NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561692 | 2m6o | 19148 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 28 HT1 GLN 28 -8.809 5.369 -7.448 2 H2 GLN 28 HT2 GLN 28 -8.355 5.970 -5.931 3 H3 GLN 28 HT3 GLN 28 -9.994 5.850 -6.341 4 HA GLN 28 HA GLN 28 -9.281 4.089 -4.824 5 HB2 GLN 28 HB2 GLN 28 -10.101 3.212 -7.602 6 HB3 GLN 28 HB1 GLN 28 -10.198 2.202 -6.167 7 HG2 GLN 28 HG2 GLN 28 -11.758 3.825 -5.166 8 HG3 GLN 28 HG1 GLN 28 -11.697 4.765 -6.656 9 HE21 GLN 28 HE21 GLN 28 -13.892 4.523 -7.011 10 HE22 GLN 28 HE22 GLN 28 -14.587 3.027 -7.534 11 H ALA 29 HN ALA 29 -6.893 4.453 -4.730 12 HA ALA 29 HA ALA 29 -5.589 2.074 -5.820 13 HB1 ALA 29 HB1 ALA 29 -3.584 3.318 -6.411 14 HB2 ALA 29 HB2 ALA 29 -4.345 4.826 -5.902 15 HB3 ALA 29 HB3 ALA 29 -4.971 3.949 -7.299 16 H VAL 30 HN VAL 30 -4.143 1.137 -4.402 17 HA VAL 30 HA VAL 30 -4.259 2.082 -1.670 18 HB VAL 30 HB VAL 30 -3.109 0.065 -1.048 19 HG11 VAL 30 HG11 VAL 30 -5.456 -0.216 -1.506 20 HG12 VAL 30 HG12 VAL 30 -4.581 -1.658 -2.021 21 HG13 VAL 30 HG13 VAL 30 -5.124 -0.481 -3.216 22 HG21 VAL 30 HG21 VAL 30 -2.642 -0.404 -3.984 23 HG22 VAL 30 HG22 VAL 30 -2.253 -1.530 -2.685 24 HG23 VAL 30 HG23 VAL 30 -1.419 0.020 -2.788 25 H GLU 31 HN GLU 31 -2.441 2.664 -0.399 26 HA GLU 31 HA GLU 31 -0.167 3.626 -2.005 27 HB2 GLU 31 HB2 GLU 31 -1.740 5.402 -1.244 28 HB3 GLU 31 HB1 GLU 31 -1.369 4.955 0.412 29 HG2 GLU 31 HG2 GLU 31 0.981 5.554 0.029 30 HG3 GLU 31 HG1 GLU 31 0.571 6.049 -1.613 31 H TYR 32 HN TYR 32 1.678 2.798 -1.445 32 HA TYR 32 HA TYR 32 2.030 1.746 1.287 33 HB2 TYR 32 HB2 TYR 32 3.227 0.842 -1.333 34 HB3 TYR 32 HB1 TYR 32 3.868 0.338 0.225 35 HD1 TYR 32 HD1 TYR 32 2.535 -1.115 1.700 36 HD2 TYR 32 HD2 TYR 32 1.205 -0.102 -2.211 37 HE1 TYR 32 HE1 TYR 32 0.935 -2.978 1.768 38 HE2 TYR 32 HE2 TYR 32 -0.403 -1.964 -2.155 39 HH TYR 32 HH TYR 32 -1.099 -3.692 0.746 40 H ALA 33 HN ALA 33 3.819 2.335 2.440 41 HA ALA 33 HA ALA 33 5.629 4.267 1.149 42 HB1 ALA 33 HB1 ALA 33 4.070 5.354 2.715 43 HB2 ALA 33 HB2 ALA 33 5.753 5.503 3.216 44 HB3 ALA 33 HB3 ALA 33 4.696 4.336 4.013 45 H CYS 34 HN CYS 34 7.655 3.552 1.063 46 HA CYS 34 HA CYS 34 8.426 1.243 2.637 47 HB2 CYS 34 HB2 CYS 34 10.455 1.272 1.256 48 HB3 CYS 34 HB1 CYS 34 9.007 1.344 0.258 49 H GLU 35 HN GLU 35 10.486 1.193 3.800 50 HA GLU 35 HA GLU 35 10.765 3.455 5.515 51 HB2 GLU 35 HB2 GLU 35 12.630 2.103 6.533 52 HB3 GLU 35 HB1 GLU 35 11.052 1.336 6.523 53 HG2 GLU 35 HG2 GLU 35 12.347 -0.408 5.870 54 HG3 GLU 35 HG1 GLU 35 11.937 0.271 4.298 55 H LYS 36 HN LYS 36 11.851 2.932 2.473 56 HA LYS 36 HA LYS 36 14.363 4.300 2.601 57 HB2 LYS 36 HB2 LYS 36 12.442 3.793 0.337 58 HB3 LYS 36 HB1 LYS 36 13.986 4.595 0.126 59 HG2 LYS 36 HG2 LYS 36 13.696 1.817 1.231 60 HG3 LYS 36 HG1 LYS 36 13.937 2.174 -0.479 61 HD2 LYS 36 HD2 LYS 36 15.999 3.480 0.254 62 HD3 LYS 36 HD1 LYS 36 15.805 2.683 1.817 63 HE2 LYS 36 HE2 LYS 36 15.953 0.508 0.733 64 HE3 LYS 36 HE1 LYS 36 16.099 1.291 -0.836 65 HZ1 LYS 36 HZ1 LYS 36 18.038 1.514 1.401 66 HZ2 LYS 36 HZ2 LYS 36 18.175 2.296 -0.089 67 HZ3 LYS 36 HZ3 LYS 36 18.251 0.610 -0.011 68 H GLY 37 HN GLY 37 11.047 5.137 2.643 69 HA2 GLY 37 HA2 GLY 37 10.383 7.289 3.467 70 HA3 GLY 37 HA1 GLY 37 11.777 7.985 2.652 71 H HIS 38 HN HIS 38 10.374 5.709 0.647 72 HA HIS 38 HA HIS 38 9.079 7.876 -0.854 73 HB2 HIS 38 HB2 HIS 38 11.014 6.458 -1.814 74 HB3 HIS 38 HB1 HIS 38 9.814 5.179 -1.968 75 HD2 HIS 38 HD2 HIS 38 8.195 5.337 -4.137 76 HE1 HIS 38 HE1 HIS 38 9.519 9.131 -5.458 77 HE2 HIS 38 HE2 HIS 38 8.269 7.028 -6.103 78 H ARG 39 HN ARG 39 6.995 7.693 -1.603 79 HA ARG 39 HA ARG 39 5.474 5.353 -0.649 80 HB2 ARG 39 HB2 ARG 39 4.469 8.142 -1.205 81 HB3 ARG 39 HB1 ARG 39 3.479 6.788 -0.702 82 HG2 ARG 39 HG2 ARG 39 4.755 6.674 1.403 83 HG3 ARG 39 HG1 ARG 39 5.654 8.106 0.901 84 HD2 ARG 39 HD2 ARG 39 3.674 9.434 0.895 85 HD3 ARG 39 HD1 ARG 39 2.657 8.016 1.133 86 HE ARG 39 HE ARG 39 4.595 8.776 3.204 87 HH11 ARG 39 HH11 ARG 39 1.284 8.323 2.141 88 HH12 ARG 39 HH12 ARG 39 0.616 8.501 3.736 89 HH21 ARG 39 HH21 ARG 39 3.720 8.988 5.308 90 HH22 ARG 39 HH22 ARG 39 2.000 8.897 5.533 91 H PHE 40 HN PHE 40 4.058 4.370 -2.058 92 HA PHE 40 HA PHE 40 3.882 5.351 -4.790 93 HB2 PHE 40 HB2 PHE 40 4.526 3.145 -5.737 94 HB3 PHE 40 HB1 PHE 40 5.855 3.962 -4.926 95 HD1 PHE 40 HD2 PHE 40 6.486 3.194 -2.590 96 HD2 PHE 40 HD1 PHE 40 3.874 0.994 -5.133 97 HE1 PHE 40 HE2 PHE 40 6.902 1.167 -1.261 98 HE2 PHE 40 HE1 PHE 40 4.289 -1.036 -3.808 99 HZ PHE 40 HZ PHE 40 5.804 -0.951 -1.871 100 H GLU 41 HN GLU 41 2.209 4.364 -6.021 101 HA GLU 41 HA GLU 41 0.156 3.139 -4.316 102 HB2 GLU 41 HB2 GLU 41 -1.485 4.078 -5.931 103 HB3 GLU 41 HB1 GLU 41 -0.550 5.310 -5.095 104 HG2 GLU 41 HG2 GLU 41 0.887 5.547 -7.056 105 HG3 GLU 41 HG1 GLU 41 -0.060 4.319 -7.895 106 H MET 42 HN MET 42 -0.957 1.360 -5.046 107 HA MET 42 HA MET 42 -0.182 0.232 -7.638 108 HB2 MET 42 HB2 MET 42 -0.045 -1.225 -4.987 109 HB3 MET 42 HB1 MET 42 -0.005 -2.036 -6.549 110 HG2 MET 42 HG2 MET 42 2.009 -0.587 -7.084 111 HG3 MET 42 HG1 MET 42 2.029 -0.167 -5.373 112 HE1 MET 42 HE1 MET 42 2.281 -2.019 -3.425 113 HE2 MET 42 HE2 MET 42 2.543 -3.734 -3.749 114 HE3 MET 42 HE3 MET 42 0.996 -2.986 -4.144 115 HA PRO 43 HA PRO 43 -4.501 -0.631 -7.767 116 HB2 PRO 43 HB2 PRO 43 -4.614 -2.474 -9.723 117 HB3 PRO 43 HB1 PRO 43 -4.184 -0.791 -10.045 118 HG2 PRO 43 HG2 PRO 43 -2.417 -3.187 -9.806 119 HG3 PRO 43 HG1 PRO 43 -2.310 -1.821 -10.931 120 HD2 PRO 43 HD2 PRO 43 -0.794 -2.085 -8.640 121 HD3 PRO 43 HD1 PRO 43 -1.143 -0.544 -9.444 122 H PHE 44 HN PHE 44 -5.601 -1.671 -6.266 123 HA PHE 44 HA PHE 44 -5.304 -4.593 -6.054 124 HB2 PHE 44 HB2 PHE 44 -5.293 -2.558 -3.876 125 HB3 PHE 44 HB1 PHE 44 -6.181 -4.050 -3.577 126 HD1 PHE 44 HD1 PHE 44 -2.863 -2.600 -4.216 127 HD2 PHE 44 HD2 PHE 44 -5.052 -6.120 -3.259 128 HE1 PHE 44 HE1 PHE 44 -0.769 -3.735 -3.610 129 HE2 PHE 44 HE2 PHE 44 -2.959 -7.259 -2.647 130 HZ PHE 44 HZ PHE 44 -0.813 -6.066 -2.822 131 H SER 45 HN SER 45 -7.375 -5.322 -4.637 132 HA SER 45 HA SER 45 -9.689 -4.348 -6.064 133 HB2 SER 45 HB2 SER 45 -9.340 -6.776 -5.490 134 HB3 SER 45 HB1 SER 45 -9.550 -6.326 -3.800 135 HG SER 45 HG SER 45 -11.474 -5.911 -5.849 136 H VAL 46 HN VAL 46 -11.301 -3.107 -5.220 137 HA VAL 46 HA VAL 46 -10.538 -1.492 -2.962 138 HB VAL 46 HB VAL 46 -11.590 -0.706 -5.160 139 HG11 VAL 46 HG11 VAL 46 -14.083 -1.605 -3.740 140 HG12 VAL 46 HG12 VAL 46 -13.467 -2.183 -5.287 141 HG13 VAL 46 HG13 VAL 46 -14.053 -0.529 -5.136 142 HG21 VAL 46 HG21 VAL 46 -11.175 0.796 -3.316 143 HG22 VAL 46 HG22 VAL 46 -12.672 0.291 -2.534 144 HG23 VAL 46 HG23 VAL 46 -12.728 1.174 -4.058 145 H GLU 47 HN GLU 47 -12.154 -4.349 -3.321 146 HA GLU 47 HA GLU 47 -13.712 -3.948 -0.855 147 HB2 GLU 47 HB2 GLU 47 -14.033 -5.982 -3.062 148 HB3 GLU 47 HB1 GLU 47 -14.956 -5.992 -1.566 149 HG2 GLU 47 HG2 GLU 47 -15.955 -3.874 -2.117 150 HG3 GLU 47 HG1 GLU 47 -14.946 -3.738 -3.556 151 H ALA 48 HN ALA 48 -10.778 -4.728 -1.474 152 HA ALA 48 HA ALA 48 -10.695 -7.350 -0.167 153 HB1 ALA 48 HB1 ALA 48 -8.278 -7.304 -0.817 154 HB2 ALA 48 HB2 ALA 48 -8.588 -5.784 -1.661 155 HB3 ALA 48 HB3 ALA 48 -9.401 -7.264 -2.173 156 H GLU 49 HN GLU 49 -9.168 -7.699 1.554 157 HA GLU 49 HA GLU 49 -8.910 -5.425 3.336 158 HB2 GLU 49 HB2 GLU 49 -9.598 -7.752 4.096 159 HB3 GLU 49 HB1 GLU 49 -7.940 -8.249 3.792 160 HG2 GLU 49 HG2 GLU 49 -8.164 -7.792 6.114 161 HG3 GLU 49 HG1 GLU 49 -7.188 -6.512 5.394 162 H ILE 50 HN ILE 50 -7.388 -4.122 2.435 163 HA ILE 50 HA ILE 50 -5.166 -4.943 0.971 164 HB ILE 50 HB ILE 50 -5.305 -2.362 2.524 165 HG12 ILE 50 HG12 ILE 50 -7.431 -2.612 1.368 166 HG13 ILE 50 HG11 ILE 50 -6.454 -1.406 0.540 167 HG21 ILE 50 HG21 ILE 50 -3.964 -1.469 0.723 168 HG22 ILE 50 HG22 ILE 50 -4.062 -3.001 -0.148 169 HG23 ILE 50 HG23 ILE 50 -3.182 -2.911 1.377 170 HD11 ILE 50 HD11 ILE 50 -5.844 -3.082 -1.142 171 HD12 ILE 50 HD12 ILE 50 -7.587 -2.825 -1.053 172 HD13 ILE 50 HD13 ILE 50 -6.868 -4.260 -0.321 173 HA PRO 51 HA PRO 51 -2.539 -6.702 4.138 174 HB2 PRO 51 HB2 PRO 51 -0.503 -6.052 2.061 175 HB3 PRO 51 HB1 PRO 51 -0.784 -7.568 2.924 176 HG2 PRO 51 HG2 PRO 51 -1.554 -7.287 0.396 177 HG3 PRO 51 HG1 PRO 51 -2.557 -8.172 1.558 178 HD2 PRO 51 HD2 PRO 51 -2.921 -5.436 0.432 179 HD3 PRO 51 HD1 PRO 51 -4.138 -6.649 0.875 180 HA PRO 52 HA PRO 52 -1.259 -2.846 5.983 181 HB2 PRO 52 HB2 PRO 52 0.167 -4.547 7.918 182 HB3 PRO 52 HB1 PRO 52 -1.131 -3.381 8.189 183 HG2 PRO 52 HG2 PRO 52 -1.558 -6.020 8.371 184 HG3 PRO 52 HG1 PRO 52 -2.788 -4.919 7.723 185 HD2 PRO 52 HD2 PRO 52 -0.912 -6.741 6.258 186 HD3 PRO 52 HD1 PRO 52 -2.629 -6.406 5.954 187 H GLU 53 HN GLU 53 0.923 -5.336 4.958 188 HA GLU 53 HA GLU 53 2.899 -3.272 4.424 189 HB2 GLU 53 HB2 GLU 53 4.768 -4.617 5.254 190 HB3 GLU 53 HB1 GLU 53 3.655 -4.209 6.549 191 HG2 GLU 53 HG2 GLU 53 3.584 -6.850 5.121 192 HG3 GLU 53 HG1 GLU 53 4.591 -6.553 6.537 193 H TRP 54 HN TRP 54 4.265 -3.722 2.709 194 HA TRP 54 HA TRP 54 3.891 -6.206 1.229 195 HB2 TRP 54 HB2 TRP 54 2.191 -4.416 0.491 196 HB3 TRP 54 HB1 TRP 54 3.577 -3.548 -0.155 197 HD1 TRP 54 HD1 TRP 54 4.696 -4.507 -2.381 198 HE1 TRP 54 HE1 TRP 54 3.874 -6.203 -4.141 199 HE3 TRP 54 HE3 TRP 54 0.834 -6.589 0.243 200 HZ2 TRP 54 HZ2 TRP 54 1.854 -8.150 -4.379 201 HZ3 TRP 54 HZ3 TRP 54 -0.492 -8.362 -0.829 202 HH2 TRP 54 HH2 TRP 54 0.007 -9.123 -3.091 203 H GLU 55 HN GLU 55 5.590 -6.446 -0.438 204 HA GLU 55 HA GLU 55 8.102 -5.413 0.375 205 HB2 GLU 55 HB2 GLU 55 7.919 -7.576 -0.735 206 HB3 GLU 55 HB1 GLU 55 7.286 -6.810 -2.182 207 HG2 GLU 55 HG2 GLU 55 9.412 -5.646 -2.495 208 HG3 GLU 55 HG1 GLU 55 10.046 -6.423 -1.045 209 H CYS 56 HN CYS 56 9.379 -3.816 -0.510 210 HA CYS 56 HA CYS 56 7.987 -1.680 -1.838 211 HB2 CYS 56 HB2 CYS 56 9.526 -0.959 -0.208 212 HB3 CYS 56 HB1 CYS 56 10.784 -2.038 -0.792 213 H LYS 57 HN LYS 57 7.582 -1.849 -3.926 214 HA LYS 57 HA LYS 57 9.261 -3.272 -5.756 215 HB2 LYS 57 HB2 LYS 57 6.737 -1.706 -5.945 216 HB3 LYS 57 HB1 LYS 57 7.670 -1.919 -7.415 217 HG2 LYS 57 HG2 LYS 57 5.960 -3.602 -7.283 218 HG3 LYS 57 HG1 LYS 57 7.541 -4.358 -7.121 219 HD2 LYS 57 HD2 LYS 57 6.079 -3.584 -4.647 220 HD3 LYS 57 HD1 LYS 57 5.529 -5.002 -5.539 221 HE2 LYS 57 HE2 LYS 57 8.347 -4.556 -4.544 222 HE3 LYS 57 HE1 LYS 57 7.135 -5.548 -3.739 223 HZ1 LYS 57 HZ1 LYS 57 8.303 -6.021 -6.428 224 HZ2 LYS 57 HZ2 LYS 57 7.037 -6.924 -5.765 225 HZ3 LYS 57 HZ3 LYS 57 8.564 -6.945 -5.029 226 H VAL 58 HN VAL 58 9.444 -0.194 -4.410 227 HA VAL 58 HA VAL 58 10.262 1.201 -6.795 228 HB VAL 58 HB VAL 58 10.294 2.098 -3.911 229 HG11 VAL 58 HG11 VAL 58 11.906 3.349 -5.254 230 HG12 VAL 58 HG12 VAL 58 10.533 4.363 -4.812 231 HG13 VAL 58 HG13 VAL 58 10.653 3.703 -6.443 232 HG21 VAL 58 HG21 VAL 58 8.350 2.678 -6.141 233 HG22 VAL 58 HG22 VAL 58 8.287 3.349 -4.511 234 HG23 VAL 58 HG23 VAL 58 8.055 1.619 -4.763 235 H CYS 59 HN CYS 59 11.919 0.463 -3.692 236 HA CYS 59 HA CYS 59 14.429 0.732 -5.207 237 HB2 CYS 59 HB2 CYS 59 14.007 2.745 -3.869 238 HB3 CYS 59 HB1 CYS 59 13.915 1.766 -2.409 239 H GLY 60 HN GLY 60 12.883 -0.719 -2.356 240 HA2 GLY 60 HA2 GLY 60 13.555 -3.191 -2.281 241 HA3 GLY 60 HA1 GLY 60 15.187 -2.551 -2.176 242 H ALA 61 HN ALA 61 12.222 -3.120 -0.524 243 HA ALA 61 HA ALA 61 13.325 -3.148 2.048 244 HB1 ALA 61 HB1 ALA 61 12.427 -1.124 3.022 245 HB2 ALA 61 HB2 ALA 61 11.739 -0.641 1.473 246 HB3 ALA 61 HB3 ALA 61 13.489 -0.692 1.682 247 H GLN 62 HN GLN 62 11.388 -2.913 3.725 248 HA GLN 62 HA GLN 62 9.004 -4.117 2.528 249 HB2 GLN 62 HB2 GLN 62 9.902 -5.238 4.530 250 HB3 GLN 62 HB1 GLN 62 9.728 -3.746 5.447 251 HG2 GLN 62 HG2 GLN 62 7.332 -3.823 5.204 252 HG3 GLN 62 HG1 GLN 62 7.449 -5.241 4.162 253 HE21 GLN 62 HE21 GLN 62 7.656 -4.035 7.407 254 HE22 GLN 62 HE22 GLN 62 7.652 -5.574 8.194 255 H ALA 63 HN ALA 63 7.287 -2.915 2.124 256 HA ALA 63 HA ALA 63 7.320 -0.145 3.080 257 HB1 ALA 63 HB1 ALA 63 7.351 -0.498 0.639 258 HB2 ALA 63 HB2 ALA 63 5.922 0.384 1.179 259 HB3 ALA 63 HB3 ALA 63 5.797 -1.326 0.761 260 H LEU 64 HN LEU 64 5.828 0.568 4.430 261 HA LEU 64 HA LEU 64 3.766 -1.249 5.333 262 HB2 LEU 64 HB2 LEU 64 4.545 1.525 6.233 263 HB3 LEU 64 HB1 LEU 64 3.251 0.591 6.955 264 HG LEU 64 HG LEU 64 6.175 -0.158 6.942 265 HD11 LEU 64 HD11 LEU 64 6.016 0.209 9.362 266 HD12 LEU 64 HD12 LEU 64 4.357 0.773 9.158 267 HD13 LEU 64 HD13 LEU 64 5.690 1.681 8.447 268 HD21 LEU 64 HD21 LEU 64 4.827 -2.154 6.840 269 HD22 LEU 64 HD22 LEU 64 3.780 -1.554 8.124 270 HD23 LEU 64 HD23 LEU 64 5.457 -1.966 8.476 271 H LEU 65 HN LEU 65 1.660 -1.077 4.975 272 HA LEU 65 HA LEU 65 0.777 0.587 2.802 273 HB2 LEU 65 HB2 LEU 65 0.084 -1.783 3.128 274 HB3 LEU 65 HB1 LEU 65 -0.748 -1.307 4.592 275 HG LEU 65 HG LEU 65 -2.150 -1.688 2.497 276 HD11 LEU 65 HD11 LEU 65 -3.701 0.087 3.059 277 HD12 LEU 65 HD12 LEU 65 -2.433 0.924 3.954 278 HD13 LEU 65 HD13 LEU 65 -3.018 -0.642 4.512 279 HD21 LEU 65 HD21 LEU 65 -1.041 1.022 1.814 280 HD22 LEU 65 HD22 LEU 65 -2.388 0.224 1.002 281 HD23 LEU 65 HD23 LEU 65 -0.769 -0.473 0.921 282 H VAL 66 HN VAL 66 -0.330 2.458 2.957 283 HA VAL 66 HA VAL 66 -0.999 3.368 5.676 284 HB VAL 66 HB VAL 66 -0.644 5.626 5.004 285 HG11 VAL 66 HG11 VAL 66 1.693 5.646 4.353 286 HG12 VAL 66 HG12 VAL 66 1.570 3.985 3.774 287 HG13 VAL 66 HG13 VAL 66 1.391 4.333 5.492 288 HG21 VAL 66 HG21 VAL 66 -0.284 4.628 2.183 289 HG22 VAL 66 HG22 VAL 66 -0.071 6.293 2.724 290 HG23 VAL 66 HG23 VAL 66 -1.663 5.540 2.796 291 H ASP 67 HN ASP 67 -2.986 4.275 6.082 292 HA ASP 67 HA ASP 67 -5.177 4.815 5.861 293 HB2 ASP 67 HB2 ASP 67 -4.443 5.097 2.946 294 HB3 ASP 67 HB1 ASP 67 -5.997 5.561 3.621 295 H GLY 68 HN GLY 68 -4.340 2.038 5.733 296 HA2 GLY 68 HA2 GLY 68 -6.032 0.740 3.781 297 HA3 GLY 68 HA1 GLY 68 -5.028 -0.050 4.985 298 H ASP 69 HN ASP 69 -7.836 2.119 4.951 299 HA ASP 69 HA ASP 69 -8.984 0.973 7.301 300 HB2 ASP 69 HB2 ASP 69 -9.434 3.287 6.659 301 HB3 ASP 69 HB1 ASP 69 -10.181 2.749 5.162 302 H GLY 70 HN GLY 70 -9.078 0.264 3.949 303 HA2 GLY 70 HA2 GLY 70 -10.032 -2.242 3.946 304 HA3 GLY 70 HA1 GLY 70 -11.514 -1.294 4.037 305 HA PRO 71 HA PRO 71 -11.308 -0.527 -0.367 306 HB2 PRO 71 HB2 PRO 71 -11.912 2.277 0.160 307 HB3 PRO 71 HB1 PRO 71 -12.818 1.107 -0.784 308 HG2 PRO 71 HG2 PRO 71 -13.691 1.969 1.607 309 HG3 PRO 71 HG1 PRO 71 -13.964 0.311 1.047 310 HD2 PRO 71 HD2 PRO 71 -11.979 1.344 3.024 311 HD3 PRO 71 HD1 PRO 71 -12.898 -0.174 3.033 312 H GLU 72 HN GLU 72 -9.868 0.294 -1.849 313 HA GLU 72 HA GLU 72 -7.271 0.589 -1.090 314 HB2 GLU 72 HB2 GLU 72 -8.564 1.733 -3.566 315 HB3 GLU 72 HB1 GLU 72 -6.839 1.484 -3.352 316 HG2 GLU 72 HG2 GLU 72 -7.169 -0.902 -3.226 317 HG3 GLU 72 HG1 GLU 72 -8.913 -0.686 -3.332 318 H GLU 73 HN GLU 73 -9.292 3.297 -2.191 319 HA GLU 73 HA GLU 73 -7.315 5.104 -0.983 320 HB2 GLU 73 HB2 GLU 73 -7.880 5.162 -3.494 321 HB3 GLU 73 HB1 GLU 73 -9.404 5.881 -3.004 322 HG2 GLU 73 HG2 GLU 73 -8.167 7.702 -1.913 323 HG3 GLU 73 HG1 GLU 73 -6.658 6.989 -2.482 324 H LYS 74 HN LYS 74 -9.318 3.767 0.545 325 HA LYS 74 HA LYS 74 -11.573 5.338 1.090 326 HB2 LYS 74 HB2 LYS 74 -11.300 3.068 1.970 327 HB3 LYS 74 HB1 LYS 74 -9.953 3.599 2.964 328 HG2 LYS 74 HG2 LYS 74 -11.938 3.365 4.311 329 HG3 LYS 74 HG1 LYS 74 -11.473 5.063 4.218 330 HD2 LYS 74 HD2 LYS 74 -13.181 5.450 2.523 331 HD3 LYS 74 HD1 LYS 74 -13.623 3.743 2.564 332 HE2 LYS 74 HE2 LYS 74 -13.808 5.645 4.896 333 HE3 LYS 74 HE1 LYS 74 -15.160 5.157 3.876 334 HZ1 LYS 74 HZ1 LYS 74 -14.880 2.895 4.600 335 HZ2 LYS 74 HZ2 LYS 74 -15.032 3.890 5.953 336 HZ3 LYS 74 HZ3 LYS 74 -13.509 3.294 5.511 337 H LYS 75 HN LYS 75 -8.444 5.230 2.757 338 HA LYS 75 HA LYS 75 -7.407 6.693 4.170 339 HB2 LYS 75 HB2 LYS 75 -8.463 8.567 2.051 340 HB3 LYS 75 HB1 LYS 75 -7.281 9.033 3.266 341 HG2 LYS 75 HG2 LYS 75 -5.709 7.404 2.415 342 HG3 LYS 75 HG1 LYS 75 -6.901 6.828 1.250 343 HD2 LYS 75 HD2 LYS 75 -6.856 8.911 0.075 344 HD3 LYS 75 HD1 LYS 75 -5.867 9.658 1.331 345 HE2 LYS 75 HE2 LYS 75 -4.951 7.286 -0.284 346 HE3 LYS 75 HE1 LYS 75 -4.654 8.952 -0.778 347 HZ1 LYS 75 HZ1 LYS 75 -3.434 9.319 1.256 348 HZ2 LYS 75 HZ2 LYS 75 -2.769 8.003 0.423 349 HZ3 LYS 75 HZ3 LYS 75 -3.749 7.742 1.789 Start of MODEL 2 1 H1 GLN 28 HT1 GLN 28 -10.117 6.096 -6.129 2 H2 GLN 28 HT2 GLN 28 -8.935 5.661 -7.257 3 H3 GLN 28 HT3 GLN 28 -8.478 6.226 -5.728 4 HA GLN 28 HA GLN 28 -9.383 4.301 -4.668 5 HB2 GLN 28 HB2 GLN 28 -10.195 3.513 -7.470 6 HB3 GLN 28 HB1 GLN 28 -10.227 2.425 -6.089 7 HG2 GLN 28 HG2 GLN 28 -11.834 3.905 -4.976 8 HG3 GLN 28 HG1 GLN 28 -11.823 4.956 -6.392 9 HE21 GLN 28 HE21 GLN 28 -14.008 3.444 -5.156 10 HE22 GLN 28 HE22 GLN 28 -14.643 2.432 -6.407 11 H ALA 29 HN ALA 29 -7.029 4.627 -4.482 12 HA ALA 29 HA ALA 29 -5.696 2.309 -5.660 13 HB1 ALA 29 HB1 ALA 29 -5.006 4.185 -7.055 14 HB2 ALA 29 HB2 ALA 29 -3.654 3.610 -6.080 15 HB3 ALA 29 HB3 ALA 29 -4.509 5.083 -5.623 16 H VAL 30 HN VAL 30 -4.271 1.310 -4.241 17 HA VAL 30 HA VAL 30 -4.303 2.318 -1.513 18 HB VAL 30 HB VAL 30 -3.455 0.242 -0.796 19 HG11 VAL 30 HG11 VAL 30 -4.880 -1.454 -1.892 20 HG12 VAL 30 HG12 VAL 30 -5.245 -0.284 -3.159 21 HG13 VAL 30 HG13 VAL 30 -5.740 0.032 -1.496 22 HG21 VAL 30 HG21 VAL 30 -1.582 0.077 -2.355 23 HG22 VAL 30 HG22 VAL 30 -2.695 -0.412 -3.634 24 HG23 VAL 30 HG23 VAL 30 -2.464 -1.444 -2.222 25 H GLU 31 HN GLU 31 -2.443 2.910 -0.362 26 HA GLU 31 HA GLU 31 -0.120 3.495 -2.071 27 HB2 GLU 31 HB2 GLU 31 -1.462 5.500 -1.449 28 HB3 GLU 31 HB1 GLU 31 -1.122 5.156 0.240 29 HG2 GLU 31 HG2 GLU 31 1.262 5.458 -0.171 30 HG3 GLU 31 HG1 GLU 31 0.929 5.791 -1.871 31 H TYR 32 HN TYR 32 1.734 2.728 -1.435 32 HA TYR 32 HA TYR 32 2.004 1.746 1.333 33 HB2 TYR 32 HB2 TYR 32 3.149 0.703 -1.254 34 HB3 TYR 32 HB1 TYR 32 3.848 0.277 0.302 35 HD1 TYR 32 HD1 TYR 32 2.432 -1.006 1.963 36 HD2 TYR 32 HD2 TYR 32 1.208 -0.353 -2.058 37 HE1 TYR 32 HE1 TYR 32 0.798 -2.832 2.171 38 HE2 TYR 32 HE2 TYR 32 -0.432 -2.171 -1.857 39 HH TYR 32 HH TYR 32 -0.895 -4.095 -0.578 40 H ALA 33 HN ALA 33 3.758 2.391 2.509 41 HA ALA 33 HA ALA 33 5.621 4.243 1.171 42 HB1 ALA 33 HB1 ALA 33 4.166 5.385 2.755 43 HB2 ALA 33 HB2 ALA 33 5.843 5.414 3.299 44 HB3 ALA 33 HB3 ALA 33 4.696 4.295 4.039 45 H CYS 34 HN CYS 34 7.671 3.529 1.067 46 HA CYS 34 HA CYS 34 8.327 1.052 2.376 47 HB2 CYS 34 HB2 CYS 34 10.313 1.050 1.035 48 HB3 CYS 34 HB1 CYS 34 8.960 1.549 0.027 49 H GLU 35 HN GLU 35 10.588 0.796 3.284 50 HA GLU 35 HA GLU 35 10.919 2.375 5.590 51 HB2 GLU 35 HB2 GLU 35 12.909 0.548 4.232 52 HB3 GLU 35 HB1 GLU 35 13.024 1.140 5.882 53 HG2 GLU 35 HG2 GLU 35 11.049 -0.082 6.508 54 HG3 GLU 35 HG1 GLU 35 10.794 -0.587 4.838 55 H LYS 36 HN LYS 36 11.978 2.797 2.358 56 HA LYS 36 HA LYS 36 14.189 4.549 3.027 57 HB2 LYS 36 HB2 LYS 36 13.135 3.257 0.597 58 HB3 LYS 36 HB1 LYS 36 13.860 4.837 0.345 59 HG2 LYS 36 HG2 LYS 36 15.449 3.001 0.013 60 HG3 LYS 36 HG1 LYS 36 15.936 4.079 1.319 61 HD2 LYS 36 HD2 LYS 36 15.024 2.473 2.953 62 HD3 LYS 36 HD1 LYS 36 14.605 1.386 1.626 63 HE2 LYS 36 HE2 LYS 36 16.917 1.133 1.028 64 HE3 LYS 36 HE1 LYS 36 17.399 2.366 2.191 65 HZ1 LYS 36 HZ1 LYS 36 16.238 -0.295 2.827 66 HZ2 LYS 36 HZ2 LYS 36 16.588 0.902 3.969 67 HZ3 LYS 36 HZ3 LYS 36 17.837 0.195 3.078 68 H GLY 37 HN GLY 37 10.944 4.891 3.031 69 HA2 GLY 37 HA2 GLY 37 9.730 6.821 3.415 70 HA3 GLY 37 HA1 GLY 37 11.169 7.760 3.053 71 H HIS 38 HN HIS 38 9.942 5.343 0.848 72 HA HIS 38 HA HIS 38 9.026 7.525 -0.909 73 HB2 HIS 38 HB2 HIS 38 10.996 5.933 -1.582 74 HB3 HIS 38 HB1 HIS 38 9.710 4.766 -1.890 75 HD2 HIS 38 HD2 HIS 38 7.941 5.462 -3.990 76 HE1 HIS 38 HE1 HIS 38 10.586 8.352 -5.590 77 HE2 HIS 38 HE2 HIS 38 8.635 6.814 -6.090 78 H ARG 39 HN ARG 39 6.907 7.589 -1.361 79 HA ARG 39 HA ARG 39 5.273 5.271 -0.614 80 HB2 ARG 39 HB2 ARG 39 4.371 8.058 -1.335 81 HB3 ARG 39 HB1 ARG 39 3.356 6.762 -0.736 82 HG2 ARG 39 HG2 ARG 39 4.672 6.779 1.371 83 HG3 ARG 39 HG1 ARG 39 5.521 8.205 0.770 84 HD2 ARG 39 HD2 ARG 39 3.461 9.447 0.665 85 HD3 ARG 39 HD1 ARG 39 2.530 8.013 1.086 86 HE ARG 39 HE ARG 39 4.496 9.117 2.974 87 HH11 ARG 39 HH11 ARG 39 1.196 8.244 2.163 88 HH12 ARG 39 HH12 ARG 39 0.607 