYS 26 HB2 LYS 26 -5.562 -9.460 4.099 107 HB3 LYS 26 HB3 LYS 26 -6.231 -9.642 5.707 108 HG2 LYS 26 HG2 LYS 26 -8.142 -10.928 4.767 109 HG3 LYS 26 HG3 LYS 26 -7.390 -10.814 3.161 110 HD2 LYS 26 HD2 LYS 26 -5.404 -11.975 3.928 111 HD3 LYS 26 HD3 LYS 26 -6.001 -12.036 5.591 112 HE2 LYS 26 HE2 LYS 26 -7.505 -13.302 3.259 113 HE3 LYS 26 HE3 LYS 26 -6.236 -14.152 4.137 114 HZ1 LYS 26 HZ1 LYS 26 -8.743 -13.154 5.364 115 HZ2 LYS 26 HZ2 LYS 26 -7.494 -13.843 6.183 116 HZ3 LYS 26 HZ3 LYS 26 -8.312 -14.717 5.076 117 HA PRO 27 HA PRO 27 -5.630 -5.041 6.909 118 HB2 PRO 27 HB2 PRO 27 -5.698 -7.028 9.198 119 HB3 PRO 27 HB3 PRO 27 -5.819 -5.239 9.260 120 HG2 PRO 27 HG2 PRO 27 -8.070 -6.698 9.445 121 HG3 PRO 27 HG3 PRO 27 -8.026 -5.290 8.332 122 HD2 PRO 27 HD2 PRO 27 -7.674 -8.226 7.637 123 HD3 PRO 27 HD3 PRO 27 -8.698 -6.993 6.838 124 H GLU 28 H GLU 28 -4.864 -8.527 7.173 125 HA GLU 28 HA GLU 28 -2.005 -8.306 7.420 126 HB2 GLU 28 HB2 GLU 28 -3.709 -10.551 6.241 127 HB3 GLU 28 HB3 GLU 28 -2.054 -10.676 6.828 128 HG2 GLU 28 HG2 GLU 28 -2.880 -11.227 8.824 129 HG3 GLU 28 HG3 GLU 28 -3.386 -9.548 9.000 130 H SER 29 H SER 29 -4.034 -7.894 4.641 131 HA SER 29 HA SER 29 -2.077 -8.831 2.724 132 HB2 SER 29 HB2 SER 29 -4.863 -7.918 2.692 133 HB3 SER 29 HB3 SER 29 -3.938 -7.562 1.213 134 HG SER 29 HG SER 29 -4.327 -9.566 0.754 135 H TRP 30 H TRP 30 -2.422 -5.847 4.358 136 HA TRP 30 HA TRP 30 -1.138 -4.094 2.460 137 HB2 TRP 30 HB2 TRP 30 -2.218 -3.375 4.551 138 HB3 TRP 30 HB3 TRP 30 -1.014 -4.242 5.488 139 HD1 TRP 30 HD1 TRP 30 0.290 -2.127 2.592 140 HE1 TRP 30 HE1 TRP 30 1.419 0.008 3.520 141 HE3 TRP 30 HE3 TRP 30 -0.991 -2.585 7.538 142 HZ2 TRP 30 HZ2 TRP 30 1.733 1.308 6.043 143 HZ3 TRP 30 HZ3 TRP 30 -0.273 -0.865 9.178 144 HH2 TRP 30 HH2 TRP 30 1.083 1.075 8.449 145 H GLN 31 H GLN 31 0.208 -6.495 4.776 146 HA GLN 31 HA GLN 31 2.904 -6.143 3.652 147 HB2 GLN 31 HB2 GLN 31 2.514 -6.550 6.063 148 HB3 GLN 31 HB3 GLN 31 1.795 -8.107 5.689 149 HG2 GLN 31 HG2 GLN 31 4.085 -8.404 6.453 150 HG3 GLN 31 HG3 GLN 31 3.966 -8.902 4.777 151 HE21 GLN 31 HE21 GLN 31 6.371 -8.616 4.697 152 HE22 GLN 31 HE22 GLN 31 7.028 -6.981 4.747 153 H ARG 32 H ARG 32 0.208 -8.447 3.250 154 HA ARG 32 HA ARG 32 1.866 -10.368 1.836 155 HB2 ARG 32 HB2 ARG 32 -0.202 -10.841 3.298 156 HB3 ARG 32 HB3 ARG 32 -1.139 -10.412 1.859 157 HG2 ARG 32 HG2 ARG 32 0.256 -12.177 0.591 158 HG3 ARG 32 HG3 ARG 32 0.862 -12.666 2.179 159 HD2 ARG 32 HD2 ARG 32 -0.998 -14.085 1.610 160 HD3 ARG 32 HD3 ARG 32 -1.528 -12.996 2.906 161 HE ARG 32 HE ARG 32 -2.123 -11.927 0.244 162 HH11 ARG 32 HH11 ARG 32 -3.379 -14.244 2.579 163 HH12 ARG 32 HH12 ARG 32 -4.964 -14.192 1.840 164 HH21 ARG 32 HH21 ARG 32 -4.114 -11.730 -0.421 165 HH22 ARG 32 HH22 ARG 32 -5.423 -12.691 0.272 166 H ASP 33 H ASP 33 -0.699 -8.181 0.626 167 HA ASP 33 HA ASP 33 -0.475 -9.379 -2.075 168 HB2 ASP 33 HB2 ASP 33 -2.524 -7.630 -0.690 169 HB3 ASP 33 HB3 ASP 33 -2.607 -7.915 -2.413 170 H CYS 34 H CYS 34 0.547 -6.451 -0.476 171 HA CYS 34 HA CYS 34 1.731 -5.590 -3.088 172 HB2 CYS 34 2HB CYS 34 1.317 -3.217 -2.165 173 HB3 CYS 34 3HB CYS 34 -0.024 -4.073 -2.903 174 H HIS 35 H HIS 35 3.632 -6.790 -2.268 175 HA HIS 35 HA HIS 35 4.824 -5.890 0.235 176 HB2 HIS 35 2HB HIS 35 4.861 -8.226 -0.452 177 HB3 HIS 35 3HB HIS 35 5.796 -7.825 -1.893 178 HD1 HIS 35 1HD HIS 35 6.300 -7.550 1.988 179 HD2 HIS 35 2HD HIS 35 8.361 -8.080 -1.644 180 HE1 HIS 35 1HE HIS 35 8.726 -8.025 2.601 181 H TYR 36 H TYR 36 5.994 -5.705 -3.183 182 HA TYR 36 HA TYR 36 8.026 -3.700 -2.420 183 HB2 TYR 36 HB2 TYR 36 7.203 -4.770 -5.145 184 HB3 TYR 36 HB3 TYR 36 8.575 -3.715 -4.821 185 HD1 TYR 36 HD2 TYR 36 10.175 -4.608 -2.809 186 HD2 TYR 36 HD1 TYR 36 7.713 -7.068 -5.372 187 HE1 TYR 36 HE2 TYR 36 11.549 -6.586 -2.233 188 HE2 TYR 36 HE1 TYR 36 9.123 -9.048 -4.803 189 HH TYR 36 HH TYR 36 11.815 -8.807 -2.438 190 H LEU 37 H LEU 37 4.753 -3.767 -3.618 191 HA LEU 37 HA LEU 37 4.601 -1.004 -4.418 192 HB2 LEU 37 HB2 LEU 37 2.705 -3.229 -3.876 193 HB3 LEU 37 HB3 LEU 37 2.071 -1.598 -3.617 194 HG LEU 37 HG LEU 37 2.669 -0.946 -5.895 195 HD11 LEU 37 HD11 LEU 37 4.601 -2.421 -6.354 196 HD12 LEU 37 HD12 LEU 37 3.337 -2.656 -7.561 197 HD13 LEU 37 HD13 LEU 37 3.544 -3.851 -6.264 198 HD21 LEU 37 HD21 LEU 37 0.473 -1.998 -5.297 199 HD22 LEU 37 HD22 LEU 37 1.112 -3.564 -5.814 200 HD23 LEU 37 HD23 LEU 37 0.930 -2.241 -6.989 201 H LYS 38 H LYS 38 3.956 -2.545 -1.179 202 HA LYS 38 HA LYS 38 3.327 -0.201 0.272 203 HB2 LYS 38 HB2 LYS 38 3.057 -2.409 1.180 204 HB3 LYS 38 HB3 LYS 38 4.784 -2.754 1.046 205 HG2 LYS 38 HG2 LYS 38 5.262 -1.104 2.812 206 HG3 LYS 38 HG3 LYS 38 3.542 -0.691 2.912 207 HD2 LYS 38 HD2 LYS 38 2.991 -2.970 3.645 208 HD3 LYS 38 HD3 LYS 38 4.671 -3.486 3.403 209 HE2 LYS 38 HE2 LYS 38 5.416 -1.882 5.131 210 HE3 LYS 38 HE3 LYS 38 3.738 -1.386 5.417 211 HZ1 LYS 38 HZ1 LYS 38 3.251 -3.530 6.329 212 HZ2 LYS 38 HZ2 LYS 38 4.716 -3.137 6.953 213 HZ3 LYS 38 HZ3 LYS 38 4.619 -4.208 5.720 214 H MET 39 H MET 39 6.595 -1.567 -0.331 215 HA MET 39 HA MET 39 8.036 0.617 0.785 216 HB2 MET 39 HB2 MET 39 8.905 -1.665 0.194 217 HB3 MET 39 HB3 MET 39 8.914 -1.188 -1.507 218 HG2 MET 39 HG2 MET 39 10.472 0.664 -0.958 219 HG3 MET 39 HG3 MET 39 10.459 0.178 0.739 220 HE1 MET 39 HE1 MET 39 10.660 -3.054 0.637 221 HE2 MET 39 HE2 MET 39 12.421 -3.211 0.720 222 HE3 MET 39 HE3 MET 39 11.598 -1.980 1.703 223 H SER 40 H SER 40 6.929 0.130 -2.610 224 HA SER 40 HA SER 40 8.134 2.445 -3.731 225 HB2 SER 40 HB2 SER 40 5.532 1.095 -4.559 226 HB3 SER 40 HB3 SER 40 6.444 2.261 -5.522 227 HG SER 40 HG SER 40 7.374 -0.287 -4.642 228 H ILE 41 H ILE 41 4.889 2.130 -2.172 229 HA ILE 41 HA ILE 41 4.307 4.960 -2.632 230 HB ILE 41 HB ILE 41 2.383 4.669 -1.235 231 HG12 ILE 41 HG12 ILE 41 3.301 1.824 -0.806 232 HG13 ILE 41 HG13 ILE 41 3.098 3.064 0.413 233 HG21 ILE 41 HG21 ILE 41 1.174 3.040 -2.787 234 HG22 ILE 41 HG22 ILE 41 1.959 4.455 -3.420 235 HG23 ILE 41 HG23 ILE 41 2.743 2.847 -3.584 236 HD11 ILE 41 HD11 ILE 41 0.889 1.646 -1.123 237 HD12 ILE 41 HD12 ILE 41 1.297 1.485 0.579 238 HD13 ILE 41 HD13 ILE 41 0.624 3.012 -0.006 239 H ALA 42 H ALA 42 5.664 3.123 0.147 240 HA ALA 42 HA ALA 42 5.693 5.305 1.965 241 HB1 ALA 42 HB1 ALA 42 7.458 4.016 3.099 242 HB2 ALA 42 HB2 ALA 42 6.112 2.972 2.605 243 HB3 ALA 42 HB3 ALA 42 7.629 2.968 1.678 244 H GLN 43 H GLN 43 8.107 4.374 -0.536 245 HA GLN 43 HA GLN 43 9.926 6.541 -0.015 246 HB2 GLN 43 HB2 GLN 43 9.394 4.819 -2.484 247 HB3 GLN 43 HB3 GLN 43 10.706 5.999 -2.389 248 HG2 GLN 43 HG2 GLN 43 11.741 4.810 -0.528 249 HG3 GLN 43 HG3 GLN 43 10.416 3.663 -0.446 250 HE21 GLN 43 HE21 GLN 43 12.619 2.318 -0.617 251 HE22 GLN 43 HE22 GLN 43 13.046 1.847 -2.268 252 H CYS 44 H CYS 44 6.947 6.451 -2.003 253 HA CYS 44 HA CYS 44 7.316 8.963 -3.308 254 HB2 CYS 44 2HB CYS 44 5.560 7.396 -3.935 255 HB3 CYS 44 3HB CYS 44 4.737 7.620 -2.392 256 H THR 45 H THR 45 5.536 8.282 -0.229 257 HA THR 45 HA THR 45 5.287 11.091 0.386 258 HB THR 45 HB THR 45 3.639 9.677 1.227 259 HG1 THR 45 HG1 THR 45 4.184 11.350 2.561 260 HG21 THR 45 HG21 THR 45 3.899 7.979 2.875 261 HG22 THR 45 HG22 THR 45 5.678 8.177 2.905 262 HG23 THR 45 HG23 THR 45 4.841 7.540 1.469 263 H SER 46 H SER 46 7.847 8.769 1.115 264 HA SER 46 HA SER 46 9.313 10.369 2.956 265 HB2 SER 46 HB2 SER 46 9.649 7.917 2.333 266 HB3 SER 46 HB3 SER 46 10.564 8.509 0.932 267 HG SER 46 HG SER 46 11.029 9.044 3.695 268 H SER 47 H SER 47 8.840 10.870 -0.460 269 HA SER 47 HA SER 47 11.334 12.360 -0.838 270 HB2 SER 47 HB2 SER 47 9.025 11.876 -2.747 271 HB3 SER 47 HB3 SER 47 10.595 12.586 -3.153 272 HG SER 47 HG SER 47 10.080 9.941 -2.202 273 H HIS 48 H HIS 48 8.299 13.239 0.316 274 HA HIS 48 HA HIS 48 7.246 15.067 0.888 275 HB2 HIS 48 2HB HIS 48 10.073 16.125 0.952 276 HB3 HIS 48 3HB HIS 48 8.719 17.047 1.571 277 HD1 HIS 48 1HD HIS 48 11.048 14.348 2.580 278 HD2 HIS 48 2HD HIS 48 7.282 15.846 3.687 279 HE1 HIS 48 1HE HIS 48 10.558 13.413 4.916 280 HA PRO 49 HA PRO 49 6.046 18.031 -2.252 281 HB2 PRO 49 HB2 PRO 49 5.032 20.082 -0.720 282 HB3 PRO 49 HB3 PRO 49 4.192 18.533 -0.991 283 HG2 PRO 49 HG2 PRO 49 5.927 19.313 1.370 284 HG3 PRO 49 HG3 PRO 49 4.284 18.588 1.389 285 HD2 PRO 49 HD2 PRO 49 6.477 17.060 1.694 286 HD3 PRO 49 HD3 PRO 49 5.108 16.479 0.704 287 H ILE 50 H ILE 50 6.412 20.324 -2.869 288 HA ILE 50 HA ILE 50 9.092 20.679 -3.294 289 HB ILE 50 HB ILE 50 7.179 21.481 -4.629 290 HG12 ILE 50 HG12 ILE 50 9.211 23.693 -4.152 291 HG13 ILE 50 HG13 ILE 50 9.538 22.200 -5.041 292 HG21 ILE 50 HG21 ILE 50 6.071 23.571 -4.196 293 HG22 ILE 50 HG22 ILE 50 5.906 22.588 -2.752 294 HG23 ILE 50 HG23 ILE 50 7.098 23.910 -2.784 295 HD11 ILE 50 HD11 ILE 50 7.693 22.766 -6.635 296 HD12 ILE 50 HD12 ILE 50 7.501 24.333 -5.809 297 HD13 ILE 50 HD13 ILE 50 9.014 23.945 -6.636 298 H ILE 51 H ILE 51 7.413 22.042 -0.506 299 HA ILE 51 HA ILE 51 9.289 24.054 0.161 300 HB ILE 51 HB ILE 51 7.005 23.743 1.118 301 HG12 ILE 51 HG12 ILE 51 9.078 24.066 3.315 302 HG13 ILE 51 HG13 ILE 51 8.880 25.249 2.019 303 HG21 ILE 51 HG21 ILE 51 8.326 21.728 3.002 304 HG22 ILE 51 HG22 ILE 51 6.654 22.298 3.053 305 HG23 ILE 51 HG23 ILE 51 7.195 21.314 1.695 306 HD11 ILE 51 HD11 ILE 51 6.695 24.433 3.965 307 HD12 ILE 51 HD12 ILE 51 7.639 25.935 4.000 308 HD13 ILE 51 HD13 ILE 51 6.543 25.619 2.644 309 H ARG 52 H ARG 52 9.785 20.651 0.235 310 HA ARG 52 HA ARG 52 11.925 20.232 2.017 311 HB2 ARG 52 HB2 ARG 52 10.872 18.603 0.401 312 HB3 ARG 52 HB3 ARG 52 11.723 19.420 -0.911 313 HG2 ARG 52 HG2 ARG 52 13.912 18.798 0.249 314 HG3 ARG 52 HG3 ARG 52 12.954 17.898 1.435 315 HD2 ARG 52 HD2 ARG 52 13.821 16.354 -0.196 316 HD3 ARG 52 HD3 ARG 52 12.079 16.463 -0.418 317 HE ARG 52 HE ARG 52 14.204 17.699 -2.163 318 HH11 ARG 52 HH11 ARG 52 10.881 16.499 -2.040 319 HH12 ARG 52 HH12 ARG 52 10.473 17.333 -3.516 320 HH21 ARG 52 HH21 ARG 52 13.631 18.561 -4.068 321 HH22 ARG 52 HH22 ARG 52 11.991 18.397 -4.665 322 H GLN 53 H GLN 53 11.937 22.143 -1.001 323 HA GLN 53 HA GLN 53 14.748 22.628 -1.187 324 HB2 GLN 53 HB2 GLN 53 13.080 22.908 -2.972 325 HB3 GLN 53 HB3 GLN 53 12.350 24.270 -2.136 326 HG2 GLN 53 HG2 GLN 53 15.285 24.285 -2.966 327 HG3 GLN 53 HG3 GLN 53 14.007 24.654 -4.111 328 HE21 GLN 53 HE21 GLN 53 15.760 26.577 -3.885 329 HE22 GLN 53 HE22 GLN 53 15.265 27.881 -2.807 330 H ILE 54 H ILE 54 12.233 24.278 0.718 331 HA ILE 54 HA ILE 54 14.041 26.436 1.595 332 HB ILE 54 HB ILE 54 11.205 25.765 2.480 333 HG12 ILE 54 HG12 ILE 54 12.223 27.721 0.373 334 HG13 ILE 54 HG13 ILE 54 11.209 26.304 0.098 335 HG21 ILE 54 HG21 ILE 54 11.185 28.050 3.406 336 HG22 ILE 54 HG22 ILE 54 12.450 27.114 4.151 337 HG23 ILE 54 HG23 ILE 54 12.865 28.292 2.882 338 HD11 ILE 54 HD11 ILE 54 10.395 28.890 1.473 339 HD12 ILE 54 HD12 ILE 54 9.833 28.249 -0.069 340 HD13 ILE 54 HD13 ILE 54 9.384 27.425 1.437 341 H ARG 55 H ARG 55 12.653 23.425 2.915 342 HA ARG 55 HA ARG 55 13.820 23.743 5.560 343 HB2 ARG 55 HB2 ARG 55 13.065 21.161 4.125 344 HB3 ARG 55 HB3 ARG 55 13.355 21.358 5.841 345 HG2 ARG 55 HG2 ARG 55 10.987 22.240 4.207 346 HG3 ARG 55 HG3 ARG 55 11.038 21.277 5.671 347 HD2 ARG 55 HD2 ARG 55 11.663 23.380 6.948 348 HD3 ARG 55 HD3 ARG 55 11.439 24.294 5.445 349 HE ARG 55 HE ARG 55 9.164 22.592 6.132 350 HH11 ARG 55 HH11 ARG 55 10.387 25.857 6.754 351 HH12 ARG 55 HH12 ARG 55 8.768 26.482 6.894 352 HH21 ARG 55 HH21 ARG 55 7.263 23.385 6.504 353 HH22 ARG 55 HH22 ARG 55 7.022 25.104 6.824 354 H GLN 56 H GLN 56 15.110 22.373 2.573 355 HA GLN 56 HA GLN 56 17.545 21.315 3.548 356 HB2 GLN 56 HB2 GLN 56 16.545 20.951 1.336 357 HB3 GLN 56 HB3 GLN 56 16.832 22.627 0.892 358 HG2 GLN 56 HG2 GLN 56 19.219 22.254 0.780 359 HG3 GLN 56 HG3 GLN 56 19.059 20.676 1.578 360 HE21 GLN 56 HE21 GLN 56 17.941 22.429 -1.385 361 HE22 GLN 56 HE22 GLN 56 17.849 20.961 -2.362 362 H ALA 57 H ALA 57 16.606 24.670 3.252 363 HA ALA 57 HA ALA 57 19.319 25.717 3.201 364 HB1 ALA 57 HB1 ALA 57 17.399 26.740 1.977 365 HB2 ALA 57 HB2 ALA 57 16.695 27.197 3.545 366 HB3 ALA 57 HB3 ALA 57 18.263 27.854 3.047 367 H CYS 58 H CYS 58 17.827 24.250 5.732 368 HA CYS 58 HA CYS 58 17.899 26.036 7.885 369 HB2 CYS 58 2HB CYS 58 18.047 23.975 9.272 370 HB3 CYS 58 3HB CYS 58 16.820 23.916 8.014 371 H ALA 59 H ALA 59 19.353 26.677 9.402 372 HA ALA 59 HA ALA 59 22.263 26.171 8.866 373 HB1 ALA 59 HB1 ALA 59 22.607 28.583 9.152 374 HB2 ALA 59 HB2 ALA 59 21.497 28.251 7.809 375 HB3 ALA 59 HB3 ALA 59 20.863 28.829 9.368 376 H GLN 60 H GLN 60 19.884 27.203 11.399 377 HA GLN 60 HA GLN 60 21.734 27.553 13.483 378 HB2 GLN 60 HB2 GLN 60 18.836 26.640 13.565 379 HB3 GLN 60 HB3 GLN 60 19.794 26.994 15.007 380 HG2 GLN 60 HG2 GLN 60 20.275 29.285 14.081 381 HG3 GLN 60 HG3 GLN 60 19.143 28.955 12.771 382 HE21 GLN 60 HE21 GLN 60 19.361 30.488 15.706 383 HE22 GLN 60 HE22 GLN 60 17.657 30.389 16.170 384 HA PRO 61 HA PRO 61 21.753 22.976 14.722 385 HB2 PRO 61 HB2 PRO 61 21.011 20.974 13.028 386 HB3 PRO 61 HB3 PRO 61 19.838 21.852 14.058 387 HG2 PRO 61 HG2 PRO 61 20.543 22.424 11.154 388 HG3 PRO 61 HG3 PRO 61 18.919 22.183 11.861 389 HD2 PRO 61 HD2 PRO 61 19.879 24.641 11.487 390 HD3 PRO 61 HD3 PRO 61 18.979 24.264 12.983 391 H PHE 62 H PHE 62 22.862 24.214 11.672 392 HA PHE 62 HA PHE 62 25.117 22.286 11.475 393 HB2 PHE 62 HB2 PHE 62 24.336 24.730 9.844 394 HB3 PHE 62 HB3 PHE 62 25.891 23.947 9.707 395 HD1 PHE 62 HD1 PHE 62 22.206 23.210 9.429 396 HD2 PHE 62 HD2 PHE 62 26.213 22.154 8.227 397 HE1 PHE 62 HE1 PHE 62 21.296 21.564 7.809 398 HE2 PHE 62 HE2 PHE 62 25.293 20.535 6.592 399 HZ PHE 62 HZ PHE 62 22.834 20.228 6.388 400 H GLU 63 H GLU 63 24.590 25.767 12.249 401 HA GLU 63 HA GLU 63 27.259 26.353 12.953 402 HB2 GLU 63 HB2 GLU 63 24.670 27.500 14.064 403 HB3 GLU 63 HB3 GLU 63 26.283 28.178 14.344 404 HG2 GLU 63 HG2 GLU 63 26.586 28.432 11.884 405 HG3 GLU 63 HG3 GLU 63 24.916 27.908 11.640 406 H ALA 64 H ALA 64 24.683 25.026 15.100 407 HA ALA 64 HA ALA 64 26.238 25.136 17.484 408 HB1 ALA 64 HB1 ALA 64 23.957 23.264 16.689 409 HB2 ALA 64 HB2 ALA 64 24.529 23.549 18.345 410 HB3 ALA 64 HB3 ALA 64 23.782 24.871 17.432 411 H PHE 65 H PHE 65 26.452 22.831 14.854 412 HA PHE 65 HA PHE 65 28.171 20.984 16.443 413 HB2 PHE 65 HB2 PHE 65 26.709 19.852 15.047 414 HB3 PHE 65 HB3 PHE 65 26.986 20.912 13.655 415 HD1 PHE 65 HD2 PHE 65 28.660 18.404 15.883 416 HD2 PHE 65 HD1 PHE 65 28.764 20.444 12.094 417 HE1 PHE 65 HE2 PHE 65 30.580 16.989 15.169 418 HE2 PHE 65 HE1 PHE 65 30.621 18.975 11.356 419 HZ PHE 65 HZ PHE 65 31.497 17.211 12.879 420 H GLU 66 H GLU 66 28.411 23.262 13.645 421 HA GLU 66 HA GLU 66 31.196 22.706 13.274 422 HB2 GLU 66 HB2 GLU 66 31.043 24.055 11.519 423 HB3 GLU 66 HB3 GLU 66 29.332 23.889 11.801 424 HG2 GLU 66 HG2 GLU 66 29.578 26.194 11.472 425 HG3 GLU 66 HG3 GLU 66 29.566 26.100 13.225 426 H GLU 67 H GLU 67 29.512 24.856 15.480 427 HA GLU 67 HA GLU 67 31.705 26.148 16.729 428 HB2 GLU 67 HB2 GLU 67 29.367 26.717 17.028 429 HB3 GLU 67 HB3 GLU 67 29.046 25.170 17.822 430 HG2 GLU 67 HG2 GLU 67 30.452 25.780 19.707 431 HG3 GLU 67 HG3 GLU 67 31.002 27.247 18.896 432 H CYS 68 H CYS 68 30.377 22.855 17.279 433 HA CYS 68 HA CYS 68 31.922 22.130 19.561 434 HB2 CYS 68 2HB CYS 68 29.987 20.859 18.432 435 HB3 CYS 68 3HB CYS 68 31.167 20.278 17.266 436 H LEU 69 H LEU 69 32.637 21.402 16.117 437 HA LEU 69 HA LEU 69 35.369 20.765 16.400 438 HB2 LEU 69 HB2 LEU 69 34.077 22.003 13.950 439 HB3 LEU 69 HB3 LEU 69 35.493 20.965 14.008 440 HG LEU 69 HG LEU 69 32.588 20.159 14.390 441 HD11 LEU 69 HD11 LEU 69 33.081 18.829 12.344 442 HD12 LEU 69 HD12 LEU 69 34.728 19.454 12.334 443 HD13 LEU 69 HD13 LEU 69 33.357 20.556 12.078 444 HD21 LEU 69 HD21 LEU 69 33.395 17.817 14.537 445 HD22 LEU 69 HD22 LEU 69 33.895 18.779 15.925 446 HD23 LEU 69 HD23 LEU 69 35.072 18.404 14.640 447 H ARG 70 H ARG 70 33.956 23.925 16.498 448 HA ARG 70 HA ARG 70 36.432 25.313 15.664 449 HB2 ARG 70 HB2 ARG 70 34.175 26.094 15.004 450 HB3 ARG 70 HB3 ARG 70 33.800 26.374 16.707 451 HG2 ARG 70 HG2 ARG 70 35.630 28.106 16.747 452 HG3 ARG 70 HG3 ARG 70 35.936 27.756 15.040 453 HD2 ARG 70 HD2 ARG 70 34.566 29.677 15.056 454 HD3 ARG 70 HD3 ARG 70 33.521 28.356 14.552 455 HE ARG 70 HE ARG 70 33.613 29.570 17.307 456 HH11 ARG 70 HH11 ARG 70 31.501 28.186 14.747 457 HH12 ARG 70 HH12 ARG 70 30.098 28.561 15.738 458 HH21 ARG 70 HH21 ARG 70 31.727 29.751 18.425 459 HH22 ARG 70 HH22 ARG 70 30.203 29.476 17.608 460 H GLN 71 H GLN 71 34.464 25.201 18.658 461 HA GLN 71 HA GLN 71 36.754 26.420 20.155 462 HB2 GLN 71 HB2 GLN 71 33.745 26.521 20.572 463 HB3 GLN 71 HB3 GLN 71 34.922 27.122 21.745 464 HG2 GLN 71 HG2 GLN 71 35.848 28.683 20.049 465 HG3 GLN 71 HG3 GLN 71 34.637 28.122 18.886 466 HE21 GLN 71 HE21 GLN 71 34.909 29.651 22.166 467 HE22 GLN 71 HE22 GLN 71 33.360 30.464 22.050 468 H ASN 72 H ASN 72 34.905 23.453 20.099 469 HA ASN 72 HA ASN 72 36.409 22.582 22.506 470 HB2 ASN 72 HB2 ASN 72 33.517 21.918 21.969 471 HB3 ASN 72 HB3 ASN 72 34.495 21.245 23.254 472 HD21 ASN 72 HD21 ASN 72 35.430 22.770 24.870 473 HD22 ASN 72 HD22 ASN 72 34.417 24.147 25.309 474 H GLU 73 H GLU 73 37.202 22.367 19.835 475 HA GLU 73 HA GLU 73 36.509 20.058 18.419 476 HB2 GLU 73 HB2 GLU 73 37.842 22.048 17.689 477 HB3 GLU 73 HB3 GLU 73 39.194 21.473 18.633 478 HG2 GLU 73 HG2 GLU 73 39.452 19.505 17.217 479 HG3 GLU 73 HG3 GLU 73 37.975 19.913 16.342 480 H ALA 74 H ALA 74 38.537 20.430 21.238 481 HA ALA 74 HA ALA 74 39.949 17.899 