NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631422 | 6e25 | 30491 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 7.786 14.563 17.661 2 H2 MET 1 HT2 MET 1 6.377 14.662 16.735 3 H3 MET 1 HT3 MET 1 7.813 15.337 16.158 4 HA MET 1 HA MET 1 7.280 13.253 15.056 5 HB2 MET 1 HB2 MET 1 9.650 14.001 15.324 6 HB3 MET 1 HB1 MET 1 9.758 13.099 16.828 7 HG2 MET 1 HG2 MET 1 9.366 10.999 15.572 8 HG3 MET 1 HG1 MET 1 9.312 11.921 14.072 9 HE1 MET 1 HE1 MET 1 11.758 12.409 17.193 10 HE2 MET 1 HE2 MET 1 13.120 11.420 16.667 11 HE3 MET 1 HE3 MET 1 11.571 10.663 17.047 12 H SER 2 H SER 2 5.906 11.595 15.404 13 HA SER 2 HA SER 2 5.586 10.311 18.011 14 HB2 SER 2 HB3 SER 2 3.663 9.161 16.939 15 HB3 SER 2 HB2 SER 2 3.582 10.903 16.682 16 HG SER 2 HG SER 2 3.160 9.810 14.752 17 H ASP 3 H ASP 3 5.627 7.946 18.249 18 HA ASP 3 HA ASP 3 8.066 6.838 17.208 19 HB2 ASP 3 HB3 ASP 3 7.301 6.529 19.560 20 HB3 ASP 3 HB2 ASP 3 5.947 5.559 18.983 21 H TYR 4 H TYR 4 4.748 5.398 17.162 22 HA TYR 4 HA TYR 4 5.285 4.289 14.459 23 HB2 TYR 4 HB2 TYR 4 3.666 3.063 16.744 24 HB3 TYR 4 HB1 TYR 4 3.619 2.458 15.092 25 HD1 TYR 4 HD1 TYR 4 6.129 2.012 14.075 26 HD2 TYR 4 HD2 TYR 4 5.060 1.859 18.211 27 HE1 TYR 4 HE1 TYR 4 8.041 0.533 14.515 28 HE2 TYR 4 HE2 TYR 4 6.979 0.386 18.649 29 HH TYR 4 HH TYR 4 9.485 -0.092 16.440 30 H GLU 5 H GLU 5 3.279 3.836 13.202 31 HA GLU 5 HA GLU 5 1.248 5.966 13.502 32 HB2 GLU 5 HB3 GLU 5 0.575 5.161 11.109 33 HB3 GLU 5 HB2 GLU 5 2.045 6.092 11.306 34 HG2 GLU 5 HG3 GLU 5 2.329 4.275 9.690 35 HG3 GLU 5 HG2 GLU 5 3.409 4.082 11.068 36 H ASN 6 H ASN 6 -1.023 5.440 13.048 37 HA ASN 6 HA ASN 6 -1.868 2.738 13.949 38 HB2 ASN 6 HB3 ASN 6 -3.390 5.388 13.997 39 HB3 ASN 6 HB2 ASN 6 -4.014 3.848 14.576 40 HD21 ASN 6 HD21 ASN 6 -1.510 3.027 15.871 41 HD22 ASN 6 HD22 ASN 6 -1.354 4.025 17.266 42 H ASP 7 H ASP 7 -1.073 3.700 11.171 43 HA ASP 7 HA ASP 7 -3.524 3.809 9.632 44 HB2 ASP 7 HB3 ASP 7 -0.581 3.909 8.860 45 HB3 ASP 7 HB2 ASP 7 -1.879 3.910 7.660 46 H ASP 8 H ASP 8 -1.977 1.212 10.966 47 HA ASP 8 HA ASP 8 -2.239 -0.852 9.150 48 HB2 ASP 8 HB3 ASP 8 -2.945 -2.261 11.136 49 HB3 ASP 8 HB2 ASP 8 -1.470 -1.332 11.367 50 H GLU 9 H GLU 9 -4.840 0.918 10.822 51 HA GLU 9 HA GLU 9 -7.111 -0.428 9.902 52 HB2 GLU 9 HB3 GLU 9 -6.694 2.562 10.338 53 HB3 GLU 9 HB2 GLU 9 -8.269 1.803 10.127 54 HG2 GLU 9 HG3 GLU 9 -6.337 1.228 12.399 55 HG3 GLU 9 HG2 GLU 9 -7.739 2.293 12.492 56 H CYS 10 H CYS 10 -5.361 2.278 8.326 57 HA CYS 10 HA CYS 10 -7.017 2.620 6.077 58 HB2 CYS 10 HB3 CYS 10 -4.059 3.277 6.376 59 HB3 CYS 10 HB2 CYS 10 -5.123 3.932 5.132 60 H TRP 11 H TRP 11 -4.071 0.655 6.481 61 HA TRP 11 HA TRP 11 -3.971 -0.133 3.689 62 HB2 TRP 11 HB2 TRP 11 -2.186 -0.832 6.061 63 HB3 TRP 11 HB1 TRP 11 -1.885 -1.358 4.404 64 HD1 TRP 11 HD1 TRP 11 -1.641 1.771 6.616 65 HE1 TRP 11 HE1 TRP 11 -0.396 3.605 5.327 66 HE3 TRP 11 HE3 TRP 11 -1.443 -0.468 2.046 67 HZ2 TRP 11 HZ2 TRP 11 0.517 4.056 2.724 68 HZ3 TRP 11 HZ3 TRP 11 -0.374 0.745 0.188 69 HH2 TRP 11 HH2 TRP 11 0.584 2.963 0.524 70 H SER 12 H SER 12 -5.142 -1.606 6.684 71 HA SER 12 HA SER 12 -5.414 -4.272 5.620 72 HB2 SER 12 HB3 SER 12 -6.778 -2.946 7.990 73 HB3 SER 12 HB2 SER 12 -7.018 -4.639 7.550 74 HG SER 12 HG SER 12 -4.528 -3.421 8.193 75 H VAL 13 H VAL 13 -7.427 -1.384 5.457 76 HA VAL 13 HA VAL 13 -9.752 -2.554 4.305 77 HB VAL 13 HB VAL 13 -8.557 0.232 3.946 78 HG11 VAL 13 HG11 VAL 13 -11.316 -0.728 3.081 79 HG12 VAL 13 HG12 VAL 13 -10.001 -0.242 2.011 80 HG13 VAL 13 HG13 VAL 13 -10.759 0.950 3.062 81 HG21 VAL 13 HG21 VAL 13 -9.271 -0.279 6.259 82 HG22 VAL 13 HG22 VAL 13 -10.884 -0.696 5.678 83 HG23 VAL 13 HG23 VAL 13 -10.296 0.962 5.534 84 H LEU 14 H LEU 14 -6.719 -1.328 2.868 85 HA LEU 14 HA LEU 14 -7.367 -1.762 0.146 86 HB2 LEU 14 HB3 LEU 14 -4.633 -1.730 1.463 87 HB3 LEU 14 HB2 LEU 14 -4.920 -1.635 -0.271 88 HG LEU 14 HG LEU 14 -5.654 0.446 1.825 89 HD11 LEU 14 HD11 LEU 14 -4.120 1.895 0.585 90 HD12 LEU 14 HD12 LEU 14 -3.743 0.575 -0.525 91 HD13 LEU 14 HD13 LEU 14 -3.307 0.451 1.181 92 HD21 LEU 14 HD21 LEU 14 -6.550 1.824 -0.023 93 HD22 LEU 14 HD22 LEU 14 -7.487 0.355 0.219 94 HD23 LEU 14 HD23 LEU 14 -6.357 0.463 -1.134 95 H GLU 15 H GLU 15 -6.073 -3.957 2.611 96 HA GLU 15 HA GLU 15 -5.479 -6.209 1.072 97 HB2 GLU 15 HB3 GLU 15 -5.037 -6.204 3.454 98 HB3 GLU 15 HB2 GLU 15 -6.740 -6.013 3.836 99 HG2 GLU 15 HG3 GLU 15 -5.930 -8.301 4.284 100 HG3 GLU 15 HG2 GLU 15 -7.221 -8.274 3.083 101 H GLY 16 H GLY 16 -8.669 -5.112 2.283 102 HA2 GLY 16 HA3 GLY 16 -10.301 -7.140 1.209 103 HA3 GLY 16 HA2 GLY 16 -10.810 -5.497 1.552 104 H PHE 17 H PHE 17 -8.605 -4.597 -0.452 105 HA PHE 17 HA PHE 17 -10.135 -5.066 -2.956 106 HB2 PHE 17 HB2 PHE 17 -8.315 -2.744 -2.149 107 HB3 PHE 17 HB1 PHE 17 -9.043 -2.926 -3.742 108 HD1 PHE 17 HD1 PHE 17 -11.567 -2.871 -3.962 109 HD2 PHE 17 HD2 PHE 17 -9.567 -1.746 -0.350 110 HE1 PHE 17 HE1 PHE 17 -13.576 -1.680 -3.212 111 HE2 PHE 17 HE2 PHE 17 -11.593 -0.552 0.391 112 HZ PHE 17 HZ PHE 17 -13.599 -0.525 -1.041 113 H ARG 18 H ARG 18 -7.377 -6.237 -1.482 114 HA ARG 18 HA ARG 18 -5.227 -5.631 -3.165 115 HB2 ARG 18 HB3 ARG 18 -4.884 -6.603 -0.950 116 HB3 ARG 18 HB2 ARG 18 -5.627 -8.116 -1.454 117 HG2 ARG 18 HG3 ARG 18 -3.784 -8.553 -3.001 118 HG3 ARG 18 HG2 ARG 18 -3.064 -6.987 -2.632 119 HD2 ARG 18 HD3 ARG 18 -1.880 -8.806 -1.494 120 HD3 ARG 18 HD2 ARG 18 -2.631 -7.717 -0.326 121 HE ARG 18 HE ARG 18 -4.445 -9.420 -0.159 122 HH11 ARG 18 HH11 ARG 18 -1.321 -10.507 -1.190 123 HH12 ARG 18 HH12 ARG 18 -1.539 -12.067 -0.482 124 HH21 ARG 18 HH21 ARG 18 -4.680 -11.394 0.731 125 HH22 ARG 18 HH22 ARG 18 -3.411 -12.559 0.588 126 H VAL 19 H VAL 19 -7.553 -8.292 -3.441 127 HA VAL 19 HA VAL 19 -6.465 -9.806 -5.500 128 HB VAL 19 HB VAL 19 -8.830 -10.458 -6.090 129 HG11 VAL 19 HG11 VAL 19 -8.224 -10.420 -3.107 130 HG12 VAL 19 HG12 VAL 19 -7.663 -11.629 -4.262 131 HG13 VAL 19 HG13 VAL 19 -9.384 -11.486 -3.905 132 HG21 VAL 19 HG21 VAL 19 -9.947 -8.281 -5.734 133 HG22 VAL 19 HG22 VAL 19 -9.619 -8.381 -4.003 134 HG23 VAL 19 HG23 VAL 19 -10.715 -9.539 -4.762 135 H THR 20 H THR 20 -8.240 -6.741 -5.789 136 HA THR 20 HA THR 20 -8.132 -6.728 -8.711 137 HB THR 20 HB THR 20 -9.098 -4.517 -6.837 138 HG1 THR 20 HG1 THR 20 -10.431 -6.768 -7.957 139 HG21 THR 20 HG21 THR 20 -10.389 -3.740 -8.796 140 HG22 THR 20 HG22 THR 20 -9.681 -5.015 -9.788 141 HG23 THR 20 HG23 THR 20 -8.658 -3.727 -9.146 142 H LEU 21 H LEU 21 -6.718 -4.885 -5.991 143 HA LEU 21 HA LEU 21 -5.378 -2.856 -7.332 144 HB2 LEU 21 HB3 LEU 21 -4.572 -4.262 -4.759 145 HB3 LEU 21 HB2 LEU 21 -3.861 -2.754 -5.317 146 HG LEU 21 HG LEU 21 -6.768 -3.160 -4.510 147 HD11 LEU 21 HD11 LEU 21 -4.532 -1.676 -3.090 148 HD12 LEU 21 HD12 LEU 21 -5.268 -3.200 -2.584 149 HD13 LEU 21 HD13 LEU 21 -6.227 -1.723 -2.591 150 HD21 LEU 21 HD21 LEU 21 -6.987 -0.716 -4.762 151 HD22 LEU 21 HD22 LEU 21 -6.623 -1.502 -6.293 152 HD23 LEU 21 HD23 LEU 21 -5.353 -0.633 -5.426 153 H THR 22 H THR 22 -4.050 -6.015 -6.316 154 HA THR 22 HA THR 22 -1.443 -5.559 -7.402 155 HB THR 22 HB THR 22 -0.998 -7.933 -6.876 156 HG1 THR 22 HG1 THR 22 -3.330 -8.540 -5.641 157 HG21 THR 22 HG21 THR 22 -2.551 -6.518 -4.683 158 HG22 THR 22 HG22 THR 22 -0.836 -6.299 -5.046 159 HG23 THR 22 HG23 THR 22 -1.419 -7.853 -4.448 160 H SER 23 H SER 23 -4.371 -6.564 -8.864 161 HA SER 23 HA SER 23 -3.133 -7.956 -11.122 162 HB2 SER 23 HB3 SER 23 -5.300 -8.763 -10.223 163 HB3 SER 23 HB2 SER 23 -6.055 -7.221 -10.622 164 HG SER 23 HG SER 23 -6.518 -8.546 -12.299 165 H VAL 24 H VAL 24 -4.707 -4.827 -10.459 166 HA VAL 24 HA VAL 24 -4.664 -4.041 -13.293 167 HB VAL 24 HB VAL 24 -5.847 -2.575 -10.892 168 HG11 VAL 24 HG11 VAL 24 -5.362 -1.006 -12.731 169 HG12 VAL 24 HG12 VAL 24 -7.103 -1.230 -12.564 170 HG13 VAL 24 HG13 VAL 24 -6.231 -2.040 -13.868 171 HG21 VAL 24 HG21 VAL 24 -7.228 -4.325 -12.967 172 HG22 VAL 24 HG22 VAL 24 -8.036 -3.417 -11.687 173 HG23 VAL 24 HG23 VAL 24 -6.953 -4.747 -11.275 174 H ILE 25 H ILE 25 -3.260 -2.907 -10.201 175 HA ILE 25 HA ILE 25 -2.054 -0.530 -11.281 176 HB ILE 25 HB ILE 25 -1.408 -2.001 -8.684 177 HG12 ILE 25 HG12 ILE 25 -3.248 0.400 -9.108 178 HG13 ILE 25 HG11 ILE 25 -3.800 -1.255 -8.870 179 HG21 ILE 25 HG21 ILE 25 -0.426 0.138 -7.894 180 HG22 ILE 25 HG22 ILE 25 -0.705 0.855 -9.481 181 HG23 ILE 25 HG23 ILE 25 0.433 -0.482 -9.307 182 HD11 ILE 25 HD11 ILE 25 -2.261 0.396 -6.868 183 HD12 ILE 25 HD12 ILE 25 -2.821 -1.263 -6.631 184 HD13 ILE 25 HD13 ILE 25 -3.987 0.042 -6.839 185 H ASP 26 H ASP 26 -0.231 -0.429 -12.491 186 HA ASP 26 HA ASP 26 1.810 -2.494 -12.505 187 HB2 ASP 26 HB3 ASP 26 1.742 0.270 -13.783 188 HB3 ASP 26 HB2 ASP 26 3.015 -0.919 -14.033 189 HA PRO 27 HA PRO 27 3.575 -0.358 -8.832 190 HB2 PRO 27 HB3 PRO 27 5.392 -2.263 -8.110 191 HB3 PRO 27 HB2 PRO 27 3.656 -2.473 -7.834 192 HG2 PRO 27 HG3 PRO 27 5.363 -3.570 -10.070 193 HG3 PRO 27 HG2 PRO 27 4.134 -4.403 -9.093 194 HD2 PRO 27 HD3 PRO 27 3.617 -3.428 -11.599 195 HD3 PRO 27 HD2 PRO 27 2.370 -3.534 -10.339 196 H SER 28 H SER 28 5.521 -1.789 -11.423 197 HA SER 28 HA SER 28 7.940 -0.336 -10.930 198 HB2 SER 28 HB3 SER 28 7.015 -1.987 -13.315 199 HB3 SER 28 HB2 SER 28 8.647 -1.347 -13.123 200 HG SER 28 HG SER 28 8.906 -3.236 -12.190 201 H ARG 29 H ARG 29 5.063 0.278 -12.782 202 HA ARG 29 HA ARG 29 6.023 2.170 -14.671 203 HB2 ARG 29 HB3 ARG 29 3.727 0.955 -14.555 204 HB3 ARG 29 HB2 ARG 29 3.237 2.202 -13.424 205 HG2 ARG 29 HG3 ARG 29 2.398 2.918 -15.506 206 HG3 ARG 29 HG2 ARG 29 3.865 3.882 -15.284 207 HD2 ARG 29 HD3 ARG 29 3.685 2.973 -17.585 208 HD3 ARG 29 HD2 ARG 29 5.121 2.365 -16.748 209 HE ARG 29 HE ARG 29 2.738 0.676 -16.611 210 HH11 ARG 29 HH11 ARG 29 5.706 1.236 -18.308 211 HH12 ARG 29 HH12 ARG 29 5.773 -0.386 -18.894 212 HH21 ARG 29 HH21 ARG 29 2.886 -1.389 -17.371 213 HH22 ARG 29 HH22 ARG 29 4.215 -1.834 -18.377 214 H ILE 30 H ILE 30 4.710 2.448 -11.404 215 HA ILE 30 HA ILE 30 4.787 5.391 -11.464 216 HB ILE 30 HB ILE 30 3.276 5.310 -9.533 217 HG12 ILE 30 HG12 ILE 30 3.469 2.254 -9.679 218 HG13 ILE 30 HG11 ILE 30 4.243 3.242 -8.445 219 HG21 ILE 30 HG21 ILE 30 1.304 4.250 -10.603 220 HG22 ILE 30 HG22 ILE 30 2.364 3.400 -11.729 221 HG23 ILE 30 HG23 ILE 30 2.259 5.161 -11.776 222 HD11 ILE 30 HD11 ILE 30 2.250 2.256 -7.566 223 HD12 ILE 30 HD12 ILE 30 1.283 2.908 -8.887 224 HD13 ILE 30 HD13 ILE 30 2.012 4.002 -7.703 225 H THR 31 H THR 31 7.133 3.333 -10.792 226 HA THR 31 HA THR 31 7.889 3.662 -8.110 227 HB THR 31 HB THR 31 10.281 3.219 -8.902 228 HG1 THR 31 HG1 THR 31 10.663 3.478 -10.935 229 HG21 THR 31 HG21 THR 31 9.865 0.869 -9.538 230 HG22 THR 31 HG22 THR 31 8.152 1.245 -9.759 231 HG23 THR 31 HG23 THR 31 8.881 1.367 -8.156 232 HA PRO 32 HA PRO 32 10.484 7.676 -9.239 233 HB2 PRO 32 HB3 PRO 32 9.750 9.166 -11.414 234 HB3 PRO 32 HB2 PRO 32 10.948 7.868 -11.514 235 HG2 PRO 32 HG3 PRO 32 8.004 7.767 -12.197 236 HG3 PRO 32 HG2 PRO 32 9.390 7.180 -13.143 237 HD2 PRO 32 HD3 PRO 32 7.909 5.497 -11.630 238 HD3 PRO 32 HD2 PRO 32 9.663 5.275 -11.810 239 H TYR 33 H TYR 33 7.032 7.496 -10.003 240 HA TYR 33 HA TYR 33 6.252 10.061 -9.042 241 HB2 TYR 33 HB2 TYR 33 4.852 8.672 -10.591 242 HB3 TYR 33 HB1 TYR 33 4.580 7.510 -9.295 243 HD1 TYR 33 HD1 TYR 33 2.597 7.765 -7.965 244 HD2 TYR 33 HD2 TYR 33 4.188 11.163 -10.035 245 HE1 TYR 33 HE1 TYR 33 0.690 9.142 -7.208 246 HE2 TYR 33 HE2 TYR 33 2.292 12.516 -9.287 247 HH TYR 33 HH TYR 33 0.297 11.693 -6.830 248 H LEU 34 H LEU 34 6.386 6.828 -7.544 249 HA LEU 34 HA LEU 34 5.324 7.592 -5.011 250 HB2 LEU 34 HB3 LEU 34 7.017 5.181 -5.761 251 HB3 LEU 34 HB2 LEU 34 6.221 5.399 -4.208 252 HG LEU 34 HG LEU 34 4.851 5.019 -6.900 253 HD11 LEU 34 HD11 LEU 34 4.979 3.195 -4.474 254 HD12 LEU 34 HD12 LEU 34 5.818 2.963 -6.010 255 HD13 LEU 34 HD13 LEU 34 4.060 2.896 -5.954 256 HD21 LEU 34 HD21 LEU 34 3.561 5.467 -4.181 257 HD22 LEU 34 HD22 LEU 34 2.714 5.026 -5.667 258 HD23 LEU 34 HD23 LEU 34 3.532 6.580 -5.553 259 H ARG 35 H ARG 35 8.701 7.217 -6.226 260 HA ARG 35 HA ARG 35 9.957 8.002 -3.778 261 HB2 ARG 35 HB3 ARG 35 10.970 8.105 -6.630 262 HB3 ARG 35 HB2 ARG 35 11.956 8.567 -5.242 263 HG2 ARG 35 HG3 ARG 35 11.548 6.239 -4.301 264 HG3 ARG 35 HG2 ARG 35 10.809 5.825 -5.855 265 HD2 ARG 35 HD3 ARG 35 13.667 6.756 -5.402 266 HD3 ARG 35 HD2 ARG 35 13.142 5.120 -5.810 267 HE ARG 35 HE ARG 35 12.342 6.027 -7.947 268 HH11 ARG 35 HH11 ARG 35 14.726 7.911 -6.295 269 HH12 ARG 35 HH12 ARG 35 15.313 8.613 -7.757 270 HH21 ARG 35 HH21 ARG 35 13.136 6.895 -9.783 271 HH22 ARG 35 HH22 ARG 35 14.418 8.052 -9.703 272 H GLN 36 H GLN 36 8.715 9.909 -6.518 273 HA GLN 36 HA GLN 36 9.663 12.459 -5.737 274 HB2 GLN 36 HB3 GLN 36 8.672 11.974 -7.972 275 HB3 GLN 36 HB2 GLN 36 7.093 11.756 -7.237 276 HG2 GLN 36 HG3 GLN 36 8.576 14.387 -7.024 277 HG3 GLN 36 HG2 GLN 36 7.615 13.993 -8.446 278 HE21 GLN 36 HE21 GLN 36 7.315 16.065 -6.296 279 HE22 GLN 36 HE22 GLN 36 5.700 15.868 -5.726 280 H CYS 37 H CYS 37 6.707 10.689 -4.872 281 HA CYS 37 HA CYS 37 5.708 12.615 -2.988 282 HB2 CYS 37 HB3 CYS 37 5.053 9.663 -3.315 283 HB3 CYS 37 HB2 CYS 37 4.116 10.820 -2.377 284 HG CYS 37 HG CYS 37 2.488 10.999 -4.377 285 H LYS 38 H LYS 38 8.381 10.590 -2.812 286 HA LYS 38 HA LYS 38 9.797 9.846 -1.242 287 HB2 LYS 38 HB3 LYS 38 8.383 11.951 0.441 288 HB3 LYS 38 HB2 LYS 38 9.833 11.104 0.975 289 HG2 LYS 38 HG3 LYS 38 9.618 12.887 -1.482 290 HG3 LYS 38 HG2 LYS 38 10.388 13.312 0.053 291 HD2 LYS 38 HD3 LYS 38 12.061 11.526 -0.278 292 HD3 LYS 38 HD2 LYS 38 11.274 11.047 -1.783 293 HE2 LYS 38 HE3 LYS 38 11.807 13.291 -2.735 294 HE3 LYS 38 HE2 LYS 38 12.671 13.690 -1.245 295 HZ1 LYS 38 HZ1 LYS 38 13.331 11.465 -3.101 296 HZ2 LYS 38 HZ2 LYS 38 14.145 11.813 -1.660 297 HZ3 LYS 38 HZ3 LYS 38 14.184 12.917 -2.937 298 H VAL 39 H VAL 39 7.305 8.411 -1.567 299 HA VAL 39 HA VAL 39 6.954 7.132 1.069 300 HB VAL 39 HB VAL 39 4.873 6.199 0.278 301 HG11 VAL 39 HG11 VAL 39 5.058 9.138 -0.507 302 HG12 VAL 39 HG12 VAL 39 4.780 8.508 1.119 303 HG13 VAL 39 HG13 VAL 39 3.567 8.265 -0.136 304 HG21 VAL 39 HG21 VAL 39 3.958 6.606 -1.998 305 HG22 VAL 39 HG22 VAL 39 5.456 5.677 -2.059 306 HG23 VAL 39 HG23 VAL 39 5.471 7.393 -2.460 307 H LEU 40 H LEU 40 8.419 6.585 -2.026 308 HA LEU 40 HA LEU 40 8.933 3.736 -1.334 309 HB2 LEU 40 HB3 LEU 40 7.832 4.198 -3.577 310 HB3 LEU 40 HB2 LEU 40 9.290 5.048 -4.052 311 HG LEU 40 HG LEU 40 10.595 2.923 -3.775 312 HD11 LEU 40 HD11 LEU 40 9.160 1.768 -2.168 313 HD12 LEU 40 HD12 LEU 40 9.400 0.784 -3.609 314 HD13 LEU 40 HD13 LEU 40 7.875 1.642 -3.375 315 HD21 LEU 40 HD21 LEU 40 9.812 3.631 -5.990 316 HD22 LEU 40 HD22 LEU 40 8.286 2.778 -5.743 317 HD23 LEU 40 HD23 LEU 40 9.798 1.873 -5.850 318 H ASN 41 H ASN 41 11.036 3.006 -1.191 319 HA ASN 41 HA ASN 41 13.183 4.976 -0.907 320 HB2 ASN 41 HB3 ASN 41 13.228 1.965 -0.404 321 HB3 ASN 41 HB2 ASN 41 14.467 3.117 0.087 322 HD21 ASN 41 HD21 ASN 41 11.385 1.761 0.822 323 HD22 ASN 41 HD22 ASN 41 11.140 2.576 2.324 324 HA PRO 42 HA PRO 42 15.211 4.241 -4.878 325 HB2 PRO 42 HB3 PRO 42 17.905 4.133 -4.115 326 HB3 PRO 42 HB2 PRO 42 16.985 5.627 -4.338 327 HG2 PRO 42 HG3 PRO 42 17.549 4.110 -1.791 328 HG3 PRO 42 HG2 PRO 42 17.658 5.860 -2.096 329 HD2 PRO 42 HD3 PRO 42 15.535 4.849 -0.827 330 HD3 PRO 42 HD2 PRO 42 15.308 6.140 -2.030 331 H ASP 43 H ASP 43 16.349 2.161 -2.197 332 HA ASP 43 HA ASP 43 17.423 0.040 -3.755 333 HB2 ASP 43 HB3 ASP 43 16.323 -0.038 -0.911 334 HB3 ASP 43 HB2 ASP 43 17.407 -1.230 -1.629 335 H ASP 44 H ASP 44 14.227 0.556 -2.279 336 HA ASP 44 HA ASP 44 13.075 -1.910 -3.110 337 HB2 ASP 44 HB3 ASP 44 11.785 0.697 -2.202 338 HB3 ASP 44 HB2 ASP 44 10.868 -0.774 -2.546 339 H GLU 45 H GLU 45 13.307 1.275 -4.700 340 HA GLU 45 HA GLU 45 11.596 0.728 -6.888 341 HB2 GLU 45 HB3 GLU 45 12.455 3.012 -6.586 342 HB3 GLU 45 HB2 GLU 45 14.111 2.462 -6.851 343 HG2 GLU 45 HG3 GLU 45 13.541 1.817 -9.163 344 HG3 GLU 45 HG2 GLU 45 11.879 2.316 -8.895 345 H GLU 46 H GLU 46 15.121 0.200 -6.541 346 HA GLU 46 HA GLU 46 15.698 -1.095 -8.940 347 HB2 GLU 46 HB3 GLU 46 16.887 -1.582 -6.176 348 HB3 GLU 46 HB2 GLU 46 17.595 -2.179 -7.673 349 HG2 GLU 46 HG3 GLU 46 17.216 0.747 -6.956 350 HG3 GLU 46 HG2 GLU 46 18.723 -0.155 -6.812 351 H GLN 47 H GLN 47 14.405 -2.455 -5.931 352 HA GLN 47 HA GLN 47 14.532 -5.205 -6.731 353 HB2 GLN 47 HB3 GLN 47 14.613 -4.376 -4.367 354 HB3 GLN 47 HB2 GLN 47 12.909 -3.949 -4.481 355 HG2 GLN 47 HG3 GLN 47 12.312 -6.305 -4.767 356 HG3 GLN 47 HG2 GLN 47 14.016 -6.759 -4.786 357 HE21 GLN 47 HE21 GLN 47 13.850 -8.102 -2.994 358 HE22 GLN 47 HE22 GLN 47 13.571 -7.506 -1.397 359 H VAL 48 H VAL 48 11.964 -2.736 -6.884 360 HA VAL 48 HA VAL 48 9.900 -4.560 -7.758 361 HB VAL 48 HB VAL 48 10.027 -1.512 -7.838 362 HG11 VAL 48 HG11 VAL 48 8.506 -2.266 -9.613 363 HG12 VAL 48 HG12 VAL 48 7.584 -1.555 -8.291 364 HG13 VAL 48 HG13 VAL 48 7.653 -3.310 -8.472 365 HG21 VAL 48 HG21 VAL 48 8.492 -3.393 -5.993 366 HG22 VAL 48 HG22 VAL 48 8.435 -1.629 -5.942 367 HG23 VAL 48 HG23 VAL 48 9.935 -2.474 -5.558 368 H LEU 49 H LEU 49 12.054 -2.273 -9.439 369 HA LEU 49 HA LEU 49 11.213 -2.895 -12.109 370 HB2 LEU 49 HB3 LEU 49 13.693 -1.503 -11.035 371 HB3 LEU 49 HB2 LEU 49 13.345 -1.653 -12.752 372 HG LEU 49 HG LEU 49 11.541 -0.196 -10.766 373 HD11 LEU 49 HD11 LEU 49 12.344 1.883 -11.716 374 HD12 LEU 49 HD12 LEU 49 13.460 1.015 -12.780 375 HD13 LEU 49 HD13 LEU 49 13.689 0.977 -11.028 376 HD21 LEU 49 HD21 LEU 49 10.388 0.667 -12.737 377 HD22 LEU 49 HD22 LEU 49 10.344 -1.093 -12.726 378 HD23 LEU 49 HD23 LEU 49 11.460 -0.250 -13.800 379 H SER 50 H SER 50 13.048 -4.711 -9.918 380 HA SER 50 HA SER 50 14.942 -6.039 -11.539 381 HB2 SER 50 HB3 SER 50 14.966 -6.223 -9.090 382 HB3 SER 50 HB2 SER 50 13.418 -7.066 -9.101 383 HG SER 50 HG SER 50 14.389 -8.833 -9.990 384 H ASP 51 H ASP 51 11.496 -6.314 -11.507 385 HA ASP 51 HA ASP 51 11.497 -8.723 -13.214 386 HB2 ASP 51 HB3 ASP 51 9.232 -7.179 -11.876 387 HB3 ASP 51 HB2 ASP 51 8.992 -8.567 -12.936 388 HA PRO 52 HA PRO 52 11.226 -5.505 -16.564 389 HB2 PRO 52 HB3 PRO 52 12.188 -7.095 -18.581 390 HB3 PRO 52 HB2 PRO 52 13.250 -6.286 -17.422 391 HG2 PRO 52 HG3 PRO 52 12.277 -9.149 -17.414 392 HG3 PRO 52 HG2 PRO 52 13.922 -8.526 -17.145 393 HD2 PRO 52 HD3 PRO 52 12.288 -9.225 -15.084 394 HD3 PRO 52 HD2 PRO 52 13.466 -7.901 -14.943 395 H ASN 53 H ASN 53 10.000 -8.777 -16.380 396 HA ASN 53 HA ASN 53 8.198 -8.588 -18.654 397 HB2 ASN 53 HB3 ASN 53 8.525 -10.785 -16.566 398 HB3 ASN 53 HB2 ASN 53 7.620 -10.922 -18.073 399 HD21 ASN 53 HD21 ASN 53 9.959 -12.438 -17.098 400 HD22 ASN 53 HD22 ASN 53 11.161 -12.282 -18.326 401 H LEU 54 H LEU 54 8.000 -8.475 -15.132 402 HA LEU 54 HA LEU 54 6.401 -8.016 -13.613 403 HB2 LEU 54 HB3 LEU 54 5.235 -6.484 -15.953 404 HB3 LEU 54 HB2 LEU 54 4.577 -6.376 -14.325 405 HG LEU 54 HG LEU 54 7.413 -5.586 -15.111 406 HD11 LEU 54 HD11 LEU 54 5.765 -4.054 -16.064 407 HD12 LEU 54 HD12 LEU 54 6.681 -3.276 -14.777 408 HD13 LEU 54 HD13 LEU 54 5.028 -3.819 -14.474 409 HD21 LEU 54 HD21 LEU 54 7.565 -4.665 -12.832 410 HD22 LEU 54 HD22 LEU 54 7.295 -6.402 -12.798 411 HD23 LEU 54 HD23 LEU 54 5.961 -5.297 -12.450 412 H VAL 55 H VAL 55 5.941 -10.409 -15.469 413 HA VAL 55 HA VAL 55 3.163 -11.018 -15.422 414 HB VAL 55 HB VAL 55 3.907 -13.405 -15.689 415 HG11 VAL 55 HG11 VAL 55 5.367 -11.421 -17.484 416 HG12 VAL 55 HG12 VAL 55 3.695 -11.954 -17.674 417 HG13 VAL 55 HG13 VAL 55 5.014 -13.105 -17.885 418 HG21 VAL 55 HG21 VAL 55 5.920 -13.351 -14.248 419 HG22 VAL 55 HG22 VAL 55 6.725 -12.269 -15.386 420 HG23 VAL 55 HG23 VAL 55 6.334 -13.922 -15.866 421 H ILE 56 H ILE 56 5.553 -10.925 -12.949 422 HA ILE 56 HA ILE 56 4.017 -12.452 -10.961 423 HB ILE 56 HB ILE 56 6.753 -11.078 -10.732 424 HG12 ILE 56 HG12 ILE 56 6.074 -13.996 -11.342 425 HG13 ILE 56 HG11 ILE 56 6.798 -12.846 -12.459 426 HG21 ILE 56 HG21 ILE 56 7.148 -12.510 -8.751 427 HG22 ILE 56 HG22 ILE 56 5.513 -13.159 -8.884 428 HG23 ILE 56 HG23 ILE 56 5.758 -11.455 -8.505 429 HD11 ILE 56 HD11 ILE 56 8.070 -13.988 -9.975 430 HD12 ILE 56 HD12 ILE 56 8.802 -12.767 -11.019 431 HD13 ILE 56 HD13 ILE 56 8.456 -14.376 -11.651 432 H ARG 57 H ARG 57 3.331 -9.657 -12.181 433 HA ARG 57 HA ARG 57 3.529 -7.491 -10.505 434 HB2 ARG 57 HB3 ARG 57 2.500 -7.402 -12.744 435 HB3 ARG 57 HB2 ARG 57 1.113 -8.320 -12.166 436 HG2 ARG 57 HG3 ARG 57 0.725 -6.347 -10.523 437 HG3 ARG 57 HG2 ARG 57 1.877 -5.460 -11.523 438 HD2 ARG 57 HD3 ARG 57 -0.714 -6.710 -12.501 439 HD3 ARG 57 HD2 ARG 57 -0.471 -4.998 -12.140 440 HE ARG 57 HE ARG 57 1.156 -6.325 -14.217 441 HH11 ARG 57 HH11 ARG 57 -1.202 -3.937 -13.389 442 HH12 ARG 57 HH12 ARG 57 -1.064 -3.130 -14.907 443 HH21 ARG 57 HH21 ARG 57 1.254 -5.307 -16.167 444 HH22 ARG 57 HH22 ARG 57 0.307 -3.892 -16.456 445 H LYS 58 H LYS 58 1.233 -10.155 -10.199 446 HA LYS 58 HA LYS 58 -0.521 -8.900 -8.331 447 HB2 LYS 58 HB3 LYS 58 -0.286 -11.811 -9.182 448 HB3 LYS 58 HB2 LYS 58 -1.534 -11.213 -8.097 449 HG2 LYS 58 HG3 LYS 58 -2.537 -11.362 -10.253 450 HG3 LYS 58 HG2 LYS 58 -2.283 -9.645 -9.941 451 HD2 LYS 58 HD3 LYS 58 -0.172 -9.798 -11.348 452 HD3 LYS 58 HD2 LYS 58 -0.634 -11.452 -11.757 453 HE2 LYS 58 HE3 LYS 58 -2.211 -8.935 -12.399 454 HE3 LYS 58 HE2 LYS 58 -1.277 -9.903 -13.539 455 HZ1 LYS 58 HZ1 LYS 58 -3.595 -10.429 -13.723 456 HZ2 LYS 58 HZ2 LYS 58 -3.706 -10.770 -12.072 457 HZ3 LYS 58 HZ3 LYS 58 -2.785 -11.764 -13.075 458 H ARG 59 H ARG 59 2.412 -10.697 -7.972 459 HA ARG 59 HA ARG 59 2.248 -10.806 -5.052 460 HB2 ARG 59 HB3 ARG 59 3.449 -12.584 -6.279 461 HB3 ARG 59 HB2 ARG 59 4.528 -11.391 -6.989 462 HG2 ARG 59 HG3 ARG 59 5.450 -10.897 -4.734 463 HG3 ARG 59 HG2 ARG 59 4.374 -12.115 -4.040 464 HD2 ARG 59 HD3 ARG 59 5.476 -13.857 -5.420 465 HD3 ARG 59 HD2 ARG 59 6.549 -12.626 -6.099 466 HE ARG 59 HE ARG 59 6.574 -12.911 -3.199 467 HH11 ARG 59 HH11 ARG 59 8.120 -13.793 -6.173 468 HH12 ARG 59 HH12 ARG 59 9.603 -14.197 -5.389 469 HH21 ARG 59 HH21 ARG 59 8.484 -13.487 -2.239 470 HH22 ARG 59 HH22 ARG 59 9.804 -14.031 -3.211 471 H LYS 60 H LYS 60 3.922 -8.935 -7.600 472 HA LYS 60 HA LYS 60 5.761 -7.490 -6.098 473 HB2 LYS 60 HB3 LYS 60 4.321 -6.544 -8.608 474 HB3 LYS 60 HB2 LYS 60 5.790 -5.824 -7.959 475 HG2 LYS 60 HG3 LYS 60 5.534 -8.659 -9.009 476 HG3 LYS 60 HG2 LYS 60 6.227 -7.301 -9.893 477 HD2 LYS 60 HD3 LYS 60 7.322 -8.451 -7.292 478 HD3 LYS 60 HD2 LYS 60 7.952 -8.797 -8.904 479 HE2 LYS 60 HE3 LYS 60 8.465 -6.366 -9.184 480 HE3 LYS 60 HE2 LYS 60 7.926 -6.088 -7.524 481 HZ1 LYS 60 HZ1 LYS 60 9.667 -7.578 -6.765 482 HZ2 LYS 60 HZ2 LYS 60 10.311 -6.302 -7.653 483 HZ3 LYS 60 HZ3 LYS 60 10.179 -7.827 -8.355 484 H VAL 61 H VAL 61 2.465 -6.329 -7.034 485 HA VAL 61 HA VAL 61 2.680 -3.825 -5.681 486 HB VAL 61 HB VAL 61 0.092 -5.279 -6.370 487 HG11 VAL 61 HG11 VAL 61 -0.267 -3.368 -4.858 488 HG12 VAL 61 HG12 VAL 61 -0.931 -3.025 -6.455 489 HG13 VAL 61 HG13 VAL 61 0.606 -2.304 -5.966 490 HG21 VAL 61 HG21 VAL 61 0.091 -4.046 -8.509 491 HG22 VAL 61 HG22 VAL 61 1.487 -5.118 -8.383 492 HG23 VAL 61 HG23 VAL 61 1.684 -3.382 -8.131 493 H GLY 62 H GLY 62 1.454 -7.003 -4.641 494 HA2 GLY 62 HA3 GLY 62 0.291 -6.266 -2.168 495 HA3 GLY 62 HA2 GLY 62 0.924 -7.854 -2.566 496 H VAL 63 H VAL 63 3.605 -7.375 -2.911 497 HA VAL 63 HA VAL 63 4.645 -7.079 -0.263 498 HB VAL 63 HB VAL 63 6.172 -7.081 -2.911 499 HG11 VAL 63 HG11 VAL 63 7.204 -7.644 -0.095 500 HG12 VAL 63 HG12 VAL 63 7.561 -6.209 -1.060 501 HG13 VAL 63 HG13 VAL 63 8.139 -7.788 -1.588 502 HG21 VAL 63 HG21 VAL 63 5.504 -9.425 -1.077 503 HG22 VAL 63 HG22 VAL 63 6.532 -9.504 -2.510 504 HG23 VAL 63 HG23 VAL 63 4.819 -9.126 -2.678 505 H LEU 64 H LEU 64 4.364 -4.890 -3.027 506 HA LEU 64 HA LEU 64 5.953 -2.736 -2.163 507 HB2 LEU 64 HB3 LEU 64 5.008 -2.975 -4.453 508 HB3 LEU 64 HB2 LEU 64 3.400 -2.673 -3.821 509 HG LEU 64 HG LEU 64 4.180 -0.350 -3.143 510 HD11 LEU 64 HD11 LEU 64 6.214 0.563 -4.156 511 HD12 LEU 64 HD12 LEU 64 6.644 -1.035 -4.770 512 HD13 LEU 64 HD13 LEU 64 6.583 -0.739 -3.029 513 HD21 LEU 64 HD21 LEU 64 4.033 0.600 -5.406 514 HD22 LEU 64 HD22 LEU 64 2.855 -0.689 -5.178 515 HD23 LEU 64 HD23 LEU 64 4.324 -0.994 -6.108 516 H LEU 65 H LEU 65 2.438 -3.315 -1.644 517 HA LEU 65 HA LEU 65 1.783 -1.024 -0.152 518 HB2 LEU 65 HB3 LEU 65 0.578 -3.816 0.041 519 HB3 LEU 65 HB2 LEU 65 -0.162 -2.365 0.702 520 HG LEU 65 HG LEU 65 0.303 -2.931 -2.257 521 HD11 LEU 65 HD11 LEU 65 -2.148 -3.087 -2.424 522 HD12 LEU 65 HD12 LEU 65 -2.289 -2.896 -0.674 523 HD13 LEU 65 HD13 LEU 65 -1.488 -4.318 -1.348 524 HD21 LEU 65 HD21 LEU 65 0.506 -0.536 -1.796 525 HD22 LEU 65 HD22 LEU 65 -1.053 -0.542 -0.967 526 HD23 LEU 65 HD23 LEU 65 -0.967 -0.880 -2.699 527 H ASP 66 H ASP 66 3.024 -4.160 0.945 528 HA ASP 66 HA ASP 66 2.998 -3.942 3.720 529 HB2 ASP 66 HB3 ASP 66 3.606 -5.986 2.461 530 HB3 ASP 66 HB2 ASP 66 5.084 -5.228 1.898 531 H ILE 67 H ILE 67 5.400 -2.719 1.421 532 HA ILE 67 HA ILE 67 7.201 -1.605 3.391 533 HB ILE 67 HB ILE 67 7.112 -1.191 0.368 534 HG12 ILE 67 HG12 ILE 67 8.782 -3.214 1.941 535 HG13 ILE 67 HG11 ILE 67 7.287 -3.617 1.106 536 HG21 ILE 67 HG21 ILE 67 9.525 -0.607 0.565 537 HG22 ILE 67 HG22 ILE 67 9.403 -0.727 2.321 538 HG23 ILE 67 HG23 ILE 67 8.502 0.521 1.460 539 HD11 ILE 67 HD11 ILE 67 9.815 -2.610 -0.193 540 HD12 ILE 67 HD12 ILE 67 8.319 -3.036 -1.029 541 HD13 ILE 67 HD13 ILE 67 9.234 -4.274 -0.171 542 H LEU 68 H LEU 68 4.654 -0.334 1.251 543 HA LEU 68 HA LEU 68 5.173 2.442 1.605 544 HB2 LEU 68 HB3 LEU 68 2.620 1.021 0.775 545 HB3 LEU 68 HB2 LEU 68 2.847 2.761 0.697 546 HG LEU 68 HG LEU 68 4.376 0.696 -0.940 547 HD11 LEU 68 HD11 LEU 68 3.136 1.586 -2.866 548 HD12 LEU 68 HD12 LEU 68 2.225 2.660 -1.801 549 HD13 LEU 68 HD13 LEU 68 2.047 0.909 -1.656 550 HD21 LEU 68 HD21 LEU 68 4.555 3.727 -1.057 551 HD22 LEU 68 HD22 LEU 68 5.345 2.596 -2.160 552 HD23 LEU 68 HD23 LEU 68 5.805 2.631 -0.461 553 H GLN 69 H GLN 69 3.128 0.136 3.414 554 HA GLN 69 HA GLN 69 1.643 1.843 5.050 555 HB2 GLN 69 HB3 GLN 69 1.332 -0.610 5.035 556 HB3 GLN 69 HB2 GLN 69 2.883 -0.832 5.841 557 HG2 GLN 69 HG3 GLN 69 2.029 0.321 7.842 558 HG3 GLN 69 HG2 GLN 69 0.494 0.623 7.034 559 HE21 GLN 69 HE21 GLN 69 0.943 -0.740 9.512 560 HE22 GLN 69 HE22 GLN 69 0.321 -2.341 9.328 561 H ARG 70 H ARG 70 5.011 0.994 5.295 562 HA ARG 70 HA ARG 70 5.528 1.916 7.943 563 HB2 ARG 70 HB3 ARG 70 7.417 1.387 5.619 564 HB3 ARG 70 HB2 ARG 70 7.922 1.609 7.296 565 HG2 ARG 70 HG3 ARG 70 6.717 -0.411 7.970 566 HG3 ARG 70 HG2 ARG 70 6.066 -0.607 6.341 567 HD2 ARG 70 HD3 ARG 70 8.285 -1.083 5.455 568 HD3 ARG 70 HD2 ARG 70 9.027 -0.718 7.017 569 HE ARG 70 HE ARG 70 8.027 -2.688 7.927 570 HH11 ARG 70 HH11 ARG 70 7.949 -2.564 4.477 571 HH12 ARG 70 HH12 ARG 70 7.449 -4.209 4.332 572 HH21 ARG 70 HH21 ARG 70 7.423 -4.785 7.713 573 HH22 ARG 70 HH22 ARG 70 7.159 -5.452 6.137 574 H THR 71 H THR 71 4.958 3.701 5.077 575 HA THR 71 HA THR 71 6.347 6.117 6.101 576 HB THR 71 HB THR 71 5.907 7.188 3.989 577 HG1 THR 71 HG1 THR 71 4.463 5.013 2.937 578 HG21 THR 71 HG21 THR 71 6.918 5.644 2.343 579 HG22 THR 71 HG22 THR 71 6.611 4.281 3.419 580 HG23 THR 71 HG23 THR 71 7.750 5.546 3.893 581 H GLY 72 H GLY 72 3.559 4.617 6.812 582 HA2 GLY 72 HA3 GLY 72 1.798 5.336 8.114 583 HA3 GLY 72 HA2 GLY 72 2.330 6.993 7.897 584 H HIS 73 H HIS 73 0.360 7.896 7.433 585 HA HIS 73 HA HIS 73 -1.473 6.798 5.497 586 HB2 HIS 73 HB2 HIS 73 -2.028 8.251 7.575 587 HB3 HIS 73 HB1 HIS 73 -1.566 9.635 6.597 588 HD2 HIS 73 HD2 HIS 73 -3.379 10.292 4.539 589 HE1 HIS 73 HE1 HIS 73 -6.402 7.665 5.879 590 HE2 HIS 73 HE2 HIS 73 -5.891 9.694 4.456 591 H LYS 74 H LYS 74 1.338 8.804 5.263 592 HA LYS 74 HA LYS 74 0.689 10.407 3.017 593 HB2 LYS 74 HB3 LYS 74 2.666 10.792 4.515 594 HB3 LYS 74 HB2 LYS 74 3.449 9.380 3.811 595 HG2 LYS 74 HG3 LYS 74 3.429 10.496 1.582 596 HG3 LYS 74 HG2 LYS 74 2.662 11.908 2.308 597 HD2 LYS 74 HD3 LYS 74 5.018 12.372 2.041 598 HD3 LYS 74 HD2 LYS 74 4.688 12.199 3.767 599 HE2 LYS 74 HE3 LYS 74 5.595 9.900 3.710 600 HE3 LYS 74 HE2 LYS 74 5.885 10.052 1.974 601 HZ1 LYS 74 HZ1 LYS 74 7.894 10.451 3.171 602 HZ2 LYS 74 HZ2 LYS 74 7.163 11.641 4.118 603 HZ3 LYS 74 HZ3 LYS 74 7.389 11.904 2.465 604 H GLY 75 H GLY 75 2.260 7.203 3.241 605 HA2 GLY 75 HA3 GLY 75 2.562 6.600 0.521 606 HA3 GLY 75 HA2 GLY 75 2.294 5.420 1.793 607 H TYR 76 H TYR 76 -0.263 6.323 2.608 608 HA TYR 76 HA TYR 76 -1.968 4.931 0.798 609 HB2 TYR 76 HB2 TYR 76 -2.280 4.914 3.257 610 HB3 TYR 76 HB1 TYR 76 -2.644 6.636 3.241 611 HD1 TYR 76 HD1 TYR 76 -4.890 7.385 2.846 612 HD2 TYR 76 HD2 TYR 76 -3.877 3.311 2.050 613 HE1 TYR 76 HE1 TYR 76 -7.262 6.863 2.492 614 HE2 TYR 76 HE2 TYR 76 -6.250 2.797 1.702 615 HH TYR 76 HH TYR 76 -8.612 5.155 1.282 616 H VAL 77 H VAL 77 -1.490 8.385 1.512 617 HA VAL 77 HA VAL 77 -3.561 9.415 -0.159 618 HB VAL 77 HB VAL 77 -1.012 10.738 0.886 619 HG11 VAL 77 HG11 VAL 77 -3.392 12.069 -0.473 620 HG12 VAL 77 HG12 VAL 77 -1.754 11.953 -1.122 621 HG13 VAL 77 HG13 VAL 77 -2.063 12.918 0.321 622 HG21 VAL 77 HG21 VAL 77 -2.587 10.059 2.652 623 HG22 VAL 77 HG22 VAL 77 -3.894 10.929 1.848 624 HG23 VAL 77 HG23 VAL 77 -2.526 11.817 2.522 625 H ALA 78 H ALA 78 -0.030 9.071 -0.672 626 HA ALA 78 HA ALA 78 0.108 9.882 -3.365 627 HB1 ALA 78 HB1 ALA 78 2.084 9.663 -1.912 628 HB2 ALA 78 HB2 ALA 78 2.289 8.743 -3.403 629 HB3 ALA 78 HB3 ALA 78 1.892 7.909 -1.897 630 H PHE 79 H PHE 79 -0.634 6.746 -1.917 631 HA PHE 79 HA PHE 79 -0.773 5.121 -4.217 632 HB2 PHE 79 HB2 PHE 79 -0.814 4.230 -1.916 633 HB3 PHE 79 HB1 PHE 79 -2.364 5.000 -1.615 634 HD1 PHE 79 HD1 PHE 79 -4.378 3.805 -2.048 635 HD2 PHE 79 HD2 PHE 79 -0.703 2.419 -3.746 636 HE1 PHE 79 HE1 PHE 79 -5.497 1.751 -2.812 637 HE2 PHE 79 HE2 PHE 79 -1.833 0.376 -4.501 638 HZ PHE 79 HZ PHE 79 -4.221 0.041 -4.038 639 H LEU 80 H LEU 80 -3.425 6.875 -2.514 640 HA LEU 80 HA LEU 80 -5.446 6.434 -4.445 641 HB2 LEU 80 HB3 LEU 80 -5.173 8.643 -2.377 642 HB3 LEU 80 HB2 LEU 80 -6.621 8.387 -3.340 643 HG LEU 80 HG LEU 80 -5.484 6.478 -1.250 644 HD11 LEU 80 HD11 LEU 80 -7.564 6.956 -0.020 645 HD12 LEU 80 HD12 LEU 80 -8.047 8.111 -1.266 646 HD13 LEU 80 HD13 LEU 80 -6.614 8.418 -0.281 647 HD21 LEU 80 HD21 LEU 80 -6.435 5.173 -3.097 648 HD22 LEU 80 HD22 LEU 80 -7.935 6.101 -3.012 649 HD23 LEU 80 HD23 LEU 80 -7.458 5.060 -1.666 650 H GLU 81 H GLU 81 -2.949 8.910 -4.283 651 HA GLU 81 HA GLU 81 -3.897 10.662 -6.316 652 HB2 GLU 81 HB3 GLU 81 -1.109 10.067 -5.260 653 HB3 GLU 81 HB2 GLU 81 -1.393 11.257 -6.522 654 HG2 GLU 81 HG3 GLU 81 -2.733 12.610 -4.996 655 HG3 GLU 81 HG2 GLU 81 -2.572 11.390 -3.732 656 H SER 82 H SER 82 -1.569 7.935 -6.384 657 HA SER 82 HA SER 82 -1.019 7.884 -9.138 658 HB2 SER 82 HB3 SER 82 0.320 6.611 -7.520 659 HB3 SER 82 HB2 SER 82 -1.051 5.559 -7.168 660 HG SER 82 HG SER 82 -0.249 4.392 -8.721 661 H LEU 83 H LEU 83 -3.646 6.340 -7.315 662 HA LEU 83 HA LEU 83 -4.846 4.943 -9.479 663 HB2 LEU 83 HB3 LEU 83 -6.132 6.030 -6.944 664 HB3 LEU 83 HB2 LEU 83 -6.868 4.866 -8.038 665 HG LEU 83 HG LEU 83 -4.408 4.395 -6.308 666 HD11 LEU 83 HD11 LEU 83 -7.200 3.225 -6.137 667 HD12 LEU 83 HD12 LEU 83 -6.478 4.390 -5.023 668 HD13 LEU 83 HD13 LEU 83 -5.821 2.760 -5.135 669 HD21 LEU 83 HD21 LEU 83 -4.470 2.070 -7.127 670 HD22 LEU 83 HD22 LEU 83 -4.140 3.213 -8.424 671 HD23 LEU 83 HD23 LEU 83 -5.749 2.504 -8.265 672 H GLU 84 H GLU 84 -5.647 8.113 -8.005 673 HA GLU 84 HA GLU 84 -7.727 8.860 -9.740 674 HB2 GLU 84 HB3 GLU 84 -7.319 9.899 -7.552 675 HB3 GLU 84 HB2 GLU 84 -5.807 10.589 -8.129 676 HG2 GLU 84 HG3 GLU 84 -6.962 12.120 -9.574 677 HG3 GLU 84 HG2 GLU 84 -8.503 11.300 -9.312 678 H LEU 85 H LEU 85 -4.255 9.079 -10.153 679 HA LEU 85 HA LEU 85 -4.283 10.877 -12.428 680 HB2 LEU 85 HB3 LEU 85 -2.414 10.487 -10.614 681 HB3 LEU 85 HB2 LEU 85 -1.930 9.138 -11.616 682 HG LEU 85 HG LEU 85 -1.991 12.053 -12.523 683 HD11 LEU 85 HD11 LEU 85 0.451 12.016 -12.363 684 HD12 LEU 85 HD12 LEU 85 0.404 10.373 -11.719 685 HD13 LEU 85 HD13 LEU 85 -0.293 11.706 -10.794 686 HD21 LEU 85 HD21 LEU 85 -2.253 10.547 -14.438 687 HD22 LEU 85 HD22 LEU 85 -0.822 9.638 -13.950 688 HD23 LEU 85 HD23 LEU 85 -0.669 11.318 -14.472 689 H TYR 86 H TYR 86 -3.636 7.378 -11.945 690 HA TYR 86 HA TYR 86 -3.301 7.005 -14.849 691 HB2 TYR 86 HB2 TYR 86 -2.532 5.213 -12.506 692 HB3 TYR 86 HB1 TYR 86 -2.239 4.827 -14.201 693 HD1 TYR 86 HD1 TYR 86 -0.903 6.529 -11.304 694 HD2 TYR 86 HD2 TYR 86 -0.770 6.475 -15.574 695 HE1 TYR 86 HE1 TYR 86 1.201 7.800 -11.250 696 HE2 TYR 86 HE2 TYR 86 1.342 7.731 -15.518 697 HH TYR 86 HH TYR 86 3.194 8.151 -12.736 698 H TYR 87 H TYR 87 -5.216 5.604 -12.154 699 HA TYR 87 HA TYR 87 -6.976 4.247 -14.140 700 HB2 TYR 87 HB2 TYR 87 -6.054 3.166 -11.444 701 HB3 TYR 87 HB1 TYR 87 -7.282 2.408 -12.454 702 HD1 TYR 87 HD1 TYR 87 -3.758 2.539 -11.768 703 HD2 TYR 87 HD2 TYR 87 -6.590 1.807 -14.897 704 HE1 TYR 87 HE1 TYR 87 -2.022 1.368 -13.077 705 HE2 TYR 87 HE2 TYR 87 -4.865 0.632 -16.180 706 HH TYR 87 HH TYR 87 -1.949 -0.364 -14.893 707 HA PRO 88 HA PRO 88 -9.565 7.361 -11.749 708 HB2 PRO 88 HB3 PRO 88 -11.241 6.963 -14.228 709 HB3 PRO 88 HB2 PRO 88 -10.800 8.462 -13.394 710 HG2 PRO 88 HG3 PRO 88 -9.589 7.796 -15.674 711 HG3 PRO 88 HG2 PRO 88 -8.652 8.513 -14.344 712 HD2 PRO 88 HD3 PRO 88 -8.815 5.625 -15.212 713 HD3 PRO 88 HD2 PRO 88 -7.401 6.568 -14.678 714 H GLN 89 H GLN 89 -10.887 4.568 -13.577 715 HA GLN 89 HA GLN 89 -13.320 4.361 -12.082 716 HB2 GLN 89 HB3 GLN 89 -11.964 2.298 -13.868 717 HB3 GLN 89 HB2 GLN 89 -13.637 2.226 -13.313 718 HG2 GLN 89 HG3 GLN 89 -14.155 4.272 -14.563 719 HG3 GLN 89 HG2 GLN 89 -12.478 4.397 -15.089 720 HE21 GLN 89 HE21 GLN 89 -14.947 4.145 -16.671 721 HE22 GLN 89 HE22 GLN 89 -14.728 2.757 -17.669 722 H LEU 90 H LEU 90 -10.203 2.622 -11.910 723 HA LEU 90 HA LEU 90 -10.840 0.848 -9.791 724 HB2 LEU 90 HB3 LEU 90 -8.832 0.515 -11.133 725 HB3 LEU 90 HB2 LEU 90 -8.183 2.062 -10.621 726 HG LEU 90 HG LEU 90 -7.912 1.187 -8.299 727 HD11 LEU 90 HD11 LEU 90 -8.174 -1.196 -7.800 728 HD12 LEU 90 HD12 LEU 90 -8.850 -1.477 -9.406 729 HD13 LEU 90 HD13 LEU 90 -9.714 -0.464 -8.245 730 HD21 LEU 90 HD21 LEU 90 -6.568 -0.570 -10.376 731 HD22 LEU 90 HD22 LEU 90 -6.010 -0.279 -8.727 732 HD23 LEU 90 HD23 LEU 90 -6.036 1.042 -9.892 733 H TYR 91 H TYR 91 -9.500 4.161 -9.763 734 HA TYR 91 HA TYR 91 -9.116 4.547 -7.031 735 HB2 TYR 91 HB2 TYR 91 -8.353 6.197 -8.662 736 HB3 TYR 91 HB1 TYR 91 -10.006 6.552 -9.147 737 HD1 TYR 91 HD1 TYR 91 -8.079 6.442 -5.888 738 HD2 TYR 91 HD2 TYR 91 -10.780 8.638 -8.375 739 HE1 TYR 91 HE1 TYR 91 -8.178 8.235 -4.211 740 HE2 TYR 91 HE2 TYR 91 -10.868 10.430 -6.693 741 HH TYR 91 HH TYR 91 -8.693 10.594 -4.063 742 H LYS 92 H LYS 92 -12.081 5.137 -8.944 743 HA LYS 92 HA LYS 92 -13.739 6.126 -6.904 744 HB2 LYS 92 HB3 LYS 92 -14.539 4.551 -9.386 745 HB3 LYS 92 HB2 LYS 92 -15.640 5.505 -8.397 746 HG2 LYS 92 HG3 LYS 92 -13.303 6.590 -10.006 747 HG3 LYS 92 HG2 LYS 92 -15.002 6.692 -10.464 748 HD2 LYS 92 HD3 LYS 92 -13.758 7.991 -8.000 749 HD3 LYS 92 HD2 LYS 92 -14.128 8.826 -9.511 750 HE2 LYS 92 HE3 LYS 92 -16.529 8.326 -9.199 751 HE3 LYS 92 HE2 LYS 92 -16.160 7.476 -7.697 752 HZ1 LYS 92 HZ1 LYS 92 -16.938 9.686 -7.262 753 HZ2 LYS 92 HZ2 LYS 92 -15.724 10.361 -8.219 754 HZ3 LYS 92 HZ3 LYS 92 -15.323 9.557 -6.791 755 H LYS 93 H LYS 93 -13.037 2.788 -7.845 756 HA LYS 93 HA LYS 93 -14.903 1.469 -6.139 757 HB2 LYS 93 HB3 LYS 93 -13.892 0.318 -8.053 758 HB3 LYS 93 HB2 LYS 93 -12.280 0.521 -7.372 759 HG2 LYS 93 HG3 LYS 93 -12.876 -0.979 -5.498 760 HG3 LYS 93 HG2 LYS 93 -14.500 -1.171 -6.169 761 HD2 LYS 93 HD3 LYS 93 -13.474 -2.172 -8.234 762 HD3 LYS 93 HD2 LYS 93 -11.888 -2.063 -7.459 763 HE2 LYS 93 HE3 LYS 93 -12.567 -3.618 -5.724 764 HE3 LYS 93 HE2 LYS 93 -14.234 -3.613 -6.306 765 HZ1 LYS 93 HZ1 LYS 93 -13.451 -4.618 -8.369 766 HZ2 LYS 93 HZ2 LYS 93 -13.102 -5.577 -7.028 767 HZ3 LYS 93 HZ3 LYS 93 -11.879 -4.674 -7.759 768 H VAL 94 H VAL 94 -11.422 2.217 -5.766 769 HA VAL 94 HA VAL 94 -11.073 0.847 -3.289 770 HB VAL 94 HB VAL 94 -9.308 2.967 -4.595 771 HG11 VAL 94 HG11 VAL 94 -7.452 2.042 -3.235 772 HG12 VAL 94 HG12 VAL 94 -8.588 0.977 -2.404 773 HG13 VAL 94 HG13 VAL 94 -8.718 2.727 -2.211 774 HG21 VAL 94 HG21 VAL 94 -8.026 1.074 -5.495 775 HG22 VAL 94 HG22 VAL 94 -9.706 0.979 -6.023 776 HG23 VAL 94 HG23 VAL 94 -9.132 -0.067 -4.724 777 H THR 95 H THR 95 -11.413 4.360 -3.997 778 HA THR 95 HA THR 95 -11.405 5.074 -1.183 779 HB THR 95 HB THR 95 -10.456 6.645 -2.882 780 HG1 THR 95 HG1 THR 95 -11.682 7.217 -0.744 781 HG21 THR 95 HG21 THR 95 -11.957 8.085 -4.216 782 HG22 THR 95 HG22 THR 95 -13.352 7.148 -3.680 783 HG23 THR 95 HG23 THR 95 -12.126 6.397 -4.698 784 H GLY 96 H GLY 96 -13.854 4.470 -3.654 785 HA2 GLY 96 HA3 GLY 96 -16.114 4.117 -3.521 786 HA3 GLY 96 HA2 GLY 96 -15.911 3.954 -1.788 787 H LYS 97 H LYS 97 -15.384 6.815 -3.869 788 HA LYS 97 HA LYS 97 -17.259 8.365 -2.181 789 HB2 LYS 97 HB3 LYS 97 -15.080 9.319 -4.083 790 HB3 LYS 97 HB2 LYS 97 -16.129 10.379 -3.145 791 HG2 LYS 97 HG3 LYS 97 -14.103 8.412 -2.031 792 HG3 LYS 97 HG2 LYS 97 -13.924 10.170 -2.096 793 HD2 LYS 97 HD3 LYS 97 -15.859 10.412 -0.555 794 HD3 LYS 97 HD2 LYS 97 -16.029 8.654 -0.491 795 HE2 LYS 97 HE3 LYS 97 -13.732 8.515 0.495 796 HE3 LYS 97 HE2 LYS 97 -13.666 10.282 0.503 797 HZ1 LYS 97 HZ1 LYS 97 -15.568 10.313 1.984 798 HZ2 LYS 97 HZ2 LYS 97 -14.321 9.389 2.648 799 HZ3 LYS 97 HZ3 LYS 97 -15.656 8.622 1.953 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 8.597 3.053 23.422 2 H2 MET 1 HT2 MET 1 9.933 3.291 24.423 3 H3 MET 1 HT3 MET 1 9.620 4.375 23.169 4 HA MET 1 HA MET 1 7.937 3.915 25.558 5 HB2 MET 1 HB2 MET 1 8.599 6.174 26.271 6 HB3 MET 1 HB1 MET 1 10.014 5.156 26.064 7 HG2 MET 1 HG2 MET 1 10.528 6.245 23.942 8 HG3 MET 1 HG1 MET 1 9.051 7.200 24.050 9 HE1 MET 1 HE1 MET 1 12.674 7.747 26.890 10 HE2 MET 1 HE2 MET 1 12.663 6.606 25.547 11 HE3 MET 1 HE3 MET 1 11.638 6.322 26.955 12 H SER 2 H SER 2 8.112 5.231 22.319 13 HA SER 2 HA SER 2 5.758 6.960 22.657 14 HB2 SER 2 HB3 SER 2 6.241 7.715 20.350 15 HB3 SER 2 HB2 SER 2 7.681 7.825 21.360 16 HG SER 2 HG SER 2 8.089 6.887 19.291 17 H ASP 3 H ASP 3 3.827 6.739 21.463 18 HA ASP 3 HA ASP 3 3.057 3.985 20.864 19 HB2 ASP 3 HB3 ASP 3 0.716 4.970 20.711 20 HB3 ASP 3 HB2 ASP 3 1.510 5.182 22.264 21 H TYR 4 H TYR 4 2.636 3.160 18.901 22 HA TYR 4 HA TYR 4 3.225 4.629 16.483 23 HB2 TYR 4 HB2 TYR 4 2.538 1.708 17.018 24 HB3 TYR 4 HB1 TYR 4 2.739 2.346 15.389 25 HD1 TYR 4 HD1 TYR 4 4.954 3.156 14.618 26 HD2 TYR 4 HD2 TYR 4 4.498 1.302 18.444 27 HE1 TYR 4 HE1 TYR 4 7.383 2.854 14.759 28 HE2 TYR 4 HE2 TYR 4 6.939 1.001 18.579 29 HH TYR 4 HH TYR 4 8.875 0.883 17.077 30 H GLU 5 H GLU 5 1.856 5.059 14.847 31 HA GLU 5 HA GLU 5 -0.859 5.640 15.339 32 HB2 GLU 5 HB3 GLU 5 -1.040 6.227 12.949 33 HB3 GLU 5 HB2 GLU 5 0.410 6.915 13.660 34 HG2 GLU 5 HG3 GLU 5 0.492 4.340 12.061 35 HG3 GLU 5 HG2 GLU 5 0.557 5.913 11.280 36 H ASN 6 H ASN 6 -2.706 4.572 14.928 37 HA ASN 6 HA ASN 6 -2.703 1.746 14.224 38 HB2 ASN 6 HB3 ASN 6 -5.134 1.894 14.803 39 HB3 ASN 6 HB2 ASN 6 -4.092 2.509 16.084 40 HD21 ASN 6 HD21 ASN 6 -6.431 3.369 13.637 41 HD22 ASN 6 HD22 ASN 6 -6.730 4.967 14.221 42 H ASP 7 H ASP 7 -1.887 3.428 12.063 43 HA ASP 7 HA ASP 7 -4.082 4.052 10.321 44 HB2 ASP 7 HB3 ASP 7 -1.519 5.068 10.506 45 HB3 ASP 7 HB2 ASP 7 -1.287 3.970 9.154 46 H ASP 8 H ASP 8 -2.501 1.160 10.998 47 HA ASP 8 HA ASP 8 -2.437 -0.297 8.639 48 HB2 ASP 8 HB3 ASP 8 -2.876 -2.303 10.120 49 HB3 ASP 8 HB2 ASP 8 -1.583 -1.245 10.672 50 H GLU 9 H GLU 9 -5.240 0.783 10.441 51 HA GLU 9 HA GLU 9 -7.325 -0.663 9.249 52 HB2 GLU 9 HB3 GLU 9 -7.214 2.201 10.275 53 HB3 GLU 9 HB2 GLU 9 -8.710 1.441 9.735 54 HG2 GLU 9 HG3 GLU 9 -6.971 0.397 11.989 55 HG3 GLU 9 HG2 GLU 9 -8.396 1.411 12.207 56 H CYS 10 H CYS 10 -5.835 2.406 8.132 57 HA CYS 10 HA CYS 10 -7.323 2.851 5.795 58 HB2 CYS 10 HB3 CYS 10 -4.381 3.480 6.285 59 HB3 CYS 10 HB2 CYS 10 -5.381 4.198 5.024 60 H TRP 11 H TRP 11 -4.423 0.935 6.311 61 HA TRP 11 HA TRP 11 -4.084 0.097 3.583 62 HB2 TRP 11 HB2 TRP 11 -2.746 -0.846 6.160 63 HB3 TRP 11 HB1 TRP 11 -2.235 -1.302 4.530 64 HD1 TRP 11 HD1 TRP 11 -2.036 1.593 7.001 65 HE1 TRP 11 HE1 TRP 11 -0.613 3.479 5.989 66 HE3 TRP 11 HE3 TRP 11 -1.510 -0.243 2.261 67 HZ2 TRP 11 HZ2 TRP 11 0.563 4.104 3.523 68 HZ3 TRP 11 HZ3 TRP 11 -0.229 1.069 0.622 69 HH2 TRP 11 HH2 TRP 11 0.784 3.200 1.249 70 H SER 12 H SER 12 -5.761 -1.179 6.352 71 HA SER 12 HA SER 12 -6.142 -3.867 5.471 72 HB2 SER 12 HB3 SER 12 -6.484 -3.289 7.819 73 HB3 SER 12 HB2 SER 12 -7.767 -2.152 7.403 74 HG SER 12 HG SER 12 -8.474 -4.267 8.155 75 H VAL 13 H VAL 13 -7.980 -0.869 5.016 76 HA VAL 13 HA VAL 13 -10.207 -1.903 3.592 77 HB VAL 13 HB VAL 13 -8.909 0.858 3.466 78 HG11 VAL 13 HG11 VAL 13 -11.060 1.676 2.511 79 HG12 VAL 13 HG12 VAL 13 -11.635 0.011 2.401 80 HG13 VAL 13 HG13 VAL 13 -10.251 0.531 1.438 81 HG21 VAL 13 HG21 VAL 13 -11.323 -0.124 5.044 82 HG22 VAL 13 HG22 VAL 13 -10.725 1.536 5.009 83 HG23 VAL 13 HG23 VAL 13 -9.732 0.257 5.709 84 H LEU 14 H LEU 14 -7.020 -0.740 2.501 85 HA LEU 14 HA LEU 14 -7.380 -1.141 -0.285 86 HB2 LEU 14 HB3 LEU 14 -4.766 -1.360 1.257 87 HB3 LEU 14 HB2 LEU 14 -4.944 -1.061 -0.469 88 HG LEU 14 HG LEU 14 -5.674 0.834 1.793 89 HD11 LEU 14 HD11 LEU 14 -3.929 2.274 0.879 90 HD12 LEU 14 HD12 LEU 14 -3.558 1.072 -0.359 91 HD13 LEU 14 HD13 LEU 14 -3.282 0.701 1.344 92 HD21 LEU 14 HD21 LEU 14 -7.350 1.078 0.047 93 HD22 LEU 14 HD22 LEU 14 -6.095 1.241 -1.185 94 HD23 LEU 14 HD23 LEU 14 -6.282 2.478 0.060 95 H GLU 15 H GLU 15 -6.079 -3.242 2.277 96 HA GLU 15 HA GLU 15 -5.379 -5.478 0.763 97 HB2 GLU 15 HB3 GLU 15 -6.148 -5.193 3.670 98 HB3 GLU 15 HB2 GLU 15 -5.711 -6.757 2.983 99 HG2 GLU 15 HG3 GLU 15 -3.502 -5.839 2.319 100 HG3 GLU 15 HG2 GLU 15 -3.940 -4.294 3.050 101 H GLY 16 H GLY 16 -8.504 -4.560 2.115 102 HA2 GLY 16 HA3 GLY 16 -10.039 -6.838 1.620 103 HA3 GLY 16 HA2 GLY 16 -10.642 -5.192 1.590 104 H PHE 17 H PHE 17 -8.841 -4.429 -0.670 105 HA PHE 17 HA PHE 17 -10.198 -5.830 -2.924 106 HB2 PHE 17 HB2 PHE 17 -9.122 -2.969 -2.806 107 HB3 PHE 17 HB1 PHE 17 -9.875 -3.713 -4.212 108 HD1 PHE 17 HD1 PHE 17 -12.328 -4.597 -3.880 109 HD2 PHE 17 HD2 PHE 17 -10.468 -1.696 -1.346 110 HE1 PHE 17 HE1 PHE 17 -14.539 -3.791 -3.170 111 HE2 PHE 17 HE2 PHE 17 -12.690 -0.897 -0.640 112 HZ PHE 17 HZ PHE 17 -14.726 -1.946 -1.552 113 H ARG 18 H ARG 18 -7.357 -6.190 -1.449 114 HA ARG 18 HA ARG 18 -5.403 -4.992 -3.107 115 HB2 ARG 18 HB3 ARG 18 -5.022 -5.689 -0.748 116 HB3 ARG 18 HB2 ARG 18 -4.960 -7.366 -1.267 117 HG2 ARG 18 HG3 ARG 18 -2.954 -6.929 -2.575 118 HG3 ARG 18 HG2 ARG 18 -3.064 -5.202 -2.236 119 HD2 ARG 18 HD3 ARG 18 -1.358 -6.142 -0.821 120 HD3 ARG 18 HD2 ARG 18 -2.733 -5.715 0.200 121 HE ARG 18 HE ARG 18 -3.313 -8.224 -0.127 122 HH11 ARG 18 HH11 ARG 18 -0.112 -6.953 0.340 123 HH12 ARG 18 HH12 ARG 18 0.464 -8.424 1.030 124 HH21 ARG 18 HH21 ARG 18 -2.525 -10.074 0.749 125 HH22 ARG 18 HH22 ARG 18 -0.876 -10.160 1.259 126 H VAL 19 H VAL 19 -6.769 -8.264 -3.242 127 HA VAL 19 HA VAL 19 -4.976 -9.410 -5.088 128 HB VAL 19 HB VAL 19 -6.568 -10.747 -3.769 129 HG11 VAL 19 HG11 VAL 19 -8.960 -10.925 -4.359 130 HG12 VAL 19 HG12 VAL 19 -8.768 -9.632 -5.544 131 HG13 VAL 19 HG13 VAL 19 -8.541 -9.292 -3.827 132 HG21 VAL 19 HG21 VAL 19 -7.229 -12.379 -5.510 133 HG22 VAL 19 HG22 VAL 19 -5.596 -11.773 -5.781 134 HG23 VAL 19 HG23 VAL 19 -6.932 -11.168 -6.760 135 H THR 20 H THR 20 -7.776 -7.326 -5.610 136 HA THR 20 HA THR 20 -7.708 -7.418 -8.505 137 HB THR 20 HB THR 20 -9.070 -5.386 -6.674 138 HG1 THR 20 HG1 THR 20 -10.903 -6.922 -7.612 139 HG21 THR 20 HG21 THR 20 -8.874 -4.551 -9.001 140 HG22 THR 20 HG22 THR 20 -10.550 -4.929 -8.604 141 HG23 THR 20 HG23 THR 20 -9.615 -6.039 -9.605 142 H LEU 21 H LEU 21 -6.622 -5.135 -5.968 143 HA LEU 21 HA LEU 21 -5.672 -3.022 -7.548 144 HB2 LEU 21 HB3 LEU 21 -4.668 -3.978 -4.838 145 HB3 LEU 21 HB2 LEU 21 -4.201 -2.449 -5.568 146 HG LEU 21 HG LEU 21 -7.003 -3.227 -4.668 147 HD11 LEU 21 HD11 LEU 21 -5.515 -2.736 -2.787 148 HD12 LEU 21 HD12 LEU 21 -6.731 -1.475 -2.966 149 HD13 LEU 21 HD13 LEU 21 -5.074 -1.185 -3.510 150 HD21 LEU 21 HD21 LEU 21 -7.665 -0.939 -5.252 151 HD22 LEU 21 HD22 LEU 21 -7.116 -1.819 -6.671 152 HD23 LEU 21 HD23 LEU 21 -6.059 -0.623 -5.914 153 H THR 22 H THR 22 -4.001 -5.976 -6.537 154 HA THR 22 HA THR 22 -1.397 -5.253 -7.468 155 HB THR 22 HB THR 22 -0.831 -7.650 -7.112 156 HG1 THR 22 HG1 THR 22 -2.408 -9.102 -6.496 157 HG21 THR 22 HG21 THR 22 -2.459 -6.449 -4.851 158 HG22 THR 22 HG22 THR 22 -0.754 -6.142 -5.176 159 HG23 THR 22 HG23 THR 22 -1.278 -7.754 -4.692 160 H SER 23 H SER 23 -4.183 -6.485 -9.050 161 HA SER 23 HA SER 23 -2.767 -7.529 -11.398 162 HB2 SER 23 HB3 SER 23 -5.757 -7.348 -10.818 163 HB3 SER 23 HB2 SER 23 -5.015 -8.225 -12.159 164 HG SER 23 HG SER 23 -4.576 -8.753 -9.396 165 H VAL 24 H VAL 24 -4.892 -4.797 -10.511 166 HA VAL 24 HA VAL 24 -5.043 -3.788 -13.260 167 HB VAL 24 HB VAL 24 -6.260 -2.599 -10.723 168 HG11 VAL 24 HG11 VAL 24 -6.078 -0.912 -12.505 169 HG12 VAL 24 HG12 VAL 24 -7.768 -1.354 -12.261 170 HG13 VAL 24 HG13 VAL 24 -6.879 -1.996 -13.645 171 HG21 VAL 24 HG21 VAL 24 -8.388 -3.659 -11.441 172 HG22 VAL 24 HG22 VAL 24 -7.137 -4.863 -11.127 173 HG23 VAL 24 HG23 VAL 24 -7.544 -4.432 -12.789 174 H ILE 25 H ILE 25 -3.432 -2.912 -10.236 175 HA ILE 25 HA ILE 25 -2.337 -0.414 -11.285 176 HB ILE 25 HB ILE 25 -1.775 -1.861 -8.657 177 HG12 ILE 25 HG12 ILE 25 -3.448 0.637 -9.164 178 HG13 ILE 25 HG11 ILE 25 -4.118 -0.981 -8.968 179 HG21 ILE 25 HG21 ILE 25 -0.893 0.932 -9.491 180 HG22 ILE 25 HG22 ILE 25 0.165 -0.459 -9.245 181 HG23 ILE 25 HG23 ILE 25 -0.703 0.241 -7.878 182 HD11 ILE 25 HD11 ILE 25 -3.234 -1.063 -6.693 183 HD12 ILE 25 HD12 ILE 25 -4.325 0.298 -6.946 184 HD13 ILE 25 HD13 ILE 25 -2.584 0.568 -6.892 185 H ASP 26 H ASP 26 -0.499 -0.275 -12.391 186 HA ASP 26 HA ASP 26 1.440 -2.470 -12.446 187 HB2 ASP 26 HB3 ASP 26 0.605 -1.152 -14.531 188 HB3 ASP 26 HB2 ASP 26 1.636 0.160 -13.972 189 HA PRO 27 HA PRO 27 3.489 -0.180 -9.086 190 HB2 PRO 27 HB3 PRO 27 5.492 -1.950 -8.524 191 HB3 PRO 27 HB2 PRO 27 3.807 -2.256 -8.081 192 HG2 PRO 27 HG3 PRO 27 5.363 -3.298 -10.438 193 HG3 PRO 27 HG2 PRO 27 4.264 -4.172 -9.356 194 HD2 PRO 27 HD3 PRO 27 3.500 -3.259 -11.829 195 HD3 PRO 27 HD2 PRO 27 2.363 -3.422 -10.470 196 H SER 28 H SER 28 5.183 -1.274 -12.013 197 HA SER 28 HA SER 28 7.561 0.329 -11.513 198 HB2 SER 28 HB3 SER 28 8.373 -0.509 -13.693 199 HB3 SER 28 HB2 SER 28 7.836 -1.817 -12.648 200 HG SER 28 HG SER 28 5.910 -0.820 -14.380 201 H ARG 29 H ARG 29 4.598 0.616 -13.365 202 HA ARG 29 HA ARG 29 5.405 2.670 -15.146 203 HB2 ARG 29 HB3 ARG 29 3.264 1.182 -15.233 204 HB3 ARG 29 HB2 ARG 29 2.545 2.352 -14.136 205 HG2 ARG 29 HG3 ARG 29 1.884 2.875 -16.419 206 HG3 ARG 29 HG2 ARG 29 2.958 4.149 -15.830 207 HD2 ARG 29 HD3 ARG 29 4.855 3.088 -17.019 208 HD3 ARG 29 HD2 ARG 29 3.773 1.825 -17.615 209 HE ARG 29 HE ARG 29 2.695 4.248 -18.448 210 HH11 ARG 29 HH11 ARG 29 5.640 2.492 -18.982 211 HH12 ARG 29 HH12 ARG 29 5.861 3.142 -20.567 212 HH21 ARG 29 HH21 ARG 29 3.011 5.055 -20.481 213 HH22 ARG 29 HH22 ARG 29 4.388 4.567 -21.406 214 H ILE 30 H ILE 30 4.429 2.716 -11.806 215 HA ILE 30 HA ILE 30 4.204 5.667 -11.747 216 HB ILE 30 HB ILE 30 2.945 5.412 -9.650 217 HG12 ILE 30 HG12 ILE 30 3.228 2.382 -9.998 218 HG13 ILE 30 HG11 ILE 30 4.117 3.332 -8.814 219 HG21 ILE 30 HG21 ILE 30 1.677 5.345 -11.762 220 HG22 ILE 30 HG22 ILE 30 0.900 4.337 -10.540 221 HG23 ILE 30 HG23 ILE 30 1.848 3.589 -11.830 222 HD11 ILE 30 HD11 ILE 30 2.278 2.228 -7.750 223 HD12 ILE 30 HD12 ILE 30 1.138 2.907 -8.910 224 HD13 ILE 30 HD13 ILE 30 1.970 3.969 -7.766 225 H THR 31 H THR 31 6.733 3.649 -11.369 226 HA THR 31 HA THR 31 7.648 4.008 -8.727 227 HB THR 31 HB THR 31 10.029 3.592 -9.640 228 HG1 THR 31 HG1 THR 31 10.324 3.438 -11.704 229 HG21 THR 31 HG21 THR 31 9.623 1.198 -10.047 230 HG22 THR 31 HG22 THR 31 7.895 1.522 -10.212 231 HG23 THR 31 HG23 THR 31 8.697 1.791 -8.665 232 HA PRO 32 HA PRO 32 10.197 7.995 -10.036 233 HB2 PRO 32 HB3 PRO 32 9.327 9.471 -12.185 234 HB3 PRO 32 HB2 PRO 32 10.552 8.203 -12.328 235 HG2 PRO 32 HG3 PRO 32 7.589 8.041 -12.888 236 HG3 PRO 32 HG2 PRO 32 8.945 7.456 -13.879 237 HD2 PRO 32 HD3 PRO 32 7.540 5.772 -12.292 238 HD3 PRO 32 HD2 PRO 32 9.291 5.569 -12.524 239 H TYR 33 H TYR 33 6.718 7.807 -10.587 240 HA TYR 33 HA TYR 33 5.942 10.306 -9.488 241 HB2 TYR 33 HB2 TYR 33 4.424 8.959 -10.897 242 HB3 TYR 33 HB1 TYR 33 4.394 7.683 -9.684 243 HD1 TYR 33 HD1 TYR 33 2.704 7.714 -7.990 244 HD2 TYR 33 HD2 TYR 33 3.564 11.309 -10.159 245 HE1 TYR 33 HE1 TYR 33 0.831 8.857 -6.876 246 HE2 TYR 33 HE2 TYR 33 1.678 12.427 -9.051 247 HH TYR 33 HH TYR 33 -0.462 11.746 -7.947 248 H LEU 34 H LEU 34 6.336 7.061 -8.051 249 HA LEU 34 HA LEU 34 5.557 7.791 -5.389 250 HB2 LEU 34 HB3 LEU 34 7.146 5.409 -6.396 251 HB3 LEU 34 HB2 LEU 34 6.552 5.577 -4.751 252 HG LEU 34 HG LEU 34 4.855 5.275 -7.259 253 HD11 LEU 34 HD11 LEU 34 4.211 3.102 -6.316 254 HD12 LEU 34 HD12 LEU 34 5.303 3.353 -4.952 255 HD13 LEU 34 HD13 LEU 34 5.950 3.200 -6.587 256 HD21 LEU 34 HD21 LEU 34 3.918 5.598 -4.381 257 HD22 LEU 34 HD22 LEU 34 2.891 5.209 -5.764 258 HD23 LEU 34 HD23 LEU 34 3.709 6.766 -5.690 259 H ARG 35 H ARG 35 8.646 7.759 -7.123 260 HA ARG 35 HA ARG 35 10.382 8.461 -4.989 261 HB2 ARG 35 HB3 ARG 35 10.503 9.186 -7.944 262 HB3 ARG 35 HB2 ARG 35 11.801 9.534 -6.807 263 HG2 ARG 35 HG3 ARG 35 10.787 6.760 -7.496 264 HG3 ARG 35 HG2 ARG 35 12.218 7.527 -8.184 265 HD2 ARG 35 HD3 ARG 35 13.054 7.736 -5.743 266 HD3 ARG 35 HD2 ARG 35 11.775 6.579 -5.345 267 HE ARG 35 HE ARG 35 12.873 5.145 -7.146 268 HH11 ARG 35 HH11 ARG 35 14.700 7.236 -5.073 269 HH12 ARG 35 HH12 ARG 35 16.173 6.386 -5.360 270 HH21 ARG 35 HH21 ARG 35 14.792 4.119 -7.508 271 HH22 ARG 35 HH22 ARG 35 16.228 4.660 -6.713 272 H GLN 36 H GLN 36 8.556 10.549 -7.278 273 HA GLN 36 HA GLN 36 9.097 13.074 -6.189 274 HB2 GLN 36 HB3 GLN 36 7.932 12.744 -8.344 275 HB3 GLN 36 HB2 GLN 36 6.539 12.067 -7.509 276 HG2 GLN 36 HG3 GLN 36 6.154 14.277 -6.413 277 HG3 GLN 36 HG2 GLN 36 7.513 14.937 -7.325 278 HE21 GLN 36 HE21 GLN 36 4.236 13.696 -7.559 279 HE22 GLN 36 HE22 GLN 36 3.897 14.348 -9.120 280 H CYS 37 H CYS 37 6.641 10.696 -5.252 281 HA CYS 37 HA CYS 37 5.412 12.204 -3.154 282 HB2 CYS 37 HB3 CYS 37 5.425 9.218 -3.716 283 HB3 CYS 37 HB2 CYS 37 4.385 10.003 -2.530 284 HG CYS 37 HG CYS 37 3.979 9.666 -5.806 285 H LYS 38 H LYS 38 8.417 10.578 -3.314 286 HA LYS 38 HA LYS 38 10.042 9.942 -1.897 287 HB2 LYS 38 HB3 LYS 38 8.642 11.856 0.010 288 HB3 LYS 38 HB2 LYS 38 10.236 11.169 0.303 289 HG2 LYS 38 HG3 LYS 38 9.479 13.006 -1.995 290 HG3 LYS 38 HG2 LYS 38 10.381 13.470 -0.550 291 HD2 LYS 38 HD3 LYS 38 11.310 11.492 -2.679 292 HD3 LYS 38 HD2 LYS 38 11.869 13.155 -2.502 293 HE2 LYS 38 HE3 LYS 38 12.272 10.928 -0.470 294 HE3 LYS 38 HE2 LYS 38 13.495 11.541 -1.583 295 HZ1 LYS 38 HZ1 LYS 38 13.334 13.700 -0.502 296 HZ2 LYS 38 HZ2 LYS 38 13.758 12.492 0.601 297 HZ3 LYS 38 HZ3 LYS 38 12.181 13.096 0.581 298 H VAL 39 H VAL 39 7.383 8.442 -1.795 299 HA VAL 39 HA VAL 39 7.506 7.164 0.859 300 HB VAL 39 HB VAL 39 5.434 5.980 0.174 301 HG11 VAL 39 HG11 VAL 39 5.297 8.998 -0.265 302 HG12 VAL 39 HG12 VAL 39 5.247 8.169 1.293 303 HG13 VAL 39 HG13 VAL 39 3.929 7.953 0.144 304 HG21 VAL 39 HG21 VAL 39 4.282 6.565 -1.966 305 HG22 VAL 39 HG22 VAL 39 5.832 5.773 -2.248 306 HG23 VAL 39 HG23 VAL 39 5.690 7.518 -2.452 307 H LEU 40 H LEU 40 8.712 6.687 -2.290 308 HA LEU 40 HA LEU 40 9.158 3.776 -1.964 309 HB2 LEU 40 HB3 LEU 40 8.034 4.687 -4.059 310 HB3 LEU 40 HB2 LEU 40 9.535 5.508 -4.439 311 HG LEU 40 HG LEU 40 10.652 3.197 -4.458 312 HD11 LEU 40 HD11 LEU 40 9.213 1.247 -4.808 313 HD12 LEU 40 HD12 LEU 40 7.778 2.230 -4.510 314 HD13 LEU 40 HD13 LEU 40 8.950 1.958 -3.217 315 HD21 LEU 40 HD21 LEU 40 9.925 2.678 -6.739 316 HD22 LEU 40 HD22 LEU 40 10.158 4.412 -6.530 317 HD23 LEU 40 HD23 LEU 40 8.525 3.740 -6.555 318 H ASN 41 H ASN 41 11.156 3.157 -1.312 319 HA ASN 41 HA ASN 41 13.445 4.991 -1.420 320 HB2 ASN 41 HB3 ASN 41 13.234 2.184 -0.237 321 HB3 ASN 41 HB2 ASN 41 14.602 3.277 -0.046 322 HD21 ASN 41 HD21 ASN 41 11.337 2.590 0.918 323 HD22 ASN 41 HD22 ASN 41 11.273 3.713 2.227 324 HA PRO 42 HA PRO 42 15.581 3.466 -5.053 325 HB2 PRO 42 HB3 PRO 42 18.123 2.752 -3.992 326 HB3 PRO 42 HB2 PRO 42 17.641 4.352 -4.568 327 HG2 PRO 42 HG3 PRO 42 17.635 3.261 -1.761 328 HG3 PRO 42 HG2 PRO 42 18.130 4.868 -2.341 329 HD2 PRO 42 HD3 PRO 42 15.774 4.574 -1.157 330 HD3 PRO 42 HD2 PRO 42 15.893 5.591 -2.613 331 H ASP 43 H ASP 43 16.158 1.286 -2.240 332 HA ASP 43 HA ASP 43 16.726 -1.055 -3.784 333 HB2 ASP 43 HB3 ASP 43 15.794 -0.852 -0.887 334 HB3 ASP 43 HB2 ASP 43 16.530 -2.272 -1.630 335 H ASP 44 H ASP 44 13.711 0.314 -2.546 336 HA ASP 44 HA ASP 44 12.007 -1.932 -3.016 337 HB2 ASP 44 HB3 ASP 44 11.309 1.035 -2.999 338 HB3 ASP 44 HB2 ASP 44 10.136 -0.277 -2.940 339 H GLU 45 H GLU 45 12.687 1.019 -4.925 340 HA GLU 45 HA GLU 45 11.190 0.407 -7.217 341 HB2 GLU 45 HB3 GLU 45 12.146 2.663 -6.756 342 HB3 GLU 45 HB2 GLU 45 13.764 2.036 -7.059 343 HG2 GLU 45 HG3 GLU 45 13.146 1.552 -9.395 344 HG3 GLU 45 HG2 GLU 45 11.519 2.151 -9.094 345 H GLU 46 H GLU 46 14.516 -0.440 -6.343 346 HA GLU 46 HA GLU 46 15.293 -1.701 -8.754 347 HB2 GLU 46 HB3 GLU 46 16.935 -1.004 -7.037 348 HB3 GLU 46 HB2 GLU 46 16.286 -2.194 -5.914 349 HG2 GLU 46 HG3 GLU 46 17.006 -4.012 -7.444 350 HG3 GLU 46 HG2 GLU 46 17.681 -2.805 -8.540 351 H GLN 47 H GLN 47 13.671 -2.955 -5.818 352 HA GLN 47 HA GLN 47 13.630 -5.707 -6.554 353 HB2 GLN 47 HB3 GLN 47 13.215 -5.001 -4.223 354 HB3 GLN 47 HB2 GLN 47 11.737 -4.179 -4.714 355 HG2 GLN 47 HG3 GLN 47 10.726 -6.342 -5.330 356 HG3 GLN 47 HG2 GLN 47 12.212 -7.176 -4.881 357 HE21 GLN 47 HE21 GLN 47 12.740 -7.346 -2.661 358 HE22 GLN 47 HE22 GLN 47 11.567 -7.090 -1.425 359 H VAL 48 H VAL 48 11.286 -3.081 -7.036 360 HA VAL 48 HA VAL 48 9.273 -4.513 -8.402 361 HB VAL 48 HB VAL 48 10.053 -1.567 -8.608 362 HG11 VAL 48 HG11 VAL 48 7.504 -2.916 -9.580 363 HG12 VAL 48 HG12 VAL 48 8.755 -2.194 -10.594 364 HG13 VAL 48 HG13 VAL 48 7.785 -1.174 -9.534 365 HG21 VAL 48 HG21 VAL 48 9.378 -2.252 -6.331 366 HG22 VAL 48 HG22 VAL 48 7.866 -2.910 -6.960 367 HG23 VAL 48 HG23 VAL 48 8.175 -1.174 -7.040 368 H LEU 49 H LEU 49 12.147 -2.807 -9.641 369 HA LEU 49 HA LEU 49 11.601 -3.573 -12.417 370 HB2 LEU 49 HB3 LEU 49 13.816 -1.890 -11.190 371 HB3 LEU 49 HB2 LEU 49 13.585 -2.132 -12.918 372 HG LEU 49 HG LEU 49 11.517 -0.811 -11.106 373 HD11 LEU 49 HD11 LEU 49 13.545 0.568 -11.180 374 HD12 LEU 49 HD12 LEU 49 12.203 1.341 -12.018 375 HD13 LEU 49 HD13 LEU 49 13.497 0.571 -12.945 376 HD21 LEU 49 HD21 LEU 49 10.549 -1.829 -13.120 377 HD22 LEU 49 HD22 LEU 49 11.688 -0.948 -14.140 378 HD23 LEU 49 HD23 LEU 49 10.470 -0.070 -13.211 379 H SER 50 H SER 50 12.867 -5.277 -9.950 380 HA SER 50 HA SER 50 15.345 -6.317 -10.842 381 HB2 SER 50 HB3 SER 50 14.560 -6.662 -8.537 382 HB3 SER 50 HB2 SER 50 13.205 -7.632 -9.111 383 HG SER 50 HG SER 50 14.530 -9.244 -8.857 384 H ASP 51 H ASP 51 12.045 -7.221 -11.595 385 HA ASP 51 HA ASP 51 12.564 -9.660 -12.996 386 HB2 ASP 51 HB3 ASP 51 10.194 -7.752 -13.047 387 HB3 ASP 51 HB2 ASP 51 10.205 -9.331 -13.818 388 HA PRO 52 HA PRO 52 13.529 -7.845 -17.104 389 HB2 PRO 52 HB3 PRO 52 13.044 -10.014 -18.707 390 HB3 PRO 52 HB2 PRO 52 14.473 -9.891 -17.673 391 HG2 PRO 52 HG3 PRO 52 11.893 -11.372 -17.175 392 HG3 PRO 52 HG2 PRO 52 13.563 -11.912 -16.898 393 HD2 PRO 52 HD3 PRO 52 11.959 -10.955 -14.898 394 HD3 PRO 52 HD2 PRO 52 13.725 -10.773 -14.873 395 H ASN 53 H ASN 53 10.488 -9.782 -16.863 396 HA ASN 53 HA ASN 53 9.139 -7.968 -18.795 397 HB2 ASN 53 HB3 ASN 53 8.348 -10.805 -18.004 398 HB3 ASN 53 HB2 ASN 53 7.602 -9.827 -19.267 399 HD21 ASN 53 HD21 ASN 53 8.853 -9.383 -21.184 400 HD22 ASN 53 HD22 ASN 53 10.147 -10.424 -21.639 401 H LEU 54 H LEU 54 9.267 -8.801 -15.519 402 HA LEU 54 HA LEU 54 8.039 -8.518 -13.664 403 HB2 LEU 54 HB3 LEU 54 6.849 -6.238 -15.261 404 HB3 LEU 54 HB2 LEU 54 6.530 -6.501 -13.558 405 HG LEU 54 HG LEU 54 9.082 -6.263 -13.205 406 HD11 LEU 54 HD11 LEU 54 8.972 -5.025 -15.970 407 HD12 LEU 54 HD12 LEU 54 9.839 -6.495 -15.518 408 HD13 LEU 54 HD13 LEU 54 10.333 -4.943 -14.845 409 HD21 LEU 54 HD21 LEU 54 7.483 -3.846 -14.093 410 HD22 LEU 54 HD22 LEU 54 8.946 -3.816 -13.102 411 HD23 LEU 54 HD23 LEU 54 7.483 -4.575 -12.483 412 H VAL 55 H VAL 55 7.182 -10.650 -14.764 413 HA VAL 55 HA VAL 55 4.335 -10.709 -15.296 414 HB VAL 55 HB VAL 55 4.585 -13.152 -15.463 415 HG11 VAL 55 HG11 VAL 55 5.155 -11.804 -17.436 416 HG12 VAL 55 HG12 VAL 55 6.168 -13.246 -17.366 417 HG13 VAL 55 HG13 VAL 55 6.834 -11.679 -16.899 418 HG21 VAL 55 HG21 VAL 55 6.176 -13.563 -13.627 419 HG22 VAL 55 HG22 VAL 55 7.464 -12.762 -14.526 420 HG23 VAL 55 HG23 VAL 55 6.781 -14.275 -15.125 421 H ILE 56 H ILE 56 6.213 -10.666 -12.447 422 HA ILE 56 HA ILE 56 4.379 -12.255 -10.783 423 HB ILE 56 HB ILE 56 6.943 -10.835 -9.895 424 HG12 ILE 56 HG12 ILE 56 6.763 -13.699 -10.957 425 HG13 ILE 56 HG11 ILE 56 7.427 -12.344 -11.862 426 HG21 ILE 56 HG21 ILE 56 5.543 -13.278 -8.733 427 HG22 ILE 56 HG22 ILE 56 5.533 -11.655 -8.043 428 HG23 ILE 56 HG23 ILE 56 7.040 -12.563 -8.128 429 HD11 ILE 56 HD11 ILE 56 8.548 -13.470 -9.291 430 HD12 ILE 56 HD12 ILE 56 9.215 -12.111 -10.201 431 HD13 ILE 56 HD13 ILE 56 9.182 -13.721 -10.918 432 H ARG 57 H ARG 57 3.860 -9.347 -11.929 433 HA ARG 57 HA ARG 57 3.936 -7.348 -10.008 434 HB2 ARG 57 HB3 ARG 57 2.052 -7.814 -12.324 435 HB3 ARG 57 HB2 ARG 57 1.847 -6.403 -11.291 436 HG2 ARG 57 HG3 ARG 57 4.066 -5.588 -11.874 437 HG3 ARG 57 HG2 ARG 57 4.395 -7.042 -12.818 438 HD2 ARG 57 HD3 ARG 57 2.732 -6.451 -14.459 439 HD3 ARG 57 HD2 ARG 57 2.104 -5.149 -13.448 440 HE ARG 57 HE ARG 57 4.026 -3.851 -13.940 441 HH11 ARG 57 HH11 ARG 57 4.012 -6.777 -15.803 442 HH12 ARG 57 HH12 ARG 57 5.029 -6.104 -17.026 443 HH21 ARG 57 HH21 ARG 57 5.304 -3.034 -15.511 444 HH22 ARG 57 HH22 ARG 57 5.741 -4.014 -16.867 445 H LYS 58 H LYS 58 1.435 -9.833 -10.334 446 HA LYS 58 HA LYS 58 -0.509 -8.831 -8.565 447 HB2 LYS 58 HB3 LYS 58 -0.899 -10.676 -10.150 448 HB3 LYS 58 HB2 LYS 58 0.185 -11.711 -9.229 449 HG2 LYS 58 HG3 LYS 58 -1.394 -11.597 -7.298 450 HG3 LYS 58 HG2 LYS 58 -2.488 -10.617 -8.280 451 HD2 LYS 58 HD3 LYS 58 -3.188 -12.991 -8.238 452 HD3 LYS 58 HD2 LYS 58 -2.765 -12.471 -9.872 453 HE2 LYS 58 HE3 LYS 58 -0.530 -13.550 -9.611 454 HE3 LYS 58 HE2 LYS 58 -1.003 -14.109 -8.004 455 HZ1 LYS 58 HZ1 LYS 58 -2.314 -14.843 -10.561 456 HZ2 LYS 58 HZ2 LYS 58 -2.793 -15.366 -9.029 457 HZ3 LYS 58 HZ3 LYS 58 -1.289 -15.830 -9.647 458 H ARG 59 H ARG 59 2.487 -10.547 -7.857 459 HA ARG 59 HA ARG 59 1.971 -10.646 -4.974 460 HB2 ARG 59 HB3 ARG 59 3.320 -12.431 -6.163 461 HB3 ARG 59 HB2 ARG 59 4.562 -11.222 -6.477 462 HG2 ARG 59 HG3 ARG 59 4.729 -10.915 -3.944 463 HG3 ARG 59 HG2 ARG 59 3.695 -12.337 -3.789 464 HD2 ARG 59 HD3 ARG 59 5.963 -13.074 -3.543 465 HD3 ARG 59 HD2 ARG 59 5.419 -13.620 -5.133 466 HE ARG 59 HE ARG 59 6.667 -11.121 -5.426 467 HH11 ARG 59 HH11 ARG 59 7.578 -14.390 -4.690 468 HH12 ARG 59 HH12 ARG 59 9.198 -14.160 -5.240 469 HH21 ARG 59 HH21 ARG 59 8.733 -10.871 -6.100 470 HH22 ARG 59 HH22 ARG 59 9.841 -12.193 -6.020 471 H LYS 60 H LYS 60 3.970 -8.837 -7.297 472 HA LYS 60 HA LYS 60 5.721 -7.572 -5.496 473 HB2 LYS 60 HB3 LYS 60 4.909 -6.667 -8.286 474 HB3 LYS 60 HB2 LYS 60 6.326 -6.088 -7.408 475 HG2 LYS 60 HG3 LYS 60 7.344 -8.290 -7.472 476 HG3 LYS 60 HG2 LYS 60 5.875 -8.997 -8.142 477 HD2 LYS 60 HD3 LYS 60 7.321 -8.785 -10.003 478 HD3 LYS 60 HD2 LYS 60 6.205 -7.427 -10.156 479 HE2 LYS 60 HE3 LYS 60 8.442 -6.665 -10.632 480 HE3 LYS 60 HE2 LYS 60 7.938 -5.963 -9.092 481 HZ1 LYS 60 HZ1 LYS 60 10.212 -6.847 -9.072 482 HZ2 LYS 60 HZ2 LYS 60 9.615 -8.396 -9.375 483 HZ3 LYS 60 HZ3 LYS 60 9.227 -7.609 -7.931 484 H VAL 61 H VAL 61 2.651 -6.274 -6.884 485 HA VAL 61 HA VAL 61 2.828 -3.701 -5.645 486 HB VAL 61 HB VAL 61 0.276 -5.170 -6.446 487 HG11 VAL 61 HG11 VAL 61 -0.213 -3.253 -4.988 488 HG12 VAL 61 HG12 VAL 61 -0.760 -2.920 -6.630 489 HG13 VAL 61 HG13 VAL 61 0.731 -2.186 -6.032 490 HG21 VAL 61 HG21 VAL 61 1.791 -5.022 -8.364 491 HG22 VAL 61 HG22 VAL 61 1.959 -3.284 -8.124 492 HG23 VAL 61 HG23 VAL 61 0.398 -3.961 -8.595 493 H GLY 62 H GLY 62 1.437 -6.805 -4.617 494 HA2 GLY 62 HA3 GLY 62 0.083 -5.996 -2.264 495 HA3 GLY 62 HA2 GLY 62 0.662 -7.617 -2.612 496 H VAL 63 H VAL 63 3.394 -7.235 -2.720 497 HA VAL 63 HA VAL 63 4.275 -6.994 -0.016 498 HB VAL 63 HB VAL 63 5.951 -6.863 -2.572 499 HG11 VAL 63 HG11 VAL 63 7.854 -7.595 -1.158 500 HG12 VAL 63 HG12 VAL 63 6.830 -7.503 0.276 501 HG13 VAL 63 HG13 VAL 63 7.216 -6.037 -0.625 502 HG21 VAL 63 HG21 VAL 63 4.614 -8.929 -2.501 503 HG22 VAL 63 HG22 VAL 63 5.218 -9.295 -0.885 504 HG23 VAL 63 HG23 VAL 63 6.323 -9.297 -2.261 505 H LEU 64 H LEU 64 4.353 -4.801 -2.816 506 HA LEU 64 HA LEU 64 5.865 -2.701 -1.733 507 HB2 LEU 64 HB3 LEU 64 5.342 -2.957 -4.151 508 HB3 LEU 64 HB2 LEU 64 3.670 -2.531 -3.831 509 HG LEU 64 HG LEU 64 4.384 -0.246 -3.132 510 HD11 LEU 64 HD11 LEU 64 7.183 -1.105 -3.931 511 HD12 LEU 64 HD12 LEU 64 6.625 -0.736 -2.295 512 HD13 LEU 64 HD13 LEU 64 6.676 0.534 -3.512 513 HD21 LEU 64 HD21 LEU 64 3.707 -0.626 -5.463 514 HD22 LEU 64 HD22 LEU 64 5.370 -1.022 -5.903 515 HD23 LEU 64 HD23 LEU 64 4.960 0.610 -5.366 516 H LEU 65 H LEU 65 2.352 -3.320 -1.471 517 HA LEU 65 HA LEU 65 1.644 -0.836 -0.265 518 HB2 LEU 65 HB3 LEU 65 0.273 -3.547 -0.137 519 HB3 LEU 65 HB2 LEU 65 -0.425 -2.076 0.531 520 HG LEU 65 HG LEU 65 0.167 -2.625 -2.405 521 HD11 LEU 65 HD11 LEU 65 -2.258 -2.462 -2.720 522 HD12 LEU 65 HD12 LEU 65 -2.485 -2.223 -0.984 523 HD13 LEU 65 HD13 LEU 65 -1.847 -3.752 -1.591 524 HD21 LEU 65 HD21 LEU 65 -0.910 -0.078 -1.149 525 HD22 LEU 65 HD22 LEU 65 -0.788 -0.410 -2.878 526 HD23 LEU 65 HD23 LEU 65 0.672 -0.286 -1.907 527 H ASP 66 H ASP 66 2.727 -3.910 1.144 528 HA ASP 66 HA ASP 66 2.505 -3.199 3.886 529 HB2 ASP 66 HB3 ASP 66 2.866 -5.547 3.030 530 HB3 ASP 66 HB2 ASP 66 4.519 -5.115 2.617 531 H ILE 67 H ILE 67 5.072 -2.727 1.485 532 HA ILE 67 HA ILE 67 7.074 -1.567 3.122 533 HB ILE 67 HB ILE 67 6.502 -1.232 0.146 534 HG12 ILE 67 HG12 ILE 67 8.594 -2.968 1.547 535 HG13 ILE 67 HG11 ILE 67 7.059 -3.560 0.920 536 HG21 ILE 67 HG21 ILE 67 9.002 -0.369 1.644 537 HG22 ILE 67 HG22 ILE 67 7.827 0.692 0.864 538 HG23 ILE 67 HG23 ILE 67 8.819 -0.388 -0.110 539 HD11 ILE 67 HD11 ILE 67 9.311 -2.381 -0.712 540 HD12 ILE 67 HD12 ILE 67 7.765 -2.947 -1.353 541 HD13 ILE 67 HD13 ILE 67 8.872 -4.086 -0.588 542 H LEU 68 H LEU 68 4.499 -0.044 1.156 543 HA LEU 68 HA LEU 68 5.152 2.660 1.776 544 HB2 LEU 68 HB3 LEU 68 2.516 1.489 0.818 545 HB3 LEU 68 HB2 LEU 68 2.931 3.196 0.802 546 HG LEU 68 HG LEU 68 4.292 1.036 -0.859 547 HD11 LEU 68 HD11 LEU 68 2.010 1.437 -1.625 548 HD12 LEU 68 HD12 LEU 68 3.176 2.046 -2.796 549 HD13 LEU 68 HD13 LEU 68 2.323 3.172 -1.735 550 HD21 LEU 68 HD21 LEU 68 5.860 2.838 -0.303 551 HD22 LEU 68 HD22 LEU 68 4.725 4.040 -0.920 552 HD23 LEU 68 HD23 LEU 68 5.448 2.863 -2.017 553 H GLN 69 H GLN 69 3.041 0.253 3.276 554 HA GLN 69 HA GLN 69 1.679 1.762 5.197 555 HB2 GLN 69 HB3 GLN 69 1.228 -0.619 4.718 556 HB3 GLN 69 HB2 GLN 69 2.767 -1.073 5.439 557 HG2 GLN 69 HG3 GLN 69 1.962 -0.280 7.637 558 HG3 GLN 69 HG2 GLN 69 0.425 0.181 6.904 559 HE21 GLN 69 HE21 GLN 69 -0.762 -1.213 8.213 560 HE22 GLN 69 HE22 GLN 69 -0.711 -2.929 8.047 561 H ARG 70 H ARG 70 5.012 0.727 5.154 562 HA ARG 70 HA ARG 70 5.652 1.256 7.891 563 HB2 ARG 70 HB3 ARG 70 7.590 1.081 5.554 564 HB3 ARG 70 HB2 ARG 70 7.974 0.858 7.259 565 HG2 ARG 70 HG3 ARG 70 6.297 -0.968 5.502 566 HG3 ARG 70 HG2 ARG 70 7.894 -1.312 6.168 567 HD2 ARG 70 HD3 ARG 70 7.022 -1.481 8.397 568 HD3 ARG 70 HD2 ARG 70 5.469 -0.793 7.919 569 HE ARG 70 HE ARG 70 5.867 -3.165 6.466 570 HH11 ARG 70 HH11 ARG 70 5.261 -2.197 9.738 571 HH12 ARG 70 HH12 ARG 70 4.416 -3.653 10.113 572 HH21 ARG 70 HH21 ARG 70 4.754 -4.994 6.995 573 HH22 ARG 70 HH22 ARG 70 4.122 -5.189 8.591 574 H THR 71 H THR 71 5.030 3.427 5.313 575 HA THR 71 HA THR 71 6.464 5.649 6.662 576 HB THR 71 HB THR 71 5.957 7.057 4.765 577 HG1 THR 71 HG1 THR 71 4.516 5.091 3.375 578 HG21 THR 71 HG21 THR 71 6.929 5.846 2.846 579 HG22 THR 71 HG22 THR 71 6.659 4.306 3.666 580 HG23 THR 71 HG23 THR 71 7.806 5.471 4.332 581 H GLY 72 H GLY 72 3.707 4.067 7.326 582 HA2 GLY 72 HA3 GLY 72 1.895 4.603 8.640 583 HA3 GLY 72 HA2 GLY 72 2.455 6.268 8.687 584 H HIS 73 H HIS 73 0.957 7.615 7.909 585 HA HIS 73 HA HIS 73 -1.135 6.718 6.074 586 HB2 HIS 73 HB2 HIS 73 -1.581 8.077 8.176 587 HB3 HIS 73 HB1 HIS 73 -0.846 9.464 7.375 588 HD2 HIS 73 HD2 HIS 73 -2.448 10.711 5.451 589 HE1 HIS 73 HE1 HIS 73 -5.846 8.293 6.135 590 HE2 HIS 73 HE2 HIS 73 -4.946 10.313 4.915 591 H LYS 74 H LYS 74 1.841 8.517 5.877 592 HA LYS 74 HA LYS 74 1.417 10.253 3.714 593 HB2 LYS 74 HB3 LYS 74 3.933 8.757 4.552 594 HB3 LYS 74 HB2 LYS 74 3.932 9.985 3.288 595 HG2 LYS 74 HG3 LYS 74 3.161 11.672 4.912 596 HG3 LYS 74 HG2 LYS 74 3.152 10.451 6.184 597 HD2 LYS 74 HD3 LYS 74 5.628 11.313 4.630 598 HD3 LYS 74 HD2 LYS 74 5.186 11.924 6.225 599 HE2 LYS 74 HE3 LYS 74 5.825 9.024 5.560 600 HE3 LYS 74 HE2 LYS 74 6.911 10.160 6.361 601 HZ1 LYS 74 HZ1 LYS 74 5.297 10.330 8.171 602 HZ2 LYS 74 HZ2 LYS 74 5.839 8.745 7.968 603 HZ3 LYS 74 HZ3 LYS 74 4.308 9.188 7.414 604 H GLY 75 H GLY 75 2.518 6.863 3.631 605 HA2 GLY 75 HA3 GLY 75 2.706 6.510 0.839 606 HA3 GLY 75 HA2 GLY 75 2.438 5.239 2.021 607 H TYR 76 H TYR 76 -0.073 6.280 3.013 608 HA TYR 76 HA TYR 76 -1.881 4.996 1.230 609 HB2 TYR 76 HB2 TYR 76 -2.214 4.974 3.667 610 HB3 TYR 76 HB1 TYR 76 -2.418 6.722 3.688 611 HD1 TYR 76 HD1 TYR 76 -4.624 7.536 3.751 612 HD2 TYR 76 HD2 TYR 76 -3.934 3.685 2.035 613 HE1 TYR 76 HE1 TYR 76 -7.046 7.236 3.456 614 HE2 TYR 76 HE2 TYR 76 -6.352 3.388 1.743 615 HH TYR 76 HH TYR 76 -8.568 5.899 1.988 616 H VAL 77 H VAL 77 -1.375 8.440 2.054 617 HA VAL 77 HA VAL 77 -3.376 9.557 0.385 618 HB VAL 77 HB VAL 77 -0.734 10.884 1.167 619 HG11 VAL 77 HG11 VAL 77 -3.400 12.131 0.377 620 HG12 VAL 77 HG12 VAL 77 -1.941 12.092 -0.616 621 HG13 VAL 77 HG13 VAL 77 -1.959 13.017 0.886 622 HG21 VAL 77 HG21 VAL 77 -3.371 10.883 2.683 623 HG22 VAL 77 HG22 VAL 77 -1.934 11.816 3.114 624 HG23 VAL 77 HG23 VAL 77 -1.891 10.055 3.172 625 H ALA 78 H ALA 78 0.121 9.097 -0.150 626 HA ALA 78 HA ALA 78 0.368 9.955 -2.799 627 HB1 ALA 78 HB1 ALA 78 2.448 8.631 -2.845 628 HB2 ALA 78 HB2 ALA 78 1.944 7.778 -1.383 629 HB3 ALA 78 HB3 ALA 78 2.284 9.508 -1.323 630 H PHE 79 H PHE 79 -0.559 6.778 -1.534 631 HA PHE 79 HA PHE 79 -0.685 5.338 -3.977 632 HB2 PHE 79 HB2 PHE 79 -0.624 4.219 -1.779 633 HB3 PHE 79 HB1 PHE 79 -2.189 4.902 -1.357 634 HD1 PHE 79 HD1 PHE 79 -4.139 3.622 -1.783 635 HD2 PHE 79 HD2 PHE 79 -0.549 2.716 -3.917 636 HE1 PHE 79 HE1 PHE 79 -5.222 1.650 -2.782 637 HE2 PHE 79 HE2 PHE 79 -1.638 0.752 -4.903 638 HZ PHE 79 HZ PHE 79 -3.972 0.214 -4.337 639 H LEU 80 H LEU 80 -3.224 7.069 -2.111 640 HA LEU 80 HA LEU 80 -5.379 6.588 -3.896 641 HB2 LEU 80 HB3 LEU 80 -4.978 8.810 -1.870 642 HB3 LEU 80 HB2 LEU 80 -6.482 8.550 -2.740 643 HG LEU 80 HG LEU 80 -5.217 6.695 -0.688 644 HD11 LEU 80 HD11 LEU 80 -7.262 7.142 0.608 645 HD12 LEU 80 HD12 LEU 80 -7.813 8.264 -0.639 646 HD13 LEU 80 HD13 LEU 80 -6.350 8.615 0.284 647 HD21 LEU 80 HD21 LEU 80 -7.182 5.215 -0.981 648 HD22 LEU 80 HD22 LEU 80 -6.189 5.291 -2.433 649 HD23 LEU 80 HD23 LEU 80 -7.709 6.189 -2.359 650 H GLU 81 H GLU 81 -2.946 9.133 -3.821 651 HA GLU 81 HA GLU 81 -4.054 10.782 -5.884 652 HB2 GLU 81 HB3 GLU 81 -1.230 10.557 -4.768 653 HB3 GLU 81 HB2 GLU 81 -1.737 11.792 -5.920 654 HG2 GLU 81 HG3 GLU 81 -3.334 12.690 -4.290 655 HG3 GLU 81 HG2 GLU 81 -2.903 11.424 -3.143 656 H SER 82 H SER 82 -1.652 8.126 -5.850 657 HA SER 82 HA SER 82 -1.013 8.060 -8.612 658 HB2 SER 82 HB3 SER 82 0.282 6.772 -6.942 659 HB3 SER 82 HB2 SER 82 -1.110 5.735 -6.634 660 HG SER 82 HG SER 82 -0.274 4.558 -8.166 661 H LEU 83 H LEU 83 -3.636 6.515 -6.796 662 HA LEU 83 HA LEU 83 -4.866 5.119 -8.927 663 HB2 LEU 83 HB3 LEU 83 -6.015 6.242 -6.352 664 HB3 LEU 83 HB2 LEU 83 -6.941 5.247 -7.464 665 HG LEU 83 HG LEU 83 -4.466 4.343 -5.945 666 HD11 LEU 83 HD11 LEU 83 -7.393 3.671 -5.499 667 HD12 LEU 83 HD12 LEU 83 -6.358 4.635 -4.441 668 HD13 LEU 83 HD13 LEU 83 -6.028 2.920 -4.668 669 HD21 LEU 83 HD21 LEU 83 -6.306 2.770 -7.780 670 HD22 LEU 83 HD22 LEU 83 -5.011 2.092 -6.792 671 HD23 LEU 83 HD23 LEU 83 -4.622 3.203 -8.101 672 H GLU 84 H GLU 84 -5.651 8.343 -7.514 673 HA GLU 84 HA GLU 84 -7.768 8.922 -9.287 674 HB2 GLU 84 HB3 GLU 84 -7.488 10.036 -7.085 675 HB3 GLU 84 HB2 GLU 84 -6.084 10.896 -7.694 676 HG2 GLU 84 HG3 GLU 84 -7.954 12.397 -7.685 677 HG3 GLU 84 HG2 GLU 84 -7.548 12.043 -9.358 678 H LEU 85 H LEU 85 -4.278 9.452 -9.621 679 HA LEU 85 HA LEU 85 -4.504 11.129 -11.982 680 HB2 LEU 85 HB3 LEU 85 -2.583 11.116 -10.255 681 HB3 LEU 85 HB2 LEU 85 -2.006 9.667 -11.048 682 HG LEU 85 HG LEU 85 -2.304 12.349 -12.481 683 HD11 LEU 85 HD11 LEU 85 0.114 12.676 -12.190 684 HD12 LEU 85 HD12 LEU 85 0.204 11.218 -11.194 685 HD13 LEU 85 HD13 LEU 85 -0.721 12.614 -10.637 686 HD21 LEU 85 HD21 LEU 85 -2.207 10.445 -14.036 687 HD22 LEU 85 HD22 LEU 85 -0.718 9.876 -13.282 688 HD23 LEU 85 HD23 LEU 85 -0.736 11.413 -14.152 689 H TYR 86 H TYR 86 -3.435 7.715 -11.434 690 HA TYR 86 HA TYR 86 -3.174 7.313 -14.342 691 HB2 TYR 86 HB2 TYR 86 -2.298 5.565 -12.009 692 HB3 TYR 86 HB1 TYR 86 -2.019 5.180 -13.702 693 HD1 TYR 86 HD1 TYR 86 -1.031 7.415 -10.911 694 HD2 TYR 86 HD2 TYR 86 -0.247 6.301 -14.965 695 HE1 TYR 86 HE1 TYR 86 1.109 8.613 -10.825 696 HE2 TYR 86 HE2 TYR 86 1.895 7.505 -14.874 697 HH TYR 86 HH TYR 86 2.939 9.316 -13.601 698 H TYR 87 H TYR 87 -4.996 5.952 -11.599 699 HA TYR 87 HA TYR 87 -6.486 4.118 -13.426 700 HB2 TYR 87 HB2 TYR 87 -6.013 3.554 -10.463 701 HB3 TYR 87 HB1 TYR 87 -6.476 2.420 -11.724 702 HD1 TYR 87 HD1 TYR 87 -3.701 3.874 -9.906 703 HD2 TYR 87 HD2 TYR 87 -4.704 1.781 -13.498 704 HE1 TYR 87 HE1 TYR 87 -1.333 3.279 -10.222 705 HE2 TYR 87 HE2 TYR 87 -2.338 1.184 -13.806 706 HH TYR 87 HH TYR 87 0.038 1.648 -11.372 707 HA PRO 88 HA PRO 88 -9.211 7.429 -11.348 708 HB2 PRO 88 HB3 PRO 88 -10.962 7.852 -13.451 709 HB3 PRO 88 HB2 PRO 88 -9.391 8.651 -13.299 710 HG2 PRO 88 HG3 PRO 88 -10.118 6.191 -14.899 711 HG3 PRO 88 HG2 PRO 88 -9.172 7.611 -15.401 712 HD2 PRO 88 HD3 PRO 88 -7.951 5.330 -14.667 713 HD3 PRO 88 HD2 PRO 88 -7.258 6.909 -14.228 714 H GLN 89 H GLN 89 -10.723 4.878 -13.388 715 HA GLN 89 HA GLN 89 -13.223 4.807 -12.011 716 HB2 GLN 89 HB3 GLN 89 -12.724 4.010 -14.410 717 HB3 GLN 89 HB2 GLN 89 -12.029 2.561 -13.699 718 HG2 GLN 89 HG3 GLN 89 -14.273 2.043 -14.388 719 HG3 GLN 89 HG2 GLN 89 -14.258 2.094 -12.625 720 HE21 GLN 89 HE21 GLN 89 -16.501 2.514 -12.517 721 HE22 GLN 89 HE22 GLN 89 -17.180 4.032 -12.968 722 H LEU 90 H LEU 90 -10.194 3.040 -11.671 723 HA LEU 90 HA LEU 90 -11.022 1.101 -9.757 724 HB2 LEU 90 HB3 LEU 90 -8.953 0.841 -11.073 725 HB3 LEU 90 HB2 LEU 90 -8.267 2.260 -10.302 726 HG LEU 90 HG LEU 90 -8.293 1.054 -8.102 727 HD11 LEU 90 HD11 LEU 90 -8.650 -1.367 -8.012 728 HD12 LEU 90 HD12 LEU 90 -9.149 -1.376 -9.704 729 HD13 LEU 90 HD13 LEU 90 -10.118 -0.522 -8.500 730 HD21 LEU 90 HD21 LEU 90 -6.247 1.103 -9.441 731 HD22 LEU 90 HD22 LEU 90 -6.742 -0.362 -10.291 732 HD23 LEU 90 HD23 LEU 90 -6.387 -0.422 -8.564 733 H TYR 91 H TYR 91 -9.539 4.349 -9.430 734 HA TYR 91 HA TYR 91 -9.182 4.508 -6.674 735 HB2 TYR 91 HB2 TYR 91 -8.374 6.291 -8.156 736 HB3 TYR 91 HB1 TYR 91 -10.024 6.732 -8.586 737 HD1 TYR 91 HD1 TYR 91 -7.883 6.359 -5.505 738 HD2 TYR 91 HD2 TYR 91 -10.978 8.586 -7.432 739 HE1 TYR 91 HE1 TYR 91 -7.948 7.911 -3.614 740 HE2 TYR 91 HE2 TYR 91 -11.026 10.149 -5.528 741 HH TYR 91 HH TYR 91 -8.599 10.242 -3.176 742 H LYS 92 H LYS 92 -12.033 5.493 -8.557 743 HA LYS 92 HA LYS 92 -13.811 6.230 -6.553 744 HB2 LYS 92 HB3 LYS 92 -14.122 5.183 -9.361 745 HB3 LYS 92 HB2 LYS 92 -15.563 5.233 -8.363 746 HG2 LYS 92 HG3 LYS 92 -15.311 7.228 -9.813 747 HG3 LYS 92 HG2 LYS 92 -15.415 7.617 -8.098 748 HD2 LYS 92 HD3 LYS 92 -13.004 8.026 -8.004 749 HD3 LYS 92 HD2 LYS 92 -12.818 7.515 -9.684 750 HE2 LYS 92 HE3 LYS 92 -14.121 9.431 -10.458 751 HE3 LYS 92 HE2 LYS 92 -14.487 9.898 -8.794 752 HZ1 LYS 92 HZ1 LYS 92 -12.196 10.417 -8.421 753 HZ2 LYS 92 HZ2 LYS 92 -12.690 11.209 -9.832 754 HZ3 LYS 92 HZ3 LYS 92 -11.745 9.814 -9.933 755 H LYS 93 H LYS 93 -13.135 2.962 -7.790 756 HA LYS 93 HA LYS 93 -15.109 1.573 -6.276 757 HB2 LYS 93 HB3 LYS 93 -14.097 0.593 -8.293 758 HB3 LYS 93 HB2 LYS 93 -12.518 0.568 -7.521 759 HG2 LYS 93 HG3 LYS 93 -13.494 -1.669 -7.536 760 HG3 LYS 93 HG2 LYS 93 -13.321 -1.084 -5.879 761 HD2 LYS 93 HD3 LYS 93 -15.752 -0.477 -5.876 762 HD3 LYS 93 HD2 LYS 93 -15.897 -1.144 -7.506 763 HE2 LYS 93 HE3 LYS 93 -15.125 -2.686 -5.004 764 HE3 LYS 93 HE2 LYS 93 -16.688 -2.744 -5.819 765 HZ1 LYS 93 HZ1 LYS 93 -15.576 -3.657 -7.771 766 HZ2 LYS 93 HZ2 LYS 93 -15.340 -4.636 -6.414 767 HZ3 LYS 93 HZ3 LYS 93 -14.093 -3.635 -6.958 768 H VAL 94 H VAL 94 -11.656 2.250 -5.647 769 HA VAL 94 HA VAL 94 -11.363 0.623 -3.335 770 HB VAL 94 HB VAL 94 -9.714 3.055 -4.161 771 HG11 VAL 94 HG11 VAL 94 -9.309 2.479 -1.800 772 HG12 VAL 94 HG12 VAL 94 -7.900 2.084 -2.784 773 HG13 VAL 94 HG13 VAL 94 -8.987 0.800 -2.248 774 HG21 VAL 94 HG21 VAL 94 -9.789 1.313 -5.913 775 HG22 VAL 94 HG22 VAL 94 -9.240 0.108 -4.751 776 HG23 VAL 94 HG23 VAL 94 -8.178 1.442 -5.209 777 H THR 95 H THR 95 -11.863 4.170 -3.613 778 HA THR 95 HA THR 95 -12.163 4.518 -0.741 779 HB THR 95 HB THR 95 -11.067 6.292 -2.063 780 HG1 THR 95 HG1 THR 95 -13.228 6.735 -0.400 781 HG21 THR 95 HG21 THR 95 -13.792 6.800 -3.309 782 HG22 THR 95 HG22 THR 95 -12.390 6.140 -4.152 783 HG23 THR 95 HG23 THR 95 -12.348 7.789 -3.531 784 H GLY 96 H GLY 96 -14.318 3.943 -3.420 785 HA2 GLY 96 HA3 GLY 96 -16.534 3.243 -3.318 786 HA3 GLY 96 HA2 GLY 96 -16.595 3.683 -1.621 787 H LYS 97 H LYS 97 -16.619 5.073 -4.916 788 HA LYS 97 HA LYS 97 -18.165 7.413 -3.954 789 HB2 LYS 97 HB3 LYS 97 -16.658 7.010 -6.576 790 HB3 LYS 97 HB2 LYS 97 -17.600 8.444 -6.175 791 HG2 LYS 97 HG3 LYS 97 -15.089 7.480 -4.768 792 HG3 LYS 97 HG2 LYS 97 -15.220 8.866 -5.855 793 HD2 LYS 97 HD3 LYS 97 -16.792 9.938 -4.212 794 HD3 LYS 97 HD2 LYS 97 -16.534 8.574 -3.120 795 HE2 LYS 97 HE3 LYS 97 -14.094 9.147 -3.069 796 HE3 LYS 97 HE2 LYS 97 -14.442 10.567 -4.059 797 HZ1 LYS 97 HZ1 LYS 97 -15.482 10.011 -1.338 798 HZ2 LYS 97 HZ2 LYS 97 -15.933 11.338 -2.284 799 HZ3 LYS 97 HZ3 LYS 97 -14.331 11.177 -1.759 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -16.699 -0.185 20.354 2 H2 MET 1 HT2 MET 1 -17.064 1.230 19.506 3 H3 MET 1 HT3 MET 1 -17.023 1.247 21.195 4 HA MET 1 HA MET 1 -15.071 2.286 20.255 5 HB2 MET 1 HB2 MET 1 -13.381 1.043 21.569 6 HB3 MET 1 HB1 MET 1 -14.893 1.168 22.454 7 HG2 MET 1 HG2 MET 1 -15.434 -1.162 21.879 8 HG3 MET 1 HG1 MET 1 -13.931 -1.285 20.960 9 HE1 MET 1 HE1 MET 1 -13.252 -3.466 22.343 10 HE2 MET 1 HE2 MET 1 -14.710 -3.378 23.332 11 HE3 MET 1 HE3 MET 1 -13.130 -3.521 24.101 12 H SER 2 H SER 2 -13.074 2.084 19.027 13 HA SER 2 HA SER 2 -13.170 0.266 16.751 14 HB2 SER 2 HB3 SER 2 -11.138 1.454 15.983 15 HB3 SER 2 HB2 SER 2 -12.376 2.611 16.470 16 HG SER 2 HG SER 2 -10.351 3.188 17.302 17 H ASP 3 H ASP 3 -11.081 -0.926 16.137 18 HA ASP 3 HA ASP 3 -10.324 -2.791 18.154 19 HB2 ASP 3 HB3 ASP 3 -9.158 -2.276 15.387 20 HB3 ASP 3 HB2 ASP 3 -8.731 -3.653 16.404 21 H TYR 4 H TYR 4 -8.070 -0.714 16.274 22 HA TYR 4 HA TYR 4 -6.667 0.157 18.713 23 HB2 TYR 4 HB2 TYR 4 -5.229 -1.214 16.382 24 HB3 TYR 4 HB1 TYR 4 -4.429 -0.420 17.731 25 HD1 TYR 4 HD1 TYR 4 -4.626 -1.442 20.060 26 HD2 TYR 4 HD2 TYR 4 -5.974 -3.502 16.564 27 HE1 TYR 4 HE1 TYR 4 -4.616 -3.562 21.304 28 HE2 TYR 4 HE2 TYR 4 -5.963 -5.620 17.811 29 HH TYR 4 HH TYR 4 -5.699 -5.770 21.196 30 H GLU 5 H GLU 5 -5.846 2.235 18.503 31 HA GLU 5 HA GLU 5 -6.332 3.718 16.041 32 HB2 GLU 5 HB3 GLU 5 -6.525 4.564 18.563 33 HB3 GLU 5 HB2 GLU 5 -4.809 4.893 18.392 34 HG2 GLU 5 HG3 GLU 5 -7.041 6.063 16.696 35 HG3 GLU 5 HG2 GLU 5 -6.177 6.898 17.979 36 H ASN 6 H ASN 6 -4.965 3.100 14.441 37 HA ASN 6 HA ASN 6 -2.049 3.187 14.771 38 HB2 ASN 6 HB3 ASN 6 -1.830 0.849 13.815 39 HB3 ASN 6 HB2 ASN 6 -2.548 0.893 15.420 40 HD21 ASN 6 HD21 ASN 6 -3.425 -1.187 15.025 41 HD22 ASN 6 HD22 ASN 6 -4.815 -1.413 14.028 42 H ASP 7 H ASP 7 -1.305 1.995 12.360 43 HA ASP 7 HA ASP 7 -2.548 3.716 10.310 44 HB2 ASP 7 HB3 ASP 7 -0.108 3.914 10.565 45 HB3 ASP 7 HB2 ASP 7 0.078 2.192 10.248 46 H ASP 8 H ASP 8 -2.592 0.443 11.324 47 HA ASP 8 HA ASP 8 -2.867 -1.020 8.942 48 HB2 ASP 8 HB3 ASP 8 -4.195 -1.520 11.641 49 HB3 ASP 8 HB2 ASP 8 -4.047 -2.708 10.345 50 H GLU 9 H GLU 9 -5.125 1.136 10.484 51 HA GLU 9 HA GLU 9 -7.567 0.412 9.340 52 HB2 GLU 9 HB3 GLU 9 -8.118 2.952 9.594 53 HB3 GLU 9 HB2 GLU 9 -7.734 2.014 11.027 54 HG2 GLU 9 HG3 GLU 9 -6.641 4.112 11.267 55 HG3 GLU 9 HG2 GLU 9 -5.393 2.923 10.928 56 H CYS 10 H CYS 10 -4.970 2.333 7.895 57 HA CYS 10 HA CYS 10 -6.169 3.138 5.478 58 HB2 CYS 10 HB3 CYS 10 -3.290 2.481 6.205 59 HB3 CYS 10 HB2 CYS 10 -3.740 3.092 4.614 60 H TRP 11 H TRP 11 -4.294 0.256 6.267 61 HA TRP 11 HA TRP 11 -4.425 -0.848 3.587 62 HB2 TRP 11 HB2 TRP 11 -3.190 -2.106 6.081 63 HB3 TRP 11 HB1 TRP 11 -2.804 -2.466 4.391 64 HD1 TRP 11 HD1 TRP 11 -1.799 -0.155 7.200 65 HE1 TRP 11 HE1 TRP 11 -0.157 1.623 6.348 66 HE3 TRP 11 HE3 TRP 11 -2.147 -1.002 2.159 67 HZ2 TRP 11 HZ2 TRP 11 0.835 2.582 3.912 68 HZ3 TRP 11 HZ3 TRP 11 -0.814 0.407 0.639 69 HH2 TRP 11 HH2 TRP 11 0.643 2.161 1.501 70 H SER 12 H SER 12 -6.318 -1.092 6.434 71 HA SER 12 HA SER 12 -7.647 -3.585 5.957 72 HB2 SER 12 HB3 SER 12 -7.788 -2.467 8.148 73 HB3 SER 12 HB2 SER 12 -8.610 -1.086 7.426 74 HG SER 12 HG SER 12 -10.390 -2.141 7.742 75 H VAL 13 H VAL 13 -8.333 -0.207 5.024 76 HA VAL 13 HA VAL 13 -10.707 -0.584 3.531 77 HB VAL 13 HB VAL 13 -8.490 1.473 3.062 78 HG11 VAL 13 HG11 VAL 13 -11.389 1.532 2.112 79 HG12 VAL 13 HG12 VAL 13 -9.962 1.347 1.089 80 HG13 VAL 13 HG13 VAL 13 -10.236 2.861 1.950 81 HG21 VAL 13 HG21 VAL 13 -9.365 1.596 5.361 82 HG22 VAL 13 HG22 VAL 13 -11.015 1.717 4.746 83 HG23 VAL 13 HG23 VAL 13 -9.859 3.014 4.433 84 H LEU 14 H LEU 14 -7.290 -0.695 2.572 85 HA LEU 14 HA LEU 14 -7.765 -1.360 -0.174 86 HB2 LEU 14 HB3 LEU 14 -5.230 -1.630 1.484 87 HB3 LEU 14 HB2 LEU 14 -5.317 -1.780 -0.267 88 HG LEU 14 HG LEU 14 -5.791 0.731 1.384 89 HD11 LEU 14 HD11 LEU 14 -3.681 0.105 -0.696 90 HD12 LEU 14 HD12 LEU 14 -3.451 0.193 1.051 91 HD13 LEU 14 HD13 LEU 14 -3.890 1.642 0.156 92 HD21 LEU 14 HD21 LEU 14 -6.185 1.946 -0.731 93 HD22 LEU 14 HD22 LEU 14 -7.435 0.747 -0.417 94 HD23 LEU 14 HD23 LEU 14 -6.181 0.412 -1.614 95 H GLU 15 H GLU 15 -7.331 -3.304 2.746 96 HA GLU 15 HA GLU 15 -6.713 -5.819 1.672 97 HB2 GLU 15 HB3 GLU 15 -6.626 -5.448 4.073 98 HB3 GLU 15 HB2 GLU 15 -8.345 -5.081 4.135 99 HG2 GLU 15 HG3 GLU 15 -7.872 -7.294 5.065 100 HG3 GLU 15 HG2 GLU 15 -8.894 -7.415 3.636 101 H GLY 16 H GLY 16 -9.930 -4.365 2.238 102 HA2 GLY 16 HA3 GLY 16 -11.569 -6.459 1.307 103 HA3 GLY 16 HA2 GLY 16 -12.000 -4.757 1.334 104 H PHE 17 H PHE 17 -9.455 -4.461 -0.550 105 HA PHE 17 HA PHE 17 -10.709 -5.373 -3.092 106 HB2 PHE 17 HB2 PHE 17 -9.337 -2.680 -2.561 107 HB3 PHE 17 HB1 PHE 17 -9.921 -3.227 -4.129 108 HD1 PHE 17 HD1 PHE 17 -12.334 -3.252 -4.642 109 HD2 PHE 17 HD2 PHE 17 -10.931 -1.922 -0.827 110 HE1 PHE 17 HE1 PHE 17 -14.541 -2.282 -4.165 111 HE2 PHE 17 HE2 PHE 17 -13.142 -0.953 -0.360 112 HZ PHE 17 HZ PHE 17 -14.951 -1.134 -2.022 113 H ARG 18 H ARG 18 -8.236 -6.214 -1.226 114 HA ARG 18 HA ARG 18 -5.842 -5.367 -2.476 115 HB2 ARG 18 HB3 ARG 18 -5.855 -6.157 -0.174 116 HB3 ARG 18 HB2 ARG 18 -6.334 -7.773 -0.679 117 HG2 ARG 18 HG3 ARG 18 -4.180 -8.182 -1.698 118 HG3 ARG 18 HG2 ARG 18 -3.703 -6.493 -1.504 119 HD2 ARG 18 HD3 ARG 18 -2.632 -8.029 0.154 120 HD3 ARG 18 HD2 ARG 18 -3.575 -6.741 0.899 121 HE ARG 18 HE ARG 18 -5.148 -8.295 1.620 122 HH11 ARG 18 HH11 ARG 18 -2.747 -9.979 -0.250 123 HH12 ARG 18 HH12 ARG 18 -3.173 -11.509 0.426 124 HH21 ARG 18 HH21 ARG 18 -5.657 -10.231 2.437 125 HH22 ARG 18 HH22 ARG 18 -4.804 -11.648 1.932 126 H VAL 19 H VAL 19 -7.691 -8.374 -2.975 127 HA VAL 19 HA VAL 19 -5.994 -9.686 -4.787 128 HB VAL 19 HB VAL 19 -7.934 -10.776 -3.726 129 HG11 VAL 19 HG11 VAL 19 -9.583 -8.963 -3.808 130 HG12 VAL 19 HG12 VAL 19 -10.252 -10.424 -4.536 131 HG13 VAL 19 HG13 VAL 19 -9.690 -9.105 -5.567 132 HG21 VAL 19 HG21 VAL 19 -8.099 -10.900 -6.763 133 HG22 VAL 19 HG22 VAL 19 -8.739 -12.111 -5.650 134 HG23 VAL 19 HG23 VAL 19 -7.000 -11.833 -5.742 135 H THR 20 H THR 20 -8.373 -7.124 -5.360 136 HA THR 20 HA THR 20 -8.196 -7.101 -8.232 137 HB THR 20 HB THR 20 -9.145 -4.847 -6.389 138 HG1 THR 20 HG1 THR 20 -10.903 -5.970 -6.081 139 HG21 THR 20 HG21 THR 20 -8.827 -4.122 -8.742 140 HG22 THR 20 HG22 THR 20 -10.538 -4.157 -8.311 141 HG23 THR 20 HG23 THR 20 -9.852 -5.453 -9.291 142 H LEU 21 H LEU 21 -6.770 -5.173 -5.594 143 HA LEU 21 HA LEU 21 -5.501 -3.160 -7.074 144 HB2 LEU 21 HB3 LEU 21 -4.789 -4.329 -4.359 145 HB3 LEU 21 HB2 LEU 21 -4.077 -2.856 -5.006 146 HG LEU 21 HG LEU 21 -7.042 -3.231 -4.418 147 HD11 LEU 21 HD11 LEU 21 -4.956 -1.710 -2.834 148 HD12 LEU 21 HD12 LEU 21 -5.759 -3.209 -2.352 149 HD13 LEU 21 HD13 LEU 21 -6.696 -1.727 -2.521 150 HD21 LEU 21 HD21 LEU 21 -5.509 -0.743 -5.249 151 HD22 LEU 21 HD22 LEU 21 -7.211 -0.800 -4.786 152 HD23 LEU 21 HD23 LEU 21 -6.670 -1.638 -6.237 153 H THR 22 H THR 22 -4.031 -6.112 -5.668 154 HA THR 22 HA THR 22 -1.432 -5.705 -6.684 155 HB THR 22 HB THR 22 -0.983 -8.065 -6.082 156 HG1 THR 22 HG1 THR 22 -3.119 -9.024 -5.048 157 HG21 THR 22 HG21 THR 22 -2.762 -6.686 -4.031 158 HG22 THR 22 HG22 THR 22 -1.027 -6.425 -4.239 159 HG23 THR 22 HG23 THR 22 -1.626 -7.994 -3.697 160 H SER 23 H SER 23 -4.250 -7.207 -8.156 161 HA SER 23 HA SER 23 -2.777 -8.440 -10.350 162 HB2 SER 23 HB3 SER 23 -5.763 -8.277 -9.793 163 HB3 SER 23 HB2 SER 23 -5.037 -9.196 -11.115 164 HG SER 23 HG SER 23 -4.981 -9.683 -8.351 165 H VAL 24 H VAL 24 -4.667 -5.459 -9.919 166 HA VAL 24 HA VAL 24 -4.797 -5.014 -12.840 167 HB VAL 24 HB VAL 24 -6.155 -3.441 -10.602 168 HG11 VAL 24 HG11 VAL 24 -6.522 -3.200 -13.624 169 HG12 VAL 24 HG12 VAL 24 -5.776 -1.991 -12.575 170 HG13 VAL 24 HG13 VAL 24 -7.491 -2.364 -12.405 171 HG21 VAL 24 HG21 VAL 24 -7.324 -5.464 -12.558 172 HG22 VAL 24 HG22 VAL 24 -8.238 -4.537 -11.365 173 HG23 VAL 24 HG23 VAL 24 -7.054 -5.733 -10.832 174 H ILE 25 H ILE 25 -3.389 -3.499 -9.927 175 HA ILE 25 HA ILE 25 -2.614 -1.052 -11.206 176 HB ILE 25 HB ILE 25 -1.573 -2.279 -8.613 177 HG12 ILE 25 HG12 ILE 25 -3.728 -0.168 -9.050 178 HG13 ILE 25 HG11 ILE 25 -4.030 -1.852 -8.633 179 HG21 ILE 25 HG21 ILE 25 -1.293 0.602 -9.572 180 HG22 ILE 25 HG22 ILE 25 0.020 -0.570 -9.434 181 HG23 ILE 25 HG23 ILE 25 -0.811 -0.005 -7.984 182 HD11 ILE 25 HD11 ILE 25 -2.586 0.160 -6.916 183 HD12 ILE 25 HD12 ILE 25 -2.896 -1.528 -6.496 184 HD13 ILE 25 HD13 ILE 25 -4.240 -0.408 -6.711 185 H ASP 26 H ASP 26 -0.740 -0.420 -12.106 186 HA ASP 26 HA ASP 26 1.464 -2.305 -12.569 187 HB2 ASP 26 HB3 ASP 26 0.628 0.333 -13.813 188 HB3 ASP 26 HB2 ASP 26 2.254 -0.296 -14.056 189 HA PRO 27 HA PRO 27 3.301 0.060 -9.025 190 HB2 PRO 27 HB3 PRO 27 5.011 -1.878 -8.172 191 HB3 PRO 27 HB2 PRO 27 3.279 -1.939 -7.814 192 HG2 PRO 27 HG3 PRO 27 4.812 -3.368 -9.988 193 HG3 PRO 27 HG2 PRO 27 3.582 -4.017 -8.885 194 HD2 PRO 27 HD3 PRO 27 3.011 -3.278 -11.451 195 HD3 PRO 27 HD2 PRO 27 1.823 -3.160 -10.131 196 H SER 28 H SER 28 5.094 -1.819 -11.468 197 HA SER 28 HA SER 28 7.597 -0.459 -11.248 198 HB2 SER 28 HB3 SER 28 6.512 -2.157 -13.538 199 HB3 SER 28 HB2 SER 28 8.205 -1.740 -13.262 200 HG SER 28 HG SER 28 8.334 -3.307 -11.881 201 H ARG 29 H ARG 29 4.670 0.470 -12.633 202 HA ARG 29 HA ARG 29 5.685 2.337 -14.629 203 HB2 ARG 29 HB3 ARG 29 3.531 1.156 -14.909 204 HB3 ARG 29 HB2 ARG 29 2.919 1.872 -13.426 205 HG2 ARG 29 HG3 ARG 29 2.909 4.089 -14.459 206 HG3 ARG 29 HG2 ARG 29 3.636 3.436 -15.934 207 HD2 ARG 29 HD3 ARG 29 0.883 2.754 -14.815 208 HD3 ARG 29 HD2 ARG 29 1.230 3.713 -16.259 209 HE ARG 29 HE ARG 29 2.293 1.011 -16.309 210 HH11 ARG 29 HH11 ARG 29 -0.403 2.988 -17.226 211 HH12 ARG 29 HH12 ARG 29 -0.994 1.814 -18.344 212 HH21 ARG 29 HH21 ARG 29 1.491 -0.458 -17.706 213 HH22 ARG 29 HH22 ARG 29 0.061 -0.104 -18.613 214 H ILE 30 H ILE 30 4.337 2.395 -11.336 215 HA ILE 30 HA ILE 30 4.300 5.331 -11.243 216 HB ILE 30 HB ILE 30 2.960 5.125 -9.226 217 HG12 ILE 30 HG12 ILE 30 3.345 2.092 -9.382 218 HG13 ILE 30 HG11 ILE 30 4.165 3.136 -8.229 219 HG21 ILE 30 HG21 ILE 30 2.029 3.143 -11.346 220 HG22 ILE 30 HG22 ILE 30 1.773 4.890 -11.364 221 HG23 ILE 30 HG23 ILE 30 0.997 3.901 -10.129 222 HD11 ILE 30 HD11 ILE 30 2.333 2.027 -7.162 223 HD12 ILE 30 HD12 ILE 30 1.205 2.604 -8.388 224 HD13 ILE 30 HD13 ILE 30 1.966 3.753 -7.276 225 H THR 31 H THR 31 6.798 3.314 -10.796 226 HA THR 31 HA THR 31 7.735 3.738 -8.190 227 HB THR 31 HB THR 31 10.026 3.182 -8.964 228 HG1 THR 31 HG1 THR 31 10.486 3.749 -10.932 229 HG21 THR 31 HG21 THR 31 9.574 0.911 -9.792 230 HG22 THR 31 HG22 THR 31 7.912 1.370 -10.166 231 HG23 THR 31 HG23 THR 31 8.462 1.344 -8.489 232 HA PRO 32 HA PRO 32 10.081 7.827 -9.600 233 HB2 PRO 32 HB3 PRO 32 9.031 9.268 -11.691 234 HB3 PRO 32 HB2 PRO 32 10.297 8.051 -11.912 235 HG2 PRO 32 HG3 PRO 32 7.317 7.761 -12.299 236 HG3 PRO 32 HG2 PRO 32 8.635 7.242 -13.372 237 HD2 PRO 32 HD3 PRO 32 7.408 5.495 -11.712 238 HD3 PRO 32 HD2 PRO 32 9.146 5.371 -12.057 239 H TYR 33 H TYR 33 6.585 7.496 -9.997 240 HA TYR 33 HA TYR 33 5.747 9.996 -8.938 241 HB2 TYR 33 HB2 TYR 33 4.293 8.422 -10.281 242 HB3 TYR 33 HB1 TYR 33 4.245 7.329 -8.902 243 HD1 TYR 33 HD1 TYR 33 2.428 7.542 -7.364 244 HD2 TYR 33 HD2 TYR 33 3.511 10.894 -9.810 245 HE1 TYR 33 HE1 TYR 33 0.521 8.831 -6.476 246 HE2 TYR 33 HE2 TYR 33 1.608 12.159 -8.930 247 HH TYR 33 HH TYR 33 -0.061 11.305 -6.203 248 H LEU 34 H LEU 34 6.272 6.805 -7.464 249 HA LEU 34 HA LEU 34 5.587 7.560 -4.781 250 HB2 LEU 34 HB3 LEU 34 7.183 5.178 -5.788 251 HB3 LEU 34 HB2 LEU 34 6.524 5.351 -4.167 252 HG LEU 34 HG LEU 34 4.924 5.041 -6.740 253 HD11 LEU 34 HD11 LEU 34 5.977 2.973 -6.017 254 HD12 LEU 34 HD12 LEU 34 4.231 2.892 -5.808 255 HD13 LEU 34 HD13 LEU 34 5.274 3.145 -4.405 256 HD21 LEU 34 HD21 LEU 34 3.862 5.355 -3.908 257 HD22 LEU 34 HD22 LEU 34 2.899 4.984 -5.343 258 HD23 LEU 34 HD23 LEU 34 3.718 6.537 -5.212 259 H ARG 35 H ARG 35 8.645 7.435 -6.605 260 HA ARG 35 HA ARG 35 10.486 8.054 -4.556 261 HB2 ARG 35 HB3 ARG 35 10.459 8.801 -7.503 262 HB3 ARG 35 HB2 ARG 35 11.801 9.221 -6.447 263 HG2 ARG 35 HG3 ARG 35 10.862 6.394 -7.018 264 HG3 ARG 35 HG2 ARG 35 12.218 7.202 -7.805 265 HD2 ARG 35 HD3 ARG 35 13.089 7.523 -5.322 266 HD3 ARG 35 HD2 ARG 35 11.996 6.177 -4.977 267 HE ARG 35 HE ARG 35 13.269 5.057 -6.907 268 HH11 ARG 35 HH11 ARG 35 14.731 7.039 -4.486 269 HH12 ARG 35 HH12 ARG 35 16.319 6.470 -4.845 270 HH21 ARG 35 HH21 ARG 35 15.300 4.367 -7.349 271 HH22 ARG 35 HH22 ARG 35 16.632 4.984 -6.444 272 H GLN 36 H GLN 36 8.669 10.258 -6.717 273 HA GLN 36 HA GLN 36 9.556 12.705 -5.663 274 HB2 GLN 36 HB3 GLN 36 8.375 12.493 -7.825 275 HB3 GLN 36 HB2 GLN 36 6.882 12.071 -6.986 276 HG2 GLN 36 HG3 GLN 36 6.878 14.326 -5.923 277 HG3 GLN 36 HG2 GLN 36 8.343 14.730 -6.817 278 HE21 GLN 36 HE21 GLN 36 4.909 14.133 -7.073 279 HE22 GLN 36 HE22 GLN 36 4.718 14.808 -8.649 280 H CYS 37 H CYS 37 6.763 10.690 -4.721 281 HA CYS 37 HA CYS 37 5.866 12.475 -2.622 282 HB2 CYS 37 HB3 CYS 37 4.291 10.980 -3.851 283 HB3 CYS 37 HB2 CYS 37 5.073 9.578 -3.124 284 HG CYS 37 HG CYS 37 4.354 10.307 -0.495 285 H LYS 38 H LYS 38 8.525 10.472 -2.773 286 HA LYS 38 HA LYS 38 10.031 9.625 -1.332 287 HB2 LYS 38 HB3 LYS 38 8.705 11.596 0.565 288 HB3 LYS 38 HB2 LYS 38 10.185 10.730 0.962 289 HG2 LYS 38 HG3 LYS 38 9.813 12.730 -1.293 290 HG3 LYS 38 HG2 LYS 38 10.695 12.991 0.212 291 HD2 LYS 38 HD3 LYS 38 11.451 11.059 -2.017 292 HD3 LYS 38 HD2 LYS 38 12.253 12.582 -1.640 293 HE2 LYS 38 HE3 LYS 38 12.166 10.117 0.141 294 HE3 LYS 38 HE2 LYS 38 13.557 10.684 -0.784 295 HZ1 LYS 38 HZ1 LYS 38 13.709 11.314 1.538 296 HZ2 LYS 38 HZ2 LYS 38 12.248 12.154 1.439 297 HZ3 LYS 38 HZ3 LYS 38 13.588 12.686 0.561 298 H VAL 39 H VAL 39 7.567 8.178 -1.602 299 HA VAL 39 HA VAL 39 7.402 6.702 0.958 300 HB VAL 39 HB VAL 39 5.293 5.714 0.048 301 HG11 VAL 39 HG11 VAL 39 5.173 7.699 1.500 302 HG12 VAL 39 HG12 VAL 39 3.893 7.749 0.288 303 HG13 VAL 39 HG13 VAL 39 5.328 8.761 0.096 304 HG21 VAL 39 HG21 VAL 39 5.672 7.669 -2.258 305 HG22 VAL 39 HG22 VAL 39 4.235 6.680 -1.972 306 HG23 VAL 39 HG23 VAL 39 5.770 5.909 -2.368 307 H LEU 40 H LEU 40 9.296 6.547 -1.618 308 HA LEU 40 HA LEU 40 9.557 3.609 -1.568 309 HB2 LEU 40 HB3 LEU 40 8.237 4.388 -3.611 310 HB3 LEU 40 HB2 LEU 40 9.674 5.246 -4.131 311 HG LEU 40 HG LEU 40 10.887 2.994 -4.168 312 HD11 LEU 40 HD11 LEU 40 9.528 0.953 -4.268 313 HD12 LEU 40 HD12 LEU 40 8.079 1.882 -3.873 314 HD13 LEU 40 HD13 LEU 40 9.389 1.738 -2.697 315 HD21 LEU 40 HD21 LEU 40 10.122 4.058 -6.238 316 HD22 LEU 40 HD22 LEU 40 8.533 3.307 -6.058 317 HD23 LEU 40 HD23 LEU 40 9.961 2.304 -6.331 318 H ASN 41 H ASN 41 11.665 2.915 -1.554 319 HA ASN 41 HA ASN 41 13.846 4.932 -1.570 320 HB2 ASN 41 HB3 ASN 41 13.831 2.135 -0.337 321 HB3 ASN 41 HB2 ASN 41 15.089 3.352 -0.143 322 HD21 ASN 41 HD21 ASN 41 11.807 2.474 0.684 323 HD22 ASN 41 HD22 ASN 41 11.648 3.549 2.022 324 HA PRO 42 HA PRO 42 15.974 3.290 -5.185 325 HB2 PRO 42 HB3 PRO 42 18.524 2.552 -4.186 326 HB3 PRO 42 HB2 PRO 42 18.054 4.168 -4.727 327 HG2 PRO 42 HG3 PRO 42 18.081 3.029 -1.940 328 HG3 PRO 42 HG2 PRO 42 18.616 4.629 -2.499 329 HD2 PRO 42 HD3 PRO 42 16.271 4.395 -1.276 330 HD3 PRO 42 HD2 PRO 42 16.392 5.429 -2.721 331 H ASP 43 H ASP 43 16.619 1.193 -2.355 332 HA ASP 43 HA ASP 43 17.142 -1.195 -3.804 333 HB2 ASP 43 HB3 ASP 43 16.269 -0.802 -0.915 334 HB3 ASP 43 HB2 ASP 43 16.891 -2.313 -1.581 335 H ASP 44 H ASP 44 14.171 0.169 -2.493 336 HA ASP 44 HA ASP 44 12.496 -2.113 -2.964 337 HB2 ASP 44 HB3 ASP 44 11.777 0.814 -2.566 338 HB3 ASP 44 HB2 ASP 44 10.633 -0.529 -2.507 339 H GLU 45 H GLU 45 13.158 0.900 -4.745 340 HA GLU 45 HA GLU 45 11.381 0.522 -6.892 341 HB2 GLU 45 HB3 GLU 45 12.494 2.681 -6.475 342 HB3 GLU 45 HB2 GLU 45 14.064 1.981 -6.876 343 HG2 GLU 45 HG3 GLU 45 13.289 1.583 -9.189 344 HG3 GLU 45 HG2 GLU 45 11.718 2.267 -8.782 345 H GLU 46 H GLU 46 14.789 -0.459 -6.494 346 HA GLU 46 HA GLU 46 15.189 -1.794 -8.949 347 HB2 GLU 46 HB3 GLU 46 17.040 -1.204 -7.426 348 HB3 GLU 46 HB2 GLU 46 16.420 -2.309 -6.204 349 HG2 GLU 46 HG3 GLU 46 16.865 -4.220 -7.718 350 HG3 GLU 46 HG2 GLU 46 17.500 -3.104 -8.927 351 H GLN 47 H GLN 47 13.875 -2.897 -5.851 352 HA GLN 47 HA GLN 47 13.719 -5.679 -6.376 353 HB2 GLN 47 HB3 GLN 47 13.605 -4.568 -4.105 354 HB3 GLN 47 HB2 GLN 47 11.969 -4.042 -4.482 355 HG2 GLN 47 HG3 GLN 47 11.264 -6.414 -4.644 356 HG3 GLN 47 HG2 GLN 47 12.904 -6.922 -4.248 357 HE21 GLN 47 HE21 GLN 47 13.234 -4.771 -2.210 358 HE22 GLN 47 HE22 GLN 47 12.281 -5.269 -0.867 359 H VAL 48 H VAL 48 11.439 -3.011 -6.914 360 HA VAL 48 HA VAL 48 9.313 -4.667 -7.969 361 HB VAL 48 HB VAL 48 9.691 -1.638 -8.063 362 HG11 VAL 48 HG11 VAL 48 7.259 -1.527 -8.560 363 HG12 VAL 48 HG12 VAL 48 7.205 -3.288 -8.676 364 HG13 VAL 48 HG13 VAL 48 8.149 -2.354 -9.840 365 HG21 VAL 48 HG21 VAL 48 8.057 -1.579 -6.195 366 HG22 VAL 48 HG22 VAL 48 9.498 -2.492 -5.749 367 HG23 VAL 48 HG23 VAL 48 8.013 -3.344 -6.170 368 H LEU 49 H LEU 49 11.935 -2.720 -9.386 369 HA LEU 49 HA LEU 49 11.056 -3.165 -12.152 370 HB2 LEU 49 HB3 LEU 49 13.383 -1.583 -10.991 371 HB3 LEU 49 HB2 LEU 49 13.092 -1.742 -12.717 372 HG LEU 49 HG LEU 49 11.207 -0.396 -10.733 373 HD11 LEU 49 HD11 LEU 49 12.986 0.843 -12.862 374 HD12 LEU 49 HD12 LEU 49 13.227 0.936 -11.115 375 HD13 LEU 49 HD13 LEU 49 11.821 1.701 -11.848 376 HD21 LEU 49 HD21 LEU 49 9.967 -1.434 -12.575 377 HD22 LEU 49 HD22 LEU 49 10.994 -0.619 -13.758 378 HD23 LEU 49 HD23 LEU 49 9.928 0.323 -12.709 379 H SER 50 H SER 50 12.497 -5.210 -10.149 380 HA SER 50 HA SER 50 14.945 -6.023 -11.293 381 HB2 SER 50 HB3 SER 50 14.626 -8.127 -10.026 382 HB3 SER 50 HB2 SER 50 14.168 -6.740 -9.039 383 HG SER 50 HG SER 50 12.555 -8.727 -10.201 384 H ASP 51 H ASP 51 11.634 -6.845 -12.127 385 HA ASP 51 HA ASP 51 12.427 -8.893 -14.060 386 HB2 ASP 51 HB3 ASP 51 9.742 -7.969 -12.976 387 HB3 ASP 51 HB2 ASP 51 9.872 -9.132 -14.297 388 HA PRO 52 HA PRO 52 12.154 -5.783 -17.398 389 HB2 PRO 52 HB3 PRO 52 13.131 -7.288 -19.409 390 HB3 PRO 52 HB2 PRO 52 14.175 -6.752 -18.084 391 HG2 PRO 52 HG3 PRO 52 12.819 -9.436 -18.447 392 HG3 PRO 52 HG2 PRO 52 14.509 -9.097 -18.015 393 HD2 PRO 52 HD3 PRO 52 12.586 -9.700 -16.146 394 HD3 PRO 52 HD2 PRO 52 13.989 -8.668 -15.786 395 H ASN 53 H ASN 53 10.312 -8.601 -16.989 396 HA ASN 53 HA ASN 53 8.568 -8.163 -19.330 397 HB2 ASN 53 HB3 ASN 53 8.500 -10.409 -17.265 398 HB3 ASN 53 HB2 ASN 53 7.561 -10.331 -18.755 399 HD21 ASN 53 HD21 ASN 53 9.434 -12.356 -17.846 400 HD22 ASN 53 HD22 ASN 53 10.642 -12.471 -19.074 401 H LEU 54 