8.484 3.782 89 HH21 ARG 39 HH21 ARG 39 3.718 9.422 5.108 90 HH22 ARG 39 HH22 ARG 39 2.036 9.158 5.449 91 H PHE 40 HN PHE 40 3.988 4.253 -2.064 92 HA PHE 40 HA PHE 40 3.914 5.191 -4.820 93 HB2 PHE 40 HB2 PHE 40 4.482 2.888 -5.655 94 HB3 PHE 40 HB1 PHE 40 5.825 3.767 -4.939 95 HD1 PHE 40 HD2 PHE 40 6.399 3.206 -2.485 96 HD2 PHE 40 HD1 PHE 40 3.985 0.734 -4.972 97 HE1 PHE 40 HE2 PHE 40 6.870 1.282 -1.029 98 HE2 PHE 40 HE1 PHE 40 4.458 -1.192 -3.520 99 HZ PHE 40 HZ PHE 40 5.901 -0.919 -1.547 100 H GLU 41 HN GLU 41 2.254 4.220 -6.086 101 HA GLU 41 HA GLU 41 0.030 3.327 -4.398 102 HB2 GLU 41 HB2 GLU 41 0.061 4.496 -7.185 103 HB3 GLU 41 HB1 GLU 41 -1.389 3.978 -6.336 104 HG2 GLU 41 HG2 GLU 41 -1.101 5.667 -4.674 105 HG3 GLU 41 HG1 GLU 41 0.479 6.105 -5.326 106 H MET 42 HN MET 42 -0.991 1.452 -4.732 107 HA MET 42 HA MET 42 0.116 -0.326 -6.803 108 HB2 MET 42 HB2 MET 42 -0.457 -0.929 -3.898 109 HB3 MET 42 HB1 MET 42 -0.101 -2.160 -5.100 110 HG2 MET 42 HG2 MET 42 1.786 0.112 -4.632 111 HG3 MET 42 HG1 MET 42 1.796 -1.311 -3.590 112 HE1 MET 42 HE1 MET 42 2.825 -4.180 -5.839 113 HE2 MET 42 HE2 MET 42 1.138 -3.709 -5.638 114 HE3 MET 42 HE3 MET 42 2.244 -3.621 -4.265 115 HA PRO 43 HA PRO 43 -4.153 -1.045 -7.645 116 HB2 PRO 43 HB2 PRO 43 -3.965 -3.158 -9.282 117 HB3 PRO 43 HB1 PRO 43 -3.378 -1.560 -9.756 118 HG2 PRO 43 HG2 PRO 43 -1.850 -3.945 -8.819 119 HG3 PRO 43 HG1 PRO 43 -1.426 -2.755 -10.061 120 HD2 PRO 43 HD2 PRO 43 -0.471 -2.759 -7.452 121 HD3 PRO 43 HD1 PRO 43 -0.470 -1.357 -8.540 122 H PHE 44 HN PHE 44 -5.558 -1.813 -6.239 123 HA PHE 44 HA PHE 44 -5.632 -4.684 -5.724 124 HB2 PHE 44 HB2 PHE 44 -5.461 -2.555 -3.614 125 HB3 PHE 44 HB1 PHE 44 -6.401 -4.013 -3.300 126 HD1 PHE 44 HD2 PHE 44 -5.289 -6.186 -3.112 127 HD2 PHE 44 HD1 PHE 44 -3.070 -2.609 -3.741 128 HE1 PHE 44 HE2 PHE 44 -3.227 -7.352 -2.449 129 HE2 PHE 44 HE1 PHE 44 -1.004 -3.771 -3.082 130 HZ PHE 44 HZ PHE 44 -1.106 -6.188 -2.433 131 H SER 45 HN SER 45 -7.802 -5.007 -4.336 132 HA SER 45 HA SER 45 -9.896 -3.683 -5.865 133 HB2 SER 45 HB2 SER 45 -9.908 -6.165 -5.555 134 HB3 SER 45 HB1 SER 45 -10.106 -5.885 -3.827 135 HG SER 45 HG SER 45 -11.904 -5.286 -5.924 136 H VAL 46 HN VAL 46 -11.479 -2.445 -4.937 137 HA VAL 46 HA VAL 46 -10.733 -1.085 -2.520 138 HB VAL 46 HB VAL 46 -11.738 -0.077 -4.643 139 HG11 VAL 46 HG11 VAL 46 -14.184 0.099 -4.705 140 HG12 VAL 46 HG12 VAL 46 -14.285 -1.051 -3.373 141 HG13 VAL 46 HG13 VAL 46 -13.618 -1.558 -4.925 142 HG21 VAL 46 HG21 VAL 46 -12.821 0.664 -1.934 143 HG22 VAL 46 HG22 VAL 46 -12.949 1.678 -3.370 144 HG23 VAL 46 HG23 VAL 46 -11.363 1.282 -2.711 145 H GLU 47 HN GLU 47 -12.295 -3.914 -3.065 146 HA GLU 47 HA GLU 47 -13.708 -3.718 -0.494 147 HB2 GLU 47 HB2 GLU 47 -14.587 -5.302 -2.914 148 HB3 GLU 47 HB1 GLU 47 -15.360 -5.352 -1.334 149 HG2 GLU 47 HG2 GLU 47 -15.843 -2.943 -1.539 150 HG3 GLU 47 HG1 GLU 47 -15.161 -2.972 -3.162 151 H ALA 48 HN ALA 48 -10.982 -4.656 -1.393 152 HA ALA 48 HA ALA 48 -11.135 -7.439 -0.427 153 HB1 ALA 48 HB1 ALA 48 -8.994 -6.057 -2.057 154 HB2 ALA 48 HB2 ALA 48 -10.105 -7.319 -2.605 155 HB3 ALA 48 HB3 ALA 48 -8.865 -7.694 -1.411 156 H GLU 49 HN GLU 49 -9.106 -8.077 0.849 157 HA GLU 49 HA GLU 49 -8.658 -6.182 2.956 158 HB2 GLU 49 HB2 GLU 49 -8.672 -8.584 3.454 159 HB3 GLU 49 HB1 GLU 49 -7.299 -8.826 2.381 160 HG2 GLU 49 HG2 GLU 49 -5.997 -7.271 3.851 161 HG3 GLU 49 HG1 GLU 49 -7.353 -7.312 4.976 162 H ILE 50 HN ILE 50 -7.304 -4.541 2.792 163 HA ILE 50 HA ILE 50 -5.159 -4.619 0.827 164 HB ILE 50 HB ILE 50 -5.793 -2.338 2.709 165 HG12 ILE 50 HG12 ILE 50 -7.829 -2.839 1.469 166 HG13 ILE 50 HG11 ILE 50 -7.102 -1.367 0.838 167 HG21 ILE 50 HG21 ILE 50 -4.645 -0.986 1.069 168 HG22 ILE 50 HG22 ILE 50 -4.450 -2.382 0.010 169 HG23 ILE 50 HG23 ILE 50 -3.607 -2.326 1.555 170 HD11 ILE 50 HD11 ILE 50 -6.177 -2.649 -1.035 171 HD12 ILE 50 HD12 ILE 50 -7.935 -2.746 -0.958 172 HD13 ILE 50 HD13 ILE 50 -6.952 -4.102 -0.407 173 HA PRO 51 HA PRO 51 -2.639 -6.525 4.031 174 HB2 PRO 51 HB2 PRO 51 -0.558 -5.833 2.010 175 HB3 PRO 51 HB1 PRO 51 -0.853 -7.364 2.843 176 HG2 PRO 51 HG2 PRO 51 -1.574 -7.059 0.309 177 HG3 PRO 51 HG1 PRO 51 -2.618 -7.935 1.445 178 HD2 PRO 51 HD2 PRO 51 -2.897 -5.170 0.352 179 HD3 PRO 51 HD1 PRO 51 -4.150 -6.375 0.713 180 HA PRO 52 HA PRO 52 -1.432 -2.729 6.103 181 HB2 PRO 52 HB2 PRO 52 -0.019 -4.725 7.803 182 HB3 PRO 52 HB1 PRO 52 -1.106 -3.412 8.272 183 HG2 PRO 52 HG2 PRO 52 -1.951 -5.928 8.295 184 HG3 PRO 52 HG1 PRO 52 -3.012 -4.624 7.731 185 HD2 PRO 52 HD2 PRO 52 -1.492 -6.652 6.151 186 HD3 PRO 52 HD1 PRO 52 -3.112 -5.984 5.870 187 H GLU 53 HN GLU 53 0.722 -5.155 4.850 188 HA GLU 53 HA GLU 53 2.715 -3.087 4.432 189 HB2 GLU 53 HB2 GLU 53 4.544 -4.654 5.200 190 HB3 GLU 53 HB1 GLU 53 3.555 -3.955 6.474 191 HG2 GLU 53 HG2 GLU 53 2.268 -6.021 6.608 192 HG3 GLU 53 HG1 GLU 53 3.267 -6.727 5.339 193 H TRP 54 HN TRP 54 4.225 -3.595 2.790 194 HA TRP 54 HA TRP 54 3.774 -5.983 1.206 195 HB2 TRP 54 HB2 TRP 54 2.151 -4.098 0.485 196 HB3 TRP 54 HB1 TRP 54 3.589 -3.311 -0.155 197 HD1 TRP 54 HD1 TRP 54 4.476 -4.131 -2.470 198 HE1 TRP 54 HE1 TRP 54 3.687 -5.903 -4.165 199 HE3 TRP 54 HE3 TRP 54 0.977 -6.502 0.402 200 HZ2 TRP 54 HZ2 TRP 54 1.824 -8.013 -4.268 201 HZ3 TRP 54 HZ3 TRP 54 -0.265 -8.389 -0.574 202 HH2 TRP 54 HH2 TRP 54 0.151 -9.124 -2.861 203 H GLU 55 HN GLU 55 5.477 -6.158 -0.522 204 HA GLU 55 HA GLU 55 7.986 -5.185 0.469 205 HB2 GLU 55 HB2 GLU 55 7.659 -7.432 -0.595 206 HB3 GLU 55 HB1 GLU 55 7.446 -6.613 -2.137 207 HG2 GLU 55 HG2 GLU 55 9.686 -5.730 -2.022 208 HG3 GLU 55 HG1 GLU 55 9.911 -6.440 -0.422 209 H CYS 56 HN CYS 56 9.393 -3.732 -0.512 210 HA CYS 56 HA CYS 56 8.042 -1.624 -1.964 211 HB2 CYS 56 HB2 CYS 56 9.391 -0.783 -0.234 212 HB3 CYS 56 HB1 CYS 56 10.724 -1.862 -0.624 213 H LYS 57 HN LYS 57 7.750 -2.276 -4.003 214 HA LYS 57 HA LYS 57 9.842 -3.391 -5.599 215 HB2 LYS 57 HB2 LYS 57 7.131 -2.284 -6.302 216 HB3 LYS 57 HB1 LYS 57 8.207 -3.060 -7.459 217 HG2 LYS 57 HG2 LYS 57 7.032 -4.350 -5.001 218 HG3 LYS 57 HG1 LYS 57 6.480 -4.590 -6.658 219 HD2 LYS 57 HD2 LYS 57 7.840 -6.395 -6.530 220 HD3 LYS 57 HD1 LYS 57 9.071 -5.211 -6.961 221 HE2 LYS 57 HE2 LYS 57 9.509 -4.899 -4.507 222 HE3 LYS 57 HE1 LYS 57 8.404 -6.236 -4.203 223 HZ1 LYS 57 HZ1 LYS 57 10.615 -7.088 -4.221 224 HZ2 LYS 57 HZ2 LYS 57 10.960 -6.345 -5.705 225 HZ3 LYS 57 HZ3 LYS 57 9.854 -7.622 -5.640 226 H VAL 58 HN VAL 58 9.890 -0.504 -4.336 227 HA VAL 58 HA VAL 58 10.411 1.000 -6.797 228 HB VAL 58 HB VAL 58 10.359 2.048 -3.964 229 HG11 VAL 58 HG11 VAL 58 10.133 4.237 -5.047 230 HG12 VAL 58 HG12 VAL 58 10.287 3.464 -6.625 231 HG13 VAL 58 HG13 VAL 58 11.638 3.432 -5.492 232 HG21 VAL 58 HG21 VAL 58 8.181 2.088 -6.048 233 HG22 VAL 58 HG22 VAL 58 8.138 2.934 -4.499 234 HG23 VAL 58 HG23 VAL 58 8.173 1.170 -4.542 235 H CYS 59 HN CYS 59 11.939 0.586 -3.583 236 HA CYS 59 HA CYS 59 14.492 1.257 -4.886 237 HB2 CYS 59 HB2 CYS 59 13.750 2.839 -3.153 238 HB3 CYS 59 HB1 CYS 59 13.692 1.534 -1.976 239 H GLY 60 HN GLY 60 13.058 -0.878 -2.425 240 HA2 GLY 60 HA2 GLY 60 13.803 -3.281 -2.893 241 HA3 GLY 60 HA1 GLY 60 15.423 -2.622 -2.704 242 H ALA 61 HN ALA 61 12.343 -2.408 -0.939 243 HA ALA 61 HA ALA 61 13.637 -3.358 1.485 244 HB1 ALA 61 HB1 ALA 61 12.972 -1.391 2.790 245 HB2 ALA 61 HB2 ALA 61 12.390 -0.612 1.319 246 HB3 ALA 61 HB3 ALA 61 14.109 -0.957 1.513 247 H GLN 62 HN GLN 62 11.696 -2.807 3.326 248 HA GLN 62 HA GLN 62 9.276 -3.979 2.148 249 HB2 GLN 62 HB2 GLN 62 10.239 -5.064 4.166 250 HB3 GLN 62 HB1 GLN 62 9.967 -3.576 5.064 251 HG2 GLN 62 HG2 GLN 62 7.576 -3.778 4.731 252 HG3 GLN 62 HG1 GLN 62 7.812 -5.229 3.756 253 HE21 GLN 62 HE21 GLN 62 7.856 -3.868 6.937 254 HE22 GLN 62 HE22 GLN 62 7.896 -5.364 7.803 255 H ALA 63 HN ALA 63 7.232 -2.991 2.448 256 HA ALA 63 HA ALA 63 7.372 -0.152 3.207 257 HB1 ALA 63 HB1 ALA 63 5.780 -1.326 0.935 258 HB2 ALA 63 HB2 ALA 63 7.272 -0.401 0.768 259 HB3 ALA 63 HB3 ALA 63 5.821 0.371 1.409 260 H LEU 64 HN LEU 64 5.589 0.736 4.207 261 HA LEU 64 HA LEU 64 3.691 -1.231 5.280 262 HB2 LEU 64 HB2 LEU 64 4.450 1.512 6.285 263 HB3 LEU 64 HB1 LEU 64 3.220 0.494 7.008 264 HG LEU 64 HG LEU 64 6.178 -0.100 6.867 265 HD11 LEU 64 HD11 LEU 64 5.570 1.601 8.510 266 HD12 LEU 64 HD12 LEU 64 6.082 0.107 9.293 267 HD13 LEU 64 HD13 LEU 64 4.368 0.510 9.199 268 HD21 LEU 64 HD21 LEU 64 5.634 -2.067 8.249 269 HD22 LEU 64 HD22 LEU 64 4.925 -2.162 6.637 270 HD23 LEU 64 HD23 LEU 64 3.916 -1.732 8.020 271 H LEU 65 HN LEU 65 1.575 -1.032 4.968 272 HA LEU 65 HA LEU 65 0.635 0.628 2.842 273 HB2 LEU 65 HB2 LEU 65 -0.151 -1.686 3.328 274 HB3 LEU 65 HB1 LEU 65 -0.882 -1.094 4.804 275 HG LEU 65 HG LEU 65 -2.416 -1.501 2.822 276 HD11 LEU 65 HD11 LEU 65 -2.435 1.182 4.175 277 HD12 LEU 65 HD12 LEU 65 -3.189 -0.303 4.753 278 HD13 LEU 65 HD13 LEU 65 -3.790 0.482 3.294 279 HD21 LEU 65 HD21 LEU 65 -2.604 0.275 1.184 280 HD22 LEU 65 HD22 LEU 65 -1.011 -0.476 1.115 281 HD23 LEU 65 HD23 LEU 65 -1.214 1.093 1.894 282 H VAL 66 HN VAL 66 -0.361 2.565 2.962 283 HA VAL 66 HA VAL 66 -0.944 3.572 5.661 284 HB VAL 66 HB VAL 66 -0.583 5.851 4.808 285 HG11 VAL 66 HG11 VAL 66 1.283 4.629 5.825 286 HG12 VAL 66 HG12 VAL 66 1.841 5.741 4.575 287 HG13 VAL 66 HG13 VAL 66 1.745 4.014 4.235 288 HG21 VAL 66 HG21 VAL 66 0.270 4.505 2.246 289 HG22 VAL 66 HG22 VAL 66 0.442 6.221 2.619 290 HG23 VAL 66 HG23 VAL 66 -1.164 5.507 2.463 291 H ASP 67 HN ASP 67 -3.010 3.408 6.062 292 HA ASP 67 HA ASP 67 -5.233 3.818 6.046 293 HB2 ASP 67 HB2 ASP 67 -4.583 5.745 3.812 294 HB3 ASP 67 HB1 ASP 67 -6.111 5.671 4.682 295 H GLY 68 HN GLY 68 -5.655 1.666 5.377 296 HA2 GLY 68 HA2 GLY 68 -7.038 1.560 2.809 297 HA3 GLY 68 HA1 GLY 68 -5.700 0.443 3.010 298 H ASP 69 HN ASP 69 -5.877 -1.265 4.432 299 HA ASP 69 HA ASP 69 -6.868 -2.954 5.561 300 HB2 ASP 69 HB2 ASP 69 -7.584 -1.332 7.222 301 HB3 ASP 69 HB1 ASP 69 -8.983 -0.906 6.241 302 H GLY 70 HN GLY 70 -9.533 -1.119 4.062 303 HA2 GLY 70 HA2 GLY 70 -10.218 -3.577 2.580 304 HA3 GLY 70 HA1 GLY 70 -11.466 -2.618 3.368 305 HA PRO 71 HA PRO 71 -11.600 -0.028 -0.246 306 HB2 PRO 71 HB2 PRO 71 -12.029 2.431 0.772 307 HB3 PRO 71 HB1 PRO 71 -13.272 1.177 0.780 308 HG2 PRO 71 HG2 PRO 71 -11.468 2.074 2.991 309 HG3 PRO 71 HG1 PRO 71 -13.192 1.661 3.048 310 HD2 PRO 71 HD2 PRO 71 -11.214 -0.044 3.830 311 HD3 PRO 71 HD1 PRO 71 -12.775 -0.589 3.185 312 H GLU 72 HN GLU 72 -10.012 0.609 -1.499 313 HA GLU 72 HA GLU 72 -7.393 1.069 -0.713 314 HB2 GLU 72 HB2 GLU 72 -8.697 2.118 -3.229 315 HB3 GLU 72 HB1 GLU 72 -6.983 1.828 -2.985 316 HG2 GLU 72 HG2 GLU 72 -7.383 -0.557 -2.860 317 HG3 GLU 72 HG1 GLU 72 -9.117 -0.287 -3.028 318 H GLU 73 HN GLU 73 -9.867 3.400 -1.646 319 HA GLU 73 HA GLU 73 -8.288 5.534 -0.406 320 HB2 GLU 73 HB2 GLU 73 -7.887 5.440 -2.884 321 HB3 GLU 73 HB1 GLU 73 -9.603 5.730 -3.121 322 HG2 GLU 73 HG2 GLU 73 -9.291 7.863 -1.810 323 HG3 GLU 73 HG1 GLU 73 -7.556 7.583 -1.956 324 H LYS 74 HN LYS 74 -9.896 5.217 1.270 325 HA LYS 74 HA LYS 74 -12.269 6.813 0.766 326 HB2 LYS 74 HB2 LYS 74 -12.979 4.499 0.258 327 HB3 LYS 74 HB1 LYS 74 -12.476 4.009 1.872 328 HG2 LYS 74 HG2 LYS 74 -14.129 5.626 2.799 329 HG3 LYS 74 HG1 LYS 74 -14.701 5.901 1.154 330 HD2 LYS 74 HD2 LYS 74 -15.294 3.557 0.943 331 HD3 LYS 74 HD1 LYS 74 -14.655 3.229 2.554 332 HE2 LYS 74 HE2 LYS 74 -16.977 5.037 1.892 333 HE3 LYS 74 HE1 LYS 74 -17.088 3.422 2.590 334 HZ1 LYS 74 HZ1 LYS 74 -17.291 5.190 4.255 335 HZ2 LYS 74 HZ2 LYS 74 -15.739 5.734 3.877 336 HZ3 LYS 74 HZ3 LYS 74 -15.950 4.202 4.553 337 H LYS 75 HN LYS 75 -10.206 5.044 2.998 338 HA LYS 75 HA LYS 75 -11.447 6.291 5.302 339 HB2 LYS 75 HB2 LYS 75 -10.541 3.921 5.272 340 HB3 LYS 75 HB1 LYS 75 -8.931 4.627 5.255 341 HG2 LYS 75 HG2 LYS 75 -9.713 5.896 7.359 342 HG3 LYS 75 HG1 LYS 75 -10.989 4.683 7.422 343 HD2 LYS 75 HD2 LYS 75 -9.138 3.989 8.813 344 HD3 LYS 75 HD1 LYS 75 -9.263 2.917 7.415 345 HE2 LYS 75 HE2 LYS 75 -6.930 3.647 8.009 346 HE3 LYS 75 HE1 LYS 75 -7.417 3.959 6.344 347 HZ1 LYS 75 HZ1 LYS 75 -6.243 5.840 7.391 348 HZ2 LYS 75 HZ2 LYS 75 -7.497 5.975 8.522 349 HZ3 LYS 75 HZ3 LYS 75 -7.809 6.250 6.877 Start of MODEL 3 1 H1 GLN 28 HT1 GLN 28 -8.996 5.592 -7.445 2 H2 GLN 28 HT2 GLN 28 -8.589 6.192 -5.911 3 H3 GLN 28 HT3 GLN 28 -10.213 6.002 -6.346 4 HA GLN 28 HA GLN 28 -9.474 4.245 -4.853 5 HB2 GLN 28 HB2 GLN 28 -10.085 3.332 -7.670 6 HB3 GLN 28 HB1 GLN 28 -10.269 2.356 -6.222 7 HG2 GLN 28 HG2 GLN 28 -12.018 3.760 -5.412 8 HG3 GLN 28 HG1 GLN 28 -11.745 4.929 -6.702 9 HE21 GLN 28 HE21 GLN 28 -12.427 4.456 -8.783 10 HE22 GLN 28 HE22 GLN 28 -13.571 3.200 -9.113 11 H ALA 29 HN ALA 29 -7.094 4.699 -4.646 12 HA ALA 29 HA ALA 29 -5.664 2.388 -5.727 13 HB1 ALA 29 HB1 ALA 29 -4.522 5.180 -5.746 14 HB2 ALA 29 HB2 ALA 29 -5.064 4.287 -7.167 15 HB3 ALA 29 HB3 ALA 29 -3.685 3.707 -6.235 16 H VAL 30 HN VAL 30 -4.358 1.414 -4.236 17 HA VAL 30 HA VAL 30 -4.478 2.390 -1.523 18 HB VAL 30 HB VAL 30 -3.350 0.365 -0.871 19 HG11 VAL 30 HG11 VAL 30 -4.852 -1.338 -1.778 20 HG12 VAL 30 HG12 VAL 30 -5.329 -0.232 -3.063 21 HG13 VAL 30 HG13 VAL 30 -5.721 0.147 -1.386 22 HG21 VAL 30 HG21 VAL 30 -2.475 -1.243 -2.467 23 HG22 VAL 30 HG22 VAL 30 -1.660 0.313 -2.633 24 HG23 VAL 30 HG23 VAL 30 -2.892 -0.166 -3.800 25 H GLU 31 HN GLU 31 -2.598 2.779 -0.199 26 HA GLU 31 HA GLU 31 -0.347 3.882 -1.751 27 HB2 GLU 31 HB2 GLU 31 -1.664 5.636 -0.705 28 HB3 GLU 31 HB1 GLU 31 -1.567 4.820 0.847 29 HG2 GLU 31 HG2 GLU 31 -0.031 6.575 0.982 30 HG3 GLU 31 HG1 GLU 31 0.946 5.138 0.687 31 H TYR 32 HN TYR 32 1.662 3.257 -1.211 32 HA TYR 32 HA TYR 32 2.045 1.896 1.373 33 HB2 TYR 32 HB2 TYR 32 3.031 0.996 -1.329 34 HB3 TYR 32 HB1 TYR 32 3.819 0.494 0.158 35 HD1 TYR 32 HD1 TYR 32 2.656 -0.954 1.754 36 HD2 TYR 32 HD2 TYR 32 0.904 0.073 -1.983 37 HE1 TYR 32 HE1 TYR 32 1.058 -2.803 2.004 38 HE2 TYR 32 HE2 TYR 32 -0.698 -1.778 -1.746 39 HH TYR 32 HH TYR 32 -1.066 -3.517 1.213 40 H ALA 33 HN ALA 33 3.811 2.496 2.491 41 HA ALA 33 HA ALA 33 5.683 4.329 1.146 42 HB1 ALA 33 HB1 ALA 33 4.138 5.567 2.587 43 HB2 ALA 33 HB2 ALA 33 5.797 5.658 3.176 44 HB3 ALA 33 HB3 ALA 33 4.639 4.584 3.962 45 H CYS 34 HN CYS 34 7.705 3.642 1.202 46 HA CYS 34 HA CYS 34 8.393 1.398 2.907 47 HB2 CYS 34 HB2 CYS 34 10.447 1.300 1.597 48 HB3 CYS 34 HB1 CYS 34 9.055 1.410 0.526 49 H GLU 35 HN GLU 35 10.348 1.391 4.170 50 HA GLU 35 HA GLU 35 10.657 3.742 5.766 51 HB2 GLU 35 HB2 GLU 35 12.388 2.397 6.945 52 HB3 GLU 35 HB1 GLU 35 10.840 1.574 6.808 53 HG2 GLU 35 HG2 GLU 35 11.694 0.263 4.938 54 HG3 GLU 35 HG1 GLU 35 13.244 1.095 5.063 55 H LYS 36 HN LYS 36 11.685 3.179 2.778 56 HA LYS 36 HA LYS 36 14.363 4.278 3.057 57 HB2 LYS 36 HB2 LYS 36 12.868 3.599 0.535 58 HB3 LYS 36 HB1 LYS 36 14.593 3.883 0.691 59 HG2 LYS 36 HG2 LYS 36 13.092 1.589 1.940 60 HG3 LYS 36 HG1 LYS 36 14.034 1.500 0.453 61 HD2 LYS 36 HD2 LYS 36 15.217 2.388 3.073 62 HD3 LYS 36 HD1 LYS 36 15.178 0.698 2.572 63 HE2 LYS 36 HE2 LYS 36 16.480 1.202 0.611 64 HE3 LYS 36 HE1 LYS 36 16.432 2.927 0.975 65 HZ1 LYS 36 HZ1 LYS 36 17.688 2.487 3.000 66 HZ2 LYS 36 HZ2 LYS 36 18.536 1.959 1.639 67 HZ3 LYS 36 HZ3 LYS 36 17.747 0.836 2.630 68 H GLY 37 HN GLY 37 11.131 5.266 2.513 69 HA2 GLY 37 HA2 GLY 37 10.771 7.627 3.067 70 HA3 GLY 37 HA1 GLY 37 12.143 8.000 2.039 71 H HIS 38 HN HIS 38 10.546 5.638 0.404 72 HA HIS 38 HA HIS 38 9.198 7.684 -1.209 73 HB2 HIS 38 HB2 HIS 38 10.358 5.002 -1.861 74 HB3 HIS 38 HB1 HIS 38 9.138 5.712 -2.912 75 HD2 HIS 38 HD2 HIS 38 9.915 8.341 -3.901 76 HE1 HIS 38 HE1 HIS 38 14.009 7.312 -3.697 77 HE2 HIS 38 HE2 HIS 38 12.342 9.054 -4.465 78 H ARG 39 HN ARG 39 7.101 7.586 -1.784 79 HA ARG 39 HA ARG 39 5.475 5.391 -0.681 80 HB2 ARG 39 HB2 ARG 39 4.581 8.180 -1.432 81 HB3 ARG 39 HB1 ARG 39 3.570 6.924 -0.744 82 HG2 ARG 39 HG2 ARG 39 4.888 6.991 1.313 83 HG3 ARG 39 HG1 ARG 39 5.893 8.266 0.621 84 HD2 ARG 39 HD2 ARG 39 2.931 8.409 1.178 85 HD3 ARG 39 HD1 ARG 39 4.209 9.235 2.071 86 HE ARG 39 HE ARG 39 4.557 10.090 -0.480 87 HH11 ARG 39 HH11 ARG 39 1.826 10.080 1.711 88 HH12 ARG 39 HH12 ARG 39 1.092 11.477 0.991 89 HH21 ARG 39 HH21 ARG 39 3.588 11.911 -1.424 90 HH22 ARG 39 HH22 ARG 39 2.094 12.517 -0.784 91 H PHE 40 HN PHE 40 3.865 4.494 -2.062 92 HA PHE 40 HA PHE 40 3.776 5.324 -4.823 93 HB2 PHE 40 HB2 PHE 40 4.470 3.099 -5.699 94 HB3 PHE 40 HB1 PHE 40 5.775 3.981 -4.920 95 HD1 PHE 40 HD2 PHE 40 6.503 3.303 -2.621 96 HD2 PHE 40 HD1 PHE 40 3.808 0.972 -4.947 97 HE1 PHE 40 HE2 PHE 40 6.985 1.347 -1.210 98 HE2 PHE 40 HE1 PHE 40 4.286 -0.989 -3.541 99 HZ PHE 40 HZ PHE 40 5.877 -0.804 -1.671 100 H GLU 41 HN GLU 41 2.120 4.299 -6.028 101 HA GLU 41 HA GLU 41 0.051 3.134 -4.295 102 HB2 GLU 41 HB2 GLU 41 -1.575 4.034 -5.927 103 HB3 GLU 41 HB1 GLU 41 -0.587 5.294 -5.205 104 HG2 GLU 41 HG2 GLU 41 0.868 5.133 -7.275 105 HG3 GLU 41 HG1 GLU 41 -0.423 4.162 -7.978 106 H MET 42 HN MET 42 -0.962 1.258 -4.890 107 HA MET 42 HA MET 42 -0.005 -0.034 -7.352 108 HB2 MET 42 HB2 MET 42 -0.161 -1.332 -4.620 109 HB3 MET 42 HB1 MET 42 0.210 -2.173 -6.121 110 HG2 MET 42 HG2 MET 42 2.147 -0.507 -6.341 111 HG3 MET 42 HG1 MET 42 1.859 -0.167 -4.636 112 HE1 MET 42 HE1 MET 42 2.301 -3.843 -3.167 113 HE2 MET 42 HE2 MET 42 0.819 -3.265 -3.924 114 HE3 MET 42 HE3 MET 42 1.713 -2.214 -2.828 115 HA PRO 43 HA PRO 43 -4.234 -1.035 -7.899 116 HB2 PRO 43 HB2 PRO 43 -4.091 -3.104 -9.606 117 HB3 PRO 43 HB1 PRO 43 -3.621 -1.466 -10.076 118 HG2 PRO 43 HG2 PRO 43 -1.900 -3.781 -9.290 119 HG3 PRO 43 HG1 PRO 43 -1.653 -2.586 -10.576 120 HD2 PRO 43 HD2 PRO 43 -0.430 -2.488 -8.120 121 HD3 PRO 43 HD1 PRO 43 -0.716 -1.071 -9.146 122 H PHE 44 HN PHE 44 -5.523 -1.888 -6.464 123 HA PHE 44 HA PHE 44 -5.379 -4.755 -5.890 124 HB2 PHE 44 HB2 PHE 44 -5.409 -2.517 -3.898 125 HB3 PHE 44 HB1 PHE 44 -6.259 -4.011 -3.516 126 HD1 PHE 44 HD2 PHE 44 -5.034 -6.098 -3.247 127 HD2 PHE 44 HD1 PHE 44 -3.022 -2.413 -3.910 128 HE1 PHE 44 HE2 PHE 44 -2.932 -7.113 -2.470 129 HE2 PHE 44 HE1 PHE 44 -0.919 -3.418 -3.130 130 HZ PHE 44 HZ PHE 44 -0.869 -5.770 -2.410 131 H SER 45 HN SER 45 -7.539 -5.204 -4.499 132 HA SER 45 HA SER 45 -9.747 -4.169 -6.066 133 HB2 SER 45 HB2 SER 45 -9.659 -6.570 -5.414 134 HB3 SER 45 HB1 SER 45 -9.746 -6.065 -3.727 135 HG SER 45 HG SER 45 -11.789 -6.687 -4.790 136 H VAL 46 HN VAL 46 -11.370 -2.894 -5.267 137 HA VAL 46 HA VAL 46 -10.659 -1.185 -3.066 138 HB VAL 46 HB VAL 46 -11.711 -0.469 -5.259 139 HG11 VAL 46 HG11 VAL 46 -14.155 -0.507 -5.399 140 HG12 VAL 46 HG12 VAL 46 -14.212 -1.498 -3.941 141 HG13 VAL 46 HG13 VAL 46 -13.461 -2.129 -5.406 142 HG21 VAL 46 HG21 VAL 46 -12.966 0.454 -2.679 143 HG22 VAL 46 HG22 VAL 46 -13.056 1.321 -4.212 144 HG23 VAL 46 HG23 VAL 46 -11.495 1.081 -3.425 145 H GLU 47 HN GLU 47 -11.926 -4.144 -3.133 146 HA GLU 47 HA GLU 47 -13.582 -3.677 -0.743 147 HB2 GLU 47 HB2 GLU 47 -13.978 -5.746 -2.905 148 HB3 GLU 47 HB1 GLU 47 -14.910 -5.656 -1.418 149 HG2 GLU 47 HG2 GLU 47 -15.747 -3.458 -2.068 150 HG3 GLU 47 HG1 GLU 47 -14.807 -3.544 -3.558 151 H ALA 48 HN ALA 48 -10.681 -4.697 -1.588 152 HA ALA 48 HA ALA 48 -10.752 -7.272 -0.197 153 HB1 ALA 48 HB1 ALA 48 -9.640 -7.324 -2.323 154 HB2 ALA 48 HB2 ALA 48 -8.438 -7.538 -1.049 155 HB3 ALA 48 HB3 ALA 48 -8.595 -5.978 -1.862 156 H GLU 49 HN GLU 49 -9.494 -7.709 1.594 157 HA GLU 49 HA GLU 49 -8.862 -5.495 3.279 158 HB2 GLU 49 HB2 GLU 49 -7.947 -7.273 4.809 159 HB3 GLU 49 HB1 GLU 49 -9.632 -7.471 4.356 160 HG2 GLU 49 HG2 GLU 49 -9.068 -9.202 2.797 161 HG3 GLU 49 HG1 GLU 49 -7.346 -8.930 3.056 162 H ILE 50 HN ILE 50 -7.358 -4.274 2.262 163 HA ILE 50 HA ILE 50 -5.112 -5.161 0.878 164 HB ILE 50 HB ILE 50 -5.327 -2.533 2.351 165 HG12 ILE 50 HG12 ILE 50 -7.365 -2.827 1.070 166 HG13 ILE 50 HG11 ILE 50 -6.341 -1.644 0.264 167 HG21 ILE 50 HG21 ILE 50 -3.922 -1.675 0.545 168 HG22 ILE 50 HG22 ILE 50 -3.853 -3.289 -0.165 169 HG23 ILE 50 HG23 ILE 50 -3.129 -2.990 1.415 170 HD11 ILE 50 HD11 ILE 50 -5.621 -3.368 -1.320 171 HD12 ILE 50 HD12 ILE 50 -7.367 -3.119 -1.346 172 HD13 ILE 50 HD13 ILE 50 -6.689 -4.526 -0.526 173 HA PRO 51 HA PRO 51 -2.589 -6.783 4.173 174 HB2 PRO 51 HB2 PRO 