21.212 482 HB1 ALA 74 HB1 ALA 74 40.699 20.079 22.222 483 HB2 ALA 74 HB2 ALA 74 39.386 19.913 23.418 484 HB3 ALA 74 HB3 ALA 74 40.716 18.724 23.376 485 H ALA 75 H ALA 75 36.682 18.483 21.711 486 HA ALA 75 HA ALA 75 36.319 16.177 23.561 487 HB1 ALA 75 HB1 ALA 75 34.800 17.530 24.902 488 HB2 ALA 75 HB2 ALA 75 36.345 18.366 24.778 489 HB3 ALA 75 HB3 ALA 75 34.970 18.902 23.786 490 H VAL 76 H VAL 76 36.068 16.218 20.718 491 HA VAL 76 HA VAL 76 33.359 16.672 19.859 492 HB VAL 76 HB VAL 76 35.859 15.594 18.557 493 HG11 VAL 76 HG11 VAL 76 34.767 15.773 16.339 494 HG12 VAL 76 HG12 VAL 76 34.115 14.440 17.291 495 HG13 VAL 76 HG13 VAL 76 33.187 15.938 17.129 496 HG21 VAL 76 HG21 VAL 76 35.584 18.036 19.108 497 HG22 VAL 76 HG22 VAL 76 35.752 17.726 17.372 498 HG23 VAL 76 HG23 VAL 76 34.155 18.079 18.081 499 H GLY 77 H GLY 77 34.693 13.828 21.337 500 HA2 GLY 77 HA2 GLY 77 33.291 11.726 20.257 501 HA3 GLY 77 HA3 GLY 77 33.559 11.925 21.988 502 H ASN 78 H ASN 78 31.695 14.425 21.709 503 HA ASN 78 HA ASN 78 29.115 13.021 22.156 504 HB2 ASN 78 HB2 ASN 78 30.145 15.837 22.719 505 HB3 ASN 78 HB3 ASN 78 28.462 15.384 22.883 506 HD21 ASN 78 HD21 ASN 78 29.011 16.265 25.034 507 HD22 ASN 78 HD22 ASN 78 29.560 15.116 26.265 508 H CYS 79 H CYS 79 30.603 14.641 19.461 509 HA CYS 79 HA CYS 79 27.959 15.392 18.315 510 HB2 CYS 79 2HB CYS 79 28.698 17.599 17.863 511 HB3 CYS 79 3HB CYS 79 29.062 17.283 19.543 512 H ALA 80 H ALA 80 27.838 15.420 15.982 513 HA ALA 80 HA ALA 80 30.205 14.710 14.393 514 HB1 ALA 80 HB1 ALA 80 29.577 12.540 15.315 515 HB2 ALA 80 HB2 ALA 80 27.923 12.716 14.683 516 HB3 ALA 80 HB3 ALA 80 29.314 12.584 13.573 517 H GLU 81 H GLU 81 29.593 14.356 11.979 518 HA GLU 81 HA GLU 81 27.661 16.497 11.375 519 HB2 GLU 81 HB2 GLU 81 28.711 16.624 9.169 520 HB3 GLU 81 HB3 GLU 81 29.812 16.955 10.481 521 HG2 GLU 81 HG2 GLU 81 29.780 14.182 9.259 522 HG3 GLU 81 HG3 GLU 81 30.554 15.513 8.429 523 H HIS 82 H HIS 82 28.185 13.398 9.589 524 HA HIS 82 HA HIS 82 26.284 14.632 7.939 525 HB2 HIS 82 2HB HIS 82 28.282 13.187 7.255 526 HB3 HIS 82 3HB HIS 82 27.261 11.775 7.569 527 HD1 HIS 82 1HD HIS 82 27.160 15.003 5.424 528 HD2 HIS 82 2HD HIS 82 25.698 11.065 5.543 529 HE1 HIS 82 1HE HIS 82 25.736 14.707 3.322 530 H MET 83 H MET 83 25.728 12.171 10.290 531 HA MET 83 HA MET 83 22.900 11.862 9.384 532 HB2 MET 83 HB2 MET 83 24.064 9.840 10.136 533 HB3 MET 83 HB3 MET 83 24.393 10.585 11.704 534 HG2 MET 83 HG2 MET 83 22.523 9.012 11.789 535 HG3 MET 83 HG3 MET 83 22.021 10.637 12.235 536 HE1 MET 83 HE1 MET 83 19.702 9.350 12.136 537 HE2 MET 83 HE2 MET 83 18.880 8.864 10.634 538 HE3 MET 83 HE3 MET 83 20.245 7.907 11.255 539 H ARG 84 H ARG 84 24.884 13.641 11.822 540 HA ARG 84 HA ARG 84 22.414 14.106 13.403 541 HB2 ARG 84 HB2 ARG 84 25.270 14.932 13.856 542 HB3 ARG 84 HB3 ARG 84 23.940 15.318 14.950 543 HG2 ARG 84 HG2 ARG 84 24.970 12.536 14.263 544 HG3 ARG 84 HG3 ARG 84 25.277 13.424 15.752 545 HD2 ARG 84 HD2 ARG 84 22.577 12.420 14.780 546 HD3 ARG 84 HD3 ARG 84 23.556 11.714 16.067 547 HE ARG 84 HE ARG 84 23.273 14.140 17.117 548 HH11 ARG 84 HH11 ARG 84 20.820 12.030 15.795 549 HH12 ARG 84 HH12 ARG 84 19.548 12.795 16.709 550 HH21 ARG 84 HH21 ARG 84 21.570 15.006 18.332 551 HH22 ARG 84 HH22 ARG 84 19.929 14.549 17.928 552 H ARG 85 H ARG 85 24.370 16.018 11.108 553 HA ARG 85 HA ARG 85 22.803 18.470 11.601 554 HB2 ARG 85 HB2 ARG 85 24.754 17.528 9.502 555 HB3 ARG 85 HB3 ARG 85 23.641 18.808 9.073 556 HG2 ARG 85 HG2 ARG 85 25.849 19.623 9.849 557 HG3 ARG 85 HG3 ARG 85 24.488 20.305 10.717 558 HD2 ARG 85 HD2 ARG 85 26.059 17.987 11.860 559 HD3 ARG 85 HD3 ARG 85 26.599 19.677 11.970 560 HE ARG 85 HE ARG 85 24.306 20.155 13.009 561 HH11 ARG 85 HH11 ARG 85 26.096 17.202 13.826 562 HH12 ARG 85 HH12 ARG 85 25.325 17.161 15.369 563 HH21 ARG 85 HH21 ARG 85 23.355 19.901 14.986 564 HH22 ARG 85 HH22 ARG 85 23.590 18.395 15.819 565 H PHE 86 H PHE 86 22.493 15.751 9.313 566 HA PHE 86 HA PHE 86 20.116 16.590 8.066 567 HB2 PHE 86 HB2 PHE 86 21.290 14.741 7.149 568 HB3 PHE 86 HB3 PHE 86 21.311 13.871 8.670 569 HD1 PHE 86 HD1 PHE 86 19.155 14.862 5.801 570 HD2 PHE 86 HD2 PHE 86 19.479 12.469 9.377 571 HE1 PHE 86 HE1 PHE 86 17.089 13.646 5.179 572 HE2 PHE 86 HE2 PHE 86 17.382 11.282 8.773 573 HZ PHE 86 HZ PHE 86 16.183 11.868 6.672 574 H LEU 87 H LEU 87 20.324 14.452 10.982 575 HA LEU 87 HA LEU 87 17.480 14.421 11.268 576 HB2 LEU 87 HB2 LEU 87 19.145 12.690 11.997 577 HB3 LEU 87 HB3 LEU 87 19.555 13.701 13.377 578 HG LEU 87 HG LEU 87 16.708 12.741 12.794 579 HD11 LEU 87 HD11 LEU 87 18.149 10.783 12.986 580 HD12 LEU 87 HD12 LEU 87 17.125 10.925 14.417 581 HD13 LEU 87 HD13 LEU 87 18.833 11.399 14.508 582 HD21 LEU 87 HD21 LEU 87 16.522 12.955 15.330 583 HD22 LEU 87 HD22 LEU 87 16.623 14.467 14.469 584 HD23 LEU 87 HD23 LEU 87 18.061 13.833 15.299 585 H GLN 88 H GLN 88 19.984 16.434 12.969 586 HA GLN 88 HA GLN 88 17.941 17.629 14.641 587 HB2 GLN 88 HB2 GLN 88 20.807 18.510 14.154 588 HB3 GLN 88 HB3 GLN 88 19.704 19.178 15.362 589 HG2 GLN 88 HG2 GLN 88 19.370 16.779 16.219 590 HG3 GLN 88 HG3 GLN 88 20.739 16.307 15.233 591 HE21 GLN 88 HE21 GLN 88 19.705 18.198 18.052 592 HE22 GLN 88 HE22 GLN 88 21.335 18.315 18.731 593 H CYS 89 H CYS 89 18.989 18.391 11.359 594 HA CYS 89 HA CYS 89 17.370 20.832 11.278 595 HB2 CYS 89 2HB CYS 89 19.154 20.487 9.680 596 HB3 CYS 89 3HB CYS 89 18.415 19.001 9.107 597 H ALA 90 H ALA 90 16.721 17.349 10.462 598 HA ALA 90 HA ALA 90 14.022 17.767 9.713 599 HB1 ALA 90 HB1 ALA 90 15.393 15.726 9.268 600 HB2 ALA 90 HB2 ALA 90 15.258 15.289 10.986 601 HB3 ALA 90 HB3 ALA 90 13.807 15.355 9.975 602 H GLU 91 H GLU 91 15.396 17.486 12.931 603 HA GLU 91 HA GLU 91 12.875 17.366 14.353 604 HB2 GLU 91 HB2 GLU 91 15.066 16.477 15.160 605 HB3 GLU 91 HB3 GLU 91 15.672 18.127 15.274 606 HG2 GLU 91 HG2 GLU 91 15.065 17.339 17.466 607 HG3 GLU 91 HG3 GLU 91 13.970 18.635 17.011 608 H GLN 92 H GLN 92 14.918 20.118 13.246 609 HA GLN 92 HA GLN 92 13.404 21.967 14.960 610 HB2 GLN 92 HB2 GLN 92 14.926 23.640 14.434 611 HB3 GLN 92 HB3 GLN 92 15.866 22.178 14.611 612 HG2 GLN 92 HG2 GLN 92 16.848 22.668 12.676 613 HG3 GLN 92 HG3 GLN 92 15.351 22.273 11.847 614 HE21 GLN 92 HE21 GLN 92 13.690 24.460 12.261 615 HE22 GLN 92 HE22 GLN 92 14.450 25.856 11.548 616 H VAL 93 H VAL 93 12.858 20.768 11.780 617 HA VAL 93 HA VAL 93 11.781 23.288 10.786 618 HB VAL 93 HB VAL 93 11.186 22.039 8.740 619 HG11 VAL 93 HG11 VAL 93 13.257 23.290 8.927 620 HG12 VAL 93 HG12 VAL 93 14.066 21.924 9.711 621 HG13 VAL 93 HG13 VAL 93 13.554 21.791 8.027 622 HG21 VAL 93 HG21 VAL 93 12.101 19.820 8.347 623 HG22 VAL 93 HG22 VAL 93 12.661 19.712 10.025 624 HG23 VAL 93 HG23 VAL 93 10.923 19.764 9.664 Start of MODEL 17 1 H TYR 11 H TYR 11 2.156 15.581 -1.836 2 HA TYR 11 HA TYR 11 3.215 12.950 -1.000 3 HB2 TYR 11 HB2 TYR 11 1.130 12.562 0.380 4 HB3 TYR 11 HB3 TYR 11 2.327 13.634 1.058 5 HD1 TYR 11 HD2 TYR 11 -0.987 13.645 -0.748 6 HD2 TYR 11 HD1 TYR 11 1.774 15.780 1.788 7 HE1 TYR 11 HE2 TYR 11 -2.743 15.344 -0.249 8 HE2 TYR 11 HE1 TYR 11 0.032 17.473 2.269 9 HH TYR 11 HH TYR 11 -2.126 18.081 1.997 10 H CYS 12 H CYS 12 1.723 11.159 -1.528 11 HA CYS 12 HA CYS 12 0.458 11.682 -4.181 12 HB2 CYS 12 2HB CYS 12 1.910 9.409 -4.584 13 HB3 CYS 12 3HB CYS 12 2.392 11.034 -5.012 14 H GLY 13 H GLY 13 -0.585 9.821 -5.183 15 HA2 GLY 13 HA2 GLY 13 -2.829 9.058 -3.560 16 HA3 GLY 13 HA3 GLY 13 -2.579 8.740 -5.266 17 H ARG 14 H ARG 14 0.072 7.453 -4.047 18 HA ARG 14 HA ARG 14 -0.611 4.722 -4.407 19 HB2 ARG 14 HB2 ARG 14 1.620 4.254 -4.028 20 HB3 ARG 14 HB3 ARG 14 1.668 5.874 -4.685 21 HG2 ARG 14 HG2 ARG 14 2.051 5.027 -1.790 22 HG3 ARG 14 HG3 ARG 14 3.283 5.614 -2.882 23 HD2 ARG 14 HD2 ARG 14 2.336 7.840 -2.886 24 HD3 ARG 14 HD3 ARG 14 0.971 7.302 -1.911 25 HE ARG 14 HE ARG 14 3.656 6.959 -0.738 26 HH11 ARG 14 HH11 ARG 14 0.713 8.960 -0.672 27 HH12 ARG 14 HH12 ARG 14 1.017 9.403 0.982 28 HH21 ARG 14 HH21 ARG 14 3.895 7.643 1.404 29 HH22 ARG 14 HH22 ARG 14 2.672 8.702 2.063 30 H GLU 15 H GLU 15 -0.991 6.653 -1.610 31 HA GLU 15 HA GLU 15 -0.735 4.365 0.285 32 HB2 GLU 15 HB2 GLU 15 0.184 6.485 0.944 33 HB3 GLU 15 HB3 GLU 15 -1.358 7.307 0.723 34 HG2 GLU 15 HG2 GLU 15 -2.333 6.109 2.601 35 HG3 GLU 15 HG3 GLU 15 -0.883 5.097 2.748 36 H LEU 16 H LEU 16 -3.339 6.545 -0.897 37 HA LEU 16 HA LEU 16 -5.433 4.945 0.337 38 HB2 LEU 16 HB2 LEU 16 -5.321 7.238 -1.619 39 HB3 LEU 16 HB3 LEU 16 -6.806 6.322 -1.494 40 HG LEU 16 HG LEU 16 -6.771 8.384 -0.122 41 HD11 LEU 16 HD11 LEU 16 -7.785 7.427 1.875 42 HD12 LEU 16 HD12 LEU 16 -7.075 5.843 1.531 43 HD13 LEU 16 HD13 LEU 16 -8.297 6.539 0.438 44 HD21 LEU 16 HD21 LEU 16 -5.620 8.466 2.020 45 HD22 LEU 16 HD22 LEU 16 -4.442 8.345 0.713 46 HD23 LEU 16 HD23 LEU 16 -4.819 6.921 1.706 47 H GLU 17 H GLU 17 -3.712 4.656 -2.715 48 HA GLU 17 HA GLU 17 -5.418 2.600 -3.846 49 HB2 GLU 17 HB2 GLU 17 -3.738 3.851 -5.172 50 HB3 GLU 17 HB3 GLU 17 -2.437 3.084 -4.254 51 HG2 GLU 17 HG2 GLU 17 -3.116 0.865 -5.075 52 HG3 GLU 17 HG3 GLU 17 -4.527 1.564 -5.871 53 H GLN 18 H GLN 18 -2.397 2.389 -1.809 54 HA GLN 18 HA GLN 18 -2.462 -0.428 -1.653 55 HB2 GLN 18 HB2 GLN 18 -0.512 0.999 -0.992 56 HB3 GLN 18 HB3 GLN 18 -1.368 1.441 0.498 57 HG2 GLN 18 HG2 GLN 18 -1.456 -0.934 1.180 58 HG3 GLN 18 HG3 GLN 18 -0.794 -1.425 -0.371 59 HE21 GLN 18 HE21 GLN 18 0.059 0.114 2.755 60 HE22 GLN 18 HE22 GLN 18 1.775 -0.154 2.497 61 H TYR 19 H TYR 19 -4.085 1.951 0.548 62 HA TYR 19 HA TYR 19 -5.184 -0.114 2.222 63 HB2 TYR 19 HB2 TYR 19 -6.053 2.734 1.577 64 HB3 TYR 19 HB3 TYR 19 -7.001 1.707 2.642 65 HD1 TYR 19 HD2 TYR 19 -5.917 0.694 4.699 66 HD2 TYR 19 HD1 TYR 19 -4.267 4.031 2.549 67 HE1 TYR 19 HE2 TYR 19 -4.440 1.206 6.632 68 HE2 TYR 19 HE1 TYR 19 -2.775 4.539 4.472 69 HH TYR 19 HH TYR 19 -1.968 3.817 6.446 70 H GLY 20 H GLY 20 -6.388 1.160 -0.910 71 HA2 GLY 20 HA2 GLY 20 -8.878 -0.255 -0.437 72 HA3 GLY 20 HA3 GLY 20 -8.522 0.759 -1.874 73 H GLN 21 H GLN 21 -6.029 -1.191 -2.242 74 HA GLN 21 HA GLN 21 -7.548 -3.701 -2.893 75 HB2 GLN 21 HB2 GLN 21 -4.722 -2.790 -3.518 76 HB3 GLN 21 HB3 GLN 21 -5.132 -4.505 -3.476 77 HG2 GLN 21 HG2 GLN 21 -5.366 -3.878 -5.734 78 HG3 GLN 21 HG3 GLN 21 -7.000 -4.071 -5.121 79 HE21 GLN 21 HE21 GLN 21 -4.534 -1.655 -6.063 80 HE22 GLN 21 HE22 GLN 21 -5.742 -0.395 -6.410 81 H CYS 22 H CYS 22 -4.822 -2.671 -0.769 82 HA CYS 22 HA CYS 22 -4.744 -5.420 0.162 83 HB2 CYS 22 2HB CYS 22 -2.768 -3.170 0.312 84 HB3 CYS 22 3HB CYS 22 -2.573 -4.675 1.184 85 H VAL 23 H VAL 23 -6.295 -2.635 1.556 86 HA VAL 23 HA VAL 23 -6.474 -4.380 3.996 87 HB VAL 23 HB VAL 23 -7.382 -1.512 3.752 88 HG11 VAL 23 HG11 VAL 23 -8.993 -2.699 5.154 89 HG12 VAL 23 HG12 VAL 23 -7.679 -3.505 6.043 90 HG13 VAL 23 HG13 VAL 23 -7.918 -1.751 6.172 91 HG21 VAL 23 HG21 VAL 23 -4.977 -1.707 4.107 92 HG22 VAL 23 HG22 VAL 23 -5.707 -1.311 5.668 93 HG23 VAL 23 HG23 VAL 23 -5.206 -2.969 5.334 94 H ALA 24 H ALA 24 -8.057 -3.638 1.011 95 HA ALA 24 HA ALA 24 -10.709 -4.128 1.996 96 HB1 ALA 24 HB1 ALA 24 -9.660 -4.082 -0.858 97 HB2 ALA 24 HB2 ALA 24 -11.341 -3.861 -0.339 98 HB3 ALA 24 HB3 ALA 24 -10.135 -2.645 0.087 99 H ALA 25 H ALA 25 -8.327 -6.305 0.465 100 HA ALA 25 HA ALA 25 -10.243 -8.513 0.307 101 HB1 ALA 25 HB1 ALA 25 -8.361 -8.336 -1.249 102 HB2 ALA 25 HB2 ALA 25 -7.200 -8.454 0.090 103 HB3 ALA 25 HB3 ALA 25 -8.250 -9.833 -0.306 104 H LYS 26 H LYS 26 -7.468 -7.814 2.407 105 HA LYS 26 HA LYS 26 -8.745 -8.796 4.827 106 HB2 LYS 26 HB2 LYS 26 -5.992 -9.928 4.157 107 HB3 LYS 26 HB3 LYS 26 -6.995 -10.253 5.566 108 HG2 LYS 26 HG2 LYS 26 -8.599 -11.468 4.032 109 HG3 LYS 26 HG3 LYS 26 -7.462 -11.202 2.716 110 HD2 LYS 26 HD2 LYS 26 -7.118 -13.422 3.533 111 HD3 LYS 26 HD3 LYS 26 -5.712 -12.460 3.991 112 HE2 LYS 26 HE2 LYS 26 -6.669 -12.227 6.310 113 HE3 LYS 26 HE3 LYS 26 -8.050 -13.203 5.816 114 HZ1 LYS 26 HZ1 LYS 26 -6.339 -14.533 6.949 115 HZ2 LYS 26 HZ2 LYS 26 -5.230 -14.148 5.832 116 HZ3 LYS 26 HZ3 LYS 26 -6.535 -15.048 5.390 117 HA PRO 27 HA PRO 27 -6.024 -5.357 6.162 118 HB2 PRO 27 HB2 PRO 27 -6.031 -6.794 8.814 119 HB3 PRO 27 HB3 PRO 27 -6.252 -5.051 8.473 120 HG2 PRO 27 HG2 PRO 27 -8.398 -6.607 9.021 121 HG3 PRO 27 HG3 PRO 27 -8.485 -5.406 7.694 122 HD2 PRO 27 HD2 PRO 27 -7.998 -8.391 7.485 123 HD3 PRO 27 HD3 PRO 27 -9.071 -7.348 6.507 124 H GLU 28 H GLU 28 -5.148 -8.760 6.721 125 HA GLU 28 HA GLU 28 -2.277 -8.186 6.740 126 HB2 GLU 28 HB2 GLU 28 -1.962 -10.555 6.852 127 HB3 GLU 28 HB3 GLU 28 -3.138 -10.020 8.056 128 HG2 GLU 28 HG2 GLU 28 -4.982 -10.853 6.668 129 HG3 GLU 28 HG3 GLU 28 -3.866 -11.266 5.369 130 H SER 29 H SER 29 -4.432 -8.201 4.098 131 HA SER 29 HA SER 29 -2.674 -9.398 2.101 132 HB2 SER 29 HB2 SER 29 -5.091 -9.102 1.764 133 HB3 SER 29 HB3 SER 29 -4.904 -7.352 1.819 134 HG SER 29 HG SER 29 -3.747 -9.114 -0.114 135 H TRP 30 H TRP 30 -2.891 -6.276 3.680 136 HA TRP 30 HA TRP 30 -0.915 -4.703 2.498 137 HB2 TRP 30 HB2 TRP 30 -2.423 -4.328 4.509 138 HB3 TRP 30 HB3 TRP 30 -1.310 -5.301 5.453 139 HD1 TRP 30 HD1 TRP 30 1.013 -4.174 6.139 140 HE1 TRP 30 HE1 TRP 30 1.697 -1.712 6.406 141 HE3 TRP 30 HE3 TRP 30 -2.712 -1.965 3.379 142 HZ2 TRP 30 HZ2 TRP 30 0.700 0.863 5.657 143 HZ3 TRP 30 HZ3 TRP 30 -2.835 0.515 3.219 144 HH2 TRP 30 HH2 TRP 30 -1.143 1.935 4.353 145 H GLN 31 H GLN 31 -0.377 -7.635 4.504 146 HA GLN 31 HA GLN 31 2.555 -7.368 4.231 147 HB2 GLN 31 HB2 GLN 31 0.905 -9.506 5.633 148 HB3 GLN 31 HB3 GLN 31 2.667 -9.398 5.586 149 HG2 GLN 31 HG2 GLN 31 2.430 -7.063 6.619 150 HG3 GLN 31 HG3 GLN 31 0.743 -7.467 6.935 151 HE21 GLN 31 HE21 GLN 31 3.512 -7.209 8.549 152 HE22 GLN 31 HE22 GLN 31 3.335 -8.534 9.699 153 H ARG 32 H ARG 32 -0.073 -9.499 3.104 154 HA ARG 32 HA ARG 32 1.804 -11.327 1.846 155 HB2 ARG 32 HB2 ARG 32 -0.278 -11.880 3.128 156 HB3 ARG 32 HB3 ARG 32 -1.239 -11.341 1.771 157 HG2 ARG 32 HG2 ARG 32 0.886 -13.529 1.517 158 HG3 ARG 32 HG3 ARG 32 -0.712 -13.873 2.141 159 HD2 ARG 32 HD2 ARG 32 -0.048 -12.977 -0.666 160 HD3 ARG 32 HD3 ARG 32 -0.684 -14.528 -0.141 161 HE ARG 32 HE ARG 32 -2.172 -12.046 -0.580 162 HH11 ARG 32 HH11 ARG 32 -2.528 -15.150 1.146 163 HH12 ARG 32 HH12 ARG 32 -4.269 -14.915 1.136 164 HH21 ARG 32 HH21 ARG 32 -4.213 -11.918 -0.468 165 HH22 ARG 32 HH22 ARG 32 -5.200 -13.254 0.181 166 H ASP 33 H ASP 33 -0.300 -8.826 0.498 167 HA ASP 33 HA ASP 33 0.339 -9.777 -2.268 168 HB2 ASP 33 HB2 ASP 33 -1.932 -8.133 -1.121 169 HB3 ASP 33 HB3 ASP 33 -1.689 -8.327 -2.834 170 H CYS 34 H CYS 34 0.378 -6.774 -0.290 171 HA CYS 34 HA CYS 34 1.323 -5.232 -2.635 172 HB2 CYS 34 2HB CYS 34 0.375 -4.541 0.144 173 HB3 CYS 34 3HB CYS 34 1.258 -3.381 -0.830 174 H HIS 35 H HIS 35 3.397 -6.035 -3.065 175 HA HIS 35 HA HIS 35 5.507 -5.555 -1.033 176 HB2 HIS 35 2HB HIS 35 5.472 -7.686 -2.329 177 HB3 HIS 35 3HB HIS 35 5.814 -6.757 -3.794 178 HD1 HIS 35 1HD HIS 35 7.385 -7.114 -0.240 179 HD2 HIS 35 2HD HIS 35 8.376 -6.432 -4.277 180 HE1 HIS 35 1HE HIS 35 9.922 -6.792 -0.311 181 H TYR 36 H TYR 36 4.765 -4.517 -4.408 182 HA TYR 36 HA TYR 36 6.935 -2.586 -4.502 183 HB2 TYR 36 HB2 TYR 36 4.462 -3.061 -6.209 184 HB3 TYR 36 HB3 TYR 36 5.571 -1.740 -6.507 185 HD1 TYR 36 HD2 TYR 36 7.902 -2.116 -7.219 186 HD2 TYR 36 HD1 TYR 36 5.091 -5.370 -6.834 187 HE1 TYR 36 HE2 TYR 36 9.366 -3.547 -8.623 188 HE2 TYR 36 HE1 TYR 36 6.575 -6.810 -8.214 189 HH TYR 36 HH TYR 36 9.638 -5.567 -9.625 190 H LEU 37 H LEU 37 3.461 -2.376 -3.724 191 HA LEU 37 HA LEU 37 3.376 0.467 -3.475 192 HB2 LEU 37 HB2 LEU 37 1.588 -1.650 -2.217 193 HB3 LEU 37 HB3 LEU 37 1.311 0.085 -2.198 194 HG LEU 37 HG LEU 37 1.430 -0.086 -4.809 195 HD11 LEU 37 HD11 LEU 37 0.702 -2.958 -4.046 196 HD12 LEU 37 HD12 LEU 37 2.070 -2.444 -5.063 197 HD13 LEU 37 HD13 LEU 37 0.428 -2.232 -5.638 198 HD21 LEU 37 HD21 LEU 37 -0.569 0.550 -3.529 199 HD22 LEU 37 HD22 LEU 37 -0.941 -1.171 -3.242 200 HD23 LEU 37 HD23 LEU 37 -0.991 -0.499 -4.885 201 H LYS 38 H LYS 38 4.230 -2.048 -1.067 202 HA LYS 38 HA LYS 38 4.273 -0.309 1.196 203 HB2 LYS 38 HB2 LYS 38 4.129 -2.748 1.319 204 HB3 LYS 38 HB3 LYS 38 5.779 -2.912 0.703 205 HG2 LYS 38 HG2 LYS 38 6.705 -1.895 2.710 206 HG3 LYS 38 HG3 LYS 38 5.087 -1.437 3.288 207 HD2 LYS 38 HD2 LYS 38 4.442 -3.787 3.474 208 HD3 LYS 38 HD3 LYS 38 5.999 -4.316 2.837 209 HE2 LYS 38 HE2 LYS 38 5.616 -2.770 5.445 210 HE3 LYS 38 HE3 LYS 38 5.713 -4.530 5.321 211 HZ1 LYS 38 HZ1 LYS 38 7.957 -4.128 4.224 212 HZ2 LYS 38 HZ2 LYS 38 7.863 -3.817 5.842 213 HZ3 LYS 38 HZ3 LYS 38 7.851 -2.581 4.796 214 H MET 39 H MET 39 6.834 -1.095 -1.119 215 HA MET 39 HA MET 39 8.818 0.666 0.069 216 HB2 MET 39 HB2 MET 39 9.408 -1.141 -1.427 217 HB3 MET 39 HB3 MET 39 8.438 -0.474 -2.737 218 HG2 MET 39 HG2 MET 39 10.808 1.014 -1.552 219 HG3 MET 39 HG3 MET 39 10.967 -0.201 -2.818 220 HE1 MET 39 HE1 MET 39 12.318 2.276 -3.564 221 HE2 MET 39 HE2 MET 39 11.961 1.054 -4.802 222 HE3 MET 39 HE3 MET 39 11.612 2.769 -5.116 223 H SER 40 H SER 40 6.397 1.134 -2.559 224 HA SER 40 HA SER 40 7.021 3.807 -3.136 225 HB2 SER 40 HB2 SER 40 5.559 2.255 -4.441 226 HB3 SER 40 HB3 SER 40 4.256 2.562 -3.280 227 HG SER 40 HG SER 40 4.250 3.901 -5.193 228 H ILE 41 H ILE 41 4.746 2.655 -0.537 229 HA ILE 41 HA ILE 41 3.816 5.289 -0.043 230 HB ILE 41 HB ILE 41 3.109 4.564 2.214 231 HG12 ILE 41 HG12 ILE 41 3.915 1.754 1.469 232 HG13 ILE 41 HG13 ILE 41 4.981 2.779 2.430 233 HG21 ILE 41 HG21 ILE 41 1.615 4.417 0.314 234 HG22 ILE 41 HG22 ILE 41 2.252 2.818 -0.132 235 HG23 ILE 41 HG23 