H LEU 54 8.780 -7.633 -15.920 402 HA LEU 54 HA LEU 54 7.505 -6.624 -14.351 403 HB2 LEU 54 HB3 LEU 54 6.015 -5.585 -16.790 404 HB3 LEU 54 HB2 LEU 54 5.678 -5.042 -15.159 405 HG LEU 54 HG LEU 54 8.075 -4.191 -15.029 406 HD11 LEU 54 HD11 LEU 54 9.140 -5.481 -16.786 407 HD12 LEU 54 HD12 LEU 54 9.312 -3.757 -17.105 408 HD13 LEU 54 HD13 LEU 54 8.131 -4.707 -18.011 409 HD21 LEU 54 HD21 LEU 54 7.629 -2.134 -16.304 410 HD22 LEU 54 HD22 LEU 54 6.192 -2.663 -15.433 411 HD23 LEU 54 HD23 LEU 54 6.318 -2.940 -17.173 412 H VAL 55 H VAL 55 6.684 -9.354 -15.416 413 HA VAL 55 HA VAL 55 3.805 -9.484 -15.440 414 HB VAL 55 HB VAL 55 4.130 -11.950 -15.731 415 HG11 VAL 55 HG11 VAL 55 5.192 -11.820 -17.958 416 HG12 VAL 55 HG12 VAL 55 5.819 -10.215 -17.574 417 HG13 VAL 55 HG13 VAL 55 4.077 -10.476 -17.697 418 HG21 VAL 55 HG21 VAL 55 7.113 -11.312 -15.540 419 HG22 VAL 55 HG22 VAL 55 6.426 -12.871 -16.006 420 HG23 VAL 55 HG23 VAL 55 6.181 -12.255 -14.371 421 H ILE 56 H ILE 56 6.072 -9.688 -12.845 422 HA ILE 56 HA ILE 56 4.410 -11.418 -11.148 423 HB ILE 56 HB ILE 56 7.045 -10.050 -10.379 424 HG12 ILE 56 HG12 ILE 56 6.600 -12.751 -11.732 425 HG13 ILE 56 HG11 ILE 56 7.505 -11.387 -12.375 426 HG21 ILE 56 HG21 ILE 56 7.247 -11.863 -8.706 427 HG22 ILE 56 HG22 ILE 56 5.704 -12.538 -9.229 428 HG23 ILE 56 HG23 ILE 56 5.758 -10.953 -8.457 429 HD11 ILE 56 HD11 ILE 56 8.283 -13.112 -10.023 430 HD12 ILE 56 HD12 ILE 56 9.192 -11.712 -10.604 431 HD13 ILE 56 HD13 ILE 56 8.992 -13.126 -11.636 432 H ARG 57 H ARG 57 3.443 -8.744 -12.031 433 HA ARG 57 HA ARG 57 3.665 -6.621 -10.311 434 HB2 ARG 57 HB3 ARG 57 1.542 -5.788 -11.195 435 HB3 ARG 57 HB2 ARG 57 2.506 -6.508 -12.482 436 HG2 ARG 57 HG3 ARG 57 1.105 -8.456 -12.579 437 HG3 ARG 57 HG2 ARG 57 0.290 -8.029 -11.071 438 HD2 ARG 57 HD3 ARG 57 -1.143 -7.553 -12.999 439 HD3 ARG 57 HD2 ARG 57 -0.719 -6.067 -12.145 440 HE ARG 57 HE ARG 57 0.779 -6.880 -14.554 441 HH11 ARG 57 HH11 ARG 57 -1.249 -4.567 -12.979 442 HH12 ARG 57 HH12 ARG 57 -1.071 -3.405 -14.238 443 HH21 ARG 57 HH21 ARG 57 0.966 -5.376 -16.159 444 HH22 ARG 57 HH22 ARG 57 0.165 -3.852 -16.019 445 H LYS 58 H LYS 58 1.650 -9.498 -9.719 446 HA LYS 58 HA LYS 58 0.009 -8.381 -7.676 447 HB2 LYS 58 HB3 LYS 58 0.740 -11.286 -8.196 448 HB3 LYS 58 HB2 LYS 58 -0.492 -10.763 -7.048 449 HG2 LYS 58 HG3 LYS 58 -1.769 -9.729 -8.908 450 HG3 LYS 58 HG2 LYS 58 -0.549 -10.295 -10.051 451 HD2 LYS 58 HD3 LYS 58 -2.324 -12.052 -8.307 452 HD3 LYS 58 HD2 LYS 58 -2.531 -11.766 -10.035 453 HE2 LYS 58 HE3 LYS 58 -0.342 -12.860 -10.463 454 HE3 LYS 58 HE2 LYS 58 -0.161 -13.158 -8.734 455 HZ1 LYS 58 HZ1 LYS 58 -2.104 -14.549 -8.798 456 HZ2 LYS 58 HZ2 LYS 58 -0.969 -15.089 -9.927 457 HZ3 LYS 58 HZ3 LYS 58 -2.329 -14.227 -10.440 458 H ARG 59 H ARG 59 2.992 -10.320 -7.482 459 HA ARG 59 HA ARG 59 3.270 -10.036 -4.635 460 HB2 ARG 59 HB3 ARG 59 4.248 -11.938 -5.856 461 HB3 ARG 59 HB2 ARG 59 5.309 -10.852 -6.742 462 HG2 ARG 59 HG3 ARG 59 6.637 -10.390 -4.813 463 HG3 ARG 59 HG2 ARG 59 5.429 -11.068 -3.717 464 HD2 ARG 59 HD3 ARG 59 7.051 -12.657 -5.742 465 HD3 ARG 59 HD2 ARG 59 7.374 -12.579 -4.007 466 HE ARG 59 HE ARG 59 4.752 -13.415 -4.243 467 HH11 ARG 59 HH11 ARG 59 7.802 -14.695 -5.277 468 HH12 ARG 59 HH12 ARG 59 7.265 -16.330 -5.139 469 HH21 ARG 59 HH21 ARG 59 4.108 -15.492 -4.081 470 HH22 ARG 59 HH22 ARG 59 5.202 -16.773 -4.468 471 H LYS 60 H LYS 60 4.347 -8.127 -7.426 472 HA LYS 60 HA LYS 60 6.233 -6.471 -6.086 473 HB2 LYS 60 HB3 LYS 60 4.489 -5.758 -8.470 474 HB3 LYS 60 HB2 LYS 60 5.909 -4.861 -7.941 475 HG2 LYS 60 HG3 LYS 60 5.872 -7.688 -9.021 476 HG3 LYS 60 HG2 LYS 60 6.397 -6.246 -9.889 477 HD2 LYS 60 HD3 LYS 60 8.252 -5.967 -8.244 478 HD3 LYS 60 HD2 LYS 60 7.731 -7.445 -7.426 479 HE2 LYS 60 HE3 LYS 60 8.169 -8.737 -9.489 480 HE3 LYS 60 HE2 LYS 60 8.680 -7.258 -10.310 481 HZ1 LYS 60 HZ1 LYS 60 9.989 -8.422 -7.919 482 HZ2 LYS 60 HZ2 LYS 60 10.497 -7.055 -8.772 483 HZ3 LYS 60 HZ3 LYS 60 10.536 -8.571 -9.509 484 H VAL 61 H VAL 61 2.758 -5.774 -6.841 485 HA VAL 61 HA VAL 61 2.559 -3.391 -5.305 486 HB VAL 61 HB VAL 61 0.282 -5.280 -6.080 487 HG11 VAL 61 HG11 VAL 61 0.149 -2.351 -5.241 488 HG12 VAL 61 HG12 VAL 61 -0.433 -3.729 -4.300 489 HG13 VAL 61 HG13 VAL 61 -1.214 -3.311 -5.827 490 HG21 VAL 61 HG21 VAL 61 1.290 -2.827 -7.566 491 HG22 VAL 61 HG22 VAL 61 -0.127 -3.788 -8.001 492 HG23 VAL 61 HG23 VAL 61 1.484 -4.505 -8.083 493 H GLY 62 H GLY 62 1.898 -6.811 -4.522 494 HA2 GLY 62 HA3 GLY 62 0.779 -6.595 -1.968 495 HA3 GLY 62 HA2 GLY 62 1.751 -7.945 -2.528 496 H VAL 63 H VAL 63 4.225 -7.016 -2.784 497 HA VAL 63 HA VAL 63 5.312 -6.589 -0.182 498 HB VAL 63 HB VAL 63 6.540 -6.305 -2.960 499 HG11 VAL 63 HG11 VAL 63 8.783 -6.229 -1.910 500 HG12 VAL 63 HG12 VAL 63 8.038 -6.126 -0.314 501 HG13 VAL 63 HG13 VAL 63 7.821 -4.816 -1.476 502 HG21 VAL 63 HG21 VAL 63 5.961 -8.614 -2.323 503 HG22 VAL 63 HG22 VAL 63 6.892 -8.459 -0.832 504 HG23 VAL 63 HG23 VAL 63 7.714 -8.418 -2.393 505 H LEU 64 H LEU 64 4.576 -4.394 -2.857 506 HA LEU 64 HA LEU 64 5.810 -2.046 -1.967 507 HB2 LEU 64 HB3 LEU 64 4.943 -2.435 -4.271 508 HB3 LEU 64 HB2 LEU 64 3.305 -2.300 -3.663 509 HG LEU 64 HG LEU 64 3.746 0.085 -3.048 510 HD11 LEU 64 HD11 LEU 64 5.764 1.220 -3.879 511 HD12 LEU 64 HD12 LEU 64 6.430 -0.328 -4.403 512 HD13 LEU 64 HD13 LEU 64 6.155 -0.017 -2.687 513 HD21 LEU 64 HD21 LEU 64 3.706 0.986 -5.333 514 HD22 LEU 64 HD22 LEU 64 2.689 -0.447 -5.204 515 HD23 LEU 64 HD23 LEU 64 4.275 -0.560 -5.972 516 H LEU 65 H LEU 65 2.573 -3.341 -1.193 517 HA LEU 65 HA LEU 65 1.406 -1.180 0.135 518 HB2 LEU 65 HB3 LEU 65 1.218 -4.139 0.832 519 HB3 LEU 65 HB2 LEU 65 0.148 -2.905 1.483 520 HG LEU 65 HG LEU 65 0.349 -3.686 -1.457 521 HD11 LEU 65 HD11 LEU 65 -1.856 -4.293 0.537 522 HD12 LEU 65 HD12 LEU 65 -0.701 -5.451 -0.132 523 HD13 LEU 65 HD13 LEU 65 -1.872 -4.673 -1.190 524 HD21 LEU 65 HD21 LEU 65 -1.615 -2.248 -1.806 525 HD22 LEU 65 HD22 LEU 65 -0.235 -1.324 -1.222 526 HD23 LEU 65 HD23 LEU 65 -1.548 -1.733 -0.115 527 H ASP 66 H ASP 66 3.719 -3.565 1.428 528 HA ASP 66 HA ASP 66 3.709 -2.535 4.122 529 HB2 ASP 66 HB3 ASP 66 4.235 -4.969 3.335 530 HB3 ASP 66 HB2 ASP 66 5.844 -4.365 2.966 531 H ILE 67 H ILE 67 5.788 -2.132 1.276 532 HA ILE 67 HA ILE 67 7.890 -0.588 2.371 533 HB ILE 67 HB ILE 67 6.668 -0.468 -0.427 534 HG12 ILE 67 HG12 ILE 67 9.156 -1.978 0.509 535 HG13 ILE 67 HG11 ILE 67 7.579 -2.720 0.255 536 HG21 ILE 67 HG21 ILE 67 9.351 0.639 0.493 537 HG22 ILE 67 HG22 ILE 67 7.953 1.583 -0.027 538 HG23 ILE 67 HG23 ILE 67 8.799 0.558 -1.185 539 HD11 ILE 67 HD11 ILE 67 9.096 -3.130 -1.605 540 HD12 ILE 67 HD12 ILE 67 9.254 -1.398 -1.881 541 HD13 ILE 67 HD13 ILE 67 7.696 -2.192 -2.122 542 H LEU 68 H LEU 68 4.770 0.402 0.985 543 HA LEU 68 HA LEU 68 5.044 3.211 1.394 544 HB2 LEU 68 HB3 LEU 68 2.524 1.534 1.061 545 HB3 LEU 68 HB2 LEU 68 2.611 3.279 0.906 546 HG LEU 68 HG LEU 68 3.880 1.243 -0.966 547 HD11 LEU 68 HD11 LEU 68 1.557 3.130 -1.436 548 HD12 LEU 68 HD12 LEU 68 1.465 1.378 -1.239 549 HD13 LEU 68 HD13 LEU 68 2.290 2.059 -2.637 550 HD21 LEU 68 HD21 LEU 68 3.962 4.265 -1.159 551 HD22 LEU 68 HD22 LEU 68 4.533 3.134 -2.391 552 HD23 LEU 68 HD23 LEU 68 5.328 3.197 -0.819 553 H GLN 69 H GLN 69 3.601 0.552 3.290 554 HA GLN 69 HA GLN 69 2.368 1.956 5.370 555 HB2 GLN 69 HB3 GLN 69 2.082 -0.460 5.000 556 HB3 GLN 69 HB2 GLN 69 3.752 -0.755 5.473 557 HG2 GLN 69 HG3 GLN 69 3.225 0.052 7.764 558 HG3 GLN 69 HG2 GLN 69 1.543 0.287 7.282 559 HE21 GLN 69 HE21 GLN 69 0.240 -1.552 6.967 560 HE22 GLN 69 HE22 GLN 69 0.696 -3.109 7.553 561 H ARG 70 H ARG 70 5.818 1.253 4.951 562 HA ARG 70 HA ARG 70 6.868 1.888 7.470 563 HB2 ARG 70 HB3 ARG 70 8.097 2.742 4.818 564 HB3 ARG 70 HB2 ARG 70 8.940 2.556 6.353 565 HG2 ARG 70 HG3 ARG 70 8.526 0.115 6.264 566 HG3 ARG 70 HG2 ARG 70 7.710 0.323 4.708 567 HD2 ARG 70 HD3 ARG 70 9.871 1.424 3.886 568 HD3 ARG 70 HD2 ARG 70 10.634 0.814 5.357 569 HE ARG 70 HE ARG 70 9.544 -1.413 4.280 570 HH11 ARG 70 HH11 ARG 70 11.694 0.997 3.056 571 HH12 ARG 70 HH12 ARG 70 12.297 -0.017 1.795 572 HH21 ARG 70 HH21 ARG 70 10.375 -2.716 2.677 573 HH22 ARG 70 HH22 ARG 70 11.572 -2.097 1.595 574 H THR 71 H THR 71 5.688 4.051 4.923 575 HA THR 71 HA THR 71 6.575 6.483 6.341 576 HB THR 71 HB THR 71 5.834 7.731 4.395 577 HG1 THR 71 HG1 THR 71 4.922 5.386 3.113 578 HG21 THR 71 HG21 THR 71 8.017 6.575 4.165 579 HG22 THR 71 HG22 THR 71 7.197 6.736 2.614 580 HG23 THR 71 HG23 THR 71 7.197 5.183 3.450 581 H GLY 72 H GLY 72 4.039 4.420 6.643 582 HA2 GLY 72 HA3 GLY 72 2.188 4.559 7.972 583 HA3 GLY 72 HA2 GLY 72 2.501 6.272 8.203 584 H HIS 73 H HIS 73 0.506 7.113 7.838 585 HA HIS 73 HA HIS 73 -1.399 6.282 5.928 586 HB2 HIS 73 HB2 HIS 73 -1.204 9.142 6.955 587 HB3 HIS 73 HB1 HIS 73 -2.648 8.265 6.481 588 HD2 HIS 73 HD2 HIS 73 -1.238 9.500 9.586 589 HE1 HIS 73 HE1 HIS 73 -2.887 5.773 10.697 590 HE2 HIS 73 HE2 HIS 73 -1.768 7.878 11.529 591 H LYS 74 H LYS 74 1.389 8.315 5.623 592 HA LYS 74 HA LYS 74 0.926 9.890 3.378 593 HB2 LYS 74 HB3 LYS 74 2.911 9.952 4.927 594 HB3 LYS 74 HB2 LYS 74 3.528 8.505 4.143 595 HG2 LYS 74 HG3 LYS 74 3.512 9.901 1.962 596 HG3 LYS 74 HG2 LYS 74 3.271 11.305 3.005 597 HD2 LYS 74 HD3 LYS 74 5.646 9.388 3.010 598 HD3 LYS 74 HD2 LYS 74 5.656 11.087 2.532 599 HE2 LYS 74 HE3 LYS 74 5.290 11.794 4.828 600 HE3 LYS 74 HE2 LYS 74 5.038 10.129 5.352 601 HZ1 LYS 74 HZ1 LYS 74 7.327 9.643 4.785 602 HZ2 LYS 74 HZ2 LYS 74 7.243 10.897 5.909 603 HZ3 LYS 74 HZ3 LYS 74 7.572 11.237 4.290 604 H GLY 75 H GLY 75 2.357 6.600 3.483 605 HA2 GLY 75 HA3 GLY 75 2.681 6.156 0.724 606 HA3 GLY 75 HA2 GLY 75 2.511 4.908 1.947 607 H TYR 76 H TYR 76 -0.082 5.480 2.831 608 HA TYR 76 HA TYR 76 -1.813 4.206 1.009 609 HB2 TYR 76 HB2 TYR 76 -2.207 4.198 3.413 610 HB3 TYR 76 HB1 TYR 76 -2.369 5.946 3.440 611 HD1 TYR 76 HD1 TYR 76 -4.568 6.744 3.683 612 HD2 TYR 76 HD2 TYR 76 -3.979 3.020 1.661 613 HE1 TYR 76 HE1 TYR 76 -7.002 6.461 3.497 614 HE2 TYR 76 HE2 TYR 76 -6.412 2.746 1.477 615 HH TYR 76 HH TYR 76 -8.610 5.237 2.086 616 H VAL 77 H VAL 77 -1.499 7.684 1.838 617 HA VAL 77 HA VAL 77 -3.506 8.700 0.129 618 HB VAL 77 HB VAL 77 -0.965 10.110 1.083 619 HG11 VAL 77 HG11 VAL 77 -1.969 11.315 -0.815 620 HG12 VAL 77 HG12 VAL 77 -2.196 12.227 0.677 621 HG13 VAL 77 HG13 VAL 77 -3.542 11.315 -0.010 622 HG21 VAL 77 HG21 VAL 77 -3.746 10.137 2.329 623 HG22 VAL 77 HG22 VAL 77 -2.340 11.047 2.894 624 HG23 VAL 77 HG23 VAL 77 -2.337 9.289 2.971 625 H ALA 78 H ALA 78 0.005 8.311 -0.376 626 HA ALA 78 HA ALA 78 0.221 9.265 -3.014 627 HB1 ALA 78 HB1 ALA 78 2.157 8.873 -1.542 628 HB2 ALA 78 HB2 ALA 78 2.359 8.038 -3.084 629 HB3 ALA 78 HB3 ALA 78 1.893 7.131 -1.640 630 H PHE 79 H PHE 79 -0.492 6.018 -1.777 631 HA PHE 79 HA PHE 79 -0.604 4.533 -4.171 632 HB2 PHE 79 HB2 PHE 79 -0.570 3.600 -1.844 633 HB3 PHE 79 HB1 PHE 79 -2.212 4.165 -1.602 634 HD1 PHE 79 HD1 PHE 79 -4.117 2.999 -2.708 635 HD2 PHE 79 HD2 PHE 79 -0.099 1.595 -3.150 636 HE1 PHE 79 HE1 PHE 79 -4.952 0.827 -3.500 637 HE2 PHE 79 HE2 PHE 79 -0.948 -0.568 -3.936 638 HZ PHE 79 HZ PHE 79 -3.369 -0.951 -4.112 639 H LEU 80 H LEU 80 -3.175 6.302 -2.407 640 HA LEU 80 HA LEU 80 -5.297 5.685 -4.226 641 HB2 LEU 80 HB3 LEU 80 -5.084 7.937 -2.192 642 HB3 LEU 80 HB2 LEU 80 -6.556 7.488 -3.042 643 HG LEU 80 HG LEU 80 -5.072 5.857 -0.952 644 HD11 LEU 80 HD11 LEU 80 -7.860 7.046 -0.962 645 HD12 LEU 80 HD12 LEU 80 -6.468 7.623 -0.041 646 HD13 LEU 80 HD13 LEU 80 -7.163 6.047 0.318 647 HD21 LEU 80 HD21 LEU 80 -7.436 4.964 -2.639 648 HD22 LEU 80 HD22 LEU 80 -6.804 4.109 -1.229 649 HD23 LEU 80 HD23 LEU 80 -5.804 4.289 -2.667 650 H GLU 81 H GLU 81 -3.101 8.466 -3.955 651 HA GLU 81 HA GLU 81 -4.289 10.081 -5.988 652 HB2 GLU 81 HB3 GLU 81 -1.475 10.102 -4.818 653 HB3 GLU 81 HB2 GLU 81 -2.082 11.317 -5.939 654 HG2 GLU 81 HG3 GLU 81 -3.827 11.940 -4.283 655 HG3 GLU 81 HG2 GLU 81 -3.149 10.765 -3.155 656 H SER 82 H SER 82 -1.782 7.568 -6.001 657 HA SER 82 HA SER 82 -0.994 7.660 -8.709 658 HB2 SER 82 HB3 SER 82 0.222 6.264 -7.119 659 HB3 SER 82 HB2 SER 82 -1.209 5.277 -6.821 660 HG SER 82 HG SER 82 -0.268 4.102 -8.314 661 H LEU 83 H LEU 83 -3.598 5.736 -7.150 662 HA LEU 83 HA LEU 83 -4.750 4.685 -9.500 663 HB2 LEU 83 HB3 LEU 83 -6.053 5.327 -6.825 664 HB3 LEU 83 HB2 LEU 83 -6.832 4.408 -8.104 665 HG LEU 83 HG LEU 83 -4.363 3.570 -6.535 666 HD11 LEU 83 HD11 LEU 83 -7.173 2.414 -6.562 667 HD12 LEU 83 HD12 LEU 83 -6.419 3.316 -5.244 668 HD13 LEU 83 HD13 LEU 83 -5.786 1.737 -5.699 669 HD21 LEU 83 HD21 LEU 83 -5.738 2.166 -8.847 670 HD22 LEU 83 HD22 LEU 83 -4.507 1.447 -7.812 671 HD23 LEU 83 HD23 LEU 83 -4.099 2.825 -8.824 672 H GLU 84 H GLU 84 -5.273 7.768 -7.853 673 HA GLU 84 HA GLU 84 -7.559 8.622 -9.308 674 HB2 GLU 84 HB3 GLU 84 -6.883 9.528 -7.103 675 HB3 GLU 84 HB2 GLU 84 -5.453 10.256 -7.831 676 HG2 GLU 84 HG3 GLU 84 -6.933 11.698 -9.215 677 HG3 GLU 84 HG2 GLU 84 -8.340 10.985 -8.423 678 H LEU 85 H LEU 85 -4.067 9.018 -9.850 679 HA LEU 85 HA LEU 85 -4.295 10.843 -12.077 680 HB2 LEU 85 HB3 LEU 85 -2.314 10.540 -10.438 681 HB3 LEU 85 HB2 LEU 85 -1.876 9.124 -11.367 682 HG LEU 85 HG LEU 85 -2.002 11.934 -12.565 683 HD11 LEU 85 HD11 LEU 85 0.440 10.488 -11.490 684 HD12 LEU 85 HD12 LEU 85 -0.333 11.903 -10.774 685 HD13 LEU 85 HD13 LEU 85 0.440 12.031 -12.351 686 HD21 LEU 85 HD21 LEU 85 -0.666 9.412 -13.632 687 HD22 LEU 85 HD22 LEU 85 -0.577 11.016 -14.367 688 HD23 LEU 85 HD23 LEU 85 -2.122 10.176 -14.281 689 H TYR 86 H TYR 86 -3.454 7.364 -11.799 690 HA TYR 86 HA TYR 86 -3.169 7.110 -14.690 691 HB2 TYR 86 HB2 TYR 86 -2.639 5.141 -12.431 692 HB3 TYR 86 HB1 TYR 86 -2.330 4.800 -14.129 693 HD1 TYR 86 HD1 TYR 86 -1.162 6.734 -11.188 694 HD2 TYR 86 HD2 TYR 86 -0.391 5.821 -15.287 695 HE1 TYR 86 HE1 TYR 86 1.084 7.688 -10.968 696 HE2 TYR 86 HE2 TYR 86 1.869 6.773 -15.067 697 HH TYR 86 HH TYR 86 3.278 7.506 -12.051 698 H TYR 87 H TYR 87 -5.262 5.634 -12.149 699 HA TYR 87 HA TYR 87 -6.984 4.436 -14.272 700 HB2 TYR 87 HB2 TYR 87 -6.261 3.097 -11.621 701 HB3 TYR 87 HB1 TYR 87 -7.277 2.415 -12.889 702 HD1 TYR 87 HD1 TYR 87 -3.930 2.555 -11.611 703 HD2 TYR 87 HD2 TYR 87 -6.141 2.143 -15.254 704 HE1 TYR 87 HE1 TYR 87 -1.948 1.600 -12.719 705 HE2 TYR 87 HE2 TYR 87 -4.166 1.187 -16.344 706 HH TYR 87 HH TYR 87 -1.443 0.146 -14.669 707 HA PRO 88 HA PRO 88 -9.340 7.426 -11.495 708 HB2 PRO 88 HB3 PRO 88 -11.253 8.115 -13.414 709 HB3 PRO 88 HB2 PRO 88 -9.699 8.927 -13.210 710 HG2 PRO 88 HG3 PRO 88 -10.458 6.747 -15.149 711 HG3 PRO 88 HG2 PRO 88 -9.514 8.225 -15.445 712 HD2 PRO 88 HD3 PRO 88 -8.284 5.858 -15.143 713 HD3 PRO 88 HD2 PRO 88 -7.572 7.335 -14.451 714 H GLN 89 H GLN 89 -11.049 5.122 -13.685 715 HA GLN 89 HA GLN 89 -13.365 4.797 -12.096 716 HB2 GLN 89 HB3 GLN 89 -13.494 2.473 -13.405 717 HB3 GLN 89 HB2 GLN 89 -13.802 3.998 -14.207 718 HG2 GLN 89 HG3 GLN 89 -12.447 2.440 -15.574 719 HG3 GLN 89 HG2 GLN 89 -11.627 3.967 -15.265 720 HE21 GLN 89 HE21 GLN 89 -11.738 0.574 -14.382 721 HE22 GLN 89 HE22 GLN 89 -10.112 0.481 -13.820 722 H LEU 90 H LEU 90 -10.247 3.116 -11.920 723 HA LEU 90 HA LEU 90 -11.077 1.066 -10.088 724 HB2 LEU 90 HB3 LEU 90 -9.080 0.829 -11.550 725 HB3 LEU 90 HB2 LEU 90 -8.288 2.135 -10.686 726 HG LEU 90 HG LEU 90 -8.277 0.732 -8.606 727 HD11 LEU 90 HD11 LEU 90 -9.379 -1.478 -10.371 728 HD12 LEU 90 HD12 LEU 90 -10.221 -0.684 -9.037 729 HD13 LEU 90 HD13 LEU 90 -8.795 -1.668 -8.714 730 HD21 LEU 90 HD21 LEU 90 -6.497 -0.814 -9.296 731 HD22 LEU 90 HD22 LEU 90 -6.301 0.762 -10.060 732 HD23 LEU 90 HD23 LEU 90 -6.944 -0.592 -10.992 733 H TYR 91 H TYR 91 -9.474 4.237 -9.733 734 HA TYR 91 HA TYR 91 -9.101 4.368 -6.974 735 HB2 TYR 91 HB2 TYR 91 -8.231 6.088 -8.444 736 HB3 TYR 91 HB1 TYR 91 -9.849 6.559 -8.956 737 HD1 TYR 91 HD1 TYR 91 -7.853 6.240 -5.775 738 HD2 TYR 91 HD2 TYR 91 -10.734 8.525 -7.956 739 HE1 TYR 91 HE1 TYR 91 -7.917 7.886 -3.964 740 HE2 TYR 91 HE2 TYR 91 -10.789 10.182 -6.136 741 HH TYR 91 HH TYR 91 -8.495 10.215 -3.594 742 H LYS 92 H LYS 92 -11.972 5.377 -8.837 743 HA LYS 92 HA LYS 92 -13.595 6.173 -6.646 744 HB2 LYS 92 HB3 LYS 92 -14.386 5.303 -9.459 745 HB3 LYS 92 HB2 LYS 92 -15.463 6.108 -8.317 746 HG2 LYS 92 HG3 LYS 92 -14.018 8.107 -8.349 747 HG3 LYS 92 HG2 LYS 92 -12.912 7.297 -9.465 748 HD2 LYS 92 HD3 LYS 92 -14.739 7.166 -11.157 749 HD3 LYS 92 HD2 LYS 92 -15.823 8.004 -10.039 750 HE2 LYS 92 HE3 LYS 92 -14.334 9.985 -10.094 751 HE3 LYS 92 HE2 LYS 92 -13.259 9.143 -11.214 752 HZ1 LYS 92 HZ1 LYS 92 -15.022 9.071 -12.829 753 HZ2 LYS 92 HZ2 LYS 92 -14.784 10.668 -12.327 754 HZ3 LYS 92 HZ3 LYS 92 -16.103 9.789 -11.751 755 H LYS 93 H LYS 93 -12.925 3.042 -7.996 756 HA LYS 93 HA LYS 93 -15.222 1.664 -6.904 757 HB2 LYS 93 HB3 LYS 93 -13.877 1.004 -8.991 758 HB3 LYS 93 HB2 LYS 93 -12.617 0.435 -7.903 759 HG2 LYS 93 HG3 LYS 93 -14.195 -1.201 -6.929 760 HG3 LYS 93 HG2 LYS 93 -15.468 -0.608 -8.002 761 HD2 LYS 93 HD3 LYS 93 -13.948 -1.257 -9.961 762 HD3 LYS 93 HD2 LYS 93 -12.912 -2.064 -8.777 763 HE2 LYS 93 HE3 LYS 93 -15.814 -2.726 -9.396 764 HE3 LYS 93 HE2 LYS 93 -14.397 -3.690 -9.814 765 HZ1 LYS 93 HZ1 LYS 93 -15.434 -3.138 -7.095 766 HZ2 LYS 93 HZ2 LYS 93 -13.975 -3.916 -7.412 767 HZ3 LYS 93 HZ3 LYS 93 -15.425 -4.625 -7.902 768 H VAL 94 H VAL 94 -11.757 1.928 -6.073 769 HA VAL 94 HA VAL 94 -11.844 0.112 -3.842 770 HB VAL 94 HB VAL 94 -9.682 2.110 -4.649 771 HG11 VAL 94 HG11 VAL 94 -9.471 -0.285 -2.776 772 HG12 VAL 94 HG12 VAL 94 -9.381 1.412 -2.299 773 HG13 VAL 94 HG13 VAL 94 -8.120 0.716 -3.317 774 HG21 VAL 94 HG21 VAL 94 -10.198 0.459 -6.435 775 HG22 VAL 94 HG22 VAL 94 -9.882 -0.858 -5.300 776 HG23 VAL 94 HG23 VAL 94 -8.577 0.233 -5.774 777 H THR 95 H THR 95 -11.813 3.669 -4.122 778 HA THR 95 HA THR 95 -11.895 4.060 -1.217 779 HB THR 95 HB THR 95 -11.888 6.483 -1.705 780 HG1 THR 95 HG1 THR 95 -11.497 6.279 -4.412 781 HG21 THR 95 HG21 THR 95 -9.703 6.649 -2.833 782 HG22 THR 95 HG22 THR 95 -9.859 4.989 -3.409 783 HG23 THR 95 HG23 THR 95 -9.707 5.313 -1.679 784 H GLY 96 H GLY 96 -14.146 3.906 -3.866 785 HA2 GLY 96 HA3 GLY 96 -16.449 3.840 -3.890 786 HA3 GLY 96 HA2 GLY 96 -16.454 4.039 -2.143 787 H LYS 97 H LYS 97 -15.687 5.924 -5.090 788 HA LYS 97 HA LYS 97 -16.659 8.427 -3.897 789 HB2 LYS 97 HB3 LYS 97 -15.426 7.874 -6.633 790 HB3 LYS 97 HB2 LYS 97 -15.855 9.472 -6.028 791 HG2 LYS 97 HG3 LYS 97 -13.753 7.632 -4.835 792 HG3 LYS 97 HG2 LYS 97 -13.436 9.038 -5.855 793 HD2 LYS 97 HD3 LYS 97 -14.446 10.512 -4.126 794 HD3 LYS 97 HD2 LYS 97 -14.761 9.103 -3.108 795 HE2 LYS 97 HE3 LYS 97 -12.311 8.681 -2.985 796 HE3 LYS 97 HE2 LYS 97 -12.028 10.127 -3.959 797 HZ1 LYS 97 HZ1 LYS 97 -11.753 10.586 -1.631 798 HZ2 LYS 97 HZ2 LYS 97 -13.315 10.041 -1.290 799 HZ3 LYS 97 HZ3 LYS 97 -13.090 11.436 -2.224 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -2.513 17.026 13.189 2 H2 MET 1 HT2 MET 1 -4.144 16.659 12.933 3 H3 MET 1 HT3 MET 1 -2.943 15.647 12.313 4 HA MET 1 HA MET 1 -3.388 16.146 15.185 5 HB2 MET 1 HB2 MET 1 -5.304 14.939 14.119 6 HB3 MET 1 HB1 MET 1 -4.193 13.712 13.531 7 HG2 MET 1 HG2 MET 1 -3.658 13.100 15.867 8 HG3 MET 1 HG1 MET 1 -4.811 14.313 16.435 9 HE1 MET 1 HE1 MET 1 -6.175 12.535 17.867 10 HE2 MET 1 HE2 MET 1 -5.027 11.278 17.400 11 HE3 MET 1 HE3 MET 1 -6.759 11.002 17.219 12 H SER 2 H SER 2 -1.284 16.158 15.915 13 HA SER 2 HA SER 2 0.773 14.373 14.930 14 HB2 SER 2 HB3 SER 2 0.776 16.197 17.380 15 HB3 SER 2 HB2 SER 2 2.193 15.378 16.718 16 HG SER 2 HG SER 2 0.889 17.653 15.861 17 H ASP 3 H ASP 3 -0.083 12.308 15.237 18 HA ASP 3 HA ASP 3 -0.079 11.196 17.944 19 HB2 ASP 3 HB3 ASP 3 -2.401 12.104 17.515 20 HB3 ASP 3 HB2 ASP 3 -2.545 11.019 16.138 21 H TYR 4 H TYR 4 0.178 8.912 17.977 22 HA TYR 4 HA TYR 4 1.321 7.688 15.618 23 HB2 TYR 4 HB2 TYR 4 0.681 6.315 18.271 24 HB3 TYR 4 HB1 TYR 4 1.780 5.742 17.026 25 HD1 TYR 4 HD1 TYR 4 3.901 7.233 16.556 26 HD2 TYR 4 HD2 TYR 4 1.513 7.568 20.085 27 HE1 TYR 4 HE1 TYR 4 5.780 8.298 17.733 28 HE2 TYR 4 HE2 TYR 4 3.387 8.631 21.257 29 HH TYR 4 HH TYR 4 5.773 8.790 21.140 30 H GLU 5 H GLU 5 -0.696 7.850 14.262 31 HA GLU 5 HA GLU 5 -2.886 6.075 14.875 32 HB2 GLU 5 HB3 GLU 5 -3.694 6.510 12.578 33 HB3 GLU 5 HB2 GLU 5 -3.370 7.995 13.457 34 HG2 GLU 5 HG3 GLU 5 -1.485 8.506 12.150 35 HG3 GLU 5 HG2 GLU 5 -1.332 6.866 11.535 36 H ASN 6 H ASN 6 -2.434 3.957 15.020 37 HA ASN 6 HA ASN 6 -0.541 2.516 13.497 38 HB2 ASN 6 HB3 ASN 6 -1.879 0.460 14.291 39 HB3 ASN 6 HB2 ASN 6 -1.143 1.478 15.524 40 HD21 ASN 6 HD21 ASN 6 -4.146 0.379 14.145 41 HD22 ASN 6 HD22 ASN 6 -5.169 1.065 15.354 42 H ASP 7 H ASP 7 -0.653 2.741 11.359 43 HA ASP 7 HA ASP 7 -3.007 3.050 9.831 44 HB2 ASP 7 HB3 ASP 7 -0.080 2.809 9.165 45 HB3 ASP 7 HB2 ASP 7 -1.258 2.695 7.859 46 H ASP 8 H ASP 8 -1.959 0.172 11.068 47 HA ASP 8 HA ASP 8 -2.707 -1.727 9.174 48 HB2 ASP 8 HB3 ASP 8 -3.422 -1.677 12.144 49 HB3 ASP 8 HB2 ASP 8 -3.469 -3.103 11.104 50 H GLU 9 H GLU 9 -4.714 0.450 11.125 51 HA GLU 9 HA GLU 9 -7.288 -0.488 10.348 52 HB2 GLU 9 HB3 GLU 9 -6.438 2.307 11.227 53 HB3 GLU 9 HB2 GLU 9 -8.093 1.705 11.201 54 HG2 GLU 9 HG3 GLU 9 -7.513 0.028 12.914 55 HG3 GLU 9 HG2 GLU 9 -5.850 0.611 12.933 56 H CYS 10 H CYS 10 -5.081 1.881 8.878 57 HA CYS 10 HA CYS 10 -6.917 2.909 6.923 58 HB2 CYS 10 HB3 CYS 10 -3.873 3.024 7.044 59 HB3 CYS 10 HB2 CYS 10 -4.859 3.934 5.898 60 H TRP 11 H TRP 11 -4.178 0.617 6.717 61 HA TRP 11 HA TRP 11 -4.457 0.135 3.902 62 HB2 TRP 11 HB2 TRP 11 -2.683 -1.111 6.045 63 HB3 TRP 11 HB1 TRP 11 -2.597 -1.559 4.341 64 HD1 TRP 11 HD1 TRP 11 -1.559 1.259 6.724 65 HE1 TRP 11 HE1 TRP 11 -0.082 2.930 5.457 66 HE3 TRP 11 HE3 TRP 11 -2.200 -0.546 2.000 67 HZ2 TRP 11 HZ2 TRP 11 0.701 3.420 2.801 68 HZ3 TRP 11 HZ3 TRP 11 -1.056 0.589 0.138 69 HH2 TRP 11 HH2 TRP 11 0.364 2.532 0.535 70 H SER 12 H SER 12 -5.765 -1.487 6.750 71 HA SER 12 HA SER 12 -6.338 -4.006 5.522 72 HB2 SER 12 HB3 SER 12 -7.993 -4.332 7.376 73 HB3 SER 12 HB2 SER 12 -6.398 -3.835 7.945 74 HG SER 12 HG SER 12 -7.331 -2.206 8.843 75 H VAL 13 H VAL 13 -7.983 -0.923 5.439 76 HA VAL 13 HA VAL 13 -10.475 -1.672 4.301 77 HB VAL 13 HB VAL 13 -8.907 0.925 3.921 78 HG11 VAL 13 HG11 VAL 13 -11.097 1.984 3.408 79 HG12 VAL 13 HG12 VAL 13 -11.876 0.403 3.497 80 HG13 VAL 13 HG13 VAL 13 -10.690 0.729 2.232 81 HG21 VAL 13 HG21 VAL 13 -9.288 0.454 6.304 82 HG22 VAL 13 HG22 VAL 13 -11.013 0.225 6.003 83 HG23 VAL 13 HG23 VAL 13 -10.284 1.818 5.786 84 H LEU 14 H LEU 14 -7.316 -0.946 2.879 85 HA LEU 14 HA LEU 14 -8.099 -1.288 0.127 86 HB2 LEU 14 HB3 LEU 14 -5.310 -1.371 1.329 87 HB3 LEU 14 HB2 LEU 14 -5.705 -1.141 -0.371 88 HG LEU 14 HG LEU 14 -6.273 0.811 1.895 89 HD11 LEU 14 HD11 LEU 14 -4.634 2.252 0.772 90 HD12 LEU 14 HD12 LEU 14 -4.298 0.969 -0.396 91 HD13 LEU 14 HD13 LEU 14 -3.930 0.732 1.314 92 HD21 LEU 14 HD21 LEU 14 -6.899 1.131 -1.064 93 HD22 LEU 14 HD22 LEU 14 -7.053 2.384 0.172 94 HD23 LEU 14 HD23 LEU 14 -8.072 0.951 0.247 95 H GLU 15 H GLU 15 -6.863 -3.377 2.675 96 HA GLU 15 HA GLU 15 -5.751 -5.490 1.209 97 HB2 GLU 15 HB3 GLU 15 -5.640 -5.023 3.753 98 HB3 GLU 15 HB2 GLU 15 -7.173 -5.868 3.881 99 HG2 GLU 15 HG3 GLU 15 -4.598 -7.078 2.812 100 HG3 GLU 15 HG2 GLU 15 -5.175 -7.261 4.461 101 H GLY 16 H GLY 16 -9.134 -5.002 2.262 102 HA2 GLY 16 HA3 GLY 16 -10.310 -7.372 1.363 103 HA3 GLY 16 HA2 GLY 16 -11.117 -5.815 1.425 104 H PHE 17 H PHE 17 -9.209 -4.607 -0.542 105 HA PHE 17 HA PHE 17 -10.316 -5.747 -3.061 106 HB2 PHE 17 HB2 PHE 17 -9.079 -2.992 -2.536 107 HB3 PHE 17 HB1 PHE 17 -9.826 -3.520 -4.041 108 HD1 PHE 17 HD1 PHE 17 -12.330 -4.245 -3.924 109 HD2 PHE 17 HD2 PHE 17 -10.406 -1.864 -0.934 110 HE1 PHE 17 HE1 PHE 17 -14.515 -3.434 -3.155 111 HE2 PHE 17 HE2 PHE 17 -12.603 -1.060 -0.172 112 HZ PHE 17 HZ PHE 17 -14.654 -1.849 -1.281 113 H ARG 18 H ARG 18 -7.546 -6.062 -1.303 114 HA ARG 18 HA ARG 18 -5.431 -5.065 -2.836 115 HB2 ARG 18 HB3 ARG 18 -5.205 -5.716 -0.494 116 HB3 ARG 18 HB2 ARG 18 -5.446 -7.409 -0.900 117 HG2 ARG 18 HG3 ARG 18 -3.313 -7.474 -2.082 118 HG3 ARG 18 HG2 ARG 18 -3.091 -5.738 -1.845 119 HD2 ARG 18 HD3 ARG 18 -1.740 -7.057 -0.257 120 HD3 ARG 18 HD2 ARG 18 -2.933 -6.064 0.581 121 HE ARG 18 HE ARG 18 -4.304 -8.236 0.611 122 HH11 ARG 18 HH11 ARG 18 -0.857 -8.177 0.892 123 HH12 ARG 18 HH12 ARG 18 -0.807 -9.653 1.786 124 HH21 ARG 18 HH21 ARG 18 -4.214 -10.094 1.760 125 HH22 ARG 18 HH22 ARG 18 -2.685 -10.734 2.252 126 H VAL 19 H VAL 19 -6.900 -8.329 -2.981 127 HA VAL 19 HA VAL 19 -5.115 -9.512 -4.814 128 HB VAL 19 HB VAL 19 -6.983 -11.100 -5.367 129 HG11 VAL 19 HG11 VAL 19 -7.209 -12.053 -3.092 130 HG12 VAL 19 HG12 VAL 19 -6.615 -10.543 -2.398 131 HG13 VAL 19 HG13 VAL 19 -5.554 -11.526 -3.410 132 HG21 VAL 19 HG21 VAL 19 -9.165 -10.886 -4.199 133 HG22 VAL 19 HG22 VAL 19 -8.888 -9.524 -5.288 134 HG23 VAL 19 HG23 VAL 19 -8.663 -9.322 -3.549 135 H THR 20 H THR 20 -7.834 -7.332 -5.419 136 HA THR 20 HA THR 20 -7.761 -7.585 -8.310 137 HB THR 20 HB THR 20 -9.142 -5.478 -6.580 138 HG1 THR 20 HG1 THR 20 -10.140 -7.881 -7.754 139 HG21 THR 20 HG21 THR 20 -8.872 -4.687 -8.904 140 HG22 THR 20 HG22 THR 20 -10.564 -5.063 -8.568 141 HG23 THR 20 HG23 THR 20 -9.581 -6.189 -9.504 142 H LEU 21 H LEU 21 -6.746 -5.155 -5.901 143 HA LEU 21 HA LEU 21 -5.827 -3.118 -7.581 144 HB2 LEU 21 HB3 LEU 21 -4.899 -3.846 -4.772 145 HB3 LEU 21 HB2 LEU 21 -4.518 -2.327 -5.577 146 HG LEU 21 HG LEU 21 -7.310 -3.275 -4.819 147 HD11 LEU 21 HD11 LEU 21 -5.620 -1.088 -3.574 148 HD12 LEU 21 HD12 LEU 21 -6.020 -2.647 -2.847 149 HD13 LEU 21 HD13 LEU 21 -7.295 -1.473 -3.162 150 HD21 LEU 21 HD21 LEU 21 -6.450 -0.646 -6.071 151 HD22 LEU 21 HD22 LEU 21 -8.080 -1.068 -5.536 152 HD23 LEU 21 HD23 LEU 21 -7.346 -1.942 -6.874 153 H THR 22 H THR 22 -4.049 -5.832 -6.165 154 HA THR 22 HA THR 22 -1.461 -5.149 -7.081 155 HB THR 22 HB THR 22 -0.886 -7.539 -6.561 156 HG1 THR 22 HG1 THR 22 -2.797 -8.642 -5.454 157 HG21 THR 22 HG21 THR 22 -1.364 -7.442 -4.139 158 HG22 THR 22 HG22 THR 22 -2.541 -6.157 -4.414 159 HG23 THR 22 HG23 THR 22 -0.830 -5.871 -4.742 160 H SER 23 H SER 23 -4.072 -7.019 -8.490 161 HA SER 23 HA SER 23 -2.593 -8.112 -10.696 162 HB2 SER 23 HB3 SER 23 -4.609 -9.224 -9.799 163 HB3 SER 23 HB2 SER 23 -5.598 -7.851 -10.287 164 HG SER 23 HG SER 23 -5.762 -9.430 -11.847 165 H VAL 24 H VAL 24 -4.706 -5.257 -10.281 166 HA VAL 24 HA VAL 24 -4.660 -4.551 -13.113 167 HB VAL 24 HB VAL 24 -5.797 -2.989 -10.746 168 HG11 VAL 24 HG11 VAL 24 -7.069 -1.684 -12.442 169 HG12 VAL 24 HG12 VAL 24 -6.212 -2.532 -13.730 170 HG13 VAL 24 HG13 VAL 24 -5.325 -1.469 -12.634 171 HG21 VAL 24 HG21 VAL 24 -6.931 -5.157 -11.046 172 HG22 VAL 24 HG22 VAL 24 -7.217 -4.782 -12.747 173 HG23 VAL 24 HG23 VAL 24 -8.007 -3.825 -11.491 174 H ILE 25 H ILE 25 -3.556 -2.875 -10.140 175 HA ILE 25 HA ILE 25 -2.278 -0.691 -11.399 176 HB ILE 25 HB ILE 25 -1.807 -1.857 -8.621 177 HG12 ILE 25 HG12 ILE 25 -3.573 0.490 -9.415 178 HG13 ILE 25 HG11 ILE 25 -4.173 -1.141 -9.139 179 HG21 ILE 25 HG21 ILE 25 -1.021 0.892 -9.649 180 HG22 ILE 25 HG22 ILE 25 0.088 -0.410 -9.217 181 HG23 ILE 25 HG23 ILE 25 -0.899 0.359 -7.971 182 HD11 ILE 25 HD11 ILE 25 -2.834 0.619 -7.091 183 HD12 ILE 25 HD12 ILE 25 -3.424 -1.024 -6.818 184 HD13 ILE 25 HD13 ILE 25 -4.556 0.265 -7.221 185 H ASP 26 H ASP 26 -0.416 -0.710 -12.596 186 HA ASP 26 HA ASP 26 1.670 -2.687 -12.077 187 HB2 ASP 26 HB3 ASP 26 1.200 -2.073 -14.424 188 HB3 ASP 26 HB2 ASP 26 1.658 -0.404 -14.091 189 HA PRO 27 HA PRO 27 3.496 0.259 -9.147 190 HB2 PRO 27 HB3 PRO 27 5.423 -1.352 -8.121 191 HB3 PRO 27 HB2 PRO 27 3.710 -1.600 -7.747 192 HG2 PRO 27 HG3 PRO 27 5.439 -3.047 -9.751 193 HG3 PRO 27 HG2 PRO 27 4.264 -3.720 -8.599 194 HD2 PRO 27 HD3 PRO 27 3.700 -3.269 -11.261 195 HD3 PRO 27 HD2 PRO 27 2.464 -3.265 -9.986 196 H SER 28 H SER 28 5.180 -1.421 -11.729 197 HA SER 28 HA SER 28 7.739 -0.186 -11.520 198 HB2 SER 28 HB3 SER 28 6.460 -1.585 -13.911 199 HB3 SER 28 HB2 SER 28 8.182 -1.234 -13.711 200 HG SER 28 HG SER 28 7.687 -3.375 -13.111 201 H ARG 29 H ARG 29 4.788 0.650 -13.258 202 HA ARG 29 HA ARG 29 5.942 2.711 -14.892 203 HB2 ARG 29 HB3 ARG 29 3.662 1.371 -15.193 204 HB3 ARG 29 HB2 ARG 29 2.980 2.647 -14.203 205 HG2 ARG 29 HG3 ARG 29 4.504 3.174 -16.780 206 HG3 ARG 29 HG2 ARG 29 2.760 2.934 -16.729 207 HD2 ARG 29 HD3 ARG 29 2.367 5.003 -15.755 208 HD3 ARG 29 HD2 ARG 29 3.929 5.048 -14.940 209 HE ARG 29 HE ARG 29 3.582 5.516 -17.845 210 HH11 ARG 29 HH11 ARG 29 5.156 6.297 -14.846 211 HH12 ARG 29 HH12 ARG 29 6.134 7.521 -15.578 212 HH21 ARG 29 HH21 ARG 29 4.895 7.034 -18.728 213 HH22 ARG 29 HH22 ARG 29 6.005 7.910 -17.734 214 H ILE 30 H ILE 30 4.304 2.610 -11.737 215 HA ILE 30 HA ILE 30 4.377 5.534 -11.472 216 HB ILE 30 HB ILE 30 2.999 5.284 -9.480 217 HG12 ILE 30 HG12 ILE 30 3.231 2.254 -9.814 218 HG13 ILE 30 HG11 ILE 30 4.069 3.189 -8.581 219 HG21 ILE 30 HG21 ILE 30 1.973 3.493 -11.719 220 HG22 ILE 30 HG22 ILE 30 1.837 5.251 -11.650 221 HG23 ILE 30 HG23 ILE 30 0.977 4.256 -10.474 222 HD11 ILE 30 HD11 ILE 30 2.148 2.122 -7.628 223 HD12 ILE 30 HD12 ILE 30 1.087 2.833 -8.843 224 HD13 ILE 30 HD13 ILE 30 1.885 3.869 -7.650 225 H THR 31 H THR 31 6.729 3.267 -10.980 226 HA THR 31 HA THR 31 7.717 3.728 -8.409 227 HB THR 31 HB THR 31 10.089 3.298 -9.408 228 HG1 THR 31 HG1 THR 31 9.176 2.054 -11.607 229 HG21 THR 31 HG21 THR 31 8.809 1.546 -8.271 230 HG22 THR 31 HG22 THR 31 9.685 0.886 -9.656 231 HG23 THR 31 HG23 THR 31 7.948 1.185 -9.769 232 HA PRO 32 HA PRO 32 10.335 7.586 -9.948 233 HB2 PRO 32 HB3 PRO 32 9.458 9.015 -12.124 234 HB3 PRO 32 HB2 PRO 32 10.598 7.672 -12.264 235 HG2 PRO 32 HG3 PRO 32 7.611 7.656 -12.689 236 HG3 PRO 32 HG2 PRO 32 8.886 6.968 -13.721 237 HD2 PRO 32 HD3 PRO 32 7.488 5.412 -12.014 238 HD3 PRO 32 HD2 PRO 32 9.214 5.119 -12.312 239 H TYR 33 H TYR 33 6.847 7.498 -10.346 240 HA TYR 33 HA TYR 33 6.176 10.080 -9.367 241 HB2 TYR 33 HB2 TYR 33 4.573 8.752 -10.674 242 HB3 TYR 33 HB1 TYR 33 4.559 7.493 -9.440 243 HD1 TYR 33 HD1 TYR 33 2.787 7.525 -7.856 244 HD2 TYR 33 HD2 TYR 33 3.926 11.176 -9.794 245 HE1 TYR 33 HE1 TYR 33 0.966 8.718 -6.710 246 HE2 TYR 33 HE2 TYR 33 2.105 12.351 -8.651 247 HH TYR 33 HH TYR 33 0.508 11.105 -6.021 248 H LEU 34 H LEU 34 6.378 6.878 -7.783 249 HA LEU 34 HA LEU 34 5.698 7.805 -5.159 250 HB2 LEU 34 HB3 LEU 34 7.109 5.245 -6.013 251 HB3 LEU 34 HB2 LEU 34 6.442 5.549 -4.415 252 HG LEU 34 HG LEU 34 4.862 5.257 -6.999 253 HD11 LEU 34 HD11 LEU 34 5.015 3.433 -4.581 254 HD12 LEU 34 HD12 LEU 34 5.732 3.139 -6.168 255 HD13 LEU 34 HD13 LEU 34 3.982 3.205 -5.997 256 HD21 LEU 34 HD21 LEU 34 3.769 6.912 -5.569 257 HD22 LEU 34 HD22 LEU 34 3.800 5.793 -4.202 258 HD23 LEU 34 HD23 LEU 34 2.825 5.426 -5.628 259 H ARG 35 H ARG 35 8.715 7.488 -6.942 260 HA ARG 35 HA ARG 35 10.539 7.883 -4.768 261 HB2 ARG 35 HB3 ARG 35 10.846 8.236 -7.772 262 HB3 ARG 35 HB2 ARG 35 12.179 8.469 -6.645 263 HG2 ARG 35 HG3 ARG 35 10.614 5.882 -6.850 264 HG3 ARG 35 HG2 ARG 35 12.077 6.208 -7.778 265 HD2 ARG 35 HD3 ARG 35 11.953 6.259 -4.739 266 HD3 ARG 35 HD2 ARG 35 12.446 4.855 -5.690 267 HE ARG 35 HE ARG 35 14.227 6.375 -6.622 268 HH11 ARG 35 HH11 ARG 35 13.031 6.862 -3.421 269 HH12 ARG 35 HH12 ARG 35 14.501 7.576 -2.876 270 HH21 ARG 35 HH21 ARG 35 16.096 7.285 -5.899 271 HH22 ARG 35 HH22 ARG 35 16.203 7.824 -4.262 272 H GLN 36 H GLN 36 9.282 10.196 -7.262 273 HA GLN 36 HA GLN 36 10.508 12.518 -6.164 274 HB2 GLN 36 HB3 GLN 36 9.024 13.839 -7.578 275 HB3 GLN 36 HB2 GLN 36 9.602 12.447 -8.484 276 HG2 GLN 36 HG3 GLN 36 7.456 11.301 -8.126 277 HG3 GLN 36 HG2 GLN 36 6.870 12.669 -7.180 278 HE21 GLN 36 HE21 GLN 36 5.117 12.937 -8.595 279 HE22 GLN 36 HE22 GLN 36 5.312 13.606 -10.173 280 H CYS 37 H CYS 37 7.519 10.855 -5.337 281 HA CYS 37 HA CYS 37 6.535 12.879 -3.510 282 HB2 CYS 37 HB3 CYS 37 4.969 11.332 -4.621 283 HB3 CYS 37 HB2 CYS 37 5.741 9.958 -3.839 284 HG CYS 37 HG CYS 37 3.240 11.750 -2.785 285 H LYS 38 H LYS 38 8.971 10.505 -3.357 286 HA LYS 38 HA LYS 38 10.282 9.586 -1.791 287 HB2 LYS 38 HB3 LYS 38 9.412 12.006 -0.176 288 HB3 LYS 38 HB2 LYS 38 10.704 10.921 0.324 289 HG2 LYS 38 HG3 LYS 38 10.682 12.619 -2.195 290 HG3 LYS 38 HG2 LYS 38 11.584 12.964 -0.719 291 HD2 LYS 38 HD3 LYS 38 12.013 10.541 -2.515 292 HD3 LYS 38 HD2 LYS 38 13.010 11.993 -2.516 293 HE2 LYS 38 HE3 LYS 38 12.676 10.099 -0.160 294 HE3 LYS 38 HE2 LYS 38 14.063 10.142 -1.249 295 HZ1 LYS 38 HZ1 LYS 38 14.536 11.341 0.765 296 HZ2 LYS 38 HZ2 LYS 38 13.192 12.338 0.553 297 HZ3 LYS 38 HZ3 LYS 38 14.487 12.428 -0.528 298 H VAL 39 H VAL 39 7.605 8.578 -1.919 299 HA VAL 39 HA VAL 39 7.342 7.359 0.764 300 HB VAL 39 HB VAL 39 5.246 6.333 -0.054 301 HG11 VAL 39 HG11 VAL 39 5.328 9.338 -0.518 302 HG12 VAL 39 HG12 VAL 39 5.130 8.531 1.040 303 HG13 VAL 39 HG13 VAL 39 3.881 8.378 -0.194 304 HG21 VAL 39 HG21 VAL 39 5.791 6.086 -2.444 305 HG22 VAL 39 HG22 VAL 39 5.736 7.837 -2.656 306 HG23 VAL 39 HG23 VAL 39 4.265 6.951 -2.242 307 H LEU 40 H LEU 40 8.918 6.846 -2.146 308 HA LEU 40 HA LEU 40 9.240 3.932 -1.668 309 HB2 LEU 40 HB3 LEU 40 8.104 4.703 -3.855 310 HB3 LEU 40 HB2 LEU 40 9.654 5.373 -4.321 311 HG LEU 40 HG LEU 40 10.608 2.997 -4.066 312 HD11 LEU 40 HD11 LEU 40 9.032 1.128 -4.169 313 HD12 LEU 40 HD12 LEU 40 7.675 2.243 -4.000 314 HD13 LEU 40 HD13 LEU 40 8.832 2.049 -2.679 315 HD21 LEU 40 HD21 LEU 40 8.510 3.422 -6.219 316 HD22 LEU 40 HD22 LEU 40 9.841 2.260 -6.276 317 HD23 LEU 40 HD23 LEU 40 10.183 3.990 -6.273 318 H ASN 41 H ASN 41 11.287 3.267 -1.250 319 HA ASN 41 HA ASN 41 13.552 5.140 -1.378 320 HB2 ASN 41 HB3 ASN 41 13.351 2.295 -0.257 321 HB3 ASN 41 HB2 ASN 41 14.802 3.294 -0.190 322 HD21 ASN 41 HD21 ASN 41 14.824 3.249 2.074 323 HD22 ASN 41 HD22 ASN 41 13.674 4.125 3.018 324 HA PRO 42 HA PRO 42 15.500 3.452 -5.113 325 HB2 PRO 42 HB3 PRO 42 18.147 3.055 -4.273 326 HB3 PRO 42 HB2 PRO 42 17.479 4.612 -4.777 327 HG2 PRO 42 HG3 PRO 42 17.807 3.506 -1.993 328 HG3 PRO 42 HG2 PRO 42 18.178 5.135 -2.599 329 HD2 PRO 42 HD3 PRO 42 15.932 4.705 -1.226 330 HD3 PRO 42 HD2 PRO 42 15.908 5.777 -2.645 331 H ASP 43 H ASP 43 15.978 1.776 -2.064 332 HA ASP 43 HA ASP 43 16.892 -0.757 -2.895 333 HB2 ASP 43 HB3 ASP 43 15.047 -0.221 -0.523 334 HB3 ASP 43 HB2 ASP 43 16.226 -1.524 -0.686 335 H ASP 44 H ASP 44 13.639 0.509 -2.341 336 HA ASP 44 HA ASP 44 12.202 -1.900 -2.949 337 HB2 ASP 44 HB3 ASP 44 11.060 0.913 -2.944 338 HB3 ASP 44 HB2 ASP 44 10.218 -0.599 -2.602 339 H GLU 45 H GLU 45 13.056 1.029 -4.720 340 HA GLU 45 HA GLU 45 11.571 0.583 -7.083 341 HB2 GLU 45 HB3 GLU 45 12.615 2.759 -6.525 342 HB3 GLU 45 HB2 GLU 45 14.219 2.055 -6.723 343 HG2 GLU 45 HG3 GLU 45 13.740 1.643 -9.116 344 HG3 GLU 45 HG2 GLU 45 12.136 2.345 -8.911 345 H GLU 46 H GLU 46 14.917 -0.337 -6.204 346 HA GLU 46 HA GLU 46 15.690 -1.746 -8.498 347 HB2 GLU 46 HB3 GLU 46 16.430 -2.110 -5.567 348 HB3 GLU 46 HB2 GLU 46 17.156 -3.088 -6.837 349 HG2 GLU 46 HG3 GLU 46 17.322 -0.067 -6.660 350 HG3 GLU 46 HG2 GLU 46 18.584 -1.191 -6.153 351 H GLN 47 H GLN 47 13.906 -2.858 -5.643 352 HA GLN 47 HA GLN 47 13.710 -5.603 -6.245 353 HB2 GLN 47 HB3 GLN 47 13.271 -4.706 -4.017 354 HB3 GLN 47 HB2 GLN 47 11.901 -3.777 -4.618 355 HG2 GLN 47 HG3 GLN 47 10.718 -5.917 -5.123 356 HG3 GLN 47 HG2 GLN 47 12.080 -6.799 -4.428 357 HE21 GLN 47 HE21 GLN 47 9.432 -4.609 -3.705 358 HE22 GLN 47 HE22 GLN 47 9.402 -4.930 -2.012 359 H VAL 48 H VAL 48 11.350 -2.974 -6.830 360 HA VAL 48 HA VAL 48 9.334 -4.523 -8.090 361 HB VAL 48 HB VAL 48 9.882 -1.520 -8.159 362 HG11 VAL 48 HG11 VAL 48 7.412 -3.005 -9.130 363 HG12 VAL 48 HG12 VAL 48 8.550 -2.103 -10.136 364 HG13 VAL 48 HG13 VAL 48 7.541 -1.251 -8.966 365 HG21 VAL 48 HG21 VAL 48 8.035 -1.389 -6.499 366 HG22 VAL 48 HG22 VAL 48 9.352 -2.404 -5.909 367 HG23 VAL 48 HG23 VAL 48 7.880 -3.149 -6.534 368 H LEU 49 H LEU 49 11.829 -2.379 -9.495 369 HA LEU 49 HA LEU 49 11.133 -2.952 -12.229 370 HB2 LEU 49 HB3 LEU 49 13.546 -1.501 -11.083 371 HB3 LEU 49 HB2 LEU 49 13.129 -1.556 -12.792 372 HG LEU 49 HG LEU 49 11.484 -0.237 -10.586 373 HD11 LEU 49 HD11 LEU 49 13.005 1.025 -12.888 374 HD12 LEU 49 HD12 LEU 49 13.481 1.051 -11.186 375 HD13 LEU 49 HD13 LEU 49 12.005 1.869 -11.697 376 HD21 LEU 49 HD21 LEU 49 9.998 0.562 -12.374 377 HD22 LEU 49 HD22 LEU 49 9.998 -1.195 -12.278 378 HD23 LEU 49 HD23 LEU 49 10.899 -0.386 -13.565 379 H SER 50 H SER 50 12.815 -4.828 -10.019 380 HA SER 50 HA SER 50 14.786 -6.027 -11.750 381 HB2 SER 50 HB3 SER 50 14.945 -6.143 -9.264 382 HB3 SER 50 HB2 SER 50 13.510 -7.164 -9.211 383 HG SER 50 HG SER 50 16.077 -7.846 -9.657 384 H ASP 51 H ASP 51 11.354 -6.299 -11.593 385 HA ASP 51 HA ASP 51 11.118 -8.999 -12.596 386 HB2 ASP 51 HB3 ASP 51 9.357 -7.527 -11.247 387 HB3 ASP 51 HB2 ASP 51 8.884 -6.959 -12.841 388 HA PRO 52 HA PRO 52 12.319 -7.363 -16.721 389 HB2 PRO 52 HB3 PRO 52 12.742 -9.738 -18.000 390 HB3 PRO 52 HB2 PRO 52 13.866 -9.097 -16.795 391 HG2 PRO 52 HG3 PRO 52 11.700 -11.166 -16.438 392 HG3 PRO 52 HG2 PRO 52 13.387 -11.218 -15.882 393 HD2 PRO 52 HD3 PRO 52 11.347 -10.512 -14.224 394 HD3 PRO 52 HD2 PRO 52 12.969 -9.807 -14.065 395 H ASN 53 H ASN 53 9.531 -9.328 -16.052 396 HA ASN 53 HA ASN 53 8.420 -8.934 -18.792 397 HB2 ASN 53 HB3 ASN 53 7.726 -11.057 -16.710 398 HB3 ASN 53 HB2 ASN 53 6.910 -10.861 -18.259 399 HD21 ASN 53 HD21 ASN 53 9.887 -11.832 -16.711 400 HD22 ASN 53 HD22 ASN 53 10.546 -12.658 -18.071 401 H LEU 54 H LEU 54 8.155 -7.946 -15.554 402 HA LEU 54 HA LEU 54 6.650 -6.955 -14.207 403 HB2 LEU 54 HB3 LEU 54 5.468 -6.060 -16.855 404 HB3 LEU 54 HB2 LEU 54 4.889 -5.477 -15.306 405 HG LEU 54 HG LEU 54 7.225 -4.579 -14.864 406 HD11 LEU 54 HD11 LEU 54 8.533 -5.901 -16.425 407 HD12 LEU 54 HD12 LEU 54 8.754 -4.177 -16.720 408 HD13 LEU 54 HD13 LEU 54 7.721 -5.128 -17.791 409 HD21 LEU 54 HD21 LEU 54 5.389 -3.104 -15.539 410 HD22 LEU 54 HD22 LEU 54 5.760 -3.394 -17.241 411 HD23 LEU 54 HD23 LEU 54 6.921 -2.550 -16.213 412 H VAL 55 H VAL 55 6.171 -9.736 -15.098 413 HA VAL 55 HA VAL 55 3.302 -10.077 -15.429 414 HB VAL 55 HB VAL 55 4.910 -11.412 -16.801 415 HG11 VAL 55 HG11 VAL 55 6.145 -13.320 -15.841 416 HG12 VAL 55 HG12 VAL 55 5.616 -12.860 -14.222 417 HG13 VAL 55 HG13 VAL 55 6.685 -11.793 -15.134 418 HG21 VAL 55 HG21 VAL 55 3.739 -13.586 -16.624 419 HG22 VAL 55 HG22 VAL 55 2.612 -12.231 -16.504 420 HG23 VAL 55 HG23 VAL 55 3.093 -13.107 -15.050 421 H ILE 56 H ILE 56 5.712 -10.483 -12.879 422 HA ILE 56 HA ILE 56 3.796 -11.813 -11.074 423 HB ILE 56 HB ILE 56 6.649 -10.973 -10.369 424 HG12 ILE 56 HG12 ILE 56 5.776 -13.619 -11.621 425 HG13 ILE 56 HG11 ILE 56 6.712 -12.372 -12.437 426 HG21 ILE 56 HG21 ILE 56 4.880 -13.172 -9.223 427 HG22 ILE 56 HG22 ILE 56 5.248 -11.633 -8.443 428 HG23 ILE 56 HG23 ILE 56 6.531 -12.808 -8.715 429 HD11 ILE 56 HD11 ILE 56 8.559 -12.741 -10.860 430 HD12 ILE 56 HD12 ILE 56 8.127 -14.201 -11.749 431 HD13 ILE 56 HD13 ILE 56 7.622 -14.015 -10.071 432 H ARG 57 H ARG 57 3.599 -8.994 -12.118 433 HA ARG 57 HA ARG 57 3.704 -6.898 -10.413 434 HB2 ARG 57 HB3 ARG 57 2.839 -6.782 -12.678 435 HB3 ARG 57 HB2 ARG 57 1.467 -7.804 -12.268 436 HG2 ARG 57 HG3 ARG 57 0.539 -5.999 -10.861 437 HG3 ARG 57 HG2 ARG 57 1.928 -4.980 -11.253 438 HD2 ARG 57 HD3 ARG 57 -0.091 -6.061 -13.255 439 HD3 ARG 57 HD2 ARG 57 -0.036 -4.407 -12.637 440 HE ARG 57 HE ARG 57 2.432 -4.698 -13.661 441 HH11 ARG 57 HH11 ARG 57 -0.658 -5.313 -15.103 442 HH12 ARG 57 HH12 ARG 57 -0.090 -4.933 -16.688 443 HH21 ARG 57 HH21 ARG 57 3.100 -4.179 -15.675 444 HH22 ARG 57 HH22 ARG 57 2.001 -4.291 -17.008 445 H LYS 58 H LYS 58 1.277 -9.502 -10.254 446 HA LYS 58 HA LYS 58 -0.408 -8.442 -8.263 447 HB2 LYS 58 HB3 LYS 58 -1.266 -10.741 -8.001 448 HB3 LYS 58 HB2 LYS 58 -1.109 -10.283 -9.693 449 HG2 LYS 58 HG3 LYS 58 1.034 -11.571 -9.812 450 HG3 LYS 58 HG2 LYS 58 0.784 -12.082 -8.141 451 HD2 LYS 58 HD3 LYS 58 0.076 -13.847 -9.694 452 HD3 LYS 58 HD2 LYS 58 -1.316 -13.223 -8.805 453 HE2 LYS 58 HE3 LYS 58 -2.027 -11.920 -10.745 454 HE3 LYS 58 HE2 LYS 58 -0.559 -12.359 -11.623 455 HZ1 LYS 58 HZ1 LYS 58 -2.638 -14.272 -10.731 456 HZ2 LYS 58 HZ2 LYS 58 -1.268 -14.637 -11.653 457 HZ3 LYS 58 HZ3 LYS 58 -2.484 -13.658 -12.292 458 H ARG 59 H ARG 59 2.656 -10.108 -7.943 459 HA ARG 59 HA ARG 59 2.459 -10.234 -5.015 460 HB2 ARG 59 HB3 ARG 59 3.515 -12.096 -6.255 461 HB3 ARG 59 HB2 ARG 59 4.715 -10.990 -6.909 462 HG2 ARG 59 HG3 ARG 59 5.656 -10.629 -4.675 463 HG3 ARG 59 HG2 ARG 59 4.403 -11.650 -3.958 464 HD2 ARG 59 HD3 ARG 59 5.245 -13.584 -5.243 465 HD3 ARG 59 HD2 ARG 59 6.492 -12.562 -5.963 466 HE ARG 59 HE ARG 59 7.174 -12.228 -3.490 467 HH11 ARG 59 HH11 ARG 59 5.920 -15.201 -4.732 468 HH12 ARG 59 HH12 ARG 59 6.888 -16.167 -3.682 469 HH21 ARG 59 HH21 ARG 59 8.408 -13.479 -2.167 470 HH22 ARG 59 HH22 ARG 59 8.279 -15.200 -2.240 471 H LYS 60 H LYS 60 4.128 -8.398 -7.569 472 HA LYS 60 HA LYS 60 5.994 -6.984 -6.022 473 HB2 LYS 60 HB3 LYS 60 4.658 -6.308 -8.660 474 HB3 LYS 60 HB2 LYS 60 5.858 -5.237 -7.941 475 HG2 LYS 60 HG3 LYS 60 6.331 -8.130 -8.747 476 HG3 LYS 60 HG2 LYS 60 6.853 -6.699 -9.648 477 HD2 LYS 60 HD3 LYS 60 8.220 -6.017 -7.620 478 HD3 LYS 60 HD2 LYS 60 7.792 -7.561 -6.877 479 HE2 LYS 60 HE3 LYS 60 9.362 -7.192 -9.453 480 HE3 LYS 60 HE2 LYS 60 10.024 -7.660 -7.886 481 HZ1 LYS 60 HZ1 LYS 60 8.154 -9.223 -9.574 482 HZ2 LYS 60 HZ2 LYS 60 8.584 -9.656 -8.000 483 HZ3 LYS 60 HZ3 LYS 60 9.760 -9.596 -9.210 484 H VAL 61 H VAL 61 2.664 -5.959 -6.929 485 HA VAL 61 HA VAL 61 2.742 -3.522 -5.433 486 HB VAL 61 HB VAL 61 0.228 -5.023 -6.249 487 HG11 VAL 61 HG11 VAL 61 -0.219 -3.225 -4.621 488 HG12 VAL 61 HG12 VAL 61 -0.879 -2.803 -6.203 489 HG13 VAL 61 HG13 VAL 61 0.628 -2.065 -5.649 490 HG21 VAL 61 HG21 VAL 61 1.629 -4.688 -8.225 491 HG22 VAL 61 HG22 VAL 61 1.769 -2.968 -7.854 492 HG23 VAL 61 HG23 VAL 61 0.202 -3.651 -8.297 493 H GLY 62 H GLY 62 1.696 -6.834 -4.662 494 HA2 GLY 62 HA3 GLY 62 0.458 -6.436 -2.174 495 HA3 GLY 62 HA2 GLY 62 1.309 -7.895 -2.653 496 H VAL 63 H VAL 63 3.894 -6.965 -2.898 497 HA VAL 63 HA VAL 63 4.852 -6.660 -0.214 498 HB VAL 63 HB VAL 63 6.383 -6.406 -2.845 499 HG11 VAL 63 HG11 VAL 63 7.633 -5.385 -0.986 500 HG12 VAL 63 HG12 VAL 63 8.414 -6.878 -1.506 501 HG13 VAL 63 HG13 VAL 63 7.448 -6.860 -0.029 502 HG21 VAL 63 HG21 VAL 63 6.044 -8.851 -1.058 503 HG22 VAL 63 HG22 VAL 63 7.050 -8.766 -2.508 504 HG23 VAL 63 HG23 VAL 63 5.297 -8.617 -2.641 505 H LEU 64 H LEU 64 4.504 -4.493 -3.021 506 HA LEU 64 HA LEU 64 5.835 -2.200 -2.179 507 HB2 LEU 64 HB3 LEU 64 4.970 -2.469 -4.461 508 HB3 LEU 64 HB2 LEU 64 3.321 -2.434 -3.867 509 HG LEU 64 HG LEU 64 3.728 -0.023 -3.123 510 HD11 LEU 64 HD11 LEU 64 6.252 -0.287 -4.774 511 HD12 LEU 64 HD12 LEU 64 6.161 -0.058 -3.024 512 HD13 LEU 64 HD13 LEU 64 5.591 1.208 -4.106 513 HD21 LEU 64 HD21 LEU 64 3.948 -0.569 -6.101 514 HD22 LEU 64 HD22 LEU 64 3.415 0.940 -5.357 515 HD23 LEU 64 HD23 LEU 64 2.456 -0.525 -5.158 516 H LEU 65 H LEU 65 2.399 -3.058 -1.578 517 HA LEU 65 HA LEU 65 1.594 -0.659 -0.304 518 HB2 LEU 65 HB3 LEU 65 0.478 -3.479 0.036 519 HB3 LEU 65 HB2 LEU 65 -0.332 -2.009 0.565 520 HG LEU 65 HG LEU 65 0.237 -2.831 -2.311 521 HD11 LEU 65 HD11 LEU 65 -2.206 -2.918 -2.551 522 HD12 LEU 65 HD12 LEU 65 -2.397 -2.550 -0.834 523 HD13 LEU 65 HD13 LEU 65 -1.623 -4.056 -1.337 524 HD21 LEU 65 HD21 LEU 65 -0.947 -0.797 -3.006 525 HD22 LEU 65 HD22 LEU 65 0.520 -0.417 -2.110 526 HD23 LEU 65 HD23 LEU 65 -1.055 -0.272 -1.323 527 H ASP 66 H ASP 66 2.859 -3.683 0.984 528 HA ASP 66 HA ASP 66 2.741 -3.152 3.753 529 HB2 ASP 66 HB3 ASP 66 3.012 -5.413 2.727 530 HB3 ASP 66 HB2 ASP 66 4.635 -4.972 2.199 531 H ILE 67 H ILE 67 5.175 -2.412 1.295 532 HA ILE 67 HA ILE 67 7.156 -1.294 3.061 533 HB ILE 67 HB ILE 67 6.813 -0.978 0.051 534 HG12 ILE 67 HG12 ILE 67 8.694 -2.810 1.604 535 HG13 ILE 67 HG11 ILE 67 7.228 -3.335 0.787 536 HG21 ILE 67 HG21 ILE 67 9.201 -0.259 1.783 537 HG22 ILE 67 HG22 ILE 67 8.137 0.880 0.956 538 HG23 ILE 67 HG23 ILE 67 9.161 -0.205 0.021 539 HD11 ILE 67 HD11 ILE 67 9.180 -3.868 -0.524 540 HD12 ILE 67 HD12 ILE 67 9.679 -2.177 -0.537 541 HD13 ILE 67 HD13 ILE 67 8.198 -2.669 -1.365 542 H LEU 68 H LEU 68 4.486 0.089 1.113 543 HA LEU 68 HA LEU 68 5.137 2.839 1.553 544 HB2 LEU 68 HB3 LEU 68 2.472 1.544 0.870 545 HB3 LEU 68 HB2 LEU 68 2.760 3.275 0.847 546 HG LEU 68 HG LEU 68 4.082 1.233 -0.985 547 HD11 LEU 68 HD11 LEU 68 1.929 3.281 -1.608 548 HD12 LEU 68 HD12 LEU 68 1.728 1.528 -1.530 549 HD13 LEU 68 HD13 LEU 68 2.744 2.236 -2.781 550 HD21 LEU 68 HD21 LEU 68 5.009 3.155 -2.206 551 HD22 LEU 68 HD22 LEU 68 5.604 3.095 -0.551 552 HD23 LEU 68 HD23 LEU 68 4.351 4.258 -0.992 553 H GLN 69 H GLN 69 3.205 0.457 3.306 554 HA GLN 69 HA GLN 69 2.079 2.003 5.355 555 HB2 GLN 69 HB3 GLN 69 1.542 -0.380 4.928 556 HB3 GLN 69 HB2 GLN 69 3.140 -0.849 5.496 557 HG2 GLN 69 HG3 GLN 69 2.589 -0.035 7.755 558 HG3 GLN 69 HG2 GLN 69 0.990 0.459 7.193 559 HE21 GLN 69 HE21 GLN 69 -0.576 -1.146 6.811 560 HE22 GLN 69 HE22 GLN 69 -0.366 -2.775 7.343 561 H ARG 70 H ARG 70 5.442 0.997 4.955 562 HA ARG 70 HA ARG 70 6.457 1.535 7.550 563 HB2 ARG 70 HB3 ARG 70 7.827 1.760 4.846 564 HB3 ARG 70 HB2 ARG 70 8.674 1.850 6.387 565 HG2 ARG 70 HG3 ARG 70 8.093 -0.448 6.906 566 HG3 ARG 70 HG2 ARG 70 7.078 -0.562 5.463 567 HD2 ARG 70 HD3 ARG 70 9.322 -1.644 5.208 568 HD3 ARG 70 HD2 ARG 70 9.011 -0.379 4.015 569 HE ARG 70 HE ARG 70 10.348 0.997 5.866 570 HH11 ARG 70 HH11 ARG 70 11.091 -2.103 4.541 571 HH12 ARG 70 HH12 ARG 70 12.794 -1.866 4.686 572 HH21 ARG 70 HH21 ARG 70 12.509 1.294 6.002 573 HH22 ARG 70 HH22 ARG 70 13.588 0.041 5.499 574 H THR 71 H THR 71 5.544 3.750 4.928 575 HA THR 71 HA THR 71 6.725 6.084 6.338 576 HB THR 71 HB THR 71 6.013 7.451 4.453 577 HG1 THR 71 HG1 THR 71 4.819 5.243 3.161 578 HG21 THR 71 HG21 THR 71 8.056 6.125 4.038 579 HG22 THR 71 HG22 THR 71 7.145 6.358 2.544 580 HG23 THR 71 HG23 THR 71 7.077 4.808 3.385 581 H GLY 72 H GLY 72 4.198 4.224 6.982 582 HA2 GLY 72 HA3 GLY 72 2.356 4.458 8.305 583 HA3 GLY 72 HA2 GLY 72 2.744 6.160 8.494 584 H HIS 73 H HIS 73 1.240 7.485 7.737 585 HA HIS 73 HA HIS 73 -0.908 6.518 6.023 586 HB2 HIS 73 HB2 HIS 73 -1.206 7.889 8.196 587 HB3 HIS 73 HB1 HIS 73 -0.687 9.289 7.268 588 HD2 HIS 73 HD2 HIS 73 -2.605 10.328 5.507 589 HE1 HIS 73 HE1 HIS 73 -5.646 7.623 6.631 590 HE2 HIS 73 HE2 HIS 73 -5.145 9.834 5.536 591 H LYS 74 H LYS 74 2.017 8.283 5.616 592 HA LYS 74 HA LYS 74 1.322 10.114 3.567 593 HB2 LYS 74 HB3 LYS 74 3.440 10.197 4.904 594 HB3 LYS 74 HB2 LYS 74 4.005 8.760 4.054 595 HG2 LYS 74 HG3 LYS 74 3.786 10.086 1.893 596 HG3 LYS 74 HG2 LYS 74 3.498 11.514 2.890 597 HD2 LYS 74 HD3 LYS 74 5.727 11.246 3.931 598 HD3 LYS 74 HD2 LYS 74 5.999 9.778 2.983 599 HE2 LYS 74 HE3 LYS 74 5.810 11.146 0.897 600 HE3 LYS 74 HE2 LYS 74 5.669 12.596 1.895 601 HZ1 LYS 74 HZ1 LYS 74 7.857 12.129 2.800 602 HZ2 LYS 74 HZ2 LYS 74 7.914 12.272 1.117 603 HZ3 LYS 74 HZ3 LYS 74 7.987 10.743 1.837 604 H GLY 75 H GLY 75 2.717 6.815 3.383 605 HA2 GLY 75 HA3 GLY 75 2.736 6.496 0.566 606 HA3 GLY 75 HA2 GLY 75 2.730 5.197 1.748 607 H TYR 76 H TYR 76 0.205 6.030 2.946 608 HA TYR 76 HA TYR 76 -1.707 4.654 1.369 609 HB2 TYR 76 HB2 TYR 76 -1.774 4.829 3.861 610 HB3 TYR 76 HB1 TYR 76 -2.151 6.540 3.729 611 HD1 TYR 76 HD1 TYR 76 -4.449 7.257 3.402 612 HD2 TYR 76 HD2 TYR 76 -3.442 3.122 3.012 613 HE1 TYR 76 HE1 TYR 76 -6.839 6.677 3.344 614 HE2 TYR 76 HE2 TYR 76 -5.824 2.553 2.960 615 HH TYR 76 HH TYR 76 -7.967 3.479 3.686 616 H VAL 77 H VAL 77 -1.254 8.132 2.067 617 HA VAL 77 HA VAL 77 -3.302 9.197 0.441 618 HB VAL 77 HB VAL 77 -0.638 10.481 1.223 619 HG11 VAL 77 HG11 VAL 77 -1.624 11.670 -0.697 620 HG12 VAL 77 HG12 VAL 77 -1.731 12.663 0.757 621 HG13 VAL 77 HG13 VAL 77 -3.162 11.818 0.163 622 HG21 VAL 77 HG21 VAL 77 -1.986 9.829 3.187 623 HG22 VAL 77 HG22 VAL 77 -3.369 10.721 2.551 624 HG23 VAL 77 HG23 VAL 77 -1.906 11.586 3.036 625 H ALA 78 H ALA 78 0.174 8.693 -0.254 626 HA ALA 78 HA ALA 78 0.214 9.579 -2.925 627 HB1 ALA 78 HB1 ALA 78 2.023 7.528 -1.613 628 HB2 ALA 78 HB2 ALA 78 2.252 9.277 -1.585 629 HB3 ALA 78 HB3 ALA 78 2.362 8.399 -3.112 630 H PHE 79 H PHE 79 -0.549 6.383 -1.564 631 HA PHE 79 HA PHE 79 -0.815 4.937 -3.989 632 HB2 PHE 79 HB2 PHE 79 -0.729 3.776 -1.820 633 HB3 PHE 79 HB1 PHE 79 -2.234 4.538 -1.319 634 HD1 PHE 79 HD1 PHE 79 -4.302 3.421 -1.735 635 HD2 PHE 79 HD2 PHE 79 -0.824 2.262 -3.940 636 HE1 PHE 79 HE1 PHE 79 -5.553 1.556 -2.740 637 HE2 PHE 79 HE2 PHE 79 -2.084 0.403 -4.931 638 HZ PHE 79 HZ PHE 79 -4.445 0.049 -4.338 639 H LEU 80 H LEU 80 -3.272 6.679 -2.015 640 HA LEU 80 HA LEU 80 -5.467 6.358 -3.766 641 HB2 LEU 80 HB3 LEU 80 -4.897 8.646 -1.848 642 HB3 LEU 80 HB2 LEU 80 -6.455 8.341 -2.608 643 HG LEU 80 HG LEU 80 -5.065 6.483 -0.634 644 HD11 LEU 80 HD11 LEU 80 -7.473 8.278 -0.238 645 HD12 LEU 80 HD12 LEU 80 -5.864 8.501 0.459 646 HD13 LEU 80 HD13 LEU 80 -6.839 7.113 0.930 647 HD21 LEU 80 HD21 LEU 80 -6.412 5.201 -2.229 648 HD22 LEU 80 HD22 LEU 80 -7.814 6.225 -1.906 649 HD23 LEU 80 HD23 LEU 80 -7.159 5.191 -0.633 650 H GLU 81 H GLU 81 -2.816 8.672 -3.827 651 HA GLU 81 HA GLU 81 -3.919 10.422 -5.825 652 HB2 GLU 81 HB3 GLU 81 -1.091 10.085 -4.772 653 HB3 GLU 81 HB2 GLU 81 -1.569 11.337 -5.915 654 HG2 GLU 81 HG3 GLU 81 -3.147 12.241 -4.223 655 HG3 GLU 81 HG2 GLU 81 -2.571 11.026 -3.075 656 H SER 82 H SER 82 -1.701 7.601 -5.900 657 HA SER 82 HA SER 82 -1.042 7.777 -8.682 658 HB2 SER 82 HB3 SER 82 -0.162 5.517 -8.516 659 HB3 SER 82 HB2 SER 82 0.245 6.356 -7.017 660 HG SER 82 HG SER 82 -1.190 5.148 -5.939 661 H LEU 83 H LEU 83 -3.664 6.191 -6.903 662 HA LEU 83 HA LEU 83 -5.054 5.057 -9.102 663 HB2 LEU 83 HB3 LEU 83 -6.114 6.142 -6.465 664 HB3 LEU 83 HB2 LEU 83 -7.070 5.201 -7.599 665 HG LEU 83 HG LEU 83 -4.618 4.181 -6.116 666 HD11 LEU 83 HD11 LEU 83 -7.555 3.603 -5.625 667 HD12 LEU 83 HD12 LEU 83 -6.482 4.544 -4.583 668 HD13 LEU 83 HD13 LEU 83 -6.193 2.821 -4.815 669 HD21 LEU 83 HD21 LEU 83 -5.270 1.968 -6.977 670 HD22 LEU 83 HD22 LEU 83 -4.863 3.078 -8.282 671 HD23 LEU 83 HD23 LEU 83 -6.556 2.711 -7.934 672 H GLU 84 H GLU 84 -5.502 8.196 -7.435 673 HA GLU 84 HA GLU 84 -7.561 9.292 -8.963 674 HB2 GLU 84 HB3 GLU 84 -6.799 10.217 -6.814 675 HB3 GLU 84 HB2 GLU 84 -5.250 10.662 -7.521 676 HG2 GLU 84 HG3 GLU 84 -6.633 12.630 -7.240 677 HG3 GLU 84 HG2 GLU 84 -6.393 12.317 -8.959 678 H LEU 85 H LEU 85 -4.072 9.324 -9.584 679 HA LEU 85 HA LEU 85 -4.243 11.161 -11.833 680 HB2 LEU 85 HB3 LEU 85 -2.333 10.893 -10.049 681 HB3 LEU 85 HB2 LEU 85 -1.783 9.568 -11.049 682 HG LEU 85 HG LEU 85 -2.029 12.461 -11.989 683 HD11 LEU 85 HD11 LEU 85 0.466 10.955 -11.157 684 HD12 LEU 85 HD12 LEU 85 -0.316 12.258 -10.258 685 HD13 LEU 85 HD13 LEU 85 0.409 12.590 -11.829 686 HD21 LEU 85 HD21 LEU 85 -2.184 10.908 -13.880 687 HD22 LEU 85 HD22 LEU 85 -0.697 10.104 -13.374 688 HD23 LEU 85 HD23 LEU 85 -0.654 11.783 -13.925 689 H TYR 86 H TYR 86 -3.281 7.699 -11.425 690 HA TYR 86 HA TYR 86 -2.977 7.432 -14.350 691 HB2 TYR 86 HB2 TYR 86 -2.113 5.538 -12.120 692 HB3 TYR 86 HB1 TYR 86 -1.717 5.360 -13.827 693 HD1 TYR 86 HD1 TYR 86 -0.847 7.042 -10.707 694 HD2 TYR 86 HD2 TYR 86 -0.124 6.991 -14.919 695 HE1 TYR 86 HE1 TYR 86 1.174 8.386 -10.372 696 HE2 TYR 86 HE2 TYR 86 1.904 8.336 -14.576 697 HH TYR 86 HH TYR 86 2.779 9.928 -12.900 698 H TYR 87 H TYR 87 -5.013 6.199 -11.749 699 HA TYR 87 HA TYR 87 -6.419 4.361 -13.640 700 HB2 TYR 87 HB2 TYR 87 -6.017 3.749 -10.675 701 HB3 TYR 87 HB1 TYR 87 -6.592 2.660 -11.923 702 HD1 TYR 87 HD1 TYR 87 -3.651 4.053 -10.268 703 HD2 TYR 87 HD2 TYR 87 -4.949 1.650 -13.562 704 HE1 TYR 87 HE1 TYR 87 -1.362 3.208 -10.549 705 HE2 TYR 87 HE2 TYR 87 -2.655 0.805 -13.840 706 HH TYR 87 HH TYR 87 -0.176 1.350 -11.511 707 HA PRO 88 HA PRO 88 -9.041 7.709 -11.255 708 HB2 PRO 88 HB3 PRO 88 -10.367 7.944 -13.958 709 HB3 PRO 88 HB2 PRO 88 -9.913 9.214 -12.810 710 HG2 PRO 88 HG3 PRO 88 -8.423 8.823 -14.969 711 HG3 PRO 88 HG2 PRO 88 -7.629 9.118 -13.404 712 HD2 PRO 88 HD3 PRO 88 -8.034 6.494 -14.859 713 HD3 PRO 88 HD2 PRO 88 -6.593 7.107 -14.015 714 H GLN 89 H GLN 89 -10.377 5.404 -13.649 715 HA GLN 89 HA GLN 89 -12.933 5.086 -12.486 716 HB2 GLN 89 HB3 GLN 89 -13.044 2.943 -13.863 717 HB3 GLN 89 HB2 GLN 89 -12.720 4.425 -14.749 718 HG2 GLN 89 HG3 GLN 89 -11.286 2.854 -15.741 719 HG3 GLN 89 HG2 GLN 89 -10.228 3.749 -14.653 720 HE21 GLN 89 HE21 GLN 89 -8.720 2.054 -14.562 721 HE22 GLN 89 HE22 GLN 89 -9.035 0.576 -13.726 722 H LEU 90 H LEU 90 -9.885 3.437 -11.855 723 HA LEU 90 HA LEU 90 -10.957 1.400 -10.129 724 HB2 LEU 90 HB3 LEU 90 -8.869 1.059 -11.391 725 HB3 LEU 90 HB2 LEU 90 -8.111 2.386 -10.529 726 HG LEU 90 HG LEU 90 -8.219 1.093 -8.411 727 HD11 LEU 90 HD11 LEU 90 -8.828 -1.279 -8.394 728 HD12 LEU 90 HD12 LEU 90 -9.357 -1.172 -10.076 729 HD13 LEU 90 HD13 LEU 90 -10.205 -0.262 -8.819 730 HD21 LEU 90 HD21 LEU 90 -6.490 -0.548 -8.934 731 HD22 LEU 90 HD22 LEU 90 -6.206 0.960 -9.801 732 HD23 LEU 90 HD23 LEU 90 -6.872 -0.435 -10.656 733 H TYR 91 H TYR 91 -9.512 4.615 -9.651 734 HA TYR 91 HA TYR 91 -9.200 4.736 -6.888 735 HB2 TYR 91 HB2 TYR 91 -8.457 6.552 -8.369 736 HB3 TYR 91 HB1 TYR 91 -10.116 6.930 -8.811 737 HD1 TYR 91 HD1 TYR 91 -7.812 6.825 -5.847 738 HD2 TYR 91 HD2 TYR 91 -11.298 8.599 -7.571 739 HE1 TYR 91 HE1 TYR 91 -7.907 8.431 -3.998 740 HE2 TYR 91 HE2 TYR 91 -11.391 10.210 -5.717 741 HH TYR 91 HH TYR 91 -10.589 10.319 -3.328 742 H LYS 92 H LYS 92 -12.078 5.595 -8.804 743 HA LYS 92 HA LYS 92 -13.905 6.079 -6.721 744 HB2 LYS 92 HB3 LYS 92 -14.408 5.092 -9.556 745 HB3 LYS 92 HB2 LYS 92 -15.658 5.721 -8.482 746 HG2 LYS 92 HG3 LYS 92 -14.515 7.908 -8.427 747 HG3 LYS 92 HG2 LYS 92 -13.256 7.288 -9.497 748 HD2 LYS 92 HD3 LYS 92 -16.210 7.527 -10.209 749 HD3 LYS 92 HD2 LYS 92 -14.954 8.670 -10.689 750 HE2 LYS 92 HE3 LYS 92 -13.808 6.839 -11.939 751 HE3 LYS 92 HE2 LYS 92 -15.124 5.746 -11.503 752 HZ1 LYS 92 HZ1 LYS 92 -16.651 7.131 -12.722 753 HZ2 LYS 92 HZ2 LYS 92 -15.371 6.674 -13.724 754 HZ3 LYS 92 HZ3 LYS 92 -15.426 8.236 -13.088 755 H LYS 93 H LYS 93 -13.079 3.061 -8.394 756 HA LYS 93 HA LYS 93 -15.044 1.353 -7.301 757 HB2 LYS 93 HB3 LYS 93 -13.723 0.759 -9.281 758 HB3 LYS 93 HB2 LYS 93 -12.244 0.738 -8.325 759 HG2 LYS 93 HG3 LYS 93 -13.130 -1.204 -7.040 760 HG3 LYS 93 HG2 LYS 93 -14.576 -1.194 -8.061 761 HD2 LYS 93 HD3 LYS 93 -13.207 -1.666 -10.047 762 HD3 LYS 93 HD2 LYS 93 -11.731 -1.587 -9.081 763 HE2 LYS 93 HE3 LYS 93 -12.325 -3.911 -9.490 764 HE3 LYS 93 HE2 LYS 93 -12.522 -3.553 -7.772 765 HZ1 LYS 93 HZ1 LYS 93 -14.373 -4.825 -8.575 766 HZ2 LYS 93 HZ2 LYS 93 -14.682 -3.707 -9.802 767 HZ3 LYS 93 HZ3 LYS 93 -14.908 -3.270 -8.188 768 H VAL 94 H VAL 94 -11.791 2.217 -6.107 769 HA VAL 94 HA VAL 94 -11.702 0.377 -3.912 770 HB VAL 94 HB VAL 94 -10.137 2.972 -4.295 771 HG11 VAL 94 HG11 VAL 94 -9.569 0.630 -2.436 772 HG12 VAL 94 HG12 VAL 94 -10.064 2.252 -1.944 773 HG13 VAL 94 HG13 VAL 94 -8.490 2.004 -2.702 774 HG21 VAL 94 HG21 VAL 94 -9.773 1.399 -6.152 775 HG22 VAL 94 HG22 VAL 94 -9.359 0.124 -5.009 776 HG23 VAL 94 HG23 VAL 94 -8.321 1.542 -5.161 777 H THR 95 H THR 95 -12.514 3.853 -4.125 778 HA THR 95 HA THR 95 -12.941 4.128 -1.266 779 HB THR 95 HB THR 95 -11.994 6.021 -2.499 780 HG1 THR 95 HG1 THR 95 -13.470 6.364 -0.645 781 HG21 THR 95 HG21 THR 95 -13.325 7.377 -4.072 782 HG22 THR 95 HG22 THR 95 -14.646 6.213 -3.960 783 HG23 THR 95 HG23 THR 95 -13.112 5.733 -4.680 784 H GLY 96 H GLY 96 -14.949 3.066 -3.831 785 HA2 GLY 96 HA3 GLY 96 -17.008 1.961 -3.300 786 HA3 GLY 96 HA2 GLY 96 -17.306 3.116 -2.019 787 H LYS 97 H LYS 97 -16.298 4.919 -4.598 788 HA LYS 97 HA LYS 97 -19.065 5.643 -5.339 789 HB2 LYS 97 HB3 LYS 97 -16.439 7.175 -5.642 790 HB3 LYS 97 HB2 LYS 97 -17.982 7.743 -6.263 791 HG2 LYS 97 HG3 LYS 97 -17.599 8.913 -4.219 792 HG3 LYS 97 HG2 LYS 97 -18.867 7.730 -3.889 793 HD2 LYS 97 HD3 LYS 97 -17.106 6.223 -2.891 794 HD3 LYS 97 HD2 LYS 97 -15.925 7.510 -3.127 795 HE2 LYS 97 HE3 LYS 97 -17.190 8.959 -1.590 796 HE3 LYS 97 HE2 LYS 97 -18.402 7.691 -1.377 797 HZ1 LYS 97 HZ1 LYS 97 -16.659 6.264 -0.470 798 HZ2 LYS 97 HZ2 LYS 97 -16.843 7.675 0.437 799 HZ3 LYS 97 HZ3 LYS 97 -15.534 7.517 -0.621 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 4.654 -11.088 17.150 2 H2 MET 1 HT2 MET 1 3.035 -11.136 16.669 3 H3 MET 1 HT3 MET 1 3.432 -11.246 18.308 4 HA MET 1 HA MET 1 3.905 -8.900 16.560 5 HB2 MET 1 HB2 MET 1 1.911 -9.194 18.852 6 HB3 MET 1 HB1 MET 1 2.132 -7.768 17.845 7 HG2 MET 1 HG2 MET 1 0.131 -8.882 17.151 8 HG3 MET 1 HG1 MET 1 1.336 -9.113 15.886 9 HE1 MET 1 HE1 MET 1 -0.581 -10.822 18.907 10 HE2 MET 1 HE2 MET 1 1.108 -11.038 19.368 11 HE3 MET 1 HE3 MET 1 0.136 -12.433 18.901 12 H SER 2 H SER 2 5.118 -7.248 17.472 13 HA SER 2 HA SER 2 6.266 -7.653 20.186 14 HB2 SER 2 HB3 SER 2 7.457 -6.204 17.781 15 HB3 SER 2 HB2 SER 2 8.189 -6.243 19.387 16 HG SER 2 HG SER 2 8.867 -8.199 19.024 17 H ASP 3 H ASP 3 7.073 -5.435 21.113 18 HA ASP 3 HA ASP 3 4.875 -3.708 21.580 19 HB2 ASP 3 HB3 ASP 3 6.515 -2.298 22.811 20 HB3 ASP 3 HB2 ASP 3 6.651 -4.000 23.236 21 H TYR 4 H TYR 4 7.585 -3.485 19.302 22 HA TYR 4 HA TYR 4 6.993 -0.855 18.325 23 HB2 TYR 4 HB2 TYR 4 9.237 -1.869 18.033 24 HB3 TYR 4 HB1 TYR 4 8.558 -3.108 16.983 25 HD1 TYR 4 HD1 TYR 4 8.372 -2.683 14.611 26 HD2 TYR 4 HD2 TYR 4 9.059 0.600 17.262 27 HE1 TYR 4 HE1 TYR 4 8.727 -1.203 12.681 28 HE2 TYR 4 HE2 TYR 4 9.421 2.078 15.328 29 HH TYR 4 HH TYR 4 10.068 1.912 12.956 30 H GLU 5 H GLU 5 4.872 -0.657 17.767 31 HA GLU 5 HA GLU 5 3.603 -2.478 15.836 32 HB2 GLU 5 HB3 GLU 5 1.520 -1.234 16.395 33 HB3 GLU 5 HB2 GLU 5 2.296 -1.917 17.820 34 HG2 GLU 5 HG3 GLU 5 3.279 0.358 18.293 35 HG3 GLU 5 HG2 GLU 5 2.319 0.998 16.962 36 H ASN 6 H ASN 6 2.486 -1.595 13.966 37 HA ASN 6 HA ASN 6 3.561 0.952 12.893 38 HB2 ASN 6 HB3 ASN 6 3.514 -0.153 10.602 39 HB3 ASN 6 HB2 ASN 6 4.750 -0.756 11.694 40 HD21 ASN 6 HD21 ASN 6 1.279 -1.710 11.573 41 HD22 ASN 6 HD22 ASN 6 1.598 -3.348 11.160 42 H ASP 7 H ASP 7 2.190 1.483 10.763 43 HA ASP 7 HA ASP 7 -0.600 1.737 11.552 44 HB2 ASP 7 HB3 ASP 7 0.752 3.596 10.526 45 HB3 ASP 7 HB2 ASP 7 0.776 2.702 9.021 46 H ASP 8 H ASP 8 -1.489 -0.308 11.379 47 HA ASP 8 HA ASP 8 -1.348 -1.923 8.992 48 HB2 ASP 8 HB3 ASP 8 -3.267 -2.180 11.348 49 HB3 ASP 8 HB2 ASP 8 -2.883 -3.426 10.160 50 H GLU 9 H GLU 9 -3.543 0.426 10.425 51 HA GLU 9 HA GLU 9 -5.993 -0.331 9.432 52 HB2 GLU 9 HB3 GLU 9 -5.646 1.341 11.218 53 HB3 GLU 9 HB2 GLU 9 -5.073 2.508 10.034 54 HG2 GLU 9 HG3 GLU 9 -7.356 3.035 10.643 55 HG3 GLU 9 HG2 GLU 9 -7.323 2.502 8.965 56 H CYS 10 H CYS 10 -3.903 2.177 7.933 57 HA CYS 10 HA CYS 10 -5.620 3.044 5.912 58 HB2 CYS 10 HB3 CYS 10 -2.583 2.914 5.859 59 HB3 CYS 10 HB2 CYS 10 -3.576 3.871 4.755 60 H TRP 11 H TRP 11 -3.243 0.423 5.735 61 HA TRP 11 HA TRP 11 -3.927 -0.256 2.976 62 HB2 TRP 11 HB2 TRP 11 -1.893 -1.542 4.847 63 HB3 TRP 11 HB1 TRP 11 -1.998 -1.762 3.098 64 HD1 TRP 11 HD1 TRP 11 -0.696 0.664 5.735 65 HE1 TRP 11 HE1 TRP 11 0.625 2.548 4.600 66 HE3 TRP 11 HE3 TRP 11 -1.834 -0.348 0.847 67 HZ2 TRP 11 HZ2 TRP 11 1.111 3.498 2.008 68 HZ3 TRP 11 HZ3 TRP 11 -0.910 1.115 -0.902 69 HH2 TRP 11 HH2 TRP 11 0.536 3.001 -0.334 70 H SER 12 H SER 12 -4.903 -1.196 6.124 71 HA SER 12 HA SER 12 -5.899 -3.850 5.446 72 HB2 SER 12 HB3 SER 12 -5.182 -3.312 7.761 73 HB3 SER 12 HB2 SER 12 -6.468 -2.115 7.891 74 HG SER 12 HG SER 12 -7.084 -4.090 8.831 75 H VAL 13 H VAL 13 -7.172 -0.560 5.477 76 HA VAL 13 HA VAL 13 -9.902 -1.142 4.868 77 HB VAL 13 HB VAL 13 -8.228 1.269 3.983 78 HG11 VAL 13 HG11 VAL 13 -10.291 1.103 2.641 79 HG12 VAL 13 HG12 VAL 13 -10.390 2.479 3.738 80 HG13 VAL 13 HG13 VAL 13 -11.264 0.990 4.109 81 HG21 VAL 13 HG21 VAL 13 -8.244 1.055 6.434 82 HG22 VAL 13 HG22 VAL 13 -10.004 0.962 6.439 83 HG23 VAL 13 HG23 VAL 13 -9.200 2.451 5.935 84 H LEU 14 H LEU 14 -6.953 -1.275 3.040 85 HA LEU 14 HA LEU 14 -8.222 -1.595 0.424 86 HB2 LEU 14 HB3 LEU 14 -5.283 -1.797 1.171 87 HB3 LEU 14 HB2 LEU 14 -5.948 -1.646 -0.451 88 HG LEU 14 HG LEU 14 -6.009 0.491 1.715 89 HD11 LEU 14 HD11 LEU 14 -3.788 0.172 0.758 90 HD12 LEU 14 HD12 LEU 14 -4.466 1.724 0.282 91 HD13 LEU 14 HD13 LEU 14 -4.436 0.386 -0.871 92 HD21 LEU 14 HD21 LEU 14 -6.939 1.994 -0.008 93 HD22 LEU 14 HD22 LEU 14 -8.030 0.661 0.354 94 HD23 LEU 14 HD23 LEU 14 -7.071 0.635 -1.130 95 H GLU 15 H GLU 15 -7.567 -3.679 3.003 96 HA GLU 15 HA GLU 15 -6.177 -5.878 2.045 97 HB2 GLU 15 HB3 GLU 15 -6.858 -5.537 4.404 98 HB3 GLU 15 HB2 GLU 15 -8.529 -5.870 3.990 99 HG2 GLU 15 HG3 GLU 15 -7.592 -7.807 5.080 100 HG3 GLU 15 HG2 GLU 15 -7.891 -8.200 3.386 101 H GLY 16 H GLY 16 -9.759 -5.684 2.140 102 HA2 GLY 16 HA3 GLY 16 -10.274 -7.968 0.530 103 HA3 GLY 16 HA2 GLY 16 -11.425 -6.710 0.944 104 H PHE 17 H PHE 17 -9.162 -4.892 -0.439 105 HA PHE 17 HA PHE 17 -10.199 -5.158 -3.199 106 HB2 PHE 17 HB2 PHE 17 -8.781 -2.831 -1.816 107 HB3 PHE 17 HB1 PHE 17 -9.298 -2.824 -3.497 108 HD1 PHE 17 HD1 PHE 17 -11.763 -2.915 -4.038 109 HD2 PHE 17 HD2 PHE 17 -10.333 -2.290 -0.052 110 HE1 PHE 17 HE1 PHE 17 -13.957 -2.016 -3.388 111 HE2 PHE 17 HE2 PHE 17 -12.538 -1.392 0.590 112 HZ PHE 17 HZ PHE 17 -14.351 -1.259 -1.078 113 H ARG 18 H ARG 18 -7.431 -6.016 -1.364 114 HA ARG 18 HA ARG 18 -5.371 -4.827 -2.918 115 HB2 ARG 18 HB3 ARG 18 -5.107 -5.549 -0.521 116 HB3 ARG 18 HB2 ARG 18 -5.033 -7.220 -1.072 117 HG2 ARG 18 HG3 ARG 18 -3.002 -6.672 -2.411 118 HG3 ARG 18 HG2 ARG 18 -3.080 -5.010 -1.820 119 HD2 ARG 18 HD3 ARG 18 -2.576 -7.513 -0.171 120 HD3 ARG 18 HD2 ARG 18 -1.409 -6.251 -0.563 121 HE ARG 18 HE ARG 18 -2.854 -4.719 0.787 122 HH11 ARG 18 HH11 ARG 18 -2.834 -8.107 1.456 123 HH12 ARG 18 HH12 ARG 18 -3.424 -7.902 3.068 124 HH21 ARG 18 HH21 ARG 18 -3.583 -4.484 2.895 125 HH22 ARG 18 HH22 ARG 18 -3.818 -5.895 3.869 126 H VAL 19 H VAL 19 -6.861 -8.044 -3.142 127 HA VAL 19 HA VAL 19 -5.040 -9.239 -4.962 128 HB VAL 19 HB VAL 19 -8.041 -9.767 -4.741 129 HG11 VAL 19 HG11 VAL 19 -7.530 -12.029 -5.615 130 HG12 VAL 19 HG12 VAL 19 -5.835 -11.577 -5.811 131 HG13 VAL 19 HG13 VAL 19 -7.079 -10.778 -6.774 132 HG21 VAL 19 HG21 VAL 19 -5.751 -11.062 -3.201 133 HG22 VAL 19 HG22 VAL 19 -7.443 -11.565 -3.136 134 HG23 VAL 19 HG23 VAL 19 -6.975 -9.973 -2.538 135 H THR 20 H THR 20 -7.802 -7.095 -5.464 136 HA THR 20 HA THR 20 -7.729 -7.102 -8.352 137 HB THR 20 HB THR 20 -9.038 -5.105 -6.448 138 HG1 THR 20 HG1 THR 20 -9.990 -7.091 -6.148 139 HG21 THR 20 HG21 THR 20 -8.790 -4.140 -8.710 140 HG22 THR 20 HG22 THR 20 -10.484 -4.498 -8.367 141 HG23 THR 20 HG23 THR 20 -9.553 -5.569 -9.413 142 H LEU 21 H LEU 21 -6.487 -4.916 -5.799 143 HA LEU 21 HA LEU 21 -5.516 -2.809 -7.386 144 HB2 LEU 21 HB3 LEU 21 -4.584 -3.854 -4.689 145 HB3 LEU 21 HB2 LEU 21 -3.965 -2.369 -5.400 146 HG LEU 21 HG LEU 21 -6.896 -2.830 -4.696 147 HD11 LEU 21 HD11 LEU 21 -4.807 -1.263 -3.148 148 HD12 LEU 21 HD12 LEU 21 -5.548 -2.785 -2.651 149 HD13 LEU 21 HD13 LEU 21 -6.535 -1.332 -2.783 150 HD21 LEU 21 HD21 LEU 21 -7.126 -0.399 -5.043 151 HD22 LEU 21 HD22 LEU 21 -6.600 -1.212 -6.514 152 HD23 LEU 21 HD23 LEU 21 -5.437 -0.303 -5.546 153 H THR 22 H THR 22 -3.857 -5.737 -6.247 154 HA THR 22 HA THR 22 -1.275 -5.147 -7.279 155 HB THR 22 HB THR 22 -0.774 -7.549 -6.809 156 HG1 THR 22 HG1 THR 22 -2.654 -8.664 -5.718 157 HG21 THR 22 HG21 THR 22 -1.188 -7.505 -4.379 158 HG22 THR 22 HG22 THR 22 -2.346 -6.190 -4.586 159 HG23 THR 22 HG23 THR 22 -0.637 -5.930 -4.948 160 H SER 23 H SER 23 -4.107 -6.531 -8.701 161 HA SER 23 HA SER 23 -2.800 -7.736 -10.998 162 HB2 SER 23 HB3 SER 23 -4.878 -8.714 -10.080 163 HB3 SER 23 HB2 SER 23 -5.753 -7.224 -10.429 164 HG SER 23 HG SER 23 -4.737 -9.162 -12.198 165 H VAL 24 H VAL 24 -4.893 -4.890 -10.430 166 HA VAL 24 HA VAL 24 -4.890 -4.095 -13.218 167 HB VAL 24 HB VAL 24 -6.071 -2.657 -10.798 168 HG11 VAL 24 HG11 VAL 24 -5.765 -1.102 -12.676 169 HG12 VAL 24 HG12 VAL 24 -7.481 -1.441 -12.448 170 HG13 VAL 24 HG13 VAL 24 -6.597 -2.216 -13.766 171 HG21 VAL 24 HG21 VAL 24 -7.431 -4.534 -12.779 172 HG22 VAL 24 HG22 VAL 24 -8.242 -3.637 -11.491 173 HG23 VAL 24 HG23 VAL 24 -7.073 -4.894 -11.087 174 H ILE 25 H ILE 25 -3.386 -2.867 -10.218 175 HA ILE 25 HA ILE 25 -2.207 -0.542 -11.472 176 HB ILE 25 HB ILE 25 -1.553 -1.800 -8.775 177 HG12 ILE 25 HG12 ILE 25 -3.324 0.617 -9.360 178 HG13 ILE 25 HG11 ILE 25 -3.937 -0.999 -9.019 179 HG21 ILE 25 HG21 ILE 25 -0.512 0.382 -8.186 180 HG22 ILE 25 HG22 ILE 25 -0.804 0.962 -9.826 181 HG23 ILE 25 HG23 ILE 25 0.312 -0.377 -9.553 182 HD11 ILE 25 HD11 ILE 25 -4.055 0.425 -7.072 183 HD12 ILE 25 HD12 ILE 25 -2.316 0.707 -7.136 184 HD13 ILE 25 HD13 ILE 25 -2.939 -0.911 -6.796 185 H ASP 26 H ASP 26 -0.443 -0.583 -12.738 186 HA ASP 26 HA ASP 26 1.619 -2.640 -12.474 187 HB2 ASP 26 HB3 ASP 26 0.924 -1.821 -14.745 188 HB3 ASP 26 HB2 ASP 26 1.515 -0.215 -14.323 189 HA PRO 27 HA PRO 27 3.479 0.047 -9.377 190 HB2 PRO 27 HB3 PRO 27 5.593 -1.485 -8.642 191 HB3 PRO 27 HB2 PRO 27 3.927 -1.948 -8.264 192 HG2 PRO 27 HG3 PRO 27 5.698 -2.922 -10.506 193 HG3 PRO 27 HG2 PRO 27 4.656 -3.864 -9.419 194 HD2 PRO 27 HD3 PRO 27 3.904 -3.132 -11.963 195 HD3 PRO 27 HD2 PRO 27 2.741 -3.393 -10.642 196 H SER 28 H SER 28 5.234 -0.917 -12.299 197 HA SER 28 HA SER 28 7.583 0.700 -11.756 198 HB2 SER 28 HB3 SER 28 8.468 -0.030 -13.852 199 HB3 SER 28 HB2 SER 28 7.614 -1.421 -13.191 200 HG SER 28 HG SER 28 6.085 -1.228 -14.702 201 H ARG 29 H ARG 29 4.622 1.032 -13.662 202 HA ARG 29 HA ARG 29 5.097 3.387 -15.078 203 HB2 ARG 29 HB3 ARG 29 2.537 2.337 -13.809 204 HB3 ARG 29 HB2 ARG 29 2.557 3.774 -14.824 205 HG2 ARG 29 HG3 ARG 29 3.330 0.970 -15.696 206 HG3 ARG 29 HG2 ARG 29 1.818 1.802 -16.075 207 HD2 ARG 29 HD3 ARG 29 3.145 3.560 -17.260 208 HD3 ARG 29 HD2 ARG 29 4.607 2.607 -16.980 209 HE ARG 29 HE ARG 29 2.331 1.851 -18.718 210 HH11 ARG 29 HH11 ARG 29 5.605 1.262 -17.751 211 HH12 ARG 29 HH12 ARG 29 5.931 0.272 -19.127 212 HH21 ARG 29 HH21 ARG 29 2.773 0.564 -20.443 213 HH22 ARG 29 HH22 ARG 29 4.347 -0.131 -20.618 214 H ILE 30 H ILE 30 4.267 2.971 -11.663 215 HA ILE 30 HA ILE 30 4.011 5.886 -11.312 216 HB ILE 30 HB ILE 30 2.786 5.460 -9.263 217 HG12 ILE 30 HG12 ILE 30 3.206 2.455 -9.687 218 HG13 ILE 30 HG11 ILE 30 4.087 3.416 -8.505 219 HG21 ILE 30 HG21 ILE 30 1.489 5.376 -11.350 220 HG22 ILE 30 HG22 ILE 30 0.800 4.276 -10.158 221 HG23 ILE 30 HG23 ILE 30 1.774 3.639 -11.487 222 HD11 ILE 30 HD11 ILE 30 2.316 2.238 -7.407 223 HD12 ILE 30 HD12 ILE 30 1.122 2.878 -8.537 224 HD13 ILE 30 HD13 ILE 30 1.937 3.967 -7.402 225 H THR 31 H THR 31 6.562 3.778 -11.058 226 HA THR 31 HA THR 31 7.639 4.281 -8.503 227 HB THR 31 HB THR 31 9.936 3.854 -9.431 228 HG1 THR 31 HG1 THR 31 10.174 4.248 -11.467 229 HG21 THR 31 HG21 THR 31 8.588 1.964 -8.652 230 HG22 THR 31 HG22 THR 31 9.585 1.502 -10.035 231 HG23 THR 31 HG23 THR 31 7.860 1.807 -10.253 232 HA PRO 32 HA PRO 32 9.956 8.267 -10.309 233 HB2 PRO 32 HB3 PRO 32 8.507 9.727 -12.177 234 HB3 PRO 32 HB2 PRO 32 9.793 8.587 -12.598 235 HG2 PRO 32 HG3 PRO 32 6.804 8.138 -12.562 236 HG3 PRO 32 HG2 PRO 32 7.987 7.683 -13.809 237 HD2 PRO 32 HD3 PRO 32 7.097 5.864 -12.049 238 HD3 PRO 32 HD2 PRO 32 8.804 5.866 -12.551 239 H TYR 33 H TYR 33 6.432 8.094 -10.273 240 HA TYR 33 HA TYR 33 5.825 10.530 -9.006 241 HB2 TYR 33 HB2 TYR 33 4.126 9.203 -10.212 242 HB3 TYR 33 HB1 TYR 33 4.284 7.892 -9.044 243 HD1 TYR 33 HD1 TYR 33 2.623 7.788 -7.345 244 HD2 TYR 33 HD2 TYR 33 3.624 11.583 -9.074 245 HE1 TYR 33 HE1 TYR 33 0.993 8.920 -5.886 246 HE2 TYR 33 HE2 TYR 33 1.984 12.681 -7.631 247 HH TYR 33 HH TYR 33 0.551 11.130 -4.964 248 H LEU 34 H LEU 34 6.138 7.231 -7.636 249 HA LEU 34 HA LEU 34 5.666 7.986 -4.930 250 HB2 LEU 34 HB3 LEU 34 7.010 5.491 -6.016 251 HB3 LEU 34 HB2 LEU 34 6.440 5.702 -4.367 252 HG LEU 34 HG LEU 34 4.720 5.514 -6.872 253 HD11 LEU 34 HD11 LEU 34 3.887 3.429 -5.881 254 HD12 LEU 34 HD12 LEU 34 4.982 3.623 -4.510 255 HD13 LEU 34 HD13 LEU 34 5.631 3.366 -6.132 256 HD21 LEU 34 HD21 LEU 34 3.792 5.965 -4.010 257 HD22 LEU 34 HD22 LEU 34 2.748 5.638 -5.397 258 HD23 LEU 34 HD23 LEU 34 3.686 7.125 -5.337 259 H ARG 35 H ARG 35 8.656 7.628 -6.807 260 HA ARG 35 HA ARG 35 10.510 7.922 -4.641 261 HB2 ARG 35 HB3 ARG 35 10.839 8.312 -7.643 262 HB3 ARG 35 HB2 ARG 35 12.176 8.471 -6.504 263 HG2 ARG 35 HG3 ARG 35 10.516 5.948 -6.810 264 HG3 ARG 35 HG2 ARG 35 12.023 6.248 -7.679 265 HD2 ARG 35 HD3 ARG 35 11.815 6.241 -4.641 266 HD3 ARG 35 HD2 ARG 35 12.237 4.819 -5.594 267 HE ARG 35 HE ARG 35 14.129 6.342 -6.469 268 HH11 ARG 35 HH11 ARG 35 12.957 6.488 -3.207 269 HH12 ARG 35 HH12 ARG 35 14.504 6.906 -2.573 270 HH21 ARG 35 HH21 ARG 35 16.088 6.859 -5.614 271 HH22 ARG 35 HH22 ARG 35 16.252 7.105 -3.909 272 H GLN 36 H GLN 36 9.136 10.243 -7.017 273 HA GLN 36 HA GLN 36 10.436 12.581 -6.143 274 HB2 GLN 36 HB3 GLN 36 9.039 12.306 -8.237 275 HB3 GLN 36 HB2 GLN 36 7.597 12.408 -7.245 276 HG2 GLN 36 HG3 GLN 36 9.642 14.648 -7.360 277 HG3 GLN 36 HG2 GLN 36 8.334 14.518 -8.527 278 HE21 GLN 36 HE21 GLN 36 8.891 16.644 -6.574 279 HE22 GLN 36 HE22 GLN 36 7.464 16.780 -5.612 280 H CYS 37 H CYS 37 7.539 10.979 -4.890 281 HA CYS 37 HA CYS 37 7.006 12.943 -2.819 282 HB2 CYS 37 HB3 CYS 37 5.187 11.617 -3.818 283 HB3 CYS 37 HB2 CYS 37 5.920 10.131 -3.218 284 HG CYS 37 HG CYS 37 3.596 10.931 -1.730 285 H LYS 38 H LYS 38 9.227 10.370 -3.145 286 HA LYS 38 HA LYS 38 10.647 9.231 -1.836 287 HB2 LYS 38 HB3 LYS 38 10.145 11.554 0.048 288 HB3 LYS 38 HB2 LYS 38 11.282 10.275 0.440 289 HG2 LYS 38 HG3 LYS 38 12.653 11.941 -0.454 290 HG3 LYS 38 HG2 LYS 38 12.427 10.832 -1.803 291 HD2 LYS 38 HD3 LYS 38 12.254 13.097 -2.637 292 HD3 LYS 38 HD2 LYS 38 10.654 12.356 -2.710 293 HE2 LYS 38 HE3 LYS 38 10.432 14.630 -1.893 294 HE3 LYS 38 HE2 LYS 38 10.067 13.521 -0.570 295 HZ1 LYS 38 HZ1 LYS 38 12.658 14.922 -0.982 296 HZ2 LYS 38 HZ2 LYS 38 12.287 13.885 0.302 297 HZ3 LYS 38 HZ3 LYS 38 11.472 15.355 0.144 298 H VAL 39 H VAL 39 7.587 8.737 -1.468 299 HA VAL 39 HA VAL 39 7.486 7.304 1.043 300 HB VAL 39 HB VAL 39 5.372 6.309 0.268 301 HG11 VAL 39 HG11 VAL 39 5.286 8.575 1.208 302 HG12 VAL 39 HG12 VAL 39 4.046 8.374 -0.031 303 HG13 VAL 39 HG13 VAL 39 5.522 9.271 -0.397 304 HG21 VAL 39 HG21 VAL 39 5.891 7.643 -2.424 305 HG22 VAL 39 HG22 VAL 39 4.411 6.796 -1.963 306 HG23 VAL 39 HG23 VAL 39 5.928 5.907 -2.110 307 H LEU 40 H LEU 40 8.475 6.604 -2.217 308 HA LEU 40 HA LEU 40 8.984 3.753 -1.710 309 HB2 LEU 40 HB3 LEU 40 7.928 4.591 -3.862 310 HB3 LEU 40 HB2 LEU 40 9.437 5.401 -4.235 311 HG LEU 40 HG LEU 40 10.568 3.142 -4.254 312 HD11 LEU 40 HD11 LEU 40 9.178 1.126 -4.394 313 HD12 LEU 40 HD12 LEU 40 7.734 2.083 -4.051 314 HD13 LEU 40 HD13 LEU 40 9.000 1.921 -2.831 315 HD21 LEU 40 HD21 LEU 40 9.854 4.206 -6.359 316 HD22 LEU 40 HD22 LEU 40 8.269 3.441 -6.218 317 HD23 LEU 40 HD23 LEU 40 9.716 2.450 -6.440 318 H ASN 41 H ASN 41 11.002 3.073 -1.108 319 HA ASN 41 HA ASN 41 13.266 4.944 -1.069 320 HB2 ASN 41 HB3 ASN 41 12.743 2.235 0.201 321 HB3 ASN 41 HB2 ASN 41 14.326 3.004 0.278 322 HD21 ASN 41 HD21 ASN 41 14.604 4.777 1.596 323 HD22 ASN 41 HD22 ASN 41 13.416 5.316 2.723 324 HA PRO 42 HA PRO 42 15.742 3.588 -4.500 325 HB2 PRO 42 HB3 PRO 42 18.108 2.602 -3.253 326 HB3 PRO 42 HB2 PRO 42 17.796 4.273 -3.736 327 HG2 PRO 42 HG3 PRO 42 17.410 2.963 -1.048 328 HG3 PRO 42 HG2 PRO 42 18.063 4.573 -1.428 329 HD2 PRO 42 HD3 PRO 42 15.583 4.368 -0.531 330 HD3 PRO 42 HD2 PRO 42 15.917 5.463 -1.895 331 H ASP 43 H ASP 43 16.164 1.122 -1.903 332 HA ASP 43 HA ASP 43 16.583 -1.036 -3.761 333 HB2 ASP 43 HB3 ASP 43 16.647 -2.483 -1.748 334 HB3 ASP 43 HB2 ASP 43 17.687 -1.075 -1.586 335 H ASP 44 H ASP 44 13.736 0.318 -2.245 336 HA ASP 44 HA ASP 44 11.931 -1.861 -2.694 337 HB2 ASP 44 HB3 ASP 44 11.343 1.129 -2.579 338 HB3 ASP 44 HB2 ASP 44 10.137 -0.150 -2.478 339 H GLU 45 H GLU 45 12.681 1.108 -4.513 340 HA GLU 45 HA GLU 45 11.179 0.712 -6.838 341 HB2 GLU 45 HB3 GLU 45 12.281 2.847 -6.323 342 HB3 GLU 45 HB2 GLU 45 13.867 2.097 -6.458 343 HG2 GLU 45 HG3 GLU 45 13.386 1.661 -8.887 344 HG3 GLU 45 HG2 GLU 45 11.885 2.570 -8.705 345 H GLU 46 H GLU 46 14.501 -0.310 -6.078 346 HA GLU 46 HA GLU 46 15.167 -1.549 -8.527 347 HB2 GLU 46 HB3 GLU 46 16.772 -0.857 -6.704 348 HB3 GLU 46 HB2 GLU 46 16.219 -2.219 -5.746 349 HG2 GLU 46 HG3 GLU 46 18.302 -2.829 -6.736 350 HG3 GLU 46 HG2 GLU 46 17.046 -3.756 -7.554 351 H GLN 47 H GLN 47 13.539 -2.773 -5.626 352 HA GLN 47 HA GLN 47 13.342 -5.521 -6.425 353 HB2 GLN 47 HB3 GLN 47 13.235 -4.841 -4.065 354 HB3 GLN 47 HB2 GLN 47 11.768 -3.922 -4.366 355 HG2 GLN 47 HG3 GLN 47 10.523 -5.978 -4.795 356 HG3 GLN 47 HG2 GLN 47 11.994 -6.936 -4.645 357 HE21 GLN 47 HE21 GLN 47 11.233 -4.250 -2.473 358 HE22 GLN 47 HE22 GLN 47 10.960 -5.233 -1.084 359 H VAL 48 H VAL 48 11.245 -2.683 -6.867 360 HA VAL 48 HA VAL 48 9.047 -4.001 -8.137 361 HB VAL 48 HB VAL 48 10.052 -1.124 -8.333 362 HG11 VAL 48 HG11 VAL 48 7.464 -2.253 -9.459 363 HG12 VAL 48 HG12 VAL 48 8.811 -1.593 -10.388 364 HG13 VAL 48 HG13 VAL 48 7.859 -0.535 -9.349 365 HG21 VAL 48 HG21 VAL 48 9.198 -1.773 -6.101 366 HG22 VAL 48 HG22 VAL 48 7.670 -2.279 -6.825 367 HG23 VAL 48 HG23 VAL 48 8.145 -0.580 -6.864 368 H LEU 49 H LEU 49 12.073 -2.627 -9.352 369 HA LEU 49 HA LEU 49 11.449 -3.294 -12.149 370 HB2 LEU 49 HB3 LEU 49 13.771 -1.743 -10.939 371 HB3 LEU 49 HB2 LEU 49 13.447 -1.917 -12.660 372 HG LEU 49 HG LEU 49 11.640 -0.472 -10.669 373 HD11 LEU 49 HD11 LEU 49 13.419 0.717 -12.818 374 HD12 LEU 49 HD12 LEU 49 13.703 0.787 -11.076 375 HD13 LEU 49 HD13 LEU 49 12.303 1.601 -11.770 376 HD21 LEU 49 HD21 LEU 49 10.366 0.274 -12.641 377 HD22 LEU 49 HD22 LEU 49 10.329 -1.477 -12.464 378 HD23 LEU 49 HD23 LEU 49 11.374 -0.738 -13.681 379 H SER 50 H SER 50 12.321 -5.258 -9.879 380 HA SER 50 HA SER 50 14.820 -6.402 -10.759 381 HB2 SER 50 HB3 SER 50 14.331 -8.217 -9.176 382 HB3 SER 50 HB2 SER 50 13.930 -6.674 -8.421 383 HG SER 50 HG SER 50 12.233 -8.712 -9.354 384 H ASP 51 H ASP 51 11.627 -6.585 -11.979 385 HA ASP 51 HA ASP 51 12.068 -9.160 -13.379 386 HB2 ASP 51 HB3 ASP 51 9.554 -7.713 -12.495 387 HB3 ASP 51 HB2 ASP 51 9.482 -8.939 -13.758 388 HA PRO 52 HA PRO 52 12.387 -6.736 -17.225 389 HB2 PRO 52 HB3 PRO 52 12.316 -8.822 -19.007 390 HB3 PRO 52 HB2 PRO 52 13.742 -8.454 -18.025 391 HG2 PRO 52 HG3 PRO 52 11.568 -10.495 -17.511 392 HG3 PRO 52 HG2 PRO 52 13.333 -10.708 -17.436 393 HD2 PRO 52 HD3 PRO 52 11.866 -10.306 -15.203 394 HD3 PRO 52 HD2 PRO 52 13.501 -9.618 -15.365 395 H ASN 53 H ASN 53 9.822 -9.180 -16.774 396 HA ASN 53 HA ASN 53 8.066 -7.826 -18.751 397 HB2 ASN 53 HB3 ASN 53 7.968 -10.698 -17.732 398 HB3 ASN 53 HB2 ASN 53 6.840 -9.996 -18.891 399 HD21 ASN 53 HD21 ASN 53 8.655 -12.265 -19.201 400 HD22 ASN 53 HD22 ASN 53 9.653 -11.892 -20.557 401 H LEU 54 H LEU 54 8.510 -8.305 -15.430 402 HA LEU 54 HA LEU 54 7.301 -8.123 -13.539 403 HB2 LEU 54 HB3 LEU 54 5.591 -6.290 -15.265 404 HB3 LEU 54 HB2 LEU 54 5.360 -6.479 -13.537 405 HG LEU 54 HG LEU 54 7.819 -5.681 -13.296 406 HD11 LEU 54 HD11 LEU 54 7.360 -4.687 -16.119 407 HD12 LEU 54 HD12 LEU 54 8.537 -5.901 -15.616 408 HD13 LEU 54 HD13 LEU 54 8.705 -4.235 -15.066 409 HD21 LEU 54 HD21 LEU 54 7.155 -3.310 -13.320 410 HD22 LEU 54 HD22 LEU 54 5.904 -4.320 -12.602 411 HD23 LEU 54 HD23 LEU 54 5.708 -3.715 -14.250 412 H VAL 55 H VAL 55 6.813 -10.466 -14.947 413 HA VAL 55 HA VAL 55 4.076 -11.127 -15.307 414 HB VAL 55 HB VAL 55 5.955 -12.368 -16.374 415 HG11 VAL 55 HG11 VAL 55 7.254 -14.070 -15.160 416 HG12 VAL 55 HG12 VAL 55 6.477 -13.609 -13.646 417 HG13 VAL 55 HG13 VAL 55 7.534 -12.467 -14.475 418 HG21 VAL 55 HG21 VAL 55 3.736 -13.426 -16.298 419 HG22 VAL 55 HG22 VAL 55 4.115 -14.158 -14.738 420 HG23 VAL 55 HG23 VAL 55 5.005 -14.650 -16.181 421 H ILE 56 H ILE 56 6.067 -11.034 -12.447 422 HA ILE 56 HA ILE 56 4.155 -12.547 -10.786 423 HB ILE 56 HB ILE 56 6.822 -11.332 -9.896 424 HG12 ILE 56 HG12 ILE 56 6.369 -14.141 -11.026 425 HG13 ILE 56 HG11 ILE 56 7.201 -12.837 -11.863 426 HG21 ILE 56 HG21 ILE 56 6.786 -13.089 -8.140 427 HG22 ILE 56 HG22 ILE 56 5.228 -13.661 -8.739 428 HG23 ILE 56 HG23 ILE 56 5.363 -12.051 -8.034 429 HD11 ILE 56 HD11 ILE 56 8.120 -14.215 -9.340 430 HD12 ILE 56 HD12 ILE 56 8.952 -12.872 -10.131 431 HD13 ILE 56 HD13 ILE 56 8.779 -14.417 -10.963 432 H ARG 57 H ARG 57 3.628 -9.781 -11.935 433 HA ARG 57 HA ARG 57 3.919 -7.627 -10.239 434 HB2 ARG 57 HB3 ARG 57 3.128 -7.476 -12.559 435 HB3 ARG 57 HB2 ARG 57 1.598 -8.215 -12.106 436 HG2 ARG 57 HG3 ARG 57 1.051 -6.242 -10.719 437 HG3 ARG 57 HG2 ARG 57 2.598 -5.509 -11.154 438 HD2 ARG 57 HD3 ARG 57 0.392 -6.221 -13.130 439 HD3 ARG 57 HD2 ARG 57 0.676 -4.614 -12.465 440 HE ARG 57 HE ARG 57 2.633 -4.416 -13.741 441 HH11 ARG 57 HH11 ARG 57 1.117 -7.455 -14.401 442 HH12 ARG 57 HH12 ARG 57 1.946 -7.649 -15.900 443 HH21 ARG 57 HH21 ARG 57 3.654 -4.695 -15.673 444 HH22 ARG 57 HH22 ARG 57 3.356 -6.123 -16.607 445 H LYS 58 H LYS 58 1.343 -10.060 -10.097 446 HA LYS 58 HA LYS 58 -0.411 -8.841 -8.277 447 HB2 LYS 58 HB3 LYS 58 -0.932 -10.865 -9.647 448 HB3 LYS 58 HB2 LYS 58 0.141 -11.818 -8.627 449 HG2 LYS 58 HG3 LYS 58 -1.341 -11.358 -6.677 450 HG3 LYS 58 HG2 LYS 58 -2.426 -10.448 -7.737 451 HD2 LYS 58 HD3 LYS 58 -2.873 -12.489 -9.050 452 HD3 LYS 58 HD2 LYS 58 -1.742 -13.402 -8.046 453 HE2 LYS 58 HE3 LYS 58 -3.210 -12.949 -6.068 454 HE3 LYS 58 HE2 LYS 58 -4.359 -12.146 -7.142 455 HZ1 LYS 58 HZ1 LYS 58 -3.518 -14.988 -7.323 456 HZ2 LYS 58 HZ2 LYS 58 -4.634 -14.222 -8.336 457 HZ3 LYS 58 HZ3 LYS 58 -4.988 -14.430 -6.698 458 H ARG 59 H ARG 59 2.564 -10.662 -7.677 459 HA ARG 59 HA ARG 59 2.307 -10.408 -4.764 460 HB2 ARG 59 HB3 ARG 59 4.480 -11.703 -6.456 461 HB3 ARG 59 HB2 ARG 59 4.432 -11.713 -4.691 462 HG2 ARG 59 HG3 ARG 59 2.284 -12.949 -4.767 463 HG3 ARG 59 HG2 ARG 59 2.362 -12.968 -6.530 464 HD2 ARG 59 HD3 ARG 59 4.444 -14.300 -6.409 465 HD3 ARG 59 HD2 ARG 59 4.350 -14.291 -4.642 466 HE ARG 59 HE ARG 59 2.453 -15.636 -6.475 467 HH11 ARG 59 HH11 ARG 59 3.834 -15.402 -3.306 468 HH12 ARG 59 HH12 ARG 59 2.959 -16.770 -2.718 469 HH21 ARG 59 HH21 ARG 59 1.354 -17.374 -5.695 470 HH22 ARG 59 HH22 ARG 59 1.570 -17.869 -4.052 471 H LYS 60 H LYS 60 4.101 -8.906 -7.434 472 HA LYS 60 HA LYS 60 6.122 -7.638 -5.879 473 HB2 LYS 60 HB3 LYS 60 5.029 -6.727 -8.572 474 HB3 LYS 60 HB2 LYS 60 6.544 -6.191 -7.842 475 HG2 LYS 60 HG3 LYS 60 7.332 -8.589 -7.918 476 HG3 LYS 60 HG2 LYS 60 5.871 -8.982 -8.817 477 HD2 LYS 60 HD3 LYS 60 7.594 -8.714 -10.448 478 HD3 LYS 60 HD2 LYS 60 6.601 -7.255 -10.553 479 HE2 LYS 60 HE3 LYS 60 8.990 -6.691 -10.636 480 HE3 LYS 60 HE2 LYS 60 8.260 -6.038 -9.167 481 HZ1 LYS 60 HZ1 LYS 60 10.423 -7.091 -8.771 482 HZ2 LYS 60 HZ2 LYS 60 9.811 -8.568 -9.315 483 HZ3 LYS 60 HZ3 LYS 60 9.188 -7.861 -7.916 484 H VAL 61 H VAL 61 2.991 -6.355 -7.092 485 HA VAL 61 HA VAL 61 3.177 -3.819 -5.809 486 HB VAL 61 HB VAL 61 0.618 -5.267 -6.621 487 HG11 VAL 61 HG11 VAL 61 -0.393 -2.998 -6.771 488 HG12 VAL 61 HG12 VAL 61 1.110 -2.292 -6.170 489 HG13 VAL 61 HG13 VAL 61 0.162 -3.358 -5.132 490 HG21 VAL 61 HG21 VAL 61 2.123 -5.097 -8.551 491 HG22 VAL 61 HG22 VAL 61 2.311 -3.364 -8.278 492 HG23 VAL 61 HG23 VAL 61 0.740 -4.018 -8.751 493 H GLY 62 H GLY 62 1.839 -6.966 -4.810 494 HA2 GLY 62 HA3 GLY 62 0.501 -6.224 -2.440 495 HA3 GLY 62 HA2 GLY 62 1.168 -7.813 -2.775 496 H VAL 63 H VAL 63 3.839 -7.407 -2.852 497 HA VAL 63 HA VAL 63 4.685 -7.000 -0.160 498 HB VAL 63 HB VAL 63 6.304 -7.343 -2.725 499 HG11 VAL 63 HG11 VAL 63 7.344 -7.337 0.143 500 HG12 VAL 63 HG12 VAL 63 7.722 -6.149 -1.107 501 HG13 VAL 63 HG13 VAL 63 8.280 -7.813 -1.278 502 HG21 VAL 63 HG21 VAL 63 4.964 -9.319 -2.099 503 HG22 VAL 63 HG22 VAL 63 5.670 -9.308 -0.480 504 HG23 VAL 63 HG23 VAL 63 6.686 -9.649 -1.882 505 H LEU 64 H LEU 64 4.775 -4.960 -3.083 506 HA LEU 64 HA LEU 64 6.277 -2.784 -2.213 507 HB2 LEU 64 HB3 LEU 64 5.459 -2.972 -4.508 508 HB3 LEU 64 HB2 LEU 64 3.799 -2.821 -3.971 509 HG LEU 64 HG LEU 64 4.262 -0.459 -3.270 510 HD11 LEU 64 HD11 LEU 64 6.648 -0.594 -2.842 511 HD12 LEU 64 HD12 LEU 64 6.314 0.659 -4.033 512 HD13 LEU 64 HD13 LEU 64 6.970 -0.895 -4.552 513 HD21 LEU 64 HD21 LEU 64 4.323 0.507 -5.533 514 HD22 LEU 64 HD22 LEU 64 3.256 -0.893 -5.466 515 HD23 LEU 64 HD23 LEU 64 4.859 -1.041 -6.192 516 H LEU 65 H LEU 65 2.741 -3.258 -1.784 517 HA LEU 65 HA LEU 65 2.237 -0.910 -0.249 518 HB2 LEU 65 HB3 LEU 65 0.640 -3.500 -0.155 519 HB3 LEU 65 HB2 LEU 65 0.063 -1.890 0.259 520 HG LEU 65 HG LEU 65 0.661 -3.008 -2.497 521 HD11 LEU 65 HD11 LEU 65 -1.521 -3.604 -1.646 522 HD12 LEU 65 HD12 LEU 65 -1.677 -2.477 -2.991 523 HD13 LEU 65 HD13 LEU 65 -1.904 -1.907 -1.334 524 HD21 LEU 65 HD21 LEU 65 1.580 -0.757 -2.497 525 HD22 LEU 65 HD22 LEU 65 0.066 -0.103 -1.868 526 HD23 LEU 65 HD23 LEU 65 0.118 -0.822 -3.479 527 H ASP 66 H ASP 66 2.958 -4.247 0.606 528 HA ASP 66 HA ASP 66 2.806 -4.173 3.418 529 HB2 ASP 66 HB3 ASP 66 2.832 -6.254 2.110 530 HB3 ASP 66 HB2 ASP 66 4.465 -5.923 1.548 531 H ILE 67 H ILE 67 5.354 -3.035 1.255 532 HA ILE 67 HA ILE 67 7.169 -2.407 3.448 533 HB ILE 67 HB ILE 67 7.237 -1.393 0.565 534 HG12 ILE 67 HG12 ILE 67 8.852 -3.672 1.818 535 HG13 ILE 67 HG11 ILE 67 7.478 -3.898 0.744 536 HG21 ILE 67 HG21 ILE 67 9.377 -1.301 2.735 537 HG22 ILE 67 HG22 ILE 67 8.485 0.078 2.089 538 HG23 ILE 67 HG23 ILE 67 9.604 -0.807 1.057 539 HD11 ILE 67 HD11 ILE 67 10.087 -2.572 0.014 540 HD12 ILE 67 HD12 ILE 67 8.707 -2.803 -1.064 541 HD13 ILE 67 HD13 ILE 67 9.574 -4.201 -0.428 542 H LEU 68 H LEU 68 4.898 -0.630 1.314 543 HA LEU 68 HA LEU 68 5.566 1.999 2.031 544 HB2 LEU 68 HB3 LEU 68 2.989 0.902 0.878 545 HB3 LEU 68 HB2 LEU 68 3.311 2.620 1.043 546 HG LEU 68 HG LEU 68 4.885 0.689 -0.711 547 HD11 LEU 68 HD11 LEU 68 2.644 1.121 -1.600 548 HD12 LEU 68 HD12 LEU 68 3.881 1.862 -2.613 549 HD13 LEU 68 HD13 LEU 68 2.925 2.862 -1.513 550 HD21 LEU 68 HD21 LEU 68 6.344 2.472 0.135 551 HD22 LEU 68 HD22 LEU 68 5.204 3.697 -0.427 552 HD23 LEU 68 HD23 LEU 68 6.045 2.670 -1.591 553 H GLN 69 H GLN 69 3.379 -0.240 3.703 554 HA GLN 69 HA GLN 69 1.982 1.410 5.422 555 HB2 GLN 69 HB3 GLN 69 2.216 -0.414 7.191 556 HB3 GLN 69 HB2 GLN 69 1.583 -0.907 5.632 557 HG2 GLN 69 HG3 GLN 69 3.037 -2.640 6.281 558 HG3 GLN 69 HG2 GLN 69 3.925 -1.730 5.063 559 HE21 GLN 69 HE21 GLN 69 5.934 -2.452 5.759 560 HE22 GLN 69 HE22 GLN 69 6.641 -1.995 7.262 561 H ARG 70 H ARG 70 5.416 0.931 5.481 562 HA ARG 70 HA ARG 70 6.313 1.801 7.935 563 HB2 ARG 70 HB3 ARG 70 8.420 2.279 6.847 564 HB3 ARG 70 HB2 ARG 70 7.692 0.927 5.988 565 HG2 ARG 70 HG3 ARG 70 6.815 2.707 4.308 566 HG3 ARG 70 HG2 ARG 70 7.960 3.808 5.074 567 HD2 ARG 70 HD3 ARG 70 8.598 1.228 3.607 568 HD3 ARG 70 HD2 ARG 70 8.948 2.874 3.070 569 HE ARG 70 HE ARG 70 10.238 2.446 5.533 570 HH11 ARG 70 HH11 ARG 70 10.455 1.366 2.256 571 HH12 ARG 70 HH12 ARG 70 12.138 1.049 2.370 572 HH21 ARG 70 HH21 ARG 70 12.411 2.005 5.638 573 HH22 ARG 70 HH22 ARG 70 13.231 1.378 4.254 574 H THR 71 H THR 71 4.928 3.760 5.346 575 HA THR 71 HA THR 71 5.915 6.318 6.284 576 HB THR 71 HB THR 71 4.471 7.308 4.549 577 HG1 THR 71 HG1 THR 71 3.564 4.880 3.560 578 HG21 THR 71 HG21 THR 71 5.414 6.215 2.548 579 HG22 THR 71 HG22 THR 71 5.879 4.811 3.508 580 HG23 THR 71 HG23 THR 71 6.649 6.374 3.799 581 H GLY 72 H GLY 72 3.080 4.350 6.949 582 HA2 GLY 72 HA3 GLY 72 1.562 4.688 8.701 583 HA3 GLY 72 HA2 GLY 72 2.037 6.369 8.809 584 H HIS 73 H HIS 73 1.187 7.865 7.157 585 HA HIS 73 HA HIS 73 -1.381 6.984 5.914 586 HB2 HIS 73 HB2 HIS 73 -0.662 9.709 7.088 587 HB3 HIS 73 HB1 HIS 73 -2.137 9.377 6.181 588 HD2 HIS 73 HD2 HIS 73 -2.663 10.479 9.050 589 HE1 HIS 73 HE1 HIS 73 -3.403 6.475 10.172 590 HE2 HIS 73 HE2 HIS 73 -3.501 8.893 10.909 591 H LYS 74 H LYS 74 1.562 8.902 5.564 592 HA LYS 74 HA LYS 74 1.069 10.458 3.334 593 HB2 LYS 74 HB3 LYS 74 3.064 10.658 4.753 594 HB3 LYS 74 HB2 LYS 74 3.676 9.117 4.157 595 HG2 LYS 74 HG3 LYS 74 3.831 10.126 1.868 596 HG3 LYS 74 HG2 LYS 74 3.338 11.676 2.558 597 HD2 LYS 74 HD3 LYS 74 5.345 11.731 3.957 598 HD3 LYS 74 HD2 LYS 74 5.808 10.115 3.413 599 HE2 LYS 74 HE3 LYS 74 7.103 11.879 2.270 600 HE3 LYS 74 HE2 LYS 74 6.131 10.941 1.139 601 HZ1 LYS 74 HZ1 LYS 74 5.484 13.640 2.189 602 HZ2 LYS 74 HZ2 LYS 74 4.489 12.743 1.161 603 HZ3 LYS 74 HZ3 LYS 74 6.003 13.266 0.624 604 H GLY 75 H GLY 75 2.368 7.130 3.302 605 HA2 GLY 75 HA3 GLY 75 2.747 6.843 0.505 606 HA3 GLY 75 HA2 GLY 75 2.608 5.533 1.668 607 H TYR 76 H TYR 76 0.001 6.191 2.608 608 HA TYR 76 HA TYR 76 -1.693 4.912 0.702 609 HB2 TYR 76 HB2 TYR 76 -2.018 4.598 3.101 610 HB3 TYR 76 HB1 TYR 76 -2.294 6.318 3.337 611 HD1 TYR 76 HD1 TYR 76 -4.539 6.894 3.740 612 HD2 TYR 76 HD2 TYR 76 -3.735 3.558 1.185 613 HE1 TYR 76 HE1 TYR 76 -6.953 6.500 3.493 614 HE2 TYR 76 HE2 TYR 76 -6.148 3.175 0.942 615 HH TYR 76 HH TYR 76 -8.500 5.430 1.949 616 H VAL 77 H VAL 77 -1.312 8.311 1.737 617 HA VAL 77 HA VAL 77 -3.417 9.454 0.208 618 HB VAL 77 HB VAL 77 -0.788 10.784 1.026 619 HG11 VAL 77 HG11 VAL 77 -2.036 12.929 0.841 620 HG12 VAL 77 HG12 VAL 77 -3.446 12.052 0.239 621 HG13 VAL 77 HG13 VAL 77 -1.958 12.084 -0.709 622 HG21 VAL 77 HG21 VAL 77 -1.950 9.873 2.992 623 HG22 VAL 77 HG22 VAL 77 -3.438 10.698 2.525 624 HG23 VAL 77 HG23 VAL 77 -2.019 11.635 3.002 625 H ALA 78 H ALA 78 0.072 9.136 -0.462 626 HA ALA 78 HA ALA 78 0.155 10.037 -3.117 627 HB1 ALA 78 HB1 ALA 78 2.299 8.822 -3.285 628 HB2 ALA 78 HB2 ALA 78 1.925 7.941 -1.799 629 HB3 ALA 78 HB3 ALA 78 2.180 9.686 -1.750 630 H PHE 79 H PHE 79 -0.556 6.810 -1.803 631 HA PHE 79 HA PHE 79 -0.713 5.337 -4.209 632 HB2 PHE 79 HB2 PHE 79 -0.578 4.295 -1.972 633 HB3 PHE 79 HB1 PHE 79 -2.171 4.913 -1.566 634 HD1 PHE 79 HD1 PHE 79 -4.132 3.644 -2.117 635 HD2 PHE 79 HD2 PHE 79 -0.370 2.566 -3.845 636 HE1 PHE 79 HE1 PHE 79 -5.119 1.563 -2.987 637 HE2 PHE 79 HE2 PHE 79 -1.367 0.493 -4.703 638 HZ PHE 79 HZ PHE 79 -3.737 -0.011 -4.278 639 H LEU 80 H LEU 80 -3.244 7.098 -2.384 640 HA LEU 80 HA LEU 80 -5.424 6.439 -4.101 641 HB2 LEU 80 HB3 LEU 80 -5.072 8.690 -2.096 642 HB3 LEU 80 HB2 LEU 80 -6.583 8.373 -2.937 643 HG LEU 80 HG LEU 80 -5.206 6.495 -0.969 644 HD11 LEU 80 HD11 LEU 80 -7.165 6.918 0.465 645 HD12 LEU 80 HD12 LEU 80 -7.777 8.087 -0.707 646 HD13 LEU 80 HD13 LEU 80 -6.260 8.395 0.140 647 HD21 LEU 80 HD21 LEU 80 -7.202 5.053 -1.196 648 HD22 LEU 80 HD22 LEU 80 -6.313 5.180 -2.712 649 HD23 LEU 80 HD23 LEU 80 -7.809 6.093 -2.489 650 H GLU 81 H GLU 81 -3.280 9.286 -3.977 651 HA GLU 81 HA GLU 81 -4.462 10.773 -6.089 652 HB2 GLU 81 HB3 GLU 81 -1.572 10.723 -5.128 653 HB3 GLU 81 HB2 GLU 81 -2.259 11.952 -6.188 654 HG2 GLU 81 HG3 GLU 81 -3.738 12.717 -4.415 655 HG3 GLU 81 HG2 GLU 81 -3.196 11.418 -3.353 656 H SER 82 H SER 82 -1.855 8.344 -6.042 657 HA SER 82 HA SER 82 -1.188 8.258 -8.778 658 HB2 SER 82 HB3 SER 82 0.185 7.136 -7.058 659 HB3 SER 82 HB2 SER 82 -1.120 6.000 -6.725 660 HG SER 82 HG SER 82 -0.342 4.840 -8.273 661 H LEU 83 H LEU 83 -3.716 6.540 -6.948 662 HA LEU 83 HA LEU 83 -4.763 4.966 -9.035 663 HB2 LEU 83 HB3 LEU 83 -6.033 6.078 -6.519 664 HB3 LEU 83 HB2 LEU 83 -6.954 5.111 -7.658 665 HG LEU 83 HG LEU 83 -4.515 4.163 -6.104 666 HD11 LEU 83 HD11 LEU 83 -7.448 3.431 -5.797 667 HD12 LEU 83 HD12 LEU 83 -6.489 4.396 -4.670 668 HD13 LEU 83 HD13 LEU 83 -6.102 2.695 -4.920 669 HD21 LEU 83 HD21 LEU 83 -6.280 2.653 -8.062 670 HD22 LEU 83 HD22 LEU 83 -5.029 1.936 -7.044 671 HD23 LEU 83 HD23 LEU 83 -4.584 3.090 -8.296 672 H GLU 84 H GLU 84 -6.072 8.133 -7.814 673 HA GLU 84 HA GLU 84 -8.008 8.369 -9.848 674 HB2 GLU 84 HB3 GLU 84 -8.113 9.585 -7.693 675 HB3 GLU 84 HB2 GLU 84 -6.775 10.609 -8.199 676 HG2 GLU 84 HG3 GLU 84 -8.091 11.714 -9.838 677 HG3 GLU 84 HG2 GLU 84 -9.339 10.470 -9.796 678 H LEU 85 H LEU 85 -4.611 9.318 -9.857 679 HA LEU 85 HA LEU 85 -4.676 10.919 -12.244 680 HB2 LEU 85 HB3 LEU 85 -2.898 10.831 -10.331 681 HB3 LEU 85 HB2 LEU 85 -2.226 9.468 -11.195 682 HG LEU 85 HG LEU 85 -2.494 12.276 -12.366 683 HD11 LEU 85 HD11 LEU 85 -0.075 12.538 -11.968 684 HD12 LEU 85 HD12 LEU 85 -0.038 10.983 -11.131 685 HD13 LEU 85 HD13 LEU 85 -0.965 12.326 -10.459 686 HD21 LEU 85 HD21 LEU 85 -0.901 9.892 -13.392 687 HD22 LEU 85 HD22 LEU 85 -0.874 11.520 -14.078 688 HD23 LEU 85 HD23 LEU 85 -2.356 10.570 -14.128 689 H TYR 86 H TYR 86 -3.625 7.521 -11.629 690 HA TYR 86 HA TYR 86 -3.180 7.062 -14.496 691 HB2 TYR 86 HB2 TYR 86 -2.509 5.408 -12.030 692 HB3 TYR 86 HB1 TYR 86 -2.238 4.827 -13.669 693 HD1 TYR 86 HD1 TYR 86 -1.285 7.612 -11.317 694 HD2 TYR 86 HD2 TYR 86 -0.211 5.363 -14.790 695 HE1 TYR 86 HE1 TYR 86 0.934 8.673 -11.318 696 HE2 TYR 86 HE2 TYR 86 2.004 6.426 -14.793 697 HH TYR 86 HH TYR 86 3.088 8.445 -13.963 698 H TYR 87 H TYR 87 -5.034 5.450 -11.857 699 HA TYR 87 HA TYR 87 -6.781 4.124 -13.878 700 HB2 TYR 87 HB2 TYR 87 -6.119 3.020 -11.108 701 HB3 TYR 87 HB1 TYR 87 -6.938 2.181 -12.421 702 HD1 TYR 87 HD1 TYR 87 -3.735 2.912 -10.902 703 HD2 TYR 87 HD2 TYR 87 -5.568 1.620 -14.547 704 HE1 TYR 87 HE1 TYR 87 -1.570 2.046 -11.686 705 HE2 TYR 87 HE2 TYR 87 -3.402 0.747 -15.319 706 HH TYR 87 HH TYR 87 -1.016 1.114 -14.911 707 HA PRO 88 HA PRO 88 -9.175 7.144 -11.200 708 HB2 PRO 88 HB3 PRO 88 -10.925 8.080 -13.086 709 HB3 PRO 88 HB2 PRO 88 -9.251 8.646 -12.968 710 HG2 PRO 88 HG3 PRO 88 -10.415 6.550 -14.809 711 HG3 PRO 88 HG2 PRO 88 -9.325 7.900 -15.203 712 HD2 PRO 88 HD3 PRO 88 -8.405 5.366 -14.846 713 HD3 PRO 88 HD2 PRO 88 -7.441 6.784 -14.376 714 H GLN 89 H GLN 89 -10.736 4.823 -13.436 715 HA GLN 89 HA GLN 89 -13.218 4.622 -12.054 716 HB2 GLN 89 HB3 GLN 89 -13.710 2.693 -13.444 717 HB3 GLN 89 HB2 GLN 89 -12.921 3.908 -14.435 718 HG2 GLN 89 HG3 GLN 89 -11.549 1.445 -13.304 719 HG3 GLN 89 HG2 GLN 89 -12.213 1.564 -14.930 720 HE21 GLN 89 HE21 GLN 89 -11.122 2.850 -16.463 721 HE22 GLN 89 HE22 GLN 89 -9.490 3.364 -16.224 722 H LEU 90 H LEU 90 -10.142 2.899 -11.721 723 HA LEU 90 HA LEU 90 -11.007 0.941 -9.833 724 HB2 LEU 90 HB3 LEU 90 -8.924 0.687 -11.155 725 HB3 LEU 90 HB2 LEU 90 -8.220 2.059 -10.314 726 HG LEU 90 HG LEU 90 -8.346 0.757 -8.159 727 HD11 LEU 90 HD11 LEU 90 -10.169 -0.783 -8.704 728 HD12 LEU 90 HD12 LEU 90 -8.730 -1.662 -8.200 729 HD13 LEU 90 HD13 LEU 90 -9.157 -1.585 -9.911 730 HD21 LEU 90 HD21 LEU 90 -6.436 -0.715 -8.615 731 HD22 LEU 90 HD22 LEU 90 -6.247 0.837 -9.430 732 HD23 LEU 90 HD23 LEU 90 -6.734 -0.587 -10.352 733 H TYR 91 H TYR 91 -9.509 4.166 -9.502 734 HA TYR 91 HA TYR 91 -9.330 4.390 -6.726 735 HB2 TYR 91 HB2 TYR 91 -8.432 6.083 -8.251 736 HB3 TYR 91 HB1 TYR 91 -10.052 6.536 -8.765 737 HD1 TYR 91 HD1 TYR 91 -7.830 6.452 -5.746 738 HD2 TYR 91 HD2 TYR 91 -11.207 8.295 -7.600 739 HE1 TYR 91 HE1 TYR 91 -7.885 8.146 -3.975 740 HE2 TYR 91 HE2 TYR 91 -11.248 9.994 -5.823 741 HH TYR 91 HH TYR 91 -8.693 10.493 -3.702 742 H LYS 92 H LYS 92 -12.109 5.265 -8.800 743 HA LYS 92 HA LYS 92 -13.872 6.088 -6.728 744 HB2 LYS 92 HB3 LYS 92 -14.523 5.109 -9.539 745 HB3 LYS 92 HB2 LYS 92 -15.640 5.973 -8.479 746 HG2 LYS 92 HG3 LYS 92 -14.154 7.949 -8.520 747 HG3 LYS 92 HG2 LYS 92 -13.030 7.084 -9.571 748 HD2 LYS 92 HD3 LYS 92 -14.932 6.885 -11.259 749 HD3 LYS 92 HD2 LYS 92 -15.867 7.968 -10.223 750 HE2 LYS 92 HE3 LYS 92 -13.251 8.608 -11.632 751 HE3 LYS 92 HE2 LYS 92 -14.847 9.226 -12.042 752 HZ1 LYS 92 HZ1 LYS 92 -13.416 9.771 -9.498 753 HZ2 LYS 92 HZ2 LYS 92 -14.911 10.411 -9.956 754 HZ3 LYS 92 HZ3 LYS 92 -13.515 10.828 -10.813 755 H LYS 93 H LYS 93 -13.120 2.943 -8.032 756 HA LYS 93 HA LYS 93 -15.308 1.477 -6.903 757 HB2 LYS 93 HB3 LYS 93 -14.022 0.626 -8.827 758 HB3 LYS 93 HB2 LYS 93 -12.560 0.568 -7.858 759 HG2 LYS 93 HG3 LYS 93 -13.503 -1.672 -8.185 760 HG3 LYS 93 HG2 LYS 93 -13.496 -1.227 -6.479 761 HD2 LYS 93 HD3 LYS 93 -15.592 -2.371 -7.092 762 HD3 LYS 93 HD2 LYS 93 -15.904 -0.716 -6.576 763 HE2 LYS 93 HE3 LYS 93 -16.159 -0.014 -8.919 764 HE3 LYS 93 HE2 LYS 93 -15.774 -1.644 -9.469 765 HZ1 LYS 93 HZ1 LYS 93 -18.139 -1.270 -9.486 766 HZ2 LYS 93 HZ2 LYS 93 -18.130 -0.858 -7.845 767 HZ3 LYS 93 HZ3 LYS 93 -17.761 -2.439 -8.322 768 H VAL 94 H VAL 94 -11.887 1.863 -5.910 769 HA VAL 94 HA VAL 94 -12.057 0.233 -3.578 770 HB VAL 94 HB VAL 94 -9.944 2.289 -4.361 771 HG11 VAL 94 HG11 VAL 94 -9.758 1.763 -1.968 772 HG12 VAL 94 HG12 VAL 94 -8.408 1.057 -2.855 773 HG13 VAL 94 HG13 VAL 94 -9.747 0.034 -2.328 774 HG21 VAL 94 HG21 VAL 94 -9.987 -0.720 -4.831 775 HG22 VAL 94 HG22 VAL 94 -8.677 0.382 -5.267 776 HG23 VAL 94 HG23 VAL 94 -10.242 0.521 -6.064 777 H THR 95 H THR 95 -12.195 3.751 -4.048 778 HA THR 95 HA THR 95 -12.404 4.379 -1.219 779 HB THR 95 HB THR 95 -12.698 6.717 -1.917 780 HG1 THR 95 HG1 THR 95 -12.405 6.305 -4.630 781 HG21 THR 95 HG21 THR 95 -10.592 7.058 -3.156 782 HG22 THR 95 HG22 THR 95 -10.553 5.348 -3.591 783 HG23 THR 95 HG23 THR 95 -10.386 5.835 -1.901 784 H GLY 96 H GLY 96 -14.618 3.813 -3.877 785 HA2 GLY 96 HA3 GLY 96 -16.900 3.237 -3.646 786 HA3 GLY 96 HA2 GLY 96 -16.960 4.051 -2.094 787 H LYS 97 H LYS 97 -15.395 6.121 -4.176 788 HA LYS 97 HA LYS 97 -17.765 7.817 -4.508 789 HB2 LYS 97 HB3 LYS 97 -14.817 8.349 -5.067 790 HB3 LYS 97 HB2 LYS 97 -16.102 9.550 -5.206 791 HG2 LYS 97 HG3 LYS 97 -16.576 9.300 -2.775 792 HG3 LYS 97 HG2 LYS 97 -15.249 8.140 -2.648 793 HD2 LYS 97 HD3 LYS 97 -14.979 11.060 -3.483 794 HD3 LYS 97 HD2 LYS 97 -14.598 10.415 -1.886 795 HE2 LYS 97 HE3 LYS 97 -12.820 9.003 -2.890 796 HE3 LYS 97 HE2 LYS 97 -13.204 9.663 -4.482 797 HZ1 LYS 97 HZ1 LYS 97 -12.214 