51 -0.208 -6.585 2.744 175 HB3 PRO 51 HB1 PRO 51 -1.314 -7.960 2.715 176 HG2 PRO 51 HG2 PRO 51 -1.046 -5.702 0.788 177 HG3 PRO 51 HG1 PRO 51 -1.385 -7.414 0.475 178 HD2 PRO 51 HD2 PRO 51 -3.314 -5.569 0.371 179 HD3 PRO 51 HD1 PRO 51 -3.629 -7.195 1.014 180 HA PRO 52 HA PRO 52 -1.376 -2.950 6.089 181 HB2 PRO 52 HB2 PRO 52 0.095 -4.764 7.915 182 HB3 PRO 52 HB1 PRO 52 -1.115 -3.528 8.281 183 HG2 PRO 52 HG2 PRO 52 -1.737 -6.105 8.409 184 HG3 PRO 52 HG1 PRO 52 -2.890 -4.924 7.762 185 HD2 PRO 52 HD2 PRO 52 -1.131 -6.857 6.299 186 HD3 PRO 52 HD1 PRO 52 -2.819 -6.401 5.983 187 H GLU 53 HN GLU 53 0.863 -5.335 4.932 188 HA GLU 53 HA GLU 53 2.752 -3.184 4.435 189 HB2 GLU 53 HB2 GLU 53 4.676 -4.380 5.259 190 HB3 GLU 53 HB1 GLU 53 3.507 -4.234 6.559 191 HG2 GLU 53 HG2 GLU 53 3.863 -6.702 4.874 192 HG3 GLU 53 HG1 GLU 53 4.653 -6.433 6.425 193 H TRP 54 HN TRP 54 4.134 -3.581 2.665 194 HA TRP 54 HA TRP 54 3.829 -6.098 1.244 195 HB2 TRP 54 HB2 TRP 54 2.053 -4.455 0.420 196 HB3 TRP 54 HB1 TRP 54 3.384 -3.497 -0.219 197 HD1 TRP 54 HD1 TRP 54 4.680 -4.470 -2.365 198 HE1 TRP 54 HE1 TRP 54 4.020 -6.248 -4.110 199 HE3 TRP 54 HE3 TRP 54 0.810 -6.673 0.141 200 HZ2 TRP 54 HZ2 TRP 54 2.115 -8.303 -4.383 201 HZ3 TRP 54 HZ3 TRP 54 -0.381 -8.538 -0.936 202 HH2 TRP 54 HH2 TRP 54 0.257 -9.332 -3.149 203 H GLU 55 HN GLU 55 5.466 -6.319 -0.461 204 HA GLU 55 HA GLU 55 8.002 -5.326 0.309 205 HB2 GLU 55 HB2 GLU 55 7.631 -7.499 -0.808 206 HB3 GLU 55 HB1 GLU 55 7.154 -6.654 -2.271 207 HG2 GLU 55 HG2 GLU 55 9.389 -5.702 -2.457 208 HG3 GLU 55 HG1 GLU 55 9.870 -6.541 -0.981 209 H CYS 56 HN CYS 56 9.257 -3.713 -0.525 210 HA CYS 56 HA CYS 56 7.900 -1.585 -1.906 211 HB2 CYS 56 HB2 CYS 56 9.342 -0.840 -0.211 212 HB3 CYS 56 HB1 CYS 56 10.637 -1.919 -0.710 213 H LYS 57 HN LYS 57 7.606 -1.730 -4.011 214 HA LYS 57 HA LYS 57 9.417 -3.076 -5.779 215 HB2 LYS 57 HB2 LYS 57 6.849 -1.614 -6.050 216 HB3 LYS 57 HB1 LYS 57 7.863 -1.708 -7.478 217 HG2 LYS 57 HG2 LYS 57 6.295 -3.487 -7.574 218 HG3 LYS 57 HG1 LYS 57 7.875 -4.184 -7.229 219 HD2 LYS 57 HD2 LYS 57 6.059 -3.518 -4.959 220 HD3 LYS 57 HD1 LYS 57 5.732 -4.956 -5.923 221 HE2 LYS 57 HE2 LYS 57 8.300 -4.330 -4.468 222 HE3 LYS 57 HE1 LYS 57 7.079 -5.499 -3.971 223 HZ1 LYS 57 HZ1 LYS 57 8.771 -5.636 -6.406 224 HZ2 LYS 57 HZ2 LYS 57 7.508 -6.708 -6.062 225 HZ3 LYS 57 HZ3 LYS 57 8.861 -6.642 -5.045 226 H VAL 58 HN VAL 58 9.651 -0.136 -4.277 227 HA VAL 58 HA VAL 58 10.473 1.415 -6.576 228 HB VAL 58 HB VAL 58 10.528 2.133 -3.641 229 HG11 VAL 58 HG11 VAL 58 10.890 3.867 -6.083 230 HG12 VAL 58 HG12 VAL 58 12.143 3.435 -4.922 231 HG13 VAL 58 HG13 VAL 58 10.786 4.443 -4.420 232 HG21 VAL 58 HG21 VAL 58 8.534 3.449 -4.140 233 HG22 VAL 58 HG22 VAL 58 8.268 1.741 -4.493 234 HG23 VAL 58 HG23 VAL 58 8.567 2.879 -5.808 235 H CYS 59 HN CYS 59 12.085 0.479 -3.507 236 HA CYS 59 HA CYS 59 14.622 0.749 -4.983 237 HB2 CYS 59 HB2 CYS 59 14.325 2.551 -3.358 238 HB3 CYS 59 HB1 CYS 59 14.105 1.376 -2.067 239 H GLY 60 HN GLY 60 13.029 -0.980 -2.310 240 HA2 GLY 60 HA2 GLY 60 13.414 -3.490 -2.645 241 HA3 GLY 60 HA1 GLY 60 15.114 -3.053 -2.559 242 H ALA 61 HN ALA 61 12.085 -2.927 -0.761 243 HA ALA 61 HA ALA 61 13.314 -3.756 1.675 244 HB1 ALA 61 HB1 ALA 61 12.333 -0.897 1.541 245 HB2 ALA 61 HB2 ALA 61 14.023 -1.387 1.657 246 HB3 ALA 61 HB3 ALA 61 12.911 -1.734 2.981 247 H GLN 62 HN GLN 62 11.426 -3.018 3.508 248 HA GLN 62 HA GLN 62 8.945 -4.037 2.337 249 HB2 GLN 62 HB2 GLN 62 9.728 -5.198 4.341 250 HB3 GLN 62 HB1 GLN 62 9.732 -3.685 5.238 251 HG2 GLN 62 HG2 GLN 62 7.310 -3.516 4.966 252 HG3 GLN 62 HG1 GLN 62 7.305 -5.031 4.067 253 HE21 GLN 62 HE21 GLN 62 7.687 -3.544 7.183 254 HE22 GLN 62 HE22 GLN 62 7.524 -4.993 8.115 255 H ALA 63 HN ALA 63 7.161 -2.835 2.136 256 HA ALA 63 HA ALA 63 7.294 -0.052 3.079 257 HB1 ALA 63 HB1 ALA 63 5.785 0.506 1.242 258 HB2 ALA 63 HB2 ALA 63 5.746 -1.188 0.752 259 HB3 ALA 63 HB3 ALA 63 7.249 -0.272 0.640 260 H LEU 64 HN LEU 64 5.758 0.683 4.410 261 HA LEU 64 HA LEU 64 3.791 -1.215 5.374 262 HB2 LEU 64 HB2 LEU 64 4.456 1.591 6.264 263 HB3 LEU 64 HB1 LEU 64 3.269 0.559 7.036 264 HG LEU 64 HG LEU 64 6.239 0.036 6.876 265 HD11 LEU 64 HD11 LEU 64 5.654 1.818 8.427 266 HD12 LEU 64 HD12 LEU 64 6.187 0.377 9.292 267 HD13 LEU 64 HD13 LEU 64 4.469 0.767 9.202 268 HD21 LEU 64 HD21 LEU 64 4.989 -2.052 6.792 269 HD22 LEU 64 HD22 LEU 64 4.046 -1.559 8.199 270 HD23 LEU 64 HD23 LEU 64 5.775 -1.863 8.360 271 H LEU 65 HN LEU 65 1.660 -1.093 5.102 272 HA LEU 65 HA LEU 65 0.662 0.352 2.866 273 HB2 LEU 65 HB2 LEU 65 -0.103 -1.887 3.427 274 HB3 LEU 65 HB1 LEU 65 -0.685 -1.325 4.978 275 HG LEU 65 HG LEU 65 -2.395 -1.785 3.134 276 HD11 LEU 65 HD11 LEU 65 -3.846 0.012 3.884 277 HD12 LEU 65 HD12 LEU 65 -2.455 0.871 4.545 278 HD13 LEU 65 HD13 LEU 65 -2.942 -0.678 5.232 279 HD21 LEU 65 HD21 LEU 65 -2.864 0.085 1.639 280 HD22 LEU 65 HD22 LEU 65 -1.281 -0.626 1.327 281 HD23 LEU 65 HD23 LEU 65 -1.406 0.898 2.207 282 H VAL 66 HN VAL 66 -0.040 2.354 2.836 283 HA VAL 66 HA VAL 66 -0.859 3.629 5.356 284 HB VAL 66 HB VAL 66 -0.018 4.906 2.745 285 HG11 VAL 66 HG11 VAL 66 -0.036 7.012 3.993 286 HG12 VAL 66 HG12 VAL 66 -0.663 6.167 5.408 287 HG13 VAL 66 HG13 VAL 66 -1.638 6.277 3.942 288 HG21 VAL 66 HG21 VAL 66 1.435 4.699 5.380 289 HG22 VAL 66 HG22 VAL 66 1.986 5.606 3.973 290 HG23 VAL 66 HG23 VAL 66 1.852 3.849 3.893 291 H ASP 67 HN ASP 67 -2.952 3.532 5.636 292 HA ASP 67 HA ASP 67 -5.182 3.546 5.338 293 HB2 ASP 67 HB2 ASP 67 -4.856 5.855 4.666 294 HB3 ASP 67 HB1 ASP 67 -4.530 5.352 3.010 295 H GLY 68 HN GLY 68 -5.846 1.585 4.891 296 HA2 GLY 68 HA2 GLY 68 -6.913 0.914 2.409 297 HA3 GLY 68 HA1 GLY 68 -5.325 0.165 2.506 298 H ASP 69 HN ASP 69 -8.159 0.628 4.602 299 HA ASP 69 HA ASP 69 -7.729 -1.996 5.777 300 HB2 ASP 69 HB2 ASP 69 -9.517 -1.413 7.311 301 HB3 ASP 69 HB1 ASP 69 -8.389 -0.067 7.200 302 H GLY 70 HN GLY 70 -8.928 -1.054 2.990 303 HA2 GLY 70 HA2 GLY 70 -10.164 -3.311 2.159 304 HA3 GLY 70 HA1 GLY 70 -11.467 -2.412 2.932 305 HA PRO 71 HA PRO 71 -11.872 0.100 -0.714 306 HB2 PRO 71 HB2 PRO 71 -12.291 2.577 0.326 307 HB3 PRO 71 HB1 PRO 71 -13.528 1.318 0.286 308 HG2 PRO 71 HG2 PRO 71 -11.783 2.192 2.547 309 HG3 PRO 71 HG1 PRO 71 -13.491 1.719 2.566 310 HD2 PRO 71 HD2 PRO 71 -11.482 0.068 3.359 311 HD3 PRO 71 HD1 PRO 71 -12.996 -0.521 2.643 312 H GLU 72 HN GLU 72 -10.336 0.776 -2.047 313 HA GLU 72 HA GLU 72 -7.793 1.693 -1.174 314 HB2 GLU 72 HB2 GLU 72 -9.026 1.944 -3.923 315 HB3 GLU 72 HB1 GLU 72 -7.316 2.043 -3.532 316 HG2 GLU 72 HG2 GLU 72 -7.284 -0.289 -2.931 317 HG3 GLU 72 HG1 GLU 72 -9.020 -0.405 -3.189 318 H GLU 73 HN GLU 73 -7.032 3.706 -0.899 319 HA GLU 73 HA GLU 73 -6.917 5.966 -0.756 320 HB2 GLU 73 HB2 GLU 73 -7.028 5.650 -3.241 321 HB3 GLU 73 HB1 GLU 73 -8.757 5.939 -3.150 322 HG2 GLU 73 HG2 GLU 73 -8.409 8.185 -2.424 323 HG3 GLU 73 HG1 GLU 73 -6.676 7.910 -2.258 324 H LYS 74 HN LYS 74 -8.698 4.767 0.924 325 HA LYS 74 HA LYS 74 -11.239 6.092 0.921 326 HB2 LYS 74 HB2 LYS 74 -10.920 3.900 1.989 327 HB3 LYS 74 HB1 LYS 74 -9.772 4.608 3.115 328 HG2 LYS 74 HG2 LYS 74 -11.827 4.365 4.261 329 HG3 LYS 74 HG1 LYS 74 -11.614 6.085 3.933 330 HD2 LYS 74 HD2 LYS 74 -13.101 5.871 1.980 331 HD3 LYS 74 HD1 LYS 74 -13.347 4.169 2.374 332 HE2 LYS 74 HE2 LYS 74 -14.087 6.536 4.084 333 HE3 LYS 74 HE1 LYS 74 -15.199 5.498 3.196 334 HZ1 LYS 74 HZ1 LYS 74 -14.396 3.629 4.591 335 HZ2 LYS 74 HZ2 LYS 74 -15.192 4.834 5.467 336 HZ3 LYS 74 HZ3 LYS 74 -13.505 4.735 5.510 337 H LYS 75 HN LYS 75 -8.265 6.310 2.783 338 HA LYS 75 HA LYS 75 -7.430 7.855 4.223 339 HB2 LYS 75 HB2 LYS 75 -8.419 9.757 2.094 340 HB3 LYS 75 HB1 LYS 75 -7.123 10.059 3.243 341 HG2 LYS 75 HG2 LYS 75 -5.884 8.138 2.236 342 HG3 LYS 75 HG1 LYS 75 -7.139 8.051 1.001 343 HD2 LYS 75 HD2 LYS 75 -6.638 10.415 0.412 344 HD3 LYS 75 HD1 LYS 75 -5.295 10.373 1.556 345 HE2 LYS 75 HE2 LYS 75 -5.626 8.668 -0.908 346 HE3 LYS 75 HE1 LYS 75 -4.477 9.982 -0.687 347 HZ1 LYS 75 HZ1 LYS 75 -3.425 7.835 -0.403 348 HZ2 LYS 75 HZ2 LYS 75 -4.504 7.434 0.836 349 HZ3 LYS 75 HZ3 LYS 75 -3.399 8.696 1.053 Start of MODEL 4 1 H1 GLN 28 HT1 GLN 28 -8.500 4.075 -8.947 2 H2 GLN 28 HT2 GLN 28 -7.996 5.124 -7.728 3 H3 GLN 28 HT3 GLN 28 -9.646 4.846 -7.970 4 HA GLN 28 HA GLN 28 -8.897 3.644 -6.047 5 HB2 GLN 28 HB2 GLN 28 -9.430 1.856 -8.431 6 HB3 GLN 28 HB1 GLN 28 -9.571 1.365 -6.749 7 HG2 GLN 28 HG2 GLN 28 -11.344 3.031 -6.431 8 HG3 GLN 28 HG1 GLN 28 -11.214 3.473 -8.132 9 HE21 GLN 28 HE21 GLN 28 -13.486 2.405 -6.651 10 HE22 GLN 28 HE22 GLN 28 -13.943 0.945 -7.462 11 H ALA 29 HN ALA 29 -6.701 3.938 -5.557 12 HA ALA 29 HA ALA 29 -5.101 1.589 -6.220 13 HB1 ALA 29 HB1 ALA 29 -3.090 2.892 -6.593 14 HB2 ALA 29 HB2 ALA 29 -3.984 4.391 -6.339 15 HB3 ALA 29 HB3 ALA 29 -4.340 3.379 -7.739 16 H VAL 30 HN VAL 30 -3.815 0.886 -4.525 17 HA VAL 30 HA VAL 30 -4.335 2.155 -1.958 18 HB VAL 30 HB VAL 30 -3.289 0.222 -0.937 19 HG11 VAL 30 HG11 VAL 30 -5.157 -0.572 -3.164 20 HG12 VAL 30 HG12 VAL 30 -5.622 0.008 -1.564 21 HG13 VAL 30 HG13 VAL 30 -4.794 -1.541 -1.736 22 HG21 VAL 30 HG21 VAL 30 -2.653 -0.684 -3.736 23 HG22 VAL 30 HG22 VAL 30 -2.404 -1.622 -2.264 24 HG23 VAL 30 HG23 VAL 30 -1.489 -0.138 -2.531 25 H GLU 31 HN GLU 31 -2.595 2.661 -0.470 26 HA GLU 31 HA GLU 31 -0.273 3.735 -1.934 27 HB2 GLU 31 HB2 GLU 31 -1.660 4.807 0.530 28 HB3 GLU 31 HB1 GLU 31 -0.265 5.540 -0.253 29 HG2 GLU 31 HG2 GLU 31 -1.557 6.034 -2.214 30 HG3 GLU 31 HG1 GLU 31 -2.940 5.147 -1.573 31 H TYR 32 HN TYR 32 1.598 2.799 -1.403 32 HA TYR 32 HA TYR 32 1.928 1.805 1.355 33 HB2 TYR 32 HB2 TYR 32 3.154 0.875 -1.237 34 HB3 TYR 32 HB1 TYR 32 3.842 0.447 0.324 35 HD1 TYR 32 HD1 TYR 32 2.690 -1.110 1.807 36 HD2 TYR 32 HD2 TYR 32 1.043 -0.052 -1.967 37 HE1 TYR 32 HE1 TYR 32 1.125 -3.002 1.968 38 HE2 TYR 32 HE2 TYR 32 -0.522 -1.940 -1.822 39 HH TYR 32 HH TYR 32 -0.796 -4.021 -0.723 40 H ALA 33 HN ALA 33 3.664 2.445 2.545 41 HA ALA 33 HA ALA 33 5.630 4.233 1.286 42 HB1 ALA 33 HB1 ALA 33 5.488 5.809 3.093 43 HB2 ALA 33 HB2 ALA 33 4.316 4.799 3.938 44 HB3 ALA 33 HB3 ALA 33 3.874 5.580 2.421 45 H CYS 34 HN CYS 34 7.663 3.670 1.784 46 HA CYS 34 HA CYS 34 8.035 1.529 3.711 47 HB2 CYS 34 HB2 CYS 34 10.201 1.233 2.726 48 HB3 CYS 34 HB1 CYS 34 9.046 1.466 1.416 49 H GLU 35 HN GLU 35 10.411 1.726 4.728 50 HA GLU 35 HA GLU 35 10.200 3.651 6.771 51 HB2 GLU 35 HB2 GLU 35 12.505 2.821 7.384 52 HB3 GLU 35 HB1 GLU 35 11.248 1.597 7.288 53 HG2 GLU 35 HG2 GLU 35 12.037 0.950 5.077 54 HG3 GLU 35 HG1 GLU 35 13.290 2.186 5.161 55 H LYS 36 HN LYS 36 11.521 3.933 3.620 56 HA LYS 36 HA LYS 36 13.314 6.103 4.347 57 HB2 LYS 36 HB2 LYS 36 12.597 4.773 1.779 58 HB3 LYS 36 HB1 LYS 36 13.306 6.369 1.736 59 HG2 LYS 36 HG2 LYS 36 15.055 4.822 1.424 60 HG3 LYS 36 HG1 LYS 36 15.219 5.447 3.066 61 HD2 LYS 36 HD2 LYS 36 15.534 2.995 2.898 62 HD3 LYS 36 HD1 LYS 36 14.223 3.486 3.978 63 HE2 LYS 36 HE2 LYS 36 13.753 1.538 2.392 64 HE3 LYS 36 HE1 LYS 36 12.568 2.839 2.458 65 HZ1 LYS 36 HZ1 LYS 36 13.409 3.735 0.410 66 HZ2 LYS 36 HZ2 LYS 36 13.078 2.091 0.183 67 HZ3 LYS 36 HZ3 LYS 36 14.676 2.604 0.376 68 H GLY 37 HN GLY 37 10.070 5.601 3.378 69 HA2 GLY 37 HA2 GLY 37 8.428 7.351 3.443 70 HA3 GLY 37 HA1 GLY 37 9.686 8.491 2.977 71 H HIS 38 HN HIS 38 10.118 5.704 1.228 72 HA HIS 38 HA HIS 38 9.275 6.864 -1.220 73 HB2 HIS 38 HB2 HIS 38 10.213 4.093 -0.471 74 HB3 HIS 38 HB1 HIS 38 9.695 4.483 -2.106 75 HD2 HIS 38 HD2 HIS 38 11.320 6.545 -3.346 76 HE1 HIS 38 HE1 HIS 38 14.647 5.569 -0.924 77 HE2 HIS 38 HE2 HIS 38 13.854 6.899 -2.924 78 H ARG 39 HN ARG 39 7.162 7.263 -1.427 79 HA ARG 39 HA ARG 39 5.240 5.174 -0.736 80 HB2 ARG 39 HB2 ARG 39 4.738 8.016 -1.603 81 HB3 ARG 39 HB1 ARG 39 3.525 6.879 -1.048 82 HG2 ARG 39 HG2 ARG 39 4.745 6.786 1.137 83 HG3 ARG 39 HG1 ARG 39 5.734 8.127 0.556 84 HD2 ARG 39 HD2 ARG 39 3.842 9.556 0.388 85 HD3 ARG 39 HD1 ARG 39 2.732 8.214 0.652 86 HE ARG 39 HE ARG 39 4.612 8.935 2.780 87 HH11 ARG 39 HH11 ARG 39 1.320 8.828 1.571 88 HH12 ARG 39 HH12 ARG 39 0.608 9.079 3.134 89 HH21 ARG 39 HH21 ARG 39 3.677 9.262 4.829 90 HH22 ARG 39 HH22 ARG 39 1.949 9.352 4.983 91 H PHE 40 HN PHE 40 3.906 4.259 -2.189 92 HA PHE 40 HA PHE 40 3.941 5.075 -4.962 93 HB2 PHE 40 HB2 PHE 40 4.551 2.786 -5.762 94 HB3 PHE 40 HB1 PHE 40 5.873 3.653 -4.994 95 HD1 PHE 40 HD2 PHE 40 6.492 3.050 -2.625 96 HD2 PHE 40 HD1 PHE 40 3.853 0.694 -4.989 97 HE1 PHE 40 HE2 PHE 40 6.844 1.142 -1.111 98 HE2 PHE 40 HE1 PHE 40 4.193 -1.215 -3.479 99 HZ PHE 40 HZ PHE 40 5.774 -1.019 -1.590 100 H GLU 41 HN GLU 41 2.313 4.068 -6.219 101 HA GLU 41 HA GLU 41 0.069 3.140 -4.564 102 HB2 GLU 41 HB2 GLU 41 0.109 4.394 -7.321 103 HB3 GLU 41 HB1 GLU 41 -1.339 3.889 -6.463 104 HG2 GLU 41 HG2 GLU 41 -1.047 5.560 -4.809 105 HG3 GLU 41 HG1 GLU 41 0.573 5.944 -5.393 106 H MET 42 HN MET 42 -0.912 1.214 -4.995 107 HA MET 42 HA MET 42 -0.144 -0.216 -7.439 108 HB2 MET 42 HB2 MET 42 -0.162 -1.419 -4.661 109 HB3 MET 42 HB1 MET 42 0.003 -2.337 -6.151 110 HG2 MET 42 HG2 MET 42 2.041 -0.845 -6.608 111 HG3 MET 42 HG1 MET 42 1.937 -0.429 -4.899 112 HE1 MET 42 HE1 MET 42 2.236 -4.074 -3.320 113 HE2 MET 42 HE2 MET 42 0.743 -3.332 -3.894 114 HE3 MET 42 HE3 MET 42 1.903 -2.377 -2.969 115 HA PRO 43 HA PRO 43 -4.493 -0.856 -7.553 116 HB2 PRO 43 HB2 PRO 43 -4.670 -2.680 -9.515 117 HB3 PRO 43 HB1 PRO 43 -4.159 -1.017 -9.824 118 HG2 PRO 43 HG2 PRO 43 -2.517 -3.498 -9.609 119 HG3 PRO 43 HG1 PRO 43 -2.320 -2.112 -10.695 120 HD2 PRO 43 HD2 PRO 43 -0.877 -2.534 -8.363 121 HD3 PRO 43 HD1 PRO 43 -1.068 -0.970 -9.177 122 H PHE 44 HN PHE 44 -5.615 -1.817 -6.050 123 HA PHE 44 HA PHE 44 -5.526 -4.756 -5.828 124 HB2 PHE 44 HB2 PHE 44 -5.439 -2.683 -3.687 125 HB3 PHE 44 HB1 PHE 44 -6.430 -4.105 -3.386 126 HD1 PHE 44 HD2 PHE 44 -5.415 -6.312 -3.217 127 HD2 PHE 44 HD1 PHE 44 -3.037 -2.814 -3.710 128 HE1 PHE 44 HE2 PHE 44 -3.423 -7.568 -2.505 129 HE2 PHE 44 HE1 PHE 44 -1.045 -4.066 -2.997 130 HZ PHE 44 HZ PHE 44 -1.235 -6.444 -2.393 131 H SER 45 HN SER 45 -7.711 -5.334 -4.479 132 HA SER 45 HA SER 45 -9.901 -4.192 -5.971 133 HB2 SER 45 HB2 SER 45 -9.852 -6.598 -5.277 134 HB3 SER 45 HB1 SER 45 -9.965 -6.054 -3.607 135 HG SER 45 HG SER 45 -12.014 -6.615 -4.442 136 H VAL 46 HN VAL 46 -11.302 -2.687 -5.282 137 HA VAL 46 HA VAL 46 -10.548 -1.049 -3.065 138 HB VAL 46 HB VAL 46 -11.595 -0.370 -5.303 139 HG11 VAL 46 HG11 VAL 46 -14.117 -1.040 -3.808 140 HG12 VAL 46 HG12 VAL 46 -13.521 -1.823 -5.270 141 HG13 VAL 46 HG13 VAL 46 -14.031 -0.136 -5.321 142 HG21 VAL 46 HG21 VAL 46 -12.561 0.817 -2.712 143 HG22 VAL 46 HG22 VAL 46 -12.717 1.595 -4.285 144 HG23 VAL 46 HG23 VAL 46 -11.118 1.263 -3.623 145 H GLU 47 HN GLU 47 -12.189 -3.886 -3.220 146 HA GLU 47 HA GLU 47 -13.749 -3.297 -0.791 147 HB2 GLU 47 HB2 GLU 47 -14.386 -5.391 -2.877 148 HB3 GLU 47 HB1 GLU 47 -15.371 -4.954 -1.486 149 HG2 GLU 47 HG2 GLU 47 -15.810 -2.784 -2.412 150 HG3 GLU 47 HG1 GLU 47 -14.703 -3.090 -3.749 151 H ALA 48 HN ALA 48 -10.937 -4.312 -1.310 152 HA ALA 48 HA ALA 48 -11.156 -6.958 -0.033 153 HB1 ALA 48 HB1 ALA 48 -8.954 -5.741 -1.694 154 HB2 ALA 48 HB2 ALA 48 -9.973 -7.131 -2.089 155 HB3 ALA 48 HB3 ALA 48 -8.783 -7.250 -0.795 156 H GLU 49 HN GLU 49 -9.546 -7.492 1.563 157 HA GLU 49 HA GLU 49 -9.023 -5.315 3.393 158 HB2 GLU 49 HB2 GLU 49 -8.481 -8.287 3.535 159 HB3 GLU 49 HB1 GLU 49 -8.113 -7.157 4.831 160 HG2 GLU 49 HG2 GLU 49 -10.418 -6.637 5.133 161 HG3 GLU 49 HG1 GLU 49 -10.864 -7.550 3.692 162 H ILE 50 HN ILE 50 -7.514 -4.082 2.329 163 HA ILE 50 HA ILE 50 -5.291 -4.999 0.925 164 HB ILE 50 HB ILE 50 -5.420 -2.376 2.411 165 HG12 ILE 50 HG12 ILE 50 -7.492 -2.583 1.189 166 HG13 ILE 50 HG11 ILE 50 -6.445 -1.464 0.324 167 HG21 ILE 50 HG21 ILE 50 -3.259 -2.973 1.387 168 HG22 ILE 50 HG22 ILE 50 -3.990 -1.552 0.640 169 HG23 ILE 50 HG23 ILE 50 -4.061 -3.115 -0.178 170 HD11 ILE 50 HD11 ILE 50 -6.941 -4.345 -0.386 171 HD12 ILE 50 HD12 ILE 50 -5.855 -3.250 -1.244 172 HD13 ILE 50 HD13 ILE 50 -7.591 -2.929 -1.215 173 HA PRO 51 HA PRO 51 -2.830 -6.645 4.265 174 HB2 PRO 51 HB2 PRO 51 -0.482 -6.723 2.791 175 HB3 PRO 51 HB1 PRO 51 -1.698 -8.000 2.837 176 HG2 PRO 51 HG2 PRO 51 -1.263 -5.866 0.801 177 HG3 PRO 51 HG1 PRO 51 -1.758 -7.554 0.575 178 HD2 PRO 51 HD2 PRO 51 -3.513 -5.527 0.415 179 HD3 PRO 51 HD1 PRO 51 -3.968 -7.107 1.090 180 HA PRO 52 HA PRO 52 -1.389 -2.764 5.891 181 HB2 PRO 52 HB2 PRO 52 -0.015 -4.546 7.826 182 HB3 PRO 52 HB1 PRO 52 -1.125 -3.204 8.118 183 HG2 PRO 52 HG2 PRO 52 -1.933 -5.717 8.424 184 HG3 PRO 52 HG1 PRO 52 -3.006 -4.499 7.706 185 HD2 PRO 52 HD2 PRO 52 -1.420 -6.654 6.368 186 HD3 PRO 52 HD1 PRO 52 -3.065 -6.081 6.022 187 H GLU 53 HN GLU 53 0.646 -5.188 4.606 188 HA GLU 53 HA GLU 53 2.777 -3.247 4.334 189 HB2 GLU 53 HB2 GLU 53 4.509 -4.790 5.193 190 HB3 GLU 53 HB1 GLU 53 3.378 -4.285 6.440 191 HG2 GLU 53 HG2 GLU 53 2.144 -6.472 5.916 192 HG3 GLU 53 HG1 GLU 53 3.632 -6.947 5.100 193 H TRP 54 HN TRP 54 4.159 -3.660 2.621 194 HA TRP 54 HA TRP 54 3.949 -6.149 1.169 195 HB2 TRP 54 HB2 TRP 54 2.121 -4.541 0.310 196 HB3 TRP 54 HB1 TRP 54 3.451 -3.604 -0.361 197 HD1 TRP 54 HD1 TRP 54 4.811 -4.704 -2.422 198 HE1 TRP 54 HE1 TRP 54 4.162 -6.551 -4.097 199 HE3 TRP 54 HE3 TRP 54 0.824 -6.703 0.076 200 HZ2 TRP 54 HZ2 TRP 54 2.218 -8.579 -4.326 201 HZ3 TRP 54 HZ3 TRP 54 -0.376 -8.594 -0.941 202 HH2 TRP 54 HH2 TRP 54 0.308 -9.512 -3.097 203 H GLU 55 HN GLU 55 5.684 -6.285 -0.493 204 HA GLU 55 HA GLU 55 8.079 -5.080 0.464 205 HB2 GLU 55 HB2 GLU 55 8.047 -7.334 -0.500 206 HB3 GLU 55 HB1 GLU 55 7.599 -6.665 -2.061 207 HG2 GLU 55 HG2 GLU 55 9.704 -5.530 -2.241 208 HG3 GLU 55 HG1 GLU 55 10.146 -6.010 -0.604 209 H CYS 56 HN CYS 56 9.379 -3.546 -0.442 210 HA CYS 56 HA CYS 56 8.033 -1.510 -1.968 211 HB2 CYS 56 HB2 CYS 56 9.378 -0.695 -0.205 212 HB3 CYS 56 HB1 CYS 56 10.731 -1.728 -0.646 213 H LYS 57 HN LYS 57 7.788 -1.992 -4.063 214 HA LYS 57 HA LYS 57 9.858 -3.134 -5.688 215 HB2 LYS 57 HB2 LYS 57 7.107 -2.103 -6.134 216 HB3 LYS 57 HB1 LYS 57 8.184 -2.125 -7.519 217 HG2 LYS 57 HG2 LYS 57 6.907 -4.125 -7.556 218 HG3 LYS 57 HG1 LYS 57 8.555 -4.552 -7.110 219 HD2 LYS 57 HD2 LYS 57 6.583 -4.032 -4.943 220 HD3 LYS 57 HD1 LYS 57 6.476 -5.548 -5.834 221 HE2 LYS 57 HE2 LYS 57 8.935 -4.526 -4.417 222 HE3 LYS 57 HE1 LYS 57 7.829 -5.738 -3.783 223 HZ1 LYS 57 HZ1 LYS 57 9.686 -6.847 -4.730 224 HZ2 LYS 57 HZ2 LYS 57 9.562 -5.979 -6.179 225 HZ3 LYS 57 HZ3 LYS 57 8.369 -7.108 -5.765 226 H VAL 58 HN VAL 58 10.000 -0.302 -4.248 227 HA VAL 58 HA VAL 58 10.569 1.315 -6.628 228 HB VAL 58 HB VAL 58 10.216 2.192 -3.758 229 HG11 VAL 58 HG11 VAL 58 10.515 3.833 -6.272 230 HG12 VAL 58 HG12 VAL 58 11.713 3.677 -4.986 231 HG13 VAL 58 HG13 VAL 58 10.168 4.465 -4.663 232 HG21 VAL 58 HG21 VAL 58 8.381 2.460 -6.136 233 HG22 VAL 58 HG22 VAL 58 8.094 3.125 -4.528 234 HG23 VAL 58 HG23 VAL 58 8.146 1.379 -4.764 235 H CYS 59 HN CYS 59 12.000 0.807 -3.377 236 HA CYS 59 HA CYS 59 14.550 1.678 -4.563 237 HB2 CYS 59 HB2 CYS 59 13.739 3.184 -2.845 238 HB3 CYS 59 HB1 CYS 59 13.576 1.851 -1.710 239 H GLY 60 HN GLY 60 13.187 -0.648 -2.228 240 HA2 GLY 60 HA2 GLY 60 14.175 -2.957 -2.721 241 HA3 GLY 60 HA1 GLY 60 15.715 -2.156 -2.443 242 H ALA 61 HN ALA 61 12.575 -2.703 -0.884 243 HA ALA 61 HA ALA 61 13.667 -3.694 1.523 244 HB1 ALA 61 HB1 ALA 61 13.102 -1.827 3.026 245 HB2 ALA 61 HB2 ALA 61 12.703 -0.827 1.630 246 HB3 ALA 61 HB3 ALA 61 14.361 -1.371 1.878 247 H GLN 62 HN GLN 62 11.643 -3.101 3.314 248 HA GLN 62 HA GLN 62 9.250 -3.962 1.859 249 HB2 GLN 62 HB2 GLN 62 9.984 -5.273 3.872 250 HB3 GLN 62 HB1 GLN 62 9.642 -3.852 4.853 251 HG2 GLN 62 HG2 GLN 62 7.306 -3.915 4.052 252 HG3 GLN 62 HG1 GLN 62 7.674 -5.408 3.197 253 HE21 GLN 62 HE21 GLN 62 6.207 -6.597 4.327 254 HE22 GLN 62 HE22 GLN 62 6.389 -7.001 6.001 255 H ALA 63 HN ALA 63 7.303 -2.852 2.018 256 HA ALA 63 HA ALA 63 7.491 -0.135 3.128 257 HB1 ALA 63 HB1 ALA 63 5.933 -1.018 0.703 258 HB2 ALA 63 HB2 ALA 63 7.447 -0.113 0.679 259 HB3 ALA 63 HB3 ALA 63 5.994 0.618 1.362 260 H LEU 64 HN LEU 64 5.634 0.689 4.150 261 HA LEU 64 HA LEU 64 3.786 -1.417 5.014 