ILE 41 1.342 3.034 1.371 236 HD11 ILE 41 HD11 ILE 41 3.640 1.320 3.868 237 HD12 ILE 41 HD12 ILE 41 3.288 3.033 4.164 238 HD13 ILE 41 HD13 ILE 41 2.144 2.038 3.241 239 H ALA 42 H ALA 42 6.729 3.737 1.318 240 HA ALA 42 HA ALA 42 7.278 6.169 2.888 241 HB1 ALA 42 HB1 ALA 42 8.995 3.728 2.233 242 HB2 ALA 42 HB2 ALA 42 9.414 5.010 3.390 243 HB3 ALA 42 HB3 ALA 42 8.006 3.976 3.691 244 H GLN 43 H GLN 43 8.583 4.720 -0.111 245 HA GLN 43 HA GLN 43 10.561 6.778 -0.443 246 HB2 GLN 43 HB2 GLN 43 9.549 4.599 -2.317 247 HB3 GLN 43 HB3 GLN 43 10.956 5.605 -2.633 248 HG2 GLN 43 HG2 GLN 43 10.657 3.674 -0.283 249 HG3 GLN 43 HG3 GLN 43 11.594 3.399 -1.744 250 HE21 GLN 43 HE21 GLN 43 13.399 5.062 -2.196 251 HE22 GLN 43 HE22 GLN 43 14.265 5.602 -0.749 252 H CYS 44 H CYS 44 7.197 6.742 -1.477 253 HA CYS 44 HA CYS 44 7.683 8.833 -3.487 254 HB2 CYS 44 2HB CYS 44 5.947 7.084 -3.670 255 HB3 CYS 44 3HB CYS 44 5.082 7.812 -2.323 256 H THR 45 H THR 45 6.912 8.830 0.029 257 HA THR 45 HA THR 45 6.502 11.766 -0.029 258 HB THR 45 HB THR 45 6.462 11.328 2.564 259 HG1 THR 45 HG1 THR 45 5.584 9.140 2.861 260 HG21 THR 45 HG21 THR 45 4.302 10.442 0.619 261 HG22 THR 45 HG22 THR 45 4.531 12.055 1.319 262 HG23 THR 45 HG23 THR 45 4.049 10.715 2.366 263 H SER 46 H SER 46 9.142 9.595 0.447 264 HA SER 46 HA SER 46 10.604 10.713 2.433 265 HB2 SER 46 HB2 SER 46 12.533 9.590 1.537 266 HB3 SER 46 HB3 SER 46 11.084 8.592 1.403 267 HG SER 46 HG SER 46 11.163 9.869 -0.879 268 H SER 47 H SER 47 10.726 11.979 -0.910 269 HA SER 47 HA SER 47 11.918 14.422 0.259 270 HB2 SER 47 HB2 SER 47 13.316 14.887 -1.609 271 HB3 SER 47 HB3 SER 47 13.768 13.329 -0.908 272 HG SER 47 HG SER 47 13.098 12.304 -2.676 273 H HIS 48 H HIS 48 10.709 13.386 -2.900 274 HA HIS 48 HA HIS 48 8.192 14.865 -2.608 275 HB2 HIS 48 2HB HIS 48 10.340 15.504 -4.663 276 HB3 HIS 48 3HB HIS 48 8.647 15.730 -5.069 277 HD1 HIS 48 1HD HIS 48 7.225 17.476 -3.421 278 HD2 HIS 48 2HD HIS 48 11.436 17.456 -3.201 279 HE1 HIS 48 1HE HIS 48 7.896 19.567 -2.149 280 HA PRO 49 HA PRO 49 6.526 11.431 -4.730 281 HB2 PRO 49 HB2 PRO 49 5.116 13.285 -6.647 282 HB3 PRO 49 HB3 PRO 49 4.443 11.916 -5.708 283 HG2 PRO 49 HG2 PRO 49 4.074 14.422 -4.799 284 HG3 PRO 49 HG3 PRO 49 4.632 13.168 -3.642 285 HD2 PRO 49 HD2 PRO 49 6.302 15.206 -5.157 286 HD3 PRO 49 HD3 PRO 49 6.293 14.825 -3.408 287 H ILE 50 H ILE 50 8.996 12.704 -6.287 288 HA ILE 50 HA ILE 50 8.684 11.368 -8.894 289 HB ILE 50 HB ILE 50 9.927 13.354 -8.999 290 HG12 ILE 50 HG12 ILE 50 11.876 11.016 -9.185 291 HG13 ILE 50 HG13 ILE 50 10.595 11.356 -10.351 292 HG21 ILE 50 HG21 ILE 50 10.711 13.572 -6.647 293 HG22 ILE 50 HG22 ILE 50 11.909 12.293 -6.938 294 HG23 ILE 50 HG23 ILE 50 12.002 13.831 -7.807 295 HD11 ILE 50 HD11 ILE 50 13.001 13.113 -9.752 296 HD12 ILE 50 HD12 ILE 50 12.661 12.195 -11.224 297 HD13 ILE 50 HD13 ILE 50 11.641 13.585 -10.810 298 H ILE 51 H ILE 51 8.668 9.268 -8.927 299 HA ILE 51 HA ILE 51 10.748 7.685 -7.618 300 HB ILE 51 HB ILE 51 9.093 7.841 -5.840 301 HG12 ILE 51 HG12 ILE 51 9.161 5.082 -7.135 302 HG13 ILE 51 HG13 ILE 51 10.406 5.794 -6.102 303 HG21 ILE 51 HG21 ILE 51 7.045 8.235 -7.258 304 HG22 ILE 51 HG22 ILE 51 7.040 6.499 -7.642 305 HG23 ILE 51 HG23 ILE 51 6.822 7.056 -5.976 306 HD11 ILE 51 HD11 ILE 51 8.680 5.914 -4.253 307 HD12 ILE 51 HD12 ILE 51 7.586 4.975 -5.298 308 HD13 ILE 51 HD13 ILE 51 9.122 4.277 -4.775 309 H ARG 52 H ARG 52 11.336 6.070 -8.935 310 HA ARG 52 HA ARG 52 10.545 6.005 -11.542 311 HB2 ARG 52 HB2 ARG 52 11.921 4.009 -11.837 312 HB3 ARG 52 HB3 ARG 52 12.688 5.212 -10.802 313 HG2 ARG 52 HG2 ARG 52 11.986 3.890 -8.783 314 HG3 ARG 52 HG3 ARG 52 11.303 2.658 -9.865 315 HD2 ARG 52 HD2 ARG 52 13.552 2.310 -10.862 316 HD3 ARG 52 HD3 ARG 52 14.219 3.552 -9.800 317 HE ARG 52 HE ARG 52 13.035 0.935 -8.891 318 HH11 ARG 52 HH11 ARG 52 15.427 3.449 -8.271 319 HH12 ARG 52 HH12 ARG 52 15.919 2.672 -6.782 320 HH21 ARG 52 HH21 ARG 52 13.680 0.074 -7.093 321 HH22 ARG 52 HH22 ARG 52 14.820 0.879 -6.025 322 H GLN 53 H GLN 53 8.757 4.305 -9.136 323 HA GLN 53 HA GLN 53 7.377 2.446 -10.850 324 HB2 GLN 53 HB2 GLN 53 6.461 3.862 -8.317 325 HB3 GLN 53 HB3 GLN 53 5.589 2.570 -9.149 326 HG2 GLN 53 HG2 GLN 53 7.627 1.082 -8.843 327 HG3 GLN 53 HG3 GLN 53 8.334 2.350 -7.837 328 HE21 GLN 53 HE21 GLN 53 8.312 0.460 -6.218 329 HE22 GLN 53 HE22 GLN 53 6.829 0.327 -5.263 330 H ILE 54 H ILE 54 7.126 5.969 -10.626 331 HA ILE 54 HA ILE 54 4.527 6.137 -11.936 332 HB ILE 54 HB ILE 54 6.746 8.188 -11.635 333 HG12 ILE 54 HG12 ILE 54 5.898 7.527 -9.451 334 HG13 ILE 54 HG13 ILE 54 5.413 9.159 -9.838 335 HG21 ILE 54 HG21 ILE 54 5.366 8.867 -13.487 336 HG22 ILE 54 HG22 ILE 54 3.872 8.515 -12.591 337 HG23 ILE 54 HG23 ILE 54 4.928 9.860 -12.098 338 HD11 ILE 54 HD11 ILE 54 3.110 8.350 -10.371 339 HD12 ILE 54 HD12 ILE 54 3.618 6.693 -9.953 340 HD13 ILE 54 HD13 ILE 54 3.617 7.962 -8.720 341 H ARG 55 H ARG 55 7.952 6.407 -13.155 342 HA ARG 55 HA ARG 55 7.021 6.411 -15.908 343 HB2 ARG 55 HB2 ARG 55 9.257 6.008 -16.618 344 HB3 ARG 55 HB3 ARG 55 9.192 7.332 -15.466 345 HG2 ARG 55 HG2 ARG 55 10.244 6.057 -13.757 346 HG3 ARG 55 HG3 ARG 55 10.032 4.525 -14.626 347 HD2 ARG 55 HD2 ARG 55 11.711 6.819 -15.691 348 HD3 ARG 55 HD3 ARG 55 12.368 5.510 -14.694 349 HE ARG 55 HE ARG 55 11.175 4.033 -16.580 350 HH11 ARG 55 HH11 ARG 55 13.367 6.793 -17.088 351 HH12 ARG 55 HH12 ARG 55 13.764 6.167 -18.691 352 HH21 ARG 55 HH21 ARG 55 11.893 3.381 -18.577 353 HH22 ARG 55 HH22 ARG 55 13.107 4.373 -19.393 354 H GLN 56 H GLN 56 7.921 3.747 -13.718 355 HA GLN 56 HA GLN 56 7.801 1.712 -15.664 356 HB2 GLN 56 HB2 GLN 56 8.683 1.640 -13.236 357 HB3 GLN 56 HB3 GLN 56 7.009 1.333 -12.766 358 HG2 GLN 56 HG2 GLN 56 8.143 -0.777 -12.926 359 HG3 GLN 56 HG3 GLN 56 7.007 -0.693 -14.262 360 HE21 GLN 56 HE21 GLN 56 8.485 -2.500 -15.020 361 HE22 GLN 56 HE22 GLN 56 9.960 -2.056 -15.886 362 H ALA 57 H ALA 57 5.082 3.164 -13.826 363 HA ALA 57 HA ALA 57 3.075 1.412 -14.973 364 HB1 ALA 57 HB1 ALA 57 2.797 2.535 -12.818 365 HB2 ALA 57 HB2 ALA 57 2.907 4.126 -13.599 366 HB3 ALA 57 HB3 ALA 57 1.528 3.053 -13.940 367 H CYS 58 H CYS 58 4.888 3.873 -16.385 368 HA CYS 58 HA CYS 58 2.832 4.697 -18.388 369 HB2 CYS 58 2HB CYS 58 3.518 6.271 -16.479 370 HB3 CYS 58 3HB CYS 58 5.123 6.288 -17.186 371 H ALA 59 H ALA 59 4.863 2.465 -18.540 372 HA ALA 59 HA ALA 59 7.325 3.630 -19.333 373 HB1 ALA 59 HB1 ALA 59 8.194 1.367 -19.122 374 HB2 ALA 59 HB2 ALA 59 7.106 1.742 -17.782 375 HB3 ALA 59 HB3 ALA 59 6.553 0.698 -19.107 376 H GLN 60 H GLN 60 4.987 1.750 -21.332 377 HA GLN 60 HA GLN 60 6.852 0.955 -23.234 378 HB2 GLN 60 HB2 GLN 60 4.493 0.127 -22.945 379 HB3 GLN 60 HB3 GLN 60 3.946 1.511 -23.897 380 HG2 GLN 60 HG2 GLN 60 5.429 0.768 -25.776 381 HG3 GLN 60 HG3 GLN 60 5.963 -0.600 -24.792 382 HE21 GLN 60 HE21 GLN 60 5.142 -1.532 -26.993 383 HE22 GLN 60 HE22 GLN 60 3.459 -2.069 -26.956 384 HA PRO 61 HA PRO 61 6.412 4.885 -25.915 385 HB2 PRO 61 HB2 PRO 61 5.195 7.146 -24.981 386 HB3 PRO 61 HB3 PRO 61 4.310 5.833 -25.814 387 HG2 PRO 61 HG2 PRO 61 4.612 6.250 -22.820 388 HG3 PRO 61 HG3 PRO 61 3.104 5.976 -23.753 389 HD2 PRO 61 HD2 PRO 61 4.381 3.973 -22.474 390 HD3 PRO 61 HD3 PRO 61 3.624 3.706 -24.070 391 H PHE 62 H PHE 62 7.177 4.858 -22.531 392 HA PHE 62 HA PHE 62 9.034 7.112 -22.549 393 HB2 PHE 62 HB2 PHE 62 7.777 5.587 -20.588 394 HB3 PHE 62 HB3 PHE 62 9.411 4.972 -20.520 395 HD1 PHE 62 HD1 PHE 62 11.131 7.320 -20.934 396 HD2 PHE 62 HD2 PHE 62 7.426 6.932 -18.739 397 HE1 PHE 62 HE1 PHE 62 11.730 9.288 -19.557 398 HE2 PHE 62 HE2 PHE 62 8.029 8.930 -17.388 399 HZ PHE 62 HZ PHE 62 10.181 10.104 -17.795 400 H GLU 63 H GLU 63 9.355 3.563 -22.538 401 HA GLU 63 HA GLU 63 12.108 3.259 -23.003 402 HB2 GLU 63 HB2 GLU 63 10.545 1.466 -22.340 403 HB3 GLU 63 HB3 GLU 63 9.663 1.641 -23.854 404 HG2 GLU 63 HG2 GLU 63 11.684 0.830 -25.096 405 HG3 GLU 63 HG3 GLU 63 12.505 0.602 -23.549 406 H ALA 64 H ALA 64 9.569 4.035 -25.333 407 HA ALA 64 HA ALA 64 11.367 3.723 -27.637 408 HB1 ALA 64 HB1 ALA 64 8.487 4.732 -27.405 409 HB2 ALA 64 HB2 ALA 64 9.331 4.295 -28.905 410 HB3 ALA 64 HB3 ALA 64 8.966 3.043 -27.705 411 H PHE 65 H PHE 65 10.484 6.436 -25.560 412 HA PHE 65 HA PHE 65 11.484 8.361 -27.602 413 HB2 PHE 65 HB2 PHE 65 9.608 9.182 -26.365 414 HB3 PHE 65 HB3 PHE 65 10.324 8.716 -24.821 415 HD1 PHE 65 HD2 PHE 65 11.305 10.772 -27.855 416 HD2 PHE 65 HD1 PHE 65 11.360 10.390 -23.558 417 HE1 PHE 65 HE2 PHE 65 12.546 12.916 -27.672 418 HE2 PHE 65 HE1 PHE 65 12.556 12.534 -23.382 419 HZ PHE 65 HZ PHE 65 13.144 13.825 -25.435 420 H GLU 66 H GLU 66 12.431 6.906 -24.438 421 HA GLU 66 HA GLU 66 14.778 8.546 -24.243 422 HB2 GLU 66 HB2 GLU 66 15.268 7.370 -22.345 423 HB3 GLU 66 HB3 GLU 66 13.499 7.378 -22.403 424 HG2 GLU 66 HG2 GLU 66 13.566 5.026 -23.256 425 HG3 GLU 66 HG3 GLU 66 15.328 5.051 -23.193 426 H GLU 67 H GLU 67 14.136 5.656 -26.036 427 HA GLU 67 HA GLU 67 16.858 5.014 -26.752 428 HB2 GLU 67 HB2 GLU 67 14.726 3.564 -26.858 429 HB3 GLU 67 HB3 GLU 67 14.339 4.432 -28.337 430 HG2 GLU 67 HG2 GLU 67 15.395 2.385 -28.946 431 HG3 GLU 67 HG3 GLU 67 16.555 3.662 -29.280 432 H CYS 68 H CYS 68 14.445 7.327 -28.062 433 HA CYS 68 HA CYS 68 15.930 8.058 -30.418 434 HB2 CYS 68 2HB CYS 68 13.591 8.801 -29.955 435 HB3 CYS 68 3HB CYS 68 14.219 9.930 -28.745 436 H LEU 69 H LEU 69 16.011 9.540 -27.113 437 HA LEU 69 HA LEU 69 18.274 11.134 -27.524 438 HB2 LEU 69 HB2 LEU 69 17.309 9.845 -24.946 439 HB3 LEU 69 HB3 LEU 69 18.293 11.294 -25.079 440 HG LEU 69 HG LEU 69 15.388 11.044 -25.977 441 HD11 LEU 69 HD11 LEU 69 15.023 12.576 -24.040 442 HD12 LEU 69 HD12 LEU 69 16.734 12.390 -23.613 443 HD13 LEU 69 HD13 LEU 69 15.644 10.988 -23.559 444 HD21 LEU 69 HD21 LEU 69 17.135 13.541 -25.809 445 HD22 LEU 69 HD22 LEU 69 15.434 13.459 -26.287 446 HD23 LEU 69 HD23 LEU 69 16.652 12.741 -27.333 447 H ARG 70 H ARG 70 18.143 7.688 -26.459 448 HA ARG 70 HA ARG 70 20.848 7.315 -25.808 449 HB2 ARG 70 HB2 ARG 70 18.994 5.680 -25.600 450 HB3 ARG 70 HB3 ARG 70 19.045 5.385 -27.334 451 HG2 ARG 70 HG2 ARG 70 21.547 4.979 -25.674 452 HG3 ARG 70 HG3 ARG 70 20.232 3.807 -25.588 453 HD2 ARG 70 HD2 ARG 70 20.320 3.551 -28.087 454 HD3 ARG 70 HD3 ARG 70 21.745 4.591 -28.112 455 HE ARG 70 HE ARG 70 23.042 2.898 -27.209 456 HH11 ARG 70 HH11 ARG 70 19.684 1.733 -27.214 457 HH12 ARG 70 HH12 ARG 70 20.136 0.245 -26.444 458 HH21 ARG 70 HH21 ARG 70 23.497 0.956 -26.285 459 HH22 ARG 70 HH22 ARG 70 22.222 -0.230 -26.050 460 H GLN 71 H GLN 71 19.477 7.583 -29.069 461 HA GLN 71 HA GLN 71 22.193 7.431 -30.277 462 HB2 GLN 71 HB2 GLN 71 19.420 7.660 -31.486 463 HB3 GLN 71 HB3 GLN 71 20.912 7.623 -32.427 464 HG2 GLN 71 HG2 GLN 71 19.927 5.407 -30.573 465 HG3 GLN 71 HG3 GLN 71 19.776 5.424 -32.322 466 HE21 GLN 71 HE21 GLN 71 21.010 3.300 -31.036 467 HE22 GLN 71 HE22 GLN 71 22.716 3.321 -31.520 468 H ASN 72 H ASN 72 19.710 9.892 -29.596 469 HA ASN 72 HA ASN 72 21.427 11.976 -30.882 470 HB2 ASN 72 HB2 ASN 72 18.419 11.823 -31.061 471 HB3 ASN 72 HB3 ASN 72 19.472 12.843 -31.994 472 HD21 ASN 72 HD21 ASN 72 17.805 9.879 -31.951 473 HD22 ASN 72 HD22 ASN 72 18.518 9.203 -33.410 474 H GLU 73 H GLU 73 20.969 11.480 -27.865 475 HA GLU 73 HA GLU 73 19.100 13.078 -26.731 476 HB2 GLU 73 HB2 GLU 73 20.510 13.226 -24.714 477 HB3 GLU 73 HB3 GLU 73 20.512 11.618 -25.377 478 HG2 GLU 73 HG2 GLU 73 22.734 12.076 -26.443 479 HG3 GLU 73 HG3 GLU 73 22.734 13.671 -25.696 480 H ALA 74 H ALA 74 21.855 14.303 -28.342 481 HA ALA 74 HA ALA 74 22.040 16.968 -27.160 482 HB1 ALA 74 HB1 ALA 74 23.875 17.123 -28.827 483 HB2 ALA 74 HB2 ALA 74 23.979 15.587 -27.943 484 HB3 ALA 74 HB3 ALA 74 23.313 15.613 -29.586 485 H ALA 75 H ALA 75 20.261 15.508 -29.781 486 HA ALA 75 HA ALA 75 20.004 18.051 -31.304 487 HB1 ALA 75 HB1 ALA 75 19.812 15.156 -32.214 488 HB2 ALA 75 HB2 ALA 75 19.635 16.587 -33.245 489 HB3 ALA 75 HB3 ALA 75 21.190 16.253 -32.466 490 H VAL 76 H VAL 76 18.438 18.213 -29.286 491 HA VAL 76 HA VAL 76 16.034 16.691 -29.273 492 HB VAL 76 HB VAL 76 16.780 19.318 -27.934 493 HG11 VAL 76 HG11 VAL 76 14.313 19.078 -27.915 494 HG12 VAL 76 HG12 VAL 76 14.480 17.466 -27.195 495 HG13 VAL 76 HG13 VAL 76 15.011 18.920 -26.310 496 HG21 VAL 76 HG21 VAL 76 17.139 17.871 -25.941 497 HG22 VAL 76 HG22 VAL 76 16.759 16.433 -26.917 498 HG23 VAL 76 HG23 VAL 76 18.202 17.404 -27.266 499 H GLY 77 H GLY 77 16.856 19.472 -31.222 500 HA2 GLY 77 HA2 GLY 77 14.254 20.348 -32.027 501 HA3 GLY 77 HA3 GLY 77 15.723 20.344 -33.011 502 H ASN 78 H ASN 78 15.896 17.288 -32.597 503 HA ASN 78 HA ASN 78 14.024 16.508 -34.742 504 HB2 ASN 78 HB2 ASN 78 16.614 16.166 -34.716 505 HB3 ASN 78 HB3 ASN 78 16.288 14.841 -33.608 506 HD21 ASN 78 HD21 ASN 78 17.339 13.561 -35.384 507 HD22 ASN 78 HD22 ASN 78 16.277 13.009 -36.666 508 H CYS 79 H CYS 79 14.561 15.777 -31.262 509 HA CYS 79 HA CYS 79 11.837 14.826 -31.213 510 HB2 CYS 79 2HB CYS 79 12.223 12.662 -30.129 511 HB3 CYS 79 3HB CYS 79 12.872 12.727 -31.755 512 H ALA 80 H ALA 80 10.812 15.294 -29.310 513 HA ALA 80 HA ALA 80 12.367 16.310 -26.977 514 HB1 ALA 80 HB1 ALA 80 10.477 17.970 -28.701 515 HB2 ALA 80 HB2 ALA 80 11.334 18.517 -27.240 516 HB3 ALA 80 HB3 ALA 80 12.252 18.090 -28.680 517 H GLU 81 H GLU 81 10.618 14.066 -26.894 518 HA GLU 81 HA GLU 81 7.948 14.803 -26.085 519 HB2 GLU 81 HB2 GLU 81 9.316 12.141 -25.744 520 HB3 GLU 81 HB3 GLU 81 7.612 12.493 -25.565 521 HG2 GLU 81 HG2 GLU 81 7.430 13.096 -27.944 522 HG3 GLU 81 HG3 GLU 81 9.151 12.765 -28.170 523 H HIS 82 H HIS 82 10.929 14.771 -24.355 524 HA HIS 82 HA HIS 82 10.253 13.862 -21.816 525 HB2 HIS 82 2HB HIS 82 12.004 15.578 -21.014 526 HB3 HIS 82 3HB HIS 82 12.472 14.254 -22.039 527 HD1 HIS 82 1HD HIS 82 14.568 15.355 -23.094 528 HD2 HIS 82 2HD HIS 82 11.070 17.685 -23.374 529 HE1 HIS 82 1HE HIS 82 15.106 17.277 -24.662 530 H MET 83 H MET 83 8.962 16.726 -23.269 531 HA MET 83 HA MET 83 8.131 17.898 -20.656 532 HB2 MET 83 HB2 MET 83 8.599 19.356 -22.590 533 HB3 MET 83 HB3 MET 83 7.235 18.661 -23.462 534 HG2 MET 83 HG2 MET 83 6.998 20.040 -20.761 535 HG3 MET 83 HG3 MET 83 6.850 20.876 -22.303 536 HE1 MET 83 HE1 MET 83 4.556 21.912 -21.563 537 HE2 MET 83 HE2 MET 83 3.190 20.953 -20.952 538 HE3 MET 83 HE3 MET 83 4.690 21.063 -20.005 539 H ARG 84 H ARG 84 6.533 16.252 -23.428 540 HA ARG 84 HA ARG 84 4.058 15.747 -22.018 541 HB2 ARG 84 HB2 ARG 84 5.282 14.931 -24.617 542 HB3 ARG 84 HB3 ARG 84 4.146 13.790 -23.925 543 HG2 ARG 84 HG2 ARG 84 2.985 15.245 -25.437 544 HG3 ARG 84 HG3 ARG 84 2.392 15.475 -23.796 545 HD2 ARG 84 HD2 ARG 84 3.628 17.611 -23.633 546 HD3 ARG 84 HD3 ARG 84 4.304 17.348 -25.249 547 HE ARG 84 HE ARG 84 1.367 17.256 -25.119 548 HH11 ARG 84 HH11 ARG 84 4.058 19.484 -25.813 549 HH12 ARG 84 HH12 ARG 84 3.045 20.339 -26.962 550 HH21 ARG 84 HH21 ARG 84 0.167 18.670 -26.321 551 HH22 ARG 84 HH22 ARG 84 0.938 20.013 -27.105 552 H ARG 85 H ARG 85 7.111 13.931 -21.989 553 HA ARG 85 HA ARG 85 6.065 11.597 -20.639 554 HB2 ARG 85 HB2 ARG 85 8.828 12.861 -20.590 555 HB3 ARG 85 HB3 ARG 85 8.472 11.330 -19.839 556 HG2 ARG 85 HG2 ARG 85 8.114 11.783 -22.837 557 HG3 ARG 85 HG3 ARG 85 9.592 11.209 -22.079 558 HD2 ARG 85 HD2 ARG 85 8.614 9.250 -22.755 559 HD3 ARG 85 HD3 ARG 85 8.204 9.327 -21.047 560 HE ARG 85 HE ARG 85 6.299 10.240 -23.202 561 HH11 ARG 85 HH11 ARG 85 6.808 8.051 -20.523 562 HH12 ARG 85 HH12 ARG 85 5.183 7.423 -20.589 563 HH21 ARG 85 HH21 ARG 85 4.189 9.525 -23.155 564 HH22 ARG 85 HH22 ARG 85 3.685 8.361 -21.958 565 H PHE 86 H PHE 86 6.628 14.794 -19.325 566 HA PHE 86 HA PHE 86 6.100 13.725 -16.597 567 HB2 PHE 86 HB2 PHE 86 7.639 15.613 -16.772 568 HB3 PHE 86 HB3 PHE 86 6.425 16.571 -17.611 569 HD1 PHE 86 HD1 PHE 86 6.984 14.703 -14.381 570 HD2 PHE 86 HD2 PHE 86 5.010 18.001 -16.346 571 HE1 PHE 86 HE1 PHE 86 6.108 15.487 -12.195 572 HE2 PHE 86 HE2 PHE 86 4.147 18.782 -14.157 573 HZ PHE 86 HZ PHE 86 4.679 17.523 -12.079 574 H LEU 87 H LEU 87 4.511 15.868 -18.988 575 HA LEU 87 HA LEU 87 2.137 16.295 -17.629 576 HB2 LEU 87 HB2 LEU 87 3.105 17.339 -19.809 577 HB3 LEU 87 HB3 LEU 87 2.352 15.983 -20.645 578 HG LEU 87 HG LEU 87 0.122 16.752 -19.619 579 HD11 LEU 87 HD11 LEU 87 -0.003 19.126 -18.965 580 HD12 LEU 87 HD12 LEU 87 1.758 19.277 -19.099 581 HD13 LEU 87 HD13 LEU 87 1.041 18.241 -17.849 582 HD21 LEU 87 HD21 LEU 87 0.725 17.139 -21.975 583 HD22 LEU 87 HD22 LEU 87 1.613 18.615 -21.523 584 HD23 LEU 87 HD23 LEU 87 -0.150 18.530 -21.322 585 H GLN 88 H GLN 88 2.790 13.597 -19.881 586 HA GLN 88 HA GLN 88 0.124 12.517 -19.803 587 HB2 GLN 88 HB2 GLN 88 2.795 11.317 -20.655 588 HB3 GLN 88 HB3 GLN 88 1.246 10.523 -20.895 589 HG2 GLN 88 HG2 GLN 88 1.808 13.284 -22.070 590 HG3 GLN 88 HG3 GLN 88 2.251 11.788 -22.877 591 HE21 GLN 88 HE21 GLN 88 0.810 12.060 -24.637 592 HE22 GLN 88 HE22 GLN 88 -0.925 11.843 -24.398 593 H CYS 89 H CYS 89 3.149 11.578 -18.021 594 HA CYS 89 HA CYS 89 1.784 9.335 -16.807 595 HB2 CYS 89 2HB CYS 89 4.331 10.684 -15.889 596 HB3 CYS 89 3HB CYS 89 3.763 9.064 -15.477 597 H ALA 90 H ALA 90 1.926 12.760 -15.974 598 HA ALA 90 HA ALA 90 0.618 12.416 -13.381 599 HB1 ALA 90 HB1 ALA 90 0.370 14.871 -13.540 600 HB2 ALA 90 HB2 ALA 90 2.034 14.350 -13.874 601 HB3 ALA 90 HB3 ALA 90 0.968 14.819 -15.213 602 H GLU 91 H GLU 91 -0.506 12.516 -16.710 603 HA GLU 91 HA GLU 91 -3.343 12.943 -15.994 604 HB2 GLU 91 HB2 GLU 91 -2.146 14.013 -17.932 605 HB3 GLU 91 HB3 GLU 91 -2.022 12.421 -18.680 606 HG2 GLU 91 HG2 