11.210 -2.155 798 HZ2 LYS 97 HZ2 LYS 97 -12.580 11.854 -3.673 799 HZ3 LYS 97 HZ3 LYS 97 -11.306 10.760 -3.505 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 9.361 1.409 21.498 2 H2 MET 1 HT2 MET 1 10.366 2.656 22.040 3 H3 MET 1 HT3 MET 1 9.746 2.692 20.462 4 HA MET 1 HA MET 1 8.161 2.873 22.961 5 HB2 MET 1 HB2 MET 1 8.790 5.014 20.876 6 HB3 MET 1 HB1 MET 1 7.743 5.234 22.273 7 HG2 MET 1 HG2 MET 1 9.651 4.903 23.776 8 HG3 MET 1 HG1 MET 1 10.710 4.626 22.394 9 HE1 MET 1 HE1 MET 1 9.670 6.858 20.313 10 HE2 MET 1 HE2 MET 1 11.381 6.571 20.632 11 HE3 MET 1 HE3 MET 1 10.728 8.208 20.718 12 H SER 2 H SER 2 5.885 3.347 22.594 13 HA SER 2 HA SER 2 4.576 1.742 20.711 14 HB2 SER 2 HB3 SER 2 3.498 4.146 22.252 15 HB3 SER 2 HB2 SER 2 2.489 2.994 21.372 16 HG SER 2 HG SER 2 2.506 1.979 23.208 17 H ASP 3 H ASP 3 3.772 2.050 18.669 18 HA ASP 3 HA ASP 3 4.646 4.248 17.066 19 HB2 ASP 3 HB3 ASP 3 2.625 2.049 16.440 20 HB3 ASP 3 HB2 ASP 3 3.303 3.163 15.253 21 H TYR 4 H TYR 4 3.881 6.147 17.816 22 HA TYR 4 HA TYR 4 1.316 6.668 18.868 23 HB2 TYR 4 HB2 TYR 4 2.017 9.022 18.952 24 HB3 TYR 4 HB1 TYR 4 3.319 7.973 19.493 25 HD1 TYR 4 HD1 TYR 4 5.359 7.640 18.038 26 HD2 TYR 4 HD2 TYR 4 2.281 10.406 16.938 27 HE1 TYR 4 HE1 TYR 4 6.883 8.710 16.428 28 HE2 TYR 4 HE2 TYR 4 3.809 11.461 15.333 29 HH TYR 4 HH TYR 4 6.200 11.709 14.951 30 H GLU 5 H GLU 5 2.384 6.607 15.576 31 HA GLU 5 HA GLU 5 0.328 8.217 14.407 32 HB2 GLU 5 HB3 GLU 5 0.967 7.117 12.288 33 HB3 GLU 5 HB2 GLU 5 2.372 7.672 13.185 34 HG2 GLU 5 HG3 GLU 5 2.656 5.272 14.011 35 HG3 GLU 5 HG2 GLU 5 1.408 4.810 12.852 36 H ASN 6 H ASN 6 0.550 4.816 15.331 37 HA ASN 6 HA ASN 6 -0.863 3.026 15.399 38 HB2 ASN 6 HB3 ASN 6 -3.032 5.151 15.732 39 HB3 ASN 6 HB2 ASN 6 -3.138 3.464 16.242 40 HD21 ASN 6 HD21 ASN 6 -1.844 6.589 16.983 41 HD22 ASN 6 HD22 ASN 6 -1.262 6.207 18.557 42 H ASP 7 H ASP 7 -0.342 3.954 12.680 43 HA ASP 7 HA ASP 7 -2.885 4.435 11.388 44 HB2 ASP 7 HB3 ASP 7 -0.600 5.726 10.985 45 HB3 ASP 7 HB2 ASP 7 -0.265 4.406 9.871 46 H ASP 8 H ASP 8 -3.626 2.226 11.819 47 HA ASP 8 HA ASP 8 -2.852 0.288 9.722 48 HB2 ASP 8 HB3 ASP 8 -4.407 -0.166 12.308 49 HB3 ASP 8 HB2 ASP 8 -3.905 -1.416 11.166 50 H GLU 9 H GLU 9 -5.413 2.325 10.871 51 HA GLU 9 HA GLU 9 -7.732 1.269 9.806 52 HB2 GLU 9 HB3 GLU 9 -8.327 3.900 9.487 53 HB3 GLU 9 HB2 GLU 9 -8.301 3.108 11.044 54 HG2 GLU 9 HG3 GLU 9 -7.243 5.300 11.185 55 HG3 GLU 9 HG2 GLU 9 -6.097 4.009 11.527 56 H CYS 10 H CYS 10 -5.188 2.882 8.067 57 HA CYS 10 HA CYS 10 -6.585 3.441 5.639 58 HB2 CYS 10 HB3 CYS 10 -3.634 3.344 6.374 59 HB3 CYS 10 HB2 CYS 10 -4.236 3.912 4.813 60 H TRP 11 H TRP 11 -4.001 1.145 6.461 61 HA TRP 11 HA TRP 11 -3.947 -0.062 3.880 62 HB2 TRP 11 HB2 TRP 11 -2.591 -0.924 6.470 63 HB3 TRP 11 HB1 TRP 11 -2.162 -1.473 4.848 64 HD1 TRP 11 HD1 TRP 11 -1.522 1.382 7.264 65 HE1 TRP 11 HE1 TRP 11 -0.013 3.140 6.151 66 HE3 TRP 11 HE3 TRP 11 -1.603 -0.385 2.446 67 HZ2 TRP 11 HZ2 TRP 11 0.987 3.718 3.583 68 HZ3 TRP 11 HZ3 TRP 11 -0.345 0.839 0.717 69 HH2 TRP 11 HH2 TRP 11 0.925 2.850 1.283 70 H SER 12 H SER 12 -5.494 -0.893 6.921 71 HA SER 12 HA SER 12 -6.194 -3.579 6.466 72 HB2 SER 12 HB3 SER 12 -6.502 -2.458 8.648 73 HB3 SER 12 HB2 SER 12 -7.777 -1.449 7.966 74 HG SER 12 HG SER 12 -9.115 -3.014 8.338 75 H VAL 13 H VAL 13 -7.958 -0.596 5.562 76 HA VAL 13 HA VAL 13 -10.179 -1.863 4.290 77 HB VAL 13 HB VAL 13 -9.076 0.955 3.876 78 HG11 VAL 13 HG11 VAL 13 -11.795 -0.173 3.087 79 HG12 VAL 13 HG12 VAL 13 -10.521 0.343 1.982 80 HG13 VAL 13 HG13 VAL 13 -11.338 1.529 2.998 81 HG21 VAL 13 HG21 VAL 13 -10.849 1.670 5.452 82 HG22 VAL 13 HG22 VAL 13 -9.725 0.545 6.218 83 HG23 VAL 13 HG23 VAL 13 -11.316 -0.015 5.697 84 H LEU 14 H LEU 14 -7.109 -0.535 3.035 85 HA LEU 14 HA LEU 14 -7.508 -1.014 0.296 86 HB2 LEU 14 HB3 LEU 14 -4.881 -1.053 1.826 87 HB3 LEU 14 HB2 LEU 14 -5.040 -0.913 0.080 88 HG LEU 14 HG LEU 14 -5.957 1.150 2.127 89 HD11 LEU 14 HD11 LEU 14 -3.676 1.268 0.132 90 HD12 LEU 14 HD12 LEU 14 -3.528 1.094 1.883 91 HD13 LEU 14 HD13 LEU 14 -4.190 2.577 1.201 92 HD21 LEU 14 HD21 LEU 14 -6.484 2.608 0.210 93 HD22 LEU 14 HD22 LEU 14 -7.492 1.165 0.221 94 HD23 LEU 14 HD23 LEU 14 -6.137 1.283 -0.905 95 H GLU 15 H GLU 15 -6.288 -3.178 2.854 96 HA GLU 15 HA GLU 15 -5.536 -5.349 1.214 97 HB2 GLU 15 HB3 GLU 15 -6.342 -5.261 4.131 98 HB3 GLU 15 HB2 GLU 15 -5.818 -6.745 3.336 99 HG2 GLU 15 HG3 GLU 15 -3.635 -5.699 2.819 100 HG3 GLU 15 HG2 GLU 15 -4.156 -4.219 3.624 101 H GLY 16 H GLY 16 -8.676 -4.415 2.547 102 HA2 GLY 16 HA3 GLY 16 -10.219 -6.668 1.835 103 HA3 GLY 16 HA2 GLY 16 -10.812 -5.019 1.939 104 H PHE 17 H PHE 17 -8.778 -4.210 -0.188 105 HA PHE 17 HA PHE 17 -10.147 -5.268 -2.606 106 HB2 PHE 17 HB2 PHE 17 -8.688 -2.618 -2.158 107 HB3 PHE 17 HB1 PHE 17 -9.341 -3.143 -3.706 108 HD1 PHE 17 HD1 PHE 17 -11.768 -3.192 -4.108 109 HD2 PHE 17 HD2 PHE 17 -10.182 -1.814 -0.379 110 HE1 PHE 17 HE1 PHE 17 -13.933 -2.168 -3.558 111 HE2 PHE 17 HE2 PHE 17 -12.357 -0.788 0.160 112 HZ PHE 17 HZ PHE 17 -14.233 -0.968 -1.432 113 H ARG 18 H ARG 18 -7.467 -6.089 -0.979 114 HA ARG 18 HA ARG 18 -5.225 -5.142 -2.359 115 HB2 ARG 18 HB3 ARG 18 -5.321 -6.238 -0.084 116 HB3 ARG 18 HB2 ARG 18 -5.322 -7.791 -0.893 117 HG2 ARG 18 HG3 ARG 18 -3.093 -7.371 -1.789 118 HG3 ARG 18 HG2 ARG 18 -3.116 -5.721 -1.161 119 HD2 ARG 18 HD3 ARG 18 -3.296 -6.652 1.153 120 HD3 ARG 18 HD2 ARG 18 -3.129 -8.276 0.483 121 HE ARG 18 HE ARG 18 -0.896 -7.115 -0.424 122 HH11 ARG 18 HH11 ARG 18 -2.280 -7.079 2.750 123 HH12 ARG 18 HH12 ARG 18 -0.747 -6.956 3.529 124 HH21 ARG 18 HH21 ARG 18 1.068 -6.989 0.637 125 HH22 ARG 18 HH22 ARG 18 1.103 -6.910 2.362 126 H VAL 19 H VAL 19 -6.863 -8.302 -2.824 127 HA VAL 19 HA VAL 19 -5.113 -9.316 -4.785 128 HB VAL 19 HB VAL 19 -6.961 -10.893 -5.413 129 HG11 VAL 19 HG11 VAL 19 -7.107 -12.027 -3.212 130 HG12 VAL 19 HG12 VAL 19 -6.529 -10.561 -2.418 131 HG13 VAL 19 HG13 VAL 19 -5.470 -11.438 -3.524 132 HG21 VAL 19 HG21 VAL 19 -8.618 -9.314 -3.403 133 HG22 VAL 19 HG22 VAL 19 -9.105 -10.830 -4.166 134 HG23 VAL 19 HG23 VAL 19 -8.896 -9.376 -5.144 135 H THR 20 H THR 20 -7.803 -7.062 -5.151 136 HA THR 20 HA THR 20 -7.779 -7.106 -8.061 137 HB THR 20 HB THR 20 -9.171 -5.200 -6.130 138 HG1 THR 20 HG1 THR 20 -9.920 -7.607 -7.421 139 HG21 THR 20 HG21 THR 20 -9.623 -5.555 -9.123 140 HG22 THR 20 HG22 THR 20 -8.904 -4.135 -8.357 141 HG23 THR 20 HG23 THR 20 -10.591 -4.551 -8.048 142 H LEU 21 H LEU 21 -6.631 -4.872 -5.501 143 HA LEU 21 HA LEU 21 -5.563 -2.785 -6.991 144 HB2 LEU 21 HB3 LEU 21 -4.462 -4.023 -4.439 145 HB3 LEU 21 HB2 LEU 21 -3.930 -2.480 -5.089 146 HG LEU 21 HG LEU 21 -6.748 -3.080 -4.098 147 HD11 LEU 21 HD11 LEU 21 -6.187 -1.622 -2.194 148 HD12 LEU 21 HD12 LEU 21 -4.528 -1.487 -2.778 149 HD13 LEU 21 HD13 LEU 21 -5.154 -3.050 -2.247 150 HD21 LEU 21 HD21 LEU 21 -7.118 -0.647 -4.292 151 HD22 LEU 21 HD22 LEU 21 -6.776 -1.378 -5.856 152 HD23 LEU 21 HD23 LEU 21 -5.520 -0.459 -5.023 153 H THR 22 H THR 22 -3.957 -5.776 -5.970 154 HA THR 22 HA THR 22 -1.448 -5.359 -7.189 155 HB THR 22 HB THR 22 -1.083 -7.792 -6.803 156 HG1 THR 22 HG1 THR 22 -3.468 -8.237 -5.510 157 HG21 THR 22 HG21 THR 22 -0.762 -6.243 -4.916 158 HG22 THR 22 HG22 THR 22 -1.389 -7.794 -4.352 159 HG23 THR 22 HG23 THR 22 -2.465 -6.402 -4.481 160 H SER 23 H SER 23 -4.427 -6.780 -8.392 161 HA SER 23 HA SER 23 -3.333 -7.914 -10.801 162 HB2 SER 23 HB3 SER 23 -5.370 -8.814 -9.682 163 HB3 SER 23 HB2 SER 23 -6.242 -7.342 -10.096 164 HG SER 23 HG SER 23 -5.422 -8.057 -12.378 165 H VAL 24 H VAL 24 -4.808 -4.781 -9.996 166 HA VAL 24 HA VAL 24 -5.106 -4.007 -12.822 167 HB VAL 24 HB VAL 24 -5.834 -2.450 -10.304 168 HG11 VAL 24 HG11 VAL 24 -5.457 -0.918 -12.203 169 HG12 VAL 24 HG12 VAL 24 -7.173 -0.987 -11.802 170 HG13 VAL 24 HG13 VAL 24 -6.560 -1.865 -13.204 171 HG21 VAL 24 HG21 VAL 24 -7.634 -4.029 -12.181 172 HG22 VAL 24 HG22 VAL 24 -8.174 -3.075 -10.797 173 HG23 VAL 24 HG23 VAL 24 -7.181 -4.511 -10.546 174 H ILE 25 H ILE 25 -3.173 -2.967 -10.000 175 HA ILE 25 HA ILE 25 -2.198 -0.556 -11.257 176 HB ILE 25 HB ILE 25 -1.276 -1.904 -8.683 177 HG12 ILE 25 HG12 ILE 25 -3.201 0.443 -8.984 178 HG13 ILE 25 HG11 ILE 25 -3.723 -1.224 -8.754 179 HG21 ILE 25 HG21 ILE 25 -0.334 0.309 -8.048 180 HG22 ILE 25 HG22 ILE 25 -0.761 0.944 -9.635 181 HG23 ILE 25 HG23 ILE 25 0.447 -0.334 -9.496 182 HD11 ILE 25 HD11 ILE 25 -2.065 0.384 -6.820 183 HD12 ILE 25 HD12 ILE 25 -2.607 -1.281 -6.590 184 HD13 ILE 25 HD13 ILE 25 -3.785 0.027 -6.686 185 H ASP 26 H ASP 26 -0.415 -0.320 -12.493 186 HA ASP 26 HA ASP 26 1.765 -2.272 -12.492 187 HB2 ASP 26 HB3 ASP 26 1.263 0.269 -14.081 188 HB3 ASP 26 HB2 ASP 26 2.777 -0.627 -14.175 189 HA PRO 27 HA PRO 27 3.419 0.346 -9.090 190 HB2 PRO 27 HB3 PRO 27 5.300 -1.409 -8.177 191 HB3 PRO 27 HB2 PRO 27 3.577 -1.613 -7.827 192 HG2 PRO 27 HG3 PRO 27 5.253 -2.968 -9.939 193 HG3 PRO 27 HG2 PRO 27 4.055 -3.681 -8.835 194 HD2 PRO 27 HD3 PRO 27 3.485 -3.054 -11.440 195 HD3 PRO 27 HD2 PRO 27 2.259 -3.014 -10.153 196 H SER 28 H SER 28 5.155 -1.226 -11.665 197 HA SER 28 HA SER 28 7.655 0.121 -11.553 198 HB2 SER 28 HB3 SER 28 7.858 -0.842 -13.899 199 HB3 SER 28 HB2 SER 28 7.450 -2.027 -12.655 200 HG SER 28 HG SER 28 6.071 -1.369 -14.858 201 H ARG 29 H ARG 29 4.661 0.646 -13.387 202 HA ARG 29 HA ARG 29 5.492 2.798 -15.007 203 HB2 ARG 29 HB3 ARG 29 3.393 1.360 -15.243 204 HB3 ARG 29 HB2 ARG 29 2.674 2.311 -13.953 205 HG2 ARG 29 HG3 ARG 29 1.854 3.130 -16.062 206 HG3 ARG 29 HG2 ARG 29 2.933 4.354 -15.384 207 HD2 ARG 29 HD3 ARG 29 3.297 4.061 -17.806 208 HD3 ARG 29 HD2 ARG 29 4.739 3.622 -16.888 209 HE ARG 29 HE ARG 29 3.368 1.263 -17.244 210 HH11 ARG 29 HH11 ARG 29 4.675 3.610 -19.415 211 HH12 ARG 29 HH12 ARG 29 5.009 2.432 -20.631 212 HH21 ARG 29 HH21 ARG 29 3.823 -0.208 -18.814 213 HH22 ARG 29 HH22 ARG 29 4.549 0.312 -20.292 214 H ILE 30 H ILE 30 4.451 2.667 -11.660 215 HA ILE 30 HA ILE 30 4.168 5.602 -11.491 216 HB ILE 30 HB ILE 30 2.883 5.308 -9.483 217 HG12 ILE 30 HG12 ILE 30 3.506 2.315 -9.540 218 HG13 ILE 30 HG11 ILE 30 4.268 3.462 -8.447 219 HG21 ILE 30 HG21 ILE 30 0.986 3.910 -10.252 220 HG22 ILE 30 HG22 ILE 30 2.023 3.151 -11.461 221 HG23 ILE 30 HG23 ILE 30 1.648 4.870 -11.579 222 HD11 ILE 30 HD11 ILE 30 2.041 3.953 -7.482 223 HD12 ILE 30 HD12 ILE 30 2.558 2.274 -7.287 224 HD13 ILE 30 HD13 ILE 30 1.358 2.686 -8.513 225 H THR 31 H THR 31 6.721 3.496 -11.070 226 HA THR 31 HA THR 31 7.724 4.099 -8.516 227 HB THR 31 HB THR 31 10.061 3.592 -9.379 228 HG1 THR 31 HG1 THR 31 10.313 3.796 -11.445 229 HG21 THR 31 HG21 THR 31 9.667 1.204 -9.762 230 HG22 THR 31 HG22 THR 31 7.955 1.524 -10.041 231 HG23 THR 31 HG23 THR 31 8.655 1.808 -8.447 232 HA PRO 32 HA PRO 32 10.216 7.961 -10.371 233 HB2 PRO 32 HB3 PRO 32 8.905 9.339 -12.405 234 HB3 PRO 32 HB2 PRO 32 10.202 8.168 -12.680 235 HG2 PRO 32 HG3 PRO 32 7.217 7.747 -12.825 236 HG3 PRO 32 HG2 PRO 32 8.477 7.202 -13.954 237 HD2 PRO 32 HD3 PRO 32 7.436 5.505 -12.161 238 HD3 PRO 32 HD2 PRO 32 9.171 5.456 -12.541 239 H TYR 33 H TYR 33 6.684 7.855 -10.543 240 HA TYR 33 HA TYR 33 6.065 10.387 -9.464 241 HB2 TYR 33 HB2 TYR 33 4.428 9.066 -10.725 242 HB3 TYR 33 HB1 TYR 33 4.482 7.785 -9.520 243 HD1 TYR 33 HD1 TYR 33 2.690 7.719 -7.957 244 HD2 TYR 33 HD2 TYR 33 3.816 11.479 -9.693 245 HE1 TYR 33 HE1 TYR 33 0.879 8.855 -6.728 246 HE2 TYR 33 HE2 TYR 33 2.006 12.586 -8.472 247 HH TYR 33 HH TYR 33 0.398 11.190 -5.925 248 H LEU 34 H LEU 34 6.313 7.167 -7.918 249 HA LEU 34 HA LEU 34 5.629 8.024 -5.288 250 HB2 LEU 34 HB3 LEU 34 7.101 5.532 -6.190 251 HB3 LEU 34 HB2 LEU 34 6.491 5.799 -4.566 252 HG LEU 34 HG LEU 34 4.838 5.408 -7.088 253 HD11 LEU 34 HD11 LEU 34 4.061 3.362 -5.947 254 HD12 LEU 34 HD12 LEU 34 5.144 3.697 -4.595 255 HD13 LEU 34 HD13 LEU 34 5.807 3.351 -6.194 256 HD21 LEU 34 HD21 LEU 34 2.827 5.548 -5.657 257 HD22 LEU 34 HD22 LEU 34 3.704 7.076 -5.682 258 HD23 LEU 34 HD23 LEU 34 3.830 6.012 -4.279 259 H ARG 35 H ARG 35 8.767 7.606 -6.937 260 HA ARG 35 HA ARG 35 10.466 8.147 -4.716 261 HB2 ARG 35 HB3 ARG 35 10.946 8.632 -7.687 262 HB3 ARG 35 HB2 ARG 35 12.191 8.793 -6.451 263 HG2 ARG 35 HG3 ARG 35 10.733 6.242 -7.208 264 HG3 ARG 35 HG2 ARG 35 12.398 6.662 -7.616 265 HD2 ARG 35 HD3 ARG 35 11.281 6.097 -4.846 266 HD3 ARG 35 HD2 ARG 35 12.397 5.086 -5.764 267 HE ARG 35 HE ARG 35 13.005 7.564 -4.334 268 HH11 ARG 35 HH11 ARG 35 14.242 5.163 -6.481 269 HH12 ARG 35 HH12 ARG 35 15.877 5.435 -5.992 270 HH21 ARG 35 HH21 ARG 35 15.081 7.881 -3.720 271 HH22 ARG 35 HH22 ARG 35 16.342 6.938 -4.438 272 H GLN 36 H GLN 36 9.133 10.286 -7.253 273 HA GLN 36 HA GLN 36 10.114 12.757 -6.316 274 HB2 GLN 36 HB3 GLN 36 9.092 12.340 -8.560 275 HB3 GLN 36 HB2 GLN 36 7.515 12.195 -7.796 276 HG2 GLN 36 HG3 GLN 36 7.648 14.557 -7.071 277 HG3 GLN 36 HG2 GLN 36 9.228 14.699 -7.846 278 HE21 GLN 36 HE21 GLN 36 5.803 14.353 -8.387 279 HE22 GLN 36 HE22 GLN 36 5.816 14.795 -10.052 280 H CYS 37 H CYS 37 7.247 10.919 -5.388 281 HA CYS 37 HA CYS 37 6.156 12.877 -3.566 282 HB2 CYS 37 HB3 CYS 37 4.714 11.211 -4.697 283 HB3 CYS 37 HB2 CYS 37 5.551 9.908 -3.862 284 HG CYS 37 HG CYS 37 4.711 11.032 -1.293 285 H LYS 38 H LYS 38 8.782 10.712 -3.365 286 HA LYS 38 HA LYS 38 10.202 10.016 -1.778 287 HB2 LYS 38 HB3 LYS 38 8.969 12.357 -0.296 288 HB3 LYS 38 HB2 LYS 38 10.274 11.410 0.415 289 HG2 LYS 38 HG3 LYS 38 10.433 12.931 -2.220 290 HG3 LYS 38 HG2 LYS 38 11.121 13.456 -0.676 291 HD2 LYS 38 HD3 LYS 38 12.593 11.474 -0.647 292 HD3 LYS 38 HD2 LYS 38 11.890 10.911 -2.162 293 HE2 LYS 38 HE3 LYS 38 12.795 12.903 -3.312 294 HE3 LYS 38 HE2 LYS 38 13.506 13.456 -1.792 295 HZ1 LYS 38 HZ1 LYS 38 14.832 11.438 -1.729 296 HZ2 LYS 38 HZ2 LYS 38 15.128 12.311 -3.142 297 HZ3 LYS 38 HZ3 LYS 38 14.166 10.920 -3.195 298 H VAL 39 H VAL 39 7.384 8.862 -1.800 299 HA VAL 39 HA VAL 39 7.304 7.622 0.870 300 HB VAL 39 HB VAL 39 5.231 6.477 0.088 301 HG11 VAL 39 HG11 VAL 39 5.187 9.498 -0.332 302 HG12 VAL 39 HG12 VAL 39 5.051 8.668 1.220 303 HG13 VAL 39 HG13 VAL 39 3.783 8.484 0.010 304 HG21 VAL 39 HG21 VAL 39 5.743 6.292 -2.323 305 HG22 VAL 39 HG22 VAL 39 5.624 8.042 -2.501 306 HG23 VAL 39 HG23 VAL 39 4.190 7.100 -2.085 307 H LEU 40 H LEU 40 8.531 6.963 -2.295 308 HA LEU 40 HA LEU 40 8.891 4.072 -1.774 309 HB2 LEU 40 HB3 LEU 40 7.958 4.962 -3.984 310 HB3 LEU 40 HB2 LEU 40 9.550 5.612 -4.314 311 HG LEU 40 HG LEU 40 10.449 3.230 -4.161 312 HD11 LEU 40 HD11 LEU 40 7.502 2.511 -4.192 313 HD12 LEU 40 HD12 LEU 40 8.630 2.238 -2.862 314 HD13 LEU 40 HD13 LEU 40 8.845 1.382 -4.386 315 HD21 LEU 40 HD21 LEU 40 10.061 4.301 -6.344 316 HD22 LEU 40 HD22 LEU 40 8.387 3.742 -6.333 317 HD23 LEU 40 HD23 LEU 40 9.710 2.574 -6.410 318 H ASN 41 H ASN 41 10.923 3.154 -1.585 319 HA ASN 41 HA ASN 41 13.291 4.934 -1.395 320 HB2 ASN 41 HB3 ASN 41 12.768 2.142 -0.267 321 HB3 ASN 41 HB2 ASN 41 14.282 3.023 -0.076 322 HD21 ASN 41 HD21 ASN 41 10.901 2.931 0.799 323 HD22 ASN 41 HD22 ASN 41 11.022 3.994 2.156 324 HA PRO 42 HA PRO 42 15.269 3.236 -5.057 325 HB2 PRO 42 HB3 PRO 42 17.890 2.787 -4.254 326 HB3 PRO 42 HB2 PRO 42 17.221 4.392 -4.585 327 HG2 PRO 42 HG3 PRO 42 17.508 2.980 -1.924 328 HG3 PRO 42 HG2 PRO 42 17.966 4.644 -2.360 329 HD2 PRO 42 HD3 PRO 42 15.677 4.178 -1.062 330 HD3 PRO 42 HD2 PRO 42 15.729 5.390 -2.365 331 H ASP 43 H ASP 43 15.731 1.318 -2.121 332 HA ASP 43 HA ASP 43 16.380 -1.145 -3.475 333 HB2 ASP 43 HB3 ASP 43 16.105 -2.164 -1.179 334 HB3 ASP 43 HB2 ASP 43 17.270 -0.849 -1.271 335 H ASP 44 H ASP 44 13.400 0.285 -2.159 336 HA ASP 44 HA ASP 44 11.619 -1.861 -2.673 337 HB2 ASP 44 HB3 ASP 44 10.982 1.109 -2.904 338 HB3 ASP 44 HB2 ASP 44 9.831 -0.192 -2.626 339 H GLU 45 H GLU 45 12.612 0.911 -4.620 340 HA GLU 45 HA GLU 45 11.290 0.477 -7.041 341 HB2 GLU 45 HB3 GLU 45 12.518 2.537 -6.386 342 HB3 GLU 45 HB2 GLU 45 14.042 1.667 -6.500 343 HG2 GLU 45 HG3 GLU 45 13.542 1.334 -8.971 344 HG3 GLU 45 HG2 GLU 45 12.181 2.439 -8.765 345 H GLU 46 H GLU 46 14.452 -0.703 -5.914 346 HA GLU 46 HA GLU 46 15.292 -2.133 -8.186 347 HB2 GLU 46 HB3 GLU 46 16.768 -1.484 -6.301 348 HB3 GLU 46 HB2 GLU 46 15.935 -2.615 -5.247 349 HG2 GLU 46 HG3 GLU 46 18.107 -3.488 -5.963 350 HG3 GLU 46 HG2 GLU 46 16.787 -4.504 -6.538 351 H GLN 47 H GLN 47 13.349 -3.166 -5.381 352 HA GLN 47 HA GLN 47 12.984 -5.889 -6.053 353 HB2 GLN 47 HB3 GLN 47 12.436 -5.129 -3.821 354 HB3 GLN 47 HB2 GLN 47 11.279 -3.959 -4.431 355 HG2 GLN 47 HG3 GLN 47 10.141 -5.852 -3.384 356 HG3 GLN 47 HG2 GLN 47 9.760 -5.777 -5.101 357 HE21 GLN 47 HE21 GLN 47 11.465 -7.552 -2.623 358 HE22 GLN 47 HE22 GLN 47 11.714 -8.988 -3.544 359 H VAL 48 H VAL 48 10.917 -3.048 -6.727 360 HA VAL 48 HA VAL 48 8.821 -4.358 -8.057 361 HB VAL 48 HB VAL 48 9.798 -1.480 -8.256 362 HG11 VAL 48 HG11 VAL 48 7.582 -0.921 -9.229 363 HG12 VAL 48 HG12 VAL 48 7.205 -2.642 -9.331 364 HG13 VAL 48 HG13 VAL 48 8.527 -1.972 -10.287 365 HG21 VAL 48 HG21 VAL 48 7.469 -2.689 -6.705 366 HG22 VAL 48 HG22 VAL 48 7.901 -0.977 -6.745 367 HG23 VAL 48 HG23 VAL 48 8.997 -2.148 -6.010 368 H LEU 49 H LEU 49 11.708 -2.770 -9.440 369 HA LEU 49 HA LEU 49 10.933 -3.358 -12.192 370 HB2 LEU 49 HB3 LEU 49 13.423 -1.998 -11.095 371 HB3 LEU 49 HB2 LEU 49 12.944 -2.044 -12.787 372 HG LEU 49 HG LEU 49 11.424 -0.620 -10.558 373 HD11 LEU 49 HD11 LEU 49 13.067 0.543 -12.827 374 HD12 LEU 49 HD12 LEU 49 13.512 0.528 -11.118 375 HD13 LEU 49 HD13 LEU 49 12.116 1.459 -11.653 376 HD21 LEU 49 HD21 LEU 49 10.019 0.312 -12.356 377 HD22 LEU 49 HD22 LEU 49 9.880 -1.441 -12.268 378 HD23 LEU 49 HD23 LEU 49 10.852 -0.698 -13.541 379 H SER 50 H SER 50 12.243 -5.370 -9.980 380 HA SER 50 HA SER 50 14.759 -6.183 -10.957 381 HB2 SER 50 HB3 SER 50 14.520 -8.141 -9.497 382 HB3 SER 50 HB2 SER 50 13.885 -6.717 -8.678 383 HG SER 50 HG SER 50 12.476 -8.867 -9.844 384 H ASP 51 H ASP 51 11.526 -7.405 -11.735 385 HA ASP 51 HA ASP 51 12.498 -9.619 -13.334 386 HB2 ASP 51 HB3 ASP 51 9.765 -8.591 -12.533 387 HB3 ASP 51 HB2 ASP 51 9.917 -9.832 -13.773 388 HA PRO 52 HA PRO 52 12.826 -7.391 -17.146 389 HB2 PRO 52 HB3 PRO 52 13.228 -9.416 -18.881 390 HB3 PRO 52 HB2 PRO 52 14.354 -9.121 -17.546 391 HG2 PRO 52 HG3 PRO 52 12.116 -11.146 -17.722 392 HG3 PRO 52 HG2 PRO 52 13.791 -11.382 -17.172 393 HD2 PRO 52 HD3 PRO 52 11.666 -10.964 -15.460 394 HD3 PRO 52 HD2 PRO 52 13.343 -10.540 -15.059 395 H ASN 53 H ASN 53 10.069 -9.533 -16.823 396 HA ASN 53 HA ASN 53 8.871 -8.590 -19.380 397 HB2 ASN 53 HB3 ASN 53 8.060 -10.970 -17.654 398 HB3 ASN 53 HB2 ASN 53 7.321 -10.516 -19.189 399 HD21 ASN 53 HD21 ASN 53 10.095 -11.957 -17.680 400 HD22 ASN 53 HD22 ASN 53 10.812 -12.559 -19.128 401 H LEU 54 H LEU 54 8.676 -8.318 -15.981 402 HA LEU 54 HA LEU 54 7.412 -7.179 -14.533 403 HB2 LEU 54 HB3 LEU 54 6.480 -5.760 -17.054 404 HB3 LEU 54 HB2 LEU 54 5.945 -5.278 -15.453 405 HG LEU 54 HG LEU 54 8.384 -4.864 -14.850 406 HD11 LEU 54 HD11 LEU 54 10.033 -4.519 -16.627 407 HD12 LEU 54 HD12 LEU 54 8.887 -5.135 -17.821 408 HD13 LEU 54 HD13 LEU 54 9.503 -6.201 -16.558 409 HD21 LEU 54 HD21 LEU 54 6.850 -3.023 -15.417 410 HD22 LEU 54 HD22 LEU 54 7.281 -3.183 -17.121 411 HD23 LEU 54 HD23 LEU 54 8.497 -2.681 -15.944 412 H VAL 55 H VAL 55 6.305 -9.670 -15.925 413 HA VAL 55 HA VAL 55 3.440 -9.579 -15.762 414 HB VAL 55 HB VAL 55 5.347 -11.967 -15.662 415 HG11 VAL 55 HG11 VAL 55 3.414 -13.374 -16.324 416 HG12 VAL 55 HG12 VAL 55 2.346 -11.977 -16.186 417 HG13 VAL 55 HG13 VAL 55 3.150 -12.615 -14.751 418 HG21 VAL 55 HG21 VAL 55 3.831 -10.798 -18.032 419 HG22 VAL 55 HG22 VAL 55 4.841 -12.247 -18.067 420 HG23 VAL 55 HG23 VAL 55 5.570 -10.672 -17.749 421 H ILE 56 H ILE 56 6.016 -10.166 -13.499 422 HA ILE 56 HA ILE 56 4.444 -11.302 -11.359 423 HB ILE 56 HB ILE 56 7.273 -10.159 -11.250 424 HG12 ILE 56 HG12 ILE 56 7.127 -11.842 -13.055 425 HG13 ILE 56 HG11 ILE 56 8.090 -12.462 -11.723 426 HG21 ILE 56 HG21 ILE 56 6.391 -10.564 -9.000 427 HG22 ILE 56 HG22 ILE 56 7.649 -11.743 -9.369 428 HG23 ILE 56 HG23 ILE 56 5.950 -12.216 -9.438 429 HD11 ILE 56 HD11 ILE 56 5.224 -13.207 -12.343 430 HD12 ILE 56 HD12 ILE 56 6.177 -13.826 -10.990 431 HD13 ILE 56 HD13 ILE 56 6.663 -14.181 -12.645 432 H ARG 57 H ARG 57 4.296 -8.287 -12.560 433 HA ARG 57 HA ARG 57 4.449 -6.335 -10.650 434 HB2 ARG 57 HB3 ARG 57 2.574 -5.200 -11.876 435 HB3 ARG 57 HB2 ARG 57 3.827 -5.842 -12.933 436 HG2 ARG 57 HG3 ARG 57 2.366 -7.863 -13.325 437 HG3 ARG 57 HG2 ARG 57 1.086 -7.041 -12.431 438 HD2 ARG 57 HD3 ARG 57 2.407 -5.880 -14.903 439 HD3 ARG 57 HD2 ARG 57 0.952 -6.868 -14.963 440 HE ARG 57 HE ARG 57 1.179 -4.115 -14.131 441 HH11 ARG 57 HH11 ARG 57 -0.821 -6.935 -13.895 442 HH12 ARG 57 HH12 ARG 57 -2.267 -6.012 -13.708 443 HH21 ARG 57 HH21 ARG 57 -0.683 -2.977 -13.929 444 HH22 ARG 57 HH22 ARG 57 -2.186 -3.801 -13.722 445 H LYS 58 H LYS 58 2.005 -8.882 -10.757 446 HA LYS 58 HA LYS 58 0.157 -7.781 -8.909 447 HB2 LYS 58 HB3 LYS 58 -0.334 -9.650 -10.499 448 HB3 LYS 58 HB2 LYS 58 0.681 -10.716 -9.532 449 HG2 LYS 58 HG3 LYS 58 -0.853 -10.549 -7.646 450 HG3 LYS 58 HG2 LYS 58 -1.806 -9.322 -8.484 451 HD2 LYS 58 HD3 LYS 58 -2.963 -11.462 -8.619 452 HD3 LYS 58 HD2 LYS 58 -2.411 -10.997 -10.228 453 HE2 LYS 58 HE3 LYS 58 -2.026 -13.385 -9.860 454 HE3 LYS 58 HE2 LYS 58 -0.477 -12.552 -9.986 455 HZ1 LYS 58 HZ1 LYS 58 -1.798 -13.330 -7.440 456 HZ2 LYS 58 HZ2 LYS 58 -0.272 -12.608 -7.592 457 HZ3 LYS 58 HZ3 LYS 58 -0.531 -14.170 -8.183 458 H ARG 59 H ARG 59 2.823 -10.154 -8.412 459 HA ARG 59 HA ARG 59 2.772 -10.138 -5.578 460 HB2 ARG 59 HB3 ARG 59 4.002 -11.909 -6.629 461 HB3 ARG 59 HB2 ARG 59 4.984 -10.782 -7.555 462 HG2 ARG 59 HG3 ARG 59 6.177 -10.083 -5.548 463 HG3 ARG 59 HG2 ARG 59 5.119 -11.061 -4.531 464 HD2 ARG 59 HD3 ARG 59 6.919 -12.229 -6.678 465 HD3 ARG 59 HD2 ARG 59 7.410 -12.041 -4.991 466 HE ARG 59 HE ARG 59 4.941 -13.495 -5.352 467 HH11 ARG 59 HH11 ARG 59 8.379 -13.840 -5.169 468 HH12 ARG 59 HH12 ARG 59 8.287 -15.492 -4.680 469 HH21 ARG 59 HH21 ARG 59 4.860 -15.579 -4.706 470 HH22 ARG 59 HH22 ARG 59 6.313 -16.471 -4.439 471 H LYS 60 H LYS 60 4.398 -8.007 -7.931 472 HA LYS 60 HA LYS 60 6.116 -6.672 -6.154 473 HB2 LYS 60 HB3 LYS 60 4.889 -5.543 -8.688 474 HB3 LYS 60 HB2 LYS 60 6.263 -4.851 -7.832 475 HG2 LYS 60 HG3 LYS 60 6.156 -7.505 -9.293 476 HG3 LYS 60 HG2 LYS 60 7.055 -6.060 -9.761 477 HD2 LYS 60 HD3 LYS 60 8.479 -6.309 -7.728 478 HD3 LYS 60 HD2 LYS 60 7.592 -7.776 -7.297 479 HE2 LYS 60 HE3 LYS 60 8.345 -8.836 -9.405 480 HE3 LYS 60 HE2 LYS 60 9.251 -7.374 -9.810 481 HZ1 LYS 60 HZ1 LYS 60 10.548 -7.705 -7.785 482 HZ2 LYS 60 HZ2 LYS 60 10.694 -9.000 -8.854 483 HZ3 LYS 60 HZ3 LYS 60 9.718 -9.148 -7.482 484 H VAL 61 H VAL 61 2.791 -5.691 -7.204 485 HA VAL 61 HA VAL 61 2.622 -3.381 -5.538 486 HB VAL 61 HB VAL 61 0.287 -5.095 -6.510 487 HG11 VAL 61 HG11 VAL 61 0.304 -2.195 -5.569 488 HG12 VAL 61 HG12 VAL 61 -0.416 -3.561 -4.717 489 HG13 VAL 61 HG13 VAL 61 -1.091 -3.032 -6.259 490 HG21 VAL 61 HG21 VAL 61 1.531 -2.675 -7.845 491 HG22 VAL 61 HG22 VAL 61 0.080 -3.519 -8.393 492 HG23 VAL 61 HG23 VAL 61 1.640 -4.341 -8.409 493 H GLY 62 H GLY 62 1.678 -6.781 -5.021 494 HA2 GLY 62 HA3 GLY 62 0.361 -6.611 -2.566 495 HA3 GLY 62 HA2 GLY 62 1.258 -8.013 -3.129 496 H VAL 63 H VAL 63 3.800 -7.338 -3.084 497 HA VAL 63 HA VAL 63 4.600 -7.181 -0.360 498 HB VAL 63 HB VAL 63 6.322 -6.841 -2.863 499 HG11 VAL 63 HG11 VAL 63 7.170 -7.546 -0.022 500 HG12 VAL 63 HG12 VAL 63 7.498 -6.027 -0.855 501 HG13 VAL 63 HG13 VAL 63 8.232 -7.521 -1.433 502 HG21 VAL 63 HG21 VAL 63 5.709 -9.368 -1.278 503 HG22 VAL 63 HG22 VAL 63 6.841 -9.251 -2.626 504 HG23 VAL 63 HG23 VAL 63 5.120 -8.989 -2.900 505 H LEU 64 H LEU 64 4.477 -4.800 -3.005 506 HA LEU 64 HA LEU 64 5.965 -2.727 -1.850 507 HB2 LEU 64 HB3 LEU 64 5.245 -2.810 -4.242 508 HB3 LEU 64 HB2 LEU 64 3.608 -2.419 -3.745 509 HG LEU 64 HG LEU 64 4.403 -0.209 -2.893 510 HD11 LEU 64 HD11 LEU 64 6.707 -0.811 -2.312 511 HD12 LEU 64 HD12 LEU 64 6.664 0.581 -3.387 512 HD13 LEU 64 HD13 LEU 64 7.106 -1.004 -4.022 513 HD21 LEU 64 HD21 LEU 64 3.531 -0.358 -5.190 514 HD22 LEU 64 HD22 LEU 64 5.151 -0.717 -5.795 515 HD23 LEU 64 HD23 LEU 64 4.807 0.855 -5.071 516 H LEU 65 H LEU 65 2.470 -3.408 -1.587 517 HA LEU 65 HA LEU 65 1.671 -1.187 -0.059 518 HB2 LEU 65 HB3 LEU 65 0.580 -4.030 -0.108 519 HB3 LEU 65 HB2 LEU 65 -0.211 -2.708 0.737 520 HG LEU 65 HG LEU 65 0.264 -2.823 -2.273 521 HD11 LEU 65 HD11 LEU 65 -1.443 -4.441 -1.579 522 HD12 LEU 65 HD12 LEU 65 -2.160 -3.114 -2.490 523 HD13 LEU 65 HD13 LEU 65 -2.326 -3.167 -0.732 524 HD21 LEU 65 HD21 LEU 65 -1.162 -0.816 -2.378 525 HD22 LEU 65 HD22 LEU 65 0.310 -0.515 -1.462 526 HD23 LEU 65 HD23 LEU 65 -1.222 -0.755 -0.615 527 H ASP 66 H ASP 66 2.766 -4.412 0.982 528 HA ASP 66 HA ASP 66 2.714 -4.137 3.757 529 HB2 ASP 66 HB3 ASP 66 3.065 -6.283 2.602 530 HB3 ASP 66 HB2 ASP 66 4.620 -5.734 1.995 531 H ILE 67 H ILE 67 5.297 -3.276 1.470 532 HA ILE 67 HA ILE 67 7.191 -2.339 3.393 533 HB ILE 67 HB ILE 67 6.984 -1.676 0.419 534 HG12 ILE 67 HG12 ILE 67 8.663 -3.849 1.773 535 HG13 ILE 67 HG11 ILE 67 7.179 -4.147 0.876 536 HG21 ILE 67 HG21 ILE 67 9.403 -1.147 0.564 537 HG22 ILE 67 HG22 ILE 67 9.351 -1.400 2.308 538 HG23 ILE 67 HG23 ILE 67 8.436 -0.078 1.582 539 HD11 ILE 67 HD11 ILE 67 9.740 -3.024 -0.272 540 HD12 ILE 67 HD12 ILE 67 8.250 -3.326 -1.173 541 HD13 ILE 67 HD13 ILE 67 9.138 -4.670 -0.457 542 H LEU 68 H LEU 68 4.691 -0.709 1.439 543 HA LEU 68 HA LEU 68 5.429 1.971 2.094 544 HB2 LEU 68 HB3 LEU 68 2.871 0.856 0.905 545 HB3 LEU 68 HB2 LEU 68 3.143 2.571 1.153 546 HG LEU 68 HG LEU 68 4.739 0.774 -0.722 547 HD11 LEU 68 HD11 LEU 68 2.480 1.236 -1.556 548 HD12 LEU 68 HD12 LEU 68 3.694 2.058 -2.533 549 HD13 LEU 68 HD13 LEU 68 2.743 2.972 -1.360 550 HD21 LEU 68 HD21 LEU 68 6.191 2.524 0.215 551 HD22 LEU 68 HD22 LEU 68 5.029 3.767 -0.256 552 HD23 LEU 68 HD23 LEU 68 5.864 2.824 -1.492 553 H GLN 69 H GLN 69 3.409 -0.431 3.693 554 HA GLN 69 HA GLN 69 1.956 1.081 5.521 555 HB2 GLN 69 HB3 GLN 69 3.444 -1.534 6.001 556 HB3 GLN 69 HB2 GLN 69 2.285 -0.853 7.140 557 HG2 GLN 69 HG3 GLN 69 0.487 -1.074 5.492 558 HG3 GLN 69 HG2 GLN 69 1.634 -1.646 4.289 559 HE21 GLN 69 HE21 GLN 69 1.620 -2.686 7.674 560 HE22 GLN 69 HE22 GLN 69 1.156 -4.311 7.341 561 H ARG 70 H ARG 70 5.435 0.590 5.451 562 HA ARG 70 HA ARG 70 6.084 1.525 8.057 563 HB2 ARG 70 HB3 ARG 70 7.815 1.497 5.555 564 HB3 ARG 70 HB2 ARG 70 8.406 1.735 7.196 565 HG2 ARG 70 HG3 ARG 70 7.197 -0.795 6.027 566 HG3 ARG 70 HG2 ARG 70 8.866 -0.540 6.546 567 HD2 ARG 70 HD3 ARG 70 6.395 -0.674 8.310 568 HD3 ARG 70 HD2 ARG 70 7.708 -1.849 8.235 569 HE ARG 70 HE ARG 70 8.847 0.585 8.961 570 HH11 ARG 70 HH11 ARG 70 6.637 -1.695 10.365 571 HH12 ARG 70 HH12 ARG 70 6.973 -1.165 11.974 572 HH21 ARG 70 HH21 ARG 70 9.222 1.233 11.006 573 HH22 ARG 70 HH22 ARG 70 8.408 0.471 12.326 574 H THR 71 H THR 71 5.166 3.262 5.180 575 HA THR 71 HA THR 71 6.200 5.846 6.148 576 HB THR 71 HB THR 71 5.393 6.833 4.106 577 HG1 THR 71 HG1 THR 71 4.166 4.529 3.123 578 HG21 THR 71 HG21 THR 71 6.378 4.042 3.396 579 HG22 THR 71 HG22 THR 71 7.403 5.433 3.747 580 HG23 THR 71 HG23 THR 71 6.376 5.440 2.314 581 H GLY 72 H GLY 72 3.541 3.895 6.810 582 HA2 GLY 72 HA3 GLY 72 1.598 4.187 7.958 583 HA3 GLY 72 HA2 GLY 72 2.204 5.765 8.421 584 H HIS 73 H HIS 73 0.967 7.420 7.815 585 HA HIS 73 HA HIS 73 -1.447 6.903 6.315 586 HB2 HIS 73 HB2 HIS 73 -1.159 8.296 8.497 587 HB3 HIS 73 HB1 HIS 73 -0.634 9.610 7.450 588 HD2 HIS 73 HD2 HIS 73 -2.676 11.076 6.389 589 HE1 HIS 73 HE1 HIS 73 -5.807 8.468 7.523 590 HE2 HIS 73 HE2 HIS 73 -5.236 10.658 6.412 591 H LYS 74 H LYS 74 1.551 8.612 5.739 592 HA LYS 74 HA LYS 74 0.734 10.242 3.556 593 HB2 LYS 74 HB3 LYS 74 3.490 9.237 4.338 594 HB3 LYS 74 HB2 LYS 74 3.188 10.500 3.144 595 HG2 LYS 74 HG3 LYS 74 2.126 11.893 4.920 596 HG3 LYS 74 HG2 LYS 74 2.496 10.637 6.104 597 HD2 LYS 74 HD3 LYS 74 4.149 12.466 6.207 598 HD3 LYS 74 HD2 LYS 74 4.908 10.953 5.710 599 HE2 LYS 74 HE3 LYS 74 4.849 11.704 3.349 600 HE3 LYS 74 HE2 LYS 74 4.093 13.219 3.852 601 HZ1 LYS 74 HZ1 LYS 74 6.762 12.291 4.743 602 HZ2 LYS 74 HZ2 LYS 74 6.050 13.791 5.063 603 HZ3 LYS 74 HZ3 LYS 74 6.489 13.385 3.484 604 H GLY 75 H GLY 75 2.048 6.944 3.716 605 HA2 GLY 75 HA3 GLY 75 2.392 6.496 0.926 606 HA3 GLY 75 HA2 GLY 75 2.187 5.258 2.157 607 H TYR 76 H TYR 76 -0.359 5.967 3.110 608 HA TYR 76 HA TYR 76 -2.213 4.827 1.339 609 HB2 TYR 76 HB2 TYR 76 -2.647 4.847 3.697 610 HB3 TYR 76 HB1 TYR 76 -2.538 6.598 3.781 611 HD1 TYR 76 HD1 TYR 76 -4.559 7.778 3.974 612 HD2 TYR 76 HD2 TYR 76 -4.627 3.956 2.052 613 HE1 TYR 76 HE1 TYR 76 -7.005 7.898 3.820 614 HE2 TYR 76 HE2 TYR 76 -7.078 4.080 1.898 615 HH TYR 76 HH TYR 76 -8.807 6.927 2.415 616 H VAL 77 H VAL 77 -1.728 8.285 2.142 617 HA VAL 77 HA VAL 77 -3.634 9.401 0.405 618 HB VAL 77 HB VAL 77 -0.993 10.641 1.313 619 HG11 VAL 77 HG11 VAL 77 -1.944 11.882 -0.600 620 HG12 VAL 77 HG12 VAL 77 -2.074 12.837 0.877 621 HG13 VAL 77 HG13 VAL 77 -3.495 12.010 0.234 622 HG21 VAL 77 HG21 VAL 77 -2.319 11.696 3.123 623 HG22 VAL 77 HG22 VAL 77 -2.386 9.937 3.226 624 HG23 VAL 77 HG23 VAL 77 -3.759 10.831 2.576 625 H ALA 78 H ALA 78 -0.119 8.950 -0.113 626 HA ALA 78 HA ALA 78 0.072 9.810 -2.778 627 HB1 ALA 78 HB1 ALA 78 2.230 8.642 -2.821 628 HB2 ALA 78 HB2 ALA 78 1.796 7.758 -1.355 629 HB3 ALA 78 HB3 ALA 78 2.018 9.508 -1.300 630 H PHE 79 H PHE 79 -0.784 6.657 -1.456 631 HA PHE 79 HA PHE 79 -0.765 5.124 -3.842 632 HB2 PHE 79 HB2 PHE 79 -0.791 4.127 -1.572 633 HB3 PHE 79 HB1 PHE 79 -2.409 4.759 -1.296 634 HD1 PHE 79 HD1 PHE 79 -4.259 3.357 -1.755 635 HD2 PHE 79 HD2 PHE 79 -0.508 2.543 -3.647 636 HE1 PHE 79 HE1 PHE 79 -5.179 1.286 -2.708 637 HE2 PHE 79 HE2 PHE 79 -1.439 0.478 -4.587 638 HZ PHE 79 HZ PHE 79 -3.768 -0.153 -4.119 639 H LEU 80 H LEU 80 -3.416 6.822 -2.128 640 HA LEU 80 HA LEU 80 -5.508 6.335 -3.954 641 HB2 LEU 80 HB3 LEU 80 -5.094 8.705 -2.099 642 HB3 LEU 80 HB2 LEU 80 -6.600 8.348 -2.932 643 HG LEU 80 HG LEU 80 -5.305 6.619 -0.785 644 HD11 LEU 80 HD11 LEU 80 -6.257 8.674 0.123 645 HD12 LEU 80 HD12 LEU 80 -7.226 7.283 0.599 646 HD13 LEU 80 HD13 LEU 80 -7.795 8.350 -0.686 647 HD21 LEU 80 HD21 LEU 80 -7.372 5.257 -0.878 648 HD22 LEU 80 HD22 LEU 80 -6.479 5.190 -2.395 649 HD23 LEU 80 HD23 LEU 80 -7.928 6.192 -2.269 650 H GLU 81 H GLU 81 -3.146 8.982 -3.813 651 HA GLU 81 HA GLU 81 -4.114 10.542 -5.964 652 HB2 GLU 81 HB3 GLU 81 -1.286 10.284 -4.866 653 HB3 GLU 81 HB2 GLU 81 -1.816 11.543 -5.975 654 HG2 GLU 81 HG3 GLU 81 -2.829 11.126 -3.148 655 HG3 GLU 81 HG2 GLU 81 -1.661 12.342 -3.655 656 H SER 82 H SER 82 -1.657 7.951 -5.828 657 HA SER 82 HA SER 82 -0.948 7.877 -8.563 658 HB2 SER 82 HB3 SER 82 0.379 6.744 -6.813 659 HB3 SER 82 HB2 SER 82 -0.933 5.594 -6.542 660 HG SER 82 HG SER 82 -0.134 4.478 -8.117 661 H LEU 83 H LEU 83 -3.582 6.284 -6.792 662 HA LEU 83 HA LEU 83 -4.555 4.677 -8.910 663 HB2 LEU 83 HB3 LEU 83 -6.008 5.850 -6.516 664 HB3 LEU 83 HB2 LEU 83 -6.747 4.724 -7.644 665 HG LEU 83 HG LEU 83 -4.418 4.134 -5.780 666 HD11 LEU 83 HD11 LEU 83 -7.261 3.068 -5.810 667 HD12 LEU 83 HD12 LEU 83 -6.583 4.201 -4.638 668 HD13 LEU 83 HD13 LEU 83 -5.975 2.550 -4.716 669 HD21 LEU 83 HD21 LEU 83 -4.538 1.815 -6.629 670 HD22 LEU 83 HD22 LEU 83 -4.052 2.950 -7.884 671 HD23 LEU 83 HD23 LEU 83 -5.703 2.323 -7.853 672 H GLU 84 H GLU 84 -5.831 7.845 -7.716 673 HA GLU 84 HA GLU 84 -7.705 8.177 -9.779 674 HB2 GLU 84 HB3 GLU 84 -7.747 9.402 -7.601 675 HB3 GLU 84 HB2 GLU 84 -6.387 10.378 -8.147 676 HG2 GLU 84 HG3 GLU 84 -7.719 11.383 -9.901 677 HG3 GLU 84 HG2 GLU 84 -9.053 10.275 -9.592 678 H LEU 85 H LEU 85 -4.266 8.990 -9.716 679 HA LEU 85 HA LEU 85 -4.234 10.585 -12.107 680 HB2 LEU 85 HB3 LEU 85 -2.486 10.425 -10.174 681 HB3 LEU 85 HB2 LEU 85 -1.869 9.023 -11.019 682 HG LEU 85 HG LEU 85 -1.973 11.841 -12.193 683 HD11 LEU 85 HD11 LEU 85 0.403 10.376 -11.001 684 HD12 LEU 85 HD12 LEU 85 -0.438 11.752 -10.286 685 HD13 LEU 85 HD13 LEU 85 0.445 11.955 -11.796 686 HD21 LEU 85 HD21 LEU 85 -1.949 10.143 -13.968 687 HD22 LEU 85 HD22 LEU 85 -0.541 9.369 -13.242 688 HD23 LEU 85 HD23 LEU 85 -0.407 10.996 -13.917 689 H TYR 86 H TYR 86 -3.325 7.144 -11.471 690 HA TYR 86 HA TYR 86 -2.870 6.710 -14.347 691 HB2 TYR 86 HB2 TYR 86 -2.195 4.992 -11.926 692 HB3 TYR 86 HB1 TYR 86 -1.858 4.522 -13.589 693 HD1 TYR 86 HD1 TYR 86 -0.945 6.957 -10.909 694 HD2 TYR 86 HD2 TYR 86 0.052 5.468 -14.792 695 HE1 TYR 86 HE1 TYR 86 1.209 8.129 -10.800 696 HE2 TYR 86 HE2 TYR 86 2.210 6.642 -14.676 697 HH TYR 86 HH TYR 86 3.469 7.902 -11.831 698 H TYR 87 H TYR 87 -4.734 5.076 -11.718 699 HA TYR 87 HA TYR 87 -6.583 3.972 -13.776 700 HB2 TYR 87 HB2 TYR 87 -5.529 2.571 -11.281 701 HB3 TYR 87 HB1 TYR 87 -6.865 1.961 -12.256 702 HD1 TYR 87 HD1 TYR 87 -3.312 1.864 -11.857 703 HD2 TYR 87 HD2 TYR 87 -6.401 1.687 -14.818 704 HE1 TYR 87 HE1 TYR 87 -1.744 0.814 -13.440 705 HE2 TYR 87 HE2 TYR 87 -4.840 0.634 -16.376 706 HH TYR 87 HH TYR 87 -1.988 -0.713 -15.538 707 HA PRO 88 HA PRO 88 -9.221 6.414 -10.761 708 HB2 PRO 88 HB3 PRO 88 -10.795 7.619 -12.663 709 HB3 PRO 88 HB2 PRO 88 -9.241 8.289 -12.145 710 HG2 PRO 88 HG3 PRO 88 -9.865 6.607 -14.577 711 HG3 PRO 88 HG2 PRO 88 -8.892 8.091 -14.468 712 HD2 PRO 88 HD3 PRO 88 -7.749 5.629 -14.542 713 HD3 PRO 88 HD2 PRO 88 -7.034 6.959 -13.604 714 H GLN 89 H GLN 89 -9.867 4.281 -13.464 715 HA GLN 89 HA GLN 89 -12.505 3.457 -12.887 716 HB2 GLN 89 HB3 GLN 89 -11.974 1.470 -14.264 717 HB3 GLN 89 HB2 GLN 89 -11.424 2.954 -15.032 718 HG2 GLN 89 HG3 GLN 89 -9.108 2.482 -14.295 719 HG3 GLN 89 HG2 GLN 89 -9.653 0.992 -13.527 720 HE21 GLN 89 HE21 GLN 89 -8.283 -0.281 -14.839 721 HE22 GLN 89 HE22 GLN 89 -8.597 -0.534 -16.516 722 H LEU 90 H LEU 90 -9.418 2.520 -11.468 723 HA LEU 90 HA LEU 90 -10.599 0.477 -9.749 724 HB2 LEU 90 HB3 LEU 90 -8.303 0.185 -10.619 725 HB3 LEU 90 HB2 LEU 90 -7.799 1.664 -9.817 726 HG LEU 90 HG LEU 90 -8.226 0.600 -7.597 727 HD11 LEU 90 HD11 LEU 90 -8.824 -1.935 -9.162 728 HD12 LEU 90 HD12 LEU 90 -9.987 -0.996 -8.220 729 HD13 LEU 90 HD13 LEU 90 -8.651 -1.807 -7.410 730 HD21 LEU 90 HD21 LEU 90 -6.361 -1.003 -9.363 731 HD22 LEU 90 HD22 LEU 90 -6.309 -0.916 -7.604 732 HD23 LEU 90 HD23 LEU 90 -5.976 0.522 -8.564 733 H TYR 91 H TYR 91 -9.293 3.776 -9.484 734 HA TYR 91 HA TYR 91 -9.153 4.163 -6.761 735 HB2 TYR 91 HB2 TYR 91 -8.277 5.791 -8.367 736 HB3 TYR 91 HB1 TYR 91 -9.908 6.207 -8.884 737 HD1 TYR 91 HD1 TYR 91 -7.716 6.215 -5.827 738 HD2 TYR 91 HD2 TYR 91 -11.030 8.037 -7.815 739 HE1 TYR 91 HE1 TYR 91 -7.817 7.941 -4.090 740 HE2 TYR 91 HE2 TYR 91 -11.104 9.768 -6.073 741 HH TYR 91 HH TYR 91 -8.640 10.271 -3.846 742 H LYS 92 H LYS 92 -12.021 4.960 -8.792 743 HA LYS 92 HA LYS 92 -13.600 5.923 -6.613 744 HB2 LYS 92 HB3 LYS 92 -14.533 4.958 -9.337 745 HB3 LYS 92 HB2 LYS 92 -15.480 5.916 -8.208 746 HG2 LYS 92 HG3 LYS 92 -13.756 7.749 -8.438 747 HG3 LYS 92 HG2 LYS 92 -12.988 6.786 -9.705 748 HD2 LYS 92 HD3 LYS 92 -15.823 7.903 -9.757 749 HD3 LYS 92 HD2 LYS 92 -14.453 8.506 -10.690 750 HE2 LYS 92 HE3 LYS 92 -15.792 5.790 -10.997 751 HE3 LYS 92 HE2 LYS 92 -15.904 7.147 -12.115 752 HZ1 LYS 92 HZ1 LYS 92 -14.348 5.570 -12.942 753 HZ2 LYS 92 HZ2 LYS 92 -13.481 5.552 -11.494 754 HZ3 LYS 92 HZ3 LYS 92 -13.480 6.940 -12.460 755 H LYS 93 H LYS 93 -13.008 2.707 -7.820 756 HA LYS 93 HA LYS 93 -15.259 1.435 -6.524 757 HB2 LYS 93 HB3 LYS 93 -12.657 0.206 -7.544 758 HB3 LYS 93 HB2 LYS 93 -14.081 -0.699 -7.036 759 HG2 LYS 93 HG3 LYS 93 -13.867 1.157 -9.427 760 HG3 LYS 93 HG2 LYS 93 -13.985 -0.606 -9.463 761 HD2 LYS 93 HD3 LYS 93 -16.272 -0.438 -8.450 762 HD3 LYS 93 HD2 LYS 93 -16.145 1.323 -8.501 763 HE2 LYS 93 HE3 LYS 93 -17.459 0.571 -10.398 764 HE3 LYS 93 HE2 LYS 93 -15.917 1.188 -10.993 765 HZ1 LYS 93 HZ1 LYS 93 -16.497 -0.853 -12.094 766 HZ2 LYS 93 HZ2 LYS 93 -16.640 -1.668 -10.621 767 HZ3 LYS 93 HZ3 LYS 93 -15.130 -1.111 -11.135 768 H VAL 94 H VAL 94 -11.807 1.894 -5.754 769 HA VAL 94 HA VAL 94 -11.828 0.468 -3.272 770 HB VAL 94 HB VAL 94 -9.861 2.599 -4.217 771 HG11 VAL 94 HG11 VAL 94 -9.609 2.160 -1.802 772 HG12 VAL 94 HG12 VAL 94 -8.226 1.523 -2.691 773 HG13 VAL 94 HG13 VAL 94 -9.483 0.427 -2.114 774 HG21 VAL 94 HG21 VAL 94 -8.487 0.724 -5.059 775 HG22 VAL 94 HG22 VAL 94 -10.060 0.768 -5.854 776 HG23 VAL 94 HG23 VAL 94 -9.750 -0.419 -4.587 777 H THR 95 H THR 95 -12.419 3.860 -4.088 778 HA THR 95 HA THR 95 -12.470 4.732 -1.283 779 HB THR 95 HB THR 95 -12.752 7.031 -2.207 780 HG1 THR 95 HG1 THR 95 -12.223 6.299 -4.823 781 HG21 THR 95 HG21 THR 95 -10.474 6.116 -1.880 782 HG22 THR 95 HG22 THR 95 -10.538 7.238 -3.242 783 HG23 THR 95 HG23 THR 95 -10.492 5.497 -3.533 784 H GLY 96 H GLY 96 -14.690 4.638 -4.091 785 HA2 GLY 96 HA3 GLY 96 -16.971 3.771 -3.499 786 HA3 GLY 96 HA2 GLY 96 -16.999 4.986 -2.236 787 H LYS 97 H LYS 97 -15.519 6.626 -4.649 788 HA LYS 97 HA LYS 97 -17.834 8.159 -5.330 789 HB2 LYS 97 HB3 LYS 97 -15.077 8.177 -6.634 790 HB3 LYS 97 HB2 LYS 97 -16.335 9.376 -6.922 791 HG2 LYS 97 HG3 LYS 97 -16.228 9.787 -4.354 792 HG3 LYS 97 HG2 LYS 97 -14.687 8.933 -4.425 793 HD2 LYS 97 HD3 LYS 97 -15.420 11.473 -5.944 794 HD3 LYS 97 HD2 LYS 97 -14.358 11.373 -4.539 795 HE2 LYS 97 HE3 LYS 97 -12.759 10.016 -5.858 796 HE3 LYS 97 HE2 LYS 97 -13.820 10.127 -7.263 797 HZ1 LYS 97 HZ1 LYS 97 -13.490 12.494 -7.314 798 HZ2 LYS 97 HZ2 LYS 97 -11.981 11.727 -7.304 799 HZ3 LYS 97 HZ3 LYS 97 -12.573 12.448 -5.896 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 13.384 3.819 11.252 2 H2 MET 1 HT2 MET 1 12.335 2.542 10.912 3 H3 MET 1 HT3 MET 1 13.434 2.414 12.191 4 HA MET 1 HA MET 1 12.352 4.167 13.380 5 HB2 MET 1 HB2 MET 1 10.558 4.248 10.924 6 HB3 MET 1 HB1 MET 1 10.038 4.915 12.470 7 HG2 MET 1 HG2 MET 1 12.463 5.829 10.897 8 HG3 MET 1 HG1 MET 1 10.903 6.657 10.999 9 HE1 MET 1 HE1 MET 1 13.082 9.031 13.204 10 HE2 MET 1 HE2 MET 1 11.955 8.916 11.852 11 HE3 MET 1 HE3 MET 1 13.575 8.227 11.715 12 H SER 2 H SER 2 11.150 3.404 15.056 13 HA SER 2 HA SER 2 9.810 0.888 15.067 14 HB2 SER 2 HB3 SER 2 8.965 1.558 17.301 15 HB3 SER 2 HB2 SER 2 10.675 1.952 17.158 16 HG SER 2 HG SER 2 9.709 4.123 16.422 17 H ASP 3 H ASP 3 7.560 0.432 15.004 18 HA ASP 3 HA ASP 3 5.969 2.247 13.354 19 HB2 ASP 3 HB3 ASP 3 5.375 -0.580 14.340 20 HB3 ASP 3 HB2 ASP 3 4.432 0.307 13.140 21 H TYR 4 H TYR 4 6.180 3.624 15.509 22 HA TYR 4 HA TYR 4 4.303 3.069 17.610 23 HB2 TYR 4 HB2 TYR 4 4.924 5.302 18.491 24 HB3 TYR 4 HB1 TYR 4 6.335 4.331 18.112 25 HD1 TYR 4 HD1 TYR 4 7.877 4.994 16.300 26 HD2 TYR 4 HD2 TYR 4 4.407 7.345 17.150 27 HE1 TYR 4 HE1 TYR 4 8.787 6.834 14.950 28 HE2 TYR 4 HE2 TYR 4 5.319 9.176 15.796 29 HH TYR 4 HH TYR 4 7.544 9.970 15.038 30 H GLU 5 H GLU 5 4.104 4.787 14.566 31 HA GLU 5 HA GLU 5 1.610 6.156 15.151 32 HB2 GLU 5 HB3 GLU 5 3.210 7.096 13.492 33 HB3 GLU 5 HB2 GLU 5 3.001 5.677 12.468 34 HG2 GLU 5 HG3 GLU 5 0.549 6.265 12.285 35 HG3 GLU 5 HG2 GLU 5 0.890 7.751 13.165 36 H ASN 6 H ASN 6 -0.386 5.277 15.002 37 HA ASN 6 HA ASN 6 -0.811 2.673 13.693 38 HB2 ASN 6 HB3 ASN 6 -3.075 2.754 14.719 39 HB3 ASN 6 HB2 ASN 6 -1.807 2.968 15.918 40 HD21 ASN 6 HD21 ASN 6 -4.429 4.544 14.231 41 HD22 ASN 6 HD22 ASN 6 -4.515 5.925 15.262 42 H ASP 7 H ASP 7 -1.744 2.482 11.712 43 HA ASP 7 HA ASP 7 -3.642 4.444 10.710 44 HB2 ASP 7 HB3 ASP 7 -1.117 5.075 10.048 45 HB3 ASP 7 HB2 ASP 7 -1.350 3.855 8.801 46 H ASP 8 H ASP 8 -3.296 1.543 11.445 47 HA ASP 8 HA ASP 8 -3.370 -0.233 9.313 48 HB2 ASP 8 HB3 ASP 8 -4.485 -1.779 11.004 49 HB3 ASP 8 HB2 ASP 8 -2.981 -1.028 11.536 50 H GLU 9 H GLU 9 -6.043 1.633 10.719 51 HA GLU 9 HA GLU 9 -8.215 0.280 9.509 52 HB2 GLU 9 HB3 GLU 9 -8.008 3.172 10.445 53 HB3 GLU 9 HB2 GLU 9 -9.512 2.409 9.929 54 HG2 GLU 9 HG3 GLU 9 -9.220 0.715 11.759 55 HG3 GLU 9 HG2 GLU 9 -7.810 1.619 12.320 56 H CYS 10 H CYS 10 -6.135 2.861 8.280 57 HA CYS 10 HA CYS 10 -7.624 3.512 5.929 58 HB2 CYS 10 HB3 CYS 10 -4.649 3.847 6.488 59 HB3 CYS 10 HB2 CYS 10 -5.545 4.631 5.188 60 H TRP 11 H TRP 11 -4.811 1.400 6.520 61 HA TRP 11 HA TRP 11 -4.481 0.585 3.791 62 HB2 TRP 11 HB2 TRP 11 -3.258 -0.418 6.391 63 HB3 TRP 11 HB1 TRP 11 -2.793 -1.029 4.803 64 HD1 TRP 11 HD1 TRP 11 -2.297 2.007 7.081 65 HE1 TRP 11 HE1 TRP 11 -0.594 3.588 5.986 66 HE3 TRP 11 HE3 TRP 11 -1.936 -0.224 2.486 67 HZ2 TRP 11 HZ2 TRP 11 0.717 3.866 3.513 68 HZ3 TRP 11 HZ3 TRP 11 -0.437 0.773 0.802 69 HH2 TRP 11 HH2 TRP 11 0.858 2.779 1.315 70 H SER 12 H SER 12 -6.198 -0.794 6.541 71 HA SER 12 HA SER 12 -6.619 -3.432 5.657 72 HB2 SER 12 HB3 SER 12 -7.219 -2.702 7.939 73 HB3 SER 12 HB2 SER 12 -8.504 -1.680 7.296 74 HG SER 12 HG SER 12 -8.338 -4.519 7.208 75 H VAL 13 H VAL 13 -8.292 -0.454 4.791 76 HA VAL 13 HA VAL 13 -10.484 -1.517 3.322 77 HB VAL 13 HB VAL 13 -9.085 1.171 2.954 78 HG11 VAL 13 HG11 VAL 13 -11.243 1.961 1.993 79 HG12 VAL 13 HG12 VAL 13 -11.881 0.318 2.102 80 HG13 VAL 13 HG13 VAL 13 -10.524 0.666 1.030 81 HG21 VAL 13 HG21 VAL 13 -11.441 0.462 4.746 82 HG22 VAL 13 HG22 VAL 13 -10.823 2.092 4.474 83 HG23 VAL 13 HG23 VAL 13 -9.814 0.889 5.280 84 H LEU 14 H LEU 14 -7.252 -0.393 2.316 85 HA LEU 14 HA LEU 14 -7.455 -0.865 -0.470 86 HB2 LEU 14 HB3 LEU 14 -4.938 -0.954 1.238 87 HB3 LEU 14 HB2 LEU 14 -4.994 -0.728 -0.507 88 HG LEU 14 HG LEU 14 -6.005 1.240 1.589 89 HD11 LEU 14 HD11 LEU 14 -4.151 2.668 0.837 90 HD12 LEU 14 HD12 LEU 14 -3.578 1.376 -0.219 91 HD13 LEU 14 HD13 LEU 14 -3.589 1.151 1.531 92 HD21 LEU 14 HD21 LEU 14 -7.405 1.391 -0.411 93 HD22 LEU 14 HD22 LEU 14 -5.977 1.550 -1.437 94 HD23 LEU 14 HD23 LEU 14 -6.378 2.817 -0.272 95 H GLU 15 H GLU 15 -6.270 -2.892 2.191 96 HA GLU 15 HA GLU 15 -5.459 -5.138 0.650 97 HB2 GLU 15 HB3 GLU 15 -6.179 -4.896 3.595 98 HB3 GLU 15 HB2 GLU 15 -5.430 -6.319 2.873 99 HG2 GLU 15 HG3 GLU 15 -3.458 -4.996 2.246 100 HG3 GLU 15 HG2 GLU 15 -4.206 -3.539 2.896 101 H GLY 16 H GLY 16 -8.575 -4.200 2.021 102 HA2 GLY 16 HA3 GLY 16 -10.086 -6.524 1.520 103 HA3 GLY 16 HA2 GLY 16 -10.702 -4.874 1.486 104 H PHE 17 H PHE 17 -8.740 -4.164 -0.704 105 HA PHE 17 HA PHE 17 -9.995 -5.531 -3.037 106 HB2 PHE 17 HB2 PHE 17 -8.836 -2.707 -2.768 107 HB3 PHE 17 HB1 PHE 17 -9.344 -3.415 -4.295 108 HD1 PHE 17 HD1 PHE 17 -11.637 -3.390 -4.965 109 HD2 PHE 17 HD2 PHE 17 -10.589 -2.283 -0.973 110 HE1 PHE 17 HE1 PHE 17 -13.912 -2.547 -4.595 111 HE2 PHE 17 HE2 PHE 17 -12.867 -1.444 -0.612 112 HZ PHE 17 HZ PHE 17 -14.534 -1.574 -2.421 113 H ARG 18 H ARG 18 -7.458 -6.250 -1.372 114 HA ARG 18 HA ARG 18 -5.104 -5.394 -2.644 115 HB2 ARG 18 HB3 ARG 18 -5.316 -6.589 -0.401 116 HB3 ARG 18 HB2 ARG 18 -5.409 -8.100 -1.294 117 HG2 ARG 18 HG3 ARG 18 -3.142 -7.669 -2.228 118 HG3 ARG 18 HG2 ARG 18 -3.061 -6.163 -1.306 119 HD2 ARG 18 HD3 ARG 18 -3.429 -7.579 0.791 120 HD3 ARG 18 HD2 ARG 18 -3.175 -8.993 -0.231 121 HE ARG 18 HE ARG 18 -0.903 -8.118 -0.677 122 HH11 ARG 18 HH11 ARG 18 -2.555 -6.972 2.136 123 HH12 ARG 18 HH12 ARG 18 -1.094 -6.616 2.984 124 HH21 ARG 18 HH21 ARG 18 0.975 -7.689 0.472 125 HH22 ARG 18 HH22 ARG 18 0.861 -7.020 2.060 126 H VAL 19 H VAL 19 -7.040 -8.323 -3.312 127 HA VAL 19 HA VAL 19 -5.378 -9.533 -5.257 128 HB VAL 19 HB VAL 19 -8.418 -9.673 -5.007 129 HG11 VAL 19 HG11 VAL 19 -6.549 -11.545 -6.521 130 HG12 VAL 19 HG12 VAL 19 -7.729 -10.447 -7.239 131 HG13 VAL 19 HG13 VAL 19 -8.277 -11.813 -6.268 132 HG21 VAL 19 HG21 VAL 19 -7.275 -10.389 -2.945 133 HG22 VAL 19 HG22 VAL 19 -6.283 -11.523 -3.863 134 HG23 VAL 19 HG23 VAL 19 -8.027 -11.772 -3.745 135 H THR 20 H THR 20 -7.978 -7.133 -5.605 136 HA THR 20 HA THR 20 -7.964 -6.907 -8.443 137 HB THR 20 HB THR 20 -8.848 -4.841 -6.376 138 HG1 THR 20 HG1 THR 20 -10.220 -6.996 -7.642 139 HG21 THR 20 HG21 THR 20 -10.331 -3.974 -8.161 140 HG22 THR 20 HG22 THR 20 -9.636 -5.123 -9.304 141 HG23 THR 20 HG23 THR 20 -8.634 -3.837 -8.630 142 H LEU 21 H LEU 21 -6.372 -4.958 -5.893 143 HA LEU 21 HA LEU 21 -5.130 -3.004 -7.491 144 HB2 LEU 21 HB3 LEU 21 -4.306 -4.132 -4.785 145 HB3 LEU 21 HB2 LEU 21 -3.587 -2.697 -5.503 146 HG LEU 21 HG LEU 21 -6.510 -2.975 -4.678 147 HD11 LEU 21 HD11 LEU 21 -5.038 -2.879 -2.731 148 HD12 LEU 21 HD12 LEU 21 -5.975 -1.396 -2.879 149 HD13 LEU 21 HD13 LEU 21 -4.272 -1.410 -3.349 150 HD21 LEU 21 HD21 LEU 21 -6.280 -1.477 -6.604 151 HD22 LEU 21 HD22 LEU 21 -5.034 -0.549 -5.766 152 HD23 LEU 21 HD23 LEU 21 -6.688 -0.562 -5.154 153 H THR 22 H THR 22 -3.845 -6.100 -6.264 154 HA THR 22 HA THR 22 -1.253 -5.858 -7.422 155 HB THR 22 HB THR 22 -0.953 -8.257 -6.849 156 HG1 THR 22 HG1 THR 22 -3.383 -8.506 -5.555 157 HG21 THR 22 HG21 THR 22 -2.291 -6.670 -4.629 158 HG22 THR 22 HG22 THR 22 -0.583 -6.600 -5.070 159 HG23 THR 22 HG23 THR 22 -1.264 -8.087 -4.408 160 H SER 23 H SER 23 -4.285 -7.038 -8.667 161 HA SER 23 HA SER 23 -3.191 -8.436 -10.960 162 HB2 SER 23 HB3 SER 23 -5.335 -9.148 -9.967 163 HB3 SER 23 HB2 SER 23 -6.051 -7.584 -10.346 164 HG SER 23 HG SER 23 -6.461 -8.320 -12.259 165 H VAL 24 H VAL 24 -4.642 -5.215 -10.384 166 HA VAL 24 HA VAL 24 -4.718 -4.597 -13.261 167 HB VAL 24 HB VAL 24 -5.724 -2.935 -10.907 168 HG11 VAL 24 HG11 VAL 24 -5.236 -1.489 -12.850 169 HG12 VAL 24 HG12 VAL 24 -6.978 -1.604 -12.595 170 HG13 VAL 24 HG13 VAL 24 -6.215 -2.529 -13.890 171 HG21 VAL 24 HG21 VAL 24 -6.959 -5.057 -11.111 172 HG22 VAL 24 HG22 VAL 24 -7.285 -4.722 -12.813 173 HG23 VAL 24 HG23 VAL 24 -7.990 -3.694 -11.563 174 H ILE 25 H ILE 25 -3.140 -3.315 -10.308 175 HA ILE 25 HA ILE 25 -2.038 -1.002 -11.577 176 HB ILE 25 HB ILE 25 -1.248 -2.274 -8.929 177 HG12 ILE 25 HG12 ILE 25 -3.084 0.097 -9.470 178 HG13 ILE 25 HG11 ILE 25 -3.635 -1.529 -9.078 179 HG21 ILE 25 HG21 ILE 25 -0.552 0.506 -9.968 180 HG22 ILE 25 HG22 ILE 25 0.585 -0.820 -9.718 181 HG23 ILE 25 HG23 ILE 25 -0.226 -0.081 -8.336 182 HD11 ILE 25 HD11 ILE 25 -1.990 0.249 -7.288 183 HD12 ILE 25 HD12 ILE 25 -2.572 -1.375 -6.899 184 HD13 ILE 25 HD13 ILE 25 -3.720 -0.063 -7.158 185 H ASP 26 H ASP 26 -0.330 -0.844 -12.838 186 HA ASP 26 HA ASP 26 1.934 -2.711 -12.620 187 HB2 ASP 26 HB3 ASP 26 1.039 -2.261 -14.896 188 HB3 ASP 26 HB2 ASP 26 1.385 -0.549 -14.693 189 HA PRO 27 HA PRO 27 3.420 0.626 -9.830 190 HB2 PRO 27 HB3 PRO 27 5.694 -1.232 -9.335 191 HB3 PRO 27 HB2 PRO 27 4.579 -0.491 -8.183 192 HG2 PRO 27 HG3 PRO 27 4.443 -3.109 -8.805 193 HG3 PRO 27 HG2 PRO 27 2.986 -2.156 -8.457 194 HD2 PRO 27 HD3 PRO 27 4.096 -3.024 -11.125 195 HD3 PRO 27 HD2 PRO 27 2.407 -2.981 -10.563 196 H SER 28 H SER 28 5.238 -0.967 -12.434 197 HA SER 28 HA SER 28 7.563 0.669 -12.427 198 HB2 SER 28 HB3 SER 28 8.054 -0.187 -14.625 199 HB3 SER 28 HB2 SER 28 7.247 -1.497 -13.768 200 HG SER 28 HG SER 28 5.667 -1.419 -15.149 201 H ARG 29 H ARG 29 4.370 1.128 -13.784 202 HA ARG 29 HA ARG 29 4.862 3.499 -15.290 203 HB2 ARG 29 HB3 ARG 29 2.299 2.358 -14.118 204 HB3 ARG 29 HB2 ARG 29 2.344 3.747 -15.206 205 HG2 ARG 29 HG3 ARG 29 3.272 0.935 -15.870 206 HG3 ARG 29 HG2 ARG 29 1.764 1.689 -16.402 207 HD2 ARG 29 HD3 ARG 29 3.039 3.392 -17.643 208 HD3 ARG 29 HD2 ARG 29 4.555 2.666 -17.098 209 HE ARG 29 HE ARG 29 3.746 0.592 -18.315 210 HH11 ARG 29 HH11 ARG 29 2.793 3.742 -19.411 211 HH12 ARG 29 HH12 ARG 29 2.635 3.223 -21.051 212 HH21 ARG 29 HH21 ARG 29 3.507 -0.031 -20.406 213 HH22 ARG 29 HH22 ARG 29 3.018 1.119 -21.599 214 H ILE 30 H ILE 30 4.281 2.937 -11.865 215 HA ILE 30 HA ILE 30 3.982 5.859 -11.456 216 HB ILE 30 HB ILE 30 2.678 5.494 -9.474 217 HG12 ILE 30 HG12 ILE 30 2.982 2.472 -9.794 218 HG13 ILE 30 HG11 ILE 30 3.897 3.434 -8.640 219 HG21 ILE 30 HG21 ILE 30 1.631 3.627 -11.636 220 HG22 ILE 30 HG22 ILE 30 1.424 5.379 -11.591 221 HG23 ILE 30 HG23 ILE 30 0.667 4.373 -10.356 222 HD11 ILE 30 HD11 ILE 30 2.077 2.383 -7.507 223 HD12 ILE 30 HD12 ILE 30 0.916 3.011 -8.677 224 HD13 ILE 30 HD13 ILE 30 1.760 4.124 -7.586 225 H THR 31 H THR 31 6.380 3.597 -11.226 226 HA THR 31 HA THR 31 7.406 3.870 -8.618 227 HB THR 31 HB THR 31 9.749 3.370 -9.764 228 HG1 THR 31 HG1 THR 31 9.668 3.363 -11.850 229 HG21 THR 31 HG21 THR 31 9.236 0.960 -9.914 230 HG22 THR 31 HG22 THR 31 7.512 1.325 -9.860 231 HG23 THR 31 HG23 THR 31 8.528 1.683 -8.466 232 HA PRO 32 HA PRO 32 10.121 7.680 -10.027 233 HB2 PRO 32 HB3 PRO 32 9.215 9.230 -12.133 234 HB3 PRO 32 HB2 PRO 32 10.417 7.947 -12.301 235 HG2 PRO 32 HG3 PRO 32 7.480 7.875 -12.902 236 HG3 PRO 32 HG2 PRO 32 8.828 7.173 -13.818 237 HD2 PRO 32 HD3 PRO 32 7.230 5.681 -12.174 238 HD3 PRO 32 HD2 PRO 32 8.938 5.286 -12.454 239 H TYR 33 H TYR 33 6.607 7.755 -10.443 240 HA TYR 33 HA TYR 33 6.085 10.303 -9.308 241 HB2 TYR 33 HB2 TYR 33 4.375 9.070 -10.621 242 HB3 TYR 33 HB1 TYR 33 4.288 7.833 -9.368 243 HD1 TYR 33 HD1 TYR 33 2.489 8.021 -7.806 244 HD2 TYR 33 HD2 TYR 33 4.021 11.565 -9.687 245 HE1 TYR 33 HE1 TYR 33 0.841 9.412 -6.598 246 HE2 TYR 33 HE2 TYR 33 2.371 12.924 -8.496 247 HH TYR 33 HH TYR 33 0.642 11.796 -5.862 248 H LEU 34 H LEU 34 6.177 7.030 -7.843 249 HA LEU 34 HA LEU 34 5.545 7.902 -5.180 250 HB2 LEU 34 HB3 LEU 34 6.739 5.284 -6.153 251 HB3 LEU 34 HB2 LEU 34 6.183 5.577 -4.513 252 HG LEU 34 HG LEU 34 4.462 5.446 -7.019 253 HD11 LEU 34 HD11 LEU 34 4.614 3.604 -4.607 254 HD12 LEU 34 HD12 LEU 34 5.213 3.267 -6.233 255 HD13 LEU 34 HD13 LEU 34 3.486 3.453 -5.960 256 HD21 LEU 34 HD21 LEU 34 2.502 5.756 -5.548 257 HD22 LEU 34 HD22 LEU 34 3.545 7.173 -5.545 258 HD23 LEU 34 HD23 LEU 34 3.570 6.061 -4.173 259 H ARG 35 H ARG 35 8.605 7.291 -6.889 260 HA ARG 35 HA ARG 35 10.483 7.740 -4.836 261 HB2 ARG 35 HB3 ARG 35 10.514 8.493 -7.790 262 HB3 ARG 35 HB2 ARG 35 11.903 8.774 -6.753 263 HG2 ARG 35 HG3 ARG 35 10.818 5.984 -6.814 264 HG3 ARG 35 HG2 ARG 35 11.609 6.559 -8.279 265 HD2 ARG 35 HD3 ARG 35 13.195 5.367 -6.835 266 HD3 ARG 35 HD2 ARG 35 13.651 7.064 -7.006 267 HE ARG 35 HE ARG 35 12.100 6.350 -4.641 268 HH11 ARG 35 HH11 ARG 35 15.269 6.949 -5.917 269 HH12 ARG 35 HH12 ARG 35 15.934 7.266 -4.354 270 HH21 ARG 35 HH21 ARG 35 13.012 6.726 -2.675 271 HH22 ARG 35 HH22 ARG 35 14.689 7.129 -2.569 272 H GLN 36 H GLN 36 9.068 10.089 -7.107 273 HA GLN 36 HA GLN 36 9.923 12.495 -5.963 274 HB2 GLN 36 HB3 GLN 36 9.029 12.189 -8.254 275 HB3 GLN 36 HB2 GLN 36 7.427 11.887 -7.615 276 HG2 GLN 36 HG3 GLN 36 8.777 14.527 -7.077 277 HG3 GLN 36 HG2 GLN 36 8.052 14.225 -8.652 278 HE21 GLN 36 HE21 GLN 36 5.773 13.804 -8.730 279 HE22 GLN 36 HE22 GLN 36 4.732 14.435 -7.509 280 H CYS 37 H CYS 37 7.188 10.444 -5.087 281 HA CYS 37 HA CYS 37 5.970 12.373 -3.264 282 HB2 CYS 37 HB3 CYS 37 5.281 9.482 -3.905 283 HB3 CYS 37 HB2 CYS 37 4.360 10.488 -2.788 284 HG CYS 37 HG CYS 37 4.841 11.525 -5.991 285 H LYS 38 H LYS 38 8.717 10.639 -2.916 286 HA LYS 38 HA LYS 38 10.089 10.219 -1.173 287 HB2 LYS 38 HB3 LYS 38 7.970 11.627 0.502 288 HB3 LYS 38 HB2 LYS 38 9.493 11.062 1.163 289 HG2 LYS 38 HG3 LYS 38 9.857 13.339 0.823 290 HG3 LYS 38 HG2 LYS 38 10.629 12.592 -0.578 291 HD2 LYS 38 HD3 LYS 38 8.662 13.150 -1.967 292 HD3 LYS 38 HD2 LYS 38 7.852 13.848 -0.562 293 HE2 LYS 38 HE3 LYS 38 8.814 15.609 -1.979 294 HE3 LYS 38 HE2 LYS 38 9.623 15.577 -0.409 295 HZ1 LYS 38 HZ1 LYS 38 11.449 14.366 -1.404 296 HZ2 LYS 38 HZ2 LYS 38 11.182 15.802 -2.257 297 HZ3 LYS 38 HZ3 LYS 38 10.658 14.329 -2.898 298 H VAL 39 H VAL 39 7.432 8.410 -1.629 299 HA VAL 39 HA VAL 39 7.450 6.975 0.954 300 HB VAL 39 HB VAL 39 5.402 5.826 0.143 301 HG11 VAL 39 HG11 VAL 39 5.275 8.867 -0.078 302 HG12 VAL 39 HG12 VAL 39 5.184 7.927 1.413 303 HG13 VAL 39 HG13 VAL 39 3.895 7.801 0.215 304 HG21 VAL 39 HG21 VAL 39 5.853 5.794 -2.281 305 HG22 VAL 39 HG22 VAL 39 5.689 7.548 -2.358 306 HG23 VAL 39 HG23 VAL 39 4.287 6.549 -1.964 307 H LEU 40 H LEU 40 8.390 6.491 -2.401 308 HA LEU 40 HA LEU 40 8.939 3.628 -1.992 309 HB2 LEU 40 HB3 LEU 40 7.722 4.411 -4.013 310 HB3 LEU 40 HB2 LEU 40 9.127 5.324 -4.513 311 HG LEU 40 HG LEU 40 9.441 2.343 -4.151 312 HD11 LEU 40 HD11 LEU 40 8.636 1.877 -6.425 313 HD12 LEU 40 HD12 LEU 40 8.100 3.553 -6.586 314 HD13 LEU 40 HD13 LEU 40 7.342 2.493 -5.395 315 HD21 LEU 40 HD21 LEU 40 11.412 3.679 -4.743 316 HD22 LEU 40 HD22 LEU 40 10.593 4.271 -6.189 317 HD23 LEU 40 HD23 LEU 40 10.992 2.558 -6.037 318 H ASN 41 H ASN 41 10.925 2.858 -1.656 319 HA ASN 41 HA ASN 41 13.158 4.681 -1.168 320 HB2 ASN 41 HB3 ASN 41 12.917 1.662 -0.711 321 HB3 ASN 41 HB2 ASN 41 14.196 2.701 -0.087 322 HD21 ASN 41 HD21 ASN 41 10.829 1.814 0.216 323 HD22 ASN 41 HD22 ASN 41 10.568 2.571 1.744 324 HA PRO 42 HA PRO 42 15.541 3.706 -4.906 325 HB2 PRO 42 HB3 PRO 42 18.135 3.468 -3.967 326 HB3 PRO 42 HB2 PRO 42 17.308 5.017 -4.167 327 HG2 PRO 42 HG3 PRO 42 17.638 3.357 -1.667 328 HG3 PRO 42 HG2 PRO 42 17.868 5.106 -1.879 329 HD2 PRO 42 HD3 PRO 42 15.606 4.127 -0.794 330 HD3 PRO 42 HD2 PRO 42 15.560 5.541 -1.875 331 H ASP 43 H ASP 43 16.257 1.622 -2.113 332 HA ASP 43 HA ASP 43 17.025 -0.724 -3.577 333 HB2 ASP 43 HB3 ASP 43 16.727 -1.874 -1.339 334 HB3 ASP 43 HB2 ASP 43 17.809 -0.486 -1.301 335 H ASP 44 H ASP 44 13.945 0.598 -2.483 336 HA ASP 44 HA ASP 44 12.351 -1.729 -2.995 337 HB2 ASP 44 HB3 ASP 44 11.641 0.182 -1.494 338 HB3 ASP 44 HB2 ASP 44 11.442 1.178 -2.930 339 H GLU 45 H GLU 45 13.324 1.080 -4.925 340 HA GLU 45 HA GLU 45 11.809 0.535 -7.261 341 HB2 GLU 45 HB3 GLU 45 13.024 2.709 -6.704 342 HB3 GLU 45 HB2 GLU 45 14.532 1.911 -7.138 343 HG2 GLU 45 HG3 GLU 45 13.592 1.531 -9.441 344 HG3 GLU 45 HG2 GLU 45 12.172 2.463 -8.963 345 H GLU 46 H GLU 46 15.109 -0.374 -6.285 346 HA GLU 46 HA GLU 46 15.950 -2.006 -8.389 347 HB2 GLU 46 HB3 GLU 46 17.408 -1.325 -6.523 348 HB3 GLU 46 HB2 GLU 46 16.444 -2.258 -5.390 349 HG2 GLU 46 HG3 GLU 46 18.474 -3.453 -5.794 350 HG3 GLU 46 HG2 GLU 46 17.164 -4.346 -6.560 351 H GLN 47 H GLN 47 13.988 -2.832 -5.549 352 HA GLN 47 HA GLN 47 13.655 -5.605 -5.959 353 HB2 GLN 47 HB3 GLN 47 13.201 -4.531 -3.796 354 HB3 GLN 47 HB2 GLN 47 11.910 -3.574 -4.501 355 HG2 GLN 47 HG3 GLN 47 10.838 -5.268 -3.252 356 HG3 GLN 47 HG2 GLN 47 10.673 -5.758 -4.934 357 HE21 GLN 47 HE21 GLN 47 10.505 -7.389 -2.515 358 HE22 GLN 47 HE22 GLN 47 11.703 -8.622 -2.681 359 H VAL 48 H VAL 48 11.358 -2.946 -6.645 360 HA VAL 48 HA VAL 48 9.319 -4.497 -7.824 361 HB VAL 48 HB VAL 48 9.871 -1.503 -8.000 362 HG11 VAL 48 HG11 VAL 48 7.502 -1.242 -8.729 363 HG12 VAL 48 HG12 VAL 48 7.355 -2.996 -8.841 364 HG13 VAL 48 HG13 VAL 48 8.465 -2.136 -9.911 365 HG21 VAL 48 HG21 VAL 48 9.425 -2.316 -5.702 366 HG22 VAL 48 HG22 VAL 48 7.917 -3.055 -6.246 367 HG23 VAL 48 HG23 VAL 48 8.098 -1.300 -6.276 368 H LEU 49 H LEU 49 11.895 -2.535 -9.360 369 HA LEU 49 HA LEU 49 10.978 -3.196 -12.050 370 HB2 LEU 49 HB3 LEU 49 13.407 -1.593 -11.171 371 HB3 LEU 49 HB2 LEU 49 12.810 -1.724 -12.820 372 HG LEU 49 HG LEU 49 11.437 -0.338 -10.482 373 HD11 LEU 49 HD11 LEU 49 12.523 0.782 -13.087 374 HD12 LEU 49 HD12 LEU 49 13.250 0.955 -11.487 375 HD13 LEU 49 HD13 LEU 49 11.689 1.698 -11.826 376 HD21 LEU 49 HD21 LEU 49 9.625 0.274 -12.048 377 HD22 LEU 49 HD22 LEU 49 9.713 -1.466 -11.796 378 HD23 LEU 49 HD23 LEU 49 10.341 -0.762 -13.289 379 H SER 50 H SER 50 12.504 -5.173 -10.007 380 HA SER 50 HA SER 50 14.587 -6.254 -11.699 381 HB2 SER 50 HB3 SER 50 14.553 -6.613 -9.226 382 HB3 SER 50 HB2 SER 50 13.111 -7.613 -9.398 383 HG SER 50 HG SER 50 15.174 -8.387 -11.049 384 H ASP 51 H ASP 51 11.209 -6.343 -11.921 385 HA ASP 51 HA ASP 51 11.091 -8.808 -13.532 386 HB2 ASP 51 HB3 ASP 51 9.087 -7.092 -12.108 387 HB3 ASP 51 HB2 ASP 51 8.533 -7.762 -13.634 388 HA PRO 52 HA PRO 52 11.544 -5.981 -17.162 389 HB2 PRO 52 HB3 PRO 52 12.217 -7.887 -19.002 390 HB3 PRO 52 HB2 PRO 52 13.378 -7.254 -17.829 391 HG2 PRO 52 HG3 PRO 52 11.804 -9.824 -17.735 392 HG3 PRO 52 HG2 PRO 52 13.516 -9.549 -17.349 393 HD2 PRO 52 HD3 PRO 52 11.558 -9.727 -15.430 394 HD3 PRO 52 HD2 PRO 52 13.037 -8.767 -15.211 395 H ASN 53 H ASN 53 9.824 -9.142 -17.349 396 HA ASN 53 HA ASN 53 7.884 -8.152 -19.301 397 HB2 ASN 53 HB3 ASN 53 8.029 -10.845 -17.865 398 HB3 ASN 53 HB2 ASN 53 6.948 -10.453 -19.201 399 HD21 ASN 53 HD21 ASN 53 10.251 -11.116 -18.294 400 HD22 ASN 53 HD22 ASN 53 10.848 -11.368 -19.895 401 H LEU 54 H LEU 54 8.207 -8.210 -15.903 402 HA LEU 54 HA LEU 54 6.956 -7.429 -14.198 403 HB2 LEU 54 HB3 LEU 54 5.336 -6.285 -16.498 404 HB3 LEU 54 HB2 LEU 54 4.998 -5.891 -14.823 405 HG LEU 54 HG LEU 54 7.715 -5.364 -16.088 406 HD11 LEU 54 HD11 LEU 54 5.402 -3.410 -15.912 407 HD12 LEU 54 HD12 LEU 54 6.060 -4.131 -17.385 408 HD13 LEU 54 HD13 LEU 54 7.053 -3.037 -16.426 409 HD21 LEU 54 HD21 LEU 54 7.998 -3.785 -14.209 410 HD22 LEU 54 HD22 LEU 54 7.723 -5.427 -13.639 411 HD23 LEU 54 HD23 LEU 54 6.413 -4.244 -13.573 412 H VAL 55 H VAL 55 6.575 -10.097 -14.816 413 HA VAL 55 HA VAL 55 3.791 -10.834 -15.052 414 HB VAL 55 HB VAL 55 6.139 -12.615 -14.244 415 HG11 VAL 55 HG11 VAL 55 3.417 -13.348 -15.408 416 HG12 VAL 55 HG12 VAL 55 3.948 -13.637 -13.750 417 HG13 VAL 55 HG13 VAL 55 4.731 -14.482 -15.084 418 HG21 VAL 55 HG21 VAL 55 6.624 -11.507 -16.391 419 HG22 VAL 55 HG22 VAL 55 5.075 -12.050 -17.039 420 HG23 VAL 55 HG23 VAL 55 6.322 -13.230 -16.633 421 H ILE 56 H ILE 56 6.162 -10.763 -12.399 422 HA ILE 56 HA ILE 56 4.397 -12.094 -10.506 423 HB ILE 56 HB ILE 56 7.170 -10.941 -9.954 424 HG12 ILE 56 HG12 ILE 56 6.493 -13.729 -11.014 425 HG13 ILE 56 HG11 ILE 56 7.254 -12.448 -11.949 426 HG21 ILE 56 HG21 ILE 56 7.313 -12.695 -8.199 427 HG22 ILE 56 HG22 ILE 56 5.674 -13.218 -8.586 428 HG23 ILE 56 HG23 ILE 56 5.951 -11.610 -7.916 429 HD11 ILE 56 HD11 ILE 56 8.449 -13.838 -9.550 430 HD12 ILE 56 HD12 ILE 56 9.217 -12.552 -10.487 431 HD13 ILE 56 HD13 ILE 56 8.867 -14.106 -11.242 432 H ARG 57 H ARG 57 4.136 -9.069 -11.551 433 HA ARG 57 HA ARG 57 4.095 -7.311 -9.379 434 HB2 ARG 57 HB3 ARG 57 2.239 -7.442 -11.780 435 HB3 ARG 57 HB2 ARG 57 2.222 -6.112 -10.623 436 HG2 ARG 57 HG3 ARG 57 4.582 -5.607 -11.192 437 HG3 ARG 57 HG2 ARG 57 4.556 -6.905 -12.393 438 HD2 ARG 57 HD3 ARG 57 2.728 -4.475 -12.412 439 HD3 ARG 57 HD2 ARG 57 4.189 -4.653 -13.381 440 HE ARG 57 HE ARG 57 3.108 -6.489 -14.553 441 HH11 ARG 57 HH11 ARG 57 0.948 -4.462 -12.759 442 HH12 ARG 57 HH12 ARG 57 -0.395 -4.864 -13.761 443 HH21 ARG 57 HH21 ARG 57 1.372 -6.966 -15.800 444 HH22 ARG 57 HH22 ARG 57 -0.162 -6.253 -15.450 445 H LYS 58 H LYS 58 1.872 -9.898 -10.112 446 HA LYS 58 HA LYS 58 -0.334 -9.181 -8.509 447 HB2 LYS 58 HB3 LYS 58 0.673 -11.952 -9.251 448 HB3 LYS 58 HB2 LYS 58 -0.946 -11.580 -8.655 449 HG2 LYS 58 HG3 LYS 58 -1.388 -10.207 -10.658 450 HG3 LYS 58 HG2 LYS 58 0.251 -10.511 -11.240 451 HD2 LYS 58 HD3 LYS 58 -1.304 -11.952 -12.429 452 HD3 LYS 58 HD2 LYS 58 -0.275 -12.939 -11.390 453 HE2 LYS 58 HE3 LYS 58 -2.111 -13.067 -9.722 454 HE3 LYS 58 HE2 LYS 58 -3.137 -12.100 -10.783 455 HZ1 LYS 58 HZ1 LYS 58 -3.624 -14.427 -11.013 456 HZ2 LYS 58 HZ2 LYS 58 -2.016 -14.780 -11.389 457 HZ3 LYS 58 HZ3 LYS 58 -2.947 -13.854 -12.454 458 H ARG 59 H ARG 59 2.757 -10.598 -7.596 459 HA ARG 59 HA ARG 59 2.016 -10.645 -4.749 460 HB2 ARG 59 HB3 ARG 59 4.625 -11.290 -6.184 461 HB3 ARG 59 HB2 ARG 59 4.447 -11.316 -4.426 462 HG2 ARG 59 HG3 ARG 59 2.710 -13.056 -4.631 463 HG3 ARG 59 HG2 ARG 59 2.913 -13.052 -6.386 464 HD2 ARG 59 HD3 ARG 59 5.269 -13.781 -6.105 465 HD3 ARG 59 HD2 ARG 59 5.052 -13.802 -4.350 466 HE ARG 59 HE ARG 59 3.086 -15.447 -5.376 467 HH11 ARG 59 HH11 ARG 59 6.551 -15.454 -5.448 468 HH12 ARG 59 HH12 ARG 59 6.640 -17.173 -5.552 469 HH21 ARG 59 HH21 ARG 59 3.239 -17.630 -5.524 470 HH22 ARG 59 HH22 ARG 59 4.787 -18.389 -5.592 471 H LYS 60 H LYS 60 4.063 -8.803 -7.004 472 HA LYS 60 HA LYS 60 5.551 -7.477 -4.953 473 HB2 LYS 60 HB3 LYS 60 5.453 -6.921 -7.936 474 HB3 LYS 60 HB2 LYS 60 6.659 -6.275 -6.820 475 HG2 LYS 60 HG3 LYS 60 7.441 -8.549 -6.309 476 HG3 LYS 60 HG2 LYS 60 6.199 -9.228 -7.361 477 HD2 LYS 60 HD3 LYS 60 8.280 -9.265 -8.565 478 HD3 LYS 60 HD2 LYS 60 7.265 -8.021 -9.296 479 HE2 LYS 60 HE3 LYS 60 8.515 -6.276 -8.109 480 HE3 LYS 60 HE2 LYS 60 9.482 -7.497 -7.282 481 HZ1 LYS 60 HZ1 LYS 60 9.464 -6.890 -10.181 482 HZ2 LYS 60 HZ2 LYS 60 10.247 -8.226 -9.512 483 HZ3 LYS 60 HZ3 LYS 60 10.734 -6.660 -9.086 484 H VAL 61 H VAL 61 2.615 -6.465 -6.632 485 HA VAL 61 HA VAL 61 2.688 -3.721 -5.751 486 HB VAL 61 HB VAL 61 0.221 -5.402 -6.399 487 HG11 VAL 61 HG11 VAL 61 -0.961 -3.247 -6.742 488 HG12 VAL 61 HG12 VAL 61 0.488 -2.371 -6.240 489 HG13 VAL 61 HG13 VAL 61 -0.364 -3.398 -5.085 490 HG21 VAL 61 HG21 VAL 61 1.737 -3.529 -8.249 491 HG22 VAL 61 HG22 VAL 61 0.249 -4.388 -8.642 492 HG23 VAL 61 HG23 VAL 61 1.737 -5.290 -8.346 493 H GLY 62 H GLY 62 1.369 -6.756 -4.464 494 HA2 GLY 62 HA3 GLY 62 0.229 -5.822 -2.051 495 HA3 GLY 62 HA2 GLY 62 0.823 -7.458 -2.353 496 H VAL 63 H VAL 63 3.502 -6.974 -2.802 497 HA VAL 63 HA VAL 63 4.679 -6.686 -0.232 498 HB VAL 63 HB VAL 63 5.981 -6.624 -2.994 499 HG11 VAL 63 HG11 VAL 63 8.120 -7.177 -1.847 500 HG12 VAL 63 HG12 VAL 63 7.328 -6.975 -0.283 501 HG13 VAL 63 HG13 VAL 63 7.506 -5.593 -1.364 502 HG21 VAL 63 HG21 VAL 63 4.783 -8.732 -2.548 503 HG22 VAL 63 HG22 VAL 63 5.662 -8.931 -1.031 504 HG23 VAL 63 HG23 VAL 63 6.528 -9.005 -2.567 505 H LEU 64 H LEU 64 4.527 -4.496 -3.046 506 HA LEU 64 HA LEU 64 5.943 -2.292 -2.092 507 HB2 LEU 64 HB3 LEU 64 5.204 -2.483 -4.424 508 HB3 LEU 64 HB2 LEU 64 3.523 -2.387 -3.934 509 HG LEU 64 HG LEU 64 3.858 -0.020 -3.229 510 HD11 LEU 64 HD11 LEU 64 6.214 -0.050 -2.628 511 HD12 LEU 64 HD12 LEU 64 5.904 1.201 -3.827 512 HD13 LEU 64 HD13 LEU 64 6.674 -0.310 -4.314 513 HD21 LEU 64 HD21 LEU 64 4.683 -0.549 -6.104 514 HD22 LEU 64 HD22 LEU 64 4.022 0.962 -5.474 515 HD23 LEU 64 HD23 LEU 64 3.029 -0.492 -5.488 516 H LEU 65 H LEU 65 2.398 -2.857 -1.839 517 HA LEU 65 HA LEU 65 1.598 -0.658 -0.321 518 HB2 LEU 65 HB3 LEU 65 0.518 -3.507 -0.280 519 HB3 LEU 65 HB2 LEU 65 -0.295 -2.155 0.494 520 HG LEU 65 HG LEU 65 0.219 -2.420 -2.497 521 HD11 LEU 65 HD11 LEU 65 -2.200 -2.749 -2.722 522 HD12 LEU 65 HD12 LEU 65 -2.390 -2.713 -0.968 523 HD13 LEU 65 HD13 LEU 65 -1.477 -4.017 -1.732 524 HD21 LEU 65 HD21 LEU 65 0.262 -0.081 -1.802 525 HD22 LEU 65 HD22 LEU 65 -1.283 -0.267 -0.969 526 HD23 LEU 65 HD23 LEU 65 -1.200 -0.422 -2.724 527 H ASP 66 H ASP 66 2.656 -3.843 0.807 528 HA ASP 66 HA ASP 66 2.436 -3.559 3.573 529 HB2 ASP 66 HB3 ASP 66 2.768 -5.704 2.382 530 HB3 ASP 66 HB2 ASP 66 4.403 -5.224 1.940 531 H ILE 67 H ILE 67 5.175 -2.784 1.443 532 HA ILE 67 HA ILE 67 6.967 -1.859 3.489 533 HB ILE 67 HB ILE 67 6.962 -1.564 0.457 534 HG12 ILE 67 HG12 ILE 67 8.671 -3.307 2.289 535 HG13 ILE 67 HG11 ILE 67 7.241 -3.872 1.434 536 HG21 ILE 67 HG21 ILE 67 9.328 -0.823 0.584 537 HG22 ILE 67 HG22 ILE 67 9.205 -0.739 2.341 538 HG23 ILE 67 HG23 ILE 67 8.239 0.344 1.340 539 HD11 ILE 67 HD11 ILE 67 9.783 -2.880 0.155 540 HD12 ILE 67 HD12 ILE 67 8.352 -3.474 -0.693 541 HD13 ILE 67 HD13 ILE 67 9.282 -4.561 0.337 542 H LEU 68 H LEU 68 4.587 -0.233 1.391 543 HA LEU 68 HA LEU 68 5.283 2.460 2.094 544 HB2 LEU 68 HB3 LEU 68 2.657 1.369 1.016 545 HB3 LEU 68 HB2 LEU 68 3.061 3.074 1.129 546 HG LEU 68 HG LEU 68 4.385 1.021 -0.681 547 HD11 LEU 68 HD11 LEU 68 3.412 2.303 -2.528 548 HD12 LEU 68 HD12 LEU 68 2.607 3.376 -1.380 549 HD13 LEU 68 HD13 LEU 68 2.168 1.667 -1.453 550 HD21 LEU 68 HD21 LEU 68 6.072 2.622 0.081 551 HD22 LEU 68 HD22 LEU 68 5.051 3.970 -0.420 552 HD23 LEU 68 HD23 LEU 68 5.706 2.862 -1.627 553 H GLN 69 H GLN 69 3.219 0.012 3.601 554 HA GLN 69 HA GLN 69 1.776 1.519 5.471 555 HB2 GLN 69 HB3 GLN 69 2.985 -1.258 5.783 556 HB3 GLN 69 HB2 GLN 69 1.851 -0.560 6.935 557 HG2 GLN 69 HG3 GLN 69 0.141 -0.414 5.179 558 HG3 GLN 69 HG2 GLN 69 1.270 -1.085 4.008 559 HE21 GLN 69 HE21 GLN 69 -0.165 -2.803 3.570 560 HE22 GLN 69 HE22 GLN 69 -0.401 -4.104 4.679 561 H ARG 70 H ARG 70 5.199 0.694 5.492 562 HA ARG 70 HA ARG 70 5.865 1.428 8.150 563 HB2 ARG 70 HB3 ARG 70 7.471 1.132 5.609 564 HB3 ARG 70 HB2 ARG 70 8.230 1.896 6.995 565 HG2 ARG 70 HG3 ARG 70 8.848 -0.421 6.981 566 HG3 ARG 70 HG2 ARG 70 7.774 -0.141 8.349 567 HD2 ARG 70 HD3 ARG 70 5.900 -1.126 7.040 568 HD3 ARG 70 HD2 ARG 70 7.022 -1.445 5.709 569 HE ARG 70 HE ARG 70 7.986 -2.577 8.129 570 HH11 ARG 70 HH11 ARG 70 5.627 -3.189 5.691 571 HH12 ARG 70 HH12 ARG 70 5.620 -4.884 5.989 572 HH21 ARG 70 HH21 ARG 70 7.943 -4.728 8.498 573 HH22 ARG 70 HH22 ARG 70 6.910 -5.744 7.559 574 H THR 71 H THR 71 5.153 3.454 5.363 575 HA THR 71 HA THR 71 6.215 5.873 6.710 576 HB THR 71 HB THR 71 5.686 7.114 4.679 577 HG1 THR 71 HG1 THR 71 4.706 4.810 3.384 578 HG21 THR 71 HG21 THR 71 6.935 4.445 3.917 579 HG22 THR 71 HG22 THR 71 7.798 5.828 4.594 580 HG23 THR 71 HG23 THR 71 7.066 5.943 2.991 581 H GLY 72 H GLY 72 3.471 4.050 6.995 582 HA2 GLY 72 HA3 GLY 72 1.501 4.403 8.113 583 HA3 GLY 72 HA2 GLY 72 2.076 6.012 8.516 584 H HIS 73 H HIS 73 0.644 7.516 7.890 585 HA HIS 73 HA HIS 73 -1.401 6.973 5.945 586 HB2 HIS 73 HB2 HIS 73 -1.635 8.379 8.100 587 HB3 HIS 73 HB1 HIS 73 -0.882 9.696 7.204 588 HD2 HIS 73 HD2 HIS 73 -2.566 11.020 5.426 589 HE1 HIS 73 HE1 HIS 73 -5.961 8.597 6.143 590 HE2 HIS 73 HE2 HIS 73 -5.065 10.597 4.885 591 H LYS 74 H LYS 74 1.693 8.590 5.823 592 HA LYS 74 HA LYS 74 1.406 10.260 3.572 593 HB2 LYS 74 HB3 LYS 74 3.818 8.726 4.604 594 HB3 LYS 74 HB2 LYS 74 3.920 9.951 3.340 595 HG2 LYS 74 HG3 LYS 74 3.274 11.699 4.848 596 HG3 LYS 74 HG2 LYS 74 2.796 10.538 6.091 597 HD2 LYS 74 HD3 LYS 74 4.963 11.590 6.636 598 HD3 LYS 74 HD2 LYS 74 5.124 9.851 6.402 599 HE2 LYS 74 HE3 LYS 74 5.982 10.291 4.083 600 HE3 LYS 74 HE2 LYS 74 5.917 12.023 4.421 601 HZ1 LYS 74 HZ1 LYS 74 8.124 11.207 4.775 602 HZ2 LYS 74 HZ2 LYS 74 7.577 10.000 5.823 603 HZ3 LYS 74 HZ3 LYS 74 7.470 11.626 6.278 604 H GLY 75 H GLY 75 2.497 6.846 3.701 605 HA2 GLY 75 HA3 GLY 75 2.741 6.348 0.931 606 HA3 GLY 75 HA2 GLY 75 2.435 5.140 2.169 607 H TYR 76 H TYR 76 -0.038 6.096 3.100 608 HA TYR 76 HA TYR 76 -1.907 4.898 1.377 609 HB2 TYR 76 HB2 TYR 76 -2.230 5.066 3.811 610 HB3 TYR 76 HB1 TYR 76 -2.343 6.818 3.706 611 HD1 TYR 76 HD1 TYR 76 -4.516 7.737 3.746 612 HD2 TYR 76 HD2 TYR 76 -4.011 3.769 2.250 613 HE1 TYR 76 HE1 TYR 76 -6.951 7.525 3.492 614 HE2 TYR 76 HE2 TYR 76 -6.442 3.555 1.995 615 HH TYR 76 HH TYR 76 -8.489 4.545 2.929 616 H VAL 77 H VAL 77 -1.289 8.371 2.024 617 HA VAL 77 HA VAL 77 -3.244 9.466 0.292 618 HB VAL 77 HB VAL 77 -0.614 10.731 1.202 619 HG11 VAL 77 HG11 VAL 77 -1.682 12.918 0.692 620 HG12 VAL 77 HG12 VAL 77 -3.082 12.077 0.026 621 HG13 VAL 77 HG13 VAL 77 -1.509 11.925 -0.758 622 HG21 VAL 77 HG21 VAL 77 -2.041 10.088 3.103 623 HG22 VAL 77 HG22 VAL 77 -3.395 10.977 2.407 624 HG23 VAL 77 HG23 VAL 77 -1.956 11.844 2.951 625 H ALA 78 H ALA 78 0.273 9.008 -0.200 626 HA ALA 78 HA ALA 78 0.474 9.891 -2.857 627 HB1 ALA 78 HB1 ALA 78 2.626 8.694 -2.910 628 HB2 ALA 78 HB2 ALA 78 2.176 7.812 -1.446 629 HB3 ALA 78 HB3 ALA 78 2.417 9.558 -1.385 630 H PHE 79 H PHE 79 -0.340 6.680 -1.576 631 HA PHE 79 HA PHE 79 -0.412 5.295 -4.066 632 HB2 PHE 79 HB2 PHE 79 -0.246 4.094 -1.919 633 HB3 PHE 79 HB1 PHE 79 -1.847 4.664 -1.451 634 HD1 PHE 79 HD1 PHE 79 -3.605 3.127 -1.731 635 HD2 PHE 79 HD2 PHE 79 -0.229 2.890 -4.346 636 HE1 PHE 79 HE1 PHE 79 -4.601 1.178 -2.848 637 HE2 PHE 79 HE2 PHE 79 -1.230 0.946 -5.453 638 HZ PHE 79 HZ PHE 79 -3.415 0.086 -4.708 639 H LEU 80 H LEU 80 -3.007 6.896 -2.138 640 HA LEU 80 HA LEU 80 -5.159 6.398 -3.914 641 HB2 LEU 80 HB3 LEU 80 -4.739 8.708 -1.982 642 HB3 LEU 80 HB2 LEU 80 -6.241 8.431 -2.852 643 HG LEU 80 HG LEU 80 -5.023 6.639 -0.718 644 HD11 LEU 80 HD11 LEU 80 -6.090 8.643 0.169 645 HD12 LEU 80 HD12 LEU 80 -7.030 7.212 0.575 646 HD13 LEU 80 HD13 LEU 80 -7.575 8.284 -0.718 647 HD21 LEU 80 HD21 LEU 80 -6.040 5.207 -2.422 648 HD22 LEU 80 HD22 LEU 80 -7.536 6.143 -2.362 649 HD23 LEU 80 HD23 LEU 80 -7.023 5.202 -0.958 650 H GLU 81 H GLU 81 -2.716 8.939 -3.906 651 HA GLU 81 HA GLU 81 -3.843 10.577 -5.949 652 HB2 GLU 81 HB3 GLU 81 -1.005 10.332 -4.885 653 HB3 GLU 81 HB2 GLU 81 -1.494 11.542 -6.068 654 HG2 GLU 81 HG3 GLU 81 -2.517 11.281 -3.225 655 HG3 GLU 81 HG2 GLU 81 -1.416 12.513 -3.837 656 H SER 82 H SER 82 -1.284 8.036 -6.018 657 HA SER 82 HA SER 82 -0.790 8.098 -8.815 658 HB2 SER 82 HB3 SER 82 0.279 5.884 -8.526 659 HB3 SER 82 HB2 SER 82 0.752 6.978 -7.228 660 HG SER 82 HG SER 82 -0.448 5.863 -5.823 661 H LEU 83 H LEU 83 -3.164 6.247 -6.910 662 HA LEU 83 HA LEU 83 -4.363 4.771 -8.992 663 HB2 LEU 83 HB3 LEU 83 -5.538 5.876 -6.418 664 HB3 LEU 83 HB2 LEU 83 -6.475 4.895 -7.531 665 HG LEU 83 HG LEU 83 -4.026 4.001 -5.969 666 HD11 LEU 83 HD11 LEU 83 -6.045 4.172 -4.598 667 HD12 LEU 83 HD12 LEU 83 -5.587 2.487 -4.825 668 HD13 LEU 83 HD13 LEU 83 -6.937 3.161 -5.741 669 HD21 LEU 83 HD21 LEU 83 -5.660 2.434 -7.999 670 HD22 LEU 83 HD22 LEU 83 -4.428 1.755 -6.932 671 HD23 LEU 83 HD23 LEU 83 -3.971 2.933 -8.157 672 H GLU 84 H GLU 84 -5.613 7.838 -7.562 673 HA GLU 84 HA GLU 84 -7.623 8.352 -9.421 674 HB2 GLU 84 HB3 GLU 84 -7.372 9.515 -7.218 675 HB3 GLU 84 HB2 GLU 84 -6.016 10.422 -7.868 676 HG2 GLU 84 HG3 GLU 84 -7.853 11.904 -7.935 677 HG3 GLU 84 HG2 GLU 84 -7.627 11.377 -9.598 678 H LEU 85 H LEU 85 -4.186 9.046 -9.694 679 HA LEU 85 HA LEU 85 -4.362 10.804 -11.977 680 HB2 LEU 85 HB3 LEU 85 -2.505 10.571 -10.118 681 HB3 LEU 85 HB2 LEU 85 -1.847 9.329 -11.159 682 HG LEU 85 HG LEU 85 -2.252 12.234 -12.003 683 HD11 LEU 85 HD11 LEU 85 0.159 12.547 -11.666 684 HD12 LEU 85 HD12 LEU 85 0.306 10.897 -11.054 685 HD13 LEU 85 HD13 LEU 85 -0.637 12.091 -10.158 686 HD21 LEU 85 HD21 LEU 85 -0.750 11.715 -13.890 687 HD22 LEU 85 HD22 LEU 85 -2.186 10.694 -13.928 688 HD23 LEU 85 HD23 LEU 85 -0.654 10.028 -13.365 689 H TYR 86 H TYR 86 -3.310 7.365 -11.565 690 HA TYR 86 HA TYR 86 -3.026 7.079 -14.493 691 HB2 TYR 86 HB2 TYR 86 -2.095 5.336 -12.175 692 HB3 TYR 86 HB1 TYR 86 -1.885 4.884 -13.866 693 HD1 TYR 86 HD1 TYR 86 -0.851 7.341 -11.258 694 HD2 TYR 86 HD2 TYR 86 -0.166 5.932 -15.236 695 HE1 TYR 86 HE1 TYR 86 1.211 8.675 -11.377 696 HE2 TYR 86 HE2 TYR 86 1.892 7.261 -15.349 697 HH TYR 86 HH TYR 86 2.841 9.269 -14.293 698 H TYR 87 H TYR 87 -4.725 5.437 -11.824 699 HA TYR 87 HA TYR 87 -6.616 4.227 -13.789 700 HB2 TYR 87 HB2 TYR 87 -5.773 3.099 -11.079 701 HB3 TYR 87 HB1 TYR 87 -6.937 2.367 -12.171 702 HD1 TYR 87 HD1 TYR 87 -3.500 2.419 -11.189 703 HD2 TYR 87 HD2 TYR 87 -6.052 1.677 -14.539 704 HE1 TYR 87 HE1 TYR 87 -1.735 1.064 -12.234 705 HE2 TYR 87 HE2 TYR 87 -4.287 0.319 -15.578 706 HH TYR 87 HH TYR 87 -1.765 -0.948 -14.015 707 HA PRO 88 HA PRO 88 -8.858 7.391 -10.983 708 HB2 PRO 88 HB3 PRO 88 -10.535 7.568 -13.488 709 HB3 PRO 88 HB2 PRO 88 -9.972 8.862 -12.417 710 HG2 PRO 88 HG3 PRO 88 -8.777 8.484 -14.757 711 HG3 PRO 88 HG2 PRO 88 -7.793 8.832 -13.316 712 HD2 PRO 88 HD3 PRO 88 -8.289 6.177 -14.679 713 HD3 PRO 88 HD2 PRO 88 -6.775 6.841 -14.028 714 H GLN 89 H GLN 89 -10.376 4.992 -13.170 715 HA GLN 89 HA GLN 89 -12.844 4.798 -11.718 716 HB2 GLN 89 HB3 GLN 89 -11.674 2.864 -13.760 717 HB3 GLN 89 HB2 GLN 89 -13.350 2.906 -13.223 718 HG2 GLN 89 HG3 GLN 89 -11.919 5.094 -14.764 719 HG3 GLN 89 HG2 GLN 89 -13.081 3.949 -15.433 720 HE21 GLN 89 HE21 GLN 89 -15.307 4.191 -14.873 721 HE22 GLN 89 HE22 GLN 89 -15.920 5.678 -14.245 722 H LEU 90 H LEU 90 -9.827 2.930 -11.674 723 HA LEU 90 HA LEU 90 -10.651 0.898 -9.846 724 HB2 LEU 90 HB3 LEU 90 -8.626 0.638 -11.213 725 HB3 LEU 90 HB2 LEU 90 -7.892 2.026 -10.431 726 HG LEU 90 HG LEU 90 -7.820 0.765 -8.273 727 HD11 LEU 90 HD11 LEU 90 -8.830 -1.597 -9.882 728 HD12 LEU 90 HD12 LEU 90 -9.699 -0.749 -8.600 729 HD13 LEU 90 HD13 LEU 90 -8.235 -1.648 -8.219 730 HD21 LEU 90 HD21 LEU 90 -6.422 -0.644 -10.571 731 HD22 LEU 90 HD22 LEU 90 -5.972 -0.738 -8.866 732 HD23 LEU 90 HD23 LEU 90 -5.847 0.795 -9.723 733 H TYR 91 H TYR 91 -9.063 4.075 -9.373 734 HA TYR 91 HA TYR 91 -8.746 4.171 -6.618 735 HB2 TYR 91 HB2 TYR 91 -7.922 6.004 -7.950 736 HB3 TYR 91 HB1 TYR 91 -9.519 6.365 -8.584 737 HD1 TYR 91 HD1 TYR 91 -7.317 6.696 -5.596 738 HD2 TYR 91 HD2 TYR 91 -11.100 7.740 -7.295 739 HE1 TYR 91 HE1 TYR 91 -7.668 8.374 -3.829 740 HE2 TYR 91 HE2 TYR 91 -11.437 9.407 -5.536 741 HH TYR 91 HH TYR 91 -8.979 10.477 -3.513 742 H LYS 92 H LYS 92 -11.615 5.194 -8.469 743 HA LYS 92 HA LYS 92 -13.220 5.904 -6.230 744 HB2 LYS 92 HB3 LYS 92 -14.125 5.224 -9.059 745 HB3 LYS 92 HB2 LYS 92 -15.034 6.155 -7.867 746 HG2 LYS 92 HG3 LYS 92 -13.393 7.953 -7.939 747 HG3 LYS 92 HG2 LYS 92 -12.350 7.005 -8.997 748 HD2 LYS 92 HD3 LYS 92 -14.359 7.036 -10.660 749 HD3 LYS 92 HD2 LYS 92 -14.998 8.330 -9.644 750 HE2 LYS 92 HE3 LYS 92 -12.374 8.335 -11.177 751 HE3 LYS 92 HE2 LYS 92 -13.802 9.308 -11.516 752 HZ1 LYS 92 HZ1 LYS 92 -13.461 10.401 -9.347 753 HZ2 LYS 92 HZ2 LYS 92 -12.175 10.641 -10.416 754 HZ3 LYS 92 HZ3 LYS 92 -12.019 9.537 -9.149 755 H LYS 93 H LYS 93 -12.801 2.871 -7.981 756 HA LYS 93 HA LYS 93 -14.898 1.372 -6.799 757 HB2 LYS 93 HB3 LYS 93 -13.735 0.530 -8.753 758 HB3 LYS 93 HB2 LYS 93 -12.191 0.537 -7.907 759 HG2 LYS 93 HG3 LYS 93 -12.923 -1.292 -6.462 760 HG3 LYS 93 HG2 LYS 93 -14.536 -1.253 -7.178 761 HD2 LYS 93 HD3 LYS 93 -11.968 -1.940 -8.665 762 HD3 LYS 93 HD2 LYS 93 -13.140 -3.117 -8.065 763 HE2 LYS 93 HE3 LYS 93 -13.628 -1.010 -10.205 764 HE3 LYS 93 HE2 LYS 93 -13.490 -2.751 -10.454 765 HZ1 LYS 93 HZ1 LYS 93 -15.785 -2.115 -10.458 766 HZ2 LYS 93 HZ2 LYS 93 -15.643 -1.348 -8.961 767 HZ3 LYS 93 HZ3 LYS 93 -15.490 -3.030 -9.067 768 H VAL 94 H VAL 94 -11.454 1.703 -5.850 769 HA VAL 94 HA VAL 94 -11.614 -0.012 -3.569 770 HB VAL 94 HB VAL 94 -9.476 2.042 -4.284 771 HG11 VAL 94 HG11 VAL 94 -9.307 -0.328 -2.381 772 HG12 VAL 94 HG12 VAL 94 -9.282 1.375 -1.922 773 HG13 VAL 94 HG13 VAL 94 -7.950 0.696 -2.859 774 HG21 VAL 94 HG21 VAL 94 -9.827 0.383 -6.086 775 HG22 VAL 94 HG22 VAL 94 -9.577 -0.930 -4.934 776 HG23 VAL 94 HG23 VAL 94 -8.254 0.173 -5.319 777 H THR 95 H THR 95 -11.926 3.480 -3.971 778 HA THR 95 HA THR 95 -11.992 4.047 -1.115 779 HB THR 95 HB THR 95 -12.416 6.405 -1.749 780 HG1 THR 95 HG1 THR 95 -12.084 5.863 -4.482 781 HG21 THR 95 HG21 THR 95 -10.175 5.161 -3.390 782 HG22 THR 95 HG22 THR 95 -10.076 5.593 -1.681 783 HG23 THR 95 HG23 THR 95 -10.288 6.853 -2.897 784 H GLY 96 H GLY 96 -14.291 3.162 -3.525 785 HA2 GLY 96 HA3 GLY 96 -16.496 2.501 -3.156 786 HA3 GLY 96 HA2 GLY 96 -16.483 3.293 -1.591 787 H LYS 97 H LYS 97 -15.416 5.178 -4.276 788 HA LYS 97 HA LYS 97 -17.849 6.830 -4.330 789 HB2 LYS 97 HB3 LYS 97 -15.156 7.152 -5.728 790 HB3 LYS 97 HB2 LYS 97 -16.463 8.336 -5.760 791 HG2 LYS 97 HG3 LYS 97 -16.246 8.660 -3.327 792 HG3 LYS 97 HG2 LYS 97 -14.966 7.440 -3.274 793 HD2 LYS 97 HD3 LYS 97 -13.542 8.850 -4.712 794 HD3 LYS 97 HD2 LYS 97 -14.829 10.053 -4.831 795 HE2 LYS 97 HE3 LYS 97 -13.144 10.773 -3.222 796 HE3 LYS 97 HE2 LYS 97 -14.664 10.449 -2.389 797 HZ1 LYS 97 HZ1 LYS 97 -12.297 8.658 -2.493 798 HZ2 LYS 97 HZ2 LYS 97 -13.767 8.279 -1.749 799 HZ3 LYS 97 HZ3 LYS 97 -12.827 9.551 -1.160 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 6.838 2.904 23.149 2 H2 MET 1 HT2 MET 1 6.201 1.653 22.207 3 H3 MET 1 HT3 MET 1 5.984 1.640 23.882 4 HA MET 1 HA MET 1 3.959 2.299 22.755 5 HB2 MET 1 HB2 MET 1 5.321 4.552 24.294 6 HB3 MET 1 HB1 MET 1 3.587 4.429 24.028 7 HG2 MET 1 HG2 MET 1 3.430 2.489 25.426 8 HG3 MET 1 HG1 MET 1 5.185 2.331 25.512 9 HE1 MET 1 HE1 MET 1 6.217 5.276 26.001 10 HE2 MET 1 HE2 MET 1 6.766 3.909 26.973 11 HE3 MET 1 HE3 MET 1 6.197 5.380 27.761 12 H SER 2 H SER 2 5.981 5.267 22.571 13 HA SER 2 HA SER 2 4.920 5.899 19.902 14 HB2 SER 2 HB3 SER 2 4.924 7.651 21.686 15 HB3 SER 2 HB2 SER 2 6.681 7.561 21.766 16 HG SER 2 HG SER 2 6.157 7.974 19.245 17 H ASP 3 H ASP 3 6.387 3.753 19.526 18 HA ASP 3 HA ASP 3 8.946 4.661 18.320 19 HB2 ASP 3 HB3 ASP 3 9.270 3.199 20.375 20 HB3 ASP 3 HB2 ASP 3 8.430 1.903 19.530 21 H TYR 4 H TYR 4 7.068 1.601 18.211 22 HA TYR 4 HA TYR 4 7.185 1.491 15.317 23 HB2 TYR 4 HB2 TYR 4 5.662 -0.309 17.252 24 HB3 TYR 4 HB1 TYR 4 5.952 -0.634 15.548 25 HD1 TYR 4 HD1 TYR 4 8.328 -1.113 14.767 26 HD2 TYR 4 HD2 TYR 4 7.295 -0.882 18.910 27 HE1 TYR 4 HE1 TYR 4 10.371 -2.340 15.351 28 HE2 TYR 4 HE2 TYR 4 9.341 -2.106 19.489 29 HH TYR 4 HH TYR 4 10.897 -3.701 18.391 30 H GLU 5 H GLU 5 6.013 3.360 14.691 31 HA GLU 5 HA GLU 5 3.071 3.211 14.996 32 HB2 GLU 5 HB3 GLU 5 3.034 5.733 15.173 33 HB3 GLU 5 HB2 GLU 5 3.684 4.890 16.571 34 HG2 GLU 5 HG3 GLU 5 5.966 5.460 15.919 35 HG3 GLU 5 HG2 GLU 5 5.387 6.209 14.431 36 H ASN 6 H ASN 6 2.386 2.747 13.064 37 HA ASN 6 HA ASN 6 2.722 4.690 10.905 38 HB2 ASN 6 HB3 ASN 6 2.924 2.967 9.160 39 HB3 ASN 6 HB2 ASN 6 4.241 2.761 10.309 40 HD21 ASN 6 HD21 ASN 6 2.920 0.860 8.427 41 HD22 ASN 6 HD22 ASN 6 2.437 -0.482 9.404 42 H ASP 7 H ASP 7 0.858 4.659 9.440 43 HA ASP 7 HA ASP 7 -1.646 3.917 10.707 44 HB2 ASP 7 HB3 ASP 7 -1.240 6.077 9.430 45 HB3 ASP 7 HB2 ASP 7 -1.169 5.126 7.959 46 H ASP 8 H ASP 8 -1.084 1.620 10.759 47 HA ASP 8 HA ASP 8 -1.343 -0.042 8.463 48 HB2 ASP 8 HB3 ASP 8 -0.910 -0.390 11.296 49 HB3 ASP 8 HB2 ASP 8 -2.319 -1.355 10.901 50 H GLU 9 H GLU 9 -3.521 1.722 10.415 51 HA GLU 9 HA GLU 9 -6.019 0.710 10.387 52 HB2 GLU 9 HB3 GLU 9 -5.567 2.883 11.329 53 HB3 GLU 9 HB2 GLU 9 -4.993 3.514 9.791 54 HG2 GLU 9 HG3 GLU 9 -7.494 3.133 9.017 55 HG3 GLU 9 HG2 GLU 9 -7.831 3.107 10.744 56 H CYS 10 H CYS 10 -4.772 2.693 7.649 57 HA CYS 10 HA CYS 10 -7.169 2.416 6.106 58 HB2 CYS 10 HB3 CYS 10 -4.439 3.514 5.359 59 HB3 CYS 10 HB2 CYS 10 -5.878 3.632 4.343 60 H TRP 11 H TRP 11 -4.013 0.839 6.035 61 HA TRP 11 HA TRP 11 -4.391 -0.478 3.501 62 HB2 TRP 11 HB2 TRP 11 -2.297 -0.847 5.683 63 HB3 TRP 11 HB1 TRP 11 -2.230 -1.616 4.095 64 HD1 TRP 11 HD1 TRP 11 -1.499 1.709 5.807 65 HE1 TRP 11 HE1 TRP 11 -0.530 3.356 4.084 66 HE3 TRP 11 HE3 TRP 11 -2.385 -0.963 1.532 67 HZ2 TRP 11 HZ2 TRP 11 -0.210 3.505 1.293 68 HZ3 TRP 11 HZ3 TRP 11 -1.724 0.012 -0.628 69 HH2 TRP 11 HH2 TRP 11 -0.658 2.205 -0.742 70 H SER 12 H SER 12 -5.099 -1.307 6.824 71 HA SER 12 HA SER 12 -5.666 -4.093 6.407 72 HB2 SER 12 HB3 SER 12 -6.722 -2.178 8.534 73 HB3 SER 12 HB2 SER 12 -6.920 -3.933 8.567 74 HG SER 12 HG SER 12 -4.757 -2.401 9.223 75 H VAL 13 H VAL 13 -7.555 -1.102 6.145 76 HA VAL 13 HA VAL 13 -10.065 -2.316 5.442 77 HB VAL 13 HB VAL 13 -9.063 0.506 4.825 78 HG11 VAL 13 HG11 VAL 13 -11.470 1.127 4.655 79 HG12 VAL 13 HG12 VAL 13 -11.918 -0.568 4.854 80 HG13 VAL 13 HG13 VAL 13 -11.010 -0.058 3.429 81 HG21 VAL 13 HG21 VAL 13 -10.259 1.218 6.869 82 HG22 VAL 13 HG22 VAL 13 -8.998 0.047 7.251 83 HG23 VAL 13 HG23 VAL 13 -10.688 -0.461 7.215 84 H LEU 14 H LEU 14 -7.251 -1.158 3.596 85 HA LEU 14 HA LEU 14 -8.372 -1.636 0.985 86 HB2 LEU 14 HB3 LEU 14 -5.469 -1.258 1.813 87 HB3 LEU 14 HB2 LEU 14 -6.042 -1.304 0.150 88 HG LEU 14 HG LEU 14 -6.626 0.837 2.227 89 HD11 LEU 14 HD11 LEU 14 -5.100 0.972 -0.387 90 HD12 LEU 14 HD12 LEU 14 -4.413 1.000 1.239 91 HD13 LEU 14 HD13 LEU 14 -5.432 2.326 0.696 92 HD21 LEU 14 HD21 LEU 14 -7.900 2.029 0.470 93 HD22 LEU 14 HD22 LEU 14 -8.665 0.519 0.949 94 HD23 LEU 14 HD23 LEU 14 -7.777 0.608 -0.574 95 H GLU 15 H GLU 15 -7.066 -3.749 3.359 96 HA GLU 15 HA GLU 15 -5.861 -5.725 1.763 97 HB2 GLU 15 HB3 GLU 15 -5.637 -5.670 4.218 98 HB3 GLU 15 HB2 GLU 15 -7.330 -6.124 4.396 99 HG2 GLU 15 HG3 GLU 15 -6.891 -8.293 3.334 100 HG3 GLU 15 HG2 GLU 15 -5.218 -7.827 3.031 101 H GLY 16 H GLY 16 -9.292 -5.293 2.636 102 HA2 GLY 16 HA3 GLY 16 -10.411 -7.523 1.358 103 HA3 GLY 16 HA2 GLY 16 -11.207 -5.973 1.567 104 H PHE 17 H PHE 17 -9.037 -4.625 -0.031 105 HA PHE 17 HA PHE 17 -9.984 -5.310 -2.758 106 HB2 PHE 17 HB2 PHE 17 -8.613 -2.749 -1.796 107 HB3 PHE 17 HB1 PHE 17 -9.367 -3.011 -3.366 108 HD1 PHE 17 HD1 PHE 17 -11.898 -3.310 -3.485 109 HD2 PHE 17 HD2 PHE 17 -9.909 -1.992 0.068 110 HE1 PHE 17 HE1 PHE 17 -14.026 -2.458 -2.598 111 HE2 PHE 17 HE2 PHE 17 -12.043 -1.143 0.947 112 HZ PHE 17 HZ PHE 17 -14.103 -1.377 -0.386 113 H ARG 18 H ARG 18 -7.429 -6.129 -0.848 114 HA ARG 18 HA ARG 18 -5.085 -5.100 -2.017 115 HB2 ARG 18 HB3 ARG 18 -5.418 -6.237 0.224 116 HB3 ARG 18 HB2 ARG 18 -5.372 -7.775 -0.609 117 HG2 ARG 18 HG3 ARG 18 -3.036 -7.372 -1.255 118 HG3 ARG 18 HG2 ARG 18 -3.093 -5.772 -0.502 119 HD2 ARG 18 HD3 ARG 18 -3.680 -6.927 1.684 120 HD3 ARG 18 HD2 ARG 18 -3.348 -8.462 0.879 121 HE ARG 18 HE ARG 18 -1.067 -6.969 0.537 122 HH11 ARG 18 HH11 ARG 18 -2.878 -8.031 3.310 123 HH12 ARG 18 HH12 ARG 18 -1.476 -8.097 4.312 124 HH21 ARG 18 HH21 ARG 18 0.698 -7.064 1.880 125 HH22 ARG 18 HH22 ARG 18 0.498 -7.575 3.520 126 H VAL 19 H VAL 19 -6.633 -8.276 -2.556 127 HA VAL 19 HA VAL 19 -4.959 -9.264 -4.590 128 HB VAL 19 HB VAL 19 -6.509 -10.687 -3.321 129 HG11 VAL 19 HG11 VAL 19 -8.946 -10.714 -3.739 130 HG12 VAL 19 HG12 VAL 19 -8.782 -9.326 -4.815 131 HG13 VAL 19 HG13 VAL 19 -8.421 -9.153 -3.096 132 HG21 VAL 19 HG21 VAL 19 -7.130 -10.788 -6.296 133 HG22 VAL 19 HG22 VAL 19 -7.354 -12.112 -5.150 134 HG23 VAL 19 HG23 VAL 19 -5.731 -11.517 -5.507 135 H THR 20 H THR 20 -7.780 -7.122 -4.799 136 HA THR 20 HA THR 20 -8.050 -7.035 -7.643 137 HB THR 20 HB THR 20 -8.901 -4.948 -5.579 138 HG1 THR 20 HG1 THR 20 -10.660 -6.149 -5.277 139 HG21 THR 20 HG21 THR 20 -8.921 -4.023 -7.882 140 HG22 THR 20 HG22 THR 20 -10.562 -4.223 -7.262 141 HG23 THR 20 HG23 THR 20 -9.912 -5.383 -8.420 142 H LEU 21 H LEU 21 -6.323 -4.975 -5.297 143 HA LEU 21 HA LEU 21 -5.431 -2.953 -7.085 144 HB2 LEU 21 HB3 LEU 21 -4.303 -3.812 -4.388 145 HB3 LEU 21 HB2 LEU 21 -3.906 -2.309 -5.212 146 HG LEU 21 HG LEU 21 -6.698 -3.050 -4.251 147 HD11 LEU 21 HD11 LEU 21 -5.252 -2.783 -2.318 148 HD12 LEU 21 HD12 LEU 21 -6.377 -1.433 -2.431 149 HD13 LEU 21 HD13 LEU 21 -4.692 -1.217 -2.912 150 HD21 LEU 21 HD21 LEU 21 -5.639 -0.409 -5.318 151 HD22 LEU 21 HD22 LEU 21 -7.260 -0.691 -4.681 152 HD23 LEU 21 HD23 LEU 21 -6.744 -1.508 -6.153 153 H THR 22 H THR 22 -3.951 -5.941 -5.879 154 HA THR 22 HA THR 22 -1.380 -5.562 -7.065 155 HB THR 22 HB THR 22 -0.967 -7.958 -6.505 156 HG1 THR 22 HG1 THR 22 -3.479 -8.144 -5.261 157 HG21 THR 22 HG21 THR 22 -2.313 -6.385 -4.276 158 HG22 THR 22 HG22 THR 22 -0.619 -6.267 -4.754 159 HG23 THR 22 HG23 THR 22 -1.233 -7.765 -4.056 160 H SER 23 H SER 23 -4.369 -6.757 -8.356 161 HA SER 23 HA SER 23 -3.108 -8.049 -10.674 162 HB2 SER 23 HB3 SER 23 -5.438 -8.614 -11.348 163 HB3 SER 23 HB2 SER 23 -5.085 -9.134 -9.702 164 HG SER 23 HG SER 23 -6.436 -7.683 -8.921 165 H VAL 24 H VAL 24 -5.064 -5.150 -9.936 166 HA VAL 24 HA VAL 24 -5.338 -4.361 -12.724 167 HB VAL 24 HB VAL 24 -6.189 -2.880 -10.193 168 HG11 VAL 24 HG11 VAL 24 -5.934 -1.299 -12.075 169 HG12 VAL 24 HG12 VAL 24 -7.641 -1.521 -11.695 170 HG13 VAL 24 HG13 VAL 24 -6.939 -2.328 -13.100 171 HG21 VAL 24 HG21 VAL 24 -7.340 -5.057 -10.468 172 HG22 VAL 24 HG22 VAL 24 -7.838 -4.596 -12.098 173 HG23 VAL 24 HG23 VAL 24 -8.462 -3.712 -10.702 174 H ILE 25 H ILE 25 -3.543 -3.132 -9.876 175 HA ILE 25 HA ILE 25 -2.447 -0.858 -11.309 176 HB ILE 25 HB ILE 25 -1.722 -1.942 -8.553 177 HG12 ILE 25 HG12 ILE 25 -3.507 0.417 -9.289 178 HG13 ILE 25 HG11 ILE 25 -4.105 -1.168 -8.809 179 HG21 ILE 25 HG21 ILE 25 -0.664 0.264 -8.125 180 HG22 ILE 25 HG22 ILE 25 -0.988 0.747 -9.789 181 HG23 ILE 25 HG23 ILE 25 0.133 -0.575 -9.460 182 HD11 ILE 25 HD11 ILE 25 -2.488 0.714 -7.098 183 HD12 ILE 25 HD12 ILE 25 -3.063 -0.885 -6.613 184 HD13 ILE 25 HD13 ILE 25 -4.217 0.394 -6.982 185 H ASP 26 H ASP 26 -0.656 -0.841 -12.492 186 HA ASP 26 HA ASP 26 1.380 -2.937 -12.294 187 HB2 ASP 26 HB3 ASP 26 0.698 -2.378 -14.563 188 HB3 ASP 26 HB2 ASP 26 0.981 -0.662 -14.280 189 HA PRO 27 HA PRO 27 3.368 -0.157 -9.384 190 HB2 PRO 27 HB3 PRO 27 5.507 -1.694 -8.702 191 HB3 PRO 27 HB2 PRO 27 3.857 -2.105 -8.212 192 HG2 PRO 27 HG3 PRO 27 5.491 -3.221 -10.491 193 HG3 PRO 27 HG2 PRO 27 4.470 -4.085 -9.321 194 HD2 PRO 27 HD3 PRO 27 3.642 -3.435 -11.866 195 HD3 PRO 27 HD2 PRO 27 2.526 -3.624 -10.497 196 H SER 28 H SER 28 5.154 -1.438 -12.184 197 HA SER 28 HA SER 28 7.516 0.128 -11.923 198 HB2 SER 28 HB3 SER 28 8.038 -0.546 -14.217 199 HB3 SER 28 HB2 SER 28 7.398 -1.923 -13.328 200 HG SER 28 HG SER 28 5.437 -1.665 -14.397 201 H ARG 29 H ARG 29 4.466 0.671 -13.618 202 HA ARG 29 HA ARG 29 5.067 2.973 -15.077 203 HB2 ARG 29 HB3 ARG 29 2.960 1.651 -15.293 204 HB3 ARG 29 HB2 ARG 29 2.421 2.270 -13.740 205 HG2 ARG 29 HG3 ARG 29 1.260 3.569 -15.338 206 HG3 ARG 29 HG2 ARG 29 2.563 4.620 -14.788 207 HD2 ARG 29 HD3 ARG 29 2.531 3.015 -17.372 208 HD3 ARG 29 HD2 ARG 29 2.255 4.747 -17.227 209 HE ARG 29 HE ARG 29 4.618 4.884 -16.401 210 HH11 ARG 29 HH11 ARG 29 3.709 2.247 -18.475 211 HH12 ARG 29 HH12 ARG 29 5.313 2.062 -19.092 212 HH21 ARG 29 HH21 ARG 29 6.655 4.594 -17.226 213 HH22 ARG 29 HH22 ARG 29 6.943 3.358 -18.402 214 H ILE 30 H ILE 30 4.152 2.641 -11.657 215 HA ILE 30 HA ILE 30 4.063 5.575 -11.345 216 HB ILE 30 HB ILE 30 2.716 5.295 -9.372 217 HG12 ILE 30 HG12 ILE 30 2.949 2.254 -9.610 218 HG13 ILE 30 HG11 ILE 30 3.904 3.213 -8.485 219 HG21 ILE 30 HG21 ILE 30 1.500 5.147 -11.507 220 HG22 ILE 30 HG22 ILE 30 0.712 4.157 -10.279 221 HG23 ILE 30 HG23 ILE 30 1.704 3.393 -11.524 222 HD11 ILE 30 HD11 ILE 30 0.919 2.865 -8.500 223 HD12 ILE 30 HD12 ILE 30 1.773 4.035 -7.479 224 HD13 ILE 30 HD13 ILE 30 2.076 2.297 -7.294 225 H THR 31 H THR 31 6.438 3.279 -10.949 226 HA THR 31 HA THR 31 7.380 3.659 -8.328 227 HB THR 31 HB THR 31 9.753 3.113 -9.285 228 HG1 THR 31 HG1 THR 31 8.336 2.210 -11.551 229 HG21 THR 31 HG21 THR 31 9.246 0.724 -9.481 230 HG22 THR 31 HG22 THR 31 7.532 1.082 -9.679 231 HG23 THR 31 HG23 THR 31 8.333 1.435 -8.147 232 HA PRO 32 HA PRO 32 10.118 7.524 -9.800 233 HB2 PRO 32 HB3 PRO 32 9.063 9.000 -11.900 234 HB3 PRO 32 HB2 PRO 32 10.320 7.774 -12.103 235 HG2 PRO 32 HG3 PRO 32 7.336 7.500 -12.497 236 HG3 PRO 32 HG2 PRO 32 8.655 6.950 -13.557 237 HD2 PRO 32 HD3 PRO 32 7.421 5.220 -11.916 238 HD3 PRO 32 HD2 PRO 32 9.178 5.119 -12.168 239 H TYR 33 H TYR 33 6.622 7.399 -10.169 240 HA TYR 33 HA TYR 33 5.987 9.993 -9.193 241 HB2 TYR 33 HB2 TYR 33 4.468 8.565 -10.631 242 HB3 TYR 33 HB1 TYR 33 4.190 7.524 -9.237 243 HD1 TYR 33 HD1 TYR 33 2.282 7.991 -7.882 244 HD2 TYR 33 HD2 TYR 33 4.059 11.135 -10.199 245 HE1 TYR 33 HE1 TYR 33 0.536 9.570 -7.136 246 HE2 TYR 33 HE2 TYR 33 2.320 12.683 -9.460 247 HH TYR 33 HH TYR 33 0.368 12.166 -6.885 248 H LEU 34 H LEU 34 6.199 6.784 -7.656 249 HA LEU 34 HA LEU 34 5.397 7.641 -5.035 250 HB2 LEU 34 HB3 LEU 34 6.909 5.154 -5.908 251 HB3 LEU 34 HB2 LEU 34 6.251 5.414 -4.297 252 HG LEU 34 HG LEU 34 4.611 5.173 -6.855 253 HD11 LEU 34 HD11 LEU 34 3.864 3.022 -5.956 254 HD12 LEU 34 HD12 LEU 34 4.947 3.204 -4.573 255 HD13 LEU 34 HD13 LEU 34 5.610 3.046 -6.203 256 HD21 LEU 34 HD21 LEU 34 3.647 5.447 -3.980 257 HD22 LEU 34 HD22 LEU 34 2.629 5.164 -5.396 258 HD23 LEU 34 HD23 LEU 34 3.516 6.676 -5.242 259 H ARG 35 H ARG 35 8.530 7.314 -6.694 260 HA ARG 35 HA ARG 35 10.244 7.909 -4.524 261 HB2 ARG 35 HB3 ARG 35 10.586 8.635 -7.465 262 HB3 ARG 35 HB2 ARG 35 11.859 8.759 -6.255 263 HG2 ARG 35 HG3 ARG 35 10.472 6.173 -7.016 264 HG3 ARG 35 HG2 ARG 35 12.005 6.723 -7.694 265 HD2 ARG 35 HD3 ARG 35 11.508 6.165 -4.747 266 HD3 ARG 35 HD2 ARG 35 12.275 5.041 -5.871 267 HE ARG 35 HE ARG 35 13.413 7.520 -4.791 268 HH11 ARG 35 HH11 ARG 35 13.860 4.863 -6.958 269 HH12 ARG 35 HH12 ARG 35 15.576 5.030 -6.963 270 HH21 ARG 35 HH21 ARG 35 15.628 7.680 -4.805 271 HH22 ARG 35 HH22 ARG 35 16.557 6.582 -5.763 272 H GLN 36 H GLN 36 8.757 10.199 -6.921 273 HA GLN 36 HA GLN 36 9.691 12.559 -5.582 274 HB2 GLN 36 HB3 GLN 36 8.409 13.854 -7.134 275 HB3 GLN 36 HB2 GLN 36 9.041 12.475 -8.025 276 HG2 GLN 36 HG3 GLN 36 6.854 11.375 -7.940 277 HG3 GLN 36 HG2 GLN 36 6.206 12.683 -6.952 278 HE21 GLN 36 HE21 GLN 36 4.610 13.218 -8.415 279 HE22 GLN 36 HE22 GLN 36 4.934 13.943 -9.947 280 H CYS 37 H CYS 37 6.926 10.513 -5.028 281 HA CYS 37 HA CYS 37 5.529 12.391 -3.294 282 HB2 CYS 37 HB3 CYS 37 5.109 9.439 -3.856 283 HB3 CYS 37 HB2 CYS 37 4.143 10.322 -2.678 284 HG CYS 37 HG CYS 37 2.463 11.344 -4.326 285 H LYS 38 H LYS 38 8.384 10.776 -2.886 286 HA LYS 38 HA LYS 38 9.736 10.207 -1.171 287 HB2 LYS 38 HB3 LYS 38 7.938 12.054 0.453 288 HB3 LYS 38 HB2 LYS 38 9.478 11.428 1.014 289 HG2 LYS 38 HG3 LYS 38 10.069 13.560 0.338 290 HG3 LYS 38 HG2 LYS 38 10.463 12.629 -1.109 291 HD2 LYS 38 HD3 LYS 38 8.447 13.369 -2.220 292 HD3 LYS 38 HD2 LYS 38 7.807 14.066 -0.732 293 HE2 LYS 38 HE3 LYS 38 8.598 15.856 -2.152 294 HE3 LYS 38 HE2 LYS 38 9.669 15.731 -0.760 295 HZ1 LYS 38 HZ1 LYS 38 10.219 14.632 -3.462 296 HZ2 LYS 38 HZ2 LYS 38 11.258 14.553 -2.131 297 HZ3 LYS 38 HZ3 LYS 38 10.881 16.050 -2.821 298 H VAL 39 H VAL 39 7.836 8.237 -1.676 299 HA VAL 39 HA VAL 39 7.370 7.022 0.994 300 HB VAL 39 HB VAL 39 5.210 6.045 0.157 301 HG11 VAL 39 HG11 VAL 39 5.160 8.048 1.586 302 HG12 VAL 39 HG12 VAL 39 3.849 8.101 0.407 303 HG13 VAL 39 HG13 VAL 39 5.291 9.093 0.167 304 HG21 VAL 39 HG21 VAL 39 5.654 6.175 -2.276 305 HG22 VAL 39 HG22 VAL 39 5.565 7.937 -2.209 306 HG23 VAL 39 HG23 VAL 39 4.132 6.967 -1.864 307 H LEU 40 H LEU 40 9.127 6.626 -1.715 308 HA LEU 40 HA LEU 40 9.107 3.653 -1.567 309 HB2 LEU 40 HB3 LEU 40 7.994 4.498 -3.661 310 HB3 LEU 40 HB2 LEU 40 9.491 5.300 -4.096 311 HG LEU 40 HG LEU 40 10.595 2.974 -4.101 312 HD11 LEU 40 HD11 LEU 40 9.145 1.025 -4.397 313 HD12 LEU 40 HD12 LEU 40 7.720 2.014 -4.078 314 HD13 LEU 40 HD13 LEU 40 8.918 1.753 -2.809 315 HD21 LEU 40 HD21 LEU 40 8.425 3.488 -6.152 316 HD22 LEU 40 HD22 LEU 40 9.815 2.414 -6.347 317 HD23 LEU 40 HD23 LEU 40 10.062 4.151 -6.176 318 H ASN 41 H ASN 41 11.060 2.900 -0.918 319 HA ASN 41 HA ASN 41 13.455 4.548 -0.974 320 HB2 ASN 41 HB3 ASN 41 13.033 1.661 -0.064 321 HB3 ASN 41 HB2 ASN 41 14.537 2.562 0.135 322 HD21 ASN 41 HD21 ASN 41 11.206 2.284 1.181 323 HD22 ASN 41 HD22 ASN 41 11.375 3.256 2.606 324 HA PRO 42 HA PRO 42 15.276 3.157 -4.854 325 HB2 PRO 42 HB3 PRO 42 17.953 2.786 -4.168 326 HB3 PRO 42 HB2 PRO 42 17.215 4.364 -4.467 327 HG2 PRO 42 HG3 PRO 42 17.703 2.966 -1.833 328 HG3 PRO 42 HG2 PRO 42 18.017 4.661 -2.274 329 HD2 PRO 42 HD3 PRO 42 15.835 4.010 -0.859 330 HD3 PRO 42 HD2 PRO 42 15.737 5.253 -2.128 331 H ASP 43 H ASP 43 16.111 1.240 -1.993 332 HA ASP 43 HA ASP 43 16.789 -1.223 -3.183 333 HB2 ASP 43 HB3 ASP 43 15.499 -0.632 -0.476 334 HB3 ASP 43 HB2 ASP 43 16.217 -2.180 -0.929 335 H ASP 44 H ASP 44 13.671 0.102 -2.142 336 HA ASP 44 HA ASP 44 12.035 -2.168 -2.658 337 HB2 ASP 44 HB3 ASP 44 11.381 0.797 -2.435 338 HB3 ASP 44 HB2 ASP 44 10.156 -0.463 -2.523 339 H GLU 45 H GLU 45 12.737 0.762 -4.531 340 HA GLU 45 HA GLU 45 11.108 0.322 -6.755 341 HB2 GLU 45 HB3 GLU 45 12.251 2.476 -6.290 342 HB3 GLU 45 HB2 GLU 45 13.808 1.738 -6.663 343 HG2 GLU 45 HG3 GLU 45 13.022 1.324 -8.993 344 HG3 GLU 45 HG2 GLU 45 11.502 2.125 -8.601 345 H GLU 46 H GLU 46 14.577 -0.509 -6.327 346 HA GLU 46 HA GLU 46 14.898 -1.799 -8.839 347 HB2 GLU 46 HB3 GLU 46 16.746 -0.804 -7.451 348 HB3 GLU 46 HB2 GLU 46 16.579 -2.147 -6.324 349 HG2 GLU 46 HG3 GLU 46 17.235 -3.733 -8.077 350 HG3 GLU 46 HG2 GLU 46 17.322 -2.423 -9.253 351 H GLN 47 H GLN 47 13.952 -2.983 -5.641 352 HA GLN 47 HA GLN 47 13.969 -5.766 -6.035 353 HB2 GLN 47 HB3 GLN 47 13.485 -4.654 -3.842 354 HB3 GLN 47 HB2 GLN 47 11.932 -4.119 -4.469 355 HG2 GLN 47 HG3 GLN 47 11.357 -6.589 -4.783 356 HG3 GLN 47 HG2 GLN 47 12.804 -6.955 -3.846 357 HE21 GLN 47 HE21 GLN 47 11.618 -7.910 -2.151 358 HE22 GLN 47 HE22 GLN 47 10.615 -6.992 -1.089 359 H VAL 48 H VAL 48 11.290 -3.441 -6.550 360 HA VAL 48 HA VAL 48 9.498 -5.171 -7.898 361 HB VAL 48 HB VAL 48 9.770 -2.132 -7.957 362 HG11 VAL 48 HG11 VAL 48 7.449 -2.059 -8.871 363 HG12 VAL 48 HG12 VAL 48 7.491 -3.811 -9.076 364 HG13 VAL 48 HG13 VAL 48 8.591 -2.790 -10.003 365 HG21 VAL 48 HG21 VAL 48 9.208 -3.065 -5.739 366 HG22 VAL 48 HG22 VAL 48 7.842 -3.941 -6.436 367 HG23 VAL 48 HG23 VAL 48 7.831 -2.176 -6.401 368 H LEU 49 H LEU 49 12.144 -3.152 -9.158 369 HA LEU 49 HA LEU 49 11.355 -3.657 -11.944 370 HB2 LEU 49 HB3 LEU 49 13.512 -1.816 -10.837 371 HB3 LEU 49 HB2 LEU 49 13.044 -1.937 -12.528 372 HG LEU 49 HG LEU 49 11.361 -0.845 -10.240 373 HD11 LEU 49 HD11 LEU 49 11.416 1.260 -11.499 374 HD12 LEU 49 HD12 LEU 49 12.466 0.519 -12.712 375 HD13 LEU 49 HD13 LEU 49 13.033 0.719 -11.052 376 HD21 LEU 49 HD21 LEU 49 9.880 -2.123 -11.681 377 HD22 LEU 49 HD22 LEU 49 10.503 -1.304 -13.117 378 HD23 LEU 49 HD23 LEU 49 9.590 -0.399 -11.906 379 H SER 50 H SER 50 12.735 -5.691 -10.115 380 HA SER 50 HA SER 50 15.152 -6.366 -11.600 381 HB2 SER 50 HB3 SER 50 15.186 -8.382 -10.130 382 HB3 SER 50 HB2 SER 50 14.998 -6.901 -9.193 383 HG SER 50 HG SER 50 13.346 -7.905 -8.379 384 H ASP 51 H ASP 51 12.093 -6.447 -12.659 385 HA ASP 51 HA ASP 51 12.412 -8.936 -14.247 386 HB2 ASP 51 HB3 ASP 51 10.673 -9.053 -12.331 387 HB3 ASP 51 HB2 ASP 51 9.718 -7.912 -13.265 388 HA PRO 52 HA PRO 52 12.126 -5.687 -17.474 389 HB2 PRO 52 HB3 PRO 52 12.196 -7.419 -19.653 390 HB3 PRO 52 HB2 PRO 52 13.630 -6.877 -18.770 391 HG2 PRO 52 HG3 PRO 52 12.053 -9.435 -18.435 392 HG3 PRO 52 HG2 PRO 52 13.815 -9.218 -18.530 393 HD2 PRO 52 HD3 PRO 52 12.615 -9.557 -16.161 394 HD3 PRO 52 HD2 PRO 52 13.957 -8.396 -16.323 395 H ASN 53 H ASN 53 9.951 -8.498 -17.312 396 HA ASN 53 HA ASN 53 7.934 -7.112 -19.011 397 HB2 ASN 53 HB3 ASN 53 8.253 -10.085 -18.399 398 HB3 ASN 53 HB2 ASN 53 6.971 -9.392 -19.392 399 HD21 ASN 53 HD21 ASN 53 7.512 -8.526 -21.436 400 HD22 ASN 53 HD22 ASN 53 8.984 -8.947 -22.228 401 H LEU 54 H LEU 54 8.653 -7.830 -15.833 402 HA LEU 54 HA LEU 54 7.604 -8.070 -13.880 403 HB2 