NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579840 | 2mbe | 19397 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 1.027 44.885 0.141 2 H2 LEU 1 H2 LEU 1 2.204 44.066 0.873 3 H3 LEU 1 H3 LEU 1 2.177 45.711 0.979 4 HA LEU 1 HA LEU 1 2.551 45.948 -1.410 5 HB2 LEU 1 HB2 LEU 1 4.701 44.095 -0.288 6 HB3 LEU 1 HB3 LEU 1 4.875 45.348 -1.496 7 HG LEU 1 HG LEU 1 4.232 45.846 1.439 8 HD11 LEU 1 HD11 LEU 1 6.533 46.658 1.595 9 HD12 LEU 1 HD12 LEU 1 6.537 44.979 1.029 10 HD13 LEU 1 HD13 LEU 1 6.776 46.287 -0.128 11 HD21 LEU 1 HD21 LEU 1 4.684 48.205 0.891 12 HD22 LEU 1 HD22 LEU 1 4.852 47.769 -0.834 13 HD23 LEU 1 HD23 LEU 1 3.289 47.608 -0.004 14 H CYS 2 H CYS 2 4.151 44.018 -2.939 15 HA CYS 2 HA CYS 2 2.431 41.611 -3.100 16 HB2 CYS 2 HB2 CYS 2 2.472 41.802 -5.579 17 HB3 CYS 2 HB3 CYS 2 1.528 43.083 -4.806 18 HG CYS 2 HG CYS 2 2.679 44.115 -6.847 19 H VAL 3 H VAL 3 3.508 39.791 -3.948 20 HA VAL 3 HA VAL 3 6.488 39.989 -4.118 21 HB VAL 3 HB VAL 3 6.856 38.176 -2.755 22 HG11 VAL 3 HG11 VAL 3 6.142 38.676 -0.590 23 HG12 VAL 3 HG12 VAL 3 6.057 40.224 -1.455 24 HG13 VAL 3 HG13 VAL 3 4.579 39.290 -1.143 25 HG21 VAL 3 HG21 VAL 3 5.144 36.730 -1.608 26 HG22 VAL 3 HG22 VAL 3 3.929 37.445 -2.680 27 HG23 VAL 3 HG23 VAL 3 5.276 36.486 -3.340 28 H HIS 4 H HIS 4 7.370 38.548 -5.512 29 HA HIS 4 HA HIS 4 5.487 37.443 -7.551 30 HB2 HIS 4 HB2 HIS 4 8.424 38.316 -7.805 31 HB3 HIS 4 HB3 HIS 4 7.341 37.902 -9.108 32 HD2 HIS 4 HD2 HIS 4 8.885 40.799 -7.652 33 HE1 HIS 4 HE1 HIS 4 5.139 42.313 -9.035 34 HE2 HIS 4 HE2 HIS 4 7.460 42.957 -8.211 35 H VAL 5 H VAL 5 6.029 35.419 -8.401 36 HA VAL 5 HA VAL 5 8.075 33.811 -6.957 37 HB VAL 5 HB VAL 5 6.365 31.976 -7.123 38 HG11 VAL 5 HG11 VAL 5 5.306 32.580 -4.997 39 HG12 VAL 5 HG12 VAL 5 7.013 33.054 -5.013 40 HG13 VAL 5 HG13 VAL 5 5.743 34.276 -5.241 41 HG21 VAL 5 HG21 VAL 5 3.989 32.419 -7.028 42 HG22 VAL 5 HG22 VAL 5 4.238 34.149 -7.292 43 HG23 VAL 5 HG23 VAL 5 4.628 32.981 -8.563 44 H ARG 6 H ARG 6 9.153 32.455 -8.090 45 HA ARG 6 HA ARG 6 9.144 32.663 -11.048 46 HB2 ARG 6 HB2 ARG 6 11.005 31.274 -9.042 47 HB3 ARG 6 HB3 ARG 6 11.337 31.327 -10.742 48 HG2 ARG 6 HG2 ARG 6 11.087 33.926 -9.217 49 HG3 ARG 6 HG3 ARG 6 12.524 32.953 -9.047 50 HD2 ARG 6 HD2 ARG 6 12.068 33.081 -11.856 51 HD3 ARG 6 HD3 ARG 6 11.800 34.708 -11.230 52 HE ARG 6 HE ARG 6 14.189 33.710 -10.071 53 HH11 ARG 6 HH11 ARG 6 13.108 34.806 -13.200 54 HH12 ARG 6 HH12 ARG 6 14.710 35.232 -13.717 55 HH21 ARG 6 HH21 ARG 6 16.220 34.259 -10.787 56 HH22 ARG 6 HH22 ARG 6 16.434 34.921 -12.361 57 H SER 7 H SER 7 9.781 30.434 -12.110 58 HA SER 7 HA SER 7 9.317 28.366 -12.649 59 HB2 SER 7 HB2 SER 7 9.427 27.884 -10.133 60 HB3 SER 7 HB3 SER 7 7.667 27.656 -10.294 61 HG SER 7 HG SER 7 8.578 25.742 -10.683 62 H GLU 8 H GLU 8 6.949 26.865 -12.652 63 HA GLU 8 HA GLU 8 5.056 28.663 -14.074 64 HB2 GLU 8 HB2 GLU 8 5.079 25.639 -13.562 65 HB3 GLU 8 HB3 GLU 8 3.795 26.507 -14.393 66 HG2 GLU 8 HG2 GLU 8 5.677 27.375 -15.966 67 HG3 GLU 8 HG3 GLU 8 6.628 26.040 -15.319 68 H GLU 9 H GLU 9 4.323 29.932 -12.531 69 HA GLU 9 HA GLU 9 2.700 28.890 -10.300 70 HB2 GLU 9 HB2 GLU 9 2.651 31.222 -9.548 71 HB3 GLU 9 HB3 GLU 9 4.297 30.669 -9.744 72 HG2 GLU 9 HG2 GLU 9 4.752 32.493 -10.918 73 HG3 GLU 9 HG3 GLU 9 3.710 31.945 -12.212 74 H TRP 10 H TRP 10 0.539 29.239 -10.286 75 HA TRP 10 HA TRP 10 -0.774 29.865 -12.889 76 HB2 TRP 10 HB2 TRP 10 -1.918 28.497 -10.422 77 HB3 TRP 10 HB3 TRP 10 -2.646 28.572 -12.010 78 HD1 TRP 10 HD1 TRP 10 0.159 