GLU 91 -4.516 12.301 -18.765 607 HG3 GLU 91 HG3 GLU 91 -4.603 13.897 -18.003 608 H GLN 92 H GLN 92 -1.215 10.274 -16.443 609 HA GLN 92 HA GLN 92 -3.401 8.346 -17.032 610 HB2 GLN 92 HB2 GLN 92 -1.493 8.605 -18.557 611 HB3 GLN 92 HB3 GLN 92 -0.370 8.184 -17.259 612 HG2 GLN 92 HG2 GLN 92 -1.222 5.907 -17.182 613 HG3 GLN 92 HG3 GLN 92 -2.550 6.314 -18.266 614 HE21 GLN 92 HE21 GLN 92 -1.778 4.548 -19.705 615 HE22 GLN 92 HE22 GLN 92 -0.304 4.812 -20.651 616 H VAL 93 H VAL 93 -1.232 9.150 -14.391 617 HA VAL 93 HA VAL 93 -2.074 6.690 -12.932 618 HB VAL 93 HB VAL 93 0.754 7.726 -12.676 619 HG11 VAL 93 HG11 VAL 93 -0.142 6.097 -11.010 620 HG12 VAL 93 HG12 VAL 93 -0.518 4.972 -12.338 621 HG13 VAL 93 HG13 VAL 93 1.165 5.401 -11.970 622 HG21 VAL 93 HG21 VAL 93 -0.129 5.656 -14.734 623 HG22 VAL 93 HG22 VAL 93 0.626 7.235 -15.074 624 HG23 VAL 93 HG23 VAL 93 1.547 5.990 -14.246 Start of MODEL 18 1 H TYR 11 H TYR 11 3.696 15.526 -3.776 2 HA TYR 11 HA TYR 11 4.005 13.689 -1.431 3 HB2 TYR 11 HB2 TYR 11 2.789 15.844 -1.008 4 HB3 TYR 11 HB3 TYR 11 1.646 15.431 -2.264 5 HD1 TYR 11 HD2 TYR 11 2.886 14.571 1.131 6 HD2 TYR 11 HD1 TYR 11 -0.189 13.900 -1.827 7 HE1 TYR 11 HE2 TYR 11 1.486 13.380 2.833 8 HE2 TYR 11 HE1 TYR 11 -1.551 12.695 -0.138 9 HH TYR 11 HH TYR 11 -1.666 11.910 1.992 10 H CYS 12 H CYS 12 2.331 11.915 -1.375 11 HA CYS 12 HA CYS 12 1.178 11.192 -4.017 12 HB2 CYS 12 2HB CYS 12 2.978 9.461 -2.315 13 HB3 CYS 12 3HB CYS 12 1.811 8.792 -3.435 14 H GLY 13 H GLY 13 -0.868 10.746 -3.874 15 HA2 GLY 13 HA2 GLY 13 -2.203 9.861 -1.353 16 HA3 GLY 13 HA3 GLY 13 -2.973 10.447 -2.837 17 H ARG 14 H ARG 14 -0.975 8.658 -4.414 18 HA ARG 14 HA ARG 14 -2.418 6.285 -4.755 19 HB2 ARG 14 HB2 ARG 14 -0.574 5.531 -6.019 20 HB3 ARG 14 HB3 ARG 14 -0.673 7.243 -6.238 21 HG2 ARG 14 HG2 ARG 14 1.520 7.531 -5.473 22 HG3 ARG 14 HG3 ARG 14 1.164 6.647 -4.023 23 HD2 ARG 14 HD2 ARG 14 2.893 5.541 -5.139 24 HD3 ARG 14 HD3 ARG 14 1.461 4.525 -5.299 25 HE ARG 14 HE ARG 14 2.592 6.326 -7.446 26 HH11 ARG 14 HH11 ARG 14 0.710 3.377 -6.776 27 HH12 ARG 14 HH12 ARG 14 1.325 2.609 -8.212 28 HH21 ARG 14 HH21 ARG 14 2.987 5.325 -9.465 29 HH22 ARG 14 HH22 ARG 14 2.147 3.829 -9.783 30 H GLU 15 H GLU 15 -0.276 7.004 -2.136 31 HA GLU 15 HA GLU 15 0.232 4.288 -1.255 32 HB2 GLU 15 HB2 GLU 15 1.603 6.433 -0.793 33 HB3 GLU 15 HB3 GLU 15 0.335 6.842 0.367 34 HG2 GLU 15 HG2 GLU 15 0.823 4.513 1.418 35 HG3 GLU 15 HG3 GLU 15 2.258 4.491 0.402 36 H LEU 16 H LEU 16 -2.328 6.669 -0.550 37 HA LEU 16 HA LEU 16 -3.573 5.027 1.527 38 HB2 LEU 16 HB2 LEU 16 -3.907 7.436 1.521 39 HB3 LEU 16 HB3 LEU 16 -4.538 7.392 -0.123 40 HG LEU 16 HG LEU 16 -6.514 6.110 0.632 41 HD11 LEU 16 HD11 LEU 16 -5.335 6.474 3.422 42 HD12 LEU 16 HD12 LEU 16 -5.611 4.924 2.591 43 HD13 LEU 16 HD13 LEU 16 -6.984 5.922 3.070 44 HD21 LEU 16 HD21 LEU 16 -6.031 8.619 2.278 45 HD22 LEU 16 HD22 LEU 16 -7.603 7.921 1.840 46 HD23 LEU 16 HD23 LEU 16 -6.552 8.585 0.580 47 H GLU 17 H GLU 17 -4.029 5.547 -1.994 48 HA GLU 17 HA GLU 17 -6.288 3.837 -2.257 49 HB2 GLU 17 HB2 GLU 17 -5.018 5.527 -3.908 50 HB3 GLU 17 HB3 GLU 17 -4.328 4.047 -4.539 51 HG2 GLU 17 HG2 GLU 17 -7.313 4.650 -4.229 52 HG3 GLU 17 HG3 GLU 17 -6.404 4.888 -5.713 53 H GLN 18 H GLN 18 -2.793 3.025 -2.702 54 HA GLN 18 HA GLN 18 -3.302 0.245 -3.138 55 HB2 GLN 18 HB2 GLN 18 -1.277 1.285 -3.916 56 HB3 GLN 18 HB3 GLN 18 -0.813 1.752 -2.279 57 HG2 GLN 18 HG2 GLN 18 0.540 -0.082 -2.978 58 HG3 GLN 18 HG3 GLN 18 -0.510 -0.643 -1.698 59 HE21 GLN 18 HE21 GLN 18 -2.509 -1.929 -2.467 60 HE22 GLN 18 HE22 GLN 18 -2.256 -2.991 -3.832 61 H TYR 19 H TYR 19 -2.619 2.028 -0.062 62 HA TYR 19 HA TYR 19 -2.460 -0.349 1.565 63 HB2 TYR 19 HB2 TYR 19 -1.680 1.831 2.331 64 HB3 TYR 19 HB3 TYR 19 -3.315 2.484 2.260 65 HD1 TYR 19 HD1 TYR 19 -1.092 0.047 4.025 66 HD2 TYR 19 HD2 TYR 19 -4.893 2.102 4.061 67 HE1 TYR 19 HE1 TYR 19 -1.505 -0.751 6.338 68 HE2 TYR 19 HE2 TYR 19 -5.302 1.274 6.379 69 HH TYR 19 HH TYR 19 -2.941 -0.844 8.056 70 H GLY 20 H GLY 20 -5.231 1.794 0.720 71 HA2 GLY 20 HA2 GLY 20 -7.298 0.420 2.052 72 HA3 GLY 20 HA3 GLY 20 -7.466 1.323 0.535 73 H GLN 21 H GLN 21 -5.904 -0.266 -1.233 74 HA GLN 21 HA GLN 21 -7.658 -2.455 -1.761 75 HB2 GLN 21 HB2 GLN 21 -5.988 -1.132 -3.334 76 HB3 GLN 21 HB3 GLN 21 -4.796 -2.321 -2.798 77 HG2 GLN 21 HG2 GLN 21 -5.851 -2.956 -4.943 78 HG3 GLN 21 HG3 GLN 21 -6.136 -4.146 -3.680 79 HE21 GLN 21 HE21 GLN 21 -7.982 -4.974 -4.820 80 HE22 GLN 21 HE22 GLN 21 -9.511 -4.084 -4.725 81 H CYS 22 H CYS 22 -4.519 -2.346 -0.115 82 HA CYS 22 HA CYS 22 -4.348 -5.221 0.073 83 HB2 CYS 22 2HB CYS 22 -2.708 -2.954 1.189 84 HB3 CYS 22 3HB CYS 22 -2.352 -4.655 1.518 85 H VAL 23 H VAL 23 -5.772 -2.785 2.221 86 HA VAL 23 HA VAL 23 -6.243 -4.850 4.305 87 HB VAL 23 HB VAL 23 -7.257 -1.988 4.080 88 HG11 VAL 23 HG11 VAL 23 -7.813 -2.260 6.502 89 HG12 VAL 23 HG12 VAL 23 -8.791 -3.309 5.480 90 HG13 VAL 23 HG13 VAL 23 -7.418 -3.988 6.383 91 HG21 VAL 23 HG21 VAL 23 -5.640 -1.559 5.910 92 HG22 VAL 23 HG22 VAL 23 -5.042 -3.226 5.781 93 HG23 VAL 23 HG23 VAL 23 -4.815 -2.078 4.442 94 H ALA 24 H ALA 24 -8.207 -3.152 1.804 95 HA ALA 24 HA ALA 24 -10.656 -4.319 2.642 96 HB1 ALA 24 HB1 ALA 24 -9.901 -3.167 -0.074 97 HB2 ALA 24 HB2 ALA 24 -11.542 -3.418 0.553 98 HB3 ALA 24 HB3 ALA 24 -10.475 -2.239 1.335 99 H ALA 25 H ALA 25 -8.183 -5.641 0.444 100 HA ALA 25 HA ALA 25 -9.877 -7.736 -0.613 101 HB1 ALA 25 HB1 ALA 25 -7.813 -7.059 -1.723 102 HB2 ALA 25 HB2 ALA 25 -6.847 -7.520 -0.304 103 HB3 ALA 25 HB3 ALA 25 -7.696 -8.766 -1.243 104 H LYS 26 H LYS 26 -7.427 -7.770 1.996 105 HA LYS 26 HA LYS 26 -8.915 -9.686 3.648 106 HB2 LYS 26 HB2 LYS 26 -6.067 -10.217 2.668 107 HB3 LYS 26 HB3 LYS 26 -6.876 -11.124 3.942 108 HG2 LYS 26 HG2 LYS 26 -8.506 -12.007 2.322 109 HG3 LYS 26 HG3 LYS 26 -7.724 -11.085 1.016 110 HD2 LYS 26 HD2 LYS 26 -5.609 -12.271 1.379 111 HD3 LYS 26 HD3 LYS 26 -6.328 -13.185 2.725 112 HE2 LYS 26 HE2 LYS 26 -7.963 -14.202 1.196 113 HE3 LYS 26 HE3 LYS 26 -7.325 -13.256 -0.158 114 HZ1 LYS 26 HZ1 LYS 26 -5.218 -14.406 0.073 115 HZ2 LYS 26 HZ2 LYS 26 -6.412 -15.525 -0.075 116 HZ3 LYS 26 HZ3 LYS 26 -5.747 -15.240 1.393 117 HA PRO 27 HA PRO 27 -6.598 -7.099 6.659 118 HB2 PRO 27 HB2 PRO 27 -6.474 -8.736 8.847 119 HB3 PRO 27 HB3 PRO 27 -7.971 -7.895 8.350 120 HG2 PRO 27 HG2 PRO 27 -7.153 -10.755 7.735 121 HG3 PRO 27 HG3 PRO 27 -8.712 -10.156 8.382 122 HD2 PRO 27 HD2 PRO 27 -8.359 -10.687 5.731 123 HD3 PRO 27 HD3 PRO 27 -9.379 -9.325 6.271 124 H GLU 28 H GLU 28 -5.681 -10.304 5.599 125 HA GLU 28 HA GLU 28 -2.876 -10.132 6.430 126 HB2 GLU 28 HB2 GLU 28 -4.224 -12.017 4.461 127 HB3 GLU 28 HB3 GLU 28 -2.640 -12.220 5.216 128 HG2 GLU 28 HG2 GLU 28 -3.787 -12.335 7.458 129 HG3 GLU 28 HG3 GLU 28 -5.345 -12.333 6.606 130 H SER 29 H SER 29 -4.659 -8.864 3.672 131 HA SER 29 HA SER 29 -2.592 -9.404 1.720 132 HB2 SER 29 HB2 SER 29 -5.213 -8.011 1.702 133 HB3 SER 29 HB3 SER 29 -4.031 -7.523 0.471 134 HG SER 29 HG SER 29 -4.472 -9.275 -0.532 135 H TRP 30 H TRP 30 -2.860 -6.942 4.095 136 HA TRP 30 HA TRP 30 -0.966 -5.053 3.103 137 HB2 TRP 30 HB2 TRP 30 -2.297 -4.822 5.163 138 HB3 TRP 30 HB3 TRP 30 -1.430 -6.168 5.894 139 HD1 TRP 30 HD1 TRP 30 -0.744 -2.601 4.581 140 HE1 TRP 30 HE1 TRP 30 1.158 -1.541 5.946 141 HE3 TRP 30 HE3 TRP 30 0.492 -6.639 7.483 142 HZ2 TRP 30 HZ2 TRP 30 2.866 -2.309 8.131 143 HZ3 TRP 30 HZ3 TRP 30 2.250 -6.433 9.229 144 HH2 TRP 30 HH2 TRP 30 3.435 -4.276 9.570 145 H GLN 31 H GLN 31 -0.453 -8.354 4.338 146 HA GLN 31 HA GLN 31 2.461 -8.166 3.778 147 HB2 GLN 31 HB2 GLN 31 0.788 -10.498 4.788 148 HB3 GLN 31 HB3 GLN 31 2.534 -10.493 4.541 149 HG2 GLN 31 HG2 GLN 31 2.778 -8.706 6.262 150 HG3 GLN 31 HG3 GLN 31 1.029 -8.741 6.531 151 HE21 GLN 31 HE21 GLN 31 0.341 -10.092 8.236 152 HE22 GLN 31 HE22 GLN 31 1.233 -11.552 8.692 153 H ARG 32 H ARG 32 -0.452 -9.910 2.592 154 HA ARG 32 HA ARG 32 1.090 -11.437 0.704 155 HB2 ARG 32 HB2 ARG 32 -1.939 -11.165 0.739 156 HB3 ARG 32 HB3 ARG 32 -0.985 -12.407 -0.043 157 HG2 ARG 32 HG2 ARG 32 -0.122 -13.096 2.245 158 HG3 ARG 32 HG3 ARG 32 -1.306 -11.992 2.949 159 HD2 ARG 32 HD2 ARG 32 -3.117 -13.169 1.694 160 HD3 ARG 32 HD3 ARG 32 -1.929 -14.321 1.077 161 HE ARG 32 HE ARG 32 -3.156 -14.271 3.725 162 HH11 ARG 32 HH11 ARG 32 -0.323 -15.534 2.024 163 HH12 ARG 32 HH12 ARG 32 -0.212 -16.852 3.173 164 HH21 ARG 32 HH21 ARG 32 -2.897 -15.833 5.042 165 HH22 ARG 32 HH22 ARG 32 -1.616 -17.029 4.884 166 H ASP 33 H ASP 33 -0.663 -8.424 0.175 167 HA ASP 33 HA ASP 33 -0.368 -8.761 -2.784 168 HB2 ASP 33 HB2 ASP 33 -2.336 -7.266 -1.056 169 HB3 ASP 33 HB3 ASP 33 -2.013 -6.704 -2.683 170 H CYS 34 H CYS 34 0.352 -6.306 -0.199 171 HA CYS 34 HA CYS 34 2.472 -5.337 -2.050 172 HB2 CYS 34 2HB CYS 34 1.747 -3.048 -1.856 173 HB3 CYS 34 3HB CYS 34 0.491 -4.027 -2.588 174 H HIS 35 H HIS 35 4.011 -6.272 -0.543 175 HA HIS 35 HA HIS 35 4.471 -4.590 1.866 176 HB2 HIS 35 2HB HIS 35 4.916 -7.017 1.956 177 HB3 HIS 35 3HB HIS 35 6.232 -6.798 0.798 178 HD1 HIS 35 1HD HIS 35 5.287 -5.956 4.447 179 HD2 HIS 35 2HD HIS 35 8.443 -5.459 1.698 180 HE1 HIS 35 1HE HIS 35 7.250 -5.059 5.771 181 H TYR 36 H TYR 36 6.546 -5.343 -1.042 182 HA TYR 36 HA TYR 36 7.943 -2.804 -0.683 183 HB2 TYR 36 HB2 TYR 36 9.026 -4.889 -1.532 184 HB3 TYR 36 HB3 TYR 36 8.109 -4.709 -3.032 185 HD1 TYR 36 HD1 TYR 36 10.455 -2.886 -0.729 186 HD2 TYR 36 HD2 TYR 36 9.028 -3.341 -4.779 187 HE1 TYR 36 HE1 TYR 36 12.119 -1.213 -1.505 188 HE2 TYR 36 HE2 TYR 36 10.718 -1.692 -5.554 189 HH TYR 36 HH TYR 36 12.408 -0.275 -4.952 190 H LEU 37 H LEU 37 5.319 -3.987 -2.756 191 HA LEU 37 HA LEU 37 4.978 -1.550 -4.255 192 HB2 LEU 37 HB2 LEU 37 3.374 -4.039 -3.705 193 HB3 LEU 37 HB3 LEU 37 2.471 -2.623 -4.195 194 HG LEU 37 HG LEU 37 3.803 -2.405 -6.248 195 HD11 LEU 37 HD11 LEU 37 5.238 -4.298 -6.975 196 HD12 LEU 37 HD12 LEU 37 5.115 -5.005 -5.349 197 HD13 LEU 37 HD13 LEU 37 5.927 -3.441 -5.594 198 HD21 LEU 37 HD21 LEU 37 2.620 -5.181 -5.807 199 HD22 LEU 37 HD22 LEU 37 2.864 -4.385 -7.377 200 HD23 LEU 37 HD23 LEU 37 1.705 -3.713 -6.221 201 H LYS 38 H LYS 38 4.406 -2.122 -0.906 202 HA LYS 38 HA LYS 38 2.983 0.497 -0.746 203 HB2 LYS 38 HB2 LYS 38 2.154 -1.261 0.777 204 HB3 LYS 38 HB3 LYS 38 3.768 -1.495 1.430 205 HG2 LYS 38 HG2 LYS 38 2.379 -0.285 2.975 206 HG3 LYS 38 HG3 LYS 38 3.723 0.734 2.466 207 HD2 LYS 38 HD2 LYS 38 2.308 2.153 1.172 208 HD3 LYS 38 HD3 LYS 38 1.028 0.934 1.089 209 HE2 LYS 38 HE2 LYS 38 0.278 2.646 2.598 210 HE3 LYS 38 HE3 LYS 38 0.605 1.171 3.517 211 HZ1 LYS 38 HZ1 LYS 38 2.721 2.164 4.210 212 HZ2 LYS 38 HZ2 LYS 38 1.441 3.028 4.692 213 HZ3 LYS 38 HZ3 LYS 38 2.327 3.591 3.448 214 H MET 39 H MET 39 6.127 -0.991 0.079 215 HA MET 39 HA MET 39 7.197 1.261 1.303 216 HB2 MET 39 HB2 MET 39 8.140 -1.082 1.262 217 HB3 MET 39 HB3 MET 39 8.795 -0.731 -0.345 218 HG2 MET 39 HG2 MET 39 10.499 -0.405 1.341 219 HG3 MET 39 HG3 MET 39 10.110 1.147 0.608 220 HE1 MET 39 HE1 MET 39 11.493 2.222 2.655 221 HE2 MET 39 HE2 MET 39 11.099 1.927 4.367 222 HE3 MET 39 HE3 MET 39 11.734 0.608 3.361 223 H SER 40 H SER 40 7.664 0.502 -2.258 224 HA SER 40 HA SER 40 9.265 2.941 -2.499 225 HB2 SER 40 HB2 SER 40 9.422 0.776 -3.928 226 HB3 SER 40 HB3 SER 40 8.152 1.535 -4.914 227 HG SER 40 HG SER 40 9.919 2.415 -5.777 228 H ILE 41 H ILE 41 5.937 2.321 -2.618 229 HA ILE 41 HA ILE 41 4.941 4.780 -3.977 230 HB ILE 41 HB ILE 41 3.839 2.372 -2.480 231 HG12 ILE 41 HG12 ILE 41 2.586 2.017 -4.586 232 HG13 ILE 41 HG13 ILE 41 3.439 3.372 -5.327 233 HG21 ILE 41 HG21 ILE 41 2.407 3.888 -1.628 234 HG22 ILE 41 HG22 ILE 41 2.395 4.937 -3.041 235 HG23 ILE 41 HG23 ILE 41 1.536 3.369 -3.068 236 HD11 ILE 41 HD11 ILE 41 4.965 1.069 -4.131 237 HD12 ILE 41 HD12 ILE 41 4.337 1.028 -5.807 238 HD13 ILE 41 HD13 ILE 41 5.496 2.275 -5.311 239 H ALA 42 H ALA 42 5.480 3.517 -0.636 240 HA ALA 42 HA ALA 42 4.552 5.880 0.537 241 HB1 ALA 42 HB1 ALA 42 6.415 3.714 1.625 242 HB2 ALA 42 HB2 ALA 42 5.609 4.936 2.612 243 HB3 ALA 42 HB3 ALA 42 4.640 3.741 1.741 244 H GLN 43 H GLN 43 7.813 4.909 -0.497 245 HA GLN 43 HA GLN 43 9.213 7.249 0.395 246 HB2 GLN 43 HB2 GLN 43 9.723 5.361 -1.951 247 HB3 GLN 43 HB3 GLN 43 10.824 6.652 -1.455 248 HG2 GLN 43 HG2 GLN 43 11.008 5.625 0.803 249 HG3 GLN 43 HG3 GLN 43 10.001 4.285 0.283 250 HE21 GLN 43 HE21 GLN 43 13.171 5.898 -0.261 251 HE22 GLN 43 HE22 GLN 43 13.938 4.446 -0.883 252 H CYS 44 H CYS 44 6.994 6.885 -2.406 253 HA CYS 44 HA CYS 44 7.948 9.365 -3.583 254 HB2 CYS 44 2HB CYS 44 6.524 9.063 -5.288 255 HB3 CYS 44 3HB CYS 44 6.863 7.423 -4.795 256 H THR 45 H THR 45 5.441 8.571 -1.213 257 HA THR 45 HA THR 45 4.516 11.287 -0.857 258 HB THR 45 HB THR 45 4.747 9.293 1.405 259 HG1 THR 45 HG1 THR 45 3.081 8.185 0.699 260 HG21 THR 45 HG21 THR 45 2.681 10.312 2.149 261 HG22 THR 45 HG22 THR 45 2.520 11.222 0.634 262 HG23 THR 45 HG23 THR 45 3.810 11.617 1.792 263 H SER 46 H SER 46 7.217 9.415 0.567 264 HA SER 46 HA SER 46 7.994 11.529 2.360 265 HB2 SER 46 HB2 SER 46 8.400 8.951 2.526 266 HB3 SER 46 HB3 SER 46 9.895 9.334 1.649 267 HG SER 46 HG SER 46 9.067 9.947 4.235 268 H SER 47 H SER 47 8.106 11.848 -0.789 269 HA SER 47 HA SER 47 10.604 13.363 -1.047 270 HB2 SER 47 HB2 SER 47 8.048 13.195 -2.672 271 HB3 SER 47 HB3 SER 47 9.311 14.401 -2.994 272 HG SER 47 HG SER 47 10.300 12.931 -4.031 273 H HIS 48 H HIS 48 7.551 13.881 0.573 274 HA HIS 48 HA HIS 48 8.263 16.712 1.130 275 HB2 HIS 48 2HB HIS 48 6.040 14.850 1.987 276 HB3 HIS 48 3HB HIS 48 6.503 16.167 3.048 277 HD1 HIS 48 1HD HIS 48 5.648 16.012 -0.723 278 HD2 HIS 48 2HD HIS 48 5.026 18.238 2.783 279 HE1 HIS 48 1HE HIS 48 4.065 17.945 -1.351 280 HA PRO 49 HA PRO 49 10.623 15.422 4.851 281 HB2 PRO 49 HB2 PRO 49 10.241 17.584 6.461 282 HB3 PRO 49 HB3 PRO 49 11.331 17.644 5.041 283 HG2 PRO 49 HG2 PRO 49 8.439 18.566 5.216 284 HG3 PRO 49 HG3 PRO 49 9.843 19.465 4.565 285 HD2 PRO 49 HD2 PRO 49 8.131 18.070 2.966 286 HD3 PRO 49 HD3 PRO 49 9.874 18.182 2.597 287 H ILE 50 H ILE 50 9.923 14.476 6.879 288 HA ILE 50 HA ILE 50 7.050 14.050 7.132 289 HB ILE 50 HB ILE 50 7.474 12.647 8.985 290 HG12 ILE 50 HG12 ILE 50 10.418 13.427 8.944 291 HG13 ILE 50 HG13 ILE 50 9.248 14.009 10.125 292 HG21 ILE 50 HG21 ILE 50 8.709 10.913 7.896 293 HG22 ILE 50 HG22 ILE 50 7.947 11.871 6.620 294 HG23 ILE 50 HG23 ILE 50 9.670 12.073 6.968 295 HD11 ILE 50 HD11 ILE 50 10.503 12.198 11.091 296 HD12 ILE 50 HD12 ILE 50 8.817 11.692 10.873 297 HD13 ILE 50 HD13 ILE 50 10.081 11.113 9.759 298 H ILE 51 H ILE 51 9.259 16.328 8.435 299 HA ILE 51 HA ILE 51 9.187 18.002 9.892 300 HB ILE 51 HB ILE 51 6.159 17.979 9.868 301 HG12 ILE 51 HG12 ILE 51 8.083 19.279 7.881 302 HG13 ILE 51 HG13 ILE 51 6.924 17.996 7.528 303 HG21 ILE 51 HG21 ILE 51 8.207 20.219 10.269 304 HG22 ILE 51 HG22 ILE 51 6.445 20.347 10.454 305 HG23 ILE 51 HG23 ILE 51 7.379 19.379 11.589 306 HD11 ILE 51 HD11 ILE 51 6.252 20.866 8.229 307 HD12 ILE 51 HD12 ILE 51 5.990 20.010 6.703 308 HD13 ILE 51 HD13 ILE 51 5.055 19.549 8.139 309 H ARG 52 H ARG 52 10.181 16.364 11.164 310 HA ARG 52 HA ARG 52 8.913 14.562 12.864 311 HB2 ARG 52 HB2 ARG 52 11.307 14.577 12.166 312 HB3 ARG 52 HB3 ARG 52 11.621 15.853 13.353 313 HG2 ARG 52 HG2 ARG 52 10.958 14.353 15.182 314 HG3 ARG 52 HG3 ARG 52 10.433 13.118 14.028 315 HD2 ARG 52 HD2 ARG 52 12.573 12.468 14.935 316 HD3 ARG 52 HD3 ARG 52 12.767 12.869 13.235 317 HE ARG 52 HE ARG 52 14.122 14.665 13.789 318 HH11 ARG 52 HH11 ARG 52 12.639 13.612 16.840 319 HH12 ARG 52 HH12 ARG 52 13.828 14.506 17.765 320 HH21 ARG 52 HH21 ARG 52 15.479 15.768 15.047 321 HH22 ARG 52 HH22 ARG 52 15.471 15.563 16.790 322 H GLN 53 H GLN 53 9.469 17.988 13.593 323 HA GLN 53 HA GLN 53 8.812 17.710 16.406 324 HB2 GLN 53 HB2 GLN 53 10.242 19.469 15.365 325 HB3 GLN 53 HB3 GLN 53 8.790 20.223 14.684 326 HG2 GLN 53 HG2 GLN 53 7.975 20.821 16.844 327 HG3 GLN 53 HG3 GLN 53 8.992 19.621 17.643 328 HE21 GLN 53 HE21 GLN 53 9.724 21.252 19.109 329 HE22 GLN 53 HE22 GLN 53 10.977 22.387 18.605 330 H ILE 54 H ILE 54 6.849 17.972 13.529 331 HA ILE 54 HA ILE 54 4.328 18.397 15.044 332 HB ILE 54 HB ILE 54 4.939 17.991 12.098 333 HG12 ILE 54 HG12 ILE 54 5.606 20.209 12.947 334 HG13 ILE 54 HG13 ILE 54 4.301 20.291 11.785 335 HG21 ILE 54 HG21 ILE 54 2.568 18.581 11.660 336 HG22 ILE 54 HG22 ILE 54 2.758 17.022 12.457 337 HG23 ILE 54 HG23 ILE 54 2.230 18.433 13.396 338 HD11 ILE 54 HD11 ILE 54 4.005 20.597 14.806 339 HD12 ILE 54 HD12 ILE 54 3.965 21.888 13.595 340 HD13 ILE 54 HD13 ILE 54 2.672 20.684 13.628 341 H ARG 55 H ARG 55 6.145 15.786 13.437 342 HA ARG 55 HA ARG 55 4.176 13.744 13.901 343 HB2 ARG 55 HB2 ARG 55 7.156 13.462 13.429 344 HB3 ARG 55 HB3 ARG 55 6.029 12.123 13.474 345 HG2 ARG 55 HG2 ARG 55 5.003 14.161 11.642 346 HG3 ARG 55 HG3 ARG 55 6.686 13.806 11.276 347 HD2 ARG 55 HD2 ARG 55 5.116 12.467 9.954 348 HD3 ARG 55 HD3 ARG 55 6.214 11.475 10.918 349 HE ARG 55 HE ARG 55 3.930 11.696 12.507 350 HH11 ARG 55 HH11 ARG 55 4.397 10.457 9.228 351 HH12 ARG 55 HH12 ARG 55 3.424 9.036 9.602 352 HH21 ARG 55 HH21 ARG 55 2.595 10.011 12.768 353 HH22 ARG 55 HH22 ARG 55 2.227 8.934 11.451 354 H GLN 56 H GLN 56 6.337 15.166 16.126 355 HA GLN 56 HA GLN 56 6.670 13.446 18.234 356 HB2 GLN 56 HB2 GLN 56 7.389 15.730 18.201 357 HB3 GLN 56 HB3 GLN 56 5.757 16.343 18.103 358 HG2 GLN 56 HG2 GLN 56 6.647 14.755 20.536 359 HG3 GLN 56 HG3 GLN 56 7.100 16.445 20.359 360 HE21 GLN 56 HE21 GLN 56 5.022 14.824 22.133 361 HE22 GLN 56 HE22 GLN 56 3.607 