LEU 54 HB3 LEU 54 5.542 -6.338 -15.271 404 HB3 LEU 54 HB2 LEU 54 5.393 -6.813 -13.586 405 HG LEU 54 HG LEU 54 7.771 -5.770 -13.298 406 HD11 LEU 54 HD11 LEU 54 8.337 -3.921 -14.800 407 HD12 LEU 54 HD12 LEU 54 6.996 -4.362 -15.861 408 HD13 LEU 54 HD13 LEU 54 8.349 -5.474 -15.639 409 HD21 LEU 54 HD21 LEU 54 6.818 -3.583 -12.794 410 HD22 LEU 54 HD22 LEU 54 5.734 -4.872 -12.279 411 HD23 LEU 54 HD23 LEU 54 5.383 -3.962 -13.752 412 H VAL 55 H VAL 55 7.579 -10.330 -14.994 413 HA VAL 55 HA VAL 55 5.063 -11.656 -15.296 414 HB VAL 55 HB VAL 55 7.750 -12.897 -14.529 415 HG11 VAL 55 HG11 VAL 55 5.856 -14.450 -14.257 416 HG12 VAL 55 HG12 VAL 55 6.872 -14.952 -15.608 417 HG13 VAL 55 HG13 VAL 55 5.337 -14.138 -15.915 418 HG21 VAL 55 HG21 VAL 55 8.053 -11.512 -16.543 419 HG22 VAL 55 HG22 VAL 55 6.694 -12.321 -17.329 420 HG23 VAL 55 HG23 VAL 55 8.162 -13.227 -16.955 421 H ILE 56 H ILE 56 7.168 -10.913 -12.568 422 HA ILE 56 HA ILE 56 5.475 -12.344 -10.614 423 HB ILE 56 HB ILE 56 7.995 -10.741 -9.962 424 HG12 ILE 56 HG12 ILE 56 7.949 -13.693 -10.772 425 HG13 ILE 56 HG11 ILE 56 8.513 -12.391 -11.814 426 HG21 ILE 56 HG21 ILE 56 8.185 -12.319 -8.054 427 HG22 ILE 56 HG22 ILE 56 6.723 -13.149 -8.588 428 HG23 ILE 56 HG23 ILE 56 6.632 -11.478 -8.033 429 HD11 ILE 56 HD11 ILE 56 10.365 -13.573 -10.801 430 HD12 ILE 56 HD12 ILE 56 9.752 -13.219 -9.187 431 HD13 ILE 56 HD13 ILE 56 10.317 -11.907 -10.226 432 H ARG 57 H ARG 57 4.749 -9.748 -12.120 433 HA ARG 57 HA ARG 57 4.737 -7.422 -10.632 434 HB2 ARG 57 HB3 ARG 57 3.983 -7.383 -12.901 435 HB3 ARG 57 HB2 ARG 57 2.709 -8.546 -12.585 436 HG2 ARG 57 HG3 ARG 57 1.493 -6.838 -11.248 437 HG3 ARG 57 HG2 ARG 57 2.768 -5.669 -11.609 438 HD2 ARG 57 HD3 ARG 57 2.216 -5.670 -13.950 439 HD3 ARG 57 HD2 ARG 57 1.162 -7.078 -13.762 440 HE ARG 57 HE ARG 57 0.285 -4.869 -12.172 441 HH11 ARG 57 HH11 ARG 57 0.252 -6.029 -15.437 442 HH12 ARG 57 HH12 ARG 57 -1.254 -5.264 -15.788 443 HH21 ARG 57 HH21 ARG 57 -1.626 -3.918 -12.675 444 HH22 ARG 57 HH22 ARG 57 -2.288 -4.081 -14.257 445 H LYS 58 H LYS 58 2.357 -10.062 -10.434 446 HA LYS 58 HA LYS 58 0.397 -8.917 -8.804 447 HB2 LYS 58 HB3 LYS 58 0.121 -11.055 -10.018 448 HB3 LYS 58 HB2 LYS 58 1.306 -11.823 -8.973 449 HG2 LYS 58 HG3 LYS 58 -0.884 -12.529 -8.280 450 HG3 LYS 58 HG2 LYS 58 -0.233 -11.471 -7.031 451 HD2 LYS 58 HD3 LYS 58 -2.563 -10.926 -7.358 452 HD3 LYS 58 HD2 LYS 58 -1.594 -9.591 -7.987 453 HE2 LYS 58 HE3 LYS 58 -3.451 -10.106 -9.496 454 HE3 LYS 58 HE2 LYS 58 -1.916 -10.457 -10.286 455 HZ1 LYS 58 HZ1 LYS 58 -3.537 -12.198 -10.674 456 HZ2 LYS 58 HZ2 LYS 58 -3.708 -12.452 -9.011 457 HZ3 LYS 58 HZ3 LYS 58 -2.241 -12.796 -9.769 458 H ARG 59 H ARG 59 3.181 -10.911 -7.828 459 HA ARG 59 HA ARG 59 2.867 -10.684 -5.014 460 HB2 ARG 59 HB3 ARG 59 4.080 -12.523 -6.093 461 HB3 ARG 59 HB2 ARG 59 5.272 -11.409 -6.734 462 HG2 ARG 59 HG3 ARG 59 4.958 -11.616 -3.742 463 HG3 ARG 59 HG2 ARG 59 5.770 -12.925 -4.597 464 HD2 ARG 59 HD3 ARG 59 7.346 -11.198 -5.573 465 HD3 ARG 59 HD2 ARG 59 6.601 -10.001 -4.506 466 HE ARG 59 HE ARG 59 7.503 -12.303 -3.083 467 HH11 ARG 59 HH11 ARG 59 8.599 -9.270 -4.346 468 HH12 ARG 59 HH12 ARG 59 10.022 -9.279 -3.376 469 HH21 ARG 59 HH21 ARG 59 9.303 -12.276 -1.873 470 HH22 ARG 59 HH22 ARG 59 10.409 -10.954 -1.987 471 H LYS 60 H LYS 60 4.730 -8.823 -7.405 472 HA LYS 60 HA LYS 60 6.257 -7.306 -5.528 473 HB2 LYS 60 HB3 LYS 60 5.761 -7.006 -8.504 474 HB3 LYS 60 HB2 LYS 60 6.756 -5.847 -7.615 475 HG2 LYS 60 HG3 LYS 60 8.270 -7.639 -6.912 476 HG3 LYS 60 HG2 LYS 60 7.267 -8.842 -7.726 477 HD2 LYS 60 HD3 LYS 60 7.864 -8.017 -9.891 478 HD3 LYS 60 HD2 LYS 60 8.572 -6.542 -9.222 479 HE2 LYS 60 HE3 LYS 60 10.357 -7.891 -8.168 480 HE3 LYS 60 HE2 LYS 60 9.669 -9.359 -8.869 481 HZ1 LYS 60 HZ1 LYS 60 11.580 -8.397 -10.079 482 HZ2 LYS 60 HZ2 LYS 60 10.618 -7.053 -10.460 483 HZ3 LYS 60 HZ3 LYS 60 10.188 -8.588 -11.013 484 H VAL 61 H VAL 61 3.101 -6.612 -7.043 485 HA VAL 61 HA VAL 61 2.899 -3.980 -5.865 486 HB VAL 61 HB VAL 61 0.517 -5.686 -6.699 487 HG11 VAL 61 HG11 VAL 61 -0.055 -3.682 -5.365 488 HG12 VAL 61 HG12 VAL 61 -0.625 -3.499 -7.024 489 HG13 VAL 61 HG13 VAL 61 0.835 -2.656 -6.495 490 HG21 VAL 61 HG21 VAL 61 2.036 -5.576 -8.618 491 HG22 VAL 61 HG22 VAL 61 2.115 -3.822 -8.481 492 HG23 VAL 61 HG23 VAL 61 0.594 -4.605 -8.915 493 H GLY 62 H GLY 62 1.947 -7.284 -4.977 494 HA2 GLY 62 HA3 GLY 62 0.599 -6.854 -2.567 495 HA3 GLY 62 HA2 GLY 62 1.589 -8.262 -2.924 496 H VAL 63 H VAL 63 4.088 -6.930 -3.191 497 HA VAL 63 HA VAL 63 4.851 -6.345 -0.459 498 HB VAL 63 HB VAL 63 6.504 -6.038 -3.008 499 HG11 VAL 63 HG11 VAL 63 7.420 -6.164 -0.102 500 HG12 VAL 63 HG12 VAL 63 7.471 -4.742 -1.148 501 HG13 VAL 63 HG13 VAL 63 8.486 -6.139 -1.510 502 HG21 VAL 63 HG21 VAL 63 5.744 -8.366 -2.746 503 HG22 VAL 63 HG22 VAL 63 6.360 -8.403 -1.094 504 HG23 VAL 63 HG23 VAL 63 7.480 -8.251 -2.449 505 H LEU 64 H LEU 64 4.349 -4.433 -3.448 506 HA LEU 64 HA LEU 64 5.410 -1.976 -2.669 507 HB2 LEU 64 HB3 LEU 64 4.641 -2.590 -4.985 508 HB3 LEU 64 HB2 LEU 64 2.986 -2.339 -4.455 509 HG LEU 64 HG LEU 64 3.646 0.075 -3.889 510 HD11 LEU 64 HD11 LEU 64 5.646 1.005 -4.968 511 HD12 LEU 64 HD12 LEU 64 6.142 -0.612 -5.467 512 HD13 LEU 64 HD13 LEU 64 6.057 -0.201 -3.751 513 HD21 LEU 64 HD21 LEU 64 2.327 -0.440 -5.883 514 HD22 LEU 64 HD22 LEU 64 3.798 -0.740 -6.807 515 HD23 LEU 64 HD23 LEU 64 3.452 0.881 -6.201 516 H LEU 65 H LEU 65 2.128 -3.201 -2.094 517 HA LEU 65 HA LEU 65 0.979 -0.875 -0.969 518 HB2 LEU 65 HB3 LEU 65 0.302 -3.782 -0.367 519 HB3 LEU 65 HB2 LEU 65 -0.724 -2.395 -0.010 520 HG LEU 65 HG LEU 65 0.032 -3.412 -2.779 521 HD11 LEU 65 HD11 LEU 65 -2.346 -3.913 -3.053 522 HD12 LEU 65 HD12 LEU 65 -2.655 -3.409 -1.388 523 HD13 LEU 65 HD13 LEU 65 -1.637 -4.815 -1.714 524 HD21 LEU 65 HD21 LEU 65 -1.680 -1.009 -2.080 525 HD22 LEU 65 HD22 LEU 65 -1.449 -1.680 -3.698 526 HD23 LEU 65 HD23 LEU 65 -0.084 -0.978 -2.835 527 H ASP 66 H ASP 66 2.829 -3.516 0.485 528 HA ASP 66 HA ASP 66 2.722 -2.609 3.206 529 HB2 ASP 66 HB3 ASP 66 4.574 -4.587 1.816 530 HB3 ASP 66 HB2 ASP 66 4.543 -4.316 3.558 531 H ILE 67 H ILE 67 4.901 -2.007 0.508 532 HA ILE 67 HA ILE 67 7.042 -0.710 1.841 533 HB ILE 67 HB ILE 67 5.931 -0.354 -0.981 534 HG12 ILE 67 HG12 ILE 67 8.460 -1.803 -0.062 535 HG13 ILE 67 HG11 ILE 67 6.936 -2.600 -0.417 536 HG21 ILE 67 HG21 ILE 67 8.043 0.808 -1.578 537 HG22 ILE 67 HG22 ILE 67 8.500 0.829 0.124 538 HG23 ILE 67 HG23 ILE 67 7.076 1.722 -0.419 539 HD11 ILE 67 HD11 ILE 67 8.542 -2.829 -2.232 540 HD12 ILE 67 HD12 ILE 67 8.616 -1.077 -2.408 541 HD13 ILE 67 HD13 ILE 67 7.116 -1.936 -2.755 542 H LEU 68 H LEU 68 4.109 0.604 0.281 543 HA LEU 68 HA LEU 68 4.455 3.305 1.134 544 HB2 LEU 68 HB3 LEU 68 1.859 1.925 0.362 545 HB3 LEU 68 HB2 LEU 68 2.176 3.653 0.335 546 HG LEU 68 HG LEU 68 3.383 1.560 -1.521 547 HD11 LEU 68 HD11 LEU 68 1.419 3.790 -2.124 548 HD12 LEU 68 HD12 LEU 68 1.060 2.063 -2.057 549 HD13 LEU 68 HD13 LEU 68 2.136 2.686 -3.304 550 HD21 LEU 68 HD21 LEU 68 4.471 3.407 -2.722 551 HD22 LEU 68 HD22 LEU 68 5.063 3.272 -1.069 552 HD23 LEU 68 HD23 LEU 68 3.915 4.546 -1.491 553 H GLN 69 H GLN 69 2.706 0.528 2.503 554 HA GLN 69 HA GLN 69 1.362 1.683 4.668 555 HB2 GLN 69 HB3 GLN 69 1.029 -0.617 3.908 556 HB3 GLN 69 HB2 GLN 69 2.648 -1.059 4.425 557 HG2 GLN 69 HG3 GLN 69 1.997 -0.730 6.778 558 HG3 GLN 69 HG2 GLN 69 0.384 -0.228 6.264 559 HE21 GLN 69 HE21 GLN 69 1.212 -2.512 7.940 560 HE22 GLN 69 HE22 GLN 69 0.544 -3.904 7.173 561 H ARG 70 H ARG 70 4.754 0.634 4.456 562 HA ARG 70 HA ARG 70 5.522 1.108 7.133 563 HB2 ARG 70 HB3 ARG 70 7.067 0.992 4.537 564 HB3 ARG 70 HB2 ARG 70 7.887 1.428 6.033 565 HG2 ARG 70 HG3 ARG 70 7.158 -0.727 7.040 566 HG3 ARG 70 HG2 ARG 70 6.411 -1.175 5.503 567 HD2 ARG 70 HD3 ARG 70 9.368 -0.524 5.797 568 HD3 ARG 70 HD2 ARG 70 8.713 -2.154 5.948 569 HE ARG 70 HE ARG 70 7.911 -1.922 3.626 570 HH11 ARG 70 HH11 ARG 70 10.446 0.248 4.555 571 HH12 ARG 70 HH12 ARG 70 11.156 0.243 2.982 572 HH21 ARG 70 HH21 ARG 70 8.842 -1.917 1.657 573 HH22 ARG 70 HH22 ARG 70 10.248 -0.957 1.360 574 H THR 71 H THR 71 4.943 3.420 4.528 575 HA THR 71 HA THR 71 6.094 5.627 6.149 576 HB THR 71 HB THR 71 5.745 7.098 4.226 577 HG1 THR 71 HG1 THR 71 4.716 4.910 2.742 578 HG21 THR 71 HG21 THR 71 6.947 4.457 3.306 579 HG22 THR 71 HG22 THR 71 7.806 5.729 4.179 580 HG23 THR 71 HG23 THR 71 7.209 6.030 2.547 581 H GLY 72 H GLY 72 3.295 3.932 6.119 582 HA2 GLY 72 HA3 GLY 72 1.479 4.231 7.484 583 HA3 GLY 72 HA2 GLY 72 2.044 5.850 7.850 584 H HIS 73 H HIS 73 0.358 7.132 7.538 585 HA HIS 73 HA HIS 73 -1.723 6.649 5.600 586 HB2 HIS 73 HB2 HIS 73 -1.941 7.710 7.981 587 HB3 HIS 73 HB1 HIS 73 -1.400 9.203 7.228 588 HD2 HIS 73 HD2 HIS 73 -3.274 10.391 5.455 589 HE1 HIS 73 HE1 HIS 73 -6.476 7.904 6.648 590 HE2 HIS 73 HE2 HIS 73 -5.822 9.965 5.350 591 H LYS 74 H LYS 74 1.193 8.562 5.741 592 HA LYS 74 HA LYS 74 0.798 10.357 3.601 593 HB2 LYS 74 HB3 LYS 74 2.742 10.336 5.243 594 HB3 LYS 74 HB2 LYS 74 3.407 8.968 4.354 595 HG2 LYS 74 HG3 LYS 74 3.421 10.468 2.288 596 HG3 LYS 74 HG2 LYS 74 3.013 11.810 3.364 597 HD2 LYS 74 HD3 LYS 74 5.125 11.230 4.689 598 HD3 LYS 74 HD2 LYS 74 5.536 10.105 3.387 599 HE2 LYS 74 HE3 LYS 74 5.272 13.123 3.216 600 HE3 LYS 74 HE2 LYS 74 6.724 12.151 2.964 601 HZ1 LYS 74 HZ1 LYS 74 4.312 12.222 1.223 602 HZ2 LYS 74 HZ2 LYS 74 5.622 11.177 1.001 603 HZ3 LYS 74 HZ3 LYS 74 5.843 12.848 0.864 604 H GLY 75 H GLY 75 2.087 7.029 3.668 605 HA2 GLY 75 HA3 GLY 75 2.461 6.631 0.891 606 HA3 GLY 75 HA2 GLY 75 2.240 5.369 2.094 607 H TYR 76 H TYR 76 -0.383 6.217 2.958 608 HA TYR 76 HA TYR 76 -2.101 4.989 1.059 609 HB2 TYR 76 HB2 TYR 76 -2.640 4.917 3.428 610 HB3 TYR 76 HB1 TYR 76 -2.711 6.674 3.523 611 HD1 TYR 76 HD1 TYR 76 -4.899 7.532 3.714 612 HD2 TYR 76 HD2 TYR 76 -4.313 3.970 1.417 613 HE1 TYR 76 HE1 TYR 76 -7.315 7.426 3.258 614 HE2 TYR 76 HE2 TYR 76 -6.725 3.866 0.969 615 HH TYR 76 HH TYR 76 -8.824 4.668 1.977 616 H VAL 77 H VAL 77 -1.560 8.430 1.895 617 HA VAL 77 HA VAL 77 -3.412 9.583 0.081 618 HB VAL 77 HB VAL 77 -0.849 10.759 1.266 619 HG11 VAL 77 HG11 VAL 77 -1.796 12.997 0.686 620 HG12 VAL 77 HG12 VAL 77 -3.104 12.199 -0.190 621 HG13 VAL 77 HG13 VAL 77 -1.439 12.030 -0.750 622 HG21 VAL 77 HG21 VAL 77 -2.544 10.138 2.963 623 HG22 VAL 77 HG22 VAL 77 -3.755 11.107 2.123 624 HG23 VAL 77 HG23 VAL 77 -2.357 11.891 2.867 625 H ALA 78 H ALA 78 0.070 8.863 -0.236 626 HA ALA 78 HA ALA 78 0.502 9.729 -2.886 627 HB1 ALA 78 HB1 ALA 78 2.500 8.291 -2.829 628 HB2 ALA 78 HB2 ALA 78 1.889 7.495 -1.374 629 HB3 ALA 78 HB3 ALA 78 2.327 9.202 -1.328 630 H PHE 79 H PHE 79 -0.633 6.652 -1.587 631 HA PHE 79 HA PHE 79 -0.799 5.117 -3.942 632 HB2 PHE 79 HB2 PHE 79 -0.985 4.178 -1.656 633 HB3 PHE 79 HB1 PHE 79 -2.514 5.017 -1.421 634 HD1 PHE 79 HD1 PHE 79 -4.490 3.771 -1.770 635 HD2 PHE 79 HD2 PHE 79 -0.905 2.616 -3.802 636 HE1 PHE 79 HE1 PHE 79 -5.644 1.816 -2.721 637 HE2 PHE 79 HE2 PHE 79 -2.068 0.682 -4.740 638 HZ PHE 79 HZ PHE 79 -4.427 0.281 -4.205 639 H LEU 80 H LEU 80 -3.293 7.103 -2.298 640 HA LEU 80 HA LEU 80 -5.353 6.850 -4.206 641 HB2 LEU 80 HB3 LEU 80 -4.807 9.090 -2.233 642 HB3 LEU 80 HB2 LEU 80 -6.294 8.938 -3.159 643 HG LEU 80 HG LEU 80 -5.314 6.919 -1.097 644 HD11 LEU 80 HD11 LEU 80 -5.969 9.005 -0.020 645 HD12 LEU 80 HD12 LEU 80 -7.147 7.740 0.320 646 HD13 LEU 80 HD13 LEU 80 -7.519 8.992 -0.869 647 HD21 LEU 80 HD21 LEU 80 -7.544 5.891 -1.323 648 HD22 LEU 80 HD22 LEU 80 -6.657 5.838 -2.843 649 HD23 LEU 80 HD23 LEU 80 -7.946 7.023 -2.619 650 H GLU 81 H GLU 81 -2.625 9.094 -4.057 651 HA GLU 81 HA GLU 81 -3.334 10.836 -6.181 652 HB2 GLU 81 HB3 GLU 81 -0.646 9.955 -5.080 653 HB3 GLU 81 HB2 GLU 81 -0.792 11.154 -6.354 654 HG2 GLU 81 HG3 GLU 81 -2.026 12.642 -4.847 655 HG3 GLU 81 HG2 GLU 81 -1.944 11.427 -3.568 656 H SER 82 H SER 82 -1.287 7.898 -6.142 657 HA SER 82 HA SER 82 -0.725 7.647 -8.877 658 HB2 SER 82 HB3 SER 82 -1.051 5.429 -6.809 659 HB3 SER 82 HB2 SER 82 -0.251 5.248 -8.374 660 HG SER 82 HG SER 82 0.630 6.492 -6.050 661 H LEU 83 H LEU 83 -3.526 6.470 -7.031 662 HA LEU 83 HA LEU 83 -4.865 5.097 -9.128 663 HB2 LEU 83 HB3 LEU 83 -5.997 6.452 -6.652 664 HB3 LEU 83 HB2 LEU 83 -6.906 5.377 -7.702 665 HG LEU 83 HG LEU 83 -4.518 4.583 -5.992 666 HD11 LEU 83 HD11 LEU 83 -7.466 3.945 -5.647 667 HD12 LEU 83 HD12 LEU 83 -6.496 5.021 -4.635 668 HD13 LEU 83 HD13 LEU 83 -6.145 3.296 -4.670 669 HD21 LEU 83 HD21 LEU 83 -4.568 3.254 -8.046 670 HD22 LEU 83 HD22 LEU 83 -6.262 2.845 -7.770 671 HD23 LEU 83 HD23 LEU 83 -5.019 2.266 -6.658 672 H GLU 84 H GLU 84 -5.413 8.403 -7.805 673 HA GLU 84 HA GLU 84 -7.449 9.203 -9.561 674 HB2 GLU 84 HB3 GLU 84 -6.978 10.321 -7.432 675 HB3 GLU 84 HB2 GLU 84 -5.426 10.883 -8.030 676 HG2 GLU 84 HG3 GLU 84 -7.108 12.681 -7.972 677 HG3 GLU 84 HG2 GLU 84 -6.524 12.381 -9.608 678 H LEU 85 H LEU 85 -3.931 9.285 -10.017 679 HA LEU 85 HA LEU 85 -4.098 10.908 -12.445 680 HB2 LEU 85 HB3 LEU 85 -2.210 10.892 -10.642 681 HB3 LEU 85 HB2 LEU 85 -1.619 9.462 -11.461 682 HG LEU 85 HG LEU 85 -1.943 12.178 -12.823 683 HD11 LEU 85 HD11 LEU 85 0.480 12.479 -12.567 684 HD12 LEU 85 HD12 LEU 85 0.577 10.989 -11.623 685 HD13 LEU 85 HD13 LEU 85 -0.326 12.374 -11.000 686 HD21 LEU 85 HD21 LEU 85 -1.899 10.306 -14.429 687 HD22 LEU 85 HD22 LEU 85 -0.383 9.727 -13.738 688 HD23 LEU 85 HD23 LEU 85 -0.439 11.287 -14.564 689 H TYR 86 H TYR 86 -3.116 7.512 -11.684 690 HA TYR 86 HA TYR 86 -2.761 6.972 -14.562 691 HB2 TYR 86 HB2 TYR 86 -1.940 5.336 -12.129 692 HB3 TYR 86 HB1 TYR 86 -1.559 4.930 -13.799 693 HD1 TYR 86 HD1 TYR 86 -0.759 7.221 -10.995 694 HD2 TYR 86 HD2 TYR 86 0.177 6.173 -15.033 695 HE1 TYR 86 HE1 TYR 86 1.300 8.553 -10.865 696 HE2 TYR 86 HE2 TYR 86 2.237 7.504 -14.895 697 HH TYR 86 HH TYR 86 3.491 8.669 -11.975 698 H TYR 87 H TYR 87 -4.828 5.965 -11.902 699 HA TYR 87 HA TYR 87 -6.301 4.070 -13.670 700 HB2 TYR 87 HB2 TYR 87 -5.518 3.670 -10.745 701 HB3 TYR 87 HB1 TYR 87 -6.685 2.652 -11.585 702 HD1 TYR 87 HD1 TYR 87 -3.106 3.395 -11.161 703 HD2 TYR 87 HD2 TYR 87 -5.955 1.186 -13.460 704 HE1 TYR 87 HE1 TYR 87 -1.288 2.052 -12.138 705 HE2 TYR 87 HE2 TYR 87 -4.144 -0.149 -14.420 706 HH TYR 87 HH TYR 87 -1.771 0.054 -14.862 707 HA PRO 88 HA PRO 88 -8.843 7.773 -12.085 708 HB2 PRO 88 HB3 PRO 88 -10.287 7.060 -14.652 709 HB3 PRO 88 HB2 PRO 88 -9.884 8.656 -13.996 710 HG2 PRO 88 HG3 PRO 88 -8.421 7.671 -15.969 711 HG3 PRO 88 HG2 PRO 88 -7.606 8.465 -14.600 712 HD2 PRO 88 HD3 PRO 88 -7.922 5.516 -15.173 713 HD3 PRO 88 HD2 PRO 88 -6.500 6.401 -14.582 714 H GLN 89 H GLN 89 -10.535 5.087 -13.763 715 HA GLN 89 HA GLN 89 -12.888 5.223 -12.176 716 HB2 GLN 89 HB3 GLN 89 -13.327 2.854 -13.255 717 HB3 GLN 89 HB2 GLN 89 -13.362 4.299 -14.242 718 HG2 GLN 89 HG3 GLN 89 -12.246 2.471 -15.405 719 HG3 GLN 89 HG2 GLN 89 -11.138 3.807 -15.123 720 HE21 GLN 89 HE21 GLN 89 -11.950 0.528 -14.240 721 HE22 GLN 89 HE22 GLN 89 -10.430 0.149 -13.512 722 H LEU 90 H LEU 90 -9.902 3.447 -11.698 723 HA LEU 90 HA LEU 90 -10.919 1.593 -9.752 724 HB2 LEU 90 HB3 LEU 90 -8.844 1.135 -11.056 725 HB3 LEU 90 HB2 LEU 90 -8.046 2.469 -10.239 726 HG LEU 90 HG LEU 90 -8.356 1.245 -8.044 727 HD11 LEU 90 HD11 LEU 90 -8.904 -1.140 -8.041 728 HD12 LEU 90 HD12 LEU 90 -9.247 -1.086 -9.771 729 HD13 LEU 90 HD13 LEU 90 -10.256 -0.179 -8.641 730 HD21 LEU 90 HD21 LEU 90 -6.210 1.170 -9.210 731 HD22 LEU 90 HD22 LEU 90 -6.733 -0.239 -10.130 732 HD23 LEU 90 HD23 LEU 90 -6.531 -0.353 -8.381 733 H TYR 91 H TYR 91 -9.334 4.801 -9.592 734 HA TYR 91 HA TYR 91 -8.987 5.131 -6.855 735 HB2 TYR 91 HB2 TYR 91 -8.259 6.847 -8.448 736 HB3 TYR 91 HB1 TYR 91 -9.925 7.215 -8.879 737 HD1 TYR 91 HD1 TYR 91 -7.363 7.560 -6.187 738 HD2 TYR 91 HD2 TYR 91 -11.299 8.657 -7.435 739 HE1 TYR 91 HE1 TYR 91 -7.475 9.247 -4.403 740 HE2 TYR 91 HE2 TYR 91 -11.397 10.340 -5.664 741 HH TYR 91 HH TYR 91 -8.709 11.369 -3.948 742 H LYS 92 H LYS 92 -11.901 6.010 -8.719 743 HA LYS 92 HA LYS 92 -13.498 6.886 -6.580 744 HB2 LYS 92 HB3 LYS 92 -14.158 5.944 -9.382 745 HB3 LYS 92 HB2 LYS 92 -15.446 6.358 -8.262 746 HG2 LYS 92 HG3 LYS 92 -15.051 8.271 -9.646 747 HG3 LYS 92 HG2 LYS 92 -14.463 8.649 -8.027 748 HD2 LYS 92 HD3 LYS 92 -12.131 8.191 -8.796 749 HD3 LYS 92 HD2 LYS 92 -12.743 7.863 -10.418 750 HE2 LYS 92 HE3 LYS 92 -13.557 10.191 -10.584 751 HE3 LYS 92 HE2 LYS 92 -12.972 10.519 -8.950 752 HZ1 LYS 92 HZ1 LYS 92 -10.730 10.184 -9.675 753 HZ2 LYS 92 HZ2 LYS 92 -11.467 11.288 -10.722 754 HZ3 LYS 92 HZ3 LYS 92 -11.237 9.685 -11.213 755 H LYS 93 H LYS 93 -13.013 3.664 -7.894 756 HA LYS 93 HA LYS 93 -15.061 2.289 -6.471 757 HB2 LYS 93 HB3 LYS 93 -14.001 1.323 -8.462 758 HB3 LYS 93 HB2 LYS 93 -12.434 1.306 -7.658 759 HG2 LYS 93 HG3 LYS 93 -13.260 -0.385 -6.057 760 HG3 LYS 93 HG2 LYS 93 -14.846 -0.352 -6.839 761 HD2 LYS 93 HD3 LYS 93 -13.826 -1.171 -8.941 762 HD3 LYS 93 HD2 LYS 93 -12.236 -1.192 -8.169 763 HE2 LYS 93 HE3 LYS 93 -12.998 -2.912 -6.597 764 HE3 LYS 93 HE2 LYS 93 -14.626 -2.844 -7.280 765 HZ1 LYS 93 HZ1 LYS 93 -13.775 -3.641 -9.362 766 HZ2 LYS 93 HZ2 LYS 93 -13.343 -4.710 -8.124 767 HZ3 LYS 93 HZ3 LYS 93 -12.192 -3.647 -8.764 768 H VAL 94 H VAL 94 -11.546 2.641 -5.829 769 HA VAL 94 HA VAL 94 -11.420 1.038 -3.502 770 HB VAL 94 HB VAL 94 -9.517 3.192 -4.524 771 HG11 VAL 94 HG11 VAL 94 -8.980 1.115 -2.362 772 HG12 VAL 94 HG12 VAL 94 -9.062 2.863 -2.124 773 HG13 VAL 94 HG13 VAL 94 -7.762 2.165 -3.093 774 HG21 VAL 94 HG21 VAL 94 -9.391 0.161 -4.769 775 HG22 VAL 94 HG22 VAL 94 -8.205 1.303 -5.410 776 HG23 VAL 94 HG23 VAL 94 -9.845 1.276 -6.061 777 H THR 95 H THR 95 -11.822 4.577 -3.855 778 HA THR 95 HA THR 95 -11.890 5.049 -0.985 779 HB THR 95 HB THR 95 -11.023 6.818 -2.475 780 HG1 THR 95 HG1 THR 95 -11.682 8.026 -0.875 781 HG21 THR 95 HG21 THR 95 -13.875 7.113 -3.497 782 HG22 THR 95 HG22 THR 95 -12.505 6.526 -4.441 783 HG23 THR 95 HG23 THR 95 -12.528 8.193 -3.863 784 H GLY 96 H GLY 96 -14.252 4.395 -3.497 785 HA2 GLY 96 HA3 GLY 96 -16.374 3.489 -3.180 786 HA3 GLY 96 HA2 GLY 96 -16.322 3.946 -1.488 787 H LYS 97 H LYS 97 -16.788 5.211 -4.771 788 HA LYS 97 HA LYS 97 -18.271 7.575 -3.802 789 HB2 LYS 97 HB3 LYS 97 -17.460 6.725 -6.618 790 HB3 LYS 97 HB2 LYS 97 -18.309 8.219 -6.226 791 HG2 LYS 97 HG3 LYS 97 -15.525 7.489 -5.258 792 HG3 LYS 97 HG2 LYS 97 -15.886 8.543 -6.629 793 HD2 LYS 97 HD3 LYS 97 -17.074 10.101 -5.074 794 HD3 LYS 97 HD2 LYS 97 -16.616 9.064 -3.718 795 HE2 LYS 97 HE3 LYS 97 -14.220 9.485 -4.243 796 HE3 LYS 97 HE2 LYS 97 -14.708 10.553 -5.560 797 HZ1 LYS 97 HZ1 LYS 97 -14.153 11.796 -3.592 798 HZ2 LYS 97 HZ2 LYS 97 -15.289 10.950 -2.678 799 HZ3 LYS 97 HZ3 LYS 97 -15.800 11.971 -3.924 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 9.442 5.348 18.272 2 H2 MET 1 HT2 MET 1 11.053 5.441 18.775 3 H3 MET 1 HT3 MET 1 10.356 6.723 17.924 4 HA MET 1 HA MET 1 9.502 5.787 20.586 5 HB2 MET 1 HB2 MET 1 10.566 7.912 21.435 6 HB3 MET 1 HB1 MET 1 11.707 6.738 20.798 7 HG2 MET 1 HG2 MET 1 11.760 8.052 18.655 8 HG3 MET 1 HG1 MET 1 10.768 9.274 19.448 9 HE1 MET 1 HE1 MET 1 14.279 7.471 19.376 10 HE2 MET 1 HE2 MET 1 13.732 7.114 21.015 11 HE3 MET 1 HE3 MET 1 15.086 8.216 20.754 12 H SER 2 H SER 2 7.482 6.359 21.098 13 HA SER 2 HA SER 2 5.430 7.308 21.162 14 HB2 SER 2 HB3 SER 2 6.935 9.855 20.422 15 HB3 SER 2 HB2 SER 2 5.292 9.802 21.063 16 HG SER 2 HG SER 2 7.374 10.031 22.494 17 H ASP 3 H ASP 3 6.189 6.064 18.670 18 HA ASP 3 HA ASP 3 5.027 7.541 16.481 19 HB2 ASP 3 HB3 ASP 3 5.632 4.557 16.667 20 HB3 ASP 3 HB2 ASP 3 5.330 5.472 15.191 21 H TYR 4 H TYR 4 2.934 8.120 17.137 22 HA TYR 4 HA TYR 4 0.911 6.176 17.870 23 HB2 TYR 4 HB2 TYR 4 0.606 9.098 17.035 24 HB3 TYR 4 HB1 TYR 4 -0.675 8.099 17.710 25 HD1 TYR 4 HD1 TYR 4 -0.480 7.306 20.129 26 HD2 TYR 4 HD2 TYR 4 2.170 10.223 18.473 27 HE1 TYR 4 HE1 TYR 4 0.149 8.027 22.395 28 HE2 TYR 4 HE2 TYR 4 2.795 10.939 20.736 29 HH TYR 4 HH TYR 4 1.861 10.897 23.002 30 H GLU 5 H GLU 5 1.411 4.783 15.920 31 HA GLU 5 HA GLU 5 0.245 5.732 13.376 32 HB2 GLU 5 HB3 GLU 5 2.493 4.582 13.370 33 HB3 GLU 5 HB2 GLU 5 1.710 3.108 13.933 34 HG2 GLU 5 HG3 GLU 5 0.290 3.168 11.835 35 HG3 GLU 5 HG2 GLU 5 1.278 4.513 11.268 36 H ASN 6 H ASN 6 -1.929 5.516 13.335 37 HA ASN 6 HA ASN 6 -3.161 2.893 14.037 38 HB2 ASN 6 HB3 ASN 6 -5.344 4.157 13.995 39 HB3 ASN 6 HB2 ASN 6 -4.223 4.710 15.231 40 HD21 ASN 6 HD21 ASN 6 -5.368 6.688 15.350 41 HD22 ASN 6 HD22 ASN 6 -5.182 7.909 14.144 42 H ASP 7 H ASP 7 -1.636 3.944 11.547 43 HA ASP 7 HA ASP 7 -3.530 3.977 9.399 44 HB2 ASP 7 HB3 ASP 7 -0.484 3.824 9.397 45 HB3 ASP 7 HB2 ASP 7 -1.453 3.924 7.928 46 H ASP 8 H ASP 8 -2.293 1.332 11.151 47 HA ASP 8 HA ASP 8 -2.233 -0.695 9.190 48 HB2 ASP 8 HB3 ASP 8 -2.657 -2.263 11.006 49 HB3 ASP 8 HB2 ASP 8 -1.572 -1.004 11.579 50 H GLU 9 H GLU 9 -4.895 1.043 10.640 51 HA GLU 9 HA GLU 9 -7.057 -0.472 9.509 52 HB2 GLU 9 HB3 GLU 9 -7.199 0.970 11.554 53 HB3 GLU 9 HB2 GLU 9 -7.014 2.396 10.547 54 HG2 GLU 9 HG3 GLU 9 -9.304 0.494 10.041 55 HG3 GLU 9 HG2 GLU 9 -9.395 1.606 11.398 56 H CYS 10 H CYS 10 -5.289 2.494 8.495 57 HA CYS 10 HA CYS 10 -6.686 3.146 6.153 58 HB2 CYS 10 HB3 CYS 10 -3.706 3.443 6.713 59 HB3 CYS 10 HB2 CYS 10 -4.536 4.200 5.357 60 H TRP 11 H TRP 11 -4.009 0.861 6.598 61 HA TRP 11 HA TRP 11 -3.937 0.003 3.840 62 HB2 TRP 11 HB2 TRP 11 -2.534 -1.228 6.264 63 HB3 TRP 11 HB1 TRP 11 -2.181 -1.576 4.570 64 HD1 TRP 11 HD1 TRP 11 -1.024 0.641 7.302 65 HE1 TRP 11 HE1 TRP 11 0.382 2.593 6.403 66 HE3 TRP 11 HE3 TRP 11 -2.008 0.136 2.313 67 HZ2 TRP 11 HZ2 TRP 11 1.000 3.756 3.921 68 HZ3 TRP 11 HZ3 TRP 11 -0.965 1.711 0.738 69 HH2 TRP 11 HH2 TRP 11 0.510 3.482 1.529 70 H SER 12 H SER 12 -5.539 -1.079 6.782 71 HA SER 12 HA SER 12 -6.364 -3.671 6.021 72 HB2 SER 12 HB3 SER 12 -6.655 -2.812 8.327 73 HB3 SER 12 HB2 SER 12 -7.889 -1.691 7.763 74 HG SER 12 HG SER 12 -8.004 -4.461 8.110 75 H VAL 13 H VAL 13 -7.826 -0.492 5.367 76 HA VAL 13 HA VAL 13 -10.111 -1.101 3.927 77 HB VAL 13 HB VAL 13 -8.004 1.011 3.231 78 HG11 VAL 13 HG11 VAL 13 -9.793 2.244 2.047 79 HG12 VAL 13 HG12 VAL 13 -10.907 0.901 2.322 80 HG13 VAL 13 HG13 VAL 13 -9.485 0.674 1.304 81 HG21 VAL 13 HG21 VAL 13 -9.417 2.600 4.482 82 HG22 VAL 13 HG22 VAL 13 -8.860 1.286 5.516 83 HG23 VAL 13 HG23 VAL 13 -10.520 1.291 4.919 84 H LEU 14 H LEU 14 -6.778 -0.940 2.725 85 HA LEU 14 HA LEU 14 -7.368 -1.582 0.020 86 HB2 LEU 14 HB3 LEU 14 -4.694 -1.730 1.448 87 HB3 LEU 14 HB2 LEU 14 -4.950 -1.643 -0.289 88 HG LEU 14 HG LEU 14 -5.423 0.547 1.760 89 HD11 LEU 14 HD11 LEU 14 -3.113 0.250 0.994 90 HD12 LEU 14 HD12 LEU 14 -3.782 1.796 0.485 91 HD13 LEU 14 HD13 LEU 14 -3.632 0.475 -0.678 92 HD21 LEU 14 HD21 LEU 14 -6.236 1.993 -0.059 93 HD22 LEU 14 HD22 LEU 14 -7.316 0.630 0.210 94 HD23 LEU 14 HD23 LEU 14 -6.218 0.622 -1.173 95 H GLU 15 H GLU 15 -6.337 -3.570 2.788 96 HA GLU 15 HA GLU 15 -5.655 -5.950 1.484 97 HB2 GLU 15 HB3 GLU 15 -7.099 -5.749 4.162 98 HB3 GLU 15 HB2 GLU 15 -6.155 -7.120 3.591 99 HG2 GLU 15 HG3 GLU 15 -5.134 -4.383 4.371 100 HG3 GLU 15 HG2 GLU 15 -4.881 -5.896 5.232 101 H GLY 16 H GLY 16 -8.830 -4.771 2.545 102 HA2 GLY 16 HA3 GLY 16 -10.451 -6.936 1.708 103 HA3 GLY 16 HA2 GLY 16 -10.991 -5.289 1.966 104 H PHE 17 H PHE 17 -8.877 -4.489 -0.190 105 HA PHE 17 HA PHE 17 -10.408 -5.288 -2.611 106 HB2 PHE 17 HB2 PHE 17 -8.901 -2.682 -2.073 107 HB3 PHE 17 HB1 PHE 17 -9.676 -3.096 -3.599 108 HD1 PHE 17 HD1 PHE 17 -12.180 -3.189 -3.742 109 HD2 PHE 17 HD2 PHE 17 -10.207 -1.871 -0.188 110 HE1 PHE 17 HE1 PHE 17 -14.285 -2.206 -2.929 111 HE2 PHE 17 HE2 PHE 17 -12.316 -0.891 0.619 112 HZ PHE 17 HZ PHE 17 -14.360 -1.059 -0.751 113 H ARG 18 H ARG 18 -7.713 -6.298 -1.147 114 HA ARG 18 HA ARG 18 -5.528 -5.440 -2.719 115 HB2 ARG 18 HB3 ARG 18 -5.179 -6.336 -0.477 116 HB3 ARG 18 HB2 ARG 18 -5.758 -7.921 -0.974 117 HG2 ARG 18 HG3 ARG 18 -3.815 -8.170 -2.471 118 HG3 ARG 18 HG2 ARG 18 -3.242 -6.571 -2.011 119 HD2 ARG 18 HD3 ARG 18 -3.637 -8.741 0.060 120 HD3 ARG 18 HD2 ARG 18 -2.162 -8.661 -0.902 121 HE ARG 18 HE ARG 18 -3.081 -6.446 0.850 122 HH11 ARG 18 HH11 ARG 18 -0.492 -8.411 -0.378 123 HH12 ARG 18 HH12 ARG 18 0.694 -7.618 0.598 124 HH21 ARG 18 HH21 ARG 18 -1.549 -5.447 2.037 125 HH22 ARG 18 HH22 ARG 18 0.103 -5.972 1.958 126 H VAL 19 H VAL 19 -7.677 -8.222 -3.221 127 HA VAL 19 HA VAL 19 -6.196 -9.511 -5.256 128 HB VAL 19 HB VAL 19 -8.101 -10.606 -4.152 129 HG11 VAL 19 HG11 VAL 19 -9.909 -8.679 -5.661 130 HG12 VAL 19 HG12 VAL 19 -9.648 -8.715 -3.917 131 HG13 VAL 19 HG13 VAL 19 -10.451 -10.068 -4.712 132 HG21 VAL 19 HG21 VAL 19 -8.520 -10.388 -7.164 133 HG22 VAL 19 HG22 VAL 19 -9.129 -11.683 -6.133 134 HG23 VAL 19 HG23 VAL 19 -7.393 -11.474 -6.348 135 H THR 20 H THR 20 -8.589 -6.880 -5.461 136 HA THR 20 HA THR 20 -8.581 -6.577 -8.305 137 HB THR 20 HB THR 20 -9.387 -4.549 -6.163 138 HG1 THR 20 HG1 THR 20 -11.534 -5.404 -6.642 139 HG21 THR 20 HG21 THR 20 -10.840 -3.556 -7.907 140 HG22 THR 20 HG22 THR 20 -10.208 -4.694 -9.098 141 HG23 THR 20 HG23 THR 20 -9.143 -3.481 -8.385 142 H LEU 21 H LEU 21 -6.839 -4.969 -5.647 143 HA LEU 21 HA LEU 21 -5.474 -2.957 -7.058 144 HB2 LEU 21 HB3 LEU 21 -4.553 -4.504 -4.603 145 HB3 LEU 21 HB2 LEU 21 -3.823 -3.011 -5.176 146 HG LEU 21 HG LEU 21 -6.640 -3.325 -4.074 147 HD11 LEU 21 HD11 LEU 21 -4.231 -1.886 -2.930 148 HD12 LEU 21 HD12 LEU 21 -4.924 -3.397 -2.337 149 HD13 LEU 21 HD13 LEU 21 -5.854 -1.905 -2.234 150 HD21 LEU 21 HD21 LEU 21 -6.840 -0.880 -4.291 151 HD22 LEU 21 HD22 LEU 21 -6.655 -1.658 -5.860 152 HD23 LEU 21 HD23 LEU 21 -5.284 -0.823 -5.123 153 H THR 22 H THR 22 -4.297 -6.185 -6.122 154 HA THR 22 HA THR 22 -1.819 -6.057 -7.483 155 HB THR 22 HB THR 22 -1.589 -8.470 -7.025 156 HG1 THR 22 HG1 THR 22 -4.375 -8.277 -6.579 157 HG21 THR 22 HG21 THR 22 -1.777 -8.431 -4.571 158 HG22 THR 22 HG22 THR 22 -2.791 -6.991 -4.659 159 HG23 THR 22 HG23 THR 22 -1.104 -6.915 -5.177 160 H SER 23 H SER 23 -4.976 -6.635 -8.713 161 HA SER 23 HA SER 23 -4.083 -8.076 -11.096 162 HB2 SER 23 HB3 SER 23 -6.281 -8.619 -10.066 163 HB3 SER 23 HB2 SER 23 -6.843 -6.984 -10.412 164 HG SER 23 HG SER 23 -7.371 -7.698 -12.308 165 H VAL 24 H VAL 24 -5.312 -4.783 -10.295 166 HA VAL 24 HA VAL 24 -5.242 -4.023 -13.152 167 HB VAL 24 HB VAL 24 -6.366 -2.386 -10.835 168 HG11 VAL 24 HG11 VAL 24 -7.638 -1.179 -12.591 169 HG12 VAL 24 HG12 VAL 24 -6.844 -2.145 -13.837 170 HG13 VAL 24 HG13 VAL 24 -5.898 -1.036 -12.844 171 HG21 VAL 24 HG21 VAL 24 -7.864 -4.303 -12.672 172 HG22 VAL 24 HG22 VAL 24 -8.607 -3.227 -11.486 173 HG23 VAL 24 HG23 VAL 24 -7.558 -4.538 -10.950 174 H ILE 25 H ILE 25 -3.621 -3.082 -10.099 175 HA ILE 25 HA ILE 25 -2.620 -0.556 -11.030 176 HB ILE 25 HB ILE 25 -1.645 -2.253 -8.680 177 HG12 ILE 25 HG12 ILE 25 -3.605 0.093 -8.759 178 HG13 ILE 25 HG11 ILE 25 -4.029 -1.594 -8.491 179 HG21 ILE 25 HG21 ILE 25 -1.085 0.698 -9.251 180 HG22 ILE 25 HG22 ILE 25 0.095 -0.613 -9.307 181 HG23 ILE 25 HG23 ILE 25 -0.641 -0.161 -7.772 182 HD11 ILE 25 HD11 ILE 25 -2.341 0.101 -6.660 183 HD12 ILE 25 HD12 ILE 25 -2.826 -1.574 -6.380 184 HD13 ILE 25 HD13 ILE 25 -4.042 -0.300 -6.442 185 H ASP 26 H ASP 26 -0.725 0.022 -11.967 186 HA ASP 26 HA ASP 26 1.385 -1.975 -12.495 187 HB2 ASP 26 HB3 ASP 26 0.363 -0.616 -14.416 188 HB3 ASP 26 HB2 ASP 26 1.099 0.816 -13.710 189 HA PRO 27 HA PRO 27 3.110 0.431 -8.906 190 HB2 PRO 27 HB3 PRO 27 4.723 -1.530 -7.910 191 HB3 PRO 27 HB2 PRO 27 2.973 -1.537 -7.643 192 HG2 PRO 27 HG3 PRO 27 4.574 -3.049 -9.702 193 HG3 PRO 27 HG2 PRO 27 3.287 -3.646 -8.631 194 HD2 PRO 27 HD3 PRO 27 2.811 -2.965 -11.228 195 HD3 PRO 27 HD2 PRO 27 1.588 -2.754 -9.958 196 H SER 28 H SER 28 4.763 -1.265 -11.514 197 HA SER 28 HA SER 28 7.402 -0.236 -10.969 198 HB2 SER 28 HB3 SER 28 8.069 -1.368 -13.050 199 HB3 SER 28 HB2 SER 28 7.080 -2.438 -12.065 200 HG SER 28 HG SER 28 5.633 -0.950 -13.870 201 H ARG 29 H ARG 29 4.695 0.779 -12.967 202 HA ARG 29 HA ARG 29 6.176 2.798 -14.427 203 HB2 ARG 29 HB3 ARG 29 4.243 1.834 -15.507 204 HB3 ARG 29 HB2 ARG 29 3.197 2.242 -14.152 205 HG2 ARG 29 HG3 ARG 29 3.245 4.573 -14.692 206 HG3 ARG 29 HG2 ARG 29 4.574 4.357 -15.832 207 HD2 ARG 29 HD3 ARG 29 2.408 4.708 -16.962 208 HD3 ARG 29 HD2 ARG 29 3.124 3.146 -17.363 209 HE ARG 29 HE ARG 29 1.396 2.688 -15.246 210 HH11 ARG 29 HH11 ARG 29 1.100 3.826 -18.499 211 HH12 ARG 29 HH12 ARG 29 -0.495 3.184 -18.681 212 HH21 ARG 29 HH21 ARG 29 -0.646 1.877 -15.530 213 HH22 ARG 29 HH22 ARG 29 -1.454 2.103 -17.038 214 H ILE 30 H ILE 30 4.160 2.738 -11.491 215 HA ILE 30 HA ILE 30 4.254 5.635 -11.217 216 HB ILE 30 HB ILE 30 2.908 5.430 -9.218 217 HG12 ILE 30 HG12 ILE 30 3.173 2.386 -9.382 218 HG13 ILE 30 HG11 ILE 30 4.061 3.389 -8.243 219 HG21 ILE 30 HG21 ILE 30 1.880 3.489 -11.328 220 HG22 ILE 30 HG22 ILE 30 1.709 5.245 -11.357 221 HG23 ILE 30 HG23 ILE 30 0.898 4.306 -10.106 222 HD11 ILE 30 HD11 ILE 30 1.076 3.006 -8.353 223 HD12 ILE 30 HD12 ILE 30 1.911 4.123 -7.265 224 HD13 ILE 30 HD13 ILE 30 2.197 2.383 -7.141 225 H THR 31 H THR 31 6.623 3.362 -10.663 226 HA THR 31 HA THR 31 7.622 3.908 -8.115 227 HB THR 31 HB THR 31 9.965 3.358 -9.032 228 HG1 THR 31 HG1 THR 31 9.218 2.167 -11.278 229 HG21 THR 31 HG21 THR 31 9.491 0.966 -9.352 230 HG22 THR 31 HG22 THR 31 7.772 1.322 -9.540 231 HG23 THR 31 HG23 THR 31 8.572 1.621 -7.995 232 HA PRO 32 HA PRO 32 10.182 7.786 -9.840 233 HB2 PRO 32 HB3 PRO 32 9.014 9.137 -11.960 234 HB3 PRO 32 HB2 PRO 32 10.303 7.938 -12.152 235 HG2 PRO 32 HG3 PRO 32 7.316 7.559 -12.415 236 HG3 PRO 32 HG2 PRO 32 8.611 7.008 -13.505 237 HD2 PRO 32 HD3 PRO 32 7.500 5.317 -11.755 238 HD3 PRO 32 HD2 PRO 32 9.247 5.262 -12.063 239 H TYR 33 H TYR 33 6.640 7.649 -10.172 240 HA TYR 33 HA TYR 33 6.021 10.216 -9.144 241 HB2 TYR 33 HB2 TYR 33 4.376 8.913 -10.446 242 HB3 TYR 33 HB1 TYR 33 4.328 7.675 -9.191 243 HD1 TYR 33 HD1 TYR 33 2.716 7.860 -7.418 244 HD2 TYR 33 HD2 TYR 33 3.681 11.328 -9.748 245 HE1 TYR 33 HE1 TYR 33 1.008 9.171 -6.214 246 HE2 TYR 33 HE2 TYR 33 1.957 12.603 -8.559 247 HH TYR 33 HH TYR 33 -0.093 12.188 -7.272 248 H LEU 34 H LEU 34 6.392 7.047 -7.575 249 HA LEU 34 HA LEU 34 5.675 7.935 -4.937 250 HB2 LEU 34 HB3 LEU 34 7.164 5.443 -5.815 251 HB3 LEU 34 HB2 LEU 34 6.508 5.718 -4.208 252 HG LEU 34 HG LEU 34 4.887 5.397 -6.765 253 HD11 LEU 34 HD11 LEU 34 5.873 3.295 -6.026 254 HD12 LEU 34 HD12 LEU 34 4.128 3.279 -5.787 255 HD13 LEU 34 HD13 LEU 34 5.204 3.521 -4.408 256 HD21 LEU 34 HD21 LEU 34 3.885 5.805 -3.923 257 HD22 LEU 34 HD22 LEU 34 2.881 5.411 -5.321 258 HD23 LEU 34 HD23 LEU 34 3.735 6.949 -5.260 259 H ARG 35 H ARG 35 8.716 7.620 -6.714 260 HA ARG 35 HA ARG 35 10.533 8.108 -4.577 261 HB2 ARG 35 HB3 ARG 35 10.808 8.572 -7.574 262 HB3 ARG 35 HB2 ARG 35 12.140 8.782 -6.442 263 HG2 ARG 35 HG3 ARG 35 10.641 6.168 -6.800 264 HG3 ARG 35 HG2 ARG 35 12.105 6.585 -7.689 265 HD2 ARG 35 HD3 ARG 35 11.953 6.448 -4.651 266 HD3 ARG 35 HD2 ARG 35 12.466 5.108 -5.678 267 HE ARG 35 HE ARG 35 14.257 6.682 -6.499 268 HH11 ARG 35 HH11 ARG 35 13.008 7.073 -3.290 269 HH12 ARG 35 HH12 ARG 35 14.504 7.693 -2.691 270 HH21 ARG 35 HH21 ARG 35 16.144 7.429 -5.677 271 HH22 ARG 35 HH22 ARG 35 16.247 7.878 -4.008 272 H GLN 36 H GLN 36 9.110 10.378 -7.012 273 HA GLN 36 HA GLN 36 10.238 12.741 -5.870 274 HB2 GLN 36 HB3 GLN 36 8.764 14.012 -7.339 275 HB3 GLN 36 HB2 GLN 36 9.443 12.650 -8.220 276 HG2 GLN 36 HG3 GLN 36 7.311 11.415 -7.919 277 HG3 GLN 36 HG2 GLN 36 6.632 12.811 -7.084 278 HE21 GLN 36 HE21 GLN 36 4.978 13.073 -8.602 279 HE22 GLN 36 HE22 GLN 36 5.269 13.625 -10.212 280 H CYS 37 H CYS 37 7.324 10.924 -5.143 281 HA CYS 37 HA CYS 37 6.214 12.877 -3.300 282 HB2 CYS 37 HB3 CYS 37 4.788 11.228 -4.539 283 HB3 CYS 37 HB2 CYS 37 5.520 9.929 -3.602 284 HG CYS 37 HG CYS 37 4.553 10.960 -1.142 285 H LYS 38 H LYS 38 8.833 10.783 -3.138 286 HA LYS 38 HA LYS 38 10.338 10.247 -1.564 287 HB2 LYS 38 HB3 LYS 38 8.806 12.136 0.275 288 HB3 LYS 38 HB2 LYS 38 10.447 11.554 0.534 289 HG2 LYS 38 HG3 LYS 38 9.508 13.396 -1.695 290 HG3 LYS 38 HG2 LYS 38 10.495 13.844 -0.303 291 HD2 LYS 38 HD3 LYS 38 11.347 11.915 -2.508 292 HD3 LYS 38 HD2 LYS 38 11.824 13.609 -2.402 293 HE2 LYS 38 HE3 LYS 38 12.475 11.515 -0.299 294 HE3 LYS 38 HE2 LYS 38 13.576 12.031 -1.575 295 HZ1 LYS 38 HZ1 LYS 38 13.457 14.287 -0.685 296 HZ2 LYS 38 HZ2 LYS 38 14.049 13.192 0.457 297 HZ3 LYS 38 HZ3 LYS 38 12.457 13.751 0.570 298 H VAL 39 H VAL 39 7.570 8.843 -1.638 299 HA VAL 39 HA VAL 39 7.547 7.554 1.019 300 HB VAL 39 HB VAL 39 5.407 6.544 0.354 301 HG11 VAL 39 HG11 VAL 39 4.046 8.605 0.197 302 HG12 VAL 39 HG12 VAL 39 5.483 9.533 -0.241 303 HG13 VAL 39 HG13 VAL 39 5.362 8.792 1.358 304 HG21 VAL 39 HG21 VAL 39 5.835 6.203 -2.057 305 HG22 VAL 39 HG22 VAL 39 5.765 7.944 -2.334 306 HG23 VAL 39 HG23 VAL 39 4.322 7.074 -1.808 307 H LEU 40 H LEU 40 9.016 7.047 -1.946 308 HA LEU 40 HA LEU 40 9.352 4.134 -1.438 309 HB2 LEU 40 HB3 LEU 40 8.119 4.804 -3.584 310 HB3 LEU 40 HB2 LEU 40 9.620 5.528 -4.135 311 HG LEU 40 HG LEU 40 10.693 3.220 -3.924 312 HD11 LEU 40 HD11 LEU 40 9.219 1.255 -3.856 313 HD12 LEU 40 HD12 LEU 40 7.817 2.295 -3.594 314 HD13 LEU 40 HD13 LEU 40 9.088 2.198 -2.372 315 HD21 LEU 40 HD21 LEU 40 10.013 4.121 -6.109 316 HD22 LEU 40 HD22 LEU 40 8.384 3.478 -5.889 317 HD23 LEU 40 HD23 LEU 40 9.757 2.379 -6.041 318 H ASN 41 H ASN 41 11.412 3.406 -1.240 319 HA ASN 41 HA ASN 41 13.667 5.303 -1.361 320 HB2 ASN 41 HB3 ASN 41 13.534 2.444 -0.287 321 HB3 ASN 41 HB2 ASN 41 14.906 3.539 -0.126 322 HD21 ASN 41 HD21 ASN 41 11.655 2.850 0.939 323 HD22 ASN 41 HD22 ASN 41 11.677 3.887 2.326 324 HA PRO 42 HA PRO 42 15.454 3.604 -5.156 325 HB2 PRO 42 HB3 PRO 42 18.130 3.221 -4.498 326 HB3 PRO 42 HB2 PRO 42 17.425 4.795 -4.895 327 HG2 PRO 42 HG3 PRO 42 17.925 3.569 -2.180 328 HG3 PRO 42 HG2 PRO 42 18.283 5.220 -2.746 329 HD2 PRO 42 HD3 PRO 42 16.114 4.724 -1.250 330 HD3 PRO 42 HD2 PRO 42 16.029 5.884 -2.597 331 H ASP 43 H ASP 43 16.250 1.878 -2.151 332 HA ASP 43 HA ASP 43 17.020 -0.634 -3.163 333 HB2 ASP 43 HB3 ASP 43 15.499 -0.100 -0.571 334 HB3 ASP 43 HB2 ASP 43 16.567 -1.464 -0.904 335 H ASP 44 H ASP 44 13.853 0.539 -2.058 336 HA ASP 44 HA ASP 44 12.327 -1.776 -2.668 337 HB2 ASP 44 HB3 ASP 44 11.402 1.105 -2.323 338 HB3 ASP 44 HB2 ASP 44 10.361 -0.319 -2.281 339 H GLU 45 H GLU 45 13.087 1.149 -4.506 340 HA GLU 45 HA GLU 45 11.356 0.710 -6.695 341 HB2 GLU 45 HB3 GLU 45 12.502 2.883 -6.238 342 HB3 GLU 45 HB2 GLU 45 14.040 2.147 -6.679 343 HG2 GLU 45 HG3 GLU 45 13.210 1.776 -8.972 344 HG3 GLU 45 HG2 GLU 45 11.661 2.489 -8.528 345 H GLU 46 H GLU 46 14.784 -0.210 -6.191 346 HA GLU 46 HA GLU 46 15.275 -1.621 -8.571 347 HB2 GLU 46 HB3 GLU 46 16.411 -2.028 -5.771 348 HB3 GLU 46 HB2 GLU 46 17.019 -2.884 -7.184 349 HG2 GLU 46 HG3 GLU 46 17.070 0.118 -6.754 350 HG3 GLU 46 HG2 GLU 46 18.438 -0.982 -6.596 351 H GLN 47 H GLN 47 13.891 -2.722 -5.495 352 HA GLN 47 HA GLN 47 13.611 -5.461 -6.051 353 HB2 GLN 47 HB3 GLN 47 13.386 -4.524 -3.783 354 HB3 GLN 47 HB2 GLN 47 11.914 -3.682 -4.253 355 HG2 GLN 47 HG3 GLN 47 10.753 -5.824 -4.566 356 HG3 GLN 47 HG2 GLN 47 12.235 -6.702 -4.189 357 HE21 GLN 47 HE21 GLN 47 9.676 -4.712 -2.851 358 HE22 GLN 47 HE22 GLN 47 9.957 -5.129 -1.202 359 H VAL 48 H VAL 48 11.133 -2.864 -6.344 360 HA VAL 48 HA VAL 48 9.087 -4.440 -7.482 361 HB VAL 48 HB VAL 48 9.513 -1.419 -7.632 362 HG11 VAL 48 HG11 VAL 48 6.995 -2.996 -8.319 363 HG12 VAL 48 HG12 VAL 48 7.998 -2.090 -9.451 364 HG13 VAL 48 HG13 VAL 48 7.098 -1.236 -8.201 365 HG21 VAL 48 HG21 VAL 48 9.231 -2.283 -5.328 366 HG22 VAL 48 HG22 VAL 48 7.724 -3.074 -5.793 367 HG23 VAL 48 HG23 VAL 48 7.838 -1.313 -5.810 368 H LEU 49 H LEU 49 11.699 -2.597 -9.027 369 HA LEU 49 HA LEU 49 10.725 -3.101 -11.724 370 HB2 LEU 49 HB3 LEU 49 13.304 -1.772 -10.796 371 HB3 LEU 49 HB2 LEU 49 12.739 -1.827 -12.458 372 HG LEU 49 HG LEU 49 11.388 -0.345 -10.164 373 HD11 LEU 49 HD11 LEU 49 13.447 0.756 -10.948 374 HD12 LEU 49 HD12 LEU 49 12.008 1.701 -11.325 375 HD13 LEU 49 HD13 LEU 49 12.812 0.775 -12.597 376 HD21 LEU 49 HD21 LEU 49 9.704 -1.202 -11.690 377 HD22 LEU 49 HD22 LEU 49 10.565 -0.524 -13.075 378 HD23 LEU 49 HD23 LEU 49 9.847 0.547 -11.869 379 H SER 50 H SER 50 12.125 -5.187 -9.686 380 HA SER 50 HA SER 50 14.345 -6.295 -11.052 381 HB2 SER 50 HB3 SER 50 13.838 -6.855 -8.704 382 HB3 SER 50 HB2 SER 50 12.369 -7.691 -9.204 383 HG SER 50 HG SER 50 14.587 -8.845 -8.855 384 H ASP 51 H ASP 51 10.951 -6.545 -11.723 385 HA ASP 51 HA ASP 51 10.990 -9.043 -13.173 386 HB2 ASP 51 HB3 ASP 51 8.835 -6.905 -13.325 387 HB3 ASP 51 HB2 ASP 51 8.658 -8.627 -13.620 388 HA PRO 52 HA PRO 52 11.952 -6.912 -17.194 389 HB2 PRO 52 HB3 PRO 52 12.855 -9.080 -18.554 390 HB3 PRO 52 HB2 PRO 52 13.865 -8.240 -17.368 391 HG2 PRO 52 HG3 PRO 52 12.275 -10.781 -17.039 392 HG3 PRO 52 HG2 PRO 52 13.933 -10.422 -16.508 393 HD2 PRO 52 HD3 PRO 52 11.732 -10.288 -14.844 394 HD3 PRO 52 HD2 PRO 52 13.208 -9.337 -14.588 395 H ASN 53 H ASN 53 10.176 -9.989 -16.717 396 HA ASN 53 HA ASN 53 8.551 -9.609 -19.128 397 HB2 ASN 53 HB3 ASN 53 8.506 -11.830 -17.043 398 HB3 ASN 53 HB2 ASN 53 7.572 -11.825 -18.538 399 HD21 ASN 53 HD21 ASN 53 9.578 -13.731 -17.626 400 HD22 ASN 53 HD22 ASN 53 10.790 -13.776 -18.855 401 H LEU 54 H LEU 54 8.357 -8.890 -15.765 402 HA LEU 54 HA LEU 54 6.866 -7.765 -14.494 403 HB2 LEU 54 HB3 LEU 54 5.532 -7.161 -17.155 404 HB3 LEU 54 HB2 LEU 54 5.184 -6.320 -15.652 405 HG LEU 54 HG LEU 54 7.934 -6.325 -16.972 406 HD11 LEU 54 HD11 LEU 54 5.804 -4.180 -17.163 407 HD12 LEU 54 HD12 LEU 54 6.349 -5.232 -18.471 408 HD13 LEU 54 HD13 LEU 54 7.462 -4.063 -17.765 409 HD21 LEU 54 HD21 LEU 54 8.438 -4.457 -15.469 410 HD22 LEU 54 HD22 LEU 54 7.974 -5.880 -14.542 411 HD23 LEU 54 HD23 LEU 54 6.824 -4.558 -14.759 412 H VAL 55 H VAL 55 6.423 -10.608 -15.025 413 HA VAL 55 HA VAL 55 3.556 -11.090 -15.031 414 HB VAL 55 HB VAL 55 5.857 -13.027 -14.472 415 HG11 VAL 55 HG11 VAL 55 4.227 -14.823 -14.995 416 HG12 VAL 55 HG12 VAL 55 2.944 -13.618 -15.147 417 HG13 VAL 55 HG13 VAL 55 3.727 -13.881 -13.588 418 HG21 VAL 55 HG21 VAL 55 5.613 -13.748 -16.822 419 HG22 VAL 55 HG22 VAL 55 6.027 -12.036 -16.731 420 HG23 VAL 55 HG23 VAL 55 4.368 -12.523 -17.084 421 H ILE 56 H ILE 56 6.209 -11.510 -12.659 422 HA ILE 56 HA ILE 56 4.593 -12.082 -10.385 423 HB ILE 56 HB ILE 56 7.413 -10.890 -10.437 424 HG12 ILE 56 HG12 ILE 56 6.570 -13.828 -10.301 425 HG13 ILE 56 HG11 ILE 56 7.272 -13.036 -11.707 426 HG21 ILE 56 HG21 ILE 56 6.364 -10.661 -8.215 427 HG22 ILE 56 HG22 ILE 56 7.686 -11.826 -8.161 428 HG23 ILE 56 HG23 ILE 56 6.012 -12.389 -8.184 429 HD11 ILE 56 HD11 ILE 56 9.357 -12.683 -10.441 430 HD12 ILE 56 HD12 ILE 56 8.917 -14.386 -10.567 431 HD13 ILE 56 HD13 ILE 56 8.641 -13.517 -9.058 432 H ARG 57 H ARG 57 5.223 -9.134 -12.051 433 HA ARG 57 HA ARG 57 5.245 -7.127 -10.184 434 HB2 ARG 57 HB3 ARG 57 5.557 -6.807 -12.610 435 HB3 ARG 57 HB2 ARG 57 3.832 -7.063 -12.875 436 HG2 ARG 57 HG3 ARG 57 3.302 -5.041 -11.626 437 HG3 ARG 57 HG2 ARG 57 4.999 -4.810 -11.207 438 HD2 ARG 57 HD3 ARG 57 4.358 -3.294 -12.993 439 HD3 ARG 57 HD2 ARG 57 5.534 -4.465 -13.593 440 HE ARG 57 HE ARG 57 3.022 -5.486 -14.184 441 HH11 ARG 57 HH11 ARG 57 4.886 -2.710 -15.083 442 HH12 ARG 57 HH12 ARG 57 4.073 -2.535 -16.596 443 HH21 ARG 57 HH21 ARG 57 2.040 -5.246 -16.150 444 HH22 ARG 57 HH22 ARG 57 2.515 -3.954 -17.197 445 H LYS 58 H LYS 58 2.470 -9.012 -11.158 446 HA LYS 58 HA LYS 58 0.343 -7.570 -10.033 447 HB2 LYS 58 HB3 LYS 58 0.747 -10.581 -10.274 448 HB3 LYS 58 HB2 LYS 58 -0.786 -9.817 -9.852 449 HG2 LYS 58 HG3 LYS 58 -0.814 -8.664 -12.045 450 HG3 LYS 58 HG2 LYS 58 0.713 -9.451 -12.469 451 HD2 LYS 58 HD3 LYS 58 -0.369 -11.662 -12.308 452 HD3 LYS 58 HD2 LYS 58 -1.892 -10.897 -11.846 453 HE2 LYS 58 HE3 LYS 58 -2.039 -9.811 -14.041 454 HE3 LYS 58 HE2 LYS 58 -0.476 -10.488 -14.502 455 HZ1 LYS 58 HZ1 LYS 58 -2.923 -12.049 -13.877 456 HZ2 LYS 58 HZ2 LYS 58 -1.420 -12.700 -14.308 457 HZ3 LYS 58 HZ3 LYS 58 -2.290 -11.770 -15.424 458 H ARG 59 H ARG 59 2.178 -10.278 -8.517 459 HA ARG 59 HA ARG 59 1.272 -9.893 -5.866 460 HB2 ARG 59 HB3 ARG 59 3.922 -11.059 -6.817 461 HB3 ARG 59 HB2 ARG 59 3.312 -11.175 -5.167 462 HG2 ARG 59 HG3 ARG 59 1.340 -12.448 -6.044 463 HG3 ARG 59 HG2 ARG 59 2.090 -12.429 -7.645 464 HD2 ARG 59 HD3 ARG 59 2.578 -14.556 -6.553 465 HD3 ARG 59 HD2 ARG 59 4.076 -13.624 -6.693 466 HE ARG 59 HE ARG 59 2.480 -13.753 -4.193 467 HH11 ARG 59 HH11 ARG 59 5.578 -13.906 -5.728 468 HH12 ARG 59 HH12 ARG 59 6.413 -14.110 -4.230 469 HH21 ARG 59 HH21 ARG 59 3.583 -14.013 -2.300 470 HH22 ARG 59 HH22 ARG 59 5.308 -14.171 -2.323 471 H LYS 60 H LYS 60 3.884 -8.351 -7.680 472 HA LYS 60 HA LYS 60 5.273 -7.123 -5.519 473 HB2 LYS 60 HB3 LYS 60 5.146 -6.248 -8.429 474 HB3 LYS 60 HB2 LYS 60 6.361 -5.738 -7.260 475 HG2 LYS 60 HG3 LYS 60 5.949 -8.652 -7.971 476 HG3 LYS 60 HG2 LYS 60 6.995 -7.605 -8.924 477 HD2 LYS 60 HD3 LYS 60 7.387 -7.897 -5.928 478 HD3 LYS 60 HD2 LYS 60 8.070 -9.068 -7.061 479 HE2 LYS 60 HE3 LYS 60 8.602 -6.077 -7.164 480 HE3 LYS 60 HE2 LYS 60 9.676 -7.267 -6.423 481 HZ1 LYS 60 HZ1 LYS 60 10.458 -6.843 -8.578 482 HZ2 LYS 60 HZ2 LYS 60 8.930 -7.025 -9.274 483 HZ3 LYS 60 HZ3 LYS 60 9.737 -8.369 -8.651 484 H VAL 61 H VAL 61 2.372 -6.082 -7.307 485 HA VAL 61 HA VAL 61 2.060 -3.505 -6.182 486 HB VAL 61 HB VAL 61 -0.197 -5.536 -6.506 487 HG11 VAL 61 HG11 VAL 61 -0.296 -2.492 -6.404 488 HG12 VAL 61 HG12 VAL 61 -0.872 -3.599 -5.157 489 HG13 VAL 61 HG13 VAL 61 -1.672 -3.551 -6.726 490 HG21 VAL 61 HG21 VAL 61 1.018 -5.299 -8.627 491 HG22 VAL 61 HG22 VAL 61 0.823 -3.546 -8.560 492 HG23 VAL 61 HG23 VAL 61 -0.593 -4.585 -8.741 493 H GLY 62 H GLY 62 0.982 -6.649 -4.819 494 HA2 GLY 62 HA3 GLY 62 0.035 -5.697 -2.315 495 HA3 GLY 62 HA2 GLY 62 0.484 -7.352 -2.690 496 H VAL 63 H VAL 63 3.209 -6.806 -3.359 497 HA VAL 63 HA VAL 63 4.536 -6.697 -0.815 498 HB VAL 63 HB VAL 63 5.702 -6.475 -3.636 499 HG11 VAL 63 HG11 VAL 63 7.170 -6.990 -1.016 500 HG12 VAL 63 HG12 VAL 63 7.306 -5.551 -2.028 501 HG13 VAL 63 HG13 VAL 63 7.887 -7.103 -2.627 502 HG21 VAL 63 HG21 VAL 63 5.487 -8.902 -1.801 503 HG22 VAL 63 HG22 VAL 63 6.286 -8.872 -3.375 504 HG23 VAL 63 HG23 VAL 63 4.547 -8.618 -3.268 505 H LEU 64 H LEU 64 4.038 -4.323 -3.433 506 HA LEU 64 HA LEU 64 5.565 -2.186 -2.397 507 HB2 LEU 64 HB3 LEU 64 4.708 -2.227 -4.720 508 HB3 LEU 64 HB2 LEU 64 3.063 -2.072 -4.123 509 HG LEU 64 HG LEU 64 3.711 0.188 -3.152 510 HD11 LEU 64 HD11 LEU 64 6.246 -0.183 -4.781 511 HD12 LEU 64 HD12 LEU 64 6.134 -0.104 -3.020 512 HD13 LEU 64 HD13 LEU 64 5.729 1.308 -3.990 513 HD21 LEU 64 HD21 LEU 64 3.972 -0.060 -6.167 514 HD22 LEU 64 HD22 LEU 64 3.542 1.397 -5.270 515 HD23 LEU 64 HD23 LEU 64 2.456 0.012 -5.264 516 H LEU 65 H LEU 65 2.140 -3.077 -1.872 517 HA LEU 65 HA LEU 65 1.316 -0.996 -0.176 518 HB2 LEU 65 HB3 LEU 65 0.553 -3.946 -0.034 519 HB3 LEU 65 HB2 LEU 65 -0.312 -2.653 0.783 520 HG LEU 65 HG LEU 65 -0.072 -2.957 -2.239 521 HD11 LEU 65 HD11 LEU 65 -2.467 -3.484 -0.448 522 HD12 LEU 65 HD12 LEU 65 -1.507 -4.704 -1.289 523 HD13 LEU 65 HD13 LEU 65 -2.456 -3.543 -2.214 524 HD21 LEU 65 HD21 LEU 65 -1.663 -0.948 -0.606 525 HD22 LEU 65 HD22 LEU 65 -1.734 -1.139 -2.359 526 HD23 LEU 65 HD23 LEU 65 -0.241 -0.602 -1.596 527 H ASP 66 H ASP 66 2.986 -4.023 0.600 528 HA ASP 66 HA ASP 66 3.073 -3.799 3.413 529 HB2 ASP 66 HB3 ASP 66 3.458 -5.883 1.980 530 HB3 ASP 66 HB2 ASP 66 5.083 -5.287 1.671 531 H ILE 67 H ILE 67 5.363 -2.758 0.903 532 HA ILE 67 HA ILE 67 7.417 -1.633 2.487 533 HB ILE 67 HB ILE 67 6.383 -0.827 -0.279 534 HG12 ILE 67 HG12 ILE 67 8.825 -2.533 0.427 535 HG13 ILE 67 HG11 ILE 67 7.268 -3.185 -0.065 536 HG21 ILE 67 HG21 ILE 67 8.558 0.315 -0.657 537 HG22 ILE 67 HG22 ILE 67 8.998 0.029 1.028 538 HG23 ILE 67 HG23 ILE 67 7.627 1.070 0.637 539 HD11 ILE 67 HD11 ILE 67 9.063 -1.448 -1.761 540 HD12 ILE 67 HD12 ILE 67 7.509 -2.121 -2.258 541 HD13 ILE 67 HD13 ILE 67 8.861 -3.194 -1.896 542 H LEU 68 H LEU 68 4.517 -0.128 1.049 543 HA LEU 68 HA LEU 68 4.990 2.516 1.927 544 HB2 LEU 68 HB3 LEU 68 2.437 1.174 0.991 545 HB3 LEU 68 HB2 LEU 68 2.580 2.899 1.281 546 HG LEU 68 HG LEU 68 4.125 1.346 -0.836 547 HD11 LEU 68 HD11 LEU 68 1.740 1.511 -1.391 548 HD12 LEU 68 HD12 LEU 68 2.705 2.509 -2.473 549 HD13 LEU 68 HD13 LEU 68 1.790 3.262 -1.165 550 HD21 LEU 68 HD21 LEU 68 4.868 3.547 -1.658 551 HD22 LEU 68 HD22 LEU 68 5.426 3.265 -0.012 552 HD23 LEU 68 HD23 LEU 68 4.057 4.340 -0.304 553 H GLN 69 H GLN 69 3.352 -0.199 3.514 554 HA GLN 69 HA GLN 69 1.884 0.938 5.541 555 HB2 GLN 69 HB3 GLN 69 3.800 -1.419 5.719 556 HB3 GLN 69 HB2 GLN 69 2.711 -0.983 7.032 557 HG2 GLN 69 HG3 GLN 69 0.767 -1.414 5.606 558 HG3 GLN 69 HG2 GLN 69 1.823 -1.758 4.239 559 HE21 GLN 69 HE21 GLN 69 3.761 -3.321 5.727 560 HE22 GLN 69 HE22 GLN 69 2.999 -4.815 6.119 561 H ARG 70 H ARG 70 5.419 0.536 5.573 562 HA ARG 70 HA ARG 70 5.807 1.734 8.144 563 HB2 ARG 70 HB3 ARG 70 7.641 0.765 5.954 564 HB3 ARG 70 HB2 ARG 70 8.307 1.689 7.293 565 HG2 ARG 70 HG3 ARG 70 6.627 -0.793 7.770 566 HG3 ARG 70 HG2 ARG 70 8.362 -0.884 7.467 567 HD2 ARG 70 HD3 ARG 70 7.861 -0.920 9.885 568 HD3 ARG 70 HD2 ARG 70 8.822 0.492 9.442 569 HE ARG 70 HE ARG 70 5.922 0.827 9.658 570 HH11 ARG 70 HH11 ARG 70 8.990 1.327 11.152 571 HH12 ARG 70 HH12 ARG 70 8.379 2.531 12.230 572 HH21 ARG 70 HH21 ARG 70 5.168 2.387 11.029 573 HH22 ARG 70 HH22 ARG 70 6.251 3.118 12.164 574 H THR 71 H THR 71 5.273 3.214 5.096 575 HA THR 71 HA THR 71 6.635 5.715 5.869 576 HB THR 71 HB THR 71 6.031 6.624 3.743 577 HG1 THR 71 HG1 THR 71 4.425 4.436 3.006 578 HG21 THR 71 HG21 THR 71 7.804 4.913 3.563 579 HG22 THR 71 HG22 THR 71 6.814 4.950 2.104 580 HG23 THR 71 HG23 THR 71 6.585 3.664 3.288 581 H GLY 72 H GLY 72 3.785 4.161 6.671 582 HA2 GLY 72 HA3 GLY 72 2.045 4.825 8.017 583 HA3 GLY 72 HA2 GLY 72 2.730 6.444 8.050 584 H HIS 73 H HIS 73 0.935 7.655 7.676 585 HA HIS 73 HA HIS 73 -1.085 6.989 5.736 586 HB2 HIS 73 HB2 HIS 73 -1.389 8.346 7.903 587 HB3 HIS 73 HB1 HIS 73 -0.715 9.722 7.028 588 HD2 HIS 73 HD2 HIS 73 -2.404 10.854 5.108 589 HE1 HIS 73 HE1 HIS 73 -5.767 8.522 6.098 590 HE2 HIS 73 HE2 HIS 73 -4.874 10.344 4.602 591 H LYS 74 H LYS 74 1.917 8.731 5.556 592 HA LYS 74 HA LYS 74 1.425 10.489 3.393 593 HB2 LYS 74 HB3 LYS 74 4.044 9.157 4.207 594 HB3 LYS 74 HB2 LYS 74 3.912 10.521 3.097 595 HG2 LYS 74 HG3 LYS 74 2.928 11.892 4.924 596 HG3 LYS 74 HG2 LYS 74 3.122 10.531 6.029 597 HD2 LYS 74 HD3 LYS 74 5.382 12.007 4.612 598 HD3 LYS 74 HD2 LYS 74 4.941 12.187 6.311 599 HE2 LYS 74 HE3 LYS 74 5.972 9.641 5.009 600 HE3 LYS 74 HE2 LYS 74 6.910 10.722 6.037 601 HZ1 LYS 74 HZ1 LYS 74 5.393 10.208 7.865 602 HZ2 LYS 74 HZ2 LYS 74 6.133 8.815 7.266 603 HZ3 LYS 74 HZ3 LYS 74 4.526 9.148 6.870 604 H GLY 75 H GLY 75 2.748 7.159 3.388 605 HA2 GLY 75 HA3 GLY 75 2.864 6.804 0.569 606 HA3 GLY 75 HA2 GLY 75 2.803 5.524 1.769 607 H TYR 76 H TYR 76 0.221 6.492 2.872 608 HA TYR 76 HA TYR 76 -1.572 5.033 1.199 609 HB2 TYR 76 HB2 TYR 76 -1.781 5.181 3.695 610 HB3 TYR 76 HB1 TYR 76 -2.267 6.869 3.533 611 HD1 TYR 76 HD1 TYR 76 -4.615 7.213 3.728 612 HD2 TYR 76 HD2 TYR 76 -3.208 3.570 1.988 613 HE1 TYR 76 HE1 TYR 76 -6.938 6.454 3.425 614 HE2 TYR 76 HE2 TYR 76 -5.519 2.823 1.691 615 HH TYR 76 HH TYR 76 -7.728 3.236 2.672 616 H VAL 77 H VAL 77 -1.246 8.530 1.901 617 HA VAL 77 HA VAL 77 -3.245 9.503 0.163 618 HB VAL 77 HB VAL 77 -0.621 10.859 0.976 619 HG11 VAL 77 HG11 VAL 77 -1.550 11.952 -1.024 620 HG12 VAL 77 HG12 VAL 77 -1.730 13.004 0.378 621 HG13 VAL 77 HG13 VAL 77 -3.122 12.111 -0.241 622 HG21 VAL 77 HG21 VAL 77 -3.408 11.135 2.180 623 HG22 VAL 77 HG22 VAL 77 -1.970 12.035 2.678 624 HG23 VAL 77 HG23 VAL 77 -2.042 10.291 2.912 625 H ALA 78 H ALA 78 0.282 9.118 -0.380 626 HA ALA 78 HA ALA 78 0.488 9.788 -3.075 627 HB1 ALA 78 HB1 ALA 78 2.087 7.671 -1.599 628 HB2 ALA 78 HB2 ALA 78 2.418 9.404 -1.583 629 HB3 ALA 78 HB3 ALA 78 2.569 8.495 -3.086 630 H PHE 79 H PHE 79 -0.418 6.678 -1.629 631 HA PHE 79 HA PHE 79 -0.615 5.129 -3.992 632 HB2 PHE 79 HB2 PHE 79 -0.542 4.115 -1.744 633 HB3 PHE 79 HB1 PHE 79 -2.090 4.849 -1.335 634 HD1 PHE 79 HD1 PHE 79 -4.133 3.716 -1.863 635 HD2 PHE 79 HD2 PHE 79 -0.471 2.388 -3.630 636 HE1 PHE 79 HE1 PHE 79 -5.276 1.732 -2.758 637 HE2 PHE 79 HE2 PHE 79 -1.623 0.408 -4.509 638 HZ PHE 79 HZ PHE 79 -4.023 0.078 -4.078 639 H LEU 80 H LEU 80 -3.123 6.958 -2.176 640 HA LEU 80 HA LEU 80 -5.302 6.381 -3.909 641 HB2 LEU 80 HB3 LEU 80 -4.915 8.740 -2.031 642 HB3 LEU 80 HB2 LEU 80 -6.441 8.289 -2.774 643 HG LEU 80 HG LEU 80 -4.892 6.632 -0.742 644 HD11 LEU 80 HD11 LEU 80 -6.777 7.081 0.770 645 HD12 LEU 80 HD12 LEU 80 -7.507 8.132 -0.447 646 HD13 LEU 80 HD13 LEU 80 -5.959 8.565 0.281 647 HD21 LEU 80 HD21 LEU 80 -7.543 5.990 -2.088 648 HD22 LEU 80 HD22 LEU 80 -6.836 5.094 -0.741 649 HD23 LEU 80 HD23 LEU 80 -6.019 5.123 -2.301 650 H GLU 81 H GLU 81 -2.886 8.947 -3.971 651 HA GLU 81 HA GLU 81 -4.143 10.544 -6.008 652 HB2 GLU 81 HB3 GLU 81 -1.248 10.574 -5.058 653 HB3 GLU 81 HB2 GLU 81 -2.020 11.809 -6.044 654 HG2 GLU 81 HG3 GLU 81 -2.659 11.137 -3.159 655 HG3 GLU 81 HG2 GLU 81 -1.778 12.545 -3.736 656 H SER 82 H SER 82 -1.538 8.060 -5.967 657 HA SER 82 HA SER 82 -0.898 8.177 -8.748 658 HB2 SER 82 HB3 SER 82 0.208 5.991 -8.449 659 HB3 SER 82 HB2 SER 82 0.603 7.061 -7.109 660 HG SER 82 HG SER 82 -0.411 5.788 -5.775 661 H LEU 83 H LEU 83 -3.315 6.300 -6.934 662 HA LEU 83 HA LEU 83 -4.410 4.854 -9.092 663 HB2 LEU 83 HB3 LEU 83 -5.757 5.929 -6.592 664 HB3 LEU 83 HB2 LEU 83 -6.552 4.862 -7.741 665 HG LEU 83 HG LEU 83 -4.198 4.193 -5.945 666 HD11 LEU 83 HD11 LEU 83 -7.012 3.074 -6.061 667 HD12 LEU 83 HD12 LEU 83 -6.357 4.144 -4.818 668 HD13 LEU 83 HD13 LEU 83 -5.720 2.512 -4.996 669 HD21 LEU 83 HD21 LEU 83 -5.404 2.471 -8.139 670 HD22 LEU 83 HD22 LEU 83 -4.263 1.911 -6.913 671 HD23 LEU 83 HD23 LEU 83 -3.763 3.125 -8.087 672 H GLU 84 H GLU 84 -5.526 7.987 -7.689 673 HA GLU 84 HA GLU 84 -7.547 8.532 -9.540 674 HB2 GLU 84 HB3 GLU 84 -7.219 9.751 -7.383 675 HB3 GLU 84 HB2 GLU 84 -5.829 10.575 -8.068 676 HG2 GLU 84 HG3 GLU 84 -7.653 12.104 -8.138 677 HG3 GLU 84 HG2 GLU 84 -7.355 11.594 -9.795 678 H LEU 85 H LEU 85 -4.078 9.209 -9.806 679 HA LEU 85 HA LEU 85 -4.256 10.855 -12.177 680 HB2 LEU 85 HB3 LEU 85 -2.435 10.845 -10.319 681 HB3 LEU 85 HB2 LEU 85 -1.755 9.455 -11.138 682 HG LEU 85 HG LEU 85 -2.073 12.200 -12.448 683 HD11 LEU 85 HD11 LEU 85 0.327 12.557 -12.024 684 HD12 LEU 85 HD12 LEU 85 0.404 11.045 -11.114 685 HD13 LEU 85 HD13 LEU 85 -0.570 12.388 -10.516 686 HD21 LEU 85 HD21 LEU 85 -0.420 11.394 -14.095 687 HD22 LEU 85 HD22 LEU 85 -1.857 10.378 -14.092 688 HD23 LEU 85 HD23 LEU 85 -0.384 9.815 -13.301 689 H TYR 86 H TYR 86 -3.088 7.476 -11.604 690 HA TYR 86 HA TYR 86 -2.646 7.085 -14.473 691 HB2 TYR 86 HB2 TYR 86 -2.005 5.328 -12.070 692 HB3 TYR 86 HB1 TYR 86 -1.634 4.882 -13.732 693 HD1 TYR 86 HD1 TYR 86 -0.845 7.382 -11.053 694 HD2 TYR 86 HD2 TYR 86 0.344 5.766 -14.829 695 HE1 TYR 86 HE1 TYR 86 1.282 8.591 -10.896 696 HE2 TYR 86 HE2 TYR 86 2.475 6.978 -14.663 697 HH TYR 86 HH TYR 86 3.326 9.048 -13.486 698 H TYR 87 H TYR 87 -4.635 5.525 -11.918 699 HA TYR 87 HA TYR 87 -6.403 4.378 -14.024 700 HB2 TYR 87 HB2 TYR 87 -5.674 3.099 -11.357 701 HB3 TYR 87 HB1 TYR 87 -6.821 2.445 -12.519 702 HD1 TYR 87 HD1 TYR 87 -3.367 2.499 -11.505 703 HD2 TYR 87 HD2 TYR 87 -5.916 1.826 -14.871 704 HE1 TYR 87 HE1 TYR 87 -1.573 1.241 -12.618 705 HE2 TYR 87 HE2 TYR 87 -4.121 0.565 -15.974 706 HH TYR 87 HH TYR 87 -1.469 -0.612 -14.434 707 HA PRO 88 HA PRO 88 -8.658 7.419 -11.187 708 HB2 PRO 88 HB3 PRO 88 -10.430 8.359 -13.128 709 HB3 PRO 88 HB2 PRO 88 -8.838 9.053 -12.789 710 HG2 PRO 88 HG3 PRO 88 -9.633 7.089 -14.937 711 HG3 PRO 88 HG2 PRO 88 -8.578 8.514 -15.057 712 HD2 PRO 88 HD3 PRO 88 -7.553 6.027 -14.885 713 HD3 PRO 88 HD2 PRO 88 -6.756 7.398 -14.082 714 H GLN 89 H GLN 89 -10.241 5.225 -13.564 715 HA GLN 89 HA GLN 89 -12.711 4.946 -12.197 716 HB2 GLN 89 HB3 GLN 89 -13.118 2.946 -13.550 717 HB3 GLN 89 HB2 GLN 89 -12.470 4.240 -14.544 718 HG2 GLN 89 HG3 GLN 89 -10.414 3.157 -14.873 719 HG3 GLN 89 HG2 GLN 89 -10.605 2.135 -13.453 720 HE21 GLN 89 HE21 GLN 89 -11.572 2.576 -16.800 721 HE22 GLN 89 HE22 GLN 89 -12.178 0.978 -17.026 722 H LEU 90 H LEU 90 -9.653 3.176 -11.888 723 HA LEU 90 HA LEU 90 -10.558 1.103 -10.163 724 HB2 LEU 90 HB3 LEU 90 -8.461 0.873 -11.387 725 HB3 LEU 90 HB2 LEU 90 -7.797 2.286 -10.586 726 HG LEU 90 HG LEU 90 -7.859 1.034 -8.404 727 HD11 LEU 90 HD11 LEU 90 -8.603 -1.365 -10.103 728 HD12 LEU 90 HD12 LEU 90 -9.615 -0.589 -8.881 729 HD13 LEU 90 HD13 LEU 90 -8.131 -1.405 -8.401 730 HD21 LEU 90 HD21 LEU 90 -5.909 -0.385 -8.868 731 HD22 LEU 90 HD22 LEU 90 -5.779 1.175 -9.676 732 HD23 LEU 90 HD23 LEU 90 -6.219 -0.262 -10.600 733 H TYR 91 H TYR 91 -9.028 4.286 -9.540 734 HA TYR 91 HA TYR 91 -8.854 4.289 -6.783 735 HB2 TYR 91 HB2 TYR 91 -8.033 6.185 -8.085 736 HB3 TYR 91 HB1 TYR 91 -9.667 6.597 -8.607 737 HD1 TYR 91 HD1 TYR 91 -7.747 6.101 -5.382 738 HD2 TYR 91 HD2 TYR 91 -10.746 8.354 -7.441 739 HE1 TYR 91 HE1 TYR 91 -8.056 7.519 -3.400 740 HE2 TYR 91 HE2 TYR 91 -11.033 9.770 -5.457 741 HH TYR 91 HH TYR 91 -8.876 9.741 -2.834 742 H LYS 92 H LYS 92 -11.749 4.990 -8.737 743 HA LYS 92 HA LYS 92 -13.488 5.695 -6.607 744 HB2 LYS 92 HB3 LYS 92 -14.472 4.421 -9.181 745 HB3 LYS 92 HB2 LYS 92 -15.287 5.605 -8.167 746 HG2 LYS 92 HG3 LYS 92 -12.947 6.063 -10.029 747 HG3 LYS 92 HG2 LYS 92 -14.595 6.660 -10.210 748 HD2 LYS 92 HD3 LYS 92 -14.268 8.126 -8.231 749 HD3 LYS 92 HD2 LYS 92 -12.620 7.519 -8.053 750 HE2 LYS 92 HE3 LYS 92 -12.085 8.407 -10.333 751 HE3 LYS 92 HE2 LYS 92 -13.710 9.095 -10.415 752 HZ1 LYS 92 HZ1 LYS 92 -11.549 9.811 -8.514 753 HZ2 LYS 92 HZ2 LYS 92 -13.135 10.381 -8.392 754 HZ3 LYS 92 HZ3 LYS 92 -12.197 10.775 -9.741 755 H LYS 93 H LYS 93 -12.702 2.597 -8.107 756 HA LYS 93 HA LYS 93 -14.668 0.988 -6.801 757 HB2 LYS 93 HB3 LYS 93 -12.005 0.218 -8.069 758 HB3 LYS 93 HB2 LYS 93 -13.249 -0.932 -7.582 759 HG2 LYS 93 HG3 LYS 93 -14.815 0.041 -9.206 760 HG3 LYS 93 HG2 LYS 93 -13.606 1.240 -9.673 761 HD2 LYS 93 HD3 LYS 93 -12.149 -0.546 -10.549 762 HD3 LYS 93 HD2 LYS 93 -13.306 -1.773 -10.027 763 HE2 LYS 93 HE3 LYS 93 -13.539 -1.372 -12.425 764 HE3 LYS 93 HE2 LYS 93 -14.991 -0.816 -11.592 765 HZ1 LYS 93 HZ1 LYS 93 -14.088 1.454 -11.703 766 HZ2 LYS 93 HZ2 LYS 93 -14.315 0.771 -13.235 767 HZ3 LYS 93 HZ3 LYS 93 -12.761 0.871 -12.582 768 H VAL 94 H VAL 94 -11.324 1.851 -6.009 769 HA VAL 94 HA VAL 94 -11.011 0.082 -3.773 770 HB VAL 94 HB VAL 94 -9.424 2.600 -4.479 771 HG11 VAL 94 HG11 VAL 94 -9.031 1.946 -2.138 772 HG12 VAL 94 HG12 VAL 94 -7.596 1.623 -3.107 773 HG13 VAL 94 HG13 VAL 94 -8.660 0.295 -2.634 774 HG21 VAL 94 HG21 VAL 94 -9.408 0.938 -6.305 775 HG22 VAL 94 HG22 VAL 94 -8.861 -0.311 -5.189 776 HG23 VAL 94 HG23 VAL 94 -7.816 1.062 -5.559 777 H THR 95 H THR 95 -11.982 3.509 -4.061 778 HA THR 95 HA THR 95 -12.369 3.808 -1.180 779 HB THR 95 HB THR 95 -11.599 5.765 -2.496 780 HG1 THR 95 HG1 THR 95 -14.194 6.219 -1.384 781 HG21 THR 95 HG21 THR 95 -13.164 7.031 -3.922 782 HG22 THR 95 HG22 THR 95 -14.375 5.762 -3.739 783 HG23 THR 95 HG23 THR 95 -12.869 5.426 -4.593 784 H GLY 96 H GLY 96 -14.196 2.511 -3.733 785 HA2 GLY 96 HA3 GLY 96 -16.218 1.388 -3.621 786 HA3 GLY 96 HA2 GLY 96 -16.494 2.048 -2.022 787 H LYS 97 H LYS 97 -15.773 4.437 -4.328 788 HA LYS 97 HA LYS 97 -18.612 5.244 -4.549 789 HB2 LYS 97 HB3 LYS 97 -16.095 6.915 -4.988 790 HB3 LYS 97 HB2 LYS 97 -17.754 7.513 -4.951 791 HG2 LYS 97 HG3 LYS 97 -17.927 6.875 -2.559 792 HG3 LYS 97 HG2 LYS 97 -16.273 6.265 -2.605 793 HD2 LYS 97 HD3 LYS 97 -16.237 8.447 -1.574 794 HD3 LYS 97 HD2 LYS 97 -15.477 8.584 -3.160 795 HE2 LYS 97 HE3 LYS 97 -17.530 9.575 -4.079 796 HE3 LYS 97 HE2 LYS 97 -18.349 9.359 -2.531 797 HZ1 LYS 97 HZ1 LYS 97 -16.783 10.888 -1.524 798 HZ2 LYS 97 HZ2 LYS 97 -17.572 11.621 -2.829 799 HZ3 LYS 97 HZ3 LYS 97 -15.976 11.087 -2.998 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 1.458 -4.047 25.713 2 H2 MET 1 HT2 MET 1 1.540 -5.478 24.822 3 H3 MET 1 HT3 MET 1 0.199 -5.173 25.802 4 HA MET 1 HA MET 1 -0.308 -4.835 23.471 5 HB2 MET 1 HB2 MET 1 -1.320 -2.578 23.684 6 HB3 MET 1 HB1 MET 1 -1.553 -3.532 25.144 7 HG2 MET 1 HG2 MET 1 0.507 -1.337 24.783 8 HG3 MET 1 HG1 MET 1 -1.018 -1.191 25.661 9 HE1 MET 1 HE1 MET 1 1.630 -1.113 28.574 10 HE2 MET 1 HE2 MET 1 0.268 -0.279 27.827 11 HE3 MET 1 HE3 MET 1 1.807 -0.390 26.974 12 H SER 2 H SER 2 0.003 -3.588 21.507 13 HA SER 2 HA SER 2 2.730 -2.762 20.984 14 HB2 SER 2 HB3 SER 2 1.915 -2.338 18.651 15 HB3 SER 2 HB2 SER 2 1.523 -3.957 19.225 16 HG SER 2 HG SER 2 -0.129 -2.107 18.290 17 H ASP 3 H ASP 3 3.391 -0.871 21.779 18 HA ASP 3 HA ASP 3 1.736 1.307 22.514 19 HB2 ASP 3 HB3 ASP 3 3.820 2.470 23.075 20 HB3 ASP 3 HB2 ASP 3 3.890 0.802 23.628 21 H TYR 4 H TYR 4 3.789 0.763 19.671 22 HA TYR 4 HA TYR 4 3.261 3.346 18.476 23 HB2 TYR 4 HB2 TYR 4 5.414 2.263 18.082 24 HB3 TYR 4 HB1 TYR 4 4.629 0.842 17.403 25 HD1 TYR 4 HD1 TYR 4 4.865 0.676 15.070 26 HD2 TYR 4 HD2 TYR 4 4.511 4.582 16.780 27 HE1 TYR 4 HE1 TYR 4 5.037 1.672 12.831 28 HE2 TYR 4 HE2 TYR 4 4.683 5.574 14.533 29 HH TYR 4 HH TYR 4 4.426 3.742 11.672 30 H GLU 5 H GLU 5 1.238 3.744 17.794 31 HA GLU 5 HA GLU 5 -0.525 1.712 16.719 32 HB2 GLU 5 HB3 GLU 5 -1.389 3.518 18.171 33 HB3 GLU 5 HB2 GLU 5 -0.889 4.729 16.994 34 HG2 GLU 5 HG3 GLU 5 -2.512 3.842 15.369 35 HG3 GLU 5 HG2 GLU 5 -2.974 2.574 16.504 36 H ASN 6 H ASN 6 -0.252 1.030 14.692 37 HA ASN 6 HA ASN 6 0.990 2.521 12.566 38 HB2 ASN 6 HB3 ASN 6 -0.617 -0.082 12.484 39 HB3 ASN 6 HB2 ASN 6 0.321 0.559 11.139 40 HD21 ASN 6 HD21 ASN 6 0.582 -1.976 12.669 41 HD22 ASN 6 HD22 ASN 6 2.217 -1.994 13.218 42 H ASP 7 H ASP 7 -0.129 2.824 10.409 43 HA ASP 7 HA ASP 7 -2.788 4.051 10.674 44 HB2 ASP 7 HB3 ASP 7 -0.824 5.145 9.445 45 HB3 ASP 7 HB2 ASP 7 -0.972 3.897 8.215 46 H ASP 8 H ASP 8 -2.595 1.183 10.982 47 HA ASP 8 HA ASP 8 -2.991 -0.363 8.685 48 HB2 ASP 8 HB3 ASP 8 -2.190 -1.231 10.852 49 HB3 ASP 8 HB2 ASP 8 -3.753 -0.892 11.587 50 H GLU 9 H GLU 9 -5.306 1.565 10.497 51 HA GLU 9 HA GLU 9 -7.747 0.397 9.788 52 HB2 GLU 9 HB3 GLU 9 -7.454 2.342 11.340 53 HB3 GLU 9 HB2 GLU 9 -7.134 3.377 9.952 54 HG2 GLU 9 HG3 GLU 9 -9.432 2.865 9.095 55 HG3 GLU 9 HG2 GLU 9 -9.737 1.926 10.554 56 H CYS 10 H CYS 10 -5.682 2.594 7.924 57 HA CYS 10 HA CYS 10 -7.399 2.820 5.623 58 HB2 CYS 10 HB3 CYS 10 -4.429 3.452 5.908 59 HB3 CYS 10 HB2 CYS 10 -5.498 4.027 4.629 60 H TRP 11 H TRP 11 -4.479 0.935 6.418 61 HA TRP 11 HA TRP 11 -4.066 -0.074 3.759 62 HB2 TRP 11 HB2 TRP 11 -2.754 -0.804 6.410 63 HB3 TRP 11 HB1 TRP 11 -2.227 -1.422 4.841 64 HD1 TRP 11 HD1 TRP 11 -1.906 1.630 7.060 65 HE1 TRP 11 HE1 TRP 11 -0.469 3.403 5.893 66 HE3 TRP 11 HE3 TRP 11 -1.622 -0.483 2.413 67 HZ2 TRP 11 HZ2 TRP 11 0.638 3.854 3.349 68 HZ3 TRP 11 HZ3 TRP 11 -0.355 0.690 0.658 69 HH2 TRP 11 HH2 TRP 11 0.749 2.816 1.124 70 H SER 12 H SER 12 -5.646 -1.404 6.615 71 HA SER 12 HA SER 12 -5.782 -4.126 5.774 72 HB2 SER 12 HB3 SER 12 -7.471 -4.419 7.536 73 HB3 SER 12 HB2 SER 12 -6.145 -3.424 8.139 74 HG SER 12 HG SER 12 -7.541 -1.902 8.501 75 H VAL 13 H VAL 13 -7.883 -1.324 5.254 76 HA VAL 13 HA VAL 13 -10.041 -2.613 3.935 77 HB VAL 13 HB VAL 13 -9.004 0.240 3.574 78 HG11 VAL 13 HG11 VAL 13 -10.455 -0.366 1.680 79 HG12 VAL 13 HG12 VAL 13 -11.277 0.791 2.724 80 HG13 VAL 13 HG13 VAL 13 -11.713 -0.918 2.789 81 HG21 VAL 13 HG21 VAL 13 -9.628 -0.244 5.908 82 HG22 VAL 13 HG22 VAL 13 -11.214 -0.818 5.386 83 HG23 VAL 13 HG23 VAL 13 -10.777 0.880 5.179 84 H LEU 14 H LEU 14 -6.958 -1.291 2.729 85 HA LEU 14 HA LEU 14 -7.350 -1.782 -0.032 86 HB2 LEU 14 HB3 LEU 14 -4.712 -1.783 1.479 87 HB3 LEU 14 HB2 LEU 14 -4.913 -1.597 -0.260 88 HG LEU 14 HG LEU 14 -5.699 0.384 1.909 89 HD11 LEU 14 HD11 LEU 14 -4.114 1.879 0.794 90 HD12 LEU 14 HD12 LEU 14 -3.727 0.622 -0.381 91 HD13 LEU 14 HD13 LEU 14 -3.330 0.394 1.323 92 HD21 LEU 14 HD21 LEU 14 -6.337 0.559 -1.059 93 HD22 LEU 14 HD22 LEU 14 -6.529 1.869 0.110 94 HD23 LEU 14 HD23 LEU 14 -7.496 0.407 0.266 95 H GLU 15 H GLU 15 -5.785 -3.768 2.491 96 HA GLU 15 HA GLU 15 -5.265 -6.103 1.053 97 HB2 GLU 15 HB3 GLU 15 -6.118 -5.822 3.965 98 HB3 GLU 15 HB2 GLU 15 -5.381 -7.266 3.273 99 HG2 GLU 15 HG3 GLU 15 -4.015 -4.555 3.334 100 HG3 GLU 15 HG2 GLU 15 -3.849 -5.751 4.615 101 H GLY 16 H GLY 16 -8.278 -4.963 2.532 102 HA2 GLY 16 HA3 GLY 16 -9.972 -7.168 2.132 103 HA3 GLY 16 HA2 GLY 16 -10.480 -5.489 2.209 104 H PHE 17 H PHE 17 -8.796 -4.770 -0.177 105 HA PHE 17 HA PHE 17 -10.401 -6.031 -2.355 106 HB2 PHE 17 HB2 PHE 17 -9.197 -3.217 -2.230 107 HB3 PHE 17 HB1 PHE 17 -10.052 -3.886 -3.617 108 HD1 PHE 17 HD1 PHE 17 -12.524 -4.569 -3.294 109 HD2 PHE 17 HD2 PHE 17 -10.416 -2.086 -0.520 110 HE1 PHE 17 HE1 PHE 17 -14.660 -3.744 -2.401 111 HE2 PHE 17 HE2 PHE 17 -12.561 -1.268 0.369 112 HZ PHE 17 HZ PHE 17 -14.685 -2.097 -0.570 113 H ARG 18 H ARG 18 -7.688 -6.793 -1.103 114 HA ARG 18 HA ARG 18 -5.497 -5.929 -2.583 115 HB2 ARG 18 HB3 ARG 18 -5.368 -7.120 -0.427 116 HB3 ARG 18 HB2 ARG 18 -5.849 -8.618 -1.209 117 HG2 ARG 18 HG3 ARG 18 -3.763 -8.662 -2.486 118 HG3 ARG 18 HG2 ARG 18 -3.299 -7.087 -1.833 119 HD2 ARG 18 HD3 ARG 18 -3.130 -8.018 0.421 120 HD3 ARG 18 HD2 ARG 18 -3.745 -9.576 -0.141 121 HE ARG 18 HE ARG 18 -1.661 -9.617 -1.587 122 HH11 ARG 18 HH11 ARG 18 -1.635 -7.926 1.434 123 HH12 ARG 18 HH12 ARG 18 0.031 -8.280 1.722 124 HH21 ARG 18 HH21 ARG 18 0.470 -10.023 -1.187 125 HH22 ARG 18 HH22 ARG 18 1.199 -9.431 0.262 126 H VAL 19 H VAL 19 -7.606 -8.720 -3.289 127 HA VAL 19 HA VAL 19 -6.168 -9.913 -5.384 128 HB VAL 19 HB VAL 19 -9.207 -9.744 -5.096 129 HG11 VAL 19 HG11 VAL 19 -9.272 -11.837 -6.441 130 HG12 VAL 19 HG12 VAL 19 -7.527 -11.726 -6.688 131 HG13 VAL 19 HG13 VAL 19 -8.595 -10.490 -7.356 132 HG21 VAL 19 HG21 VAL 19 -7.283 -11.860 -4.049 133 HG22 VAL 19 HG22 VAL 19 -9.045 -11.924 -3.936 134 HG23 VAL 19 HG23 VAL 19 -8.151 -10.672 -3.073 135 H THR 20 H THR 20 -8.644 -7.342 -5.567 136 HA THR 20 HA THR 20 -8.565 -6.924 -8.385 137 HB THR 20 HB THR 20 -9.477 -5.036 -6.163 138 HG1 THR 20 HG1 THR 20 -11.457 -6.152 -7.625 139 HG21 THR 20 HG21 THR 20 -10.838 -3.914 -7.903 140 HG22 THR 20 HG22 THR 20 -10.116 -4.941 -9.142 141 HG23 THR 20 HG23 THR 20 -9.116 -3.781 -8.265 142 H LEU 21 H LEU 21 -7.101 -5.125 -5.660 143 HA LEU 21 HA LEU 21 -5.937 -3.029 -7.107 144 HB2 LEU 21 HB3 LEU 21 -5.087 -4.233 -4.451 145 HB3 LEU 21 HB2 LEU 21 -4.486 -2.706 -5.080 146 HG LEU 21 HG LEU 21 -7.359 -3.319 -4.276 147 HD11 LEU 21 HD11 LEU 21 -5.325 -1.445 -3.030 148 HD12 LEU 21 HD12 LEU 21 -5.872 -2.984 -2.360 149 HD13 LEU 21 HD13 LEU 21 -7.004 -1.644 -2.520 150 HD21 LEU 21 HD21 LEU 21 -7.848 -0.965 -4.785 151 HD22 LEU 21 HD22 LEU 21 -7.356 -1.843 -6.229 152 HD23 LEU 21 HD23 LEU 21 -6.218 -0.751 -5.433 153 H THR 22 H THR 22 -4.381 -6.051 -5.986 154 HA THR 22 HA THR 22 -1.812 -5.458 -7.038 155 HB THR 22 HB THR 22 -1.270 -7.827 -6.634 156 HG1 THR 22 HG1 THR 22 -3.714 -8.480 -5.526 157 HG21 THR 22 HG21 THR 22 -2.908 -6.618 -4.376 158 HG22 THR 22 HG22 THR 22 -1.208 -6.278 -4.712 159 HG23 THR 22 HG23 THR 22 -1.699 -7.896 -4.211 160 H SER 23 H SER 23 -4.651 -6.901 -8.480 161 HA SER 23 HA SER 23 -3.324 -8.000 -10.803 162 HB2 SER 23 HB3 SER 23 -5.402 -9.005 -9.939 163 HB3 SER 23 HB2 SER 23 -6.285 -7.521 -10.285 164 HG SER 23 HG SER 23 -5.958 -9.534 -11.889 165 H VAL 24 H VAL 24 -5.108 -4.966 -10.114 166 HA VAL 24 HA VAL 24 -4.977 -4.137 -12.932 167 HB VAL 24 HB VAL 24 -6.098 -2.549 -10.579 168 HG11 VAL 24 HG11 VAL 24 -5.581 -1.138 -12.536 169 HG12 VAL 24 HG12 VAL 24 -7.325 -1.261 -12.309 170 HG13 VAL 24 HG13 VAL 24 -6.534 -2.200 -13.578 171 HG21 VAL 24 HG21 VAL 24 -7.312 -4.690 -10.804 172 HG22 VAL 24 HG22 VAL 24 -7.603 -4.363 -12.511 173 HG23 VAL 24 HG23 VAL 24 -8.339 -3.335 -11.279 174 H ILE 25 H ILE 25 -3.717 -2.876 -9.807 175 HA ILE 25 HA ILE 25 -2.430 -0.575 -10.783 176 HB ILE 25 HB ILE 25 -1.722 -2.201 -8.296 177 HG12 ILE 25 HG12 ILE 25 -3.470 0.292 -8.536 178 HG13 ILE 25 HG11 ILE 25 -4.091 -1.350 -8.398 179 HG21 ILE 25 HG21 ILE 25 -0.656 -0.136 -7.410 180 HG22 ILE 25 HG22 ILE 25 -0.948 0.677 -8.949 181 HG23 ILE 25 HG23 ILE 25 0.155 -0.697 -8.873 182 HD11 ILE 25 HD11 ILE 25 -2.444 0.091 -6.328 183 HD12 ILE 25 HD12 ILE 25 -3.089 -1.549 -6.188 184 HD13 ILE 25 HD13 ILE 25 -4.186 -0.173 -6.291 185 H ASP 26 H ASP 26 -0.583 -0.249 -11.856 186 HA ASP 26 HA ASP 26 1.486 -2.347 -12.041 187 HB2 ASP 26 HB3 ASP 26 0.481 -1.240 -14.127 188 HB3 ASP 26 HB2 ASP 26 1.296 0.240 -13.642 189 HA PRO 27 HA PRO 27 3.301 0.397 -8.801 190 HB2 PRO 27 HB3 PRO 27 5.155 -1.381 -7.854 191 HB3 PRO 27 HB2 PRO 27 3.439 -1.494 -7.439 192 HG2 PRO 27 HG3 PRO 27 4.985 -3.023 -9.529 193 HG3 PRO 27 HG2 PRO 27 3.802 -3.630 -8.348 194 HD2 PRO 27 HD3 PRO 27 3.152 -3.120 -10.946 195 HD3 PRO 27 HD2 PRO 27 1.983 -2.931 -9.625 196 H SER 28 H SER 28 4.988 -1.377 -11.327 197 HA SER 28 HA SER 28 7.529 -0.106 -11.156 198 HB2 SER 28 HB3 SER 28 6.240 -1.628 -13.459 199 HB3 SER 28 HB2 SER 28 7.958 -1.226 -13.327 200 HG SER 28 HG SER 28 8.218 -2.797 -11.941 201 H ARG 29 H ARG 29 4.605 0.502 -12.982 202 HA ARG 29 HA ARG 29 5.505 2.515 -14.755 203 HB2 ARG 29 HB3 ARG 29 3.362 1.165 -14.866 204 HB3 ARG 29 HB2 ARG 29 2.723 2.153 -13.559 205 HG2 ARG 29 HG3 ARG 29 2.873 4.150 -15.024 206 HG3 ARG 29 HG2 ARG 29 3.505 3.133 -16.327 207 HD2 ARG 29 HD3 ARG 29 0.744 3.013 -15.060 208 HD3 ARG 29 HD2 ARG 29 1.139 3.446 -16.728 209 HE ARG 29 HE ARG 29 2.030 0.805 -16.127 210 HH11 ARG 29 HH11 ARG 29 -0.856 2.533 -16.965 211 HH12 ARG 29 HH12 ARG 29 -1.657 1.100 -17.495 212 HH21 ARG 29 HH21 ARG 29 0.964 -0.971 -16.773 213 HH22 ARG 29 HH22 ARG 29 -0.653 -0.852 -17.380 214 H ILE 30 H ILE 30 4.496 2.606 -11.376 215 HA ILE 30 HA ILE 30 4.394 5.566 -11.374 216 HB ILE 30 HB ILE 30 3.029 5.471 -9.377 217 HG12 ILE 30 HG12 ILE 30 3.296 2.423 -9.399 218 HG13 ILE 30 HG11 ILE 30 4.168 3.479 -8.296 219 HG21 ILE 30 HG21 ILE 30 1.022 4.288 -10.216 220 HG22 ILE 30 HG22 ILE 30 2.015 3.419 -11.389 221 HG23 ILE 30 HG23 ILE 30 1.832 5.171 -11.514 222 HD11 ILE 30 HD11 ILE 30 1.191 3.052 -8.418 223 HD12 ILE 30 HD12 ILE 30 1.989 4.253 -7.393 224 HD13 ILE 30 HD13 ILE 30 2.310 2.531 -7.158 225 H THR 31 H THR 31 6.843 3.470 -10.840 226 HA THR 31 HA THR 31 7.639 3.917 -8.172 227 HB THR 31 HB THR 31 9.965 3.268 -8.777 228 HG1 THR 31 HG1 THR 31 10.558 3.647 -10.731 229 HG21 THR 31 HG21 THR 31 8.380 1.498 -8.250 230 HG22 THR 31 HG22 THR 31 9.500 0.966 -9.511 231 HG23 THR 31 HG23 THR 31 7.852 1.439 -9.932 232 HA PRO 32 HA PRO 32 10.378 7.746 -9.530 233 HB2 PRO 32 HB3 PRO 32 9.646 9.168 -11.775 234 HB3 PRO 32 HB2 PRO 32 10.860 7.883 -11.790 235 HG2 PRO 32 HG3 PRO 32 7.961 7.754 -12.587 236 HG3 PRO 32 HG2 PRO 32 9.376 7.050 -13.394 237 HD2 PRO 32 HD3 PRO 32 7.717 5.577 -11.812 238 HD3 PRO 32 HD2 PRO 32 9.452 5.224 -11.953 239 H TYR 33 H TYR 33 6.899 7.651 -10.181 240 HA TYR 33 HA TYR 33 6.245 10.236 -9.169 241 HB2 TYR 33 HB2 TYR 33 4.690 8.916 -10.607 242 HB3 TYR 33 HB1 TYR 33 4.497 7.733 -9.313 243 HD1 TYR 33 HD1 TYR 33 2.662 8.008 -7.802 244 HD2 TYR 33 HD2 TYR 33 4.140 11.410 -9.956 245 HE1 TYR 33 HE1 TYR 33 0.900 9.424 -6.814 246 HE2 TYR 33 HE2 TYR 33 2.379 12.800 -8.977 247 HH TYR 33 HH TYR 33 0.597 11.891 -6.324 248 H LEU 34 H LEU 34 6.522 7.021 -7.667 249 HA LEU 34 HA LEU 34 5.693 7.805 -5.034 250 HB2 LEU 34 HB3 LEU 34 7.307 5.407 -5.961 251 HB3 LEU 34 HB2 LEU 34 6.678 5.610 -4.332 252 HG LEU 34 HG LEU 34 5.022 5.265 -6.864 253 HD11 LEU 34 HD11 LEU 34 5.456 3.386 -4.519 254 HD12 LEU 34 HD12 LEU 34 6.102 3.198 -6.151 255 HD13 LEU 34 HD13 LEU 34 4.364 3.107 -5.881 256 HD21 LEU 34 HD21 LEU 34 3.042 5.207 -5.391 257 HD22 LEU 34 HD22 LEU 34 3.851 6.769 -5.320 258 HD23 LEU 34 HD23 LEU 34 4.054 5.613 -4.001 259 H ARG 35 H ARG 35 8.865 7.590 -6.645 260 HA ARG 35 HA ARG 35 10.589 8.377 -4.571 261 HB2 ARG 35 HB3 ARG 35 10.632 9.177 -7.517 262 HB3 ARG 35 HB2 ARG 35 11.957 9.492 -6.405 263 HG2 ARG 35 HG3 ARG 35 10.955 6.711 -7.071 264 HG3 ARG 35 HG2 ARG 35 12.256 7.525 -7.942 265 HD2 ARG 35 HD3 ARG 35 13.340 7.782 -5.554 266 HD3 ARG 35 HD2 ARG 35 12.234 6.471 -5.116 267 HE ARG 35 HE ARG 35 13.267 5.226 -7.041 268 HH11 ARG 35 HH11 ARG 35 15.115 7.563 -5.278 269 HH12 ARG 35 HH12 ARG 35 16.620 6.900 -5.801 270 HH21 ARG 35 HH21 ARG 35 15.202 4.445 -7.722 271 HH22 ARG 35 HH22 ARG 35 16.671 5.166 -7.162 272 H GLN 36 H GLN 36 8.860 10.423 -6.921 273 HA GLN 36 HA GLN 36 9.410 12.964 -5.878 274 HB2 GLN 36 HB3 GLN 36 8.568 12.544 -8.140 275 HB3 GLN 36 HB2 GLN 36 7.052 11.930 -7.493 276 HG2 GLN 36 HG3 GLN 36 6.496 14.180 -6.644 277 HG3 GLN 36 HG2 GLN 36 8.020 14.795 -7.296 278 HE21 GLN 36 HE21 GLN 36 4.927 13.364 -8.156 279 HE22 GLN 36 HE22 GLN 36 4.880 13.968 -9.776 280 H CYS 37 H CYS 37 6.845 10.670 -5.010 281 HA CYS 37 HA CYS 37 5.396 12.420 -3.238 282 HB2 CYS 37 HB3 CYS 37 5.344 9.412 -3.619 283 HB3 CYS 37 HB2 CYS 37 4.298 10.248 -2.478 284 HG CYS 37 HG CYS 37 2.448 10.806 -4.155 285 H LYS 38 H LYS 38 8.393 10.930 -2.898 286 HA LYS 38 HA LYS 38 9.909 10.698 -1.247 287 HB2 LYS 38 HB3 LYS 38 7.974 12.352 0.424 288 HB3 LYS 38 HB2 LYS 38 9.645 12.023 0.854 289 HG2 LYS 38 HG3 LYS 38 8.928 13.501 -1.699 290 HG3 LYS 38 HG2 LYS 38 9.046 14.331 -0.155 291 HD2 LYS 38 HD3 LYS 38 11.155 14.678 -1.166 292 HD3 LYS 38 HD2 LYS 38 11.444 13.399 0.010 293 HE2 LYS 38 HE3 LYS 38 11.432 11.721 -1.774 294 HE3 LYS 38 HE2 LYS 38 11.008 12.948 -2.969 295 HZ1 LYS 38 HZ1 LYS 38 13.518 12.908 -1.386 296 HZ2 LYS 38 HZ2 LYS 38 13.126 14.003 -2.617 297 HZ3 LYS 38 HZ3 LYS 38 13.369 12.368 -2.980 298 H VAL 39 H VAL 39 7.934 8.634 -1.597 299 HA VAL 39 HA VAL 39 7.684 7.476 1.133 300 HB VAL 39 HB VAL 39 5.705 6.221 0.349 301 HG11 VAL 39 HG11 VAL 39 4.114 8.104 0.149 302 HG12 VAL 39 HG12 VAL 39 5.449 9.208 -0.190 303 HG13 VAL 39 HG13 VAL 39 5.334 8.421 1.386 304 HG21 VAL 39 HG21 VAL 39 6.026 7.714 -2.293 305 HG22 VAL 39 HG22 VAL 39 4.669 6.669 -1.861 306 HG23 VAL 39 HG23 VAL 39 6.284 5.986 -2.042 307 H LEU 40 H LEU 40 9.218 7.032 -1.908 308 HA LEU 40 HA LEU 40 9.550 4.099 -1.476 309 HB2 LEU 40 HB3 LEU 40 8.241 4.883 -3.542 310 HB3 LEU 40 HB2 LEU 40 9.751 5.539 -4.148 311 HG LEU 40 HG LEU 40 10.711 3.154 -3.950 312 HD11 LEU 40 HD11 LEU 40 9.097 1.299 -3.944 313 HD12 LEU 40 HD12 LEU 40 7.776 2.431 -3.651 314 HD13 LEU 40 HD13 LEU 40 9.039 2.210 -2.437 315 HD21 LEU 40 HD21 LEU 40 8.457 3.604 -5.935 316 HD22 LEU 40 HD22 LEU 40 9.754 2.415 -6.089 317 HD23 LEU 40 HD23 LEU 40 10.131 4.135 -6.121 318 H ASN 41 H ASN 41 11.585 3.506 -0.943 319 HA ASN 41 HA ASN 41 13.889 5.232 -1.399 320 HB2 ASN 41 HB3 ASN 41 13.777 2.403 -0.252 321 HB3 ASN 41 HB2 ASN 41 15.171 3.482 -0.199 322 HD21 ASN 41 HD21 ASN 41 12.108 2.717 1.183 323 HD22 ASN 41 HD22 ASN 41 12.167 3.844 2.488 324 HA PRO 42 HA PRO 42 15.409 3.460 -5.288 325 HB2 PRO 42 HB3 PRO 42 18.148 3.198 -4.699 326 HB3 PRO 42 HB2 PRO 42 17.361 4.686 -5.241 327 HG2 PRO 42 HG3 PRO 42 18.005 3.798 -2.427 328 HG3 PRO 42 HG2 PRO 42 18.245 5.391 -3.181 329 HD2 PRO 42 HD3 PRO 42 16.170 4.989 -1.563 330 HD3 PRO 42 HD2 PRO 42 15.948 5.930 -3.058 331 H ASP 43 H ASP 43 16.192 1.843 -2.260 332 HA ASP 43 HA ASP 43 17.007 -0.687 -3.251 333 HB2 ASP 43 HB3 ASP 43 15.629 -0.015 -0.610 334 HB3 ASP 43 HB2 ASP 43 16.575 -1.468 -0.947 335 H ASP 44 H ASP 44 13.816 0.586 -2.280 336 HA ASP 44 HA ASP 44 12.320 -1.807 -2.727 337 HB2 ASP 44 HB3 ASP 44 11.252 1.041 -2.778 338 HB3 ASP 44 HB2 ASP 44 10.337 -0.427 -2.445 339 H GLU 45 H GLU 45 12.989 1.081 -4.685 340 HA GLU 45 HA GLU 45 11.391 0.434 -6.931 341 HB2 GLU 45 HB3 GLU 45 12.297 2.712 -6.488 342 HB3 GLU 45 HB2 GLU 45 13.923 2.130 -6.842 343 HG2 GLU 45 HG3 GLU 45 13.268 1.629 -9.151 344 HG3 GLU 45 HG2 GLU 45 11.614 2.123 -8.809 345 H GLU 46 H GLU 46 14.809 -0.253 -6.192 346 HA GLU 46 HA GLU 46 15.635 -1.640 -8.471 347 HB2 GLU 46 HB3 GLU 46 17.203 -1.046 -6.696 348 HB3 GLU 46 HB2 GLU 46 16.350 -2.047 -5.535 349 HG2 GLU 46 HG3 GLU 46 18.422 -3.117 -6.162 350 HG3 GLU 46 HG2 GLU 46 17.069 -4.077 -6.749 351 H GLN 47 H GLN 47 13.861 -2.834 -5.617 352 HA GLN 47 HA GLN 47 13.633 -5.552 -6.365 353 HB2 GLN 47 HB3 GLN 47 13.176 -4.705 -4.067 354 HB3 GLN 47 HB2 GLN 47 11.739 -3.880 -4.658 355 HG2 GLN 47 HG3 GLN 47 10.853 -6.180 -5.337 356 HG3 GLN 47 HG2 GLN 47 12.203 -6.868 -4.431 357 HE21 GLN 47 HE21 GLN 47 10.896 -7.849 -2.879 358 HE22 GLN 47 HE22 GLN 47 9.979 -6.959 -1.726 359 H VAL 48 H VAL 48 11.277 -2.867 -6.741 360 HA VAL 48 HA VAL 48 9.216 -4.352 -7.940 361 HB VAL 48 HB VAL 48 9.740 -1.352 -8.054 362 HG11 VAL 48 HG11 VAL 48 8.177 -1.986 -9.839 363 HG12 VAL 48 HG12 VAL 48 7.323 -1.114 -8.569 364 HG13 VAL 48 HG13 VAL 48 7.177 -2.869 -8.682 365 HG21 VAL 48 HG21 VAL 48 9.487 -2.221 -5.750 366 HG22 VAL 48 HG22 VAL 48 7.947 -2.963 -6.187 367 HG23 VAL 48 HG23 VAL 48 8.114 -1.205 -6.196 368 H LEU 49 H LEU 49 11.795 -2.422 -9.489 369 HA LEU 49 HA LEU 49 10.776 -2.870 -12.177 370 HB2 LEU 49 HB3 LEU 49 13.341 -1.526 -11.251 371 HB3 LEU 49 HB2 LEU 49 12.742 -1.529 -12.905 372 HG LEU 49 HG LEU 49 11.387 -0.187 -10.523 373 HD11 LEU 49 HD11 LEU 49 12.771 1.060 -12.918 374 HD12 LEU 49 HD12 LEU 49 13.399 1.007 -11.268 375 HD13 LEU 49 HD13 LEU 49 11.933 1.920 -11.617 376 HD21 LEU 49 HD21 LEU 49 10.552 -0.193 -13.445 377 HD22 LEU 49 HD22 LEU 49 9.799 0.744 -12.149 378 HD23 LEU 49 HD23 LEU 49 9.720 -1.015 -12.123 379 H SER 50 H SER 50 12.494 -4.879 -10.169 380 HA SER 50 HA SER 50 14.705 -5.752 -11.699 381 HB2 SER 50 HB3 SER 50 14.433 -6.211 -9.276 382 HB3 SER 50 HB2 SER 50 13.129 -7.340 -9.633 383 HG SER 50 HG SER 50 15.832 -7.570 -10.497 384 H ASP 51 H ASP 51 11.351 -6.422 -12.209 385 HA ASP 51 HA ASP 51 11.870 -8.696 -14.005 386 HB2 ASP 51 HB3 ASP 51 9.317 -7.434 -12.947 387 HB3 ASP 51 HB2 ASP 51 9.288 -8.580 -14.286 388 HA PRO 52 HA PRO 52 11.481 -5.827 -17.606 389 HB2 PRO 52 HB3 PRO 52 12.233 -7.616 -19.514 390 HB3 PRO 52 HB2 PRO 52 13.421 -6.826 -18.465 391 HG2 PRO 52 HG3 PRO 52 12.192 -9.579 -18.187 392 HG3 PRO 52 HG2 PRO 52 13.905 -9.110 -18.086 393 HD2 PRO 52 HD3 PRO 52 12.370 -9.485 -15.863 394 HD3 PRO 52 HD2 PRO 52 13.682 -8.283 -15.911 395 H ASN 53 H ASN 53 10.000 -8.870 -16.819 396 HA ASN 53 HA ASN 53 8.073 -8.989 -18.973 397 HB2 ASN 53 HB3 ASN 53 8.180 -10.558 -16.362 398 HB3 ASN 53 HB2 ASN 53 7.215 -10.968 -17.778 399 HD21 ASN 53 HD21 ASN 53 8.243 -11.903 -19.562 400 HD22 ASN 53 HD22 ASN 53 9.857 -12.508 -19.483 401 H LEU 54 H LEU 54 7.935 -8.338 -15.468 402 HA LEU 54 HA LEU 54 6.518 -7.272 -14.087 403 HB2 LEU 54 HB3 LEU 54 5.570 -5.895 -16.624 404 HB3 LEU 54 HB2 LEU 54 5.146 -5.379 -14.998 405 HG LEU 54 HG LEU 54 7.948 -5.382 -16.201 406 HD11 LEU 54 HD11 LEU 54 6.517 -3.595 -17.074 407 HD12 LEU 54 HD12 LEU 54 7.806 -2.953 -16.060 408 HD13 LEU 54 HD13 LEU 54 6.160 -3.059 -15.428 409 HD21 LEU 54 HD21 LEU 54 8.075 -5.921 -13.814 410 HD22 LEU 54 HD22 LEU 54 7.069 -4.524 -13.417 411 HD23 LEU 54 HD23 LEU 54 8.677 -4.291 -14.110 412 H VAL 55 H VAL 55 5.722 -9.822 -15.169 413 HA VAL 55 HA VAL 55 2.787 -9.804 -15.081 414 HB VAL 55 HB VAL 55 4.697 -12.183 -15.297 415 HG11 VAL 55 HG11 VAL 55 2.458 -12.866 -14.528 416 HG12 VAL 55 HG12 VAL 55 2.734 -13.427 -16.176 417 HG13 VAL 55 HG13 VAL 55 1.710 -12.019 -15.885 418 HG21 VAL 55 HG21 VAL 55 5.022 -10.644 -17.196 419 HG22 VAL 55 HG22 VAL 55 3.289 -10.666 -17.533 420 HG23 VAL 55 HG23 VAL 55 4.244 -12.137 -17.733 421 H ILE 56 H ILE 56 5.462 -10.196 -12.903 422 HA ILE 56 HA ILE 56 3.994 -11.665 -10.842 423 HB ILE 56 HB ILE 56 6.787 -10.417 -10.671 424 HG12 ILE 56 HG12 ILE 56 6.021 -13.287 -11.405 425 HG13 ILE 56 HG11 ILE 56 6.602 -12.080 -12.543 426 HG21 ILE 56 HG21 ILE 56 5.530 -12.611 -8.958 427 HG22 ILE 56 HG22 ILE 56 5.864 -10.960 -8.437 428 HG23 ILE 56 HG23 ILE 56 7.198 -12.040 -8.832 429 HD11 ILE 56 HD11 ILE 56 8.361 -13.613 -11.987 430 HD12 ILE 56 HD12 ILE 56 8.159 -13.300 -10.265 431 HD13 ILE 56 HD13 ILE 56 8.757 -12.024 -11.332 432 H ARG 57 H ARG 57 3.633 -8.563 -11.801 433 HA ARG 57 HA ARG 57 3.921 -6.942 -9.508 434 HB2 ARG 57 HB3 ARG 57 1.846 -6.622 -11.706 435 HB3 ARG 57 HB2 ARG 57 2.349 -5.374 -10.567 436 HG2 ARG 57 HG3 ARG 57 4.637 -5.437 -11.538 437 HG3 ARG 57 HG2 ARG 57 4.091 -6.651 -12.701 438 HD2 ARG 57 HD3 ARG 57 3.217 -3.752 -12.488 439 HD3 ARG 57 HD2 ARG 57 4.050 -4.537 -13.832 440 HE ARG 57 HE ARG 57 1.274 -5.234 -13.065 441 HH11 ARG 57 HH11 ARG 57 3.495 -4.308 -15.539 442 HH12 ARG 57 HH12 ARG 57 2.325 -4.500 -16.791 443 HH21 ARG 57 HH21 ARG 57 -0.188 -5.440 -14.653 444 HH22 ARG 57 HH22 ARG 57 0.260 -5.145 -16.297 445 H LYS 58 H LYS 58 1.427 -9.284 -10.285 446 HA LYS 58 HA LYS 58 -0.588 -8.573 -8.469 447 HB2 LYS 58 HB3 LYS 58 -0.633 -10.407 -10.265 448 HB3 LYS 58 HB2 LYS 58 0.232 -11.433 -9.136 449 HG2 LYS 58 HG3 LYS 58 -2.479 -10.220 -8.495 450 HG3 LYS 58 HG2 LYS 58 -2.302 -11.766 -9.324 451 HD2 LYS 58 HD3 LYS 58 -1.043 -12.644 -7.350 452 HD3 LYS 58 HD2 LYS 58 -1.300 -11.107 -6.522 453 HE2 LYS 58 HE3 LYS 58 -2.923 -12.733 -5.732 454 HE3 LYS 58 HE2 LYS 58 -3.758 -11.481 -6.654 455 HZ1 LYS 58 HZ1 LYS 58 -4.552 -13.687 -7.210 456 HZ2 LYS 58 HZ2 LYS 58 -2.999 -14.165 -7.677 457 HZ3 LYS 58 HZ3 LYS 58 -3.815 -12.969 -8.548 458 H ARG 59 H ARG 59 2.408 -10.470 -7.898 459 HA ARG 59 HA ARG 59 2.001 -10.634 -5.038 460 HB2 ARG 59 HB3 ARG 59 3.397 -12.311 -6.208 461 HB3 ARG 59 HB2 ARG 59 4.541 -11.056 -6.679 462 HG2 ARG 59 HG3 ARG 59 5.159 -10.691 -4.335 463 HG3 ARG 59 HG2 ARG 59 3.933 -11.841 -3.803 464 HD2 ARG 59 HD3 ARG 59 5.156 -13.674 -4.917 465 HD3 ARG 59 HD2 ARG 59 6.372 -12.524 -5.488 466 HE ARG 59 HE ARG 59 6.549 -12.089 -2.888 467 HH11 ARG 59 HH11 ARG 59 6.266 -15.198 -4.411 468 HH12 ARG 59 HH12 ARG 59 7.240 -15.968 -3.207 469 HH21 ARG 59 HH21 ARG 59 7.748 -13.120 -1.377 470 HH22 ARG 59 HH22 ARG 59 8.053 -14.815 -1.519 471 H LYS 60 H LYS 60 3.848 -8.508 -7.219 472 HA LYS 60 HA LYS 60 5.439 -7.357 -5.125 473 HB2 LYS 60 HB3 LYS 60 5.153 -6.435 -8.005 474 HB3 LYS 60 HB2 LYS 60 6.455 -5.998 -6.896 475 HG2 LYS 60 HG3 LYS 60 7.109 -8.404 -6.760 476 HG3 LYS 60 HG2 LYS 60 5.834 -8.799 -7.903 477 HD2 LYS 60 HD3 LYS 60 7.808 -8.752 -9.203 478 HD3 LYS 60 HD2 LYS 60 7.010 -7.217 -9.551 479 HE2 LYS 60 HE3 LYS 60 8.533 -6.020 -8.117 480 HE3 LYS 60 HE2 LYS 60 9.221 -7.525 -7.496 481 HZ1 LYS 60 HZ1 LYS 60 9.505 -6.390 -10.212 482 HZ2 LYS 60 HZ2 LYS 60 9.943 -7.981 -9.816 483 HZ3 LYS 60 HZ3 LYS 60 10.715 -6.697 -9.078 484 H VAL 61 H VAL 61 2.371 -6.278 -6.538 485 HA VAL 61 HA VAL 61 2.418 -3.639 -5.394 486 HB VAL 61 HB VAL 61 -0.021 -5.341 -6.116 487 HG11 VAL 61 HG11 VAL 61 0.113 -2.358 -5.488 488 HG12 VAL 61 HG12 VAL 61 -0.656 -3.596 -4.495 489 HG13 VAL 61 HG13 VAL 61 -1.318 -3.209 -6.083 490 HG21 VAL 61 HG21 VAL 61 -0.175 -3.957 -8.154 491 HG22 VAL 61 HG22 VAL 61 1.355 -4.832 -8.088 492 HG23 VAL 61 HG23 VAL 61 1.308 -3.114 -7.696 493 H GLY 62 H GLY 62 1.126 -6.802 -4.357 494 HA2 GLY 62 HA3 GLY 62 0.099 -6.080 -1.838 495 HA3 GLY 62 HA2 GLY 62 0.669 -7.682 -2.285 496 H VAL 63 H VAL 63 3.394 -7.060 -2.783 497 HA VAL 63 HA VAL 63 4.607 -6.862 -0.210 498 HB VAL 63 HB VAL 63 5.873 -6.452 -2.965 499 HG11 VAL 63 HG11 VAL 63 7.240 -7.021 -0.300 500 HG12 VAL 63 HG12 VAL 63 7.313 -5.507 -1.206 501 HG13 VAL 63 HG13 VAL 63 8.039 -6.968 -1.875 502 HG21 VAL 63 HG21 VAL 63 5.723 -8.979 -1.264 503 HG22 VAL 63 HG22 VAL 63 6.586 -8.818 -2.795 504 HG23 VAL 63 HG23 VAL 63 4.831 -8.676 -2.758 505 H LEU 64 H LEU 64 4.209 -4.512 -2.871 506 HA LEU 64 HA LEU 64 5.620 -2.351 -1.757 507 HB2 LEU 64 HB3 LEU 64 4.947 -2.548 -4.162 508 HB3 LEU 64 HB2 LEU 64 3.287 -2.214 -3.696 509 HG LEU 64 HG LEU 64 4.024 0.047 -2.845 510 HD11 LEU 64 HD11 LEU 64 6.688 -0.644 -4.121 511 HD12 LEU 64 HD12 LEU 64 6.379 -0.428 -2.394 512 HD13 LEU 64 HD13 LEU 64 6.214 0.937 -3.496 513 HD21 LEU 64 HD21 LEU 64 4.227 1.104 -5.038 514 HD22 LEU 64 HD22 LEU 64 3.027 -0.184 -5.084 515 HD23 LEU 64 HD23 LEU 64 4.630 -0.448 -5.775 516 H LEU 65 H LEU 65 2.269 -3.372 -1.261 517 HA LEU 65 HA LEU 65 1.242 -1.073 0.016 518 HB2 LEU 65 HB3 LEU 65 0.504 -4.009 0.354 519 HB3 LEU 65 HB2 LEU 65 -0.414 -2.692 1.072 520 HG LEU 65 HG LEU 65 -0.036 -3.132 -1.924 521 HD11 LEU 65 HD11 LEU 65 -2.411 -3.736 -1.987 522 HD12 LEU 65 HD12 LEU 65 -2.512 -3.590 -0.229 523 HD13 LEU 65 HD13 LEU 65 -1.502 -4.842 -0.956 524 HD21 LEU 65 HD21 LEU 65 -0.245 -0.752 -1.381 525 HD22 LEU 65 HD22 LEU 65 -1.728 -1.069 -0.476 526 HD23 LEU 65 HD23 LEU 65 -1.679 -1.336 -2.220 527 H ASP 66 H ASP 66 2.919 -3.931 1.319 528 HA ASP 66 HA ASP 66 2.932 -3.170 4.058 529 HB2 ASP 66 HB3 ASP 66 3.332 -5.506 3.213 530 HB3 ASP 66 HB2 ASP 66 4.905 -4.997 2.611 531 H ILE 67 H ILE 67 5.264 -2.639 1.409 532 HA ILE 67 HA ILE 67 7.372 -1.402 2.803 533 HB ILE 67 HB ILE 67 6.406 -0.982 -0.064 534 HG12 ILE 67 HG12 ILE 67 8.726 -2.667 1.004 535 HG13 ILE 67 HG11 ILE 67 7.167 -3.302 0.482 536 HG21 ILE 67 HG21 ILE 67 8.632 -0.005 -0.582 537 HG22 ILE 67 HG22 ILE 67 9.044 -0.045 1.134 538 HG23 ILE 67 HG23 ILE 67 7.729 0.986 0.566 539 HD11 ILE 67 HD11 ILE 67 9.207 -1.919 -1.268 540 HD12 ILE 67 HD12 ILE 67 7.632 -2.513 -1.806 541 HD13 ILE 67 HD13 ILE 67 8.848 -3.644 -1.216 542 H LEU 68 H LEU 68 4.652 0.150 1.075 543 HA LEU 68 HA LEU 68 5.281 2.817 1.807 544 HB2 LEU 68 HB3 LEU 68 2.658 1.650 0.824 545 HB3 LEU 68 HB2 LEU 68 3.038 3.362 0.897 546 HG LEU 68 HG LEU 68 4.353 1.301 -0.918 547 HD11 LEU 68 HD11 LEU 68 3.298 2.552 -2.753 548 HD12 LEU 68 HD12 LEU 68 2.509 3.617 -1.587 549 HD13 LEU 68 HD13 LEU 68 2.099 1.901 -1.638 550 HD21 LEU 68 HD21 LEU 68 5.598 3.166 -1.932 551 HD22 LEU 68 HD22 LEU 68 6.031 2.954 -0.239 552 HD23 LEU 68 HD23 LEU 68 4.956 4.273 -0.713 553 H GLN 69 H GLN 69 3.205 0.341 3.244 554 HA GLN 69 HA GLN 69 1.822 1.734 5.214 555 HB2 GLN 69 HB3 GLN 69 1.523 -0.652 4.673 556 HB3 GLN 69 HB2 GLN 69 3.094 -1.023 5.367 557 HG2 GLN 69 HG3 GLN 69 2.254 -0.384 7.600 558 HG3 GLN 69 HG2 GLN 69 0.678 -0.009 6.898 559 HE21 GLN 69 HE21 GLN 69 0.681 -2.305 5.062 560 HE22 GLN 69 HE22 GLN 69 0.421 -3.697 6.043 561 H ARG 70 H ARG 70 5.218 0.786 5.189 562 HA ARG 70 HA ARG 70 5.808 1.311 7.936 563 HB2 ARG 70 HB3 ARG 70 7.776 1.277 5.615 564 HB3 ARG 70 HB2 ARG 70 8.156 1.054 7.322 565 HG2 ARG 70 HG3 ARG 70 6.567 -0.840 5.560 566 HG3 ARG 70 HG2 ARG 70 8.213 -1.086 6.137 567 HD2 ARG 70 HD3 ARG 70 7.430 -1.304 8.431 568 HD3 ARG 70 HD2 ARG 70 5.786 -0.864 7.962 569 HE ARG 70 HE ARG 70 6.362 -3.083 6.451 570 HH11 ARG 70 HH11 ARG 70 6.265 -2.462 9.876 571 HH12 ARG 70 HH12 ARG 70 5.857 -4.100 10.246 572 HH21 ARG 70 HH21 ARG 70 5.812 -5.134 6.971 573 HH22 ARG 70 HH22 ARG 70 5.586 -5.585 8.627 574 H THR 71 H THR 71 5.275 3.482 5.292 575 HA THR 71 HA THR 71 6.739 5.720 6.554 576 HB THR 71 HB THR 71 6.121 7.086 4.652 577 HG1 THR 71 HG1 THR 71 4.630 5.122 3.353 578 HG21 THR 71 HG21 THR 71 6.967 5.802 2.726 579 HG22 THR 71 HG22 THR 71 6.748 4.296 3.621 580 HG23 THR 71 HG23 THR 71 7.932 5.486 4.168 581 H GLY 72 H GLY 72 3.915 4.181 7.219 582 HA2 GLY 72 HA3 GLY 72 2.230 4.795 8.705 583 HA3 GLY 72 HA2 GLY 72 2.701 6.482 8.552 584 H HIS 73 H HIS 73 1.283 7.744 7.481 585 HA HIS 73 HA HIS 73 -0.818 6.529 5.796 586 HB2 HIS 73 HB2 HIS 73 -1.449 8.007 7.749 587 HB3 HIS 73 HB1 HIS 73 -0.686 9.364 6.926 588 HD2 HIS 73 HD2 HIS 73 -2.157 10.493 4.850 589 HE1 HIS 73 HE1 HIS 73 -5.596 8.116 5.411 590 HE2 HIS 73 HE2 HIS 73 -4.574 10.009 4.102 591 H LYS 74 H LYS 74 2.097 8.363 5.525 592 HA LYS 74 HA LYS 74 1.844 9.988 3.300 593 HB2 LYS 74 HB3 LYS 74 4.174 8.180 4.046 594 HB3 LYS 74 HB2 LYS 74 4.271 9.422 2.806 595 HG2 LYS 74 HG3 LYS 74 3.884 11.165 4.489 596 HG3 LYS 74 HG2 LYS 74 3.718 9.932 5.747 597 HD2 LYS 74 HD3 LYS 74 5.992 10.972 5.727 598 HD3 LYS 74 HD2 LYS 74 6.037 9.231 5.442 599 HE2 LYS 74 HE3 LYS 74 6.273 9.648 2.999 600 HE3 LYS 74 HE2 LYS 74 6.257 11.385 3.305 601 HZ1 LYS 74 HZ1 LYS 74 8.281 11.177 4.539 602 HZ2 LYS 74 HZ2 LYS 74 8.490 10.468 3.020 603 HZ3 LYS 74 HZ3 LYS 74 8.271 9.495 4.383 604 H GLY 75 H GLY 75 2.682 6.521 3.280 605 HA2 GLY 75 HA3 GLY 75 2.848 6.129 0.493 606 HA3 GLY 75 HA2 GLY 75 2.576 4.879 1.695 607 H TYR 76 H TYR 76 0.068 6.027 2.676 608 HA TYR 76 HA TYR 76 -1.791 4.869 0.838 609 HB2 TYR 76 HB2 TYR 76 -2.092 4.823 3.311 610 HB3 TYR 76 HB1 TYR 76 -2.334 6.566 3.313 611 HD1 TYR 76 HD1 TYR 76 -4.559 7.380 3.193 612 HD2 TYR 76 HD2 TYR 76 -3.759 3.435 1.767 613 HE1 TYR 76 HE1 TYR 76 -6.962 7.020 2.853 614 HE2 TYR 76 HE2 TYR 76 -6.166 3.078 1.425 615 HH TYR 76 HH TYR 76 -8.448 5.596 1.512 616 H VAL 77 H VAL 77 -0.926 8.224 1.674 617 HA VAL 77 HA VAL 77 -2.773 9.599 0.040 618 HB VAL 77 HB VAL 77 0.097 10.440 0.694 619 HG11 VAL 77 HG11 VAL 77 -2.274 12.135 -0.192 620 HG12 VAL 77 HG12 VAL 77 -0.846 11.759 -1.159 621 HG13 VAL 77 HG13 VAL 77 -0.690 12.756 0.285 622 HG21 VAL 77 HG21 VAL 77 -1.175 10.004 2.757 623 HG22 VAL 77 HG22 VAL 77 -2.465 11.074 2.212 624 HG23 VAL 77 HG23 VAL 77 -0.867 11.732 2.573 625 H ALA 78 H ALA 78 0.617 8.676 -0.636 626 HA ALA 78 HA ALA 78 0.820 9.349 -3.341 627 HB1 ALA 78 HB1 ALA 78 2.210 7.081 -1.872 628 HB2 ALA 78 HB2 ALA 78 2.739 8.763 -1.908 629 HB3 ALA 78 HB3 ALA 78 2.741 7.809 -3.391 630 H PHE 79 H PHE 79 -0.371 6.403 -1.826 631 HA PHE 79 HA PHE 79 -0.778 4.745 -4.051 632 HB2 PHE 79 HB2 PHE 79 -0.882 3.994 -1.683 633 HB3 PHE 79 HB1 PHE 79 -2.363 4.911 -1.449 634 HD1 PHE 79 HD1 PHE 79 -4.479 3.919 -1.945 635 HD2 PHE 79 HD2 PHE 79 -0.889 2.063 -3.350 636 HE1 PHE 79 HE1 PHE 79 -5.763 1.939 -2.640 637 HE2 PHE 79 HE2 PHE 79 -2.183 0.098 -4.033 638 HZ PHE 79 HZ PHE 79 -4.617 0.031 -3.684 639 H LEU 80 H LEU 80 -3.195 6.836 -2.364 640 HA LEU 80 HA LEU 80 -5.307 6.466 -4.205 641 HB2 LEU 80 HB3 LEU 80 -4.791 8.778 -2.305 642 HB3 LEU 80 HB2 LEU 80 -6.304 8.524 -3.164 643 HG LEU 80 HG LEU 80 -5.131 6.671 -1.044 644 HD11 LEU 80 HD11 LEU 80 -7.547 8.508 -0.940 645 HD12 LEU 80 HD12 LEU 80 -6.015 8.744 -0.095 646 HD13 LEU 80 HD13 LEU 80 -7.048 7.382 0.327 647 HD21 LEU 80 HD21 LEU 80 -7.747 6.415 -2.582 648 HD22 LEU 80 HD22 LEU 80 -7.254 5.411 -1.215 649 HD23 LEU 80 HD23 LEU 80 -6.342 5.351 -2.720 650 H GLU 81 H GLU 81 -2.747 8.915 -4.131 651 HA GLU 81 HA GLU 81 -3.687 10.619 -6.192 652 HB2 GLU 81 HB3 GLU 81 -0.842 10.058 -5.262 653 HB3 GLU 81 HB2 GLU 81 -1.298 11.375 -6.335 654 HG2 GLU 81 HG3 GLU 81 -2.644 12.386 -4.549 655 HG3 GLU 81 HG2 GLU 81 -2.231 11.055 -3.470 656 H SER 82 H SER 82 -1.334 7.897 -6.287 657 HA SER 82 HA SER 82 -0.845 7.967 -9.086 658 HB2 SER 82 HB3 SER 82 0.204 5.763 -8.800 659 HB3 SER 82 HB2 SER 82 0.668 6.831 -7.477 660 HG SER 82 HG SER 82 -0.593 5.718 -6.106 661 H LEU 83 H LEU 83 -3.337 6.314 -7.177 662 HA LEU 83 HA LEU 83 -4.535 4.819 -9.261 663 HB2 LEU 83 HB3 LEU 83 -5.818 6.111 -6.832 664 HB3 LEU 83 HB2 LEU 83 -6.634 4.970 -7.891 665 HG LEU 83 HG LEU 83 -4.208 4.345 -6.168 666 HD11 LEU 83 HD11 LEU 83 -7.118 3.583 -5.829 667 HD12 LEU 83 HD12 LEU 83 -6.181 4.676 -4.804 668 HD13 LEU 83 HD13 LEU 83 -5.779 2.962 -4.863 669 HD21 LEU 83 HD21 LEU 83 -5.854 2.497 -7.927 670 HD22 LEU 83 HD22 LEU 83 -4.579 1.998 -6.812 671 HD23 LEU 83 HD23 LEU 83 -4.183 2.995 -8.208 672 H GLU 84 H GLU 84 -5.597 8.009 -7.943 673 HA GLU 84 HA GLU 84 -7.547 8.603 -9.839 674 HB2 GLU 84 HB3 GLU 84 -7.211 9.811 -7.676 675 HB3 GLU 84 HB2 GLU 84 -5.786 10.590 -8.343 676 HG2 GLU 84 HG3 GLU 84 -7.482 12.214 -8.478 677 HG3 GLU 84 HG2 GLU 84 -7.322 11.604 -10.121 678 H LEU 85 H LEU 85 -4.055 9.128 -10.065 679 HA LEU 85 HA LEU 85 -4.128 10.775 -12.443 680 HB2 LEU 85 HB3 LEU 85 -2.347 10.702 -10.529 681 HB3 LEU 85 HB2 LEU 85 -1.682 9.319 -11.371 682 HG LEU 85 HG LEU 85 -1.929 12.115 -12.586 683 HD11 LEU 85 HD11 LEU 85 -0.395 12.167 -10.678 684 HD12 LEU 85 HD12 LEU 85 0.488 12.360 -12.190 685 HD13 LEU 85 HD13 LEU 85 0.519 10.809 -11.344 686 HD21 LEU 85 HD21 LEU 85 -0.364 9.698 -13.579 687 HD22 LEU 85 HD22 LEU 85 -0.317 11.314 -14.289 688 HD23 LEU 85 HD23 LEU 85 -1.810 10.383 -14.324 689 H TYR 86 H TYR 86 -3.110 7.368 -11.797 690 HA TYR 86 HA TYR 86 -2.677 6.933 -14.680 691 HB2 TYR 86 HB2 TYR 86 -1.950 5.194 -12.282 692 HB3 TYR 86 HB1 TYR 86 -1.566 4.804 -13.957 693 HD1 TYR 86 HD1 TYR 86 -0.816 7.171 -11.175 694 HD2 TYR 86 HD2 TYR 86 0.333 5.887 -15.083 695 HE1 TYR 86 HE1 TYR 86 1.260 8.458 -10.979 696 HE2 TYR 86 HE2 TYR 86 2.419 7.177 -14.881 697 HH TYR 86 HH TYR 86 3.599 8.364 -12.027 698 H TYR 87 H TYR 87 -4.583 5.476 -12.027 699 HA TYR 87 HA TYR 87 -6.296 4.082 -14.032 700 HB2 TYR 87 HB2 TYR 87 -5.611 3.215 -11.187 701 HB3 TYR 87 HB1 TYR 87 -6.756 2.391 -12.237 702 HD1 TYR 87 HD1 TYR 87 -3.262 2.703 -11.328 703 HD2 TYR 87 HD2 TYR 87 -5.905 1.352 -14.406 704 HE1 TYR 87 HE1 TYR 87 -1.460 1.315 -12.277 705 HE2 TYR 87 HE2 TYR 87 -4.110 -0.029 -15.337 706 HH TYR 87 HH TYR 87 -1.394 -0.863 -13.742 707 HA PRO 88 HA PRO 88 -8.780 7.386 -11.712 708 HB2 PRO 88 HB3 PRO 88 -10.437 8.046 -13.856 709 HB3 PRO 88 HB2 PRO 88 -8.886 8.822 -13.509 710 HG2 PRO 88 HG3 PRO 88 -9.494 6.586 -15.442 711 HG3 PRO 88 HG2 PRO 88 -8.485 8.031 -15.682 712 HD2 PRO 88 HD3 PRO 88 -7.371 5.644 -15.153 713 HD3 PRO 88 HD2 PRO 88 -6.688 7.132 -14.464 714 H GLN 89 H GLN 89 -10.085 4.813 -13.871 715 HA GLN 89 HA GLN 89 -12.665 4.601 -12.682 716 HB2 GLN 89 HB3 GLN 89 -12.266 3.613 -14.869 717 HB3 GLN 89 HB2 GLN 89 -11.005 2.565 -14.230 718 HG2 GLN 89 HG3 GLN 89 -12.729 1.367 -12.879 719 HG3 GLN 89 HG2 GLN 89 -13.973 2.387 -13.596 720 HE21 GLN 89 HE21 GLN 89 -15.001 0.502 -14.387 721 HE22 GLN 89 HE22 GLN 89 -14.392 -0.358 -15.752 722 H LEU 90 H LEU 90 -9.652 2.736 -12.097 723 HA LEU 90 HA LEU 90 -10.640 0.981 -10.129 724 HB2 LEU 90 HB3 LEU 90 -8.511 0.589 -11.279 725 HB3 LEU 90 HB2 LEU 90 -7.818 2.021 -10.533 726 HG LEU 90 HG LEU 90 -8.105 0.897 -8.270 727 HD11 LEU 90 HD11 LEU 90 -9.854 -0.723 -8.835 728 HD12 LEU 90 HD12 LEU 90 -8.438 -1.523 -8.162 729 HD13 LEU 90 HD13 LEU 90 -8.736 -1.586 -9.900 730 HD21 LEU 90 HD21 LEU 90 -6.145 -0.548 -8.493 731 HD22 LEU 90 HD22 LEU 90 -5.935 0.957 -9.382 732 HD23 LEU 90 HD23 LEU 90 -6.315 -0.531 -10.248 733 H TYR 91 H TYR 91 -9.118 4.192 -9.819 734 HA TYR 91 HA TYR 91 -8.901 4.501 -7.086 735 HB2 TYR 91 HB2 TYR 91 -8.126 6.243 -8.623 736 HB3 TYR 91 HB1 TYR 91 -9.777 6.587 -9.136 737 HD1 TYR 91 HD1 TYR 91 -7.515 6.686 -6.145 738 HD2 TYR 91 HD2 TYR 91 -11.095 8.204 -7.923 739 HE1 TYR 91 HE1 TYR 91 -7.757 8.291 -4.305 740 HE2 TYR 91 HE2 TYR 91 -11.321 9.816 -6.085 741 HH TYR 91 HH TYR 91 -8.858 10.516 -3.934 742 H LYS 92 H LYS 92 -11.808 5.006 -9.086 743 HA LYS 92 HA LYS 92 -13.545 5.935 -7.053 744 HB2 LYS 92 HB3 LYS 92 -14.339 4.450 -9.590 745 HB3 LYS 92 HB2 LYS 92 -15.371 5.506 -8.626 746 HG2 LYS 92 HG3 LYS 92 -12.951 6.333 -10.261 747 HG3 LYS 92 HG2 LYS 92 -14.643 6.644 -10.655 748 HD2 LYS 92 HD3 LYS 92 -14.829 8.090 -8.633 749 HD3 LYS 92 HD2 LYS 92 -13.129 7.782 -8.262 750 HE2 LYS 92 HE3 LYS 92 -14.140 9.155 -10.784 751 HE3 LYS 92 HE2 LYS 92 -13.477 9.979 -9.372 752 HZ1 LYS 92 HZ1 LYS 92 -11.855 9.694 -11.164 753 HZ2 LYS 92 HZ2 LYS 92 -11.989 8.014 -11.031 754 HZ3 LYS 92 HZ3 LYS 92 -11.367 8.922 -9.744 755 H LYS 93 H LYS 93 -12.808 2.647 -8.197 756 HA LYS 93 HA LYS 93 -14.704 1.213 -6.628 757 HB2 LYS 93 HB3 LYS 93 -12.030 0.350 -7.812 758 HB3 LYS 93 HB2 LYS 93 -13.142 -0.766 -7.023 759 HG2 LYS 93 HG3 LYS 93 -13.773 0.874 -9.503 760 HG3 LYS 93 HG2 LYS 93 -13.314 -0.835 -9.493 761 HD2 LYS 93 HD3 LYS 93 -15.342 -1.369 -8.169 762 HD3 LYS 93 HD2 LYS 93 -15.799 0.337 -8.168 763 HE2 LYS 93 HE3 LYS 93 -16.017 0.267 -10.635 764 HE3 LYS 93 HE2 LYS 93 -15.574 -1.443 -10.621 765 HZ1 LYS 93 HZ1 LYS 93 -17.535 -1.902 -9.297 766 HZ2 LYS 93 HZ2 LYS 93 -17.958 -1.139 -10.746 767 HZ3 LYS 93 HZ3 LYS 93 -17.955 -0.264 -9.301 768 H VAL 94 H VAL 94 -11.352 2.219 -5.973 769 HA VAL 94 HA VAL 94 -11.043 0.856 -3.476 770 HB VAL 94 HB VAL 94 -9.542 3.349 -4.414 771 HG11 VAL 94 HG11 VAL 94 -9.150 2.840 -2.028 772 HG12 VAL 94 HG12 VAL 94 -7.693 2.536 -2.975 773 HG13 VAL 94 HG13 VAL 94 -8.696 1.184 -2.440 774 HG21 VAL 94 HG21 VAL 94 -8.908 0.426 -4.957 775 HG22 VAL 94 HG22 VAL 94 -7.871 1.789 -5.376 776 HG23 VAL 94 HG23 VAL 94 -9.445 1.614 -6.142 777 H THR 95 H THR 95 -11.879 4.244 -4.247 778 HA THR 95 HA THR 95 -12.120 5.030 -1.464 779 HB THR 95 HB THR 95 -11.233 6.632 -3.148 780 HG1 THR 95 HG1 THR 95 -12.636 7.192 -1.154 781 HG21 THR 95 HG21 THR 95 -14.084 6.763 -4.205 782 HG22 THR 95 HG22 THR 95 -12.709 6.071 -5.066 783 HG23 THR 95 HG23 THR 95 -12.741 7.797 -4.705 784 H GLY 96 H GLY 96 -14.270 3.657 -3.766 785 HA2 GLY 96 HA3 GLY 96 -16.290 2.664 -2.905 786 HA3 GLY 96 HA2 GLY 96 -16.546 4.074 -1.896 787 H LYS 97 H LYS 97 -15.757 5.716 -4.447 788 HA LYS 97 HA LYS 97 -18.365 6.438 -5.261 789 HB2 LYS 97 HB3 LYS 97 -15.744 6.935 -6.739 790 HB3 LYS 97 HB2 LYS 97 -17.262 7.778 -7.040 791 HG2 LYS 97 HG3 LYS 97 -17.170 8.731 -4.748 792 HG3 LYS 97 HG2 LYS 97 -15.626 7.909 -4.486 793 HD2 LYS 97 HD3 LYS 97 -14.685 9.194 -6.453 794 HD3 LYS 97 HD2 LYS 97 -16.207 10.087 -6.538 795 HE2 LYS 97 HE3 LYS 97 -14.260 10.071 -4.203 796 HE3 LYS 97 HE2 LYS 97 -14.502 11.387 -5.351 797 HZ1 LYS 97 HZ1 LYS 97 -16.788 11.584 -4.544 798 HZ2 LYS 97 HZ2 LYS 97 -15.662 11.829 -3.311 799 HZ3 LYS 97 HZ3 LYS 97 -16.503 10.365 -3.406 