262 HB2 LEU 64 HB2 LEU 64 4.485 1.235 6.268 263 HB3 LEU 64 HB1 LEU 64 3.254 0.148 6.884 264 HG LEU 64 HG LEU 64 6.199 -0.491 6.667 265 HD11 LEU 64 HD11 LEU 64 5.757 1.139 8.398 266 HD12 LEU 64 HD12 LEU 64 6.151 -0.423 9.115 267 HD13 LEU 64 HD13 LEU 64 4.475 0.125 9.059 268 HD21 LEU 64 HD21 LEU 64 5.608 -2.495 7.972 269 HD22 LEU 64 HD22 LEU 64 4.844 -2.484 6.384 270 HD23 LEU 64 HD23 LEU 64 3.903 -2.077 7.817 271 H LEU 65 HN LEU 65 1.633 -1.205 4.841 272 HA LEU 65 HA LEU 65 0.656 0.507 2.764 273 HB2 LEU 65 HB2 LEU 65 -0.064 -1.846 3.147 274 HB3 LEU 65 HB1 LEU 65 -0.790 -1.347 4.660 275 HG LEU 65 HG LEU 65 -2.331 -1.719 2.660 276 HD11 LEU 65 HD11 LEU 65 -2.503 0.913 4.105 277 HD12 LEU 65 HD12 LEU 65 -3.024 -0.644 4.744 278 HD13 LEU 65 HD13 LEU 65 -3.832 0.043 3.338 279 HD21 LEU 65 HD21 LEU 65 -1.030 -0.514 1.002 280 HD22 LEU 65 HD22 LEU 65 -1.238 0.984 1.910 281 HD23 LEU 65 HD23 LEU 65 -2.635 0.195 1.179 282 H VAL 66 HN VAL 66 0.144 2.576 3.091 283 HA VAL 66 HA VAL 66 -0.370 3.424 5.846 284 HB VAL 66 HB VAL 66 0.167 5.735 5.010 285 HG11 VAL 66 HG11 VAL 66 2.317 3.642 4.708 286 HG12 VAL 66 HG12 VAL 66 1.780 4.367 6.223 287 HG13 VAL 66 HG13 VAL 66 2.577 5.361 5.006 288 HG21 VAL 66 HG21 VAL 66 -0.240 5.379 2.627 289 HG22 VAL 66 HG22 VAL 66 1.102 4.236 2.560 290 HG23 VAL 66 HG23 VAL 66 1.410 5.937 2.910 291 H ASP 67 HN ASP 67 -2.366 3.667 6.384 292 HA ASP 67 HA ASP 67 -4.525 4.328 6.452 293 HB2 ASP 67 HB2 ASP 67 -3.531 6.407 4.502 294 HB3 ASP 67 HB1 ASP 67 -5.068 6.476 5.354 295 H GLY 68 HN GLY 68 -4.295 2.157 4.944 296 HA2 GLY 68 HA2 GLY 68 -6.293 2.665 2.828 297 HA3 GLY 68 HA1 GLY 68 -4.992 1.504 2.598 298 H ASP 69 HN ASP 69 -7.585 2.277 4.878 299 HA ASP 69 HA ASP 69 -7.681 -0.445 5.822 300 HB2 ASP 69 HB2 ASP 69 -8.092 1.552 7.291 301 HB3 ASP 69 HB1 ASP 69 -9.598 1.818 6.420 302 H GLY 70 HN GLY 70 -8.044 -0.931 3.374 303 HA2 GLY 70 HA2 GLY 70 -9.644 -2.425 2.406 304 HA3 GLY 70 HA1 GLY 70 -10.930 -1.444 3.091 305 HA PRO 71 HA PRO 71 -11.546 0.488 -0.836 306 HB2 PRO 71 HB2 PRO 71 -12.014 3.069 0.065 307 HB3 PRO 71 HB1 PRO 71 -13.230 1.807 -0.123 308 HG2 PRO 71 HG2 PRO 71 -11.788 2.698 2.331 309 HG3 PRO 71 HG1 PRO 71 -13.470 2.165 2.145 310 HD2 PRO 71 HD2 PRO 71 -11.615 0.559 3.207 311 HD3 PRO 71 HD1 PRO 71 -12.883 -0.084 2.141 312 H GLU 72 HN GLU 72 -10.062 1.025 -2.232 313 HA GLU 72 HA GLU 72 -7.557 2.160 -1.582 314 HB2 GLU 72 HB2 GLU 72 -8.893 1.994 -4.284 315 HB3 GLU 72 HB1 GLU 72 -7.178 2.215 -3.981 316 HG2 GLU 72 HG2 GLU 72 -7.073 -0.016 -2.997 317 HG3 GLU 72 HG1 GLU 72 -8.792 -0.231 -3.324 318 H GLU 73 HN GLU 73 -6.714 4.189 -2.101 319 HA GLU 73 HA GLU 73 -6.670 6.442 -2.342 320 HB2 GLU 73 HB2 GLU 73 -7.335 5.751 -4.643 321 HB3 GLU 73 HB1 GLU 73 -9.018 5.968 -4.193 322 HG2 GLU 73 HG2 GLU 73 -8.257 7.877 -5.433 323 HG3 GLU 73 HG1 GLU 73 -8.567 8.349 -3.763 324 H LYS 74 HN LYS 74 -7.565 6.123 -0.022 325 HA LYS 74 HA LYS 74 -9.899 7.888 0.218 326 HB2 LYS 74 HB2 LYS 74 -10.690 5.585 0.599 327 HB3 LYS 74 HB1 LYS 74 -9.470 5.376 1.850 328 HG2 LYS 74 HG2 LYS 74 -10.530 7.219 3.126 329 HG3 LYS 74 HG1 LYS 74 -11.800 7.286 1.904 330 HD2 LYS 74 HD2 LYS 74 -12.659 5.977 3.675 331 HD3 LYS 74 HD1 LYS 74 -12.224 4.842 2.398 332 HE2 LYS 74 HE2 LYS 74 -11.508 3.975 4.535 333 HE3 LYS 74 HE1 LYS 74 -10.097 4.392 3.566 334 HZ1 LYS 74 HZ1 LYS 74 -10.005 5.089 5.947 335 HZ2 LYS 74 HZ2 LYS 74 -11.240 6.196 5.623 336 HZ3 LYS 74 HZ3 LYS 74 -9.746 6.342 4.842 337 H LYS 75 HN LYS 75 -7.327 6.250 2.021 338 HA LYS 75 HA LYS 75 -6.042 6.835 3.768 339 HB2 LYS 75 HB2 LYS 75 -5.325 8.662 2.246 340 HB3 LYS 75 HB1 LYS 75 -6.587 9.685 2.918 341 HG2 LYS 75 HG2 LYS 75 -5.533 9.639 5.085 342 HG3 LYS 75 HG1 LYS 75 -4.323 8.493 4.505 343 HD2 LYS 75 HD2 LYS 75 -3.541 10.182 2.888 344 HD3 LYS 75 HD1 LYS 75 -4.714 11.326 3.545 345 HE2 LYS 75 HE2 LYS 75 -2.519 10.011 5.139 346 HE3 LYS 75 HE1 LYS 75 -2.418 11.625 4.445 347 HZ1 LYS 75 HZ1 LYS 75 -3.048 11.660 6.788 348 HZ2 LYS 75 HZ2 LYS 75 -4.430 10.753 6.442 349 HZ3 LYS 75 HZ3 LYS 75 -4.266 12.311 5.812 Start of MODEL 5 1 H1 GLN 28 HT1 GLN 28 -8.788 5.576 -6.314 2 H2 GLN 28 HT2 GLN 28 -10.346 5.099 -6.789 3 H3 GLN 28 HT3 GLN 28 -9.028 4.820 -7.810 4 HA GLN 28 HA GLN 28 -9.398 3.594 -5.144 5 HB2 GLN 28 HB2 GLN 28 -9.758 2.420 -7.909 6 HB3 GLN 28 HB1 GLN 28 -9.743 1.486 -6.420 7 HG2 GLN 28 HG2 GLN 28 -11.698 2.827 -5.648 8 HG3 GLN 28 HG1 GLN 28 -11.752 3.562 -7.248 9 HE21 GLN 28 HE21 GLN 28 -10.946 1.058 -8.558 10 HE22 GLN 28 HE22 GLN 28 -12.347 0.045 -8.536 11 H ALA 29 HN ALA 29 -7.267 4.068 -4.550 12 HA ALA 29 HA ALA 29 -5.304 2.322 -5.825 13 HB1 ALA 29 HB1 ALA 29 -3.590 4.059 -5.777 14 HB2 ALA 29 HB2 ALA 29 -4.778 5.222 -5.188 15 HB3 ALA 29 HB3 ALA 29 -4.944 4.533 -6.803 16 H VAL 30 HN VAL 30 -3.929 1.350 -4.403 17 HA VAL 30 HA VAL 30 -4.192 2.042 -1.569 18 HB VAL 30 HB VAL 30 -3.039 -0.030 -1.071 19 HG11 VAL 30 HG11 VAL 30 -5.422 -0.214 -1.453 20 HG12 VAL 30 HG12 VAL 30 -4.599 -1.667 -2.021 21 HG13 VAL 30 HG13 VAL 30 -5.148 -0.456 -3.178 22 HG21 VAL 30 HG21 VAL 30 -2.261 -1.556 -2.776 23 HG22 VAL 30 HG22 VAL 30 -1.450 0.002 -2.935 24 HG23 VAL 30 HG23 VAL 30 -2.755 -0.432 -4.041 25 H GLU 31 HN GLU 31 -2.428 2.749 -0.336 26 HA GLU 31 HA GLU 31 -0.063 3.480 -1.928 27 HB2 GLU 31 HB2 GLU 31 -1.423 5.437 -1.328 28 HB3 GLU 31 HB1 GLU 31 -1.267 5.009 0.371 29 HG2 GLU 31 HG2 GLU 31 1.132 5.356 0.263 30 HG3 GLU 31 HG1 GLU 31 1.021 5.713 -1.458 31 H TYR 32 HN TYR 32 1.776 2.721 -1.272 32 HA TYR 32 HA TYR 32 2.024 1.769 1.506 33 HB2 TYR 32 HB2 TYR 32 3.319 0.727 -1.018 34 HB3 TYR 32 HB1 TYR 32 3.813 0.242 0.598 35 HD1 TYR 32 HD1 TYR 32 2.396 -1.187 1.953 36 HD2 TYR 32 HD2 TYR 32 1.228 -0.050 -1.974 37 HE1 TYR 32 HE1 TYR 32 0.697 -2.961 1.955 38 HE2 TYR 32 HE2 TYR 32 -0.477 -1.824 -1.992 39 HH TYR 32 HH TYR 32 -1.324 -3.567 0.873 40 H ALA 33 HN ALA 33 3.702 2.504 2.696 41 HA ALA 33 HA ALA 33 5.661 4.224 1.330 42 HB1 ALA 33 HB1 ALA 33 3.988 5.568 2.547 43 HB2 ALA 33 HB2 ALA 33 5.619 5.764 3.184 44 HB3 ALA 33 HB3 ALA 33 4.455 4.754 4.040 45 H CYS 34 HN CYS 34 7.615 3.392 1.514 46 HA CYS 34 HA CYS 34 8.241 1.535 3.642 47 HB2 CYS 34 HB2 CYS 34 9.139 0.977 1.494 48 HB3 CYS 34 HB1 CYS 34 9.823 2.578 1.295 49 H GLU 35 HN GLU 35 10.072 1.809 5.030 50 HA GLU 35 HA GLU 35 10.047 4.357 6.300 51 HB2 GLU 35 HB2 GLU 35 11.717 3.311 7.828 52 HB3 GLU 35 HB1 GLU 35 10.231 2.391 7.655 53 HG2 GLU 35 HG2 GLU 35 11.411 0.955 5.982 54 HG3 GLU 35 HG1 GLU 35 12.897 1.803 6.404 55 H LYS 36 HN LYS 36 11.697 3.240 3.634 56 HA LYS 36 HA LYS 36 14.080 4.783 3.898 57 HB2 LYS 36 HB2 LYS 36 13.768 2.836 2.344 58 HB3 LYS 36 HB1 LYS 36 12.671 3.826 1.396 59 HG2 LYS 36 HG2 LYS 36 14.737 3.896 0.298 60 HG3 LYS 36 HG1 LYS 36 14.560 5.448 1.116 61 HD2 LYS 36 HD2 LYS 36 16.787 4.778 1.520 62 HD3 LYS 36 HD1 LYS 36 15.913 4.435 3.013 63 HE2 LYS 36 HE2 LYS 36 17.287 2.550 2.582 64 HE3 LYS 36 HE1 LYS 36 15.639 2.071 2.181 65 HZ1 LYS 36 HZ1 LYS 36 17.227 1.342 0.507 66 HZ2 LYS 36 HZ2 LYS 36 17.699 2.938 0.226 67 HZ3 LYS 36 HZ3 LYS 36 16.126 2.445 -0.153 68 H GLY 37 HN GLY 37 10.786 5.395 3.160 69 HA2 GLY 37 HA2 GLY 37 10.067 7.723 3.392 70 HA3 GLY 37 HA1 GLY 37 11.462 8.174 2.424 71 H HIS 38 HN HIS 38 10.727 5.595 0.830 72 HA HIS 38 HA HIS 38 9.449 7.034 -1.272 73 HB2 HIS 38 HB2 HIS 38 10.272 4.147 -0.973 74 HB3 HIS 38 HB1 HIS 38 9.515 4.778 -2.429 75 HD2 HIS 38 HD2 HIS 38 11.166 6.039 -4.167 76 HE1 HIS 38 HE1 HIS 38 14.640 5.818 -1.763 77 HE2 HIS 38 HE2 HIS 38 13.755 6.196 -4.104 78 H ARG 39 HN ARG 39 7.364 7.232 -1.675 79 HA ARG 39 HA ARG 39 5.505 5.200 -0.630 80 HB2 ARG 39 HB2 ARG 39 4.924 8.029 -1.535 81 HB3 ARG 39 HB1 ARG 39 3.717 6.871 -1.004 82 HG2 ARG 39 HG2 ARG 39 4.938 6.797 1.201 83 HG3 ARG 39 HG1 ARG 39 5.860 8.189 0.629 84 HD2 ARG 39 HD2 ARG 39 3.741 9.407 0.277 85 HD3 ARG 39 HD1 ARG 39 2.866 8.026 0.937 86 HE ARG 39 HE ARG 39 4.868 9.491 2.527 87 HH11 ARG 39 HH11 ARG 39 1.612 8.210 2.128 88 HH12 ARG 39 HH12 ARG 39 1.151 8.586 3.762 89 HH21 ARG 39 HH21 ARG 39 4.228 9.983 4.661 90 HH22 ARG 39 HH22 ARG 39 2.629 9.579 5.194 91 H PHE 40 HN PHE 40 3.886 4.415 -2.072 92 HA PHE 40 HA PHE 40 3.880 5.193 -4.825 93 HB2 PHE 40 HB2 PHE 40 4.506 2.939 -5.710 94 HB3 PHE 40 HB1 PHE 40 5.840 3.804 -4.961 95 HD1 PHE 40 HD2 PHE 40 6.634 3.125 -2.707 96 HD2 PHE 40 HD1 PHE 40 3.772 0.849 -4.883 97 HE1 PHE 40 HE2 PHE 40 7.091 1.188 -1.267 98 HE2 PHE 40 HE1 PHE 40 4.225 -1.096 -3.448 99 HZ PHE 40 HZ PHE 40 5.880 -0.929 -1.637 100 H GLU 41 HN GLU 41 2.192 4.212 -6.025 101 HA GLU 41 HA GLU 41 0.172 2.946 -4.310 102 HB2 GLU 41 HB2 GLU 41 -1.488 3.878 -5.963 103 HB3 GLU 41 HB1 GLU 41 -0.653 5.068 -4.978 104 HG2 GLU 41 HG2 GLU 41 0.813 5.615 -6.816 105 HG3 GLU 41 HG1 GLU 41 0.080 4.356 -7.806 106 H MET 42 HN MET 42 -0.946 1.178 -5.051 107 HA MET 42 HA MET 42 -0.057 0.008 -7.595 108 HB2 MET 42 HB2 MET 42 -0.054 -1.346 -4.889 109 HB3 MET 42 HB1 MET 42 0.015 -2.237 -6.407 110 HG2 MET 42 HG2 MET 42 2.073 -0.918 -6.974 111 HG3 MET 42 HG1 MET 42 2.038 -0.293 -5.327 112 HE1 MET 42 HE1 MET 42 0.947 -2.881 -3.770 113 HE2 MET 42 HE2 MET 42 2.251 -1.865 -3.163 114 HE3 MET 42 HE3 MET 42 2.464 -3.614 -3.254 115 HA PRO 43 HA PRO 43 -4.337 -0.975 -8.062 116 HB2 PRO 43 HB2 PRO 43 -4.234 -3.052 -9.778 117 HB3 PRO 43 HB1 PRO 43 -3.829 -1.402 -10.262 118 HG2 PRO 43 HG2 PRO 43 -2.017 -3.675 -9.576 119 HG3 PRO 43 HG1 PRO 43 -1.862 -2.463 -10.860 120 HD2 PRO 43 HD2 PRO 43 -0.512 -2.352 -8.477 121 HD3 PRO 43 HD1 PRO 43 -0.905 -0.929 -9.460 122 H PHE 44 HN PHE 44 -5.572 -1.849 -6.595 123 HA PHE 44 HA PHE 44 -5.463 -4.719 -6.089 124 HB2 PHE 44 HB2 PHE 44 -5.122 -2.572 -4.038 125 HB3 PHE 44 HB1 PHE 44 -6.092 -3.974 -3.600 126 HD1 PHE 44 HD2 PHE 44 -5.049 -6.231 -3.581 127 HD2 PHE 44 HD1 PHE 44 -2.768 -2.692 -4.200 128 HE1 PHE 44 HE2 PHE 44 -2.990 -7.468 -3.056 129 HE2 PHE 44 HE1 PHE 44 -0.705 -3.925 -3.680 130 HZ PHE 44 HZ PHE 44 -0.845 -6.353 -3.064 131 H SER 45 HN SER 45 -7.524 -5.128 -4.506 132 HA SER 45 HA SER 45 -9.782 -3.913 -5.903 133 HB2 SER 45 HB2 SER 45 -9.664 -6.394 -5.599 134 HB3 SER 45 HB1 SER 45 -9.755 -6.125 -3.860 135 HG SER 45 HG SER 45 -11.732 -5.857 -5.810 136 H VAL 46 HN VAL 46 -11.295 -2.676 -4.917 137 HA VAL 46 HA VAL 46 -10.527 -1.323 -2.518 138 HB VAL 46 HB VAL 46 -11.701 -0.349 -4.560 139 HG11 VAL 46 HG11 VAL 46 -14.137 -1.468 -3.188 140 HG12 VAL 46 HG12 VAL 46 -13.491 -1.980 -4.747 141 HG13 VAL 46 HG13 VAL 46 -14.136 -0.351 -4.553 142 HG21 VAL 46 HG21 VAL 46 -12.991 1.285 -3.185 143 HG22 VAL 46 HG22 VAL 46 -11.339 1.015 -2.639 144 HG23 VAL 46 HG23 VAL 46 -12.685 0.262 -1.781 145 H GLU 47 HN GLU 47 -12.253 -4.134 -3.177 146 HA GLU 47 HA GLU 47 -13.674 -4.023 -0.605 147 HB2 GLU 47 HB2 GLU 47 -14.052 -5.885 -2.956 148 HB3 GLU 47 HB1 GLU 47 -14.982 -5.936 -1.465 149 HG2 GLU 47 HG2 GLU 47 -15.878 -3.733 -1.914 150 HG3 GLU 47 HG1 GLU 47 -14.895 -3.610 -3.372 151 H ALA 48 HN ALA 48 -10.770 -4.786 -1.538 152 HA ALA 48 HA ALA 48 -10.586 -7.452 -0.359 153 HB1 ALA 48 HB1 ALA 48 -8.186 -7.284 -1.060 154 HB2 ALA 48 HB2 ALA 48 -8.569 -5.724 -1.794 155 HB3 ALA 48 HB3 ALA 48 -9.346 -7.195 -2.381 156 H GLU 49 HN GLU 49 -8.934 -7.862 1.266 157 HA GLU 49 HA GLU 49 -8.753 -5.710 3.214 158 HB2 GLU 49 HB2 GLU 49 -7.934 -8.618 3.330 159 HB3 GLU 49 HB1 GLU 49 -7.754 -7.485 4.663 160 HG2 GLU 49 HG2 GLU 49 -10.149 -7.184 4.776 161 HG3 GLU 49 HG1 GLU 49 -10.368 -8.226 3.372 162 H ILE 50 HN ILE 50 -7.340 -4.346 2.107 163 HA ILE 50 HA ILE 50 -4.985 -5.091 0.822 164 HB ILE 50 HB ILE 50 -5.524 -2.439 2.175 165 HG12 ILE 50 HG12 ILE 50 -7.365 -2.909 0.711 166 HG13 ILE 50 HG11 ILE 50 -6.320 -1.753 -0.106 167 HG21 ILE 50 HG21 ILE 50 -3.751 -3.074 -0.182 168 HG22 ILE 50 HG22 ILE 50 -3.180 -2.805 1.465 169 HG23 ILE 50 HG23 ILE 50 -3.972 -1.498 0.581 170 HD11 ILE 50 HD11 ILE 50 -5.355 -3.604 -1.413 171 HD12 ILE 50 HD12 ILE 50 -7.089 -3.411 -1.664 172 HD13 ILE 50 HD13 ILE 50 -6.487 -4.709 -0.634 173 HA PRO 51 HA PRO 51 -2.565 -6.595 4.236 174 HB2 PRO 51 HB2 PRO 51 -0.415 -6.011 2.256 175 HB3 PRO 51 HB1 PRO 51 -0.710 -7.477 3.196 176 HG2 PRO 51 HG2 PRO 51 -1.342 -7.391 0.621 177 HG3 PRO 51 HG1 PRO 51 -2.409 -8.198 1.786 178 HD2 PRO 51 HD2 PRO 51 -2.711 -5.544 0.456 179 HD3 PRO 51 HD1 PRO 51 -3.949 -6.742 0.890 180 HA PRO 52 HA PRO 52 -1.320 -2.738 6.117 181 HB2 PRO 52 HB2 PRO 52 0.135 -4.569 7.940 182 HB3 PRO 52 HB1 PRO 52 -1.049 -3.313 8.315 183 HG2 PRO 52 HG2 PRO 52 -1.720 -5.879 8.465 184 HG3 PRO 52 HG1 PRO 52 -2.857 -4.683 7.812 185 HD2 PRO 52 HD2 PRO 52 -1.122 -6.644 6.351 186 HD3 PRO 52 HD1 PRO 52 -2.811 -6.186 6.048 187 H GLU 53 HN GLU 53 0.841 -5.226 5.011 188 HA GLU 53 HA GLU 53 2.830 -3.146 4.524 189 HB2 GLU 53 HB2 GLU 53 4.671 -4.469 5.305 190 HB3 GLU 53 HB1 GLU 53 3.498 -4.359 6.605 191 HG2 GLU 53 HG2 GLU 53 3.722 -6.727 4.763 192 HG3 GLU 53 HG1 GLU 53 4.579 -6.594 6.295 193 H TRP 54 HN TRP 54 4.131 -3.514 2.696 194 HA TRP 54 HA TRP 54 3.829 -6.023 1.287 195 HB2 TRP 54 HB2 TRP 54 1.994 -4.430 0.474 196 HB3 TRP 54 HB1 TRP 54 3.296 -3.477 -0.232 197 HD1 TRP 54 HD1 TRP 54 4.532 -4.486 -2.382 198 HE1 TRP 54 HE1 TRP 54 3.895 -6.365 -4.021 199 HE3 TRP 54 HE3 TRP 54 0.816 -6.709 0.335 200 HZ2 TRP 54 HZ2 TRP 54 2.056 -8.496 -4.149 201 HZ3 TRP 54 HZ3 TRP 54 -0.331 -8.662 -0.624 202 HH2 TRP 54 HH2 TRP 54 0.277 -9.536 -2.818 203 H GLU 55 HN GLU 55 5.495 -6.300 -0.360 204 HA GLU 55 HA GLU 55 7.973 -5.122 0.330 205 HB2 GLU 55 HB2 GLU 55 7.835 -7.351 -0.667 206 HB3 GLU 55 HB1 GLU 55 7.196 -6.664 -2.153 207 HG2 GLU 55 HG2 GLU 55 9.292 -5.466 -2.505 208 HG3 GLU 55 HG1 GLU 55 9.933 -6.144 -1.010 209 H CYS 56 HN CYS 56 9.155 -3.522 -0.613 210 HA CYS 56 HA CYS 56 7.692 -1.555 -2.121 211 HB2 CYS 56 HB2 CYS 56 9.122 -0.713 -0.403 212 HB3 CYS 56 HB1 CYS 56 10.494 -1.637 -1.002 213 H LYS 57 HN LYS 57 7.436 -1.840 -4.209 214 HA LYS 57 HA LYS 57 9.281 -3.278 -5.859 215 HB2 LYS 57 HB2 LYS 57 6.718 -1.816 -6.284 216 HB3 LYS 57 HB1 LYS 57 7.744 -2.094 -7.680 217 HG2 LYS 57 HG2 LYS 57 6.084 -3.820 -7.545 218 HG3 LYS 57 HG1 LYS 57 7.669 -4.513 -7.226 219 HD2 LYS 57 HD2 LYS 57 6.026 -3.618 -4.912 220 HD3 LYS 57 HD1 LYS 57 5.564 -5.104 -5.743 221 HE2 LYS 57 HE2 LYS 57 8.286 -4.519 -4.577 222 HE3 LYS 57 HE1 LYS 57 7.047 -5.520 -3.826 223 HZ1 LYS 57 HZ1 LYS 57 7.172 -7.014 -5.737 224 HZ2 LYS 57 HZ2 LYS 57 8.665 -6.886 -4.949 225 HZ3 LYS 57 HZ3 LYS 57 8.403 -6.070 -6.410 226 H VAL 58 HN VAL 58 9.560 -0.292 -4.530 227 HA VAL 58 HA VAL 58 10.499 1.027 -6.967 228 HB VAL 58 HB VAL 58 10.041 2.199 -4.222 229 HG11 VAL 58 HG11 VAL 58 10.229 4.365 -5.355 230 HG12 VAL 58 HG12 VAL 58 10.630 3.538 -6.860 231 HG13 VAL 58 HG13 VAL 58 11.721 3.433 -5.478 232 HG21 VAL 58 HG21 VAL 58 7.957 1.475 -5.239 233 HG22 VAL 58 HG22 VAL 58 8.360 2.339 -6.722 234 HG23 VAL 58 HG23 VAL 58 8.057 3.236 -5.234 235 H CYS 59 HN CYS 59 11.638 0.676 -3.567 236 HA CYS 59 HA CYS 59 14.308 1.330 -4.610 237 HB2 CYS 59 HB2 CYS 59 13.328 2.842 -2.899 238 HB3 CYS 59 HB1 CYS 59 13.312 1.498 -1.762 239 H GLY 60 HN GLY 60 12.746 -0.862 -2.248 240 HA2 GLY 60 HA2 GLY 60 13.524 -3.248 -2.737 241 HA3 GLY 60 HA1 GLY 60 15.133 -2.583 -2.499 242 H ALA 61 HN ALA 61 12.027 -2.402 -0.761 243 HA ALA 61 HA ALA 61 13.206 -3.594 1.597 244 HB1 ALA 61 HB1 ALA 61 12.231 -0.727 1.660 245 HB2 ALA 61 HB2 ALA 61 13.908 -1.249 1.831 246 HB3 ALA 61 HB3 ALA 61 12.720 -1.681 3.063 247 H GLN 62 HN GLN 62 11.303 -3.103 3.456 248 HA GLN 62 HA GLN 62 8.830 -3.949 2.138 249 HB2 GLN 62 HB2 GLN 62 9.602 -5.349 4.010 250 HB3 GLN 62 HB1 GLN 62 9.529 -3.956 5.083 251 HG2 GLN 62 HG2 GLN 62 7.118 -3.794 4.707 252 HG3 GLN 62 HG1 GLN 62 7.193 -5.195 3.642 253 HE21 GLN 62 HE21 GLN 62 7.495 -7.230 4.525 254 HE22 GLN 62 HE22 GLN 62 7.263 -7.546 6.209 255 H ALA 63 HN ALA 63 7.252 -2.567 1.817 256 HA ALA 63 HA ALA 63 7.371 0.046 3.127 257 HB1 ALA 63 HB1 ALA 63 5.893 0.808 1.357 258 HB2 ALA 63 HB2 ALA 63 5.773 -0.836 0.730 259 HB3 ALA 63 HB3 ALA 63 7.315 0.017 0.678 260 H LEU 64 HN LEU 64 5.700 0.814 4.366 261 HA LEU 64 HA LEU 64 3.780 -1.196 5.248 262 HB2 LEU 64 HB2 LEU 64 4.441 1.535 6.355 263 HB3 LEU 64 HB1 LEU 64 3.303 0.410 7.071 264 HG LEU 64 HG LEU 64 6.270 -0.069 6.755 265 HD11 LEU 64 HD11 LEU 64 4.630 0.551 9.209 266 HD12 LEU 64 HD12 LEU 64 5.774 1.637 8.423 267 HD13 LEU 64 HD13 LEU 64 6.348 0.153 9.184 268 HD21 LEU 64 HD21 LEU 64 4.123 -1.721 8.088 269 HD22 LEU 64 HD22 LEU 64 5.855 -2.029 8.190 270 HD23 LEU 64 HD23 LEU 64 5.029 -2.149 6.638 271 H LEU 65 HN LEU 65 1.648 -1.069 4.912 272 HA LEU 65 HA LEU 65 0.625 0.673 2.903 273 HB2 LEU 65 HB2 LEU 65 -0.135 -1.666 3.333 274 HB3 LEU 65 HB1 LEU 65 -0.828 -1.125 4.850 275 HG LEU 65 HG LEU 65 -2.445 -1.477 2.942 276 HD11 LEU 65 HD11 LEU 65 -2.395 1.251 4.218 277 HD12 LEU 65 HD12 LEU 65 -3.080 -0.216 4.919 278 HD13 LEU 65 HD13 LEU 65 -3.796 0.485 3.468 279 HD21 LEU 65 HD21 LEU 65 -2.666 0.309 1.306 280 HD22 LEU 65 HD22 LEU 65 -1.101 -0.495 1.171 281 HD23 LEU 65 HD23 LEU 65 -1.218 1.083 1.950 282 H VAL 66 HN VAL 66 0.021 2.729 3.194 283 HA VAL 66 HA VAL 66 -0.424 3.617 5.955 284 HB VAL 66 HB VAL 66 0.103 5.919 5.083 285 HG11 VAL 66 HG11 VAL 66 2.510 5.559 5.033 286 HG12 VAL 66 HG12 VAL 66 2.263 3.842 4.722 287 HG13 VAL 66 HG13 VAL 66 1.760 4.540 6.263 288 HG21 VAL 66 HG21 VAL 66 1.292 6.095 2.949 289 HG22 VAL 66 HG22 VAL 66 -0.363 5.528 2.715 290 HG23 VAL 66 HG23 VAL 66 0.980 4.388 2.634 291 H ASP 67 HN ASP 67 -2.451 3.751 6.474 292 HA ASP 67 HA ASP 67 -4.601 4.414 6.575 293 HB2 ASP 67 HB2 ASP 67 -3.666 6.270 4.417 294 HB3 ASP 67 HB1 ASP 67 -5.367 6.191 4.857 295 H GLY 68 HN GLY 68 -5.354 2.411 6.131 296 HA2 GLY 68 HA2 GLY 68 -7.259 2.264 4.094 297 HA3 GLY 68 HA1 GLY 68 -5.851 1.349 3.567 298 H ASP 69 HN ASP 69 -5.106 -0.384 4.883 299 HA ASP 69 HA ASP 69 -5.505 -2.428 5.804 300 HB2 ASP 69 HB2 ASP 69 -5.214 -0.881 7.794 301 HB3 ASP 69 HB1 ASP 69 -6.969 -0.862 7.936 302 H GLY 70 HN GLY 70 -7.235 -1.939 3.814 303 HA2 GLY 70 HA2 GLY 70 -9.238 -3.684 3.856 304 HA3 GLY 70 HA1 GLY 70 -9.964 -2.329 4.712 305 HA PRO 71 HA PRO 71 -11.094 -1.047 0.592 306 HB2 PRO 71 HB2 PRO 71 -12.177 1.351 1.256 307 HB3 PRO 71 HB1 PRO 71 -13.023 -0.185 1.471 308 HG2 PRO 71 HG2 PRO 71 -11.557 1.470 3.484 309 HG3 PRO 71 HG1 PRO 71 -13.091 0.598 3.652 310 HD2 PRO 71 HD2 PRO 71 -10.742 -0.360 4.611 311 HD3 PRO 71 HD1 PRO 71 -12.048 -1.416 4.037 312 H GLU 72 HN GLU 72 -9.700 -0.280 -0.839 313 HA GLU 72 HA GLU 72 -7.533 1.428 -0.126 314 HB2 GLU 72 HB2 GLU 72 -6.841 1.245 -2.396 315 HB3 GLU 72 HB1 GLU 72 -7.498 -0.324 -1.949 316 HG2 GLU 72 HG2 GLU 72 -9.596 0.254 -3.068 317 HG3 GLU 72 HG1 GLU 72 -8.908 1.803 -3.539 318 H GLU 73 HN GLU 73 -7.094 3.514 -1.073 319 HA GLU 73 HA GLU 73 -7.534 5.635 -1.759 320 HB2 GLU 73 HB2 GLU 73 -8.809 4.468 -3.585 321 HB3 GLU 73 HB1 GLU 73 -10.263 4.675 -2.618 322 HG2 GLU 73 HG2 GLU 73 -10.280 6.427 -4.170 323 HG3 GLU 73 HG1 GLU 73 -9.758 7.155 -2.650 324 H LYS 74 HN LYS 74 -10.183 4.048 -0.068 325 HA LYS 74 HA LYS 74 -11.499 6.306 0.905 326 HB2 LYS 74 HB2 LYS 74 -12.360 3.962 0.914 327 HB3 LYS 74 HB1 LYS 74 -11.277 3.612 2.254 328 HG2 LYS 74 HG2 LYS 74 -12.432 5.188 3.662 329 HG3 LYS 74 HG1 LYS 74 -13.448 5.697 2.313 330 HD2 LYS 74 HD2 LYS 74 -13.383 2.937 3.530 331 HD3 LYS 74 HD1 LYS 74 -14.630 4.154 3.803 332 HE2 LYS 74 HE2 LYS 74 -15.130 4.124 1.379 333 HE3 LYS 74 HE1 LYS 74 -13.948 2.835 1.176 334 HZ1 LYS 74 HZ1 LYS 74 -16.433 2.695 2.792 335 HZ2 LYS 74 HZ2 LYS 74 -15.280 1.467 2.689 336 HZ3 LYS 74 HZ3 LYS 74 -16.152 1.923 1.315 337 H LYS 75 HN LYS 75 -8.898 4.380 2.346 338 HA LYS 75 HA LYS 75 -7.340 4.854 3.917 339 HB2 LYS 75 HB2 LYS 75 -8.128 7.682 3.215 340 HB3 LYS 75 HB1 LYS 75 -6.792 7.287 4.284 341 HG2 LYS 75 HG2 LYS 75 -5.695 6.075 2.462 342 HG3 LYS 75 HG1 LYS 75 -7.041 6.481 1.393 343 HD2 LYS 75 HD2 LYS 75 -6.559 8.854 1.670 344 HD3 LYS 75 HD1 LYS 75 -5.237 8.465 2.771 345 HE2 LYS 75 HE2 LYS 75 -4.067 7.303 0.981 346 HE3 LYS 75 HE1 LYS 75 -5.403 7.631 -0.122 347 HZ1 LYS 75 HZ1 LYS 75 -3.597 9.194 -0.439 348 HZ2 LYS 75 HZ2 LYS 75 -3.688 9.679 1.177 349 HZ3 LYS 75 HZ3 