15.880 22.014 362 H ALA 57 H ALA 57 3.479 14.460 17.083 363 HA ALA 57 HA ALA 57 1.889 13.743 19.299 364 HB1 ALA 57 HB1 ALA 57 1.302 13.544 16.312 365 HB2 ALA 57 HB2 ALA 57 0.101 13.648 17.620 366 HB3 ALA 57 HB3 ALA 57 1.166 15.023 17.291 367 H CYS 58 H CYS 58 3.946 11.539 17.792 368 HA CYS 58 HA CYS 58 2.468 9.190 17.416 369 HB2 CYS 58 2HB CYS 58 4.607 8.040 17.757 370 HB3 CYS 58 3HB CYS 58 4.770 9.459 16.741 371 H ALA 59 H ALA 59 1.335 7.855 18.691 372 HA ALA 59 HA ALA 59 1.415 8.326 21.647 373 HB1 ALA 59 HB1 ALA 59 -0.561 9.183 20.452 374 HB2 ALA 59 HB2 ALA 59 -0.894 7.552 19.821 375 HB3 ALA 59 HB3 ALA 59 -0.986 7.870 21.566 376 H GLN 60 H GLN 60 1.136 5.662 19.222 377 HA GLN 60 HA GLN 60 0.822 3.598 21.178 378 HB2 GLN 60 HB2 GLN 60 2.211 3.322 18.489 379 HB3 GLN 60 HB3 GLN 60 1.624 2.034 19.511 380 HG2 GLN 60 HG2 GLN 60 0.062 4.002 17.867 381 HG3 GLN 60 HG3 GLN 60 0.026 2.251 17.807 382 HE21 GLN 60 HE21 GLN 60 -0.872 1.192 19.985 383 HE22 GLN 60 HE22 GLN 60 -2.330 1.996 20.575 384 HA PRO 61 HA PRO 61 5.682 3.291 21.411 385 HB2 PRO 61 HB2 PRO 61 6.231 6.262 21.234 386 HB3 PRO 61 HB3 PRO 61 7.298 4.895 20.798 387 HG2 PRO 61 HG2 PRO 61 5.997 6.243 18.855 388 HG3 PRO 61 HG3 PRO 61 6.015 4.447 18.804 389 HD2 PRO 61 HD2 PRO 61 3.852 6.285 19.846 390 HD3 PRO 61 HD3 PRO 61 3.703 4.889 18.742 391 H PHE 62 H PHE 62 3.725 5.985 22.653 392 HA PHE 62 HA PHE 62 4.989 5.984 25.300 393 HB2 PHE 62 HB2 PHE 62 2.787 7.538 23.932 394 HB3 PHE 62 HB3 PHE 62 2.872 7.516 25.686 395 HD1 PHE 62 HD2 PHE 62 4.917 8.317 22.632 396 HD2 PHE 62 HD1 PHE 62 4.361 8.886 26.875 397 HE1 PHE 62 HE2 PHE 62 6.722 10.024 22.645 398 HE2 PHE 62 HE1 PHE 62 6.136 10.610 26.870 399 HZ PHE 62 HZ PHE 62 7.337 11.163 24.773 400 H GLU 63 H GLU 63 2.323 4.229 23.809 401 HA GLU 63 HA GLU 63 1.411 3.195 26.440 402 HB2 GLU 63 HB2 GLU 63 0.885 2.135 23.633 403 HB3 GLU 63 HB3 GLU 63 0.137 1.583 25.124 404 HG2 GLU 63 HG2 GLU 63 -0.213 4.284 23.780 405 HG3 GLU 63 HG3 GLU 63 -1.417 3.012 23.965 406 H ALA 64 H ALA 64 3.506 2.099 23.746 407 HA ALA 64 HA ALA 64 4.039 -0.462 24.818 408 HB1 ALA 64 HB1 ALA 64 5.704 1.254 22.922 409 HB2 ALA 64 HB2 ALA 64 5.797 -0.506 23.116 410 HB3 ALA 64 HB3 ALA 64 4.326 0.229 22.453 411 H PHE 65 H PHE 65 5.542 2.592 25.692 412 HA PHE 65 HA PHE 65 7.739 1.340 27.251 413 HB2 PHE 65 HB2 PHE 65 8.494 3.452 26.909 414 HB3 PHE 65 HB3 PHE 65 6.919 4.031 26.403 415 HD1 PHE 65 HD2 PHE 65 8.903 3.269 29.500 416 HD2 PHE 65 HD1 PHE 65 5.602 5.443 27.787 417 HE1 PHE 65 HE2 PHE 65 8.616 4.526 31.632 418 HE2 PHE 65 HE1 PHE 65 5.337 6.711 29.900 419 HZ PHE 65 HZ PHE 65 6.835 6.248 31.827 420 H GLU 66 H GLU 66 4.546 2.857 27.872 421 HA GLU 66 HA GLU 66 4.981 2.664 30.674 422 HB2 GLU 66 HB2 GLU 66 3.201 3.977 30.870 423 HB3 GLU 66 HB3 GLU 66 3.563 4.274 29.208 424 HG2 GLU 66 HG2 GLU 66 1.250 4.013 29.161 425 HG3 GLU 66 HG3 GLU 66 1.762 2.400 28.705 426 H GLU 67 H GLU 67 3.446 0.456 28.384 427 HA GLU 67 HA GLU 67 2.529 -1.409 30.401 428 HB2 GLU 67 HB2 GLU 67 2.953 -1.695 27.417 429 HB3 GLU 67 HB3 GLU 67 2.421 -3.020 28.465 430 HG2 GLU 67 HG2 GLU 67 0.564 -1.491 29.305 431 HG3 GLU 67 HG3 GLU 67 0.961 -0.402 27.972 432 H CYS 68 H CYS 68 5.776 -0.825 29.176 433 HA CYS 68 HA CYS 68 6.835 -3.397 30.058 434 HB2 CYS 68 2HB CYS 68 8.195 -0.680 29.884 435 HB3 CYS 68 3HB CYS 68 8.972 -2.187 30.321 436 H LEU 69 H LEU 69 6.816 -0.148 31.659 437 HA LEU 69 HA LEU 69 7.520 -1.172 34.201 438 HB2 LEU 69 HB2 LEU 69 6.346 1.493 33.302 439 HB3 LEU 69 HB3 LEU 69 6.905 1.171 34.929 440 HG LEU 69 HG LEU 69 8.457 2.524 33.682 441 HD11 LEU 69 HD11 LEU 69 9.650 -0.193 34.343 442 HD12 LEU 69 HD12 LEU 69 9.332 1.140 35.486 443 HD13 LEU 69 HD13 LEU 69 10.525 1.347 34.209 444 HD21 LEU 69 HD21 LEU 69 9.127 0.146 31.923 445 HD22 LEU 69 HD22 LEU 69 9.859 1.753 31.909 446 HD23 LEU 69 HD23 LEU 69 8.175 1.569 31.408 447 H ARG 70 H ARG 70 4.313 -0.660 32.780 448 HA ARG 70 HA ARG 70 2.778 -0.708 35.190 449 HB2 ARG 70 HB2 ARG 70 2.028 -0.024 32.929 450 HB3 ARG 70 HB3 ARG 70 2.013 -1.723 32.434 451 HG2 ARG 70 HG2 ARG 70 0.148 -2.173 33.930 452 HG3 ARG 70 HG3 ARG 70 0.322 -0.567 34.694 453 HD2 ARG 70 HD2 ARG 70 -0.105 0.518 32.522 454 HD3 ARG 70 HD3 ARG 70 -0.324 -1.055 31.750 455 HE ARG 70 HE ARG 70 -2.226 -1.287 33.577 456 HH11 ARG 70 HH11 ARG 70 -1.544 1.658 31.694 457 HH12 ARG 70 HH12 ARG 70 -3.211 2.193 31.942 458 HH21 ARG 70 HH21 ARG 70 -4.343 -0.475 33.646 459 HH22 ARG 70 HH22 ARG 70 -4.612 1.127 32.975 460 H GLN 71 H GLN 71 4.072 -3.356 33.242 461 HA GLN 71 HA GLN 71 3.035 -5.359 35.206 462 HB2 GLN 71 HB2 GLN 71 4.220 -5.661 32.429 463 HB3 GLN 71 HB3 GLN 71 3.751 -7.007 33.483 464 HG2 GLN 71 HG2 GLN 71 1.412 -6.155 33.511 465 HG3 GLN 71 HG3 GLN 71 1.868 -4.843 32.421 466 HE21 GLN 71 HE21 GLN 71 -0.094 -6.072 31.258 467 HE22 GLN 71 HE22 GLN 71 0.422 -7.402 30.216 468 H ASN 72 H ASN 72 6.044 -3.821 34.240 469 HA ASN 72 HA ASN 72 7.586 -5.464 36.168 470 HB2 ASN 72 HB2 ASN 72 8.712 -4.773 33.448 471 HB3 ASN 72 HB3 ASN 72 9.303 -5.923 34.608 472 HD21 ASN 72 HD21 ASN 72 6.819 -5.227 32.235 473 HD22 ASN 72 HD22 ASN 72 6.404 -6.921 31.914 474 H GLU 73 H GLU 73 6.997 -3.095 37.196 475 HA GLU 73 HA GLU 73 8.271 -0.791 36.125 476 HB2 GLU 73 HB2 GLU 73 6.472 -0.827 37.910 477 HB3 GLU 73 HB3 GLU 73 7.670 -1.383 39.074 478 HG2 GLU 73 HG2 GLU 73 8.941 0.707 38.813 479 HG3 GLU 73 HG3 GLU 73 7.867 1.229 37.514 480 H ALA 74 H ALA 74 9.566 -3.417 38.123 481 HA ALA 74 HA ALA 74 12.008 -1.971 38.882 482 HB1 ALA 74 HB1 ALA 74 11.060 -4.815 39.404 483 HB2 ALA 74 HB2 ALA 74 12.384 -3.979 40.240 484 HB3 ALA 74 HB3 ALA 74 10.711 -3.416 40.448 485 H ALA 75 H ALA 75 11.111 -4.262 36.366 486 HA ALA 75 HA ALA 75 13.881 -5.289 36.127 487 HB1 ALA 75 HB1 ALA 75 12.979 -7.121 34.903 488 HB2 ALA 75 HB2 ALA 75 11.982 -6.887 36.351 489 HB3 ALA 75 HB3 ALA 75 11.401 -6.342 34.756 490 H VAL 76 H VAL 76 13.971 -2.806 35.439 491 HA VAL 76 HA VAL 76 13.295 -2.099 32.769 492 HB VAL 76 HB VAL 76 15.420 -0.818 34.530 493 HG11 VAL 76 HG11 VAL 76 14.753 1.276 33.422 494 HG12 VAL 76 HG12 VAL 76 15.299 0.109 32.221 495 HG13 VAL 76 HG13 VAL 76 13.557 0.396 32.449 496 HG21 VAL 76 HG21 VAL 76 12.398 -0.389 34.575 497 HG22 VAL 76 HG22 VAL 76 13.414 -0.972 35.915 498 HG23 VAL 76 HG23 VAL 76 13.583 0.681 35.352 499 H GLY 77 H GLY 77 15.981 -3.953 33.997 500 HA2 GLY 77 HA2 GLY 77 17.872 -3.759 31.894 501 HA3 GLY 77 HA3 GLY 77 17.537 -5.192 32.855 502 H ASN 78 H ASN 78 14.660 -5.308 31.881 503 HA ASN 78 HA ASN 78 15.216 -6.554 29.238 504 HB2 ASN 78 HB2 ASN 78 12.767 -6.841 31.004 505 HB3 ASN 78 HB3 ASN 78 13.182 -7.800 29.584 506 HD21 ASN 78 HD21 ASN 78 15.384 -9.024 29.769 507 HD22 ASN 78 HD22 ASN 78 15.694 -9.692 31.362 508 H CYS 79 H CYS 79 13.819 -3.614 30.374 509 HA CYS 79 HA CYS 79 13.401 -2.754 27.660 510 HB2 CYS 79 2HB CYS 79 11.221 -3.801 27.889 511 HB3 CYS 79 3HB CYS 79 11.012 -3.129 29.503 512 H ALA 80 H ALA 80 13.987 -0.616 27.626 513 HA ALA 80 HA ALA 80 14.043 0.900 30.181 514 HB1 ALA 80 HB1 ALA 80 15.947 2.085 29.218 515 HB2 ALA 80 HB2 ALA 80 16.215 0.333 29.229 516 HB3 ALA 80 HB3 ALA 80 15.780 1.159 27.714 517 H GLU 81 H GLU 81 13.542 3.044 30.320 518 HA GLU 81 HA GLU 81 11.034 3.367 29.067 519 HB2 GLU 81 HB2 GLU 81 10.965 5.501 30.576 520 HB3 GLU 81 HB3 GLU 81 10.909 3.876 31.234 521 HG2 GLU 81 HG2 GLU 81 12.273 5.182 32.659 522 HG3 GLU 81 HG3 GLU 81 13.287 3.984 31.879 523 H HIS 82 H HIS 82 13.759 5.741 28.867 524 HA HIS 82 HA HIS 82 12.361 7.364 26.916 525 HB2 HIS 82 2HB HIS 82 14.158 8.264 28.284 526 HB3 HIS 82 3HB HIS 82 15.291 7.060 27.687 527 HD1 HIS 82 1HD HIS 82 13.523 10.279 26.496 528 HD2 HIS 82 2HD HIS 82 16.582 7.584 25.434 529 HE1 HIS 82 1HE HIS 82 14.809 11.355 24.571 530 H MET 83 H MET 83 14.671 4.687 26.660 531 HA MET 83 HA MET 83 15.216 4.818 23.907 532 HB2 MET 83 HB2 MET 83 15.235 2.434 25.806 533 HB3 MET 83 HB3 MET 83 15.912 2.436 24.181 534 HG2 MET 83 HG2 MET 83 17.703 2.736 25.684 535 HG3 MET 83 HG3 MET 83 17.480 4.250 24.820 536 HE1 MET 83 HE1 MET 83 19.000 5.016 28.435 537 HE2 MET 83 HE2 MET 83 19.202 3.501 27.535 538 HE3 MET 83 HE3 MET 83 19.314 5.054 26.681 539 H ARG 84 H ARG 84 12.657 2.827 25.554 540 HA ARG 84 HA ARG 84 11.747 1.578 23.157 541 HB2 ARG 84 HB2 ARG 84 11.227 0.918 25.574 542 HB3 ARG 84 HB3 ARG 84 10.110 2.271 25.632 543 HG2 ARG 84 HG2 ARG 84 8.651 0.581 25.163 544 HG3 ARG 84 HG3 ARG 84 9.003 1.068 23.511 545 HD2 ARG 84 HD2 ARG 84 10.219 -1.269 25.055 546 HD3 ARG 84 HD3 ARG 84 8.998 -1.376 23.802 547 HE ARG 84 HE ARG 84 11.853 -0.502 23.384 548 HH11 ARG 84 HH11 ARG 84 9.050 -2.163 22.015 549 HH12 ARG 84 HH12 ARG 84 9.900 -2.496 20.537 550 HH21 ARG 84 HH21 ARG 84 12.823 -0.992 21.622 551 HH22 ARG 84 HH22 ARG 84 12.054 -1.913 20.328 552 H ARG 85 H ARG 85 10.721 4.640 24.639 553 HA ARG 85 HA ARG 85 8.613 5.205 22.724 554 HB2 ARG 85 HB2 ARG 85 10.227 7.092 24.490 555 HB3 ARG 85 HB3 ARG 85 8.729 7.512 23.646 556 HG2 ARG 85 HG2 ARG 85 7.548 5.747 24.969 557 HG3 ARG 85 HG3 ARG 85 9.037 5.459 25.876 558 HD2 ARG 85 HD2 ARG 85 7.405 8.005 25.812 559 HD3 ARG 85 HD3 ARG 85 7.463 6.865 27.137 560 HE ARG 85 HE ARG 85 9.788 8.566 26.193 561 HH11 ARG 85 HH11 ARG 85 8.336 6.904 28.993 562 HH12 ARG 85 HH12 ARG 85 9.473 7.740 30.042 563 HH21 ARG 85 HH21 ARG 85 11.049 9.559 27.724 564 HH22 ARG 85 HH22 ARG 85 10.875 9.041 29.396 565 H PHE 86 H PHE 86 11.995 6.301 22.965 566 HA PHE 86 HA PHE 86 12.108 7.888 20.628 567 HB2 PHE 86 HB2 PHE 86 13.796 8.020 22.328 568 HB3 PHE 86 HB3 PHE 86 14.133 6.300 22.242 569 HD1 PHE 86 HD2 PHE 86 14.518 9.510 20.368 570 HD2 PHE 86 HD1 PHE 86 15.780 5.402 20.789 571 HE1 PHE 86 HE2 PHE 86 16.395 9.914 18.789 572 HE2 PHE 86 HE1 PHE 86 17.653 5.817 19.221 573 HZ PHE 86 HZ PHE 86 17.960 8.072 18.213 574 H LEU 87 H LEU 87 12.948 4.397 20.979 575 HA LEU 87 HA LEU 87 13.710 4.041 18.263 576 HB2 LEU 87 HB2 LEU 87 14.367 2.628 20.165 577 HB3 LEU 87 HB3 LEU 87 12.736 1.990 20.308 578 HG LEU 87 HG LEU 87 14.356 1.714 17.745 579 HD11 LEU 87 HD11 LEU 87 15.075 -0.509 18.528 580 HD12 LEU 87 HD12 LEU 87 14.341 -0.188 20.116 581 HD13 LEU 87 HD13 LEU 87 15.713 0.783 19.544 582 HD21 LEU 87 HD21 LEU 87 13.000 -0.389 17.489 583 HD22 LEU 87 HD22 LEU 87 12.020 1.054 17.418 584 HD23 LEU 87 HD23 LEU 87 12.047 0.094 18.908 585 H GLN 88 H GLN 88 10.524 3.341 19.864 586 HA GLN 88 HA GLN 88 9.464 2.408 17.318 587 HB2 GLN 88 HB2 GLN 88 8.084 2.894 19.974 588 HB3 GLN 88 HB3 GLN 88 7.302 2.262 18.518 589 HG2 GLN 88 HG2 GLN 88 9.148 0.446 18.505 590 HG3 GLN 88 HG3 GLN 88 9.511 0.961 20.155 591 HE21 GLN 88 HE21 GLN 88 6.991 -0.437 18.037 592 HE22 GLN 88 HE22 GLN 88 6.145 -1.226 19.362 593 H CYS 89 H CYS 89 9.411 5.644 18.886 594 HA CYS 89 HA CYS 89 7.442 6.638 16.978 595 HB2 CYS 89 2HB CYS 89 7.947 7.642 19.227 596 HB3 CYS 89 3HB CYS 89 9.487 8.189 18.583 597 H ALA 90 H ALA 90 10.935 6.100 16.761 598 HA ALA 90 HA ALA 90 11.167 7.512 14.199 599 HB1 ALA 90 HB1 ALA 90 13.405 6.488 14.163 600 HB2 ALA 90 HB2 ALA 90 13.095 7.270 15.720 601 HB3 ALA 90 HB3 ALA 90 13.000 5.501 15.582 602 H GLU 91 H GLU 91 10.590 4.112 15.223 603 HA GLU 91 HA GLU 91 10.692 3.068 12.528 604 HB2 GLU 91 HB2 GLU 91 11.090 1.737 14.601 605 HB3 GLU 91 HB3 GLU 91 9.371 1.852 14.992 606 HG2 GLU 91 HG2 GLU 91 8.776 0.607 12.976 607 HG3 GLU 91 HG3 GLU 91 10.430 0.707 12.372 608 H GLN 92 H GLN 92 8.017 4.382 14.489 609 HA GLN 92 HA GLN 92 5.889 3.468 12.894 610 HB2 GLN 92 HB2 GLN 92 5.725 4.388 15.183 611 HB3 GLN 92 HB3 GLN 92 6.033 6.014 14.550 612 HG2 GLN 92 HG2 GLN 92 3.944 5.875 13.207 613 HG3 GLN 92 HG3 GLN 92 3.700 4.212 13.748 614 HE21 GLN 92 HE21 GLN 92 2.208 4.047 15.425 615 HE22 GLN 92 HE22 GLN 92 1.834 5.404 16.488 616 H VAL 93 H VAL 93 7.984 6.270 12.308 617 HA VAL 93 HA VAL 93 6.002 7.431 10.476 618 HB VAL 93 HB VAL 93 7.397 9.426 10.518 619 HG11 VAL 93 HG11 VAL 93 5.637 8.937 12.250 620 HG12 VAL 93 HG12 VAL 93 6.911 8.334 13.319 621 HG13 VAL 93 HG13 VAL 93 6.925 10.026 12.804 622 HG21 VAL 93 HG21 VAL 93 9.656 8.465 10.795 623 HG22 VAL 93 HG22 VAL 93 9.297 9.612 12.091 624 HG23 VAL 93 HG23 VAL 93 9.223 7.878 12.414 Start of MODEL 19 1 H TYR 11 H TYR 11 2.069 15.515 2.311 2 HA TYR 11 HA TYR 11 2.952 12.770 1.590 3 HB2 TYR 11 HB2 TYR 11 0.306 13.619 2.769 4 HB3 TYR 11 HB3 TYR 11 0.936 11.988 2.629 5 HD1 TYR 11 HD2 TYR 11 3.606 12.021 3.760 6 HD2 TYR 11 HD1 TYR 11 0.088 14.182 5.020 7 HE1 TYR 11 HE2 TYR 11 4.508 12.145 6.075 8 HE2 TYR 11 HE1 TYR 11 1.029 14.347 7.322 9 HH TYR 11 HH TYR 11 4.137 12.821 8.236 10 H CYS 12 H CYS 12 1.366 11.465 0.307 11 HA CYS 12 HA CYS 12 0.054 12.952 -1.898 12 HB2 CYS 12 2HB CYS 12 1.179 11.448 -3.538 13 HB3 CYS 12 3HB CYS 12 2.243 12.610 -2.774 14 H GLY 13 H GLY 13 -1.067 11.335 -3.396 15 HA2 GLY 13 HA2 GLY 13 -3.126 9.988 -2.046 16 HA3 GLY 13 HA3 GLY 13 -2.761 9.883 -3.771 17 H ARG 14 H ARG 14 -0.004 8.779 -2.534 18 HA ARG 14 HA ARG 14 -0.163 6.025 -2.733 19 HB2 ARG 14 HB2 ARG 14 1.874 5.940 -1.494 20 HB3 ARG 14 HB3 ARG 14 1.872 7.387 -2.449 21 HG2 ARG 14 HG2 ARG 14 2.849 8.027 -0.460 22 HG3 ARG 14 HG3 ARG 14 1.228 8.662 -0.327 23 HD2 ARG 14 HD2 ARG 14 1.095 7.737 1.702 24 HD3 ARG 14 HD3 ARG 14 1.107 6.136 0.957 25 HE ARG 14 HE ARG 14 3.797 7.177 1.224 26 HH11 ARG 14 HH11 ARG 14 1.290 5.831 3.404 27 HH12 ARG 14 HH12 ARG 14 2.558 5.030 4.308 28 HH21 ARG 14 HH21 ARG 14 5.193 6.316 2.700 29 HH22 ARG 14 HH22 ARG 14 4.559 5.273 3.964 30 H GLU 15 H GLU 15 -1.336 7.963 -0.026 31 HA GLU 15 HA GLU 15 -1.468 5.703 1.809 32 HB2 GLU 15 HB2 GLU 15 -1.314 8.170 2.426 33 HB3 GLU 15 HB3 GLU 15 -3.005 8.313 1.969 34 HG2 GLU 15 HG2 GLU 15 -2.969 8.114 4.319 35 HG3 GLU 15 HG3 GLU 15 -3.561 6.570 3.731 36 H LEU 16 H LEU 16 -3.773 7.018 -0.521 37 HA LEU 16 HA LEU 16 -5.860 5.058 0.213 38 HB2 LEU 16 HB2 LEU 16 -6.449 7.395 -0.296 39 HB3 LEU 16 HB3 LEU 16 -5.767 7.223 -1.913 40 HG LEU 16 HG LEU 16 -7.498 5.573 -2.503 41 HD11 LEU 16 HD11 LEU 16 -9.448 5.218 -0.980 42 HD12 LEU 16 HD12 LEU 16 -8.561 6.048 0.321 43 HD13 LEU 16 HD13 LEU 16 -7.969 4.508 -0.344 44 HD21 LEU 16 HD21 LEU 16 -9.411 7.089 -2.498 45 HD22 LEU 16 HD22 LEU 16 -7.919 7.995 -2.798 46 HD23 LEU 16 HD23 LEU 16 -8.674 8.047 -1.189 47 H GLU 17 H GLU 17 -3.405 5.563 -2.311 48 HA GLU 17 HA GLU 17 -4.331 3.462 -4.059 49 HB2 GLU 17 HB2 GLU 17 -2.790 5.408 -4.619 50 HB3 GLU 17 HB3 GLU 17 -1.491 4.538 -3.784 51 HG2 GLU 17 HG2 GLU 17 -1.779 2.633 -5.319 52 HG3 GLU 17 HG3 GLU 17 -3.104 3.467 -6.141 53 H GLN 18 H GLN 18 -2.051 3.413 -1.307 54 HA GLN 18 HA GLN 18 -1.493 0.587 -1.425 55 HB2 GLN 18 HB2 GLN 18 -0.241 2.278 -0.111 56 HB3 GLN 18 HB3 GLN 18 -1.612 2.540 0.936 57 HG2 GLN 18 HG2 GLN 18 -0.329 -0.214 0.629 58 HG3 GLN 18 HG3 GLN 18 0.361 1.002 1.688 59 HE21 GLN 18 HE21 GLN 18 -0.214 -1.155 3.052 60 HE22 GLN 18 HE22 GLN 18 -1.688 -0.898 3.986 61 H TYR 19 H TYR 19 -4.072 2.486 0.209 62 HA TYR 19 HA TYR 19 -5.188 0.428 1.712 63 HB2 TYR 19 HB2 TYR 19 -5.626 2.990 1.641 64 HB3 TYR 19 HB3 TYR 19 -6.832 2.637 0.425 65 HD1 TYR 19 HD1 TYR 19 -8.917 1.333 1.079 66 HD2 TYR 19 HD2 TYR 19 -5.958 2.609 3.949 67 HE1 TYR 19 HE1 TYR 19 -10.573 1.051 2.928 68 HE2 TYR 19 HE2 TYR 19 -7.599 2.354 5.762 69 HH TYR 19 HH TYR 19 -9.681 1.759 6.339 70 H GLY 20 H GLY 20 -6.056 1.374 -1.633 71 HA2 GLY 20 HA2 GLY 20 -8.204 -0.533 -1.691 72 HA3 GLY 20 HA3 GLY 20 -7.674 0.473 -3.078 73 H GLN 21 H GLN 21 -4.871 -1.010 -2.587 74 HA GLN 21 HA GLN 21 -5.626 -3.739 -3.610 75 HB2 GLN 21 HB2 GLN 21 -2.976 -2.375 -2.968 76 HB3 GLN 21 HB3 GLN 21 -3.067 -4.127 -3.134 77 HG2 GLN 21 HG2 GLN 21 -4.025 -2.197 -5.290 78 HG3 GLN 21 HG3 GLN 21 -2.367 -2.779 -5.211 79 HE21 GLN 21 HE21 GLN 21 -4.726 -3.247 -7.187 80 HE22 GLN 21 HE22 GLN 21 -4.680 -5.001 -7.394 81 H CYS 22 H CYS 22 -3.957 -2.321 -0.775 82 HA CYS 22 HA CYS 22 -3.634 -4.971 0.165 83 HB2 CYS 22 2HB CYS 22 -2.907 -2.417 1.621 84 HB3 CYS 22 3HB CYS 22 -2.138 -4.007 1.740 85 H VAL 23 H VAL 23 -6.136 -2.646 1.001 86 HA VAL 23 HA VAL 23 -6.946 -4.428 3.272 87 HB VAL 23 HB VAL 23 -8.271 -1.860 2.294 88 HG11 VAL 23 HG11 VAL 23 -8.666 -3.489 4.837 89 HG12 VAL 23 HG12 VAL 23 -9.363 -1.879 4.533 90 HG13 VAL 23 HG13 VAL 23 -9.853 -3.243 3.537 91 HG21 VAL 23 HG21 VAL 23 -6.388 -2.300 4.657 92 HG22 VAL 23 HG22 VAL 23 -6.044 -1.318 3.211 93 HG23 VAL 23 HG23 VAL 23 -7.300 -0.810 4.331 94 H ALA 24 H ALA 24 -7.499 -3.991 -0.159 95 HA ALA 24 HA ALA 24 -10.256 -4.893 -0.050 96 HB1 ALA 24 HB1 ALA 24 -9.451 -3.326 -1.749 97 HB2 ALA 24 HB2 ALA 24 -8.351 -4.577 -2.392 98 HB3 ALA 24 HB3 ALA 24 -10.107 -4.798 -2.491 99 H ALA 25 H ALA 25 -7.132 -6.565 -0.658 100 HA ALA 25 HA ALA 25 -8.471 -9.035 -1.408 101 HB1 ALA 25 HB1 ALA 25 -6.222 -10.022 -1.190 102 HB2 ALA 25 HB2 ALA 25 -6.213 -8.530 -2.152 103 HB3 ALA 25 HB3 ALA 25 -5.620 -8.506 -0.484 104 H LYS 26 H LYS 26 -6.867 -8.005 1.647 105 HA LYS 26 HA LYS 26 -8.703 -9.594 3.329 106 HB2 LYS 26 HB2 LYS 26 -5.669 -9.898 3.415 107 HB3 LYS 26 HB3 LYS 26 -6.805 -10.649 4.530 108 HG2 LYS 26 HG2 LYS 26 -7.751 -11.946 2.548 109 HG3 LYS 26 HG3 LYS 26 -6.375 -11.330 1.603 110 HD2 LYS 26 HD2 LYS 26 -4.853 -12.251 3.430 111 HD3 LYS 26 HD3 LYS 26 -6.264 -13.057 4.115 112 HE2 LYS 26 HE2 LYS 26 -5.078 -13.498 1.333 113 HE3 LYS 26 HE3 LYS 26 -4.872 -14.549 2.736 114 HZ1 LYS 26 HZ1 LYS 26 -6.581 -15.457 1.375 115 HZ2 LYS 26 HZ2 LYS 26 -7.409 -14.066 1.274 116 HZ3 LYS 26 HZ3 LYS 26 -7.359 -14.826 2.706 117 HA PRO 27 HA PRO 27 -7.407 -6.230 6.232 118 HB2 PRO 27 HB2 PRO 27 -7.472 -7.509 8.658 119 HB3 PRO 27 HB3 PRO 27 -8.941 -6.945 7.807 120 HG2 PRO 27 HG2 PRO 27 -7.747 -9.735 7.807 121 HG3 PRO 27 HG3 PRO 27 -9.451 -9.261 8.091 122 HD2 PRO 27 HD2 PRO 27 -8.601 -10.115 5.661 123 HD3 PRO 27 HD3 PRO 27 -9.805 -8.804 5.798 124 H GLU 28 H GLU 28 -5.987 -9.451 6.089 125 HA GLU 28 HA GLU 28 -3.503 -8.916 7.419 126 HB2 GLU 28 HB2 GLU 28 -4.115 -11.043 5.355 127 HB3 GLU 28 HB3 GLU 28 -2.826 -11.077 6.541 128 HG2 GLU 28 HG2 GLU 28 -5.802 -11.207 7.188 129 HG3 GLU 28 HG3 GLU 28 -4.715 -12.571 7.038 130 H SER 29 H SER 29 -4.488 -8.430 4.012 131 HA SER 29 HA SER 29 -1.907 -8.849 2.894 132 HB2 SER 29 HB2 SER 29 -3.005 -7.497 0.912 133 HB3 SER 29 HB3 SER 29 -3.503 -9.141 1.327 134 HG SER 29 HG SER 29 -4.834 -6.765 2.169 135 H TRP 30 H TRP 30 -3.138 -6.119 4.518 136 HA TRP 30 HA TRP 30 -1.454 -4.007 3.647 137 HB2 TRP 30 HB2 TRP 30 -3.512 -4.087 5.212 138 HB3 TRP 30 HB3 TRP 30 -2.409 -4.585 6.475 139 HD1 TRP 30 HD1 TRP 30 -3.996 -1.671 5.001 140 HE1 TRP 30 HE1 TRP 30 -3.078 0.515 5.982 141 HE3 TRP 30 HE3 TRP 30 0.221 -3.501 7.309 142 HZ2 TRP 30 HZ2 TRP 30 -0.791 1.374 7.482 143 HZ3 TRP 30 HZ3 TRP 30 1.711 -1.965 8.552 144 HH2 TRP 30 HH2 TRP 30 1.226 0.462 8.649 145 H GLN 31 H GLN 31 -0.846 -6.618 5.970 146 HA GLN 31 HA GLN 31 2.022 -5.881 6.208 147 HB2 GLN 31 HB2 GLN 31 0.791 -6.615 8.181 148 HB3 GLN 31 HB3 GLN 31 0.344 -8.126 7.386 149 HG2 GLN 31 HG2 GLN 31 2.731 -8.801 7.310 150 HG3 GLN 31 HG3 GLN 31 3.195 -7.274 8.067 151 HE21 GLN 31 HE21 GLN 31 4.005 -9.580 9.391 152 HE22 GLN 31 HE22 GLN 31 2.982 -9.798 10.800 153 H ARG 32 H ARG 32 -0.016 -8.543 4.996 154 HA ARG 32 HA ARG 32 2.393 -10.033 4.363 155 HB2 ARG 32 HB2 ARG 32 -0.497 -10.930 4.100 156 HB3 ARG 32 HB3 ARG 32 0.948 -11.947 4.088 157 HG2 ARG 32 HG2 ARG 32 1.454 -10.974 6.449 158 HG3 ARG 32 HG3 ARG 32 -0.200 -10.364 6.413 159 HD2 ARG 32 HD2 ARG 32 -0.488 -12.368 7.499 160 HD3 ARG 32 HD3 ARG 32 -0.876 -12.835 5.850 161 HE ARG 32 HE ARG 32 1.652 -13.405 7.370 162 HH11 ARG 32 HH11 ARG 32 -0.237 -14.280 4.485 163 HH12 ARG 32 HH12 ARG 32 0.930 -15.547 4.115 164 HH21 ARG 32 HH21 ARG 32 2.851 -14.984 6.891 165 HH22 ARG 32 HH22 ARG 32 2.572 -16.041 5.512 166 H ASP 33 H ASP 33 0.081 -8.477 2.202 167 HA ASP 33 HA ASP 33 1.051 -10.167 -0.056 168 HB2 ASP 33 HB2 ASP 33 -1.448 -9.641 0.422 169 HB3 ASP 33 HB3 ASP 33 -1.124 -8.055 -0.312 170 H CYS 34 H CYS 34 0.720 -6.741 0.837 171 HA CYS 34 HA CYS 34 1.885 -5.800 -1.632 172 HB2 CYS 34 2HB CYS 34 0.981 -4.484 0.955 173 HB3 CYS 34 3HB CYS 34 1.564 -3.584 -0.439 174 H HIS 35 H HIS 35 4.000 -6.615 -1.768 175 HA HIS 35 HA HIS 35 6.039 -5.478 0.089 176 HB2 HIS 35 2HB HIS 35 6.375 -7.267 -2.358 177 HB3 HIS 35 3HB HIS 35 7.632 -6.770 -1.242 178 HD1 HIS 35 1HD HIS 35 4.349 -8.883 -1.122 179 HD2 HIS 35 2HD HIS 35 8.123 -8.423 0.683 180 HE1 HIS 35 1HE HIS 35 4.641 -10.872 0.417 181 H TYR 36 H TYR 36 5.646 -5.640 -3.493 182 HA TYR 36 HA TYR 36 7.178 -3.217 -3.907 183 HB2 TYR 36 HB2 TYR 36 7.031 -5.029 -5.569 184 HB3 TYR 36 HB3 TYR 36 5.307 -4.722 -5.785 185 HD1 TYR 36 HD1 TYR 36 8.634 -2.954 -5.892 186 HD2 TYR 36 HD2 TYR 36 4.672 -3.288 -7.585 187 HE1 TYR 36 HE1 TYR 36 9.202 -1.224 -7.567 188 HE2 TYR 36 HE2 TYR 36 5.258 -1.550 -9.275 189 HH TYR 36 HH TYR 36 8.484 0.027 -9.286 190 H LEU 37 H LEU 37 3.722 -3.937 -3.672 191 HA LEU 37 HA LEU 37 2.822 -1.291 -4.338 192 HB2 LEU 37 HB2 LEU 37 1.477 -3.560 -2.813 193 HB3 LEU 37 HB3 LEU 37 0.679 -2.068 -3.261 194 HG LEU 37 HG LEU 37 -0.027 -3.703 -4.775 195 HD11 LEU 37 HD11 LEU 37 0.493 -1.475 -5.774 196 HD12 LEU 37 HD12 LEU 37 0.579 -2.807 -6.933 197 HD13 LEU 37 HD13 LEU 37 2.076 -2.110 -6.300 198 HD21 LEU 37 HD21 LEU 37 1.313 -5.119 -6.132 199 HD22 LEU 37 HD22 LEU 37 1.866 -5.319 -4.470 200 HD23 LEU 37 HD23 LEU 37 2.816 -4.348 -5.633 201 H LYS 38 H LYS 38 4.190 -2.496 -1.318 202 HA LYS 38 HA LYS 38 3.339 0.045 -0.031 203 HB2 LYS 38 HB2 LYS 38 3.802 -0.690 1.987 204 HB3 LYS 38 HB3 LYS 38 3.255 -2.170 1.233 205 HG2 LYS 38 HG2 LYS 38 5.599 -2.984 1.123 206 HG3 LYS 38 HG3 LYS 38 6.180 -1.428 1.760 207 HD2 LYS 38 HD2 LYS 38 4.788 -1.757 3.797 208 HD3 LYS 38 HD3 LYS 38 4.276 -3.329 3.193 209 HE2 LYS 38 HE2 LYS 38 6.520 -4.212 3.371 210 HE3 LYS 38 HE3 LYS 38 7.193 -2.614 3.737 211 HZ1 LYS 38 HZ1 LYS 38 6.770 -4.056 5.750 212 HZ2 LYS 38 HZ2 LYS 38 5.149 -3.917 5.451 213 HZ3 LYS 38 HZ3 LYS 38 6.031 -2.604 5.827 214 H MET 39 H MET 39 6.251 -1.435 -1.390 215 HA MET 39 HA MET 39 7.940 0.688 -0.433 216 HB2 MET 39 HB2 MET 39 8.537 -1.731 -1.012 217 HB3 MET 39 HB3 MET 39 8.650 -1.194 -2.697 218 HG2 MET 39 HG2 MET 39 10.312 0.520 -2.015 219 HG3 MET 39 HG3 MET 39 10.144 0.029 -0.330 220 HE1 MET 39 HE1 MET 39 10.100 -3.327 -0.765 221 HE2 MET 39 HE2 MET 39 11.803 -3.576 -0.362 222 HE3 MET 39 HE3 MET 39 10.833 -2.421 0.579 223 H SER 40 H SER 40 6.384 0.189 -3.648 224 HA SER 40 HA SER 40 7.532 2.534 -4.881 225 HB2 SER 40 HB2 SER 40 5.584 2.364 -6.433 226 HB3 SER 40 HB3 SER 40 6.497 0.857 -6.260 227 HG SER 40 HG SER 40 4.929 -0.006 -5.028 228 H ILE 41 H ILE 41 4.607 2.030 -2.991 229 HA ILE 41 HA ILE 41 3.603 4.709 -2.803 230 HB ILE 41 HB ILE 41 3.348 2.066 -1.431 231 HG12 ILE 41 HG12 ILE 41 1.054 2.222 -1.890 232 HG13 ILE 41 HG13 ILE 41 1.089 3.969 -2.081 233 HG21 ILE 41 HG21 ILE 41 3.600 3.318 0.599 234 HG22 ILE 41 HG22 ILE 41 2.377 4.491 0.074 235 HG23 ILE 41 HG23 ILE 41 1.933 2.811 0.398 236 HD11 ILE 41 HD11 ILE 41 2.432 2.011 -3.964 237 HD12 ILE 41 HD12 ILE 41 0.830 2.747 -4.224 238 HD13 ILE 41 HD13 ILE 41 2.281 3.768 -4.192 239 H ALA 42 H ALA 42 6.060 3.019 -0.805 240 HA ALA 42 HA ALA 42 6.351 5.266 0.851 241 HB1 ALA 42 HB1 ALA 42 8.414 4.159 1.660 242 HB2 ALA 42 HB2 ALA 42 7.126 2.960 1.432 243 HB3 ALA 42 HB3 ALA 42 8.432 3.105 0.239 244 H GLN 43 H GLN 43 8.070 4.346 -2.142 245 HA GLN 43 HA GLN 43 9.895 6.546 -2.199 246 HB2 GLN 43 HB2 GLN 43 8.660 4.851 -4.412 247 HB3 GLN 43 HB3 GLN 43 9.968 5.996 -4.694 248 HG2 GLN 43 HG2 GLN 43 11.545 4.724 -3.479 249 HG3 GLN 43 HG3 GLN 43 10.317 3.817 -2.615 250 HE21 GLN 43 HE21 GLN 43 11.773 1.963 -3.343 251 HE22 GLN 43 HE22 GLN 43 11.250 1.185 -4.828 252 H CYS 44 H CYS 44 6.421 6.525 -2.990 253 HA CYS 44 HA CYS 44 6.407 9.079 -4.345 254 HB2 CYS 44 2HB CYS 44 4.511 7.527 -4.388 255 HB3 CYS 44 3HB CYS 44 4.240 7.767 -2.664 256 H THR 45 H THR 45 6.163 8.188 -0.871 257 HA THR 45 HA THR 45 6.141 11.014 -0.052 258 HB THR 45 HB THR 45 6.370 9.730 2.300 259 HG1 THR 45 HG1 THR 45 6.417 7.666 1.739 260 HG21 THR 45 HG21 THR 45 3.849 9.902 0.614 261 HG22 THR 45 HG22 THR 45 4.532 11.178 1.645 262 HG23 THR 45 HG23 THR 45 3.909 9.688 2.381 263 H SER 46 H SER 46 8.653 8.586 -0.359 264 HA SER 46 HA SER 46 10.450 9.725 1.484 265 HB2 SER 46 HB2 SER 46 10.726 7.696 -0.673 266 HB3 SER 46 HB3 SER 46 12.186 8.331 0.077 267 HG SER 46 HG SER 46 11.435 7.767 2.082 268 H SER 47 H SER 47 9.501 11.608 -0.863 269 HA SER 47 HA SER 47 11.955 12.686 -1.957 270 HB2 SER 47 HB2 SER 47 10.531 14.715 -2.346 271 HB3 SER 47 HB3 SER 47 9.892 13.213 -3.029 272 HG SER 47 HG SER 47 8.248 14.297 -2.043 273 H HIS 48 H HIS 48 10.204 13.140 1.079 274 HA HIS 48 HA HIS 48 12.461 14.797 2.100 275 HB2 HIS 48 2HB HIS 48 11.078 15.773 3.686 276 HB3 HIS 48 3HB HIS 48 10.098 15.734 2.254 277 HD1 HIS 48 1HD HIS 48 7.972 14.068 2.302 278 HD2 HIS 48 2HD HIS 48 10.162 14.499 5.860 279 HE1 HIS 48 1HE HIS 48 6.499 13.139 4.170 280 HA PRO 49 HA PRO 49 13.844 11.342 4.342 281 HB2 PRO 49 HB2 PRO 49 15.016 12.286 6.618 282 HB3 PRO 49 HB3 PRO 49 15.554 12.748 4.981 283 HG2 PRO 49 HG2 PRO 49 13.685 14.277 6.808 284 HG3 PRO 49 HG3 PRO 49 15.134 14.886 5.951 285 HD2 PRO 49 HD2 PRO 49 12.614 15.169 4.973 286 HD3 PRO 49 HD3 PRO 49 14.018 14.926 3.889 287 H ILE 50 H ILE 50 11.264 11.022 4.484 288 HA ILE 50 HA ILE 50 9.958 11.127 6.994 289 HB ILE 50 HB ILE 50 8.867 11.139 4.811 290 HG12 ILE 50 HG12 ILE 50 7.861 8.856 6.560 291 HG13 ILE 50 HG13 ILE 50 7.621 10.572 6.882 292 HG21 ILE 50 HG21 ILE 50 8.520 9.213 3.439 293 HG22 ILE 50 HG22 ILE 50 10.246 9.387 3.688 294 HG23 ILE 50 HG23 ILE 50 9.346 8.151 4.589 295 HD11 ILE 50 HD11 ILE 50 6.397 10.754 4.674 296 HD12 ILE 50 HD12 ILE 50 6.495 8.976 4.551 297 HD13 ILE 50 HD13 ILE 50 5.612 9.723 5.884 298 H ILE 51 H ILE 51 11.910 8.518 5.610 299 HA ILE 51 HA ILE 51 11.662 7.040 8.207 300 HB ILE 51 HB ILE 51 11.742 4.906 6.957 301 HG12 ILE 51 HG12 ILE 51 11.247 6.602 4.463 302 HG13 ILE 51 HG13 ILE 51 12.748 5.761 4.849 303 HG21 ILE 51 HG21 ILE 51 9.317 6.575 6.207 304 HG22 ILE 51 HG22 ILE 51 9.401 4.823 6.465 305 HG23 ILE 51 HG23 ILE 51 9.630 5.926 7.823 306 HD11 ILE 51 HD11 ILE 51 10.055 4.487 4.239 307 HD12 ILE 51 HD12 ILE 51 11.535 4.427 3.270 308 HD13 ILE 51 HD13 ILE 51 11.472 3.589 4.832 309 H ARG 52 H ARG 52 13.805 8.894 7.090 310 HA ARG 52 HA ARG 52 16.013 7.157 6.324 311 HB2 ARG 52 HB2 ARG 52 15.807 10.115 6.962 312 HB3 ARG 52 HB3 ARG 52 17.369 9.352 6.680 313 HG2 ARG 52 HG2 ARG 52 15.048 9.288 4.689 314 HG3 ARG 52 HG3 ARG 52 16.384 10.440 4.646 315 HD2 ARG 52 HD2 ARG 52 16.624 7.424 4.290 316 HD3 ARG 52 HD3 ARG 52 16.738 8.653 3.034 317 HE ARG 52 HE ARG 52 18.731 9.564 4.391 318 HH11 ARG 52 HH11 ARG 52 18.230 6.057 4.043 319 HH12 ARG 52 HH12 ARG 52 19.822 5.787 4.738 320 HH21 ARG 52 HH21 ARG 52 20.647 9.089 4.957 321 HH22 ARG 52 HH22 ARG 52 21.235 7.439 5.044 322 H GLN 53 H GLN 53 15.469 8.956 9.421 323 HA GLN 53 HA GLN 53 17.925 7.977 10.514 324 HB2 GLN 53 HB2 GLN 53 16.780 9.947 11.336 325 HB3 GLN 53 HB3 GLN 53 15.451 8.957 11.982 326 HG2 GLN 53 HG2 GLN 53 16.965 7.906 13.600 327 HG3 GLN 53 HG3 GLN 53 18.364 8.685 12.856 328 HE21 GLN 53 HE21 GLN 53 18.453 9.283 15.408 329 HE22 GLN 53 HE22 GLN 53 17.832 10.904 15.675 330 H ILE 54 H ILE 54 14.599 6.574 10.755 331 HA ILE 54 HA ILE 54 15.462 4.390 12.416 332 HB ILE 54 HB ILE 54 13.363 3.285 11.793 333 HG12 ILE 54 HG12 ILE 54 12.865 5.685 9.974 334 HG13 ILE 54 HG13 ILE 54 13.181 4.049 9.438 335 HG21 ILE 54 HG21 ILE 54 12.997 6.210 12.533 336 HG22 ILE 54 HG22 ILE 54 11.929 4.854 12.933 337 HG23 ILE 54 HG23 ILE 54 13.544 4.930 13.639 338 HD11 ILE 54 HD11 ILE 54 10.826 4.353 9.305 339 HD12 ILE 54 HD12 ILE 54 11.079 3.344 10.741 340 HD13 ILE 54 HD13 ILE 54 10.738 5.078 10.916 341 H ARG 55 H ARG 55 15.894 4.832 8.992 342 HA ARG 55 HA ARG 55 16.730 2.011 8.564 343 HB2 ARG 55 HB2 ARG 55 16.699 4.482 6.792 344 HB3 ARG 55 HB3 ARG 55 17.400 2.941 6.303 345 HG2 ARG 55 HG2 ARG 55 15.238 1.795 6.595 346 HG3 ARG 55 HG3 ARG 55 14.504 3.276 7.210 347 HD2 ARG 55 HD2 ARG 55 13.833 3.071 4.925 348 HD3 ARG 55 HD3 ARG 55 14.987 4.397 5.017 349 HE ARG 55 HE ARG 55 16.578 3.137 3.819 350 HH11 ARG 55 HH11 ARG 55 13.680 1.088 4.288 351 HH12 ARG 55 HH12 ARG 55 14.424 -0.144 3.275 352 HH21 ARG 55 HH21 ARG 55 17.378 1.324 2.806 353 HH22 ARG 55 HH22 ARG 55 16.274 -0.016 2.475 354 H GLN 56 H GLN 56 18.305 5.205 8.789 355 HA GLN 56 HA GLN 56 21.004 4.370 8.560 356 HB2 GLN 56 HB2 GLN 56 19.715 6.668 10.098 357 HB3 GLN 56 HB3 GLN 56 21.458 6.474 9.936 358 HG2 GLN 56 HG2 GLN 56 21.327 6.639 7.525 359 HG3 GLN 56 HG3 GLN 56 19.579 6.747 7.549 360 HE21 GLN 56 HE21 GLN 56 22.203 8.618 7.056 361 HE22 GLN 56 HE22 GLN 56 21.581 10.154 7.668 362 H ALA 57 H ALA 57 19.109 4.880 11.558 363 HA ALA 57 HA ALA 57 21.143 3.783 13.285 364 HB1 ALA 57 HB1 ALA 57 18.300 4.659 13.916 365 HB2 ALA 57 HB2 ALA 57 19.636 4.442 15.064 366 HB3 ALA 57 HB3 ALA 57 19.714 5.738 13.856 367 H CYS 58 H CYS 58 20.078 1.872 11.324 368 HA CYS 58 HA CYS 58 19.363 -0.235 11.082 369 HB2 CYS 58 2HB CYS 58 20.442 -1.834 12.553 370 HB3 CYS 58 3HB CYS 58 21.505 -0.519 12.077 371 H ALA 59 H ALA 59 17.307 1.433 12.695 372 HA ALA 59 HA ALA 59 16.125 -0.438 14.501 373 HB1 ALA 59 HB1 ALA 59 14.459 1.325 14.857 374 HB2 ALA 59 HB2 ALA 59 16.100 1.995 14.858 375 HB3 ALA 59 HB3 ALA 59 15.051 2.203 13.437 376 H GLN 60 H GLN 60 15.046 0.655 11.248 377 HA GLN 60 HA GLN 60 12.676 -0.955 11.147 378 HB2 GLN 60 HB2 GLN 60 14.490 0.209 9.016 379 HB3 GLN 60 HB3 GLN 60 13.089 -0.773 8.594 380 HG2 GLN 60 HG2 GLN 60 12.614 1.482 10.512 381 HG3 GLN 60 HG3 GLN 60 13.072 1.910 8.861 382 HE21 GLN 60 HE21 GLN 60 10.504 0.317 10.815 383 HE22 GLN 60 HE22 GLN 60 9.355 0.343 9.483 384 HA PRO 61 HA PRO 61 15.521 -4.587 9.471 385 HB2 PRO 61 HB2 PRO 61 17.961 -3.663 11.022 386 HB3 PRO 61 HB3 PRO 61 17.889 -4.717 9.571 387 HG2 PRO 61 HG2 PRO 61 18.540 -2.114 9.346 388 HG3 PRO 61 HG3 PRO 61 17.402 -2.862 8.175 389 HD2 PRO 61 HD2 PRO 61 16.797 -1.088 10.525 390 HD3 PRO 61 HD3 PRO 61 16.068 -1.134 8.899 391 H PHE 62 H PHE 62 16.226 -3.165 12.758 392 HA PHE 62 HA PHE 62 15.964 -5.668 14.118 393 HB2 PHE 62 HB2 PHE 62 15.991 -2.799 14.948 394 HB3 PHE 62 HB3 PHE 62 15.182 -3.914 16.034 395 HD1 PHE 62 HD2 PHE 62 16.487 -6.223 16.462 396 HD2 PHE 62 HD1 PHE 62 18.289 -2.443 15.437 397 HE1 PHE 62 HE2 PHE 62 18.645 -6.996 17.418 398 HE2 PHE 62 HE1 PHE 62 20.428 -3.198 16.442 399 HZ PHE 62 HZ PHE 62 20.622 -5.488 17.399 400 H GLU 63 H GLU 63 13.411 -3.249 13.347 401 HA GLU 63 HA GLU 63 11.346 -4.431 14.827 402 HB2 GLU 63 HB2 GLU 63 11.257 -2.971 12.154 403 HB3 GLU 63 HB3 GLU 63 9.812 -3.472 13.030 404 HG2 GLU 63 HG2 GLU 63 10.505 -2.135 14.987 405 HG3 GLU 63 HG3 GLU 63 11.913 -1.552 14.107 406 H ALA 64 H ALA 64 12.567 -5.555 11.673 407 HA ALA 64 HA ALA 64 10.356 -7.475 11.351 408 HB1 ALA 64 HB1 ALA 64 11.565 -8.071 9.286 409 HB2 ALA 64 HB2 ALA 64 11.324 -6.321 9.408 410 HB3 ALA 64 HB3 ALA 64 12.921 -7.020 9.763 411 H PHE 65 H PHE 65 13.673 -7.602 12.598 412 HA PHE 65 HA PHE 65 13.688 -10.567 12.671 413 HB2 PHE 65 HB2 PHE 65 15.811 -9.559 12.356 414 HB3 PHE 65 HB3 PHE 65 15.555 -8.350 13.618 415 HD1 PHE 65 HD2 PHE 65 16.049 -12.020 13.026 416 HD2 PHE 65 HD1 PHE 65 16.096 -8.818 15.913 417 HE1 PHE 65 HE2 PHE 65 16.991 -13.562 14.739 418 HE2 PHE 65 HE1 PHE 65 17.000 -10.369 17.622 419 HZ PHE 65 HZ PHE 65 17.464 -12.739 17.026 420 H GLU 66 H GLU 66 13.235 -7.854 14.934 421 HA GLU 66 HA GLU 66 13.117 -9.625 17.194 422 HB2 GLU 66 HB2 GLU 66 13.277 -7.747 18.436 423 HB3 GLU 66 HB3 GLU 66 14.062 -7.259 16.951 424 HG2 GLU 66 HG2 GLU 66 11.791 -6.174 16.307 425 HG3 GLU 66 HG3 GLU 66 11.294 -6.470 17.969 426 H GLU 67 H GLU 67 10.690 -8.417 15.027 427 HA GLU 67 HA GLU 67 8.384 -9.296 16.574 428 HB2 GLU 67 HB2 GLU 67 8.368 -7.576 14.740 429 HB3 GLU 67 HB3 GLU 67 8.675 -8.870 13.577 430 HG2 GLU 67 HG2 GLU 67 6.486 -9.920 14.349 431 HG3 GLU 67 HG3 GLU 67 6.223 -8.488 15.352 432 H CYS 68 H CYS 68 10.754 -10.976 14.512 433 HA CYS 68 HA CYS 68 9.120 -13.379 14.262 434 HB2 CYS 68 2HB CYS 68 11.016 -12.986 12.765 435 HB3 CYS 68 3HB CYS 68 12.140 -13.113 14.121 436 H LEU 69 H LEU 69 11.943 -12.692 16.517 437 HA LEU 69 HA LEU 69 11.347 -14.804 18.220 438 HB2 LEU 69 HB2 LEU 69 12.982 -12.263 18.504 439 HB3 LEU 69 HB3 LEU 69 12.882 -13.476 19.768 440 HG LEU 69 HG LEU 69 13.718 -15.216 18.118 441 HD11 LEU 69 HD11 LEU 69 13.319 -14.273 15.953 442 HD12 LEU 69 HD12 LEU 69 15.046 -14.405 16.189 443 HD13 LEU 69 HD13 LEU 69 14.270 -12.813 16.357 444 HD21 LEU 69 HD21 LEU 69 15.531 -12.838 18.663 445 HD22 LEU 69 HD22 LEU 69 16.063 -14.492 18.271 446 HD23 LEU 69 HD23 LEU 69 15.197 -14.176 19.781 447 H ARG 70 H ARG 70 9.746 -11.635 18.148 448 HA ARG 70 HA ARG 70 8.535 -11.625 20.687 449 HB2 ARG 70 HB2 ARG 70 8.267 -9.878 18.938 450 HB3 ARG 70 HB3 ARG 70 7.254 -10.975 18.002 451 HG2 ARG 70 HG2 ARG 70 5.912 -9.330 19.130 452 HG3 ARG 70 HG3 ARG 70 5.528 -10.931 19.755 453 HD2 ARG 70 HD2 ARG 70 6.810 -10.492 21.799 454 HD3 ARG 70 HD3 ARG 70 7.406 -8.959 21.121 455 HE ARG 70 HE ARG 70 4.466 -9.322 21.403 456 HH11 ARG 70 HH11 ARG 70 7.209 -7.958 23.160 457 HH12 ARG 70 HH12 ARG 70 6.187 -6.695 23.780 458 HH21 ARG 70 HH21 ARG 70 3.421 -7.524 22.022 459 HH22 ARG 70 HH22 ARG 70 4.163 -6.438 23.183 460 H GLN 71 H GLN 71 7.802 -13.854 18.032 461 HA GLN 71 HA GLN 71 6.058 -15.378 19.951 462 HB2 GLN 71 HB2 GLN 71 6.058 -15.501 16.913 463 HB3 GLN 71 HB3 GLN 71 5.137 -16.526 18.010 464 HG2 GLN 71 HG2 GLN 71 4.118 -14.297 18.926 465 HG3 GLN 71 HG3 GLN 71 4.772 -13.562 17.457 466 HE21 GLN 71 HE21 GLN 71 2.883 -13.274 16.104 467 HE22 GLN 71 HE22 GLN 71 1.712 -14.581 15.876 468 H ASN 72 H ASN 72 8.989 -15.567 18.014 469 HA ASN 72 HA ASN 72 9.252 -18.483 18.612 470 HB2 ASN 72 HB2 ASN 72 10.571 -16.998 16.353 471 HB3 ASN 72 HB3 ASN 72 10.479 -18.719 16.583 472 HD21 ASN 72 HD21 ASN 72 8.640 -15.894 15.563 473 HD22 ASN 72 HD22 ASN 72 7.402 -16.821 14.727 474 H GLU 73 H GLU 73 10.305 -16.292 20.482 475 HA GLU 73 HA GLU 73 13.017 -15.838 19.958 476 HB2 GLU 73 HB2 GLU 73 13.309 -15.197 22.271 477 HB3 GLU 73 HB3 GLU 73 11.786 -14.591 21.684 478 HG2 GLU 73 HG2 GLU 73 10.837 -16.842 22.794 479 HG3 GLU 73 HG3 GLU 73 12.333 -16.746 23.717 480 H ALA 74 H ALA 74 11.506 -18.719 21.089 481 HA ALA 74 HA ALA 74 13.752 -20.073 22.355 482 HB1 ALA 74 HB1 ALA 74 12.058 -21.897 22.417 483 HB2 ALA 74 HB2 ALA 74 11.360 -20.354 22.967 484 HB3 ALA 74 HB3 ALA 74 11.024 -20.946 21.321 485 H ALA 75 H ALA 75 12.993 -19.505 19.072 486 HA ALA 75 HA ALA 75 14.309 -22.019 18.139 487 HB1 ALA 75 HB1 ALA 75 12.640 -22.141 16.369 488 HB2 ALA 75 HB2 ALA 75 11.848 -22.160 17.954 489 HB3 ALA 75 HB3 ALA 75 11.842 -20.674 16.976 490 H VAL 76 H VAL 76 16.076 -20.208 18.443 491 HA VAL 76 HA VAL 76 16.267 -18.168 16.436 492 HB VAL 76 HB VAL 76 18.493 -19.417 18.103 493 HG11 VAL 76 HG11 VAL 76 19.556 -17.168 17.922 494 HG12 VAL 76 HG12 VAL 76 19.435 -17.973 16.363 495 