27.560 -13.472 79 HE1 TRP 10 HE1 TRP 10 0.709 25.056 -13.355 80 HE3 TRP 10 HE3 TRP 10 -2.804 26.234 -9.512 81 HZ2 TRP 10 HZ2 TRP 10 -0.141 22.734 -11.847 82 HZ3 TRP 10 HZ3 TRP 10 -2.885 23.876 -8.734 83 HH2 TRP 10 HH2 TRP 10 -1.574 22.123 -9.882 84 H ASP 11 H ASP 11 -0.401 31.002 -9.659 85 HA ASP 11 HA ASP 11 -2.160 33.272 -10.156 86 HB2 ASP 11 HB2 ASP 11 -3.404 31.481 -8.763 87 HB3 ASP 11 HB3 ASP 11 -2.185 31.696 -7.521 88 H LEU 12 H LEU 12 -1.394 35.064 -9.110 89 HA LEU 12 HA LEU 12 1.432 35.044 -8.382 90 HB2 LEU 12 HB2 LEU 12 1.150 37.498 -8.248 91 HB3 LEU 12 HB3 LEU 12 0.544 36.882 -9.764 92 HG LEU 12 HG LEU 12 -1.625 37.072 -7.741 93 HD11 LEU 12 HD11 LEU 12 -1.748 39.516 -7.638 94 HD12 LEU 12 HD12 LEU 12 -0.284 38.916 -6.844 95 HD13 LEU 12 HD13 LEU 12 -0.175 39.656 -8.457 96 HD21 LEU 12 HD21 LEU 12 -2.754 38.319 -9.509 97 HD22 LEU 12 HD22 LEU 12 -1.233 38.444 -10.438 98 HD23 LEU 12 HD23 LEU 12 -2.003 36.860 -10.173 99 H MET 13 H MET 13 2.054 36.335 -6.390 100 HA MET 13 HA MET 13 0.289 35.693 -4.035 101 HB2 MET 13 HB2 MET 13 3.334 35.667 -4.367 102 HB3 MET 13 HB3 MET 13 2.511 35.629 -2.807 103 HG2 MET 13 HG2 MET 13 1.236 33.582 -3.895 104 HG3 MET 13 HG3 MET 13 2.721 33.468 -4.837 105 HE1 MET 13 HE1 MET 13 2.525 30.717 -1.853 106 HE2 MET 13 HE2 MET 13 1.074 31.633 -2.333 107 HE3 MET 13 HE3 MET 13 2.183 31.017 -3.570 108 H THR 14 H THR 14 0.870 37.109 -2.152 109 HA THR 14 HA THR 14 1.561 39.885 -2.896 110 HB THR 14 HB THR 14 -0.873 39.626 -3.347 111 HG1 THR 14 HG1 THR 14 -1.410 41.415 -2.020 112 HG21 THR 14 HG21 THR 14 -2.491 39.530 -1.517 113 HG22 THR 14 HG22 THR 14 -1.614 38.007 -1.632 114 HG23 THR 14 HG23 THR 14 -1.211 39.180 -0.351 115 H PHE 15 H PHE 15 1.983 41.182 -1.014 116 HA PHE 15 HA PHE 15 2.982 39.488 1.250 117 HB2 PHE 15 HB2 PHE 15 4.683 41.065 0.184 118 HB3 PHE 15 HB3 PHE 15 3.602 42.389 0.497 119 HD1 PHE 15 HD1 PHE 15 4.651 39.529 2.749 120 HD2 PHE 15 HD2 PHE 15 4.692 43.783 2.079 121 HE1 PHE 15 HE1 PHE 15 5.640 39.891 4.992 122 HE2 PHE 15 HE2 PHE 15 5.741 44.131 4.282 123 HZ PHE 15 HZ PHE 15 6.211 42.201 5.764 124 H ASP 16 H ASP 16 1.357 39.297 2.519 125 HA ASP 16 HA ASP 16 0.168 41.521 3.970 126 HB2 ASP 16 HB2 ASP 16 -1.186 40.242 1.699 127 HB3 ASP 16 HB3 ASP 16 -1.973 39.701 3.164 128 H ALA 17 H ALA 17 -1.131 40.671 5.723 129 HA ALA 17 HA ALA 17 -0.689 37.905 6.677 130 HB1 ALA 17 HB1 ALA 17 0.405 38.763 8.745 131 HB2 ALA 17 HB2 ALA 17 1.411 39.128 7.347 132 HB3 ALA 17 HB3 ALA 17 0.427 40.402 8.100 133 H ASN 18 H ASN 18 -2.309 37.354 7.933 134 HA ASN 18 HA ASN 18 -4.559 39.179 8.291 135 HB2 ASN 18 HB2 ASN 18 -4.064 36.166 8.453 136 HB3 ASN 18 HB3 ASN 18 -5.462 36.816 9.269 137 HD21 ASN 18 HD21 ASN 18 -5.823 34.945 7.272 138 HD22 ASN 18 HD22 ASN 18 -6.617 35.814 5.950 139 HA PRO 19 HA PRO 19 -3.820 39.940 12.578 140 HB2 PRO 19 HB3 PRO 19 -6.315 40.363 13.593 141 HB3 PRO 19 HB2 PRO 19 -5.604 41.399 12.313 142 HG2 PRO 19 HG3 PRO 19 -7.500 39.047 11.922 143 HG3 PRO 19 HG2 PRO 19 -7.668 40.708 11.287 144 HD2 PRO 19 HD3 PRO 19 -6.581 38.753 9.778 145 HD3 PRO 19 HD2 PRO 19 -5.916 40.402 9.743 146 H TYR 20 H TYR 20 -3.056 37.642 12.596 147 HA TYR 20 HA TYR 20 -4.064 36.356 14.935 148 HB2 TYR 20 HB2 TYR 20 -5.156 35.074 13.193 149 HB3 TYR 20 HB3 TYR 20 -3.633 34.797 12.380 150 HD1 TYR 20 HD2 TYR 20 -5.693 33.939 15.333 151 HD2 TYR 20 HD1 TYR 20 -2.109 33.031 13.122 152 HE1 TYR 20 HE2 TYR 20 -5.426 31.823 16.613 153 HE2 TYR 20 HE1 TYR 20 -1.788 30.981 14.473 154 HH TYR 20 HH TYR 