LYS 75 -4.972 9.996 0.125 Start of MODEL 6 1 H1 GLN 28 HT1 GLN 28 -10.419 4.829 -6.918 2 H2 GLN 28 HT2 GLN 28 -9.243 4.448 -8.067 3 H3 GLN 28 HT3 GLN 28 -8.804 5.277 -6.657 4 HA GLN 28 HA GLN 28 -9.422 3.354 -5.319 5 HB2 GLN 28 HB2 GLN 28 -9.950 2.161 -8.049 6 HB3 GLN 28 HB1 GLN 28 -9.746 1.191 -6.599 7 HG2 GLN 28 HG2 GLN 28 -11.695 2.189 -5.602 8 HG3 GLN 28 HG1 GLN 28 -11.863 3.294 -6.966 9 HE21 GLN 28 HE21 GLN 28 -12.142 -0.015 -5.918 10 HE22 GLN 28 HE22 GLN 28 -13.119 -0.556 -7.233 11 H ALA 29 HN ALA 29 -7.186 3.998 -4.975 12 HA ALA 29 HA ALA 29 -5.396 1.942 -6.030 13 HB1 ALA 29 HB1 ALA 29 -4.963 3.938 -7.386 14 HB2 ALA 29 HB2 ALA 29 -3.582 3.535 -6.368 15 HB3 ALA 29 HB3 ALA 29 -4.650 4.865 -5.920 16 H VAL 30 HN VAL 30 -4.050 1.104 -4.482 17 HA VAL 30 HA VAL 30 -4.327 2.194 -1.786 18 HB VAL 30 HB VAL 30 -3.338 0.173 -0.965 19 HG11 VAL 30 HG11 VAL 30 -4.829 -1.555 -1.895 20 HG12 VAL 30 HG12 VAL 30 -5.240 -0.463 -3.216 21 HG13 VAL 30 HG13 VAL 30 -5.668 -0.042 -1.558 22 HG21 VAL 30 HG21 VAL 30 -1.549 -0.071 -2.581 23 HG22 VAL 30 HG22 VAL 30 -2.713 -0.536 -3.821 24 HG23 VAL 30 HG23 VAL 30 -2.458 -1.574 -2.418 25 H GLU 31 HN GLU 31 -2.517 2.778 -0.501 26 HA GLU 31 HA GLU 31 -0.175 3.547 -2.110 27 HB2 GLU 31 HB2 GLU 31 -1.490 5.027 0.167 28 HB3 GLU 31 HB1 GLU 31 0.026 5.507 -0.585 29 HG2 GLU 31 HG2 GLU 31 -1.103 5.847 -2.700 30 HG3 GLU 31 HG1 GLU 31 -2.623 5.297 -2.000 31 H TYR 32 HN TYR 32 1.679 2.697 -1.497 32 HA TYR 32 HA TYR 32 1.960 1.804 1.300 33 HB2 TYR 32 HB2 TYR 32 3.213 0.742 -1.235 34 HB3 TYR 32 HB1 TYR 32 3.807 0.322 0.367 35 HD1 TYR 32 HD2 TYR 32 1.062 -0.098 -2.029 36 HD2 TYR 32 HD1 TYR 32 2.558 -1.156 1.808 37 HE1 TYR 32 HE2 TYR 32 -0.579 -1.925 -1.905 38 HE2 TYR 32 HE1 TYR 32 0.923 -2.987 1.948 39 HH TYR 32 HH TYR 32 -1.170 -3.652 1.026 40 H ALA 33 HN ALA 33 3.658 2.532 2.477 41 HA ALA 33 HA ALA 33 5.551 4.329 1.108 42 HB1 ALA 33 HB1 ALA 33 4.025 5.606 2.495 43 HB2 ALA 33 HB2 ALA 33 5.654 5.654 3.162 44 HB3 ALA 33 HB3 ALA 33 4.434 4.610 3.893 45 H CYS 34 HN CYS 34 7.588 3.685 1.200 46 HA CYS 34 HA CYS 34 8.253 1.356 2.772 47 HB2 CYS 34 HB2 CYS 34 10.342 1.373 1.516 48 HB3 CYS 34 HB1 CYS 34 8.976 1.561 0.421 49 H GLU 35 HN GLU 35 10.328 1.272 3.937 50 HA GLU 35 HA GLU 35 10.594 3.416 5.814 51 HB2 GLU 35 HB2 GLU 35 12.423 2.032 6.746 52 HB3 GLU 35 HB1 GLU 35 10.939 1.116 6.523 53 HG2 GLU 35 HG2 GLU 35 11.798 0.068 4.556 54 HG3 GLU 35 HG1 GLU 35 13.218 1.112 4.562 55 H LYS 36 HN LYS 36 11.510 3.313 2.721 56 HA LYS 36 HA LYS 36 14.200 4.374 3.120 57 HB2 LYS 36 HB2 LYS 36 12.886 3.733 0.500 58 HB3 LYS 36 HB1 LYS 36 14.598 3.965 0.811 59 HG2 LYS 36 HG2 LYS 36 12.889 1.679 1.762 60 HG3 LYS 36 HG1 LYS 36 14.124 1.619 0.508 61 HD2 LYS 36 HD2 LYS 36 14.668 2.325 3.388 62 HD3 LYS 36 HD1 LYS 36 14.841 0.702 2.723 63 HE2 LYS 36 HE2 LYS 36 16.534 1.470 1.188 64 HE3 LYS 36 HE1 LYS 36 16.310 3.136 1.726 65 HZ1 LYS 36 HZ1 LYS 36 17.061 2.470 3.934 66 HZ2 LYS 36 HZ2 LYS 36 18.240 2.151 2.767 67 HZ3 LYS 36 HZ3 LYS 36 17.306 0.889 3.394 68 H GLY 37 HN GLY 37 11.129 5.496 2.992 69 HA2 GLY 37 HA2 GLY 37 10.661 7.791 3.265 70 HA3 GLY 37 HA1 GLY 37 12.131 8.173 2.386 71 H HIS 38 HN HIS 38 10.348 5.787 0.778 72 HA HIS 38 HA HIS 38 9.269 7.864 -1.012 73 HB2 HIS 38 HB2 HIS 38 10.048 5.022 -1.709 74 HB3 HIS 38 HB1 HIS 38 9.443 6.231 -2.834 75 HD2 HIS 38 HD2 HIS 38 12.705 5.229 -1.008 76 HE1 HIS 38 HE1 HIS 38 13.574 8.385 -3.686 77 HE2 HIS 38 HE2 HIS 38 14.552 6.501 -2.306 78 H ARG 39 HN ARG 39 7.255 7.461 -2.048 79 HA ARG 39 HA ARG 39 5.554 5.429 -0.739 80 HB2 ARG 39 HB2 ARG 39 4.638 8.101 -1.825 81 HB3 ARG 39 HB1 ARG 39 3.646 6.912 -1.003 82 HG2 ARG 39 HG2 ARG 39 4.905 7.286 1.059 83 HG3 ARG 39 HG1 ARG 39 5.892 8.492 0.229 84 HD2 ARG 39 HD2 ARG 39 3.850 9.798 -0.237 85 HD3 ARG 39 HD1 ARG 39 2.908 8.613 0.664 86 HE ARG 39 HE ARG 39 5.030 9.650 2.240 87 HH11 ARG 39 HH11 ARG 39 1.856 10.437 1.002 88 HH12 ARG 39 HH12 ARG 39 1.483 11.541 2.286 89 HH21 ARG 39 HH21 ARG 39 4.546 11.113 3.942 90 HH22 ARG 39 HH22 ARG 39 3.014 11.923 3.962 91 H PHE 40 HN PHE 40 4.108 4.328 -2.141 92 HA PHE 40 HA PHE 40 4.111 5.071 -4.948 93 HB2 PHE 40 HB2 PHE 40 4.653 2.759 -5.696 94 HB3 PHE 40 HB1 PHE 40 5.999 3.598 -4.942 95 HD1 PHE 40 HD2 PHE 40 6.636 2.997 -2.591 96 HD2 PHE 40 HD1 PHE 40 3.874 0.709 -4.880 97 HE1 PHE 40 HE2 PHE 40 6.996 1.081 -1.097 98 HE2 PHE 40 HE1 PHE 40 4.231 -1.217 -3.391 99 HZ PHE 40 HZ PHE 40 5.793 -1.033 -1.497 100 H GLU 41 HN GLU 41 2.490 4.031 -6.202 101 HA GLU 41 HA GLU 41 0.202 3.226 -4.532 102 HB2 GLU 41 HB2 GLU 41 0.198 4.523 -7.264 103 HB3 GLU 41 HB1 GLU 41 -1.218 4.151 -6.292 104 HG2 GLU 41 HG2 GLU 41 -0.600 5.772 -4.653 105 HG3 GLU 41 HG1 GLU 41 0.951 6.049 -5.445 106 H MET 42 HN MET 42 -0.880 1.378 -5.002 107 HA MET 42 HA MET 42 -0.264 0.002 -7.516 108 HB2 MET 42 HB2 MET 42 -0.131 -1.260 -4.765 109 HB3 MET 42 HB1 MET 42 -0.184 -2.183 -6.263 110 HG2 MET 42 HG2 MET 42 1.894 -0.903 -6.955 111 HG3 MET 42 HG1 MET 42 1.985 -0.351 -5.286 112 HE1 MET 42 HE1 MET 42 2.340 -3.806 -3.397 113 HE2 MET 42 HE2 MET 42 0.838 -2.978 -3.807 114 HE3 MET 42 HE3 MET 42 2.213 -2.059 -3.199 115 HA PRO 43 HA PRO 43 -4.646 -0.600 -7.370 116 HB2 PRO 43 HB2 PRO 43 -4.955 -2.347 -9.385 117 HB3 PRO 43 HB1 PRO 43 -4.468 -0.672 -9.669 118 HG2 PRO 43 HG2 PRO 43 -2.812 -3.154 -9.659 119 HG3 PRO 43 HG1 PRO 43 -2.694 -1.729 -10.705 120 HD2 PRO 43 HD2 PRO 43 -1.092 -2.231 -8.492 121 HD3 PRO 43 HD1 PRO 43 -1.336 -0.641 -9.238 122 H PHE 44 HN PHE 44 -5.683 -1.674 -5.837 123 HA PHE 44 HA PHE 44 -5.431 -4.606 -5.744 124 HB2 PHE 44 HB2 PHE 44 -5.446 -2.629 -3.506 125 HB3 PHE 44 HB1 PHE 44 -6.309 -4.147 -3.258 126 HD1 PHE 44 HD1 PHE 44 -3.015 -2.655 -3.990 127 HD2 PHE 44 HD2 PHE 44 -5.132 -6.165 -2.856 128 HE1 PHE 44 HE1 PHE 44 -0.889 -3.742 -3.397 129 HE2 PHE 44 HE2 PHE 44 -3.011 -7.255 -2.260 130 HZ PHE 44 HZ PHE 44 -0.902 -6.089 -2.550 131 H SER 45 HN SER 45 -7.503 -5.368 -4.366 132 HA SER 45 HA SER 45 -9.822 -4.238 -5.696 133 HB2 SER 45 HB2 SER 45 -9.744 -6.385 -3.599 134 HB3 SER 45 HB1 SER 45 -11.022 -6.094 -4.776 135 HG SER 45 HG SER 45 -8.728 -6.459 -6.087 136 H VAL 46 HN VAL 46 -11.232 -2.878 -4.766 137 HA VAL 46 HA VAL 46 -10.518 -1.663 -2.269 138 HB VAL 46 HB VAL 46 -11.543 -0.581 -4.373 139 HG11 VAL 46 HG11 VAL 46 -14.057 -1.508 -3.007 140 HG12 VAL 46 HG12 VAL 46 -13.489 -1.975 -4.609 141 HG13 VAL 46 HG13 VAL 46 -13.987 -0.312 -4.301 142 HG21 VAL 46 HG21 VAL 46 -12.629 1.184 -3.004 143 HG22 VAL 46 HG22 VAL 46 -11.032 0.710 -2.430 144 HG23 VAL 46 HG23 VAL 46 -12.475 0.124 -1.600 145 H GLU 47 HN GLU 47 -12.376 -4.298 -3.181 146 HA GLU 47 HA GLU 47 -14.010 -4.239 -0.752 147 HB2 GLU 47 HB2 GLU 47 -14.033 -6.117 -3.121 148 HB3 GLU 47 HB1 GLU 47 -15.130 -6.211 -1.752 149 HG2 GLU 47 HG2 GLU 47 -16.106 -4.097 -2.312 150 HG3 GLU 47 HG1 GLU 47 -14.907 -3.831 -3.577 151 H ALA 48 HN ALA 48 -10.986 -4.976 -1.376 152 HA ALA 48 HA ALA 48 -10.946 -7.600 -0.055 153 HB1 ALA 48 HB1 ALA 48 -9.719 -7.563 -2.126 154 HB2 ALA 48 HB2 ALA 48 -8.567 -7.672 -0.797 155 HB3 ALA 48 HB3 ALA 48 -8.814 -6.130 -1.623 156 H GLU 49 HN GLU 49 -9.385 -7.967 1.620 157 HA GLU 49 HA GLU 49 -9.036 -5.778 3.445 158 HB2 GLU 49 HB2 GLU 49 -7.883 -8.578 3.501 159 HB3 GLU 49 HB1 GLU 49 -7.865 -7.438 4.837 160 HG2 GLU 49 HG2 GLU 49 -10.347 -8.577 3.577 161 HG3 GLU 49 HG1 GLU 49 -9.598 -9.168 5.057 162 H ILE 50 HN ILE 50 -7.701 -4.252 2.545 163 HA ILE 50 HA ILE 50 -5.492 -4.752 0.911 164 HB ILE 50 HB ILE 50 -5.796 -2.348 2.715 165 HG12 ILE 50 HG12 ILE 50 -7.870 -2.639 1.482 166 HG13 ILE 50 HG11 ILE 50 -6.968 -1.294 0.795 167 HG21 ILE 50 HG21 ILE 50 -3.618 -2.598 1.607 168 HG22 ILE 50 HG22 ILE 50 -4.502 -1.194 1.011 169 HG23 ILE 50 HG23 ILE 50 -4.429 -2.667 0.044 170 HD11 ILE 50 HD11 ILE 50 -7.154 -4.075 -0.333 171 HD12 ILE 50 HD12 ILE 50 -6.195 -2.762 -1.013 172 HD13 ILE 50 HD13 ILE 50 -7.952 -2.630 -0.953 173 HA PRO 51 HA PRO 51 -2.707 -6.677 3.830 174 HB2 PRO 51 HB2 PRO 51 -0.758 -5.789 1.758 175 HB3 PRO 51 HB1 PRO 51 -0.964 -7.380 2.499 176 HG2 PRO 51 HG2 PRO 51 -1.821 -6.913 0.022 177 HG3 PRO 51 HG1 PRO 51 -2.755 -7.930 1.135 178 HD2 PRO 51 HD2 PRO 51 -3.254 -5.125 0.256 179 HD3 PRO 51 HD1 PRO 51 -4.412 -6.415 0.637 180 HA PRO 52 HA PRO 52 -1.540 -2.918 5.970 181 HB2 PRO 52 HB2 PRO 52 -0.088 -4.805 7.724 182 HB3 PRO 52 HB1 PRO 52 -1.343 -3.631 8.129 183 HG2 PRO 52 HG2 PRO 52 -1.860 -6.251 8.097 184 HG3 PRO 52 HG1 PRO 52 -3.060 -5.068 7.546 185 HD2 PRO 52 HD2 PRO 52 -1.263 -6.837 5.936 186 HD3 PRO 52 HD1 PRO 52 -2.963 -6.403 5.662 187 H GLU 53 HN GLU 53 0.575 -5.173 4.532 188 HA GLU 53 HA GLU 53 2.612 -3.179 4.242 189 HB2 GLU 53 HB2 GLU 53 4.422 -4.699 5.149 190 HB3 GLU 53 HB1 GLU 53 3.379 -3.950 6.350 191 HG2 GLU 53 HG2 GLU 53 2.053 -6.067 6.387 192 HG3 GLU 53 HG1 GLU 53 3.297 -6.789 5.369 193 H TRP 54 HN TRP 54 3.936 -3.556 2.518 194 HA TRP 54 HA TRP 54 3.780 -6.125 1.161 195 HB2 TRP 54 HB2 TRP 54 2.002 -4.509 0.248 196 HB3 TRP 54 HB1 TRP 54 3.349 -3.572 -0.386 197 HD1 TRP 54 HD1 TRP 54 4.693 -4.609 -2.472 198 HE1 TRP 54 HE1 TRP 54 4.071 -6.442 -4.175 199 HE3 TRP 54 HE3 TRP 54 0.760 -6.726 0.015 200 HZ2 TRP 54 HZ2 TRP 54 2.163 -8.502 -4.427 201 HZ3 TRP 54 HZ3 TRP 54 -0.412 -8.620 -1.029 202 HH2 TRP 54 HH2 TRP 54 0.275 -9.489 -3.204 203 H GLU 55 HN GLU 55 5.537 -6.318 -0.466 204 HA GLU 55 HA GLU 55 7.959 -5.194 0.490 205 HB2 GLU 55 HB2 GLU 55 7.875 -7.396 -0.567 206 HB3 GLU 55 HB1 GLU 55 7.380 -6.665 -2.086 207 HG2 GLU 55 HG2 GLU 55 9.521 -5.472 -2.192 208 HG3 GLU 55 HG1 GLU 55 10.015 -6.258 -0.694 209 H CYS 56 HN CYS 56 9.304 -3.652 -0.404 210 HA CYS 56 HA CYS 56 7.974 -1.565 -1.898 211 HB2 CYS 56 HB2 CYS 56 9.288 -0.744 -0.128 212 HB3 CYS 56 HB1 CYS 56 10.628 -1.817 -0.506 213 H LYS 57 HN LYS 57 7.811 -1.882 -4.020 214 HA LYS 57 HA LYS 57 9.840 -3.164 -5.593 215 HB2 LYS 57 HB2 LYS 57 7.272 -1.750 -6.237 216 HB3 LYS 57 HB1 LYS 57 8.402 -2.158 -7.515 217 HG2 LYS 57 HG2 LYS 57 6.717 -3.845 -7.396 218 HG3 LYS 57 HG1 LYS 57 8.241 -4.535 -6.845 219 HD2 LYS 57 HD2 LYS 57 6.626 -3.383 -4.699 220 HD3 LYS 57 HD1 LYS 57 5.838 -4.716 -5.540 221 HE2 LYS 57 HE2 LYS 57 8.644 -4.857 -4.458 222 HE3 LYS 57 HE1 LYS 57 7.226 -5.355 -3.543 223 HZ1 LYS 57 HZ1 LYS 57 8.076 -6.509 -6.146 224 HZ2 LYS 57 HZ2 LYS 57 6.740 -7.002 -5.234 225 HZ3 LYS 57 HZ3 LYS 57 8.309 -7.228 -4.629 226 H VAL 58 HN VAL 58 9.806 -0.195 -4.176 227 HA VAL 58 HA VAL 58 10.639 1.350 -6.485 228 HB VAL 58 HB VAL 58 10.334 2.152 -3.588 229 HG11 VAL 58 HG11 VAL 58 12.006 3.538 -4.722 230 HG12 VAL 58 HG12 VAL 58 10.541 4.454 -4.366 231 HG13 VAL 58 HG13 VAL 58 10.846 3.882 -6.006 232 HG21 VAL 58 HG21 VAL 58 8.223 1.602 -4.655 233 HG22 VAL 58 HG22 VAL 58 8.606 2.670 -6.003 234 HG23 VAL 58 HG23 VAL 58 8.342 3.342 -4.395 235 H CYS 59 HN CYS 59 12.071 0.674 -3.267 236 HA CYS 59 HA CYS 59 14.660 1.385 -4.471 237 HB2 CYS 59 HB2 CYS 59 13.978 2.851 -2.652 238 HB3 CYS 59 HB1 CYS 59 13.789 1.469 -1.580 239 H GLY 60 HN GLY 60 13.151 -0.952 -2.259 240 HA2 GLY 60 HA2 GLY 60 13.973 -3.295 -2.838 241 HA3 GLY 60 HA1 GLY 60 15.571 -2.616 -2.553 242 H ALA 61 HN ALA 61 12.440 -2.524 -0.880 243 HA ALA 61 HA ALA 61 13.580 -3.769 1.465 244 HB1 ALA 61 HB1 ALA 61 13.062 -1.916 2.974 245 HB2 ALA 61 HB2 ALA 61 12.546 -0.933 1.606 246 HB3 ALA 61 HB3 ALA 61 14.237 -1.411 1.758 247 H GLN 62 HN GLN 62 11.571 -3.213 3.282 248 HA GLN 62 HA GLN 62 9.154 -4.072 1.868 249 HB2 GLN 62 HB2 GLN 62 9.924 -5.393 3.858 250 HB3 GLN 62 HB1 GLN 62 9.613 -3.978 4.854 251 HG2 GLN 62 HG2 GLN 62 7.258 -4.034 4.201 252 HG3 GLN 62 HG1 GLN 62 7.570 -5.455 3.210 253 HE21 GLN 62 HE21 GLN 62 6.106 -6.687 4.351 254 HE22 GLN 62 HE22 GLN 62 6.409 -7.243 5.961 255 H ALA 63 HN ALA 63 7.174 -2.972 2.170 256 HA ALA 63 HA ALA 63 7.459 -0.230 3.189 257 HB1 ALA 63 HB1 ALA 63 5.882 -1.104 0.776 258 HB2 ALA 63 HB2 ALA 63 7.418 -0.243 0.742 259 HB3 ALA 63 HB3 ALA 63 5.986 0.539 1.408 260 H LEU 64 HN LEU 64 5.671 0.666 4.204 261 HA LEU 64 HA LEU 64 3.766 -1.336 5.174 262 HB2 LEU 64 HB2 LEU 64 4.468 1.393 6.260 263 HB3 LEU 64 HB1 LEU 64 3.311 0.289 6.980 264 HG LEU 64 HG LEU 64 6.275 -0.218 6.681 265 HD11 LEU 64 HD11 LEU 64 4.598 0.399 9.108 266 HD12 LEU 64 HD12 LEU 64 5.799 1.456 8.370 267 HD13 LEU 64 HD13 LEU 64 6.302 -0.054 9.127 268 HD21 LEU 64 HD21 LEU 64 4.106 -1.876 7.962 269 HD22 LEU 64 HD22 LEU 64 5.834 -2.196 8.084 270 HD23 LEU 64 HD23 LEU 64 5.028 -2.292 6.518 271 H LEU 65 HN LEU 65 1.617 -1.108 4.957 272 HA LEU 65 HA LEU 65 0.685 0.596 2.848 273 HB2 LEU 65 HB2 LEU 65 -0.083 -1.749 3.233 274 HB3 LEU 65 HB1 LEU 65 -0.848 -1.215 4.717 275 HG LEU 65 HG LEU 65 -2.363 -1.555 2.724 276 HD11 LEU 65 HD11 LEU 65 -3.692 0.481 3.169 277 HD12 LEU 65 HD12 LEU 65 -2.345 1.105 4.120 278 HD13 LEU 65 HD13 LEU 65 -3.175 -0.366 4.625 279 HD21 LEU 65 HD21 LEU 65 -1.100 1.021 1.824 280 HD22 LEU 65 HD22 LEU 65 -2.512 0.249 1.102 281 HD23 LEU 65 HD23 LEU 65 -0.938 -0.545 1.032 282 H VAL 66 HN VAL 66 -0.118 2.591 3.073 283 HA VAL 66 HA VAL 66 -0.545 3.536 5.811 284 HB VAL 66 HB VAL 66 -0.314 5.835 4.839 285 HG11 VAL 66 HG11 VAL 66 1.565 4.692 5.910 286 HG12 VAL 66 HG12 VAL 66 2.114 5.703 4.573 287 HG13 VAL 66 HG13 VAL 66 2.003 3.955 4.368 288 HG21 VAL 66 HG21 VAL 66 0.656 6.083 2.619 289 HG22 VAL 66 HG22 VAL 66 -0.921 5.300 2.522 290 HG23 VAL 66 HG23 VAL 66 0.550 4.343 2.363 291 H ASP 67 HN ASP 67 -2.546 3.450 6.452 292 HA ASP 67 HA ASP 67 -4.766 3.829 6.655 293 HB2 ASP 67 HB2 ASP 67 -4.303 5.728 4.355 294 HB3 ASP 67 HB1 ASP 67 -5.821 5.594 5.234 295 H GLY 68 HN GLY 68 -5.109 1.614 6.040 296 HA2 GLY 68 HA2 GLY 68 -6.724 1.466 3.588 297 HA3 GLY 68 HA1 GLY 68 -5.466 0.268 3.844 298 H ASP 69 HN ASP 69 -5.915 -1.495 5.000 299 HA ASP 69 HA ASP 69 -7.063 -3.053 6.183 300 HB2 ASP 69 HB2 ASP 69 -8.183 -0.576 7.485 301 HB3 ASP 69 HB1 ASP 69 -8.695 -2.190 7.963 302 H GLY 70 HN GLY 70 -8.091 -1.942 3.630 303 HA2 GLY 70 HA2 GLY 70 -10.095 -3.472 2.922 304 HA3 GLY 70 HA1 GLY 70 -10.974 -2.340 3.938 305 HA PRO 71 HA PRO 71 -11.211 0.478 0.544 306 HB2 PRO 71 HB2 PRO 71 -10.757 2.909 1.599 307 HB3 PRO 71 HB1 PRO 71 -12.202 1.973 1.997 308 HG2 PRO 71 HG2 PRO 71 -9.675 2.313 3.561 309 HG3 PRO 71 HG1 PRO 71 -11.354 2.332 4.131 310 HD2 PRO 71 HD2 PRO 71 -9.716 0.158 4.338 311 HD3 PRO 71 HD1 PRO 71 -11.478 0.044 4.204 312 H GLU 72 HN GLU 72 -10.030 1.450 -1.045 313 HA GLU 72 HA GLU 72 -7.143 1.208 -0.837 314 HB2 GLU 72 HB2 GLU 72 -8.919 1.941 -3.172 315 HB3 GLU 72 HB1 GLU 72 -7.180 1.735 -3.264 316 HG2 GLU 72 HG2 GLU 72 -7.454 -0.619 -2.625 317 HG3 GLU 72 HG1 GLU 72 -9.203 -0.384 -2.617 318 H GLU 73 HN GLU 73 -9.506 3.682 -1.785 319 HA GLU 73 HA GLU 73 -7.330 5.660 -1.684 320 HB2 GLU 73 HB2 GLU 73 -8.231 4.976 -3.943 321 HB3 GLU 73 HB1 GLU 73 -9.753 5.720 -3.487 322 HG2 GLU 73 HG2 GLU 73 -8.677 7.878 -3.311 323 HG3 GLU 73 HG1 GLU 73 -7.110 7.147 -3.662 324 H LYS 74 HN LYS 74 -9.538 4.762 0.254 325 HA LYS 74 HA LYS 74 -11.055 7.175 0.678 326 HB2 LYS 74 HB2 LYS 74 -11.966 5.001 1.352 327 HB3 LYS 74 HB1 LYS 74 -10.619 4.767 2.456 328 HG2 LYS 74 HG2 LYS 74 -11.372 6.788 3.699 329 HG3 LYS 74 HG1 LYS 74 -12.798 6.829 2.660 330 HD2 LYS 74 HD2 LYS 74 -13.448 4.619 3.429 331 HD3 LYS 74 HD1 LYS 74 -11.995 4.517 4.422 332 HE2 LYS 74 HE2 LYS 74 -12.766 6.466 5.710 333 HE3 LYS 74 HE1 LYS 74 -14.235 6.509 4.740 334 HZ1 LYS 74 HZ1 LYS 74 -14.590 5.384 6.847 335 HZ2 LYS 74 HZ2 LYS 74 -13.384 4.259 6.477 336 HZ3 LYS 74 HZ3 LYS 74 -14.799 4.311 5.556 337 H LYS 75 HN LYS 75 -8.304 5.557 2.163 338 HA LYS 75 HA LYS 75 -6.668 6.200 3.563 339 HB2 LYS 75 HB2 LYS 75 -6.186 7.764 1.712 340 HB3 LYS 75 HB1 LYS 75 -7.218 8.965 2.480 341 HG2 LYS 75 HG2 LYS 75 -5.752 9.108 4.366 342 HG3 LYS 75 HG1 LYS 75 -4.776 7.769 3.764 343 HD2 LYS 75 HD2 LYS 75 -4.179 9.121 1.799 344 HD3 LYS 75 HD1 LYS 75 -5.110 10.467 2.461 345 HE2 LYS 75 HE2 LYS 75 -2.692 10.664 2.910 346 HE3 LYS 75 HE1 LYS 75 -3.658 10.581 4.382 347 HZ1 LYS 75 HZ1 LYS 75 -3.048 8.300 4.679 348 HZ2 LYS 75 HZ2 LYS 75 -1.631 9.195 4.429 349 HZ3 LYS 75 HZ3 LYS 75 -2.264 8.258 3.177 Start of MODEL 7 1 H1 GLN 28 HT1 GLN 28 -9.186 6.003 -5.115 2 H2 GLN 28 HT2 GLN 28 -10.794 5.995 -5.652 3 H3 GLN 28 HT3 GLN 28 -9.537 5.725 -6.749 4 HA GLN 28 HA GLN 28 -10.263 3.944 -4.493 5 HB2 GLN 28 HB2 GLN 28 -11.875 4.026 -6.435 6 HB3 GLN 28 HB1 GLN 28 -10.566 3.474 -7.467 7 HG2 GLN 28 HG2 GLN 28 -10.398 1.418 -6.202 8 HG3 GLN 28 HG1 GLN 28 -11.650 1.976 -5.096 9 HE21 GLN 28 HE21 GLN 28 -11.806 2.577 -8.529 10 HE22 GLN 28 HE22 GLN 28 -13.115 1.493 -8.849 11 H ALA 29 HN ALA 29 -7.853 4.453 -4.114 12 HA ALA 29 HA ALA 29 -6.287 2.392 -5.475 13 HB1 ALA 29 HB1 ALA 29 -4.384 3.945 -5.707 14 HB2 ALA 29 HB2 ALA 29 -5.425 5.260 -5.157 15 HB3 ALA 29 HB3 ALA 29 -5.779 4.432 -6.672 16 H VAL 30 HN VAL 30 -4.397 1.722 -4.276 17 HA VAL 30 HA VAL 30 -4.599 2.298 -1.398 18 HB VAL 30 HB VAL 30 -3.370 0.286 -0.971 19 HG11 VAL 30 HG11 VAL 30 -5.432 -0.230 -3.104 20 HG12 VAL 30 HG12 VAL 30 -5.727 -0.056 -1.374 21 HG13 VAL 30 HG13 VAL 30 -4.805 -1.433 -1.977 22 HG21 VAL 30 HG21 VAL 30 -2.470 -1.141 -2.709 23 HG22 VAL 30 HG22 VAL 30 -1.761 0.471 -2.798 24 HG23 VAL 30 HG23 VAL 30 -3.013 -0.006 -3.945 25 H GLU 31 HN GLU 31 -2.566 2.598 -0.203 26 HA GLU 31 HA GLU 31 -0.432 3.737 -1.871 27 HB2 GLU 31 HB2 GLU 31 -1.672 4.985 0.581 28 HB3 GLU 31 HB1 GLU 31 -0.223 5.585 -0.215 29 HG2 GLU 31 HG2 GLU 31 -1.551 5.940 -2.268 30 HG3 GLU 31 HG1 GLU 31 -2.992 5.442 -1.383 31 H TYR 32 HN TYR 32 1.532 3.015 -1.351 32 HA TYR 32 HA TYR 32 1.941 1.922 1.360 33 HB2 TYR 32 HB2 TYR 32 3.091 0.997 -1.275 34 HB3 TYR 32 HB1 TYR 32 3.732 0.490 0.282 35 HD1 TYR 32 HD1 TYR 32 2.415 -0.984 1.747 36 HD2 TYR 32 HD2 TYR 32 1.022 0.129 -2.115 37 HE1 TYR 32 HE1 TYR 32 0.757 -2.798 1.830 38 HE2 TYR 32 HE2 TYR 32 -0.636 -1.683 -2.046 39 HH TYR 32 HH TYR 32 -1.046 -3.760 -0.947 40 H ALA 33 HN ALA 33 3.806 2.469 2.435 41 HA ALA 33 HA ALA 33 5.640 4.326 1.070 42 HB1 ALA 33 HB1 ALA 33 5.832 5.634 3.102 43 HB2 ALA 33 HB2 ALA 33 4.702 4.558 3.927 44 HB3 ALA 33 HB3 ALA 33 4.147 5.561 2.586 45 H CYS 34 HN CYS 34 7.727 3.772 1.200 46 HA CYS 34 HA CYS 34 8.382 1.368 2.704 47 HB2 CYS 34 HB2 CYS 34 10.426 1.340 1.375 48 HB3 CYS 34 HB1 CYS 34 9.023 1.537 0.328 49 H GLU 35 HN GLU 35 10.573 1.276 3.730 50 HA GLU 35 HA GLU 35 10.835 3.318 5.695 51 HB2 GLU 35 HB2 GLU 35 12.792 2.015 6.456 52 HB3 GLU 35 HB1 GLU 35 11.362 1.016 6.244 53 HG2 GLU 35 HG2 GLU 35 12.210 0.215 4.116 54 HG3 GLU 35 HG1 GLU 35 13.625 1.254 4.272 55 H LYS 36 HN LYS 36 11.819 3.190 2.531 56 HA LYS 36 HA LYS 36 14.304 4.632 2.847 57 HB2 LYS 36 HB2 LYS 36 12.680 3.893 0.423 58 HB3 LYS 36 HB1 LYS 36 14.201 4.759 0.343 59 HG2 LYS 36 HG2 LYS 36 13.833 2.006 1.489 60 HG3 LYS 36 HG1 LYS 36 14.461 2.378 -0.118 61 HD2 LYS 36 HD2 LYS 36 16.227 3.770 1.060 62 HD3 LYS 36 HD1 LYS 36 15.694 2.992 2.554 63 HE2 LYS 36 HE2 LYS 36 16.150 0.800 1.544 64 HE3 LYS 36 HE1 LYS 36 16.728 1.610 0.089 65 HZ1 LYS 36 HZ1 LYS 36 18.461 2.659 1.424 66 HZ2 LYS 36 HZ2 LYS 36 18.567 0.976 1.496 67 HZ3 LYS 36 HZ3 LYS 36 17.922 1.834 2.800 68 H GLY 37 HN GLY 37 11.008 5.329 2.784 69 HA2 GLY 37 HA2 GLY 37 10.178 7.469 3.355 70 HA3 GLY 37 HA1 GLY 37 11.620 8.189 2.658 71 H HIS 38 HN HIS 38 10.254 5.754 0.707 72 HA HIS 38 HA HIS 38 9.100 7.846 -1.005 73 HB2 HIS 38 HB2 HIS 38 10.992 6.345 -1.872 74 HB3 HIS 38 HB1 HIS 38 9.803 5.044 -1.880 75 HD2 HIS 38 HD2 HIS 38 7.954 5.098 -3.908 76 HE1 HIS 38 HE1 HIS 38 9.477 8.558 -5.797 77 HE2 HIS 38 HE2 HIS 38 8.004 6.518 -6.074 78 H ARG 39 HN ARG 39 7.050 7.610 -1.879 79 HA ARG 39 HA ARG 39 5.403 5.457 -0.716 80 HB2 ARG 39 HB2 ARG 39 4.506 8.256 -1.406 81 HB3 ARG 39 HB1 ARG 39 3.519 6.996 -0.689 82 HG2 ARG 39 HG2 ARG 39 4.817 7.053 1.333 83 HG3 ARG 39 HG1 ARG 39 5.942 8.209 0.619 84 HD2 ARG 39 HD2 ARG 39 4.162 9.856 0.446 85 HD3 ARG 39 HD1 ARG 39 3.006 8.698 1.099 86 HE ARG 39 HE ARG 39 4.656 8.749 3.109 87 HH11 ARG 39 HH11 ARG 39 3.655 11.463 1.136 88 HH12 ARG 39 HH12 ARG 39 3.877 12.628 2.402 89 HH21 ARG 39 HH21 ARG 39 4.927 10.271 4.780 90 HH22 ARG 39 