HG13 VAL 76 HG13 VAL 76 18.288 -16.680 16.775 496 HG21 VAL 76 HG21 VAL 76 18.062 -17.515 19.676 497 HG22 VAL 76 HG22 VAL 76 16.621 -17.084 18.732 498 HG23 VAL 76 HG23 VAL 76 16.703 -18.628 19.605 499 H GLY 77 H GLY 77 16.871 -21.599 16.213 500 HA2 GLY 77 HA2 GLY 77 18.446 -21.641 13.812 501 HA3 GLY 77 HA3 GLY 77 17.249 -22.842 14.308 502 H ASN 78 H ASN 78 15.107 -20.604 14.321 503 HA ASN 78 HA ASN 78 14.451 -20.804 11.436 504 HB2 ASN 78 HB2 ASN 78 12.696 -20.179 13.842 505 HB3 ASN 78 HB3 ASN 78 12.142 -20.343 12.183 506 HD21 ASN 78 HD21 ASN 78 10.973 -21.883 14.179 507 HD22 ASN 78 HD22 ASN 78 11.495 -23.541 13.983 508 H CYS 79 H CYS 79 15.375 -18.354 13.751 509 HA CYS 79 HA CYS 79 15.477 -16.407 11.554 510 HB2 CYS 79 2HB CYS 79 13.974 -15.939 14.149 511 HB3 CYS 79 3HB CYS 79 14.602 -14.610 13.187 512 H ALA 80 H ALA 80 17.448 -15.415 11.658 513 HA ALA 80 HA ALA 80 18.795 -14.883 14.257 514 HB1 ALA 80 HB1 ALA 80 19.963 -16.630 12.066 515 HB2 ALA 80 HB2 ALA 80 20.817 -16.082 13.531 516 HB3 ALA 80 HB3 ALA 80 19.419 -17.150 13.680 517 H GLU 81 H GLU 81 17.780 -13.398 11.675 518 HA GLU 81 HA GLU 81 19.861 -12.045 10.433 519 HB2 GLU 81 HB2 GLU 81 16.980 -11.382 10.945 520 HB3 GLU 81 HB3 GLU 81 18.022 -10.193 10.177 521 HG2 GLU 81 HG2 GLU 81 18.001 -13.006 9.079 522 HG3 GLU 81 HG3 GLU 81 16.660 -11.921 8.727 523 H HIS 82 H HIS 82 19.064 -11.605 13.761 524 HA HIS 82 HA HIS 82 19.934 -9.098 14.533 525 HB2 HIS 82 2HB HIS 82 19.440 -11.095 15.988 526 HB3 HIS 82 3HB HIS 82 21.031 -11.723 15.617 527 HD1 HIS 82 1HD HIS 82 23.133 -9.853 16.476 528 HD2 HIS 82 2HD HIS 82 19.281 -9.753 18.192 529 HE1 HIS 82 1HE HIS 82 23.358 -8.621 18.663 530 H MET 83 H MET 83 21.969 -11.679 13.119 531 HA MET 83 HA MET 83 24.513 -10.407 13.577 532 HB2 MET 83 HB2 MET 83 23.610 -12.464 11.527 533 HB3 MET 83 HB3 MET 83 25.297 -11.989 11.797 534 HG2 MET 83 HG2 MET 83 25.241 -12.774 14.082 535 HG3 MET 83 HG3 MET 83 23.508 -13.059 14.015 536 HE1 MET 83 HE1 MET 83 27.033 -14.287 12.736 537 HE2 MET 83 HE2 MET 83 26.585 -15.707 11.778 538 HE3 MET 83 HE3 MET 83 26.170 -14.093 11.192 539 H ARG 84 H ARG 84 22.193 -10.068 10.853 540 HA ARG 84 HA ARG 84 23.925 -8.104 9.478 541 HB2 ARG 84 HB2 ARG 84 21.044 -8.921 8.948 542 HB3 ARG 84 HB3 ARG 84 21.926 -7.668 8.073 543 HG2 ARG 84 HG2 ARG 84 23.716 -9.628 7.718 544 HG3 ARG 84 HG3 ARG 84 22.305 -10.640 8.041 545 HD2 ARG 84 HD2 ARG 84 22.274 -10.415 5.706 546 HD3 ARG 84 HD3 ARG 84 21.089 -9.233 6.236 547 HE ARG 84 HE ARG 84 22.510 -7.484 5.556 548 HH11 ARG 84 HH11 ARG 84 24.204 -10.539 5.107 549 HH12 ARG 84 HH12 ARG 84 25.553 -9.774 4.312 550 HH21 ARG 84 HH21 ARG 84 24.308 -6.580 4.585 551 HH22 ARG 84 HH22 ARG 84 25.637 -7.589 4.069 552 H ARG 85 H ARG 85 21.312 -7.982 11.893 553 HA ARG 85 HA ARG 85 20.951 -5.074 11.663 554 HB2 ARG 85 HB2 ARG 85 20.441 -6.917 14.054 555 HB3 ARG 85 HB3 ARG 85 20.292 -5.173 14.101 556 HG2 ARG 85 HG2 ARG 85 18.125 -5.642 13.664 557 HG3 ARG 85 HG3 ARG 85 18.720 -5.462 12.023 558 HD2 ARG 85 HD2 ARG 85 19.083 -8.153 12.537 559 HD3 ARG 85 HD3 ARG 85 17.667 -7.789 13.514 560 HE ARG 85 HE ARG 85 16.401 -7.534 11.556 561 HH11 ARG 85 HH11 ARG 85 19.722 -7.119 10.480 562 HH12 ARG 85 HH12 ARG 85 19.205 -7.243 8.799 563 HH21 ARG 85 HH21 ARG 85 16.002 -8.014 9.421 564 HH22 ARG 85 HH22 ARG 85 17.274 -7.644 8.261 565 H PHE 86 H PHE 86 23.127 -7.041 13.720 566 HA PHE 86 HA PHE 86 24.579 -4.934 14.897 567 HB2 PHE 86 HB2 PHE 86 24.676 -7.321 15.517 568 HB3 PHE 86 HB3 PHE 86 25.488 -7.701 14.008 569 HD1 PHE 86 HD2 PHE 86 25.854 -5.711 17.178 570 HD2 PHE 86 HD1 PHE 86 27.862 -7.657 13.890 571 HE1 PHE 86 HE2 PHE 86 28.032 -5.441 18.339 572 HE2 PHE 86 HE1 PHE 86 30.030 -7.375 15.054 573 HZ PHE 86 HZ PHE 86 30.126 -6.284 17.286 574 H LEU 87 H LEU 87 25.287 -6.577 11.759 575 HA LEU 87 HA LEU 87 27.479 -4.956 10.966 576 HB2 LEU 87 HB2 LEU 87 26.754 -7.124 9.947 577 HB3 LEU 87 HB3 LEU 87 25.323 -6.325 9.304 578 HG LEU 87 HG LEU 87 26.785 -4.855 7.905 579 HD11 LEU 87 HD11 LEU 87 28.881 -5.032 9.249 580 HD12 LEU 87 HD12 LEU 87 29.122 -5.493 7.554 581 HD13 LEU 87 HD13 LEU 87 29.001 -6.746 8.808 582 HD21 LEU 87 HD21 LEU 87 27.172 -7.856 7.531 583 HD22 LEU 87 HD22 LEU 87 27.328 -6.604 6.276 584 HD23 LEU 87 HD23 LEU 87 25.756 -6.910 7.023 585 H GLN 88 H GLN 88 23.987 -4.320 10.507 586 HA GLN 88 HA GLN 88 24.439 -1.909 8.964 587 HB2 GLN 88 HB2 GLN 88 21.982 -3.068 10.343 588 HB3 GLN 88 HB3 GLN 88 21.965 -1.586 9.369 589 HG2 GLN 88 HG2 GLN 88 22.789 -2.794 7.408 590 HG3 GLN 88 HG3 GLN 88 22.949 -4.274 8.311 591 HE21 GLN 88 HE21 GLN 88 20.450 -1.910 7.172 592 HE22 GLN 88 HE22 GLN 88 19.296 -3.190 6.854 593 H CYS 89 H CYS 89 23.911 -2.488 12.478 594 HA CYS 89 HA CYS 89 23.943 0.345 13.154 595 HB2 CYS 89 2HB CYS 89 24.857 -1.949 14.904 596 HB3 CYS 89 3HB CYS 89 24.242 -0.388 15.410 597 H ALA 90 H ALA 90 26.515 -2.127 12.797 598 HA ALA 90 HA ALA 90 28.697 -0.412 13.515 599 HB1 ALA 90 HB1 ALA 90 30.060 -2.201 12.531 600 HB2 ALA 90 HB2 ALA 90 28.793 -2.870 13.573 601 HB3 ALA 90 HB3 ALA 90 28.614 -2.929 11.806 602 H GLU 91 H GLU 91 26.919 -0.823 10.466 603 HA GLU 91 HA GLU 91 28.788 0.552 8.771 604 HB2 GLU 91 HB2 GLU 91 26.702 -0.905 8.173 605 HB3 GLU 91 HB3 GLU 91 25.774 0.573 8.437 606 HG2 GLU 91 HG2 GLU 91 27.478 1.673 6.766 607 HG3 GLU 91 HG3 GLU 91 27.902 0.017 6.343 608 H GLN 92 H GLN 92 26.234 1.741 10.958 609 HA GLN 92 HA GLN 92 26.316 4.429 9.866 610 HB2 GLN 92 HB2 GLN 92 24.265 3.411 10.677 611 HB3 GLN 92 HB3 GLN 92 24.937 3.244 12.300 612 HG2 GLN 92 HG2 GLN 92 23.385 5.133 12.180 613 HG3 GLN 92 HG3 GLN 92 25.005 5.668 12.574 614 HE21 GLN 92 HE21 GLN 92 24.485 7.789 11.944 615 HE22 GLN 92 HE22 GLN 92 24.232 8.253 10.262 616 H VAL 93 H VAL 93 27.897 2.894 12.658 617 HA VAL 93 HA VAL 93 28.864 5.393 13.770 618 HB VAL 93 HB VAL 93 30.507 4.094 15.019 619 HG11 VAL 93 HG11 VAL 93 27.744 2.834 15.104 620 HG12 VAL 93 HG12 VAL 93 28.962 2.806 16.393 621 HG13 VAL 93 HG13 VAL 93 28.229 4.341 15.910 622 HG21 VAL 93 HG21 VAL 93 30.572 1.665 14.936 623 HG22 VAL 93 HG22 VAL 93 29.383 1.651 13.625 624 HG23 VAL 93 HG23 VAL 93 31.006 2.314 13.347 Start of MODEL 20 1 H TYR 11 H TYR 11 1.147 16.729 -0.590 2 HA TYR 11 HA TYR 11 2.959 14.496 -1.264 3 HB2 TYR 11 HB2 TYR 11 2.674 13.715 0.744 4 HB3 TYR 11 HB3 TYR 11 2.069 15.304 1.136 5 HD1 TYR 11 HD1 TYR 11 -0.708 15.294 0.146 6 HD2 TYR 11 HD2 TYR 11 1.564 12.157 2.052 7 HE1 TYR 11 HE1 TYR 11 -2.817 14.255 0.963 8 HE2 TYR 11 HE2 TYR 11 -0.548 11.110 2.836 9 HH TYR 11 HH TYR 11 -2.833 11.210 2.813 10 H CYS 12 H CYS 12 1.768 12.225 -1.199 11 HA CYS 12 HA CYS 12 0.027 12.321 -3.618 12 HB2 CYS 12 2HB CYS 12 1.387 10.120 -4.064 13 HB3 CYS 12 3HB CYS 12 1.966 11.704 -4.502 14 H GLY 13 H GLY 13 -1.560 10.850 -3.954 15 HA2 GLY 13 HA2 GLY 13 -2.960 9.976 -1.554 16 HA3 GLY 13 HA3 GLY 13 -3.569 10.013 -3.208 17 H ARG 14 H ARG 14 -0.837 8.368 -3.665 18 HA ARG 14 HA ARG 14 -1.629 5.752 -3.847 19 HB2 ARG 14 HB2 ARG 14 0.602 5.139 -3.938 20 HB3 ARG 14 HB3 ARG 14 0.537 6.781 -4.569 21 HG2 ARG 14 HG2 ARG 14 1.726 5.665 -2.071 22 HG3 ARG 14 HG3 ARG 14 2.521 6.589 -3.308 23 HD2 ARG 14 HD2 ARG 14 1.563 8.652 -2.509 24 HD3 ARG 14 HD3 ARG 14 0.532 7.808 -1.361 25 HE ARG 14 HE ARG 14 3.372 7.280 -0.955 26 HH11 ARG 14 HH11 ARG 14 0.802 9.529 0.087 27 HH12 ARG 14 HH12 ARG 14 1.584 9.621 1.673 28 HH21 ARG 14 HH21 ARG 14 4.257 7.717 0.978 29 HH22 ARG 14 HH22 ARG 14 3.375 8.711 2.118 30 H GLU 15 H GLU 15 -1.335 7.295 -0.808 31 HA GLU 15 HA GLU 15 -0.935 4.779 0.677 32 HB2 GLU 15 HB2 GLU 15 0.042 7.037 1.317 33 HB3 GLU 15 HB3 GLU 15 -1.591 7.561 1.741 34 HG2 GLU 15 HG2 GLU 15 -1.674 5.692 3.430 35 HG3 GLU 15 HG3 GLU 15 -0.020 5.260 2.992 36 H LEU 16 H LEU 16 -3.725 6.682 -0.372 37 HA LEU 16 HA LEU 16 -5.450 4.710 1.034 38 HB2 LEU 16 HB2 LEU 16 -6.138 7.091 1.127 39 HB3 LEU 16 HB3 LEU 16 -6.203 7.146 -0.634 40 HG LEU 16 HG LEU 16 -8.024 5.513 -0.652 41 HD11 LEU 16 HD11 LEU 16 -9.188 4.900 1.472 42 HD12 LEU 16 HD12 LEU 16 -7.840 5.599 2.394 43 HD13 LEU 16 HD13 LEU 16 -7.580 4.171 1.360 44 HD21 LEU 16 HD21 LEU 16 -8.552 7.807 1.258 45 HD22 LEU 16 HD22 LEU 16 -9.784 6.875 0.383 46 HD23 LEU 16 HD23 LEU 16 -8.626 7.844 -0.525 47 H GLU 17 H GLU 17 -4.339 5.568 -2.221 48 HA GLU 17 HA GLU 17 -6.178 3.700 -3.471 49 HB2 GLU 17 HB2 GLU 17 -3.775 5.238 -4.538 50 HB3 GLU 17 HB3 GLU 17 -4.827 4.225 -5.540 51 HG2 GLU 17 HG2 GLU 17 -6.782 5.589 -4.954 52 HG3 GLU 17 HG3 GLU 17 -5.802 6.585 -3.876 53 H GLN 18 H GLN 18 -2.748 3.228 -2.455 54 HA GLN 18 HA GLN 18 -2.763 0.599 -3.787 55 HB2 GLN 18 HB2 GLN 18 -0.738 2.188 -3.199 56 HB3 GLN 18 HB3 GLN 18 -0.824 1.385 -1.632 57 HG2 GLN 18 HG2 GLN 18 -0.329 0.170 -4.381 58 HG3 GLN 18 HG3 GLN 18 0.815 0.278 -3.056 59 HE21 GLN 18 HE21 GLN 18 -1.334 -1.805 -4.636 60 HE22 GLN 18 HE22 GLN 18 -1.479 -3.009 -3.354 61 H TYR 19 H TYR 19 -3.130 1.851 -0.405 62 HA TYR 19 HA TYR 19 -3.551 -0.784 0.712 63 HB2 TYR 19 HB2 TYR 19 -4.198 1.985 1.761 64 HB3 TYR 19 HB3 TYR 19 -4.350 0.511 2.693 65 HD1 TYR 19 HD1 TYR 19 -1.469 -0.449 1.125 66 HD2 TYR 19 HD2 TYR 19 -2.842 2.708 3.743 67 HE1 TYR 19 HE1 TYR 19 0.801 -0.217 2.055 68 HE2 TYR 19 HE2 TYR 19 -0.554 2.936 4.659 69 HH TYR 19 HH TYR 19 1.592 2.165 4.618 70 H GLY 20 H GLY 20 -5.744 1.430 -0.937 71 HA2 GLY 20 HA2 GLY 20 -8.092 0.066 -0.024 72 HA3 GLY 20 HA3 GLY 20 -7.995 1.163 -1.445 73 H GLN 21 H GLN 21 -5.789 -0.917 -2.443 74 HA GLN 21 HA GLN 21 -7.593 -3.283 -2.892 75 HB2 GLN 21 HB2 GLN 21 -4.816 -2.596 -3.913 76 HB3 GLN 21 HB3 GLN 21 -5.290 -4.279 -3.728 77 HG2 GLN 21 HG2 GLN 21 -5.874 -3.863 -5.931 78 HG3 GLN 21 HG3 GLN 21 -7.420 -3.646 -5.124 79 HE21 GLN 21 HE21 GLN 21 -8.350 -1.431 -5.115 80 HE22 GLN 21 HE22 GLN 21 -7.597 -0.202 -6.137 81 H CYS 22 H CYS 22 -4.389 -2.630 -1.448 82 HA CYS 22 HA CYS 22 -4.251 -5.308 -0.659 83 HB2 CYS 22 2HB CYS 22 -2.433 -3.614 -1.300 84 HB3 CYS 22 3HB CYS 22 -2.522 -3.002 0.344 85 H VAL 23 H VAL 23 -5.551 -2.709 1.331 86 HA VAL 23 HA VAL 23 -5.663 -4.574 3.678 87 HB VAL 23 HB VAL 23 -6.637 -1.693 3.433 88 HG11 VAL 23 HG11 VAL 23 -7.871 -2.884 5.181 89 HG12 VAL 23 HG12 VAL 23 -6.353 -3.509 5.864 90 HG13 VAL 23 HG13 VAL 23 -6.723 -1.772 5.920 91 HG21 VAL 23 HG21 VAL 23 -4.158 -2.763 4.847 92 HG22 VAL 23 HG22 VAL 23 -4.143 -1.820 3.342 93 HG23 VAL 23 HG23 VAL 23 -4.725 -1.082 4.830 94 H ALA 24 H ALA 24 -7.595 -3.248 1.029 95 HA ALA 24 HA ALA 24 -10.127 -3.773 2.314 96 HB1 ALA 24 HB1 ALA 24 -9.669 -1.962 0.629 97 HB2 ALA 24 HB2 ALA 24 -9.542 -3.259 -0.604 98 HB3 ALA 24 HB3 ALA 24 -11.070 -2.988 0.243 99 H ALA 25 H ALA 25 -8.026 -5.778 0.295 100 HA ALA 25 HA ALA 25 -10.108 -7.784 -0.200 101 HB1 ALA 25 HB1 ALA 25 -8.114 -9.221 -0.726 102 HB2 ALA 25 HB2 ALA 25 -8.157 -7.699 -1.638 103 HB3 ALA 25 HB3 ALA 25 -7.058 -7.875 -0.260 104 H LYS 26 H LYS 26 -7.272 -7.746 2.069 105 HA LYS 26 HA LYS 26 -9.049 -8.625 4.274 106 HB2 LYS 26 HB2 LYS 26 -6.536 -10.131 3.451 107 HB3 LYS 26 HB3 LYS 26 -7.425 -10.391 4.962 108 HG2 LYS 26 HG2 LYS 26 -9.462 -10.964 3.611 109 HG3 LYS 26 HG3 LYS 26 -8.452 -10.909 2.148 110 HD2 LYS 26 HD2 LYS 26 -6.991 -12.678 3.234 111 HD3 LYS 26 HD3 LYS 26 -8.234 -12.847 4.482 112 HE2 LYS 26 HE2 LYS 26 -8.632 -13.217 1.468 113 HE3 LYS 26 HE3 LYS 26 -8.424 -14.522 2.634 114 HZ1 LYS 26 HZ1 LYS 26 -10.489 -13.831 3.706 115 HZ2 LYS 26 HZ2 LYS 26 -10.725 -14.230 2.141 116 HZ3 LYS 26 HZ3 LYS 26 -10.733 -12.644 2.580 117 HA PRO 27 HA PRO 27 -6.322 -6.032 6.830 118 HB2 PRO 27 HB2 PRO 27 -6.844 -8.347 8.717 119 HB3 PRO 27 HB3 PRO 27 -6.786 -6.593 9.074 120 HG2 PRO 27 HG2 PRO 27 -9.171 -7.820 8.793 121 HG3 PRO 27 HG3 PRO 27 -8.896 -6.226 8.010 122 HD2 PRO 27 HD2 PRO 27 -8.827 -8.974 6.751 123 HD3 PRO 27 HD3 PRO 27 -9.507 -7.454 6.121 124 H GLU 28 H GLU 28 -5.822 -9.563 6.480 125 HA GLU 28 HA GLU 28 -2.946 -9.421 7.057 126 HB2 GLU 28 HB2 GLU 28 -4.432 -11.323 7.708 127 HB3 GLU 28 HB3 GLU 28 -4.647 -11.709 5.995 128 HG2 GLU 28 HG2 GLU 28 -2.217 -12.128 5.777 129 HG3 GLU 28 HG3 GLU 28 -1.965 -11.634 7.456 130 H SER 29 H SER 29 -4.822 -9.086 4.054 131 HA SER 29 HA SER 29 -2.630 -9.952 2.368 132 HB2 SER 29 HB2 SER 29 -3.783 -8.788 0.523 133 HB3 SER 29 HB3 SER 29 -4.754 -10.002 1.357 134 HG SER 29 HG SER 29 -4.915 -7.189 1.807 135 H TRP 30 H TRP 30 -3.192 -7.060 4.198 136 HA TRP 30 HA TRP 30 -1.407 -5.279 2.934 137 HB2 TRP 30 HB2 TRP 30 -3.029 -4.967 4.916 138 HB3 TRP 30 HB3 TRP 30 -1.739 -5.587 5.933 139 HD1 TRP 30 HD1 TRP 30 -1.601 -3.011 3.044 140 HE1 TRP 30 HE1 TRP 30 -0.748 -0.765 3.922 141 HE3 TRP 30 HE3 TRP 30 -1.060 -4.195 8.011 142 HZ2 TRP 30 HZ2 TRP 30 0.177 0.353 6.397 143 HZ3 TRP 30 HZ3 TRP 30 -0.195 -2.491 9.601 144 HH2 TRP 30 HH2 TRP 30 0.420 -0.225 8.816 145 H GLN 31 H GLN 31 -0.649 -8.173 4.812 146 HA GLN 31 HA GLN 31 2.259 -7.589 4.618 147 HB2 GLN 31 HB2 GLN 31 1.342 -8.520 6.715 148 HB3 GLN 31 HB3 GLN 31 0.884 -9.997 5.856 149 HG2 GLN 31 HG2 GLN 31 3.187 -10.551 5.410 150 HG3 GLN 31 HG3 GLN 31 3.737 -8.922 5.826 151 HE21 GLN 31 HE21 GLN 31 3.803 -8.267 8.100 152 HE22 GLN 31 HE22 GLN 31 3.861 -9.526 9.327 153 H ARG 32 H ARG 32 -0.201 -9.768 3.207 154 HA ARG 32 HA ARG 32 1.857 -11.280 1.764 155 HB2 ARG 32 HB2 ARG 32 -1.155 -11.546 1.535 156 HB3 ARG 32 HB3 ARG 32 0.069 -12.675 0.953 157 HG2 ARG 32 HG2 ARG 32 0.852 -12.880 3.405 158 HG3 ARG 32 HG3 ARG 32 -0.649 -12.035 3.830 159 HD2 ARG 32 HD2 ARG 32 -1.885 -13.815 2.465 160 HD3 ARG 32 HD3 ARG 32 -0.367 -14.704 2.372 161 HE ARG 32 HE ARG 32 -2.158 -14.400 4.677 162 HH11 ARG 32 HH11 ARG 32 1.184 -15.352 3.868 163 HH12 ARG 32 HH12 ARG 32 1.237 -16.308 5.353 164 HH21 ARG 32 HH21 ARG 32 -1.846 -15.536 6.461 165 HH22 ARG 32 HH22 ARG 32 -0.327 -16.415 6.712 166 H ASP 33 H ASP 33 -0.427 -8.800 0.606 167 HA ASP 33 HA ASP 33 0.042 -9.683 -2.165 168 HB2 ASP 33 HB2 ASP 33 -2.248 -9.188 -1.098 169 HB3 ASP 33 HB3 ASP 33 -1.886 -7.470 -1.364 170 H CYS 34 H CYS 34 0.939 -6.921 -0.199 171 HA CYS 34 HA CYS 34 2.354 -5.704 -2.546 172 HB2 CYS 34 2HB CYS 34 1.688 -3.518 -1.570 173 HB3 CYS 34 3HB CYS 34 0.314 -4.466 -2.103 174 H HIS 35 H HIS 35 4.448 -6.642 -1.911 175 HA HIS 35 HA HIS 35 5.437 -5.773 0.757 176 HB2 HIS 35 2HB HIS 35 7.207 -7.241 0.630 177 HB3 HIS 35 3HB HIS 35 5.739 -8.113 0.250 178 HD1 HIS 35 1HD HIS 35 9.051 -7.028 -1.322 179 HD2 HIS 35 2HD HIS 35 5.666 -9.406 -2.078 180 HE1 HIS 35 1HE HIS 35 9.634 -8.497 -3.319 181 H TYR 36 H TYR 36 6.788 -5.617 -2.605 182 HA TYR 36 HA TYR 36 8.361 -3.255 -1.828 183 HB2 TYR 36 HB2 TYR 36 9.173 -4.948 -3.463 184 HB3 TYR 36 HB3 TYR 36 7.908 -4.428 -4.579 185 HD1 TYR 36 HD1 TYR 36 11.048 -3.411 -2.862 186 HD2 TYR 36 HD2 TYR 36 8.078 -2.344 -5.807 187 HE1 TYR 36 HE1 TYR 36 12.495 -1.538 -3.642 188 HE2 TYR 36 HE2 TYR 36 9.506 -0.460 -6.550 189 HH TYR 36 HH TYR 36 12.718 0.198 -5.117 190 H LEU 37 H LEU 37 5.227 -3.871 -3.352 191 HA LEU 37 HA LEU 37 4.678 -1.197 -4.202 192 HB2 LEU 37 HB2 LEU 37 2.991 -3.561 -3.395 193 HB3 LEU 37 HB3 LEU 37 2.239 -1.976 -3.582 194 HG LEU 37 HG LEU 37 3.091 -1.821 -5.897 195 HD11 LEU 37 HD11 LEU 37 3.869 -3.855 -7.056 196 HD12 LEU 37 HD12 LEU 37 3.977 -4.710 -5.506 197 HD13 LEU 37 HD13 LEU 37 5.036 -3.316 -5.859 198 HD21 LEU 37 HD21 LEU 37 0.832 -2.673 -5.443 199 HD22 LEU 37 HD22 LEU 37 1.464 -4.330 -5.286 200 HD23 LEU 37 HD23 LEU 37 1.527 -3.483 -6.846 201 H LYS 38 H LYS 38 4.337 -2.644 -0.889 202 HA LYS 38 HA LYS 38 3.359 -0.190 0.291 203 HB2 LYS 38 HB2 LYS 38 3.030 -2.382 1.322 204 HB3 LYS 38 HB3 LYS 38 4.775 -2.582 1.543 205 HG2 LYS 38 HG2 LYS 38 4.838 -0.733 3.126 206 HG3 LYS 38 HG3 LYS 38 3.136 -0.343 2.808 207 HD2 LYS 38 HD2 LYS 38 2.444 -2.511 3.782 208 HD3 LYS 38 HD3 LYS 38 4.147 -2.956 3.995 209 HE2 LYS 38 HE2 LYS 38 4.411 -0.896 5.463 210 HE3 LYS 38 HE3 LYS 38 2.650 -0.713 5.417 211 HZ1 LYS 38 HZ1 LYS 38 2.469 -2.938 6.440 212 HZ2 LYS 38 HZ2 LYS 38 3.508 -2.019 7.360 213 HZ3 LYS 38 HZ3 LYS 38 4.068 -3.156 6.348 214 H MET 39 H MET 39 6.668 -1.351 -0.281 215 HA MET 39 HA MET 39 8.002 0.855 1.036 216 HB2 MET 39 HB2 MET 39 8.935 -0.763 -1.379 217 HB3 MET 39 HB3 MET 39 9.926 0.263 -0.349 218 HG2 MET 39 HG2 MET 39 9.588 -1.185 1.552 219 HG3 MET 39 HG3 MET 39 8.384 -2.125 0.673 220 HE1 MET 39 HE1 MET 39 12.224 -1.168 0.807 221 HE2 MET 39 HE2 MET 39 12.905 -2.276 -0.402 222 HE3 MET 39 HE3 MET 39 11.878 -0.924 -0.921 223 H SER 40 H SER 40 6.723 0.424 -2.256 224 HA SER 40 HA SER 40 7.759 2.791 -3.427 225 HB2 SER 40 HB2 SER 40 5.263 1.204 -4.093 226 HB3 SER 40 HB3 SER 40 6.043 2.399 -5.150 227 HG SER 40 HG SER 40 7.180 -0.034 -4.155 228 H ILE 41 H ILE 41 4.897 2.358 -1.398 229 HA ILE 41 HA ILE 41 3.802 5.023 -1.758 230 HB ILE 41 HB ILE 41 3.645 3.171 0.648 231 HG12 ILE 41 HG12 ILE 41 1.559 3.310 -1.583 232 HG13 ILE 41 HG13 ILE 41 2.824 2.100 -1.521 233 HG21 ILE 41 HG21 ILE 41 1.484 5.174 -0.102 234 HG22 ILE 41 HG22 ILE 41 1.693 4.274 1.393 235 HG23 ILE 41 HG23 ILE 41 2.813 5.566 1.031 236 HD11 ILE 41 HD11 ILE 41 1.057 1.007 -0.488 237 HD12 ILE 41 HD12 ILE 41 2.030 1.580 0.873 238 HD13 ILE 41 HD13 ILE 41 0.549 2.456 0.412 239 H ALA 42 H ALA 42 6.120 3.631 0.617 240 HA ALA 42 HA ALA 42 6.502 6.073 2.048 241 HB1 ALA 42 HB1 ALA 42 8.473 4.970 2.986 242 HB2 ALA 42 HB2 ALA 42 7.103 3.847 2.935 243 HB3 ALA 42 HB3 ALA 42 8.409 3.713 1.737 244 H GLN 43 H GLN 43 8.306 4.634 -0.694 245 HA GLN 43 HA GLN 43 10.247 6.672 -1.062 246 HB2 GLN 43 HB2 GLN 43 8.877 4.798 -3.033 247 HB3 GLN 43 HB3 GLN 43 10.308 5.747 -3.429 248 HG2 GLN 43 HG2 GLN 43 