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 0.782 6.258 24.382 2 H2 MET 1 HT2 MET 1 0.515 7.266 25.710 3 H3 MET 1 HT3 MET 1 2.093 6.971 25.176 4 HA MET 1 HA MET 1 -0.022 8.421 23.702 5 HB2 MET 1 HB2 MET 1 2.599 9.466 24.866 6 HB3 MET 1 HB1 MET 1 1.390 10.416 24.006 7 HG2 MET 1 HG2 MET 1 1.048 9.083 26.699 8 HG3 MET 1 HG1 MET 1 1.198 10.814 26.378 9 HE1 MET 1 HE1 MET 1 -1.062 11.096 27.908 10 HE2 MET 1 HE2 MET 1 -1.171 9.343 28.082 11 HE3 MET 1 HE3 MET 1 -2.571 10.264 27.533 12 H SER 2 H SER 2 0.146 7.350 21.747 13 HA SER 2 HA SER 2 0.853 6.885 19.641 14 HB2 SER 2 HB3 SER 2 2.988 8.998 20.173 15 HB3 SER 2 HB2 SER 2 2.504 8.402 18.582 16 HG SER 2 HG SER 2 0.277 9.157 19.656 17 H ASP 3 H ASP 3 1.938 5.237 21.773 18 HA ASP 3 HA ASP 3 4.718 4.755 21.634 19 HB2 ASP 3 HB3 ASP 3 2.494 2.845 22.471 20 HB3 ASP 3 HB2 ASP 3 4.207 2.623 22.817 21 H TYR 4 H TYR 4 2.112 2.667 20.326 22 HA TYR 4 HA TYR 4 3.996 1.522 18.320 23 HB2 TYR 4 HB2 TYR 4 1.437 0.210 19.357 24 HB3 TYR 4 HB1 TYR 4 2.744 -0.550 18.455 25 HD1 TYR 4 HD1 TYR 4 4.999 -0.912 19.623 26 HD2 TYR 4 HD2 TYR 4 1.504 0.319 21.750 27 HE1 TYR 4 HE1 TYR 4 6.046 -1.590 21.738 28 HE2 TYR 4 HE2 TYR 4 2.547 -0.364 23.861 29 HH TYR 4 HH TYR 4 4.304 -1.910 24.627 30 H GLU 5 H GLU 5 2.477 3.993 18.027 31 HA GLU 5 HA GLU 5 0.018 3.659 16.658 32 HB2 GLU 5 HB3 GLU 5 0.644 5.717 17.880 33 HB3 GLU 5 HB2 GLU 5 1.892 6.053 16.687 34 HG2 GLU 5 HG3 GLU 5 -0.071 7.450 16.307 35 HG3 GLU 5 HG2 GLU 5 0.181 6.354 14.952 36 H ASN 6 H ASN 6 0.290 2.204 14.960 37 HA ASN 6 HA ASN 6 1.558 3.311 12.504 38 HB2 ASN 6 HB3 ASN 6 2.546 1.111 13.265 39 HB3 ASN 6 HB2 ASN 6 0.959 0.372 13.096 40 HD21 ASN 6 HD21 ASN 6 3.647 1.799 11.368 41 HD22 ASN 6 HD22 ASN 6 3.250 1.153 9.815 42 H ASP 7 H ASP 7 0.213 3.521 10.715 43 HA ASP 7 HA ASP 7 -2.642 3.431 11.201 44 HB2 ASP 7 HB3 ASP 7 -1.526 5.352 10.051 45 HB3 ASP 7 HB2 ASP 7 -1.141 4.295 8.700 46 H ASP 8 H ASP 8 -2.940 1.128 11.399 47 HA ASP 8 HA ASP 8 -2.853 -0.533 9.018 48 HB2 ASP 8 HB3 ASP 8 -2.650 -1.521 11.288 49 HB3 ASP 8 HB2 ASP 8 -4.247 -0.917 11.711 50 H GLU 9 H GLU 9 -4.976 1.728 10.471 51 HA GLU 9 HA GLU 9 -7.560 1.197 9.895 52 HB2 GLU 9 HB3 GLU 9 -6.943 3.151 11.117 53 HB3 GLU 9 HB2 GLU 9 -5.956 3.778 9.816 54 HG2 GLU 9 HG3 GLU 9 -8.921 3.559 9.399 55 HG3 GLU 9 HG2 GLU 9 -8.307 4.857 10.424 56 H CYS 10 H CYS 10 -5.212 2.402 7.527 57 HA CYS 10 HA CYS 10 -7.170 2.558 5.373 58 HB2 CYS 10 HB3 CYS 10 -4.172 2.977 5.381 59 HB3 CYS 10 HB2 CYS 10 -5.257 3.320 4.027 60 H TRP 11 H TRP 11 -4.235 0.617 6.068 61 HA TRP 11 HA TRP 11 -4.262 -0.652 3.487 62 HB2 TRP 11 HB2 TRP 11 -2.536 -1.280 5.919 63 HB3 TRP 11 HB1 TRP 11 -2.214 -1.780 4.257 64 HD1 TRP 11 HD1 TRP 11 -1.925 1.227 6.569 65 HE1 TRP 11 HE1 TRP 11 -0.714 3.136 5.365 66 HE3 TRP 11 HE3 TRP 11 -1.745 -0.767 1.863 67 HZ2 TRP 11 HZ2 TRP 11 0.173 3.738 2.784 68 HZ3 TRP 11 HZ3 TRP 11 -0.695 0.565 0.073 69 HH2 TRP 11 HH2 TRP 11 0.244 2.770 0.530 70 H SER 12 H SER 12 -5.735 -1.515 6.494 71 HA SER 12 HA SER 12 -6.113 -4.327 5.872 72 HB2 SER 12 HB3 SER 12 -7.770 -4.254 7.769 73 HB3 SER 12 HB2 SER 12 -6.168 -3.660 8.207 74 HG SER 12 HG SER 12 -7.015 -1.822 8.673 75 H VAL 13 H VAL 13 -7.958 -1.332 5.418 76 HA VAL 13 HA VAL 13 -10.287 -2.531 4.231 77 HB VAL 13 HB VAL 13 -9.207 0.311 3.910 78 HG11 VAL 13 HG11 VAL 13 -11.998 -0.762 3.307 79 HG12 VAL 13 HG12 VAL 13 -10.817 -0.219 2.114 80 HG13 VAL 13 HG13 VAL 13 -11.520 0.936 3.246 81 HG21 VAL 13 HG21 VAL 13 -9.646 -0.243 6.275 82 HG22 VAL 13 HG22 VAL 13 -11.287 -0.749 5.865 83 HG23 VAL 13 HG23 VAL 13 -10.813 0.940 5.679 84 H LEU 14 H LEU 14 -7.290 -1.107 2.944 85 HA LEU 14 HA LEU 14 -7.728 -1.583 0.191 86 HB2 LEU 14 HB3 LEU 14 -5.097 -1.477 1.715 87 HB3 LEU 14 HB2 LEU 14 -5.257 -1.380 -0.034 88 HG LEU 14 HG LEU 14 -6.256 0.667 1.983 89 HD11 LEU 14 HD11 LEU 14 -4.602 2.159 0.969 90 HD12 LEU 14 HD12 LEU 14 -4.028 0.845 -0.059 91 HD13 LEU 14 HD13 LEU 14 -3.854 0.741 1.695 92 HD21 LEU 14 HD21 LEU 14 -6.915 2.055 0.053 93 HD22 LEU 14 HD22 LEU 14 -7.838 0.557 0.126 94 HD23 LEU 14 HD23 LEU 14 -6.525 0.725 -1.043 95 H GLU 15 H GLU 15 -6.433 -3.652 2.769 96 HA GLU 15 HA GLU 15 -5.628 -5.873 1.228 97 HB2 GLU 15 HB3 GLU 15 -5.096 -5.569 3.635 98 HB3 GLU 15 HB2 GLU 15 -6.783 -5.856 4.046 99 HG2 GLU 15 HG3 GLU 15 -6.596 -8.162 3.154 100 HG3 GLU 15 HG2 GLU 15 -4.904 -7.861 2.753 101 H GLY 16 H GLY 16 -8.829 -4.964 2.505 102 HA2 GLY 16 HA3 GLY 16 -10.361 -7.168 1.627 103 HA3 GLY 16 HA2 GLY 16 -10.949 -5.527 1.846 104 H PHE 17 H PHE 17 -8.914 -4.548 -0.208 105 HA PHE 17 HA PHE 17 -10.252 -5.464 -2.710 106 HB2 PHE 17 HB2 PHE 17 -8.850 -2.803 -2.134 107 HB3 PHE 17 HB1 PHE 17 -9.582 -3.255 -3.669 108 HD1 PHE 17 HD1 PHE 17 -12.137 -3.836 -3.623 109 HD2 PHE 17 HD2 PHE 17 -10.146 -1.608 -0.557 110 HE1 PHE 17 HE1 PHE 17 -14.290 -2.890 -2.903 111 HE2 PHE 17 HE2 PHE 17 -12.305 -0.671 0.155 112 HZ PHE 17 HZ PHE 17 -14.376 -1.312 -1.013 113 H ARG 18 H ARG 18 -7.671 -6.435 -1.142 114 HA ARG 18 HA ARG 18 -5.354 -5.443 -2.391 115 HB2 ARG 18 HB3 ARG 18 -5.503 -6.764 -0.227 116 HB3 ARG 18 HB2 ARG 18 -5.631 -8.225 -1.195 117 HG2 ARG 18 HG3 ARG 18 -3.386 -7.730 -2.177 118 HG3 ARG 18 HG2 ARG 18 -3.266 -6.311 -1.127 119 HD2 ARG 18 HD3 ARG 18 -3.489 -7.819 0.859 120 HD3 ARG 18 HD2 ARG 18 -3.499 -9.208 -0.230 121 HE ARG 18 HE ARG 18 -1.230 -7.549 0.514 122 HH11 ARG 18 HH11 ARG 18 -2.335 -9.974 -1.699 123 HH12 ARG 18 HH12 ARG 18 -0.753 -10.629 -1.922 124 HH21 ARG 18 HH21 ARG 18 0.769 -8.396 0.209 125 HH22 ARG 18 HH22 ARG 18 0.981 -9.742 -0.854 126 H VAL 19 H VAL 19 -7.236 -8.375 -3.176 127 HA VAL 19 HA VAL 19 -5.572 -9.417 -5.213 128 HB VAL 19 HB VAL 19 -8.599 -9.701 -4.943 129 HG11 VAL 19 HG11 VAL 19 -6.623 -11.462 -6.454 130 HG12 VAL 19 HG12 VAL 19 -7.839 -10.407 -7.178 131 HG13 VAL 19 HG13 VAL 19 -8.340 -11.807 -6.231 132 HG21 VAL 19 HG21 VAL 19 -6.385 -11.463 -3.809 133 HG22 VAL 19 HG22 VAL 19 -8.116 -11.802 -3.717 134 HG23 VAL 19 HG23 VAL 19 -7.449 -10.400 -2.880 135 H THR 20 H THR 20 -8.235 -7.063 -5.357 136 HA THR 20 HA THR 20 -8.307 -6.708 -8.193 137 HB THR 20 HB THR 20 -9.177 -4.736 -6.028 138 HG1 THR 20 HG1 THR 20 -10.265 -7.115 -6.927 139 HG21 THR 20 HG21 THR 20 -9.046 -3.672 -8.260 140 HG22 THR 20 HG22 THR 20 -10.724 -3.848 -7.747 141 HG23 THR 20 HG23 THR 20 -10.048 -4.958 -8.940 142 H LEU 21 H LEU 21 -6.759 -4.797 -5.585 143 HA LEU 21 HA LEU 21 -5.569 -2.756 -7.083 144 HB2 LEU 21 HB3 LEU 21 -4.651 -4.046 -4.481 145 HB3 LEU 21 HB2 LEU 21 -3.964 -2.562 -5.128 146 HG LEU 21 HG LEU 21 -6.865 -2.912 -4.267 147 HD11 LEU 21 HD11 LEU 21 -5.368 -2.973 -2.335 148 HD12 LEU 21 HD12 LEU 21 -6.300 -1.478 -2.358 149 HD13 LEU 21 HD13 LEU 21 -4.603 -1.465 -2.851 150 HD21 LEU 21 HD21 LEU 21 -6.656 -1.271 -6.070 151 HD22 LEU 21 HD22 LEU 21 -5.380 -0.425 -5.193 152 HD23 LEU 21 HD23 LEU 21 -7.023 -0.461 -4.548 153 H THR 22 H THR 22 -4.254 -5.906 -6.118 154 HA THR 22 HA THR 22 -1.648 -5.469 -7.206 155 HB THR 22 HB THR 22 -1.278 -7.896 -6.695 156 HG1 THR 22 HG1 THR 22 -3.556 -8.316 -5.293 157 HG21 THR 22 HG21 THR 22 -0.888 -6.235 -4.919 158 HG22 THR 22 HG22 THR 22 -1.536 -7.729 -4.242 159 HG23 THR 22 HG23 THR 22 -2.587 -6.325 -4.440 160 H SER 23 H SER 23 -4.620 -6.699 -8.573 161 HA SER 23 HA SER 23 -3.271 -7.890 -10.906 162 HB2 SER 23 HB3 SER 23 -5.506 -8.674 -11.582 163 HB3 SER 23 HB2 SER 23 -5.183 -9.110 -9.904 164 HG SER 23 HG SER 23 -6.860 -7.999 -9.350 165 H VAL 24 H VAL 24 -5.008 -4.927 -10.089 166 HA VAL 24 HA VAL 24 -5.283 -4.146 -12.923 167 HB VAL 24 HB VAL 24 -6.205 -2.677 -10.410 168 HG11 VAL 24 HG11 VAL 24 -6.728 -1.992 -13.336 169 HG12 VAL 24 HG12 VAL 24 -5.753 -1.048 -12.208 170 HG13 VAL 24 HG13 VAL 24 -7.492 -1.201 -11.954 171 HG21 VAL 24 HG21 VAL 24 -8.485 -3.346 -11.107 172 HG22 VAL 24 HG22 VAL 24 -7.469 -4.759 -10.815 173 HG23 VAL 24 HG23 VAL 24 -7.811 -4.245 -12.469 174 H ILE 25 H ILE 25 -3.638 -2.949 -9.971 175 HA ILE 25 HA ILE 25 -2.288 -0.766 -11.255 176 HB ILE 25 HB ILE 25 -1.645 -2.138 -8.602 177 HG12 ILE 25 HG12 ILE 25 -3.160 0.457 -9.095 178 HG13 ILE 25 HG11 ILE 25 -3.923 -1.087 -8.729 179 HG21 ILE 25 HG21 ILE 25 0.345 -0.920 -9.400 180 HG22 ILE 25 HG22 ILE 25 -0.352 -0.097 -8.004 181 HG23 ILE 25 HG23 ILE 25 -0.616 0.543 -9.628 182 HD11 ILE 25 HD11 ILE 25 -3.832 0.313 -6.773 183 HD12 ILE 25 HD12 ILE 25 -2.082 0.465 -6.915 184 HD13 ILE 25 HD13 ILE 25 -2.806 -1.103 -6.542 185 H ASP 26 H ASP 26 -0.484 -0.854 -12.512 186 HA ASP 26 HA ASP 26 1.440 -3.063 -12.205 187 HB2 ASP 26 HB3 ASP 26 0.800 -2.316 -14.508 188 HB3 ASP 26 HB2 ASP 26 1.463 -0.722 -14.164 189 HA PRO 27 HA PRO 27 3.296 -0.316 -9.137 190 HB2 PRO 27 HB3 PRO 27 5.243 -1.947 -8.195 191 HB3 PRO 27 HB2 PRO 27 3.532 -2.289 -7.909 192 HG2 PRO 27 HG3 PRO 27 5.378 -3.477 -9.980 193 HG3 PRO 27 HG2 PRO 27 4.200 -4.299 -8.933 194 HD2 PRO 27 HD3 PRO 27 3.686 -3.624 -11.555 195 HD3 PRO 27 HD2 PRO 27 2.418 -3.780 -10.321 196 H SER 28 H SER 28 5.216 -1.735 -11.750 197 HA SER 28 HA SER 28 7.564 -0.099 -11.377 198 HB2 SER 28 HB3 SER 28 8.376 -1.103 -13.451 199 HB3 SER 28 HB2 SER 28 7.661 -2.360 -12.449 200 HG SER 28 HG SER 28 5.750 -2.139 -13.773 201 H ARG 29 H ARG 29 4.537 0.241 -12.998 202 HA ARG 29 HA ARG 29 5.098 2.266 -14.888 203 HB2 ARG 29 HB3 ARG 29 2.892 0.782 -14.342 204 HB3 ARG 29 HB2 ARG 29 2.418 2.232 -13.474 205 HG2 ARG 29 HG3 ARG 29 1.477 2.231 -15.718 206 HG3 ARG 29 HG2 ARG 29 2.657 3.541 -15.572 207 HD2 ARG 29 HD3 ARG 29 2.816 2.218 -17.729 208 HD3 ARG 29 HD2 ARG 29 4.313 2.300 -16.793 209 HE ARG 29 HE ARG 29 3.219 -0.020 -15.932 210 HH11 ARG 29 HH11 ARG 29 3.775 1.063 -19.149 211 HH12 ARG 29 HH12 ARG 29 4.141 -0.523 -19.719 212 HH21 ARG 29 HH21 ARG 29 3.723 -2.012 -16.657 213 HH22 ARG 29 HH22 ARG 29 4.105 -2.244 -18.327 214 H ILE 30 H ILE 30 4.162 2.373 -11.472 215 HA ILE 30 HA ILE 30 3.992 5.302 -11.484 216 HB ILE 30 HB ILE 30 2.909 5.126 -9.304 217 HG12 ILE 30 HG12 ILE 30 3.290 2.093 -9.456 218 HG13 ILE 30 HG11 ILE 30 4.219 3.161 -8.409 219 HG21 ILE 30 HG21 ILE 30 1.740 3.110 -11.261 220 HG22 ILE 30 HG22 ILE 30 1.500 4.858 -11.293 221 HG23 ILE 30 HG23 ILE 30 0.862 3.912 -9.951 222 HD11 ILE 30 HD11 ILE 30 2.509 2.094 -7.131 223 HD12 ILE 30 HD12 ILE 30 1.262 2.606 -8.265 224 HD13 ILE 30 HD13 ILE 30 2.105 3.812 -7.278 225 H THR 31 H THR 31 6.562 3.287 -11.097 226 HA THR 31 HA THR 31 7.742 3.972 -8.642 227 HB THR 31 HB THR 31 10.003 3.456 -9.705 228 HG1 THR 31 HG1 THR 31 8.728 2.402 -11.946 229 HG21 THR 31 HG21 THR 31 8.706 1.694 -8.573 230 HG22 THR 31 HG22 THR 31 9.572 1.050 -9.969 231 HG23 THR 31 HG23 THR 31 7.841 1.360 -10.080 232 HA PRO 32 HA PRO 32 9.894 7.901 -10.828 233 HB2 PRO 32 HB3 PRO 32 8.204 9.165 -12.664 234 HB3 PRO 32 HB2 PRO 32 9.560 8.121 -13.109 235 HG2 PRO 32 HG3 PRO 32 6.639 7.421 -12.854 236 HG3 PRO 32 HG2 PRO 32 7.780 6.994 -14.150 237 HD2 PRO 32 HD3 PRO 32 7.166 5.199 -12.273 238 HD3 PRO 32 HD2 PRO 32 8.848 5.345 -12.830 239 H TYR 33 H TYR 33 6.340 7.667 -10.595 240 HA TYR 33 HA TYR 33 5.886 10.192 -9.393 241 HB2 TYR 33 HB2 TYR 33 4.024 9.022 -10.450 242 HB3 TYR 33 HB1 TYR 33 4.185 7.659 -9.337 243 HD1 TYR 33 HD1 TYR 33 2.673 7.619 -7.483 244 HD2 TYR 33 HD2 TYR 33 3.781 11.393 -9.205 245 HE1 TYR 33 HE1 TYR 33 1.303 8.813 -5.814 246 HE2 TYR 33 HE2 TYR 33 2.396 12.559 -7.561 247 HH TYR 33 HH TYR 33 0.503 12.093 -6.089 248 H LEU 34 H LEU 34 6.279 6.936 -7.951 249 HA LEU 34 HA LEU 34 5.844 7.733 -5.249 250 HB2 LEU 34 HB3 LEU 34 7.338 5.311 -6.309 251 HB3 LEU 34 HB2 LEU 34 6.808 5.528 -4.650 252 HG LEU 34 HG LEU 34 5.025 5.139 -7.083 253 HD11 LEU 34 HD11 LEU 34 5.528 3.344 -4.687 254 HD12 LEU 34 HD12 LEU 34 6.126 3.095 -6.330 255 HD13 LEU 34 HD13 LEU 34 4.396 3.029 -6.007 256 HD21 LEU 34 HD21 LEU 34 3.936 6.717 -5.555 257 HD22 LEU 34 HD22 LEU 34 4.178 5.613 -4.200 258 HD23 LEU 34 HD23 LEU 34 3.106 5.161 -5.528 259 H ARG 35 H ARG 35 8.775 7.511 -7.234 260 HA ARG 35 HA ARG 35 10.721 8.216 -5.293 261 HB2 ARG 35 HB3 ARG 35 10.560 8.554 -8.302 262 HB3 ARG 35 HB2 ARG 35 11.908 9.248 -7.413 263 HG2 ARG 35 HG3 ARG 35 11.171 6.303 -7.444 264 HG3 ARG 35 HG2 ARG 35 12.458 7.056 -8.389 265 HD2 ARG 35 HD3 ARG 35 13.230 7.899 -5.945 266 HD3 ARG 35 HD2 ARG 35 12.357 6.446 -5.451 267 HE ARG 35 HE ARG 35 13.861 5.333 -7.215 268 HH11 ARG 35 HH11 ARG 35 14.893 7.833 -5.069 269 HH12 ARG 35 HH12 ARG 35 16.566 7.461 -5.286 270 HH21 ARG 35 HH21 ARG 35 15.987 4.910 -7.516 271 HH22 ARG 35 HH22 ARG 35 17.178 5.817 -6.651 272 H GLN 36 H GLN 36 8.894 10.288 -7.575 273 HA GLN 36 HA GLN 36 9.751 12.814 -6.722 274 HB2 GLN 36 HB3 GLN 36 8.520 12.582 -8.797 275 HB3 GLN 36 HB2 GLN 36 7.127 11.900 -7.968 276 HG2 GLN 36 HG3 GLN 36 6.680 14.189 -8.674 277 HG3 GLN 36 HG2 GLN 36 6.665 14.067 -6.916 278 HE21 GLN 36 HE21 GLN 36 7.147 16.164 -6.460 279 HE22 GLN 36 HE22 GLN 36 8.634 16.937 -6.883 280 H CYS 37 H CYS 37 7.148 10.782 -5.467 281 HA CYS 37 HA CYS 37 6.236 12.696 -3.473 282 HB2 CYS 37 HB3 CYS 37 4.633 11.190 -4.596 283 HB3 CYS 37 HB2 CYS 37 5.460 9.782 -3.933 284 HG CYS 37 HG CYS 37 4.883 10.684 -1.228 285 H LYS 38 H LYS 38 8.837 10.580 -3.659 286 HA LYS 38 HA LYS 38 10.506 10.038 -2.253 287 HB2 LYS 38 HB3 LYS 38 9.099 11.855 -0.262 288 HB3 LYS 38 HB2 LYS 38 10.759 11.290 -0.122 289 HG2 LYS 38 HG3 LYS 38 9.738 13.000 -2.414 290 HG3 LYS 38 HG2 LYS 38 10.503 13.649 -0.965 291 HD2 LYS 38 HD3 LYS 38 11.827 11.707 -2.901 292 HD3 LYS 38 HD2 LYS 38 12.060 13.458 -2.917 293 HE2 LYS 38 HE3 LYS 38 12.789 11.580 -0.639 294 HE3 LYS 38 HE2 LYS 38 13.920 12.347 -1.755 295 HZ1 LYS 38 HZ1 LYS 38 13.821 13.525 0.345 296 HZ2 LYS 38 HZ2 LYS 38 12.159 13.768 0.171 297 HZ3 LYS 38 HZ3 LYS 38 13.234 14.504 -0.900 298 H VAL 39 H VAL 39 7.615 8.733 -1.955 299 HA VAL 39 HA VAL 39 7.858 7.355 0.606 300 HB VAL 39 HB VAL 39 5.755 6.174 -0.067 301 HG11 VAL 39 HG11 VAL 39 5.618 9.202 -0.357 302 HG12 VAL 39 HG12 VAL 39 5.628 8.311 1.168 303 HG13 VAL 39 HG13 VAL 39 4.268 8.140 0.058 304 HG21 VAL 39 HG21 VAL 39 5.918 7.866 -2.603 305 HG22 VAL 39 HG22 VAL 39 4.541 6.869 -2.124 306 HG23 VAL 39 HG23 VAL 39 6.083 6.109 -2.520 307 H LEU 40 H LEU 40 9.101 6.885 -2.515 308 HA LEU 40 HA LEU 40 9.640 4.005 -2.027 309 HB2 LEU 40 HB3 LEU 40 8.381 4.732 -4.157 310 HB3 LEU 40 HB2 LEU 40 9.888 5.450 -4.688 311 HG LEU 40 HG LEU 40 10.933 3.112 -4.463 312 HD11 LEU 40 HD11 LEU 40 8.023 2.250 -4.274 313 HD12 LEU 40 HD12 LEU 40 9.243 2.092 -3.007 314 HD13 LEU 40 HD13 LEU 40 9.410 1.179 -4.503 315 HD21 LEU 40 HD21 LEU 40 10.064 2.333 -6.631 316 HD22 LEU 40 HD22 LEU 40 10.409 4.062 -6.651 317 HD23 LEU 40 HD23 LEU 40 8.738 3.497 -6.527 318 H ASN 41 H ASN 41 11.675 3.565 -1.433 319 HA ASN 41 HA ASN 41 13.843 5.518 -1.677 320 HB2 ASN 41 HB3 ASN 41 13.773 2.741 -0.405 321 HB3 ASN 41 HB2 ASN 41 15.111 3.880 -0.280 322 HD21 ASN 41 HD21 ASN 41 11.830 3.197 0.716 323 HD22 ASN 41 HD22 ASN 41 11.773 4.352 1.998 324 HA PRO 42 HA PRO 42 16.006 3.813 -5.274 325 HB2 PRO 42 HB3 PRO 42 18.576 3.283 -4.188 326 HB3 PRO 42 HB2 PRO 42 18.042 4.815 -4.885 327 HG2 PRO 42 HG3 PRO 42 18.095 3.956 -2.002 328 HG3 PRO 42 HG2 PRO 42 18.540 5.525 -2.711 329 HD2 PRO 42 HD3 PRO 42 16.198 5.262 -1.479 330 HD3 PRO 42 HD2 PRO 42 16.273 6.161 -3.013 331 H ASP 43 H ASP 43 16.489 2.001 -2.248 332 HA ASP 43 HA ASP 43 17.172 -0.522 -3.367 333 HB2 ASP 43 HB3 ASP 43 15.832 0.055 -0.691 334 HB3 ASP 43 HB2 ASP 43 16.732 -1.402 -1.115 335 H ASP 44 H ASP 44 14.047 0.778 -2.208 336 HA ASP 44 HA ASP 44 12.459 -1.514 -2.781 337 HB2 ASP 44 HB3 ASP 44 11.617 1.402 -2.515 338 HB3 ASP 44 HB2 ASP 44 10.523 0.022 -2.471 339 H GLU 45 H GLU 45 13.277 1.357 -4.657 340 HA GLU 45 HA GLU 45 11.654 1.008 -6.914 341 HB2 GLU 45 HB3 GLU 45 12.974 3.055 -6.544 342 HB3 GLU 45 HB2 GLU 45 14.479 2.150 -6.716 343 HG2 GLU 45 HG3 GLU 45 13.786 1.610 -9.085 344 HG3 GLU 45 HG2 GLU 45 12.413 2.694 -8.870 345 H GLU 46 H GLU 46 15.026 -0.089 -6.369 346 HA GLU 46 HA GLU 46 15.318 -1.632 -8.717 347 HB2 GLU 46 HB3 GLU 46 16.737 -1.852 -6.032 348 HB3 GLU 46 HB2 GLU 46 17.259 -2.688 -7.494 349 HG2 GLU 46 HG3 GLU 46 17.083 0.327 -7.187 350 HG3 GLU 46 HG2 GLU 46 18.558 -0.620 -7.014 351 H GLN 47 H GLN 47 13.879 -2.427 -5.610 352 HA GLN 47 HA GLN 47 13.733 -5.257 -5.932 353 HB2 GLN 47 HB3 GLN 47 13.464 -4.205 -3.729 354 HB3 GLN 47 HB2 GLN 47 12.006 -3.376 -4.266 355 HG2 GLN 47 HG3 GLN 47 10.834 -5.523 -4.490 356 HG3 GLN 47 HG2 GLN 47 12.302 -6.391 -4.040 357 HE21 GLN 47 HE21 GLN 47 11.264 -7.367 -2.270 358 HE22 GLN 47 HE22 GLN 47 10.851 -6.489 -0.840 359 H VAL 48 H VAL 48 11.344 -2.660 -6.558 360 HA VAL 48 HA VAL 48 9.307 -4.308 -7.673 361 HB VAL 48 HB VAL 48 9.843 -1.325 -8.039 362 HG11 VAL 48 HG11 VAL 48 8.425 -2.113 -9.888 363 HG12 VAL 48 HG12 VAL 48 7.474 -1.134 -8.771 364 HG13 VAL 48 HG13 VAL 48 7.328 -2.891 -8.743 365 HG21 VAL 48 HG21 VAL 48 9.413 -1.965 -5.685 366 HG22 VAL 48 HG22 VAL 48 7.912 -2.760 -6.163 367 HG23 VAL 48 HG23 VAL 48 8.074 -1.010 -6.328 368 H LEU 49 H LEU 49 11.956 -2.493 -9.196 369 HA LEU 49 HA LEU 49 11.129 -3.054 -11.922 370 HB2 LEU 49 HB3 LEU 49 13.606 -1.687 -10.802 371 HB3 LEU 49 HB2 LEU 49 13.227 -1.794 -12.515 372 HG LEU 49 HG LEU 49 11.570 -0.312 -10.434 373 HD11 LEU 49 HD11 LEU 49 13.687 0.818 -10.908 374 HD12 LEU 49 HD12 LEU 49 12.318 1.728 -11.539 375 HD13 LEU 49 HD13 LEU 49 13.334 0.792 -12.639 376 HD21 LEU 49 HD21 LEU 49 10.257 0.541 -12.337 377 HD22 LEU 49 HD22 LEU 49 10.134 -1.210 -12.198 378 HD23 LEU 49 HD23 LEU 49 11.167 -0.497 -13.440 379 H SER 50 H SER 50 12.657 -4.984 -9.717 380 HA SER 50 HA SER 50 14.933 -6.014 -11.060 381 HB2 SER 50 HB3 SER 50 14.509 -6.327 -8.625 382 HB3 SER 50 HB2 SER 50 13.169 -7.410 -8.996 383 HG SER 50 HG SER 50 15.760 -7.918 -10.009 384 H ASP 51 H ASP 51 11.540 -6.721 -11.388 385 HA ASP 51 HA ASP 51 11.792 -9.277 -12.688 386 HB2 ASP 51 HB3 ASP 51 9.407 -7.389 -12.412 387 HB3 ASP 51 HB2 ASP 51 9.330 -9.053 -13.000 388 HA PRO 52 HA PRO 52 12.408 -7.261 -16.774 389 HB2 PRO 52 HB3 PRO 52 13.348 -9.400 -18.114 390 HB3 PRO 52 HB2 PRO 52 14.326 -8.603 -16.875 391 HG2 PRO 52 HG3 PRO 52 12.672 -11.116 -16.640 392 HG3 PRO 52 HG2 PRO 52 14.328 -10.818 -16.074 393 HD2 PRO 52 HD3 PRO 52 12.112 -10.646 -14.438 394 HD3 PRO 52 HD2 PRO 52 13.613 -9.738 -14.149 395 H ASN 53 H ASN 53 10.225 -9.742 -15.850 396 HA ASN 53 HA ASN 53 8.819 -9.878 -18.427 397 HB2 ASN 53 HB3 ASN 53 8.264 -11.327 -15.797 398 HB3 ASN 53 HB2 ASN 53 7.463 -11.642 -17.335 399 HD21 ASN 53 HD21 ASN 53 8.671 -12.643 -19.017 400 HD22 ASN 53 HD22 ASN 53 10.106 -13.539 -18.670 401 H LEU 54 H LEU 54 8.375 -8.761 -15.100 402 HA LEU 54 HA LEU 54 6.846 -7.543 -13.981 403 HB2 LEU 54 HB3 LEU 54 6.240 -6.408 -16.731 404 HB3 LEU 54 HB2 LEU 54 5.642 -5.715 -15.228 405 HG LEU 54 HG LEU 54 8.588 -5.963 -15.973 406 HD11 LEU 54 HD11 LEU 54 6.827 -3.495 -15.993 407 HD12 LEU 54 HD12 LEU 54 7.441 -4.351 -17.412 408 HD13 LEU 54 HD13 LEU 54 8.563 -3.550 -16.316 409 HD21 LEU 54 HD21 LEU 54 7.291 -4.573 -13.598 410 HD22 LEU 54 HD22 LEU 54 9.007 -4.519 -14.012 411 HD23 LEU 54 HD23 LEU 54 8.265 -6.047 -13.548 412 H VAL 55 H VAL 55 5.967 -10.116 -15.514 413 HA VAL 55 HA VAL 55 3.093 -10.029 -15.572 414 HB VAL 55 HB VAL 55 4.980 -12.434 -15.400 415 HG11 VAL 55 HG11 VAL 55 2.028 -12.357 -16.166 416 HG12 VAL 55 HG12 VAL 55 2.702 -13.061 -14.694 417 HG13 VAL 55 HG13 VAL 55 3.074 -13.777 -16.261 418 HG21 VAL 55 HG21 VAL 55 3.695 -11.157 -17.855 419 HG22 VAL 55 HG22 VAL 55 4.678 -12.625 -17.852 420 HG23 VAL 55 HG23 VAL 55 5.406 -11.078 -17.420 421 H ILE 56 H ILE 56 5.564 -10.745 -13.202 422 HA ILE 56 HA ILE 56 3.883 -11.923 -11.172 423 HB ILE 56 HB ILE 56 6.705 -10.786 -10.830 424 HG12 ILE 56 HG12 ILE 56 5.947 -13.603 -11.747 425 HG13 ILE 56 HG11 ILE 56 6.647 -12.360 -12.775 426 HG21 ILE 56 HG21 ILE 56 5.285 -13.002 -9.289 427 HG22 ILE 56 HG22 ILE 56 5.623 -11.378 -8.692 428 HG23 ILE 56 HG23 ILE 56 6.953 -12.482 -9.034 429 HD11 ILE 56 HD11 ILE 56 7.985 -13.670 -10.410 430 HD12 ILE 56 HD12 ILE 56 8.697 -12.413 -11.425 431 HD13 ILE 56 HD13 ILE 56 8.306 -13.988 -12.114 432 H ARG 57 H ARG 57 3.690 -8.887 -12.258 433 HA ARG 57 HA ARG 57 4.016 -7.115 -10.143 434 HB2 ARG 57 HB3 ARG 57 2.552 -5.591 -11.374 435 HB3 ARG 57 HB2 ARG 57 3.681 -6.389 -12.445 436 HG2 ARG 57 HG3 ARG 57 1.794 -6.498 -13.742 437 HG3 ARG 57 HG2 ARG 57 1.617 -8.022 -12.875 438 HD2 ARG 57 HD3 ARG 57 -0.029 -7.062 -11.391 439 HD3 ARG 57 HD2 ARG 57 0.299 -5.431 -11.989 440 HE ARG 57 HE ARG 57 -1.102 -7.573 -13.452 441 HH11 ARG 57 HH11 ARG 57 -0.375 -4.205 -13.107 442 HH12 ARG 57 HH12 ARG 57 -1.444 -3.739 -14.379 443 HH21 ARG 57 HH21 ARG 57 -2.467 -6.941 -15.059 444 HH22 ARG 57 HH22 ARG 57 -2.623 -5.269 -15.455 445 H LYS 58 H LYS 58 1.468 -9.456 -10.598 446 HA LYS 58 HA LYS 58 -0.460 -8.662 -8.751 447 HB2 LYS 58 HB3 LYS 58 -0.600 -10.660 -10.267 448 HB3 LYS 58 HB2 LYS 58 0.570 -11.487 -9.252 449 HG2 LYS 58 HG3 LYS 58 -1.576 -12.346 -8.684 450 HG3 LYS 58 HG2 LYS 58 -1.080 -11.309 -7.345 451 HD2 LYS 58 HD3 LYS 58 -2.518 -9.490 -8.224 452 HD3 LYS 58 HD2 LYS 58 -3.000 -10.520 -9.577 453 HE2 LYS 58 HE3 LYS 58 -3.559 -11.061 -6.638 454 HE3 LYS 58 HE2 LYS 58 -4.730 -10.493 -7.828 455 HZ1 LYS 58 HZ1 LYS 58 -3.303 -13.095 -7.949 456 HZ2 LYS 58 HZ2 LYS 58 -4.486 -12.557 -9.029 457 HZ3 LYS 58 HZ3 LYS 58 -4.893 -12.879 -7.421 458 H ARG 59 H ARG 59 2.475 -10.639 -8.114 459 HA ARG 59 HA ARG 59 2.274 -10.529 -5.257 460 HB2 ARG 59 HB3 ARG 59 3.546 -12.311 -6.371 461 HB3 ARG 59 HB2 ARG 59 4.654 -11.130 -7.063 462 HG2 ARG 59 HG3 ARG 59 5.461 -10.555 -4.794 463 HG3 ARG 59 HG2 ARG 59 4.348 -11.733 -4.096 464 HD2 ARG 59 HD3 ARG 59 5.530 -13.552 -5.258 465 HD3 ARG 59 HD2 ARG 59 6.617 -12.378 -6.013 466 HE ARG 59 HE ARG 59 6.661 -12.158 -3.166 467 HH11 ARG 59 HH11 ARG 59 7.911 -14.118 -5.730 468 HH12 ARG 59 HH12 ARG 59 9.301 -14.594 -4.820 469 HH21 ARG 59 HH21 ARG 59 8.452 -12.783 -2.036 470 HH22 ARG 59 HH22 ARG 59 9.605 -13.844 -2.764 471 H LYS 60 H LYS 60 3.995 -8.561 -7.687 472 HA LYS 60 HA LYS 60 5.758 -7.219 -5.921 473 HB2 LYS 60 HB3 LYS 60 4.792 -6.209 -8.618 474 HB3 LYS 60 HB2 LYS 60 6.231 -5.669 -7.760 475 HG2 LYS 60 HG3 LYS 60 5.755 -8.417 -8.939 476 HG3 LYS 60 HG2 LYS 60 6.836 -7.179 -9.569 477 HD2 LYS 60 HD3 LYS 60 7.148 -8.631 -6.911 478 HD3 LYS 60 HD2 LYS 60 8.064 -8.961 -8.381 479 HE2 LYS 60 HE3 LYS 60 8.839 -6.495 -8.252 480 HE3 LYS 60 HE2 LYS 60 8.207 -6.514 -6.598 481 HZ1 LYS 60 HZ1 LYS 60 9.679 -8.396 -6.136 482 HZ2 LYS 60 HZ2 LYS 60 10.540 -7.038 -6.650 483 HZ3 LYS 60 HZ3 LYS 60 10.273 -8.317 -7.720 484 H VAL 61 H VAL 61 2.510 -6.184 -7.081 485 HA VAL 61 HA VAL 61 2.552 -3.626 -5.794 486 HB VAL 61 HB VAL 61 0.111 -5.295 -6.542 487 HG11 VAL 61 HG11 VAL 61 -0.506 -3.572 -4.889 488 HG12 VAL 61 HG12 VAL 61 -1.166 -3.158 -6.471 489 HG13 VAL 61 HG13 VAL 61 0.269 -2.323 -5.871 490 HG21 VAL 61 HG21 VAL 61 1.491 -4.784 -8.509 491 HG22 VAL 61 HG22 VAL 61 1.467 -3.068 -8.099 492 HG23 VAL 61 HG23 VAL 61 -0.027 -3.888 -8.561 493 H GLY 62 H GLY 62 1.435 -6.861 -4.739 494 HA2 GLY 62 HA3 GLY 62 0.390 -6.191 -2.211 495 HA3 GLY 62 HA2 GLY 62 1.117 -7.737 -2.627 496 H VAL 63 H VAL 63 3.719 -7.016 -3.151 497 HA VAL 63 HA VAL 63 4.968 -6.646 -0.617 498 HB VAL 63 HB VAL 63 6.176 -6.337 -3.405 499 HG11 VAL 63 HG11 VAL 63 8.383 -6.745 -2.328 500 HG12 VAL 63 HG12 VAL 63 7.610 -6.732 -0.743 501 HG13 VAL 63 HG13 VAL 63 7.627 -5.266 -1.723 502 HG21 VAL 63 HG21 VAL 63 5.202 -8.580 -3.074 503 HG22 VAL 63 HG22 VAL 63 6.129 -8.782 -1.586 504 HG23 VAL 63 HG23 VAL 63 6.965 -8.672 -3.137 505 H LEU 64 H LEU 64 4.266 -4.421 -3.293 506 HA LEU 64 HA LEU 64 5.701 -2.156 -2.399 507 HB2 LEU 64 HB3 LEU 64 4.861 -2.457 -4.717 508 HB3 LEU 64 HB2 LEU 64 3.213 -2.267 -4.142 509 HG LEU 64 HG LEU 64 3.751 0.087 -3.455 510 HD11 LEU 64 HD11 LEU 64 6.420 -0.385 -4.820 511 HD12 LEU 64 HD12 LEU 64 6.157 -0.120 -3.095 512 HD13 LEU 64 HD13 LEU 64 5.811 1.169 -4.242 513 HD21 LEU 64 HD21 LEU 64 4.258 -0.501 -6.392 514 HD22 LEU 64 HD22 LEU 64 3.740 1.045 -5.713 515 HD23 LEU 64 HD23 LEU 64 2.676 -0.356 -5.619 516 H LEU 65 H LEU 65 2.320 -3.153 -1.788 517 HA LEU 65 HA LEU 65 1.395 -0.910 -0.330 518 HB2 LEU 65 HB3 LEU 65 0.638 -3.847 0.013 519 HB3 LEU 65 HB2 LEU 65 -0.276 -2.493 0.664 520 HG LEU 65 HG LEU 65 0.108 -3.117 -2.291 521 HD11 LEU 65 HD11 LEU 65 -2.284 -3.653 -2.320 522 HD12 LEU 65 HD12 LEU 65 -2.375 -3.405 -0.575 523 HD13 LEU 65 HD13 LEU 65 -1.395 -4.719 -1.230 524 HD21 LEU 65 HD21 LEU 65 -0.033 -0.706 -1.949 525 HD22 LEU 65 HD22 LEU 65 -1.509 -0.898 -1.002 526 HD23 LEU 65 HD23 LEU 65 -1.502 -1.301 -2.722 527 H ASP 66 H ASP 66 3.175 -3.791 0.634 528 HA ASP 66 HA ASP 66 3.240 -3.371 3.447 529 HB2 ASP 66 HB3 ASP 66 3.604 -5.577 2.305 530 HB3 ASP 66 HB2 ASP 66 5.153 -4.988 1.709 531 H ILE 67 H ILE 67 5.368 -2.355 0.792 532 HA ILE 67 HA ILE 67 7.465 -1.171 2.329 533 HB ILE 67 HB ILE 67 6.482 -0.562 -0.498 534 HG12 ILE 67 HG12 ILE 67 8.880 -2.226 0.395 535 HG13 ILE 67 HG11 ILE 67 7.341 -2.896 -0.128 536 HG21 ILE 67 HG21 ILE 67 7.713 1.393 0.314 537 HG22 ILE 67 HG22 ILE 67 8.666 0.553 -0.909 538 HG23 ILE 67 HG23 ILE 67 9.070 0.375 0.800 539 HD11 ILE 67 HD11 ILE 67 9.261 -1.300 -1.823 540 HD12 ILE 67 HD12 ILE 67 7.701 -1.927 -2.365 541 HD13 ILE 67 HD13 ILE 67 8.983 -3.040 -1.890 542 H LEU 68 H LEU 68 4.479 0.154 0.895 543 HA LEU 68 HA LEU 68 4.975 2.885 1.552 544 HB2 LEU 68 HB3 LEU 68 2.376 1.497 0.828 545 HB3 LEU 68 HB2 LEU 68 2.599 3.240 0.883 546 HG LEU 68 HG LEU 68 4.009 1.348 -1.041 547 HD11 LEU 68 HD11 LEU 68 1.630 1.518 -1.552 548 HD12 LEU 68 HD12 LEU 68 2.596 2.320 -2.788 549 HD13 LEU 68 HD13 LEU 68 1.734 3.282 -1.581 550 HD21 LEU 68 HD21 LEU 68 5.412 3.292 -0.522 551 HD22 LEU 68 HD22 LEU 68 4.089 4.385 -0.932 552 HD23 LEU 68 HD23 LEU 68 4.821 3.374 -2.181 553 H GLN 69 H GLN 69 3.055 0.321 3.191 554 HA GLN 69 HA GLN 69 1.806 1.965 5.139 555 HB2 GLN 69 HB3 GLN 69 1.279 -0.056 6.377 556 HB3 GLN 69 HB2 GLN 69 1.076 -0.364 4.657 557 HG2 GLN 69 HG3 GLN 69 3.207 -1.568 4.599 558 HG3 GLN 69 HG2 GLN 69 3.478 -1.205 6.301 559 HE21 GLN 69 HE21 GLN 69 0.340 -2.154 4.968 560 HE22 GLN 69 HE22 GLN 69 0.273 -3.675 5.772 561 H ARG 70 H ARG 70 5.103 0.973 4.936 562 HA ARG 70 HA ARG 70 5.845 1.102 7.687 563 HB2 ARG 70 HB3 ARG 70 7.600 1.658 5.257 564 HB3 ARG 70 HB2 ARG 70 8.167 1.260 6.877 565 HG2 ARG 70 HG3 ARG 70 6.645 -0.563 4.986 566 HG3 ARG 70 HG2 ARG 70 8.344 -0.700 5.447 567 HD2 ARG 70 HD3 ARG 70 7.759 -1.292 7.710 568 HD3 ARG 70 HD2 ARG 70 6.061 -0.895 7.436 569 HE ARG 70 HE ARG 70 6.894 -2.939 5.655 570 HH11 ARG 70 HH11 ARG 70 6.007 -2.449 8.968 571 HH12 ARG 70 HH12 ARG 70 5.495 -4.087 9.171 572 HH21 ARG 70 HH21 ARG 70 6.222 -5.013 5.955 573 HH22 ARG 70 HH22 ARG 70 5.607 -5.510 7.493 574 H THR 71 H THR 71 5.165 3.593 5.325 575 HA THR 71 HA THR 71 6.201 5.762 7.021 576 HB THR 71 HB THR 71 5.359 7.312 5.347 577 HG1 THR 71 HG1 THR 71 4.258 5.319 3.721 578 HG21 THR 71 HG21 THR 71 7.453 6.164 4.699 579 HG22 THR 71 HG22 THR 71 6.469 6.522 3.279 580 HG23 THR 71 HG23 THR 71 6.516 4.880 3.925 581 H GLY 72 H GLY 72 3.377 3.837 6.824 582 HA2 GLY 72 HA3 GLY 72 1.541 3.829 8.251 583 HA3 GLY 72 HA2 GLY 72 1.912 5.470 8.753 584 H HIS 73 H HIS 73 0.344 6.822 8.221 585 HA HIS 73 HA HIS 73 -1.663 6.216 6.219 586 HB2 HIS 73 HB2 HIS 73 -2.125 7.253 8.497 587 HB3 HIS 73 HB1 HIS 73 -1.376 8.735 7.919 588 HD2 HIS 73 HD2 HIS 73 -2.978 10.294 6.230 589 HE1 HIS 73 HE1 HIS 73 -6.342 7.740 6.426 590 HE2 HIS 73 HE2 HIS 73 -5.492 9.994 5.679 591 H LYS 74 H LYS 74 1.202 8.172 6.388 592 HA LYS 74 HA LYS 74 0.781 10.114 4.406 593 HB2 LYS 74 HB3 LYS 74 2.737 9.858 6.074 594 HB3 LYS 74 HB2 LYS 74 3.442 8.716 4.947 595 HG2 LYS 74 HG3 LYS 74 2.827 11.612 4.244 596 HG3 LYS 74 HG2 LYS 74 4.380 11.068 4.876 597 HD2 LYS 74 HD3 LYS 74 4.642 9.582 2.886 598 HD3 LYS 74 HD2 LYS 74 3.113 10.191 2.247 599 HE2 LYS 74 HE3 LYS 74 4.975 11.322 1.158 600 HE3 LYS 74 HE2 LYS 74 4.098 12.478 2.164 601 HZ1 LYS 74 HZ1 LYS 74 5.792 12.150 3.879 602 HZ2 LYS 74 HZ2 LYS 74 6.450 12.742 2.441 603 HZ3 LYS 74 HZ3 LYS 74 6.639 11.116 2.848 604 H GLY 75 H GLY 75 2.103 6.808 4.093 605 HA2 GLY 75 HA3 GLY 75 2.527 6.734 1.302 606 HA3 GLY 75 HA2 GLY 75 2.292 5.342 2.346 607 H TYR 76 H TYR 76 -0.410 6.229 3.180 608 HA TYR 76 HA TYR 76 -2.008 5.063 1.112 609 HB2 TYR 76 HB2 TYR 76 -2.629 4.795 3.459 610 HB3 TYR 76 HB1 TYR 76 -2.800 6.536 3.653 611 HD1 TYR 76 HD1 TYR 76 -5.037 7.289 3.746 612 HD2 TYR 76 HD2 TYR 76 -4.158 3.877 1.326 613 HE1 TYR 76 HE1 TYR 76 -7.420 7.080 3.173 614 HE2 TYR 76 HE2 TYR 76 -6.536 3.669 0.757 615 HH TYR 76 HH TYR 76 -8.823 6.100 1.396 616 H VAL 77 H VAL 77 -1.500 8.421 2.215 617 HA VAL 77 HA VAL 77 -3.339 9.713 0.480 618 HB VAL 77 HB VAL 77 -0.692 10.778 1.571 619 HG11 VAL 77 HG11 VAL 77 -3.073 12.339 0.475 620 HG12 VAL 77 HG12 VAL 77 -1.498 12.173 -0.304 621 HG13 VAL 77 HG13 VAL 77 -1.637 13.044 1.223 622 HG21 VAL 77 HG21 VAL 77 -2.184 10.024 3.388 623 HG22 VAL 77 HG22 VAL 77 -3.497 11.016 2.745 624 HG23 VAL 77 HG23 VAL 77 -2.045 11.784 3.389 625 H ALA 78 H ALA 78 0.135 9.016 0.118 626 HA ALA 78 HA ALA 78 0.569 9.862 -2.521 627 HB1 ALA 78 HB1 ALA 78 1.901 7.569 -1.036 628 HB2 ALA 78 HB2 ALA 78 2.382 9.264 -0.960 629 HB3 ALA 78 HB3 ALA 78 2.539 8.378 -2.477 630 H PHE 79 H PHE 79 -0.620 6.770 -1.258 631 HA PHE 79 HA PHE 79 -0.675 5.279 -3.665 632 HB2 PHE 79 HB2 PHE 79 -0.781 4.259 -1.401 633 HB3 PHE 79 HB1 PHE 79 -2.377 4.956 -1.151 634 HD1 PHE 79 HD1 PHE 79 -4.242 3.553 -1.568 635 HD2 PHE 79 HD2 PHE 79 -0.555 2.756 -3.593 636 HE1 PHE 79 HE1 PHE 79 -5.222 1.533 -2.578 637 HE2 PHE 79 HE2 PHE 79 -1.546 0.747 -4.591 638 HZ PHE 79 HZ PHE 79 -3.873 0.131 -4.087 639 H LEU 80 H LEU 80 -3.254 7.161 -2.015 640 HA LEU 80 HA LEU 80 -5.345 6.663 -3.867 641 HB2 LEU 80 HB3 LEU 80 -4.937 8.970 -1.933 642 HB3 LEU 80 HB2 LEU 80 -6.397 8.765 -2.890 643 HG LEU 80 HG LEU 80 -5.401 6.904 -0.701 644 HD11 LEU 80 HD11 LEU 80 -7.442 7.613 0.480 645 HD12 LEU 80 HD12 LEU 80 -7.828 8.730 -0.830 646 HD13 LEU 80 HD13 LEU 80 -6.376 8.976 0.147 647 HD21 LEU 80 HD21 LEU 80 -7.859 6.607 -2.474 648 HD22 LEU 80 HD22 LEU 80 -7.481 5.612 -1.064 649 HD23 LEU 80 HD23 LEU 80 -6.432 5.565 -2.477 650 H GLU 81 H GLU 81 -3.004 9.335 -3.619 651 HA GLU 81 HA GLU 81 -3.867 10.855 -5.828 652 HB2 GLU 81 HB3 GLU 81 -1.116 10.532 -4.587 653 HB3 GLU 81 HB2 GLU 81 -1.445 11.675 -5.884 654 HG2 GLU 81 HG3 GLU 81 -2.749 11.699 -3.145 655 HG3 GLU 81 HG2 GLU 81 -1.430 12.748 -3.663 656 H SER 82 H SER 82 -1.405 8.245 -5.671 657 HA SER 82 HA SER 82 -0.738 8.057 -8.396 658 HB2 SER 82 HB3 SER 82 0.523 6.870 -6.633 659 HB3 SER 82 HB2 SER 82 -0.858 5.815 -6.333 660 HG SER 82 HG SER 82 0.128 4.612 -7.757 661 H LEU 83 H LEU 83 -3.443 6.590 -6.611 662 HA LEU 83 HA LEU 83 -4.486 4.952 -8.672 663 HB2 LEU 83 HB3 LEU 83 -5.852 6.233 -6.282 664 HB3 LEU 83 HB2 LEU 83 -6.686 5.151 -7.384 665 HG LEU 83 HG LEU 83 -4.336 4.402 -5.606 666 HD11 LEU 83 HD11 LEU 83 -7.269 3.634 -5.416 667 HD12 LEU 83 HD12 LEU 83 -6.395 4.724 -4.334 668 HD13 LEU 83 HD13 LEU 83 -5.965 3.018 -4.393 669 HD21 LEU 83 HD21 LEU 83 -4.726 2.083 -6.367 670 HD22 LEU 83 HD22 LEU 83 -4.230 3.134 -7.690 671 HD23 LEU 83 HD23 LEU 83 -5.924 2.666 -7.528 672 H GLU 84 H GLU 84 -5.593 8.244 -7.624 673 HA GLU 84 HA GLU 84 -7.509 8.469 -9.718 674 HB2 GLU 84 HB3 GLU 84 -7.493 9.755 -7.527 675 HB3 GLU 84 HB2 GLU 84 -6.223 10.772 -8.201 676 HG2 GLU 84 HG3 GLU 84 -7.778 11.445 -10.027 677 HG3 GLU 84 HG2 GLU 84 -9.038 10.461 -9.284 678 H LEU 85 H LEU 85 -4.087 9.233 -9.568 679 HA LEU 85 HA LEU 85 -3.925 10.924 -11.884 680 HB2 LEU 85 HB3 LEU 85 -2.315 10.670 -9.838 681 HB3 LEU 85 HB2 LEU 85 -1.611 9.333 -10.717 682 HG LEU 85 HG LEU 85 -1.696 12.206 -11.746 683 HD11 LEU 85 HD11 LEU 85 0.591 10.756 -10.373 684 HD12 LEU 85 HD12 LEU 85 -0.351 12.095 -9.711 685 HD13 LEU 85 HD13 LEU 85 0.678 12.356 -11.118 686 HD21 LEU 85 HD21 LEU 85 -0.099 9.827 -12.774 687 HD22 LEU 85 HD22 LEU 85 0.037 11.490 -13.355 688 HD23 LEU 85 HD23 LEU 85 -1.464 10.597 -13.587 689 H TYR 86 H TYR 86 -2.954 7.482 -11.347 690 HA TYR 86 HA TYR 86 -2.464 7.115 -14.228 691 HB2 TYR 86 HB2 TYR 86 -1.874 5.362 -11.815 692 HB3 TYR 86 HB1 TYR 86 -1.579 4.845 -13.468 693 HD1 TYR 86 HD1 TYR 86 -0.585 7.446 -10.946 694 HD2 TYR 86 HD2 TYR 86 0.454 5.410 -14.564 695 HE1 TYR 86 HE1 TYR 86 1.680 8.397 -10.837 696 HE2 TYR 86 HE2 TYR 86 2.712 6.369 -14.459 697 HH TYR 86 HH TYR 86 3.915 8.175 -13.466 698 H TYR 87 H TYR 87 -4.624 5.856 -11.691 699 HA TYR 87 HA TYR 87 -6.104 4.204 -13.689 700 HB2 TYR 87 HB2 TYR 87 -5.883 3.491 -10.737 701 HB3 TYR 87 HB1 TYR 87 -6.386 2.452 -12.062 702 HD1 TYR 87 HD1 TYR 87 -3.569 3.678 -10.108 703 HD2 TYR 87 HD2 TYR 87 -4.618 1.569 -13.680 704 HE1 TYR 87 HE1 TYR 87 -1.259 2.862 -10.303 705 HE2 TYR 87 HE2 TYR 87 -2.307 0.747 -13.870 706 HH TYR 87 HH TYR 87 0.015 1.117 -11.348 707 HA PRO 88 HA PRO 88 -8.778 7.684 -11.707 708 HB2 PRO 88 HB3 PRO 88 -10.132 7.392 -14.396 709 HB3 PRO 88 HB2 PRO 88 -9.755 8.858 -13.478 710 HG2 PRO 88 HG3 PRO 88 -8.243 8.187 -15.551 711 HG3 PRO 88 HG2 PRO 88 -7.475 8.797 -14.067 712 HD2 PRO 88 HD3 PRO 88 -7.680 5.956 -15.069 713 HD3 PRO 88 HD2 PRO 88 -6.315 6.779 -14.284 714 H GLN 89 H GLN 89 -10.187 5.050 -13.705 715 HA GLN 89 HA GLN 89 -12.702 4.906 -12.389 716 HB2 GLN 89 HB3 GLN 89 -11.204 2.903 -14.111 717 HB3 GLN 89 HB2 GLN 89 -12.811 2.572 -13.481 718 HG2 GLN 89 HG3 GLN 89 -12.141 4.928 -15.271 719 HG3 GLN 89 HG2 GLN 89 -12.764 3.385 -15.850 720 HE21 GLN 89 HE21 GLN 89 -13.537 6.286 -14.067 721 HE22 GLN 89 HE22 GLN 89 -15.248 6.076 -14.085 722 H LEU 90 H LEU 90 -9.683 3.061 -11.909 723 HA LEU 90 HA LEU 90 -10.631 1.211 -10.001 724 HB2 LEU 90 HB3 LEU 90 -8.465 0.917 -11.143 725 HB3 LEU 90 HB2 LEU 90 -7.828 2.335 -10.326 726 HG LEU 90 HG LEU 90 -8.106 1.136 -8.120 727 HD11 LEU 90 HD11 LEU 90 -8.722 -1.303 -9.815 728 HD12 LEU 90 HD12 LEU 90 -9.838 -0.472 -8.728 729 HD13 LEU 90 HD13 LEU 90 -8.423 -1.291 -8.073 730 HD21 LEU 90 HD21 LEU 90 -5.926 1.235 -9.215 731 HD22 LEU 90 HD22 LEU 90 -6.283 -0.246 -10.105 732 HD23 LEU 90 HD23 LEU 90 -6.133 -0.285 -8.348 733 H TYR 91 H TYR 91 -9.138 4.447 -9.558 734 HA TYR 91 HA TYR 91 -8.993 4.646 -6.798 735 HB2 TYR 91 HB2 TYR 91 -8.161 6.441 -8.237 736 HB3 TYR 91 HB1 TYR 91 -9.788 6.809 -8.799 737 HD1 TYR 91 HD1 TYR 91 -7.651 6.807 -5.716 738 HD2 TYR 91 HD2 TYR 91 -11.112 8.445 -7.621 739 HE1 TYR 91 HE1 TYR 91 -7.915 8.391 -3.870 740 HE2 TYR 91 HE2 TYR 91 -11.371 10.037 -5.766 741 HH TYR 91 HH TYR 91 -10.706 10.117 -3.304 742 H LYS 92 H LYS 92 -11.803 5.485 -8.833 743 HA LYS 92 HA LYS 92 -13.595 6.183 -6.750 744 HB2 LYS 92 HB3 LYS 92 -14.146 5.289 -9.606 745 HB3 LYS 92 HB2 LYS 92 -15.360 5.976 -8.533 746 HG2 LYS 92 HG3 LYS 92 -12.854 7.406 -9.494 747 HG3 LYS 92 HG2 LYS 92 -14.487 7.643 -10.130 748 HD2 LYS 92 HD3 LYS 92 -15.197 8.359 -7.796 749 HD3 LYS 92 HD2 LYS 92 -13.496 8.298 -7.324 750 HE2 LYS 92 HE3 LYS 92 -14.607 10.060 -9.537 751 HE3 LYS 92 HE2 LYS 92 -14.301 10.599 -7.886 752 HZ1 LYS 92 HZ1 LYS 92 -12.222 9.500 -9.699 753 HZ2 LYS 92 HZ2 LYS 92 -11.976 10.195 -8.176 754 HZ3 LYS 92 HZ3 LYS 92 -12.514 11.150 -9.463 755 H LYS 93 H LYS 93 -12.727 3.057 -8.081 756 HA LYS 93 HA LYS 93 -14.949 1.604 -6.900 757 HB2 LYS 93 HB3 LYS 93 -12.368 0.648 -8.195 758 HB3 LYS 93 HB2 LYS 93 -13.633 -0.435 -7.629 759 HG2 LYS 93 HG3 LYS 93 -14.147 1.697 -9.726 760 HG3 LYS 93 HG2 LYS 93 -13.566 0.088 -10.137 761 HD2 LYS 93 HD3 LYS 93 -15.884 -0.102 -10.460 762 HD3 LYS 93 HD2 LYS 93 -15.665 -0.778 -8.850 763 HE2 LYS 93 HE3 LYS 93 -17.637 0.667 -8.911 764 HE3 LYS 93 HE2 LYS 93 -16.408 1.385 -7.869 765 HZ1 LYS 93 HZ1 LYS 93 -17.478 2.987 -9.369 766 HZ2 LYS 93 HZ2 LYS 93 -16.873 2.144 -10.698 767 HZ3 LYS 93 HZ3 LYS 93 -15.813 2.893 -9.621 768 H VAL 94 H VAL 94 -11.595 2.295 -5.997 769 HA VAL 94 HA VAL 94 -11.459 0.478 -3.775 770 HB VAL 94 HB VAL 94 -9.787 2.970 -4.352 771 HG11 VAL 94 HG11 VAL 94 -8.099 1.993 -2.811 772 HG12 VAL 94 HG12 VAL 94 -9.217 0.688 -2.411 773 HG13 VAL 94 HG13 VAL 94 -9.610 2.351 -1.969 774 HG21 VAL 94 HG21 VAL 94 -9.196 0.047 -4.965 775 HG22 VAL 94 HG22 VAL 94 -8.106 1.402 -5.260 776 HG23 VAL 94 HG23 VAL 94 -9.622 1.283 -6.149 777 H THR 95 H THR 95 -12.020 4.006 -3.996 778 HA THR 95 HA THR 95 -12.640 4.275 -1.166 779 HB THR 95 HB THR 95 -11.504 6.137 -2.342 780 HG1 THR 95 HG1 THR 95 -13.711 6.386 -0.794 781 HG21 THR 95 HG21 THR 95 -12.602 5.972 -4.559 782 HG22 THR 95 HG22 THR 95 -12.711 7.604 -3.904 783 HG23 THR 95 HG23 THR 95 -14.116 6.537 -3.851 784 H GLY 96 H GLY 96 -14.426 3.499 -4.004 785 HA2 GLY 96 HA3 GLY 96 -16.592 2.812 -4.287 786 HA3 GLY 96 HA2 GLY 96 -16.807 2.924 -2.550 787 H LYS 97 H LYS 97 -16.017 5.515 -4.871 788 HA LYS 97 HA LYS 97 -18.491 6.963 -4.062 789 HB2 LYS 97 HB3 LYS 97 -15.742 8.093 -4.742 790 HB3 LYS 97 HB2 LYS 97 -17.176 9.069 -4.430 791 HG2 LYS 97 HG3 LYS 97 -17.277 8.201 -2.122 792 HG3 LYS 97 HG2 LYS 97 -15.866 7.192 -2.438 793 HD2 LYS 97 HD3 LYS 97 -15.106 9.111 -1.217 794 HD3 LYS 97 HD2 LYS 97 -14.539 9.295 -2.874 795 HE2 LYS 97 HE3 LYS 97 -17.011 10.677 -1.762 796 HE3 LYS 97 HE2 LYS 97 -15.413 11.411 -1.818 797 HZ1 LYS 97 HZ1 LYS 97 -15.485 11.076 -4.268 798 HZ2 LYS 97 HZ2 LYS 97 -16.628 12.165 -3.674 799 HZ3 LYS 97 HZ3 LYS 97 -17.099 10.608 -4.113 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -0.962 -0.813 20.883 2 H2 MET 1 HT2 MET 1 -2.230 -0.406 21.922 3 H3 MET 1 HT3 MET 1 -1.832 0.617 20.636 4 HA MET 1 HA MET 1 -2.510 -0.997 19.037 5 HB2 MET 1 HB2 MET 1 -3.541 -3.133 19.732 6 HB3 MET 1 HB1 MET 1 -1.889 -3.012 20.317 7 HG2 MET 1 HG2 MET 1 -2.792 -2.337 22.555 8 HG3 MET 1 HG1 MET 1 -4.416 -2.659 21.943 9 HE1 MET 1 HE1 MET 1 -3.771 -5.270 20.070 10 HE2 MET 1 HE2 MET 1 -5.190 -5.150 21.110 11 HE3 MET 1 HE3 MET 1 -4.139 -6.564 21.209 12 H SER 2 H SER 2 -4.671 -0.926 18.241 13 HA SER 2 HA SER 2 -6.648 0.137 17.885 14 HB2 SER 2 HB3 SER 2 -7.435 -1.535 19.577 15 HB3 SER 2 HB2 SER 2 -7.144 -0.357 20.856 16 HG SER 2 HG SER 2 -8.798 0.885 20.095 17 H ASP 3 H ASP 3 -4.405 1.795 18.441 18 HA ASP 3 HA ASP 3 -5.024 3.990 20.165 19 HB2 ASP 3 HB3 ASP 3 -3.056 3.882 17.837 20 HB3 ASP 3 HB2 ASP 3 -3.056 5.067 19.146 21 H TYR 4 H TYR 4 -4.807 6.330 19.020 22 HA TYR 4 HA TYR 4 -7.338 6.780 17.789 23 HB2 TYR 4 HB2 TYR 4 -5.021 8.755 17.914 24 HB3 TYR 4 HB1 TYR 4 -6.737 9.133 17.775 25 HD1 TYR 4 HD1 TYR 4 -8.211 8.005 19.803 26 HD2 TYR 4 HD2 TYR 4 -4.080 9.094 20.045 27 HE1 TYR 4 HE1 TYR 4 -8.381 8.136 22.251 28 HE2 TYR 4 HE2 TYR 4 -4.259 9.222 22.491 29 HH TYR 4 HH TYR 4 -6.004 9.580 24.188 30 H GLU 5 H GLU 5 -4.017 7.118 16.534 31 HA GLU 5 HA GLU 5 -5.007 6.473 13.806 32 HB2 GLU 5 HB3 GLU 5 -4.083 8.726 13.707 33 HB3 GLU 5 HB2 GLU 5 -2.665 8.245 14.623 34 HG2 GLU 5 HG3 GLU 5 -2.011 8.550 12.338 35 HG3 GLU 5 HG2 GLU 5 -1.908 6.842 12.719 36 H ASN 6 H ASN 6 -4.829 4.232 14.143 37 HA ASN 6 HA ASN 6 -2.050 3.253 13.749 38 HB2 ASN 6 HB3 ASN 6 -4.647 1.715 14.275 39 HB3 ASN 6 HB2 ASN 6 -3.141 0.936 13.793 40 HD21 ASN 6 HD21 ASN 6 -1.424 2.675 15.421 41 HD22 ASN 6 HD22 ASN 6 -1.679 2.176 17.052 42 H ASP 7 H ASP 7 -1.451 3.176 11.642 43 HA ASP 7 HA ASP 7 -3.368 3.584 9.523 44 HB2 ASP 7 HB3 ASP 7 -0.364 3.164 9.508 45 HB3 ASP 7 HB2 ASP 7 -1.316 3.393 8.037 46 H ASP 8 H ASP 8 -2.222 0.741 11.042 47 HA ASP 8 HA ASP 8 -2.828 -1.191 9.128 48 HB2 ASP 8 HB3 ASP 8 -3.518 -1.203 12.097 49 HB3 ASP 8 HB2 ASP 8 -3.464 -2.628 11.057 50 H GLU 9 H GLU 9 -4.998 0.808 11.118 51 HA GLU 9 HA GLU 9 -7.499 -0.264 10.261 52 HB2 GLU 9 HB3 GLU 9 -6.759 2.447 11.432 53 HB3 GLU 9 HB2 GLU 9 -8.421 1.945 11.143 54 HG2 GLU 9 HG3 GLU 9 -6.516 0.428 12.953 55 HG3 GLU 9 HG2 GLU 9 -7.582 1.716 13.520 56 H CYS 10 H CYS 10 -5.571 2.524 9.134 57 HA CYS 10 HA CYS 10 -7.303 3.597 7.212 58 HB2 CYS 10 HB3 CYS 10 -4.256 3.538 7.116 59 HB3 CYS 10 HB2 CYS 10 -5.293 4.661 6.236 60 H TRP 11 H TRP 11 -4.632 1.297 6.720 61 HA TRP 11 HA TRP 11 -5.257 0.691 3.992 62 HB2 TRP 11 HB2 TRP 11 -3.371 -0.604 6.001 63 HB3 TRP 11 HB1 TRP 11 -3.491 -1.110 4.319 64 HD1 TRP 11 HD1 TRP 11 -1.942 1.626 6.493 65 HE1 TRP 11 HE1 TRP 11 -0.414 3.085 5.043 66 HE3 TRP 11 HE3 TRP 11 -3.283 -0.136 1.897 67 HZ2 TRP 11 HZ2 TRP 11 0.155 3.444 2.322 68 HZ3 TRP 11 HZ3 TRP 11 -2.198 0.827 -0.099 69 HH2 TRP 11 HH2 TRP 11 -0.514 2.586 0.116 70 H SER 12 H SER 12 -6.423 -0.584 7.031 71 HA SER 12 HA SER 12 -7.266 -3.176 6.245 72 HB2 SER 12 HB3 SER 12 -7.260 -2.486 8.616 73 HB3 SER 12 HB2 SER 12 -8.569 -1.352 8.306 74 HG SER 12 HG SER 12 -8.608 -4.147 8.452 75 H VAL 13 H VAL 13 -8.757 -0.022 5.818 76 HA VAL 13 HA VAL 13 -11.333 -0.784 4.942 77 HB VAL 13 HB VAL 13 -9.697 1.668 4.121 78 HG11 VAL 13 HG11 VAL 13 -11.877 2.778 3.703 79 HG12 VAL 13 HG12 VAL 13 -12.712 1.259 4.039 80 HG13 VAL 13 HG13 VAL 13 -11.638 1.386 2.646 81 HG21 VAL 13 HG21 VAL 13 -9.863 1.499 6.567 82 HG22 VAL 13 HG22 VAL 13 -11.618 1.333 6.462 83 HG23 VAL 13 HG23 VAL 13 -10.843 2.844 5.980 84 H LEU 14 H LEU 14 -8.265 -0.423 3.186 85 HA LEU 14 HA LEU 14 -9.502 -1.083 0.591 86 HB2 LEU 14 HB3 LEU 14 -6.601 -0.336 1.100 87 HB3 LEU 14 HB2 LEU 14 -7.460 -0.321 -0.432 88 HG LEU 14 HG LEU 14 -7.763 1.633 1.881 89 HD11 LEU 14 HD11 LEU 14 -6.958 2.088 -1.004 90 HD12 LEU 14 HD12 LEU 14 -5.876 2.067 0.389 91 HD13 LEU 14 HD13 LEU 14 -7.098 3.326 0.249 92 HD21 LEU 14 HD21 LEU 14 -10.027 1.195 1.076 93 HD22 LEU 14 HD22 LEU 14 -9.527 1.493 -0.591 94 HD23 LEU 14 HD23 LEU 14 -9.510 2.807 0.588 95 H GLU 15 H GLU 15 -8.051 -2.735 3.119 96 HA GLU 15 HA GLU 15 -6.290 -4.594 2.066 97 HB2 GLU 15 HB3 GLU 15 -6.629 -4.277 4.460 98 HB3 GLU 15 HB2 GLU 15 -8.276 -4.872 4.348 99 HG2 GLU 15 HG3 GLU 15 -6.797 -6.532 5.363 100 HG3 GLU 15 HG2 GLU 15 -7.465 -7.122 3.843 101 H GLY 16 H GLY 16 -9.845 -4.884 2.284 102 HA2 GLY 16 HA3 GLY 16 -10.126 -7.499 1.232 103 HA3 GLY 16 HA2 GLY 16 -11.371 -6.261 1.255 104 H PHE 17 H PHE 17 -9.266 -4.589 -0.387 105 HA PHE 17 HA PHE 17 -10.035 -5.586 -3.051 106 HB2 PHE 17 HB2 PHE 17 -8.863 -2.895 -2.211 107 HB3 PHE 17 HB1 PHE 17 -9.348 -3.321 -3.851 108 HD1 PHE 17 HD1 PHE 17 -11.776 -3.691 -4.373 109 HD2 PHE 17 HD2 PHE 17 -10.503 -2.183 -0.578 110 HE1 PHE 17 HE1 PHE 17 -14.058 -2.919 -3.906 111 HE2 PHE 17 HE2 PHE 17 -12.792 -1.409 -0.124 112 HZ PHE 17 HZ PHE 17 -14.575 -1.780 -1.786 113 H ARG 18 H ARG 18 -7.520 -6.341 -1.113 114 HA ARG 18 HA ARG 18 -5.150 -5.465 -2.248 115 HB2 ARG 18 HB3 ARG 18 -5.133 -6.711 -0.157 116 HB3 ARG 18 HB2 ARG 18 -5.682 -8.173 -0.971 117 HG2 ARG 18 HG3 ARG 18 -3.555 -8.279 -2.236 118 HG3 ARG 18 HG2 ARG 18 -3.008 -6.801 -1.442 119 HD2 ARG 18 HD3 ARG 18 -3.645 -9.404 -0.013 120 HD3 ARG 18 HD2 ARG 18 -2.023 -8.875 -0.469 121 HE ARG 18 HE ARG 18 -3.770 -7.504 1.483 122 HH11 ARG 18 HH11 ARG 18 -0.586 -8.190 0.337 123 HH12 ARG 18 HH12 ARG 18 0.167 -7.456 1.707 124 HH21 ARG 18 HH21 ARG 18 -2.794 -6.602 3.215 125 HH22 ARG 18 HH22 ARG 18 -1.065 -6.567 3.314 126 H VAL 19 H VAL 19 -6.875 -8.475 -3.211 127 HA VAL 19 HA VAL 19 -5.092 -9.343 -5.210 128 HB VAL 19 HB VAL 19 -8.115 -9.766 -5.062 129 HG11 VAL 19 HG11 VAL 19 -7.754 -11.760 -6.492 130 HG12 VAL 19 HG12 VAL 19 -6.053 -11.319 -6.677 131 HG13 VAL 19 HG13 VAL 19 -7.315 -10.270 -7.327 132 HG21 VAL 19 HG21 VAL 19 -7.566 -11.930 -4.003 133 HG22 VAL 19 HG22 VAL 19 -6.945 -10.581 -3.052 134 HG23 VAL 19 HG23 VAL 19 -5.846 -11.531 -4.055 135 H THR 20 H THR 20 -7.953 -7.244 -5.474 136 HA THR 20 HA THR 20 -7.984 -6.741 -8.240 137 HB THR 20 HB THR 20 -8.839 -4.864 -5.982 138 HG1 THR 20 HG1 THR 20 -9.951 -6.768 -5.768 139 HG21 THR 20 HG21 THR 20 -8.756 -3.680 -8.152 140 HG22 THR 20 HG22 THR 20 -10.423 -3.904 -7.624 141 HG23 THR 20 HG23 THR 20 -9.754 -4.938 -8.886 142 H LEU 21 H LEU 21 -6.446 -4.894 -5.615 143 HA LEU 21 HA LEU 21 -5.318 -2.780 -7.058 144 HB2 LEU 21 HB3 LEU 21 -4.428 -4.094 -4.461 145 HB3 LEU 21 HB2 LEU 21 -3.776 -2.572 -5.055 146 HG LEU 21 HG LEU 21 -6.707 -3.018 -4.366 147 HD11 LEU 21 HD11 LEU 21 -5.371 -3.155 -2.325 148 HD12 LEU 21 HD12 LEU 21 -6.300 -1.657 -2.356 149 HD13 LEU 21 HD13 LEU 21 -4.572 -1.628 -2.717 150 HD21 LEU 21 HD21 LEU 21 -6.860 -0.559 -4.535 151 HD22 LEU 21 HD22 LEU 21 -6.408 -1.302 -6.065 152 HD23 LEU 21 HD23 LEU 21 -5.182 -0.495 -5.081 153 H THR 22 H THR 22 -3.812 -5.821 -5.999 154 HA THR 22 HA THR 22 -1.240 -5.215 -7.031 155 HB THR 22 HB THR 22 -0.670 -7.576 -6.459 156 HG1 THR 22 HG1 THR 22 -3.434 -7.732 -5.750 157 HG21 THR 22 HG21 THR 22 -2.244 -6.120 -4.297 158 HG22 THR 22 HG22 THR 22 -0.546 -5.846 -4.698 159 HG23 THR 22 HG23 THR 22 -1.055 -7.396 -4.030 160 H SER 23 H SER 23 -4.019 -6.539 -8.577 161 HA SER 23 HA SER 23 -2.474 -7.687 -10.808 162 HB2 SER 23 HB3 SER 23 -5.479 -7.669 -10.289 163 HB3 SER 23 HB2 SER 23 -4.681 -8.490 -11.633 164 HG SER 23 HG SER 23 -4.551 -9.069 -8.867 165 H VAL 24 H VAL 24 -4.707 -4.955 -10.144 166 HA VAL 24 HA VAL 24 -4.811 -4.180 -12.979 167 HB VAL 24 HB VAL 24 -6.220 -2.901 -10.586 168 HG11 VAL 24 HG11 VAL 24 -6.720 -2.497 -13.564 169 HG12 VAL 24 HG12 VAL 24 -6.043 -1.309 -12.451 170 HG13 VAL 24 HG13 VAL 24 -7.714 -1.835 -12.261 171 HG21 VAL 24 HG21 VAL 24 -6.958 -5.234 -10.929 172 HG22 VAL 24 HG22 VAL 24 -7.313 -4.891 -12.623 173 HG23 VAL 24 HG23 VAL 24 -8.247 -4.104 -11.348 174 H ILE 25 H ILE 25 -3.275 -2.969 -10.005 175 HA ILE 25 HA ILE 25 -2.409 -0.449 -11.147 176 HB ILE 25 HB ILE 25 -1.383 -1.901 -8.662 177 HG12 ILE 25 HG12 ILE 25 -3.336 0.448 -8.855 178 HG13 ILE 25 HG11 ILE 25 -3.799 -1.222 -8.537 179 HG21 ILE 25 HG21 ILE 25 -0.385 0.266 -7.974 180 HG22 ILE 25 HG22 ILE 25 -0.872 0.984 -9.510 181 HG23 ILE 25 HG23 ILE 25 0.321 -0.315 -9.482 182 HD11 ILE 25 HD11 ILE 25 -2.066 0.498 -6.762 183 HD12 ILE 25 HD12 ILE 25 -2.544 -1.171 -6.438 184 HD13 ILE 25 HD13 ILE 25 -3.764 0.101 -6.504 185 H ASP 26 H ASP 26 -0.559 -0.009 -12.283 186 HA ASP 26 HA ASP 26 1.527 -2.068 -12.602 187 HB2 ASP 26 HB3 ASP 26 0.616 -0.903 -14.633 188 HB3 ASP 26 HB2 ASP 26 1.235 0.620 -14.014 189 HA PRO 27 HA PRO 27 3.590 0.360 -9.313 190 HB2 PRO 27 HB3 PRO 27 5.566 -1.423 -8.731 191 HB3 PRO 27 HB2 PRO 27 3.893 -1.679 -8.214 192 HG2 PRO 27 HG3 PRO 27 5.349 -2.866 -10.571 193 HG3 PRO 27 HG2 PRO 27 4.267 -3.662 -9.406 194 HD2 PRO 27 HD3 PRO 27 3.449 -2.837 -11.898 195 HD3 PRO 27 HD2 PRO 27 2.355 -2.951 -10.507 196 H SER 28 H SER 28 5.112 -1.023 -12.204 197 HA SER 28 HA SER 28 7.620 0.347 -12.019 198 HB2 SER 28 HB3 SER 28 7.450 -1.730 -13.290 199 HB3 SER 28 HB2 SER 28 6.271 -1.009 -14.387 200 HG SER 28 HG SER 28 8.675 0.358 -14.158 201 H ARG 29 H ARG 29 4.593 0.972 -13.760 202 HA ARG 29 HA ARG 29 5.318 3.281 -15.190 203 HB2 ARG 29 HB3 ARG 29 3.197 2.044 -15.534 204 HB3 ARG 29 HB2 ARG 29 2.633 2.538 -13.945 205 HG2 ARG 29 HG3 ARG 29 1.539 3.878 -15.641 206 HG3 ARG 29 HG2 ARG 29 2.623 4.906 -14.702 207 HD2 ARG 29 HD3 ARG 29 4.330 4.698 -16.538 208 HD3 ARG 29 HD2 ARG 29 3.150 3.777 -17.476 209 HE ARG 29 HE ARG 29 1.862 5.716 -17.770 210 HH11 ARG 29 HH11 ARG 29 4.738 6.432 -15.957 211 HH12 ARG 29 HH12 ARG 29 4.611 8.131 -16.243 212 HH21 ARG 29 HH21 ARG 29 1.717 7.888 -18.086 213 HH22 ARG 29 HH22 ARG 29 2.913 8.943 -17.422 214 H ILE 30 H ILE 30 4.458 2.846 -11.788 215 HA ILE 30 HA ILE 30 4.406 5.779 -11.347 216 HB ILE 30 HB ILE 30 2.976 5.426 -9.431 217 HG12 ILE 30 HG12 ILE 30 3.210 2.410 -9.908 218 HG13 ILE 30 HG11 ILE 30 3.994 3.283 -8.596 219 HG21 ILE 30 HG21 ILE 30 1.953 3.731 -11.749 220 HG22 ILE 30 HG22 ILE 30 1.845 5.488 -11.629 221 HG23 ILE 30 HG23 ILE 30 0.957 4.475 -10.492 222 HD11 ILE 30 HD11 ILE 30 1.040 2.875 -9.000 223 HD12 ILE 30 HD12 ILE 30 1.739 3.940 -7.772 224 HD13 ILE 30 HD13 ILE 30 2.069 2.202 -7.733 225 H THR 31 H THR 31 6.694 3.413 -11.044 226 HA THR 31 HA THR 31 7.605 3.654 -8.400 227 HB THR 31 HB THR 31 10.017 3.210 -9.418 228 HG1 THR 31 HG1 THR 31 10.063 3.173 -11.505 229 HG21 THR 31 HG21 THR 31 9.567 0.804 -9.593 230 HG22 THR 31 HG22 THR 31 7.837 1.121 -9.705 231 HG23 THR 31 HG23 THR 31 8.704 1.495 -8.216 232 HA PRO 32 HA PRO 32 10.313 7.578 -9.587 233 HB2 PRO 32 HB3 PRO 32 9.603 9.051 -11.791 234 HB3 PRO 32 HB2 PRO 32 10.773 7.725 -11.870 235 HG2 PRO 32 HG3 PRO 32 7.819 7.671 -12.518 236 HG3 PRO 32 HG2 PRO 32 9.180 7.051 -13.482 237 HD2 PRO 32 HD3 PRO 32 7.703 5.401 -11.949 238 HD3 PRO 32 HD2 PRO 32 9.458 5.166 -12.111 239 H TYR 33 H TYR 33 6.866 7.405 -10.182 240 HA TYR 33 HA TYR 33 6.127 10.050 -9.391 241 HB2 TYR 33 HB2 TYR 33 4.735 8.588 -10.862 242 HB3 TYR 33 HB1 TYR 33 4.456 7.500 -9.508 243 HD1 TYR 33 HD1 TYR 33 2.457 7.799 -8.232 244 HD2 TYR 33 HD2 TYR 33 4.058 11.109 -10.449 245 HE1 TYR 33 HE1 TYR 33 0.517 9.192 -7.613 246 HE2 TYR 33 HE2 TYR 33 2.121 12.470 -9.831 247 HH TYR 33 HH TYR 33 0.058 11.746 -7.397 248 H LEU 34 H LEU 34 6.293 6.927 -7.712 249 HA LEU 34 HA LEU 34 5.387 7.997 -5.168 250 HB2 LEU 34 HB3 LEU 34 6.559 5.290 -5.884 251 HB3 LEU 34 HB2 LEU 34 5.863 5.707 -4.324 252 HG LEU 34 HG LEU 34 4.361 5.558 -6.971 253 HD11 LEU 34 HD11 LEU 34 4.215 3.764 -4.535 254 HD12 LEU 34 HD12 LEU 34 4.927 3.358 -6.099 255 HD13 LEU 34 HD13 LEU 34 3.195 3.646 -5.973 256 HD21 LEU 34 HD21 LEU 34 2.301 5.956 -5.677 257 HD22 LEU 34 HD22 LEU 34 3.392 7.336 -5.584 258 HD23 LEU 34 HD23 LEU 34 3.259 6.227 -4.217 259 H ARG 35 H ARG 35 8.508 7.308 -6.703 260 HA ARG 35 HA ARG 35 10.233 7.964 -4.548 261 HB2 ARG 35 HB3 ARG 35 10.533 8.419 -7.546 262 HB3 ARG 35 HB2 ARG 35 11.834 8.712 -6.402 263 HG2 ARG 35 HG3 ARG 35 10.614 5.980 -6.319 264 HG3 ARG 35 HG2 ARG 35 11.515 6.378 -7.779 265 HD2 ARG 35 HD3 ARG 35 12.907 5.223 -6.111 266 HD3 ARG 35 HD2 ARG 35 13.518 6.839 -6.473 267 HE ARG 35 HE ARG 35 11.836 6.461 -4.100 268 HH11 ARG 35 HH11 ARG 35 15.002 7.095 -5.367 269 HH12 ARG 35 HH12 ARG 35 15.623 7.571 -3.826 270 HH21 ARG 35 HH21 ARG 35 12.672 7.058 -2.153 271 HH22 ARG 35 HH22 ARG 35 14.322 7.562 -2.041 272 H GLN 36 H GLN 36 8.550 10.000 -6.936 273 HA GLN 36 HA GLN 36 9.469 12.545 -6.175 274 HB2 GLN 36 HB3 GLN 36 8.228 12.078 -8.277 275 HB3 GLN 36 HB2 GLN 36 6.764 11.781 -7.349 276 HG2 GLN 36 HG3 GLN 36 6.835 14.159 -6.565 277 HG3 GLN 36 HG2 GLN 36 8.231 14.425 -7.608 278 HE21 GLN 36 HE21 GLN 36 5.376 12.484 -8.460 279 HE22 GLN 36 HE22 GLN 36 4.824 13.544 -9.703 280 H CYS 37 H CYS 37 6.853 10.564 -4.826 281 HA CYS 37 HA CYS 37 6.082 12.608 -2.868 282 HB2 CYS 37 HB3 CYS 37 4.410 11.080 -3.979 283 HB3 CYS 37 HB2 CYS 37 5.104 9.742 -3.067 284 HG CYS 37 HG CYS 37 2.648 11.565 -2.194 285 H LYS 38 H LYS 38 8.598 10.462 -3.083 286 HA LYS 38 HA LYS 38 10.183 9.643 -1.725 287 HB2 LYS 38 HB3 LYS 38 9.013 11.639 0.250 288 HB3 LYS 38 HB2 LYS 38 10.459 10.701 0.591 289 HG2 LYS 38 HG3 LYS 38 11.261 12.798 -0.130 290 HG3 LYS 38 HG2 LYS 38 11.475 11.732 -1.517 291 HD2 LYS 38 HD3 LYS 38 9.428 12.656 -2.544 292 HD3 LYS 38 HD2 LYS 38 9.199 13.710 -1.149 293 HE2 LYS 38 HE3 LYS 38 11.306 14.881 -1.680 294 HE3 LYS 38 HE2 LYS 38 11.563 13.805 -3.058 295 HZ1 LYS 38 HZ1 LYS 38 9.283 15.684 -2.729 296 HZ2 LYS 38 HZ2 LYS 38 9.524 14.649 -4.045 297 HZ3 LYS 38 HZ3 LYS 38 10.614 15.907 -3.749 298 H VAL 39 H VAL 39 7.316 8.485 -1.580 299 HA VAL 39 HA VAL 39 7.278 7.102 0.993 300 HB VAL 39 HB VAL 39 5.193 6.020 0.146 301 HG11 VAL 39 HG11 VAL 39 5.240 9.039 -0.208 302 HG12 VAL 39 HG12 VAL 39 5.030 8.168 1.313 303 HG13 VAL 39 HG13 VAL 39 3.796 8.056 0.059 304 HG21 VAL 39 HG21 VAL 39 5.758 5.894 -2.258 305 HG22 VAL 39 HG22 VAL 39 5.650 7.649 -2.389 306 HG23 VAL 39 HG23 VAL 39 4.209 6.701 -2.016 307 H LEU 40 H LEU 40 8.242 6.466 -2.297 308 HA LEU 40 HA LEU 40 8.619 3.587 -1.860 309 HB2 LEU 40 HB3 LEU 40 7.609 4.562 -3.968 310 HB3 LEU 40 HB2 LEU 40 9.176 5.231 -4.367 311 HG LEU 40 HG LEU 40 8.922 2.239 -3.949 312 HD11 LEU 40 HD11 LEU 40 7.079 2.791 -5.468 313 HD12 LEU 40 HD12 LEU 40 8.352 1.912 -6.310 314 HD13 LEU 40 HD13 LEU 40 8.193 3.658 -6.528 315 HD21 LEU 40 HD21 LEU 40 10.670 3.892 -5.806 316 HD22 LEU 40 HD22 LEU 40 10.733 2.138 -5.597 317 HD23 LEU 40 HD23 LEU 40 11.170 3.198 -4.262 318 H ASN 41 H ASN 41 10.530 2.765 -1.294 319 HA ASN 41 HA ASN 41 12.889 4.485 -0.990 320 HB2 ASN 41 HB3 ASN 41 12.372 1.619 -0.066 321 HB3 ASN 41 HB2 ASN 41 13.776 2.594 0.367 322 HD21 ASN 41 HD21 ASN 41 10.351 2.143 0.868 323 HD22 ASN 41 HD22 ASN 41 10.222 3.162 2.251 324 HA PRO 42 HA PRO 42 15.180 2.897 -4.569 325 HB2 PRO 42 HB3 PRO 42 17.714 2.492 -3.418 326 HB3 PRO 42 HB2 PRO 42 17.111 4.042 -4.020 327 HG2 PRO 42 HG3 PRO 42 17.098 2.974 -1.194 328 HG3 PRO 42 HG2 PRO 42 17.533 4.599 -1.777 329 HD2 PRO 42 HD3 PRO 42 15.142 4.174 -0.672 330 HD3 PRO 42 HD2 PRO 42 15.275 5.212 -2.111 331 H ASP 43 H ASP 43 15.283 1.137 -1.526 332 HA ASP 43 HA ASP 43 16.183 -1.405 -2.319 333 HB2 ASP 43 HB3 ASP 43 14.046 -0.858 -0.205 334 HB3 ASP 43 HB2 ASP 43 15.167 -2.217 -0.263 335 H ASP 44 H ASP 44 12.879 -0.053 -2.184 336 HA ASP 44 HA ASP 44 11.501 -2.366 -3.132 337 HB2 ASP 44 HB3 ASP 44 10.403 -0.584 -1.775 338 HB3 ASP 44 HB2 ASP 44 10.590 0.548 -3.114 339 H GLU 45 H GLU 45 12.757 0.551 -4.714 340 HA GLU 45 HA GLU 45 11.640 0.231 -7.277 341 HB2 GLU 45 HB3 GLU 45 12.828 2.275 -6.350 342 HB3 GLU 45 HB2 GLU 45 14.356 1.448 -6.622 343 HG2 GLU 45 HG3 GLU 45 13.832 1.348 -9.061 344 HG3 GLU 45 HG2 GLU 45 12.342 2.246 -8.739 345 H GLU 46 H GLU 46 14.827 -0.815 -6.051 346 HA GLU 46 HA GLU 46 15.787 -2.237 -8.278 347 HB2 GLU 46 HB3 GLU 46 17.152 -1.559 -6.307 348 HB3 GLU 46 HB2 GLU 46 16.300 -2.729 -5.311 349 HG2 GLU 46 HG3 GLU 46 18.457 -3.626 -5.869 350 HG3 GLU 46 HG2 GLU 46 17.231 -4.565 -6.714 351 H GLN 47 H GLN 47 13.891 -3.348 -5.480 352 HA GLN 47 HA GLN 47 13.644 -6.082 -5.989 353 HB2 GLN 47 HB3 GLN 47 12.980 -5.081 -3.862 354 HB3 GLN 47 HB2 GLN 47 11.751 -4.105 -4.648 355 HG2 GLN 47 HG3 GLN 47 10.669 -5.879 -3.456 356 HG3 GLN 47 HG2 GLN 47 10.486 -6.186 -5.180 357 HE21 GLN 47 HE21 GLN 47 12.053 -7.222 -2.241 358 HE22 GLN 47 HE22 GLN 47 12.546 -8.772 -2.821 359 H VAL 48 H VAL 48 11.283 -3.542 -6.804 360 HA VAL 48 HA VAL 48 9.431 -5.212 -8.116 361 HB VAL 48 HB VAL 48 9.713 -2.178 -8.044 362 HG11 VAL 48 HG11 VAL 48 7.400 -3.793 -9.189 363 HG12 VAL 48 HG12 VAL 48 8.492 -2.741 -10.091 364 HG13 VAL 48 HG13 VAL 48 7.384 -2.049 -8.909 365 HG21 VAL 48 HG21 VAL 48 7.812 -2.291 -6.453 366 HG22 VAL 48 HG22 VAL 48 9.187 -3.226 -5.869 367 HG23 VAL 48 HG23 VAL 48 7.798 -4.054 -6.580 368 H LEU 49 H LEU 49 11.978 -3.039 -9.428 369 HA LEU 49 HA LEU 49 11.082 -3.583 -12.167 370 HB2 LEU 49 HB3 LEU 49 13.450 -1.891 -11.285 371 HB3 LEU 49 HB2 LEU 49 12.675 -1.884 -12.862 372 HG LEU 49 HG LEU 49 11.521 -0.828 -10.254 373 HD11 LEU 49 HD11 LEU 49 12.196 0.610 -12.833 374 HD12 LEU 49 HD12 LEU 49 13.116 0.683 -11.328 375 HD13 LEU 49 HD13 LEU 49 11.479 1.336 -11.391 376 HD21 LEU 49 HD21 LEU 49 9.725 -1.946 -11.460 377 HD22 LEU 49 HD22 LEU 49 10.127 -1.065 -12.938 378 HD23 LEU 49 HD23 LEU 49 9.511 -0.199 -11.529 379 H SER 50 H SER 50 12.736 -5.511 -10.236 380 HA SER 50 HA SER 50 15.082 -6.229 -11.631 381 HB2 SER 50 HB3 SER 50 14.629 -6.946 -9.316 382 HB3 SER 50 HB2 SER 50 13.316 -7.978 -9.880 383 HG SER 50 HG SER 50 16.016 -8.418 -9.878 384 H ASP 51 H ASP 51 11.732 -6.987 -12.359 385 HA ASP 51 HA ASP 51 12.331 -9.148 -14.220 386 HB2 ASP 51 HB3 ASP 51 9.769 -7.688 -13.510 387 HB3 ASP 51 HB2 ASP 51 9.832 -8.853 -14.823 388 HA PRO 52 HA PRO 52 12.298 -6.288 -17.835 389 HB2 PRO 52 HB3 PRO 52 12.857 -8.094 -19.765 390 HB3 PRO 52 HB2 PRO 52 14.094 -7.594 -18.601 391 HG2 PRO 52 HG3 PRO 52 12.395 -10.092 -18.610 392 HG3 PRO 52 HG2 PRO 52 14.138 -9.927 -18.305 393 HD2 PRO 52 HD3 PRO 52 12.225 -10.113 -16.307 394 HD3 PRO 52 HD2 PRO 52 13.812 -9.343 -16.090 395 H ASN 53 H ASN 53 10.249 -9.109 -17.309 396 HA ASN 53 HA ASN 53 8.298 -8.275 -19.379 397 HB2 ASN 53 HB3 ASN 53 8.264 -10.760 -17.611 398 HB3 ASN 53 HB2 ASN 53 7.179 -10.433 -18.960 399 HD21 ASN 53 HD21 ASN 53 8.954 -12.689 -18.558 400 HD22 ASN 53 HD22 ASN 53 10.021 -12.716 -19.915 401 H LEU 54 H LEU 54 8.831 -8.266 -15.958 402 HA LEU 54 HA LEU 54 7.727 -7.565 -14.117 403 HB2 LEU 54 HB3 LEU 54 6.062 -6.035 -16.146 404 HB3 LEU 54 HB2 LEU 54 6.028 -5.735 -14.413 405 HG LEU 54 HG LEU 54 8.567 -5.483 -16.077 406 HD11 LEU 54 HD11 LEU 54 8.264 -3.071 -16.097 407 HD12 LEU 54 HD12 LEU 54 6.688 -3.238 -15.316 408 HD13 LEU 54 HD13 LEU 54 6.946 -3.880 -16.941 409 HD21 LEU 54 HD21 LEU 54 8.957 -5.820 -13.672 410 HD22 LEU 54 HD22 LEU 54 7.908 -4.451 -13.292 411 HD23 LEU 54 HD23 LEU 54 9.420 -4.192 -14.162 412 H VAL 55 H VAL 55 7.045 -10.039 -15.157 413 HA VAL 55 HA VAL 55 4.224 -10.535 -15.241 414 HB VAL 55 HB VAL 55 5.815 -11.885 -16.541 415 HG11 VAL 55 HG11 VAL 55 7.727 -11.886 -15.007 416 HG12 VAL 55 HG12 VAL 55 7.320 -13.532 -15.491 417 HG13 VAL 55 HG13 VAL 55 6.859 -12.946 -13.891 418 HG21 VAL 55 HG21 VAL 55 4.354 -13.601 -14.487 419 HG22 VAL 55 HG22 VAL 55 4.905 -14.133 -16.079 420 HG23 VAL 55 HG23 VAL 55 3.642 -12.911 -15.948 421 H ILE 56 H ILE 56 6.615 -10.546 -12.665 422 HA ILE 56 HA ILE 56 4.936 -11.939 -10.728 423 HB ILE 56 HB ILE 56 7.545 -10.415 -10.229 424 HG12 ILE 56 HG12 ILE 56 7.160 -13.393 -10.855 425 HG13 ILE 56 HG11 ILE 56 7.839 -12.206 -11.961 426 HG21 ILE 56 HG21 ILE 56 6.207 -12.593 -8.561 427 HG22 ILE 56 HG22 ILE 56 6.311 -10.884 -8.138 428 HG23 ILE 56 HG23 ILE 56 7.776 -11.859 -8.218 429 HD11 ILE 56 HD11 ILE 56 9.742 -11.890 -10.444 430 HD12 ILE 56 HD12 ILE 56 9.572 -13.564 -10.968 431 HD13 ILE 56 HD13 ILE 56 9.060 -13.098 -9.348 432 H ARG 57 H ARG 57 4.108 -9.391 -12.090 433 HA ARG 57 HA ARG 57 3.664 -7.096 -10.877 434 HB2 ARG 57 HB3 ARG 57 2.631 -8.071 -12.999 435 HB3 ARG 57 HB2 ARG 57 1.408 -8.817 -11.989 436 HG2 ARG 57 HG3 ARG 57 0.460 -6.852 -12.959 437 HG3 ARG 57 HG2 ARG 57 0.711 -6.521 -11.244 438 HD2 ARG 57 HD3 ARG 57 2.285 -4.899 -11.648 439 HD3 ARG 57 HD2 ARG 57 2.979 -5.752 -13.028 440 HE ARG 57 HE ARG 57 0.474 -4.171 -13.145 441 HH11 ARG 57 HH11 ARG 57 3.481 -5.134 -14.593 442 HH12 ARG 57 HH12 ARG 57 3.145 -4.313 -16.074 443 HH21 ARG 57 HH21 ARG 57 0.092 -3.149 -15.080 444 HH22 ARG 57 HH22 ARG 57 1.277 -3.207 -16.335 445 H LYS 58 H LYS 58 1.685 -9.973 -10.072 446 HA LYS 58 HA LYS 58 -0.079 -8.646 -8.281 447 HB2 LYS 58 HB3 LYS 58 0.460 -11.619 -8.606 448 HB3 LYS 58 HB2 LYS 58 -0.939 -10.919 -7.793 449 HG2 LYS 58 HG3 LYS 58 -1.865 -10.108 -9.826 450 HG3 LYS 58 HG2 LYS 58 -0.347 -10.319 -10.703 451 HD2 LYS 58 HD3 LYS 58 -1.965 -12.056 -11.344 452 HD3 LYS 58 HD2 LYS 58 -0.565 -12.770 -10.541 453 HE2 LYS 58 HE3 LYS 58 -2.549 -13.866 -9.715 454 HE3 LYS 58 HE2 LYS 58 -1.917 -12.858 -8.413 455 HZ1 LYS 58 HZ1 LYS 58 -4.282 -12.626 -8.568 456 HZ2 LYS 58 HZ2 LYS 58 -4.192 -12.208 -10.200 457 HZ3 LYS 58 HZ3 LYS 58 -3.566 -11.164 -9.028 458 H ARG 59 H ARG 59 2.946 -10.358 -7.743 459 HA ARG 59 HA ARG 59 2.703 -10.275 -4.829 460 HB2 ARG 59 HB3 ARG 59 4.971 -11.160 -6.652 461 HB3 ARG 59 HB2 ARG 59 5.034 -11.243 -4.891 462 HG2 ARG 59 HG3 ARG 59 3.118 -12.800 -4.889 463 HG3 ARG 59 HG2 ARG 59 3.037 -12.715 -6.650 464 HD2 ARG 59 HD3 ARG 59 5.254 -13.735 -6.829 465 HD3 ARG 59 HD2 ARG 59 5.422 -13.737 -5.069 466 HE ARG 59 HE ARG 59 3.097 -15.160 -5.734 467 HH11 ARG 59 HH11 ARG 59 6.522 -15.534 -6.123 468 HH12 ARG 59 HH12 ARG 59 6.437 -17.258 -6.049 469 HH21 ARG 59 HH21 ARG 59 3.035 -17.351 -5.616 470 HH22 ARG 59 HH22 ARG 59 4.492 -18.273 -5.758 471 H LYS 60 H LYS 60 4.388 -8.492 -7.396 472 HA LYS 60 HA LYS 60 6.165 -7.096 -5.612 473 HB2 LYS 60 HB3 LYS 60 5.618 -6.876 -8.578 474 HB3 LYS 60 HB2 LYS 60 6.683 -5.730 -7.760 475 HG2 LYS 60 HG3 LYS 60 8.091 -7.608 -6.975 476 HG3 LYS 60 HG2 LYS 60 7.052 -8.744 -7.845 477 HD2 LYS 60 HD3 LYS 60 7.760 -7.939 -9.969 478 HD3 LYS 60 HD2 LYS 60 8.427 -6.454 -9.283 479 HE2 LYS 60 HE3 LYS 60 10.188 -7.799 -8.152 480 HE3 LYS 60 HE2 LYS 60 9.561 -9.252 -8.940 481 HZ1 LYS 60 HZ1 LYS 60 11.426 -8.401 -10.133 482 HZ2 LYS 60 HZ2 LYS 60 10.721 -6.868 -10.252 483 HZ3 LYS 60 HZ3 LYS 60 10.040 -8.176 -11.074 484 H VAL 61 H VAL 61 3.043 -6.218 -7.089 485 HA VAL 61 HA VAL 61 3.059 -3.531 -6.060 486 HB VAL 61 HB VAL 61 0.590 -5.233 -6.635 487 HG11 VAL 61 HG11 VAL 61 -0.591 -3.066 -6.915 488 HG12 VAL 61 HG12 VAL 61 0.883 -2.201 -6.472 489 HG13 VAL 61 HG13 VAL 61 0.075 -3.230 -5.289 490 HG21 VAL 61 HG21 VAL 61 0.515 -4.181 -8.860 491 HG22 VAL 61 HG22 VAL 61 1.998 -5.111 -8.646 492 HG23 VAL 61 HG23 VAL 61 2.038 -3.352 -8.528 493 H GLY 62 H GLY 62 2.149 -6.706 -4.755 494 HA2 GLY 62 HA3 GLY 62 1.031 -5.888 -2.271 495 HA3 GLY 62 HA2 GLY 62 1.768 -7.445 -2.607 496 H VAL 63 H VAL 63 4.391 -6.605 -3.218 497 HA VAL 63 HA VAL 63 5.664 -6.094 -0.730 498 HB VAL 63 HB VAL 63 6.755 -5.760 -3.572 499 HG11 VAL 63 HG11 VAL 63 9.023 -5.909 -2.564 500 HG12 VAL 63 HG12 VAL 63 8.304 -5.882 -0.953 501 HG13 VAL 63 HG13 VAL 63 8.151 -4.480 -2.011 502 HG21 VAL 63 HG21 VAL 63 6.021 -8.065 -3.085 503 HG22 VAL 63 HG22 VAL 63 7.038 -8.102 -1.644 504 HG23 VAL 63 HG23 VAL 63 7.777 -7.985 -3.243 505 H LEU 64 H LEU 64 5.032 -3.993 -3.551 506 HA LEU 64 HA LEU 64 5.955 -1.554 -2.590 507 HB2 LEU 64 HB3 LEU 64 5.292 -1.883 -4.910 508 HB3 LEU 64 HB2 LEU 64 3.623 -2.163 -4.439 509 HG LEU 64 HG LEU 64 3.443 0.214 -3.696 510 HD11 LEU 64 HD11 LEU 64 5.189 1.841 -4.271 511 HD12 LEU 64 HD12 LEU 64 6.250 0.536 -4.801 512 HD13 LEU 64 HD13 LEU 64 5.770 0.656 -3.106 513 HD21 LEU 64 HD21 LEU 64 3.381 1.229 -5.926 514 HD22 LEU 64 HD22 LEU 64 2.737 -0.409 -5.973 515 HD23 LEU 64 HD23 LEU 64 4.365 -0.086 -6.576 516 H LEU 65 H LEU 65 2.748 -3.063 -2.055 517 HA LEU 65 HA LEU 65 1.457 -0.961 -0.686 518 HB2 LEU 65 HB3 LEU 65 1.066 -3.973 -0.486 519 HB3 LEU 65 HB2 LEU 65 0.039 -2.828 0.363 520 HG LEU 65 HG LEU 65 0.300 -3.071 -2.658 521 HD11 LEU 65 HD11 LEU 65 -0.945 -4.943 -1.699 522 HD12 LEU 65 HD12 LEU 65 -2.015 -3.886 -2.615 523 HD13 LEU 65 HD13 LEU 65 -2.014 -3.822 -0.850 524 HD21 LEU 65 HD21 LEU 65 -1.460 -1.211 -1.029 525 HD22 LEU 65 HD22 LEU 65 -1.541 -1.434 -2.779 526 HD23 LEU 65 HD23 LEU 65 -0.095 -0.744 -2.049 527 H ASP 66 H ASP 66 3.642 -3.492 0.440 528 HA ASP 66 HA ASP 66 3.433 -3.022 3.236 529 HB2 ASP 66 HB3 ASP 66 4.396 -5.100 2.302 530 HB3 ASP 66 HB2 ASP 66 5.743 -4.194 1.618 531 H ILE 67 H ILE 67 5.794 -1.861 0.797 532 HA ILE 67 HA ILE 67 7.374 -0.234 2.472 533 HB ILE 67 HB ILE 67 6.954 -0.442 -0.509 534 HG12 ILE 67 HG12 ILE 67 9.477 -0.805 -0.439 535 HG13 ILE 67 HG11 ILE 67 9.394 -0.693 1.311 536 HG21 ILE 67 HG21 ILE 67 7.098 1.977 -0.300 537 HG22 ILE 67 HG22 ILE 67 8.584 1.354 -1.012 538 HG23 ILE 67 HG23 ILE 67 8.558 1.841 0.684 539 HD11 ILE 67 HD11 ILE 67 8.112 -2.782 -0.436 540 HD12 ILE 67 HD12 ILE 67 7.926 -2.680 1.317 541 HD13 ILE 67 HD13 ILE 67 9.514 -2.981 0.612 542 H LEU 68 H LEU 68 4.466 0.605 0.590 543 HA LEU 68 HA LEU 68 4.327 3.362 1.233 544 HB2 LEU 68 HB3 LEU 68 2.046 1.429 0.646 545 HB3 LEU 68 HB2 LEU 68 1.927 3.182 0.613 546 HG LEU 68 HG LEU 68 3.596 1.490 -1.287 547 HD11 LEU 68 HD11 LEU 68 1.209 1.234 -1.718 548 HD12 LEU 68 HD12 LEU 68 1.989 2.132 -3.016 549 HD13 LEU 68 HD13 LEU 68 1.017 2.988 -1.815 550 HD21 LEU 68 HD21 LEU 68 3.994 3.556 -2.552 551 HD22 LEU 68 HD22 LEU 68 4.665 3.660 -0.926 552 HD23 LEU 68 HD23 LEU 68 3.154 4.490 -1.308 553 H GLN 69 H GLN 69 2.838 0.493 2.745 554 HA GLN 69 HA GLN 69 1.516 1.760 4.897 555 HB2 GLN 69 HB3 GLN 69 1.147 -0.574 3.957 556 HB3 GLN 69 HB2 GLN 69 2.591 -1.093 4.806 557 HG2 GLN 69 HG3 GLN 69 0.274 0.128 6.315 558 HG3 GLN 69 HG2 GLN 69 0.232 -1.563 5.830 559 HE21 GLN 69 HE21 GLN 69 0.218 -0.492 8.519 560 HE22 GLN 69 HE22 GLN 69 1.608 -1.137 9.307 561 H ARG 70 H ARG 70 4.876 0.758 4.514 562 HA ARG 70 HA ARG 70 5.682 1.030 7.248 563 HB2 ARG 70 HB3 ARG 70 7.293 0.974 4.672 564 HB3 ARG 70 HB2 ARG 70 8.045 1.112 6.258 565 HG2 ARG 70 HG3 ARG 70 6.352 -1.217 5.292 566 HG3 ARG 70 HG2 ARG 70 8.111 -1.199 5.426 567 HD2 ARG 70 HD3 ARG 70 6.155 -0.915 7.740 568 HD3 ARG 70 HD2 ARG 70 7.039 -2.382 7.316 569 HE ARG 70 HE ARG 70 9.068 -0.706 7.685 570 HH11 ARG 70 HH11 ARG 70 6.260 -1.123 9.672 571 HH12 ARG 70 HH12 ARG 70 7.114 -0.761 11.127 572 HH21 ARG 70 HH21 ARG 70 10.122 -0.244 9.571 573 HH22 ARG 70 HH22 ARG 70 9.256 -0.252 11.067 574 H THR 71 H THR 71 5.079 3.393 4.735 575 HA THR 71 HA THR 71 6.340 5.531 6.369 576 HB THR 71 HB THR 71 5.845 7.091 4.549 577 HG1 THR 71 HG1 THR 71 4.746 4.973 3.020 578 HG21 THR 71 HG21 THR 71 7.009 4.533 3.381 579 HG22 THR 71 HG22 THR 71 7.915 5.763 4.268 580 HG23 THR 71 HG23 THR 71 7.187 6.159 2.710 581 H GLY 72 H GLY 72 3.547 3.814 6.447 582 HA2 GLY 72 HA3 GLY 72 1.672 4.064 7.732 583 HA3 GLY 72 HA2 GLY 72 2.232 5.664 8.190 584 H HIS 73 H HIS 73 0.663 7.075 7.793 585 HA HIS 73 HA HIS 73 -1.369 6.732 5.793 586 HB2 HIS 73 HB2 HIS 73 -1.410 8.001 8.160 587 HB3 HIS 73 HB1 HIS 73 -0.992 9.396 7.180 588 HD2 HIS 73 HD2 HIS 73 -2.996 10.014 5.169 589 HE1 HIS 73 HE1 HIS 73 -6.009 7.882 7.228 590 HE2 HIS 73 HE2 HIS 73 -5.538 9.682 5.528 591 H LYS 74 H LYS 74 1.720 8.301 5.867 592 HA LYS 74 HA LYS 74 1.406 10.226 3.818 593 HB2 LYS 74 HB3 LYS 74 3.384 9.737 5.552 594 HB3 LYS 74 HB2 LYS 74 4.044 8.781 4.238 595 HG2 LYS 74 HG3 LYS 74 3.359 11.742 4.066 596 HG3 LYS 74 HG2 LYS 74 4.973 11.102 4.383 597 HD2 LYS 74 HD3 LYS 74 5.051 10.076 2.180 598 HD3 LYS 74 HD2 LYS 74 3.373 10.515 1.862 599 HE2 LYS 74 HE3 LYS 74 4.913 11.997 0.679 600 HE3 LYS 74 HE2 LYS 74 3.984 12.895 1.877 601 HZ1 LYS 74 HZ1 LYS 74 6.271 13.559 1.902 602 HZ2 LYS 74 HZ2 LYS 74 6.785 11.970 2.156 603 HZ3 LYS 74 HZ3 LYS 74 5.907 12.775 3.356 604 H GLY 75 H GLY 75 2.505 6.817 3.694 605 HA2 GLY 75 HA3 GLY 75 2.717 6.541 0.879 606 HA3 GLY 75 HA2 GLY 75 2.497 5.235 2.030 607 H TYR 76 H TYR 76 -0.025 6.316 3.052 608 HA TYR 76 HA TYR 76 -1.905 5.090 1.321 609 HB2 TYR 76 HB2 TYR 76 -2.037 5.364 3.856 610 HB3 TYR 76 HB1 TYR 76 -2.486 7.041 3.591 611 HD1 TYR 76 HD1 TYR 76 -4.796 7.615 3.068 612 HD2 TYR 76 HD2 TYR 76 -3.561 3.523 3.053 613 HE1 TYR 76 HE1 TYR 76 -7.149 6.904 2.965 614 HE2 TYR 76 HE2 TYR 76 -5.904 2.819 2.946 615 HH TYR 76 HH TYR 76 -8.126 3.698 3.538 616 H VAL 77 H VAL 77 -1.082 8.511 1.931 617 HA VAL 77 HA VAL 77 -2.995 9.752 0.252 618 HB VAL 77 HB VAL 77 -0.194 10.744 0.990 619 HG11 VAL 77 HG11 VAL 77 -2.570 12.332 -0.069 620 HG12 VAL 77 HG12 VAL 77 -1.075 11.991 -0.944 621 HG13 VAL 77 HG13 VAL 77 -1.041 13.023 0.486 622 HG21 VAL 77 HG21 VAL 77 -1.323 12.041 2.773 623 HG22 VAL 77 HG22 VAL 77 -1.568 10.309 2.985 624 HG23 VAL 77 HG23 VAL 77 -2.867 11.306 2.334 625 H ALA 78 H ALA 78 0.425 8.886 -0.388 626 HA ALA 78 HA ALA 78 0.539 9.588 -3.123 627 HB1 ALA 78 HB1 ALA 78 2.523 9.210 -1.723 628 HB2 ALA 78 HB2 ALA 78 2.581 8.247 -3.199 629 HB3 ALA 78 HB3 ALA 78 2.158 7.485 -1.662 630 H PHE 79 H PHE 79 -0.489 6.620 -1.539 631 HA PHE 79 HA PHE 79 -0.804 4.957 -3.802 632 HB2 PHE 79 HB2 PHE 79 -0.810 4.153 -1.444 633 HB3 PHE 79 HB1 PHE 79 -2.359 4.952 -1.178 634 HD1 PHE 79 HD1 PHE 79 -4.299 3.624 -1.390 635 HD2 PHE 79 HD2 PHE 79 -0.762 2.497 -3.518 636 HE1 PHE 79 HE1 PHE 79 -5.419 1.593 -2.205 637 HE2 PHE 79 HE2 PHE 79 -1.892 0.476 -4.313 638 HZ PHE 79 HZ PHE 79 -4.211 0.025 -3.660 639 H LEU 80 H LEU 80 -3.152 7.089 -2.109 640 HA LEU 80 HA LEU 80 -5.313 6.761 -3.912 641 HB2 LEU 80 HB3 LEU 80 -4.649 9.142 -2.144 642 HB3 LEU 80 HB2 LEU 80 -6.191 8.890 -2.950 643 HG LEU 80 HG LEU 80 -5.026 7.141 -0.744 644 HD11 LEU 80 HD11 LEU 80 -6.892 7.971 0.622 645 HD12 LEU 80 HD12 LEU 80 -7.398 9.026 -0.700 646 HD13 LEU 80 HD13 LEU 80 -5.842 9.287 0.094 647 HD21 LEU 80 HD21 LEU 80 -7.187 5.929 -0.783 648 HD22 LEU 80 HD22 LEU 80 -6.300 5.737 -2.292 649 HD23 LEU 80 HD23 LEU 80 -7.672 6.845 -2.214 650 H GLU 81 H GLU 81 -2.522 8.947 -3.992 651 HA GLU 81 HA GLU 81 -3.222 10.629 -6.142 652 HB2 GLU 81 HB3 GLU 81 -0.510 9.599 -5.227 653 HB3 GLU 81 HB2 GLU 81 -0.690 10.786 -6.506 654 HG2 GLU 81 HG3 GLU 81 -1.664 12.383 -4.939 655 HG3 GLU 81 HG2 GLU 81 -1.600 11.182 -3.649 656 H SER 82 H SER 82 -1.249 7.630 -6.214 657 HA SER 82 HA SER 82 -0.856 7.452 -8.981 658 HB2 SER 82 HB3 SER 82 -0.190 5.110 -8.582 659 HB3 SER 82 HB2 SER 82 0.457 6.163 -7.326 660 HG SER 82 HG SER 82 -0.963 5.354 -5.889 661 H LEU 83 H LEU 83 -3.466 6.007 -7.014 662 HA LEU 83 HA LEU 83 -4.858 4.703 -9.107 663 HB2 LEU 83 HB3 LEU 83 -5.913 5.882 -6.513 664 HB3 LEU 83 HB2 LEU 83 -6.849 4.846 -7.578 665 HG LEU 83 HG LEU 83 -4.366 4.039 -6.017 666 HD11 LEU 83 HD11 LEU 83 -7.261 3.184 -5.689 667 HD12 LEU 83 HD12 LEU 83 -6.360 4.250 -4.607 668 HD13 LEU 83 HD13 LEU 83 -5.883 2.562 -4.773 669 HD21 LEU 83 HD21 LEU 83 -4.786 1.751 -6.862 670 HD22 LEU 83 HD22 LEU 83 -4.361 2.868 -8.152 671 HD23 LEU 83 HD23 LEU 83 -6.044 2.381 -7.932 672 H GLU 84 H GLU 84 -5.473 7.924 -7.634 673 HA GLU 84 HA GLU 84 -7.661 8.691 -9.194 674 HB2 GLU 84 HB3 GLU 84 -6.896 9.724 -7.047 675 HB3 GLU 84 HB2 GLU 84 -5.579 10.500 -7.904 676 HG2 GLU 84 HG3 GLU 84 -8.436 11.045 -8.721 677 HG3 GLU 84 HG2 GLU 84 -7.771 11.834 -7.299 678 H LEU 85 H LEU 85 -4.204 9.005 -9.891 679 HA LEU 85 HA LEU 85 -4.622 10.695 -12.237 680 HB2 LEU 85 HB3 LEU 85 -2.660 10.803 -10.550 681 HB3 LEU 85 HB2 LEU 85 -2.010 9.403 -11.373 682 HG LEU 85 HG LEU 85 -2.540 12.067 -12.767 683 HD11 LEU 85 HD11 LEU 85 -0.901 12.410 -10.978 684 HD12 LEU 85 HD12 LEU 85 -0.139 12.541 -12.559 685 HD13 LEU 85 HD13 LEU 85 0.081 11.077 -11.594 686 HD21 LEU 85 HD21 LEU 85 -2.378 10.186 -14.339 687 HD22 LEU 85 HD22 LEU 85 -0.832 9.706 -13.640 688 HD23 LEU 85 HD23 LEU 85 -0.978 11.244 -14.496 689 H TYR 86 H TYR 86 -3.352 7.346 -11.666 690 HA TYR 86 HA TYR 86 -3.029 6.992 -14.563 691 HB2 TYR 86 HB2 TYR 86 -2.144 5.224 -12.250 692 HB3 TYR 86 HB1 TYR 86 -1.763 4.930 -13.945 693 HD1 TYR 86 HD1 TYR 86 -1.038 7.084 -11.020 694 HD2 TYR 86 HD2 TYR 86 -0.072 6.331 -15.115 695 HE1 TYR 86 HE1 TYR 86 0.937 8.519 -10.815 696 HE2 TYR 86 HE2 TYR 86 1.911 7.765 -14.897 697 HH TYR 86 HH TYR 86 2.626 9.711 -13.391 698 H TYR 87 H TYR 87 -5.061 5.663 -11.973 699 HA TYR 87 HA TYR 87 -6.653 4.208 -14.014 700 HB2 TYR 87 HB2 TYR 87 -5.872 3.058 -11.294 701 HB3 TYR 87 HB1 TYR 87 -6.957 2.294 -12.451 702 HD1 TYR 87 HD1 TYR 87 -3.523 2.601 -11.403 703 HD2 TYR 87 HD2 TYR 87 -5.969 1.683 -14.791 704 HE1 TYR 87 HE1 TYR 87 -1.607 1.505 -12.495 705 HE2 TYR 87 HE2 TYR 87 -4.058 0.584 -15.870 706 HH TYR 87 HH TYR 87 -1.325 -0.352 -14.323 707 HA PRO 88 HA PRO 88 -9.197 7.208 -11.354 708 HB2 PRO 88 HB3 PRO 88 -10.876 7.986 -13.440 709 HB3 PRO 88 HB2 PRO 88 -9.344 8.778 -13.041 710 HG2 PRO 88 HG3 PRO 88 -9.885 6.646 -15.116 711 HG3 PRO 88 HG2 PRO 88 -8.962 8.158 -15.282 712 HD2 PRO 88 HD3 PRO 88 -7.685 5.841 -14.926 713 HD3 PRO 88 HD2 PRO 88 -7.114 7.302 -14.088 714 H GLN 89 H GLN 89 -10.333 4.775 -13.690 715 HA GLN 89 HA GLN 89 -12.955 4.391 -12.635 716 HB2 GLN 89 HB3 GLN 89 -11.227 2.461 -14.249 717 HB3 GLN 89 HB2 GLN 89 -12.964 2.304 -13.991 718 HG2 GLN 89 HG3 GLN 89 -13.328 4.430 -15.216 719 HG3 GLN 89 HG2 GLN 89 -11.592 4.558 -15.499 720 HE21 GLN 89 HE21 GLN 89 -10.619 3.069 -16.966 721 HE22 GLN 89 HE22 GLN 89 -11.558 2.212 -18.132 722 H LEU 90 H LEU 90 -9.820 3.019 -11.835 723 HA LEU 90 HA LEU 90 -10.807 0.969 -10.054 724 HB2 LEU 90 HB3 LEU 90 -8.648 0.773 -11.298 725 HB3 LEU 90 HB2 LEU 90 -8.006 2.115 -10.367 726 HG LEU 90 HG LEU 90 -8.266 0.719 -8.277 727 HD11 LEU 90 HD11 LEU 90 -10.028 -0.801 -9.021 728 HD12 LEU 90 HD12 LEU 90 -8.615 -1.704 -8.484 729 HD13 LEU 90 HD13 LEU 90 -8.936 -1.524 -10.209 730 HD21 LEU 90 HD21 LEU 90 -6.487 -0.488 -10.423 731 HD22 LEU 90 HD22 LEU 90 -6.309 -0.717 -8.682 732 HD23 LEU 90 HD23 LEU 90 -6.085 0.882 -9.386 733 H TYR 91 H TYR 91 -9.511 4.262 -9.727 734 HA TYR 91 HA TYR 91 -8.967 4.460 -7.034 735 HB2 TYR 91 HB2 TYR 91 -8.426 6.233 -8.636 736 HB3 TYR 91 HB1 TYR 91 -10.133 6.605 -8.851 737 HD1 TYR 91 HD1 TYR 91 -7.828 6.198 -5.876 738 HD2 TYR 91 HD2 TYR 91 -10.738 8.654 -7.821 739 HE1 TYR 91 HE1 TYR 91 -7.636 7.842 -4.080 740 HE2 TYR 91 HE2 TYR 91 -10.539 10.305 -6.006 741 HH TYR 91 HH TYR 91 -8.016 10.303 -3.798 742 H LYS 92 H LYS 92 -12.114 5.499 -8.473 743 HA LYS 92 HA LYS 92 -13.507 5.976 -6.084 744 HB2 LYS 92 HB3 LYS 92 -14.534 5.143 -8.824 745 HB3 LYS 92 HB2 LYS 92 -15.608 5.585 -7.499 746 HG2 LYS 92 HG3 LYS 92 -14.532 7.843 -7.432 747 HG3 LYS 92 HG2 LYS 92 -13.570 7.392 -8.847 748 HD2 LYS 92 HD3 LYS 92 -15.596 7.133 -10.197 749 HD3 LYS 92 HD2 LYS 92 -16.620 7.408 -8.786 750 HE2 LYS 92 HE3 LYS 92 -16.523 9.411 -10.194 751 HE3 LYS 92 HE2 LYS 92 -15.774 9.724 -8.628 752 HZ1 LYS 92 HZ1 LYS 92 -14.508 10.623 -10.502 753 HZ2 LYS 92 HZ2 LYS 92 -14.292 9.061 -11.109 754 HZ3 LYS 92 HZ3 LYS 92 -13.613 9.490 -9.619 755 H LYS 93 H LYS 93 -13.149 2.982 -7.919 756 HA LYS 93 HA LYS 93 -15.028 1.346 -6.601 757 HB2 LYS 93 HB3 LYS 93 -14.038 0.820 -8.782 758 HB3 LYS 93 HB2 LYS 93 -12.449 0.639 -8.050 759 HG2 LYS 93 HG3 LYS 93 -13.221 -1.353 -6.824 760 HG3 LYS 93 HG2 LYS 93 -14.842 -1.153 -7.506 761 HD2 LYS 93 HD3 LYS 93 -13.884 -1.443 -9.795 762 HD3 LYS 93 HD2 LYS 93 -12.292 -1.710 -9.078 763 HE2 LYS 93 HE3 LYS 93 -13.072 -3.740 -7.993 764 HE3 LYS 93 HE2 LYS 93 -14.727 -3.437 -8.526 765 HZ1 LYS 93 HZ1 LYS 93 -13.993 -3.683 -10.811 766 HZ2 LYS 93 HZ2 LYS 93 -13.644 -5.074 -9.911 767 HZ3 LYS 93 HZ3 LYS 93 -12.408 -3.984 -10.297 768 H VAL 94 H VAL 94 -11.569 1.888 -5.954 769 HA VAL 94 HA VAL 94 -11.337 -0.085 -3.873 770 HB VAL 94 HB VAL 94 -9.470 2.204 -4.643 771 HG11 VAL 94 HG11 VAL 94 -8.978 1.474 -2.352 772 HG12 VAL 94 HG12 VAL 94 -7.690 0.954 -3.439 773 HG13 VAL 94 HG13 VAL 94 -8.895 -0.210 -2.876 774 HG21 VAL 94 HG21 VAL 94 -9.856 0.579 -6.467 775 HG22 VAL 94 HG22 VAL 94 -9.362 -0.742 -5.408 776 HG23 VAL 94 HG23 VAL 94 -8.197 0.501 -5.878 777 H THR 95 H THR 95 -11.553 3.507 -3.830 778 HA THR 95 HA THR 95 -11.492 3.615 -0.919 779 HB THR 95 HB THR 95 -10.410 5.417 -2.212 780 HG1 THR 95 HG1 THR 95 -11.128 7.050 -0.887 781 HG21 THR 95 HG21 THR 95 -11.970 5.591 -4.121 782 HG22 THR 95 HG22 THR 95 -11.738 7.157 -3.344 783 HG23 THR 95 HG23 THR 95 -13.216 6.236 -3.051 784 H GLY 96 H GLY 96 -13.974 3.041 -3.164 785 HA2 GLY 96 HA3 GLY 96 -16.087 2.257 -2.417 786 HA3 GLY 96 HA2 GLY 96 -15.988 3.300 -1.012 787 H LYS 97 H LYS 97 -15.122 5.379 -3.305 788 HA LYS 97 HA LYS 97 -17.679 6.688 -3.455 789 HB2 LYS 97 HB3 LYS 97 -15.115 7.358 -4.965 790 HB3 LYS 97 HB2 LYS 97 -16.494 8.430 -4.717 791 HG2 LYS 97 HG3 LYS 97 -16.040 8.360 -2.251 792 HG3 LYS 97 HG2 LYS 97 -14.608 7.384 -2.578 793 HD2 LYS 97 HD3 LYS 97 -13.886 9.669 -2.277 794 HD3 LYS 97 HD2 LYS 97 -13.708 9.277 -3.990 795 HE2 LYS 97 HE3 LYS 97 -14.662 11.529 -3.690 796 HE3 LYS 97 HE2 LYS 97 -15.822 10.461 -4.481 797 HZ1 LYS 97 HZ1 LYS 97 -16.898 10.136 -2.314 798 HZ2 LYS 97 HZ2 LYS 97 -16.905 11.753 -2.797 799 HZ3 LYS 97 HZ3 LYS 97 -15.819 11.234 -1.612 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 8.930 2.677 21.664 2 H2 MET 1 HT2 MET 1 9.616 3.981 20.834 3 H3 MET 1 HT3 MET 1 9.940 2.397 20.338 4 HA MET 1 HA MET 1 7.639 2.060 19.742 5 HB2 MET 1 HB2 MET 1 7.354 4.981 20.586 6 HB3 MET 1 HB1 MET 1 6.117 4.083 19.711 7 HG2 MET 1 HG2 MET 1 7.158 3.247 22.425 8 HG3 MET 1 HG1 MET 1 5.750 4.284 22.195 9 HE1 MET 1 HE1 MET 1 4.118 3.175 19.822 10 HE2 MET 1 HE2 MET 1 3.396 3.456 21.408 11 HE3 MET 1 HE3 MET 1 3.130 1.923 20.575 12 H SER 2 H SER 2 8.320 1.709 17.653 13 HA SER 2 HA SER 2 9.429 3.715 15.899 14 HB2 SER 2 HB3 SER 2 8.146 1.021 15.242 15 HB3 SER 2 HB2 SER 2 9.092 1.998 14.117 16 HG SER 2 HG SER 2 10.395 0.396 15.036 17 H ASP 3 H ASP 3 7.831 3.339 13.482 18 HA ASP 3 HA ASP 3 5.740 5.235 13.898 19 HB2 ASP 3 HB3 ASP 3 6.983 5.069 11.752 20 HB3 ASP 3 HB2 ASP 3 6.259 3.497 11.448 21 H TYR 4 H TYR 4 4.382 4.361 15.458 22 HA TYR 4 HA TYR 4 2.516 2.208 14.630 23 HB2 TYR 4 HB2 TYR 4 3.140 3.381 17.380 24 HB3 TYR 4 HB1 TYR 4 1.770 2.316 17.089 25 HD1 TYR 4 HD1 TYR 4 2.136 -0.078 16.513 26 HD2 TYR 4 HD2 TYR 4 5.422 2.480 17.478 27 HE1 TYR 4 HE1 TYR 4 3.575 -2.047 16.834 28 HE2 TYR 4 HE2 TYR 4 6.858 0.514 17.796 29 HH TYR 4 HH TYR 4 5.984 -2.606 16.789 30 H GLU 5 H GLU 5 1.968 4.082 13.101 31 HA GLU 5 HA GLU 5 0.524 6.368 13.992 32 HB2 GLU 5 HB3 GLU 5 1.743 6.151 11.798 33 HB3 GLU 5 HB2 GLU 5 0.510 5.028 11.246 34 HG2 GLU 5 HG3 GLU 5 0.110 7.211 10.281 35 HG3 GLU 5 HG2 GLU 5 -1.191 6.820 11.405 36 H ASN 6 H ASN 6 -0.412 3.085 13.695 37 HA ASN 6 HA ASN 6 -2.318 1.869 13.741 38 HB2 ASN 6 HB3 ASN 6 -3.509 4.413 14.917 39 HB3 ASN 6 HB2 ASN 6 -4.360 2.870 14.861 40 HD21 ASN 6 HD21 ASN 6 -3.589 1.141 16.193 41 HD22 ASN 6 HD22 ASN 6 -2.560 1.458 17.542 42 H ASP 7 H ASP 7 -1.651 3.586 11.365 43 HA ASP 7 HA ASP 7 -4.269 4.088 10.137 44 HB2 ASP 7 HB3 ASP 7 -2.084 5.638 9.985 45 HB3 ASP 7 HB2 ASP 7 -1.656 4.561 8.678 46 H ASP 8 H ASP 8 -2.487 1.434 10.540 47 HA ASP 8 HA ASP 8 -2.507 0.034 8.132 48 HB2 ASP 8 HB3 ASP 8 -2.738 -2.019 9.626 49 HB3 ASP 8 HB2 ASP 8 -1.413 -0.928 10.025 50 H GLU 9 H GLU 9 -5.217 1.089 10.031 51 HA GLU 9 HA GLU 9 -7.388 -0.346 9.107 52 HB2 GLU 9 HB3 GLU 9 -7.637 1.539 10.655 53 HB3 GLU 9 HB2 GLU 9 -7.081 2.669 9.427 54 HG2 GLU 9 HG3 GLU 9 -9.185 1.947 8.073 55 HG3 GLU 9 HG2 GLU 9 -9.743 1.226 9.582 56 H CYS 10 H CYS 10 -5.910 2.485 7.476 57 HA CYS 10 HA CYS 10 -7.476 2.508 5.157 58 HB2 CYS 10 HB3 CYS 10 -4.617 3.464 5.549 59 HB3 CYS 10 HB2 CYS 10 -5.658 3.918 4.198 60 H TRP 11 H TRP 11 -4.377 0.911 5.786 61 HA TRP 11 HA TRP 11 -4.041 -0.258 3.188 62 HB2 TRP 11 HB2 TRP 11 -2.749 -0.940 5.862 63 HB3 TRP 11 HB1 TRP 11 -2.217 -1.562 4.298 64 HD1 TRP 11 HD1 TRP 11 -1.936 1.498 6.527 65 HE1 TRP 11 HE1 TRP 11 -0.399 3.217 5.405 66 HE3 TRP 11 HE3 TRP 11 -1.509 -0.662 1.903 67 HZ2 TRP 11 HZ2 TRP 11 0.810 3.628 2.902 68 HZ3 TRP 11 HZ3 TRP 11 -0.155 0.474 0.191 69 HH2 TRP 11 HH2 TRP 11 0.979 2.577 0.685 70 H SER 12 H SER 12 -5.746 -1.246 6.071 71 HA SER 12 HA SER 12 -6.137 -4.009 5.373 72 HB2 SER 12 HB3 SER 12 -6.397 -3.228 7.706 73 HB3 SER 12 HB2 SER 12 -7.776 -2.237 7.239 74 HG SER 12 HG SER 12 -7.556 -5.024 7.458 75 H VAL 13 H VAL 13 -7.975 -1.009 4.867 76 HA VAL 13 HA VAL 13 -10.211 -2.095 3.513 77 HB VAL 13 HB VAL 13 -8.943 0.659 3.143 78 HG11 VAL 13 HG11 VAL 13 -11.738 -0.306 2.406 79 HG12 VAL 13 HG12 VAL 13 -10.457 0.153 1.282 80 HG13 VAL 13 HG13 VAL 13 -11.186 1.371 2.327 81 HG21 VAL 13 HG21 VAL 13 -9.557 0.288 5.489 82 HG22 VAL 13 HG22 VAL 13 -11.185 -0.200 5.018 83 HG23 VAL 13 HG23 VAL 13 -10.651 1.462 4.756 84 H LEU 14 H LEU 14 -7.110 -0.783 2.280 85 HA LEU 14 HA LEU 14 -7.442 -1.329 -0.449 86 HB2 LEU 14 HB3 LEU 14 -4.856 -1.406 1.153 87 HB3 LEU 14 HB2 LEU 14 -4.962 -1.318 -0.600 88 HG LEU 14 HG LEU 14 -5.815 0.835 1.373 89 HD11 LEU 14 HD11 LEU 14 -3.570 0.806 -0.662 90 HD12 LEU 14 HD12 LEU 14 -3.397 0.677 1.090 91 HD13 LEU 14 HD13 LEU 14 -4.014 2.164 0.378 92 HD21 LEU 14 HD21 LEU 14 -7.383 0.841 -0.501 93 HD22 LEU 14 HD22 LEU 14 -6.047 0.878 -1.655 94 HD23 LEU 14 HD23 LEU 14 -6.326 2.249 -0.579 95 H GLU 15 H GLU 15 -6.199 -3.421 2.171 96 HA GLU 15 HA GLU 15 -5.588 -5.655 0.542 97 HB2 GLU 15 HB3 GLU 15 -4.616 -5.422 2.767 98 HB3 GLU 15 HB2 GLU 15 -6.203 -5.559 3.515 99 HG2 GLU 15 HG3 GLU 15 -6.389 -7.868 2.977 100 HG3 GLU 15 HG2 GLU 15 -5.085 -7.787 1.795 101 H GLY 16 H GLY 16 -8.593 -4.582 2.012 102 HA2 GLY 16 HA3 GLY 16 -10.267 -6.783 1.560 103 HA3 GLY 16 HA2 GLY 16 -10.770 -5.099 1.520 104 H PHE 17 H PHE 17 -8.833 -4.561 -0.738 105 HA PHE 17 HA PHE 17 -10.284 -5.829 -3.006 106 HB2 PHE 17 HB2 PHE 17 -8.915 -3.090 -2.895 107 HB3 PHE 17 HB1 PHE 17 -9.726 -3.767 -4.302 108 HD1 PHE 17 HD1 PHE 17 -12.142 -3.653 -4.514 109 HD2 PHE 17 HD2 PHE 17 -10.250 -2.346 -0.916 110 HE1 PHE 17 HE1 PHE 17 -14.237 -2.585 -3.794 111 HE2 PHE 17 HE2 PHE 17 -12.348 -1.286 -0.198 112 HZ PHE 17 HZ PHE 17 -14.343 -1.405 -1.638 113 H ARG 18 H ARG 18 -7.676 -6.629 -1.481 114 HA ARG 18 HA ARG 18 -5.363 -5.737 -2.754 115 HB2 ARG 18 HB3 ARG 18 -5.492 -6.934 -0.547 116 HB3 ARG 18 HB2 ARG 18 -5.669 -8.448 -1.415 117 HG2 ARG 18 HG3 ARG 18 -3.430 -8.176 -2.391 118 HG3 ARG 18 HG2 ARG 18 -3.258 -6.604 -1.606 119 HD2 ARG 18 HD3 ARG 18 -3.348 -7.677 0.610 120 HD3 ARG 18 HD2 ARG 18 -3.593 -9.254 -0.148 121 HE ARG 18 HE ARG 18 -1.320 -8.901 -1.173 122 HH11 ARG 18 HH11 ARG 18 -2.082 -7.444 1.887 123 HH12 ARG 18 HH12 ARG 18 -0.428 -7.414 2.387 124 HH21 ARG 18 HH21 ARG 18 0.770 -8.889 -0.455 125 HH22 ARG 18 HH22 ARG 18 1.145 -8.212 1.093 126 H VAL 19 H VAL 19 -7.190 -8.722 -3.490 127 HA VAL 19 HA VAL 19 -5.392 -9.838 -5.348 128 HB VAL 19 HB VAL 19 -7.237 -11.101 -4.281 129 HG11 VAL 19 HG11 VAL 19 -9.557 -10.965 -5.130 130 HG12 VAL 19 HG12 VAL 19 -9.103 -9.598 -6.150 131 HG13 VAL 19 HG13 VAL 19 -9.038 -9.447 -4.393 132 HG21 VAL 19 HG21 VAL 19 -7.886 -12.495 -6.222 133 HG22 VAL 19 HG22 VAL 19 -6.177 -12.061 -6.281 134 HG23 VAL 19 HG23 VAL 19 -7.334 -11.227 -7.321 135 H THR 20 H THR 20 -7.996 -7.470 -5.829 136 HA THR 20 HA THR 20 -7.803 -7.355 -8.702 137 HB THR 20 HB THR 20 -9.054 -5.353 -6.765 138 HG1 THR 20 HG1 THR 20 -10.132 -7.604 -8.151 139 HG21 THR 20 HG21 THR 20 -9.486 -5.679 -9.765 140 HG22 THR 20 HG22 THR 20 -8.668 -4.323 -8.984 141 HG23 THR 20 HG23 THR 20 -10.391 -4.593 -8.712 142 H LEU 21 H LEU 21 -6.664 -5.243 -6.024 143 HA LEU 21 HA LEU 21 -5.540 -3.176 -7.563 144 HB2 LEU 21 HB3 LEU 21 -4.778 -4.132 -4.778 145 HB3 LEU 21 HB2 LEU 21 -4.223 -2.620 -5.488 146 HG LEU 21 HG LEU 21 -7.119 -3.314 -4.834 147 HD11 LEU 21 HD11 LEU 21 -5.788 -2.882 -2.827 148 HD12 LEU 21 HD12 LEU 21 -6.944 -1.583 -3.106 149 HD13 LEU 21 HD13 LEU 21 -5.238 -1.344 -3.499 150 HD21 LEU 21 HD21 LEU 21 -7.627 -0.971 -5.427 151 HD22 LEU 21 HD22 LEU 21 -7.035 -1.881 -6.811 152 HD23 LEU 21 HD23 LEU 21 -5.965 -0.747 -5.981 153 H THR 22 H THR 22 -3.996 -6.113 -6.264 154 HA THR 22 HA THR 22 -1.338 -5.491 -7.038 155 HB THR 22 HB THR 22 -0.829 -7.896 -6.585 156 HG1 THR 22 HG1 THR 22 -2.790 -9.029 -5.607 157 HG21 THR 22 HG21 THR 22 -2.563 -6.594 -4.450 158 HG22 THR 22 HG22 THR 22 -0.836 -6.316 -4.690 159 HG23 THR 22 HG23 THR 22 -1.411 -7.906 -4.187 160 H SER 23 H SER 23 -3.976 -6.987 -8.747 161 HA SER 23 HA SER 23 -2.353 -8.053 -10.920 162 HB2 SER 23 HB3 SER 23 -4.417 -9.209 -10.159 163 HB3 SER 23 HB2 SER 23 -5.384 -7.825 -10.662 164 HG SER 23 HG SER 23 -5.281 -8.503 -12.649 165 H VAL 24 H VAL 24 -4.659 -5.349 -10.495 166 HA VAL 24 HA VAL 24 -4.597 -4.524 -13.263 167 HB VAL 24 HB VAL 24 -5.814 -3.116 -10.837 168 HG11 VAL 24 HG11 VAL 24 -6.269 -2.548 -13.798 169 HG12 VAL 24 HG12 VAL 24 -5.434 -1.496 -12.653 170 HG13 VAL 24 HG13 VAL 24 -7.160 -1.804 -12.466 171 HG21 VAL 24 HG21 VAL 24 -7.147 -4.894 -12.925 172 HG22 VAL 24 HG22 VAL 24 -7.979 -4.037 -11.623 173 HG23 VAL 24 HG23 VAL 24 -6.836 -5.326 -11.241 174 H ILE 25 H ILE 25 -3.274 -3.195 -10.212 175 HA ILE 25 HA ILE 25 -2.225 -0.808 -11.457 176 HB ILE 25 HB ILE 25 -1.643 -1.956 -8.692 177 HG12 ILE 25 HG12 ILE 25 -3.640 0.220 -9.484 178 HG13 ILE 25 HG11 ILE 25 -4.075 -1.449 -9.120 179 HG21 ILE 25 HG21 ILE 25 -0.916 0.346 -8.087 180 HG22 ILE 25 HG22 ILE 25 -1.137 0.855 -9.762 181 HG23 ILE 25 HG23 ILE 25 0.099 -0.338 -9.358 182 HD11 ILE 25 HD11 ILE 25 -2.818 0.505 -7.200 183 HD12 ILE 25 HD12 ILE 25 -3.270 -1.165 -6.836 184 HD13 ILE 25 HD13 ILE 25 -4.509 0.017 -7.250 185 H ASP 26 H ASP 26 -0.389 -0.721 -12.619 186 HA ASP 26 HA ASP 26 1.719 -2.694 -12.311 187 HB2 ASP 26 HB3 ASP 26 1.170 -1.876 -14.575 188 HB3 ASP 26 HB2 ASP 26 1.573 -0.226 -14.096 189 HA PRO 27 HA PRO 27 3.414 -0.007 -9.038 190 HB2 PRO 27 HB3 PRO 27 5.351 -1.700 -8.131 191 HB3 PRO 27 HB2 PRO 27 3.636 -1.968 -7.783 192 HG2 PRO 27 HG3 PRO 27 5.364 -3.247 -9.904 193 HG3 PRO 27 HG2 PRO 27 4.200 -4.014 -8.798 194 HD2 PRO 27 HD3 PRO 27 3.595 -3.388 -11.397 195 HD3 PRO 27 HD2 PRO 27 2.374 -3.407 -10.108 196 H SER 28 H SER 28 5.211 -1.502 -11.655 197 HA SER 28 HA SER 28 7.648 -0.050 -11.438 198 HB2 SER 28 HB3 SER 28 6.383 -1.582 -13.741 199 HB3 SER 28 HB2 SER 28 8.031 -0.941 -13.766 200 HG SER 28 HG SER 28 8.197 -3.020 -13.077 201 H ARG 29 H ARG 29 4.607 0.515 -13.136 202 HA ARG 29 HA ARG 29 5.309 2.653 -14.820 203 HB2 ARG 29 HB3 ARG 29 3.052 1.314 -14.570 204 HB3 ARG 29 HB2 ARG 29 2.628 2.525 -13.374 205 HG2 ARG 29 HG3 ARG 29 1.627 3.179 -15.445 206 HG3 ARG 29 HG2 ARG 29 2.974 4.285 -15.160 207 HD2 ARG 29 HD3 ARG 29 2.849 3.510 -17.524 208 HD3 ARG 29 HD2 ARG 29 4.373 3.067 -16.744 209 HE ARG 29 HE ARG 29 2.958 0.850 -16.324 210 HH11 ARG 29 HH11 ARG 29 3.333 2.606 -19.289 211 HH12 ARG 29 HH12 ARG 29 3.095 1.190 -20.248 212 HH21 ARG 29 HH21 ARG 29 2.693 -0.910 -17.576 213 HH22 ARG 29 HH22 ARG 29 2.729 -0.755 -19.296 214 H ILE 30 H ILE 30 4.546 2.543 -11.397 215 HA ILE 30 HA ILE 30 4.537 5.495 -11.169 216 HB ILE 30 HB ILE 30 3.163 5.220 -9.151 217 HG12 ILE 30 HG12 ILE 30 3.257 2.196 -9.655 218 HG13 ILE 30 HG11 ILE 30 4.152 3.016 -8.382 219 HG21 ILE 30 HG21 ILE 30 2.065 3.592 -11.479 220 HG22 ILE 30 HG22 ILE 30 1.991 5.347 -11.312 221 HG23 ILE 30 HG23 ILE 30 1.102 4.319 -10.190 222 HD11 ILE 30 HD11 ILE 30 1.165 2.763 -8.629 223 HD12 ILE 30 HD12 ILE 30 1.982 3.759 -7.420 224 HD13 ILE 30 HD13 ILE 30 2.220 2.008 -7.435 225 H THR 31 H THR 31 6.869 3.250 -10.785 226 HA THR 31 HA THR 31 7.729 3.393 -8.122 227 HB THR 31 HB THR 31 10.119 3.015 -9.087 228 HG1 THR 31 HG1 THR 31 10.329 3.181 -11.156 229 HG21 THR 31 HG21 THR 31 7.940 1.030 -9.746 230 HG22 THR 31 HG22 THR 31 8.772 1.181 -8.196 231 HG23 THR 31 HG23 THR 31 9.665 0.669 -9.634 232 HA PRO 32 HA PRO 32 10.381 7.387 -8.904 233 HB2 PRO 32 HB3 PRO 32 10.016 8.935 -11.115 234 HB3 PRO 32 HB2 PRO 32 11.120 7.550 -11.116 235 HG2 PRO 32 HG3 PRO 32 8.282 7.707 -12.144 236 HG3 PRO 32 HG2 PRO 32 9.713 6.998 -12.924 237 HD2 PRO 32 HD3 PRO 32 7.870 5.495 -11.583 238 HD3 PRO 32 HD2 PRO 32 9.588 5.050 -11.667 239 H TYR 33 H TYR 33 7.029 7.245 -9.936 240 HA TYR 33 HA TYR 33 6.133 9.805 -9.103 241 HB2 TYR 33 HB2 TYR 33 4.953 8.291 -10.722 242 HB3 TYR 33 HB1 TYR 33 4.570 7.201 -9.395 243 HD1 TYR 33 HD1 TYR 33 2.499 7.494 -8.227 244 HD2 TYR 33 HD2 TYR 33 4.123 10.748 -10.497 245 HE1 TYR 33 HE1 TYR 33 0.463 8.827 -7.815 246 HE2 TYR 33 HE2 TYR 33 2.095 12.055 -10.089 247 HH TYR 33 HH TYR 33 -0.091 11.404 -7.780 248 H LEU 34 H LEU 34 6.441 6.688 -7.470 249 HA LEU 34 HA LEU 34 5.219 7.514 -4.985 250 HB2 LEU 34 HB3 LEU 34 6.924 5.097 -5.684 251 HB3 LEU 34 HB2 LEU 34 6.168 5.346 -4.118 252 HG LEU 34 HG LEU 34 4.675 4.971 -6.744 253 HD11 LEU 34 HD11 LEU 34 4.048 2.772 -5.853 254 HD12 LEU 34 HD12 LEU 34 5.055 3.046 -4.428 255 HD13 LEU 34 HD13 LEU 34 5.796 2.920 -6.027 256 HD21 LEU 34 HD21 LEU 34 2.639 4.821 -5.367 257 HD22 LEU 34 HD22 LEU 34 3.402 6.398 -5.191 258 HD23 LEU 34 HD23 LEU 34 3.575 5.191 -3.914 259 H ARG 35 H ARG 35 8.585 7.063 -6.181 260 HA ARG 35 HA ARG 35 9.922 7.743 -3.775 261 HB2 ARG 35 HB3 ARG 35 10.817 8.010 -6.653 262 HB3 ARG 35 HB2 ARG 35 11.870 8.382 -5.288 263 HG2 ARG 35 HG3 ARG 35 11.536 6.023 -4.470 264 HG3 ARG 35 HG2 ARG 35 10.657 5.688 -5.972 265 HD2 ARG 35 HD3 ARG 35 13.543 6.632 -5.761 266 HD3 ARG 35 HD2 ARG 35 13.002 4.997 -6.145 267 HE ARG 35 HE ARG 35 12.127 5.801 -8.215 268 HH11 ARG 35 HH11 ARG 35 14.027 8.221 -6.632 269 HH12 ARG 35 HH12 ARG 35 14.436 9.003 -8.120 270 HH21 ARG 35 HH21 ARG 35 12.685 6.777 -10.069 271 HH22 ARG 35 HH22 ARG 35 13.670 8.201 -10.043 272 H GLN 36 H GLN 36 8.862 9.898 -6.456 273 HA GLN 36 HA GLN 36 9.969 12.287 -5.368 274 HB2 GLN 36 HB3 GLN 36 8.641 13.511 -6.997 275 HB3 GLN 36 HB2 GLN 36 9.337 12.084 -7.758 276 HG2 GLN 36 HG3 GLN 36 7.128 10.931 -7.483 277 HG3 GLN 36 HG2 GLN 36 6.461 12.439 -6.861 278 HE21 GLN 36 HE21 GLN 36 4.953 12.470 -8.572 279 HE22 GLN 36 HE22 GLN 36 5.410 12.904 -10.179 280 H CYS 37 H CYS 37 6.928 10.611 -4.819 281 HA CYS 37 HA CYS 37 5.788 12.641 -3.090 282 HB2 CYS 37 HB3 CYS 37 4.400 11.013 -4.393 283 HB3 CYS 37 HB2 CYS 37 5.015 9.711 -3.379 284 HG CYS 37 HG CYS 37 3.866 10.684 -1.035 285 H LYS 38 H LYS 38 8.378 10.646 -2.681 286 HA LYS 38 HA LYS 38 9.788 10.175 -1.006 287 HB2 LYS 38 HB3 LYS 38 8.004 12.024 0.631 288 HB3 LYS 38 HB2 LYS 38 9.551 11.402 1.189 289 HG2 LYS 38 HG3 LYS 38 9.102 13.261 -1.174 290 HG3 LYS 38 HG2 LYS 38 9.783 13.692 0.399 291 HD2 LYS 38 HD3 LYS 38 11.654 12.024 -0.079 292 HD3 LYS 38 HD2 LYS 38 11.018 11.896 -1.723 293 HE2 LYS 38 HE3 LYS 38 12.086 14.412 -0.396 294 HE3 LYS 38 HE2 LYS 38 12.887 13.466 -1.650 295 HZ1 LYS 38 HZ1 LYS 38 11.883 15.366 -2.633 296 HZ2 LYS 38 HZ2 LYS 38 10.384 15.038 -1.930 297 HZ3 LYS 38 HZ3 LYS 38 10.999 14.014 -3.124 298 H VAL 39 H VAL 39 7.322 8.485 -1.408 299 HA VAL 39 HA VAL 39 7.088 7.241 1.269 300 HB VAL 39 HB VAL 39 5.099 6.088 0.486 301 HG11 VAL 39 HG11 VAL 39 3.610 8.016 0.065 302 HG12 VAL 39 HG12 VAL 39 5.009 9.024 -0.317 303 HG13 VAL 39 HG13 VAL 39 4.802 8.383 1.314 304 HG21 VAL 39 HG21 VAL 39 5.569 7.333 -2.253 305 HG22 VAL 39 HG22 VAL 39 4.162 6.376 -1.781 306 HG23 VAL 39 HG23 VAL 39 5.755 5.625 -1.850 307 H LEU 40 H LEU 40 8.122 6.506 -2.062 308 HA LEU 40 HA LEU 40 8.957 3.784 -1.285 309 HB2 LEU 40 HB3 LEU 40 7.752 4.185 -3.482 310 HB3 LEU 40 HB2 LEU 40 9.152 5.089 -4.030 311 HG LEU 40 HG LEU 40 10.553 3.027 -3.823 312 HD11 LEU 40 HD11 LEU 40 9.299 1.832 -2.106 313 HD12 LEU 40 HD12 LEU 40 9.477 0.836 -3.548 314 HD13 LEU 40 HD13 LEU 40 7.936 1.628 -3.211 315 HD21 LEU 40 HD21 LEU 40 8.120 2.724 -5.621 316 HD22 LEU 40 HD22 LEU 40 9.662 1.885 -5.814 317 HD23 LEU 40 HD23 LEU 40 9.587 3.636 -5.996 318 H ASN 41 H ASN 41 11.073 3.109 -1.338 319 HA ASN 41 HA ASN 41 13.161 5.137 -1.028 320 HB2 ASN 41 HB3 ASN 41 13.289 2.113 -0.695 321 HB3 ASN 41 HB2 ASN 41 14.490 3.273 -0.139 322 HD21 ASN 41 HD21 ASN 41 12.847 1.257 1.311 323 HD22 ASN 41 HD22 ASN 41 12.068 2.140 2.576 324 HA PRO 42 HA PRO 42 15.083 4.629 -5.089 325 HB2 PRO 42 HB3 PRO 42 17.785 4.339 -3.845 326 HB3 PRO 42 HB2 PRO 42 17.180 5.593 -4.932 327 HG2 PRO 42 HG3 PRO 42 17.616 6.026 -2.291 328 HG3 PRO 42 HG2 PRO 42 16.361 6.884 -3.203 329 HD2 PRO 42 HD3 PRO 42 16.108 4.623 -1.255 330 HD3 PRO 42 HD2 PRO 42 15.011 5.992 -1.546 331 H ASP 43 H ASP 43 16.655 2.538 -2.672 332 HA ASP 43 HA ASP 43 17.460 0.410 -4.323 333 HB2 ASP 43 HB3 ASP 43 16.638 0.354 -1.384 334 HB3 ASP 43 HB2 ASP 43 17.578 -0.899 -2.204 335 H ASP 44 H ASP 44 14.408 0.990 -2.618 336 HA ASP 44 HA ASP 44 13.225 -1.566 -3.200 337 HB2 ASP 44 HB3 ASP 44 12.042 1.045 -2.176 338 HB3 ASP 44 HB2 ASP 44 11.076 -0.415 -2.407 339 H GLU 45 H GLU 45 13.230 1.525 -4.912 340 HA GLU 45 HA GLU 45 11.328 0.971 -6.899 341 HB2 GLU 45 HB3 GLU 45 12.340 3.189 -6.814 342 HB3 GLU 45 HB2 GLU 45 13.945 2.523 -7.122 343 HG2 GLU 45 HG3 GLU 45 13.222 1.791 -9.363 344 HG3 GLU 45 HG2 GLU 45 11.615 2.420 -9.046 345 H GLU 46 H GLU 46 14.836 0.239 -6.885 346 HA GLU 46 HA GLU 46 15.003 -1.196 -9.292 347 HB2 GLU 46 HB3 GLU 46 16.968 -0.362 -8.045 348 HB3 GLU 46 HB2 GLU 46 16.650 -1.513 -6.750 349 HG2 GLU 46 HG3 GLU 46 17.043 -3.383 -8.356 350 HG3 GLU 46 HG2 GLU 46 17.438 -2.195 -9.600 351 H GLN 47 H GLN 47 14.228 -2.296 -6.011 352 HA GLN 47 HA GLN 47 14.063 -5.063 -6.383 353 HB2 GLN 47 HB3 GLN 47 13.963 -4.002 -4.164 354 HB3 GLN 47 HB2 GLN 47 12.430 -3.248 -4.561 355 HG2 GLN 47 HG3 GLN 47 11.908 -5.047 -3.125 356 HG3 GLN 47 HG2 GLN 47 11.437 -5.578 -4.735 357 HE21 GLN 47 HE21 GLN 47 12.049 -7.147 -2.349 358 HE22 GLN 47 HE22 GLN 47 13.318 -8.226 -2.793 359 H VAL 48 H VAL 48 11.466 -2.580 -6.782 360 HA VAL 48 HA VAL 48 9.491 -4.329 -7.859 361 HB VAL 48 HB VAL 48 9.843 -1.342 -8.385 362 HG11 VAL 48 HG11 VAL 48 7.425 -1.359 -8.986 363 HG12 VAL 48 HG12 VAL 48 7.416 -3.121 -8.858 364 HG13 VAL 48 HG13 VAL 48 8.396 -2.328 -10.094 365 HG21 VAL 48 HG21 VAL 48 8.106 -2.760 -6.323 366 HG22 VAL 48 HG22 VAL 48 8.111 -1.022 -6.640 367 HG23 VAL 48 HG23 VAL 48 9.553 -1.804 -5.991 368 H LEU 49 H LEU 49 11.983 -2.372 -9.511 369 HA LEU 49 HA LEU 49 11.056 -3.023 -12.166 370 HB2 LEU 49 HB3 LEU 49 13.506 -1.495 -11.220 371 HB3 LEU 49 HB2 LEU 49 13.031 -1.647 -12.908 372 HG LEU 49 HG LEU 49 11.411 -0.239 -10.739 373 HD11 LEU 49 HD11 LEU 49 11.959 1.834 -11.882 374 HD12 LEU 49 HD12 LEU 49 12.949 0.961 -13.059 375 HD13 LEU 49 HD13 LEU 49 13.431 1.015 -11.360 376 HD21 LEU 49 HD21 LEU 49 10.862 -0.462 -13.714 377 HD22 LEU 49 HD22 LEU 49 9.954 0.519 -12.560 378 HD23 LEU 49 HD23 LEU 49 9.943 -1.236 -12.419 379 H SER 50 H SER 50 12.828 -4.843 -10.049 380 HA SER 50 HA SER 50 14.930 -5.913 -11.615 381 HB2 SER 50 HB3 SER 50 14.798 -6.213 -9.172 382 HB3 SER 50 HB2 SER 50 13.365 -7.223 -9.356 383 HG SER 50 HG SER 50 15.645 -8.185 -9.173 384 H ASP 51 H ASP 51 11.498 -6.590 -11.600 385 HA ASP 51 HA ASP 51 11.730 -8.936 -13.354 386 HB2 ASP 51 HB3 ASP 51 10.047 -8.818 -11.459 387 HB3 ASP 51 HB2 ASP 51 9.215 -7.542 -12.336 388 HA PRO 52 HA PRO 52 11.439 -5.855 -16.770 389 HB2 PRO 52 HB3 PRO 52 12.380 -7.397 -18.785 390 HB3 PRO 52 HB2 PRO 52 13.450 -6.795 -17.507 391 HG2 PRO 52 HG3 PRO 52 12.178 -9.519 -17.784 392 HG3 PRO 52 HG2 PRO 52 13.852 -9.106 -17.357 393 HD2 PRO 52 HD3 PRO 52 11.913 -9.743 -15.493 394 HD3 PRO 52 HD2 PRO 52 13.316 -8.711 -15.135 395 H ASN 53 H ASN 53 9.867 -9.003 -16.663 396 HA ASN 53 HA ASN 53 8.078 -8.443 -18.928 397 HB2 ASN 53 HB3 ASN 53 8.343 -10.884 -17.114 398 HB3 ASN 53 HB2 ASN 53 7.235 -10.769 -18.481 399 HD21 ASN 53 HD21 ASN 53 8.085 -10.772 -20.591 400 HD22 ASN 53 HD22 ASN 53 9.688 -11.314 -20.921 401 H LEU 54 H LEU 54 8.050 -8.644 -15.429 402 HA LEU 54 HA LEU 54 6.599 -8.172 -13.795 403 HB2 LEU 54 HB3 LEU 54 5.327 -6.496 -15.968 404 HB3 LEU 