HH22 ARG 39 4.612 11.950 4.473 91 H PHE 40 HN PHE 40 3.909 4.489 -2.072 92 HA PHE 40 HA PHE 40 3.736 5.347 -4.836 93 HB2 PHE 40 HB2 PHE 40 4.467 3.157 -5.733 94 HB3 PHE 40 HB1 PHE 40 5.764 4.031 -4.928 95 HD1 PHE 40 HD2 PHE 40 6.308 3.361 -2.519 96 HD2 PHE 40 HD1 PHE 40 3.970 0.964 -5.145 97 HE1 PHE 40 HE2 PHE 40 6.752 1.394 -1.112 98 HE2 PHE 40 HE1 PHE 40 4.405 -1.006 -3.739 99 HZ PHE 40 HZ PHE 40 5.859 -0.820 -1.777 100 H GLU 41 HN GLU 41 2.123 4.263 -6.049 101 HA GLU 41 HA GLU 41 0.076 3.001 -4.349 102 HB2 GLU 41 HB2 GLU 41 -0.296 4.528 -6.935 103 HB3 GLU 41 HB1 GLU 41 -1.576 3.892 -5.910 104 HG2 GLU 41 HG2 GLU 41 -0.959 5.416 -4.138 105 HG3 GLU 41 HG1 GLU 41 0.399 6.011 -5.092 106 H MET 42 HN MET 42 -0.941 1.145 -5.073 107 HA MET 42 HA MET 42 -0.021 -0.019 -7.599 108 HB2 MET 42 HB2 MET 42 0.091 -1.368 -4.893 109 HB3 MET 42 HB1 MET 42 0.194 -2.246 -6.414 110 HG2 MET 42 HG2 MET 42 2.169 -0.801 -6.992 111 HG3 MET 42 HG1 MET 42 2.122 -0.210 -5.332 112 HE1 MET 42 HE1 MET 42 2.343 -1.833 -3.215 113 HE2 MET 42 HE2 MET 42 2.741 -3.547 -3.330 114 HE3 MET 42 HE3 MET 42 1.164 -2.970 -3.865 115 HA PRO 43 HA PRO 43 -4.261 -0.918 -8.098 116 HB2 PRO 43 HB2 PRO 43 -4.207 -3.080 -9.739 117 HB3 PRO 43 HB1 PRO 43 -3.773 -1.454 -10.277 118 HG2 PRO 43 HG2 PRO 43 -1.994 -3.723 -9.478 119 HG3 PRO 43 HG1 PRO 43 -1.819 -2.584 -10.825 120 HD2 PRO 43 HD2 PRO 43 -0.445 -2.345 -8.491 121 HD3 PRO 43 HD1 PRO 43 -0.907 -0.952 -9.488 122 H PHE 44 HN PHE 44 -5.580 -1.694 -6.637 123 HA PHE 44 HA PHE 44 -5.538 -4.536 -5.968 124 HB2 PHE 44 HB2 PHE 44 -5.310 -2.272 -4.008 125 HB3 PHE 44 HB1 PHE 44 -6.151 -3.748 -3.544 126 HD1 PHE 44 HD2 PHE 44 -4.942 -5.851 -3.338 127 HD2 PHE 44 HD1 PHE 44 -2.927 -2.221 -4.258 128 HE1 PHE 44 HE2 PHE 44 -2.798 -6.896 -2.741 129 HE2 PHE 44 HE1 PHE 44 -0.780 -3.260 -3.665 130 HZ PHE 44 HZ PHE 44 -0.711 -5.600 -2.904 131 H SER 45 HN SER 45 -7.592 -4.808 -4.371 132 HA SER 45 HA SER 45 -9.822 -3.567 -5.814 133 HB2 SER 45 HB2 SER 45 -9.696 -6.062 -5.768 134 HB3 SER 45 HB1 SER 45 -9.836 -5.983 -4.013 135 HG SER 45 HG SER 45 -11.778 -5.886 -5.870 136 H VAL 46 HN VAL 46 -11.431 -2.527 -4.747 137 HA VAL 46 HA VAL 46 -10.846 -1.423 -2.171 138 HB VAL 46 HB VAL 46 -12.042 -0.307 -4.151 139 HG11 VAL 46 HG11 VAL 46 -14.382 -1.789 -2.972 140 HG12 VAL 46 HG12 VAL 46 -13.710 -1.986 -4.591 141 HG13 VAL 46 HG13 VAL 46 -14.494 -0.472 -4.140 142 HG21 VAL 46 HG21 VAL 46 -13.108 -0.065 -1.346 143 HG22 VAL 46 HG22 VAL 46 -13.459 1.079 -2.640 144 HG23 VAL 46 HG23 VAL 46 -11.800 0.862 -2.086 145 H GLU 47 HN GLU 47 -12.158 -4.262 -3.223 146 HA GLU 47 HA GLU 47 -13.785 -4.646 -0.804 147 HB2 GLU 47 HB2 GLU 47 -13.761 -6.218 -3.388 148 HB3 GLU 47 HB1 GLU 47 -14.807 -6.528 -2.009 149 HG2 GLU 47 HG2 GLU 47 -15.891 -4.387 -2.310 150 HG3 GLU 47 HG1 GLU 47 -14.803 -4.003 -3.643 151 H ALA 48 HN ALA 48 -10.814 -4.773 -1.110 152 HA ALA 48 HA ALA 48 -10.408 -7.605 -0.413 153 HB1 ALA 48 HB1 ALA 48 -8.107 -7.367 -1.292 154 HB2 ALA 48 HB2 ALA 48 -8.515 -5.743 -1.852 155 HB3 ALA 48 HB3 ALA 48 -9.340 -7.146 -2.530 156 H GLU 49 HN GLU 49 -9.132 -8.049 1.336 157 HA GLU 49 HA GLU 49 -8.749 -5.988 3.285 158 HB2 GLU 49 HB2 GLU 49 -9.263 -8.424 3.774 159 HB3 GLU 49 HB1 GLU 49 -7.611 -8.791 3.297 160 HG2 GLU 49 HG2 GLU 49 -7.714 -8.673 5.677 161 HG3 GLU 49 HG1 GLU 49 -6.809 -7.279 5.086 162 H ILE 50 HN ILE 50 -7.396 -4.517 2.197 163 HA ILE 50 HA ILE 50 -5.031 -5.140 0.851 164 HB ILE 50 HB ILE 50 -5.614 -2.569 2.339 165 HG12 ILE 50 HG12 ILE 50 -7.476 -3.056 0.877 166 HG13 ILE 50 HG11 ILE 50 -6.508 -1.780 0.148 167 HG21 ILE 50 HG21 ILE 50 -3.859 -3.089 -0.060 168 HG22 ILE 50 HG22 ILE 50 -3.287 -2.814 1.584 169 HG23 ILE 50 HG23 ILE 50 -4.130 -1.528 0.718 170 HD11 ILE 50 HD11 ILE 50 -7.219 -3.355 -1.530 171 HD12 ILE 50 HD12 ILE 50 -6.507 -4.688 -0.623 172 HD13 ILE 50 HD13 ILE 50 -5.469 -3.449 -1.327 173 HA PRO 51 HA PRO 51 -2.563 -6.661 4.249 174 HB2 PRO 51 HB2 PRO 51 -0.414 -6.063 2.272 175 HB3 PRO 51 HB1 PRO 51 -0.717 -7.543 3.192 176 HG2 PRO 51 HG2 PRO 51 -1.330 -7.418 0.615 177 HG3 PRO 51 HG1 PRO 51 -2.401 -8.244 1.758 178 HD2 PRO 51 HD2 PRO 51 -2.698 -5.561 0.480 179 HD3 PRO 51 HD1 PRO 51 -3.935 -6.777 0.858 180 HA PRO 52 HA PRO 52 -1.428 -2.730 6.045 181 HB2 PRO 52 HB2 PRO 52 0.008 -4.447 7.983 182 HB3 PRO 52 HB1 PRO 52 -1.241 -3.230 8.265 183 HG2 PRO 52 HG2 PRO 52 -1.784 -5.833 8.478 184 HG3 PRO 52 HG1 PRO 52 -2.966 -4.699 7.799 185 HD2 PRO 52 HD2 PRO 52 -1.168 -6.636 6.390 186 HD3 PRO 52 HD1 PRO 52 -2.858 -6.208 6.051 187 H GLU 53 HN GLU 53 0.702 -5.099 4.831 188 HA GLU 53 HA GLU 53 2.765 -3.129 4.431 189 HB2 GLU 53 HB2 GLU 53 4.518 -4.759 5.383 190 HB3 GLU 53 HB1 GLU 53 3.587 -3.791 6.517 191 HG2 GLU 53 HG2 GLU 53 2.076 -5.729 6.846 192 HG3 GLU 53 HG1 GLU 53 3.149 -6.684 5.826 193 H TRP 54 HN TRP 54 3.945 -3.523 2.632 194 HA TRP 54 HA TRP 54 3.676 -6.126 1.320 195 HB2 TRP 54 HB2 TRP 54 1.941 -4.464 0.469 196 HB3 TRP 54 HB1 TRP 54 3.288 -3.523 -0.161 197 HD1 TRP 54 HD1 TRP 54 4.627 -4.557 -2.267 198 HE1 TRP 54 HE1 TRP 54 3.924 -6.281 -4.043 199 HE3 TRP 54 HE3 TRP 54 0.571 -6.571 0.108 200 HZ2 TRP 54 HZ2 TRP 54 1.926 -8.227 -4.392 201 HZ3 TRP 54 HZ3 TRP 54 -0.682 -8.362 -1.024 202 HH2 TRP 54 HH2 TRP 54 -0.017 -9.170 -3.228 203 H GLU 55 HN GLU 55 5.368 -6.428 -0.368 204 HA GLU 55 HA GLU 55 7.884 -5.415 0.478 205 HB2 GLU 55 HB2 GLU 55 7.597 -7.635 -0.567 206 HB3 GLU 55 HB1 GLU 55 7.174 -6.857 -2.084 207 HG2 GLU 55 HG2 GLU 55 9.404 -5.837 -2.166 208 HG3 GLU 55 HG1 GLU 55 9.825 -6.669 -0.670 209 H CYS 56 HN CYS 56 9.220 -3.889 -0.424 210 HA CYS 56 HA CYS 56 7.893 -1.804 -1.924 211 HB2 CYS 56 HB2 CYS 56 9.220 -0.982 -0.159 212 HB3 CYS 56 HB1 CYS 56 10.563 -2.043 -0.556 213 H LYS 57 HN LYS 57 7.727 -2.089 -4.035 214 HA LYS 57 HA LYS 57 9.713 -3.400 -5.628 215 HB2 LYS 57 HB2 LYS 57 7.148 -1.975 -6.172 216 HB3 LYS 57 HB1 LYS 57 8.269 -2.218 -7.500 217 HG2 LYS 57 HG2 LYS 57 6.683 -3.979 -7.549 218 HG3 LYS 57 HG1 LYS 57 8.217 -4.656 -7.015 219 HD2 LYS 57 HD2 LYS 57 6.380 -3.737 -4.892 220 HD3 LYS 57 HD1 LYS 57 5.868 -5.153 -5.810 221 HE2 LYS 57 HE2 LYS 57 8.510 -4.840 -4.386 222 HE3 LYS 57 HE1 LYS 57 7.130 -5.762 -3.797 223 HZ1 LYS 57 HZ1 LYS 57 7.314 -7.165 -5.796 224 HZ2 LYS 57 HZ2 LYS 57 8.697 -7.236 -4.816 225 HZ3 LYS 57 HZ3 LYS 57 8.714 -6.324 -6.245 226 H VAL 58 HN VAL 58 9.522 -0.308 -4.307 227 HA VAL 58 HA VAL 58 10.459 1.158 -6.594 228 HB VAL 58 HB VAL 58 10.260 2.022 -3.708 229 HG11 VAL 58 HG11 VAL 58 11.846 3.391 -4.946 230 HG12 VAL 58 HG12 VAL 58 10.377 4.306 -4.606 231 HG13 VAL 58 HG13 VAL 58 10.653 3.649 -6.218 232 HG21 VAL 58 HG21 VAL 58 8.204 3.129 -4.376 233 HG22 VAL 58 HG22 VAL 58 8.102 1.396 -4.691 234 HG23 VAL 58 HG23 VAL 58 8.389 2.519 -6.021 235 H CYS 59 HN CYS 59 11.916 0.493 -3.383 236 HA CYS 59 HA CYS 59 14.493 1.167 -4.635 237 HB2 CYS 59 HB2 CYS 59 13.761 2.723 -2.882 238 HB3 CYS 59 HB1 CYS 59 13.688 1.396 -1.730 239 H GLY 60 HN GLY 60 12.998 -1.024 -2.261 240 HA2 GLY 60 HA2 GLY 60 13.718 -3.412 -2.829 241 HA3 GLY 60 HA1 GLY 60 15.342 -2.786 -2.586 242 H ALA 61 HN ALA 61 12.248 -2.592 -0.842 243 HA ALA 61 HA ALA 61 13.459 -3.783 1.509 244 HB1 ALA 61 HB1 ALA 61 12.930 -1.884 2.965 245 HB2 ALA 61 HB2 ALA 61 12.397 -0.955 1.564 246 HB3 ALA 61 HB3 ALA 61 14.089 -1.422 1.719 247 H GLN 62 HN GLN 62 11.505 -3.122 3.356 248 HA GLN 62 HA GLN 62 9.051 -4.130 2.121 249 HB2 GLN 62 HB2 GLN 62 9.879 -5.250 4.179 250 HB3 GLN 62 HB1 GLN 62 9.691 -3.735 5.052 251 HG2 GLN 62 HG2 GLN 62 7.287 -3.774 4.571 252 HG3 GLN 62 HG1 GLN 62 7.488 -5.318 3.748 253 HE21 GLN 62 HE21 GLN 62 6.166 -6.432 5.117 254 HE22 GLN 62 HE22 GLN 62 6.569 -6.763 6.766 255 H ALA 63 HN ALA 63 7.144 -2.977 2.152 256 HA ALA 63 HA ALA 63 7.378 -0.163 2.983 257 HB1 ALA 63 HB1 ALA 63 5.845 0.408 1.179 258 HB2 ALA 63 HB2 ALA 63 5.757 -1.288 0.705 259 HB3 ALA 63 HB3 ALA 63 7.277 -0.406 0.549 260 H LEU 64 HN LEU 64 5.766 0.709 4.171 261 HA LEU 64 HA LEU 64 3.823 -1.176 5.264 262 HB2 LEU 64 HB2 LEU 64 4.639 1.602 6.120 263 HB3 LEU 64 HB1 LEU 64 3.392 0.659 6.914 264 HG LEU 64 HG LEU 64 6.305 -0.112 6.711 265 HD11 LEU 64 HD11 LEU 64 6.378 0.342 9.098 266 HD12 LEU 64 HD12 LEU 64 4.693 0.861 9.064 267 HD13 LEU 64 HD13 LEU 64 5.920 1.789 8.201 268 HD21 LEU 64 HD21 LEU 64 4.920 -2.079 6.763 269 HD22 LEU 64 HD22 LEU 64 3.972 -1.426 8.097 270 HD23 LEU 64 HD23 LEU 64 5.661 -1.861 8.347 271 H LEU 65 HN LEU 65 1.726 -1.072 4.892 272 HA LEU 65 HA LEU 65 0.666 0.584 2.842 273 HB2 LEU 65 HB2 LEU 65 -0.119 -1.707 3.374 274 HB3 LEU 65 HB1 LEU 65 -0.717 -1.127 4.914 275 HG LEU 65 HG LEU 65 -2.437 -1.510 3.105 276 HD11 LEU 65 HD11 LEU 65 -2.840 -0.168 5.136 277 HD12 LEU 65 HD12 LEU 65 -3.775 0.365 3.742 278 HD13 LEU 65 HD13 LEU 65 -2.349 1.273 4.243 279 HD21 LEU 65 HD21 LEU 65 -1.185 -0.554 1.247 280 HD22 LEU 65 HD22 LEU 65 -1.268 1.036 2.006 281 HD23 LEU 65 HD23 LEU 65 -2.744 0.244 1.454 282 H VAL 66 HN VAL 66 0.072 2.644 3.036 283 HA VAL 66 HA VAL 66 -0.317 3.684 5.753 284 HB VAL 66 HB VAL 66 0.239 5.932 4.740 285 HG11 VAL 66 HG11 VAL 66 2.348 3.775 4.656 286 HG12 VAL 66 HG12 VAL 66 1.841 4.687 6.079 287 HG13 VAL 66 HG13 VAL 66 2.660 5.509 4.750 288 HG21 VAL 66 HG21 VAL 66 1.197 4.230 2.439 289 HG22 VAL 66 HG22 VAL 66 1.483 5.960 2.643 290 HG23 VAL 66 HG23 VAL 66 -0.157 5.360 2.390 291 H ASP 67 HN ASP 67 -2.260 4.160 6.322 292 HA ASP 67 HA ASP 67 -4.424 4.771 6.347 293 HB2 ASP 67 HB2 ASP 67 -3.379 6.570 4.179 294 HB3 ASP 67 HB1 ASP 67 -5.051 6.645 4.721 295 H GLY 68 HN GLY 68 -4.451 2.421 5.439 296 HA2 GLY 68 HA2 GLY 68 -6.581 2.496 3.428 297 HA3 GLY 68 HA1 GLY 68 -5.241 1.388 3.162 298 H ASP 69 HN ASP 69 -7.427 2.343 5.774 299 HA ASP 69 HA ASP 69 -7.348 -0.148 7.100 300 HB2 ASP 69 HB2 ASP 69 -7.982 1.854 8.292 301 HB3 ASP 69 HB1 ASP 69 -9.335 2.128 7.205 302 H GLY 70 HN GLY 70 -7.658 -1.679 5.480 303 HA2 GLY 70 HA2 GLY 70 -8.974 -3.314 4.536 304 HA3 GLY 70 HA1 GLY 70 -10.406 -2.423 5.033 305 HA PRO 71 HA PRO 71 -11.053 -1.679 0.680 306 HB2 PRO 71 HB2 PRO 71 -12.529 0.645 1.061 307 HB3 PRO 71 HB1 PRO 71 -13.185 -0.987 0.978 308 HG2 PRO 71 HG2 PRO 71 -12.559 0.684 3.365 309 HG3 PRO 71 HG1 PRO 71 -13.886 -0.464 3.111 310 HD2 PRO 71 HD2 PRO 71 -11.771 -1.094 4.623 311 HD3 PRO 71 HD1 PRO 71 -12.550 -2.303 3.580 312 H GLU 72 HN GLU 72 -9.915 -0.578 -0.799 313 HA GLU 72 HA GLU 72 -7.907 1.250 -0.008 314 HB2 GLU 72 HB2 GLU 72 -7.365 1.412 -2.350 315 HB3 GLU 72 HB1 GLU 72 -7.736 -0.262 -1.974 316 HG2 GLU 72 HG2 GLU 72 -10.008 0.092 -2.891 317 HG3 GLU 72 HG1 GLU 72 -9.517 1.710 -3.376 318 H GLU 73 HN GLU 73 -7.699 3.466 -0.540 319 HA GLU 73 HA GLU 73 -8.373 5.627 -0.753 320 HB2 GLU 73 HB2 GLU 73 -9.271 4.655 -2.932 321 HB3 GLU 73 HB1 GLU 73 -10.843 4.591 -2.141 322 HG2 GLU 73 HG2 GLU 73 -10.833 6.569 -3.394 323 HG3 GLU 73 HG1 GLU 73 -10.572 7.069 -1.723 324 H LYS 74 HN LYS 74 -9.506 3.653 1.358 325 HA LYS 74 HA LYS 74 -11.897 5.088 2.188 326 HB2 LYS 74 HB2 LYS 74 -11.919 2.667 2.406 327 HB3 LYS 74 HB1 LYS 74 -10.467 2.712 3.393 328 HG2 LYS 74 HG2 LYS 74 -12.412 2.346 4.775 329 HG3 LYS 74 HG1 LYS 74 -11.698 3.917 5.138 330 HD2 LYS 74 HD2 LYS 74 -14.104 4.123 5.058 331 HD3 LYS 74 HD1 LYS 74 -13.394 4.984 3.691 332 HE2 LYS 74 HE2 LYS 74 -13.898 3.076 2.238 333 HE3 LYS 74 HE1 LYS 74 -14.613 2.225 3.606 334 HZ1 LYS 74 HZ1 LYS 74 -15.577 4.796 2.474 335 HZ2 LYS 74 HZ2 LYS 74 -16.271 3.971 3.776 336 HZ3 LYS 74 HZ3 LYS 74 -16.295 3.281 2.234 337 H LYS 75 HN LYS 75 -8.765 4.224 3.627 338 HA LYS 75 HA LYS 75 -7.433 5.236 5.142 339 HB2 LYS 75 HB2 LYS 75 -7.508 7.147 3.624 340 HB3 LYS 75 HB1 LYS 75 -9.005 7.699 4.358 341 HG2 LYS 75 HG2 LYS 75 -7.901 8.260 6.382 342 HG3 LYS 75 HG1 LYS 75 -6.415 7.464 5.865 343 HD2 LYS 75 HD2 LYS 75 -6.185 9.098 4.047 344 HD3 LYS 75 HD1 LYS 75 -7.661 9.898 4.589 345 HE2 LYS 75 HE2 LYS 75 -5.172 9.565 6.258 346 HE3 LYS 75 HE1 LYS 75 -5.588 11.021 5.354 347 HZ1 LYS 75 HZ1 LYS 75 -6.213 11.171 7.692 348 HZ2 LYS 75 HZ2 LYS 75 -7.230 9.833 7.523 349 HZ3 LYS 75 HZ3 LYS 75 -7.568 11.263 6.685 Start of MODEL 8 1 H1 GLN 28 HT1 GLN 28 -9.604 5.603 -7.451 2 H2 GLN 28 HT2 GLN 28 -8.329 5.061 -8.418 3 H3 GLN 28 HT3 GLN 28 -8.004 5.770 -6.916 4 HA GLN 28 HA GLN 28 -9.080 3.950 -5.778 5 HB2 GLN 28 HB2 GLN 28 -9.401 2.806 -8.561 6 HB3 GLN 28 HB1 GLN 28 -9.738 1.948 -7.064 7 HG2 GLN 28 HG2 GLN 28 -11.465 3.635 -6.539 8 HG3 GLN 28 HG1 GLN 28 -11.169 4.376 -8.110 9 HE21 GLN 28 HE21 GLN 28 -13.232 3.995 -8.844 10 HE22 GLN 28 HE22 GLN 28 -13.803 2.416 -9.256 11 H ALA 29 HN ALA 29 -6.778 4.355 -5.293 12 HA ALA 29 HA ALA 29 -5.228 2.017 -6.113 13 HB1 ALA 29 HB1 ALA 29 -3.218 3.304 -6.455 14 HB2 ALA 29 HB2 ALA 29 -4.058 4.797 -6.039 15 HB3 ALA 29 HB3 ALA 29 -4.486 3.924 -7.511 16 H VAL 30 HN VAL 30 -4.047 1.119 -4.469 17 HA VAL 30 HA VAL 30 -4.368 2.279 -1.822 18 HB VAL 30 HB VAL 30 -3.427 0.248 -0.943 19 HG11 VAL 30 HG11 VAL 30 -4.942 -1.434 -1.826 20 HG12 VAL 30 HG12 VAL 30 -5.216 -0.453 -3.262 21 HG13 VAL 30 HG13 VAL 30 -5.758 0.123 -1.685 22 HG21 VAL 30 HG21 VAL 30 -2.511 -1.515 -2.341 23 HG22 VAL 30 HG22 VAL 30 -1.596 -0.018 -2.527 24 HG23 VAL 30 HG23 VAL 30 -2.743 -0.512 -3.774 25 H GLU 31 HN GLU 31 -2.553 2.844 -0.461 26 HA GLU 31 HA GLU 31 -0.175 3.540 -2.048 27 HB2 GLU 31 HB2 GLU 31 -1.603 5.485 -1.436 28 HB3 GLU 31 HB1 GLU 31 -1.316 5.107 0.258 29 HG2 GLU 31 HG2 GLU 31 1.031 5.546 0.016 30 HG3 GLU 31 HG1 GLU 31 0.854 5.751 -1.725 31 H TYR 32 HN TYR 32 1.710 2.902 -1.338 32 HA TYR 32 HA TYR 32 1.931 1.931 1.436 33 HB2 TYR 32 HB2 TYR 32 3.188 0.869 -1.092 34 HB3 TYR 32 HB1 TYR 32 3.797 0.459 0.506 35 HD1 TYR 32 HD2 TYR 32 0.996 0.071 -1.832 36 HD2 TYR 32 HD1 TYR 32 2.605 -1.076 1.932 37 HE1 TYR 32 HE2 TYR 32 -0.649 -1.747 -1.691 38 HE2 TYR 32 HE1 TYR 32 0.962 -2.896 2.088 39 HH TYR 32 HH TYR 32 -0.983 -3.840 -0.598 40 H ALA 33 HN ALA 33 3.681 2.578 2.612 41 HA ALA 33 HA ALA 33 5.605 4.342 1.255 42 HB1 ALA 33 HB1 ALA 33 5.614 5.834 3.138 43 HB2 ALA 33 HB2 ALA 33 4.487 4.800 4.014 44 HB3 ALA 33 HB3 ALA 33 3.959 5.648 2.560 45 H CYS 34 HN CYS 34 7.516 3.402 1.319 46 HA CYS 34 HA CYS 34 8.154 1.499 3.403 47 HB2 CYS 34 HB2 CYS 34 8.784 0.956 1.110 48 HB3 CYS 34 HB1 CYS 34 9.735 2.425 0.995 49 H GLU 35 HN GLU 35 10.315 1.622 4.428 50 HA GLU 35 HA GLU 35 10.492 3.996 5.965 51 HB2 GLU 35 HB2 GLU 35 12.454 2.876 6.988 52 HB3 GLU 35 HB1 GLU 35 11.033 1.843 6.919 53 HG2 GLU 35 HG2 GLU 35 11.978 0.824 4.842 54 HG3 GLU 35 HG1 GLU 35 13.453 1.742 5.139 55 H LYS 36 HN LYS 36 11.759 3.159 2.952 56 HA LYS 36 HA LYS 36 14.122 4.747 2.980 57 HB2 LYS 36 HB2 LYS 36 12.481 3.388 0.912 58 HB3 LYS 36 HB1 LYS 36 13.563 4.659 0.371 59 HG2 LYS 36 HG2 LYS 36 14.640 2.505 0.184 60 HG3 LYS 36 HG1 LYS 36 15.445 3.473 1.418 61 HD2 LYS 36 HD2 LYS 36 14.079 2.270 3.135 62 HD3 LYS 36 HD1 LYS 36 13.497 1.213 1.848 63 HE2 LYS 36 HE2 LYS 36 15.332 0.154 3.013 64 HE3 LYS 36 HE1 LYS 36 15.818 0.555 1.368 65 HZ1 LYS 36 HZ1 LYS 36 16.506 2.078 3.823 66 HZ2 LYS 36 HZ2 LYS 36 16.917 2.548 2.253 67 HZ3 LYS 36 HZ3 LYS 36 17.559 1.129 2.904 68 H GLY 37 HN GLY 37 10.912 5.586 3.147 69 HA2 GLY 37 HA2 GLY 37 10.089 7.760 3.349 70 HA3 GLY 37 HA1 GLY 37 11.570 8.366 2.621 71 H HIS 38 HN HIS 38 10.332 5.825 0.844 72 HA HIS 38 HA HIS 38 9.210 7.715 -1.099 73 HB2 HIS 38 HB2 HIS 38 10.551 5.034 -1.435 74 HB3 HIS 38 HB1 HIS 38 9.614 5.778 -2.730 75 HD2 HIS 38 HD2 HIS 38 13.096 5.865 -1.202 76 HE1 HIS 38 HE1 HIS 38 12.830 9.107 -3.906 77 HE2 HIS 38 HE2 HIS 38 14.404 7.580 -2.642 78 H ARG 39 HN ARG 39 7.149 7.614 -1.628 79 HA ARG 39 HA ARG 39 5.565 5.330 -0.673 80 HB2 ARG 39 HB2 ARG 39 4.680 8.115 -1.452 81 HB3 ARG 39 HB1 ARG 39 3.610 6.824 -0.929 82 HG2 ARG 39 HG2 ARG 39 4.915 6.772 1.222 83 HG3 ARG 39 HG1 ARG 39 5.695 8.259 0.683 84 HD2 ARG 39 HD2 ARG 39 3.579 9.393 0.585 85 HD3 ARG 39 HD1 ARG 39 2.716 7.898 0.938 86 HE ARG 39 HE ARG 39 4.627 8.886 2.914 87 HH11 ARG 39 HH11 ARG 39 1.288 8.389 1.937 88 HH12 ARG 39 HH12 ARG 39 0.664 8.656 3.540 89 HH21 ARG 39 HH21 ARG 39 3.802 9.214 5.006 90 HH22 ARG 39 HH22 ARG 39 2.093 9.112 5.285 91 H PHE 40 HN PHE 40 3.981 4.435 -2.081 92 HA PHE 40 HA PHE 40 3.940 5.252 -4.847 93 HB2 PHE 40 HB2 PHE 40 4.574 3.008 -5.705 94 HB3 PHE 40 HB1 PHE 40 5.900 3.847 -4.914 95 HD1 PHE 40 HD2 PHE 40 6.490 3.183 -2.546 96 HD2 PHE 40 HD1 PHE 40 3.905 0.879 -5.016 97 HE1 PHE 40 HE2 PHE 40 6.852 1.230 -1.097 98 HE2 PHE 40 HE1 PHE 40 4.255 -1.076 -3.570 99 HZ PHE 40 HZ PHE 40 5.787 -0.926 -1.652 100 H GLU 41 HN GLU 41 2.260 4.292 -6.040 101 HA GLU 41 HA GLU 41 0.176 3.120 -4.342 102 HB2 GLU 41 HB2 GLU 41 -1.372 3.864 -6.175 103 HB3 GLU 41 HB1 GLU 41 -0.565 5.167 -5.315 104 HG2 GLU 41 HG2 GLU 41 0.954 5.510 -7.109 105 HG3 GLU 41 HG1 GLU 41 0.390 4.060 -7.938 106 H MET 42 HN MET 42 -0.786 1.218 -4.874 107 HA MET 42 HA MET 42 0.115 -0.123 -7.326 108 HB2 MET 42 HB2 MET 42 0.083 -1.292 -4.537 109 HB3 MET 42 HB1 MET 42 0.185 -2.275 -5.995 110 HG2 MET 42 HG2 MET 42 2.238 -0.914 -6.595 111 HG3 MET 42 HG1 MET 42 2.180 -0.297 -4.947 112 HE1 MET 42 HE1 MET 42 2.281 -1.910 -2.790 113 HE2 MET 42 HE2 MET 42 2.520 -3.655 -2.900 114 HE3 MET 42 HE3 MET 42 1.020 -2.933 -3.478 115 HA PRO 43 HA PRO 43 -4.157 -1.044 -7.734 116 HB2 PRO 43 HB2 PRO 43 -4.087 -3.060 -9.505 117 HB3 PRO 43 HB1 PRO 43 -3.623 -1.415 -9.946 118 HG2 PRO 43 HG2 PRO 43 -1.894 -3.765 -9.301 119 HG3 PRO 43 HG1 PRO 43 -1.681 -2.526 -10.550 120 HD2 PRO 43 HD2 PRO 43 -0.377 -2.528 -8.122 121 HD3 PRO 43 HD1 PRO 43 -0.663 -1.080 -9.104 122 H PHE 44 HN PHE 44 -5.358 -1.921 -6.229 123 HA PHE 44 HA PHE 44 -5.199 -4.824 -5.799 124 HB2 PHE 44 HB2 PHE 44 -5.288 -2.643 -3.756 125 HB3 PHE 44 HB1 PHE 44 -6.193 -4.119 -3.427 126 HD1 PHE 44 HD1 PHE 44 -2.861 -2.665 -3.864 127 HD2 PHE 44 HD2 PHE 44 -5.074 -6.188 -2.976 128 HE1 PHE 44 HE1 PHE 44 -0.810 -3.741 -3.040 129 HE2 PHE 44 HE2 PHE 44 -3.025 -7.270 -2.151 130 HZ PHE 44 HZ PHE 44 -0.889 -6.046 -2.181 131 H SER 45 HN SER 45 -7.412 -5.367 -4.513 132 HA SER 45 HA SER 45 -9.540 -4.344 -6.195 133 HB2 SER 45 HB2 SER 45 -9.688 -6.292 -3.914 134 HB3 SER 45 HB1 SER 45 -10.897 -6.055 -5.171 135 HG SER 45 HG SER 45 -8.609 -6.564 -6.390 136 H VAL 46 HN VAL 46 -11.185 -3.043 -5.513 137 HA VAL 46 HA VAL 46 -10.512 -1.284 -3.372 138 HB VAL 46 HB VAL 46 -11.601 -0.738 -5.628 139 HG11 VAL 46 HG11 VAL 46 -14.082 -1.441 -4.079 140 HG12 VAL 46 HG12 VAL 46 -13.473 -2.261 -5.515 141 HG13 VAL 46 HG13 VAL 46 -14.044 -0.597 -5.626 142 HG21 VAL 46 HG21 VAL 46 -11.161 0.967 -3.999 143 HG22 VAL 46 HG22 VAL 46 -12.594 0.513 -3.073 144 HG23 VAL 46 HG23 VAL 46 -12.769 1.231 -4.675 145 H GLU 47 HN GLU 47 -12.184 -4.183 -3.425 146 HA GLU 47 HA GLU 47 -13.461 -3.502 -0.861 147 HB2 GLU 47 HB2 GLU 47 -14.441 -5.411 -2.984 148 HB3 GLU 47 HB1 GLU 47 -15.115 -5.320 -1.362 149 HG2 GLU 47 HG2 GLU 47 -15.715 -2.978 -1.756 150 HG3 GLU 47 HG1 GLU 47 -15.072 -3.099 -3.391 151 H ALA 48 HN ALA 48 -10.775 -4.645 -1.646 152 HA ALA 48 HA ALA 48 -10.939 -7.255 -0.304 153 HB1 ALA 48 HB1 ALA 48 -9.781 -7.371 -2.394 154 HB2 ALA 48 HB2 ALA 48 -8.588 -7.533 -1.108 155 HB3 ALA 48 HB3 ALA 48 -8.755 -6.001 -1.968 156 H GLU 49 HN GLU 49 -9.322 -7.750 1.326 157 HA GLU 49 HA GLU 49 -8.868 -5.584 3.160 158 HB2 GLU 49 HB2 GLU 49 -9.386 -7.930 3.874 159 HB3 GLU 49 HB1 GLU 49 -7.818 -8.421 3.253 160 HG2 GLU 49 HG2 GLU 49 -7.551 -8.180 5.570 161 HG3 GLU 49 HG1 GLU 49 -6.801 -6.758 4.848 162 H ILE 50 HN ILE 50 -7.314 -4.146 2.664 163 HA ILE 50 HA ILE 50 -5.110 -4.853 0.963 164 HB ILE 50 HB ILE 50 -5.455 -2.272 2.504 165 HG12 ILE 50 HG12 ILE 50 -7.470 -2.622 1.218 166 HG13 ILE 50 HG11 ILE 50 -6.492 -1.410 0.400 167 HG21 ILE 50 HG21 ILE 50 -3.229 -2.671 1.522 168 HG22 ILE 50 HG22 ILE 50 -4.060 -1.311 0.766 169 HG23 ILE 50 HG23 ILE 50 -3.979 -2.868 -0.063 170 HD11 ILE 50 HD11 ILE 50 -7.434 -2.895 -1.224 171 HD12 ILE 50 HD12 ILE 50 -6.805 -4.302 -0.368 172 HD13 ILE 50 HD13 ILE 50 -5.695 -3.175 -1.147 173 HA PRO 51 HA PRO 51 -2.634 -6.553 4.257 174 HB2 PRO 51 HB2 PRO 51 -0.483 -6.043 2.267 175 HB3 PRO 51 HB1 PRO 51 -0.881 -7.526 3.141 176 HG2 PRO 