11.704 4.524 -1.939 249 HG3 GLN 43 HG3 GLN 43 10.344 3.815 -1.083 250 HE21 GLN 43 HE21 GLN 43 11.373 1.695 -1.491 251 HE22 GLN 43 HE22 GLN 43 11.146 0.970 -3.095 252 H CYS 44 H CYS 44 6.816 6.693 -2.116 253 HA CYS 44 HA CYS 44 7.127 9.021 -3.800 254 HB2 CYS 44 2HB CYS 44 5.162 7.476 -3.831 255 HB3 CYS 44 3HB CYS 44 4.632 8.170 -2.304 256 H THR 45 H THR 45 6.475 8.652 -0.273 257 HA THR 45 HA THR 45 6.345 11.504 0.244 258 HB THR 45 HB THR 45 7.577 10.364 2.514 259 HG1 THR 45 HG1 THR 45 7.183 8.322 1.743 260 HG21 THR 45 HG21 THR 45 5.762 12.004 2.549 261 HG22 THR 45 HG22 THR 45 5.325 10.581 3.507 262 HG23 THR 45 HG23 THR 45 4.627 10.805 1.885 263 H SER 46 H SER 46 9.138 9.241 0.047 264 HA SER 46 HA SER 46 11.136 11.145 0.652 265 HB2 SER 46 HB2 SER 46 11.517 8.861 -1.283 266 HB3 SER 46 HB3 SER 46 12.692 9.596 -0.192 267 HG SER 46 HG SER 46 11.111 8.821 1.544 268 H SER 47 H SER 47 9.400 10.669 -2.384 269 HA SER 47 HA SER 47 11.115 12.402 -3.977 270 HB2 SER 47 HB2 SER 47 8.310 11.331 -4.454 271 HB3 SER 47 HB3 SER 47 9.285 12.198 -5.645 272 HG SER 47 HG SER 47 10.587 10.550 -5.884 273 H HIS 48 H HIS 48 8.969 13.230 -1.505 274 HA HIS 48 HA HIS 48 8.546 15.976 -2.592 275 HB2 HIS 48 2HB HIS 48 6.405 14.264 -1.278 276 HB3 HIS 48 3HB HIS 48 6.231 15.947 -1.780 277 HD1 HIS 48 1HD HIS 48 6.178 12.429 -3.193 278 HD2 HIS 48 2HD HIS 48 6.126 16.433 -4.489 279 HE1 HIS 48 1HE HIS 48 5.395 12.383 -5.625 280 HA PRO 49 HA PRO 49 10.069 15.698 1.856 281 HB2 PRO 49 HB2 PRO 49 12.512 16.891 1.700 282 HB3 PRO 49 HB3 PRO 49 12.236 15.192 1.199 283 HG2 PRO 49 HG2 PRO 49 12.263 17.663 -0.574 284 HG3 PRO 49 HG3 PRO 49 13.189 16.138 -0.788 285 HD2 PRO 49 HD2 PRO 49 10.822 16.554 -2.065 286 HD3 PRO 49 HD3 PRO 49 11.266 14.944 -1.419 287 H ILE 50 H ILE 50 10.388 17.253 3.465 288 HA ILE 50 HA ILE 50 10.178 20.132 3.035 289 HB ILE 50 HB ILE 50 8.308 20.249 4.777 290 HG12 ILE 50 HG12 ILE 50 7.578 17.444 3.876 291 HG13 ILE 50 HG13 ILE 50 8.470 17.753 5.365 292 HG21 ILE 50 HG21 ILE 50 6.547 20.160 3.094 293 HG22 ILE 50 HG22 ILE 50 8.021 20.884 2.447 294 HG23 ILE 50 HG23 ILE 50 7.615 19.215 2.029 295 HD11 ILE 50 HD11 ILE 50 6.079 17.496 5.818 296 HD12 ILE 50 HD12 ILE 50 6.634 19.123 6.248 297 HD13 ILE 50 HD13 ILE 50 5.700 18.866 4.765 298 H ILE 51 H ILE 51 10.251 21.222 5.236 299 HA ILE 51 HA ILE 51 11.371 21.734 7.095 300 HB ILE 51 HB ILE 51 10.831 18.919 8.045 301 HG12 ILE 51 HG12 ILE 51 9.005 21.372 8.148 302 HG13 ILE 51 HG13 ILE 51 8.758 19.965 7.117 303 HG21 ILE 51 HG21 ILE 51 11.118 21.591 9.523 304 HG22 ILE 51 HG22 ILE 51 10.838 20.010 10.275 305 HG23 ILE 51 HG23 ILE 51 12.362 20.330 9.467 306 HD11 ILE 51 HD11 ILE 51 7.286 19.770 8.982 307 HD12 ILE 51 HD12 ILE 51 8.531 18.516 9.123 308 HD13 ILE 51 HD13 ILE 51 8.599 19.975 10.145 309 H ARG 52 H ARG 52 13.288 22.187 6.178 310 HA ARG 52 HA ARG 52 15.443 20.603 5.431 311 HB2 ARG 52 HB2 ARG 52 15.252 23.044 5.107 312 HB3 ARG 52 HB3 ARG 52 15.490 23.309 6.832 313 HG2 ARG 52 HG2 ARG 52 17.773 22.329 6.667 314 HG3 ARG 52 HG3 ARG 52 17.554 22.101 4.925 315 HD2 ARG 52 HD2 ARG 52 17.230 24.814 6.269 316 HD3 ARG 52 HD3 ARG 52 18.812 24.199 5.829 317 HE ARG 52 HE ARG 52 16.566 24.781 3.909 318 HH11 ARG 52 HH11 ARG 52 20.089 24.626 4.445 319 HH12 ARG 52 HH12 ARG 52 20.358 25.351 2.867 320 HH21 ARG 52 HH21 ARG 52 17.160 25.726 1.921 321 HH22 ARG 52 HH22 ARG 52 18.864 26.039 1.684 322 H GLN 53 H GLN 53 14.854 21.741 8.803 323 HA GLN 53 HA GLN 53 17.220 20.715 9.927 324 HB2 GLN 53 HB2 GLN 53 15.631 22.220 11.081 325 HB3 GLN 53 HB3 GLN 53 14.462 20.894 11.217 326 HG2 GLN 53 HG2 GLN 53 16.104 19.607 12.597 327 HG3 GLN 53 HG3 GLN 53 17.267 20.923 12.429 328 HE21 GLN 53 HE21 GLN 53 16.960 20.338 14.899 329 HE22 GLN 53 HE22 GLN 53 15.828 21.398 15.734 330 H ILE 54 H ILE 54 14.226 18.908 9.178 331 HA ILE 54 HA ILE 54 15.132 16.489 10.600 332 HB ILE 54 HB ILE 54 12.727 16.937 8.793 333 HG12 ILE 54 HG12 ILE 54 12.917 16.836 11.846 334 HG13 ILE 54 HG13 ILE 54 12.685 18.299 10.898 335 HG21 ILE 54 HG21 ILE 54 11.897 14.794 9.706 336 HG22 ILE 54 HG22 ILE 54 13.443 14.529 8.926 337 HG23 ILE 54 HG23 ILE 54 13.364 14.624 10.693 338 HD11 ILE 54 HD11 ILE 54 10.709 16.015 11.188 339 HD12 ILE 54 HD12 ILE 54 10.549 17.686 11.740 340 HD13 ILE 54 HD13 ILE 54 10.534 17.330 10.002 341 H ARG 55 H ARG 55 14.861 17.642 7.219 342 HA ARG 55 HA ARG 55 15.901 15.339 5.883 343 HB2 ARG 55 HB2 ARG 55 14.992 17.768 5.089 344 HB3 ARG 55 HB3 ARG 55 16.705 18.119 5.002 345 HG2 ARG 55 HG2 ARG 55 15.144 15.970 3.516 346 HG3 ARG 55 HG3 ARG 55 15.818 17.442 2.836 347 HD2 ARG 55 HD2 ARG 55 17.362 15.025 3.828 348 HD3 ARG 55 HD3 ARG 55 17.098 15.519 2.157 349 HE ARG 55 HE ARG 55 18.454 17.587 3.722 350 HH11 ARG 55 HH11 ARG 55 19.068 14.740 1.702 351 HH12 ARG 55 HH12 ARG 55 20.753 15.169 1.527 352 HH21 ARG 55 HH21 ARG 55 20.539 18.029 3.444 353 HH22 ARG 55 HH22 ARG 55 21.526 17.074 2.358 354 H GLN 56 H GLN 56 17.602 18.035 7.413 355 HA GLN 56 HA GLN 56 20.244 17.043 6.896 356 HB2 GLN 56 HB2 GLN 56 19.499 19.397 7.115 357 HB3 GLN 56 HB3 GLN 56 19.251 19.162 8.851 358 HG2 GLN 56 HG2 GLN 56 21.635 18.799 9.190 359 HG3 GLN 56 HG3 GLN 56 21.911 18.729 7.439 360 HE21 GLN 56 HE21 GLN 56 23.544 20.418 8.599 361 HE22 GLN 56 HE22 GLN 56 23.001 22.088 8.323 362 H ALA 57 H ALA 57 17.995 16.182 9.433 363 HA ALA 57 HA ALA 57 19.766 15.880 11.597 364 HB1 ALA 57 HB1 ALA 57 17.328 16.028 11.804 365 HB2 ALA 57 HB2 ALA 57 17.142 14.441 11.038 366 HB3 ALA 57 HB3 ALA 57 17.934 14.585 12.616 367 H CYS 58 H CYS 58 19.728 13.918 8.827 368 HA CYS 58 HA CYS 58 20.765 11.420 9.808 369 HB2 CYS 58 2HB CYS 58 21.500 11.214 7.439 370 HB3 CYS 58 3HB CYS 58 19.807 11.684 7.594 371 H ALA 59 H ALA 59 22.144 14.358 10.322 372 HA ALA 59 HA ALA 59 24.524 14.645 9.197 373 HB1 ALA 59 HB1 ALA 59 23.901 15.228 12.120 374 HB2 ALA 59 HB2 ALA 59 25.042 16.101 11.085 375 HB3 ALA 59 HB3 ALA 59 23.312 16.189 10.756 376 H GLN 60 H GLN 60 24.201 12.406 12.018 377 HA GLN 60 HA GLN 60 27.075 12.169 12.293 378 HB2 GLN 60 HB2 GLN 60 25.648 11.919 14.197 379 HB3 GLN 60 HB3 GLN 60 24.852 10.505 13.507 380 HG2 GLN 60 HG2 GLN 60 27.010 9.267 13.541 381 HG3 GLN 60 HG3 GLN 60 27.824 10.696 14.188 382 HE21 GLN 60 HE21 GLN 60 28.123 8.395 15.633 383 HE22 GLN 60 HE22 GLN 60 27.075 8.419 17.037 384 HA PRO 61 HA PRO 61 26.871 8.042 9.919 385 HB2 PRO 61 HB2 PRO 61 24.619 7.318 8.500 386 HB3 PRO 61 HB3 PRO 61 24.964 6.821 10.183 387 HG2 PRO 61 HG2 PRO 61 23.226 9.116 9.240 388 HG3 PRO 61 HG3 PRO 61 22.854 7.875 10.479 389 HD2 PRO 61 HD2 PRO 61 23.744 10.313 11.214 390 HD3 PRO 61 HD3 PRO 61 24.317 8.849 12.048 391 H PHE 62 H PHE 62 25.078 10.830 8.576 392 HA PHE 62 HA PHE 62 25.955 10.687 5.877 393 HB2 PHE 62 HB2 PHE 62 24.212 12.171 6.687 394 HB3 PHE 62 HB3 PHE 62 25.342 12.997 7.746 395 HD1 PHE 62 HD1 PHE 62 24.328 12.517 4.195 396 HD2 PHE 62 HD2 PHE 62 26.621 14.854 7.007 397 HE1 PHE 62 HE1 PHE 62 24.596 14.317 2.494 398 HE2 PHE 62 HE2 PHE 62 26.838 16.656 5.316 399 HZ PHE 62 HZ PHE 62 25.850 16.386 3.065 400 H GLU 63 H GLU 63 27.642 12.061 8.760 401 HA GLU 63 HA GLU 63 30.050 12.690 7.226 402 HB2 GLU 63 HB2 GLU 63 29.333 12.678 10.166 403 HB3 GLU 63 HB3 GLU 63 31.006 12.853 9.637 404 HG2 GLU 63 HG2 GLU 63 30.334 14.787 8.193 405 HG3 GLU 63 HG3 GLU 63 28.709 14.702 8.889 406 H ALA 64 H ALA 64 28.906 9.746 8.825 407 HA ALA 64 HA ALA 64 31.537 8.564 9.083 408 HB1 ALA 64 HB1 ALA 64 29.581 7.931 10.477 409 HB2 ALA 64 HB2 ALA 64 28.811 7.213 9.037 410 HB3 ALA 64 HB3 ALA 64 30.326 6.542 9.663 411 H PHE 65 H PHE 65 29.002 8.350 6.543 412 HA PHE 65 HA PHE 65 30.595 6.583 4.839 413 HB2 PHE 65 HB2 PHE 65 28.099 8.246 4.467 414 HB3 PHE 65 HB3 PHE 65 28.954 7.627 3.065 415 HD1 PHE 65 HD1 PHE 65 27.329 6.498 6.263 416 HD2 PHE 65 HD2 PHE 65 28.737 5.374 2.341 417 HE1 PHE 65 HE1 PHE 65 26.316 4.250 6.539 418 HE2 PHE 65 HE2 PHE 65 27.704 3.140 2.614 419 HZ PHE 65 HZ PHE 65 26.501 2.565 4.714 420 H GLU 66 H GLU 66 30.325 10.144 5.117 421 HA GLU 66 HA GLU 66 32.083 10.857 2.983 422 HB2 GLU 66 HB2 GLU 66 30.715 12.418 4.391 423 HB3 GLU 66 HB3 GLU 66 31.774 12.100 5.743 424 HG2 GLU 66 HG2 GLU 66 33.712 13.002 4.417 425 HG3 GLU 66 HG3 GLU 66 32.562 13.474 3.161 426 H GLU 67 H GLU 67 32.821 10.057 6.410 427 HA GLU 67 HA GLU 67 35.634 10.289 6.304 428 HB2 GLU 67 HB2 GLU 67 34.362 10.285 8.366 429 HB3 GLU 67 HB3 GLU 67 33.758 8.672 8.044 430 HG2 GLU 67 HG2 GLU 67 35.368 8.480 9.732 431 HG3 GLU 67 HG3 GLU 67 36.054 7.743 8.301 432 H CYS 68 H CYS 68 33.568 7.533 5.293 433 HA CYS 68 HA CYS 68 35.719 5.650 5.246 434 HB2 CYS 68 2HB CYS 68 33.249 5.161 5.220 435 HB3 CYS 68 3HB CYS 68 33.250 5.516 3.489 436 H LEU 69 H LEU 69 34.556 7.873 2.626 437 HA LEU 69 HA LEU 69 36.769 7.218 0.900 438 HB2 LEU 69 HB2 LEU 69 34.498 9.232 0.784 439 HB3 LEU 69 HB3 LEU 69 35.736 9.106 -0.442 440 HG LEU 69 HG LEU 69 33.818 8.002 -1.246 441 HD11 LEU 69 HD11 LEU 69 35.909 6.814 -1.786 442 HD12 LEU 69 HD12 LEU 69 34.523 5.732 -1.704 443 HD13 LEU 69 HD13 LEU 69 35.680 5.758 -0.373 444 HD21 LEU 69 HD21 LEU 69 32.767 7.506 1.008 445 HD22 LEU 69 HD22 LEU 69 33.756 6.031 1.052 446 HD23 LEU 69 HD23 LEU 69 32.586 6.261 -0.242 447 H ARG 70 H ARG 70 36.413 9.355 3.650 448 HA ARG 70 HA ARG 70 38.754 10.971 2.932 449 HB2 ARG 70 HB2 ARG 70 37.161 11.592 4.725 450 HB3 ARG 70 HB3 ARG 70 37.796 10.262 5.720 451 HG2 ARG 70 HG2 ARG 70 40.034 11.188 5.704 452 HG3 ARG 70 HG3 ARG 70 39.563 12.441 4.545 453 HD2 ARG 70 HD2 ARG 70 38.502 12.146 7.382 454 HD3 ARG 70 HD3 ARG 70 39.747 13.248 6.832 455 HE ARG 70 HE ARG 70 38.071 14.344 5.356 456 HH11 ARG 70 HH11 ARG 70 36.586 12.309 7.857 457 HH12 ARG 70 HH12 ARG 70 35.073 13.160 7.692 458 HH21 ARG 70 HH21 ARG 70 36.169 15.138 5.094 459 HH22 ARG 70 HH22 ARG 70 34.796 14.688 6.107 460 H GLN 71 H GLN 71 38.293 7.975 4.716 461 HA GLN 71 HA GLN 71 41.113 7.336 4.879 462 HB2 GLN 71 HB2 GLN 71 38.622 5.647 5.298 463 HB3 GLN 71 HB3 GLN 71 40.273 5.138 5.689 464 HG2 GLN 71 HG2 GLN 71 40.481 7.013 7.299 465 HG3 GLN 71 HG3 GLN 71 38.855 7.560 6.905 466 HE21 GLN 71 HE21 GLN 71 38.421 7.315 9.244 467 HE22 GLN 71 HE22 GLN 71 38.070 5.690 9.849 468 H ASN 72 H ASN 72 38.634 6.400 2.474 469 HA ASN 72 HA ASN 72 40.719 4.945 0.892 470 HB2 ASN 72 HB2 ASN 72 37.863 4.007 1.210 471 HB3 ASN 72 HB3 ASN 72 39.183 3.134 0.524 472 HD21 ASN 72 HD21 ASN 72 37.640 4.086 3.490 473 HD22 ASN 72 HD22 ASN 72 38.508 2.961 4.533 474 H GLU 73 H GLU 73 39.917 7.612 0.203 475 HA GLU 73 HA GLU 73 37.623 8.114 -1.037 476 HB2 GLU 73 HB2 GLU 73 39.845 9.555 -0.702 477 HB3 GLU 73 HB3 GLU 73 40.242 9.057 -2.319 478 HG2 GLU 73 HG2 GLU 73 38.073 10.086 -3.123 479 HG3 GLU 73 HG3 GLU 73 37.777 10.642 -1.476 480 H ALA 74 H ALA 74 40.239 6.362 -2.598 481 HA ALA 74 HA ALA 74 39.203 6.378 -5.336 482 HB1 ALA 74 HB1 ALA 74 41.562 5.107 -3.886 483 HB2 ALA 74 HB2 ALA 74 41.350 5.106 -5.658 484 HB3 ALA 74 HB3 ALA 74 41.585 6.641 -4.797 485 H ALA 75 H ALA 75 38.972 4.182 -2.594 486 HA ALA 75 HA ALA 75 38.794 1.765 -4.302 487 HB1 ALA 75 HB1 ALA 75 38.936 1.983 -1.285 488 HB2 ALA 75 HB2 ALA 75 39.159 0.533 -2.271 489 HB3 ALA 75 HB3 ALA 75 40.356 1.843 -2.348 490 H VAL 76 H VAL 76 36.714 3.080 -4.971 491 HA VAL 76 HA VAL 76 34.617 3.313 -3.116 492 HB VAL 76 HB VAL 76 34.460 3.392 -6.156 493 HG11 VAL 76 HG11 VAL 76 32.191 3.413 -5.265 494 HG12 VAL 76 HG12 VAL 76 32.645 4.623 -4.039 495 HG13 VAL 76 HG13 VAL 76 32.605 5.045 -5.766 496 HG21 VAL 76 HG21 VAL 76 35.051 5.607 -4.146 497 HG22 VAL 76 HG22 VAL 76 36.172 4.967 -5.365 498 HG23 VAL 76 HG23 VAL 76 34.747 5.856 -5.879 499 H GLY 77 H GLY 77 35.534 0.442 -4.753 500 HA2 GLY 77 HA2 GLY 77 33.010 -1.011 -4.595 501 HA3 GLY 77 HA3 GLY 77 34.643 -1.683 -4.659 502 H ASN 78 H ASN 78 35.667 -0.291 -2.319 503 HA ASN 78 HA ASN 78 34.918 -2.109 -0.235 504 HB2 ASN 78 HB2 ASN 78 37.150 -0.837 -0.703 505 HB3 ASN 78 HB3 ASN 78 36.410 0.518 0.143 506 HD21 ASN 78 HD21 ASN 78 37.826 -2.684 0.450 507 HD22 ASN 78 HD22 ASN 78 37.800 -2.683 2.210 508 H CYS 79 H CYS 79 34.298 1.409 -0.686 509 HA CYS 79 HA CYS 79 31.624 1.163 0.431 510 HB2 CYS 79 2HB CYS 79 31.969 2.994 2.085 511 HB3 CYS 79 3HB CYS 79 32.786 1.486 2.474 512 H ALA 80 H ALA 80 30.217 2.773 -0.339 513 HA ALA 80 HA ALA 80 31.376 4.986 -1.999 514 HB1 ALA 80 HB1 ALA 80 30.566 3.114 -3.404 515 HB2 ALA 80 HB2 ALA 80 28.962 3.253 -2.659 516 HB3 ALA 80 HB3 ALA 80 29.613 4.593 -3.636 517 H GLU 81 H GLU 81 30.484 7.016 -1.715 518 HA GLU 81 HA GLU 81 28.694 7.228 0.636 519 HB2 GLU 81 HB2 GLU 81 29.443 9.531 0.824 520 HB3 GLU 81 HB3 GLU 81 30.722 8.361 1.017 521 HG2 GLU 81 HG2 GLU 81 31.737 8.919 -1.057 522 HG3 GLU 81 HG3 GLU 81 30.288 9.691 -1.664 523 H HIS 82 H HIS 82 28.746 8.541 -2.713 524 HA HIS 82 HA HIS 82 27.128 10.696 -2.054 525 HB2 HIS 82 2HB HIS 82 27.221 9.369 -4.788 526 HB3 HIS 82 3HB HIS 82 26.769 11.036 -4.446 527 HD1 HIS 82 1HD HIS 82 29.151 12.004 -2.664 528 HD2 HIS 82 2HD HIS 82 29.477 9.535 -6.052 529 HE1 HIS 82 1HE HIS 82 31.599 12.134 -3.414 530 H MET 83 H MET 83 25.975 7.512 -3.065 531 HA MET 83 HA MET 83 23.184 8.458 -3.301 532 HB2 MET 83 HB2 MET 83 24.122 6.764 -4.861 533 HB3 MET 83 HB3 MET 83 24.333 5.644 -3.508 534 HG2 MET 83 HG2 MET 83 22.310 5.121 -4.737 535 HG3 MET 83 HG3 MET 83 21.912 5.637 -3.102 536 HE1 MET 83 HE1 MET 83 18.800 6.799 -5.034 537 HE2 MET 83 HE2 MET 83 19.752 5.330 -5.342 538 HE3 MET 83 HE3 MET 83 19.455 5.871 -3.671 539 H ARG 84 H ARG 84 25.185 6.593 -0.989 540 HA ARG 84 HA ARG 84 22.924 5.983 0.768 541 HB2 ARG 84 HB2 ARG 84 25.927 5.913 1.270 542 HB3 ARG 84 HB3 ARG 84 24.708 5.269 2.373 543 HG2 ARG 84 HG2 ARG 84 25.106 4.302 -0.498 544 HG3 ARG 84 HG3 ARG 84 25.825 3.541 0.910 545 HD2 ARG 84 HD2 ARG 84 23.744 2.822 1.760 546 HD3 ARG 84 HD3 ARG 84 22.811 3.886 0.694 547 HE ARG 84 HE ARG 84 24.208 2.266 -1.062 548 HH11 ARG 84 HH11 ARG 84 21.923 1.444 1.545 549 HH12 ARG 84 HH12 ARG 84 21.446 0.010 0.638 550 HH21 ARG 84 HH21 ARG 84 23.500 0.435 -1.972 551 HH22 ARG 84 HH22 ARG 84 22.212 -0.499 -1.177 552 H ARG 85 H ARG 85 25.251 8.636 0.664 553 HA ARG 85 HA ARG 85 24.199 10.037 2.991 554 HB2 ARG 85 HB2 ARG 85 25.792 10.951 0.549 555 HB3 ARG 85 HB3 ARG 85 25.318 12.041 1.844 556 HG2 ARG 85 HG2 ARG 85 26.564 10.658 3.505 557 HG3 ARG 85 HG3 ARG 85 27.052 9.565 2.209 558 HD2 ARG 85 HD2 ARG 85 28.900 10.966 2.502 559 HD3 ARG 85 HD3 ARG 85 28.103 11.589 1.050 560 HE ARG 85 HE ARG 85 27.164 13.002 3.373 561 HH11 ARG 85 HH11 ARG 85 30.092 12.835 1.373 562 HH12 ARG 85 HH12 ARG 85 30.666 14.346 2.039 563 HH21 ARG 85 HH21 ARG 85 28.078 14.845 4.186 564 HH22 ARG 85 HH22 ARG 85 29.754 15.196 3.807 565 H PHE 86 H PHE 86 22.908 9.692 -0.232 566 HA PHE 86 HA PHE 86 20.931 11.842 0.274 567 HB2 PHE 86 HB2 PHE 86 21.394 11.694 -1.999 568 HB3 PHE 86 HB3 PHE 86 21.552 9.954 -1.989 569 HD1 PHE 86 HD1 PHE 86 19.052 12.729 -1.900 570 HD2 PHE 86 HD2 PHE 86 19.715 8.500 -2.439 571 HE1 PHE 86 HE1 PHE 86 16.732 12.466 -2.742 572 HE2 PHE 86 HE2 PHE 86 17.390 8.246 -3.285 573 HZ PHE 86 HZ PHE 86 15.899 10.226 -3.436 574 H LEU 87 H LEU 87 20.970 8.265 0.107 575 HA LEU 87 HA LEU 87 18.252 7.888 0.663 576 HB2 LEU 87 HB2 LEU 87 19.964 6.336 -0.332 577 HB3 LEU 87 HB3 LEU 87 20.522 5.954 1.292 578 HG LEU 87 HG LEU 87 17.608 5.592 0.461 579 HD11 LEU 87 HD11 LEU 87 19.882 3.581 0.148 580 HD12 LEU 87 HD12 LEU 87 18.995 4.376 -1.174 581 HD13 LEU 87 HD13 LEU 87 18.154 3.251 -0.105 582 HD21 LEU 87 HD21 LEU 87 17.644 3.795 2.166 583 HD22 LEU 87 HD22 LEU 87 18.084 5.333 2.897 584 HD23 LEU 87 HD23 LEU 87 19.348 4.148 2.517 585 H GLN 88 H GLN 88 20.940 7.862 3.123 586 HA GLN 88 HA GLN 88 19.066 7.287 5.244 587 HB2 GLN 88 HB2 GLN 88 21.883 8.448 5.351 588 HB3 GLN 88 HB3 GLN 88 20.952 7.945 6.762 589 HG2 GLN 88 HG2 GLN 88 21.942 6.159 4.510 590 HG3 GLN 88 HG3 GLN 88 22.473 6.166 6.192 591 HE21 GLN 88 HE21 GLN 88 20.457 5.754 7.847 592 HE22 GLN 88 HE22 GLN 88 19.444 4.430 7.288 593 H CYS 89 H CYS 89 19.659 10.282 3.645 594 HA CYS 89 HA CYS 89 18.408 11.863 5.845 595 HB2 CYS 89 2HB CYS 89 19.448 12.673 3.113 596 HB3 CYS 89 3HB CYS 89 19.002 13.755 4.424 597 H ALA 90 H ALA 90 17.676 10.679 2.539 598 HA ALA 90 HA ALA 90 15.039 11.783 2.395 599 HB1 ALA 90 HB1 ALA 90 16.319 10.940 0.452 600 HB2 ALA 90 HB2 ALA 90 16.238 9.288 1.109 601 HB3 ALA 90 HB3 ALA 90 14.756 10.120 0.597 602 H GLU 91 H GLU 91 16.249 8.720 3.810 603 HA GLU 91 HA GLU 91 13.629 7.763 4.591 604 HB2 GLU 91 HB2 GLU 91 16.511 7.022 5.200 605 HB3 GLU 91 HB3 GLU 91 15.208 6.281 6.122 606 HG2 GLU 91 HG2 GLU 91 15.499 6.159 3.098 607 HG3 GLU 91 HG3 GLU 91 15.884 4.866 4.239 608 H GLN 92 H GLN 92 15.495 10.269 5.959 609 HA GLN 92 HA GLN 92 14.544 9.861 8.707 610 HB2 GLN 92 HB2 GLN 92 16.821 10.853 7.943 611 HB3 GLN 92 HB3 GLN 92 15.916 12.322 7.593 612 HG2 GLN 92 HG2 GLN 92 16.864 12.546 9.766 613 HG3 GLN 92 HG3 GLN 92 15.134 12.346 10.001 614 HE21 GLN 92 HE21 GLN 92 16.102 11.865 12.282 615 HE22 GLN 92 HE22 GLN 92 16.634 10.218 12.578 616 H VAL 93 H VAL 93 13.661 11.827 5.910 617 HA VAL 93 HA VAL 93 11.601 13.310 7.423 618 HB VAL 93 HB VAL 93 11.038 14.315 5.176 619 HG11 VAL 93 HG11 VAL 93 13.022 15.801 5.231 620 HG12 VAL 93 HG12 VAL 93 12.351 15.490 6.832 621 HG13 VAL 93 HG13 VAL 93 13.827 14.641 6.318 622 HG21 VAL 93 HG21 VAL 93 13.677 13.061 4.296 623 HG22 VAL 93 HG22 VAL 93 12.074 12.594 3.690 624 HG23 VAL 93 HG23 VAL 93 12.694 14.225 3.398
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