54 HB2 LEU 54 4.787 -6.445 -14.293 405 HG LEU 54 HG LEU 54 7.668 -5.871 -15.110 406 HD11 LEU 54 HD11 LEU 54 7.193 -3.496 -14.900 407 HD12 LEU 54 HD12 LEU 54 5.480 -3.843 -14.657 408 HD13 LEU 54 HD13 LEU 54 6.252 -4.227 -16.197 409 HD21 LEU 54 HD21 LEU 54 6.174 -5.293 -12.521 410 HD22 LEU 54 HD22 LEU 54 7.840 -4.833 -12.879 411 HD23 LEU 54 HD23 LEU 54 7.409 -6.535 -12.761 412 H VAL 55 H VAL 55 6.320 -10.566 -15.078 413 HA VAL 55 HA VAL 55 3.579 -11.427 -15.198 414 HB VAL 55 HB VAL 55 6.165 -12.984 -14.670 415 HG11 VAL 55 HG11 VAL 55 3.419 -14.100 -15.378 416 HG12 VAL 55 HG12 VAL 55 4.244 -14.278 -13.830 417 HG13 VAL 55 HG13 VAL 55 4.912 -15.037 -15.272 418 HG21 VAL 55 HG21 VAL 55 6.130 -11.882 -16.876 419 HG22 VAL 55 HG22 VAL 55 4.585 -12.646 -17.251 420 HG23 VAL 55 HG23 VAL 55 6.032 -13.635 -17.049 421 H ILE 56 H ILE 56 6.050 -11.150 -12.699 422 HA ILE 56 HA ILE 56 4.493 -12.432 -10.593 423 HB ILE 56 HB ILE 56 7.131 -10.921 -10.260 424 HG12 ILE 56 HG12 ILE 56 6.857 -13.865 -11.054 425 HG13 ILE 56 HG11 ILE 56 7.325 -12.579 -12.161 426 HG21 ILE 56 HG21 ILE 56 6.036 -11.603 -8.154 427 HG22 ILE 56 HG22 ILE 56 7.538 -12.495 -8.391 428 HG23 ILE 56 HG23 ILE 56 5.988 -13.280 -8.705 429 HD11 ILE 56 HD11 ILE 56 9.347 -12.179 -10.832 430 HD12 ILE 56 HD12 ILE 56 9.250 -13.838 -11.418 431 HD13 ILE 56 HD13 ILE 56 8.879 -13.481 -9.733 432 H ARG 57 H ARG 57 4.003 -9.559 -11.994 433 HA ARG 57 HA ARG 57 4.113 -7.426 -10.272 434 HB2 ARG 57 HB3 ARG 57 3.374 -7.117 -12.542 435 HB3 ARG 57 HB2 ARG 57 1.982 -8.165 -12.304 436 HG2 ARG 57 HG3 ARG 57 0.955 -6.486 -10.807 437 HG3 ARG 57 HG2 ARG 57 2.362 -5.441 -11.012 438 HD2 ARG 57 HD3 ARG 57 0.487 -6.312 -13.244 439 HD3 ARG 57 HD2 ARG 57 0.427 -4.752 -12.419 440 HE ARG 57 HE ARG 57 2.812 -4.482 -13.286 441 HH11 ARG 57 HH11 ARG 57 0.391 -6.204 -15.061 442 HH12 ARG 57 HH12 ARG 57 1.133 -5.867 -16.581 443 HH21 ARG 57 HH21 ARG 57 3.710 -4.047 -15.235 444 HH22 ARG 57 HH22 ARG 57 2.982 -4.660 -16.683 445 H LYS 58 H LYS 58 1.696 -10.004 -10.209 446 HA LYS 58 HA LYS 58 -0.177 -8.773 -8.450 447 HB2 LYS 58 HB3 LYS 58 0.202 -11.763 -8.877 448 HB3 LYS 58 HB2 LYS 58 -1.264 -10.932 -8.354 449 HG2 LYS 58 HG3 LYS 58 -1.422 -9.831 -10.573 450 HG3 LYS 58 HG2 LYS 58 0.035 -10.686 -11.091 451 HD2 LYS 58 HD3 LYS 58 -1.230 -12.866 -10.618 452 HD3 LYS 58 HD2 LYS 58 -2.682 -11.879 -10.416 453 HE2 LYS 58 HE3 LYS 58 -0.994 -12.123 -12.931 454 HE3 LYS 58 HE2 LYS 58 -2.605 -12.791 -12.677 455 HZ1 LYS 58 HZ1 LYS 58 -1.918 -9.901 -12.759 456 HZ2 LYS 58 HZ2 LYS 58 -3.464 -10.535 -12.500 457 HZ3 LYS 58 HZ3 LYS 58 -2.689 -10.778 -13.982 458 H ARG 59 H ARG 59 2.728 -10.627 -7.878 459 HA ARG 59 HA ARG 59 2.451 -10.638 -4.972 460 HB2 ARG 59 HB3 ARG 59 3.640 -12.467 -6.128 461 HB3 ARG 59 HB2 ARG 59 4.795 -11.320 -6.793 462 HG2 ARG 59 HG3 ARG 59 5.654 -10.856 -4.521 463 HG3 ARG 59 HG2 ARG 59 4.468 -11.976 -3.841 464 HD2 ARG 59 HD3 ARG 59 5.488 -13.835 -5.102 465 HD3 ARG 59 HD2 ARG 59 6.652 -12.718 -5.819 466 HE ARG 59 HE ARG 59 6.994 -12.452 -3.112 467 HH11 ARG 59 HH11 ARG 59 7.134 -15.146 -5.280 468 HH12 ARG 59 HH12 ARG 59 8.379 -15.930 -4.378 469 HH21 ARG 59 HH21 ARG 59 8.580 -13.477 -1.982 470 HH22 ARG 59 HH22 ARG 59 9.177 -15.003 -2.531 471 H LYS 60 H LYS 60 4.216 -8.800 -7.475 472 HA LYS 60 HA LYS 60 6.038 -7.431 -5.840 473 HB2 LYS 60 HB3 LYS 60 4.885 -6.557 -8.519 474 HB3 LYS 60 HB2 LYS 60 6.312 -5.848 -7.764 475 HG2 LYS 60 HG3 LYS 60 6.054 -8.747 -8.635 476 HG3 LYS 60 HG2 LYS 60 6.867 -7.484 -9.559 477 HD2 LYS 60 HD3 LYS 60 7.719 -8.193 -6.722 478 HD3 LYS 60 HD2 LYS 60 8.332 -9.075 -8.123 479 HE2 LYS 60 HE3 LYS 60 8.562 -6.054 -7.897 480 HE3 LYS 60 HE2 LYS 60 9.788 -7.153 -7.259 481 HZ1 LYS 60 HZ1 LYS 60 10.090 -8.050 -9.473 482 HZ2 LYS 60 HZ2 LYS 60 10.339 -6.379 -9.460 483 HZ3 LYS 60 HZ3 LYS 60 8.903 -7.009 -10.092 484 H VAL 61 H VAL 61 2.770 -6.355 -6.894 485 HA VAL 61 HA VAL 61 2.868 -3.824 -5.563 486 HB VAL 61 HB VAL 61 0.367 -5.429 -6.239 487 HG11 VAL 61 HG11 VAL 61 0.703 -2.434 -5.787 488 HG12 VAL 61 HG12 VAL 61 -0.112 -3.565 -4.707 489 HG13 VAL 61 HG13 VAL 61 -0.789 -3.231 -6.300 490 HG21 VAL 61 HG21 VAL 61 0.270 -4.155 -8.352 491 HG22 VAL 61 HG22 VAL 61 1.719 -5.155 -8.257 492 HG23 VAL 61 HG23 VAL 61 1.829 -3.416 -7.976 493 H GLY 62 H GLY 62 1.744 -7.061 -4.569 494 HA2 GLY 62 HA3 GLY 62 0.619 -6.432 -2.058 495 HA3 GLY 62 HA2 GLY 62 1.322 -7.980 -2.500 496 H VAL 63 H VAL 63 3.977 -7.238 -2.905 497 HA VAL 63 HA VAL 63 5.140 -6.974 -0.322 498 HB VAL 63 HB VAL 63 6.405 -6.578 -3.080 499 HG11 VAL 63 HG11 VAL 63 7.787 -7.095 -0.415 500 HG12 VAL 63 HG12 VAL 63 7.835 -5.593 -1.341 501 HG13 VAL 63 HG13 VAL 63 8.579 -7.051 -1.994 502 HG21 VAL 63 HG21 VAL 63 7.163 -8.926 -2.884 503 HG22 VAL 63 HG22 VAL 63 5.405 -8.817 -2.846 504 HG23 VAL 63 HG23 VAL 63 6.302 -9.088 -1.352 505 H LEU 64 H LEU 64 4.685 -4.715 -3.029 506 HA LEU 64 HA LEU 64 5.976 -2.437 -2.069 507 HB2 LEU 64 HB3 LEU 64 5.179 -2.740 -4.397 508 HB3 LEU 64 HB2 LEU 64 3.519 -2.605 -3.848 509 HG LEU 64 HG LEU 64 4.053 -0.227 -3.090 510 HD11 LEU 64 HD11 LEU 64 6.022 0.885 -4.032 511 HD12 LEU 64 HD12 LEU 64 6.605 -0.654 -4.670 512 HD13 LEU 64 HD13 LEU 64 6.484 -0.407 -2.925 513 HD21 LEU 64 HD21 LEU 64 4.349 -0.783 -6.059 514 HD22 LEU 64 HD22 LEU 64 3.859 0.745 -5.326 515 HD23 LEU 64 HD23 LEU 64 2.825 -0.673 -5.175 516 H LEU 65 H LEU 65 2.604 -3.481 -1.503 517 HA LEU 65 HA LEU 65 1.580 -1.209 -0.206 518 HB2 LEU 65 HB3 LEU 65 0.881 -4.146 0.215 519 HB3 LEU 65 HB2 LEU 65 -0.065 -2.811 0.858 520 HG LEU 65 HG LEU 65 0.349 -3.407 -2.101 521 HD11 LEU 65 HD11 LEU 65 -2.127 -3.799 -0.393 522 HD12 LEU 65 HD12 LEU 65 -1.093 -5.077 -1.036 523 HD13 LEU 65 HD13 LEU 65 -2.014 -4.058 -2.139 524 HD21 LEU 65 HD21 LEU 65 -1.368 -1.275 -0.787 525 HD22 LEU 65 HD22 LEU 65 -1.330 -1.658 -2.512 526 HD23 LEU 65 HD23 LEU 65 0.104 -1.005 -1.728 527 H ASP 66 H ASP 66 3.136 -4.106 1.144 528 HA ASP 66 HA ASP 66 3.153 -3.375 3.871 529 HB2 ASP 66 HB3 ASP 66 3.509 -5.694 3.054 530 HB3 ASP 66 HB2 ASP 66 5.053 -5.224 2.354 531 H ILE 67 H ILE 67 5.482 -2.713 1.261 532 HA ILE 67 HA ILE 67 7.542 -1.551 2.853 533 HB ILE 67 HB ILE 67 6.882 -1.183 -0.105 534 HG12 ILE 67 HG12 ILE 67 9.037 -2.875 1.254 535 HG13 ILE 67 HG11 ILE 67 7.510 -3.505 0.648 536 HG21 ILE 67 HG21 ILE 67 9.196 -0.291 -0.384 537 HG22 ILE 67 HG22 ILE 67 9.397 -0.296 1.370 538 HG23 ILE 67 HG23 ILE 67 8.200 0.762 0.624 539 HD11 ILE 67 HD11 ILE 67 9.706 -2.267 -0.999 540 HD12 ILE 67 HD12 ILE 67 8.168 -2.871 -1.624 541 HD13 ILE 67 HD13 ILE 67 9.312 -3.980 -0.871 542 H LEU 68 H LEU 68 4.824 -0.036 1.047 543 HA LEU 68 HA LEU 68 5.545 2.649 1.751 544 HB2 LEU 68 HB3 LEU 68 2.877 1.641 0.718 545 HB3 LEU 68 HB2 LEU 68 3.427 3.311 0.718 546 HG LEU 68 HG LEU 68 4.526 1.030 -0.973 547 HD11 LEU 68 HD11 LEU 68 3.031 3.537 -1.795 548 HD12 LEU 68 HD12 LEU 68 2.393 1.890 -1.781 549 HD13 LEU 68 HD13 LEU 68 3.696 2.315 -2.887 550 HD21 LEU 68 HD21 LEU 68 6.395 2.452 -0.310 551 HD22 LEU 68 HD22 LEU 68 5.529 3.891 -0.851 552 HD23 LEU 68 HD23 LEU 68 6.034 2.669 -2.020 553 H GLN 69 H GLN 69 3.549 0.174 3.218 554 HA GLN 69 HA GLN 69 1.931 1.506 5.028 555 HB2 GLN 69 HB3 GLN 69 2.405 -1.094 4.538 556 HB3 GLN 69 HB2 GLN 69 3.413 -0.968 5.965 557 HG2 GLN 69 HG3 GLN 69 0.424 -0.453 5.822 558 HG3 GLN 69 HG2 GLN 69 1.201 -1.889 6.480 559 HE21 GLN 69 HE21 GLN 69 2.358 -1.671 8.469 560 HE22 GLN 69 HE22 GLN 69 1.985 -0.401 9.577 561 H ARG 70 H ARG 70 5.444 1.117 5.202 562 HA ARG 70 HA ARG 70 5.973 1.685 7.893 563 HB2 ARG 70 HB3 ARG 70 8.237 2.202 7.252 564 HB3 ARG 70 HB2 ARG 70 7.677 0.924 6.183 565 HG2 ARG 70 HG3 ARG 70 7.264 2.647 4.410 566 HG3 ARG 70 HG2 ARG 70 7.938 3.874 5.482 567 HD2 ARG 70 HD3 ARG 70 9.454 1.437 4.467 568 HD3 ARG 70 HD2 ARG 70 9.560 3.051 3.761 569 HE ARG 70 HE ARG 70 10.478 2.309 6.476 570 HH11 ARG 70 HH11 ARG 70 10.773 4.369 3.697 571 HH12 ARG 70 HH12 ARG 70 12.125 5.215 4.354 572 HH21 ARG 70 HH21 ARG 70 12.232 3.405 7.259 573 HH22 ARG 70 HH22 ARG 70 12.934 4.685 6.331 574 H THR 71 H THR 71 4.948 3.906 5.363 575 HA THR 71 HA THR 71 5.699 6.295 6.927 576 HB THR 71 HB THR 71 5.027 7.611 4.944 577 HG1 THR 71 HG1 THR 71 4.608 5.224 3.496 578 HG21 THR 71 HG21 THR 71 6.833 5.284 4.172 579 HG22 THR 71 HG22 THR 71 7.350 6.766 4.978 580 HG23 THR 71 HG23 THR 71 6.730 6.831 3.327 581 H GLY 72 H GLY 72 3.215 4.255 7.241 582 HA2 GLY 72 HA3 GLY 72 1.143 4.393 8.212 583 HA3 GLY 72 HA2 GLY 72 1.512 6.068 8.591 584 H HIS 73 H HIS 73 0.066 7.470 7.762 585 HA HIS 73 HA HIS 73 -1.864 6.702 5.758 586 HB2 HIS 73 HB2 HIS 73 -2.316 8.196 7.780 587 HB3 HIS 73 HB1 HIS 73 -1.463 9.486 6.945 588 HD2 HIS 73 HD2 HIS 73 -2.957 10.870 5.120 589 HE1 HIS 73 HE1 HIS 73 -6.400 8.431 5.300 590 HE2 HIS 73 HE2 HIS 73 -5.471 10.661 4.556 591 H LYS 74 H LYS 74 1.187 8.304 5.683 592 HA LYS 74 HA LYS 74 0.909 10.058 3.495 593 HB2 LYS 74 HB3 LYS 74 2.742 10.190 5.107 594 HB3 LYS 74 HB2 LYS 74 3.353 8.621 4.594 595 HG2 LYS 74 HG3 LYS 74 3.835 9.567 2.354 596 HG3 LYS 74 HG2 LYS 74 3.270 11.145 2.914 597 HD2 LYS 74 HD3 LYS 74 5.079 11.240 4.564 598 HD3 LYS 74 HD2 LYS 74 5.596 9.604 4.132 599 HE2 LYS 74 HE3 LYS 74 7.030 11.334 3.100 600 HE3 LYS 74 HE2 LYS 74 6.204 10.350 1.890 601 HZ1 LYS 74 HZ1 LYS 74 4.558 12.144 1.664 602 HZ2 LYS 74 HZ2 LYS 74 6.120 12.647 1.276 603 HZ3 LYS 74 HZ3 LYS 74 5.441 13.086 2.757 604 H GLY 75 H GLY 75 2.189 6.703 3.577 605 HA2 GLY 75 HA3 GLY 75 2.639 6.358 0.810 606 HA3 GLY 75 HA2 GLY 75 2.368 5.063 1.967 607 H TYR 76 H TYR 76 -0.239 5.837 2.780 608 HA TYR 76 HA TYR 76 -1.922 4.669 0.850 609 HB2 TYR 76 HB2 TYR 76 -2.509 4.574 3.198 610 HB3 TYR 76 HB1 TYR 76 -2.538 6.329 3.328 611 HD1 TYR 76 HD1 TYR 76 -4.679 7.282 3.441 612 HD2 TYR 76 HD2 TYR 76 -4.194 3.658 1.234 613 HE1 TYR 76 HE1 TYR 76 -7.084 7.264 2.950 614 HE2 TYR 76 HE2 TYR 76 -6.604 3.636 0.745 615 HH TYR 76 HH TYR 76 -8.694 4.563 1.617 616 H VAL 77 H VAL 77 -1.372 8.119 1.687 617 HA VAL 77 HA VAL 77 -3.221 9.287 -0.101 618 HB VAL 77 HB VAL 77 -0.577 10.428 0.928 619 HG11 VAL 77 HG11 VAL 77 -1.259 11.657 -1.098 620 HG12 VAL 77 HG12 VAL 77 -1.478 12.669 0.328 621 HG13 VAL 77 HG13 VAL 77 -2.875 11.901 -0.430 622 HG21 VAL 77 HG21 VAL 77 -2.188 9.904 2.721 623 HG22 VAL 77 HG22 VAL 77 -3.428 10.857 1.906 624 HG23 VAL 77 HG23 VAL 77 -1.987 11.649 2.553 625 H ALA 78 H ALA 78 0.252 8.529 -0.560 626 HA ALA 78 HA ALA 78 0.529 9.363 -3.243 627 HB1 ALA 78 HB1 ALA 78 2.436 8.841 -1.780 628 HB2 ALA 78 HB2 ALA 78 2.529 7.955 -3.303 629 HB3 ALA 78 HB3 ALA 78 2.011 7.129 -1.829 630 H PHE 79 H PHE 79 -0.529 6.263 -1.883 631 HA PHE 79 HA PHE 79 -0.809 4.797 -4.298 632 HB2 PHE 79 HB2 PHE 79 -0.762 3.848 -1.954 633 HB3 PHE 79 HB1 PHE 79 -2.385 4.474 -1.704 634 HD1 PHE 79 HD1 PHE 79 -4.317 3.306 -2.605 635 HD2 PHE 79 HD2 PHE 79 -0.360 2.003 -3.588 636 HE1 PHE 79 HE1 PHE 79 -5.224 1.218 -3.542 637 HE2 PHE 79 HE2 PHE 79 -1.281 -0.076 -4.515 638 HZ PHE 79 HZ PHE 79 -3.710 -0.470 -4.495 639 H LEU 80 H LEU 80 -3.058 6.903 -2.503 640 HA LEU 80 HA LEU 80 -5.357 6.626 -4.138 641 HB2 LEU 80 HB3 LEU 80 -4.469 8.993 -2.452 642 HB3 LEU 80 HB2 LEU 80 -6.066 8.827 -3.170 643 HG LEU 80 HG LEU 80 -4.900 6.992 -1.043 644 HD11 LEU 80 HD11 LEU 80 -5.384 9.202 -0.146 645 HD12 LEU 80 HD12 LEU 80 -6.539 8.020 0.462 646 HD13 LEU 80 HD13 LEU 80 -7.019 9.142 -0.813 647 HD21 LEU 80 HD21 LEU 80 -7.675 7.011 -2.277 648 HD22 LEU 80 HD22 LEU 80 -7.160 6.018 -0.911 649 HD23 LEU 80 HD23 LEU 80 -6.441 5.767 -2.499 650 H GLU 81 H GLU 81 -2.592 8.839 -4.304 651 HA GLU 81 HA GLU 81 -3.459 10.463 -6.448 652 HB2 GLU 81 HB3 GLU 81 -0.629 9.744 -5.570 653 HB3 GLU 81 HB2 GLU 81 -1.029 11.037 -6.696 654 HG2 GLU 81 HG3 GLU 81 -1.884 10.914 -3.791 655 HG3 GLU 81 HG2 GLU 81 -0.541 11.860 -4.422 656 H SER 82 H SER 82 -1.412 7.539 -6.379 657 HA SER 82 HA SER 82 -0.942 7.160 -9.111 658 HB2 SER 82 HB3 SER 82 0.226 5.814 -7.463 659 HB3 SER 82 HB2 SER 82 -1.284 5.107 -6.889 660 HG SER 82 HG SER 82 -0.556 3.607 -8.250 661 H LEU 83 H LEU 83 -3.650 5.891 -7.145 662 HA LEU 83 HA LEU 83 -5.040 4.573 -9.207 663 HB2 LEU 83 HB3 LEU 83 -5.942 5.729 -6.557 664 HB3 LEU 83 HB2 LEU 83 -7.071 4.936 -7.641 665 HG LEU 83 HG LEU 83 -4.662 3.624 -6.323 666 HD11 LEU 83 HD11 LEU 83 -7.638 3.219 -5.850 667 HD12 LEU 83 HD12 LEU 83 -6.509 4.014 -4.750 668 HD13 LEU 83 HD13 LEU 83 -6.335 2.294 -5.094 669 HD21 LEU 83 HD21 LEU 83 -6.720 2.454 -8.230 670 HD22 LEU 83 HD22 LEU 83 -5.522 1.526 -7.325 671 HD23 LEU 83 HD23 LEU 83 -4.995 2.681 -8.545 672 H GLU 84 H GLU 84 -5.813 7.776 -7.766 673 HA GLU 84 HA GLU 84 -7.910 8.474 -9.455 674 HB2 GLU 84 HB3 GLU 84 -7.409 9.583 -7.303 675 HB3 GLU 84 HB2 GLU 84 -5.969 10.316 -8.002 676 HG2 GLU 84 HG3 GLU 84 -7.369 11.634 -9.540 677 HG3 GLU 84 HG2 GLU 84 -8.819 10.866 -8.890 678 H LEU 85 H LEU 85 -4.414 8.945 -9.981 679 HA LEU 85 HA LEU 85 -4.721 10.566 -12.358 680 HB2 LEU 85 HB3 LEU 85 -2.713 10.424 -10.697 681 HB3 LEU 85 HB2 LEU 85 -2.229 9.004 -11.598 682 HG LEU 85 HG LEU 85 -2.517 11.790 -12.818 683 HD11 LEU 85 HD11 LEU 85 -0.066 11.922 -12.757 684 HD12 LEU 85 HD12 LEU 85 0.008 10.381 -11.896 685 HD13 LEU 85 HD13 LEU 85 -0.743 11.786 -11.136 686 HD21 LEU 85 HD21 LEU 85 -2.703 10.051 -14.531 687 HD22 LEU 85 HD22 LEU 85 -1.221 9.284 -13.960 688 HD23 LEU 85 HD23 LEU 85 -1.163 10.890 -14.695 689 H TYR 86 H TYR 86 -3.725 7.136 -11.823 690 HA TYR 86 HA TYR 86 -3.570 6.681 -14.712 691 HB2 TYR 86 HB2 TYR 86 -2.777 4.948 -12.337 692 HB3 TYR 86 HB1 TYR 86 -2.603 4.438 -14.013 693 HD1 TYR 86 HD1 TYR 86 -1.338 6.817 -11.436 694 HD2 TYR 86 HD2 TYR 86 -0.785 5.317 -15.404 695 HE1 TYR 86 HE1 TYR 86 0.875 7.886 -11.528 696 HE2 TYR 86 HE2 TYR 86 1.425 6.387 -15.491 697 HH TYR 86 HH TYR 86 2.615 8.232 -14.440 698 H TYR 87 H TYR 87 -5.343 5.196 -11.947 699 HA TYR 87 HA TYR 87 -7.335 4.076 -13.869 700 HB2 TYR 87 HB2 TYR 87 -6.659 2.799 -11.182 701 HB3 TYR 87 HB1 TYR 87 -7.584 2.102 -12.504 702 HD1 TYR 87 HD1 TYR 87 -4.321 2.402 -11.006 703 HD2 TYR 87 HD2 TYR 87 -6.308 1.519 -14.692 704 HE1 TYR 87 HE1 TYR 87 -2.291 1.291 -11.835 705 HE2 TYR 87 HE2 TYR 87 -4.275 0.404 -15.510 706 HH TYR 87 HH TYR 87 -1.856 -0.636 -13.649 707 HA PRO 88 HA PRO 88 -9.392 7.094 -10.769 708 HB2 PRO 88 HB3 PRO 88 -11.160 8.175 -12.654 709 HB3 PRO 88 HB2 PRO 88 -9.586 8.861 -12.230 710 HG2 PRO 88 HG3 PRO 88 -10.317 7.073 -14.546 711 HG3 PRO 88 HG2 PRO 88 -9.276 8.514 -14.527 712 HD2 PRO 88 HD3 PRO 88 -8.215 6.044 -14.554 713 HD3 PRO 88 HD2 PRO 88 -7.457 7.340 -13.600 714 H GLN 89 H GLN 89 -10.800 4.940 -13.242 715 HA GLN 89 HA GLN 89 -13.356 4.557 -12.134 716 HB2 GLN 89 HB3 GLN 89 -13.498 2.516 -13.456 717 HB3 GLN 89 HB2 GLN 89 -12.672 3.749 -14.399 718 HG2 GLN 89 HG3 GLN 89 -10.498 2.682 -13.904 719 HG3 GLN 89 HG2 GLN 89 -11.318 1.454 -12.941 720 HE21 GLN 89 HE21 GLN 89 -9.630 1.061 -15.265 721 HE22 GLN 89 HE22 GLN 89 -10.595 0.250 -16.442 722 H LEU 90 H LEU 90 -10.296 2.895 -11.435 723 HA LEU 90 HA LEU 90 -11.357 0.930 -9.644 724 HB2 LEU 90 HB3 LEU 90 -9.293 0.605 -10.979 725 HB3 LEU 90 HB2 LEU 90 -8.509 1.903 -10.100 726 HG LEU 90 HG LEU 90 -8.517 0.553 -8.033 727 HD11 LEU 90 HD11 LEU 90 -9.208 -1.805 -8.032 728 HD12 LEU 90 HD12 LEU 90 -9.840 -1.633 -9.671 729 HD13 LEU 90 HD13 LEU 90 -10.573 -0.734 -8.339 730 HD21 LEU 90 HD21 LEU 90 -7.378 -0.994 -10.390 731 HD22 LEU 90 HD22 LEU 90 -6.876 -1.142 -8.703 732 HD23 LEU 90 HD23 LEU 90 -6.596 0.363 -9.575 733 H TYR 91 H TYR 91 -9.597 3.999 -9.244 734 HA TYR 91 HA TYR 91 -9.337 4.278 -6.520 735 HB2 TYR 91 HB2 TYR 91 -8.443 5.893 -8.125 736 HB3 TYR 91 HB1 TYR 91 -10.060 6.390 -8.600 737 HD1 TYR 91 HD1 TYR 91 -7.586 6.504 -5.810 738 HD2 TYR 91 HD2 TYR 91 -11.243 8.094 -7.341 739 HE1 TYR 91 HE1 TYR 91 -7.533 8.270 -4.111 740 HE2 TYR 91 HE2 TYR 91 -11.183 9.853 -5.637 741 HH TYR 91 HH TYR 91 -10.168 10.143 -3.322 742 H LYS 92 H LYS 92 -12.182 5.275 -8.435 743 HA LYS 92 HA LYS 92 -13.677 6.265 -6.217 744 HB2 LYS 92 HB3 LYS 92 -14.536 5.606 -9.056 745 HB3 LYS 92 HB2 LYS 92 -15.537 6.468 -7.885 746 HG2 LYS 92 HG3 LYS 92 -13.854 8.272 -7.757 747 HG3 LYS 92 HG2 LYS 92 -12.839 7.418 -8.921 748 HD2 LYS 92 HD3 LYS 92 -15.633 8.505 -9.465 749 HD3 LYS 92 HD2 LYS 92 -14.122 9.267 -9.969 750 HE2 LYS 92 HE3 LYS 92 -13.616 7.214 -11.336 751 HE3 LYS 92 HE2 LYS 92 -15.215 6.590 -10.917 752 HZ1 LYS 92 HZ1 LYS 92 -15.244 7.660 -13.059 753 HZ2 LYS 92 HZ2 LYS 92 -14.647 9.096 -12.403 754 HZ3 LYS 92 HZ3 LYS 92 -16.188 8.549 -11.974 755 H LYS 93 H LYS 93 -13.297 3.043 -7.402 756 HA LYS 93 HA LYS 93 -15.719 2.060 -6.049 757 HB2 LYS 93 HB3 LYS 93 -13.591 0.606 -7.675 758 HB3 LYS 93 HB2 LYS 93 -14.999 -0.178 -6.953 759 HG2 LYS 93 HG3 LYS 93 -16.492 1.274 -8.328 760 HG3 LYS 93 HG2 LYS 93 -15.072 2.001 -9.082 761 HD2 LYS 93 HD3 LYS 93 -15.817 -0.949 -9.239 762 HD3 LYS 93 HD2 LYS 93 -16.160 0.244 -10.494 763 HE2 LYS 93 HE3 LYS 93 -13.734 0.622 -10.797 764 HE3 LYS 93 HE2 LYS 93 -13.388 -0.567 -9.538 765 HZ1 LYS 93 HZ1 LYS 93 -14.435 -2.257 -10.899 766 HZ2 LYS 93 HZ2 LYS 93 -13.181 -1.508 -11.747 767 HZ3 LYS 93 HZ3 LYS 93 -14.786 -1.117 -12.096 768 H VAL 94 H VAL 94 -12.202 2.061 -5.605 769 HA VAL 94 HA VAL 94 -12.175 0.229 -3.372 770 HB VAL 94 HB VAL 94 -10.024 2.134 -4.402 771 HG11 VAL 94 HG11 VAL 94 -9.567 1.619 -2.043 772 HG12 VAL 94 HG12 VAL 94 -8.397 0.798 -3.074 773 HG13 VAL 94 HG13 VAL 94 -9.735 -0.109 -2.362 774 HG21 VAL 94 HG21 VAL 94 -10.650 0.380 -6.019 775 HG22 VAL 94 HG22 VAL 94 -10.357 -0.867 -4.804 776 HG23 VAL 94 HG23 VAL 94 -9.017 0.113 -5.408 777 H THR 95 H THR 95 -12.023 3.780 -3.654 778 HA THR 95 HA THR 95 -12.425 4.039 -0.722 779 HB THR 95 HB THR 95 -10.093 4.596 -1.185 780 HG1 THR 95 HG1 THR 95 -10.129 6.714 -0.271 781 HG21 THR 95 HG21 THR 95 -10.259 5.283 -3.547 782 HG22 THR 95 HG22 THR 95 -9.457 6.525 -2.587 783 HG23 THR 95 HG23 THR 95 -11.138 6.740 -3.073 784 H GLY 96 H GLY 96 -13.071 5.441 -3.918 785 HA2 GLY 96 HA3 GLY 96 -15.126 6.384 -4.565 786 HA3 GLY 96 HA2 GLY 96 -15.547 6.641 -2.882 787 H LYS 97 H LYS 97 -16.320 8.665 -3.897 788 HA LYS 97 HA LYS 97 -14.313 10.823 -3.668 789 HB2 LYS 97 HB3 LYS 97 -16.472 10.567 -5.799 790 HB3 LYS 97 HB2 LYS 97 -15.666 12.090 -5.454 791 HG2 LYS 97 HG3 LYS 97 -13.959 9.714 -6.158 792 HG3 LYS 97 HG2 LYS 97 -14.889 10.474 -7.443 793 HD2 LYS 97 HD3 LYS 97 -12.618 11.375 -7.397 794 HD3 LYS 97 HD2 LYS 97 -13.778 12.636 -6.995 795 HE2 LYS 97 HE3 LYS 97 -13.199 12.418 -4.612 796 HE3 LYS 97 HE2 LYS 97 -12.075 11.114 -4.988 797 HZ1 LYS 97 HZ1 LYS 97 -11.858 13.921 -5.927 798 HZ2 LYS 97 HZ2 LYS 97 -10.770 12.682 -6.290 799 HZ3 LYS 97 HZ3 LYS 97 -10.941 13.217 -4.697 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -0.680 12.914 22.470 2 H2 MET 1 HT2 MET 1 -1.519 11.502 22.865 3 H3 MET 1 HT3 MET 1 -1.648 12.152 21.312 4 HA MET 1 HA MET 1 0.656 11.719 20.866 5 HB2 MET 1 HB2 MET 1 0.680 10.449 23.642 6 HB3 MET 1 HB1 MET 1 1.999 10.350 22.479 7 HG2 MET 1 HG2 MET 1 2.510 12.018 24.155 8 HG3 MET 1 HG1 MET 1 2.263 12.812 22.597 9 HE1 MET 1 HE1 MET 1 1.902 15.223 23.636 10 HE2 MET 1 HE2 MET 1 2.254 14.574 25.240 11 HE3 MET 1 HE3 MET 1 0.811 15.555 24.982 12 H SER 2 H SER 2 0.977 9.962 19.572 13 HA SER 2 HA SER 2 0.704 8.058 18.419 14 HB2 SER 2 HB3 SER 2 0.336 5.953 19.480 15 HB3 SER 2 HB2 SER 2 1.149 6.947 20.685 16 HG SER 2 HG SER 2 -0.653 7.023 21.867 17 H ASP 3 H ASP 3 -1.946 9.791 19.367 18 HA ASP 3 HA ASP 3 -4.147 8.051 18.926 19 HB2 ASP 3 HB3 ASP 3 -4.281 10.032 20.370 20 HB3 ASP 3 HB2 ASP 3 -3.943 11.091 19.007 21 H TYR 4 H TYR 4 -2.690 10.603 16.881 22 HA TYR 4 HA TYR 4 -4.453 10.052 14.621 23 HB2 TYR 4 HB2 TYR 4 -2.112 11.982 14.941 24 HB3 TYR 4 HB1 TYR 4 -3.119 11.881 13.501 25 HD1 TYR 4 HD1 TYR 4 -5.449 12.722 13.527 26 HD2 TYR 4 HD2 TYR 4 -2.988 13.025 17.015 27 HE1 TYR 4 HE1 TYR 4 -7.033 14.323 14.507 28 HE2 TYR 4 HE2 TYR 4 -4.577 14.628 17.992 29 HH TYR 4 HH TYR 4 -7.691 15.145 16.734 30 H GLU 5 H GLU 5 -1.723 8.541 15.756 31 HA GLU 5 HA GLU 5 -0.358 8.012 13.214 32 HB2 GLU 5 HB3 GLU 5 0.226 7.105 16.071 33 HB3 GLU 5 HB2 GLU 5 1.257 6.761 14.685 34 HG2 GLU 5 HG3 GLU 5 1.773 9.109 14.396 35 HG3 GLU 5 HG2 GLU 5 0.586 9.569 15.617 36 H ASN 6 H ASN 6 -3.129 6.825 14.280 37 HA ASN 6 HA ASN 6 -2.701 3.938 14.255 38 HB2 ASN 6 HB3 ASN 6 -5.200 5.671 14.496 39 HB3 ASN 6 HB2 ASN 6 -5.233 3.910 14.541 40 HD21 ASN 6 HD21 ASN 6 -6.172 4.110 16.647 41 HD22 ASN 6 HD22 ASN 6 -5.183 4.441 18.021 42 H ASP 7 H ASP 7 -1.759 4.725 11.885 43 HA ASP 7 HA ASP 7 -3.789 4.832 9.804 44 HB2 ASP 7 HB3 ASP 7 -0.754 5.013 9.723 45 HB3 ASP 7 HB2 ASP 7 -1.788 5.195 8.305 46 H ASP 8 H ASP 8 -2.424 2.260 11.374 47 HA ASP 8 HA ASP 8 -2.152 0.324 9.332 48 HB2 ASP 8 HB3 ASP 8 -2.787 -1.315 11.129 49 HB3 ASP 8 HB2 ASP 8 -1.515 -0.200 11.612 50 H GLU 9 H GLU 9 -4.960 1.811 10.795 51 HA GLU 9 HA GLU 9 -7.059 0.225 9.756 52 HB2 GLU 9 HB3 GLU 9 -7.332 1.860 11.584 53 HB3 GLU 9 HB2 GLU 9 -7.003 3.186 10.476 54 HG2 GLU 9 HG3 GLU 9 -9.089 2.675 9.242 55 HG3 GLU 9 HG2 GLU 9 -9.405 1.327 10.338 56 H CYS 10 H CYS 10 -5.351 3.040 8.412 57 HA CYS 10 HA CYS 10 -6.891 3.665 6.173 58 HB2 CYS 10 HB3 CYS 10 -3.857 3.828 6.420 59 HB3 CYS 10 HB2 CYS 10 -4.843 4.726 5.271 60 H TRP 11 H TRP 11 -4.229 1.316 6.498 61 HA TRP 11 HA TRP 11 -4.413 0.354 3.762 62 HB2 TRP 11 HB2 TRP 11 -2.690 -0.547 6.115 63 HB3 TRP 11 HB1 TRP 11 -2.528 -1.150 4.461 64 HD1 TRP 11 HD1 TRP 11 -1.724 1.929 6.608 65 HE1 TRP 11 HE1 TRP 11 -0.305 3.562 5.224 66 HE3 TRP 11 HE3 TRP 11 -2.042 -0.381 2.058 67 HZ2 TRP 11 HZ2 TRP 11 0.545 3.848 2.552 68 HZ3 TRP 11 HZ3 TRP 11 -0.906 0.644 0.125 69 HH2 TRP 11 HH2 TRP 11 0.361 2.717 0.376 70 H SER 12 H SER 12 -5.599 -0.657 6.911 71 HA SER 12 HA SER 12 -6.214 -3.369 6.390 72 HB2 SER 12 HB3 SER 12 -6.264 -2.387 8.663 73 HB3 SER 12 HB2 SER 12 -7.683 -1.435 8.232 74 HG SER 12 HG SER 12 -7.807 -3.682 9.342 75 H VAL 13 H VAL 13 -7.942 -0.416 5.584 76 HA VAL 13 HA VAL 13 -10.357 -1.588 4.591 77 HB VAL 13 HB VAL 13 -9.072 1.111 3.960 78 HG11 VAL 13 HG11 VAL 13 -11.916 0.174 3.402 79 HG12 VAL 13 HG12 VAL 13 -10.685 0.548 2.196 80 HG13 VAL 13 HG13 VAL 13 -11.339 1.833 3.210 81 HG21 VAL 13 HG21 VAL 13 -11.271 0.418 5.956 82 HG22 VAL 13 HG22 VAL 13 -10.662 2.040 5.618 83 HG23 VAL 13 HG23 VAL 13 -9.606 0.840 6.363 84 H LEU 14 H LEU 14 -7.270 -0.700 3.072 85 HA LEU 14 HA LEU 14 -8.018 -1.110 0.347 86 HB2 LEU 14 HB3 LEU 14 -5.249 -1.152 1.598 87 HB3 LEU 14 HB2 LEU 14 -5.587 -1.013 -0.126 88 HG LEU 14 HG LEU 14 -6.290 1.045 2.010 89 HD11 LEU 14 HD11 LEU 14 -4.201 1.121 -0.180 90 HD12 LEU 14 HD12 LEU 14 -3.921 1.015 1.559 91 HD13 LEU 14 HD13 LEU 14 -4.636 2.469 0.875 92 HD21 LEU 14 HD21 LEU 14 -7.015 2.513 0.168 93 HD22 LEU 14 HD22 LEU 14 -8.009 1.064 0.263 94 HD23 LEU 14 HD23 LEU 14 -6.773 1.201 -0.990 95 H GLU 15 H GLU 15 -6.774 -3.260 2.835 96 HA GLU 15 HA GLU 15 -6.002 -5.516 1.389 97 HB2 GLU 15 HB3 GLU 15 -7.475 -5.474 4.055 98 HB3 GLU 15 HB2 GLU 15 -6.562 -6.840 3.420 99 HG2 GLU 15 HG3 GLU 15 -5.411 -4.139 4.194 100 HG3 GLU 15 HG2 GLU 15 -5.329 -5.607 5.160 101 H GLY 16 H GLY 16 -9.253 -4.398 2.219 102 HA2 GLY 16 HA3 GLY 16 -10.852 -6.565 1.460 103 HA3 GLY 16 HA2 GLY 16 -11.337 -4.879 1.387 104 H PHE 17 H PHE 17 -9.067 -4.364 -0.591 105 HA PHE 17 HA PHE 17 -10.195 -5.659 -3.015 106 HB2 PHE 17 HB2 PHE 17 -9.263 -2.762 -2.685 107 HB3 PHE 17 HB1 PHE 17 -9.705 -3.494 -4.226 108 HD1 PHE 17 HD1 PHE 17 -12.061 -3.977 -4.769 109 HD2 PHE 17 HD2 PHE 17 -11.007 -2.188 -1.023 110 HE1 PHE 17 HE1 PHE 17 -14.418 -3.385 -4.379 111 HE2 PHE 17 HE2 PHE 17 -13.367 -1.598 -0.648 112 HZ PHE 17 HZ PHE 17 -15.074 -2.199 -2.322 113 H ARG 18 H ARG 18 -7.670 -6.182 -1.231 114 HA ARG 18 HA ARG 18 -5.329 -5.262 -2.445 115 HB2 ARG 18 HB3 ARG 18 -5.139 -6.267 -0.285 116 HB3 ARG 18 HB2 ARG 18 -5.843 -7.781 -0.839 117 HG2 ARG 18 HG3 ARG 18 -3.842 -8.287 -2.155 118 HG3 ARG 18 HG2 ARG 18 -3.138 -6.724 -1.738 119 HD2 ARG 18 HD3 ARG 18 -3.863 -8.741 0.398 120 HD3 ARG 18 HD2 ARG 18 -2.329 -8.834 -0.465 121 HE ARG 18 HE ARG 18 -3.180 -6.520 1.184 122 HH11 ARG 18 HH11 ARG 18 -0.645 -8.543 -0.035 123 HH12 ARG 18 HH12 ARG 18 0.568 -7.772 0.924 124 HH21 ARG 18 HH21 ARG 18 -1.620 -5.558 2.391 125 HH22 ARG 18 HH22 ARG 18 0.016 -6.115 2.306 126 H VAL 19 H VAL 19 -6.987 -8.379 -3.147 127 HA VAL 19 HA VAL 19 -5.102 -9.337 -5.026 128 HB VAL 19 HB VAL 19 -6.842 -10.952 -5.769 129 HG11 VAL 19 HG11 VAL 19 -6.697 -10.624 -2.746 130 HG12 VAL 19 HG12 VAL 19 -5.511 -11.451 -3.757 131 HG13 VAL 19 HG13 VAL 19 -7.141 -12.104 -3.602 132 HG21 VAL 19 HG21 VAL 19 -9.098 -10.947 -4.726 133 HG22 VAL 19 HG22 VAL 19 -8.837 -9.492 -5.689 134 HG23 VAL 19 HG23 VAL 19 -8.729 -9.413 -3.929 135 H THR 20 H THR 20 -7.765 -7.090 -5.473 136 HA THR 20 HA THR 20 -7.678 -7.094 -8.369 137 HB THR 20 HB THR 20 -8.926 -5.104 -6.425 138 HG1 THR 20 HG1 THR 20 -10.308 -6.977 -8.046 139 HG21 THR 20 HG21 THR 20 -8.545 -4.004 -8.599 140 HG22 THR 20 HG22 THR 20 -10.263 -4.314 -8.352 141 HG23 THR 20 HG23 THR 20 -9.332 -5.351 -9.429 142 H LEU 21 H LEU 21 -6.446 -4.969 -5.768 143 HA LEU 21 HA LEU 21 -5.154 -2.969 -7.233 144 HB2 LEU 21 HB3 LEU 21 -4.311 -4.230 -4.590 145 HB3 LEU 21 HB2 LEU 21 -3.670 -2.714 -5.212 146 HG LEU 21 HG LEU 21 -6.592 -3.175 -4.477 147 HD11 LEU 21 HD11 LEU 21 -5.206 -3.257 -2.468 148 HD12 LEU 21 HD12 LEU 21 -6.164 -1.778 -2.499 149 HD13 LEU 21 HD13 LEU 21 -4.444 -1.722 -2.899 150 HD21 LEU 21 HD21 LEU 21 -6.331 -1.469 -6.215 151 HD22 LEU 21 HD22 LEU 21 -5.139 -0.617 -5.230 152 HD23 LEU 21 HD23 LEU 21 -6.813 -0.732 -4.688 153 H THR 22 H THR 22 -3.929 -6.133 -6.215 154 HA THR 22 HA THR 22 -1.264 -5.844 -7.141 155 HB THR 22 HB THR 22 -1.061 -8.289 -6.774 156 HG1 THR 22 HG1 THR 22 -2.913 -9.456 -6.107 157 HG21 THR 22 HG21 THR 22 -2.606 -6.903 -4.558 158 HG22 THR 22 HG22 THR 22 -0.863 -6.811 -4.816 159 HG23 THR 22 HG23 THR 22 -1.608 -8.348 -4.376 160 H SER 23 H SER 23 -4.207 -7.110 -8.640 161 HA SER 23 HA SER 23 -2.844 -8.193 -10.964 162 HB2 SER 23 HB3 SER 23 -4.914 -9.259 -10.120 163 HB3 SER 23 HB2 SER 23 -5.831 -7.799 -10.484 164 HG SER 23 HG SER 23 -4.410 -8.722 -12.645 165 H VAL 24 H VAL 24 -4.417 -5.106 -10.192 166 HA VAL 24 HA VAL 24 -4.482 -4.312 -13.043 167 HB VAL 24 HB VAL 24 -5.632 -2.844 -10.629 168 HG11 VAL 24 HG11 VAL 24 -5.997 -2.266 -13.603 169 HG12 VAL 24 HG12 VAL 24 -5.102 -1.263 -12.459 170 HG13 VAL 24 HG13 VAL 24 -6.848 -1.446 -12.290 171 HG21 VAL 24 HG21 VAL 24 -6.799 -4.982 -11.060 172 HG22 VAL 24 HG22 VAL 24 -7.045 -4.519 -12.746 173 HG23 VAL 24 HG23 VAL 24 -7.838 -3.610 -11.457 174 H ILE 25 H ILE 25 -3.094 -3.002 -9.958 175 HA ILE 25 HA ILE 25 -2.050 -0.623 -11.174 176 HB ILE 25 HB ILE 25 -1.166 -1.888 -8.536 177 HG12 ILE 25 HG12 ILE 25 -3.302 0.253 -8.971 178 HG13 ILE 25 HG11 ILE 25 -3.641 -1.443 -8.633 179 HG21 ILE 25 HG21 ILE 25 -0.427 0.400 -7.898 180 HG22 ILE 25 HG22 ILE 25 -0.872 0.995 -9.498 181 HG23 ILE 25 HG23 ILE 25 0.437 -0.175 -9.326 182 HD11 ILE 25 HD11 ILE 25 -3.873 -0.065 -6.654 183 HD12 ILE 25 HD12 ILE 25 -2.198 0.462 -6.787 184 HD13 ILE 25 HD13 ILE 25 -2.570 -1.234 -6.452 185 H ASP 26 H ASP 26 -0.346 -0.610 -12.617 186 HA ASP 26 HA ASP 26 1.909 -2.422 -12.352 187 HB2 ASP 26 HB3 ASP 26 1.356 -0.071 -14.191 188 HB3 ASP 26 HB2 ASP 26 2.928 -0.864 -14.155 189 HA PRO 27 HA PRO 27 3.484 0.460 -9.186 190 HB2 PRO 27 HB3 PRO 27 5.269 -1.200 -8.000 191 HB3 PRO 27 HB2 PRO 27 3.526 -1.403 -7.777 192 HG2 PRO 27 HG3 PRO 27 5.386 -2.896 -9.627 193 HG3 PRO 27 HG2 PRO 27 4.104 -3.537 -8.573 194 HD2 PRO 27 HD3 PRO 27 3.766 -3.087 -11.273 195 HD3 PRO 27 HD2 PRO 27 2.432 -3.036 -10.101 196 H SER 28 H SER 28 5.357 -1.302 -11.553 197 HA SER 28 HA SER 28 7.848 0.063 -11.347 198 HB2 SER 28 HB3 SER 28 6.648 -1.492 -13.673 199 HB3 SER 28 HB2 SER 28 8.356 -1.087 -13.465 200 HG SER 28 HG SER 28 8.555 -2.614 -12.006 201 H ARG 29 H ARG 29 4.909 0.538 -13.206 202 HA ARG 29 HA ARG 29 5.817 2.552 -14.988 203 HB2 ARG 29 HB3 ARG 29 3.758 1.059 -15.184 204 HB3 ARG 29 HB2 ARG 29 2.971 2.077 -13.990 205 HG2 ARG 29 HG3 ARG 29 4.039 3.254 -16.571 206 HG3 ARG 29 HG2 ARG 29 2.482 2.429 -16.537 207 HD2 ARG 29 HD3 ARG 29 1.608 4.027 -14.938 208 HD3 ARG 29 HD2 ARG 29 3.187 4.797 -14.764 209 HE ARG 29 HE ARG 29 1.406 4.957 -17.104 210 HH11 ARG 29 HH11 ARG 29 4.254 6.093 -15.484 211 HH12 ARG 29 HH12 ARG 29 4.435 7.446 -16.541 212 HH21 ARG 29 HH21 ARG 29 1.664 6.685 -18.434 213 HH22 ARG 29 HH22 ARG 29 2.973 7.784 -18.183 214 H ILE 30 H ILE 30 4.748 2.597 -11.652 215 HA ILE 30 HA ILE 30 4.652 5.563 -11.612 216 HB ILE 30 HB ILE 30 3.240 5.431 -9.626 217 HG12 ILE 30 HG12 ILE 30 3.412 2.384 -9.839 218 HG13 ILE 30 HG11 ILE 30 4.264 3.346 -8.640 219 HG21 ILE 30 HG21 ILE 30 1.205 4.390 -10.599 220 HG22 ILE 30 HG22 ILE 30 2.196 3.582 -11.815 221 HG23 ILE 30 HG23 ILE 30 2.086 5.343 -11.796 222 HD11 ILE 30 HD11 ILE 30 2.078 4.090 -7.746 223 HD12 ILE 30 HD12 ILE 30 2.348 2.345 -7.644 224 HD13 ILE 30 HD13 ILE 30 1.286 2.996 -8.893 225 H THR 31 H THR 31 7.041 3.419 -11.075 226 HA THR 31 HA THR 31 7.980 3.905 -8.467 227 HB THR 31 HB THR 31 10.352 3.504 -9.360 228 HG1 THR 31 HG1 THR 31 10.559 3.745 -11.425 229 HG21 THR 31 HG21 THR 31 10.009 1.116 -9.811 230 HG22 THR 31 HG22 THR 31 8.277 1.400 -10.012 231 HG23 THR 31 HG23 THR 31 9.037 1.659 -8.441 232 HA PRO 32 HA PRO 32 10.304 7.996 -10.140 233 HB2 PRO 32 HB3 PRO 32 8.807 9.341 -12.086 234 HB3 PRO 32 HB2 PRO 32 10.229 8.348 -12.429 235 HG2 PRO 32 HG3 PRO 32 7.310 7.584 -12.572 236 HG3 PRO 32 HG2 PRO 32 8.612 7.256 -13.739 237 HD2 PRO 32 HD3 PRO 32 7.823 5.344 -12.057 238 HD3 PRO 32 HD2 PRO 32 9.554 5.554 -12.403 239 H TYR 33 H TYR 33 6.776 7.607 -10.259 240 HA TYR 33 HA TYR 33 6.049 10.121 -9.141 241 HB2 TYR 33 HB2 TYR 33 4.560 8.626 -10.559 242 HB3 TYR 33 HB1 TYR 33 4.393 7.556 -9.172 243 HD1 TYR 33 HD1 TYR 33 2.481 7.885 -7.773 244 HD2 TYR 33 HD2 TYR 33 3.985 11.183 -10.064 245 HE1 TYR 33 HE1 TYR 33 0.626 9.308 -6.977 246 HE2 TYR 33 HE2 TYR 33 2.137 12.584 -9.273 247 HH TYR 33 HH TYR 33 0.249 11.860 -6.681 248 H LEU 34 H LEU 34 6.384 6.861 -7.735 249 HA LEU 34 HA LEU 34 5.605 7.559 -5.079 250 HB2 LEU 34 HB3 LEU 34 7.216 5.171 -6.056 251 HB3 LEU 34 HB2 LEU 34 6.525 5.333 -4.448 252 HG LEU 34 HG LEU 34 4.972 5.049 -7.054 253 HD11 LEU 34 HD11 LEU 34 4.266 2.878 -6.158 254 HD12 LEU 34 HD12 LEU 34 5.274 3.120 -4.728 255 HD13 LEU 34 HD13 LEU 34 6.018 2.964 -6.321 256 HD21 LEU 34 HD21 LEU 34 3.877 5.349 -4.231 257 HD22 LEU 34 HD22 LEU 34 2.928 4.961 -5.669 258 HD23 LEU 34 HD23 LEU 34 3.730 6.523 -5.542 259 H ARG 35 H ARG 35 8.746 7.444 -6.761 260 HA ARG 35 HA ARG 35 10.283 7.916 -4.363 261 HB2 ARG 35 HB3 ARG 35 11.054 7.904 -7.287 262 HB3 ARG 35 HB2 ARG 35 12.192 8.396 -6.034 263 HG2 ARG 35 HG3 ARG 35 11.381 6.034 -4.966 264 HG3 ARG 35 HG2 ARG 35 11.125 5.671 -6.673 265 HD2 ARG 35 HD3 ARG 35 13.378 4.980 -5.795 266 HD3 ARG 35 HD2 ARG 35 13.457 6.078 -7.170 267 HE ARG 35 HE ARG 35 14.707 7.437 -5.857 268 HH11 ARG 35 HH11 ARG 35 12.576 5.842 -3.622 269 HH12 ARG 35 HH12 ARG 35 13.256 6.647 -2.260 270 HH21 ARG 35 HH21 ARG 35 15.559 8.399 -4.082 271 HH22 ARG 35 HH22 ARG 35 14.920 8.055 -2.513 272 H GLN 36 H GLN 36 9.089 10.127 -6.959 273 HA GLN 36 HA GLN 36 10.368 12.430 -5.799 274 HB2 GLN 36 HB3 GLN 36 9.029 13.815 -7.308 275 HB3 GLN 36 HB2 GLN 36 9.742 12.467 -8.165 276 HG2 GLN 36 HG3 GLN 36 7.636 12.571 -9.116 277 HG3 GLN 36 HG2 GLN 36 7.404 11.342 -7.885 278 HE21 GLN 36 HE21 GLN 36 6.772 14.684 -8.745 279 HE22 GLN 36 HE22 GLN 36 5.425 14.900 -7.691 280 H CYS 37 H CYS 37 7.468 10.695 -5.048 281 HA CYS 37 HA CYS 37 6.527 12.659 -3.105 282 HB2 CYS 37 HB3 CYS 37 4.930 11.180 -4.299 283 HB3 CYS 37 HB2 CYS 37 5.670 9.775 -3.534 284 HG CYS 37 HG CYS 37 3.099 11.149 -2.496 285 H LYS 38 H LYS 38 8.934 10.243 -3.200 286 HA LYS 38 HA LYS 38 10.403 9.366 -1.755 287 HB2 LYS 38 HB3 LYS 38 9.319 11.533 0.077 288 HB3 LYS 38 HB2 LYS 38 10.586 10.436 0.606 289 HG2 LYS 38 HG3 LYS 38 11.649 12.447 -0.122 290 HG3 LYS 38 HG2 LYS 38 11.989 11.206 -1.328 291 HD2 LYS 38 HD3 LYS 38 10.117 12.165 -2.730 292 HD3 LYS 38 HD2 LYS 38 9.974 13.474 -1.555 293 HE2 LYS 38 HE3 LYS 38 12.464 12.836 -3.173 294 HE3 LYS 38 HE2 LYS 38 11.309 14.115 -3.548 295 HZ1 LYS 38 HZ1 LYS 38 11.839 15.171 -1.461 296 HZ2 LYS 38 HZ2 LYS 38 13.245 14.952 -2.379 297 HZ3 LYS 38 HZ3 LYS 38 12.923 13.935 -1.068 298 H VAL 39 H VAL 39 7.311 8.566 -1.608 299 HA VAL 39 HA VAL 39 7.147 7.213 0.945 300 HB VAL 39 HB VAL 39 5.000 6.280 0.141 301 HG11 VAL 39 HG11 VAL 39 5.301 9.262 -0.420 302 HG12 VAL 39 HG12 VAL 39 5.016 8.523 1.157 303 HG13 VAL 39 HG13 VAL 39 3.778 8.427 -0.094 304 HG21 VAL 39 HG21 VAL 39 4.082 6.903 -2.090 305 HG22 VAL 39 HG22 VAL 39 5.534 5.913 -2.242 306 HG23 VAL 39 HG23 VAL 39 5.625 7.653 -2.513 307 H LEU 40 H LEU 40 8.313 6.376 -2.227 308 HA LEU 40 HA LEU 40 8.677 3.538 -1.542 309 HB2 LEU 40 HB3 LEU 40 8.039 4.260 -3.886 310 HB3 LEU 40 HB2 LEU 40 9.602 5.048 -4.027 311 HG LEU 40 HG LEU 40 10.678 2.763 -3.632 312 HD11 LEU 40 HD11 LEU 40 9.297 0.763 -4.009 313 HD12 LEU 40 HD12 LEU 40 7.844 1.766 -4.029 314 HD13 LEU 40 HD13 LEU 40 8.813 1.639 -2.558 315 HD21 LEU 40 HD21 LEU 40 8.944 2.951 -6.117 316 HD22 LEU 40 HD22 LEU 40 10.399 1.969 -5.905 317 HD23 LEU 40 HD23 LEU 40 10.518 3.725 -5.900 318 H ASN 41 H ASN 41 10.656 2.664 -0.952 319 HA ASN 41 HA ASN 41 12.806 4.360 -0.062 320 HB2 ASN 41 HB3 ASN 41 12.782 1.321 -0.367 321 HB3 ASN 41 HB2 ASN 41 13.926 2.260 0.584 322 HD21 ASN 41 HD21 ASN 41 10.694 0.999 0.426 323 HD22 ASN 41 HD22 ASN 41 10.260 1.342 2.059 324 HA PRO 42 HA PRO 42 15.312 4.649 -3.787 325 HB2 PRO 42 HB3 PRO 42 17.905 4.428 -2.804 326 HB3 PRO 42 HB2 PRO 42 16.919 5.890 -2.666 327 HG2 PRO 42 HG3 PRO 42 17.348 3.695 -0.630 328 HG3 PRO 42 HG2 PRO 42 17.399 5.458 -0.398 329 HD2 PRO 42 HD3 PRO 42 15.223 4.048 0.293 330 HD3 PRO 42 HD2 PRO 42 15.052 5.656 -0.449 331 H ASP 43 H ASP 43 16.315 2.020 -1.612 332 HA ASP 43 HA ASP 43 17.430 0.315 -3.637 333 HB2 ASP 43 HB3 ASP 43 17.578 -1.344 -1.775 334 HB3 ASP 43 HB2 ASP 43 18.266 0.219 -1.348 335 H ASP 44 H ASP 44 14.212 0.715 -2.270 336 HA ASP 44 HA ASP 44 13.091 -1.769 -2.937 337 HB2 ASP 44 HB3 ASP 44 12.198 0.422 -1.549 338 HB3 ASP 44 HB2 ASP 44 11.268 0.608 -3.013 339 H GLU 45 H GLU 45 13.597 1.119 -4.866 340 HA GLU 45 HA GLU 45 11.821 0.650 -6.974 341 HB2 GLU 45 HB3 GLU 45 13.098 2.772 -6.627 342 HB3 GLU 45 HB2 GLU 45 14.565 1.962 -7.168 343 HG2 GLU 45 HG3 GLU 45 13.579 1.614 -9.389 344 HG3 GLU 45 HG2 GLU 45 12.068 2.341 -8.852 345 H GLU 46 H GLU 46 14.995 -0.797 -6.333 346 HA GLU 46 HA GLU 46 15.274 -2.172 -8.831 347 HB2 GLU 46 HB3 GLU 46 17.166 -1.718 -7.236 348 HB3 GLU 46 HB2 GLU 46 16.492 -2.923 -6.143 349 HG2 GLU 46 HG3 GLU 46 16.811 -4.662 -7.882 350 HG3 GLU 46 HG2 GLU 46 17.498 -3.447 -8.959 351 H GLN 47 H GLN 47 13.785 -3.029 -5.720 352 HA GLN 47 HA GLN 47 13.150 -5.749 -6.248 353 HB2 GLN 47 HB3 GLN 47 13.063 -4.879 -3.968 354 HB3 GLN 47 HB2 GLN 47 11.833 -3.703 -4.399 355 HG2 GLN 47 HG3 GLN 47 11.183 -6.627 -4.727 356 HG3 GLN 47 HG2 GLN 47 11.246 -5.971 -3.100 357 HE21 GLN 47 HE21 GLN 47 10.126 -3.371 -3.750 358 HE22 GLN 47 HE22 GLN 47 8.462 -3.634 -4.101 359 H VAL 48 H VAL 48 11.378 -2.734 -6.786 360 HA VAL 48 HA VAL 48 9.032 -3.920 -7.922 361 HB VAL 48 HB VAL 48 9.997 -1.034 -8.170 362 HG11 VAL 48 HG11 VAL 48 8.211 -1.585 -9.752 363 HG12 VAL 48 HG12 VAL 48 7.594 -0.515 -8.493 364 HG13 VAL 48 HG13 VAL 48 7.222 -2.240 -8.446 365 HG21 VAL 48 HG21 VAL 48 9.858 -1.677 -5.780 366 HG22 VAL 48 HG22 VAL 48 8.202 -2.238 -6.014 367 HG23 VAL 48 HG23 VAL 48 8.588 -0.524 -6.196 368 H LEU 49 H LEU 49 12.055 -2.637 -9.311 369 HA LEU 49 HA LEU 49 11.160 -3.190 -12.076 370 HB2 LEU 49 HB3 LEU 49 13.677 -1.817 -11.045 371 HB3 LEU 49 HB2 LEU 49 13.281 -2.037 -12.745 372 HG LEU 49 HG LEU 49 11.630 -0.386 -10.783 373 HD11 LEU 49 HD11 LEU 49 13.807 0.669 -11.226 374 HD12 LEU 49 HD12 LEU 49 12.481 1.590 -11.929 375 HD13 LEU 49 HD13 LEU 49 13.504 0.586 -12.965 376 HD21 LEU 49 HD21 LEU 49 10.267 -1.336 -12.600 377 HD22 LEU 49 HD22 LEU 49 11.369 -0.658 -13.801 378 HD23 LEU 49 HD23 LEU 49 10.418 0.412 -12.768 379 H SER 50 H SER 50 11.933 -5.293 -9.981 380 HA SER 50 HA SER 50 14.317 -6.601 -11.010 381 HB2 SER 50 HB3 SER 50 13.625 -6.765 -8.607 382 HB3 SER 50 HB2 SER 50 12.189 -7.664 -9.092 383 HG SER 50 HG SER 50 14.670 -8.623 -9.960 384 H ASP 51 H ASP 51 11.653 -6.205 -12.660 385 HA ASP 51 HA ASP 51 11.319 -8.978 -13.636 386 HB2 ASP 51 HB3 ASP 51 9.507 -8.226 -12.029 387 HB3 ASP 51 HB2 ASP 51 9.078 -6.968 -13.172 388 HA PRO 52 HA PRO 52 12.063 -6.517 -17.476 389 HB2 PRO 52 HB3 PRO 52 12.467 -8.675 -19.142 390 HB3 PRO 52 HB2 PRO 52 13.715 -8.034 -18.066 391 HG2 PRO 52 HG3 PRO 52 11.867 -10.386 -17.633 392 HG3 PRO 52 HG2 PRO 52 13.618 -10.277 -17.348 393 HD2 PRO 52 HD3 PRO 52 11.832 -10.034 -15.326 394 HD3 PRO 52 HD2 PRO 52 13.349 -9.106 -15.341 395 H ASN 53 H ASN 53 9.785 -9.297 -17.247 396 HA ASN 53 HA ASN 53 8.247 -8.389 -19.577 397 HB2 ASN 53 HB3 ASN 53 7.891 -10.794 -17.749 398 HB3 ASN 53 HB2 ASN 53 6.859 -10.451 -19.139 399 HD21 ASN 53 HD21 ASN 53 8.528 -12.775 -18.691 400 HD22 ASN 53 HD22 ASN 53 9.637 -12.838 -20.010 401 H LEU 54 H LEU 54 8.086 -8.122 -16.143 402 HA LEU 54 HA LEU 54 6.732 -7.118 -14.677 403 HB2 LEU 54 HB3 LEU 54 5.763 -5.668 -17.146 404 HB3 LEU 54 HB2 LEU 54 5.290 -5.208 -15.510 405 HG LEU 54 HG LEU 54 8.195 -5.349 -16.436 406 HD11 LEU 54 HD11 LEU 54 7.041 -3.594 -17.693 407 HD12 LEU 54 HD12 LEU 54 8.189 -2.915 -16.543 408 HD13 LEU 54 HD13 LEU 54 6.460 -2.877 -16.185 409 HD21 LEU 54 HD21 LEU 54 6.975 -4.164 -13.923 410 HD22 LEU 54 HD22 LEU 54 8.680 -4.101 -14.379 411 HD23 LEU 54 HD23 LEU 54 7.923 -5.652 -14.030 412 H VAL 55 H VAL 55 5.952 -9.621 -15.793 413 HA VAL 55 HA VAL 55 3.044 -9.775 -15.692 414 HB VAL 55 HB VAL 55 4.302 -11.214 -17.249 415 HG11 VAL 55 HG11 VAL 55 5.720 -13.088 -16.466 416 HG12 VAL 55 HG12 VAL 55 5.539 -12.536 -14.800 417 HG13 VAL 55 HG13 VAL 55 6.385 -11.525 -15.975 418 HG21 VAL 55 HG21 VAL 55 2.902 -12.862 -15.105 419 HG22 VAL 55 HG22 VAL 55 3.213 -13.383 -16.763 420 HG23 VAL 55 HG23 VAL 55 2.117 -12.036 -16.453 421 H ILE 56 H ILE 56 5.739 -10.212 -13.487 422 HA ILE 56 HA ILE 56 4.281 -11.574 -11.370 423 HB ILE 56 HB ILE 56 7.000 -10.187 -11.148 424 HG12 ILE 56 HG12 ILE 56 7.034 -11.733 -13.106 425 HG13 ILE 56 HG11 ILE 56 8.100 -12.282 -11.821 426 HG21 ILE 56 HG21 ILE 56 5.860 -12.531 -9.580 427 HG22 ILE 56 HG22 ILE 56 6.112 -10.892 -8.980 428 HG23 ILE 56 HG23 ILE 56 7.499 -11.891 -9.412 429 HD11 ILE 56 HD11 ILE 56 5.353 -13.391 -12.397 430 HD12 ILE 56 HD12 ILE 56 6.490 -13.977 -11.178 431 HD13 ILE 56 HD13 ILE 56 6.888 -14.105 -12.889 432 H ARG 57 H ARG 57 3.497 -8.806 -12.459 433 HA ARG 57 HA ARG 57 3.608 -6.672 -10.777 434 HB2 ARG 57 HB3 ARG 57 2.451 -6.672 -12.953 435 HB3 ARG 57 HB2 ARG 57 1.216 -7.756 -12.326 436 HG2 ARG 57 HG3 ARG 57 0.659 -5.876 -10.649 437 HG3 ARG 57 HG2 ARG 57 1.653 -4.836 -11.671 438 HD2 ARG 57 HD3 ARG 57 -0.781 -6.398 -12.613 439 HD3 ARG 57 HD2 ARG 57 -0.794 -4.694 -12.158 440 HE ARG 57 HE ARG 57 1.009 -4.606 -14.074 441 HH11 ARG 57 HH11 ARG 57 -1.953 -6.406 -14.111 442 HH12 ARG 57 HH12 ARG 57 -2.168 -6.191 -15.809 443 HH21 ARG 57 HH21 ARG 57 0.671 -4.314 -16.226 444 HH22 ARG 57 HH22 ARG 57 -0.716 -5.015 -16.989 445 H LYS 58 H LYS 58 1.488 -9.499 -10.441 446 HA LYS 58 HA LYS 58 -0.148 -8.673 -8.332 447 HB2 LYS 58 HB3 LYS 58 0.735 -11.479 -9.097 448 HB3 LYS 58 HB2 LYS 58 -0.599 -11.115 -8.001 449 HG2 LYS 58 HG3 LYS 58 -1.854 -10.048 -9.795 450 HG3 LYS 58 HG2 LYS 58 -0.489 -10.220 -10.903 451 HD2 LYS 58 HD3 LYS 58 -2.211 -11.927 -11.346 452 HD3 LYS 58 HD2 LYS 58 -0.699 -12.670 -10.825 453 HE2 LYS 58 HE3 LYS 58 -1.637 -12.953 -8.541 454 HE3 LYS 58 HE2 LYS 58 -3.152 -12.222 -9.075 455 HZ1 LYS 58 HZ1 LYS 58 -3.214 -14.651 -9.029 456 HZ2 LYS 58 HZ2 LYS 58 -1.982 -14.714 -10.188 457 HZ3 LYS 58 HZ3 LYS 58 -3.483 -14.042 -10.583 458 H ARG 59 H ARG 59 2.922 -10.521 -8.161 459 HA ARG 59 HA ARG 59 3.060 -10.626 -5.309 460 HB2 ARG 59 HB3 ARG 59 4.363 -12.163 -6.733 461 HB3 ARG 59 HB2 ARG 59 5.288 -10.808 -7.370 462 HG2 ARG 59 HG3 ARG 59 6.216 -10.390 -5.094 463 HG3 ARG 59 HG2 ARG 59 5.321 -11.786 -4.489 464 HD2 ARG 59 HD3 ARG 59 6.610 -13.271 -5.963 465 HD3 ARG 59 HD2 ARG 59 7.461 -11.882 -6.652 466 HE ARG 59 HE ARG 59 7.679 -12.731 -3.821 467 HH11 ARG 59 HH11 ARG 59 9.204 -11.497 -6.669 468 HH12 ARG 59 HH12 ARG 59 10.723 -11.289 -5.880 469 HH21 ARG 59 HH21 ARG 59 9.630 -12.464 -2.848 470 HH22 ARG 59 HH22 ARG 59 10.962 -11.836 -3.752 471 H LYS 60 H LYS 60 4.468 -8.382 -7.730 472 HA LYS 60 HA LYS 60 6.130 -6.908 -6.013 473 HB2 LYS 60 HB3 LYS 60 4.796 -5.989 -8.591 474 HB3 LYS 60 HB2 LYS 60 6.075 -5.101 -7.763 475 HG2 LYS 60 HG3 LYS 60 7.505 -7.225 -8.028 476 HG3 LYS 60 HG2 LYS 60 6.269 -7.787 -9.156 477 HD2 LYS 60 HD3 LYS 60 7.845 -5.196 -9.432 478 HD3 LYS 60 HD2 LYS 60 8.231 -6.697 -10.273 479 HE2 LYS 60 HE3 LYS 60 5.581 -5.245 -10.593 480 HE3 LYS 60 HE2 LYS 60 6.976 -4.968 -11.637 481 HZ1 LYS 60 HZ1 LYS 60 6.923 -7.275 -12.290 482 HZ2 LYS 60 HZ2 LYS 60 5.422 -6.556 -12.588 483 HZ3 LYS 60 HZ3 LYS 60 5.625 -7.573 -11.254 484 H VAL 61 H VAL 61 2.747 -6.106 -6.979 485 HA VAL 61 HA VAL 61 2.596 -3.722 -5.386 486 HB VAL 61 HB VAL 61 0.266 -5.381 -6.442 487 HG11 VAL 61 HG11 VAL 61 -1.040 -3.263 -6.318 488 HG12 VAL 61 HG12 VAL 61 0.344 -2.459 -5.571 489 HG13 VAL 61 HG13 VAL 61 -0.473 -3.776 -4.726 490 HG21 VAL 61 HG21 VAL 61 1.742 -4.744 -8.289 491 HG22 VAL 61 HG22 VAL 61 1.697 -3.057 -7.773 492 HG23 VAL 61 HG23 VAL 61 0.229 -3.836 -8.372 493 H GLY 62 H GLY 62 1.604 -7.111 -4.828 494 HA2 GLY 62 HA3 GLY 62 0.209 -6.852 -2.405 495 HA3 GLY 62 HA2 GLY 62 1.103 -8.278 -2.908 496 H VAL 63 H VAL 63 3.679 -7.432 -2.918 497 HA VAL 63 HA VAL 63 4.459 -7.236 -0.163 498 HB VAL 63 HB VAL 63 6.152 -6.848 -2.685 499 HG11 VAL 63 HG11 VAL 63 7.291 -5.891 -0.720 500 HG12 VAL 63 HG12 VAL 63 8.115 -7.354 -1.252 501 HG13 VAL 63 HG13 VAL 63 7.071 -7.399 0.172 502 HG21 VAL 63 HG21 VAL 63 5.739 -9.364 -1.008 503 HG22 VAL 63 HG22 VAL 63 6.843 -9.210 -2.377 504 HG23 VAL 63 HG23 VAL 63 5.104 -9.083 -2.632 505 H LEU 64 H LEU 64 4.224 -4.906 -2.841 506 HA LEU 64 HA LEU 64 5.571 -2.729 -1.664 507 HB2 LEU 64 HB3 LEU 64 5.046 -2.934 -4.098 508 HB3 LEU 64 HB2 LEU 64 3.359 -2.609 -3.741 509 HG LEU 64 HG LEU 64 4.018 -0.340 -2.867 510 HD11 LEU 64 HD11 LEU 64 6.771 -1.031 -3.934 511 HD12 LEU 64 HD12 LEU 64 6.329 -0.815 -2.237 512 HD13 LEU 64 HD13 LEU 64 6.247 0.550 -3.345 513 HD21 LEU 64 HD21 LEU 64 3.189 -0.563 -5.166 514 HD22 LEU 64 HD22 LEU 64 4.830 -0.860 -5.747 515 HD23 LEU 64 HD23 LEU 64 4.407 0.706 -5.052 516 H LEU 65 H LEU 65 2.147 -3.697 -1.361 517 HA LEU 65 HA LEU 65 1.088 -1.350 -0.194 518 HB2 LEU 65 HB3 LEU 65 0.309 -4.257 0.277 519 HB3 LEU 65 HB2 LEU 65 -0.641 -2.886 0.834 520 HG LEU 65 HG LEU 65 -0.072 -3.564 -2.084 521 HD11 LEU 65 HD11 LEU 65 -2.439 -4.144 -2.260 522 HD12 LEU 65 HD12 LEU 65 -2.666 -3.838 -0.535 523 HD13 LEU 65 HD13 LEU 65 -1.630 -5.164 -1.070 524 HD21 LEU 65 HD21 LEU 65 -0.279 -1.139 -1.751 525 HD22 LEU 65 HD22 LEU 65 -1.830 -1.367 -0.937 526 HD23 LEU 65 HD23 LEU 65 -1.655 -1.777 -2.646 527 H ASP 66 H ASP 66 2.655 -4.148 1.281 528 HA ASP 66 HA ASP 66 2.550 -3.408 4.014 529 HB2 ASP 66 HB3 ASP 66 2.971 -5.710 3.124 530 HB3 ASP 66 HB2 ASP 66 4.549 -5.191 2.550 531 H ILE 67 H ILE 67 4.859 -2.695 1.437 532 HA ILE 67 HA ILE 67 6.929 -1.550 3.084 533 HB ILE 67 HB ILE 67 6.460 -1.553 0.076 534 HG12 ILE 67 HG12 ILE 67 8.438 -3.131 1.795 535 HG13 ILE 67 HG11 ILE 67 6.938 -3.774 1.137 536 HG21 ILE 67 HG21 ILE 67 8.926 -0.535 1.545 537 HG22 ILE 67 HG22 ILE 67 7.807 0.431 0.581 538 HG23 ILE 67 HG23 ILE 67 8.815 -0.786 -0.198 539 HD11 ILE 67 HD11 ILE 67 8.876 -4.497 -0.132 540 HD12 ILE 67 HD12 ILE 67 9.312 -2.820 -0.469 541 HD13 ILE 67 HD13 ILE 67 7.817 -3.498 -1.127 542 H LEU 68 H LEU 68 4.343 -0.150 1.044 543 HA LEU 68 HA LEU 68 5.012 2.594 1.522 544 HB2 LEU 68 HB3 LEU 68 2.389 1.358 0.612 545 HB3 LEU 68 HB2 LEU 68 2.740 3.079 0.599 546 HG LEU 68 HG LEU 68 4.125 0.969 -1.112 547 HD11 LEU 68 HD11 LEU 68 2.972 2.018 -3.011 548 HD12 LEU 68 HD12 LEU 68 2.128 3.113 -1.913 549 HD13 LEU 68 HD13 LEU 68 1.823 1.376 -1.837 550 HD21 LEU 68 HD21 LEU 68 4.513 3.985 -1.131 551 HD22 LEU 68 HD22 LEU 68 5.231 2.839 -2.266 552 HD23 LEU 68 HD23 LEU 68 5.685 2.791 -0.565 553 H GLN 69 H GLN 69 2.898 0.217 3.098 554 HA GLN 69 HA GLN 69 1.539 1.733 4.991 555 HB2 GLN 69 HB3 GLN 69 1.232 -0.699 4.612 556 HB3 GLN 69 HB2 GLN 69 2.789 -1.021 5.363 557 HG2 GLN 69 HG3 GLN 69 1.914 -0.157 7.515 558 HG3 GLN 69 HG2 GLN 69 0.350 0.140 6.751 559 HE21 GLN 69 HE21 GLN 69 1.068 -1.616 8.996 560 HE22 GLN 69 HE22 GLN 69 0.520 -3.191 8.557 561 H ARG 70 H ARG 70 4.945 0.883 4.956 562 HA ARG 70 HA ARG 70 5.618 1.423 7.666 563 HB2 ARG 70 HB3 ARG 70 7.470 1.657 5.267 564 HB3 ARG 70 HB2 ARG 70 7.941 1.379 6.942 565 HG2 ARG 70 HG3 ARG 70 6.430 -0.554 5.151 566 HG3 ARG 70 HG2 ARG 70 8.134 -0.656 5.590 567 HD2 ARG 70 HD3 ARG 70 7.459 -0.974 7.981 568 HD3 ARG 70 HD2 ARG 70 5.766 -0.955 7.473 569 HE ARG 70 HE ARG 70 6.016 -3.057 6.506 570 HH11 ARG 70 HH11 ARG 70 9.077 -1.999 7.753 571 HH12 ARG 70 HH12 ARG 70 9.826 -3.535 7.497 572 HH21 ARG 70 HH21 ARG 70 7.022 -5.013 6.197 573 HH22 ARG 70 HH22 ARG 70 8.685 -5.209 6.647 574 H THR 71 H THR 71 4.919 3.609 5.029 575 HA THR 71 HA THR 71 6.292 5.912 6.232 576 HB THR 71 HB THR 71 5.402 7.262 4.418 577 HG1 THR 71 HG1 THR 71 4.012 5.192 3.189 578 HG21 THR 71 HG21 THR 71 6.225 4.547 3.321 579 HG22 THR 71 HG22 THR 71 7.320 5.856 3.775 580 HG23 THR 71 HG23 THR 71 6.215 6.065 2.416 581 H GLY 72 H GLY 72 3.451 4.278 6.930 582 HA2 GLY 72 HA3 GLY 72 1.815 4.782 8.495 583 HA3 GLY 72 HA2 GLY 72 2.383 6.443 8.556 584 H HIS 73 H HIS 73 1.302 7.996 7.361 585 HA HIS 73 HA HIS 73 -1.185 7.121 6.023 586 HB2 HIS 73 HB2 HIS 73 -1.320 8.669 8.018 587 HB3 HIS 73 HB1 HIS 73 -0.513 9.909 7.060 588 HD2 HIS 73 HD2 HIS 73 -2.112 11.195 5.192 589 HE1 HIS 73 HE1 HIS 73 -5.679 9.153 6.171 590 HE2 HIS 73 HE2 HIS 73 -4.656 10.987 4.771 591 H LYS 74 H LYS 74 1.778 8.980 5.396 592 HA LYS 74 HA LYS 74 0.852 10.489 3.183 593 HB2 LYS 74 HB3 LYS 74 2.940 11.023 4.441 594 HB3 LYS 74 HB2 LYS 74 3.720 9.615 3.722 595 HG2 LYS 74 HG3 LYS 74 3.344 10.627 1.451 596 HG3 LYS 74 HG2 LYS 74 2.690 12.064 2.241 597 HD2 LYS 74 HD3 LYS 74 4.884 12.454 3.328 598 HD3 LYS 74 HD2 LYS 74 5.527 11.004 2.546 599 HE2 LYS 74 HE3 LYS 74 5.102 12.038 0.325 600 HE3 LYS 74 HE2 LYS 74 4.514 13.497 1.128 601 HZ1 LYS 74 HZ1 LYS 74 6.828 13.643 0.378 602 HZ2 LYS 74 HZ2 LYS 74 7.247 12.392 1.437 603 HZ3 LYS 74 HZ3 LYS 74 6.675 13.860 2.048 604 H GLY 75 H GLY 75 2.378 7.280 3.317 605 HA2 GLY 75 HA3 GLY 75 2.613 6.731 0.556 606 HA3 GLY 75 HA2 GLY 75 2.447 5.532 1.828 607 H TYR 76 H TYR 76 -0.100 6.318 2.782 608 HA TYR 76 HA TYR 76 -1.924 5.005 1.058 609 HB2 TYR 76 HB2 TYR 76 -2.255 5.019 3.473 610 HB3 TYR 76 HB1 TYR 76 -2.347 6.774 3.505 611 HD1 TYR 76 HD1 TYR 76 -4.488 7.797 3.509 612 HD2 TYR 76 HD2 TYR 76 -4.133 3.790 2.063 613 HE1 TYR 76 HE1 TYR 76 -6.932 7.652 3.304 614 HE2 TYR 76 HE2 TYR 76 -6.574 3.652 1.860 615 HH TYR 76 HH TYR 76 -8.588 6.321 1.956 616 H VAL 77 H VAL 77 -1.320 8.459 1.695 617 HA VAL 77 HA VAL 77 -3.390 9.546 0.069 618 HB VAL 77 HB VAL 77 -0.732 10.837 0.855 619 HG11 VAL 77 HG11 VAL 77 -3.313 12.153 -0.089 620 HG12 VAL 77 HG12 VAL 77 -1.806 12.055 -1.001 621 HG13 VAL 77 HG13 VAL 77 -1.876 13.006 0.482 622 HG21 VAL 77 HG21 VAL 77 -1.994 10.126 2.841 623 HG22 VAL 77 HG22 VAL 77 -3.430 10.968 2.259 624 HG23 VAL 77 HG23 VAL 77 -1.992 11.886 2.712 625 H ALA 78 H ALA 78 0.091 9.039 -0.571 626 HA ALA 78 HA ALA 78 0.149 9.837 -3.282 627 HB1 ALA 78 HB1 ALA 78 2.322 8.685 -3.383 628 HB2 ALA 78 HB2 ALA 78 1.978 7.881 -1.847 629 HB3 ALA 78 HB3 ALA 78 2.177 9.633 -1.901 630 H PHE 79 H PHE 79 -0.603 6.745 -1.760 631 HA PHE 79 HA PHE 79 -0.731 5.078 -4.047 632 HB2 PHE 79 HB2 PHE 79 -0.695 4.224 -1.711 633 HB3 PHE 79 HB1 PHE 79 -2.291 4.904 -1.426 634 HD1 PHE 79 HD1 PHE 79 -4.233 3.594 -1.893 635 HD2 PHE 79 HD2 PHE 79 -0.458 2.414 -3.529 636 HE1 PHE 79 HE1 PHE 79 -5.223 1.484 -2.676 637 HE2 PHE 79 HE2 PHE 79 -1.461 0.314 -4.303 638 HZ PHE 79 HZ PHE 79 -3.837 -0.153 -3.881 639 H LEU 80 H LEU 80 -3.318 6.878 -2.314 640 HA LEU 80 HA LEU 80 -5.420 6.372 -4.146 641 HB2 LEU 80 HB3 LEU 80 -5.046 8.679 -2.211 642 HB3 LEU 80 HB2 LEU 80 -6.532 8.376 -3.098 643 HG LEU 80 HG LEU 80 -5.315 6.586 -0.956 644 HD11 LEU 80 HD11 LEU 80 -6.379 8.589 -0.055 645 HD12 LEU 80 HD12 LEU 80 -7.329 7.159 0.334 646 HD13 LEU 80 HD13 LEU 80 -7.859 8.242 -0.955 647 HD21 LEU 80 HD21 LEU 80 -7.836 6.126 -2.598 648 HD22 LEU 80 HD22 LEU 80 -7.335 5.174 -1.197 649 HD23 LEU 80 HD23 LEU 80 -6.353 5.167 -2.658 650 H GLU 81 H GLU 81 -2.939 8.897 -4.122 651 HA GLU 81 HA GLU 81 -4.002 10.514 -6.218 652 HB2 GLU 81 HB3 GLU 81 -1.204 10.192 -5.088 653 HB3 GLU 81 HB2 GLU 81 -1.543 11.284 -6.427 654 HG2 GLU 81 HG3 GLU 81 -3.116 12.549 -5.005 655 HG3 GLU 81 HG2 GLU 81 -2.767 11.459 -3.658 656 H SER 82 H SER 82 -1.625 7.850 -6.193 657 HA SER 82 HA SER 82 -1.104 7.762 -8.977 658 HB2 SER 82 HB3 SER 82 0.350 6.619 -7.341 659 HB3 SER 82 HB2 SER 82 -0.951 5.495 -6.947 660 HG SER 82 HG SER 82 -0.318 4.355 -8.581 661 H LEU 83 H LEU 83 -3.555 6.113 -6.989 662 HA LEU 83 HA LEU 83 -4.808 4.605 -9.009 663 HB2 LEU 83 HB3 LEU 83 -5.960 5.822 -6.476 664 HB3 LEU 83 HB2 LEU 83 -6.874 4.761 -7.533 665 HG LEU 83 HG LEU 83 -4.429 4.013 -5.890 666 HD11 LEU 83 HD11 LEU 83 -6.481 4.168 -4.573 667 HD12 LEU 83 HD12 LEU 83 -5.973 2.489 -4.726 668 HD13 LEU 83 HD13 LEU 83 -7.317 3.093 -5.700 669 HD21 LEU 83 HD21 LEU 83 -4.751 1.708 -6.745 670 HD22 LEU 83 HD22 LEU 83 -4.275 2.836 -8.010 671 HD23 LEU 83 HD23 LEU 83 -5.957 2.311 -7.887 672 H GLU 84 H GLU 84 -5.594 7.895 -7.789 673 HA GLU 84 HA GLU 84 -7.790 8.426 -9.451 674 HB2 GLU 84 HB3 GLU 84 -7.227 9.763 -7.430 675 HB3 GLU 84 HB2 GLU 84 -5.818 10.416 -8.250 676 HG2 GLU 84 HG3 GLU 84 -7.474 12.111 -8.330 677 HG3 GLU 84 HG2 GLU 84 -7.384 11.446 -9.956 678 H LEU 85 H LEU 85 -4.331 9.027 -9.996 679 HA LEU 85 HA LEU 85 -4.685 10.549 -12.424 680 HB2 LEU 85 HB3 LEU 85 -2.783 10.673 -10.641 681 HB3 LEU 85 HB2 LEU 85 -2.082 9.302 -11.471 682 HG LEU 85 HG LEU 85 -2.607 11.996 -12.809 683 HD11 LEU 85 HD11 LEU 85 -0.201 12.468 -12.534 684 HD12 LEU 85 HD12 LEU 85 -0.012 10.991 -11.584 685 HD13 LEU 85 HD13 LEU 85 -1.016 12.310 -10.978 686 HD21 LEU 85 HD21 LEU 85 -0.873 9.662 -13.715 687 HD22 LEU 85 HD22 LEU 85 -0.998 11.227 -14.529 688 HD23 LEU 85 HD23 LEU 85 -2.402 10.169 -14.438 689 H TYR 86 H TYR 86 -3.395 7.259 -11.727 690 HA TYR 86 HA TYR 86 -2.939 6.779 -14.584 691 HB2 TYR 86 HB2 TYR 86 -2.127 5.143 -12.146 692 HB3 TYR 86 HB1 TYR 86 -1.655 4.788 -13.806 693 HD1 TYR 86 HD1 TYR 86 -1.026 6.974 -10.902 694 HD2 TYR 86 HD2 TYR 86 -0.014 6.285 -14.991 695 HE1 TYR 86 HE1 TYR 86 0.916 8.458 -10.667 696 HE2 TYR 86 HE2 TYR 86 1.933 7.766 -14.752 697 HH TYR 86 HH TYR 86 3.070 8.869 -11.729 698 H TYR 87 H TYR 87 -5.005 5.502 -11.981 699 HA TYR 87 HA TYR 87 -6.552 3.924 -13.972 700 HB2 TYR 87 HB2 TYR 87 -5.705 2.923 -11.213 701 HB3 TYR 87 HB1 TYR 87 -6.831 2.090 -12.276 702 HD1 TYR 87 HD1 TYR 87 -3.358 2.463 -11.397 703 HD2 TYR 87 HD2 TYR 87 -5.954 1.369 -14.617 704 HE1 TYR 87 HE1 TYR 87 -1.491 1.316 -12.519 705 HE2 TYR 87 HE2 TYR 87 -4.089 0.215 -15.724 706 HH TYR 87 HH TYR 87 -1.268 -0.615 -14.257 707 HA PRO 88 HA PRO 88 -8.914 7.155 -11.373 708 HB2 PRO 88 HB3 PRO 88 -10.525 7.308 -13.918 709 HB3 PRO 88 HB2 PRO 88 -9.907 8.614 -12.894 710 HG2 PRO 88 HG3 PRO 88 -8.710 8.061 -15.207 711 HG3 PRO 88 HG2 PRO 88 -7.729 8.443 -13.773 712 HD2 PRO 88 HD3 PRO 88 -8.326 5.747 -15.004 713 HD3 PRO 88 HD2 PRO 88 -6.791 6.378 -14.365 714 H GLN 89 H GLN 89 -10.427 4.706 -13.474 715 HA GLN 89 HA GLN 89 -12.914 4.539 -12.090 716 HB2 GLN 89 HB3 GLN 89 -13.289 2.467 -13.405 717 HB3 GLN 89 HB2 GLN 89 -12.745 3.810 -14.403 718 HG2 GLN 89 HG3 GLN 89 -10.439 2.849 -14.377 719 HG3 GLN 89 HG2 GLN 89 -11.058 1.472 -13.466 720 HE21 GLN 89 HE21 GLN 89 -10.998 3.053 -16.578 721 HE22 GLN 89 HE22 GLN 89 -11.654 1.735 -17.478 722 H LEU 90 H LEU 90 -9.868 2.731 -11.778 723 HA LEU 90 HA LEU 90 -10.724 0.756 -9.929 724 HB2 LEU 90 HB3 LEU 90 -8.601 0.573 -11.197 725 HB3 LEU 90 HB2 LEU 90 -7.958 1.962 -10.334 726 HG LEU 90 HG LEU 90 -8.095 0.629 -8.188 727 HD11 LEU 90 HD11 LEU 90 -8.360 -1.804 -8.291 728 HD12 LEU 90 HD12 LEU 90 -8.744 -1.707 -10.010 729 HD13 LEU 90 HD13 LEU 90 -9.825 -0.980 -8.818 730 HD21 LEU 90 HD21 LEU 90 -6.355 -0.595 -10.351 731 HD22 LEU 90 HD22 LEU 90 -6.106 -0.741 -8.611 732 HD23 LEU 90 HD23 LEU 90 -5.966 0.831 -9.390 733 H TYR 91 H TYR 91 -9.196 3.951 -9.493 734 HA TYR 91 HA TYR 91 -8.994 4.221 -6.764 735 HB2 TYR 91 HB2 TYR 91 -8.238 5.950 -8.287 736 HB3 TYR 91 HB1 TYR 91 -9.878 6.272 -8.831 737 HD1 TYR 91 HD1 TYR 91 -7.779 6.372 -5.694 738 HD2 TYR 91 HD2 TYR 91 -11.053 8.078 -7.848 739 HE1 TYR 91 HE1 TYR 91 -7.989 8.134 -3.995 740 HE2 TYR 91 HE2 TYR 91 -11.249 9.834 -6.150 741 HH TYR 91 HH TYR 91 -8.884 10.432 -3.805 742 H LYS 92 H LYS 92 -11.896 5.040 -8.686 743 HA LYS 92 HA LYS 92 -13.598 5.819 -6.589 744 HB2 LYS 92 HB3 LYS 92 -14.410 4.543 -9.234 745 HB3 LYS 92 HB2 LYS 92 -15.451 5.508 -8.188 746 HG2 LYS 92 HG3 LYS 92 -13.021 6.484 -9.722 747 HG3 LYS 92 HG2 LYS 92 -14.712 6.813 -10.108 748 HD2 LYS 92 HD3 LYS 92 -14.919 8.036 -7.918 749 HD3 LYS 92 HD2 LYS 92 -13.194 7.768 -7.643 750 HE2 LYS 92 HE3 LYS 92 -14.402 9.344 -9.944 751 HE3 LYS 92 HE2 LYS 92 -13.625 10.028 -8.517 752 HZ1 LYS 92 HZ1 LYS 92 -12.274 8.291 -10.514 753 HZ2 LYS 92 HZ2 LYS 92 -11.539 9.058 -9.194 754 HZ3 LYS 92 HZ3 LYS 92 -12.168 9.977 -10.463 755 H LYS 93 H LYS 93 -13.010 2.617 -7.991 756 HA LYS 93 HA LYS 93 -15.089 1.212 -6.643 757 HB2 LYS 93 HB3 LYS 93 -12.573 0.306 -8.067 758 HB3 LYS 93 HB2 LYS 93 -13.687 -0.842 -7.342 759 HG2 LYS 93 HG3 LYS 93 -14.763 1.154 -9.336 760 HG3 LYS 93 HG2 LYS 93 -13.836 -0.225 -9.921 761 HD2 LYS 93 HD3 LYS 93 -16.125 -0.895 -10.035 762 HD3 LYS 93 HD2 LYS 93 -15.453 -1.733 -8.642 763 HE2 LYS 93 HE3 LYS 93 -17.644 -0.949 -8.036 764 HE3 LYS 93 HE2 LYS 93 -16.482 0.063 -7.183 765 HZ1 LYS 93 HZ1 LYS 93 -18.258 1.368 -8.140 766 HZ2 LYS 93 HZ2 LYS 93 -17.900 0.785 -9.686 767 HZ3 LYS 93 HZ3 LYS 93 -16.786 1.763 -8.874 768 H VAL 94 H VAL 94 -11.628 1.642 -5.876 769 HA VAL 94 HA VAL 94 -11.585 -0.299 -3.757 770 HB VAL 94 HB VAL 94 -9.541 1.868 -4.427 771 HG11 VAL 94 HG11 VAL 94 -7.906 0.479 -3.161 772 HG12 VAL 94 HG12 VAL 94 -9.209 -0.609 -2.676 773 HG13 VAL 94 HG13 VAL 94 -9.203 1.064 -2.117 774 HG21 VAL 94 HG21 VAL 94 -9.941 0.295 -6.296 775 HG22 VAL 94 HG22 VAL 94 -9.600 -1.069 -5.230 776 HG23 VAL 94 HG23 VAL 94 -8.327 0.090 -5.618 777 H THR 95 H THR 95 -11.504 3.308 -3.676 778 HA THR 95 HA THR 95 -11.826 3.263 -0.745 779 HB THR 95 HB THR 95 -10.126 4.797 -1.521 780 HG1 THR 95 HG1 THR 95 -11.521 5.458 0.268 781 HG21 THR 95 HG21 THR 95 -10.638 6.781 -2.906 782 HG22 THR 95 HG22 THR 95 -12.283 6.184 -3.142 783 HG23 THR 95 HG23 THR 95 -10.914 5.276 -3.785 784 H GLY 96 H GLY 96 -13.887 3.414 -3.443 785 HA2 GLY 96 HA3 GLY 96 -16.189 3.302 -3.477 786 HA3 GLY 96 HA2 GLY 96 -16.196 3.478 -1.734 787 H LYS 97 H LYS 97 -15.705 5.403 -4.722 788 HA LYS 97 HA LYS 97 -17.535 7.476 -3.851 789 HB2 LYS 97 HB3 LYS 97 -15.903 9.320 -3.847 790 HB3 LYS 97 HB2 LYS 97 -15.473 8.111 -2.639 791 HG2 LYS 97 HG3 LYS 97 -13.836 7.162 -4.373 792 HG3 LYS 97 HG2 LYS 97 -14.134 8.629 -5.311 793 HD2 LYS 97 HD3 LYS 97 -13.000 8.480 -2.494 794 HD3 LYS 97 HD2 LYS 97 -12.093 8.833 -3.961 795 HE2 LYS 97 HE3 LYS 97 -13.449 10.916 -4.246 796 HE3 LYS 97 HE2 LYS 97 -14.244 10.569 -2.706 797 HZ1 LYS 97 HZ1 LYS 97 -11.362 11.100 -3.147 798 HZ2 LYS 97 HZ2 LYS 97 -12.020 10.601 -1.669 799 HZ3 LYS 97 HZ3 LYS 97 -12.470 12.091 -2.337 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 0.485 4.337 17.778 2 H2 MET 1 HT2 MET 1 0.315 2.655 17.702 3 H3 MET 1 HT3 MET 1 0.106 3.588 16.308 4 HA MET 1 HA MET 1 2.225 2.470 16.289 5 HB2 MET 1 HB2 MET 1 2.265 5.503 16.543 6 HB3 MET 1 HB1 MET 1 3.670 4.585 16.013 7 HG2 MET 1 HG2 MET 1 2.444 5.521 14.112 8 HG3 MET 1 HG1 MET 1 2.434 3.760 14.072 9 HE1 MET 1 HE1 MET 1 0.168 6.310 16.178 10 HE2 MET 1 HE2 MET 1 -1.241 6.383 15.119 11 HE3 MET 1 HE3 MET 1 0.306 7.027 14.571 12 H SER 2 H SER 2 2.705 1.208 18.103 13 HA SER 2 HA SER 2 4.725 2.350 19.886 14 HB2 SER 2 HB3 SER 2 2.646 2.695 21.175 15 HB3 SER 2 HB2 SER 2 2.229 0.992 21.002 16 HG SER 2 HG SER 2 3.352 1.817 23.020 17 H ASP 3 H ASP 3 2.815 -0.687 20.056 18 HA ASP 3 HA ASP 3 5.306 -2.264 19.885 19 HB2 ASP 3 HB3 ASP 3 3.954 -2.605 21.917 20 HB3 ASP 3 HB2 ASP 3 2.543 -3.007 20.941 21 H TYR 4 H TYR 4 1.966 -2.187 18.567 22 HA TYR 4 HA TYR 4 2.780 -3.697 16.176 23 HB2 TYR 4 HB2 TYR 4 2.166 -5.416 17.886 24 HB3 TYR 4 HB1 TYR 4 0.565 -4.695 18.028 25 HD1 TYR 4 HD1 TYR 4 -1.144 -5.815 16.828 26 HD2 TYR 4 HD2 TYR 4 2.847 -5.955 15.309 27 HE1 TYR 4 HE1 TYR 4 -1.905 -7.223 14.954 28 HE2 TYR 4 HE2 TYR 4 2.087 -7.357 13.450 29 HH TYR 4 HH TYR 4 0.277 -8.871 12.900 30 H GLU 5 H GLU 5 0.065 -2.212 17.937 31 HA GLU 5 HA GLU 5 -1.664 -1.704 15.787 32 HB2 GLU 5 HB3 GLU 5 -2.387 0.326 17.440 33 HB3 GLU 5 HB2 GLU 5 -2.837 -1.340 17.725 34 HG2 GLU 5 HG3 GLU 5 -2.108 -0.177 19.775 35 HG3 GLU 5 HG2 GLU 5 -1.124 -1.593 19.417 36 H ASN 6 H ASN 6 -1.030 -0.711 13.943 37 HA ASN 6 HA ASN 6 0.109 2.029 14.109 38 HB2 ASN 6 HB3 ASN 6 0.841 -0.189 12.134 39 HB3 ASN 6 HB2 ASN 6 1.264 1.502 11.881 40 HD21 ASN 6 HD21 ASN 6 1.963 -1.363 13.744 41 HD22 ASN 6 HD22 ASN 6 3.398 -0.761 14.485 42 H ASP 7 H ASP 7 -0.072 2.604 11.335 43 HA ASP 7 HA ASP 7 -2.899 3.171 11.064 44 HB2 ASP 7 HB3 ASP 7 -0.948 4.761 10.575 45 HB3 ASP 7 HB2 ASP 7 -0.677 3.845 9.101 46 H ASP 8 H ASP 8 -1.690 0.321 10.642 47 HA ASP 8 HA ASP 8 -2.053 -0.531 7.999 48 HB2 ASP 8 HB3 ASP 8 -2.293 -2.823 9.025 49 HB3 ASP 8 HB2 ASP 8 -0.875 -1.930 9.558 50 H GLU 9 H GLU 9 -4.472 0.466 10.221 51 HA GLU 9 HA GLU 9 -6.831 -0.770 9.433 52 HB2 GLU 9 HB3 GLU 9 -6.368 2.192 9.999 53 HB3 GLU 9 HB2 GLU 9 -7.939 1.387 10.026 54 HG2 GLU 9 HG3 GLU 9 -7.241 0.024 11.932 55 HG3 GLU 9 HG2 GLU 9 -5.622 0.727 11.873 56 H CYS 10 H CYS 10 -5.234 2.022 7.902 57 HA CYS 10 HA CYS 10 -7.047 2.446 5.761 58 HB2 CYS 10 HB3 CYS 10 -4.095 3.166 5.963 59 HB3 CYS 10 HB2 CYS 10 -5.264 3.882 4.845 60 H TRP 11 H TRP 11 -4.088 0.552 6.041 61 HA TRP 11 HA TRP 11 -3.963 -0.294 3.287 62 HB2 TRP 11 HB2 TRP 11 -2.505 -1.428 5.717 63 HB3 TRP 11 HB1 TRP 11 -2.071 -1.676 4.024 64 HD1 TRP 11 HD1 TRP 11 -1.859 0.934 6.816 65 HE1 TRP 11 HE1 TRP 11 -0.286 2.814 6.093 66 HE3 TRP 11 HE3 TRP 11 -1.139 -0.414 1.930 67 HZ2 TRP 11 HZ2 TRP 11 1.079 3.643 3.788 68 HZ3 TRP 11 HZ3 TRP 11 0.318 0.995 0.534 69 HH2 TRP 11 HH2 TRP 11 1.400 2.980 1.443 70 H SER 12 H SER 12 -5.660 -1.394 6.098 71 HA SER 12 HA SER 12 -6.258 -4.068 5.187 72 HB2 SER 12 HB3 SER 12 -6.424 -3.500 7.583 73 HB3 SER 12 HB2 SER 12 -7.702 -2.333 7.245 74 HG SER 12 HG SER 12 -8.921 -4.021 7.642 75 H VAL 13 H VAL 13 -7.826 -0.890 4.927 76 HA VAL 13 HA VAL 13 -10.180 -1.676 3.537 77 HB VAL 13 HB VAL 13 -8.674 0.978 3.337 78 HG11 VAL 13 HG11 VAL 13 -10.861 1.953 2.651 79 HG12 VAL 13 HG12 VAL 13 -11.568 0.335 2.632 80 HG13 VAL 13 HG13 VAL 13 -10.281 0.749 1.497 81 HG21 VAL 13 HG21 VAL 13 -10.240 1.801 5.078 82 HG22 VAL 13 HG22 VAL 13 -9.247 0.470 5.673 83 HG23 VAL 13 HG23 VAL 13 -10.930 0.179 5.223 84 H LEU 14 H LEU 14 -6.940 -0.691 2.405 85 HA LEU 14 HA LEU 14 -7.315 -1.082 -0.379 86 HB2 LEU 14 HB3 LEU 14 -4.755 -1.411 1.237 87 HB3 LEU 14 HB2 LEU 14 -4.843 -1.239 -0.513 88 HG LEU 14 HG LEU 14 -5.528 0.879 1.561 89 HD11 LEU 14 HD11 LEU 14 -3.282 0.765 -0.473 90 HD12 LEU 14 HD12 LEU 14 -3.133 0.537 1.271 91 HD13 LEU 14 HD13 LEU 14 -3.621 2.103 0.631 92 HD21 LEU 14 HD21 LEU 14 -5.776 1.070 -1.463 93 HD22 LEU 14 HD22 LEU 14 -5.934 2.416 -0.332 94 HD23 LEU 14 HD23 LEU 14 -7.097 1.097 -0.291 95 H GLU 15 H GLU 15 -6.337 -3.302 2.223 96 HA GLU 15 HA GLU 15 -5.716 -5.536 0.618 97 HB2 GLU 15 HB3 GLU 15 -4.962 -5.336 2.949 98 HB3 GLU 15 HB2 GLU 15 -6.620 -5.498 3.518 99 HG2 GLU 15 HG3 GLU 15 -6.733 -7.790 2.800 100 HG3 GLU 15 HG2 GLU 15 -5.218 -7.648 1.908 101 H GLY 16 H GLY 16 -8.785 -4.360 1.859 102 HA2 GLY 16 HA3 GLY 16 -10.511 -6.489 1.309 103 HA3 GLY 16 HA2 GLY 16 -10.942 -4.791 1.223 104 H PHE 17 H PHE 17 -8.857 -4.354 -0.931 105 HA PHE 17 HA PHE 17 -10.143 -5.708 -3.255 106 HB2 PHE 17 HB2 PHE 17 -9.048 -2.856 -3.064 107 HB3 PHE 17 HB1 PHE 17 -9.594 -3.613 -4.556 108 HD1 PHE 17 HD1 PHE 17 -11.981 -4.022 -4.965 109 HD2 PHE 17 HD2 PHE 17 -10.659 -2.070 -1.394 110 HE1 PHE 17 HE1 PHE 17 -14.274 -3.256 -4.527 111 HE2 PHE 17 HE2 PHE 17 -12.960 -1.307 -0.968 112 HZ PHE 17 HZ PHE 17 -14.770 -1.900 -2.532 113 H ARG 18 H ARG 18 -7.582 -6.340 -1.597 114 HA ARG 18 HA ARG 18 -5.279 -5.309 -2.825 115 HB2 ARG 18 HB3 ARG 18 -5.507 -6.553 -0.581 116 HB3 ARG 18 HB2 ARG 18 -5.333 -8.036 -1.494 117 HG2 ARG 18 HG3 ARG 18 -3.099 -7.338 -2.244 118 HG3 ARG 18 HG2 ARG 18 -3.290 -5.791 -1.413 119 HD2 ARG 18 HD3 ARG 18 -3.590 -7.158 0.744 120 HD3 ARG 18 HD2 ARG 18 -3.026 -8.548 -0.187 121 HE ARG 18 HE ARG 18 -1.009 -6.956 -0.633 122 HH11 ARG 18 HH11 ARG 18 -2.658 -7.380 2.389 123 HH12 ARG 18 HH12 ARG 18 -1.283 -6.897 3.312 124 HH21 ARG 18 HH21 ARG 18 0.737 -6.369 0.611 125 HH22 ARG 18 HH22 ARG 18 0.593 -6.348 2.329 126 H VAL 19 H VAL 19 -6.932 -8.408 -3.489 127 HA VAL 19 HA VAL 19 -5.160 -9.486 -5.372 128 HB VAL 19 HB VAL 19 -6.943 -10.820 -4.349 129 HG11 VAL 19 HG11 VAL 19 -8.756 -9.173 -4.250 130 HG12 VAL 19 HG12 VAL 19 -9.315 -10.644 -5.050 131 HG13 VAL 19 HG13 VAL 19 -8.924 -9.211 -6.006 132 HG21 VAL 19 HG21 VAL 19 -7.213 -10.759 -7.380 133 HG22 VAL 19 HG22 VAL 19 -7.692 -12.100 -6.335 134 HG23 VAL 19 HG23 VAL 19 -5.992 -11.643 -6.464 135 H THR 20 H THR 20 -7.830 -7.201 -5.824 136 HA THR 20 HA THR 20 -7.774 -7.092 -8.690 137 HB THR 20 HB THR 20 -8.905 -5.057 -6.711 138 HG1 THR 20 HG1 THR 20 -9.657 -7.556 -7.168 139 HG21 THR 20 HG21 THR 20 -8.733 -4.132 -9.002 140 HG22 THR 20 HG22 THR 20 -10.416 -4.400 -8.553 141 HG23 THR 20 HG23 THR 20 -9.611 -5.535 -9.636 142 H LEU 21 H LEU 21 -6.535 -4.950 -6.116 143 HA LEU 21 HA LEU 21 -5.341 -2.912 -7.588 144 HB2 LEU 21 HB3 LEU 21 -4.533 -4.113 -4.908 145 HB3 LEU 21 HB2 LEU 21 -3.836 -2.629 -5.549 146 HG LEU 21 HG LEU 21 -6.781 -3.016 -4.866 147 HD11 LEU 21 HD11 LEU 21 -4.621 -1.519 -3.349 148 HD12 LEU 21 HD12 LEU 21 -5.413 -3.016 -2.847 149 HD13 LEU 21 HD13 LEU 21 -6.344 -1.525 -2.956 150 HD21 LEU 21 HD21 LEU 21 -5.274 -0.526 -5.748 151 HD22 LEU 21 HD22 LEU 21 -6.948 -0.569 -5.198 152 HD23 LEU 21 HD23 LEU 21 -6.493 -1.403 -6.680 153 H THR 22 H THR 22 -3.817 -5.876 -6.353 154 HA THR 22 HA THR 22 -1.234 -5.375 -7.366 155 HB THR 22 HB THR 22 -0.766 -7.752 -6.819 156 HG1 THR 22 HG1 THR 22 -3.565 -7.867 -6.242 157 HG21 THR 22 HG21 THR 22 -1.213 -7.628 -4.402 158 HG22 THR 22 HG22 THR 22 -2.370 -6.323 -4.667 159 HG23 THR 22 HG23 THR 22 -0.657 -6.069 -5.014 160 H SER 23 H SER 23 -3.989 -7.111 -8.736 161 HA SER 23 HA SER 23 -2.600 -8.306 -10.946 162 HB2 SER 23 HB3 SER 23 -4.694 -9.267 -10.080 163 HB3 SER 23 HB2 SER 23 -5.576 -7.809 -10.529 164 HG SER 23 HG SER 23 -5.366 -9.874 -11.990 165 H VAL 24 H VAL 24 -4.568 -5.343 -10.589 166 HA VAL 24 HA VAL 24 -4.434 -4.656 -13.417 167 HB VAL 24 HB VAL 24 -5.569 -3.071 -11.063 168 HG11 VAL 24 HG11 VAL 24 -5.858 -2.522 -14.049 169 HG12 VAL 24 HG12 VAL 24 -4.974 -1.529 -12.889 170 HG13 VAL 24 HG13 VAL 24 -6.728 -1.671 -12.767 171 HG21 VAL 24 HG21 VAL 24 -7.784 -3.802 -11.910 172 HG22 VAL 24 HG22 VAL 24 -6.779 -5.183 -11.461 173 HG23 VAL 24 HG23 VAL 24 -6.988 -4.762 -13.163 174 H ILE 25 H ILE 25 -3.191 -3.164 -10.407 175 HA ILE 25 HA ILE 25 -1.867 -0.992 -11.659 176 HB ILE 25 HB ILE 25 -1.388 -2.142 -8.881 177 HG12 ILE 25 HG12 ILE 25 -3.116 0.239 -9.689 178 HG13 ILE 25 HG11 ILE 25 -3.748 -1.373 -9.359 179 HG21 ILE 25 HG21 ILE 25 -0.413 0.064 -8.287 180 HG22 ILE 25 HG22 ILE 25 -0.586 0.593 -9.961 181 HG23 ILE 25 HG23 ILE 25 0.521 -0.721 -9.563 182 HD11 ILE 25 HD11 ILE 25 -4.042 0.081 -7.467 183 HD12 ILE 25 HD12 ILE 25 -2.311 0.404 -7.400 184 HD13 ILE 25 HD13 ILE 25 -2.922 -1.220 -7.066 185 H ASP 26 H ASP 26 0.016 -0.878 -12.628 186 HA ASP 26 HA ASP 26 2.089 -2.920 -12.302 187 HB2 ASP 26 HB3 ASP 26 1.464 -2.269 -14.608 188 HB3 ASP 26 HB2 ASP 26 1.849 -0.585 -14.254 189 HA PRO 27 HA PRO 27 3.586 0.036 -9.182 190 HB2 PRO 27 HB3 PRO 27 5.496 -1.511 -8.028 191 HB3 PRO 27 HB2 PRO 27 3.772 -1.857 -7.822 192 HG2 PRO 27 HG3 PRO 27 5.744 -3.132 -9.725 193 HG3 PRO 27 HG2 PRO 27 4.539 -3.916 -8.679 194 HD2 PRO 27 HD3 PRO 27 4.108 -3.439 -11.346 195 HD3 PRO 27 HD2 PRO 27 2.793 -3.482 -10.152 196 H SER 28 H SER 28 5.585 -1.459 -11.647 197 HA SER 28 HA SER 28 7.947 0.145 -11.288 198 HB2 SER 28 HB3 SER 28 8.721 -0.893 -13.376 199 HB3 SER 28 HB2 SER 28 7.962 -2.126 -12.371 200 HG SER 28 HG SER 28 6.299 -2.256 -13.740 201 H ARG 29 H ARG 29 4.954 0.457 -13.058 202 HA ARG 29 HA ARG 29 5.581 2.565 -14.837 203 HB2 ARG 29 HB3 ARG 29 3.446 1.060 -14.688 204 HB3 ARG 29 HB2 ARG 29 2.861 2.220 -13.508 205 HG2 ARG 29 HG3 ARG 29 1.890 2.792 -15.624 206 HG3 ARG 29 HG2 ARG 29 3.115 4.019 -15.279 207 HD2 ARG 29 HD3 ARG 29 3.148 3.222 -17.658 208 HD3 ARG 29 HD2 ARG 29 4.683 2.962 -16.819 209 HE ARG 29 HE ARG 29 3.443 0.612 -16.423 210 HH11 ARG 29 HH11 ARG 29 3.943 2.343 -19.380 211 HH12 ARG 29 HH12 ARG 29 3.977 0.892 -20.312 212 HH21 ARG 29 HH21 ARG 29 3.522 -1.185 -17.618 213 HH22 ARG 29 HH22 ARG 29 3.746 -1.082 -19.333 214 H ILE 30 H ILE 30 4.513 2.550 -11.443 215 HA ILE 30 HA ILE 30 4.323 5.486 -11.370 216 HB ILE 30 HB ILE 30 3.108 5.241 -9.262 217 HG12 ILE 30 HG12 ILE 30 3.491 2.215 -9.521 218 HG13 ILE 30 HG11 ILE 30 4.353 3.234 -8.373 219 HG21 ILE 30 HG21 ILE 30 1.088 4.088 -10.078 220 HG22 ILE 30 HG22 ILE 30 2.029 3.306 -11.351 221 HG23 ILE 30 HG23 ILE 30 1.818 5.058 -11.359 222 HD11 ILE 30 HD11 ILE 30 2.563 2.103 -7.259 223 HD12 ILE 30 HD12 ILE 30 1.388 2.699 -8.430 224 HD13 ILE 30 HD13 ILE 30 2.190 3.828 -7.329 225 H THR 31 H THR 31 6.865 3.445 -10.925 226 HA THR 31 HA THR 31 7.962 4.092 -8.433 227 HB THR 31 HB THR 31 10.293 3.777 -9.529 228 HG1 THR 31 HG1 THR 31 9.175 2.486 -11.686 229 HG21 THR 31 HG21 THR 31 9.166 1.966 -8.306 230 HG22 THR 31 HG22 THR 31 10.050 1.342 -9.704 231 HG23 THR 31 HG23 THR 31 8.291 1.508 -9.772 232 HA PRO 32 HA PRO 32 10.117 8.114 -10.369 233 HB2 PRO 32 HB3 PRO 32 8.674 9.403 -12.357 234 HB3 PRO 32 HB2 PRO 32 10.008 8.289 -12.681 235 HG2 PRO 32 HG3 PRO 32 7.039 7.733 -12.681 236 HG3 PRO 32 HG2 PRO 32 8.263 7.260 -13.880 237 HD2 PRO 32 HD3 PRO 32 7.419 5.492 -12.051 238 HD3 PRO 32 HD2 PRO 32 9.134 5.550 -12.511 239 H TYR 33 H TYR 33 6.562 7.794 -10.362 240 HA TYR 33 HA TYR 33 5.937 10.307 -9.207 241 HB2 TYR 33 HB2 TYR 33 4.142 9.057 -10.289 242 HB3 TYR 33 HB1 TYR 33 4.361 7.691 -9.192 243 HD1 TYR 33 HD1 TYR 33 2.857 7.538 -7.343 244 HD2 TYR 33 HD2 TYR 33 3.700 11.388 -9.028 245 HE1 TYR 33 HE1 TYR 33 1.385 8.608 -5.683 246 HE2 TYR 33 HE2 TYR 33 2.215 12.436 -7.384 247 HH TYR 33 HH TYR 33 1.134 10.830 -4.620 248 H LEU 34 H LEU 34 6.331 7.072 -7.717 249 HA LEU 34 HA LEU 34 5.911 7.898 -5.028 250 HB2 LEU 34 HB3 LEU 34 7.374 5.451 -6.088 251 HB3 LEU 34 HB2 LEU 34 6.851 5.670 -4.424 252 HG LEU 34 HG LEU 34 5.047 5.348 -6.858 253 HD11 LEU 34 HD11 LEU 34 6.119 3.268 -6.175 254 HD12 LEU 34 HD12 LEU 34 4.390 3.218 -5.843 255 HD13 LEU 34 HD13 LEU 34 5.535 3.476 -4.522 256 HD21 LEU 34 HD21 LEU 34 3.995 6.893 -5.275 257 HD22 LEU 34 HD22 LEU 34 4.228 5.744 -3.957 258 HD23 LEU 34 HD23 LEU 34 3.143 5.350 -5.294 259 H ARG 35 H ARG 35 8.743 7.863 -7.085 260 HA ARG 35 HA ARG 35 10.762 8.358 -5.139 261 HB2 ARG 35 HB3 ARG 35 10.585 8.742 -8.135 262 HB3 ARG 35 HB2 ARG 35 11.968 9.384 -7.258 263 HG2 ARG 35 HG3 ARG 35 11.120 6.472 -7.319 264 HG3 ARG 35 HG2 ARG 35 12.449 7.189 -8.237 265 HD2 ARG 35 HD3 ARG 35 13.285 7.955 -5.833 266 HD3 ARG 35 HD2 ARG 35 12.257 6.623 -5.282 267 HE ARG 35 HE ARG 35 13.711 5.419 -7.170 268 HH11 ARG 35 HH11 ARG 35 14.703 7.361 -4.488 269 HH12 ARG 35 HH12 ARG 35 16.310 6.737 -4.518 270 HH21 ARG 35 HH21 ARG 35 15.761 4.666 -7.191 271 HH22 ARG 35 HH22 ARG 35 16.902 5.232 -6.026 272 H GLN 36 H GLN 36 9.126 10.686 -7.399 273 HA GLN 36 HA GLN 36 10.246 13.026 -6.217 274 HB2 GLN 36 HB3 GLN 36 8.534 14.301 -7.487 275 HB3 GLN 36 HB2 GLN 36 9.357 13.108 -8.484 276 HG2 GLN 36 HG3 GLN 36 7.410 11.596 -8.259 277 HG3 GLN 36 HG2 GLN 36 6.584 12.817 -7.295 278 HE21 GLN 36 HE21 GLN 36 4.880 12.845 -8.815 279 HE22 GLN 36 HE22 GLN 36 5.043 13.635 -10.340 280 H CYS 37 H CYS 37 7.415 11.136 -5.408 281 HA CYS 37 HA CYS 37 6.311 12.949 -3.438 282 HB2 CYS 37 HB3 CYS 37 4.888 11.303 -4.647 283 HB3 CYS 37 HB2 CYS 37 5.763 9.981 -3.880 284 HG CYS 37 HG CYS 37 4.861 11.572 -1.337 285 H LYS 38 H LYS 38 8.947 10.788 -3.478 286 HA LYS 38 HA LYS 38 10.483 10.061 -2.019 287 HB2 LYS 38 HB3 LYS 38 9.300 12.201 -0.221 288 HB3 LYS 38 HB2 LYS 38 10.838 11.388 0.075 289 HG2 LYS 38 HG3 LYS 38 11.816 12.360 -1.919 290 HG3 LYS 38 HG2 LYS 38 10.256 13.007 -2.433 291 HD2 LYS 38 HD3 LYS 38 11.651 14.783 -1.489 292 HD3 LYS 38 HD2 LYS 38 10.227 14.515 -0.481 293 HE2 LYS 38 HE3 LYS 38 11.659 13.108 1.047 294 HE3 LYS 38 HE2 LYS 38 13.061 13.567 0.076 295 HZ1 LYS 38 HZ1 LYS 38 11.295 15.402 1.589 296 HZ2 LYS 38 HZ2 LYS 38 12.597 15.884 0.626 297 HZ3 LYS 38 HZ3 LYS 38 12.871 14.953 2.010 298 H VAL 39 H VAL 39 7.465 9.117 -1.673 299 HA VAL 39 HA VAL 39 7.479 7.921 0.962 300 HB VAL 39 HB VAL 39 5.386 6.767 0.242 301 HG11 VAL 39 HG11 VAL 39 5.403 9.756 -0.341 302 HG12 VAL 39 HG12 VAL 39 5.243 9.009 1.252 303 HG13 VAL 39 HG13 VAL 39 3.976 8.788 0.045 304 HG21 VAL 39 HG21 VAL 39 5.917 6.433 -2.150 305 HG22 VAL 39 HG22 VAL 39 5.825 8.173 -2.430 306 HG23 VAL 39 HG23 VAL 39 4.374 7.275 -1.974 307 H LEU 40 H LEU 40 8.862 7.106 -2.037 308 HA LEU 40 HA LEU 40 8.964 4.210 -1.504 309 HB2 LEU 40 HB3 LEU 40 8.438 5.255 -3.822 310 HB3 LEU 40 HB2 LEU 40 10.143 5.646 -3.909 311 HG LEU 40 HG LEU 40 10.585 3.128 -3.543 312 HD11 LEU 40 HD11 LEU 40 7.640 2.935 -4.226 313 HD12 LEU 40 HD12 LEU 40 8.400 2.488 -2.695 314 HD13 LEU 40 HD13 LEU 40 8.780 1.587 -4.160 315 HD21 LEU 40 HD21 LEU 40 10.300 2.556 -5.879 316 HD22 LEU 40 HD22 LEU 40 10.902 4.206 -5.722 317 HD23 LEU 40 HD23 LEU 40 9.203 3.924 -6.121 318 H ASN 41 H ASN 41 10.923 3.090 -1.283 319 HA ASN 41 HA ASN 41 13.368 4.629 -0.678 320 HB2 ASN 41 HB3 ASN 41 12.740 1.660 -0.336 321 HB3 ASN 41 HB2 ASN 41 14.222 2.452 0.190 322 HD21 ASN 41 HD21 ASN 41 12.945 4.843 1.229 323 HD22 ASN 41 HD22 ASN 41 12.098 4.373 2.653 324 HA PRO 42 HA PRO 42 15.346 3.394 -4.654 325 HB2 PRO 42 HB3 PRO 42 17.974 3.138 -3.721 326 HB3 PRO 42 HB2 PRO 42 17.231 4.664 -4.212 327 HG2 PRO 42 HG3 PRO 42 17.555 3.505 -1.447 328 HG3 PRO 42 HG2 PRO 42 17.806 5.177 -1.995 329 HD2 PRO 42 HD3 PRO 42 15.564 4.483 -0.690 330 HD3 PRO 42 HD2 PRO 42 15.501 5.645 -2.036 331 H ASP 43 H ASP 43 15.875 1.654 -1.640 332 HA ASP 43 HA ASP 43 16.758 -0.857 -2.620 333 HB2 ASP 43 HB3 ASP 43 15.168 -0.285 -0.078 334 HB3 ASP 43 HB2 ASP 43 16.234 -1.664 -0.370 335 H ASP 44 H ASP 44 13.517 0.422 -1.828 336 HA ASP 44 HA ASP 44 11.952 -1.858 -2.395 337 HB2 ASP 44 HB3 ASP 44 11.232 0.449 -1.312 338 HB3 ASP 44 HB2 ASP 44 10.958 0.969 -2.950 339 H GLU 45 H GLU 45 12.759 0.978 -4.379 340 HA GLU 45 HA GLU 45 11.480 0.411 -6.754 341 HB2 GLU 45 HB3 GLU 45 12.563 2.583 -6.204 342 HB3 GLU 45 HB2 GLU 45 14.147 1.847 -6.420 343 HG2 GLU 45 HG3 GLU 45 13.517 1.363 -8.809 344 HG3 GLU 45 HG2 GLU 45 12.027 2.266 -8.549 345 H GLU 46 H GLU 46 14.736 -0.621 -5.729 346 HA GLU 46 HA GLU 46 15.705 -1.795 -8.069 347 HB2 GLU 46 HB3 GLU 46 17.042 -1.485 -5.975 348 HB3 GLU 46 HB2 GLU 46 16.122 -2.776 -5.209 349 HG2 GLU 46 HG3 GLU 46 16.991 -4.323 -7.044 350 HG3 GLU 46 HG2 GLU 46 18.070 -3.017 -7.527 351 H GLN 47 H GLN 47 13.839 -3.323 -5.417 352 HA GLN 47 HA GLN 47 13.571 -5.890 -6.616 353 HB2 GLN 47 HB3 GLN 47 13.330 -5.608 -4.191 354 HB3 GLN 47 HB2 GLN 47 11.917 -4.580 -4.419 355 HG2 GLN 47 HG3 GLN 47 10.651 -6.478 -5.329 356 HG3 GLN 47 HG2 GLN 47 12.069 -7.517 -5.192 357 HE21 GLN 47 HE21 GLN 47 12.692 -8.238 -3.126 358 HE22 GLN 47 HE22 GLN 47 11.648 -8.126 -1.762 359 H VAL 48 H VAL 48 11.360 -3.097 -6.483 360 HA VAL 48 HA VAL 48 9.114 -4.129 -7.760 361 HB VAL 48 HB VAL 48 10.204 -1.283 -7.742 362 HG11 VAL 48 HG11 VAL 48 8.697 -1.487 -9.665 363 HG12 VAL 48 HG12 VAL 48 7.929 -0.531 -8.398 364 HG13 VAL 48 HG13 VAL 48 7.454 -2.213 -8.645 365 HG21 VAL 48 HG21 VAL 48 9.608 -2.172 -5.519 366 HG22 VAL 48 HG22 VAL 48 7.996 -2.587 -6.102 367 HG23 VAL 48 HG23 VAL 48 8.488 -0.894 -6.001 368 H LEU 49 H LEU 49 11.949 -2.550 -9.243 369 HA LEU 49 HA LEU 49 10.952 -2.765 -11.937 370 HB2 LEU 49 HB3 LEU 49 13.710 -1.992 -10.916 371 HB3 LEU 49 HB2 LEU 49 13.185 -1.849 -12.591 372 HG LEU 49 HG LEU 49 12.035 -0.315 -10.220 373 HD11 LEU 49 HD11 LEU 49 13.727 0.697 -12.517 374 HD12 LEU 49 HD12 LEU 49 14.247 0.487 -10.842 375 HD13 LEU 49 HD13 LEU 49 13.003 1.672 -11.230 376 HD21 LEU 49 HD21 LEU 49 10.275 -0.757 -11.849 377 HD22 LEU 49 HD22 LEU 49 11.275 -0.106 -13.150 378 HD23 LEU 49 HD23 LEU 49 10.707 0.950 -11.854 379 H SER 50 H SER 50 12.172 -5.158 -9.969 380 HA SER 50 HA SER 50 13.795 -6.711 -11.681 381 HB2 SER 50 HB3 SER 50 13.571 -7.280 -9.312 382 HB3 SER 50 HB2 SER 50 11.856 -7.627 -9.521 383 HG SER 50 HG SER 50 14.065 -9.073 -10.568 384 H ASP 51 H ASP 51 10.408 -6.011 -11.966 385 HA ASP 51 HA ASP 51 9.880 -8.174 -13.881 386 HB2 ASP 51 HB3 ASP 51 8.174 -6.058 -12.558 387 HB3 ASP 51 HB2 ASP 51 7.626 -6.707 -14.090 388 HA PRO 52 HA PRO 52 10.432 -5.293 -17.413 389 HB2 PRO 52 HB3 PRO 52 11.718 -6.946 -19.105 390 HB3 PRO 52 HB2 PRO 52 12.603 -6.090 -17.833 391 HG2 PRO 52 HG3 PRO 52 11.663 -8.954 -17.894 392 HG3 PRO 52 HG2 PRO 52 13.217 -8.301 -17.332 393 HD2 PRO 52 HD3 PRO 52 11.074 -8.947 -15.663 394 HD3 PRO 52 HD2 PRO 52 12.380 -7.823 -15.231 395 H ASN 53 H ASN 53 9.207 -8.530 -16.845 396 HA ASN 53 HA ASN 53 7.491 -8.610 -19.217 397 HB2 ASN 53 HB3 ASN 53 7.757 -10.606 -16.921 398 HB3 ASN 53 HB2 ASN 53 6.856 -10.865 -18.415 399 HD21 ASN 53 HD21 ASN 53 10.035 -10.706 -16.976 400 HD22 ASN 53 HD22 ASN 53 10.894 -11.354 -18.326 401 H LEU 54 H LEU 54 7.296 -7.801 -15.838 402 HA LEU 54 HA LEU 54 5.754 -6.763 -14.564 403 HB2 LEU 54 HB3 LEU 54 4.141 -6.355 -17.109 404 HB3 LEU 54 HB2 LEU 54 3.970 -5.447 -15.611 405 HG LEU 54 HG LEU 54 6.376 -5.385 -17.483 406 HD11 LEU 54 HD11 LEU 54 5.735 -3.069 -17.943 407 HD12 LEU 54 HD12 LEU 54 4.300 -3.247 -16.927 408 HD13 LEU 54 HD13 LEU 54 4.464 -4.199 -18.407 409 HD21 LEU 54 HD21 LEU 54 7.281 -3.604 -16.047 410 HD22 LEU 54 HD22 LEU 54 7.139 -5.130 -15.184 411 HD23 LEU 54 HD23 LEU 54 5.961 -3.846 -14.899 412 H VAL 55 H VAL 55 5.622 -9.606 -14.838 413 HA VAL 55 HA VAL 55 2.781 -10.359 -14.753 414 HB VAL 55 HB VAL 55 5.309 -12.067 -14.632 415 HG11 VAL 55 HG11 VAL 55 3.824 -14.050 -14.877 416 HG12 VAL 55 HG12 VAL 55 2.410 -13.008 -14.707 417 HG13 VAL 55 HG13 VAL 55 3.531 -13.199 -13.358 418 HG21 VAL 55 HG21 VAL 55 3.268 -11.700 -16.866 419 HG22 VAL 55 HG22 VAL 55 4.666 -12.778 -16.916 420 HG23 VAL 55 HG23 VAL 55 4.902 -11.030 -16.838 421 H ILE 56 H ILE 56 5.662 -10.479 -12.618 422 HA ILE 56 HA ILE 56 4.284 -11.761 -10.436 423 HB ILE 56 HB ILE 56 6.974 -10.351 -10.161 424 HG12 ILE 56 HG12 ILE 56 6.524 -13.155 -11.306 425 HG13 ILE 56 HG11 ILE 56 7.098 -11.758 -12.212 426 HG21 ILE 56 HG21 ILE 56 5.854 -12.838 -8.790 427 HG22 ILE 56 HG22 ILE 56 5.979 -11.232 -8.073 428 HG23 ILE 56 HG23 ILE 56 7.441 -12.124 -8.487 429 HD11 ILE 56 HD11 ILE 56 8.554 -13.112 -9.936 430 HD12 ILE 56 HD12 ILE 56 9.133 -11.713 -10.847 431 HD13 ILE 56 HD13 ILE 56 8.916 -13.263 -11.656 432 H ARG 57 H ARG 57 4.097 -8.613 -11.494 433 HA ARG 57 HA ARG 57 4.022 -6.989 -9.238 434 HB2 ARG 57 HB3 ARG 57 2.618 -5.487 -10.493 435 HB3 ARG 57 HB2 ARG 57 3.756 -6.225 -11.615 436 HG2 ARG 57 HG3 ARG 57 1.994 -7.748 -12.421 437 HG3 ARG 57 HG2 ARG 57 0.853 -7.049 -11.267 438 HD2 ARG 57 HD3 ARG 57 1.225 -4.811 -12.414 439 HD3 ARG 57 HD2 ARG 57 2.134 -5.682 -13.658 440 HE ARG 57 HE ARG 57 -0.729 -6.136 -13.034 441 HH11 ARG 57 HH11 ARG 57 1.825 -6.044 -15.384 442 HH12 ARG 57 HH12 ARG 57 0.761 -6.421 -16.689 443 HH21 ARG 57 HH21 ARG 57 -2.035 -6.624 -14.714 444 HH22 ARG 57 HH22 ARG 57 -1.391 -6.750 -16.312 445 H LYS 58 H LYS 58 1.712 -9.468 -10.208 446 HA LYS 58 HA LYS 58 -0.485 -8.765 -8.568 447 HB2 LYS 58 HB3 LYS 58 -1.201 -11.124 -8.812 448 HB3 LYS 58 HB2 LYS 58 -0.744 -10.386 -10.343 449 HG2 LYS 58 HG3 LYS 58 1.395 -11.564 -10.329 450 HG3 LYS 58 HG2 LYS 58 1.051 -12.240 -8.732 451 HD2 LYS 58 HD3 LYS 58 -0.544 -12.798 -11.273 452 HD3 LYS 58 HD2 LYS 58 0.649 -13.887 -10.554 453 HE2 LYS 58 HE3 LYS 58 -0.743 -14.105 -8.535 454 HE3 LYS 58 HE2 LYS 58 -1.915 -12.963 -9.196 455 HZ1 LYS 58 HZ1 LYS 58 -2.317 -14.529 -11.007 456 HZ2 LYS 58 HZ2 LYS 58 -2.669 -15.194 -9.498 457 HZ3 LYS 58 HZ3 LYS 58 -1.248 -15.633 -10.300 458 H ARG 59 H ARG 59 2.543 -10.295 -7.742 459 HA ARG 59 HA ARG 59 1.775 -10.622 -4.923 460 HB2 ARG 59 HB3 ARG 59 3.238 -12.333 -5.972 461 HB3 ARG 59 HB2 ARG 59 4.428 -11.092 -6.361 462 HG2 ARG 59 HG3 ARG 59 4.797 -10.698 -3.939 463 HG3 ARG 59 HG2 ARG 59 3.611 -11.950 -3.558 464 HD2 ARG 59 HD3 ARG 59 5.046 -13.624 -4.707 465 HD3 ARG 59 HD2 ARG 59 6.236 -12.356 -5.040 466 HE ARG 59 HE ARG 59 5.473 -13.273 -2.319 467 HH11 ARG 59 HH11 ARG 59 7.904 -12.053 -4.481 468 HH12 ARG 59 HH12 ARG 59 9.139 -12.145 -3.278 469 HH21 ARG 59 HH21 ARG 59 7.073 -13.373 -0.830 470 HH22 ARG 59 HH22 ARG 59 8.679 -12.884 -1.247 471 H LYS 60 H LYS 60 3.849 -8.604 -6.989 472 HA LYS 60 HA LYS 60 5.319 -7.466 -4.796 473 HB2 LYS 60 HB3 LYS 60 5.452 -7.088 -7.792 474 HB3 LYS 60 HB2 LYS 60 6.487 -6.184 -6.686 475 HG2 LYS 60 HG3 LYS 60 7.536 -8.198 -5.883 476 HG3 LYS 60 HG2 LYS 60 6.379 -9.217 -6.743 477 HD2 LYS 60 HD3 LYS 60 8.613 -9.090 -7.859 478 HD3 LYS 60 HD2 LYS 60 7.281 -8.558 -8.886 479 HE2 LYS 60 HE3 LYS 60 7.862 -6.199 -8.416 480 HE3 LYS 60 HE2 LYS 60 9.191 -6.732 -7.385 481 HZ1 LYS 60 HZ1 LYS 60 9.999 -6.144 -9.537 482 HZ2 LYS 60 HZ2 LYS 60 8.916 -7.198 -10.299 483 HZ3 LYS 60 HZ3 LYS 60 10.162 -7.818 -9.341 484 H VAL 61 H VAL 61 2.495 -6.269 -6.527 485 HA VAL 61 HA VAL 61 2.796 -3.547 -5.602 486 HB VAL 61 HB VAL 61 0.236 -5.004 -6.400 487 HG11 VAL 61 HG11 VAL 61 -0.779 -2.748 -6.678 488 HG12 VAL 61 HG12 VAL 61 0.686 -2.016 -6.018 489 HG13 VAL 61 HG13 VAL 61 -0.313 -3.059 -5.004 490 HG21 VAL 61 HG21 VAL 61 1.819 -4.885 -8.267 491 HG22 VAL 61 HG22 VAL 61 1.983 -3.143 -8.041 492 HG23 VAL 61 HG23 VAL 61 0.440 -3.824 -8.561 493 H GLY 62 H GLY 62 1.328 -6.521 -4.367 494 HA2 GLY 62 HA3 GLY 62 0.255 -5.501 -1.936 495 HA3 GLY 62 HA2 GLY 62 0.704 -7.171 -2.253 496 H VAL 63 H VAL 63 3.410 -7.053 -2.672 497 HA VAL 63 HA VAL 63 4.648 -6.733 -0.162 498 HB VAL 63 HB VAL 63 5.998 -6.653 -2.904 499 HG11 VAL 63 HG11 VAL 63 8.044 -7.407 -1.721 500 HG12 VAL 63 HG12 VAL 63 7.202 -7.276 -0.175 501 HG13 VAL 63 HG13 VAL 63 7.505 -5.830 -1.140 502 HG21 VAL 63 HG21 VAL 63 5.450 -9.052 -1.103 503 HG22 VAL 63 HG22 VAL 63 6.367 -9.087 -2.612 504 HG23 VAL 63 HG23 VAL 63 4.648 -8.698 -2.635 505 H LEU 64 H LEU 64 4.578 -4.550 -2.985 506 HA LEU 64 HA LEU 64 6.063 -2.384 -2.126 507 HB2 LEU 64 HB3 LEU 64 5.137 -2.597 -4.403 508 HB3 LEU 64 HB2 LEU 64 3.514 -2.379 -3.782 509 HG LEU 64 HG LEU 64 4.175 -0.029 -3.079 510 HD11 LEU 64 HD11 LEU 64 6.589 -0.301 -2.964 511 HD12 LEU 64 HD12 LEU 64 6.163 0.989 -4.086 512 HD13 LEU 64 HD13 LEU 64 6.668 -0.586 -4.705 513 HD21 LEU 64 HD21 LEU 64 2.875 -0.423 -5.129 514 HD22 LEU 64 HD22 LEU 64 4.367 -0.619 -6.052 515 HD23 LEU 64 HD23 LEU 64 3.976 0.941 -5.324 516 H LEU 65 H LEU 65 2.521 -2.860 -1.642 517 HA LEU 65 HA LEU 65 1.930 -0.594 -0.107 518 HB2 LEU 65 HB3 LEU 65 0.669 -3.366 0.032 519 HB3 LEU 65 HB2 LEU 65 -0.017 -1.935 0.792 520 HG LEU 65 HG LEU 65 0.310 -2.401 -2.196 521 HD11 LEU 65 HD11 LEU 65 -2.141 -2.438 -2.274 522 HD12 LEU 65 HD12 LEU 65 -2.212 -2.265 -0.517 523 HD13 LEU 65 HD13 LEU 65 -1.509 -3.716 -1.237 524 HD21 LEU 65 HD21 LEU 65 -0.823 0.025 -0.772 525 HD22 LEU 65 HD22 LEU 65 -0.885 -0.270 -2.511 526 HD23 LEU 65 HD23 LEU 65 0.668 -0.044 -1.716 527 H ASP 66 H ASP 66 3.000 -3.808 0.943 528 HA ASP 66 HA ASP 66 2.840 -3.477 3.735 529 HB2 ASP 66 HB3 ASP 66 3.019 -5.671 2.539 530 HB3 ASP 66 HB2 ASP 66 4.697 -5.310 2.151 531 H ILE 67 H ILE 67 5.481 -2.756 1.453 532 HA ILE 67 HA ILE 67 7.399 -1.989 3.476 533 HB ILE 67 HB ILE 67 7.428 -1.344 0.489 534 HG12 ILE 67 HG12 ILE 67 8.828 -3.642 1.941 535 HG13 ILE 67 HG11 ILE 67 7.341 -3.821 1.018 536 HG21 ILE 67 HG21 ILE 67 9.877 -1.029 0.789 537 HG22 ILE 67 HG22 ILE 67 9.700 -1.294 2.526 538 HG23 ILE 67 HG23 ILE 67 8.955 0.116 1.768 539 HD11 ILE 67 HD11 ILE 67 10.022 -2.985 -0.081 540 HD12 ILE 67 HD12 ILE 67 8.531 -3.131 -1.014 541 HD13 ILE 67 HD13 ILE 67 9.248 -4.558 -0.266 542 H LEU 68 H LEU 68 5.293 -0.172 1.200 543 HA LEU 68 HA LEU 68 5.994 2.458 1.883 544 HB2 LEU 68 HB3 LEU 68 3.321 1.416 0.872 545 HB3 LEU 68 HB2 LEU 68 3.735 3.122 0.972 546 HG LEU 68 HG LEU 68 5.049 1.059 -0.842 547 HD11 LEU 68 HD11 LEU 68 2.804 1.664 -1.581 548 HD12 LEU 68 HD12 LEU 68 4.016 2.313 -2.682 549 HD13 LEU 68 HD13 LEU 68 3.216 3.382 -1.525 550 HD21 LEU 68 HD21 LEU 68 6.710 2.705 -0.126 551 HD22 LEU 68 HD22 LEU 68 5.647 4.027 -0.615 552 HD23 LEU 68 HD23 LEU 68 6.307 2.925 -1.828 553 H GLN 69 H GLN 69 3.859 0.192 3.505 554 HA GLN 69 HA GLN 69 2.363 1.788 5.203 555 HB2 GLN 69 HB3 GLN 69 2.152 -0.685 4.951 556 HB3 GLN 69 HB2 GLN 69 3.620 -0.896 5.898 557 HG2 GLN 69 HG3 GLN 69 2.507 0.060 7.866 558 HG3 GLN 69 HG2 GLN 69 1.050 0.359 6.924 559 HE21 GLN 69 HE21 GLN 69 -0.222 -1.443 6.273 560 HE22 GLN 69 HE22 GLN 69 -0.098 -2.963 7.081 561 H ARG 70 H ARG 70 5.835 1.314 5.396 562 HA ARG 70 HA ARG 70 6.325 2.003 8.094 563 HB2 ARG 70 HB3 ARG 70 8.614 2.461 7.453 564 HB3 ARG 70 HB2 ARG 70 8.048 1.060 6.554 565 HG2 ARG 70 HG3 ARG 70 7.750 2.449 4.538 566 HG3 ARG 70 HG2 ARG 70 8.274 3.880 5.433 567 HD2 ARG 70 HD3 ARG 70 9.975 1.411 4.903 568 HD3 ARG 70 HD2 ARG 70 10.088 2.942 4.027 569 HE ARG 70 HE ARG 70 10.425 3.229 6.875 570 HH11 ARG 70 HH11 ARG 70 12.142 2.530 3.948 571 HH12 ARG 70 HH12 ARG 70 13.658 2.998 4.628 572 HH21 ARG 70 HH21 ARG 70 12.371 3.793 7.705 573 HH22 ARG 70 HH22 ARG 70 13.792 3.676 6.722 574 H THR 71 H THR 71 5.429 4.023 5.373 575 HA THR 71 HA THR 71 6.143 6.572 6.576 576 HB THR 71 HB THR 71 5.049 7.629 4.672 577 HG1 THR 71 HG1 THR 71 4.127 5.260 3.537 578 HG21 THR 71 HG21 THR 71 6.404 5.077 3.701 579 HG22 THR 71 HG22 THR 71 7.226 6.586 4.112 580 HG23 THR 71 HG23 THR 71 6.125 6.529 2.734 581 H GLY 72 H GLY 72 3.696 4.357 7.208 582 HA2 GLY 72 HA3 GLY 72 1.995 4.474 8.774 583 HA3 GLY 72 HA2 GLY 72 2.183 6.220 8.842 584 H HIS 73 H HIS 73 1.046 7.520 7.376 585 HA HIS 73 HA HIS 73 -1.285 6.225 6.061 586 HB2 HIS 73 HB2 HIS 73 -1.739 7.609 8.135 587 HB3 HIS 73 HB1 HIS 73 -1.156 9.028 7.276 588 HD2 HIS 73 HD2 HIS 73 -2.918 10.062 5.342 589 HE1 HIS 73 HE1 HIS 73 -6.111 7.457 6.284 590 HE2 HIS 73 HE2 HIS 73 -5.456 9.624 5.159 591 H LYS 74 H LYS 74 1.363 8.472 5.639 592 HA LYS 74 HA LYS 74 0.443 9.968 3.426 593 HB2 LYS 74 HB3 LYS 74 2.313 10.663 4.844 594 HB3 LYS 74 HB2 LYS 74 3.285 9.307 4.289 595 HG2 LYS 74 HG3 LYS 74 3.560 10.246 2.121 596 HG3 LYS 74 HG2 LYS 74 2.248 11.398 2.366 597 HD2 LYS 74 HD3 LYS 74 4.456 12.501 2.475 598 HD3 LYS 74 HD2 LYS 74 3.575 12.639 3.997 599 HE2 LYS 74 HE3 LYS 74 4.939 10.674 4.854 600 HE3 LYS 74 HE2 LYS 74 5.911 10.796 3.384 601 HZ1 LYS 74 HZ1 LYS 74 5.530 12.969 5.374 602 HZ2 LYS 74 HZ2 LYS 74 6.520 13.027 4.007 603 HZ3 LYS 74 HZ3 LYS 74 6.891 11.970 5.269 604 H GLY 75 H GLY 75 2.062 6.831 3.557 605 HA2 GLY 75 HA3 GLY 75 2.550 6.430 0.781 606 HA3 GLY 75 HA2 GLY 75 2.360 5.170 1.992 607 H TYR 76 H TYR 76 -0.243 5.670 2.847 608 HA TYR 76 HA TYR 76 -1.943 4.468 0.949 609 HB2 TYR 76 HB2 TYR 76 -2.474 4.251 3.281 610 HB3 TYR 76 HB1 TYR 76 -2.478 5.989 3.529 611 HD1 TYR 76 HD1 TYR 76 -4.539 7.155 3.503 612 HD2 TYR 76 HD2 TYR 76 -4.375 3.266 1.743 613 HE1 TYR 76 HE1 TYR 76 -6.981 7.171 3.242 614 HE2 TYR 76 HE2 TYR 76 -6.823 3.286 1.484 615 HH TYR 76 HH TYR 76 -8.785 4.379 2.432 616 H VAL 77 H VAL 77 -1.553 7.914 1.862 617 HA VAL 77 HA VAL 77 -3.546 9.026 0.177 618 HB VAL 77 HB VAL 77 -0.970 10.329 1.182 619 HG11 VAL 77 HG11 VAL 77 -3.483 11.660 0.079 620 HG12 VAL 77 HG12 VAL 77 -1.905 11.608 -0.710 621 HG13 VAL 77 HG13 VAL 77 -2.107 12.504 0.795 622 HG21 VAL 77 HG21 VAL 77 -3.773 10.383 2.378 623 HG22 VAL 77 HG22 VAL 77 -2.373 11.265 2.995 624 HG23 VAL 77 HG23 VAL 77 -2.385 9.502 3.025 625 H ALA 78 H ALA 78 -0.018 8.705 -0.338 626 HA ALA 78 HA ALA 78 0.162 9.657 -2.975 627 HB1 ALA 78 HB1 ALA 78 2.338 8.503 -3.059 628 HB2 ALA 78 HB2 ALA 78 1.910 7.576 -1.616 629 HB3 ALA 78 HB3 ALA 78 2.121 9.323 -1.509 630 H PHE 79 H PHE 79 -0.613 6.435 -1.729 631 HA PHE 79 HA PHE 79 -0.681 5.036 -4.204 632 HB2 PHE 79 HB2 PHE 79 -0.556 3.897 -2.001 633 HB3 PHE 79 HB1 PHE 79 -2.181 4.452 -1.616 634 HD1 PHE 79 HD1 PHE 79 -4.013 3.041 -2.128 635 HD2 PHE 79 HD2 PHE 79 -0.306 2.470 -4.184 636 HE1 PHE 79 HE1 PHE 79 -4.920 1.033 -3.224 637 HE2 PHE 79 HE2 PHE 79 -1.223 0.464 -5.265 638 HZ PHE 79 HZ PHE 79 -3.528 -0.252 -4.787 639 H LEU 80 H LEU 80 -3.225 6.728 -2.327 640 HA LEU 80 HA LEU 80 -5.414 6.266 -4.047 641 HB2 LEU 80 HB3 LEU 80 -4.855 8.627 -2.213 642 HB3 LEU 80 HB2 LEU 80 -6.386 8.383 -3.041 643 HG LEU 80 HG LEU 80 -5.203 6.561 -0.911 644 HD11 LEU 80 HD11 LEU 80 -6.019 8.662 0.009 645 HD12 LEU 80 HD12 LEU 80 -7.072 7.333 0.486 646 HD13 LEU 80 HD13 LEU 80 -7.577 8.443 -0.792 647 HD21 LEU 80 HD21 LEU 80 -6.454 5.217 -2.530 648 HD22 LEU 80 HD22 LEU 80 -7.847 6.294 -2.392 649 HD23 LEU 80 HD23 LEU 80 -7.339 5.320 -1.009 650 H GLU 81 H GLU 81 -2.895 8.759 -4.124 651 HA GLU 81 HA GLU 81 -4.052 10.277 -6.275 652 HB2 GLU 81 HB3 GLU 81 -1.255 10.332 -5.087 653 HB3 GLU 81 HB2 GLU 81 -1.884 11.512 -6.240 654 HG2 GLU 81 HG3 GLU 81 -2.945 11.004 -3.438 655 HG3 GLU 81 HG2 GLU 81 -1.948 12.367 -3.943 656 H SER 82 H SER 82 -1.556 7.710 -6.130 657 HA SER 82 HA SER 82 -0.862 7.779 -8.903 658 HB2 SER 82 HB3 SER 82 0.153 5.577 -8.590 659 HB3 SER 82 HB2 SER 82 0.514 6.563 -7.175 660 HG SER 82 HG SER 82 -1.022 5.447 -6.025 661 H LEU 83 H LEU 83 -3.526 6.289 -7.131 662 HA LEU 83 HA LEU 83 -4.638 4.840 -9.350 663 HB2 LEU 83 HB3 LEU 83 -5.857 5.797 -6.733 664 HB3 LEU 83 HB2 LEU 83 -6.761 4.875 -7.926 665 HG LEU 83 HG LEU 83 -4.323 3.895 -6.392 666 HD11 LEU 83 HD11 LEU 83 -5.877 2.333 -5.304 667 HD12 LEU 83 HD12 LEU 83 -7.234 3.058 -6.173 668 HD13 LEU 83 HD13 LEU 83 -6.329 4.009 -4.992 669 HD21 LEU 83 HD21 LEU 83 -5.991 2.466 -8.491 670 HD22 LEU 83 HD22 LEU 83 -4.778 1.701 -7.462 671 HD23 LEU 83 HD23 LEU 83 -4.292 2.934 -8.620 672 H GLU 84 H GLU 84 -5.363 8.011 -7.850 673 HA GLU 84 HA GLU 84 -7.395 8.919 -9.509 674 HB2 GLU 84 HB3 GLU 84 -5.332 10.233 -7.756 675 HB3 GLU 84 HB2 GLU 84 -6.169 11.279 -8.880 676 HG2 GLU 84 HG3 GLU 84 -7.616 9.488 -6.913 677 HG3 GLU 84 HG2 GLU 84 -7.138 11.147 -6.538 678 H LEU 85 H LEU 85 -3.893 9.043 -10.042 679 HA LEU 85 HA LEU 85 -4.082 10.605 -12.488 680 HB2 LEU 85 HB3 LEU 85 -2.172 10.567 -10.698 681 HB3 LEU 85 HB2 LEU 85 -1.614 9.126 -11.524 682 HG LEU 85 HG LEU 85 -1.859 11.894 -12.795 683 HD11 LEU 85 HD11 LEU 85 -0.137 11.868 -11.069 684 HD12 LEU 85 HD12 LEU 85 0.589 11.999 -12.667 685 HD13 LEU 85 HD13 LEU 85 0.623 10.455 -11.810 686 HD21 LEU 85 HD21 LEU 85 -0.499 10.994 -14.659 687 HD22 LEU 85 HD22 LEU 85 -2.038 10.152 -14.517 688 HD23 LEU 85 HD23 LEU 85 -0.561 9.382 -13.933 689 H TYR 86 H TYR 86 -3.112 7.213 -11.693 690 HA TYR 86 HA TYR 86 -2.775 6.630 -14.554 691 HB2 TYR 86 HB2 TYR 86 -1.950 5.057 -12.087 692 HB3 TYR 86 HB1 TYR 86 -1.653 4.529 -13.739 693 HD1 TYR 86 HD1 TYR 86 -0.734 7.083 -11.179 694 HD2 TYR 86 HD2 TYR 86 0.195 5.454 -15.024 695 HE1 TYR 86 HE1 TYR 86 1.411 8.290 -11.176 696 HE2 TYR 86 HE2 TYR 86 2.332 6.664 -15.017 697 HH TYR 86 HH TYR 86 3.374 8.564 -13.990 698 H TYR 87 H TYR 87 -4.734 5.388 -11.799 699 HA TYR 87 HA TYR 87 -6.286 3.689 -13.703 700 HB2 TYR 87 HB2 TYR 87 -5.576 2.920 -10.832 701 HB3 TYR 87 HB1 TYR 87 -6.458 1.928 -11.989 702 HD1 TYR 87 HD1 TYR 87 -3.147 2.993 -10.857 703 HD2 TYR 87 HD2 TYR 87 -5.241 0.972 -13.990 704 HE1 TYR 87 HE1 TYR 87 -1.021 2.074 -11.694 705 HE2 TYR 87 HE2 TYR 87 -3.117 0.052 -14.813 706 HH TYR 87 HH TYR 87 -0.703 0.656 -14.732 707 HA PRO 88 HA PRO 88 -8.881 6.959 -11.420 708 HB2 PRO 88 HB3 PRO 88 -10.397 6.858 -14.021 709 HB3 PRO 88 HB2 PRO 88 -9.905 8.259 -13.055 710 HG2 PRO 88 HG3 PRO 88 -8.572 7.666 -15.277 711 HG3 PRO 88 HG2 PRO 88 -7.676 8.165 -13.821 712 HD2 PRO 88 HD3 PRO 88 -8.098 5.379 -14.926 713 HD3 PRO 88 HD2 PRO 88 -6.614 6.122 -14.290 714 H GLN 89 H GLN 89 -10.451 4.527 -13.592 715 HA GLN 89 HA GLN 89 -12.876 4.304 -12.194 716 HB2 GLN 89 HB3 GLN 89 -11.484 2.172 -13.851 717 HB3 GLN 89 HB2 GLN 89 -13.164 2.098 -13.321 718 HG2 GLN 89 HG3 GLN 89 -13.577 4.222 -14.627 719 HG3 GLN 89 HG2 GLN 89 -11.939 4.072 -15.271 720 HE21 GLN 89 HE21 GLN 89 -12.564 3.738 -17.405 721 HE22 GLN 89 HE22 GLN 89 -13.400 2.330 -17.938 722 H LEU 90 H LEU 90 -9.843 2.522 -11.748 723 HA LEU 90 HA LEU 90 -10.719 0.717 -9.751 724 HB2 LEU 90 HB3 LEU 90 -8.647 0.426 -11.091 725 HB3 LEU 90 HB2 LEU 90 -7.921 1.786 -10.257 726 HG LEU 90 HG LEU 90 -7.907 0.524 -8.136 727 HD11 LEU 90 HD11 LEU 90 -9.155 -1.767 -9.687 728 HD12 LEU 90 HD12 LEU 90 -9.914 -0.829 -8.397 729 HD13 LEU 90 HD13 LEU 90 -8.528 -1.852 -8.038 730 HD21 LEU 90 HD21 LEU 90 -6.677 -1.058 -10.422 731 HD22 LEU 90 HD22 LEU 90 -6.212 -1.164 -8.722 732 HD23 LEU 90 HD23 LEU 90 -5.956 0.336 -9.610 733 H TYR 91 H TYR 91 -9.275 4.017 -9.511 734 HA TYR 91 HA TYR 91 -8.960 4.235 -6.763 735 HB2 TYR 91 HB2 TYR 91 -8.206 6.025 -8.213 736 HB3 TYR 91 HB1 TYR 91 -9.850 6.385 -8.728 737 HD1 TYR 91 HD1 TYR 91 -7.593 6.436 -5.737 738 HD2 TYR 91 HD2 TYR 91 -11.190 7.956 -7.472 739 HE1 TYR 91 HE1 TYR 91 -7.833 8.016 -3.875 740 HE2 TYR 91 HE2 TYR 91 -11.416 9.548 -5.608 741 HH TYR 91 HH TYR 91 -8.917 10.200 -3.440 742 H LYS 92 H LYS 92 -11.925 5.269 -8.552 743 HA LYS 92 HA LYS 92 -13.409 5.933 -6.225 744 HB2 LYS 92 HB3 LYS 92 -14.435 5.296 -9.021 745 HB3 LYS 92 HB2 LYS 92 -15.438 5.925 -7.727 746 HG2 LYS 92 HG3 LYS 92 -14.980 7.819 -9.020 747 HG3 LYS 92 HG2 LYS 92 -13.821 7.958 -7.696 748 HD2 LYS 92 HD3 LYS 92 -12.028 7.112 -9.135 749 HD3 LYS 92 HD2 LYS 92 -13.175 6.800 -10.438 750 HE2 LYS 92 HE3 LYS 92 -11.938 8.821 -10.935 751 HE3 LYS 92 HE2 LYS 92 -13.610 9.258 -10.587 752 HZ1 LYS 92 HZ1 LYS 92 -12.071 10.758 -9.529 753 HZ2 LYS 92 HZ2 LYS 92 -11.319 9.486 -8.715 754 HZ3 LYS 92 HZ3 LYS 92 -12.922 9.892 -8.356 755 H LYS 93 H LYS 93 -12.949 2.893 -7.901 756 HA LYS 93 HA LYS 93 -15.034 1.374 -6.705 757 HB2 LYS 93 HB3 LYS 93 -13.825 0.607 -8.712 758 HB3 LYS 93 HB2 LYS 93 -12.331 0.484 -7.789 759 HG2 LYS 93 HG3 LYS 93 -13.307 -1.325 -6.430 760 HG3 LYS 93 HG2 LYS 93 -14.826 -1.180 -7.321 761 HD2 LYS 93 HD3 LYS 93 -13.601 -1.801 -9.419 762 HD3 LYS 93 HD2 LYS 93 -12.133 -2.030 -8.460 763 HE2 LYS 93 HE3 LYS 93 -13.230 -4.182 -8.909 764 HE3 LYS 93 HE2 LYS 93 -13.259 -3.827 -7.180 765 HZ1 LYS 93 HZ1 LYS 93 -15.516 -3.434 -9.074 766 HZ2 LYS 93 HZ2 LYS 93 -15.552 -3.068 -7.427 767 HZ3 LYS 93 HZ3 LYS 93 -15.384 -4.672 -7.932 768 H VAL 94 H VAL 94 -11.593 1.819 -5.802 769 HA VAL 94 HA VAL 94 -11.703 0.093 -3.506 770 HB VAL 94 HB VAL 94 -9.594 2.151 -4.283 771 HG11 VAL 94 HG11 VAL 94 -9.353 1.558 -1.904 772 HG12 VAL 94 HG12 VAL 94 -8.030 0.869 -2.846 773 HG13 VAL 94 HG13 VAL 94 -9.362 -0.162 -2.311 774 HG21 VAL 94 HG21 VAL 94 -8.380 0.278 -5.290 775 HG22 VAL 94 HG22 VAL 94 -9.977 0.423 -6.019 776 HG23 VAL 94 HG23 VAL 94 -9.665 -0.842 -4.828 777 H THR 95 H THR 95 -11.763 3.658 -3.843 778 HA THR 95 HA THR 95 -11.773 4.125 -0.978 779 HB THR 95 HB THR 95 -10.619 5.707 -2.523 780 HG1 THR 95 HG1 THR 95 -12.745 6.801 -0.944 781 HG21 THR 95 HG21 THR 95 -11.931 7.359 -3.807 782 HG22 THR 95 HG22 THR 95 -13.422 6.520 -3.377 783 HG23 THR 95 HG23 THR 95 -12.226 5.722 -4.396 784 H GLY 96 H GLY 96 -14.227 3.641 -3.387 785 HA2 GLY 96 HA3 GLY 96 -16.494 3.244 -3.029 786 HA3 GLY 96 HA2 GLY 96 -16.330 3.814 -1.377 787 H LYS 97 H LYS 97 -16.174 5.092 -4.714 788 HA LYS 97 HA LYS 97 -17.933 7.360 -3.982 789 HB2 LYS 97 HB3 LYS 97 -15.399 7.513 -5.672 790 HB3 LYS 97 HB2 LYS 97 -16.590 8.809 -5.564 791 HG2 LYS 97 HG3 LYS 97 -16.152 9.004 -3.140 792 HG3 LYS 97 HG2 LYS 97 -14.954 7.709 -3.256 793 HD2 LYS 97 HD3 LYS 97 -13.605 9.128 -4.796 794 HD3 LYS 97 HD2 LYS 97 -14.800 10.420 -4.636 795 HE2 LYS 97 HE3 LYS 97 -13.074 9.282 -2.405 796 HE3 LYS 97 HE2 LYS 97 -12.875 10.852 -3.186 797 HZ1 LYS 97 HZ1 LYS 97 -13.991 11.125 -1.103 798 HZ2 LYS 97 HZ2 LYS 97 -15.167 9.982 -1.509 799 HZ3 LYS 97 HZ3 LYS 97 -15.096 11.454 -2.340 