51 HG2 PRO 51 -1.503 -7.262 0.569 177 HG3 PRO 51 HG1 PRO 51 -2.607 -8.072 1.694 178 HD2 PRO 51 HD2 PRO 51 -2.766 -5.330 0.524 179 HD3 PRO 51 HD1 PRO 51 -4.065 -6.488 0.875 180 HA PRO 52 HA PRO 52 -1.276 -2.715 6.113 181 HB2 PRO 52 HB2 PRO 52 0.028 -4.558 8.030 182 HB3 PRO 52 HB1 PRO 52 -1.128 -3.256 8.327 183 HG2 PRO 52 HG2 PRO 52 -1.871 -5.808 8.498 184 HG3 PRO 52 HG1 PRO 52 -2.957 -4.583 7.815 185 HD2 PRO 52 HD2 PRO 52 -1.283 -6.629 6.410 186 HD3 PRO 52 HD1 PRO 52 -2.936 -6.082 6.056 187 H GLU 53 HN GLU 53 0.746 -5.237 4.975 188 HA GLU 53 HA GLU 53 2.924 -3.349 4.622 189 HB2 GLU 53 HB2 GLU 53 4.569 -5.148 5.379 190 HB3 GLU 53 HB1 GLU 53 3.681 -4.312 6.646 191 HG2 GLU 53 HG2 GLU 53 2.235 -6.156 6.970 192 HG3 GLU 53 HG1 GLU 53 2.828 -6.961 5.520 193 H TRP 54 HN TRP 54 4.092 -3.715 2.776 194 HA TRP 54 HA TRP 54 3.786 -6.238 1.381 195 HB2 TRP 54 HB2 TRP 54 1.920 -4.649 0.647 196 HB3 TRP 54 HB1 TRP 54 3.191 -3.682 -0.092 197 HD1 TRP 54 HD1 TRP 54 4.415 -4.713 -2.263 198 HE1 TRP 54 HE1 TRP 54 3.676 -6.525 -3.936 199 HE3 TRP 54 HE3 TRP 54 0.641 -6.837 0.453 200 HZ2 TRP 54 HZ2 TRP 54 1.747 -8.578 -4.082 201 HZ3 TRP 54 HZ3 TRP 54 -0.603 -8.719 -0.530 202 HH2 TRP 54 HH2 TRP 54 -0.059 -9.569 -2.750 203 H GLU 55 HN GLU 55 5.373 -6.420 -0.412 204 HA GLU 55 HA GLU 55 7.895 -5.346 0.271 205 HB2 GLU 55 HB2 GLU 55 7.602 -7.505 -0.876 206 HB3 GLU 55 HB1 GLU 55 7.006 -6.666 -2.300 207 HG2 GLU 55 HG2 GLU 55 9.170 -5.580 -2.578 208 HG3 GLU 55 HG1 GLU 55 9.770 -6.403 -1.138 209 H CYS 56 HN CYS 56 9.125 -3.743 -0.650 210 HA CYS 56 HA CYS 56 7.670 -1.618 -1.966 211 HB2 CYS 56 HB2 CYS 56 9.139 -0.913 -0.225 212 HB3 CYS 56 HB1 CYS 56 10.477 -1.847 -0.881 213 H LYS 57 HN LYS 57 7.404 -1.694 -4.072 214 HA LYS 57 HA LYS 57 9.211 -3.030 -5.849 215 HB2 LYS 57 HB2 LYS 57 6.697 -1.450 -6.157 216 HB3 LYS 57 HB1 LYS 57 7.713 -1.685 -7.567 217 HG2 LYS 57 HG2 LYS 57 5.990 -3.347 -7.543 218 HG3 LYS 57 HG1 LYS 57 7.541 -4.123 -7.250 219 HD2 LYS 57 HD2 LYS 57 5.957 -3.298 -4.883 220 HD3 LYS 57 HD1 LYS 57 5.368 -4.672 -5.816 221 HE2 LYS 57 HE2 LYS 57 8.137 -4.406 -4.644 222 HE3 LYS 57 HE1 LYS 57 6.823 -5.352 -3.952 223 HZ1 LYS 57 HZ1 LYS 57 8.307 -6.767 -5.187 224 HZ2 LYS 57 HZ2 LYS 57 8.125 -5.822 -6.581 225 HZ3 LYS 57 HZ3 LYS 57 6.809 -6.702 -5.982 226 H VAL 58 HN VAL 58 9.314 -0.028 -4.352 227 HA VAL 58 HA VAL 58 10.227 1.494 -6.628 228 HB VAL 58 HB VAL 58 10.018 2.219 -3.705 229 HG11 VAL 58 HG11 VAL 58 10.717 3.995 -6.042 230 HG12 VAL 58 HG12 VAL 58 11.823 3.496 -4.763 231 HG13 VAL 58 HG13 VAL 58 10.442 4.525 -4.385 232 HG21 VAL 58 HG21 VAL 58 7.886 1.902 -4.848 233 HG22 VAL 58 HG22 VAL 58 8.386 3.033 -6.105 234 HG23 VAL 58 HG23 VAL 58 8.148 3.600 -4.454 235 H CYS 59 HN CYS 59 11.751 0.623 -3.484 236 HA CYS 59 HA CYS 59 14.316 1.157 -4.825 237 HB2 CYS 59 HB2 CYS 59 13.747 2.749 -3.033 238 HB3 CYS 59 HB1 CYS 59 13.686 1.411 -1.900 239 H GLY 60 HN GLY 60 12.794 -0.922 -2.374 240 HA2 GLY 60 HA2 GLY 60 13.403 -3.355 -2.861 241 HA3 GLY 60 HA1 GLY 60 15.060 -2.782 -2.718 242 H ALA 61 HN ALA 61 11.999 -2.835 -0.937 243 HA ALA 61 HA ALA 61 13.256 -3.737 1.468 244 HB1 ALA 61 HB1 ALA 61 13.905 -1.369 1.534 245 HB2 ALA 61 HB2 ALA 61 12.776 -1.763 2.828 246 HB3 ALA 61 HB3 ALA 61 12.207 -0.901 1.397 247 H GLN 62 HN GLN 62 11.388 -3.138 3.326 248 HA GLN 62 HA GLN 62 8.914 -4.175 2.154 249 HB2 GLN 62 HB2 GLN 62 9.877 -5.407 4.078 250 HB3 GLN 62 HB1 GLN 62 9.688 -3.964 5.067 251 HG2 GLN 62 HG2 GLN 62 7.272 -4.048 4.731 252 HG3 GLN 62 HG1 GLN 62 7.460 -5.497 3.744 253 HE21 GLN 62 HE21 GLN 62 8.074 -7.428 4.737 254 HE22 GLN 62 HE22 GLN 62 7.896 -7.669 6.438 255 H ALA 63 HN ALA 63 7.374 -2.778 1.700 256 HA ALA 63 HA ALA 63 7.437 -0.135 2.925 257 HB1 ALA 63 HB1 ALA 63 5.683 -1.129 0.690 258 HB2 ALA 63 HB2 ALA 63 7.251 -0.357 0.465 259 HB3 ALA 63 HB3 ALA 63 5.923 0.544 1.193 260 H LEU 64 HN LEU 64 5.788 0.678 4.173 261 HA LEU 64 HA LEU 64 3.904 -1.328 5.159 262 HB2 LEU 64 HB2 LEU 64 4.718 1.346 6.290 263 HB3 LEU 64 HB1 LEU 64 3.536 0.276 7.018 264 HG LEU 64 HG LEU 64 6.466 -0.337 6.622 265 HD11 LEU 64 HD11 LEU 64 6.063 1.289 8.385 266 HD12 LEU 64 HD12 LEU 64 6.573 -0.258 9.059 267 HD13 LEU 64 HD13 LEU 64 4.875 0.215 9.120 268 HD21 LEU 64 HD21 LEU 64 4.267 -1.973 7.887 269 HD22 LEU 64 HD22 LEU 64 5.987 -2.356 7.953 270 HD23 LEU 64 HD23 LEU 64 5.144 -2.359 6.405 271 H LEU 65 HN LEU 65 1.772 -1.131 4.992 272 HA LEU 65 HA LEU 65 0.718 0.553 2.955 273 HB2 LEU 65 HB2 LEU 65 -0.055 -1.753 3.440 274 HB3 LEU 65 HB1 LEU 65 -0.669 -1.196 4.986 275 HG LEU 65 HG LEU 65 -2.350 -1.556 3.092 276 HD11 LEU 65 HD11 LEU 65 -2.932 -0.441 5.171 277 HD12 LEU 65 HD12 LEU 65 -3.731 0.324 3.799 278 HD13 LEU 65 HD13 LEU 65 -2.322 1.087 4.535 279 HD21 LEU 65 HD21 LEU 65 -2.680 0.321 1.579 280 HD22 LEU 65 HD22 LEU 65 -1.098 -0.423 1.338 281 HD23 LEU 65 HD23 LEU 65 -1.234 1.099 2.220 282 H VAL 66 HN VAL 66 0.064 2.595 3.164 283 HA VAL 66 HA VAL 66 -0.467 3.589 5.883 284 HB VAL 66 HB VAL 66 0.267 5.813 5.087 285 HG11 VAL 66 HG11 VAL 66 1.832 4.318 6.239 286 HG12 VAL 66 HG12 VAL 66 2.653 5.338 5.057 287 HG13 VAL 66 HG13 VAL 66 2.326 3.646 4.684 288 HG21 VAL 66 HG21 VAL 66 1.498 6.003 2.971 289 HG22 VAL 66 HG22 VAL 66 -0.188 5.559 2.708 290 HG23 VAL 66 HG23 VAL 66 1.075 4.335 2.583 291 H ASP 67 HN ASP 67 -2.259 4.724 6.285 292 HA ASP 67 HA ASP 67 -4.375 5.493 6.075 293 HB2 ASP 67 HB2 ASP 67 -3.004 6.687 3.691 294 HB3 ASP 67 HB1 ASP 67 -4.706 7.008 4.000 295 H GLY 68 HN GLY 68 -4.324 2.883 5.414 296 HA2 GLY 68 HA2 GLY 68 -6.538 2.820 3.498 297 HA3 GLY 68 HA1 GLY 68 -5.197 1.715 3.230 298 H ASP 69 HN ASP 69 -7.309 0.420 3.410 299 HA ASP 69 HA ASP 69 -7.098 -1.154 5.759 300 HB2 ASP 69 HB2 ASP 69 -8.515 0.635 6.706 301 HB3 ASP 69 HB1 ASP 69 -9.665 0.425 5.392 302 H GLY 70 HN GLY 70 -9.595 -0.232 3.418 303 HA2 GLY 70 HA2 GLY 70 -9.229 -2.810 2.108 304 HA3 GLY 70 HA1 GLY 70 -10.843 -2.387 2.666 305 HA PRO 71 HA PRO 71 -11.639 0.012 -0.992 306 HB2 PRO 71 HB2 PRO 71 -12.224 2.519 -0.024 307 HB3 PRO 71 HB1 PRO 71 -13.377 1.185 -0.107 308 HG2 PRO 71 HG2 PRO 71 -11.764 2.156 2.217 309 HG3 PRO 71 HG1 PRO 71 -13.447 1.599 2.174 310 HD2 PRO 71 HD2 PRO 71 -11.477 0.025 3.080 311 HD3 PRO 71 HD1 PRO 71 -12.834 -0.639 2.145 312 H GLU 72 HN GLU 72 -10.102 0.616 -2.349 313 HA GLU 72 HA GLU 72 -7.639 1.740 -1.585 314 HB2 GLU 72 HB2 GLU 72 -8.890 1.862 -4.331 315 HB3 GLU 72 HB1 GLU 72 -7.183 2.001 -3.938 316 HG2 GLU 72 HG2 GLU 72 -7.156 -0.324 -3.224 317 HG3 GLU 72 HG1 GLU 72 -8.870 -0.461 -3.607 318 H GLU 73 HN GLU 73 -7.037 3.797 -1.275 319 HA GLU 73 HA GLU 73 -6.861 6.050 -1.552 320 HB2 GLU 73 HB2 GLU 73 -7.266 5.298 -3.955 321 HB3 GLU 73 HB1 GLU 73 -8.927 5.807 -3.725 322 HG2 GLU 73 HG2 GLU 73 -8.140 8.086 -3.263 323 HG3 GLU 73 HG1 GLU 73 -6.484 7.553 -3.575 324 H LYS 74 HN LYS 74 -9.066 4.704 0.060 325 HA LYS 74 HA LYS 74 -11.301 6.434 0.098 326 HB2 LYS 74 HB2 LYS 74 -11.356 4.226 1.168 327 HB3 LYS 74 HB1 LYS 74 -10.146 4.750 2.334 328 HG2 LYS 74 HG2 LYS 74 -11.702 6.415 3.209 329 HG3 LYS 74 HG1 LYS 74 -12.914 5.902 2.037 330 HD2 LYS 74 HD2 LYS 74 -12.880 3.648 3.040 331 HD3 LYS 74 HD1 LYS 74 -11.731 4.224 4.248 332 HE2 LYS 74 HE2 LYS 74 -13.990 4.214 5.150 333 HE3 LYS 74 HE1 LYS 74 -13.378 5.863 5.024 334 HZ1 LYS 74 HZ1 LYS 74 -15.670 5.670 4.253 335 HZ2 LYS 74 HZ2 LYS 74 -15.195 4.556 3.074 336 HZ3 LYS 74 HZ3 LYS 74 -14.644 6.151 2.998 337 H LYS 75 HN LYS 75 -8.176 6.493 1.656 338 HA LYS 75 HA LYS 75 -8.834 9.080 2.881 339 HB2 LYS 75 HB2 LYS 75 -6.538 7.212 3.504 340 HB3 LYS 75 HB1 LYS 75 -6.922 8.695 4.363 341 HG2 LYS 75 HG2 LYS 75 -8.662 6.238 4.243 342 HG3 LYS 75 HG1 LYS 75 -7.622 6.699 5.590 343 HD2 LYS 75 HD2 LYS 75 -9.887 8.390 4.539 344 HD3 LYS 75 HD1 LYS 75 -10.026 7.281 5.901 345 HE2 LYS 75 HE2 LYS 75 -8.265 8.538 7.076 346 HE3 LYS 75 HE1 LYS 75 -8.185 9.663 5.721 347 HZ1 LYS 75 HZ1 LYS 75 -9.550 10.493 7.557 348 HZ2 LYS 75 HZ2 LYS 75 -10.600 9.177 7.381 349 HZ3 LYS 75 HZ3 LYS 75 -10.452 10.315 6.136 Start of MODEL 9 1 H1 GLN 28 HT1 GLN 28 -8.304 5.290 -7.912 2 H2 GLN 28 HT2 GLN 28 -7.936 5.855 -6.359 3 H3 GLN 28 HT3 GLN 28 -9.544 5.805 -6.884 4 HA GLN 28 HA GLN 28 -9.055 4.003 -5.356 5 HB2 GLN 28 HB2 GLN 28 -9.852 2.142 -6.831 6 HB3 GLN 28 HB1 GLN 28 -10.808 3.610 -6.938 7 HG2 GLN 28 HG2 GLN 28 -9.686 4.192 -9.029 8 HG3 GLN 28 HG1 GLN 28 -8.723 2.721 -8.919 9 HE21 GLN 28 HE21 GLN 28 -12.100 2.913 -8.018 10 HE22 GLN 28 HE22 GLN 28 -12.695 1.925 -9.304 11 H ALA 29 HN ALA 29 -6.702 4.346 -4.993 12 HA ALA 29 HA ALA 29 -5.267 1.997 -5.973 13 HB1 ALA 29 HB1 ALA 29 -4.593 3.898 -7.390 14 HB2 ALA 29 HB2 ALA 29 -3.260 3.254 -6.434 15 HB3 ALA 29 HB3 ALA 29 -4.052 4.753 -5.948 16 H VAL 30 HN VAL 30 -4.148 0.990 -4.387 17 HA VAL 30 HA VAL 30 -4.179 2.128 -1.732 18 HB VAL 30 HB VAL 30 -3.237 0.059 -0.958 19 HG11 VAL 30 HG11 VAL 30 -5.267 -0.451 -3.124 20 HG12 VAL 30 HG12 VAL 30 -5.598 -0.030 -1.444 21 HG13 VAL 30 HG13 VAL 30 -4.856 -1.579 -1.835 22 HG21 VAL 30 HG21 VAL 30 -1.556 -0.224 -2.730 23 HG22 VAL 30 HG22 VAL 30 -2.833 -0.723 -3.840 24 HG23 VAL 30 HG23 VAL 30 -2.465 -1.702 -2.418 25 H GLU 31 HN GLU 31 -2.412 2.871 -0.584 26 HA GLU 31 HA GLU 31 0.015 3.284 -2.192 27 HB2 GLU 31 HB2 GLU 31 -1.247 5.081 -0.128 28 HB3 GLU 31 HB1 GLU 31 0.323 5.376 -0.867 29 HG2 GLU 31 HG2 GLU 31 -0.771 5.465 -3.078 30 HG3 GLU 31 HG1 GLU 31 -2.331 5.266 -2.285 31 H TYR 32 HN TYR 32 1.871 2.586 -1.415 32 HA TYR 32 HA TYR 32 2.009 1.829 1.433 33 HB2 TYR 32 HB2 TYR 32 3.384 0.596 -0.963 34 HB3 TYR 32 HB1 TYR 32 3.794 0.209 0.703 35 HD1 TYR 32 HD2 TYR 32 1.235 -0.095 -1.911 36 HD2 TYR 32 HD1 TYR 32 2.376 -1.225 2.027 37 HE1 TYR 32 HE2 TYR 32 -0.519 -1.816 -1.902 38 HE2 TYR 32 HE1 TYR 32 0.622 -2.950 2.051 39 HH TYR 32 HH TYR 32 -1.094 -3.846 -0.810 40 H ALA 33 HN ALA 33 3.778 2.491 2.606 41 HA ALA 33 HA ALA 33 5.664 4.266 1.198 42 HB1 ALA 33 HB1 ALA 33 5.845 5.570 3.246 43 HB2 ALA 33 HB2 ALA 33 4.679 4.506 4.035 44 HB3 ALA 33 HB3 ALA 33 4.179 5.509 2.672 45 H CYS 34 HN CYS 34 7.719 3.620 1.220 46 HA CYS 34 HA CYS 34 8.429 1.274 2.758 47 HB2 CYS 34 HB2 CYS 34 10.481 1.297 1.455 48 HB3 CYS 34 HB1 CYS 34 9.099 1.526 0.389 49 H GLU 35 HN GLU 35 10.650 1.228 3.776 50 HA GLU 35 HA GLU 35 10.857 3.259 5.772 51 HB2 GLU 35 HB2 GLU 35 12.874 1.981 6.487 52 HB3 GLU 35 HB1 GLU 35 11.425 0.992 6.349 53 HG2 GLU 35 HG2 GLU 35 12.177 0.138 4.212 54 HG3 GLU 35 HG1 GLU 35 13.599 1.180 4.276 55 H LYS 36 HN LYS 36 11.834 3.157 2.608 56 HA LYS 36 HA LYS 36 14.278 4.676 2.936 57 HB2 LYS 36 HB2 LYS 36 12.730 3.863 0.486 58 HB3 LYS 36 HB1 LYS 36 14.233 4.765 0.439 59 HG2 LYS 36 HG2 LYS 36 13.898 2.005 1.576 60 HG3 LYS 36 HG1 LYS 36 14.571 2.395 -0.008 61 HD2 LYS 36 HD2 LYS 36 16.209 3.891 1.331 62 HD3 LYS 36 HD1 LYS 36 15.709 2.907 2.709 63 HE2 LYS 36 HE2 LYS 36 16.351 0.888 1.484 64 HE3 LYS 36 HE1 LYS 36 16.870 1.889 0.130 65 HZ1 LYS 36 HZ1 LYS 36 18.757 1.269 1.467 66 HZ2 LYS 36 HZ2 LYS 36 18.038 1.894 2.861 67 HZ3 LYS 36 HZ3 LYS 36 18.500 2.935 1.610 68 H GLY 37 HN GLY 37 10.960 5.249 2.815 69 HA2 GLY 37 HA2 GLY 37 10.007 7.343 3.311 70 HA3 GLY 37 HA1 GLY 37 11.468 8.124 2.723 71 H HIS 38 HN HIS 38 10.156 5.644 0.743 72 HA HIS 38 HA HIS 38 9.029 7.697 -1.043 73 HB2 HIS 38 HB2 HIS 38 10.302 5.032 -1.700 74 HB3 HIS 38 HB1 HIS 38 9.464 6.032 -2.879 75 HD2 HIS 38 HD2 HIS 38 12.779 5.991 -0.823 76 HE1 HIS 38 HE1 HIS 38 13.078 8.914 -3.866 77 HE2 HIS 38 HE2 HIS 38 14.271 7.793 -1.938 78 H ARG 39 HN ARG 39 6.932 7.549 -1.571 79 HA ARG 39 HA ARG 39 5.475 5.153 -0.681 80 HB2 ARG 39 HB2 ARG 39 4.321 7.848 -1.399 81 HB3 ARG 39 HB1 ARG 39 3.483 6.507 -0.636 82 HG2 ARG 39 HG2 ARG 39 5.061 6.738 1.293 83 HG3 ARG 39 HG1 ARG 39 5.650 8.221 0.545 84 HD2 ARG 39 HD2 ARG 39 3.375 9.147 0.627 85 HD3 ARG 39 HD1 ARG 39 2.815 7.669 1.410 86 HE ARG 39 HE ARG 39 4.990 9.048 2.735 87 HH11 ARG 39 HH11 ARG 39 1.527 8.564 2.531 88 HH12 ARG 39 HH12 ARG 39 1.226 9.146 4.136 89 HH21 ARG 39 HH21 ARG 39 4.599 9.828 4.833 90 HH22 ARG 39 HH22 ARG 39 2.978 9.881 5.446 91 H PHE 40 HN PHE 40 4.074 4.097 -2.092 92 HA PHE 40 HA PHE 40 3.983 5.013 -4.862 93 HB2 PHE 40 HB2 PHE 40 4.566 2.734 -5.697 94 HB3 PHE 40 HB1 PHE 40 5.901 3.559 -4.903 95 HD1 PHE 40 HD2 PHE 40 6.568 2.868 -2.605 96 HD2 PHE 40 HD1 PHE 40 3.738 0.671 -4.905 97 HE1 PHE 40 HE2 PHE 40 6.873 0.928 -1.122 98 HE2 PHE 40 HE1 PHE 40 4.036 -1.269 -3.422 99 HZ PHE 40 HZ PHE 40 5.672 -1.177 -1.591 100 H GLU 41 HN GLU 41 2.319 4.073 -6.113 101 HA GLU 41 HA GLU 41 0.122 3.024 -4.470 102 HB2 GLU 41 HB2 GLU 41 -1.380 3.936 -6.155 103 HB3 GLU 41 HB1 GLU 41 -0.288 5.189 -5.585 104 HG2 GLU 41 HG2 GLU 41 1.124 4.747 -7.603 105 HG3 GLU 41 HG1 GLU 41 -0.159 3.694 -8.190 106 H MET 42 HN MET 42 -1.008 1.209 -5.108 107 HA MET 42 HA MET 42 -0.163 -0.148 -7.562 108 HB2 MET 42 HB2 MET 42 -0.191 -1.416 -4.813 109 HB3 MET 42 HB1 MET 42 -0.099 -2.331 -6.316 110 HG2 MET 42 HG2 MET 42 1.986 -0.986 -6.839 111 HG3 MET 42 HG1 MET 42 1.931 -0.444 -5.163 112 HE1 MET 42 HE1 MET 42 2.119 -3.963 -3.323 113 HE2 MET 42 HE2 MET 42 0.655 -3.177 -3.913 114 HE3 MET 42 HE3 MET 42 1.894 -2.229 -3.093 115 HA PRO 43 HA PRO 43 -4.515 -0.861 -7.861 116 HB2 PRO 43 HB2 PRO 43 -4.071 -3.165 -9.570 117 HB3 PRO 43 HB1 PRO 43 -4.663 -1.561 -10.004 118 HG2 PRO 43 HG2 PRO 43 -2.227 -2.513 -10.766 119 HG3 PRO 43 HG1 PRO 43 -2.575 -0.791 -10.535 120 HD2 PRO 43 HD2 PRO 43 -1.181 -2.707 -8.711 121 HD3 PRO 43 HD1 PRO 43 -0.800 -1.012 -9.075 122 H PHE 44 HN PHE 44 -5.684 -1.710 -6.315 123 HA PHE 44 HA PHE 44 -5.661 -4.616 -5.933 124 HB2 PHE 44 HB2 PHE 44 -5.244 -2.525 -3.858 125 HB3 PHE 44 HB1 PHE 44 -6.319 -3.853 -3.436 126 HD1 PHE 44 HD2 PHE 44 -5.433 -6.199 -3.502 127 HD2 PHE 44 HD1 PHE 44 -2.920 -2.794 -3.909 128 HE1 PHE 44 HE2 PHE 44 -3.475 -7.585 -2.966 129 HE2 PHE 44 HE1 PHE 44 -0.956 -4.176 -3.379 130 HZ PHE 44 HZ PHE 44 -1.270 -6.604 -2.849 131 H SER 45 HN SER 45 -7.757 -5.012 -4.367 132 HA SER 45 HA SER 45 -9.968 -3.713 -5.764 133 HB2 SER 45 HB2 SER 45 -10.491 -5.634 -3.595 134 HB3 SER 45 HB1 SER 45 -11.217 -5.534 -5.200 135 HG SER 45 HG SER 45 -9.012 -6.284 -5.922 136 H VAL 46 HN VAL 46 -11.534 -2.506 -4.685 137 HA VAL 46 HA VAL 46 -10.670 -1.277 -2.221 138 HB VAL 46 HB VAL 46 -12.686 0.098 -2.438 139 HG11 VAL 46 HG11 VAL 46 -10.661 0.853 -3.499 140 HG12 VAL 46 HG12 VAL 46 -12.046 1.269 -4.507 141 HG13 VAL 46 HG13 VAL 46 -11.026 -0.103 -4.934 142 HG21 VAL 46 HG21 VAL 46 -14.160 -1.550 -3.475 143 HG22 VAL 46 HG22 VAL 46 -13.200 -1.471 -4.952 144 HG23 VAL 46 HG23 VAL 46 -14.104 -0.057 -4.412 145 H GLU 47 HN GLU 47 -12.382 -4.011 -3.027 146 HA GLU 47 HA GLU 47 -13.727 -4.054 -0.409 147 HB2 GLU 47 HB2 GLU 47 -14.299 -5.731 -2.857 148 HB3 GLU 47 HB1 GLU 47 -15.155 -5.832 -1.325 149 HG2 GLU 47 HG2 GLU 47 -15.877 -3.485 -1.629 150 HG3 GLU 47 HG1 GLU 47 -15.111 -3.495 -3.218 151 H ALA 48 HN ALA 48 -10.887 -4.647 -1.246 152 HA ALA 48 HA ALA 48 -10.734 -7.439 -0.333 153 HB1 ALA 48 HB1 ALA 48 -8.703 -5.778 -1.826 154 HB2 ALA 48 HB2 ALA 48 -9.664 -7.106 -2.479 155 HB3 ALA 48 HB3 ALA 48 -8.439 -7.425 -1.252 156 H GLU 49 HN GLU 49 -9.243 -7.959 1.330 157 HA GLU 49 HA GLU 49 -8.852 -5.898 3.282 158 HB2 GLU 49 HB2 GLU 49 -7.683 -8.688 3.229 159 HB3 GLU 49 HB1 GLU 49 -7.782 -7.626 4.626 160 HG2 GLU 49 HG2 GLU 49 -10.082 -8.887 3.157 161 HG3 GLU 49 HG1 GLU 49 -9.483 -9.318 4.756 162 H ILE 50 HN ILE 50 -7.551 -4.355 2.289 163 HA ILE 50 HA ILE 50 -5.234 -4.850 0.818 164 HB ILE 50 HB ILE 50 -5.785 -2.368 2.468 165 HG12 ILE 50 HG12 ILE 50 -7.702 -2.767 1.076 166 HG13 ILE 50 HG11 ILE 50 -6.751 -1.492 0.321 167 HG21 ILE 50 HG21 ILE 50 -4.378 -1.230 0.845 168 HG22 ILE 50 HG22 ILE 50 -4.129 -2.742 -0.030 169 HG23 ILE 50 HG23 ILE 50 -3.487 -2.553 1.602 170 HD11 ILE 50 HD11 ILE 50 -6.899 -4.380 -0.504 171 HD12 ILE 50 HD12 ILE 50 -5.788 -3.202 -1.200 172 HD13 ILE 50 HD13 ILE 50 -7.529 -2.979 -1.373 173 HA PRO 51 HA PRO 51 -2.649 -6.623 3.977 174 HB2 PRO 51 HB2 PRO 51 -0.556 -5.843 2.008 175 HB3 PRO 51 HB1 PRO 51 -0.836 -7.400 2.795 176 HG2 PRO 51 HG2 PRO 51 -1.522 -7.029 0.255 177 HG3 PRO 51 HG1 PRO 51 -2.553 -7.974 1.344 178 HD2 PRO 51 HD2 PRO 51 -2.911 -5.192 0.327 179 HD3 PRO 51 HD1 PRO 51 -4.126 -6.446 0.650 180 HA PRO 52 HA PRO 52 -1.444 -2.915 6.156 181 HB2 PRO 52 HB2 PRO 52 0.077 -4.841 7.814 182 HB3 PRO 52 HB1 PRO 52 -1.151 -3.666 8.295 183 HG2 PRO 52 HG2 PRO 52 -1.717 -6.263 8.233 184 HG3 PRO 52 HG1 PRO 52 -2.907 -5.061 7.698 185 HD2 PRO 52 HD2 PRO 52 -1.123 -6.822 6.057 186 HD3 PRO 52 HD1 PRO 52 -2.832 -6.403 5.812 187 H GLU 53 HN GLU 53 0.802 -5.287 4.946 188 HA GLU 53 HA GLU 53 2.713 -3.145 4.492 189 HB2 GLU 53 HB2 GLU 53 4.612 -4.473 5.286 190 HB3 GLU 53 HB1 GLU 53 3.482 -4.142 6.586 191 HG2 GLU 53 HG2 GLU 53 3.524 -6.736 5.067 192 HG3 GLU 53 HG1 GLU 53 4.466 -6.453 6.527 193 H TRP 54 HN TRP 54 4.173 -3.569 2.779 194 HA TRP 54 HA TRP 54 3.845 -6.032 1.294 195 HB2 TRP 54 HB2 TRP 54 2.073 -4.350 0.506 196 HB3 TRP 54 HB1 TRP 54 3.417 -3.426 -0.154 197 HD1 TRP 54 HD1 TRP 54 4.654 -4.418 -2.312 198 HE1 TRP 54 HE1 TRP 54 3.966 -6.219 -4.017 199 HE3 TRP 54 HE3 TRP 54 0.806 -6.564 0.280 200 HZ2 TRP 54 HZ2 TRP 54 2.041 -8.265 -4.238 201 HZ3 TRP 54 HZ3 TRP 54 -0.408 -8.437 -0.752 202 HH2 TRP 54 HH2 TRP 54 0.198 -9.270 -2.965 203 H GLU 55 HN GLU 55 5.514 -6.228 -0.410 204 HA GLU 55 HA GLU 55 8.019 -5.179 0.396 205 HB2 GLU 55 HB2 GLU 55 7.817 -7.344 -0.732 206 HB3 GLU 55 HB1 GLU 55 7.231 -6.547 -2.184 207 HG2 GLU 55 HG2 GLU 55 9.382 -5.398 -2.415 208 HG3 GLU 55 HG1 GLU 55 9.967 -6.222 -0.970 209 H CYS 56 HN CYS 56 9.312 -3.632 -0.515 210 HA CYS 56 HA CYS 56 7.953 -1.463 -1.832 211 HB2 CYS 56 HB2 CYS 56 9.469 -0.809 -0.132 212 HB3 CYS 56 HB1 CYS 56 10.739 -1.854 -0.754 213 H LYS 57 HN LYS 57 7.602 -1.636 -3.928 214 HA LYS 57 HA LYS 57 9.361 -2.997 -5.732 215 HB2 LYS 57 HB2 LYS 57 6.826 -1.451 -5.984 216 HB3 LYS 57 HB1 LYS 57 7.807 -1.659 -7.422 217 HG2 LYS 57 HG2 LYS 57 6.115 -3.351 -7.371 218 HG3 LYS 57 HG1 LYS 57 7.683 -4.107 -7.114 219 HD2 LYS 57 HD2 LYS 57 6.125 -3.306 -4.718 220 HD3 LYS 57 HD1 LYS 57 5.556 -4.698 -5.638 221 HE2 LYS 57 HE2 LYS 57 8.340 -4.361 -4.522 222 HE3 LYS 57 HE1 LYS 57 7.061 -5.328 -3.793 223 HZ1 LYS 57 HZ1 LYS 57 7.025 -6.691 -5.812 224 HZ2 LYS 57 HZ2 LYS 57 8.537 -6.726 -5.049 225 HZ3 LYS 57 HZ3 LYS 57 8.312 -5.792 -6.447 226 H VAL 58 HN VAL 58 9.566 -0.012 -4.263 227 HA VAL 58 HA VAL 58 10.390 1.481 -6.608 228 HB VAL 58 HB VAL 58 10.257 2.320 -3.709 229 HG11 VAL 58 HG11 VAL 58 10.438 4.614 -4.582 230 HG12 VAL 58 HG12 VAL 58 10.719 3.961 -6.196 231 HG13 VAL 58 HG13 VAL 58 11.883 3.658 -4.907 232 HG21 VAL 58 HG21 VAL 58 8.068 1.814 -4.633 233 HG22 VAL 58 HG22 VAL 58 8.395 2.854 -6.019 234 HG23 VAL 58 HG23 VAL 58 8.253 3.553 -4.407 235 H CYS 59 HN CYS 59 11.909 0.754 -3.436 236 HA CYS 59 HA CYS 59 14.486 1.298 -4.760 237 HB2 CYS 59 HB2 CYS 59 13.855 2.906 -2.993 238 HB3 CYS 59 HB1 CYS 59 13.771 1.587 -1.833 239 H GLY 60 HN GLY 60 12.962 -0.753 -2.267 240 HA2 GLY 60 HA2 GLY 60 13.553 -3.194 -2.745 241 HA3 GLY 60 HA1 GLY 60 15.213 -2.630 -2.619 242 H ALA 61 HN ALA 61 12.185 -2.917 -0.831 243 HA ALA 61 HA ALA 61 13.437 -3.852 1.526 244 HB1 ALA 61 HB1 ALA 61 14.135 -1.505 1.741 245 HB2 ALA 61 HB2 ALA 61 12.991 -1.951 3.007 246 HB3 ALA 61 HB3 ALA 61 12.451 -0.995 1.628 247 H GLN 62 HN GLN 62 11.563 -3.258 3.428 248 HA GLN 62 HA GLN 62 9.059 -4.153 2.206 249 HB2 GLN 62 HB2 GLN 62 9.960 -5.419 4.168 250 HB3 GLN 62 HB1 GLN 62 9.759 -3.970 5.144 251 HG2 GLN 62 HG2 GLN 62 7.371 -4.025 4.815 252 HG3 GLN 62 HG1 GLN 62 7.523 -5.395 3.718 253 HE21 GLN 62 HE21 GLN 62 6.226 -6.721 4.941 254 HE22 GLN 62 HE22 GLN 62 6.716 -7.361 6.473 255 H ALA 63 HN ALA 63 7.199 -2.965 2.339 256 HA ALA 63 HA ALA 63 7.506 -0.220 3.358 257 HB1 ALA 63 HB1 ALA 63 6.027 0.515 1.561 258 HB2 ALA 63 HB2 ALA 63 5.905 -1.144 0.974 259 HB3 ALA 63 HB3 ALA 63 7.451 -0.297 0.909 260 H LEU 64 HN LEU 64 5.723 0.726 4.347 261 HA LEU 64 HA LEU 64 3.787 -1.218 5.373 262 HB2 LEU 64 HB2 LEU 64 4.510 1.541 6.365 263 HB3 LEU 64 HB1 LEU 64 3.328 0.482 