20 -4.086 30.023 16.995 155 H ASP 21 H ASP 21 -1.706 34.971 12.830 156 HA ASP 21 HA ASP 21 0.567 36.226 14.031 157 HB2 ASP 21 HB2 ASP 21 -0.459 34.099 15.442 158 HB3 ASP 21 HB3 ASP 21 0.520 33.200 14.312 159 H SER 22 H SER 22 2.602 35.073 13.069 160 HA SER 22 HA SER 22 2.287 34.179 10.271 161 HB2 SER 22 HB2 SER 22 4.655 34.660 10.014 162 HB3 SER 22 HB3 SER 22 3.761 36.079 10.608 163 HG SER 22 HG SER 22 5.554 35.893 11.905 164 H VAL 23 H VAL 23 2.903 32.884 13.378 165 HA VAL 23 HA VAL 23 4.334 30.538 12.525 166 HB VAL 23 HB VAL 23 3.693 29.490 14.636 167 HG11 VAL 23 HG11 VAL 23 5.010 30.980 16.079 168 HG12 VAL 23 HG12 VAL 23 5.747 30.794 14.477 169 HG13 VAL 23 HG13 VAL 23 4.858 32.284 14.902 170 HG21 VAL 23 HG21 VAL 23 2.523 30.657 16.378 171 HG22 VAL 23 HG22 VAL 23 2.380 32.099 15.401 172 HG23 VAL 23 HG23 VAL 23 1.467 30.643 14.958 173 H LEU 24 H LEU 24 0.999 31.462 12.206 174 HA LEU 24 HA LEU 24 -0.172 28.867 12.162 175 HB2 LEU 24 HB2 LEU 24 -1.391 31.105 12.244 176 HB3 LEU 24 HB3 LEU 24 -1.101 31.262 10.525 177 HG LEU 24 HG LEU 24 -2.390 29.149 10.126 178 HD11 LEU 24 HD11 LEU 24 -3.842 28.270 11.938 179 HD12 LEU 24 HD12 LEU 24 -2.138 27.969 12.255 180 HD13 LEU 24 HD13 LEU 24 -2.979 29.282 13.107 181 HD21 LEU 24 HD21 LEU 24 -4.610 30.089 10.606 182 HD22 LEU 24 HD22 LEU 24 -3.886 31.272 11.717 183 HD23 LEU 24 HD23 LEU 24 -3.504 31.322 9.977 184 H LYS 25 H LYS 25 1.729 30.593 9.757 185 HA LYS 25 HA LYS 25 0.960 28.933 7.482 186 HB2 LYS 25 HB2 LYS 25 2.850 31.184 8.042 187 HB3 LYS 25 HB3 LYS 25 3.487 29.977 6.960 188 HG2 LYS 25 HG2 LYS 25 0.906 31.512 6.546 189 HG3 LYS 25 HG3 LYS 25 2.448 31.794 5.728 190 HD2 LYS 25 HD2 LYS 25 1.883 30.315 4.114 191 HD3 LYS 25 HD3 LYS 25 1.896 29.030 5.292 192 HE2 LYS 25 HE2 LYS 25 -0.248 28.906 4.322 193 HE3 LYS 25 HE3 LYS 25 -0.505 29.670 5.899 194 HZ1 LYS 25 HZ1 LYS 25 -1.689 30.840 4.181 195 HZ2 LYS 25 HZ2 LYS 25 -0.508 31.826 4.750 196 HZ3 LYS 25 HZ3 LYS 25 -0.332 31.056 3.292 197 H ILE 26 H ILE 26 3.777 28.899 9.710 198 HA ILE 26 HA ILE 26 4.963 26.635 8.338 199 HB ILE 26 HB ILE 26 6.495 28.053 9.461 200 HG12 ILE 26 HG12 ILE 26 6.267 25.437 11.026 201 HG13 ILE 26 HG13 ILE 26 7.001 25.652 9.438 202 HG21 ILE 26 HG21 ILE 26 6.551 28.528 11.845 203 HG22 ILE 26 HG22 ILE 26 5.021 29.040 11.171 204 HG23 ILE 26 HG23 ILE 26 5.110 27.542 12.127 205 HD11 ILE 26 HD11 ILE 26 8.758 25.516 11.056 206 HD12 ILE 26 HD12 ILE 26 8.693 27.200 10.502 207 HD13 ILE 26 HD13 ILE 26 8.012 26.741 12.088 208 H LYS 27 H LYS 27 2.930 27.059 11.213 209 HA LYS 27 HA LYS 27 2.782 24.305 11.958 210 HB2 LYS 27 HB2 LYS 27 2.356 26.396 13.368 211 HB3 LYS 27 HB3 LYS 27 0.845 26.589 12.490 212 HG2 LYS 27 HG2 LYS 27 -0.061 25.492 14.200 213 HG3 LYS 27 HG3 LYS 27 0.529 24.025 13.436 214 HD2 LYS 27 HD2 LYS 27 2.085 25.623 15.501 215 HD3 LYS 27 HD3 LYS 27 1.023 24.309 15.929 216 HE2 LYS 27 HE2 LYS 27 3.168 23.759 13.882 217 HE3 LYS 27 HE3 LYS 27 3.669 24.020 15.555 218 HZ1 LYS 27 HZ1 LYS 27 3.279 21.715 15.183 219 HZ2 LYS 27 HZ2 LYS 27 2.239 22.307 16.279 220 HZ3 LYS 27 HZ3 LYS 27 1.704 21.988 14.747 221 H GLU 28 H GLU 28 0.895 26.201 9.606 222 HA GLU 28 HA GLU 28 -1.251 24.307 9.230 223 HB2 GLU 28 HB2 GLU 28 -0.120 26.630 7.681 224 HB3 GLU 28 HB3 GLU 28 -1.053 25.470 6.780 225 HG2 GLU 28 HG2 GLU 28 -2.298 26.423 9.340 226 HG3 GLU 28 HG3 GLU 28 -2.190 27.571 8.001 227 H HIS 29 H HIS 29 2.023 24.567 7.800 228 HA HIS 29 HA HIS 29 1.633 22.416 5.920 229 HB2 HIS 29 HB2 HIS 29 3.403 24.259 5.847 230 HB3 