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 13.153 12.145 15.893 2 H2 MET 1 HT2 MET 1 13.394 10.569 16.462 3 H3 MET 1 HT3 MET 1 12.389 11.630 17.312 4 HA MET 1 HA MET 1 10.820 11.689 15.517 5 HB2 MET 1 HB2 MET 1 12.404 11.390 13.660 6 HB3 MET 1 HB1 MET 1 12.760 9.751 14.181 7 HG2 MET 1 HG2 MET 1 10.515 9.032 13.583 8 HG3 MET 1 HG1 MET 1 10.055 10.687 13.185 9 HE1 MET 1 HE1 MET 1 13.193 8.309 10.728 10 HE2 MET 1 HE2 MET 1 12.422 7.663 12.176 11 HE3 MET 1 HE3 MET 1 13.556 9.007 12.306 12 H SER 2 H SER 2 9.046 10.520 16.102 13 HA SER 2 HA SER 2 9.165 8.401 17.991 14 HB2 SER 2 HB3 SER 2 7.232 9.917 17.920 15 HB3 SER 2 HB2 SER 2 6.808 9.354 16.303 16 HG SER 2 HG SER 2 5.758 8.402 18.346 17 H ASP 3 H ASP 3 8.685 6.219 17.812 18 HA ASP 3 HA ASP 3 8.855 4.994 15.119 19 HB2 ASP 3 HB3 ASP 3 9.710 2.998 16.248 20 HB3 ASP 3 HB2 ASP 3 10.660 4.402 16.715 21 H TYR 4 H TYR 4 6.501 5.907 17.175 22 HA TYR 4 HA TYR 4 4.809 3.621 17.411 23 HB2 TYR 4 HB2 TYR 4 4.573 5.574 18.894 24 HB3 TYR 4 HB1 TYR 4 4.175 6.605 17.526 25 HD1 TYR 4 HD1 TYR 4 1.885 6.908 16.917 26 HD2 TYR 4 HD2 TYR 4 2.924 3.622 19.451 27 HE1 TYR 4 HE1 TYR 4 -0.496 6.445 17.293 28 HE2 TYR 4 HE2 TYR 4 0.535 3.167 19.828 29 HH TYR 4 HH TYR 4 -1.627 4.370 19.719 30 H GLU 5 H GLU 5 4.576 2.590 15.409 31 HA GLU 5 HA GLU 5 3.491 4.106 13.095 32 HB2 GLU 5 HB3 GLU 5 4.390 2.265 11.707 33 HB3 GLU 5 HB2 GLU 5 5.646 2.970 12.720 34 HG2 GLU 5 HG3 GLU 5 5.385 1.071 14.317 35 HG3 GLU 5 HG2 GLU 5 4.204 0.345 13.225 36 H ASN 6 H ASN 6 1.974 2.880 15.476 37 HA ASN 6 HA ASN 6 0.357 0.732 14.632 38 HB2 ASN 6 HB3 ASN 6 0.517 1.477 16.992 39 HB3 ASN 6 HB2 ASN 6 -0.298 2.984 16.591 40 HD21 ASN 6 HD21 ASN 6 -1.929 2.571 18.085 41 HD22 ASN 6 HD22 ASN 6 -3.156 1.388 17.820 42 H ASP 7 H ASP 7 -0.603 0.824 12.664 43 HA ASP 7 HA ASP 7 -2.480 2.928 11.907 44 HB2 ASP 7 HB3 ASP 7 -0.139 3.787 11.405 45 HB3 ASP 7 HB2 ASP 7 0.078 2.430 10.302 46 H ASP 8 H ASP 8 -2.419 -0.049 12.359 47 HA ASP 8 HA ASP 8 -2.262 -1.478 9.912 48 HB2 ASP 8 HB3 ASP 8 -3.640 -2.301 12.498 49 HB3 ASP 8 HB2 ASP 8 -3.124 -3.390 11.208 50 H GLU 9 H GLU 9 -5.022 -0.074 11.627 51 HA GLU 9 HA GLU 9 -7.155 -1.156 10.133 52 HB2 GLU 9 HB3 GLU 9 -8.463 0.844 10.936 53 HB3 GLU 9 HB2 GLU 9 -7.611 -0.018 12.211 54 HG2 GLU 9 HG3 GLU 9 -5.880 1.695 12.290 55 HG3 GLU 9 HG2 GLU 9 -6.580 2.515 10.898 56 H CYS 10 H CYS 10 -5.110 1.636 9.479 57 HA CYS 10 HA CYS 10 -6.514 2.837 7.339 58 HB2 CYS 10 HB3 CYS 10 -4.839 4.073 8.518 59 HB3 CYS 10 HB2 CYS 10 -3.615 2.855 8.217 60 H TRP 11 H TRP 11 -3.924 0.390 7.335 61 HA TRP 11 HA TRP 11 -3.865 0.172 4.429 62 HB2 TRP 11 HB2 TRP 11 -2.372 -1.414 6.560 63 HB3 TRP 11 HB1 TRP 11 -2.065 -1.500 4.826 64 HD1 TRP 11 HD1 TRP 11 -0.953 0.347 7.858 65 HE1 TRP 11 HE1 TRP 11 0.516 2.348 7.210 66 HE3 TRP 11 HE3 TRP 11 -1.881 0.474 2.826 67 HZ2 TRP 11 HZ2 TRP 11 1.198 3.797 4.894 68 HZ3 TRP 11 HZ3 TRP 11 -0.768 2.197 1.459 69 HH2 TRP 11 HH2 TRP 11 0.741 3.827 2.480 70 H SER 12 H SER 12 -5.392 -1.532 7.095 71 HA SER 12 HA SER 12 -5.990 -3.961 5.686 72 HB2 SER 12 HB3 SER 12 -7.484 -4.510 7.538 73 HB3 SER 12 HB2 SER 12 -5.979 -3.850 8.166 74 HG SER 12 HG SER 12 -7.612 -1.806 7.859 75 H VAL 13 H VAL 13 -7.461 -0.814 5.651 76 HA VAL 13 HA VAL 13 -9.992 -1.441 4.516 77 HB VAL 13 HB VAL 13 -8.237 1.013 4.005 78 HG11 VAL 13 HG11 VAL 13 -11.222 0.656 3.488 79 HG12 VAL 13 HG12 VAL 13 -9.966 0.823 2.260 80 HG13 VAL 13 HG13 VAL 13 -10.332 2.173 3.333 81 HG21 VAL 13 HG21 VAL 13 -9.635 2.125 5.730 82 HG22 VAL 13 HG22 VAL 13 -8.742 0.753 6.384 83 HG23 VAL 13 HG23 VAL 13 -10.464 0.596 6.036 84 H LEU 14 H LEU 14 -6.749 -1.193 3.123 85 HA LEU 14 HA LEU 14 -7.562 -1.449 0.364 86 HB2 LEU 14 HB3 LEU 14 -4.815 -1.876 1.598 87 HB3 LEU 14 HB2 LEU 14 -5.158 -1.663 -0.114 88 HG LEU 14 HG LEU 14 -5.513 0.437 2.062 89 HD11 LEU 14 HD11 LEU 14 -3.691 1.633 0.934 90 HD12 LEU 14 HD12 LEU 14 -3.496 0.293 -0.200 91 HD13 LEU 14 HD13 LEU 14 -3.170 0.054 1.518 92 HD21 LEU 14 HD21 LEU 14 -7.264 0.715 0.378 93 HD22 LEU 14 HD22 LEU 14 -6.065 0.691 -0.918 94 HD23 LEU 14 HD23 LEU 14 -6.078 2.013 0.250 95 H GLU 15 H GLU 15 -6.854 -3.698 2.929 96 HA GLU 15 HA GLU 15 -5.778 -5.933 1.767 97 HB2 GLU 15 HB3 GLU 15 -6.098 -5.773 4.159 98 HB3 GLU 15 HB2 GLU 15 -7.845 -5.750 3.991 99 HG2 GLU 15 HG3 GLU 15 -7.033 -7.905 4.849 100 HG3 GLU 15 HG2 GLU 15 -7.855 -8.088 3.299 101 H GLY 16 H GLY 16 -9.311 -5.492 2.194 102 HA2 GLY 16 HA3 GLY 16 -10.188 -7.732 0.749 103 HA3 GLY 16 HA2 GLY 16 -11.138 -6.297 1.085 104 H PHE 17 H PHE 17 -9.063 -4.636 -0.445 105 HA PHE 17 HA PHE 17 -10.245 -5.024 -3.111 106 HB2 PHE 17 HB2 PHE 17 -8.540 -2.754 -1.992 107 HB3 PHE 17 HB1 PHE 17 -9.176 -2.801 -3.635 108 HD1 PHE 17 HD1 PHE 17 -11.737 -2.928 -3.923 109 HD2 PHE 17 HD2 PHE 17 -9.855 -1.826 -0.250 110 HE1 PHE 17 HE1 PHE 17 -13.814 -1.853 -3.176 111 HE2 PHE 17 HE2 PHE 17 -11.940 -0.751 0.494 112 HZ PHE 17 HZ PHE 17 -13.925 -0.768 -0.968 113 H ARG 18 H ARG 18 -7.335 -5.961 -1.495 114 HA ARG 18 HA ARG 18 -5.358 -5.357 -3.399 115 HB2 ARG 18 HB3 ARG 18 -5.409 -7.635 -1.399 116 HB3 ARG 18 HB2 ARG 18 -4.016 -7.287 -2.418 117 HG2 ARG 18 HG3 ARG 18 -4.043 -4.930 -1.403 118 HG3 ARG 18 HG2 ARG 18 -5.194 -5.569 -0.229 119 HD2 ARG 18 HD3 ARG 18 -2.341 -6.518 -0.689 120 HD3 ARG 18 HD2 ARG 18 -2.943 -5.618 0.704 121 HE ARG 18 HE ARG 18 -4.417 -7.726 1.026 122 HH11 ARG 18 HH11 ARG 18 -1.168 -7.845 -0.184 123 HH12 ARG 18 HH12 ARG 18 -0.859 -9.386 0.521 124 HH21 ARG 18 HH21 ARG 18 -3.971 -9.692 1.920 125 HH22 ARG 18 HH22 ARG 18 -2.424 -10.422 1.681 126 H VAL 19 H VAL 19 -7.655 -7.998 -3.449 127 HA VAL 19 HA VAL 19 -6.603 -9.701 -5.392 128 HB VAL 19 HB VAL 19 -9.547 -8.904 -5.128 129 HG11 VAL 19 HG11 VAL 19 -10.038 -11.168 -6.017 130 HG12 VAL 19 HG12 VAL 19 -8.311 -11.469 -6.216 131 HG13 VAL 19 HG13 VAL 19 -9.102 -10.213 -7.169 132 HG21 VAL 19 HG21 VAL 19 -8.030 -11.073 -3.613 133 HG22 VAL 19 HG22 VAL 19 -9.769 -10.779 -3.520 134 HG23 VAL 19 HG23 VAL 19 -8.636 -9.562 -2.930 135 H THR 20 H THR 20 -8.435 -6.685 -5.844 136 HA THR 20 HA THR 20 -8.176 -6.693 -8.752 137 HB THR 20 HB THR 20 -9.360 -4.487 -7.006 138 HG1 THR 20 HG1 THR 20 -10.453 -6.923 -7.940 139 HG21 THR 20 HG21 THR 20 -10.635 -3.915 -9.048 140 HG22 THR 20 HG22 THR 20 -9.820 -5.207 -9.931 141 HG23 THR 20 HG23 THR 20 -8.898 -3.818 -9.350 142 H LEU 21 H LEU 21 -6.859 -4.868 -5.982 143 HA LEU 21 HA LEU 21 -5.519 -2.780 -7.257 144 HB2 LEU 21 HB3 LEU 21 -4.772 -4.274 -4.714 145 HB3 LEU 21 HB2 LEU 21 -3.947 -2.817 -5.244 146 HG LEU 21 HG LEU 21 -6.886 -2.986 -4.468 147 HD11 LEU 21 HD11 LEU 21 -5.422 -3.241 -2.520 148 HD12 LEU 21 HD12 LEU 21 -6.242 -1.684 -2.480 149 HD13 LEU 21 HD13 LEU 21 -4.545 -1.771 -2.960 150 HD21 LEU 21 HD21 LEU 21 -5.207 -0.583 -5.258 151 HD22 LEU 21 HD22 LEU 21 -6.850 -0.519 -4.616 152 HD23 LEU 21 HD23 LEU 21 -6.547 -1.280 -6.175 153 H THR 22 H THR 22 -4.182 -5.939 -6.266 154 HA THR 22 HA THR 22 -1.594 -5.515 -7.289 155 HB THR 22 HB THR 22 -1.230 -7.935 -6.925 156 HG1 THR 22 HG1 THR 22 -3.639 -8.512 -5.802 157 HG21 THR 22 HG21 THR 22 -1.054 -6.422 -4.984 158 HG22 THR 22 HG22 THR 22 -1.701 -7.990 -4.498 159 HG23 THR 22 HG23 THR 22 -2.784 -6.607 -4.670 160 H SER 23 H SER 23 -4.482 -6.620 -8.902 161 HA SER 23 HA SER 23 -3.036 -7.715 -11.200 162 HB2 SER 23 HB3 SER 23 -5.312 -8.250 -12.080 163 HB3 SER 23 HB2 SER 23 -5.033 -8.906 -10.467 164 HG SER 23 HG SER 23 -6.694 -7.820 -9.824 165 H VAL 24 H VAL 24 -4.867 -4.744 -10.428 166 HA VAL 24 HA VAL 24 -4.827 -3.840 -13.231 167 HB VAL 24 HB VAL 24 -6.025 -2.489 -10.770 168 HG11 VAL 24 HG11 VAL 24 -6.322 -1.717 -13.705 169 HG12 VAL 24 HG12 VAL 24 -5.482 -0.784 -12.465 170 HG13 VAL 24 HG13 VAL 24 -7.229 -1.004 -12.366 171 HG21 VAL 24 HG21 VAL 24 -8.209 -3.217 -11.699 172 HG22 VAL 24 HG22 VAL 24 -7.165 -4.594 -11.340 173 HG23 VAL 24 HG23 VAL 24 -7.369 -4.056 -13.008 174 H ILE 25 H ILE 25 -3.282 -2.917 -10.157 175 HA ILE 25 HA ILE 25 -2.093 -0.490 -11.142 176 HB ILE 25 HB ILE 25 -1.353 -2.082 -8.646 177 HG12 ILE 25 HG12 ILE 25 -3.185 0.348 -8.872 178 HG13 ILE 25 HG11 ILE 25 -3.748 -1.314 -8.712 179 HG21 ILE 25 HG21 ILE 25 0.460 -0.527 -9.288 180 HG22 ILE 25 HG22 ILE 25 -0.328 0.021 -7.810 181 HG23 ILE 25 HG23 ILE 25 -0.688 0.814 -9.345 182 HD11 ILE 25 HD11 ILE 25 -3.828 -0.126 -6.606 183 HD12 ILE 25 HD12 ILE 25 -2.094 0.177 -6.685 184 HD13 ILE 25 HD13 ILE 25 -2.697 -1.475 -6.529 185 H ASP 26 H ASP 26 -0.295 -0.306 -12.341 186 HA ASP 26 HA ASP 26 1.829 -2.336 -12.260 187 HB2 ASP 26 HB3 ASP 26 1.457 0.173 -13.946 188 HB3 ASP 26 HB2 ASP 26 2.928 -0.800 -13.976 189 HA PRO 27 HA PRO 27 3.467 0.307 -8.880 190 HB2 PRO 27 HB3 PRO 27 5.455 -1.444 -8.084 191 HB3 PRO 27 HB2 PRO 27 3.771 -1.585 -7.571 192 HG2 PRO 27 HG3 PRO 27 5.226 -3.087 -9.739 193 HG3 PRO 27 HG2 PRO 27 4.053 -3.692 -8.548 194 HD2 PRO 27 HD3 PRO 27 3.382 -3.142 -11.138 195 HD3 PRO 27 HD2 PRO 27 2.233 -2.978 -9.799 196 H SER 28 H SER 28 5.284 -1.346 -11.400 197 HA SER 28 HA SER 28 7.671 0.145 -11.476 198 HB2 SER 28 HB3 SER 28 7.809 -0.786 -13.840 199 HB3 SER 28 HB2 SER 28 7.489 -2.000 -12.600 200 HG SER 28 HG SER 28 6.007 -1.379 -14.738 201 H ARG 29 H ARG 29 4.507 0.749 -12.922 202 HA ARG 29 HA ARG 29 5.247 2.966 -14.578 203 HB2 ARG 29 HB3 ARG 29 3.223 1.714 -15.066 204 HB3 ARG 29 HB2 ARG 29 2.565 2.048 -13.468 205 HG2 ARG 29 HG3 ARG 29 2.339 4.433 -14.043 206 HG3 ARG 29 HG2 ARG 29 3.042 4.126 -15.633 207 HD2 ARG 29 HD3 ARG 29 0.454 2.901 -14.607 208 HD3 ARG 29 HD2 ARG 29 0.556 4.302 -15.680 209 HE ARG 29 HE ARG 29 1.976 2.162 -16.830 210 HH11 ARG 29 HH11 ARG 29 -1.301 3.047 -16.185 211 HH12 ARG 29 HH12 ARG 29 -1.910 2.159 -17.529 212 HH21 ARG 29 HH21 ARG 29 1.162 1.038 -18.534 213 HH22 ARG 29 HH22 ARG 29 -0.541 1.037 -18.830 214 H ILE 30 H ILE 30 3.938 2.692 -11.256 215 HA ILE 30 HA ILE 30 3.922 5.617 -10.971 216 HB ILE 30 HB ILE 30 2.637 5.354 -8.956 217 HG12 ILE 30 HG12 ILE 30 2.898 2.315 -9.184 218 HG13 ILE 30 HG11 ILE 30 3.849 3.295 -8.073 219 HG21 ILE 30 HG21 ILE 30 1.568 3.438 -11.069 220 HG22 ILE 30 HG22 ILE 30 1.377 5.192 -11.066 221 HG23 ILE 30 HG23 ILE 30 0.613 4.227 -9.807 222 HD11 ILE 30 HD11 ILE 30 0.858 2.942 -8.052 223 HD12 ILE 30 HD12 ILE 30 1.748 4.049 -6.998 224 HD13 ILE 30 HD13 ILE 30 2.026 2.306 -6.890 225 H THR 31 H THR 31 6.314 3.342 -10.573 226 HA THR 31 HA THR 31 7.476 3.907 -8.106 227 HB THR 31 HB THR 31 9.785 3.552 -9.213 228 HG1 THR 31 HG1 THR 31 9.797 3.677 -11.284 229 HG21 THR 31 HG21 THR 31 7.762 1.324 -9.570 230 HG22 THR 31 HG22 THR 31 8.618 1.705 -8.078 231 HG23 THR 31 HG23 THR 31 9.518 1.138 -9.490 232 HA PRO 32 HA PRO 32 9.778 7.868 -9.963 233 HB2 PRO 32 HB3 PRO 32 8.522 9.199 -12.029 234 HB3 PRO 32 HB2 PRO 32 9.781 7.984 -12.280 235 HG2 PRO 32 HG3 PRO 32 6.778 7.639 -12.387 236 HG3 PRO 32 HG2 PRO 32 8.009 7.080 -13.546 237 HD2 PRO 32 HD3 PRO 32 6.983 5.392 -11.728 238 HD3 PRO 32 HD2 PRO 32 8.706 5.318 -12.153 239 H TYR 33 H TYR 33 6.239 7.632 -10.041 240 HA TYR 33 HA TYR 33 5.622 10.227 -9.074 241 HB2 TYR 33 HB2 TYR 33 3.933 8.803 -10.208 242 HB3 TYR 33 HB1 TYR 33 3.987 7.653 -8.872 243 HD1 TYR 33 HD1 TYR 33 2.359 7.876 -7.145 244 HD2 TYR 33 HD2 TYR 33 3.380 11.301 -9.510 245 HE1 TYR 33 HE1 TYR 33 0.704 9.243 -5.930 246 HE2 TYR 33 HE2 TYR 33 1.713 12.634 -8.309 247 HH TYR 33 HH TYR 33 0.270 11.608 -5.425 248 H LEU 34 H LEU 34 6.042 7.094 -7.424 249 HA LEU 34 HA LEU 34 5.585 8.099 -4.767 250 HB2 LEU 34 HB3 LEU 34 6.916 5.524 -5.681 251 HB3 LEU 34 HB2 LEU 34 6.386 5.867 -4.041 252 HG LEU 34 HG LEU 34 4.567 5.561 -6.465 253 HD11 LEU 34 HD11 LEU 34 3.812 3.478 -5.407 254 HD12 LEU 34 HD12 LEU 34 5.000 3.690 -4.117 255 HD13 LEU 34 HD13 LEU 34 5.535 3.432 -5.780 256 HD21 LEU 34 HD21 LEU 34 3.808 6.030 -3.558 257 HD22 LEU 34 HD22 LEU 34 2.684 5.678 -4.875 258 HD23 LEU 34 HD23 LEU 34 3.611 7.174 -4.889 259 H ARG 35 H ARG 35 8.441 7.748 -6.803 260 HA ARG 35 HA ARG 35 10.457 8.178 -4.822 261 HB2 ARG 35 HB3 ARG 35 10.479 8.557 -7.840 262 HB3 ARG 35 HB2 ARG 35 11.912 8.772 -6.837 263 HG2 ARG 35 HG3 ARG 35 10.330 6.188 -6.907 264 HG3 ARG 35 HG2 ARG 35 11.667 6.524 -8.008 265 HD2 ARG 35 HD3 ARG 35 11.902 6.511 -4.971 266 HD3 ARG 35 HD2 ARG 35 12.318 5.149 -6.022 267 HE ARG 35 HE ARG 35 13.709 7.366 -6.961 268 HH11 ARG 35 HH11 ARG 35 13.727 5.452 -4.075 269 HH12 ARG 35 HH12 ARG 35 15.400 5.763 -3.783 270 HH21 ARG 35 HH21 ARG 35 15.820 7.729 -6.544 271 HH22 ARG 35 HH22 ARG 35 16.562 7.023 -5.152 272 H GLN 36 H GLN 36 8.923 10.439 -7.174 273 HA GLN 36 HA GLN 36 10.190 12.785 -6.135 274 HB2 GLN 36 HB3 GLN 36 8.769 14.051 -7.603 275 HB3 GLN 36 HB2 GLN 36 9.236 12.583 -8.454 276 HG2 GLN 36 HG3 GLN 36 7.024 11.594 -7.910 277 HG3 GLN 36 HG2 GLN 36 6.558 13.103 -7.126 278 HE21 GLN 36 HE21 GLN 36 5.246 11.852 -9.338 279 HE22 GLN 36 HE22 GLN 36 5.319 12.936 -10.670 280 H CYS 37 H CYS 37 7.441 10.964 -5.077 281 HA CYS 37 HA CYS 37 6.423 12.979 -3.239 282 HB2 CYS 37 HB3 CYS 37 4.978 11.176 -4.215 283 HB3 CYS 37 HB2 CYS 37 5.895 9.983 -3.299 284 HG CYS 37 HG CYS 37 5.160 11.313 -0.816 285 H LYS 38 H LYS 38 9.067 10.850 -3.266 286 HA LYS 38 HA LYS 38 10.663 10.183 -1.841 287 HB2 LYS 38 HB3 LYS 38 9.591 12.519 -0.234 288 HB3 LYS 38 HB2 LYS 38 10.930 11.547 0.356 289 HG2 LYS 38 HG3 LYS 38 11.871 13.475 -0.662 290 HG3 LYS 38 HG2 LYS 38 12.189 12.118 -1.741 291 HD2 LYS 38 HD3 LYS 38 10.342 12.846 -3.212 292 HD3 LYS 38 HD2 LYS 38 9.981 14.179 -2.110 293 HE2 LYS 38 HE3 LYS 38 12.566 13.819 -3.670 294 HE3 LYS 38 HE2 LYS 38 11.273 14.956 -4.059 295 HZ1 LYS 38 HZ1 LYS 38 11.665 16.056 -1.939 296 HZ2 LYS 38 HZ2 LYS 38 13.063 16.048 -2.886 297 HZ3 LYS 38 HZ3 LYS 38 12.921 14.980 -1.587 298 H VAL 39 H VAL 39 7.901 9.004 -1.629 299 HA VAL 39 HA VAL 39 8.008 7.826 1.082 300 HB VAL 39 HB VAL 39 5.771 6.905 0.625 301 HG11 VAL 39 HG11 VAL 39 4.500 9.030 0.559 302 HG12 VAL 39 HG12 VAL 39 5.937 9.881 -0.011 303 HG13 VAL 39 HG13 VAL 39 5.920 9.159 1.600 304 HG21 VAL 39 HG21 VAL 39 5.942 6.503 -1.801 305 HG22 VAL 39 HG22 VAL 39 5.967 8.239 -2.112 306 HG23 VAL 39 HG23 VAL 39 4.517 7.483 -1.447 307 H LEU 40 H LEU 40 9.221 7.187 -1.969 308 HA LEU 40 HA LEU 40 9.251 4.243 -1.583 309 HB2 LEU 40 HB3 LEU 40 8.204 5.236 -3.705 310 HB3 LEU 40 HB2 LEU 40 9.822 5.720 -4.178 311 HG LEU 40 HG LEU 40 10.497 3.271 -4.058 312 HD11 LEU 40 HD11 LEU 40 7.506 2.817 -3.795 313 HD12 LEU 40 HD12 LEU 40 8.732 2.458 -2.575 314 HD13 LEU 40 HD13 LEU 40 8.721 1.571 -4.095 315 HD21 LEU 40 HD21 LEU 40 10.016 4.345 -6.213 316 HD22 LEU 40 HD22 LEU 40 8.303 3.957 -6.045 317 HD23 LEU 40 HD23 LEU 40 9.492 2.663 -6.218 318 H ASN 41 H ASN 41 11.123 3.367 -1.015 319 HA ASN 41 HA ASN 41 13.640 4.824 -0.991 320 HB2 ASN 41 HB3 ASN 41 13.006 1.950 -0.160 321 HB3 ASN 41 HB2 ASN 41 14.514 2.801 0.172 322 HD21 ASN 41 HD21 ASN 41 11.149 2.495 1.013 323 HD22 ASN 41 HD22 ASN 41 11.226 3.432 2.468 324 HA PRO 42 HA PRO 42 15.472 3.123 -4.771 325 HB2 PRO 42 HB3 PRO 42 18.068 2.536 -4.032 326 HB3 PRO 42 HB2 PRO 42 17.486 4.184 -4.296 327 HG2 PRO 42 HG3 PRO 42 17.775 2.673 -1.695 328 HG3 PRO 42 HG2 PRO 42 18.278 4.334 -2.083 329 HD2 PRO 42 HD3 PRO 42 15.995 3.858 -0.741 330 HD3 PRO 42 HD2 PRO 42 16.091 5.168 -1.939 331 H ASP 43 H ASP 43 15.858 1.242 -1.818 332 HA ASP 43 HA ASP 43 16.463 -1.315 -2.799 333 HB2 ASP 43 HB3 ASP 43 14.696 -0.623 -0.404 334 HB3 ASP 43 HB2 ASP 43 15.568 -2.133 -0.656 335 H ASP 44 H ASP 44 13.354 0.295 -2.274 336 HA ASP 44 HA ASP 44 11.638 -1.908 -2.815 337 HB2 ASP 44 HB3 ASP 44 10.902 1.031 -3.099 338 HB3 ASP 44 HB2 ASP 44 9.829 -0.312 -2.710 339 H GLU 45 H GLU 45 12.505 0.981 -4.718 340 HA GLU 45 HA GLU 45 11.029 0.417 -7.031 341 HB2 GLU 45 HB3 GLU 45 12.004 2.650 -6.515 342 HB3 GLU 45 HB2 GLU 45 13.621 2.014 -6.811 343 HG2 GLU 45 HG3 GLU 45 13.011 1.570 -9.164 344 HG3 GLU 45 HG2 GLU 45 11.395 2.197 -8.860 345 H GLU 46 H GLU 46 14.445 -0.347 -6.272 346 HA GLU 46 HA GLU 46 15.182 -1.631 -8.667 347 HB2 GLU 46 HB3 GLU 46 16.779 -0.936 -6.895 348 HB3 GLU 46 HB2 GLU 46 16.141 -2.179 -5.826 349 HG2 GLU 46 HG3 GLU 46 16.940 -3.918 -7.438 350 HG3 GLU 46 HG2 GLU 46 17.647 -2.636 -8.422 351 H GLN 47 H GLN 47 13.788 -2.971 -5.674 352 HA GLN 47 HA GLN 47 13.690 -5.695 -6.361 353 HB2 GLN 47 HB3 GLN 47 13.407 -4.846 -4.065 354 HB3 GLN 47 HB2 GLN 47 11.886 -4.083 -4.511 355 HG2 GLN 47 HG3 GLN 47 10.870 -6.290 -4.881 356 HG3 GLN 47 HG2 GLN 47 12.400 -7.076 -4.486 357 HE21 GLN 47 HE21 GLN 47 13.074 -7.130 -2.308 358 HE22 GLN 47 HE22 GLN 47 12.009 -6.747 -1.005 359 H VAL 48 H VAL 48 11.260 -3.131 -6.851 360 HA VAL 48 HA VAL 48 9.235 -4.712 -8.072 361 HB VAL 48 HB VAL 48 9.785 -1.712 -8.177 362 HG11 VAL 48 HG11 VAL 48 8.522 -2.285 -10.197 363 HG12 VAL 48 HG12 VAL 48 7.479 -1.424 -9.066 364 HG13 VAL 48 HG13 VAL 48 7.337 -3.175 -9.239 365 HG21 VAL 48 HG21 VAL 48 9.164 -2.575 -5.946 366 HG22 VAL 48 HG22 VAL 48 7.706 -3.305 -6.618 367 HG23 VAL 48 HG23 VAL 48 7.883 -1.549 -6.596 368 H LEU 49 H LEU 49 11.963 -2.872 -9.435 369 HA LEU 49 HA LEU 49 11.173 -3.399 -12.203 370 HB2 LEU 49 HB3 LEU 49 13.621 -1.942 -11.126 371 HB3 LEU 49 HB2 LEU 49 13.099 -1.973 -12.805 372 HG LEU 49 HG LEU 49 11.629 -0.653 -10.486 373 HD11 LEU 49 HD11 LEU 49 12.103 1.460 -11.565 374 HD12 LEU 49 HD12 LEU 49 12.960 0.642 -12.879 375 HD13 LEU 49 HD13 LEU 49 13.607 0.597 -11.236 376 HD21 LEU 49 HD21 LEU 49 9.984 -1.564 -12.021 377 HD22 LEU 49 HD22 LEU 49 10.788 -0.801 -13.395 378 HD23 LEU 49 HD23 LEU 49 10.022 0.193 -12.153 379 H SER 50 H SER 50 12.258 -5.568 -10.218 380 HA SER 50 HA SER 50 14.592 -6.670 -11.490 381 HB2 SER 50 HB3 SER 50 14.160 -8.671 -10.142 382 HB3 SER 50 HB2 SER 50 13.890 -7.243 -9.143 383 HG SER 50 HG SER 50 11.959 -8.945 -10.339 384 H ASP 51 H ASP 51 11.196 -6.749 -12.202 385 HA ASP 51 HA ASP 51 11.454 -8.961 -14.145 386 HB2 ASP 51 HB3 ASP 51 9.100 -7.747 -12.677 387 HB3 ASP 51 HB2 ASP 51 8.835 -8.650 -14.167 388 HA PRO 52 HA PRO 52 11.205 -5.623 -17.344 389 HB2 PRO 52 HB3 PRO 52 12.465 -6.996 -19.320 390 HB3 PRO 52 HB2 PRO 52 13.365 -6.220 -18.009 391 HG2 PRO 52 HG3 PRO 52 12.553 -9.118 -18.291 392 HG3 PRO 52 HG2 PRO 52 14.136 -8.443 -17.838 393 HD2 PRO 52 HD3 PRO 52 12.342 -9.358 -15.988 394 HD3 PRO 52 HD2 PRO 52 13.473 -8.033 -15.640 395 H ASN 53 H ASN 53 9.929 -8.825 -17.097 396 HA ASN 53 HA ASN 53 8.067 -8.446 -19.381 397 HB2 ASN 53 HB3 ASN 53 8.685 -10.986 -17.796 398 HB3 ASN 53 HB2 ASN 53 7.566 -10.875 -19.152 399 HD21 ASN 53 HD21 ASN 53 10.932 -10.808 -18.209 400 HD22 ASN 53 HD22 ASN 53 11.572 -11.075 -19.788 401 H LEU 54 H LEU 54 8.287 -8.226 -15.995 402 HA LEU 54 HA LEU 54 6.865 -7.838 -14.301 403 HB2 LEU 54 HB3 LEU 54 5.052 -6.955 -16.572 404 HB3 LEU 54 HB2 LEU 54 4.620 -6.769 -14.884 405 HG LEU 54 HG LEU 54 6.744 -5.348 -14.624 406 HD11 LEU 54 HD11 LEU 54 7.664 -4.257 -16.613 407 HD12 LEU 54 HD12 LEU 54 6.675 -5.290 -17.649 408 HD13 LEU 54 HD13 LEU 54 7.939 -5.999 -16.642 409 HD21 LEU 54 HD21 LEU 54 4.537 -4.281 -16.416 410 HD22 LEU 54 HD22 LEU 54 5.652 -3.308 -15.451 411 HD23 LEU 54 HD23 LEU 54 4.496 -4.369 -14.653 412 H VAL 55 H VAL 55 7.088 -10.432 -14.627 413 HA VAL 55 HA VAL 55 4.540 -11.808 -14.960 414 HB VAL 55 HB VAL 55 7.198 -12.927 -13.942 415 HG11 VAL 55 HG11 VAL 55 6.301 -15.139 -14.615 416 HG12 VAL 55 HG12 VAL 55 4.773 -14.387 -15.078 417 HG13 VAL 55 HG13 VAL 55 5.282 -14.382 -13.388 418 HG21 VAL 55 HG21 VAL 55 7.600 -13.703 -16.261 419 HG22 VAL 55 HG22 VAL 55 7.499 -11.944 -16.179 420 HG23 VAL 55 HG23 VAL 55 6.135 -12.876 -16.798 421 H ILE 56 H ILE 56 6.772 -11.060 -12.308 422 HA ILE 56 HA ILE 56 4.963 -12.037 -10.221 423 HB ILE 56 HB ILE 56 7.752 -10.796 -9.999 424 HG12 ILE 56 HG12 ILE 56 6.906 -13.733 -10.111 425 HG13 ILE 56 HG11 ILE 56 7.782 -12.863 -11.364 426 HG21 ILE 56 HG21 ILE 56 6.532 -10.676 -7.854 427 HG22 ILE 56 HG22 ILE 56 7.867 -11.826 -7.755 428 HG23 ILE 56 HG23 ILE 56 6.209 -12.409 -7.929 429 HD11 ILE 56 HD11 ILE 56 9.248 -14.322 -10.132 430 HD12 ILE 56 HD12 ILE 56 8.810 -13.546 -8.613 431 HD13 ILE 56 HD13 ILE 56 9.698 -12.642 -9.844 432 H ARG 57 H ARG 57 5.007 -9.298 -11.973 433 HA ARG 57 HA ARG 57 4.891 -6.985 -10.551 434 HB2 ARG 57 HB3 ARG 57 4.473 -6.970 -12.901 435 HB3 ARG 57 HB2 ARG 57 3.088 -8.040 -12.741 436 HG2 ARG 57 HG3 ARG 57 1.861 -6.154 -11.580 437 HG3 ARG 57 HG2 ARG 57 3.226 -5.103 -11.974 438 HD2 ARG 57 HD3 ARG 57 2.827 -5.314 -14.324 439 HD3 ARG 57 HD2 ARG 57 1.721 -6.668 -14.098 440 HE ARG 57 HE ARG 57 1.146 -3.847 -13.775 441 HH11 ARG 57 HH11 ARG 57 -0.014 -7.035 -13.143 442 HH12 ARG 57 HH12 ARG 57 -1.668 -6.549 -13.202 443 HH21 ARG 57 HH21 ARG 57 -0.972 -3.251 -13.838 444 HH22 ARG 57 HH22 ARG 57 -2.198 -4.439 -13.565 445 H LYS 58 H LYS 58 2.298 -9.429 -10.600 446 HA LYS 58 HA LYS 58 0.316 -7.958 -9.227 447 HB2 LYS 58 HB3 LYS 58 -0.074 -10.062 -10.583 448 HB3 LYS 58 HB2 LYS 58 0.612 -10.995 -9.255 449 HG2 LYS 58 HG3 LYS 58 -1.187 -10.256 -7.768 450 HG3 LYS 58 HG2 LYS 58 -1.835 -9.214 -9.038 451 HD2 LYS 58 HD3 LYS 58 -2.217 -11.308 -10.429 452 HD3 LYS 58 HD2 LYS 58 -1.769 -12.254 -9.004 453 HE2 LYS 58 HE3 LYS 58 -4.102 -10.312 -9.207 454 HE3 LYS 58 HE2 LYS 58 -4.209 -12.072 -9.185 455 HZ1 LYS 58 HZ1 LYS 58 -4.712 -11.174 -7.027 456 HZ2 LYS 58 HZ2 LYS 58 -3.238 -10.346 -6.970 457 HZ3 LYS 58 HZ3 LYS 58 -3.259 -12.037 -6.938 458 H ARG 59 H ARG 59 2.592 -10.449 -8.005 459 HA ARG 59 HA ARG 59 2.083 -10.178 -5.252 460 HB2 ARG 59 HB3 ARG 59 3.432 -12.033 -6.164 461 HB3 ARG 59 HB2 ARG 59 4.696 -10.906 -6.646 462 HG2 ARG 59 HG3 ARG 59 5.093 -10.352 -4.257 463 HG3 ARG 59 HG2 ARG 59 3.848 -11.513 -3.790 464 HD2 ARG 59 HD3 ARG 59 5.189 -13.348 -4.726 465 HD3 ARG 59 HD2 ARG 59 6.409 -12.191 -5.280 466 HE ARG 59 HE ARG 59 6.036 -11.878 -2.506 467 HH11 ARG 59 HH11 ARG 59 7.419 -14.196 -4.693 468 HH12 ARG 59 HH12 ARG 59 8.548 -14.759 -3.515 469 HH21 ARG 59 HH21 ARG 59 7.491 -12.632 -1.055 470 HH22 ARG 59 HH22 ARG 59 8.586 -13.893 -1.501 471 H LYS 60 H LYS 60 4.278 -8.368 -7.401 472 HA LYS 60 HA LYS 60 5.736 -6.930 -5.471 473 HB2 LYS 60 HB3 LYS 60 5.143 -6.226 -8.365 474 HB3 LYS 60 HB2 LYS 60 6.301 -5.351 -7.359 475 HG2 LYS 60 HG3 LYS 60 7.632 -7.385 -7.083 476 HG3 LYS 60 HG2 LYS 60 6.469 -8.296 -8.056 477 HD2 LYS 60 HD3 LYS 60 6.980 -6.897 -10.010 478 HD3 LYS 60 HD2 LYS 60 8.084 -5.914 -9.040 479 HE2 LYS 60 HE3 LYS 60 8.413 -8.837 -9.778 480 HE3 LYS 60 HE2 LYS 60 9.373 -7.471 -10.355 481 HZ1 LYS 60 HZ1 LYS 60 9.279 -8.531 -7.587 482 HZ2 LYS 60 HZ2 LYS 60 10.068 -7.110 -8.034 483 HZ3 LYS 60 HZ3 LYS 60 10.580 -8.587 -8.664 484 H VAL 61 H VAL 61 2.602 -6.098 -6.995 485 HA VAL 61 HA VAL 61 2.401 -3.470 -5.881 486 HB VAL 61 HB VAL 61 0.058 -5.353 -6.372 487 HG11 VAL 61 HG11 VAL 61 -1.281 -3.279 -6.649 488 HG12 VAL 61 HG12 VAL 61 0.138 -2.308 -6.254 489 HG13 VAL 61 HG13 VAL 61 -0.565 -3.374 -5.037 490 HG21 VAL 61 HG21 VAL 61 1.409 -5.192 -8.405 491 HG22 VAL 61 HG22 VAL 61 1.359 -3.431 -8.326 492 HG23 VAL 61 HG23 VAL 61 -0.124 -4.343 -8.618 493 H GLY 62 H GLY 62 1.268 -6.628 -4.622 494 HA2 GLY 62 HA3 GLY 62 0.223 -5.743 -2.136 495 HA3 GLY 62 HA2 GLY 62 0.769 -7.372 -2.501 496 H VAL 63 H VAL 63 3.456 -6.827 -3.048 497 HA VAL 63 HA VAL 63 4.727 -6.666 -0.510 498 HB VAL 63 HB VAL 63 5.928 -6.440 -3.313 499 HG11 VAL 63 HG11 VAL 63 8.111 -6.976 -2.291 500 HG12 VAL 63 HG12 VAL 63 7.380 -6.940 -0.685 501 HG13 VAL 63 HG13 VAL 63 7.466 -5.464 -1.648 502 HG21 VAL 63 HG21 VAL 63 4.813 -8.605 -2.924 503 HG22 VAL 63 HG22 VAL 63 5.757 -8.849 -1.455 504 HG23 VAL 63 HG23 VAL 63 6.561 -8.815 -3.026 505 H LEU 64 H LEU 64 4.301 -4.338 -3.159 506 HA LEU 64 HA LEU 64 5.793 -2.172 -2.200 507 HB2 LEU 64 HB3 LEU 64 4.872 -2.280 -4.494 508 HB3 LEU 64 HB2 LEU 64 3.242 -2.148 -3.859 509 HG LEU 64 HG LEU 64 3.813 0.160 -3.006 510 HD11 LEU 64 HD11 LEU 64 5.809 1.299 -3.868 511 HD12 LEU 64 HD12 LEU 64 6.380 -0.213 -4.576 512 HD13 LEU 64 HD13 LEU 64 6.233 -0.056 -2.823 513 HD21 LEU 64 HD21 LEU 64 3.669 1.278 -5.188 514 HD22 LEU 64 HD22 LEU 64 2.596 -0.116 -5.123 515 HD23 LEU 64 HD23 LEU 64 4.121 -0.221 -6.005 516 H LEU 65 H LEU 65 2.350 -2.999 -1.662 517 HA LEU 65 HA LEU 65 1.664 -0.863 0.076 518 HB2 LEU 65 HB3 LEU 65 0.539 -3.689 -0.089 519 HB3 LEU 65 HB2 LEU 65 -0.216 -2.376 0.808 520 HG LEU 65 HG LEU 65 0.213 -2.410 -2.209 521 HD11 LEU 65 HD11 LEU 65 -2.363 -2.786 -0.646 522 HD12 LEU 65 HD12 LEU 65 -1.496 -4.035 -1.540 523 HD13 LEU 65 HD13 LEU 65 -2.216 -2.680 -2.404 524 HD21 LEU 65 HD21 LEU 65 0.306 -0.137 -1.313 525 HD22 LEU 65 HD22 LEU 65 -1.226 -0.378 -0.470 526 HD23 LEU 65 HD23 LEU 65 -1.175 -0.380 -2.232 527 H ASP 66 H ASP 66 2.932 -4.106 0.756 528 HA ASP 66 HA ASP 66 2.966 -4.089 3.567 529 HB2 ASP 66 HB3 ASP 66 3.258 -6.121 2.177 530 HB3 ASP 66 HB2 ASP 66 4.814 -5.531 1.611 531 H ILE 67 H ILE 67 5.294 -2.784 1.234 532 HA ILE 67 HA ILE 67 7.243 -1.956 3.203 533 HB ILE 67 HB ILE 67 6.911 -1.034 0.311 534 HG12 ILE 67 HG12 ILE 67 8.832 -3.143 1.424 535 HG13 ILE 67 HG11 ILE 67 7.332 -3.525 0.590 536 HG21 ILE 67 HG21 ILE 67 9.256 -0.721 2.229 537 HG22 ILE 67 HG22 ILE 67 8.223 0.572 1.611 538 HG23 ILE 67 HG23 ILE 67 9.284 -0.307 0.518 539 HD11 ILE 67 HD11 ILE 67 9.700 -2.087 -0.607 540 HD12 ILE 67 HD12 ILE 67 8.197 -2.483 -1.447 541 HD13 ILE 67 HD13 ILE 67 9.251 -3.772 -0.868 542 H LEU 68 H LEU 68 4.718 -0.267 1.283 543 HA LEU 68 HA LEU 68 5.142 2.354 2.183 544 HB2 LEU 68 HB3 LEU 68 2.614 1.035 1.144 545 HB3 LEU 68 HB2 LEU 68 2.708 2.753 1.500 546 HG LEU 68 HG LEU 68 4.335 1.293 -0.622 547 HD11 LEU 68 HD11 LEU 68 1.978 1.490 -1.246 548 HD12 LEU 68 HD12 LEU 68 2.983 2.525 -2.256 549 HD13 LEU 68 HD13 LEU 68 2.021 3.232 -0.953 550 HD21 LEU 68 HD21 LEU 68 5.118 3.519 -1.331 551 HD22 LEU 68 HD22 LEU 68 5.632 3.153 0.312 552 HD23 LEU 68 HD23 LEU 68 4.285 4.262 0.039 553 H GLN 69 H GLN 69 3.519 -0.322 3.720 554 HA GLN 69 HA GLN 69 1.898 0.647 5.650 555 HB2 GLN 69 HB3 GLN 69 2.376 -1.716 5.443 556 HB3 GLN 69 HB2 GLN 69 4.047 -1.488 5.929 557 HG2 GLN 69 HG3 GLN 69 1.834 -0.807 7.868 558 HG3 GLN 69 HG2 GLN 69 2.269 -2.493 7.610 559 HE21 GLN 69 HE21 GLN 69 2.540 -0.758 10.002 560 HE22 GLN 69 HE22 GLN 69 4.199 -0.849 10.448 561 H ARG 70 H ARG 70 5.473 0.703 5.950 562 HA ARG 70 HA ARG 70 5.520 1.791 8.583 563 HB2 ARG 70 HB3 ARG 70 7.960 2.020 8.260 564 HB3 ARG 70 HB2 ARG 70 7.364 0.441 7.787 565 HG2 ARG 70 HG3 ARG 70 8.902 0.898 6.110 566 HG3 ARG 70 HG2 ARG 70 7.393 1.394 5.358 567 HD2 ARG 70 HD3 ARG 70 9.191 3.006 4.899 568 HD3 ARG 70 HD2 ARG 70 7.914 3.759 5.860 569 HE ARG 70 HE ARG 70 10.383 2.704 7.107 570 HH11 ARG 70 HH11 ARG 70 8.165 5.339 6.708 571 HH12 ARG 70 HH12 ARG 70 9.020 6.344 7.818 572 HH21 ARG 70 HH21 ARG 70 11.432 4.023 8.513 573 HH22 ARG 70 HH22 ARG 70 10.836 5.616 8.821 574 H THR 71 H THR 71 4.960 3.389 5.583 575 HA THR 71 HA THR 71 5.908 6.021 6.455 576 HB THR 71 HB THR 71 5.084 6.920 4.363 577 HG1 THR 71 HG1 THR 71 3.989 4.590 3.352 578 HG21 THR 71 HG21 THR 71 6.178 5.510 2.664 579 HG22 THR 71 HG22 THR 71 6.202 4.153 3.794 580 HG23 THR 71 HG23 THR 71 7.159 5.597 4.130 581 H GLY 72 H GLY 72 3.134 4.113 7.005 582 HA2 GLY 72 HA3 GLY 72 1.332 4.505 8.391 583 HA3 GLY 72 HA2 GLY 72 1.901 6.149 8.628 584 H HIS 73 H HIS 73 1.378 7.731 6.927 585 HA HIS 73 HA HIS 73 -1.081 7.086 5.413 586 HB2 HIS 73 HB2 HIS 73 -0.514 9.424 7.234 587 HB3 HIS 73 HB1 HIS 73 -1.587 9.659 5.860 588 HD2 HIS 73 HD2 HIS 73 -3.475 10.199 7.856 589 HE1 HIS 73 HE1 HIS 73 -4.125 6.118 8.749 590 HE2 HIS 73 HE2 HIS 73 -5.007 8.471 9.043 591 H LYS 74 H LYS 74 1.970 8.828 5.465 592 HA LYS 74 HA LYS 74 1.710 10.497 3.249 593 HB2 LYS 74 HB3 LYS 74 4.218 9.007 4.108 594 HB3 LYS 74 HB2 LYS 74 4.183 10.401 3.028 595 HG2 LYS 74 HG3 LYS 74 3.099 11.704 4.941 596 HG3 LYS 74 HG2 LYS 74 3.470 10.324 5.975 597 HD2 LYS 74 HD3 LYS 74 5.206 12.017 6.245 598 HD3 LYS 74 HD2 LYS 74 5.896 10.602 5.445 599 HE2 LYS 74 HE3 LYS 74 5.799 11.723 3.280 600 HE3 LYS 74 HE2 LYS 74 4.961 13.105 3.989 601 HZ1 LYS 74 HZ1 LYS 74 6.924 13.576 5.303 602 HZ2 LYS 74 HZ2 LYS 74 7.302 13.549 3.653 603 HZ3 LYS 74 HZ3 LYS 74 7.728 12.242 4.640 604 H GLY 75 H GLY 75 2.855 7.099 3.176 605 HA2 GLY 75 HA3 GLY 75 3.025 6.864 0.326 606 HA3 GLY 75 HA2 GLY 75 3.001 5.543 1.483 607 H TYR 76 H TYR 76 0.408 6.483 2.623 608 HA TYR 76 HA TYR 76 -1.405 4.976 1.004 609 HB2 TYR 76 HB2 TYR 76 -1.515 5.100 3.494 610 HB3 TYR 76 HB1 TYR 76 -1.961 6.796 3.391 611 HD1 TYR 76 HD1 TYR 76 -4.255 7.293 3.601 612 HD2 TYR 76 HD2 TYR 76 -3.137 3.455 2.083 613 HE1 TYR 76 HE1 TYR 76 -6.619 6.620 3.560 614 HE2 TYR 76 HE2 TYR 76 -5.501 2.792 2.041 615 HH TYR 76 HH TYR 76 -7.612 3.396 3.149 616 H VAL 77 H VAL 77 -1.039 8.472 1.649 617 HA VAL 77 HA VAL 77 -3.224 9.404 0.098 618 HB VAL 77 HB VAL 77 -0.646 10.912 0.762 619 HG11 VAL 77 HG11 VAL 77 -3.381 11.974 -0.058 620 HG12 VAL 77 HG12 VAL 77 -1.914 12.009 -1.039 621 HG13 VAL 77 HG13 VAL 77 -2.008 12.967 0.438 622 HG21 VAL 77 HG21 VAL 77 -1.877 11.862 2.694 623 HG22 VAL 77 HG22 VAL 77 -1.731 10.111 2.825 624 HG23 VAL 77 HG23 VAL 77 -3.262 10.828 2.324 625 H ALA 78 H ALA 78 0.270 9.148 -0.624 626 HA ALA 78 HA ALA 78 0.250 9.882 -3.336 627 HB1 ALA 78 HB1 ALA 78 2.123 7.939 -1.941 628 HB2 ALA 78 HB2 ALA 78 2.310 9.692 -1.995 629 HB3 ALA 78 HB3 ALA 78 2.430 8.751 -3.481 630 H PHE 79 H PHE 79 -0.278 6.701 -1.829 631 HA PHE 79 HA PHE 79 -0.478 5.089 -4.130 632 HB2 PHE 79 HB2 PHE 79 -0.305 4.076 -1.926 633 HB3 PHE 79 HB1 PHE 79 -1.803 4.835 -1.398 634 HD1 PHE 79 HD1 PHE 79 -3.826 3.608 -1.549 635 HD2 PHE 79 HD2 PHE 79 -0.487 2.421 -3.945 636 HE1 PHE 79 HE1 PHE 79 -5.075 1.637 -2.325 637 HE2 PHE 79 HE2 PHE 79 -1.742 0.452 -4.700 638 HZ PHE 79 HZ PHE 79 -4.033 0.061 -3.900 639 H LEU 80 H LEU 80 -3.079 6.756 -2.294 640 HA LEU 80 HA LEU 80 -5.206 6.007 -4.008 641 HB2 LEU 80 HB3 LEU 80 -4.989 8.366 -2.103 642 HB3 LEU 80 HB2 LEU 80 -6.481 7.859 -2.888 643 HG LEU 80 HG LEU 80 -4.888 6.228 -0.865 644 HD11 LEU 80 HD11 LEU 80 -6.082 8.092 0.166 645 HD12 LEU 80 HD12 LEU 80 -6.801 6.551 0.626 646 HD13 LEU 80 HD13 LEU 80 -7.592 7.566 -0.584 647 HD21 LEU 80 HD21 LEU 80 -7.489 5.500 -2.263 648 HD22 LEU 80 HD22 LEU 80 -6.738 4.596 -0.944 649 HD23 LEU 80 HD23 LEU 80 -5.920 4.722 -2.498 650 H GLU 81 H GLU 81 -3.151 8.929 -3.996 651 HA GLU 81 HA GLU 81 -4.516 10.315 -6.068 652 HB2 GLU 81 HB3 GLU 81 -1.660 10.581 -5.074 653 HB3 GLU 81 HB2 GLU 81 -2.406 11.682 -6.228 654 HG2 GLU 81 HG3 GLU 81 -4.078 12.322 -4.530 655 HG3 GLU 81 HG2 GLU 81 -3.316 11.232 -3.370 656 H SER 82 H SER 82 -1.824 7.948 -6.138 657 HA SER 82 HA SER 82 -1.264 8.175 -8.939 658 HB2 SER 82 HB3 SER 82 0.002 6.110 -8.750 659 HB3 SER 82 HB2 SER 82 0.301 7.060 -7.300 660 HG SER 82 HG SER 82 -0.793 5.647 -6.122 661 H LEU 83 H LEU 83 -3.625 6.259 -7.104 662 HA LEU 83 HA LEU 83 -4.662 4.784 -9.305 663 HB2 LEU 83 HB3 LEU 83 -6.066 5.679 -6.764 664 HB3 LEU 83 HB2 LEU 83 -6.731 4.534 -7.920 665 HG LEU 83 HG LEU 83 -4.277 4.126 -6.172 666 HD11 LEU 83 HD11 LEU 83 -5.582 2.314 -5.147 667 HD12 LEU 83 HD12 LEU 83 -6.970 2.730 -6.156 668 HD13 LEU 83 HD13 LEU 83 -6.375 3.878 -4.952 669 HD21 LEU 83 HD21 LEU 83 -4.149 1.857 -7.135 670 HD22 LEU 83 HD22 LEU 83 -3.845 3.103 -8.337 671 HD23 LEU 83 HD23 LEU 83 -5.407 2.279 -8.300 672 H GLU 84 H GLU 84 -5.833 7.842 -7.798 673 HA GLU 84 HA GLU 84 -7.896 8.430 -9.602 674 HB2 GLU 84 HB3 GLU 84 -7.600 9.582 -7.424 675 HB3 GLU 84 HB2 GLU 84 -6.170 10.398 -8.035 676 HG2 GLU 84 HG3 GLU 84 -7.959 11.974 -8.061 677 HG3 GLU 84 HG2 GLU 84 -7.620 11.548 -9.733 678 H LEU 85 H LEU 85 -4.436 9.071 -9.862 679 HA LEU 85 HA LEU 85 -4.568 10.772 -12.186 680 HB2 LEU 85 HB3 LEU 85 -2.728 10.596 -10.329 681 HB3 LEU 85 HB2 LEU 85 -2.104 9.250 -11.258 682 HG LEU 85 HG LEU 85 -2.355 12.103 -12.317 683 HD11 LEU 85 HD11 LEU 85 0.109 10.700 -11.221 684 HD12 LEU 85 HD12 LEU 85 -0.769 12.025 -10.453 685 HD13 LEU 85 HD13 LEU 85 0.075 12.299 -11.973 686 HD21 LEU 85 HD21 LEU 85 -2.327 10.467 -14.148 687 HD22 LEU 85 HD22 LEU 85 -0.867 9.722 -13.496 688 HD23 LEU 85 HD23 LEU 85 -0.817 11.375 -14.117 689 H TYR 86 H TYR 86 -3.520 7.349 -11.701 690 HA TYR 86 HA TYR 86 -3.139 7.032 -14.598 691 HB2 TYR 86 HB2 TYR 86 -2.303 5.265 -12.271 692 HB3 TYR 86 HB1 TYR 86 -1.974 4.893 -13.960 693 HD1 TYR 86 HD1 TYR 86 -0.944 6.922 -11.075 694 HD2 TYR 86 HD2 TYR 86 -0.358 6.328 -15.265 695 HE1 TYR 86 HE1 TYR 86 1.129 8.229 -10.962 696 HE2 TYR 86 HE2 TYR 86 1.726 7.633 -15.149 697 HH TYR 86 HH TYR 86 3.196 8.515 -12.177 698 H TYR 87 H TYR 87 -4.970 5.409 -11.961 699 HA TYR 87 HA TYR 87 -6.637 4.024 -14.016 700 HB2 TYR 87 HB2 TYR 87 -5.942 2.819 -11.299 701 HB3 TYR 87 HB1 TYR 87 -6.740 2.021 -12.648 702 HD1 TYR 87 HD1 TYR 87 -3.658 2.343 -10.973 703 HD2 TYR 87 HD2 TYR 87 -5.276 2.006 -14.919 704 HE1 TYR 87 HE1 TYR 87 -1.478 1.571 -11.809 705 HE2 TYR 87 HE2 TYR 87 -3.100 1.223 -15.738 706 HH TYR 87 HH TYR 87 -0.777 0.034 -14.002 707 HA PRO 88 HA PRO 88 -9.350 6.823 -11.223 708 HB2 PRO 88 HB3 PRO 88 -10.769 6.922 -13.892 709 HB3 PRO 88 HB2 PRO 88 -10.532 8.210 -12.697 710 HG2 PRO 88 HG3 PRO 88 -9.031 8.165 -14.891 711 HG3 PRO 88 HG2 PRO 88 -8.285 8.549 -13.323 712 HD2 PRO 88 HD3 PRO 88 -8.187 5.974 -14.891 713 HD3 PRO 88 HD2 PRO 88 -6.905 6.779 -13.963 714 H GLN 89 H GLN 89 -10.267 4.362 -13.642 715 HA GLN 89 HA GLN 89 -12.767 3.568 -12.706 716 HB2 GLN 89 HB3 GLN 89 -12.347 1.401 -13.839 717 HB3 GLN 89 HB2 GLN 89 -11.885 2.776 -14.834 718 HG2 GLN 89 HG3 GLN 89 -9.523 2.394 -14.344 719 HG3 GLN 89 HG2 GLN 89 -9.929 1.088 -13.232 720 HE21 GLN 89 HE21 GLN 89 -10.639 -0.898 -14.086 721 HE22 GLN 89 HE22 GLN 89 -10.395 -1.327 -15.739 722 H LEU 90 H LEU 90 -9.569 2.514 -11.575 723 HA LEU 90 HA LEU 90 -10.584 0.556 -9.709 724 HB2 LEU 90 HB3 LEU 90 -8.400 0.235 -10.787 725 HB3 LEU 90 HB2 LEU 90 -7.804 1.730 -10.083 726 HG LEU 90 HG LEU 90 -7.917 0.742 -7.820 727 HD11 LEU 90 HD11 LEU 90 -8.387 -1.646 -7.478 728 HD12 LEU 90 HD12 LEU 90 -8.858 -1.806 -9.171 729 HD13 LEU 90 HD13 LEU 90 -9.801 -0.786 -8.082 730 HD21 LEU 90 HD21 LEU 90 -5.837 0.519 -9.102 731 HD22 LEU 90 HD22 LEU 90 -6.396 -1.019 -9.763 732 HD23 LEU 90 HD23 LEU 90 -6.083 -0.861 -8.034 733 H TYR 91 H TYR 91 -9.242 3.858 -9.504 734 HA TYR 91 HA TYR 91 -9.115 4.248 -6.755 735 HB2 TYR 91 HB2 TYR 91 -8.316 5.888 -8.438 736 HB3 TYR 91 HB1 TYR 91 -9.980 6.278 -8.857 737 HD1 TYR 91 HD1 TYR 91 -7.532 6.372 -6.031 738 HD2 TYR 91 HD2 TYR 91 -11.155 7.987 -7.611 739 HE1 TYR 91 HE1 TYR 91 -7.519 8.104 -4.299 740 HE2 TYR 91 HE2 TYR 91 -11.123 9.723 -5.873 741 HH TYR 91 HH TYR 91 -8.405 10.369 -3.972 742 H LYS 92 H LYS 92 -11.909 4.733 -8.887 743 HA LYS 92 HA LYS 92 -13.727 5.753 -6.971 744 HB2 LYS 92 HB3 LYS 92 -14.274 4.359 -9.624 745 HB3 LYS 92 HB2 LYS 92 -15.458 5.299 -8.712 746 HG2 LYS 92 HG3 LYS 92 -14.066 7.319 -8.977 747 HG3 LYS 92 HG2 LYS 92 -12.869 6.384 -9.868 748 HD2 LYS 92 HD3 LYS 92 -14.619 5.922 -11.619 749 HD3 LYS 92 HD2 LYS 92 -15.719 6.993 -10.740 750 HE2 LYS 92 HE3 LYS 92 -14.021 8.841 -11.014 751 HE3 LYS 92 HE2 LYS 92 -13.072 7.755 -12.033 752 HZ1 LYS 92 HZ1 LYS 92 -14.972 7.628 -13.542 753 HZ2 LYS 92 HZ2 LYS 92 -14.414 9.213 -13.362 754 HZ3 LYS 92 HZ3 LYS 92 -15.827 8.719 -12.573 755 H LYS 93 H LYS 93 -12.891 2.465 -7.874 756 HA LYS 93 HA LYS 93 -14.991 1.138 -6.417 757 HB2 LYS 93 HB3 LYS 93 -12.318 0.142 -7.488 758 HB3 LYS 93 HB2 LYS 93 -13.486 -0.908 -6.692 759 HG2 LYS 93 HG3 LYS 93 -14.008 0.658 -9.245 760 HG3 LYS 93 HG2 LYS 93 -13.568 -1.052 -9.171 761 HD2 LYS 93 HD3 LYS 93 -15.648 -1.508 -7.870 762 HD3 LYS 93 HD2 LYS 93 -16.089 0.197 -7.995 763 HE2 LYS 93 HE3 LYS 93 -16.198 -0.034 -10.469 764 HE3 LYS 93 HE2 LYS 93 -15.797 -1.748 -10.317 765 HZ1 LYS 93 HZ1 LYS 93 -18.172 -1.407 -10.558 766 HZ2 LYS 93 HZ2 LYS 93 -18.203 -0.426 -9.183 767 HZ3 LYS 93 HZ3 LYS 93 -17.822 -2.068 -9.039 768 H VAL 94 H VAL 94 -11.568 1.902 -5.710 769 HA VAL 94 HA VAL 94 -11.451 0.470 -3.233 770 HB VAL 94 HB VAL 94 -9.570 2.612 -4.315 771 HG11 VAL 94 HG11 VAL 94 -9.226 2.347 -1.890 772 HG12 VAL 94 HG12 VAL 94 -7.859 1.669 -2.774 773 HG13 VAL 94 HG13 VAL 94 -9.079 0.597 -2.079 774 HG21 VAL 94 HG21 VAL 94 -9.791 0.673 -5.821 775 HG22 VAL 94 HG22 VAL 94 -9.392 -0.420 -4.493 776 HG23 VAL 94 HG23 VAL 94 -8.187 0.724 -5.089 777 H THR 95 H THR 95 -11.835 3.958 -3.956 778 HA THR 95 HA THR 95 -11.959 4.672 -1.122 779 HB THR 95 HB THR 95 -12.113 7.013 -1.875 780 HG1 THR 95 HG1 THR 95 -12.205 7.531 -4.069 781 HG21 THR 95 HG21 THR 95 -9.943 7.196 -3.025 782 HG22 THR 95 HG22 THR 95 -10.000 5.484 -3.444 783 HG23 THR 95 HG23 THR 95 -9.864 5.978 -1.753 784 H GLY 96 H GLY 96 -14.148 4.729 -3.947 785 HA2 GLY 96 HA3 GLY 96 -16.446 4.032 -3.757 786 HA3 GLY 96 HA2 GLY 96 -16.487 4.654 -2.118 787 H LYS 97 H LYS 97 -16.157 5.683 -5.516 788 HA LYS 97 HA LYS 97 -18.084 7.858 -5.059 789 HB2 LYS 97 HB3 LYS 97 -16.715 9.480 -6.403 790 HB3 LYS 97 HB2 LYS 97 -15.976 9.056 -4.864 791 HG2 LYS 97 HG3 LYS 97 -14.318 7.698 -5.900 792 HG3 LYS 97 HG2 LYS 97 -15.176 7.678 -7.437 793 HD2 LYS 97 HD3 LYS 97 -13.203 9.128 -7.559 794 HD3 LYS 97 HD2 LYS 97 -14.682 10.067 -7.774 795 HE2 LYS 97 HE3 LYS 97 -14.530 10.902 -5.488 796 HE3 LYS 97 HE2 LYS 97 -13.141 9.861 -5.162 797 HZ1 LYS 97 HZ1 LYS 97 -12.439 12.104 -5.619 798 HZ2 LYS 97 HZ2 LYS 97 -13.230 12.093 -7.110 799 HZ3 LYS 97 HZ3 LYS 97 -11.898 11.084 -6.858 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 13.846 -5.066 15.350 2 H2 MET 1 HT2 MET 1 14.105 -6.730 15.508 3 H3 MET 1 HT3 MET 1 14.167 -5.729 16.869 4 HA MET 1 HA MET 1 11.761 -6.178 15.212 5 HB2 MET 1 HB2 MET 1 12.406 -8.242 16.410 6 HB3 MET 1 HB1 MET 1 12.497 -7.358 17.926 7 HG2 MET 1 HG2 MET 1 10.080 -6.963 17.858 8 HG3 MET 1 HG1 MET 1 9.976 -7.790 16.302 9 HE1 MET 1 HE1 MET 1 8.262 -8.465 19.006 10 HE2 MET 1 HE2 MET 1 8.263 -10.227 18.950 11 HE3 MET 1 HE3 MET 1 7.992 -9.300 17.476 12 H SER 2 H SER 2 10.355 -4.551 15.440 13 HA SER 2 HA SER 2 9.989 -3.114 17.957 14 HB2 SER 2 HB3 SER 2 10.166 -0.875 16.819 15 HB3 SER 2 HB2 SER 2 11.701 -1.739 16.865 16 HG SER 2 HG SER 2 9.926 -1.559 14.642 17 H ASP 3 H ASP 3 7.936 -4.022 18.083 18 HA ASP 3 HA ASP 3 6.075 -3.948 15.857 19 HB2 ASP 3 HB3 ASP 3 6.114 -5.884 17.387 20 HB3 ASP 3 HB2 ASP 3 5.690 -4.844 18.745 21 H TYR 4 H TYR 4 6.092 -1.681 15.550 22 HA TYR 4 HA TYR 4 4.076 -0.193 17.114 23 HB2 TYR 4 HB2 TYR 4 6.823 0.918 16.360 24 HB3 TYR 4 HB1 TYR 4 5.493 1.900 16.962 25 HD1 TYR 4 HD1 TYR 4 4.789 1.740 19.350 26 HD2 TYR 4 HD2 TYR 4 8.129 -0.500 17.897 27 HE1 TYR 4 HE1 TYR 4 5.511 1.310 21.661 28 HE2 TYR 4 HE2 TYR 4 8.842 -0.922 20.208 29 HH TYR 4 HH TYR 4 8.592 0.045 22.420 30 H GLU 5 H GLU 5 5.543 -1.016 14.106 31 HA GLU 5 HA GLU 5 4.538 1.198 12.542 32 HB2 GLU 5 HB3 GLU 5 5.669 -1.447 11.520 33 HB3 GLU 5 HB2 GLU 5 5.522 0.063 10.626 34 HG2 GLU 5 HG3 GLU 5 7.172 1.073 12.287 35 HG3 GLU 5 HG2 GLU 5 7.422 -0.554 12.914 36 H ASN 6 H ASN 6 2.301 1.262 12.604 37 HA ASN 6 HA ASN 6 0.889 -0.655 10.968 38 HB2 ASN 6 HB3 ASN 6 -0.907 -1.136 12.663 39 HB3 ASN 6 HB2 ASN 6 0.658 -1.825 13.082 40 HD21 ASN 6 HD21 ASN 6 1.801 -0.967 14.841 41 HD22 ASN 6 HD22 ASN 6 1.042 0.034 16.026 42 H ASP 7 H ASP 7 -0.635 0.286 9.800 43 HA ASP 7 HA ASP 7 -2.216 2.556 10.785 44 HB2 ASP 7 HB3 ASP 7 -0.303 3.478 9.388 45 HB3 ASP 7 HB2 ASP 7 -0.905 2.549 8.026 46 H ASP 8 H ASP 8 -2.695 -0.278 10.508 47 HA ASP 8 HA ASP 8 -3.894 -1.071 8.092 48 HB2 ASP 8 HB3 ASP 8 -4.703 -3.043 9.414 49 HB3 ASP 8 HB2 ASP 8 -2.981 -2.717 9.561 50 H GLU 9 H GLU 9 -5.245 0.984 10.446 51 HA GLU 9 HA GLU 9 -8.022 0.473 10.060 52 HB2 GLU 9 HB3 GLU 9 -6.912 1.946 11.854 53 HB3 GLU 9 HB2 GLU 9 -6.745 3.190 10.628 54 HG2 GLU 9 HG3 GLU 9 -9.434 2.030 11.430 55 HG3 GLU 9 HG2 GLU 9 -8.703 3.387 12.279 56 H CYS 10 H CYS 10 -5.731 2.654 8.428 57 HA CYS 10 HA CYS 10 -7.526 3.539 6.360 58 HB2 CYS 10 HB3 CYS 10 -4.483 3.651 6.374 59 HB3 CYS 10 HB2 CYS 10 -5.585 4.690 5.466 60 H TRP 11 H TRP 11 -4.934 1.117 6.552 61 HA TRP 11 HA TRP 11 -5.062 0.344 3.782 62 HB2 TRP 11 HB2 TRP 11 -3.562 -0.882 6.130 63 HB3 TRP 11 HB1 TRP 11 -3.378 -1.394 4.453 64 HD1 TRP 11 HD1 TRP 11 -2.338 1.407 6.837 65 HE1 TRP 11 HE1 TRP 11 -0.627 2.926 5.687 66 HE3 TRP 11 HE3 TRP 11 -2.637 -0.486 2.110 67 HZ2 TRP 11 HZ2 TRP 11 0.460 3.287 3.115 68 HZ3 TRP 11 HZ3 TRP 11 -1.231 0.511 0.346 69 HH2 TRP 11 HH2 TRP 11 0.286 2.360 0.840 70 H SER 12 H SER 12 -7.003 -0.564 6.464 71 HA SER 12 HA SER 12 -7.481 -3.307 6.095 72 HB2 SER 12 HB3 SER 12 -9.682 -2.935 7.214 73 HB3 SER 12 HB2 SER 12 -8.374 -2.089 8.039 74 HG SER 12 HG SER 12 -9.677 -0.444 7.847 75 H VAL 13 H VAL 13 -9.363 -0.600 4.719 76 HA VAL 13 HA VAL 13 -11.177 -2.075 3.156 77 HB VAL 13 HB VAL 13 -10.122 0.734 2.572 78 HG11 VAL 13 HG11 VAL 13 -11.387 -0.169 0.663 79 HG12 VAL 13 HG12 VAL 13 -12.306 1.118 1.445 80 HG13 VAL 13 HG13 VAL 13 -12.742 -0.571 1.721 81 HG21 VAL 13 HG21 VAL 13 -10.942 0.618 4.880 82 HG22 VAL 13 HG22 VAL 13 -12.461 -0.097 4.336 83 HG23 VAL 13 HG23 VAL 13 -12.059 1.564 3.892 84 H LEU 14 H LEU 14 -8.033 -0.660 2.312 85 HA LEU 14 HA LEU 14 -7.941 -1.284 -0.434 86 HB2 LEU 14 HB3 LEU 14 -5.547 -1.133 1.437 87 HB3 LEU 14 HB2 LEU 14 -5.554 -0.857 -0.303 88 HG LEU 14 HG LEU 14 -6.808 0.930 1.820 89 HD11 LEU 14 HD11 LEU 14 -5.115 2.571 1.070 90 HD12 LEU 14 HD12 LEU 14 -4.391 1.330 0.045 91 HD13 LEU 14 HD13 LEU 14 -4.419 1.128 1.798 92 HD21 LEU 14 HD21 LEU 14 -8.223 1.004 -0.166 93 HD22 LEU 14 HD22 LEU 14 -6.825 1.318 -1.196 94 HD23 LEU 14 HD23 LEU 14 -7.332 2.516 -0.002 95 H GLU 15 H GLU 15 -6.742 -3.074 2.378 96 HA GLU 15 HA GLU 15 -5.637 -5.340 1.191 97 HB2 GLU 15 HB3 GLU 15 -5.348 -4.807 3.563 98 HB3 GLU 15 HB2 GLU 15 -7.066 -5.015 3.861 99 HG2 GLU 15 HG3 GLU 15 -5.795 -6.915 4.709 100 HG3 GLU 15 HG2 GLU 15 -6.883 -7.417 3.416 101 H GLY 16 H GLY 16 -9.007 -4.704 2.165 102 HA2 GLY 16 HA3 GLY 16 -10.219 -7.131 1.448 103 HA3 GLY 16 HA2 GLY 16 -11.020 -5.568 1.478 104 H PHE 17 H PHE 17 -9.069 -4.510 -0.590 105 HA PHE 17 HA PHE 17 -10.217 -5.802 -3.017 106 HB2 PHE 17 HB2 PHE 17 -9.309 -2.920 -2.551 107 HB3 PHE 17 HB1 PHE 17 -9.801 -3.558 -4.114 108 HD1 PHE 17 HD1 PHE 17 -12.173 -4.195 -4.523 109 HD2 PHE 17 HD2 PHE 17 -10.986 -2.323 -0.877 110 HE1 PHE 17 HE1 PHE 17 -14.518 -3.652 -4.031 111 HE2 PHE 17 HE2 PHE 17 -13.336 -1.787 -0.385 112 HZ PHE 17 HZ PHE 17 -15.105 -2.453 -1.965 113 H ARG 18 H ARG 18 -7.554 -6.331 -1.400 114 HA ARG 18 HA ARG 18 -5.324 -5.329 -2.724 115 HB2 ARG 18 HB3 ARG 18 -5.042 -6.483 -0.600 116 HB3 ARG 18 HB2 ARG 18 -5.607 -8.001 -1.291 117 HG2 ARG 18 HG3 ARG 18 -3.597 -8.033 -2.785 118 HG3 ARG 18 HG2 ARG 18 -3.025 -6.559 -2.005 119 HD2 ARG 18 HD3 ARG 18 -3.544 -9.131 -0.485 120 HD3 ARG 18 HD2 ARG 18 -1.987 -8.759 -1.228 121 HE ARG 18 HE ARG 18 -3.233 -7.099 0.889 122 HH11 ARG 18 HH11 ARG 18 -0.415 -8.575 -0.465 123 HH12 ARG 18 HH12 ARG 18 0.617 -7.980 0.784 124 HH21 ARG 18 HH21 ARG 18 -1.882 -6.360 2.468 125 HH22 ARG 18 HH22 ARG 18 -0.197 -6.751 2.422 126 H VAL 19 H VAL 19 -7.060 -8.372 -3.519 127 HA VAL 19 HA VAL 19 -5.332 -9.360 -5.504 128 HB VAL 19 HB VAL 19 -8.361 -9.685 -5.293 129 HG11 VAL 19 HG11 VAL 19 -8.089 -11.738 -6.669 130 HG12 VAL 19 HG12 VAL 19 -6.385 -11.349 -6.910 131 HG13 VAL 19 HG13 VAL 19 -7.633 -10.288 -7.566 132 HG21 VAL 19 HG21 VAL 19 -6.107 -11.463 -4.269 133 HG22 VAL 19 HG22 VAL 19 -7.830 -11.836 -4.173 134 HG23 VAL 19 HG23 VAL 19 -7.175 -10.463 -3.281 135 H THR 20 H THR 20 -8.146 -7.187 -5.877 136 HA THR 20 HA THR 20 -8.017 -6.823 -8.690 137 HB THR 20 HB THR 20 -9.149 -4.874 -6.628 138 HG1 THR 20 HG1 THR 20 -10.494 -7.025 -7.947 139 HG21 THR 20 HG21 THR 20 -9.031 -3.911 -8.906 140 HG22 THR 20 HG22 THR 20 -10.705 -4.216 -8.441 141 HG23 THR 20 HG23 THR 20 -9.888 -5.316 -9.552 142 H LEU 21 H LEU 21 -6.761 -4.853 -5.992 143 HA LEU 21 HA LEU 21 -5.571 -2.719 -7.330 144 HB2 LEU 21 HB3 LEU 21 -4.739 -4.140 -4.772 145 HB3 LEU 21 HB2 LEU 21 -3.985 -2.647 -5.316 146 HG LEU 21 HG LEU 21 -6.938 -2.931 -4.622 147 HD11 LEU 21 HD11 LEU 21 -6.411 -1.648 -2.593 148 HD12 LEU 21 HD12 LEU 21 -4.694 -1.685 -3.000 149 HD13 LEU 21 HD13 LEU 21 -5.546 -3.184 -2.622 150 HD21 LEU 21 HD21 LEU 21 -6.549 -1.191 -6.298 151 HD22 LEU 21 HD22 LEU 21 -5.282 -0.473 -5.299 152 HD23 LEU 21 HD23 LEU 21 -6.958 -0.462 -4.747 153 H THR 22 H THR 22 -3.905 -5.640 -6.187 154 HA THR 22 HA THR 22 -1.389 -5.166 -7.260 155 HB THR 22 HB THR 22 -0.959 -7.590 -6.861 156 HG1 THR 22 HG1 THR 22 -3.783 -7.642 -6.421 157 HG21 THR 22 HG21 THR 22 -1.436 -7.620 -4.443 158 HG22 THR 22 HG22 THR 22 -2.547 -6.263 -4.632 159 HG23 THR 22 HG23 THR 22 -0.822 -6.045 -4.943 160 H SER 23 H SER 23 -4.211 -6.470 -8.849 161 HA SER 23 HA SER 23 -2.799 -7.523 -11.163 162 HB2 SER 23 HB3 SER 23 -5.780 -7.100 -10.683 163 HB3 SER 23 HB2 SER 23 -5.086 -7.945 -12.072 164 HG SER 23 HG SER 23 -4.640 -8.688 -9.367 165 H VAL 24 H VAL 24 -4.893 -4.636 -10.525 166 HA VAL 24 HA VAL 24 -4.649 -3.682 -13.268 167 HB VAL 24 HB VAL 24 -5.870 -2.243 -10.870 168 HG11 VAL 24 HG11 VAL 24 -5.336 -0.668 -12.690 169 HG12 VAL 24 HG12 VAL 24 -7.083 -0.865 -12.542 170 HG13 VAL 24 HG13 VAL 24 -6.210 -1.677 -13.847 171 HG21 VAL 24 HG21 VAL 24 -7.015 -4.382 -11.274 172 HG22 VAL 24 HG22 VAL 24 -7.246 -3.960 -12.972 173 HG23 VAL 24 HG23 VAL 24 -8.063 -3.029 -11.712 174 H ILE 25 H ILE 25 -3.424 -2.562 -10.104 175 HA ILE 25 HA ILE 25 -2.019 -0.279 -10.927 176 HB ILE 25 HB ILE 25 -1.316 -2.133 -8.603 177 HG12 ILE 25 HG12 ILE 25 -2.974 0.428 -8.606 178 HG13 ILE 25 HG11 ILE 25 -3.625 -1.203 -8.474 179 HG21 ILE 25 HG21 ILE 25 -0.102 -0.200 -7.618 180 HG22 ILE 25 HG22 ILE 25 -0.429 0.750 -9.067 181 HG23 ILE 25 HG23 ILE 25 0.605 -0.674 -9.164 182 HD11 ILE 25 HD11 ILE 25 -2.462 -1.491 -6.341 183 HD12 ILE 25 HD12 ILE 25 -3.552 -0.107 -6.325 184 HD13 ILE 25 HD13 ILE 25 -1.815 0.148 -6.474 185 H ASP 26 H ASP 26 -0.340 -0.109 -12.252 186 HA ASP 26 HA ASP 26 1.661 -2.247 -12.502 187 HB2 ASP 26 HB3 ASP 26 0.615 -1.027 -14.530 188 HB3 ASP 26 HB2 ASP 26 1.556 0.378 -14.042 189 HA PRO 27 HA PRO 27 3.585 0.341 -9.219 190 HB2 PRO 27 HB3 PRO 27 5.446 -1.474 -8.361 191 HB3 PRO 27 HB2 PRO 27 3.733 -1.589 -7.928 192 HG2 PRO 27 HG3 PRO 27 5.237 -3.054 -10.099 193 HG3 PRO 27 HG2 PRO 27 4.077 -3.701 -8.918 194 HD2 PRO 27 HD3 PRO 27 3.364 -3.108 -11.480 195 HD3 PRO 27 HD2 PRO 27 2.233 -2.937 -10.122 196 H SER 28 H SER 28 5.289 -1.352 -11.806 197 HA SER 28 HA SER 28 7.770 0.056 -11.642 198 HB2 SER 28 HB3 SER 28 8.084 -1.000 -13.994 199 HB3 SER 28 HB2 SER 28 7.893 -2.092 -12.626 200 HG SER 28 HG SER 28 5.916 -1.357 -14.521 201 H ARG 29 H ARG 29 4.734 0.732 -13.211 202 HA ARG 29 HA ARG 29 5.604 2.869 -14.916 203 HB2 ARG 29 HB3 ARG 29 3.480 1.717 -15.313 204 HB3 ARG 29 HB2 ARG 29 2.886 2.171 -13.726 205 HG2 ARG 29 HG3 ARG 29 1.819 3.493 -15.486 206 HG3 ARG 29 HG2 ARG 29 2.764 4.526 -14.412 207 HD2 ARG 29 HD3 ARG 29 4.553 4.681 -16.075 208 HD3 ARG 29 HD2 ARG 29 3.714 3.530 -17.122 209 HE ARG 29 HE ARG 29 1.932 5.196 -17.362 210 HH11 ARG 29 HH11 ARG 29 5.003 6.407 -16.312 211 HH12 ARG 29 HH12 ARG 29 4.684 7.988 -16.929 212 HH21 ARG 29 HH21 ARG 29 1.556 7.224 -18.090 213 HH22 ARG 29 HH22 ARG 29 2.772 8.442 -17.916 214 H ILE 30 H ILE 30 4.361 2.680 -11.585 215 HA ILE 30 HA ILE 30 4.459 5.610 -11.284 216 HB ILE 30 HB ILE 30 3.138 5.318 -9.244 217 HG12 ILE 30 HG12 ILE 30 3.283 2.302 -9.750 218 HG13 ILE 30 HG11 ILE 30 4.139 3.146 -8.467 219 HG21 ILE 30 HG21 ILE 30 1.982 3.674 -11.533 220 HG22 ILE 30 HG22 ILE 30 1.931 5.432 -11.395 221 HG23 ILE 30 HG23 ILE 30 1.057 4.435 -10.234 222 HD11 ILE 30 HD11 ILE 30 1.155 2.844 -8.745 223 HD12 ILE 30 HD12 ILE 30 1.960 3.798 -7.495 224 HD13 ILE 30 HD13 ILE 30 2.208 2.052 -7.574 225 H THR 31 H THR 31 6.817 3.382 -10.955 226 HA THR 31 HA THR 31 7.813 3.623 -8.350 227 HB THR 31 HB THR 31 10.173 3.259 -9.425 228 HG1 THR 31 HG1 THR 31 10.289 3.216 -11.508 229 HG21 THR 31 HG21 THR 31 8.895 1.424 -8.393 230 HG22 THR 31 HG22 THR 31 9.770 0.880 -9.831 231 HG23 THR 31 HG23 THR 31 8.031 1.174 -9.910 232 HA PRO 32 HA PRO 32 10.409 7.624 -9.446 233 HB2 PRO 32 HB3 PRO 32 9.797 9.119 -11.639 234 HB3 PRO 32 HB2 PRO 32 10.896 7.733 -11.735 235 HG2 PRO 32 HG3 PRO 32 7.949 7.850 -12.400 236 HG3 PRO 32 HG2 PRO 32 9.279 7.169 -13.362 237 HD2 PRO 32 HD3 PRO 32 7.685 5.604 -11.825 238 HD3 PRO 32 HD2 PRO 32 9.410 5.239 -12.054 239 H TYR 33 H TYR 33 6.986 7.511 -10.212 240 HA TYR 33 HA TYR 33 6.175 10.060 -9.282 241 HB2 TYR 33 HB2 TYR 33 4.743 8.750 -10.760 242 HB3 TYR 33 HB1 TYR 33 4.666 7.433 -9.596 243 HD1 TYR 33 HD1 TYR 33 2.948 7.397 -7.922 244 HD2 TYR 33 HD2 TYR 33 3.680 11.013 -10.099 245 HE1 TYR 33 HE1 TYR 33 0.965 8.425 -6.908 246 HE2 TYR 33 HE2 TYR 33 1.678 12.015 -9.086 247 HH TYR 33 HH TYR 33 -0.453 11.237 -8.059 248 H LEU 34 H LEU 34 6.440 6.889 -7.704 249 HA LEU 34 HA LEU 34 5.457 7.746 -5.152 250 HB2 LEU 34 HB3 LEU 34 7.037 5.281 -5.960 251 HB3 LEU 34 HB2 LEU 34 6.378 5.544 -4.352 252 HG LEU 34 HG LEU 34 4.769 5.170 -6.912 253 HD11 LEU 34 HD11 LEU 34 5.076 3.346 -4.506 254 HD12 LEU 34 HD12 LEU 34 5.778 3.097 -6.106 255 HD13 LEU 34 HD13 LEU 34 4.030 3.062 -5.901 256 HD21 LEU 34 HD21 LEU 34 2.751 5.197 -5.498 257 HD22 LEU 34 HD22 LEU 34 3.594 6.742 -5.439 258 HD23 LEU 34 HD23 LEU 34 3.730 5.613 -4.087 259 H ARG 35 H ARG 35 8.722 7.363 -6.597 260 HA ARG 35 HA ARG 35 10.230 8.057 -4.308 261 HB2 ARG 35 HB3 ARG 35 10.833 8.405 -7.248 262 HB3 ARG 35 HB2 ARG 35 11.975 8.903 -6.002 263 HG2 ARG 35 HG3 ARG 35 11.921 6.523 -5.129 264 HG3 ARG 35 HG2 ARG 35 10.988 6.091 -6.572 265 HD2 ARG 35 HD3 ARG 35 13.765 7.340 -6.562 266 HD3 ARG 35 HD2 ARG 35 13.402 5.635 -6.849 267 HE ARG 35 HE ARG 35 12.074 6.456 -8.826 268 HH11 ARG 35 HH11 ARG 35 14.797 8.304 -7.733 269 HH12 ARG 35 HH12 ARG 35 15.167 8.859 -9.326 270 HH21 ARG 35 HH21 ARG 35 12.563 7.195 -10.817 271 HH22 ARG 35 HH22 ARG 35 13.912 8.251 -11.044 272 H GLN 36 H GLN 36 8.961 10.270 -6.882 273 HA GLN 36 HA GLN 36 10.010 12.659 -5.752 274 HB2 GLN 36 HB3 GLN 36 8.535 13.893 -7.265 275 HB3 GLN 36 HB2 GLN 36 9.273 12.537 -8.114 276 HG2 GLN 36 HG3 GLN 36 7.196 11.250 -7.893 277 HG3 GLN 36 HG2 GLN 36 6.450 12.571 -7.001 278 HE21 GLN 36 HE21 GLN 36 4.783 12.675 -8.530 279 HE22 GLN 36 HE22 GLN 36 5.019 13.370 -10.092 280 H CYS 37 H CYS 37 6.991 10.922 -5.143 281 HA CYS 37 HA CYS 37 5.863 12.915 -3.372 282 HB2 CYS 37 HB3 CYS 37 4.451 11.280 -4.623 283 HB3 CYS 37 HB2 CYS 37 5.125 9.976 -3.651 284 HG CYS 37 HG CYS 37 2.423 10.949 -2.965 285 H LYS 38 H LYS 38 8.461 10.862 -3.027 286 HA LYS 38 HA LYS 38 9.879 10.350 -1.370 287 HB2 LYS 38 HB3 LYS 38 8.250 12.247 0.375 288 HB3 LYS 38 HB2 LYS 38 9.893 11.697 0.690 289 HG2 LYS 38 HG3 LYS 38 9.037 13.447 -1.647 290 HG3 LYS 38 HG2 LYS 38 9.807 14.016 -0.164 291 HD2 LYS 38 HD3 LYS 38 11.822 12.645 -0.724 292 HD3 LYS 38 HD2 LYS 38 11.050 12.162 -2.239 293 HE2 LYS 38 HE3 LYS 38 11.018 14.500 -2.994 294 HE3 LYS 38 HE2 LYS 38 11.699 15.030 -1.454 295 HZ1 LYS 38 HZ1 LYS 38 13.054 13.274 -3.429 296 HZ2 LYS 38 HZ2 LYS 38 13.706 13.790 -1.956 297 HZ3 LYS 38 HZ3 LYS 38 13.371 14.914 -3.172 298 H VAL 39 H VAL 39 7.842 8.505 -1.800 299 HA VAL 39 HA VAL 39 7.513 7.291 0.898 300 HB VAL 39 HB VAL 39 5.484 6.146 0.160 301 HG11 VAL 39 HG11 VAL 39 5.196 8.370 1.162 302 HG12 VAL 39 HG12 VAL 39 3.942 8.064 -0.038 303 HG13 VAL 39 HG13 VAL 39 5.298 9.126 -0.430 304 HG21 VAL 39 HG21 VAL 39 4.407 6.595 -2.029 305 HG22 VAL 39 HG22 VAL 39 5.989 5.843 -2.230 306 HG23 VAL 39 HG23 VAL 39 5.799 7.572 -2.513 307 H LEU 40 H LEU 40 8.887 6.878 -2.251 308 HA LEU 40 HA LEU 40 9.438 3.999 -1.710 309 HB2 LEU 40 HB3 LEU 40 8.004 4.583 -3.769 310 HB3 LEU 40 HB2 LEU 40 9.452 5.288 -4.464 311 HG LEU 40 HG LEU 40 10.575 3.020 -4.241 312 HD11 LEU 40 HD11 LEU 40 7.768 2.088 -3.561 313 HD12 LEU 40 HD12 LEU 40 9.175 2.057 -2.493 314 HD13 LEU 40 HD13 LEU 40 9.142 1.043 -3.931 315 HD21 LEU 40 HD21 LEU 40 9.682 3.774 -6.398 316 HD22 LEU 40 HD22 LEU 40 8.093 3.119 -5.989 317 HD23 LEU 40 HD23 LEU 40 9.471 2.033 -6.204 318 H ASN 41 H ASN 41 11.523 3.352 -1.629 319 HA ASN 41 HA ASN 41 13.715 5.260 -2.104 320 HB2 ASN 41 HB3 ASN 41 13.734 2.456 -0.896 321 HB3 ASN 41 HB2 ASN 41 15.114 3.553 -0.948 322 HD21 ASN 41 HD21 ASN 41 13.551 2.320 1.298 323 HD22 ASN 41 HD22 ASN 41 13.126 3.649 2.315 324 HA PRO 42 HA PRO 42 15.006 3.421 -6.043 325 HB2 PRO 42 HB3 PRO 42 17.777 3.432 -5.806 326 HB3 PRO 42 HB2 PRO 42 16.812 4.867 -6.179 327 HG2 PRO 42 HG3 PRO 42 17.879 3.947 -3.507 328 HG3 PRO 42 HG2 PRO 42 17.927 5.572 -4.227 329 HD2 PRO 42 HD3 PRO 42 16.089 4.963 -2.377 330 HD3 PRO 42 HD2 PRO 42 15.652 5.978 -3.771 331 H ASP 43 H ASP 43 16.015 1.960 -3.035 332 HA ASP 43 HA ASP 43 16.999 -0.536 -3.995 333 HB2 ASP 43 HB3 ASP 43 15.704 0.124 -1.313 334 HB3 ASP 43 HB2 ASP 43 16.705 -1.289 -1.660 335 H ASP 44 H ASP 44 13.815 0.398 -2.633 336 HA ASP 44 HA ASP 44 12.436 -2.025 -3.176 337 HB2 ASP 44 HB3 ASP 44 11.224 0.761 -2.905 338 HB3 ASP 44 HB2 ASP 44 10.394 -0.776 -2.655 339 H GLU 45 H GLU 45 12.785 0.992 -4.968 340 HA GLU 45 HA GLU 45 11.123 0.532 -7.156 341 HB2 GLU 45 HB3 GLU 45 12.101 2.725 -6.796 342 HB3 GLU 45 HB2 GLU 45 13.734 2.083 -6.949 343 HG2 GLU 45 HG3 GLU 45 13.375 1.615 -9.315 344 HG3 GLU 45 HG2 GLU 45 11.695 2.125 -9.183 345 H GLU 46 H GLU 46 14.588 -0.321 -6.754 346 HA GLU 46 HA GLU 46 14.962 -1.515 -9.293 347 HB2 GLU 46 HB3 GLU 46 16.821 -0.795 -7.757 348 HB3 GLU 46 HB2 GLU 46 16.455 -2.170 -6.718 349 HG2 GLU 46 HG3 GLU 46 16.921 -3.669 -8.729 350 HG3 GLU 46 HG2 GLU 46 17.519 -2.234 -9.559 351 H GLN 47 H GLN 47 13.945 -2.903 -6.159 352 HA GLN 47 HA GLN 47 13.726 -5.616 -6.830 353 HB2 GLN 47 HB3 GLN 47 13.462 -4.919 -4.524 354 HB3 GLN 47 HB2 GLN 47 12.092 -3.898 -4.922 355 HG2 GLN 47 HG3 GLN 47 11.354 -5.894 -3.736 356 HG3 GLN 47 HG2 GLN 47 10.713 -5.889 -5.375 357 HE21 GLN 47 HE21 GLN 47 12.952 -7.425 -3.180 358 HE22 GLN 47 HE22 GLN 47 13.247 -8.825 -4.141 359 H VAL 48 H VAL 48 11.270 -3.031 -7.151 360 HA VAL 48 HA VAL 48 9.251 -4.574 -8.394 361 HB VAL 48 HB VAL 48 9.792 -1.575 -8.532 362 HG11 VAL 48 HG11 VAL 48 7.435 -1.334 -9.274 363 HG12 VAL 48 HG12 VAL 48 7.297 -3.090 -9.392 364 HG13 VAL 48 HG13 VAL 48 8.408 -2.218 -10.450 365 HG21 VAL 48 HG21 VAL 48 8.003 -1.397 -6.830 366 HG22 VAL 48 HG22 VAL 48 9.321 -2.412 -6.247 367 HG23 VAL 48 HG23 VAL 48 7.824 -3.155 -6.816 368 H LEU 49 H LEU 49 11.893 -2.668 -9.813 369 HA LEU 49 HA LEU 49 11.060 -3.043 -12.561 370 HB2 LEU 49 HB3 LEU 49 13.570 -1.800 -11.378 371 HB3 LEU 49 HB2 LEU 49 13.167 -1.785 -13.090 372 HG LEU 49 HG LEU 49 11.565 -0.414 -10.887 373 HD11 LEU 49 HD11 LEU 49 12.309 1.686 -11.877 374 HD12 LEU 49 HD12 LEU 49 13.301 0.812 -13.052 375 HD13 LEU 49 HD13 LEU 49 13.685 0.731 -11.330 376 HD21 LEU 49 HD21 LEU 49 10.224 0.558 -12.695 377 HD22 LEU 49 HD22 LEU 49 10.102 -1.200 -12.687 378 HD23 LEU 49 HD23 LEU 49 11.115 -0.392 -13.888 379 H SER 50 H SER 50 12.791 -4.980 -10.396 380 HA SER 50 HA SER 50 14.877 -6.061 -11.960 381 HB2 SER 50 HB3 SER 50 14.746 -6.342 -9.502 382 HB3 SER 50 HB2 SER 50 13.338 -7.385 -9.686 383 HG SER 50 HG SER 50 15.795 -8.005 -10.962 384 H ASP 51 H ASP 51 11.452 -6.693 -12.083 385 HA ASP 51 HA ASP 51 11.703 -9.254 -13.462 386 HB2 ASP 51 HB3 ASP 51 9.838 -8.668 -11.840 387 HB3 ASP 51 HB2 ASP 51 9.199 -7.577 -13.062 388 HA PRO 52 HA PRO 52 11.875 -6.992 -17.487 389 HB2 PRO 52 HB3 PRO 52 12.577 -9.118 -19.045 390 HB3 PRO 52 HB2 PRO 52 13.745 -8.302 -17.994 391 HG2 PRO 52 HG3 PRO 52 12.200 -10.852 -17.487 392 HG3 PRO 52 HG2 PRO 52 13.927 -10.526 -17.228 393 HD2 PRO 52 HD3 PRO 52 12.094 -10.434 -15.205 394 HD3 PRO 52 HD2 PRO 52 13.544 -9.399 -15.223 395 H ASN 53 H ASN 53 9.944 -9.744 -16.558 396 HA ASN 53 HA ASN 53 8.252 -9.775 -18.951 397 HB2 ASN 53 HB3 ASN 53 7.878 -11.362 -16.373 398 HB3 ASN 53 HB2 ASN 53 7.213 -11.728 -17.966 399 HD21 ASN 53 HD21 ASN 53 10.024 -11.838 -15.942 400 HD22 ASN 53 HD22 ASN 53 10.976 -12.859 -16.959 401 H LEU 54 H LEU 54 8.214 -8.686 -15.647 402 HA LEU 54 HA LEU 54 6.769 -7.741 -14.235 403 HB2 LEU 54 HB3 LEU 54 5.825 -6.512 -16.828 404 HB3 LEU 54 HB2 LEU 54 5.215 -5.987 -15.264 405 HG LEU 54 HG LEU 54 8.159 -5.911 -16.069 406 HD11 LEU 54 HD11 LEU 54 6.171 -3.628 -15.961 407 HD12 LEU 54 HD12 LEU 54 6.868 -4.345 -17.419 408 HD13 LEU 54 HD13 LEU 54 7.905 -3.495 -16.278 409 HD21 LEU 54 HD21 LEU 54 7.867 -6.128 -13.637 410 HD22 LEU 54 HD22 LEU 54 6.778 -4.738 -13.620 411 HD23 LEU 54 HD23 LEU 54 8.476 -4.527 -14.054 412 H VAL 55 H VAL 55 6.173 -10.322 -14.853 413 HA VAL 55 HA VAL 55 3.243 -10.602 -14.870 414 HB VAL 55 HB VAL 55 4.549 -12.230 -16.179 415 HG11 VAL 55 HG11 VAL 55 5.881 -13.078 -13.578 416 HG12 VAL 55 HG12 VAL 55 6.662 -12.233 -14.915 417 HG13 VAL 55 HG13 VAL 55 6.072 -13.881 -15.140 418 HG21 VAL 55 HG21 VAL 55 2.426 -13.024 -15.232 419 HG22 VAL 55 HG22 VAL 55 3.252 -13.553 -13.765 420 HG23 VAL 55 HG23 VAL 55 3.595 -14.345 -15.304 421 H ILE 56 H ILE 56 5.963 -10.620 -12.703 422 HA ILE 56 HA ILE 56 4.585 -11.694 -10.391 423 HB ILE 56 HB ILE 56 7.337 -10.368 -10.499 424 HG12 ILE 56 HG12 ILE 56 6.687 -13.335 -10.866 425 HG13 ILE 56 HG11 ILE 56 7.175 -12.246 -12.160 426 HG21 ILE 56 HG21 ILE 56 6.487 -10.660 -8.204 427 HG22 ILE 56 HG22 ILE 56 7.849 -11.742 -8.497 428 HG23 ILE 56 HG23 ILE 56 6.200 -12.375 -8.511 429 HD11 ILE 56 HD11 ILE 56 9.360 -11.954 -11.084 430 HD12 ILE 56 HD12 ILE 56 9.016 -13.645 -11.446 431 HD13 ILE 56 HD13 ILE 56 8.869 -13.056 -9.792 432 H ARG 57 H ARG 57 4.241 -8.773 -11.885 433 HA ARG 57 HA ARG 57 4.367 -6.758 -9.966 434 HB2 ARG 57 HB3 ARG 57 2.402 -7.161 -12.240 435 HB3 ARG 57 HB2 ARG 57 2.349 -5.727 -11.221 436 HG2 ARG 57 HG3 ARG 57 4.691 -5.196 -11.912 437 HG3 ARG 57 HG2 ARG 57 4.647 -6.581 -13.012 438 HD2 ARG 57 HD3 ARG 57 2.816 -4.145 -13.123 439 HD3 ARG 57 HD2 ARG 57 4.164 -4.487 -14.213 440 HE ARG 57 HE ARG 57 2.832 -6.582 -14.782 441 HH11 ARG 57 HH11 ARG 57 1.254 -3.607 -13.999 442 HH12 ARG 57 HH12 ARG 57 -0.141 -4.009 -14.926 443 HH21 ARG 57 HH21 ARG 57 1.048 -7.053 -15.930 444 HH22 ARG 57 HH22 ARG 57 -0.255 -5.925 -16.001 445 H LYS 58 H LYS 58 1.924 -9.309 -10.260 446 HA LYS 58 HA LYS 58 -0.004 -8.123 -8.505 447 HB2 LYS 58 HB3 LYS 58 -0.559 -9.871 -10.216 448 HB3 LYS 58 HB2 LYS 58 0.283 -11.065 -9.234 449 HG2 LYS 58 HG3 LYS 58 -1.324 -10.722 -7.402 450 HG3 LYS 58 HG2 LYS 58 -2.145 -9.473 -8.345 451 HD2 LYS 58 HD3 LYS 58 -2.758 -11.171 -10.047 452 HD3 LYS 58 HD2 LYS 58 -1.944 -12.416 -9.092 453 HE2 LYS 58 HE3 LYS 58 -3.521 -11.990 -7.221 454 HE3 LYS 58 HE2 LYS 58 -4.344 -10.773 -8.202 455 HZ1 LYS 58 HZ1 LYS 58 -4.111 -13.649 -8.894 456 HZ2 LYS 58 HZ2 LYS 58 -4.968 -12.475 -9.761 457 HZ3 LYS 58 HZ3 LYS 58 -5.471 -12.918 -8.207 458 H ARG 59 H ARG 59 2.803 -10.163 -7.970 459 HA ARG 59 HA ARG 59 2.387 -10.471 -5.114 460 HB2 ARG 59 HB3 ARG 59 3.720 -12.113 -6.357 461 HB3 ARG 59 HB2 ARG 59 4.841 -10.861 -6.878 462 HG2 ARG 59 HG3 ARG 59 5.642 -10.574 -4.574 463 HG3 ARG 59 HG2 ARG 59 4.449 -11.740 -3.992 464 HD2 ARG 59 HD3 ARG 59 5.532 -13.525 -5.300 465 HD3 ARG 59 HD2 ARG 59 6.702 -12.364 -5.936 466 HE ARG 59 HE ARG 59 7.062 -12.134 -3.277 467 HH11 ARG 59 HH11 ARG 59 6.972 -14.957 -5.287 468 HH12 ARG 59 HH12 ARG 59 8.090 -15.816 -4.288 469 HH21 ARG 59 HH21 ARG 59 8.468 -13.260 -2.023 470 HH22 ARG 59 HH22 ARG 59 8.916 -14.873 -2.465 471 H LYS 60 H LYS 60 4.291 -8.329 -7.228 472 HA LYS 60 HA LYS 60 5.867 -7.116 -5.218 473 HB2 LYS 60 HB3 LYS 60 5.254 -6.211 -8.054 474 HB3 LYS 60 HB2 LYS 60 6.442 -5.425 -7.012 475 HG2 LYS 60 HG3 LYS 60 7.704 -7.560 -6.864 476 HG3 LYS 60 HG2 LYS 60 6.538 -8.313 -7.959 477 HD2 LYS 60 HD3 LYS 60 7.169 -6.712 -9.734 478 HD3 LYS 60 HD2 LYS 60 8.306 -5.929 -8.634 479 HE2 LYS 60 HE3 LYS 60 8.483 -8.761 -9.720 480 HE3 LYS 60 HE2 LYS 60 9.519 -7.392 -10.139 481 HZ1 LYS 60 HZ1 LYS 60 10.573 -8.912 -8.570 482 HZ2 LYS 60 HZ2 LYS 60 9.349 -8.635 -7.439 483 HZ3 LYS 60 HZ3 LYS 60 10.379 -7.375 -7.898 484 H VAL 61 H VAL 61 2.760 -6.032 -6.660 485 HA VAL 61 HA VAL 61 2.710 -3.489 -5.344 486 HB VAL 61 HB VAL 61 0.320 -5.111 -6.328 487 HG11 VAL 61 HG11 VAL 61 0.489 -2.146 -5.641 488 HG12 VAL 61 HG12 VAL 61 -0.393 -3.375 -4.733 489 HG13 VAL 61 HG13 VAL 61 -0.912 -2.945 -6.364 490 HG21 VAL 61 HG21 VAL 61 1.858 -2.920 -7.754 491 HG22 VAL 61 HG22 VAL 61 0.392 -3.702 -8.353 492 HG23 VAL 61 HG23 VAL 61 1.876 -4.636 -8.162 493 H GLY 62 H GLY 62 1.448 -6.719 -4.500 494 HA2 GLY 62 HA3 GLY 62 0.130 -6.113 -2.082 495 HA3 GLY 62 HA2 GLY 62 0.849 -7.667 -2.486 496 H VAL 63 H VAL 63 3.523 -7.028 -2.669 497 HA VAL 63 HA VAL 63 4.457 -6.747 0.019 498 HB VAL 63 HB VAL 63 6.032 -6.465 -2.586 499 HG11 VAL 63 HG11 VAL 63 8.039 -7.050 -1.248 500 HG12 VAL 63 HG12 VAL 63 7.064 -7.035 0.225 501 HG13 VAL 63 HG13 VAL 63 7.305 -5.544 -0.688 502 HG21 VAL 63 HG21 VAL 63 6.625 -8.850 -2.305 503 HG22 VAL 63 HG22 VAL 63 4.883 -8.645 -2.467 504 HG23 VAL 63 HG23 VAL 63 5.588 -8.951 -0.879 505 H LEU 64 H LEU 64 4.167 -4.485 -2.694 506 HA LEU 64 HA LEU 64 5.629 -2.292 -1.718 507 HB2 LEU 64 HB3 LEU 64 4.946 -2.523 -4.071 508 HB3 LEU 64 HB2 LEU 64 3.261 -2.351 -3.622 509 HG LEU 64 HG LEU 64 3.708 0.015 -2.920 510 HD11 LEU 64 HD11 LEU 64 6.072 -0.136 -2.346 511 HD12 LEU 64 HD12 LEU 64 5.815 1.111 -3.563 512 HD13 LEU 64 HD13 LEU 64 6.492 -0.450 -4.033 513 HD21 LEU 64 HD21 LEU 64 2.835 -0.452 -5.169 514 HD22 LEU 64 HD22 LEU 64 4.479 -0.612 -5.792 515 HD23 LEU 64 HD23 LEU 64 3.912 0.946 -5.190 516 H LEU 65 H LEU 65 2.169 -3.101 -1.326 517 HA LEU 65 HA LEU 65 1.218 -0.854 0.038 518 HB2 LEU 65 HB3 LEU 65 0.468 -3.760 0.603 519 HB3 LEU 65 HB2 LEU 65 -0.482 -2.353 1.060 520 HG LEU 65 HG LEU 65 0.039 -3.314 -1.782 521 HD11 LEU 65 HD11 LEU 65 -2.364 -3.804 -1.867 522 HD12 LEU 65 HD12 LEU 65 -2.536 -3.326 -0.176 523 HD13 LEU 65 HD13 LEU 65 -1.564 -4.738 -0.603 524 HD21 LEU 65 HD21 LEU 65 -1.503 -1.544 -2.510 525 HD22 LEU 65 HD22 LEU 65 -0.060 -0.881 -1.751 526 HD23 LEU 65 HD23 LEU 65 -1.583 -0.925 -0.856 527 H ASP 66 H ASP 66 2.803 -3.739 1.322 528 HA ASP 66 HA ASP 66 2.756 -3.107 4.080 529 HB2 ASP 66 HB3 ASP 66 3.033 -5.392 3.126 530 HB3 ASP 66 HB2 ASP 66 4.631 -4.945 2.536 531 H ILE 67 H ILE 67 5.223 -2.604 1.572 532 HA ILE 67 HA ILE 67 7.270 -1.406 3.092 533 HB ILE 67 HB ILE 67 6.475 -1.026 0.168 534 HG12 ILE 67 HG12 ILE 67 8.711 -2.707 1.403 535 HG13 ILE 67 HG11 ILE 67 7.165 -3.342 0.856 536 HG21 ILE 67 HG21 ILE 67 8.752 -0.109 -0.249 537 HG22 ILE 67 HG22 ILE 67 9.051 -0.089 1.489 538 HG23 ILE 67 HG23 ILE 67 7.793 0.937 0.800 539 HD11 ILE 67 HD11 ILE 67 8.920 -3.786 -0.748 540 HD12 ILE 67 HD12 ILE 67 9.272 -2.065 -0.889 541 HD13 ILE 67 HD13 ILE 67 7.719 -2.698 -1.445 542 H LEU 68 H LEU 68 4.427 0.042 1.496 543 HA LEU 68 HA LEU 68 5.049 2.764 2.137 544 HB2 LEU 68 HB3 LEU 68 2.424 1.509 1.272 545 HB3 LEU 68 HB2 LEU 68 2.724 3.239 1.367 546 HG LEU 68 HG LEU 68 4.078 1.287 -0.540 547 HD11 LEU 68 HD11 LEU 68 2.063 3.484 -1.107 548 HD12 LEU 68 HD12 LEU 68 1.763 1.745 -1.164 549 HD13 LEU 68 HD13 LEU 68 2.875 2.479 -2.315 550 HD21 LEU 68 HD21 LEU 68 5.665 3.039 0.111 551 HD22 LEU 68 HD22 LEU 68 4.490 4.289 -0.312 552 HD23 LEU 68 HD23 LEU 68 5.161 3.242 -1.566 553 H GLN 69 H GLN 69 3.146 0.240 3.776 554 HA GLN 69 HA GLN 69 1.771 1.699 5.715 555 HB2 GLN 69 HB3 GLN 69 3.080 -1.039 5.883 556 HB3 GLN 69 HB2 GLN 69 2.063 -0.404 7.173 557 HG2 GLN 69 HG3 GLN 69 0.129 -0.359 5.745 558 HG3 GLN 69 HG2 GLN 69 1.099 -0.702 4.319 559 HE21 GLN 69 HE21 GLN 69 -0.189 -2.495 3.805 560 HE22 GLN 69 HE22 GLN 69 -0.096 -3.976 4.685 561 H ARG 70 H ARG 70 5.211 0.890 5.661 562 HA ARG 70 HA ARG 70 5.945 1.600 8.304 563 HB2 ARG 70 HB3 ARG 70 7.529 1.452 5.725 564 HB3 ARG 70 HB2 ARG 70 8.291 1.907 7.247 565 HG2 ARG 70 HG3 ARG 70 7.562 -0.272 8.220 566 HG3 ARG 70 HG2 ARG 70 6.929 -0.734 6.636 567 HD2 ARG 70 HD3 ARG 70 9.134 -0.688 5.664 568 HD3 ARG 70 HD2 ARG 70 9.826 0.048 7.115 569 HE ARG 70 HE ARG 70 8.712 -2.370 7.903 570 HH11 ARG 70 HH11 ARG 70 11.251 -1.375 5.767 571 HH12 ARG 70 HH12 ARG 70 12.183 -2.801 6.057 572 HH21 ARG 70 HH21 ARG 70 9.937 -4.174 8.247 573 HH22 ARG 70 HH22 ARG 70 11.454 -4.345 7.435 574 H THR 71 H THR 71 5.017 3.702 5.714 575 HA THR 71 HA THR 71 6.525 6.027 6.613 576 HB THR 71 HB THR 71 5.237 7.322 5.006 577 HG1 THR 71 HG1 THR 71 3.648 5.270 4.093 578 HG21 THR 71 HG21 THR 71 5.829 4.576 3.821 579 HG22 THR 71 HG22 THR 71 6.994 5.893 4.004 580 HG23 THR 71 HG23 THR 71 5.622 6.071 2.907 581 H GLY 72 H GLY 72 3.725 4.402 7.760 582 HA2 GLY 72 HA3 GLY 72 2.635 4.915 9.777 583 HA3 GLY 72 HA2 GLY 72 3.149 6.589 9.652 584 H HIS 73 H HIS 73 2.177 6.913 6.893 585 HA HIS 73 HA HIS 73 -0.474 6.181 6.419 586 HB2 HIS 73 HB2 HIS 73 -0.990 7.576 8.441 587 HB3 HIS 73 HB1 HIS 73 -0.324 8.984 7.625 588 HD2 HIS 73 HD2 HIS 73 -1.957 10.165 5.702 589 HE1 HIS 73 HE1 HIS 73 -5.308 7.711 6.466 590 HE2 HIS 73 HE2 HIS 73 -4.475 9.790 5.297 591 H LYS 74 H LYS 74 2.151 8.428 5.934 592 HA LYS 74 HA LYS 74 1.394 10.016 3.809 593 HB2 LYS 74 HB3 LYS 74 3.477 10.326 4.998 594 HB3 LYS 74 HB2 LYS 74 4.088 8.768 4.468 595 HG2 LYS 74 HG3 LYS 74 5.212 10.509 3.247 596 HG3 LYS 74 HG2 LYS 74 4.169 9.620 2.138 597 HD2 LYS 74 HD3 LYS 74 2.463 11.455 2.352 598 HD3 LYS 74 HD2 LYS 74 3.616 12.352 3.351 599 HE2 LYS 74 HE3 LYS 74 5.237 12.284 1.428 600 HE3 LYS 74 HE2 LYS 74 3.981 11.528 0.447 601 HZ1 LYS 74 HZ1 LYS 74 3.896 14.228 1.659 602 HZ2 LYS 74 HZ2 LYS 74 2.621 13.512 0.811 603 HZ3 LYS 74 HZ3 LYS 74 4.072 13.855 0.019 604 H GLY 75 H GLY 75 2.333 6.636 3.655 605 HA2 GLY 75 HA3 GLY 75 2.725 6.414 0.825 606 HA3 GLY 75 HA2 GLY 75 2.559 5.087 1.970 607 H TYR 76 H TYR 76 0.006 5.927 3.018 608 HA TYR 76 HA TYR 76 -1.885 4.828 1.237 609 HB2 TYR 76 HB2 TYR 76 -2.250 4.792 3.644 610 HB3 TYR 76 HB1 TYR 76 -2.210 6.547 3.736 611 HD1 TYR 76 HD1 TYR 76 -4.243 7.796 3.537 612 HD2 TYR 76 HD2 TYR 76 -4.209 3.689 2.382 613 HE1 TYR 76 HE1 TYR 76 -6.689 7.840 3.320 614 HE2 TYR 76 HE2 TYR 76 -6.658 3.731 2.166 615 HH TYR 76 HH TYR 76 -8.574 4.993 2.931 616 H VAL 77 H VAL 77 -0.925 8.181 1.872 617 HA VAL 77 HA VAL 77 -2.938 9.519 0.360 618 HB VAL 77 HB VAL 77 -0.097 10.518 0.883 619 HG11 VAL 77 HG11 VAL 77 -2.675 12.064 0.399 620 HG12 VAL 77 HG12 VAL 77 -1.342 11.886 -0.744 621 HG13 VAL 77 HG13 VAL 77 -1.101 12.778 0.759 622 HG21 VAL 77 HG21 VAL 77 -1.076 9.780 3.014 623 HG22 VAL 77 HG22 VAL 77 -2.518 10.755 2.717 624 HG23 VAL 77 HG23 VAL 77 -0.959 11.541 2.969 625 H ALA 78 H ALA 78 0.480 8.814 -0.419 626 HA ALA 78 HA ALA 78 0.521 9.487 -3.138 627 HB1 ALA 78 HB1 ALA 78 2.156 7.363 -1.710 628 HB2 ALA 78 HB2 ALA 78 2.554 9.077 -1.817 629 HB3 ALA 78 HB3 ALA 78 2.545 8.086 -3.276 630 H PHE 79 H PHE 79 -0.488 6.508 -1.537 631 HA PHE 79 HA PHE 79 -0.824 4.847 -3.800 632 HB2 PHE 79 HB2 PHE 79 -0.773 3.974 -1.481 633 HB3 PHE 79 HB1 PHE 79 -2.299 4.781 -1.130 634 HD1 PHE 79 HD1 PHE 79 -4.379 3.705 -1.646 635 HD2 PHE 79 HD2 PHE 79 -0.735 2.169 -3.270 636 HE1 PHE 79 HE1 PHE 79 -5.581 1.744 -2.513 637 HE2 PHE 79 HE2 PHE 79 -1.945 0.216 -4.116 638 HZ PHE 79 HZ PHE 79 -4.359 0.006 -3.745 639 H LEU 80 H LEU 80 -3.221 6.863 -2.016 640 HA LEU 80 HA LEU 80 -5.449 6.381 -3.658 641 HB2 LEU 80 HB3 LEU 80 -4.775 8.849 -2.020 642 HB3 LEU 80 HB2 LEU 80 -6.325 8.605 -2.813 643 HG LEU 80 HG LEU 80 -5.188 6.941 -0.532 644 HD11 LEU 80 HD11 LEU 80 -7.074 7.852 0.751 645 HD12 LEU 80 HD12 LEU 80 -7.567 8.823 -0.638 646 HD13 LEU 80 HD13 LEU 80 -6.022 9.136 0.159 647 HD21 LEU 80 HD21 LEU 80 -7.349 5.724 -0.554 648 HD22 LEU 80 HD22 LEU 80 -6.426 5.455 -2.029 649 HD23 LEU 80 HD23 LEU 80 -7.802 6.561 -2.043 650 H GLU 81 H GLU 81 -2.913 8.858 -3.910 651 HA GLU 81 HA GLU 81 -4.137 10.209 -6.139 652 HB2 GLU 81 HB3 GLU 81 -1.350 10.477 -4.961 653 HB3 GLU 81 HB2 GLU 81 -2.048 11.555 -6.171 654 HG2 GLU 81 HG3 GLU 81 -3.904 12.036 -4.493 655 HG3 GLU 81 HG2 GLU 81 -2.935 11.175 -3.296 656 H SER 82 H SER 82 -1.663 7.645 -5.891 657 HA SER 82 HA SER 82 -0.814 7.694 -8.613 658 HB2 SER 82 HB3 SER 82 0.066 5.435 -8.273 659 HB3 SER 82 HB2 SER 82 0.399 6.399 -6.837 660 HG SER 82 HG SER 82 -0.959 5.216 -5.702 661 H LEU 83 H LEU 83 -3.447 5.957 -6.974 662 HA LEU 83 HA LEU 83 -4.544 4.735 -9.288 663 HB2 LEU 83 HB3 LEU 83 -6.054 5.587 -6.789 664 HB3 LEU 83 HB2 LEU 83 -6.584 4.418 -7.990 665 HG LEU 83 HG LEU 83 -4.390 4.093 -5.923 666 HD11 LEU 83 HD11 LEU 83 -6.904 2.481 -6.462 667 HD12 LEU 83 HD12 LEU 83 -6.666 3.634 -5.146 668 HD13 LEU 83 HD13 LEU 83 -5.710 2.156 -5.200 669 HD21 LEU 83 HD21 LEU 83 -4.937 2.282 -8.291 670 HD22 LEU 83 HD22 LEU 83 -3.915 1.877 -6.910 671 HD23 LEU 83 HD23 LEU 83 -3.463 3.204 -7.973 672 H GLU 84 H GLU 84 -5.395 7.773 -7.602 673 HA GLU 84 HA GLU 84 -7.547 8.590 -9.176 674 HB2 GLU 84 HB3 GLU 84 -6.952 9.554 -6.971 675 HB3 GLU 84 HB2 GLU 84 -5.530 10.312 -7.678 676 HG2 GLU 84 HG3 GLU 84 -6.969 11.733 -9.080 677 HG3 GLU 84 HG2 GLU 84 -8.403 10.948 -8.417 678 H LEU 85 H LEU 85 -4.074 9.139 -9.675 679 HA LEU 85 HA LEU 85 -4.403 10.867 -11.980 680 HB2 LEU 85 HB3 LEU 85 -2.500 10.865 -10.209 681 HB3 LEU 85 HB2 LEU 85 -1.834 9.511 -11.094 682 HG LEU 85 HG LEU 85 -2.287 12.269 -12.323 683 HD11 LEU 85 HD11 LEU 85 0.123 12.674 -12.008 684 HD12 LEU 85 HD12 LEU 85 0.271 11.149 -11.127 685 HD13 LEU 85 HD13 LEU 85 -0.707 12.462 -10.466 686 HD21 LEU 85 HD21 LEU 85 -2.114 10.507 -14.024 687 HD22 LEU 85 HD22 LEU 85 -0.607 9.929 -13.313 688 HD23 LEU 85 HD23 LEU 85 -0.678 11.528 -14.060 689 H TYR 86 H TYR 86 -3.173 7.497 -11.486 690 HA TYR 86 HA TYR 86 -2.835 7.160 -14.382 691 HB2 TYR 86 HB2 TYR 86 -2.019 5.381 -12.050 692 HB3 TYR 86 HB1 TYR 86 -1.689 5.006 -13.738 693 HD1 TYR 86 HD1 TYR 86 -0.880 7.397 -10.977 694 HD2 TYR 86 HD2 TYR 86 0.188 6.046 -14.890 695 HE1 TYR 86 HE1 TYR 86 1.213 8.672 -10.844 696 HE2 TYR 86 HE2 TYR 86 2.281 7.323 -14.754 697 HH TYR 86 HH TYR 86 3.151 9.318 -13.524 698 H TYR 87 H TYR 87 -4.715 5.563 -11.762 699 HA TYR 87 HA TYR 87 -6.344 4.148 -13.821 700 HB2 TYR 87 HB2 TYR 87 -5.437 3.049 -11.126 701 HB3 TYR 87 HB1 TYR 87 -6.533 2.226 -12.232 702 HD1 TYR 87 HD1 TYR 87 -3.123 2.479 -11.269 703 HD2 TYR 87 HD2 TYR 87 -5.598 1.924 -14.716 704 HE1 TYR 87 HE1 TYR 87 -1.224 1.485 -12.484 705 HE2 TYR 87 HE2 TYR 87 -3.703 0.926 -15.915 706 HH TYR 87 HH TYR 87 -1.017 -0.215 -14.499 707 HA PRO 88 HA PRO 88 -9.038 6.955 -11.158 708 HB2 PRO 88 HB3 PRO 88 -10.563 7.280 -13.718 709 HB3 PRO 88 HB2 PRO 88 -9.950 8.513 -12.608 710 HG2 PRO 88 HG3 PRO 88 -8.764 8.108 -14.970 711 HG3 PRO 88 HG2 PRO 88 -7.789 8.445 -13.520 712 HD2 PRO 88 HD3 PRO 88 -8.361 5.780 -14.840 713 HD3 PRO 88 HD2 PRO 88 -6.814 6.434 -14.255 714 H GLN 89 H GLN 89 -10.242 4.538 -13.526 715 HA GLN 89 HA GLN 89 -12.807 4.107 -12.364 716 HB2 GLN 89 HB3 GLN 89 -12.363 3.379 -14.651 717 HB3 GLN 89 HB2 GLN 89 -11.093 2.290 -14.106 718 HG2 GLN 89 HG3 GLN 89 -12.810 0.939 -12.901 719 HG3 GLN 89 HG2 GLN 89 -14.062 2.004 -13.538 720 HE21 GLN 89 HE21 GLN 89 -15.082 0.282 -14.586 721 HE22 GLN 89 HE22 GLN 89 -14.427 -0.464 -15.997 722 H LEU 90 H LEU 90 -9.682 2.434 -11.918 723 HA LEU 90 HA LEU 90 -10.469 0.485 -10.036 724 HB2 LEU 90 HB3 LEU 90 -8.287 0.432 -11.179 725 HB3 LEU 90 HB2 LEU 90 -7.805 1.913 -10.371 726 HG LEU 90 HG LEU 90 -7.926 0.665 -8.158 727 HD11 LEU 90 HD11 LEU 90 -8.223 -1.792 -9.913 728 HD12 LEU 90 HD12 LEU 90 -9.427 -1.155 -8.787 729 HD13 LEU 90 HD13 LEU 90 -7.902 -1.788 -8.175 730 HD21 LEU 90 HD21 LEU 90 -5.783 1.073 -9.251 731 HD22 LEU 90 HD22 LEU 90 -5.953 -0.407 -10.195 732 HD23 LEU 90 HD23 LEU 90 -5.781 -0.493 -8.442 733 H TYR 91 H TYR 91 -9.118 3.743 -9.569 734 HA TYR 91 HA TYR 91 -8.894 3.972 -6.843 735 HB2 TYR 91 HB2 TYR 91 -8.074 5.676 -8.352 736 HB3 TYR 91 HB1 TYR 91 -9.698 6.065 -8.901 737 HD1 TYR 91 HD1 TYR 91 -7.746 5.950 -5.664 738 HD2 TYR 91 HD2 TYR 91 -10.669 8.021 -8.001 739 HE1 TYR 91 HE1 TYR 91 -7.890 7.702 -3.945 740 HE2 TYR 91 HE2 TYR 91 -10.802 9.770 -6.281 741 HH TYR 91 HH TYR 91 -8.539 10.104 -3.811 742 H LYS 92 H LYS 92 -11.753 5.106 -8.690 743 HA LYS 92 HA LYS 92 -13.328 5.799 -6.458 744 HB2 LYS 92 HB3 LYS 92 -15.234 5.897 -8.035 745 HB3 LYS 92 HB2 LYS 92 -13.804 6.715 -8.658 746 HG2 LYS 92 HG3 LYS 92 -13.323 4.868 -10.164 747 HG3 LYS 92 HG2 LYS 92 -14.618 3.900 -9.458 748 HD2 LYS 92 HD3 LYS 92 -15.254 4.890 -11.649 749 HD3 LYS 92 HD2 LYS 92 -16.308 5.414 -10.335 750 HE2 LYS 92 HE3 LYS 92 -15.120 7.564 -10.221 751 HE3 LYS 92 HE2 LYS 92 -14.014 7.035 -11.490 752 HZ1 LYS 92 HZ1 LYS 92 -15.861 6.920 -13.016 753 HZ2 LYS 92 HZ2 LYS 92 -15.773 8.462 -12.333 754 HZ3 LYS 92 HZ3 LYS 92 -16.946 7.365 -11.800 755 H LYS 93 H LYS 93 -12.922 2.674 -8.056 756 HA LYS 93 HA LYS 93 -15.263 1.450 -6.913 757 HB2 LYS 93 HB3 LYS 93 -14.076 0.642 -9.015 758 HB3 LYS 93 HB2 LYS 93 -12.793 0.021 -7.978 759 HG2 LYS 93 HG3 LYS 93 -14.556 -1.373 -6.795 760 HG3 LYS 93 HG2 LYS 93 -15.698 -0.856 -8.039 761 HD2 LYS 93 HD3 LYS 93 -14.148 -1.879 -9.765 762 HD3 LYS 93 HD2 LYS 93 -13.176 -2.512 -8.429 763 HE2 LYS 93 HE3 LYS 93 -16.064 -3.200 -9.081 764 HE3 LYS 93 HE2 LYS 93 -14.663 -4.265 -9.190 765 HZ1 LYS 93 HZ1 LYS 93 -15.920 -4.739 -7.216 766 HZ2 LYS 93 HZ2 LYS 93 -15.815 -3.136 -6.698 767 HZ3 LYS 93 HZ3 LYS 93 -14.428 -4.091 -6.770 768 H VAL 94 H VAL 94 -11.791 1.411 -6.095 769 HA VAL 94 HA VAL 94 -11.922 -0.494 -3.985 770 HB VAL 94 HB VAL 94 -9.799 1.615 -4.587 771 HG11 VAL 94 HG11 VAL 94 -8.232 0.198 -3.265 772 HG12 VAL 94 HG12 VAL 94 -9.585 -0.827 -2.781 773 HG13 VAL 94 HG13 VAL 94 -9.531 0.859 -2.266 774 HG21 VAL 94 HG21 VAL 94 -10.216 0.024 -6.440 775 HG22 VAL 94 HG22 VAL 94 -9.904 -1.330 -5.349 776 HG23 VAL 94 HG23 VAL 94 -8.612 -0.193 -5.743 777 H THR 95 H THR 95 -11.613 3.095 -3.822 778 HA THR 95 HA THR 95 -12.077 3.051 -0.927 779 HB THR 95 HB THR 95 -10.332 4.553 -1.793 780 HG1 THR 95 HG1 THR 95 -10.948 6.321 -0.536 781 HG21 THR 95 HG21 THR 95 -10.917 6.635 -2.996 782 HG22 THR 95 HG22 THR 95 -12.592 6.095 -3.119 783 HG23 THR 95 HG23 THR 95 -11.317 5.210 -3.956 784 H GLY 96 H GLY 96 -14.092 3.206 -3.653 785 HA2 GLY 96 HA3 GLY 96 -16.397 3.238 -3.748 786 HA3 GLY 96 HA2 GLY 96 -16.441 3.480 -2.012 787 H LYS 97 H LYS 97 -16.187 5.096 -5.137 788 HA LYS 97 HA LYS 97 -17.177 7.637 -3.991 789 HB2 LYS 97 HB3 LYS 97 -14.961 7.392 -6.085 790 HB3 LYS 97 HB2 LYS 97 -15.679 8.901 -5.532 791 HG2 LYS 97 HG3 LYS 97 -14.047 6.983 -3.837 792 HG3 LYS 97 HG2 LYS 97 -13.471 8.510 -4.515 793 HD2 LYS 97 HD3 LYS 97 -15.017 9.775 -3.114 794 HD3 LYS 97 HD2 LYS 97 -15.782 8.292 -2.537 795 HE2 LYS 97 HE3 LYS 97 -13.641 7.643 -1.442 796 HE3 LYS 97 HE2 LYS 97 -12.921 9.157 -1.995 797 HZ1 LYS 97 HZ1 LYS 97 -15.218 8.895 -0.140 798 HZ2 LYS 97 HZ2 LYS 97 -14.582 10.357 -0.697 799 HZ3 LYS 97 HZ3 LYS 97 -13.643 9.342 0.272 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 8.709 -1.580 21.635 2 H2 MET 1 HT2 MET 1 8.364 0.067 21.477 3 H3 MET 1 HT3 MET 1 8.760 -0.846 20.113 4 HA MET 1 HA MET 1 6.358 -1.222 21.806 5 HB2 MET 1 HB2 MET 1 6.296 0.883 20.496 6 HB3 MET 1 HB1 MET 1 6.626 -0.009 19.018 7 HG2 MET 1 HG2 MET 1 4.280 0.560 19.116 8 HG3 MET 1 HG1 MET 1 4.451 -1.189 19.286 9 HE1 MET 1 HE1 MET 1 1.319 -0.188 21.552 10 HE2 MET 1 HE2 MET 1 1.835 -1.138 20.160 11 HE3 MET 1 HE3 MET 1 1.815 0.625 20.069 12 H SER 2 H SER 2 7.173 -1.800 18.375 13 HA SER 2 HA SER 2 7.469 -4.548 18.237 14 HB2 SER 2 HB3 SER 2 5.169 -4.728 19.196 15 HB3 SER 2 HB2 SER 2 4.536 -3.748 17.878 16 HG SER 2 HG SER 2 4.186 -5.922 17.438 17 H ASP 3 H ASP 3 6.615 -5.317 15.851 18 HA ASP 3 HA ASP 3 7.454 -3.199 13.982 19 HB2 ASP 3 HB3 ASP 3 7.739 -5.048 12.332 20 HB3 ASP 3 HB2 ASP 3 8.721 -5.253 13.774 21 H TYR 4 H TYR 4 5.869 -2.001 13.176 22 HA TYR 4 HA TYR 4 4.102 -1.293 11.992 23 HB2 TYR 4 HB2 TYR 4 4.020 -4.138 10.907 24 HB3 TYR 4 HB1 TYR 4 3.230 -2.743 10.180 25 HD1 TYR 4 HD1 TYR 4 4.623 -0.902 9.166 26 HD2 TYR 4 HD2 TYR 4 6.400 -4.527 10.569 27 HE1 TYR 4 HE1 TYR 4 6.655 -0.409 7.882 28 HE2 TYR 4 HE2 TYR 4 8.429 -4.032 9.277 29 HH TYR 4 HH TYR 4 9.042 -2.686 7.253 30 H GLU 5 H GLU 5 3.138 -1.303 14.315 31 HA GLU 5 HA GLU 5 0.452 -2.575 14.194 32 HB2 GLU 5 HB3 GLU 5 1.855 -1.338 16.600 33 HB3 GLU 5 HB2 GLU 5 0.270 -2.107 16.610 34 HG2 GLU 5 HG3 GLU 5 1.410 -4.243 15.876 35 HG3 GLU 5 HG2 GLU 5 2.955 -3.435 16.144 36 H ASN 6 H ASN 6 1.841 0.169 13.209 37 HA ASN 6 HA ASN 6 -0.365 1.985 14.007 38 HB2 ASN 6 HB3 ASN 6 1.928 2.760 14.576 39 HB3 ASN 6 HB2 ASN 6 2.411 2.621 12.890 40 HD21 ASN 6 HD21 ASN 6 1.740 4.181 11.430 41 HD22 ASN 6 HD22 ASN 6 1.029 5.677 11.920 42 H ASP 7 H ASP 7 -1.430 3.174 12.419 43 HA ASP 7 HA ASP 7 -2.632 3.505 10.577 44 HB2 ASP 7 HB3 ASP 7 0.150 3.255 9.498 45 HB3 ASP 7 HB2 ASP 7 -1.156 3.308 8.311 46 H ASP 8 H ASP 8 -2.845 0.884 11.613 47 HA ASP 8 HA ASP 8 -3.235 -1.005 9.520 48 HB2 ASP 8 HB3 ASP 8 -4.697 -2.206 11.127 49 HB3 ASP 8 HB2 ASP 8 -3.169 -1.725 11.855 50 H GLU 9 H GLU 9 -5.257 1.612 10.784 51 HA GLU 9 HA GLU 9 -7.708 0.966 9.574 52 HB2 GLU 9 HB3 GLU 9 -8.154 3.536 9.761 53 HB3 GLU 9 HB2 GLU 9 -7.898 2.613 11.227 54 HG2 GLU 9 HG3 GLU 9 -6.735 4.725 11.422 55 HG3 GLU 9 HG2 GLU 9 -5.558 3.423 11.348 56 H CYS 10 H CYS 10 -4.870 2.196 8.045 57 HA CYS 10 HA CYS 10 -6.083 3.206 5.662 58 HB2 CYS 10 HB3 CYS 10 -3.245 2.331 6.325 59 HB3 CYS 10 HB2 CYS 10 -3.707 3.033 4.779 60 H TRP 11 H TRP 11 -4.267 0.219 6.419 61 HA TRP 11 HA TRP 11 -4.688 -0.873 3.763 62 HB2 TRP 11 HB2 TRP 11 -3.326 -2.255 6.111 63 HB3 TRP 11 HB1 TRP 11 -3.077 -2.558 4.392 64 HD1 TRP 11 HD1 TRP 11 -1.443 -0.828 7.179 65 HE1 TRP 11 HE1 TRP 11 0.186 0.985 6.367 66 HE3 TRP 11 HE3 TRP 11 -2.875 -0.552 2.262 67 HZ2 TRP 11 HZ2 TRP 11 0.781 2.355 3.988 68 HZ3 TRP 11 HZ3 TRP 11 -1.722 1.048 0.787 69 HH2 TRP 11 HH2 TRP 11 0.068 2.470 1.637 70 H SER 12 H SER 12 -6.268 -1.165 6.812 71 HA SER 12 HA SER 12 -7.459 -3.762 6.444 72 HB2 SER 12 HB3 SER 12 -7.162 -2.799 8.702 73 HB3 SER 12 HB2 SER 12 -8.306 -1.519 8.313 74 HG SER 12 HG SER 12 -9.144 -4.174 7.979 75 H VAL 13 H VAL 13 -8.272 -0.552 5.379 76 HA VAL 13 HA VAL 13 -10.979 -1.299 4.520 77 HB VAL 13 HB VAL 13 -9.449 1.280 3.922 78 HG11 VAL 13 HG11 VAL 13 -11.332 0.905 2.370 79 HG12 VAL 13 HG12 VAL 13 -11.699 2.242 3.459 80 HG13 VAL 13 HG13 VAL 13 -12.431 0.658 3.730 81 HG21 VAL 13 HG21 VAL 13 -11.423 0.719 6.173 82 HG22 VAL 13 HG22 VAL 13 -10.729 2.294 5.786 83 HG23 VAL 13 HG23 VAL 13 -9.688 0.991 6.356 84 H LEU 14 H LEU 14 -7.747 -0.822 3.155 85 HA LEU 14 HA LEU 14 -8.536 -1.076 0.398 86 HB2 LEU 14 HB3 LEU 14 -5.773 -1.303 1.639 87 HB3 LEU 14 HB2 LEU 14 -6.110 -1.144 -0.080 88 HG LEU 14 HG LEU 14 -6.587 0.960 2.066 89 HD11 LEU 14 HD11 LEU 14 -4.908 2.266 0.865 90 HD12 LEU 14 HD12 LEU 14 -4.677 0.946 -0.282 91 HD13 LEU 14 HD13 LEU 14 -4.249 0.729 1.415 92 HD21 LEU 14 HD21 LEU 14 -7.255 1.143 -0.893 93 HD22 LEU 14 HD22 LEU 14 -7.324 2.471 0.268 94 HD23 LEU 14 HD23 LEU 14 -8.411 1.098 0.443 95 H GLU 15 H GLU 15 -7.754 -3.407 2.896 96 HA GLU 15 HA GLU 15 -6.742 -5.530 1.347 97 HB2 GLU 15 HB3 GLU 15 -7.223 -7.013 3.207 98 HB3 GLU 15 HB2 GLU 15 -6.586 -5.488 3.811 99 HG2 GLU 15 HG3 GLU 15 -8.793 -4.778 4.519 100 HG3 GLU 15 HG2 GLU 15 -9.533 -6.195 3.776 101 H GLY 16 H GLY 16 -10.085 -4.607 2.038 102 HA2 GLY 16 HA3 GLY 16 -11.474 -6.794 0.958 103 HA3 GLY 16 HA2 GLY 16 -12.075 -5.146 1.033 104 H PHE 17 H PHE 17 -9.733 -4.242 -0.685 105 HA PHE 17 HA PHE 17 -10.663 -5.236 -3.327 106 HB2 PHE 17 HB2 PHE 17 -9.448 -2.554 -2.526 107 HB3 PHE 17 HB1 PHE 17 -9.684 -3.045 -4.201 108 HD1 PHE 17 HD1 PHE 17 -11.978 -3.303 -5.127 109 HD2 PHE 17 HD2 PHE 17 -11.336 -1.813 -1.170 110 HE1 PHE 17 HE1 PHE 17 -14.285 -2.458 -5.067 111 HE2 PHE 17 HE2 PHE 17 -13.647 -0.969 -1.122 112 HZ PHE 17 HZ PHE 17 -15.127 -1.294 -3.066 113 H ARG 18 H ARG 18 -8.149 -5.806 -1.219 114 HA ARG 18 HA ARG 18 -5.778 -5.188 -2.622 115 HB2 ARG 18 HB3 ARG 18 -5.791 -5.782 -0.236 116 HB3 ARG 18 HB2 ARG 18 -6.286 -7.423 -0.622 117 HG2 ARG 18 HG3 ARG 18 -4.125 -7.814 -1.756 118 HG3 ARG 18 HG2 ARG 18 -3.634 -6.158 -1.385 119 HD2 ARG 18 HD3 ARG 18 -4.296 -8.275 0.700 120 HD3 ARG 18 HD2 ARG 18 -2.665 -7.865 0.167 121 HE ARG 18 HE ARG 18 -3.245 -5.527 1.002 122 HH11 ARG 18 HH11 ARG 18 -4.558 -8.367 2.488 123 HH12 ARG 18 HH12 ARG 18 -4.674 -7.620 4.041 124 HH21 ARG 18 HH21 ARG 18 -3.405 -4.605 3.009 125 HH22 ARG 18 HH22 ARG 18 -4.027 -5.526 4.332 126 H VAL 19 H VAL 19 -7.773 -8.100 -2.725 127 HA VAL 19 HA VAL 19 -6.371 -9.779 -4.429 128 HB VAL 19 HB VAL 19 -8.658 -10.649 -5.152 129 HG11 VAL 19 HG11 VAL 19 -7.554 -11.561 -3.153 130 HG12 VAL 19 HG12 VAL 19 -9.298 -11.480 -2.900 131 HG13 VAL 19 HG13 VAL 19 -8.242 -10.274 -2.159 132 HG21 VAL 19 HG21 VAL 19 -9.922 -8.525 -5.090 133 HG22 VAL 19 HG22 VAL 19 -9.697 -8.422 -3.343 134 HG23 VAL 19 HG23 VAL 19 -10.677 -9.720 -4.032 135 H THR 20 H THR 20 -8.304 -6.946 -5.318 136 HA THR 20 HA THR 20 -7.965 -7.292 -8.192 137 HB THR 20 HB THR 20 -9.146 -4.950 -6.629 138 HG1 THR 20 HG1 THR 20 -11.112 -6.123 -7.703 139 HG21 THR 20 HG21 THR 20 -8.504 -4.280 -8.923 140 HG22 THR 20 HG22 THR 20 -10.258 -4.329 -8.750 141 HG23 THR 20 HG23 THR 20 -9.419 -5.637 -9.587 142 H LEU 21 H LEU 21 -6.849 -5.029 -5.682 143 HA LEU 21 HA LEU 21 -5.498 -3.133 -7.201 144 HB2 LEU 21 HB3 LEU 21 -4.909 -4.093 -4.371 145 HB3 LEU 21 HB2 LEU 21 -4.262 -2.613 -5.068 146 HG LEU 21 HG LEU 21 -7.226 -3.159 -4.635 147 HD11 LEU 21 HD11 LEU 21 -7.121 -1.534 -2.794 148 HD12 LEU 21 HD12 LEU 21 -5.371 -1.420 -2.982 149 HD13 LEU 21 HD13 LEU 21 -6.107 -2.940 -2.472 150 HD21 LEU 21 HD21 LEU 21 -5.800 -0.626 -5.499 151 HD22 LEU 21 HD22 LEU 21 -7.524 -0.779 -5.157 152 HD23 LEU 21 HD23 LEU 21 -6.821 -1.651 -6.514 153 H THR 22 H THR 22 -4.200 -6.054 -5.634 154 HA THR 22 HA THR 22 -1.531 -5.691 -6.471 155 HB THR 22 HB THR 22 -1.124 -8.030 -5.792 156 HG1 THR 22 HG1 THR 22 -3.974 -8.106 -5.528 157 HG21 THR 22 HG21 THR 22 -1.784 -7.820 -3.418 158 HG22 THR 22 HG22 THR 22 -2.878 -6.498 -3.830 159 HG23 THR 22 HG23 THR 22 -1.135 -6.300 -4.040 160 H SER 23 H SER 23 -4.226 -7.427 -7.970 161 HA SER 23 HA SER 23 -2.587 -8.636 -10.030 162 HB2 SER 23 HB3 SER 23 -4.770 -9.454 -10.931 163 HB3 SER 23 HB2 SER 23 -4.560 -9.818 -9.219 164 HG SER 23 HG SER 23 -6.375 -8.822 -8.943 165 H VAL 24 H VAL 24 -4.327 -5.599 -9.753 166 HA VAL 24 HA VAL 24 -4.240 -5.131 -12.671 167 HB VAL 24 HB VAL 24 -5.547 -3.444 -10.490 168 HG11 VAL 24 HG11 VAL 24 -6.620 -2.176 -12.340 169 HG12 VAL 24 HG12 VAL 24 -5.670 -3.091 -13.515 170 HG13 VAL 24 HG13 VAL 24 -4.864 -2.011 -12.376 171 HG21 VAL 24 HG21 VAL 24 -6.694 -5.605 -10.853 172 HG22 VAL 24 HG22 VAL 24 -6.808 -5.269 -12.581 173 HG23 VAL 24 HG23 VAL 24 -7.690 -4.265 -11.428 174 H ILE 25 H ILE 25 -3.204 -3.315 -9.710 175 HA ILE 25 HA ILE 25 -2.083 -1.120 -11.136 176 HB ILE 25 HB ILE 25 -1.435 -2.014 -8.288 177 HG12 ILE 25 HG12 ILE 25 -3.555 -0.018 -9.199 178 HG13 ILE 25 HG11 ILE 25 -3.894 -1.675 -8.706 179 HG21 ILE 25 HG21 ILE 25 -0.838 0.361 -7.857 180 HG22 ILE 25 HG22 ILE 25 -1.108 0.741 -9.559 181 HG23 ILE 25 HG23 ILE 25 0.200 -0.349 -9.094 182 HD11 ILE 25 HD11 ILE 25 -4.385 -0.098 -6.943 183 HD12 ILE 25 HD12 ILE 25 -2.722 0.485 -6.957 184 HD13 ILE 25 HD13 ILE 25 -3.075 -1.174 -6.460 185 H ASP 26 H ASP 26 0.008 -0.691 -11.870 186 HA ASP 26 HA ASP 26 2.142 -2.658 -11.254 187 HB2 ASP 26 HB3 ASP 26 1.616 -2.363 -13.674 188 HB3 ASP 26 HB2 ASP 26 2.037 -0.655 -13.541 189 HA PRO 27 HA PRO 27 3.683 0.855 -8.728 190 HB2 PRO 27 HB3 PRO 27 5.575 -0.641 -7.367 191 HB3 PRO 27 HB2 PRO 27 3.886 -0.494 -6.873 192 HG2 PRO 27 HG3 PRO 27 5.238 -2.710 -8.372 193 HG3 PRO 27 HG2 PRO 27 3.995 -2.804 -7.108 194 HD2 PRO 27 HD3 PRO 27 3.438 -3.107 -9.766 195 HD3 PRO 27 HD2 PRO 27 2.266 -2.442 -8.609 196 H SER 28 H SER 28 5.398 -1.386 -10.852 197 HA SER 28 HA SER 28 7.908 -0.067 -10.993 198 HB2 SER 28 HB3 SER 28 6.533 -1.801 -13.082 199 HB3 SER 28 HB2 SER 28 8.232 -1.315 -13.121 200 HG SER 28 HG SER 28 8.566 -2.466 -11.221 201 H ARG 29 H ARG 29 4.871 0.465 -12.653 202 HA ARG 29 HA ARG 29 5.747 2.380 -14.586 203 HB2 ARG 29 HB3 ARG 29 3.650 1.116 -14.828 204 HB3 ARG 29 HB2 ARG 29 3.011 1.839 -13.356 205 HG2 ARG 29 HG3 ARG 29 3.012 4.067 -14.483 206 HG3 ARG 29 HG2 ARG 29 3.588 3.290 -15.962 207 HD2 ARG 29 HD3 ARG 29 1.547 1.889 -16.003 208 HD3 ARG 29 HD2 ARG 29 0.973 2.696 -14.542 209 HE ARG 29 HE ARG 29 1.382 4.723 -16.340 210 HH11 ARG 29 HH11 ARG 29 -0.475 1.805 -16.379 211 HH12 ARG 29 HH12 ARG 29 -1.720 2.488 -17.362 212 HH21 ARG 29 HH21 ARG 29 -0.226 5.568 -17.612 213 HH22 ARG 29 HH22 ARG 29 -1.577 4.586 -18.053 214 H ILE 30 H ILE 30 4.317 2.660 -11.332 215 HA ILE 30 HA ILE 30 4.311 5.590 -11.444 216 HB ILE 30 HB ILE 30 3.011 5.536 -9.370 217 HG12 ILE 30 HG12 ILE 30 3.331 2.496 -9.401 218 HG13 ILE 30 HG11 ILE 30 4.172 3.573 -8.297 219 HG21 ILE 30 HG21 ILE 30 0.989 4.363 -10.163 220 HG22 ILE 30 HG22 ILE 30 1.948 3.471 -11.346 221 HG23 ILE 30 HG23 ILE 30 1.780 5.221 -11.487 222 HD11 ILE 30 HD11 ILE 30 1.207 3.073 -8.419 223 HD12 ILE 30 HD12 ILE 30 1.985 4.265 -7.368 224 HD13 ILE 30 HD13 ILE 30 2.338 2.543 -7.173 225 H THR 31 H THR 31 6.793 3.616 -10.881 226 HA THR 31 HA THR 31 7.861 4.129 -8.375 227 HB THR 31 HB THR 31 10.198 3.896 -9.483 228 HG1 THR 31 HG1 THR 31 10.310 3.841 -11.569 229 HG21 THR 31 HG21 THR 31 9.050 1.979 -8.435 230 HG22 THR 31 HG22 THR 31 9.960 1.486 -9.863 231 HG23 THR 31 HG23 THR 31 8.206 1.657 -9.952 232 HA PRO 32 HA PRO 32 10.010 8.314 -9.924 233 HB2 PRO 32 HB3 PRO 32 8.696 9.715 -11.914 234 HB3 PRO 32 HB2 PRO 32 10.027 8.596 -12.228 235 HG2 PRO 32 HG3 PRO 32 7.056 8.090 -12.406 236 HG3 PRO 32 HG2 PRO 32 8.333 7.672 -13.573 237 HD2 PRO 32 HD3 PRO 32 7.367 5.825 -11.881 238 HD3 PRO 32 HD2 PRO 32 9.096 5.862 -12.286 239 H TYR 33 H TYR 33 6.473 7.946 -10.094 240 HA TYR 33 HA TYR 33 5.830 10.440 -8.859 241 HB2 TYR 33 HB2 TYR 33 4.193 9.181 -10.266 242 HB3 TYR 33 HB1 TYR 33 4.108 7.926 -9.026 243 HD1 TYR 33 HD1 TYR 33 2.223 8.086 -7.568 244 HD2 TYR 33 HD2 TYR 33 3.918 11.668 -9.197 245 HE1 TYR 33 HE1 TYR 33 0.585 9.462 -6.327 246 HE2 TYR 33 HE2 TYR 33 2.282 13.009 -7.980 247 HH TYR 33 HH TYR 33 0.025 12.713 -7.026 248 H LEU 34 H LEU 34 6.297 7.144 -7.631 249 HA LEU 34 HA LEU 34 5.627 7.649 -4.904 250 HB2 LEU 34 HB3 LEU 34 7.403 5.507 -6.113 251 HB3 LEU 34 HB2 LEU 34 6.809 5.502 -4.460 252 HG LEU 34 HG LEU 34 5.061 5.301 -6.945 253 HD11 LEU 34 HD11 LEU 34 6.408 3.290 -6.655 254 HD12 LEU 34 HD12 LEU 34 4.715 2.958 -6.300 255 HD13 LEU 34 HD13 LEU 34 5.871 3.142 -4.978 256 HD21 LEU 34 HD21 LEU 34 3.862 6.390 -5.094 257 HD22 LEU 34 HD22 LEU 34 4.280 5.059 -4.013 258 HD23 LEU 34 HD23 LEU 34 3.214 4.779 -5.392 259 H ARG 35 H ARG 35 8.671 7.856 -6.737 260 HA ARG 35 HA ARG 35 10.439 8.610 -4.666 261 HB2 ARG 35 HB3 ARG 35 10.367 9.474 -7.588 262 HB3 ARG 35 HB2 ARG 35 11.696 9.853 -6.498 263 HG2 ARG 35 HG3 ARG 35 10.826 7.057 -7.283 264 HG3 ARG 35 HG2 ARG 35 12.178 7.946 -7.983 265 HD2 ARG 35 HD3 ARG 35 12.970 8.106 -5.441 266 HD3 ARG 35 HD2 ARG 35 11.932 6.685 -5.262 267 HE ARG 35 HE ARG 35 13.291 5.697 -7.125 268 HH11 ARG 35 HH11 ARG 35 14.691 7.916 -4.878 269 HH12 ARG 35 HH12 ARG 35 16.305 7.538 -5.357 270 HH21 ARG 35 HH21 ARG 35 15.380 5.252 -7.738 271 HH22 ARG 35 HH22 ARG 35 16.690 6.056 -6.946 272 H GLN 36 H GLN 36 8.537 10.722 -6.868 273 HA GLN 36 HA GLN 36 9.071 13.204 -5.711 274 HB2 GLN 36 HB3 GLN 36 7.969 13.000 -7.888 275 HB3 GLN 36 HB2 GLN 36 6.559 12.250 -7.148 276 HG2 GLN 36 HG3 GLN 36 6.005 14.337 -5.993 277 HG3 GLN 36 HG2 GLN 36 7.467 15.097 -6.616 278 HE21 GLN 36 HE21 GLN 36 4.269 13.935 -7.449 279 HE22 GLN 36 HE22 GLN 36 4.148 14.780 -8.946 280 H CYS 37 H CYS 37 6.603 10.830 -4.845 281 HA CYS 37 HA CYS 37 5.316 12.471 -2.843 282 HB2 CYS 37 HB3 CYS 37 4.103 10.766 -4.242 283 HB3 CYS 37 HB2 CYS 37 4.932 9.498 -3.344 284 HG CYS 37 HG CYS 37 2.688 11.754 -2.107 285 H LYS 38 H LYS 38 8.186 10.715 -2.807 286 HA LYS 38 HA LYS 38 9.707 10.186 -1.225 287 HB2 LYS 38 HB3 LYS 38 8.002 11.960 0.570 288 HB3 LYS 38 HB2 LYS 38 9.655 11.459 0.919 289 HG2 LYS 38 HG3 LYS 38 8.779 13.188 -1.421 290 HG3 LYS 38 HG2 LYS 38 9.556 13.760 0.062 291 HD2 LYS 38 HD3 LYS 38 11.591 12.499 -0.480 292 HD3 LYS 38 HD2 LYS 38 10.816 11.815 -1.912 293 HE2 LYS 38 HE3 LYS 38 11.405 14.758 -1.471 294 HE3 LYS 38 HE2 LYS 38 12.332 13.661 -2.495 295 HZ1 LYS 38 HZ1 LYS 38 10.793 14.964 -3.794 296 HZ2 LYS 38 HZ2 LYS 38 9.483 14.404 -2.884 297 HZ3 LYS 38 HZ3 LYS 38 10.360 13.329 -3.856 298 H VAL 39 H VAL 39 7.959 8.165 -1.609 299 HA VAL 39 HA VAL 39 7.668 6.925 1.079 300 HB VAL 39 HB VAL 39 5.735 5.600 0.185 301 HG11 VAL 39 HG11 VAL 39 5.342 8.621 0.086 302 HG12 VAL 39 HG12 VAL 39 5.307 7.613 1.535 303 HG13 VAL 39 HG13 VAL 39 4.061 7.424 0.302 304 HG21 VAL 39 HG21 VAL 39 6.244 5.734 -2.233 305 HG22 VAL 39 HG22 VAL 39 5.902 7.465 -2.224 306 HG23 VAL 39 HG23 VAL 39 4.608 6.307 -1.906 307 H LEU 40 H LEU 40 9.021 6.664 -2.064 308 HA LEU 40 HA LEU 40 9.730 3.800 -1.687 309 HB2 LEU 40 HB3 LEU 40 8.222 4.454 -3.664 310 HB3 LEU 40 HB2 LEU 40 9.604 5.307 -4.324 311 HG LEU 40 HG LEU 40 10.847 3.044 -4.258 312 HD11 LEU 40 HD11 LEU 40 8.027 1.967 -3.904 313 HD12 LEU 40 HD12 LEU 40 9.338 1.853 -2.727 314 HD13 LEU 40 HD13 LEU 40 9.469 1.013 -4.269 315 HD21 LEU 40 HD21 LEU 40 10.070 4.045 -6.352 316 HD22 LEU 40 HD22 LEU 40 8.468 3.338 -6.121 317 HD23 LEU 40 HD23 LEU 40 9.868 2.295 -6.384 318 H ASN 41 H ASN 41 11.868 3.339 -1.516 319 HA ASN 41 HA ASN 41 13.899 5.440 -1.884 320 HB2 ASN 41 HB3 ASN 41 14.118 2.626 -0.723 321 HB3 ASN 41 HB2 ASN 41 15.397 3.838 -0.705 322 HD21 ASN 41 HD21 ASN 41 13.994 2.469 1.493 323 HD22 ASN 41 HD22 ASN 41 13.397 3.733 2.504 324 HA PRO 42 HA PRO 42 15.762 3.913 -5.721 325 HB2 PRO 42 HB3 PRO 42 18.450 3.480 -4.987 326 HB3 PRO 42 HB2 PRO 42 17.764 5.030 -5.487 327 HG2 PRO 42 HG3 PRO 42 18.195 3.950 -2.702 328 HG3 PRO 42 HG2 PRO 42 18.527 5.579 -3.338 329 HD2 PRO 42 HD3 PRO 42 16.348 5.156 -1.875 330 HD3 PRO 42 HD2 PRO 42 16.237 6.177 -3.328 331 H ASP 43 H ASP 43 16.733 2.044 -2.845 332 HA ASP 43 HA ASP 43 17.394 -0.389 -4.152 333 HB2 ASP 43 HB3 ASP 43 16.520 0.115 -1.272 334 HB3 ASP 43 HB2 ASP 43 17.295 -1.362 -1.854 335 H ASP 44 H ASP 44 14.410 0.730 -2.573 336 HA ASP 44 HA ASP 44 12.849 -1.616 -2.975 337 HB2 ASP 44 HB3 ASP 44 11.904 1.262 -2.629 338 HB3 ASP 44 HB2 ASP 44 10.909 -0.177 -2.418 339 H GLU 45 H GLU 45 13.249 1.361 -4.859 340 HA GLU 45 HA GLU 45 11.366 0.952 -6.890 341 HB2 GLU 45 HB3 GLU 45 12.455 3.113 -6.580 342 HB3 GLU 45 HB2 GLU 45 14.033 2.424 -6.944 343 HG2 GLU 45 HG3 GLU 45 13.371 2.048 -9.268 344 HG3 GLU 45 HG2 GLU 45 11.741 2.616 -8.923 345 H GLU 46 H GLU 46 14.831 0.150 -6.845 346 HA GLU 46 HA GLU 46 15.029 -1.111 -9.342 347 HB2 GLU 46 HB3 GLU 46 16.937 -0.291 -7.932 348 HB3 GLU 46 HB2 GLU 46 16.665 -1.636 -6.829 349 HG2 GLU 46 HG3 GLU 46 17.207 -3.230 -8.643 350 HG3 GLU 46 HG2 GLU 46 17.490 -1.884 -9.744 351 H GLN 47 H GLN 47 14.390 -2.454 -6.104 352 HA GLN 47 HA GLN 47 14.210 -5.189 -6.673 353 HB2 GLN 47 HB3 GLN 47 14.282 -4.286 -4.382 354 HB3 GLN 47 HB2 GLN 47 12.699 -3.549 -4.596 355 HG2 GLN 47 HG3 GLN 47 11.664 -5.787 -4.751 356 HG3 GLN 47 HG2 GLN 47 13.253 -6.536 -4.573 357 HE21 GLN 47 HE21 GLN 47 10.796 -4.635 -2.939 358 HE22 GLN 47 HE22 GLN 47 11.316 -4.987 -1.331 359 H VAL 48 H VAL 48 11.636 -2.727 -6.761 360 HA VAL 48 HA VAL 48 9.518 -4.447 -7.607 361 HB VAL 48 HB VAL 48 9.826 -1.414 -7.773 362 HG11 VAL 48 HG11 VAL 48 8.209 -2.118 -9.477 363 HG12 VAL 48 HG12 VAL 48 7.382 -1.303 -8.152 364 HG13 VAL 48 HG13 VAL 48 7.322 -3.064 -8.278 365 HG21 VAL 48 HG21 VAL 48 8.283 -1.382 -5.834 366 HG22 VAL 48 HG22 VAL 48 9.744 -2.297 -5.465 367 HG23 VAL 48 HG23 VAL 48 8.241 -3.149 -5.825 368 H LEU 49 H LEU 49 11.874 -2.473 -9.386 369 HA LEU 49 HA LEU 49 10.767 -2.954 -12.012 370 HB2 LEU 49 HB3 LEU 49 13.418 -1.795 -11.094 371 HB3 LEU 49 HB2 LEU 49 12.975 -1.934 -12.789 372 HG LEU 49 HG LEU 49 11.433 -0.274 -10.746 373 HD11 LEU 49 HD11 LEU 49 13.652 0.692 -11.117 374 HD12 LEU 49 HD12 LEU 49 12.396 1.701 -11.829 375 HD13 LEU 49 HD13 LEU 49 13.388 0.669 -12.863 376 HD21 LEU 49 HD21 LEU 49 10.279 0.679 -12.693 377 HD22 LEU 49 HD22 LEU 49 10.027 -1.061 -12.604 378 HD23 LEU 49 HD23 LEU 49 11.174 -0.399 -13.772 379 H SER 50 H SER 50 12.499 -4.988 -9.941 380 HA SER 50 HA SER 50 14.435 -6.205 -11.603 381 HB2 SER 50 HB3 SER 50 12.939 -7.430 -9.250 382 HB3 SER 50 HB2 SER 50 14.372 -8.129 -10.004 383 HG SER 50 HG SER 50 14.522 -5.495 -9.127 384 H ASP 51 H ASP 51 10.976 -6.756 -11.397 385 HA ASP 51 HA ASP 51 10.927 -9.215 -12.886 386 HB2 ASP 51 HB3 ASP 51 8.638 -7.244 -12.537 387 HB3 ASP 51 HB2 ASP 51 8.522 -8.964 -12.895 388 HA PRO 52 HA PRO 52 11.639 -6.824 -16.723 389 HB2 PRO 52 HB3 PRO 52 12.586 -8.808 -18.276 390 HB3 PRO 52 HB2 PRO 52 13.520 -8.204 -16.900 391 HG2 PRO 52 HG3 PRO 52 11.804 -10.678 -17.091 392 HG3 PRO 52 HG2 PRO 52 13.423 -10.491 -16.381 393 HD2 PRO 52 HD3 PRO 52 11.058 -10.465 -14.918 394 HD3 PRO 52 HD2 PRO 52 12.574 -9.715 -14.374 395 H ASN 53 H ASN 53 9.477 -9.601 -16.463 396 HA ASN 53 HA ASN 53 8.151 -8.983 -19.040 397 HB2 ASN 53 HB3 ASN 53 7.989 -11.402 -17.202 398 HB3 ASN 53 HB2 ASN 53 6.923 -11.184 -18.584 399 HD21 ASN 53 HD21 ASN 53 10.400 -10.387 -18.558 400 HD22 ASN 53 HD22 ASN 53 10.840 -11.589 -19.701 401 H LEU 54 H LEU 54 7.794 -8.543 -15.665 402 HA LEU 54 HA LEU 54 6.311 -7.522 -14.339 403 HB2 LEU 54 HB3 LEU 54 5.328 -6.396 -16.971 404 HB3 LEU 54 HB2 