7.111 264 HG LEU 64 HG LEU 64 6.298 -0.019 6.899 265 HD11 LEU 64 HD11 LEU 64 5.685 1.648 8.571 266 HD12 LEU 64 HD12 LEU 64 6.259 0.162 9.328 267 HD13 LEU 64 HD13 LEU 64 4.533 0.518 9.282 268 HD21 LEU 64 HD21 LEU 64 4.115 -1.731 8.078 269 HD22 LEU 64 HD22 LEU 64 5.844 -2.009 8.282 270 HD23 LEU 64 HD23 LEU 64 5.118 -2.116 6.680 271 H LEU 65 HN LEU 65 1.671 -1.035 5.050 272 HA LEU 65 HA LEU 65 0.739 0.568 2.893 273 HB2 LEU 65 HB2 LEU 65 -0.091 -1.691 3.372 274 HB3 LEU 65 HB1 LEU 65 -0.718 -1.140 4.912 275 HG LEU 65 HG LEU 65 -2.374 -1.496 2.998 276 HD11 LEU 65 HD11 LEU 65 -3.749 0.403 3.700 277 HD12 LEU 65 HD12 LEU 65 -2.348 1.111 4.498 278 HD13 LEU 65 HD13 LEU 65 -3.003 -0.426 5.063 279 HD21 LEU 65 HD21 LEU 65 -1.269 1.176 2.155 280 HD22 LEU 65 HD22 LEU 65 -2.703 0.388 1.495 281 HD23 LEU 65 HD23 LEU 65 -1.113 -0.337 1.263 282 H VAL 66 HN VAL 66 0.025 2.593 2.955 283 HA VAL 66 HA VAL 66 -0.673 3.721 5.577 284 HB VAL 66 HB VAL 66 -0.146 5.953 4.565 285 HG11 VAL 66 HG11 VAL 66 2.095 3.932 4.574 286 HG12 VAL 66 HG12 VAL 66 1.475 4.808 5.976 287 HG13 VAL 66 HG13 VAL 66 2.292 5.681 4.678 288 HG21 VAL 66 HG21 VAL 66 -0.396 5.382 2.204 289 HG22 VAL 66 HG22 VAL 66 0.990 4.297 2.312 290 HG23 VAL 66 HG23 VAL 66 1.211 6.032 2.529 291 H ASP 67 HN ASP 67 -2.760 3.823 5.873 292 HA ASP 67 HA ASP 67 -4.969 4.255 5.629 293 HB2 ASP 67 HB2 ASP 67 -3.983 5.887 3.291 294 HB3 ASP 67 HB1 ASP 67 -5.683 5.796 3.735 295 H GLY 68 HN GLY 68 -5.650 2.179 5.306 296 HA2 GLY 68 HA2 GLY 68 -6.907 1.598 2.829 297 HA3 GLY 68 HA1 GLY 68 -5.432 0.667 2.978 298 H ASP 69 HN ASP 69 -5.557 -1.219 3.949 299 HA ASP 69 HA ASP 69 -6.434 -3.067 4.929 300 HB2 ASP 69 HB2 ASP 69 -6.058 -1.431 6.922 301 HB3 ASP 69 HB1 ASP 69 -7.816 -1.312 6.939 302 H GLY 70 HN GLY 70 -7.906 -2.028 2.805 303 HA2 GLY 70 HA2 GLY 70 -10.066 -3.509 2.518 304 HA3 GLY 70 HA1 GLY 70 -10.713 -2.253 3.563 305 HA PRO 71 HA PRO 71 -11.236 0.226 -0.103 306 HB2 PRO 71 HB2 PRO 71 -11.306 2.690 0.965 307 HB3 PRO 71 HB1 PRO 71 -12.626 1.538 1.197 308 HG2 PRO 71 HG2 PRO 71 -10.406 2.277 3.060 309 HG3 PRO 71 HG1 PRO 71 -12.121 2.005 3.415 310 HD2 PRO 71 HD2 PRO 71 -10.163 0.140 3.845 311 HD3 PRO 71 HD1 PRO 71 -11.861 -0.267 3.530 312 H GLU 72 HN GLU 72 -9.916 1.134 -1.579 313 HA GLU 72 HA GLU 72 -7.114 1.199 -1.045 314 HB2 GLU 72 HB2 GLU 72 -8.650 2.102 -3.484 315 HB3 GLU 72 HB1 GLU 72 -6.907 1.928 -3.395 316 HG2 GLU 72 HG2 GLU 72 -7.224 -0.490 -2.962 317 HG3 GLU 72 HG1 GLU 72 -8.955 -0.261 -3.214 318 H GLU 73 HN GLU 73 -9.566 3.646 -1.743 319 HA GLU 73 HA GLU 73 -7.626 5.738 -1.066 320 HB2 GLU 73 HB2 GLU 73 -7.735 5.216 -3.560 321 HB3 GLU 73 HB1 GLU 73 -9.372 5.858 -3.521 322 HG2 GLU 73 HG2 GLU 73 -8.495 8.013 -2.758 323 HG3 GLU 73 HG1 GLU 73 -6.857 7.359 -2.842 324 H LYS 74 HN LYS 74 -9.911 4.650 0.347 325 HA LYS 74 HA LYS 74 -11.827 6.870 0.237 326 HB2 LYS 74 HB2 LYS 74 -12.653 4.508 0.192 327 HB3 LYS 74 HB1 LYS 74 -11.999 4.295 1.807 328 HG2 LYS 74 HG2 LYS 74 -13.510 5.990 2.666 329 HG3 LYS 74 HG1 LYS 74 -14.153 6.257 1.046 330 HD2 LYS 74 HD2 LYS 74 -14.272 3.645 2.552 331 HD3 LYS 74 HD1 LYS 74 -15.600 4.799 2.420 332 HE2 LYS 74 HE2 LYS 74 -15.609 4.518 -0.008 333 HE3 LYS 74 HE1 LYS 74 -14.262 3.389 0.113 334 HZ1 LYS 74 HZ1 LYS 74 -16.424 2.288 -0.112 335 HZ2 LYS 74 HZ2 LYS 74 -16.922 2.970 1.351 336 HZ3 LYS 74 HZ3 LYS 74 -15.638 1.870 1.325 337 H LYS 75 HN LYS 75 -9.124 5.808 1.905 338 HA LYS 75 HA LYS 75 -9.811 7.352 4.304 339 HB2 LYS 75 HB2 LYS 75 -7.696 5.237 3.868 340 HB3 LYS 75 HB1 LYS 75 -7.849 6.189 5.338 341 HG2 LYS 75 HG2 LYS 75 -10.105 5.266 5.672 342 HG3 LYS 75 HG1 LYS 75 -9.893 4.275 4.227 343 HD2 LYS 75 HD2 LYS 75 -7.990 3.155 5.258 344 HD3 LYS 75 HD1 LYS 75 -8.156 4.168 6.693 345 HE2 LYS 75 HE2 LYS 75 -10.392 3.232 7.077 346 HE3 LYS 75 HE1 LYS 75 -10.196 2.205 5.659 347 HZ1 LYS 75 HZ1 LYS 75 -9.704 1.012 7.701 348 HZ2 LYS 75 HZ2 LYS 75 -8.494 2.126 8.088 349 HZ3 LYS 75 HZ3 LYS 75 -8.322 1.132 6.731 Start of MODEL 10 1 H1 GLN 28 HT1 GLN 28 -10.664 4.985 -6.224 2 H2 GLN 28 HT2 GLN 28 -9.522 4.727 -7.442 3 H3 GLN 28 HT3 GLN 28 -9.040 5.364 -5.956 4 HA GLN 28 HA GLN 28 -9.659 3.308 -4.846 5 HB2 GLN 28 HB2 GLN 28 -10.289 2.454 -7.672 6 HB3 GLN 28 HB1 GLN 28 -10.082 1.328 -6.340 7 HG2 GLN 28 HG2 GLN 28 -11.941 2.440 -5.161 8 HG3 GLN 28 HG1 GLN 28 -12.179 3.471 -6.572 9 HE21 GLN 28 HE21 GLN 28 -11.267 0.096 -6.736 10 HE22 GLN 28 HE22 GLN 28 -12.748 -0.457 -7.443 11 H ALA 29 HN ALA 29 -7.422 3.943 -4.526 12 HA ALA 29 HA ALA 29 -5.638 2.039 -5.836 13 HB1 ALA 29 HB1 ALA 29 -5.303 4.141 -7.044 14 HB2 ALA 29 HB2 ALA 29 -3.875 3.712 -6.100 15 HB3 ALA 29 HB3 ALA 29 -4.972 4.964 -5.520 16 H VAL 30 HN VAL 30 -4.095 1.199 -4.447 17 HA VAL 30 HA VAL 30 -4.351 2.059 -1.661 18 HB VAL 30 HB VAL 30 -3.321 0.001 -1.001 19 HG11 VAL 30 HG11 VAL 30 -5.667 -0.174 -1.527 20 HG12 VAL 30 HG12 VAL 30 -4.846 -1.663 -1.994 21 HG13 VAL 30 HG13 VAL 30 -5.299 -0.483 -3.223 22 HG21 VAL 30 HG21 VAL 30 -1.613 -0.084 -2.782 23 HG22 VAL 30 HG22 VAL 30 -2.856 -0.631 -3.909 24 HG23 VAL 30 HG23 VAL 30 -2.424 -1.626 -2.519 25 H GLU 31 HN GLU 31 -2.590 2.736 -0.441 26 HA GLU 31 HA GLU 31 -0.233 3.489 -2.034 27 HB2 GLU 31 HB2 GLU 31 -1.603 5.051 0.157 28 HB3 GLU 31 HB1 GLU 31 -0.097 5.522 -0.620 29 HG2 GLU 31 HG2 GLU 31 -1.270 5.650 -2.774 30 HG3 GLU 31 HG1 GLU 31 -2.776 5.234 -1.961 31 H TYR 32 HN TYR 32 1.722 3.065 -1.227 32 HA TYR 32 HA TYR 32 1.881 2.082 1.546 33 HB2 TYR 32 HB2 TYR 32 3.186 0.951 -0.931 34 HB3 TYR 32 HB1 TYR 32 3.730 0.560 0.696 35 HD1 TYR 32 HD2 TYR 32 0.951 0.211 -1.703 36 HD2 TYR 32 HD1 TYR 32 2.517 -0.955 2.074 37 HE1 TYR 32 HE2 TYR 32 -0.715 -1.591 -1.578 38 HE2 TYR 32 HE1 TYR 32 0.854 -2.756 2.217 39 HH TYR 32 HH TYR 32 -1.245 -3.388 1.335 40 H ALA 33 HN ALA 33 3.677 2.651 2.713 41 HA ALA 33 HA ALA 33 5.628 4.398 1.378 42 HB1 ALA 33 HB1 ALA 33 3.994 5.775 2.595 43 HB2 ALA 33 HB2 ALA 33 5.621 5.911 3.262 44 HB3 ALA 33 HB3 ALA 33 4.410 4.925 4.083 45 H CYS 34 HN CYS 34 7.585 3.546 1.585 46 HA CYS 34 HA CYS 34 8.092 1.650 3.736 47 HB2 CYS 34 HB2 CYS 34 8.732 1.065 1.414 48 HB3 CYS 34 HB1 CYS 34 9.836 2.429 1.389 49 H GLU 35 HN GLU 35 10.139 1.761 4.897 50 HA GLU 35 HA GLU 35 10.504 4.290 6.134 51 HB2 GLU 35 HB2 GLU 35 12.317 3.130 7.385 52 HB3 GLU 35 HB1 GLU 35 10.781 2.278 7.428 53 HG2 GLU 35 HG2 GLU 35 11.548 0.695 5.794 54 HG3 GLU 35 HG1 GLU 35 13.040 1.604 5.560 55 H LYS 36 HN LYS 36 11.587 3.148 3.244 56 HA LYS 36 HA LYS 36 14.165 4.362 3.134 57 HB2 LYS 36 HB2 LYS 36 12.258 3.623 0.923 58 HB3 LYS 36 HB1 LYS 36 13.939 4.061 0.696 59 HG2 LYS 36 HG2 LYS 36 12.904 1.654 2.175 60 HG3 LYS 36 HG1 LYS 36 13.667 1.663 0.585 61 HD2 LYS 36 HD2 LYS 36 15.747 2.440 1.554 62 HD3 LYS 36 HD1 LYS 36 14.993 2.551 3.145 63 HE2 LYS 36 HE2 LYS 36 14.571 0.123 3.077 64 HE3 LYS 36 HE1 LYS 36 15.414 0.043 1.531 65 HZ1 LYS 36 HZ1 LYS 36 16.622 0.961 4.082 66 HZ2 LYS 36 HZ2 LYS 36 17.423 0.781 2.605 67 HZ3 LYS 36 HZ3 LYS 36 16.827 -0.578 3.413 68 H GLY 37 HN GLY 37 10.993 5.549 3.146 69 HA2 GLY 37 HA2 GLY 37 10.478 7.847 3.331 70 HA3 GLY 37 HA1 GLY 37 11.983 8.229 2.510 71 H HIS 38 HN HIS 38 10.584 5.761 0.858 72 HA HIS 38 HA HIS 38 9.486 7.645 -1.103 73 HB2 HIS 38 HB2 HIS 38 10.864 4.979 -1.392 74 HB3 HIS 38 HB1 HIS 38 9.887 5.645 -2.703 75 HD2 HIS 38 HD2 HIS 38 11.668 8.495 -1.052 76 HE1 HIS 38 HE1 HIS 38 14.210 7.204 -4.172 77 HE2 HIS 38 HE2 HIS 38 13.867 8.926 -2.351 78 H ARG 39 HN ARG 39 7.391 7.651 -1.440 79 HA ARG 39 HA ARG 39 5.759 5.388 -0.524 80 HB2 ARG 39 HB2 ARG 39 4.947 8.183 -1.358 81 HB3 ARG 39 HB1 ARG 39 3.841 6.933 -0.814 82 HG2 ARG 39 HG2 ARG 39 5.136 6.901 1.349 83 HG3 ARG 39 HG1 ARG 39 5.945 8.361 0.783 84 HD2 ARG 39 HD2 ARG 39 3.817 9.510 0.612 85 HD3 ARG 39 HD1 ARG 39 2.962 8.040 1.070 86 HE ARG 39 HE ARG 39 4.902 9.164 2.952 87 HH11 ARG 39 HH11 ARG 39 1.552 8.589 2.088 88 HH12 ARG 39 HH12 ARG 39 0.959 8.896 3.689 89 HH21 ARG 39 HH21 ARG 39 4.114 9.582 5.058 90 HH22 ARG 39 HH22 ARG 39 2.410 9.457 5.377 91 H PHE 40 HN PHE 40 4.084 4.559 -1.936 92 HA PHE 40 HA PHE 40 4.147 5.290 -4.725 93 HB2 PHE 40 HB2 PHE 40 4.698 2.995 -5.517 94 HB3 PHE 40 HB1 PHE 40 6.044 3.812 -4.736 95 HD1 PHE 40 HD2 PHE 40 6.689 3.152 -2.418 96 HD2 PHE 40 HD1 PHE 40 3.853 0.958 -4.709 97 HE1 PHE 40 HE2 PHE 40 6.995 1.218 -0.934 98 HE2 PHE 40 HE1 PHE 40 4.154 -0.984 -3.229 99 HZ PHE 40 HZ PHE 40 5.726 -0.855 -1.340 100 H GLU 41 HN GLU 41 2.536 4.244 -5.983 101 HA GLU 41 HA GLU 41 0.252 3.353 -4.353 102 HB2 GLU 41 HB2 GLU 41 0.211 4.410 -7.185 103 HB3 GLU 41 HB1 GLU 41 -1.161 4.189 -6.109 104 HG2 GLU 41 HG2 GLU 41 -0.524 6.012 -4.760 105 HG3 GLU 41 HG1 GLU 41 1.071 6.102 -5.505 106 H MET 42 HN MET 42 -0.865 1.472 -4.944 107 HA MET 42 HA MET 42 0.169 -0.011 -7.252 108 HB2 MET 42 HB2 MET 42 -0.043 -1.099 -4.439 109 HB3 MET 42 HB1 MET 42 0.105 -2.122 -5.865 110 HG2 MET 42 HG2 MET 42 2.219 -0.784 -6.386 111 HG3 MET 42 HG1 MET 42 2.103 -0.200 -4.728 112 HE1 MET 42 HE1 MET 42 2.294 -3.614 -2.748 113 HE2 MET 42 HE2 MET 42 0.847 -2.797 -3.336 114 HE3 MET 42 HE3 MET 42 2.144 -1.863 -2.592 115 HA PRO 43 HA PRO 43 -4.129 -0.853 -7.816 116 HB2 PRO 43 HB2 PRO 43 -3.996 -2.741 -9.711 117 HB3 PRO 43 HB1 PRO 43 -3.513 -1.072 -10.031 118 HG2 PRO 43 HG2 PRO 43 -1.815 -3.470 -9.505 119 HG3 PRO 43 HG1 PRO 43 -1.549 -2.131 -10.634 120 HD2 PRO 43 HD2 PRO 43 -0.370 -2.371 -8.135 121 HD3 PRO 43 HD1 PRO 43 -0.530 -0.859 -9.047 122 H PHE 44 HN PHE 44 -5.463 -1.918 -6.537 123 HA PHE 44 HA PHE 44 -5.141 -4.790 -6.139 124 HB2 PHE 44 HB2 PHE 44 -4.976 -2.731 -4.018 125 HB3 PHE 44 HB1 PHE 44 -6.003 -4.119 -3.657 126 HD1 PHE 44 HD2 PHE 44 -4.983 -6.436 -3.831 127 HD2 PHE 44 HD1 PHE 44 -2.664 -2.871 -3.860 128 HE1 PHE 44 HE2 PHE 44 -2.983 -7.735 -3.227 129 HE2 PHE 44 HE1 PHE 44 -0.662 -4.165 -3.256 130 HZ PHE 44 HZ PHE 44 -0.856 -6.646 -2.920 131 H SER 45 HN SER 45 -7.179 -5.445 -4.659 132 HA SER 45 HA SER 45 -9.501 -4.606 -6.183 133 HB2 SER 45 HB2 SER 45 -9.380 -6.605 -3.940 134 HB3 SER 45 HB1 SER 45 -10.594 -6.495 -5.210 135 HG SER 45 HG SER 45 -9.161 -8.157 -5.701 136 H VAL 46 HN VAL 46 -11.236 -3.517 -5.340 137 HA VAL 46 HA VAL 46 -10.759 -1.960 -2.968 138 HB VAL 46 HB VAL 46 -11.875 -1.159 -5.108 139 HG11 VAL 46 HG11 VAL 46 -14.321 -1.433 -5.237 140 HG12 VAL 46 HG12 VAL 46 -14.231 -2.609 -3.925 141 HG13 VAL 46 HG13 VAL 46 -13.439 -2.941 -5.464 142 HG21 VAL 46 HG21 VAL 46 -11.848 0.297 -3.239 143 HG22 VAL 46 HG22 VAL 46 -13.112 -0.624 -2.419 144 HG23 VAL 46 HG23 VAL 46 -13.499 0.309 -3.864 145 H GLU 47 HN GLU 47 -11.968 -4.980 -3.547 146 HA GLU 47 HA GLU 47 -13.657 -4.971 -1.143 147 HB2 GLU 47 HB2 GLU 47 -13.455 -6.971 -3.399 148 HB3 GLU 47 HB1 GLU 47 -14.467 -7.169 -1.976 149 HG2 GLU 47 HG2 GLU 47 -15.742 -5.193 -2.593 150 HG3 GLU 47 HG1 GLU 47 -14.716 -4.967 -4.011 151 H ALA 48 HN ALA 48 -10.562 -5.288 -1.695 152 HA ALA 48 HA ALA 48 -10.191 -7.860 -0.322 153 HB1 ALA 48 HB1 ALA 48 -9.002 -7.720 -2.415 154 HB2 ALA 48 HB2 ALA 48 -7.839 -7.692 -1.091 155 HB3 ALA 48 HB3 ALA 48 -8.251 -6.197 -1.932 156 H GLU 49 HN GLU 49 -9.128 -7.991 1.604 157 HA GLU 49 HA GLU 49 -8.794 -5.639 3.173 158 HB2 GLU 49 HB2 GLU 49 -7.856 -8.476 3.637 159 HB3 GLU 49 HB1 GLU 49 -7.728 -7.182 4.821 160 HG2 GLU 49 HG2 GLU 49 -10.202 -6.945 4.726 161 HG3 GLU 49 HG1 GLU 49 -10.246 -8.377 3.696 162 H ILE 50 HN ILE 50 -7.384 -4.278 2.195 163 HA ILE 50 HA ILE 50 -5.008 -4.949 0.901 164 HB ILE 50 HB ILE 50 -5.552 -2.328 2.317 165 HG12 ILE 50 HG12 ILE 50 -7.483 -2.827 0.953 166 HG13 ILE 50 HG11 ILE 50 -6.523 -1.606 0.125 167 HG21 ILE 50 HG21 ILE 50 -4.116 -1.368 0.621 168 HG22 ILE 50 HG22 ILE 50 -3.924 -2.945 -0.147 169 HG23 ILE 50 HG23 ILE 50 -3.261 -2.661 1.464 170 HD11 ILE 50 HD11 ILE 50 -5.581 -3.378 -1.312 171 HD12 ILE 50 HD12 ILE 50 -7.331 -3.222 -1.458 172 HD13 ILE 50 HD13 ILE 50 -6.640 -4.544 -0.520 173 HA PRO 51 HA PRO 51 -2.658 -6.400 4.412 174 HB2 PRO 51 HB2 PRO 51 -0.422 -5.993 2.497 175 HB3 PRO 51 HB1 PRO 51 -0.846 -7.424 3.444 176 HG2 PRO 51 HG2 PRO 51 -1.340 -7.329 0.831 177 HG3 PRO 51 HG1 PRO 51 -2.489 -8.088 1.948 178 HD2 PRO 51 HD2 PRO 51 -2.623 -5.421 0.607 179 HD3 PRO 51 HD1 PRO 51 -3.924 -6.577 0.958 180 HA PRO 52 HA PRO 52 -1.273 -2.486 6.063 181 HB2 PRO 52 HB2 PRO 52 0.021 -4.121 8.143 182 HB3 PRO 52 HB1 PRO 52 -1.245 -2.899 8.300 183 HG2 PRO 52 HG2 PRO 52 -1.770 -5.504 8.622 184 HG3 PRO 52 HG1 PRO 52 -2.938 -4.409 7.857 185 HD2 PRO 52 HD2 PRO 52 -1.056 -6.360 6.578 186 HD3 PRO 52 HD1 PRO 52 -2.757 -6.016 6.198 187 H GLU 53 HN GLU 53 0.665 -4.902 4.826 188 HA GLU 53 HA GLU 53 2.978 -3.174 4.673 189 HB2 GLU 53 HB2 GLU 53 4.412 -5.225 5.422 190 HB3 GLU 53 HB1 GLU 53 3.683 -4.195 6.648 191 HG2 GLU 53 HG2 GLU 53 1.862 -5.767 6.923 192 HG3 GLU 53 HG1 GLU 53 2.527 -6.786 5.651 193 H TRP 54 HN TRP 54 4.095 -3.527 2.785 194 HA TRP 54 HA TRP 54 3.666 -6.013 1.353 195 HB2 TRP 54 HB2 TRP 54 2.008 -3.906 0.774 196 HB3 TRP 54 HB1 TRP 54 3.285 -3.728 -0.424 197 HD1 TRP 54 HD1 TRP 54 0.513 -6.123 0.666 198 HE1 TRP 54 HE1 TRP 54 0.031 -7.770 -1.250 199 HE3 TRP 54 HE3 TRP 54 4.322 -4.839 -2.495 200 HZ2 TRP 54 HZ2 TRP 54 1.111 -8.433 -3.766 201 HZ3 TRP 54 HZ3 TRP 54 4.523 -6.028 -4.637 202 HH2 TRP 54 HH2 TRP 54 2.952 -7.790 -5.259 203 H GLU 55 HN GLU 55 5.070 -6.218 -0.534 204 HA GLU 55 HA GLU 55 7.696 -5.299 0.014 205 HB2 GLU 55 HB2 GLU 55 7.156 -7.478 -1.038 206 HB3 GLU 55 HB1 GLU 55 6.622 -6.626 -2.479 207 HG2 GLU 55 HG2 GLU 55 8.867 -5.768 -2.825 208 HG3 GLU 55 HG1 GLU 55 9.412 -6.572 -1.353 209 H CYS 56 HN CYS 56 8.857 -3.686 -0.841 210 HA CYS 56 HA CYS 56 7.447 -1.630 -2.304 211 HB2 CYS 56 HB2 CYS 56 8.758 -0.813 -0.516 212 HB3 CYS 56 HB1 CYS 56 10.143 -1.793 -0.973 213 H LYS 57 HN LYS 57 7.318 -1.798 -4.426 214 HA LYS 57 HA LYS 57 9.262 -3.160 -6.027 215 HB2 LYS 57 HB2 LYS 57 6.749 -1.642 -6.550 216 HB3 LYS 57 HB1 LYS 57 7.871 -1.854 -7.882 217 HG2 LYS 57 HG2 LYS 57 6.192 -3.560 -7.971 218 HG3 LYS 57 HG1 LYS 57 7.740 -4.295 -7.575 219 HD2 LYS 57 HD2 LYS 57 5.926 -3.516 -5.345 220 HD3 LYS 57 HD1 LYS 57 5.528 -4.949 -6.294 221 HE2 LYS 57 HE2 LYS 57 8.133 -4.446 -4.852 222 HE3 LYS 57 HE1 LYS 57 6.844 -5.518 -4.310 223 HZ1 LYS 57 HZ1 LYS 57 7.171 -6.816 -6.359 224 HZ2 LYS 57 HZ2 LYS 57 8.546 -6.802 -5.371 225 HZ3 LYS 57 HZ3 LYS 57 8.490 -5.836 -6.761 226 H VAL 58 HN VAL 58 9.141 -0.086 -4.665 227 HA VAL 58 HA VAL 58 10.272 1.376 -6.862 228 HB VAL 58 HB VAL 58 9.944 2.163 -3.963 229 HG11 VAL 58 HG11 VAL 58 10.283 4.460 -4.746 230 HG12 VAL 58 HG12 VAL 58 10.631 3.852 -6.366 231 HG13 VAL 58 HG13 VAL 58 11.706 3.457 -5.024 232 HG21 VAL 58 HG21 VAL 58 8.050 3.486 -4.785 233 HG22 VAL 58 HG22 VAL 58 7.819 1.759 -5.065 234 HG23 VAL 58 HG23 VAL 58 8.290 2.814 -6.397 235 H CYS 59 HN CYS 59 11.528 0.517 -3.608 236 HA CYS 59 HA CYS 59 14.210 1.017 -4.723 237 HB2 CYS 59 HB2 CYS 59 13.422 2.550 -2.907 238 HB3 CYS 59 HB1 CYS 59 13.384 1.166 -1.821 239 H GLY 60 HN GLY 60 12.484 -1.083 -2.394 240 HA2 GLY 60 HA2 GLY 60 12.959 -3.511 -3.013 241 HA3 GLY 60 HA1 GLY 60 14.643 -3.054 -2.815 242 H ALA 61 HN ALA 61 11.628 -2.663 -0.943 243 HA ALA 61 HA ALA 61 12.875 -3.960 1.334 244 HB1 ALA 61 HB1 ALA 61 13.635 -1.642 1.544 245 HB2 ALA 61 HB2 ALA 61 12.514 -2.065 2.838 246 HB3 ALA 61 HB3 ALA 61 11.962 -1.083 1.480 247 H GLN 62 HN GLN 62 11.142 -3.489 3.298 248 HA GLN 62 HA GLN 62 8.564 -4.313 2.182 249 HB2 GLN 62 HB2 GLN 62 9.588 -5.738 3.937 250 HB3 GLN 62 HB1 GLN 62 9.510 -4.383 5.055 251 HG2 GLN 62 HG2 GLN 62 7.076 -4.365 4.863 252 HG3 GLN 62 HG1 GLN 62 7.155 -5.725 3.743 253 HE21 GLN 62 HE21 GLN 62 5.965 -7.076 5.039 254 HE22 GLN 62 HE22 GLN 62 6.572 -7.724 6.524 255 H ALA 63 HN ALA 63 7.337 -2.632 1.710 256 HA ALA 63 HA ALA 63 7.506 -0.159 3.200 257 HB1 ALA 63 HB1 ALA 63 7.287 -0.171 0.745 258 HB2 ALA 63 HB2 ALA 63 5.986 0.714 1.539 259 HB3 ALA 63 HB3 ALA 63 5.694 -0.908 0.912 260 H LEU 64 HN LEU 64 5.925 0.683 4.511 261 HA LEU 64 HA LEU 64 3.903 -1.192 5.430 262 HB2 LEU 64 HB2 LEU 64 4.786 1.495 6.469 263 HB3 LEU 64 HB1 LEU 64 3.465 0.574 7.163 264 HG LEU 64 HG LEU 64 6.350 -0.306 7.037 265 HD11 LEU 64 HD11 LEU 64 5.976 1.479 8.644 266 HD12 LEU 64 HD12 LEU 64 6.285 -0.050 9.464 267 HD13 LEU 64 HD13 LEU 64 4.639 0.573 9.354 268 HD21 LEU 64 HD21 LEU 64 3.925 -1.649 8.233 269 HD22 LEU 64 HD22 LEU 64 5.593 -2.165 8.475 270 HD23 LEU 64 HD23 LEU 64 4.878 -2.222 6.864 271 H LEU 65 HN LEU 65 1.804 -0.971 5.165 272 HA LEU 65 HA LEU 65 0.812 0.569 3.010 273 HB2 LEU 65 HB2 LEU 65 -0.056 -1.617 3.588 274 HB3 LEU 65 HB1 LEU 65 -0.504 -1.051 5.180 275 HG LEU 65 HG LEU 65 -2.364 -1.420 3.485 276 HD11 LEU 65 HD11 LEU 65 -3.649 0.476 4.315 277 HD12 LEU 65 HD12 LEU 65 -2.163 1.235 4.882 278 HD13 LEU 65 HD13 LEU 65 -2.707 -0.283 5.596 279 HD21 LEU 65 HD21 LEU 65 -1.323 1.204 2.447 280 HD22 LEU 65 HD22 LEU 65 -2.851 0.447 1.995 281 HD23 LEU 65 HD23 LEU 65 -1.324 -0.333 1.584 282 H VAL 66 HN VAL 66 -0.059 2.568 2.990 283 HA VAL 66 HA VAL 66 -0.625 3.819 5.593 284 HB VAL 66 HB VAL 66 -0.081 6.022 4.463 285 HG11 VAL 66 HG11 VAL 66 1.434 4.965 6.055 286 HG12 VAL 66 HG12 VAL 66 2.337 5.763 4.766 287 HG13 VAL 66 HG13 VAL 66 2.149 4.010 4.755 288 HG21 VAL 66 HG21 VAL 66 -0.188 5.271 2.140 289 HG22 VAL 66 HG22 VAL 66 1.192 4.210 2.414 290 HG23 VAL 66 HG23 VAL 66 1.392 5.959 2.514 291 H ASP 67 HN ASP 67 -2.694 4.065 5.888 292 HA ASP 67 HA ASP 67 -4.894 4.496 5.612 293 HB2 ASP 67 HB2 ASP 67 -3.932 6.057 3.210 294 HB3 ASP 67 HB1 ASP 67 -5.584 6.088 3.815 295 H GLY 68 HN GLY 68 -4.973 2.172 5.218 296 HA2 GLY 68 HA2 GLY 68 -6.504 1.638 2.818 297 HA3 GLY 68 HA1 GLY 68 -4.991 0.754 2.927 298 H ASP 69 HN ASP 69 -4.906 -1.048 4.118 299 HA ASP 69 HA ASP 69 -5.421 -2.728 5.539 300 HB2 ASP 69 HB2 ASP 69 -7.328 -0.727 6.757 301 HB3 ASP 69 HB1 ASP 69 -7.055 -2.342 7.401 302 H GLY 70 HN GLY 70 -8.231 -1.038 4.250 303 HA2 GLY 70 HA2 GLY 70 -9.273 -3.620 3.333 304 HA3 GLY 70 HA1 GLY 70 -10.329 -2.573 4.273 305 HA PRO 71 HA PRO 71 -11.248 -0.270 0.585 306 HB2 PRO 71 HB2 PRO 71 -11.224 2.314 1.360 307 HB3 PRO 71 HB1 PRO 71 -12.485 1.187 1.865 308 HG2 PRO 71 HG2 PRO 71 -10.071 2.125 3.365 309 HG3 PRO 71 HG1 PRO 71 -11.734 1.903 3.944 310 HD2 PRO 71 HD2 PRO 71 -9.754 0.090 4.382 311 HD3 PRO 71 HD1 PRO 71 -11.464 -0.360 4.233 312 H GLU 72 HN GLU 72 -10.346 0.864 -1.130 313 HA GLU 72 HA GLU 72 -7.540 1.679 -0.795 314 HB2 GLU 72 HB2 GLU 72 -7.339 1.278 -3.268 315 HB3 GLU 72 HB1 GLU 72 -7.619 -0.167 -2.308 316 HG2 GLU 72 HG2 GLU 72 -9.924 -0.221 -2.967 317 HG3 GLU 72 HG1 GLU 72 -9.763 1.318 -3.806 318 H GLU 73 HN GLU 73 -7.225 3.771 -0.846 319 HA GLU 73 HA GLU 73 -7.490 5.996 -1.151 320 HB2 GLU 73 HB2 GLU 73 -7.220 5.450 -3.529 321 HB3 GLU 73 HB1 GLU 73 -8.948 5.155 -3.665 322 HG2 GLU 73 HG2 GLU 73 -8.400 7.318 -4.566 323 HG3 GLU 73 HG1 GLU 73 -9.379 7.504 -3.113 324 H LYS 74 HN LYS 74 -8.783 6.072 0.713 325 HA LYS 74 HA LYS 74 -11.504 6.949 0.185 326 HB2 LYS 74 HB2 LYS 74 -11.604 4.492 0.641 327 HB3 LYS 74 HB1 LYS 74 -10.912 4.799 2.226 328 HG2 LYS 74 HG2 LYS 74 -12.849 6.081 2.873 329 HG3 LYS 74 HG1 LYS 74 -13.528 5.926 1.249 330 HD2 LYS 74 HD2 LYS 74 -13.630 3.497 1.529 331 HD3 LYS 74 HD1 LYS 74 -12.966 3.655 3.154 332 HE2 LYS 74 HE2 LYS 74 -14.916 4.966 3.825 333 HE3 LYS 74 HE1 LYS 74 -15.571 4.828 2.194 334 HZ1 LYS 74 HZ1 LYS 74 -15.050 2.563 4.039 335 HZ2 LYS 74 HZ2 LYS 74 -15.688 2.435 2.479 336 HZ3 LYS 74 HZ3 LYS 74 -16.568 3.219 3.691 337 H LYS 75 HN LYS 75 -8.692 6.756 2.210 338 HA LYS 75 HA LYS 75 -9.827 8.788 4.001 339 HB2 LYS 75 HB2 LYS 75 -7.461 6.943 4.358 340 HB3 LYS 75 HB1 LYS 75 -7.904 8.210 5.492 341 HG2 LYS 75 HG2 LYS 75 -10.044 7.119 5.893 342 HG3 LYS 75 HG1 LYS 75 -9.621 5.857 4.736 343 HD2 LYS 75 HD2 LYS 75 -7.770 5.152 6.124 344 HD3 LYS 75 HD1 LYS 75 -8.066 6.482 7.245 345 HE2 LYS 75 HE2 LYS 75 -10.247 5.543 7.794 346 HE3 LYS 75 HE1 LYS 75 -9.982 4.231 6.648 347 HZ1 LYS 75 HZ1 LYS 75 -9.515 3.558 8.927 348 HZ2 LYS 75 HZ2 LYS 75 -8.330 4.753 9.059 349 HZ3 LYS 75 HZ3 LYS 75 -8.124 3.476 7.972
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