HIS 29 HB3 HIS 29 4.233 23.338 7.118 231 HD2 HIS 29 HD2 HIS 29 3.273 23.139 3.366 232 HE1 HIS 29 HE1 HIS 29 6.214 20.134 4.026 233 HE2 HIS 29 HE2 HIS 29 4.789 21.301 2.278 234 H VAL 30 H VAL 30 1.963 22.351 9.320 235 HA VAL 30 HA VAL 30 2.932 19.538 9.323 236 HB VAL 30 HB VAL 30 2.893 21.262 11.779 237 HG11 VAL 30 HG11 VAL 30 4.543 19.587 12.572 238 HG12 VAL 30 HG12 VAL 30 3.044 18.783 12.106 239 HG13 VAL 30 HG13 VAL 30 4.442 18.727 11.024 240 HG21 VAL 30 HG21 VAL 30 5.365 21.506 11.450 241 HG22 VAL 30 HG22 VAL 30 5.187 20.832 9.814 242 HG23 VAL 30 HG23 VAL 30 4.431 22.363 10.238 243 H ARG 31 H ARG 31 0.206 21.572 10.233 244 HA ARG 31 HA ARG 31 -1.138 19.494 11.834 245 HB2 ARG 31 HB2 ARG 31 -1.818 22.297 10.781 246 HB3 ARG 31 HB3 ARG 31 -3.081 21.265 11.442 247 HG2 ARG 31 HG2 ARG 31 -1.945 21.137 13.600 248 HG3 ARG 31 HG3 ARG 31 -0.642 22.165 12.989 249 HD2 ARG 31 HD2 ARG 31 -2.292 23.977 12.527 250 HD3 ARG 31 HD3 ARG 31 -3.596 22.929 13.118 251 HE ARG 31 HE ARG 31 -1.799 23.086 15.239 252 HH11 ARG 31 HH11 ARG 31 -3.777 25.394 13.481 253 HH12 ARG 31 HH12 ARG 31 -3.871 26.480 14.842 254 HH21 ARG 31 HH21 ARG 31 -1.968 24.535 16.953 255 HH22 ARG 31 HH22 ARG 31 -2.849 26.001 16.747 256 H SER 32 H SER 32 -1.455 17.813 10.559 257 HA SER 32 HA SER 32 -2.348 16.375 9.096 258 HB2 SER 32 HB2 SER 32 -4.425 17.935 9.751 259 HB3 SER 32 HB3 SER 32 -4.396 18.240 8.004 260 HG SER 32 HG SER 32 -5.655 16.397 8.608 261 H LYS 33 H LYS 33 -0.544 18.867 8.008 262 HA LYS 33 HA LYS 33 -0.716 18.154 5.121 263 HB2 LYS 33 HB2 LYS 33 0.270 20.518 6.643 264 HB3 LYS 33 HB3 LYS 33 0.985 20.153 5.069 265 HG2 LYS 33 HG2 LYS 33 -0.613 21.849 4.796 266 HG3 LYS 33 HG3 LYS 33 -1.215 20.405 3.983 267 HD2 LYS 33 HD2 LYS 33 -2.986 20.131 5.541 268 HD3 LYS 33 HD3 LYS 33 -2.085 20.969 6.799 269 HE2 LYS 33 HE2 LYS 33 -3.649 22.575 6.365 270 HE3 LYS 33 HE3 LYS 33 -2.290 23.112 5.399 271 HZ1 LYS 33 HZ1 LYS 33 -4.320 23.193 4.141 272 HZ2 LYS 33 HZ2 LYS 33 -3.347 22.050 3.459 273 HZ3 LYS 33 HZ3 LYS 33 -4.630 21.598 4.386 274 H THR 34 H THR 34 1.702 18.144 7.740 275 HA THR 34 HA THR 34 3.733 16.958 6.018 276 HB THR 34 HB THR 34 3.584 17.361 9.022 277 HG1 THR 34 HG1 THR 34 5.282 18.742 8.574 278 HG21 THR 34 HG21 THR 34 6.017 16.742 9.105 279 HG22 THR 34 HG22 THR 34 4.960 15.364 8.782 280 HG23 THR 34 HG23 THR 34 5.871 16.106 7.449 281 H LYS 35 H LYS 35 1.179 15.781 8.048 282 HA LYS 35 HA LYS 35 2.040 13.004 8.242 283 HB2 LYS 35 HB2 LYS 35 -0.421 14.660 8.929 284 HB3 LYS 35 HB3 LYS 35 -0.582 12.907 8.892 285 HG2 LYS 35 HG2 LYS 35 0.919 12.547 10.638 286 HG3 LYS 35 HG3 LYS 35 1.728 14.107 10.412 287 HD2 LYS 35 HD2 LYS 35 -0.368 15.247 11.214 288 HD3 LYS 35 HD3 LYS 35 -1.028 13.664 11.650 289 HE2 LYS 35 HE2 LYS 35 1.770 14.245 12.574 290 HE3 LYS 35 HE3 LYS 35 0.530 15.296 13.274 291 HZ1 LYS 35 HZ1 LYS 35 0.925 13.301 14.615 292 HZ2 LYS 35 HZ2 LYS 35 -0.627 13.333 14.076 293 HZ3 LYS 35 HZ3 LYS 35 0.476 12.331 13.376 294 H VAL 36 H VAL 36 -0.154 14.799 6.060 295 HA VAL 36 HA VAL 36 -0.700 12.284 4.586 296 HB VAL 36 HB VAL 36 -2.201 14.636 5.289 297 HG11 VAL 36 HG11 VAL 36 -3.309 15.323 3.296 298 HG12 VAL 36 HG12 VAL 36 -1.591 15.677 3.128 299 HG13 VAL 36 HG13 VAL 36 -2.310 14.271 2.296 300 HG21 VAL 36 HG21 VAL 36 -4.094 13.360 4.518 301 HG22 VAL 36 HG22 VAL 36 -3.039 12.254 3.627 302 HG23 VAL 36 HG23 VAL 36 -2.972 12.323 5.408 303 HA PRO 37 HA PRO 37 2.284 13.602 1.417 304 HB2 PRO 37 HB3 PRO 37 1.481 12.174 -0.736 305 HB3 PRO 37 HB2 PRO 37 2.179 