LEU 54 4.623 -5.921 -15.434 405 HG LEU 54 HG LEU 54 7.020 -5.234 -14.734 406 HD11 LEU 54 HD11 LEU 54 8.291 -6.328 -16.504 407 HD12 LEU 54 HD12 LEU 54 8.573 -4.590 -16.503 408 HD13 LEU 54 HD13 LEU 54 7.514 -5.307 -17.718 409 HD21 LEU 54 HD21 LEU 54 6.799 -3.018 -15.716 410 HD22 LEU 54 HD22 LEU 54 5.231 -3.622 -15.191 411 HD23 LEU 54 HD23 LEU 54 5.649 -3.631 -16.907 412 H VAL 55 H VAL 55 5.483 -10.186 -15.781 413 HA VAL 55 HA VAL 55 2.624 -10.327 -15.553 414 HB VAL 55 HB VAL 55 4.617 -12.650 -15.486 415 HG11 VAL 55 HG11 VAL 55 2.741 -14.012 -16.388 416 HG12 VAL 55 HG12 VAL 55 1.670 -12.614 -16.265 417 HG13 VAL 55 HG13 VAL 55 2.353 -13.332 -14.806 418 HG21 VAL 55 HG21 VAL 55 4.309 -12.823 -17.938 419 HG22 VAL 55 HG22 VAL 55 5.027 -11.277 -17.485 420 HG23 VAL 55 HG23 VAL 55 3.319 -11.360 -17.921 421 H ILE 56 H ILE 56 5.181 -10.366 -13.292 422 HA ILE 56 HA ILE 56 3.919 -11.881 -11.164 423 HB ILE 56 HB ILE 56 6.419 -10.138 -10.958 424 HG12 ILE 56 HG12 ILE 56 6.695 -11.650 -12.912 425 HG13 ILE 56 HG11 ILE 56 7.781 -12.109 -11.608 426 HG21 ILE 56 HG21 ILE 56 5.604 -12.628 -9.405 427 HG22 ILE 56 HG22 ILE 56 5.605 -10.974 -8.797 428 HG23 ILE 56 HG23 ILE 56 7.129 -11.755 -9.213 429 HD11 ILE 56 HD11 ILE 56 5.194 -13.491 -12.335 430 HD12 ILE 56 HD12 ILE 56 6.277 -13.961 -11.021 431 HD13 ILE 56 HD13 ILE 56 6.826 -14.050 -12.694 432 H ARG 57 H ARG 57 2.556 -9.434 -12.204 433 HA ARG 57 HA ARG 57 2.645 -7.072 -10.890 434 HB2 ARG 57 HB3 ARG 57 1.059 -7.987 -12.783 435 HB3 ARG 57 HB2 ARG 57 -0.027 -8.391 -11.465 436 HG2 ARG 57 HG3 ARG 57 -0.816 -6.304 -12.136 437 HG3 ARG 57 HG2 ARG 57 0.227 -5.886 -10.774 438 HD2 ARG 57 HD3 ARG 57 0.692 -4.328 -12.545 439 HD3 ARG 57 HD2 ARG 57 2.084 -5.414 -12.441 440 HE ARG 57 HE ARG 57 0.095 -6.250 -14.351 441 HH11 ARG 57 HH11 ARG 57 2.956 -4.339 -13.976 442 HH12 ARG 57 HH12 ARG 57 3.219 -4.250 -15.679 443 HH21 ARG 57 HH21 ARG 57 0.479 -6.106 -16.497 444 HH22 ARG 57 HH22 ARG 57 1.853 -5.243 -17.075 445 H LYS 58 H LYS 58 0.873 -9.948 -9.768 446 HA LYS 58 HA LYS 58 -0.513 -8.826 -7.601 447 HB2 LYS 58 HB3 LYS 58 -0.961 -11.045 -8.797 448 HB3 LYS 58 HB2 LYS 58 0.329 -11.748 -7.834 449 HG2 LYS 58 HG3 LYS 58 -2.048 -10.409 -6.518 450 HG3 LYS 58 HG2 LYS 58 -2.153 -12.071 -7.093 451 HD2 LYS 58 HD3 LYS 58 -0.344 -12.746 -5.577 452 HD3 LYS 58 HD2 LYS 58 -0.109 -11.073 -5.069 453 HE2 LYS 58 HE3 LYS 58 -2.638 -12.691 -4.605 454 HE3 LYS 58 HE2 LYS 58 -1.387 -12.383 -3.400 455 HZ1 LYS 58 HZ1 LYS 58 -1.824 -10.016 -3.619 456 HZ2 LYS 58 HZ2 LYS 58 -3.212 -10.851 -3.152 457 HZ3 LYS 58 HZ3 LYS 58 -3.045 -10.321 -4.748 458 H ARG 59 H ARG 59 2.590 -10.593 -7.647 459 HA ARG 59 HA ARG 59 3.189 -10.284 -4.870 460 HB2 ARG 59 HB3 ARG 59 4.248 -12.020 -6.287 461 HB3 ARG 59 HB2 ARG 59 5.067 -10.767 -7.212 462 HG2 ARG 59 HG3 ARG 59 6.339 -10.104 -5.190 463 HG3 ARG 59 HG2 ARG 59 5.520 -11.370 -4.269 464 HD2 ARG 59 HD3 ARG 59 6.507 -13.084 -5.753 465 HD3 ARG 59 HD2 ARG 59 7.315 -11.813 -6.679 466 HE ARG 59 HE ARG 59 8.040 -11.612 -3.961 467 HH11 ARG 59 HH11 ARG 59 8.652 -13.650 -6.705 468 HH12 ARG 59 HH12 ARG 59 10.179 -14.169 -6.090 469 HH21 ARG 59 HH21 ARG 59 9.984 -12.302 -3.219 470 HH22 ARG 59 HH22 ARG 59 10.925 -13.408 -4.153 471 H LYS 60 H LYS 60 4.000 -8.348 -7.777 472 HA LYS 60 HA LYS 60 5.809 -6.474 -6.815 473 HB2 LYS 60 HB3 LYS 60 3.539 -6.105 -8.796 474 HB3 LYS 60 HB2 LYS 60 4.677 -4.816 -8.445 475 HG2 LYS 60 HG3 LYS 60 6.520 -6.168 -9.315 476 HG3 LYS 60 HG2 LYS 60 5.396 -7.497 -9.652 477 HD2 LYS 60 HD3 LYS 60 4.197 -6.173 -11.282 478 HD3 LYS 60 HD2 LYS 60 5.056 -4.703 -10.817 479 HE2 LYS 60 HE3 LYS 60 6.301 -7.119 -12.153 480 HE3 LYS 60 HE2 LYS 60 5.856 -5.611 -12.958 481 HZ1 LYS 60 HZ1 LYS 60 7.403 -4.460 -11.452 482 HZ2 LYS 60 HZ2 LYS 60 8.170 -5.569 -12.464 483 HZ3 LYS 60 HZ3 LYS 60 7.909 -5.953 -10.835 484 H VAL 61 H VAL 61 2.218 -6.056 -6.834 485 HA VAL 61 HA VAL 61 2.358 -3.609 -5.294 486 HB VAL 61 HB VAL 61 -0.138 -5.275 -5.756 487 HG11 VAL 61 HG11 VAL 61 0.170 -2.298 -5.173 488 HG12 VAL 61 HG12 VAL 61 -0.440 -3.514 -4.052 489 HG13 VAL 61 HG13 VAL 61 -1.358 -3.126 -5.506 490 HG21 VAL 61 HG21 VAL 61 -0.549 -3.888 -7.755 491 HG22 VAL 61 HG22 VAL 61 0.933 -4.833 -7.911 492 HG23 VAL 61 HG23 VAL 61 1.023 -3.111 -7.535 493 H GLY 62 H GLY 62 1.920 -7.003 -4.448 494 HA2 GLY 62 HA3 GLY 62 1.211 -6.767 -1.721 495 HA3 GLY 62 HA2 GLY 62 2.166 -8.069 -2.416 496 H VAL 63 H VAL 63 4.362 -6.562 -3.323 497 HA VAL 63 HA VAL 63 5.915 -6.036 -0.955 498 HB VAL 63 HB VAL 63 6.556 -5.366 -3.869 499 HG11 VAL 63 HG11 VAL 63 8.924 -5.262 -3.141 500 HG12 VAL 63 HG12 VAL 63 8.422 -5.504 -1.466 501 HG13 VAL 63 HG13 VAL 63 7.945 -4.041 -2.330 502 HG21 VAL 63 HG21 VAL 63 7.909 -7.435 -3.872 503 HG22 VAL 63 HG22 VAL 63 6.212 -7.785 -3.554 504 HG23 VAL 63 HG23 VAL 63 7.374 -7.797 -2.227 505 H LEU 64 H LEU 64 4.433 -3.968 -3.477 506 HA LEU 64 HA LEU 64 5.358 -1.452 -2.783 507 HB2 LEU 64 HB3 LEU 64 4.072 -1.779 -4.820 508 HB3 LEU 64 HB2 LEU 64 2.654 -2.265 -3.907 509 HG LEU 64 HG LEU 64 2.475 0.075 -2.995 510 HD11 LEU 64 HD11 LEU 64 4.682 0.742 -4.962 511 HD12 LEU 64 HD12 LEU 64 4.802 0.784 -3.201 512 HD13 LEU 64 HD13 LEU 64 3.728 1.903 -4.034 513 HD21 LEU 64 HD21 LEU 64 2.381 -0.112 -6.025 514 HD22 LEU 64 HD22 LEU 64 1.559 1.095 -5.032 515 HD23 LEU 64 HD23 LEU 64 1.100 -0.602 -4.910 516 H LEU 65 H LEU 65 2.295 -2.918 -1.661 517 HA LEU 65 HA LEU 65 1.399 -0.955 0.090 518 HB2 LEU 65 HB3 LEU 65 1.053 -3.970 0.295 519 HB3 LEU 65 HB2 LEU 65 0.114 -2.799 1.210 520 HG LEU 65 HG LEU 65 0.096 -3.030 -1.828 521 HD11 LEU 65 HD11 LEU 65 -0.936 -5.007 -0.817 522 HD12 LEU 65 HD12 LEU 65 -2.144 -3.999 -1.609 523 HD13 LEU 65 HD13 LEU 65 -2.000 -3.980 0.152 524 HD21 LEU 65 HD21 LEU 65 -0.383 -0.751 -1.069 525 HD22 LEU 65 HD22 LEU 65 -1.642 -1.351 0.014 526 HD23 LEU 65 HD23 LEU 65 -1.829 -1.504 -1.735 527 H ASP 66 H ASP 66 3.558 -3.704 0.747 528 HA ASP 66 HA ASP 66 3.964 -3.340 3.520 529 HB2 ASP 66 HB3 ASP 66 4.520 -5.433 2.369 530 HB3 ASP 66 HB2 ASP 66 5.740 -4.621 1.396 531 H ILE 67 H ILE 67 5.814 -2.102 0.730 532 HA ILE 67 HA ILE 67 7.820 -0.672 2.145 533 HB ILE 67 HB ILE 67 6.737 -0.189 -0.672 534 HG12 ILE 67 HG12 ILE 67 7.622 -2.465 -0.481 535 HG13 ILE 67 HG11 ILE 67 8.730 -1.503 -1.446 536 HG21 ILE 67 HG21 ILE 67 8.887 0.956 -1.161 537 HG22 ILE 67 HG22 ILE 67 9.339 0.815 0.540 538 HG23 ILE 67 HG23 ILE 67 7.951 1.797 0.073 539 HD11 ILE 67 HD11 ILE 67 9.097 -2.323 1.435 540 HD12 ILE 67 HD12 ILE 67 10.197 -1.279 0.529 541 HD13 ILE 67 HD13 ILE 67 9.952 -2.950 0.025 542 H LEU 68 H LEU 68 4.563 0.188 1.111 543 HA LEU 68 HA LEU 68 4.688 2.974 1.764 544 HB2 LEU 68 HB3 LEU 68 2.300 1.132 1.434 545 HB3 LEU 68 HB2 LEU 68 2.205 2.882 1.567 546 HG LEU 68 HG LEU 68 3.525 1.355 -0.710 547 HD11 LEU 68 HD11 LEU 68 0.917 2.897 -0.681 548 HD12 LEU 68 HD12 LEU 68 1.090 1.142 -0.756 549 HD13 LEU 68 HD13 LEU 68 1.661 2.136 -2.092 550 HD21 LEU 68 HD21 LEU 68 3.757 3.523 -1.836 551 HD22 LEU 68 HD22 LEU 68 4.666 3.494 -0.329 552 HD23 LEU 68 HD23 LEU 68 3.124 4.350 -0.408 553 H GLN 69 H GLN 69 3.662 0.042 3.547 554 HA GLN 69 HA GLN 69 2.523 1.132 5.859 555 HB2 GLN 69 HB3 GLN 69 4.258 -1.365 5.609 556 HB3 GLN 69 HB2 GLN 69 3.310 -0.972 7.043 557 HG2 GLN 69 HG3 GLN 69 1.238 -1.172 5.761 558 HG3 GLN 69 HG2 GLN 69 2.155 -1.458 4.288 559 HE21 GLN 69 HE21 GLN 69 1.267 -3.487 3.893 560 HE22 GLN 69 HE22 GLN 69 1.597 -4.863 4.881 561 H ARG 70 H ARG 70 5.937 0.635 5.085 562 HA ARG 70 HA ARG 70 7.219 1.339 7.449 563 HB2 ARG 70 HB3 ARG 70 8.165 2.201 4.689 564 HB3 ARG 70 HB2 ARG 70 9.161 1.917 6.114 565 HG2 ARG 70 HG3 ARG 70 8.638 -0.505 5.979 566 HG3 ARG 70 HG2 ARG 70 7.651 -0.204 4.544 567 HD2 ARG 70 HD3 ARG 70 10.655 0.134 4.837 568 HD3 ARG 70 HD2 ARG 70 9.791 -0.975 3.769 569 HE ARG 70 HE ARG 70 8.918 1.218 2.714 570 HH11 ARG 70 HH11 ARG 70 12.117 0.827 3.944 571 HH12 ARG 70 HH12 ARG 70 12.775 2.005 2.873 572 HH21 ARG 70 HH21 ARG 70 9.786 2.780 1.397 573 HH22 ARG 70 HH22 ARG 70 11.485 3.077 1.442 574 H THR 71 H THR 71 5.788 3.444 4.987 575 HA THR 71 HA THR 71 6.741 5.906 6.308 576 HB THR 71 HB THR 71 5.964 7.101 4.340 577 HG1 THR 71 HG1 THR 71 4.964 4.672 3.256 578 HG21 THR 71 HG21 THR 71 7.319 4.522 3.464 579 HG22 THR 71 HG22 THR 71 8.140 5.963 4.066 580 HG23 THR 71 HG23 THR 71 7.267 6.025 2.539 581 H GLY 72 H GLY 72 4.148 3.817 6.590 582 HA2 GLY 72 HA3 GLY 72 2.220 3.933 7.819 583 HA3 GLY 72 HA2 GLY 72 2.686 5.555 8.298 584 H HIS 73 H HIS 73 1.111 6.959 7.862 585 HA HIS 73 HA HIS 73 -1.124 6.320 6.216 586 HB2 HIS 73 HB2 HIS 73 -1.077 7.726 8.382 587 HB3 HIS 73 HB1 HIS 73 -0.563 9.073 7.374 588 HD2 HIS 73 HD2 HIS 73 -2.571 10.286 5.900 589 HE1 HIS 73 HE1 HIS 73 -5.665 7.663 7.112 590 HE2 HIS 73 HE2 HIS 73 -5.091 9.724 5.764 591 H LYS 74 H LYS 74 1.725 8.356 5.701 592 HA LYS 74 HA LYS 74 0.716 9.749 3.403 593 HB2 LYS 74 HB3 LYS 74 2.921 10.653 3.130 594 HB3 LYS 74 HB2 LYS 74 2.582 10.585 4.855 595 HG2 LYS 74 HG3 LYS 74 3.903 8.478 4.989 596 HG3 LYS 74 HG2 LYS 74 4.317 8.668 3.286 597 HD2 LYS 74 HD3 LYS 74 5.069 10.557 5.556 598 HD3 LYS 74 HD2 LYS 74 6.158 9.466 4.699 599 HE2 LYS 74 HE3 LYS 74 4.710 11.838 3.471 600 HE3 LYS 74 HE2 LYS 74 6.409 11.794 3.937 601 HZ1 LYS 74 HZ1 LYS 74 6.781 10.058 2.298 602 HZ2 LYS 74 HZ2 LYS 74 6.123 11.440 1.573 603 HZ3 LYS 74 HZ3 LYS 74 5.144 10.095 1.858 604 H GLY 75 H GLY 75 2.240 6.617 3.831 605 HA2 GLY 75 HA3 GLY 75 2.710 5.968 1.100 606 HA3 GLY 75 HA2 GLY 75 2.394 4.824 2.396 607 H TYR 76 H TYR 76 -0.152 5.543 3.169 608 HA TYR 76 HA TYR 76 -1.972 4.470 1.295 609 HB2 TYR 76 HB2 TYR 76 -2.451 4.400 3.651 610 HB3 TYR 76 HB1 TYR 76 -2.312 6.141 3.811 611 HD1 TYR 76 HD1 TYR 76 -4.304 7.367 4.001 612 HD2 TYR 76 HD2 TYR 76 -4.427 3.591 2.002 613 HE1 TYR 76 HE1 TYR 76 -6.746 7.552 3.809 614 HE2 TYR 76 HE2 TYR 76 -6.873 3.777 1.812 615 HH TYR 76 HH TYR 76 -8.739 4.927 2.812 616 H VAL 77 H VAL 77 -1.195 7.855 2.095 617 HA VAL 77 HA VAL 77 -2.947 9.221 0.362 618 HB VAL 77 HB VAL 77 -0.108 10.037 1.162 619 HG11 VAL 77 HG11 VAL 77 -2.378 11.772 0.115 620 HG12 VAL 77 HG12 VAL 77 -0.896 11.367 -0.751 621 HG13 VAL 77 HG13 VAL 77 -0.821 12.368 0.699 622 HG21 VAL 77 HG21 VAL 77 -1.476 9.649 3.150 623 HG22 VAL 77 HG22 VAL 77 -2.752 10.696 2.519 624 HG23 VAL 77 HG23 VAL 77 -1.181 11.377 2.955 625 H ALA 78 H ALA 78 0.449 8.246 -0.171 626 HA ALA 78 HA ALA 78 0.825 8.968 -2.837 627 HB1 ALA 78 HB1 ALA 78 2.041 6.593 -1.379 628 HB2 ALA 78 HB2 ALA 78 2.648 8.249 -1.332 629 HB3 ALA 78 HB3 ALA 78 2.677 7.342 -2.846 630 H PHE 79 H PHE 79 -0.507 5.994 -1.479 631 HA PHE 79 HA PHE 79 -0.764 4.458 -3.831 632 HB2 PHE 79 HB2 PHE 79 -0.917 3.582 -1.468 633 HB3 PHE 79 HB1 PHE 79 -2.501 4.336 -1.319 634 HD1 PHE 79 HD1 PHE 79 -4.460 3.177 -2.091 635 HD2 PHE 79 HD2 PHE 79 -0.584 1.775 -3.238 636 HE1 PHE 79 HE1 PHE 79 -5.469 1.150 -3.054 637 HE2 PHE 79 HE2 PHE 79 -1.603 -0.245 -4.190 638 HZ PHE 79 HZ PHE 79 -4.040 -0.560 -4.105 639 H LEU 80 H LEU 80 -3.225 6.463 -2.104 640 HA LEU 80 HA LEU 80 -5.305 6.116 -4.017 641 HB2 LEU 80 HB3 LEU 80 -4.898 8.352 -2.010 642 HB3 LEU 80 HB2 LEU 80 -6.383 8.080 -2.916 643 HG LEU 80 HG LEU 80 -5.192 6.218 -0.821 644 HD11 LEU 80 HD11 LEU 80 -7.685 7.939 -0.782 645 HD12 LEU 80 HD12 LEU 80 -6.207 8.196 0.149 646 HD13 LEU 80 HD13 LEU 80 -7.213 6.786 0.469 647 HD21 LEU 80 HD21 LEU 80 -6.276 4.878 -2.579 648 HD22 LEU 80 HD22 LEU 80 -7.744 5.849 -2.442 649 HD23 LEU 80 HD23 LEU 80 -7.220 4.838 -1.092 650 H GLU 81 H GLU 81 -2.785 8.562 -3.763 651 HA GLU 81 HA GLU 81 -3.778 10.362 -5.737 652 HB2 GLU 81 HB3 GLU 81 -1.014 9.974 -4.535 653 HB3 GLU 81 HB2 GLU 81 -1.394 11.261 -5.672 654 HG2 GLU 81 HG3 GLU 81 -2.696 10.888 -2.956 655 HG3 GLU 81 HG2 GLU 81 -1.390 12.016 -3.318 656 H SER 82 H SER 82 -1.350 7.723 -5.851 657 HA SER 82 HA SER 82 -0.665 7.986 -8.605 658 HB2 SER 82 HB3 SER 82 0.312 5.730 -8.406 659 HB3 SER 82 HB2 SER 82 0.727 6.702 -6.997 660 HG SER 82 HG SER 82 -0.539 5.498 -5.758 661 H LEU 83 H LEU 83 -3.212 6.125 -6.955 662 HA LEU 83 HA LEU 83 -4.403 4.868 -9.167 663 HB2 LEU 83 HB3 LEU 83 -5.651 6.016 -6.649 664 HB3 LEU 83 HB2 LEU 83 -6.572 5.096 -7.828 665 HG LEU 83 HG LEU 83 -4.196 4.005 -6.272 666 HD11 LEU 83 HD11 LEU 83 -6.071 4.440 -4.763 667 HD12 LEU 83 HD12 LEU 83 -5.830 2.709 -4.983 668 HD13 LEU 83 HD13 LEU 83 -7.155 3.524 -5.817 669 HD21 LEU 83 HD21 LEU 83 -4.933 1.811 -7.123 670 HD22 LEU 83 HD22 LEU 83 -4.459 2.889 -8.430 671 HD23 LEU 83 HD23 LEU 83 -6.171 2.601 -8.104 672 H GLU 84 H GLU 84 -5.512 7.965 -7.684 673 HA GLU 84 HA GLU 84 -7.337 8.658 -9.677 674 HB2 GLU 84 HB3 GLU 84 -7.340 9.654 -7.430 675 HB3 GLU 84 HB2 GLU 84 -5.830 10.486 -7.768 676 HG2 GLU 84 HG3 GLU 84 -7.790 11.988 -7.864 677 HG3 GLU 84 HG2 GLU 84 -6.910 11.922 -9.390 678 H LEU 85 H LEU 85 -3.849 9.230 -9.636 679 HA LEU 85 HA LEU 85 -3.845 11.071 -11.876 680 HB2 LEU 85 HB3 LEU 85 -2.107 10.801 -9.922 681 HB3 LEU 85 HB2 LEU 85 -1.419 9.527 -10.909 682 HG LEU 85 HG LEU 85 -1.706 12.415 -11.856 683 HD11 LEU 85 HD11 LEU 85 0.684 12.712 -11.346 684 HD12 LEU 85 HD12 LEU 85 0.740 11.103 -10.621 685 HD13 LEU 85 HD13 LEU 85 -0.248 12.369 -9.890 686 HD21 LEU 85 HD21 LEU 85 -1.464 10.817 -13.707 687 HD22 LEU 85 HD22 LEU 85 -0.013 10.143 -12.964 688 HD23 LEU 85 HD23 LEU 85 -0.015 11.809 -13.554 689 H TYR 86 H TYR 86 -2.862 7.607 -11.505 690 HA TYR 86 HA TYR 86 -2.379 7.377 -14.400 691 HB2 TYR 86 HB2 TYR 86 -1.751 5.483 -12.100 692 HB3 TYR 86 HB1 TYR 86 -1.390 5.128 -13.788 693 HD1 TYR 86 HD1 TYR 86 -0.617 7.568 -11.028 694 HD2 TYR 86 HD2 TYR 86 0.649 5.910 -14.761 695 HE1 TYR 86 HE1 TYR 86 1.556 8.691 -10.791 696 HE2 TYR 86 HE2 TYR 86 2.816 7.037 -14.522 697 HH TYR 86 HH TYR 86 3.865 8.827 -13.375 698 H TYR 87 H TYR 87 -4.270 5.623 -11.893 699 HA TYR 87 HA TYR 87 -6.056 4.513 -14.016 700 HB2 TYR 87 HB2 TYR 87 -5.476 3.203 -11.325 701 HB3 TYR 87 HB1 TYR 87 -6.358 2.507 -12.676 702 HD1 TYR 87 HD1 TYR 87 -3.192 2.651 -11.050 703 HD2 TYR 87 HD2 TYR 87 -4.975 2.214 -14.915 704 HE1 TYR 87 HE1 TYR 87 -1.120 1.618 -11.890 705 HE2 TYR 87 HE2 TYR 87 -2.911 1.178 -15.745 706 HH TYR 87 HH TYR 87 -0.500 0.000 -13.816 707 HA PRO 88 HA PRO 88 -8.427 7.337 -11.000 708 HB2 PRO 88 HB3 PRO 88 -9.954 8.671 -12.860 709 HB3 PRO 88 HB2 PRO 88 -8.303 9.156 -12.433 710 HG2 PRO 88 HG3 PRO 88 -9.242 7.480 -14.772 711 HG3 PRO 88 HG2 PRO 88 -8.112 8.856 -14.765 712 HD2 PRO 88 HD3 PRO 88 -7.216 6.310 -14.816 713 HD3 PRO 88 HD2 PRO 88 -6.354 7.566 -13.902 714 H GLN 89 H GLN 89 -9.750 5.489 -13.748 715 HA GLN 89 HA GLN 89 -12.384 5.121 -12.772 716 HB2 GLN 89 HB3 GLN 89 -12.720 3.570 -14.530 717 HB3 GLN 89 HB2 GLN 89 -11.592 4.746 -15.173 718 HG2 GLN 89 HG3 GLN 89 -10.740 2.032 -14.119 719 HG3 GLN 89 HG2 GLN 89 -11.207 2.308 -15.788 720 HE21 GLN 89 HE21 GLN 89 -9.224 1.717 -16.613 721 HE22 GLN 89 HE22 GLN 89 -7.786 2.640 -16.402 722 H LEU 90 H LEU 90 -9.394 3.327 -12.227 723 HA LEU 90 HA LEU 90 -10.550 1.163 -10.735 724 HB2 LEU 90 HB3 LEU 90 -8.338 0.927 -11.782 725 HB3 LEU 90 HB2 LEU 90 -7.707 2.236 -10.796 726 HG LEU 90 HG LEU 90 -8.001 0.850 -8.751 727 HD11 LEU 90 HD11 LEU 90 -9.877 -0.569 -9.430 728 HD12 LEU 90 HD12 LEU 90 -8.515 -1.542 -8.888 729 HD13 LEU 90 HD13 LEU 90 -8.850 -1.392 -10.612 730 HD21 LEU 90 HD21 LEU 90 -5.835 0.834 -9.888 731 HD22 LEU 90 HD22 LEU 90 -6.356 -0.514 -10.903 732 HD23 LEU 90 HD23 LEU 90 -6.174 -0.736 -9.162 733 H TYR 91 H TYR 91 -9.005 4.269 -9.856 734 HA TYR 91 HA TYR 91 -9.104 4.192 -7.086 735 HB2 TYR 91 HB2 TYR 91 -8.080 6.074 -8.282 736 HB3 TYR 91 HB1 TYR 91 -9.643 6.578 -8.908 737 HD1 TYR 91 HD1 TYR 91 -7.696 6.212 -5.715 738 HD2 TYR 91 HD2 TYR 91 -11.019 8.087 -7.646 739 HE1 TYR 91 HE1 TYR 91 -8.034 7.656 -3.755 740 HE2 TYR 91 HE2 TYR 91 -11.342 9.530 -5.689 741 HH TYR 91 HH TYR 91 -9.027 9.846 -3.240 742 H LYS 92 H LYS 92 -11.737 5.147 -9.299 743 HA LYS 92 HA LYS 92 -13.759 5.815 -7.486 744 HB2 LYS 92 HB3 LYS 92 -13.981 4.507 -10.221 745 HB3 LYS 92 HB2 LYS 92 -15.356 5.175 -9.342 746 HG2 LYS 92 HG3 LYS 92 -14.313 7.417 -9.422 747 HG3 LYS 92 HG2 LYS 92 -12.937 6.742 -10.296 748 HD2 LYS 92 HD3 LYS 92 -14.481 7.851 -11.848 749 HD3 LYS 92 HD2 LYS 92 -14.414 6.119 -12.175 750 HE2 LYS 92 HE3 LYS 92 -16.560 5.791 -11.027 751 HE3 LYS 92 HE2 LYS 92 -16.608 7.499 -10.583 752 HZ1 LYS 92 HZ1 LYS 92 -17.996 7.034 -12.495 753 HZ2 LYS 92 HZ2 LYS 92 -16.672 6.429 -13.351 754 HZ3 LYS 92 HZ3 LYS 92 -16.726 8.064 -12.929 755 H LYS 93 H LYS 93 -12.783 2.598 -8.632 756 HA LYS 93 HA LYS 93 -14.847 1.079 -7.348 757 HB2 LYS 93 HB3 LYS 93 -12.035 0.168 -8.131 758 HB3 LYS 93 HB2 LYS 93 -13.392 -0.891 -7.748 759 HG2 LYS 93 HG3 LYS 93 -13.284 1.026 -10.100 760 HG3 LYS 93 HG2 LYS 93 -12.946 -0.707 -10.188 761 HD2 LYS 93 HD3 LYS 93 -15.256 -1.225 -9.537 762 HD3 LYS 93 HD2 LYS 93 -15.609 0.489 -9.306 763 HE2 LYS 93 HE3 LYS 93 -16.523 -0.309 -11.438 764 HE3 LYS 93 HE2 LYS 93 -15.257 0.886 -11.722 765 HZ1 LYS 93 HZ1 LYS 93 -13.715 -0.923 -12.182 766 HZ2 LYS 93 HZ2 LYS 93 -15.053 -0.993 -13.214 767 HZ3 LYS 93 HZ3 LYS 93 -14.934 -2.061 -11.911 768 H VAL 94 H VAL 94 -11.472 1.847 -6.467 769 HA VAL 94 HA VAL 94 -11.222 0.337 -4.115 770 HB VAL 94 HB VAL 94 -9.797 2.975 -4.705 771 HG11 VAL 94 HG11 VAL 94 -7.950 2.064 -3.322 772 HG12 VAL 94 HG12 VAL 94 -8.920 0.633 -2.966 773 HG13 VAL 94 HG13 VAL 94 -9.439 2.215 -2.387 774 HG21 VAL 94 HG21 VAL 94 -9.019 0.163 -5.557 775 HG22 VAL 94 HG22 VAL 94 -8.038 1.611 -5.787 776 HG23 VAL 94 HG23 VAL 94 -9.582 1.455 -6.614 777 H THR 95 H THR 95 -12.178 3.756 -4.443 778 HA THR 95 HA THR 95 -12.710 4.053 -1.579 779 HB THR 95 HB THR 95 -11.642 5.936 -2.744 780 HG1 THR 95 HG1 THR 95 -12.950 6.480 -0.990 781 HG21 THR 95 HG21 THR 95 -12.851 7.317 -4.378 782 HG22 THR 95 HG22 THR 95 -14.210 6.191 -4.349 783 HG23 THR 95 HG23 THR 95 -12.649 5.676 -4.986 784 H GLY 96 H GLY 96 -14.490 3.278 -4.448 785 HA2 GLY 96 HA3 GLY 96 -16.684 2.733 -4.831 786 HA3 GLY 96 HA2 GLY 96 -16.938 2.755 -3.095 787 H LYS 97 H LYS 97 -15.995 5.397 -5.313 788 HA LYS 97 HA LYS 97 -18.023 7.137 -4.117 789 HB2 LYS 97 HB3 LYS 97 -16.872 8.984 -5.176 790 HB3 LYS 97 HB2 LYS 97 -15.697 7.953 -4.374 791 HG2 LYS 97 HG3 LYS 97 -15.139 6.946 -6.608 792 HG3 LYS 97 HG2 LYS 97 -16.229 8.113 -7.360 793 HD2 LYS 97 HD3 LYS 97 -13.708 8.769 -5.770 794 HD3 LYS 97 HD2 LYS 97 -13.887 8.873 -7.522 795 HE2 LYS 97 HE3 LYS 97 -15.423 10.555 -5.500 796 HE3 LYS 97 HE2 LYS 97 -14.028 11.097 -6.433 797 HZ1 LYS 97 HZ1 LYS 97 -16.602 10.190 -7.606 798 HZ2 LYS 97 HZ2 LYS 97 -15.276 10.810 -8.450 799 HZ3 LYS 97 HZ3 LYS 97 -16.142 11.803 -7.395 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 1.639 -5.168 5.685 2 H2 MET 1 HT2 MET 1 0.286 -4.608 6.523 3 H3 MET 1 HT3 MET 1 0.176 -4.944 4.870 4 HA MET 1 HA MET 1 -0.868 -6.674 6.137 5 HB2 MET 1 HB2 MET 1 1.765 -7.568 4.890 6 HB3 MET 1 HB1 MET 1 0.399 -8.626 5.221 7 HG2 MET 1 HG2 MET 1 -0.965 -7.256 3.622 8 HG3 MET 1 HG1 MET 1 0.504 -6.361 3.216 9 HE1 MET 1 HE1 MET 1 2.732 -8.695 3.283 10 HE2 MET 1 HE2 MET 1 2.652 -7.545 1.946 11 HE3 MET 1 HE3 MET 1 2.705 -9.277 1.617 12 H SER 2 H SER 2 2.536 -6.186 7.106 13 HA SER 2 HA SER 2 2.598 -8.229 9.108 14 HB2 SER 2 HB3 SER 2 4.798 -7.219 9.732 15 HB3 SER 2 HB2 SER 2 4.669 -7.510 8.000 16 HG SER 2 HG SER 2 4.137 -5.002 9.220 17 H ASP 3 H ASP 3 1.907 -8.143 11.149 18 HA ASP 3 HA ASP 3 0.315 -6.012 12.119 19 HB2 ASP 3 HB3 ASP 3 1.375 -8.465 13.586 20 HB3 ASP 3 HB2 ASP 3 0.080 -7.417 14.162 21 H TYR 4 H TYR 4 1.631 -4.181 12.196 22 HA TYR 4 HA TYR 4 3.084 -3.855 14.752 23 HB2 TYR 4 HB2 TYR 4 3.940 -2.694 12.050 24 HB3 TYR 4 HB1 TYR 4 4.607 -2.182 13.595 25 HD1 TYR 4 HD1 TYR 4 5.729 -4.059 15.062 26 HD2 TYR 4 HD2 TYR 4 5.021 -4.462 10.862 27 HE1 TYR 4 HE1 TYR 4 7.460 -5.796 14.937 28 HE2 TYR 4 HE2 TYR 4 6.758 -6.203 10.745 29 HH TYR 4 HH TYR 4 8.014 -7.747 13.436 30 H GLU 5 H GLU 5 2.180 -2.229 15.938 31 HA GLU 5 HA GLU 5 -0.033 -0.684 14.999 32 HB2 GLU 5 HB3 GLU 5 1.629 -0.388 17.536 33 HB3 GLU 5 HB2 GLU 5 0.123 0.474 17.223 34 HG2 GLU 5 HG3 GLU 5 -1.127 -1.610 17.202 35 HG3 GLU 5 HG2 GLU 5 0.362 -2.545 17.346 36 H ASN 6 H ASN 6 0.725 0.411 13.195 37 HA ASN 6 HA ASN 6 2.122 2.959 13.701 38 HB2 ASN 6 HB3 ASN 6 3.864 1.468 12.800 39 HB3 ASN 6 HB2 ASN 6 2.826 1.013 11.458 40 HD21 ASN 6 HD21 ASN 6 4.758 3.588 12.822 41 HD22 ASN 6 HD22 ASN 6 4.894 4.511 11.370 42 H ASP 7 H ASP 7 0.581 1.061 11.050 43 HA ASP 7 HA ASP 7 -1.495 3.006 10.628 44 HB2 ASP 7 HB3 ASP 7 0.587 4.126 9.640 45 HB3 ASP 7 HB2 ASP 7 0.647 2.831 8.449 46 H ASP 8 H ASP 8 -0.776 -0.081 10.682 47 HA ASP 8 HA ASP 8 -1.064 -1.191 8.124 48 HB2 ASP 8 HB3 ASP 8 -0.049 -2.258 10.200 49 HB3 ASP 8 HB2 ASP 8 -1.682 -2.583 10.763 50 H GLU 9 H GLU 9 -3.600 0.095 10.092 51 HA GLU 9 HA GLU 9 -5.751 -1.634 9.502 52 HB2 GLU 9 HB3 GLU 9 -5.923 -0.026 11.332 53 HB3 GLU 9 HB2 GLU 9 -5.836 1.326 10.205 54 HG2 GLU 9 HG3 GLU 9 -7.989 0.677 9.213 55 HG3 GLU 9 HG2 GLU 9 -8.064 -0.738 10.260 56 H CYS 10 H CYS 10 -4.911 1.487 7.847 57 HA CYS 10 HA CYS 10 -6.989 1.379 5.915 58 HB2 CYS 10 HB3 CYS 10 -5.595 3.032 4.603 59 HB3 CYS 10 HB2 CYS 10 -5.910 3.494 6.268 60 H TRP 11 H TRP 11 -3.835 -0.082 5.958 61 HA TRP 11 HA TRP 11 -3.798 -0.982 3.217 62 HB2 TRP 11 HB2 TRP 11 -2.153 -1.969 5.593 63 HB3 TRP 11 HB1 TRP 11 -1.770 -2.187 3.882 64 HD1 TRP 11 HD1 TRP 11 -1.387 0.301 6.704 65 HE1 TRP 11 HE1 TRP 11 -0.128 2.372 5.859 66 HE3 TRP 11 HE3 TRP 11 -1.539 -0.647 1.704 67 HZ2 TRP 11 HZ2 TRP 11 0.699 3.456 3.399 68 HZ3 TRP 11 HZ3 TRP 11 -0.494 0.954 0.162 69 HH2 TRP 11 HH2 TRP 11 0.594 2.960 0.992 70 H SER 12 H SER 12 -4.797 -2.317 6.324 71 HA SER 12 HA SER 12 -5.503 -4.937 5.431 72 HB2 SER 12 HB3 SER 12 -5.113 -4.431 7.821 73 HB3 SER 12 HB2 SER 12 -6.522 -3.374 7.841 74 HG SER 12 HG SER 12 -6.453 -5.948 8.326 75 H VAL 13 H VAL 13 -7.143 -1.826 5.362 76 HA VAL 13 HA VAL 13 -9.714 -2.743 4.464 77 HB VAL 13 HB VAL 13 -8.353 -0.028 4.085 78 HG11 VAL 13 HG11 VAL 13 -11.279 -0.749 3.634 79 HG12 VAL 13 HG12 VAL 13 -10.112 -0.295 2.391 80 HG13 VAL 13 HG13 VAL 13 -10.612 0.888 3.598 81 HG21 VAL 13 HG21 VAL 13 -9.779 0.735 5.963 82 HG22 VAL 13 HG22 VAL 13 -8.717 -0.581 6.459 83 HG23 VAL 13 HG23 VAL 13 -10.424 -0.899 6.146 84 H LEU 14 H LEU 14 -6.707 -1.708 2.827 85 HA LEU 14 HA LEU 14 -7.581 -2.023 0.144 86 HB2 LEU 14 HB3 LEU 14 -4.767 -2.191 1.283 87 HB3 LEU 14 HB2 LEU 14 -5.138 -2.149 -0.436 88 HG LEU 14 HG LEU 14 -5.577 0.075 1.587 89 HD11 LEU 14 HD11 LEU 14 -3.271 -0.155 0.820 90 HD12 LEU 14 HD12 LEU 14 -3.989 1.335 0.218 91 HD13 LEU 14 HD13 LEU 14 -3.795 -0.049 -0.864 92 HD21 LEU 14 HD21 LEU 14 -6.443 0.031 -1.327 93 HD22 LEU 14 HD22 LEU 14 -6.466 1.444 -0.267 94 HD23 LEU 14 HD23 LEU 14 -7.502 0.066 0.088 95 H GLU 15 H GLU 15 -6.343 -4.361 2.493 96 HA GLU 15 HA GLU 15 -5.910 -6.566 0.831 97 HB2 GLU 15 HB3 GLU 15 -7.008 -6.586 3.670 98 HB3 GLU 15 HB2 GLU 15 -6.379 -7.998 2.821 99 HG2 GLU 15 HG3 GLU 15 -4.837 -5.545 3.708 100 HG3 GLU 15 HG2 GLU 15 -4.705 -7.176 4.353 101 H GLY 16 H GLY 16 -8.916 -5.221 2.074 102 HA2 GLY 16 HA3 GLY 16 -10.796 -7.131 1.288 103 HA3 GLY 16 HA2 GLY 16 -11.092 -5.410 1.390 104 H PHE 17 H PHE 17 -8.972 -4.915 -0.723 105 HA PHE 17 HA PHE 17 -10.420 -5.853 -3.154 106 HB2 PHE 17 HB2 PHE 17 -8.912 -3.226 -2.763 107 HB3 PHE 17 HB1 PHE 17 -9.736 -3.725 -4.234 108 HD1 PHE 17 HD1 PHE 17 -12.280 -4.007 -4.171 109 HD2 PHE 17 HD2 PHE 17 -10.098 -2.057 -1.046 110 HE1 PHE 17 HE1 PHE 17 -14.342 -2.902 -3.411 111 HE2 PHE 17 HE2 PHE 17 -12.173 -0.955 -0.297 112 HZ PHE 17 HZ PHE 17 -14.292 -1.377 -1.482 113 H ARG 18 H ARG 18 -7.898 -6.877 -1.592 114 HA ARG 18 HA ARG 18 -5.499 -5.981 -2.684 115 HB2 ARG 18 HB3 ARG 18 -5.892 -7.378 -0.596 116 HB3 ARG 18 HB2 ARG 18 -5.943 -8.793 -1.618 117 HG2 ARG 18 HG3 ARG 18 -3.524 -6.991 -1.672 118 HG3 ARG 18 HG2 ARG 18 -3.737 -8.118 -0.342 119 HD2 ARG 18 HD3 ARG 18 -3.867 -9.981 -2.012 120 HD3 ARG 18 HD2 ARG 18 -3.498 -8.808 -3.285 121 HE ARG 18 HE ARG 18 -1.591 -8.864 -1.109 122 HH11 ARG 18 HH11 ARG 18 -2.343 -10.167 -4.231 123 HH12 ARG 18 HH12 ARG 18 -0.725 -10.698 -4.507 124 HH21 ARG 18 HH21 ARG 18 0.447 -9.554 -1.485 125 HH22 ARG 18 HH22 ARG 18 0.839 -10.373 -2.956 126 H VAL 19 H VAL 19 -7.296 -8.932 -3.673 127 HA VAL 19 HA VAL 19 -5.523 -9.864 -5.625 128 HB VAL 19 HB VAL 19 -7.364 -11.237 -4.736 129 HG11 VAL 19 HG11 VAL 19 -9.700 -10.992 -5.510 130 HG12 VAL 19 HG12 VAL 19 -9.264 -9.511 -6.363 131 HG13 VAL 19 HG13 VAL 19 -9.156 -9.577 -4.604 132 HG21 VAL 19 HG21 VAL 19 -7.504 -10.992 -7.769 133 HG22 VAL 19 HG22 VAL 19 -8.036 -12.387 -6.827 134 HG23 VAL 19 HG23 VAL 19 -6.330 -11.942 -6.854 135 H THR 20 H THR 20 -8.138 -7.478 -5.942 136 HA THR 20 HA THR 20 -7.977 -7.109 -8.772 137 HB THR 20 HB THR 20 -9.038 -5.136 -6.693 138 HG1 THR 20 HG1 THR 20 -11.104 -6.168 -7.354 139 HG21 THR 20 HG21 THR 20 -10.472 -4.306 -8.536 140 HG22 THR 20 HG22 THR 20 -9.697 -5.429 -9.654 141 HG23 THR 20 HG23 THR 20 -8.761 -4.118 -8.933 142 H LEU 21 H LEU 21 -6.771 -5.171 -6.012 143 HA LEU 21 HA LEU 21 -5.610 -3.042 -7.394 144 HB2 LEU 21 HB3 LEU 21 -4.830 -4.197 -4.689 145 HB3 LEU 21 HB2 LEU 21 -4.323 -2.621 -5.283 146 HG LEU 21 HG LEU 21 -7.189 -3.455 -4.693 147 HD11 LEU 21 HD11 LEU 21 -7.074 -1.886 -2.808 148 HD12 LEU 21 HD12 LEU 21 -5.370 -1.580 -3.153 149 HD13 LEU 21 HD13 LEU 21 -5.896 -3.185 -2.641 150 HD21 LEU 21 HD21 LEU 21 -7.783 -1.113 -5.107 151 HD22 LEU 21 HD22 LEU 21 -7.108 -1.858 -6.549 152 HD23 LEU 21 HD23 LEU 21 -6.121 -0.756 -5.584 153 H THR 22 H THR 22 -3.961 -5.938 -6.081 154 HA THR 22 HA THR 22 -1.359 -5.232 -6.944 155 HB THR 22 HB THR 22 -0.722 -7.560 -6.396 156 HG1 THR 22 HG1 THR 22 -3.547 -7.945 -6.208 157 HG21 THR 22 HG21 THR 22 -1.393 -7.535 -4.025 158 HG22 THR 22 HG22 THR 22 -2.645 -6.343 -4.377 159 HG23 THR 22 HG23 THR 22 -0.940 -5.917 -4.564 160 H SER 23 H SER 23 -3.946 -6.794 -8.679 161 HA SER 23 HA SER 23 -2.211 -7.854 -10.792 162 HB2 SER 23 HB3 SER 23 -4.112 -9.225 -10.061 163 HB3 SER 23 HB2 SER 23 -5.238 -7.937 -10.480 164 HG SER 23 HG SER 23 -3.496 -8.960 -12.446 165 H VAL 24 H VAL 24 -4.532 -5.187 -10.351 166 HA VAL 24 HA VAL 24 -4.506 -4.446 -13.190 167 HB VAL 24 HB VAL 24 -5.949 -3.124 -10.839 168 HG11 VAL 24 HG11 VAL 24 -7.309 -1.933 -12.546 169 HG12 VAL 24 HG12 VAL 24 -6.300 -2.611 -13.826 170 HG13 VAL 24 HG13 VAL 24 -5.605 -1.492 -12.653 171 HG21 VAL 24 HG21 VAL 24 -6.758 -5.417 -11.277 172 HG22 VAL 24 HG22 VAL 24 -7.029 -5.018 -12.975 173 HG23 VAL 24 HG23 VAL 24 -7.988 -4.230 -11.718 174 H ILE 25 H ILE 25 -3.238 -3.141 -10.129 175 HA ILE 25 HA ILE 25 -2.235 -0.690 -11.309 176 HB ILE 25 HB ILE 25 -1.661 -1.910 -8.568 177 HG12 ILE 25 HG12 ILE 25 -3.572 0.353 -9.323 178 HG13 ILE 25 HG11 ILE 25 -4.069 -1.306 -9.009 179 HG21 ILE 25 HG21 ILE 25 -0.850 0.351 -7.905 180 HG22 ILE 25 HG22 ILE 25 -1.046 0.906 -9.569 181 HG23 ILE 25 HG23 ILE 25 0.142 -0.342 -9.190 182 HD11 ILE 25 HD11 ILE 25 -2.789 0.560 -7.021 183 HD12 ILE 25 HD12 ILE 25 -3.291 -1.105 -6.706 184 HD13 ILE 25 HD13 ILE 25 -4.493 0.120 -7.112 185 H ASP 26 H ASP 26 -0.522 -0.686 -12.606 186 HA ASP 26 HA ASP 26 1.713 -2.537 -12.335 187 HB2 ASP 26 HB3 ASP 26 0.788 -1.632 -14.558 188 HB3 ASP 26 HB2 ASP 26 1.515 -0.086 -14.149 189 HA PRO 27 HA PRO 27 3.396 0.489 -9.313 190 HB2 PRO 27 HB3 PRO 27 5.379 -1.043 -8.270 191 HB3 PRO 27 HB2 PRO 27 3.677 -1.364 -7.907 192 HG2 PRO 27 HG3 PRO 27 5.467 -2.713 -9.933 193 HG3 PRO 27 HG2 PRO 27 4.359 -3.455 -8.757 194 HD2 PRO 27 HD3 PRO 27 3.687 -3.067 -11.389 195 HD3 PRO 27 HD2 PRO 27 2.484 -3.053 -10.081 196 H SER 28 H SER 28 5.136 -1.075 -11.926 197 HA SER 28 HA SER 28 7.605 0.394 -11.736 198 HB2 SER 28 HB3 SER 28 6.500 -1.270 -14.047 199 HB3 SER 28 HB2 SER 28 8.180 -0.759 -13.846 200 HG SER 28 HG SER 28 7.950 -2.875 -13.124 201 H ARG 29 H ARG 29 4.535 0.828 -13.399 202 HA ARG 29 HA ARG 29 5.179 2.932 -15.167 203 HB2 ARG 29 HB3 ARG 29 2.619 2.155 -13.726 204 HB3 ARG 29 HB2 ARG 29 2.670 3.616 -14.700 205 HG2 ARG 29 HG3 ARG 29 3.227 0.821 -15.746 206 HG3 ARG 29 HG2 ARG 29 1.689 1.677 -15.888 207 HD2 ARG 29 HD3 ARG 29 2.762 1.990 -17.975 208 HD3 ARG 29 HD2 ARG 29 2.991 3.515 -17.109 209 HE ARG 29 HE ARG 29 5.149 1.578 -16.889 210 HH11 ARG 29 HH11 ARG 29 3.997 4.333 -18.636 211 HH12 ARG 29 HH12 ARG 29 5.580 4.778 -19.155 212 HH21 ARG 29 HH21 ARG 29 7.147 2.204 -17.520 213 HH22 ARG 29 HH22 ARG 29 7.340 3.597 -18.526 214 H ILE 30 H ILE 30 4.190 2.966 -11.768 215 HA ILE 30 HA ILE 30 4.235 5.901 -11.724 216 HB ILE 30 HB ILE 30 2.972 5.726 -9.603 217 HG12 ILE 30 HG12 ILE 30 3.089 2.684 -9.985 218 HG13 ILE 30 HG11 ILE 30 3.988 3.577 -8.765 219 HG21 ILE 30 HG21 ILE 30 0.868 4.793 -10.522 220 HG22 ILE 30 HG22 ILE 30 1.774 4.010 -11.818 221 HG23 ILE 30 HG23 ILE 30 1.719 5.770 -11.722 222 HD11 ILE 30 HD11 ILE 30 0.992 3.295 -8.940 223 HD12 ILE 30 HD12 ILE 30 1.845 4.301 -7.762 224 HD13 ILE 30 HD13 ILE 30 2.074 2.548 -7.762 225 H THR 31 H THR 31 6.699 3.892 -11.392 226 HA THR 31 HA THR 31 7.747 4.207 -8.808 227 HB THR 31 HB THR 31 10.093 3.931 -9.929 228 HG1 THR 31 HG1 THR 31 10.178 3.710 -12.032 229 HG21 THR 31 HG21 THR 31 7.985 1.795 -10.350 230 HG22 THR 31 HG22 THR 31 8.902 2.069 -8.869 231 HG23 THR 31 HG23 THR 31 9.732 1.533 -10.331 232 HA PRO 32 HA PRO 32 10.025 8.360 -10.112 233 HB2 PRO 32 HB3 PRO 32 8.928 9.855 -12.151 234 HB3 PRO 32 HB2 PRO 32 10.233 8.686 -12.403 235 HG2 PRO 32 HG3 PRO 32 7.264 8.325 -12.824 236 HG3 PRO 32 HG2 PRO 32 8.607 7.868 -13.897 237 HD2 PRO 32 HD3 PRO 32 7.405 6.042 -12.309 238 HD3 PRO 32 HD2 PRO 32 9.152 5.977 -12.624 239 H TYR 33 H TYR 33 6.540 7.954 -10.401 240 HA TYR 33 HA TYR 33 5.745 10.454 -9.274 241 HB2 TYR 33 HB2 TYR 33 4.243 9.037 -10.709 242 HB3 TYR 33 HB1 TYR 33 4.158 7.846 -9.410 243 HD1 TYR 33 HD1 TYR 33 2.420 8.060 -7.767 244 HD2 TYR 33 HD2 TYR 33 3.568 11.464 -10.098 245 HE1 TYR 33 HE1 TYR 33 0.657 9.418 -6.699 246 HE2 TYR 33 HE2 TYR 33 1.811 12.790 -9.043 247 HH TYR 33 HH TYR 33 0.310 11.915 -6.264 248 H LEU 34 H LEU 34 6.257 7.205 -7.930 249 HA LEU 34 HA LEU 34 5.466 7.854 -5.243 250 HB2 LEU 34 HB3 LEU 34 7.058 5.498 -6.317 251 HB3 LEU 34 HB2 LEU 34 6.442 5.625 -4.677 252 HG LEU 34 HG LEU 34 4.773 5.381 -7.210 253 HD11 LEU 34 HD11 LEU 34 5.867 3.290 -6.575 254 HD12 LEU 34 HD12 LEU 34 4.126 3.182 -6.332 255 HD13 LEU 34 HD13 LEU 34 5.196 3.405 -4.944 256 HD21 LEU 34 HD21 LEU 34 2.791 5.284 -5.752 257 HD22 LEU 34 HD22 LEU 34 3.616 6.831 -5.596 258 HD23 LEU 34 HD23 LEU 34 3.799 5.608 -4.337 259 H ARG 35 H ARG 35 8.564 7.753 -6.990 260 HA ARG 35 HA ARG 35 10.348 8.442 -4.911 261 HB2 ARG 35 HB3 ARG 35 10.357 9.125 -7.876 262 HB3 ARG 35 HB2 ARG 35 11.673 9.593 -6.806 263 HG2 ARG 35 HG3 ARG 35 10.798 6.732 -7.292 264 HG3 ARG 35 HG2 ARG 35 12.120 7.542 -8.138 265 HD2 ARG 35 HD3 ARG 35 13.050 7.982 -5.713 266 HD3 ARG 35 HD2 ARG 35 11.963 6.666 -5.251 267 HE ARG 35 HE ARG 35 13.176 5.379 -7.092 268 HH11 ARG 35 HH11 ARG 35 14.773 7.663 -5.030 269 HH12 ARG 35 HH12 ARG 35 16.341 7.038 -5.400 270 HH21 ARG 35 HH21 ARG 35 15.188 4.620 -7.540 271 HH22 ARG 35 HH22 ARG 35 16.566 5.328 -6.777 272 H GLN 36 H GLN 36 8.492 10.551 -7.128 273 HA GLN 36 HA GLN 36 9.170 13.081 -6.218 274 HB2 GLN 36 HB3 GLN 36 7.893 12.714 -8.255 275 HB3 GLN 36 HB2 GLN 36 6.551 12.032 -7.358 276 HG2 GLN 36 HG3 GLN 36 7.313 14.896 -6.820 277 HG3 GLN 36 HG2 GLN 36 6.488 14.523 -8.327 278 HE21 GLN 36 HE21 GLN 36 4.350 13.618 -8.206 279 HE22 GLN 36 HE22 GLN 36 3.360 13.876 -6.814 280 H CYS 37 H CYS 37 6.476 11.034 -5.058 281 HA CYS 37 HA CYS 37 5.677 12.805 -2.939 282 HB2 CYS 37 HB3 CYS 37 4.126 11.188 -4.057 283 HB3 CYS 37 HB2 CYS 37 4.993 9.860 -3.295 284 HG CYS 37 HG CYS 37 3.451 12.308 -1.473 285 H LYS 38 H LYS 38 8.371 10.804 -3.196 286 HA LYS 38 HA LYS 38 10.003 10.082 -1.827 287 HB2 LYS 38 HB3 LYS 38 8.704 11.965 0.178 288 HB3 LYS 38 HB2 LYS 38 10.255 11.176 0.446 289 HG2 LYS 38 HG3 LYS 38 9.621 13.148 -1.781 290 HG3 LYS 38 HG2 LYS 38 10.531 13.505 -0.309 291 HD2 LYS 38 HD3 LYS 38 11.362 11.552 -2.498 292 HD3 LYS 38 HD2 LYS 38 12.020 13.172 -2.260 293 HE2 LYS 38 HE3 LYS 38 12.984 12.498 -0.106 294 HE3 LYS 38 HE2 LYS 38 12.238 10.903 -0.244 295 HZ1 LYS 38 HZ1 LYS 38 14.570 10.869 -0.873 296 HZ2 LYS 38 HZ2 LYS 38 14.280 11.997 -2.097 297 HZ3 LYS 38 HZ3 LYS 38 13.585 10.461 -2.183 298 H VAL 39 H VAL 39 7.321 8.692 -1.828 299 HA VAL 39 HA VAL 39 7.322 7.294 0.748 300 HB VAL 39 HB VAL 39 5.292 6.167 -0.013 301 HG11 VAL 39 HG11 VAL 39 5.053 8.397 0.988 302 HG12 VAL 39 HG12 VAL 39 3.806 8.135 -0.231 303 HG13 VAL 39 HG13 VAL 39 5.200 9.154 -0.601 304 HG21 VAL 39 HG21 VAL 39 5.824 5.840 -2.396 305 HG22 VAL 39 HG22 VAL 39 5.688 7.573 -2.690 306 HG23 VAL 39 HG23 VAL 39 4.261 6.643 -2.229 307 H LEU 40 H LEU 40 8.488 6.815 -2.510 308 HA LEU 40 HA LEU 40 9.128 3.964 -2.003 309 HB2 LEU 40 HB3 LEU 40 7.978 4.696 -4.162 310 HB3 LEU 40 HB2 LEU 40 9.458 5.530 -4.592 311 HG LEU 40 HG LEU 40 10.623 3.221 -4.383 312 HD11 LEU 40 HD11 LEU 40 8.852 2.057 -3.158 313 HD12 LEU 40 HD12 LEU 40 9.218 1.242 -4.676 314 HD13 LEU 40 HD13 LEU 40 7.761 2.230 -4.537 315 HD21 LEU 40 HD21 LEU 40 10.231 4.293 -6.553 316 HD22 LEU 40 HD22 LEU 40 8.603 3.610 -6.617 317 HD23 LEU 40 HD23 LEU 40 10.015 2.546 -6.656 318 H ASN 41 H ASN 41 11.110 3.585 -1.168 319 HA ASN 41 HA ASN 41 13.358 5.404 -1.509 320 HB2 ASN 41 HB3 ASN 41 13.149 2.660 -0.178 321 HB3 ASN 41 HB2 ASN 41 14.606 3.659 -0.166 322 HD21 ASN 41 HD21 ASN 41 11.346 3.338 1.028 323 HD22 ASN 41 HD22 ASN 41 11.471 4.525 2.274 324 HA PRO 42 HA PRO 42 15.342 3.508 -5.135 325 HB2 PRO 42 HB3 PRO 42 17.978 3.205 -4.193 326 HB3 PRO 42 HB2 PRO 42 17.314 4.682 -4.902 327 HG2 PRO 42 HG3 PRO 42 17.579 3.924 -1.993 328 HG3 PRO 42 HG2 PRO 42 17.940 5.477 -2.783 329 HD2 PRO 42 HD3 PRO 42 15.674 5.181 -1.414 330 HD3 PRO 42 HD2 PRO 42 15.653 6.049 -2.968 331 H ASP 43 H ASP 43 15.946 2.070 -1.968 332 HA ASP 43 HA ASP 43 16.721 -0.547 -2.670 333 HB2 ASP 43 HB3 ASP 43 15.099 0.290 -0.226 334 HB3 ASP 43 HB2 ASP 43 16.176 -1.101 -0.358 335 H ASP 44 H ASP 44 13.515 0.806 -1.916 336 HA ASP 44 HA ASP 44 11.927 -1.507 -2.310 337 HB2 ASP 44 HB3 ASP 44 11.159 1.428 -2.593 338 HB3 ASP 44 HB2 ASP 44 10.023 0.100 -2.380 339 H GLU 45 H GLU 45 13.009 1.048 -4.472 340 HA GLU 45 HA GLU 45 11.436 0.381 -6.736 341 HB2 GLU 45 HB3 GLU 45 12.529 2.604 -6.349 342 HB3 GLU 45 HB2 GLU 45 14.097 1.861 -6.660 343 HG2 GLU 45 HG3 GLU 45 13.428 1.343 -8.955 344 HG3 GLU 45 HG2 GLU 45 11.813 1.980 -8.653 345 H GLU 46 H GLU 46 14.622 -0.770 -5.609 346 HA GLU 46 HA GLU 46 15.389 -2.315 -7.841 347 HB2 GLU 46 HB3 GLU 46 15.815 -2.997 -4.895 348 HB3 GLU 46 HB2 GLU 46 16.680 -3.723 -6.246 349 HG2 GLU 46 HG3 GLU 46 16.835 -0.839 -5.331 350 HG3 GLU 46 HG2 GLU 46 18.065 -2.079 -5.120 351 H GLN 47 H GLN 47 13.229 -3.070 -5.125 352 HA GLN 47 HA GLN 47 12.672 -5.782 -5.776 353 HB2 GLN 47 HB3 GLN 47 12.247 -4.856 -3.519 354 HB3 GLN 47 HB2 GLN 47 11.008 -3.792 -4.176 355 HG2 GLN 47 HG3 GLN 47 9.708 -5.842 -4.861 356 HG3 GLN 47 HG2 GLN 47 10.908 -6.823 -4.025 357 HE21 GLN 47 HE21 GLN 47 8.256 -4.603 -3.650 358 HE22 GLN 47 HE22 GLN 47 8.029 -4.848 -1.960 359 H VAL 48 H VAL 48 10.828 -2.770 -6.360 360 HA VAL 48 HA VAL 48 8.642 -3.812 -7.775 361 HB VAL 48 HB VAL 48 9.961 -1.068 -7.984 362 HG11 VAL 48 HG11 VAL 48 8.625 -1.412 -9.999 363 HG12 VAL 48 HG12 VAL 48 7.811 -0.257 -8.945 364 HG13 VAL 48 HG13 VAL 48 7.238 -1.925 -9.034 365 HG21 VAL 48 HG21 VAL 48 9.116 -1.610 -5.724 366 HG22 VAL 48 HG22 VAL 48 7.521 -1.968 -6.390 367 HG23 VAL 48 HG23 VAL 48 8.158 -0.323 -6.460 368 H LEU 49 H LEU 49 11.685 -2.471 -9.108 369 HA LEU 49 HA LEU 49 10.950 -3.115 -11.859 370 HB2 LEU 49 HB3 LEU 49 13.474 -1.830 -10.754 371 HB3 LEU 49 HB2 LEU 49 13.046 -1.948 -12.454 372 HG LEU 49 HG LEU 49 11.649 -0.270 -10.332 373 HD11 LEU 49 HD11 LEU 49 13.176 0.554 -12.828 374 HD12 LEU 49 HD12 LEU 49 13.725 0.723 -11.159 375 HD13 LEU 49 HD13 LEU 49 12.333 1.644 -11.720 376 HD21 LEU 49 HD21 LEU 49 10.837 -0.650 -13.237 377 HD22 LEU 49 HD22 LEU 49 10.133 0.514 -12.110 378 HD23 LEU 49 HD23 LEU 49 9.947 -1.214 -11.816 379 H SER 50 H SER 50 11.840 -5.199 -9.663 380 HA SER 50 HA SER 50 14.103 -6.562 -10.736 381 HB2 SER 50 HB3 SER 50 13.319 -6.971 -8.438 382 HB3 SER 50 HB2 SER 50 11.808 -7.634 -9.045 383 HG SER 50 HG SER 50 13.974 -8.904 -10.117 384 H ASP 51 H ASP 51 10.680 -6.563 -11.616 385 HA ASP 51 HA ASP 51 10.825 -8.886 -13.336 386 HB2 ASP 51 HB3 ASP 51 8.697 -6.746 -12.997 387 HB3 ASP 51 HB2 ASP 51 8.558 -8.040 -14.185 388 HA PRO 52 HA PRO 52 12.089 -6.463 -17.041 389 HB2 PRO 52 HB3 PRO 52 12.622 -9.041 -18.335 390 HB3 PRO 52 HB2 PRO 52 13.777 -7.797 -17.854 391 HG2 PRO 52 HG3 PRO 52 13.639 -10.257 -16.641 392 HG3 PRO 52 HG2 PRO 52 14.207 -8.791 -15.814 393 HD2 PRO 52 HD3 PRO 52 11.476 -10.083 -15.707 394 HD3 PRO 52 HD2 PRO 52 12.476 -9.445 -14.376 395 H ASN 53 H ASN 53 9.768 -9.008 -16.551 396 HA ASN 53 HA ASN 53 8.412 -8.555 -19.148 397 HB2 ASN 53 HB3 ASN 53 8.233 -10.940 -17.254 398 HB3 ASN 53 HB2 ASN 53 7.384 -10.796 -18.792 399 HD21 ASN 53 HD21 ASN 53 9.461 -12.716 -17.805 400 HD22 ASN 53 HD22 ASN 53 10.692 -12.695 -19.013 401 H LEU 54 H LEU 54 8.076 -8.145 -15.748 402 HA LEU 54 HA LEU 54 6.553 -7.237 -14.379 403 HB2 LEU 54 HB3 LEU 54 5.491 -6.091 -16.974 404 HB3 LEU 54 HB2 LEU 54 4.798 -5.681 -15.416 405 HG LEU 54 HG LEU 54 7.102 -4.833 -14.714 406 HD11 LEU 54 HD11 LEU 54 8.499 -5.962 -16.356 407 HD12 LEU 54 HD12 LEU 54 8.715 -4.217 -16.454 408 HD13 LEU 54 HD13 LEU 54 7.740 -5.053 -17.666 409 HD21 LEU 54 HD21 LEU 54 6.861 -2.675 -15.846 410 HD22 LEU 54 HD22 LEU 54 5.299 -3.301 -15.325 411 HD23 LEU 54 HD23 LEU 54 5.763 -3.403 -17.026 412 H VAL 55 H VAL 55 6.145 -9.874 -14.914 413 HA VAL 55 HA VAL 55 3.264 -10.379 -15.103 414 HB VAL 55 HB VAL 55 5.590 -12.323 -14.694 415 HG11 VAL 55 HG11 VAL 55 2.684 -12.930 -15.371 416 HG12 VAL 55 HG12 VAL 55 3.496 -13.281 -13.843 417 HG13 VAL 55 HG13 VAL 55 3.996 -14.113 -15.314 418 HG21 VAL 55 HG21 VAL 55 5.326 -12.895 -17.090 419 HG22 VAL 55 HG22 VAL 55 5.739 -11.192 -16.883 420 HG23 VAL 55 HG23 VAL 55 4.077 -11.655 -17.256 421 H ILE 56 H ILE 56 5.840 -10.264 -12.663 422 HA ILE 56 HA ILE 56 4.232 -11.659 -10.631 423 HB ILE 56 HB ILE 56 7.016 -10.535 -10.130 424 HG12 ILE 56 HG12 ILE 56 7.286 -11.776 -12.214 425 HG13 ILE 56 HG11 ILE 56 8.015 -12.695 -10.906 426 HG21 ILE 56 HG21 ILE 56 7.242 -12.441 -8.568 427 HG22 ILE 56 HG22 ILE 56 5.615 -12.986 -8.983 428 HG23 ILE 56 HG23 ILE 56 5.846 -11.439 -8.167 429 HD11 ILE 56 HD11 ILE 56 5.372 -13.247 -12.241 430 HD12 ILE 56 HD12 ILE 56 6.038 -14.166 -10.886 431 HD13 ILE 56 HD13 ILE 56 6.877 -14.143 -12.436 432 H ARG 57 H ARG 57 3.939 -8.673 -11.677 433 HA ARG 57 HA ARG 57 4.126 -6.845 -9.573 434 HB2 ARG 57 HB3 ARG 57 1.807 -7.018 -11.541 435 HB3 ARG 57 HB2 ARG 57 2.314 -5.587 -10.645 436 HG2 ARG 57 HG3 ARG 57 4.398 -5.493 -11.938 437 HG3 ARG 57 HG2 ARG 57 3.950 -6.977 -12.794 438 HD2 ARG 57 HD3 ARG 57 2.586 -4.263 -12.944 439 HD3 ARG 57 HD2 ARG 57 3.406 -5.136 -14.245 440 HE ARG 57 HE ARG 57 1.386 -6.814 -13.442 441 HH11 ARG 57 HH11 ARG 57 1.493 -3.671 -14.877 442 HH12 ARG 57 HH12 ARG 57 -0.149 -3.757 -15.400 443 HH21 ARG 57 HH21 ARG 57 -0.709 -6.859 -14.106 444 HH22 ARG 57 HH22 ARG 57 -1.368 -5.512 -14.962 445 H LYS 58 H LYS 58 1.791 -9.393 -10.110 446 HA LYS 58 HA LYS 58 -0.259 -8.703 -8.326 447 HB2 LYS 58 HB3 LYS 58 0.651 -11.498 -9.113 448 HB3 LYS 58 HB2 LYS 58 -0.930 -11.063 -8.459 449 HG2 LYS 58 HG3 LYS 58 -1.329 -9.649 -10.493 450 HG3 LYS 58 HG2 LYS 58 0.212 -10.210 -11.144 451 HD2 LYS 58 HD3 LYS 58 -1.600 -11.506 -12.133 452 HD3 LYS 58 HD2 LYS 58 -0.635 -12.552 -11.087 453 HE2 LYS 58 HE3 LYS 58 -2.342 -12.279 -9.287 454 HE3 LYS 58 HE2 LYS 58 -3.313 -11.292 -10.383 455 HZ1 LYS 58 HZ1 LYS 58 -3.444 -13.212 -11.872 456 HZ2 LYS 58 HZ2 LYS 58 -4.115 -13.527 -10.354 457 HZ3 LYS 58 HZ3 LYS 58 -2.593 -14.144 -10.746 458 H ARG 59 H ARG 59 2.845 -10.244 -7.692 459 HA ARG 59 HA ARG 59 2.250 -10.539 -4.826 460 HB2 ARG 59 HB3 ARG 59 4.715 -11.215 -6.479 461 HB3 ARG 59 HB2 ARG 59 4.635 -11.403 -4.724 462 HG2 ARG 59 HG3 ARG 59 2.756 -12.991 -4.990 463 HG3 ARG 59 HG2 ARG 59 2.874 -12.834 -6.745 464 HD2 ARG 59 HD3 ARG 59 3.991 -14.884 -5.932 465 HD3 ARG 59 HD2 ARG 59 5.136 -13.781 -6.701 466 HE ARG 59 HE ARG 59 5.471 -13.063 -4.178 467 HH11 ARG 59 HH11 ARG 59 5.205 -16.299 -5.383 468 HH12 ARG 59 HH12 ARG 59 6.233 -16.936 -4.153 469 HH21 ARG 59 HH21 ARG 59 6.782 -13.913 -2.648 470 HH22 ARG 59 HH22 ARG 59 7.111 -15.610 -2.623 471 H LYS 60 H LYS 60 4.331 -8.616 -6.999 472 HA LYS 60 HA LYS 60 5.920 -7.402 -5.018 473 HB2 LYS 60 HB3 LYS 60 5.372 -6.620 -7.893 474 HB3 LYS 60 HB2 LYS 60 6.484 -5.706 -6.870 475 HG2 LYS 60 HG3 LYS 60 7.814 -7.770 -6.508 476 HG3 LYS 60 HG2 LYS 60 6.737 -8.639 -7.609 477 HD2 LYS 60 HD3 LYS 60 7.415 -7.228 -9.467 478 HD3 LYS 60 HD2 LYS 60 8.356 -6.183 -8.395 479 HE2 LYS 60 HE3 LYS 60 9.805 -7.711 -9.655 480 HE3 LYS 60 HE2 LYS 60 9.894 -8.043 -7.923 481 HZ1 LYS 60 HZ1 LYS 60 8.316 -9.568 -9.922 482 HZ2 LYS 60 HZ2 LYS 60 8.349 -9.887 -8.261 483 HZ3 LYS 60 HZ3 LYS 60 9.751 -10.074 -9.187 484 H VAL 61 H VAL 61 2.954 -6.123 -6.582 485 HA VAL 61 HA VAL 61 2.931 -3.605 -5.282 486 HB VAL 61 HB VAL 61 0.503 -5.191 -6.240 487 HG11 VAL 61 HG11 VAL 61 -0.667 -2.994 -6.369 488 HG12 VAL 61 HG12 VAL 61 0.741 -2.210 -5.645 489 HG13 VAL 61 HG13 VAL 61 -0.186 -3.389 -4.717 490 HG21 VAL 61 HG21 VAL 61 2.089 -4.835 -8.074 491 HG22 VAL 61 HG22 VAL 61 2.130 -3.105 -7.733 492 HG23 VAL 61 HG23 VAL 61 0.641 -3.854 -8.316 493 H GLY 62 H GLY 62 1.579 -6.776 -4.382 494 HA2 GLY 62 HA3 GLY 62 0.209 -6.086 -2.020 495 HA3 GLY 62 HA2 GLY 62 0.874 -7.670 -2.390 496 H VAL 63 H VAL 63 3.559 -7.220 -2.432 497 HA VAL 63 HA VAL 63 4.364 -6.945 0.290 498 HB VAL 63 HB VAL 63 6.089 -6.932 -2.234 499 HG11 VAL 63 HG11 VAL 63 7.341 -6.059 -0.309 500 HG12 VAL 63 HG12 VAL 63 7.947 -7.653 -0.757 501 HG13 VAL 63 HG13 VAL 63 6.899 -7.474 0.653 502 HG21 VAL 63 HG21 VAL 63 5.291 -9.280 -0.458 503 HG22 VAL 63 HG22 VAL 63 6.402 -9.357 -1.829 504 HG23 VAL 63 HG23 VAL 63 4.704 -8.967 -2.094 505 H LEU 64 H LEU 64 4.305 -4.738 -2.475 506 HA LEU 64 HA LEU 64 5.964 -2.680 -1.452 507 HB2 LEU 64 HB3 LEU 64 5.433 -2.896 -3.859 508 HB3 LEU 64 HB2 LEU 64 3.757 -2.491 -3.532 509 HG LEU 64 HG LEU 64 4.451 -0.209 -2.800 510 HD11 LEU 64 HD11 LEU 64 6.702 -0.682 -1.990 511 HD12 LEU 64 HD12 LEU 64 6.733 0.602 -3.192 512 HD13 LEU 64 HD13 LEU 64 7.251 -1.026 -3.635 513 HD21 LEU 64 HD21 LEU 64 5.003 0.690 -5.026 514 HD22 LEU 64 HD22 LEU 64 3.755 -0.550 -5.128 515 HD23 LEU 64 HD23 LEU 64 5.415 -0.933 -5.591 516 H LEU 65 H LEU 65 2.403 -3.105 -1.336 517 HA LEU 65 HA LEU 65 1.663 -0.740 -0.003 518 HB2 LEU 65 HB3 LEU 65 0.444 -3.524 0.304 519 HB3 LEU 65 HB2 LEU 65 -0.334 -2.025 0.787 520 HG LEU 65 HG LEU 65 0.298 -2.880 -2.064 521 HD11 LEU 65 HD11 LEU 65 -1.576 -4.130 -1.134 522 HD12 LEU 65 HD12 LEU 65 -2.131 -3.015 -2.381 523 HD13 LEU 65 HD13 LEU 65 -2.386 -2.627 -0.677 524 HD21 LEU 65 HD21 LEU 65 0.534 -0.457 -1.878 525 HD22 LEU 65 HD22 LEU 65 -1.063 -0.335 -1.131 526 HD23 LEU 65 HD23 LEU 65 -0.905 -0.873 -2.805 527 H ASP 66 H ASP 66 2.604 -3.895 1.226 528 HA ASP 66 HA ASP 66 2.549 -3.426 4.001 529 HB2 ASP 66 HB3 ASP 66 2.511 -5.660 3.002 530 HB3 ASP 66 HB2 ASP 66 4.119 -5.422 2.324 531 H ILE 67 H ILE 67 5.068 -2.712 1.596 532 HA ILE 67 HA ILE 67 7.061 -1.938 3.550 533 HB ILE 67 HB ILE 67 6.887 -1.168 0.593 534 HG12 ILE 67 HG12 ILE 67 8.549 -3.356 1.941 535 HG13 ILE 67 HG11 ILE 67 7.147 -3.629 0.917 536 HG21 ILE 67 HG21 ILE 67 8.264 0.415 1.885 537 HG22 ILE 67 HG22 ILE 67 9.266 -0.541 0.802 538 HG23 ILE 67 HG23 ILE 67 9.227 -0.919 2.525 539 HD11 ILE 67 HD11 ILE 67 9.771 -2.426 0.033 540 HD12 ILE 67 HD12 ILE 67 8.364 -2.712 -0.996 541 HD13 ILE 67 HD13 ILE 67 9.213 -4.072 -0.265 542 H LEU 68 H LEU 68 4.682 -0.222 1.517 543 HA LEU 68 HA LEU 68 5.469 2.419 2.052 544 HB2 LEU 68 HB3 LEU 68 2.796 1.320 1.131 545 HB3 LEU 68 HB2 LEU 68 3.155 3.037 1.200 546 HG LEU 68 HG LEU 68 4.547 1.006 -0.589 547 HD11 LEU 68 HD11 LEU 68 2.568 3.187 -1.311 548 HD12 LEU 68 HD12 LEU 68 2.255 1.450 -1.310 549 HD13 LEU 68 HD13 LEU 68 3.413 2.130 -2.448 550 HD21 LEU 68 HD21 LEU 68 6.114 2.777 0.058 551 HD22 LEU 68 HD22 LEU 68 4.961 4.013 -0.451 552 HD23 LEU 68 HD23 LEU 68 5.674 2.922 -1.642 553 H GLN 69 H GLN 69 3.334 0.245 3.859 554 HA GLN 69 HA GLN 69 1.927 2.027 5.443 555 HB2 GLN 69 HB3 GLN 69 1.568 0.274 7.028 556 HB3 GLN 69 HB2 GLN 69 1.614 -0.437 5.425 557 HG2 GLN 69 HG3 GLN 69 4.014 -1.126 5.943 558 HG3 GLN 69 HG2 GLN 69 3.699 -0.643 7.612 559 HE21 GLN 69 HE21 GLN 69 3.801 -2.711 8.498 560 HE22 GLN 69 HE22 GLN 69 2.654 -3.951 8.153 561 H ARG 70 H ARG 70 5.319 1.070 5.906 562 HA ARG 70 HA ARG 70 5.648 2.195 8.508 563 HB2 ARG 70 HB3 ARG 70 8.006 1.795 8.298 564 HB3 ARG 70 HB2 ARG 70 7.186 0.443 7.528 565 HG2 ARG 70 HG3 ARG 70 7.693 1.361 5.316 566 HG3 ARG 70 HG2 ARG 70 8.419 2.790 6.040 567 HD2 ARG 70 HD3 ARG 70 10.139 1.206 5.272 568 HD3 ARG 70 HD2 ARG 70 10.200 1.413 7.024 569 HE ARG 70 HE ARG 70 8.607 -0.826 6.462 570 HH11 ARG 70 HH11 ARG 70 11.941 0.080 6.147 571 HH12 ARG 70 HH12 ARG 70 12.493 -1.543 6.357 572 HH21 ARG 70 HH21 ARG 70 9.368 -2.878 6.727 573 HH22 ARG 70 HH22 ARG 70 11.066 -3.185 6.664 574 H THR 71 H THR 71 5.434 3.741 5.405 575 HA THR 71 HA THR 71 7.007 6.089 6.069 576 HB THR 71 HB THR 71 6.143 7.143 4.051 577 HG1 THR 71 HG1 THR 71 4.486 5.153 3.180 578 HG21 THR 71 HG21 THR 71 6.583 4.184 3.497 579 HG22 THR 71 HG22 THR 71 7.848 5.404 3.650 580 HG23 THR 71 HG23 THR 71 6.705 5.487 2.309 581 H GLY 72 H GLY 72 4.024 4.965 7.203 582 HA2 GLY 72 HA3 GLY 72 2.668 5.927 8.811 583 HA3 GLY 72 HA2 GLY 72 3.582 7.421 8.678 584 H HIS 73 H HIS 73 1.513 5.457 6.563 585 HA HIS 73 HA HIS 73 -0.419 5.783 5.490 586 HB2 HIS 73 HB2 HIS 73 -1.043 7.054 7.658 587 HB3 HIS 73 HB1 HIS 73 -0.815 8.525 6.727 588 HD2 HIS 73 HD2 HIS 73 -2.937 9.185 5.047 589 HE1 HIS 73 HE1 HIS 73 -5.240 5.742 5.907 590 HE2 HIS 73 HE2 HIS 73 -5.273 8.077 4.936 591 H LYS 74 H LYS 74 2.121 8.107 5.099 592 HA LYS 74 HA LYS 74 1.201 9.635 2.947 593 HB2 LYS 74 HB3 LYS 74 3.974 8.740 3.751 594 HB3 LYS 74 HB2 LYS 74 3.739 9.622 2.248 595 HG2 LYS 74 HG3 LYS 74 2.461 11.336 3.866 596 HG3 LYS 74 HG2 LYS 74 3.495 10.581 5.082 597 HD2 LYS 74 HD3 LYS 74 4.552 12.613 4.135 598 HD3 LYS 74 HD2 LYS 74 5.501 11.168 3.773 599 HE2 LYS 74 HE3 LYS 74 4.549 11.103 1.491 600 HE3 LYS 74 HE2 LYS 74 3.563 12.519 1.849 601 HZ1 LYS 74 HZ1 LYS 74 6.527 12.456 1.814 602 HZ2 LYS 74 HZ2 LYS 74 5.566 13.815 2.103 603 HZ3 LYS 74 HZ3 LYS 74 5.542 13.069 0.585 604 H GLY 75 H GLY 75 2.635 6.383 2.931 605 HA2 GLY 75 HA3 GLY 75 2.777 5.912 0.168 606 HA3 GLY 75 HA2 GLY 75 2.514 4.679 1.390 607 H TYR 76 H TYR 76 0.014 5.620 2.376 608 HA TYR 76 HA TYR 76 -1.830 4.466 0.511 609 HB2 TYR 76 HB2 TYR 76 -2.054 4.222 2.978 610 HB3 TYR 76 HB1 TYR 76 -2.360 5.947 3.128 611 HD1 TYR 76 HD1 TYR 76 -4.577 6.833 2.753 612 HD2 TYR 76 HD2 TYR 76 -3.762 2.746 1.820 613 HE1 TYR 76 HE1 TYR 76 -6.981 6.422 2.474 614 HE2 TYR 76 HE2 TYR 76 -6.173 2.338 1.545 615 HH TYR 76 HH TYR 76 -8.320 3.326 2.313 616 H VAL 77 H VAL 77 -1.163 7.770 1.609 617 HA VAL 77 HA VAL 77 -3.105 9.207 0.180 618 HB VAL 77 HB VAL 77 -0.243 10.030 0.888 619 HG11 VAL 77 HG11 VAL 77 -0.993 12.376 0.633 620 HG12 VAL 77 HG12 VAL 77 -2.569 11.817 0.067 621 HG13 VAL 77 HG13 VAL 77 -1.123 11.492 -0.889 622 HG21 VAL 77 HG21 VAL 77 -1.583 9.424 2.868 623 HG22 VAL 77 HG22 VAL 77 -2.854 10.544 2.378 624 HG23 VAL 77 HG23 VAL 77 -1.267 11.161 2.848 625 H ALA 78 H ALA 78 0.283 8.514 -0.759 626 HA ALA 78 HA ALA 78 0.214 9.415 -3.421 627 HB1 ALA 78 HB1 ALA 78 2.310 8.166 -3.707 628 HB2 ALA 78 HB2 ALA 78 2.004 7.287 -2.205 629 HB3 ALA 78 HB3 ALA 78 2.297 9.024 -2.164 630 H PHE 79 H PHE 79 -0.645 6.289 -2.029 631 HA PHE 79 HA PHE 79 -1.003 4.741 -4.354 632 HB2 PHE 79 HB2 PHE 79 -1.001 3.785 -2.079 633 HB3 PHE 79 HB1 PHE 79 -2.475 4.653 -1.683 634 HD1 PHE 79 HD1 PHE 79 -4.623 3.696 -2.176 635 HD2 PHE 79 HD2 PHE 79 -1.082 1.942 -3.818 636 HE1 PHE 79 HE1 PHE 79 -5.927 1.749 -2.930 637 HE2 PHE 79 HE2 PHE 79 -2.397 0.007 -4.563 638 HZ PHE 79 HZ PHE 79 -4.814 -0.091 -4.126 639 H LEU 80 H LEU 80 -3.434 6.659 -2.504 640 HA LEU 80 HA LEU 80 -5.589 6.366 -4.322 641 HB2 LEU 80 HB3 LEU 80 -5.060 8.591 -2.322 642 HB3 LEU 80 HB2 LEU 80 -6.591 8.342 -3.153 643 HG LEU 80 HG LEU 80 -5.314 6.452 -1.135 644 HD11 LEU 80 HD11 LEU 80 -7.786 8.195 -0.917 645 HD12 LEU 80 HD12 LEU 80 -6.246 8.439 -0.089 646 HD13 LEU 80 HD13 LEU 80 -7.233 7.032 0.292 647 HD21 LEU 80 HD21 LEU 80 -7.377 5.099 -1.310 648 HD22 LEU 80 HD22 LEU 80 -6.495 5.135 -2.833 649 HD23 LEU 80 HD23 LEU 80 -7.945 6.124 -2.633 650 H GLU 81 H GLU 81 -3.062 8.831 -4.114 651 HA GLU 81 HA GLU 81 -4.003 10.645 -6.060 652 HB2 GLU 81 HB3 GLU 81 -1.158 10.027 -5.165 653 HB3 GLU 81 HB2 GLU 81 -1.604 11.402 -6.167 654 HG2 GLU 81 HG3 GLU 81 -2.460 10.913 -3.303 655 HG3 GLU 81 HG2 GLU 81 -1.266 12.081 -3.854 656 H SER 82 H SER 82 -1.671 7.931 -6.359 657 HA SER 82 HA SER 82 -1.216 8.164 -9.157 658 HB2 SER 82 HB3 SER 82 -0.164 5.927 -9.002 659 HB3 SER 82 HB2 SER 82 0.360 6.958 -7.672 660 HG SER 82 HG SER 82 -0.683 5.728 -6.282 661 H LEU 83 H LEU 83 -3.689 6.450 -7.300 662 HA LEU 83 HA LEU 83 -4.886 5.030 -9.447 663 HB2 LEU 83 HB3 LEU 83 -6.036 6.092 -6.853 664 HB3 LEU 83 HB2 LEU 83 -6.991 5.157 -7.994 665 HG LEU 83 HG LEU 83 -4.497 4.138 -6.581 666 HD11 LEU 83 HD11 LEU 83 -6.326 4.468 -4.998 667 HD12 LEU 83 HD12 LEU 83 -6.040 2.750 -5.260 668 HD13 LEU 83 HD13 LEU 83 -7.420 3.539 -6.027 669 HD21 LEU 83 HD21 LEU 83 -4.812 3.083 -8.776 670 HD22 LEU 83 HD22 LEU 83 -6.478 2.672 -8.361 671 HD23 LEU 83 HD23 LEU 83 -5.139 1.937 -7.479 672 H GLU 84 H GLU 84 -6.130 8.099 -7.934 673 HA GLU 84 HA GLU 84 -8.030 8.640 -9.924 674 HB2 GLU 84 HB3 GLU 84 -7.996 9.720 -7.684 675 HB3 GLU 84 HB2 GLU 84 -6.601 10.676 -8.164 676 HG2 GLU 84 HG3 GLU 84 -8.640 12.011 -8.257 677 HG3 GLU 84 HG2 GLU 84 -7.948 11.827 -9.867 678 H LEU 85 H LEU 85 -4.583 9.344 -9.945 679 HA LEU 85 HA LEU 85 -4.642 11.049 -12.283 680 HB2 LEU 85 HB3 LEU 85 -2.859 10.837 -10.314 681 HB3 LEU 85 HB2 LEU 85 -2.139 9.630 -11.358 682 HG LEU 85 HG LEU 85 -2.597 12.552 -12.113 683 HD11 LEU 85 HD11 LEU 85 -0.931 12.353 -10.336 684 HD12 LEU 85 HD12 LEU 85 -0.176 12.848 -11.847 685 HD13 LEU 85 HD13 LEU 85 -0.017 11.179 -11.290 686 HD21 LEU 85 HD21 LEU 85 -1.122 12.112 -14.049 687 HD22 LEU 85 HD22 LEU 85 -2.585 11.133 -14.111 688 HD23 LEU 85 HD23 LEU 85 -1.060 10.398 -13.615 689 H TYR 86 H TYR 86 -3.690 7.582 -11.749 690 HA TYR 86 HA TYR 86 -3.312 7.277 -14.684 691 HB2 TYR 86 HB2 TYR 86 -2.119 5.631 -12.423 692 HB3 TYR 86 HB1 TYR 86 -1.829 5.358 -14.139 693 HD1 TYR 86 HD1 TYR 86 -0.804 7.252 -11.215 694 HD2 TYR 86 HD2 TYR 86 -0.667 7.195 -15.489 695 HE1 TYR 86 HE1 TYR 86 1.069 8.846 -11.179 696 HE2 TYR 86 HE2 TYR 86 1.207 8.780 -15.443 697 HH TYR 86 HH TYR 86 2.954 9.502 -12.662 698 H TYR 87 H TYR 87 -4.806 5.647 -11.889 699 HA TYR 87 HA TYR 87 -6.395 3.915 -13.736 700 HB2 TYR 87 HB2 TYR 87 -5.800 3.168 -10.840 701 HB3 TYR 87 HB1 TYR 87 -6.330 2.119 -12.145 702 HD1 TYR 87 HD1 TYR 87 -3.442 3.714 -10.523 703 HD2 TYR 87 HD2 TYR 87 -4.671 1.300 -13.839 704 HE1 TYR 87 HE1 TYR 87 -1.097 3.112 -10.959 705 HE2 TYR 87 HE2 TYR 87 -2.322 0.699 -14.261 706 HH TYR 87 HH TYR 87 0.204 1.373 -12.067 707 HA PRO 88 HA PRO 88 -9.080 6.902 -11.043 708 HB2 PRO 88 HB3 PRO 88 -10.493 7.523 -13.607 709 HB3 PRO 88 HB2 PRO 88 -9.855 8.624 -12.376 710 HG2 PRO 88 HG3 PRO 88 -8.617 8.353 -14.743 711 HG3 PRO 88 HG2 PRO 88 -7.678 8.538 -13.243 712 HD2 PRO 88 HD3 PRO 88 -8.307 6.008 -14.782 713 HD3 PRO 88 HD2 PRO 88 -6.758 6.555 -14.106 714 H GLN 89 H GLN 89 -10.238 4.871 -13.741 715 HA GLN 89 HA GLN 89 -12.802 4.213 -12.876 716 HB2 GLN 89 HB3 GLN 89 -12.543 2.138 -14.244 717 HB3 GLN 89 HB2 GLN 89 -12.016 3.591 -15.084 718 HG2 GLN 89 HG3 GLN 89 -9.654 3.015 -14.588 719 HG3 GLN 89 HG2 GLN 89 -10.191 1.546 -13.773 720 HE21 GLN 89 HE21 GLN 89 -8.452 1.870 -16.122 721 HE22 GLN 89 HE22 GLN 89 -9.179 0.937 -17.374 722 H LEU 90 H LEU 90 -9.706 2.919 -11.777 723 HA LEU 90 HA LEU 90 -10.867 0.848 -10.104 724 HB2 LEU 90 HB3 LEU 90 -8.645 0.594 -11.230 725 HB3 LEU 90 HB2 LEU 90 -8.010 1.880 -10.215 726 HG LEU 90 HG LEU 90 -8.382 0.481 -8.193 727 HD11 LEU 90 HD11 LEU 90 -8.977 -1.897 -8.391 728 HD12 LEU 90 HD12 LEU 90 -9.296 -1.686 -10.114 729 HD13 LEU 90 HD13 LEU 90 -10.294 -0.852 -8.917 730 HD21 LEU 90 HD21 LEU 90 -6.205 0.407 -9.319 731 HD22 LEU 90 HD22 LEU 90 -6.757 -0.928 -10.335 732 HD23 LEU 90 HD23 LEU 90 -6.595 -1.149 -8.590 733 H TYR 91 H TYR 91 -9.488 4.103 -9.665 734 HA TYR 91 HA TYR 91 -9.298 4.333 -6.910 735 HB2 TYR 91 HB2 TYR 91 -8.545 6.098 -8.455 736 HB3 TYR 91 HB1 TYR 91 -10.205 6.453 -8.906 737 HD1 TYR 91 HD1 TYR 91 -7.712 6.724 -6.152 738 HD2 TYR 91 HD2 TYR 91 -11.602 7.872 -7.499 739 HE1 TYR 91 HE1 TYR 91 -7.855 8.385 -4.348 740 HE2 TYR 91 HE2 TYR 91 -11.730 9.532 -5.697 741 HH TYR 91 HH TYR 91 -9.057 10.492 -3.878 742 H LYS 92 H LYS 92 -12.208 4.855 -8.918 743 HA LYS 92 HA LYS 92 -13.948 5.633 -6.797 744 HB2 LYS 92 HB3 LYS 92 -14.460 4.656 -9.628 745 HB3 LYS 92 HB2 LYS 92 -15.800 4.882 -8.518 746 HG2 LYS 92 HG3 LYS 92 -15.638 6.846 -9.868 747 HG3 LYS 92 HG2 LYS 92 -15.132 7.274 -8.232 748 HD2 LYS 92 HD3 LYS 92 -12.783 7.234 -8.909 749 HD3 LYS 92 HD2 LYS 92 -13.227 6.655 -10.517 750 HE2 LYS 92 HE3 LYS 92 -14.482 8.791 -10.885 751 HE3 LYS 92 HE2 LYS 92 -13.880 9.366 -9.326 752 HZ1 LYS 92 HZ1 LYS 92 -12.166 8.551 -11.607 753 HZ2 LYS 92 HZ2 LYS 92 -11.645 9.225 -10.142 754 HZ3 LYS 92 HZ3 LYS 92 -12.564 10.146 -11.215 755 H LYS 93 H LYS 93 -12.957 2.456 -7.948 756 HA LYS 93 HA LYS 93 -14.988 0.938 -6.573 757 HB2 LYS 93 HB3 LYS 93 -12.257 0.030 -7.584 758 HB3 LYS 93 HB2 LYS 93 -13.587 -1.026 -7.108 759 HG2 LYS 93 HG3 LYS 93 -14.944 -0.182 -8.977 760 HG3 LYS 93 HG2 LYS 93 -13.641 0.918 -9.438 761 HD2 LYS 93 HD3 LYS 93 -12.172 -1.034 -9.895 762 HD3 LYS 93 HD2 LYS 93 -13.488 -2.123 -9.444 763 HE2 LYS 93 HE3 LYS 93 -13.517 -0.176 -11.780 764 HE3 LYS 93 HE2 LYS 93 -13.290 -1.923 -11.888 765 HZ1 LYS 93 HZ1 LYS 93 -15.729 -0.547 -10.898 766 HZ2 LYS 93 HZ2 LYS 93 -15.509 -2.221 -10.959 767 HZ3 LYS 93 HZ3 LYS 93 -15.557 -1.322 -12.390 768 H VAL 94 H VAL 94 -11.613 1.859 -5.903 769 HA VAL 94 HA VAL 94 -11.223 0.402 -3.504 770 HB VAL 94 HB VAL 94 -9.835 2.998 -4.312 771 HG11 VAL 94 HG11 VAL 94 -8.878 0.812 -2.409 772 HG12 VAL 94 HG12 VAL 94 -9.411 2.429 -1.945 773 HG13 VAL 94 HG13 VAL 94 -7.943 2.230 -2.902 774 HG21 VAL 94 HG21 VAL 94 -9.061 0.132 -4.959 775 HG22 VAL 94 HG22 VAL 94 -8.094 1.562 -5.328 776 HG23 VAL 94 HG23 VAL 94 -9.661 1.336 -6.099 777 H THR 95 H THR 95 -12.018 3.841 -3.949 778 HA THR 95 HA THR 95 -13.107 3.967 -1.192 779 HB THR 95 HB THR 95 -11.005 5.090 -0.989 780 HG1 THR 95 HG1 THR 95 -11.682 7.149 -0.414 781 HG21 THR 95 HG21 THR 95 -11.666 6.711 -3.479 782 HG22 THR 95 HG22 THR 95 -10.447 5.438 -3.364 783 HG23 THR 95 HG23 THR 95 -10.248 6.932 -2.448 784 H GLY 96 H GLY 96 -13.189 5.368 -4.476 785 HA2 GLY 96 HA3 GLY 96 -14.993 6.256 -5.652 786 HA3 GLY 96 HA2 GLY 96 -16.005 6.082 -4.236 787 H LYS 97 H LYS 97 -13.940 7.615 -2.657 788 HA LYS 97 HA LYS 97 -14.134 9.571 -1.566 789 HB2 LYS 97 HB3 LYS 97 -12.858 11.281 -2.497 790 HB3 LYS 97 HB2 LYS 97 -12.324 9.874 -3.408 791 HG2 LYS 97 HG3 LYS 97 -13.553 10.556 -5.357 792 HG3 LYS 97 HG2 LYS 97 -14.404 11.819 -4.461 793 HD2 LYS 97 HD3 LYS 97 -12.253 13.020 -4.126 794 HD3 LYS 97 HD2 LYS 97 -11.412 11.764 -5.040 795 HE2 LYS 97 HE3 LYS 97 -13.629 13.497 -6.183 796 HE3 LYS 97 HE2 LYS 97 -11.911 13.863 -6.341 797 HZ1 LYS 97 HZ1 LYS 97 -12.793 12.737 -8.285 798 HZ2 LYS 97 HZ2 LYS 97 -13.231 11.409 -7.345 799 HZ3 LYS 97 HZ3 LYS 97 -11.602 11.806 -7.529 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 0.960 10.962 22.428 2 H2 MET 1 HT2 MET 1 1.300 11.689 23.916 3 H3 MET 1 HT3 MET 1 2.481 11.640 22.710 4 HA MET 1 HA MET 1 -0.084 13.099 22.566 5 HB2 MET 1 HB2 MET 1 2.753 14.121 22.991 6 HB3 MET 1 HB1 MET 1 1.385 15.165 22.629 7 HG2 MET 1 HG2 MET 1 0.281 14.410 24.719 8 HG3 MET 1 HG1 MET 1 1.700 13.428 25.095 9 HE1 MET 1 HE1 MET 1 1.905 16.452 27.645 10 HE2 MET 1 HE2 MET 1 1.801 14.697 27.490 11 HE3 MET 1 HE3 MET 1 0.424 15.709 27.045 12 H SER 2 H SER 2 3.161 13.426 20.986 13 HA SER 2 HA SER 2 1.942 13.644 18.337 14 HB2 SER 2 HB3 SER 2 4.890 13.629 19.158 15 HB3 SER 2 HB2 SER 2 4.283 13.976 17.537 16 HG SER 2 HG SER 2 4.745 15.745 19.258 17 H ASP 3 H ASP 3 1.046 11.613 17.849 18 HA ASP 3 HA ASP 3 2.875 9.277 17.811 19 HB2 ASP 3 HB3 ASP 3 -0.056 9.336 18.601 20 HB3 ASP 3 HB2 ASP 3 0.840 7.849 18.293 21 H TYR 4 H TYR 4 3.408 9.040 15.761 22 HA TYR 4 HA TYR 4 1.562 9.054 13.531 23 HB2 TYR 4 HB2 TYR 4 3.493 8.401 12.174 24 HB3 TYR 4 HB1 TYR 4 3.959 9.704 13.257 25 HD1 TYR 4 HD1 TYR 4 5.204 9.008 15.470 26 HD2 TYR 4 HD2 TYR 4 4.824 6.419 12.086 27 HE1 TYR 4 HE1 TYR 4 7.094 7.671 16.285 28 HE2 TYR 4 HE2 TYR 4 6.719 5.082 12.910 29 HH TYR 4 HH TYR 4 7.936 5.330 16.038 30 H GLU 5 H GLU 5 2.282 6.841 15.958 31 HA GLU 5 HA GLU 5 2.137 4.323 14.589 32 HB2 GLU 5 HB3 GLU 5 1.779 5.029 17.532 33 HB3 GLU 5 HB2 GLU 5 1.965 3.391 16.905 34 HG2 GLU 5 HG3 GLU 5 4.226 3.969 16.083 35 HG3 GLU 5 HG2 GLU 5 4.044 5.598 16.736 36 H ASN 6 H ASN 6 0.462 2.715 15.872 37 HA ASN 6 HA ASN 6 -1.614 1.823 15.968 38 HB2 ASN 6 HB3 ASN 6 -2.547 4.690 16.418 39 HB3 ASN 6 HB2 ASN 6 -3.524 3.255 16.710 40 HD21 ASN 6 HD21 ASN 6 -2.993 1.914 18.503 41 HD22 ASN 6 HD22 ASN 6 -2.011 2.508 19.794 42 H ASP 7 H ASP 7 -0.507 2.866 13.364 43 HA ASP 7 HA ASP 7 -2.982 3.315 11.805 44 HB2 ASP 7 HB3 ASP 7 -1.129 5.093 11.756 45 HB3 ASP 7 HB2 ASP 7 -0.115 3.901 10.955 46 H ASP 8 H ASP 8 -3.383 0.971 11.931 47 HA ASP 8 HA ASP 8 -1.884 -0.546 9.870 48 HB2 ASP 8 HB3 ASP 8 -2.105 -1.590 12.151 49 HB3 ASP 8 HB2 ASP 8 -3.853 -1.582 11.955 50 H GLU 9 H GLU 9 -4.825 1.068 10.542 51 HA GLU 9 HA GLU 9 -6.751 -0.643 9.392 52 HB2 GLU 9 HB3 GLU 9 -6.882 2.302 10.133 53 HB3 GLU 9 HB2 GLU 9 -8.274 1.391 9.568 54 HG2 GLU 9 HG3 GLU 9 -8.288 1.586 12.003 55 HG3 GLU 9 HG2 GLU 9 -8.138 -0.098 11.500 56 H CYS 10 H CYS 10 -5.332 2.394 8.079 57 HA CYS 10 HA CYS 10 -6.914 2.483 5.734 58 HB2 CYS 10 HB3 CYS 10 -5.229 4.130 4.874 59 HB3 CYS 10 HB2 CYS 10 -5.823 4.508 6.490 60 H TRP 11 H TRP 11 -4.009 0.719 6.445 61 HA TRP 11 HA TRP 11 -3.531 -0.033 3.665 62 HB2 TRP 11 HB2 TRP 11 -2.062 -0.802 6.215 63 HB3 TRP 11 HB1 TRP 11 -1.538 -1.189 4.571 64 HD1 TRP 11 HD1 TRP 11 -1.345 1.580 7.127 65 HE1 TRP 11 HE1 TRP 11 -0.169 3.620 6.103 66 HE3 TRP 11 HE3 TRP 11 -1.373 0.183 2.212 67 HZ2 TRP 11 HZ2 TRP 11 0.612 4.543 3.569 68 HZ3 TRP 11 HZ3 TRP 11 -0.402 1.707 0.539 69 HH2 TRP 11 HH2 TRP 11 0.567 3.847 1.210 70 H SER 12 H SER 12 -4.831 -1.524 6.615 71 HA SER 12 HA SER 12 -4.988 -4.188 5.483 72 HB2 SER 12 HB3 SER 12 -6.271 -4.749 7.578 73 HB3 SER 12 HB2 SER 12 -4.688 -4.030 7.872 74 HG SER 12 HG SER 12 -5.618 -2.449 8.844 75 H VAL 13 H VAL 13 -7.129 -1.402 5.466 76 HA VAL 13 HA VAL 13 -9.456 -2.830 4.548 77 HB VAL 13 HB VAL 13 -10.328 -0.700 3.670 78 HG11 VAL 13 HG11 VAL 13 -9.074 -0.394 6.406 79 HG12 VAL 13 HG12 VAL 13 -10.611 -1.178 6.041 80 HG13 VAL 13 HG13 VAL 13 -10.424 0.556 5.782 81 HG21 VAL 13 HG21 VAL 13 -7.637 0.538 4.396 82 HG22 VAL 13 HG22 VAL 13 -9.067 1.435 3.882 83 HG23 VAL 13 HG23 VAL 13 -8.274 0.325 2.764 84 H LEU 14 H LEU 14 -6.550 -1.569 3.016 85 HA LEU 14 HA LEU 14 -7.404 -1.838 0.335 86 HB2 LEU 14 HB3 LEU 14 -4.557 -1.881 1.400 87 HB3 LEU 14 HB2 LEU 14 -5.009 -1.653 -0.285 88 HG LEU 14 HG LEU 14 -5.606 0.260 1.999 89 HD11 LEU 14 HD11 LEU 14 -3.252 0.273 1.368 90 HD12 LEU 14 HD12 LEU 14 -4.037 1.778 0.900 91 HD13 LEU 14 HD13 LEU 14 -3.681 0.554 -0.323 92 HD21 LEU 14 HD21 LEU 14 -7.435 0.333 0.379 93 HD22 LEU 14 HD22 LEU 14 -6.289 0.559 -0.946 94 HD23 LEU 14 HD23 LEU 14 -6.473 1.808 0.289 95 H GLU 15 H GLU 15 -5.804 -4.013 2.609 96 HA GLU 15 HA GLU 15 -5.221 -6.273 1.139 97 HB2 GLU 15 HB3 GLU 15 -4.728 -6.119 3.519 98 HB3 GLU 15 HB2 GLU 15 -6.432 -6.025 3.925 99 HG2 GLU 15 HG3 GLU 15 -5.517 -8.211 4.506 100 HG3 GLU 15 HG2 GLU 15 -6.746 -8.362 3.252 101 H GLY 16 H GLY 16 -8.422 -5.306 2.405 102 HA2 GLY 16 HA3 GLY 16 -10.022 -7.409 1.484 103 HA3 GLY 16 HA2 GLY 16 -10.568 -5.757 1.728 104 H PHE 17 H PHE 17 -8.684 -4.686 -0.326 105 HA PHE 17 HA PHE 17 -10.169 -5.459 -2.779 106 HB2 PHE 17 HB2 PHE 17 -8.594 -2.918 -2.128 107 HB3 PHE 17 HB1 PHE 17 -9.389 -3.234 -3.665 108 HD1 PHE 17 HD1 PHE 17 -11.884 -3.273 -3.811 109 HD2 PHE 17 HD2 PHE 17 -9.873 -2.172 -0.195 110 HE1 PHE 17 HE1 PHE 17 -13.956 -2.253 -2.962 111 HE2 PHE 17 HE2 PHE 17 -11.955 -1.158 0.646 112 HZ PHE 17 HZ PHE 17 -13.995 -1.199 -0.737 113 H ARG 18 H ARG 18 -7.347 -6.403 -1.373 114 HA ARG 18 HA ARG 18 -5.294 -5.502 -3.096 115 HB2 ARG 18 HB3 ARG 18 -4.864 -6.301 -0.804 116 HB3 ARG 18 HB2 ARG 18 -5.262 -7.946 -1.285 117 HG2 ARG 18 HG3 ARG 18 -3.320 -8.052 -2.736 118 HG3 ARG 18 HG2 ARG 18 -2.978 -6.342 -2.480 119 HD2 ARG 18 HD3 ARG 18 -1.439 -7.736 -1.195 120 HD3 ARG 18 HD2 ARG 18 -2.466 -6.797 -0.114 121 HE ARG 18 HE ARG 18 -3.731 -8.808 0.322 122 HH11 ARG 18 HH11 ARG 18 -0.754 -9.438 -1.320 123 HH12 ARG 18 HH12 ARG 18 -0.590 -11.002 -0.606 124 HH21 ARG 18 HH21 ARG 18 -3.489 -10.767 1.223 125 HH22 ARG 18 HH22 ARG 18 -2.116 -11.746 0.820 126 H VAL 19 H VAL 19 -7.384 -8.313 -3.357 127 HA VAL 19 HA VAL 19 -6.090 -9.816 -5.340 128 HB VAL 19 HB VAL 19 -9.097 -9.356 -5.036 129 HG11 VAL 19 HG11 VAL 19 -7.624 -11.631 -6.425 130 HG12 VAL 19 HG12 VAL 19 -8.576 -10.375 -7.215 131 HG13 VAL 19 HG13 VAL 19 -9.369 -11.550 -6.167 132 HG21 VAL 19 HG21 VAL 19 -7.337 -11.512 -3.798 133 HG22 VAL 19 HG22 VAL 19 -9.096 -11.423 -3.666 134 HG23 VAL 19 HG23 VAL 19 -8.092 -10.167 -2.939 135 H THR 20 H THR 20 -8.366 -7.078 -5.732 136 HA THR 20 HA THR 20 -8.136 -6.927 -8.596 137 HB THR 20 HB THR 20 -9.136 -4.709 -6.750 138 HG1 THR 20 HG1 THR 20 -11.242 -5.714 -7.250 139 HG21 THR 20 HG21 THR 20 -8.803 -4.031 -9.121 140 HG22 THR 20 HG22 THR 20 -10.513 -4.051 -8.693 141 HG23 THR 20 HG23 THR 20 -9.830 -5.369 -9.647 142 H LEU 21 H LEU 21 -6.713 -5.096 -5.867 143 HA LEU 21 HA LEU 21 -5.452 -3.003 -7.204 144 HB2 LEU 21 HB3 LEU 21 -4.624 -4.446 -4.662 145 HB3 LEU 21 HB2 LEU 21 -3.847 -2.971 -5.218 146 HG LEU 21 HG LEU 21 -6.768 -3.231 -4.386 147 HD11 LEU 21 HD11 LEU 21 -4.453 -1.843 -2.992 148 HD12 LEU 21 HD12 LEU 21 -5.235 -3.339 -2.475 149 HD13 LEU 21 HD13 LEU 21 -6.142 -1.829 -2.468 150 HD21 LEU 21 HD21 LEU 21 -5.226 -0.778 -5.302 151 HD22 LEU 21 HD22 LEU 21 -6.856 -0.772 -4.627 152 HD23 LEU 21 HD23 LEU 21 -6.548 -1.573 -6.166 153 H THR 22 H THR 22 -3.965 -6.135 -6.268 154 HA THR 22 HA THR 22 -1.402 -5.531 -7.350 155 HB THR 22 HB THR 22 -0.855 -7.894 -6.947 156 HG1 THR 22 HG1 THR 22 -2.362 -9.395 -6.731 157 HG21 THR 22 HG21 THR 22 -2.545 -6.711 -4.724 158 HG22 THR 22 HG22 THR 22 -0.835 -6.387 -5.011 159 HG23 THR 22 HG23 THR 22 -1.355 -8.003 -4.535 160 H SER 23 H SER 23 -4.254 -6.954 -8.760 161 HA SER 23 HA SER 23 -3.007 -8.071 -11.112 162 HB2 SER 23 HB3 SER 23 -5.930 -7.472 -10.491 163 HB3 SER 23 HB2 SER 23 -5.366 -8.373 -11.902 164 HG SER 23 HG SER 23 -4.870 -9.103 -9.197 165 H VAL 24 H VAL 24 -4.840 -5.075 -10.423 166 HA VAL 24 HA VAL 24 -4.762 -4.170 -13.191 167 HB VAL 24 HB VAL 24 -5.858 -2.803 -10.692 168 HG11 VAL 24 HG11 VAL 24 -6.218 -1.996 -13.606 169 HG12 VAL 24 HG12 VAL 24 -5.312 -1.102 -12.385 170 HG13 VAL 24 HG13 VAL 24 -7.060 -1.271 -12.235 171 HG21 VAL 24 HG21 VAL 24 -7.328 -4.307 -12.896 172 HG22 VAL 24 HG22 VAL 24 -8.091 -3.465 -11.546 173 HG23 VAL 24 HG23 VAL 24 -7.075 -4.876 -11.243 174 H ILE 25 H ILE 25 -3.417 -2.985 -10.083 175 HA ILE 25 HA ILE 25 -2.031 -0.746 -11.154 176 HB ILE 25 HB ILE 25 -1.438 -2.220 -8.550 177 HG12 ILE 25 HG12 ILE 25 -3.178 0.248 -8.965 178 HG13 ILE 25 HG11 ILE 25 -3.801 -1.382 -8.727 179 HG21 ILE 25 HG21 ILE 25 -0.381 -0.106 -7.779 180 HG22 ILE 25 HG22 ILE 25 -0.651 0.610 -9.369 181 HG23 ILE 25 HG23 ILE 25 0.451 -0.756 -9.196 182 HD11 ILE 25 HD11 ILE 25 -3.908 -0.087 -6.690 183 HD12 ILE 25 HD12 ILE 25 -2.170 0.193 -6.738 184 HD13 ILE 25 HD13 ILE 25 -2.798 -1.442 -6.499 185 H ASP 26 H ASP 26 -0.201 -0.714 -12.342 186 HA ASP 26 HA ASP 26 1.922 -2.711 -11.820 187 HB2 ASP 26 HB3 ASP 26 1.292 -2.439 -14.212 188 HB3 ASP 26 HB2 ASP 26 1.677 -0.725 -14.116 189 HA PRO 27 HA PRO 27 3.458 0.794 -9.356 190 HB2 PRO 27 HB3 PRO 27 5.695 -0.886 -8.471 191 HB3 PRO 27 HB2 PRO 27 4.344 -0.259 -7.529 192 HG2 PRO 27 HG3 PRO 27 4.673 -2.920 -8.178 193 HG3 PRO 27 HG2 PRO 27 3.115 -2.172 -7.782 194 HD2 PRO 27 HD3 PRO 27 4.240 -2.909 -10.468 195 HD3 PRO 27 HD2 PRO 27 2.556 -2.956 -9.895 196 H SER 28 H SER 28 5.147 -1.097 -11.737 197 HA SER 28 HA SER 28 7.560 0.337 -11.997 198 HB2 SER 28 HB3 SER 28 6.074 -1.146 -14.205 199 HB3 SER 28 HB2 SER 28 7.812 -0.821 -14.120 200 HG SER 28 HG SER 28 6.349 -2.818 -12.991 201 H ARG 29 H ARG 29 4.336 0.917 -13.332 202 HA ARG 29 HA ARG 29 5.082 3.041 -15.116 203 HB2 ARG 29 HB3 ARG 29 2.374 2.383 -13.866 204 HB3 ARG 29 HB2 ARG 29 2.620 3.585 -15.133 205 HG2 ARG 29 HG3 ARG 29 3.040 0.593 -15.349 206 HG3 ARG 29 HG2 ARG 29 1.786 1.556 -16.134 207 HD2 ARG 29 HD3 ARG 29 3.399 2.645 -17.545 208 HD3 ARG 29 HD2 ARG 29 4.752 1.959 -16.641 209 HE ARG 29 HE ARG 29 2.896 0.361 -18.323 210 HH11 ARG 29 HH11 ARG 29 6.084 0.886 -17.076 211 HH12 ARG 29 HH12 ARG 29 6.758 -0.428 -17.970 212 HH21 ARG 29 HH21 ARG 29 3.787 -1.333 -19.423 213 HH22 ARG 29 HH22 ARG 29 5.474 -1.673 -19.266 214 H ILE 30 H ILE 30 4.159 2.886 -11.719 215 HA ILE 30 HA ILE 30 4.188 5.825 -11.535 216 HB ILE 30 HB ILE 30 2.940 5.625 -9.435 217 HG12 ILE 30 HG12 ILE 30 3.000 2.595 -9.844 218 HG13 ILE 30 HG11 ILE 30 3.952 3.459 -8.642 219 HG21 ILE 30 HG21 ILE 30 1.672 3.923 -11.617 220 HG22 ILE 30 HG22 ILE 30 1.646 5.685 -11.534 221 HG23 ILE 30 HG23 ILE 30 0.810 4.737 -10.306 222 HD11 ILE 30 HD11 ILE 30 0.949 3.242 -8.737 223 HD12 ILE 30 HD12 ILE 30 1.861 4.200 -7.566 224 HD13 ILE 30 HD13 ILE 30 2.044 2.444 -7.606 225 H THR 31 H THR 31 6.519 3.592 -11.269 226 HA THR 31 HA THR 31 7.639 3.875 -8.721 227 HB THR 31 HB THR 31 9.973 3.531 -10.024 228 HG1 THR 31 HG1 THR 31 9.810 3.018 -12.069 229 HG21 THR 31 HG21 THR 31 7.871 1.354 -9.926 230 HG22 THR 31 HG22 THR 31 8.922 1.823 -8.591 231 HG23 THR 31 HG23 THR 31 9.616 1.108 -10.049 232 HA PRO 32 HA PRO 32 10.175 7.816 -10.222 233 HB2 PRO 32 HB3 PRO 32 8.916 9.380 -12.160 234 HB3 PRO 32 HB2 PRO 32 10.243 8.258 -12.478 235 HG2 PRO 32 HG3 PRO 32 7.287 7.839 -12.833 236 HG3 PRO 32 HG2 PRO 32 8.621 7.356 -13.900 237 HD2 PRO 32 HD3 PRO 32 7.419 5.571 -12.270 238 HD3 PRO 32 HD2 PRO 32 9.166 5.491 -12.587 239 H TYR 33 H TYR 33 6.614 7.808 -10.390 240 HA TYR 33 HA TYR 33 6.145 10.287 -9.101 241 HB2 TYR 33 HB2 TYR 33 4.364 9.154 -10.372 242 HB3 TYR 33 HB1 TYR 33 4.373 7.799 -9.245 243 HD1 TYR 33 HD1 TYR 33 2.883 7.836 -7.362 244 HD2 TYR 33 HD2 TYR 33 3.797 11.501 -9.385 245 HE1 TYR 33 HE1 TYR 33 1.272 9.041 -5.939 246 HE2 TYR 33 HE2 TYR 33 2.178 12.682 -7.973 247 HH TYR 33 HH TYR 33 0.885 11.360 -5.155 248 H LEU 34 H LEU 34 6.201 6.957 -7.767 249 HA LEU 34 HA LEU 34 5.730 7.692 -5.063 250 HB2 LEU 34 HB3 LEU 34 7.022 5.175 -6.175 251 HB3 LEU 34 HB2 LEU 34 6.464 5.374 -4.522 252 HG LEU 34 HG LEU 34 4.716 5.295 -7.013 253 HD11 LEU 34 HD11 LEU 34 4.997 3.308 -4.734 254 HD12 LEU 34 HD12 LEU 34 5.597 3.106 -6.382 255 HD13 LEU 34 HD13 LEU 34 3.863 3.184 -6.084 256 HD21 LEU 34 HD21 LEU 34 2.773 5.388 -5.481 257 HD22 LEU 34 HD22 LEU 34 3.735 6.861 -5.406 258 HD23 LEU 34 HD23 LEU 34 3.859 5.662 -4.116 259 H ARG 35 H ARG 35 8.691 7.367 -6.963 260 HA ARG 35 HA ARG 35 10.581 7.591 -4.844 261 HB2 ARG 35 HB3 ARG 35 10.782 8.164 -7.818 262 HB3 ARG 35 HB2 ARG 35 12.156 8.358 -6.737 263 HG2 ARG 35 HG3 ARG 35 10.639 5.753 -7.109 264 HG3 ARG 35 HG2 ARG 35 12.116 6.178 -7.976 265 HD2 ARG 35 HD3 ARG 35 11.920 5.992 -4.942 266 HD3 ARG 35 HD2 ARG 35 12.468 4.675 -5.982 267 HE ARG 35 HE ARG 35 14.188 6.482 -6.745 268 HH11 ARG 35 HH11 ARG 35 13.113 6.042 -3.494 269 HH12 ARG 35 HH12 ARG 35 14.615 6.560 -2.828 270 HH21 ARG 35 HH21 ARG 35 16.105 7.110 -5.848 271 HH22 ARG 35 HH22 ARG 35 16.277 7.140 -4.128 272 H GLN 36 H GLN 36 9.254 10.146 -7.063 273 HA GLN 36 HA GLN 36 10.581 12.295 -5.705 274 HB2 GLN 36 HB3 GLN 36 9.096 13.825 -7.015 275 HB3 GLN 36 HB2 GLN 36 9.960 12.658 -7.993 276 HG2 GLN 36 HG3 GLN 36 7.941 12.537 -9.028 277 HG3 GLN 36 HG2 GLN 36 7.673 11.311 -7.803 278 HE21 GLN 36 HE21 GLN 36 5.742 12.857 -9.283 279 HE22 GLN 36 HE22 GLN 36 4.777 13.690 -8.120 280 H CYS 37 H CYS 37 7.558 10.655 -5.119 281 HA CYS 37 HA CYS 37 6.558 12.483 -3.125 282 HB2 CYS 37 HB3 CYS 37 5.851 9.583 -3.709 283 HB3 CYS 37 HB2 CYS 37 4.993 10.594 -2.549 284 HG CYS 37 HG CYS 37 4.005 12.366 -4.424 285 H LYS 38 H LYS 38 9.151 10.314 -3.118 286 HA LYS 38 HA LYS 38 10.676 9.661 -1.594 287 HB2 LYS 38 HB3 LYS 38 9.200 11.456 0.374 288 HB3 LYS 38 HB2 LYS 38 10.808 10.779 0.620 289 HG2 LYS 38 HG3 LYS 38 10.057 12.726 -1.585 290 HG3 LYS 38 HG2 LYS 38 10.840 13.163 -0.064 291 HD2 LYS 38 HD3 LYS 38 12.796 11.769 -0.670 292 HD3 LYS 38 HD2 LYS 38 12.005 11.315 -2.185 293 HE2 LYS 38 HE3 LYS 38 13.700 13.120 -2.466 294 HE3 LYS 38 HE2 LYS 38 12.084 13.605 -2.975 295 HZ1 LYS 38 HZ1 LYS 38 13.312 14.280 -0.356 296 HZ2 LYS 38 HZ2 LYS 38 11.806 14.805 -0.924 297 HZ3 LYS 38 HZ3 LYS 38 13.224 15.318 -1.687 298 H VAL 39 H VAL 39 7.765 8.452 -1.660 299 HA VAL 39 HA VAL 39 7.691 7.039 0.909 300 HB VAL 39 HB VAL 39 5.482 6.211 0.214 301 HG11 VAL 39 HG11 VAL 39 5.810 9.208 -0.263 302 HG12 VAL 39 HG12 VAL 39 5.591 8.420 1.302 303 HG13 VAL 39 HG13 VAL 39 4.289 8.395 0.114 304 HG21 VAL 39 HG21 VAL 39 4.437 6.928 -1.939 305 HG22 VAL 39 HG22 VAL 39 5.855 5.915 -2.208 306 HG23 VAL 39 HG23 VAL 39 5.968 7.661 -2.428 307 H LEU 40 H LEU 40 8.819 6.505 -2.288 308 HA LEU 40 HA LEU 40 9.052 3.575 -1.911 309 HB2 LEU 40 HB3 LEU 40 8.117 4.609 -4.079 310 HB3 LEU 40 HB2 LEU 40 9.738 5.183 -4.406 311 HG LEU 40 HG LEU 40 10.488 2.725 -4.318 312 HD11 LEU 40 HD11 LEU 40 8.558 1.807 -3.113 313 HD12 LEU 40 HD12 LEU 40 8.780 1.003 -4.664 314 HD13 LEU 40 HD13 LEU 40 7.501 2.205 -4.472 315 HD21 LEU 40 HD21 LEU 40 10.248 3.932 -6.448 316 HD22 LEU 40 HD22 LEU 40 8.538 3.503 -6.514 317 HD23 LEU 40 HD23 LEU 40 9.771 2.243 -6.617 318 H ASN 41 H ASN 41 10.977 2.820 -1.178 319 HA ASN 41 HA ASN 41 13.370 4.462 -1.046 320 HB2 ASN 41 HB3 ASN 41 12.873 1.531 -0.337 321 HB3 ASN 41 HB2 ASN 41 14.411 2.352 -0.077 322 HD21 ASN 41 HD21 ASN 41 11.064 2.169 0.937 323 HD22 ASN 41 HD22 ASN 41 11.273 3.029 2.424 324 HA PRO 42 HA PRO 42 15.430 3.073 -4.878 325 HB2 PRO 42 HB3 PRO 42 18.037 2.635 -3.990 326 HB3 PRO 42 HB2 PRO 42 17.377 4.235 -4.357 327 HG2 PRO 42 HG3 PRO 42 17.619 2.853 -1.681 328 HG3 PRO 42 HG2 PRO 42 18.024 4.532 -2.111 329 HD2 PRO 42 HD3 PRO 42 15.720 3.972 -0.862 330 HD3 PRO 42 HD2 PRO 42 15.763 5.200 -2.149 331 H ASP 43 H ASP 43 15.796 1.197 -1.915 332 HA ASP 43 HA ASP 43 16.487 -1.341 -2.921 333 HB2 ASP 43 HB3 ASP 43 14.766 -0.628 -0.499 334 HB3 ASP 43 HB2 ASP 43 15.535 -2.191 -0.778 335 H ASP 44 H ASP 44 13.287 0.128 -2.301 336 HA ASP 44 HA ASP 44 11.720 -2.115 -3.131 337 HB2 ASP 44 HB3 ASP 44 10.819 0.784 -2.957 338 HB3 ASP 44 HB2 ASP 44 9.787 -0.646 -2.933 339 H GLU 45 H GLU 45 12.813 0.840 -4.757 340 HA GLU 45 HA GLU 45 11.492 0.602 -7.221 341 HB2 GLU 45 HB3 GLU 45 12.795 2.597 -6.539 342 HB3 GLU 45 HB2 GLU 45 14.289 1.670 -6.634 343 HG2 GLU 45 HG3 GLU 45 13.909 1.388 -9.088 344 HG3 GLU 45 HG2 GLU 45 12.472 2.405 -8.953 345 H GLU 46 H GLU 46 14.709 -0.626 -6.255 346 HA GLU 46 HA GLU 46 15.397 -2.120 -8.520 347 HB2 GLU 46 HB3 GLU 46 17.026 -1.590 -6.794 348 HB3 GLU 46 HB2 GLU 46 16.122 -2.495 -5.591 349 HG2 GLU 46 HG3 GLU 46 18.145 -3.689 -6.274 350 HG3 GLU 46 HG2 GLU 46 16.695 -4.599 -6.680 351 H GLN 47 H GLN 47 13.550 -3.122 -5.618 352 HA GLN 47 HA GLN 47 13.126 -5.829 -6.239 353 HB2 GLN 47 HB3 GLN 47 12.598 -4.936 -4.017 354 HB3 GLN 47 HB2 GLN 47 11.354 -3.890 -4.691 355 HG2 GLN 47 HG3 GLN 47 10.039 -5.904 -5.340 356 HG3 GLN 47 HG2 GLN 47 11.269 -6.928 -4.605 357 HE21 GLN 47 HE21 GLN 47 11.660 -5.202 -2.251 358 HE22 GLN 47 HE22 GLN 47 10.244 -5.382 -1.289 359 H VAL 48 H VAL 48 10.981 -3.045 -6.886 360 HA VAL 48 HA VAL 48 8.924 -4.409 -8.221 361 HB VAL 48 HB VAL 48 9.673 -1.454 -8.294 362 HG11 VAL 48 HG11 VAL 48 8.375 -1.985 -10.325 363 HG12 VAL 48 HG12 VAL 48 7.394 -1.035 -9.210 364 HG13 VAL 48 HG13 VAL 48 7.138 -2.775 -9.347 365 HG21 VAL 48 HG21 VAL 48 8.991 -2.285 -6.063 366 HG22 VAL 48 HG22 VAL 48 7.501 -2.936 -6.749 367 HG23 VAL 48 HG23 VAL 48 7.768 -1.192 -6.719 368 H LEU 49 H LEU 49 11.847 -2.846 -9.521 369 HA LEU 49 HA LEU 49 10.941 -3.363 -12.272 370 HB2 LEU 49 HB3 LEU 49 13.390 -1.816 -11.322 371 HB3 LEU 49 HB2 LEU 49 12.785 -1.888 -12.971 372 HG LEU 49 HG LEU 49 11.416 -0.548 -10.606 373 HD11 LEU 49 HD11 LEU 49 12.631 0.649 -13.119 374 HD12 LEU 49 HD12 LEU 49 13.296 0.744 -11.487 375 HD13 LEU 49 HD13 LEU 49 11.770 1.540 -11.858 376 HD21 LEU 49 HD21 LEU 49 9.731 -1.596 -12.023 377 HD22 LEU 49 HD22 LEU 49 10.426 -0.839 -13.462 378 HD23 LEU 49 HD23 LEU 49 9.677 0.158 -12.212 379 H SER 50 H SER 50 12.448 -5.275 -10.126 380 HA SER 50 HA SER 50 14.752 -6.218 -11.514 381 HB2 SER 50 HB3 SER 50 14.365 -6.602 -9.084 382 HB3 SER 50 HB2 SER 50 13.066 -7.727 -9.474 383 HG SER 50 HG SER 50 15.732 -8.039 -10.404 384 H ASP 51 H ASP 51 11.562 -6.528 -12.484 385 HA ASP 51 HA ASP 51 11.667 -9.177 -13.667 386 HB2 ASP 51 HB3 ASP 51 9.690 -6.896 -13.984 387 HB3 ASP 51 HB2 ASP 51 9.491 -8.480 -14.727 388 HA PRO 52 HA PRO 52 12.959 -7.643 -17.824 389 HB2 PRO 52 HB3 PRO 52 12.793 -9.977 -19.181 390 HB3 PRO 52 HB2 PRO 52 14.100 -9.681 -18.027 391 HG2 PRO 52 HG3 PRO 52 11.539 -11.236 -17.629 392 HG3 PRO 52 HG2 PRO 52 13.197 -11.691 -17.174 393 HD2 PRO 52 HD3 PRO 52 11.394 -10.602 -15.402 394 HD3 PRO 52 HD2 PRO 52 13.152 -10.393 -15.241 395 H ASN 53 H ASN 53 9.954 -9.323 -16.985 396 HA ASN 53 HA ASN 53 8.595 -8.460 -19.484 397 HB2 ASN 53 HB3 ASN 53 7.884 -10.717 -17.563 398 HB3 ASN 53 HB2 ASN 53 6.900 -10.245 -18.944 399 HD21 ASN 53 HD21 ASN 53 7.090 -12.282 -19.888 400 HD22 ASN 53 HD22 ASN 53 8.557 -12.848 -20.596 401 H LEU 54 H LEU 54 8.753 -7.933 -16.123 402 HA LEU 54 HA LEU 54 7.738 -6.585 -14.643 403 HB2 LEU 54 HB3 LEU 54 6.531 -5.352 -17.137 404 HB3 LEU 54 HB2 LEU 54 6.211 -4.720 -15.531 405 HG LEU 54 HG LEU 54 8.735 -4.398 -15.266 406 HD11 LEU 54 HD11 LEU 54 8.818 -4.840 -18.258 407 HD12 LEU 54 HD12 LEU 54 9.547 -5.879 -17.032 408 HD13 LEU 54 HD13 LEU 54 10.141 -4.235 -17.254 409 HD21 LEU 54 HD21 LEU 54 7.209 -2.521 -15.714 410 HD22 LEU 54 HD22 LEU 54 7.400 -2.772 -17.449 411 HD23 LEU 54 HD23 LEU 54 8.781 -2.277 -16.470 412 H VAL 55 H VAL 55 6.513 -9.156 -15.375 413 HA VAL 55 HA VAL 55 3.626 -8.813 -15.262 414 HB VAL 55 HB VAL 55 4.710 -10.495 -16.773 415 HG11 VAL 55 HG11 VAL 55 5.394 -12.007 -14.224 416 HG12 VAL 55 HG12 VAL 55 6.543 -11.249 -15.326 417 HG13 VAL 55 HG13 VAL 55 5.584 -12.627 -15.866 418 HG21 VAL 55 HG21 VAL 55 3.117 -12.360 -16.366 419 HG22 VAL 55 HG22 VAL 55 2.337 -10.786 -16.199 420 HG23 VAL 55 HG23 VAL 55 2.772 -11.709 -14.760 421 H ILE 56 H ILE 56 6.143 -9.317 -12.918 422 HA ILE 56 HA ILE 56 4.588 -10.925 -11.048 423 HB ILE 56 HB ILE 56 7.323 -9.636 -10.660 424 HG12 ILE 56 HG12 ILE 56 7.343 -11.153 -12.601 425 HG13 ILE 56 HG11 ILE 56 8.280 -11.843 -11.286 426 HG21 ILE 56 HG21 ILE 56 6.398 -10.283 -8.488 427 HG22 ILE 56 HG22 ILE 56 7.719 -11.367 -8.916 428 HG23 ILE 56 HG23 ILE 56 6.046 -11.906 -9.084 429 HD11 ILE 56 HD11 ILE 56 6.986 -13.534 -12.420 430 HD12 ILE 56 HD12 ILE 56 5.490 -12.660 -12.102 431 HD13 ILE 56 HD13 ILE 56 6.412 -13.353 -10.763 432 H ARG 57 H ARG 57 4.097 -7.848 -11.800 433 HA ARG 57 HA ARG 57 3.938 -6.297 -9.501 434 HB2 ARG 57 HB3 ARG 57 2.129 -5.056 -10.644 435 HB3 ARG 57 HB2 ARG 57 3.436 -5.443 -11.758 436 HG2 ARG 57 HG3 ARG 57 2.078 -7.368 -12.614 437 HG3 ARG 57 HG2 ARG 57 0.756 -6.859 -11.563 438 HD2 ARG 57 HD3 ARG 57 0.362 -6.070 -13.837 439 HD3 ARG 57 HD2 ARG 57 0.654 -4.693 -12.771 440 HE ARG 57 HE ARG 57 2.969 -4.677 -13.658 441 HH11 ARG 57 HH11 ARG 57 0.553 -6.163 -15.634 442 HH12 ARG 57 HH12 ARG 57 1.391 -5.787 -17.095 443 HH21 ARG 57 HH21 ARG 57 3.985 -4.183 -15.513 444 HH22 ARG 57 HH22 ARG 57 3.318 -4.682 -17.029 445 H LYS 58 H LYS 58 1.978 -9.092 -10.329 446 HA LYS 58 HA LYS 58 -0.256 -8.619 -8.627 447 HB2 LYS 58 HB3 LYS 58 0.820 -11.205 -9.800 448 HB3 LYS 58 HB2 LYS 58 -0.625 -11.149 -8.801 449 HG2 LYS 58 HG3 LYS 58 -1.380 -11.173 -11.046 450 HG3 LYS 58 HG2 LYS 58 -1.617 -9.523 -10.470 451 HD2 LYS 58 HD3 LYS 58 0.409 -8.801 -11.656 452 HD3 LYS 58 HD2 LYS 58 0.726 -10.456 -12.177 453 HE2 LYS 58 HE3 LYS 58 -1.713 -8.822 -12.958 454 HE3 LYS 58 HE2 LYS 58 -0.282 -9.059 -13.963 455 HZ1 LYS 58 HZ1 LYS 58 -2.082 -10.570 -14.543 456 HZ2 LYS 58 HZ2 LYS 58 -2.056 -11.231 -12.989 457 HZ3 LYS 58 HZ3 LYS 58 -0.718 -11.415 -14.009 458 H ARG 59 H ARG 59 2.908 -9.952 -7.992 459 HA ARG 59 HA ARG 59 2.282 -10.541 -5.183 460 HB2 ARG 59 HB3 ARG 59 3.814 -12.045 -6.408 461 HB3 ARG 59 HB2 ARG 59 4.898 -10.699 -6.747 462 HG2 ARG 59 HG3 ARG 59 5.409 -10.484 -4.344 463 HG3 ARG 59 HG2 ARG 59 4.269 -11.783 -3.975 464 HD2 ARG 59 HD3 ARG 59 5.656 -13.351 -5.310 465 HD3 ARG 59 HD2 ARG 59 6.806 -12.046 -5.623 466 HE ARG 59 HE ARG 59 6.657 -12.131 -2.906 467 HH11 ARG 59 HH11 ARG 59 7.310 -14.593 -5.249 468 HH12 ARG 59 HH12 ARG 59 8.390 -15.436 -4.198 469 HH21 ARG 59 HH21 ARG 59 8.018 -13.234 -1.594 470 HH22 ARG 59 HH22 ARG 59 8.786 -14.675 -2.164 471 H LYS 60 H LYS 60 4.138 -8.253 -7.153 472 HA LYS 60 HA LYS 60 5.610 -7.063 -5.070 473 HB2 LYS 60 HB3 LYS 60 5.043 -6.121 -7.897 474 HB3 LYS 60 HB2 LYS 60 6.147 -5.278 -6.806 475 HG2 LYS 60 HG3 LYS 60 7.547 -7.284 -6.626 476 HG3 LYS 60 HG2 LYS 60 6.440 -8.176 -7.676 477 HD2 LYS 60 HD3 LYS 60 6.988 -6.756 -9.562 478 HD3 LYS 60 HD2 LYS 60 7.939 -5.675 -8.539 479 HE2 LYS 60 HE3 LYS 60 9.512 -7.546 -8.084 480 HE3 LYS 60 HE2 LYS 60 8.594 -8.565 -9.190 481 HZ1 LYS 60 HZ1 LYS 60 9.096 -6.799 -10.884 482 HZ2 LYS 60 HZ2 LYS 60 10.380 -7.780 -10.384 483 HZ3 LYS 60 HZ3 LYS 60 10.237 -6.203 -9.779 484 H VAL 61 H VAL 61 2.525 -5.917 -6.556 485 HA VAL 61 HA VAL 61 2.397 -3.440 -5.157 486 HB VAL 61 HB VAL 61 0.060 -5.159 -6.103 487 HG11 VAL 61 HG11 VAL 61 0.084 -2.194 -5.408 488 HG12 VAL 61 HG12 VAL 61 -0.706 -3.471 -4.481 489 HG13 VAL 61 HG13 VAL 61 -1.283 -3.074 -6.101 490 HG21 VAL 61 HG21 VAL 61 0.017 -3.745 -8.121 491 HG22 VAL 61 HG22 VAL 61 1.558 -4.590 -7.967 492 HG23 VAL 61 HG23 VAL 61 1.446 -2.880 -7.551 493 H GLY 62 H GLY 62 1.238 -6.707 -4.335 494 HA2 GLY 62 HA3 GLY 62 -0.088 -6.119 -1.912 495 HA3 GLY 62 HA2 GLY 62 0.564 -7.684 -2.371 496 H VAL 63 H VAL 63 3.265 -7.239 -2.475 497 HA VAL 63 HA VAL 63 4.146 -7.088 0.230 498 HB VAL 63 HB VAL 63 5.823 -6.773 -2.306 499 HG11 VAL 63 HG11 VAL 63 7.055 -6.026 -0.305 500 HG12 VAL 63 HG12 VAL 63 7.733 -7.534 -0.916 501 HG13 VAL 63 HG13 VAL 63 6.693 -7.551 0.510 502 HG21 VAL 63 HG21 VAL 63 5.155 -9.314 -0.757 503 HG22 VAL 63 HG22 VAL 63 6.265 -9.209 -2.126 504 HG23 VAL 63 HG23 VAL 63 4.548 -8.884 -2.358 505 H LEU 64 H LEU 64 3.984 -4.701 -2.376 506 HA LEU 64 HA LEU 64 5.573 -2.678 -1.195 507 HB2 LEU 64 HB3 LEU 64 5.044 -2.801 -3.632 508 HB3 LEU 64 HB2 LEU 64 3.387 -2.343 -3.280 509 HG LEU 64 HG LEU 64 4.170 -0.132 -2.443 510 HD11 LEU 64 HD11 LEU 64 6.389 -0.749 -1.619 511 HD12 LEU 64 HD12 LEU 64 6.494 0.592 -2.755 512 HD13 LEU 64 HD13 LEU 64 6.947 -1.034 -3.271 513 HD21 LEU 64 HD21 LEU 64 4.807 0.838 -4.614 514 HD22 LEU 64 HD22 LEU 64 3.510 -0.340 -4.797 515 HD23 LEU 64 HD23 LEU 64 5.163 -0.774 -5.241 516 H LEU 65 H LEU 65 2.047 -3.299 -1.034 517 HA LEU 65 HA LEU 65 1.211 -0.973 0.324 518 HB2 LEU 65 HB3 LEU 65 0.161 -3.826 0.540 519 HB3 LEU 65 HB2 LEU 65 -0.666 -2.431 1.218 520 HG LEU 65 HG LEU 65 -0.123 -2.854 -1.751 521 HD11 LEU 65 HD11 LEU 65 -2.741 -3.141 -0.240 522 HD12 LEU 65 HD12 LEU 65 -1.785 -4.458 -0.926 523 HD13 LEU 65 HD13 LEU 65 -2.526 -3.267 -1.991 524 HD21 LEU 65 HD21 LEU 65 -1.721 -0.685 -0.352 525 HD22 LEU 65 HD22 LEU 65 -1.600 -0.913 -2.099 526 HD23 LEU 65 HD23 LEU 65 -0.170 -0.478 -1.170 527 H ASP 66 H ASP 66 2.453 -4.029 1.591 528 HA ASP 66 HA ASP 66 2.379 -3.531 4.356 529 HB2 ASP 66 HB3 ASP 66 2.671 -5.766 3.385 530 HB3 ASP 66 HB2 ASP 66 4.216 -5.300 2.686 531 H ILE 67 H ILE 67 4.961 -2.916 1.961 532 HA ILE 67 HA ILE 67 6.904 -1.812 3.727 533 HB ILE 67 HB ILE 67 6.543 -1.296 0.740 534 HG12 ILE 67 HG12 ILE 67 8.382 -3.335 2.088 535 HG13 ILE 67 HG11 ILE 67 6.823 -3.743 1.378 536 HG21 ILE 67 HG21 ILE 67 8.983 -0.856 2.508 537 HG22 ILE 67 HG22 ILE 67 8.003 0.401 1.747 538 HG23 ILE 67 HG23 ILE 67 8.962 -0.693 0.751 539 HD11 ILE 67 HD11 ILE 67 9.195 -2.623 -0.117 540 HD12 ILE 67 HD12 ILE 67 7.639 -3.071 -0.823 541 HD13 ILE 67 HD13 ILE 67 8.670 -4.306 -0.101 542 H LEU 68 H LEU 68 4.382 -0.311 1.726 543 HA LEU 68 HA LEU 68 5.028 2.406 2.292 544 HB2 LEU 68 HB3 LEU 68 2.503 1.165 1.154 545 HB3 LEU 68 HB2 LEU 68 2.755 2.896 1.294 546 HG LEU 68 HG LEU 68 4.361 1.002 -0.465 547 HD11 LEU 68 HD11 LEU 68 2.096 1.387 -1.318 548 HD12 LEU 68 HD12 LEU 68 3.299 2.151 -2.353 549 HD13 LEU 68 HD13 LEU 68 2.342 3.137 -1.242 550 HD21 LEU 68 HD21 LEU 68 5.463 3.007 -1.366 551 HD22 LEU 68 HD22 LEU 68 5.799 2.809 0.350 552 HD23 LEU 68 HD23 LEU 68 4.626 4.016 -0.183 553 H GLN 69 H GLN 69 3.080 -0.013 3.948 554 HA GLN 69 HA GLN 69 1.509 1.547 5.620 555 HB2 GLN 69 HB3 GLN 69 1.477 -0.942 5.559 556 HB3 GLN 69 HB2 GLN 69 2.989 -0.976 6.459 557 HG2 GLN 69 HG3 GLN 69 1.932 -0.037 8.420 558 HG3 GLN 69 HG2 GLN 69 0.452 0.309 7.530 559 HE21 GLN 69 HE21 GLN 69 0.696 -1.196 9.948 560 HE22 GLN 69 HE22 GLN 69 0.099 -2.781 9.616 561 H ARG 70 H ARG 70 4.968 1.074 5.784 562 HA ARG 70 HA ARG 70 5.531 2.144 8.345 563 HB2 ARG 70 HB3 ARG 70 7.273 2.107 5.854 564 HB3 ARG 70 HB2 ARG 70 7.852 2.425 7.488 565 HG2 ARG 70 HG3 ARG 70 7.138 0.120 8.149 566 HG3 ARG 70 HG2 ARG 70 6.665 -0.182 6.472 567 HD2 ARG 70 HD3 ARG 70 8.883 -1.132 6.927 568 HD3 ARG 70 HD2 ARG 70 9.011 0.179 5.750 569 HE ARG 70 HE ARG 70 9.475 1.412 8.129 570 HH11 ARG 70 HH11 ARG 70 10.990 -1.291 6.585 571 HH12 ARG 70 HH12 ARG 70 12.493 -1.017 7.389 572 HH21 ARG 70 HH21 ARG 70 11.388 1.741 9.114 573 HH22 ARG 70 HH22 ARG 70 12.717 0.682 8.802 574 H THR 71 H THR 71 4.421 3.790 5.524 575 HA THR 71 HA THR 71 5.512 6.418 6.277 576 HB THR 71 HB THR 71 4.532 7.308 4.272 577 HG1 THR 71 HG1 THR 71 3.216 5.022 3.419 578 HG21 THR 71 HG21 THR 71 5.365 5.840 2.475 579 HG22 THR 71 HG22 THR 71 5.437 4.482 3.601 580 HG23 THR 71 HG23 THR 71 6.503 5.872 3.822 581 H GLY 72 H GLY 72 2.837 4.509 7.150 582 HA2 GLY 72 HA3 GLY 72 1.068 4.927 8.541 583 HA3 GLY 72 HA2 GLY 72 1.575 6.604 8.664 584 H HIS 73 H HIS 73 1.029 7.996 6.669 585 HA HIS 73 HA HIS 73 -1.481 7.201 5.373 586 HB2 HIS 73 HB2 HIS 73 -1.371 8.907 7.718 587 HB3 HIS 73 HB1 HIS 73 -1.906 9.891 6.362 588 HD2 HIS 73 HD2 HIS 73 -4.562 9.931 6.319 589 HE1 HIS 73 HE1 HIS 73 -5.286 6.001 7.703 590 HE2 HIS 73 HE2 HIS 73 -6.332 8.240 7.182 591 H LYS 74 H LYS 74 1.323 9.304 5.421 592 HA LYS 74 HA LYS 74 0.646 11.004 3.262 593 HB2 LYS 74 HB3 LYS 74 2.523 11.453 4.804 594 HB3 LYS 74 HB2 LYS 74 3.401 10.067 4.162 595 HG2 LYS 74 HG3 LYS 74 3.603 11.152 1.981 596 HG3 LYS 74 HG2 LYS 74 2.597 12.495 2.529 597 HD2 LYS 74 HD3 LYS 74 4.966 13.130 2.531 598 HD3 LYS 74 HD2 LYS 74 4.318 13.135 4.172 599 HE2 LYS 74 HE3 LYS 74 5.382 10.947 4.606 600 HE3 LYS 74 HE2 LYS 74 6.000 10.911 2.951 601 HZ1 LYS 74 HZ1 LYS 74 7.295 12.882 3.429 602 HZ2 LYS 74 HZ2 LYS 74 7.675 11.643 4.512 603 HZ3 LYS 74 HZ3 LYS 74 6.698 12.929 5.012 604 H GLY 75 H GLY 75 2.352 7.862 3.284 605 HA2 GLY 75 HA3 GLY 75 2.655 7.595 0.444 606 HA3 GLY 75 HA2 GLY 75 2.777 6.310 1.636 607 H TYR 76 H TYR 76 0.042 6.911 2.664 608 HA TYR 76 HA TYR 76 -1.543 5.272 0.956 609 HB2 TYR 76 HB2 TYR 76 -1.898 5.336 3.389 610 HB3 TYR 76 HB1 TYR 76 -2.362 7.032 3.310 611 HD1 TYR 76 HD1 TYR 76 -4.660 7.342 3.631 612 HD2 TYR 76 HD2 TYR 76 -3.374 3.864 1.501 613 HE1 TYR 76 HE1 TYR 76 -7.001 6.656 3.340 614 HE2 TYR 76 HE2 TYR 76 -5.718 3.180 1.212 615 HH TYR 76 HH TYR 76 -7.901 3.552 2.254 616 H VAL 77 H VAL 77 -1.511 8.789 1.602 617 HA VAL 77 HA VAL 77 -3.518 9.568 -0.228 618 HB VAL 77 HB VAL 77 -1.091 11.157 0.732 619 HG11 VAL 77 HG11 VAL 77 -2.009 12.180 -1.309 620 HG12 VAL 77 HG12 VAL 77 -2.385 13.187 0.089 621 HG13 VAL 77 HG13 VAL 77 -3.632 12.159 -0.617 622 HG21 VAL 77 HG21 VAL 77 -2.547 10.414 2.587 623 HG22 VAL 77 HG22 VAL 77 -3.949 11.125 1.787 624 HG23 VAL 77 HG23 VAL 77 -2.646 12.163 2.373 625 H ALA 78 H ALA 78 0.033 9.281 -0.619 626 HA ALA 78 HA ALA 78 0.281 9.966 -3.330 627 HB1 ALA 78 HB1 ALA 78 2.217 9.693 -1.841 628 HB2 ALA 78 HB2 ALA 78 2.401 8.709 -3.294 629 HB3 ALA 78 HB3 ALA 78 1.935 7.952 -1.767 630 H PHE 79 H PHE 79 -0.430 6.809 -1.842 631 HA PHE 79 HA PHE 79 -0.558 5.188 -4.145 632 HB2 PHE 79 HB2 PHE 79 -0.461 4.220 -1.906 633 HB3 PHE 79 HB1 PHE 79 -1.982 4.977 -1.453 634 HD1 PHE 79 HD1 PHE 79 -4.022 3.774 -1.729 635 HD2 PHE 79 HD2 PHE 79 -0.517 2.452 -3.801 636 HE1 PHE 79 HE1 PHE 79 -5.212 1.746 -2.463 637 HE2 PHE 79 HE2 PHE 79 -1.715 0.432 -4.522 638 HZ PHE 79 HZ PHE 79 -4.058 0.077 -3.858 639 H LEU 80 H LEU 80 -3.118 7.048 -2.472 640 HA LEU 80 HA LEU 80 -5.275 6.293 -4.164 641 HB2 LEU 80 HB3 LEU 80 -4.991 8.738 -2.383 642 HB3 LEU 80 HB2 LEU 80 -6.494 8.203 -3.125 643 HG LEU 80 HG LEU 80 -4.912 6.658 -1.030 644 HD11 LEU 80 HD11 LEU 80 -6.781 7.147 0.482 645 HD12 LEU 80 HD12 LEU 80 -7.550 8.127 -0.770 646 HD13 LEU 80 HD13 LEU 80 -6.000 8.624 -0.084 647 HD21 LEU 80 HD21 LEU 80 -6.826 5.099 -0.975 648 HD22 LEU 80 HD22 LEU 80 -6.026 5.100 -2.544 649 HD23 LEU 80 HD23 LEU 80 -7.559 5.949 -2.338 650 H GLU 81 H GLU 81 -2.998 9.018 -4.302 651 HA GLU 81 HA GLU 81 -4.252 10.404 -6.476 652 HB2 GLU 81 HB3 GLU 81 -1.418 10.536 -5.388 653 HB3 GLU 81 HB2 GLU 81 -2.046 11.621 -6.628 654 HG2 GLU 81 HG3 GLU 81 -3.698 12.511 -5.059 655 HG3 GLU 81 HG2 GLU 81 -3.165 11.377 -3.817 656 H SER 82 H SER 82 -1.655 7.960 -6.275 657 HA SER 82 HA SER 82 -0.998 7.711 -9.001 658 HB2 SER 82 HB3 SER 82 -1.127 5.542 -6.860 659 HB3 SER 82 HB2 SER 82 -0.380 5.326 -8.445 660 HG SER 82 HG SER 82 0.487 6.792 -6.241 661 H LEU 83 H LEU 83 -3.588 6.127 -7.111 662 HA LEU 83 HA LEU 83 -4.796 4.729 -9.259 663 HB2 LEU 83 HB3 LEU 83 -5.998 5.709 -6.644 664 HB3 LEU 83 HB2 LEU 83 -6.822 4.635 -7.765 665 HG LEU 83 HG LEU 83 -4.314 4.002 -6.163 666 HD11 LEU 83 HD11 LEU 83 -7.116 2.837 -6.013 667 HD12 LEU 83 HD12 LEU 83 -6.360 3.907 -4.829 668 HD13 LEU 83 HD13 LEU 83 -5.718 2.286 -5.082 669 HD21 LEU 83 HD21 LEU 83 -4.095 2.976 -8.361 670 HD22 LEU 83 HD22 LEU 83 -5.715 2.286 -8.239 671 HD23 LEU 83 HD23 LEU 83 -4.436 1.740 -7.153 672 H GLU 84 H GLU 84 -5.361 8.004 -7.957 673 HA GLU 84 HA GLU 84 -7.757 8.543 -9.388 674 HB2 GLU 84 HB3 GLU 84 -7.024 9.746 -7.325 675 HB3 GLU 84 HB2 GLU 84 -5.740 10.522 -8.247 676 HG2 GLU 84 HG3 GLU 84 -7.422 11.661 -9.643 677 HG3 GLU 84 HG2 GLU 84 -8.716 10.856 -8.753 678 H LEU 85 H LEU 85 -4.352 9.155 -10.086 679 HA LEU 85 HA LEU 85 -4.814 10.698 -12.490 680 HB2 LEU 85 HB3 LEU 85 -2.860 10.875 -10.774 681 HB3 LEU 85 HB2 LEU 85 -2.165 9.502 -11.605 682 HG LEU 85 HG LEU 85 -2.748 12.190 -12.934 683 HD11 LEU 85 HD11 LEU 85 -0.109 11.138 -11.855 684 HD12 LEU 85 HD12 LEU 85 -1.062 12.458 -11.175 685 HD13 LEU 85 HD13 LEU 85 -0.332 12.636 -12.768 686 HD21 LEU 85 HD21 LEU 85 -1.234 11.406 -14.739 687 HD22 LEU 85 HD22 LEU 85 -2.650 10.371 -14.585 688 HD23 LEU 85 HD23 LEU 85 -1.097 9.835 -13.941 689 H TYR 86 H TYR 86 -3.483 7.442 -11.769 690 HA TYR 86 HA TYR 86 -3.119 6.896 -14.625 691 HB2 TYR 86 HB2 TYR 86 -2.205 5.379 -12.153 692 HB3 TYR 86 HB1 TYR 86 -1.824 4.910 -13.808 693 HD1 TYR 86 HD1 TYR 86 -1.075 7.326 -11.112 694 HD2 TYR 86 HD2 TYR 86 -0.236 6.273 -15.174 695 HE1 TYR 86 HE1 TYR 86 0.876 8.826 -11.102 696 HE2 TYR 86 HE2 TYR 86 1.719 7.767 -15.148 697 HH TYR 86 HH TYR 86 3.072 9.017 -12.373 698 H TYR 87 H TYR 87 -5.237 5.787 -12.024 699 HA TYR 87 HA TYR 87 -6.664 4.029 -13.950 700 HB2 TYR 87 HB2 TYR 87 -5.988 3.267 -11.071 701 HB3 TYR 87 HB1 TYR 87 -7.006 2.322 -12.150 702 HD1 TYR 87 HD1 TYR 87 -3.705 2.663 -10.893 703 HD2 TYR 87 HD2 TYR 87 -5.846 1.613 -14.448 704 HE1 TYR 87 HE1 TYR 87 -1.741 1.427 -11.717 705 HE2 TYR 87 HE2 TYR 87 -3.882 0.373 -15.260 706 HH TYR 87 HH TYR 87 -1.484 -0.674 -13.488 707 HA PRO 88 HA PRO 88 -9.349 7.377 -11.678 708 HB2 PRO 88 HB3 PRO 88 -10.633 7.108 -14.410 709 HB3 PRO 88 HB2 PRO 88 -10.461 8.547 -13.389 710 HG2 PRO 88 HG3 PRO 88 -8.796 8.199 -15.422 711 HG3 PRO 88 HG2 PRO 88 -8.157 8.763 -13.860 712 HD2 PRO 88 HD3 PRO 88 -7.983 6.028 -15.108 713 HD3 PRO 88 HD2 PRO 88 -6.785 6.898 -14.127 714 H GLN 89 H GLN 89 -10.319 4.520 -13.558 715 HA GLN 89 HA GLN 89 -12.926 4.190 -12.435 716 HB2 GLN 89 HB3 GLN 89 -11.121 2.096 -13.715 717 HB3 GLN 89 HB2 GLN 89 -12.850 1.920 -13.419 718 HG2 GLN 89 HG3 GLN 89 -13.319 3.740 -15.008 719 HG3 GLN 89 HG2 GLN 89 -11.591 3.954 -15.294 720 HE21 GLN 89 HE21 GLN 89 -10.474 2.331 -16.499 721 HE22 GLN 89 HE22 GLN 89 -11.325 1.194 -17.478 722 H LEU 90 H LEU 90 -9.842 2.424 -11.810 723 HA LEU 90 HA LEU 90 -10.744 0.773 -9.733 724 HB2 LEU 90 HB3 LEU 90 -8.625 0.389 -10.946 725 HB3 LEU 90 HB2 LEU 90 -7.926 1.816 -10.202 726 HG LEU 90 HG LEU 90 -8.084 0.711 -7.956 727 HD11 LEU 90 HD11 LEU 90 -9.031 -1.729 -9.491 728 HD12 LEU 90 HD12 LEU 90 -9.981 -0.775 -8.346 729 HD13 LEU 90 HD13 LEU 90 -8.584 -1.687 -7.784 730 HD21 LEU 90 HD21 LEU 90 -6.248 -0.872 -8.259 731 HD22 LEU 90 HD22 LEU 90 -5.995 0.564 -9.250 732 HD23 LEU 90 HD23 LEU 90 -6.556 -0.933 -9.995 733 H TYR 91 H TYR 91 -9.267 4.002 -9.565 734 HA TYR 91 HA TYR 91 -8.899 4.438 -6.871 735 HB2 TYR 91 HB2 TYR 91 -8.275 6.115 -8.496 736 HB3 TYR 91 HB1 TYR 91 -9.943 6.343 -9.004 737 HD1 TYR 91 HD1 TYR 91 -7.643 6.805 -6.076 738 HD2 TYR 91 HD2 TYR 91 -11.290 8.027 -7.940 739 HE1 TYR 91 HE1 TYR 91 -7.878 8.629 -4.446 740 HE2 TYR 91 HE2 TYR 91 -11.510 9.851 -6.315 741 HH TYR 91 HH TYR 91 -9.034 10.919 -4.416 742 H LYS 92 H LYS 92 -11.904 5.048 -8.673 743 HA LYS 92 HA LYS 92 -13.466 5.931 -6.479 744 HB2 LYS 92 HB3 LYS 92 -14.325 4.810 -9.173 745 HB3 LYS 92 HB2 LYS 92 -15.388 5.656 -8.048 746 HG2 LYS 92 HG3 LYS 92 -13.985 7.690 -8.268 747 HG3 LYS 92 HG2 LYS 92 -12.953 6.840 -9.424 748 HD2 LYS 92 HD3 LYS 92 -14.890 6.578 -10.952 749 HD3 LYS 92 HD2 LYS 92 -15.921 7.424 -9.794 750 HE2 LYS 92 HE3 LYS 92 -15.259 8.952 -11.565 751 HE3 LYS 92 HE2 LYS 92 -14.485 9.449 -10.058 752 HZ1 LYS 92 HZ1 LYS 92 -12.934 9.546 -11.871 753 HZ2 LYS 92 HZ2 LYS 92 -13.219 7.931 -12.274 754 HZ3 LYS 92 HZ3 LYS 92 -12.458 8.316 -10.811 755 H LYS 93 H LYS 93 -12.832 2.731 -7.774 756 HA LYS 93 HA LYS 93 -14.935 1.332 -6.409 757 HB2 LYS 93 HB3 LYS 93 -13.858 0.436 -8.460 758 HB3 LYS 93 HB2 LYS 93 -12.333 0.287 -7.607 759 HG2 LYS 93 HG3 LYS 93 -13.127 -1.906 -7.628 760 HG3 LYS 93 HG2 LYS 93 -13.604 -1.355 -6.026 761 HD2 LYS 93 HD3 LYS 93 -15.477 -1.395 -8.435 762 HD3 LYS 93 HD2 LYS 93 -15.337 -2.722 -7.290 763 HE2 LYS 93 HE3 LYS 93 -16.302 0.087 -6.658 764 HE3 LYS 93 HE2 LYS 93 -17.306 -1.355 -6.802 765 HZ1 LYS 93 HZ1 LYS 93 -16.108 -2.299 -4.911 766 HZ2 LYS 93 HZ2 LYS 93 -16.883 -0.854 -4.506 767 HZ3 LYS 93 HZ3 LYS 93 -15.213 -0.873 -4.754 768 H VAL 94 H VAL 94 -11.502 1.930 -5.698 769 HA VAL 94 HA VAL 94 -11.399 0.290 -3.324 770 HB VAL 94 HB VAL 94 -9.438 2.404 -4.329 771 HG11 VAL 94 HG11 VAL 94 -9.030 1.933 -1.953 772 HG12 VAL 94 HG12 VAL 94 -7.738 1.241 -2.936 773 HG13 VAL 94 HG13 VAL 94 -9.001 0.197 -2.277 774 HG21 VAL 94 HG21 VAL 94 -9.421 -0.607 -4.767 775 HG22 VAL 94 HG22 VAL 94 -8.182 0.526 -5.311 776 HG23 VAL 94 HG23 VAL 94 -9.808 0.612 -5.985 777 H THR 95 H THR 95 -11.810 3.763 -3.937 778 HA THR 95 HA THR 95 -11.756 4.502 -1.107 779 HB THR 95 HB THR 95 -12.147 6.828 -1.906 780 HG1 THR 95 HG1 THR 95 -11.812 6.282 -4.581 781 HG21 THR 95 HG21 THR 95 -9.954 5.400 -3.464 782 HG22 THR 95 HG22 THR 95 -9.812 6.021 -1.816 783 HG23 THR 95 HG23 THR 95 -10.040 7.138 -3.162 784 H GLY 96 H GLY 96 -14.157 3.554 -3.398 785 HA2 GLY 96 HA3 GLY 96 -16.438 3.177 -3.007 786 HA3 GLY 96 HA2 GLY 96 -16.365 4.168 -1.560 787 H LYS 97 H LYS 97 -14.868 6.085 -3.676 788 HA LYS 97 HA LYS 97 -17.069 7.868 -4.091 789 HB2 LYS 97 HB3 LYS 97 -14.221 7.895 -5.182 790 HB3 LYS 97 HB2 LYS 97 -15.356 9.236 -5.330 791 HG2 LYS 97 HG3 LYS 97 -15.385 9.538 -2.905 792 HG3 LYS 97 HG2 LYS 97 -14.381 8.102 -2.686 793 HD2 LYS 97 HD3 LYS 97 -13.038 10.149 -2.442 794 HD3 LYS 97 HD2 LYS 97 -12.506 9.212 -3.840 795 HE2 LYS 97 HE3 LYS 97 -13.722 10.740 -5.344 796 HE3 LYS 97 HE2 LYS 97 -14.313 11.659 -3.957 797 HZ1 LYS 97 HZ1 LYS 97 -12.393 12.677 -5.062 798 HZ2 LYS 97 HZ2 LYS 97 -11.450 11.333 -4.659 799 HZ3 LYS 97 HZ3 LYS 97 -12.090 12.313 -3.440
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