11.361 0.706 306 HG2 PRO 37 HG3 PRO 37 -0.778 11.811 0.062 307 HG3 PRO 37 HG2 PRO 37 0.028 10.258 0.477 308 HD2 PRO 37 HD3 PRO 37 -1.241 11.741 2.361 309 HD3 PRO 37 HD2 PRO 37 0.285 10.900 2.753 310 H VAL 38 H VAL 38 1.929 14.611 -0.944 311 HA VAL 38 HA VAL 38 1.006 15.931 -2.391 312 HB VAL 38 HB VAL 38 -1.650 15.620 -1.022 313 HG11 VAL 38 HG11 VAL 38 -2.495 16.630 -3.152 314 HG12 VAL 38 HG12 VAL 38 -1.746 17.731 -2.012 315 HG13 VAL 38 HG13 VAL 38 -0.869 17.253 -3.457 316 HG21 VAL 38 HG21 VAL 38 -2.091 14.347 -3.144 317 HG22 VAL 38 HG22 VAL 38 -0.354 14.391 -3.495 318 HG23 VAL 38 HG23 VAL 38 -0.951 13.556 -2.042 319 H GLN 39 H GLN 39 2.220 17.832 -2.354 320 HA GLN 39 HA GLN 39 1.995 19.327 0.211 321 HB2 GLN 39 HB2 GLN 39 3.627 20.069 -2.203 322 HB3 GLN 39 HB3 GLN 39 3.874 20.578 -0.529 323 HG2 GLN 39 HG2 GLN 39 4.395 17.827 -1.745 324 HG3 GLN 39 HG3 GLN 39 5.588 18.983 -1.204 325 HE21 GLN 39 HE21 GLN 39 4.992 16.129 -0.391 326 HE22 GLN 39 HE22 GLN 39 4.832 16.254 1.360 327 H ASP 40 H ASP 40 0.897 19.604 -3.116 328 HA ASP 40 HA ASP 40 -0.327 20.913 -4.333 329 HB2 ASP 40 HB2 ASP 40 -1.748 20.629 -2.185 330 HB3 ASP 40 HB3 ASP 40 -1.420 22.328 -1.919 331 H GLN 41 H GLN 41 1.446 22.753 -1.917 332 HA GLN 41 HA GLN 41 2.481 24.575 -3.990 333 HB2 GLN 41 HB2 GLN 41 0.299 25.320 -2.222 334 HB3 GLN 41 HB3 GLN 41 1.741 26.158 -1.655 335 HG2 GLN 41 HG2 GLN 41 2.120 26.906 -4.068 336 HG3 GLN 41 HG3 GLN 41 0.523 26.278 -4.433 337 HE21 GLN 41 HE21 GLN 41 0.457 28.685 -5.151 338 HE22 GLN 41 HE22 GLN 41 -0.137 29.797 -3.940 339 H VAL 42 H VAL 42 4.587 24.288 -3.724 340 HA VAL 42 HA VAL 42 5.780 24.110 -0.966 341 HB VAL 42 HB VAL 42 7.710 23.034 -2.018 342 HG11 VAL 42 HG11 VAL 42 6.806 20.826 -2.498 343 HG12 VAL 42 HG12 VAL 42 5.977 21.581 -1.120 344 HG13 VAL 42 HG13 VAL 42 5.191 21.540 -2.720 345 HG21 VAL 42 HG21 VAL 42 7.753 22.090 -4.257 346 HG22 VAL 42 HG22 VAL 42 6.213 22.881 -4.638 347 HG23 VAL 42 HG23 VAL 42 7.673 23.850 -4.300 348 H LEU 43 H LEU 43 7.580 25.486 -0.594 349 HA LEU 43 HA LEU 43 8.179 27.529 -2.706 350 HB2 LEU 43 HB2 LEU 43 6.654 28.055 -0.530 351 HB3 LEU 43 HB3 LEU 43 8.199 28.202 0.251 352 HG LEU 43 HG LEU 43 7.528 29.715 -2.295 353 HD11 LEU 43 HD11 LEU 43 6.757 31.601 -1.067 354 HD12 LEU 43 HD12 LEU 43 5.860 30.214 -0.439 355 HD13 LEU 43 HD13 LEU 43 7.230 30.883 0.487 356 HD21 LEU 43 HD21 LEU 43 9.148 31.391 -1.540 357 HD22 LEU 43 HD22 LEU 43 9.486 30.452 -0.069 358 HD23 LEU 43 HD23 LEU 43 9.923 29.845 -1.665 359 H LEU 44 H LEU 44 10.351 28.212 -2.670 360 HA LEU 44 HA LEU 44 12.297 26.749 -0.985 361 HB2 LEU 44 HB2 LEU 44 12.165 26.777 -4.055 362 HB3 LEU 44 HB3 LEU 44 13.670 26.645 -3.187 363 HG LEU 44 HG LEU 44 12.590 24.613 -1.965 364 HD11 LEU 44 HD11 LEU 44 11.123 23.274 -3.417 365 HD12 LEU 44 HD12 LEU 44 10.325 24.778 -2.973 366 HD13 LEU 44 HD13 LEU 44 11.033 24.614 -4.595 367 HD21 LEU 44 HD21 LEU 44 13.548 23.129 -3.660 368 HD22 LEU 44 HD22 LEU 44 13.527 24.445 -4.858 369 HD23 LEU 44 HD23 LEU 44 14.578 24.540 -3.427 370 H LEU 45 H LEU 45 14.142 27.912 -0.645 371 HA LEU 45 HA LEU 45 14.666 30.455 -2.002 372 HB2 LEU 45 HB2 LEU 45 12.637 30.800 -0.397 373 HB3 LEU 45 HB3 LEU 45 13.770 30.649 0.931 374 HG LEU 45 HG LEU 45 14.389 32.543 -1.372 375 HD11 LEU 45 HD11 LEU 45 13.158 34.301 -0.285 376 HD12 LEU 45 HD12 LEU 45 12.084 32.976 -0.776 377 HD13 LEU 45 HD13 LEU 45 12.518 33.131 0.915 378 HD21 LEU 45 HD21 LEU 45 15.369 33.931 0.491 379 HD22 LEU 45 HD22 LEU 45 15.008 32.592 1.609 380 HD23 LEU 45 HD23 LEU 45 16.164 32.375 0.286 381 H GLY 46 H GLY 46 16.728 30.134 -2.206 382 HA2 GLY 46 HA2 GLY 46 18.984 30.124 -1.657 383 HA3 GLY 46 HA3 GLY 46 18.566 30.287 0.055 384 H SER 47 H SER 47 17.923 27.839 -2.488 385 HA SER 47 HA SER 47 18.072 25.624 -2.579 386 HB2 SER 47 HB2 SER 47 20.603 26.566 -1.881 387 HB3 SER 47 HB3 SER 47 20.376 25.139 -0.854 388 HG SER 47 HG SER 47 21.190 24.632 -2.960 389 H LYS 48 H LYS 48 16.637 26.732 -0.057 390 HA LYS 48 HA LYS 48 16.356 24.082 1.328 391 HB2 LYS 48 HB2 LYS 48 16.382 25.153 3.408 392 HB3 LYS 48 HB3 LYS 48 17.577 26.072 2.516 393 HG2 LYS 48 HG2 LYS 48 16.479 27.874 3.364 394 HG3 LYS 48 HG3 LYS 48 15.417 27.609 1.992 395 HD2 LYS 48 HD2 LYS 48 13.692 27.434 3.331 396 HD3 LYS 48 HD3 LYS 48 14.344 25.969 4.037 397 HE2 LYS 48 HE2 LYS 48 15.148 28.742 4.992 398 HE3 LYS 48 HE3 LYS 48 13.698 27.914 5.595 399 HZ1 LYS 48 HZ1 LYS 48 15.636 27.497 7.011 400 HZ2 LYS 48 HZ2 LYS 48 15.077 26.098 6.358 401 HZ3 LYS 48 HZ3 LYS 48 16.438 26.802 5.764 402 H ILE 49 H ILE 49 14.132 23.934 2.458 403 HA ILE 49 HA ILE 49 12.052 24.907 0.578 404 HB ILE 49 HB ILE 49 12.206 22.486 0.985 405 HG12 ILE 49 HG12 ILE 49 9.700 22.308 2.095 406 HG13 ILE 49 HG13 ILE 49 9.706 24.005 1.651 407 HG21 ILE 49 HG21 ILE 49 11.680 21.361 3.015 408 HG22 ILE 49 HG22 ILE 49 13.010 22.469 3.355 409 HG23 ILE 49 HG23 ILE 49 11.355 22.879 3.869 410 HD11 ILE 49 HD11 ILE 49 8.768 22.643 -0.122 411 HD12 ILE 49 HD12 ILE 49 10.308 23.324 -0.696 412 HD13 ILE 49 HD13 ILE 49 10.211 21.622 -0.182 413 H LEU 50 H LEU 50 10.749 26.505 1.124 414 HA LEU 50 HA LEU 50 10.618 27.470 3.943 415 HB2 LEU 50 HB2 LEU 50 10.620 28.857 1.366 416 HB3 LEU 50 HB3 LEU 50 9.053 29.078 2.109 417 HG LEU 50 HG LEU 50 10.012 30.016 4.127 418 HD11 LEU 50 HD11 LEU 50 12.456 30.720 4.052 419 HD12 LEU 50 HD12 LEU 50 12.158 29.004 4.316 420 HD13 LEU 50 HD13 LEU 50 12.656 29.576 2.701 421 HD21 LEU 50 HD21 LEU 50 10.778 32.137 3.177 422 HD22 LEU 50 HD22 LEU 50 11.014 31.364 1.589 423 HD23 LEU 50 HD23 LEU 50 9.381 31.510 2.281 424 H LYS 51 H LYS 51 8.784 27.607 4.895 425 HA LYS 51 HA LYS 51 6.604 25.799 4.139 426 HB2 LYS 51 HB2 LYS 51 8.307 25.882 6.349 427 HB3 LYS 51 HB3 LYS 51 6.947 26.802 6.969 428 HG2 LYS 51 HG2 LYS 51 5.613 25.028 7.123 429 HG3 LYS 51 HG3 LYS 51 6.142 24.304 5.616 430 HD2 LYS 51 HD2 LYS 51 7.971 24.185 8.034 431 HD3 LYS 51 HD3 LYS 51 6.574 23.110 7.894 432 HE2 LYS 51 HE2 LYS 51 7.504 22.688 5.450 433 HE3 LYS 51 HE3 LYS 51 9.038 23.257 6.144 434 HZ1 LYS 51 HZ1 LYS 51 8.772 20.848 6.332 435 HZ2 LYS 51 HZ2 LYS 51 8.738 21.488 7.858 436 HZ3 LYS 51 HZ3 LYS 51 7.342 21.020 7.104 437 HA PRO 52 HA PRO 52 4.269 29.861 5.049 438 HB2 PRO 52 HB3 PRO 52 5.584 32.222 5.540 439 HB3 PRO 52 HB2 PRO 52 5.305 31.056 6.859 440 HG2 PRO 52 HG3 PRO 52 7.789 31.342 5.161 441 HG3 PRO 52 HG2 PRO 52 7.618 31.307 6.961 442 HD2 PRO 52 HD3 PRO 52 8.279 29.129 5.560 443 HD3 PRO 52 HD2 PRO 52 7.220 29.018 6.999 444 H ARG 53 H ARG 53 4.182 32.124 3.850 445 HA ARG 53 HA ARG 53 4.981 31.684 1.025 446 HB2 ARG 53 HB2 ARG 53 3.191 33.759 2.396 447 HB3 ARG 53 HB3 ARG 53 3.506 33.713 0.665 448 HG2 ARG 53 HG2 ARG 53 2.461 31.492 0.475 449 HG3 ARG 53 HG3 ARG 53 2.258 31.419 2.214 450 HD2 ARG 53 HD2 ARG 53 0.139 31.963 1.421 451 HD3 ARG 53 HD3 ARG 53 0.777 33.497 2.045 452 HE ARG 53 HE ARG 53 1.338 33.255 -0.768 453 HH11 ARG 53 HH11 ARG 53 -1.401 33.914 1.350 454 HH12 ARG 53 HH12 ARG 53 -2.361 34.554 0.046 455 HH21 ARG 53 HH21 ARG 53 0.008 34.063 -2.380 456 HH22 ARG 53 HH22 ARG 53 -1.575 34.640 -2.014 457 H ARG 54 H ARG 54 5.901 33.650 3.783 458 HA ARG 54 HA ARG 54 8.310 34.589 2.471 459 HB2 ARG 54 HB2 ARG 54 6.171 36.145 1.837 460 HB3 ARG 54 HB3 ARG 54 6.449 36.813 3.423 461 HG2 ARG 54 HG2 ARG 54 8.252 36.832 0.992 462 HG3 ARG 54 HG3 ARG 54 7.495 38.200 1.815 463 HD2 ARG 54 HD2 ARG 54 8.970 37.317 3.876 464 HD3 ARG 54 HD3 ARG 54 9.911 36.583 2.569 465 HE ARG 54 HE ARG 54 10.698 38.709 2.008 466 HH11 ARG 54 HH11 ARG 54 7.913 39.132 4.084 467 HH12 ARG 54 HH12 ARG 54 8.170 40.837 4.280 468 HH21 ARG 54 HH21 ARG 54 11.012 40.940 2.329 469 HH22 ARG 54 HH22 ARG 54 9.910 41.808 3.338 470 H SER 55 H SER 55 9.829 34.639 4.171 471 HA SER 55 HA SER 55 9.241 35.808 6.762 472 HB2 SER 55 HB2 SER 55 9.648 33.843 8.123 473 HB3 SER 55 HB3 SER 55 8.175 33.712 7.163 474 HG SER 55 HG SER 55 9.590 31.840 7.195 475 H LEU 56 H LEU 56 11.132 36.953 5.412 476 HA LEU 56 HA LEU 56 13.758 35.624 6.038 477 HB2 LEU 56 HB2 LEU 56 13.586 37.830 4.029 478 HB3 LEU 56 HB3 LEU 56 14.728 36.497 4.155 479 HG LEU 56 HG LEU 56 11.847 36.303 3.265 480 HD11 LEU 56 HD11 LEU 56 12.650 36.068 1.042 481 HD12 LEU 56 HD12 LEU 56 13.334 37.548 1.726 482 HD13 LEU 56 HD13 LEU 56 14.336 36.097 1.582 483 HD21 LEU 56 HD21 LEU 56 12.152 34.041 2.764 484 HD22 LEU 56 HD22 LEU 56 13.923 34.138 2.944 485 HD23 LEU 56 HD23 LEU 56 12.875 34.187 4.355 486 H SER 57 H SER 57 12.479 38.903 5.709 487 HA SER 57 HA SER 57 13.241 40.931 6.238 488 HB2 SER 57 HB2 SER 57 11.963 39.947 8.240 489 HB3 SER 57 HB3 SER 57 13.515 39.763 9.037 490 HG SER 57 HG SER 57 12.569 41.738 9.556 491 H SER 58 H SER 58 15.481 38.817 5.707 492 HA SER 58 HA SER 58 17.826 39.524 7.102 493 HB2 SER 58 HB2 SER 58 18.054 38.502 4.323 494 HB3 SER 58 HB3 SER 58 18.905 38.039 5.808 495 HG SER 58 HG SER 58 17.499 36.397 5.163 496 H TYR 59 H TYR 59 16.289 41.268 4.530 497 HA TYR 59 HA TYR 59 18.765 42.440 3.509 498 HB2 TYR 59 HB2 TYR 59 16.446 41.980 2.316 499 HB3 TYR 59 HB3 TYR 59 15.918 43.473 3.050 500 HD1 TYR 59 HD1 TYR 59 18.107 45.421 2.627 501 HD2 TYR 59 HD2 TYR 59 16.684 42.275 0.029 502 HE1 TYR 59 HE1 TYR 59 18.979 46.632 0.688 503 HE2 TYR 59 HE2 TYR 59 17.551 43.537 -1.930 504 HH TYR 59 HH TYR 59 18.710 45.389 -2.633 505 H GLY 60 H GLY 60 16.078 43.427 5.700 506 HA2 GLY 60 HA2 GLY 60 16.147 44.980 7.395 507 HA3 GLY 60 HA3 GLY 60 17.764 45.475 6.918 508 H ILE 61 H ILE 61 14.921 45.419 4.799 509 HA ILE 61 HA ILE 61 15.063 48.360 4.497 510 HB ILE 61 HB ILE 61 13.386 47.911 2.643 511 HG12 ILE 61 HG12 ILE 61 14.077 45.132 2.087 512 HG13 ILE 61 HG13 ILE 61 13.204 45.248 3.599 513 HG21 ILE 61 HG21 ILE 61 15.042 47.091 0.995 514 HG22 ILE 61 HG22 ILE 61 15.652 48.362 2.086 515 HG23 ILE 61 HG23 ILE 61 16.108 46.674 2.360 516 HD11 ILE 61 HD11 ILE 61 11.655 44.901 1.756 517 HD12 ILE 61 HD12 ILE 61 11.374 46.497 2.481 518 HD13 ILE 61 HD13 ILE 61 12.245 46.352 0.929 519 H ASP 62 H ASP 62 13.314 49.589 4.869 520 HA ASP 62 HA ASP 62 10.889 48.560 6.251 521 HB2 ASP 62 HB2 ASP 62 12.803 49.547 7.749 522 HB3 ASP 62 HB3 ASP 62 12.408 51.095 7.004 523 H LYS 63 H LYS 63 11.264 49.242 3.517 524 HA LYS 63 HA LYS 63 9.409 51.568 3.150 525 HB2 LYS 63 HB2 LYS 63 11.797 50.769 1.361 526 HB3 LYS 63 HB3 LYS 63 10.630 52.025 1.013 527 HG2 LYS 63 HG2 LYS 63 11.317 53.232 3.064 528 HG3 LYS 63 HG3 LYS 63 12.610 52.058 3.323 529 HD2 LYS 63 HD2 LYS 63 12.456 53.507 0.656 530 HD3 LYS 63 HD3 LYS 63 12.999 54.388 2.084 531 HE2 LYS 63 HE2 LYS 63 14.750 52.730 2.518 532 HE3 LYS 63 HE3 LYS 63 14.243 51.786 1.119 533 HZ1 LYS 63 HZ1 LYS 63 16.139 53.284 0.642 534 HZ2 LYS 63 HZ2 LYS 63 14.833 53.693 -0.283 535 HZ3 LYS 63 HZ3 LYS 63 15.227 54.586 1.025 536 H GLU 64 H GLU 64 8.210 51.378 1.169 537 HA GLU 64 HA GLU 64 7.177 48.746 0.804 538 HB2 GLU 64 HB2 GLU 64 5.531 49.906 -0.674 539 HB3 GLU 64 HB3 GLU 64 5.630 50.586 0.923 540 HG2 GLU 64 HG2 GLU 64 5.929 52.618 0.101 541 HG3 GLU 64 HG3 GLU 64 7.410 52.163 -0.694 542 H LYS 65 H LYS 65 8.256 47.410 -0.349 543 HA LYS 65 HA LYS 65 9.153 47.955 -3.104 544 HB2 LYS 65 HB2 LYS 65 10.990 47.667 -0.768 545 HB3 LYS 65 HB3 LYS 65 11.199 46.350 -1.890 546 HG2 LYS 65 HG2 LYS 65 11.251 48.158 -3.753 547 HG3 LYS 65 HG3 LYS 65 11.551 49.298 -2.443 548 HD2 LYS 65 HD2 LYS 65 13.286 46.834 -2.537 549 HD3 LYS 65 HD3 LYS 65 13.471 47.936 -3.877 550 HE2 LYS 65 HE2 LYS 65 13.550 49.047 -1.066 551 HE3 LYS 65 HE3 LYS 65 14.952 48.154 -1.685 552 HZ1 LYS 65 HZ1 LYS 65 15.182 50.489 -2.194 553 HZ2 LYS 65 HZ2 LYS 65 15.022 49.641 -3.582 554 HZ3 LYS 65 HZ3 LYS 65 13.739 50.506 -3.023 555 H THR 66 H THR 66 9.200 46.189 -4.341 556 HA THR 66 HA THR 66 7.697 43.849 -3.452 557 HB THR 66 HB THR 66 7.716 43.288 -5.857 558 HG1 THR 66 HG1 THR 66 8.848 44.618 -7.326 559 HG21 THR 66 HG21 THR 66 6.538 45.123 -6.830 560 HG22 THR 66 HG22 THR 66 6.150 45.133 -5.109 561 HG23 THR 66 HG23 THR 66 7.322 46.302 -5.749 562 H ILE 67 H ILE 67 8.561 41.712 -4.323 563 HA ILE 67 HA ILE 67 11.490 41.298 -4.038 564 HB ILE 67 HB ILE 67 10.484 39.327 -2.396 565 HG12 ILE 67 HG12 ILE 67 8.927 41.740 -1.432 566 HG13 ILE 67 HG13 ILE 67 8.211 40.374 -2.295 567 HG21 ILE 67 HG21 ILE 67 11.632 40.393 -0.576 568 HG22 ILE 67 HG22 ILE 67 12.494 40.709 -2.064 569 HG23 ILE 67 HG23 ILE 67 11.480 41.985 -1.361 570 HD11 ILE 67 HD11 ILE 67 7.911 40.191 0.154 571 HD12 ILE 67 HD12 ILE 67 8.869 38.838 -0.480 572 HD13 ILE 67 HD13 ILE 67 9.654 40.180 0.373 573 H HIS 68 H HIS 68 12.048 39.221 -4.708 574 HA HIS 68 HA HIS 68 10.008 37.711 -6.251 575 HB2 HIS 68 HB2 HIS 68 11.452 39.489 -7.565 576 HB3 HIS 68 HB3 HIS 68 12.800 38.391 -7.316 577 HD2 HIS 68 HD2 HIS 68 9.928 36.138 -7.896 578 HE1 HIS 68 HE1 HIS 68 10.889 37.352 -11.845 579 HE2 HIS 68 HE2 HIS 68 9.469 35.773 -10.429 580 H LEU 69 H LEU 69 10.124 35.743 -5.670 581 HA LEU 69 HA LEU 69 12.544 34.483 -4.453 582 HB2 LEU 69 HB2 LEU 69 9.835 33.697 -3.419 583 HB3 LEU 69 HB3 LEU 69 11.368 33.815 -2.638 584 HG LEU 69 HG LEU 69 10.780 36.493 -2.813 585 HD11 LEU 69 HD11 LEU 69 8.379 36.692 -2.070 586 HD12 LEU 69 HD12 LEU 69 8.554 36.204 -3.754 587 HD13 LEU 69 HD13 LEU 69 8.122 35.000 -2.535 588 HD21 LEU 69 HD21 LEU 69 9.908 36.311 -0.474 589 HD22 LEU 69 HD22 LEU 69 9.916 34.538 -0.641 590 HD23 LEU 69 HD23 LEU 69 11.425 35.487 -0.762 591 H THR 70 H THR 70 11.856 31.902 -4.307 592 HA THR 70 HA THR 70 10.685 31.246 -6.982 593 HB THR 70 HB THR 70 12.113 29.426 -7.210 594 HG1 THR 70 HG1 THR 70 13.645 28.795 -5.667 595 HG21 THR 70 HG21 THR 70 14.410 30.179 -7.154 596 HG22 THR 70 HG22 THR 70 13.365 31.460 -7.742 597 HG23 THR 70 HG23 THR 70 13.993 31.521 -6.071 598 H LEU 71 H LEU 71 9.239 29.613 -7.097 599 HA LEU 71 HA LEU 71 8.322 28.190 -4.690 600 HB2 LEU 71 HB2 LEU 71 7.220 30.532 -4.797 601 HB3 LEU 71 HB3 LEU 71 6.472 30.026 -6.311 602 HG LEU 71 HG LEU 71 6.095 28.295 -3.897 603 HD11 LEU 71 HD11 LEU 71 4.303 29.483 -2.985 604 HD12 LEU 71 HD12 LEU 71 5.618 30.667 -3.125 605 HD13 LEU 71 HD13 LEU 71 4.294 30.679 -4.304 606 HD21 LEU 71 HD21 LEU 71 3.945 27.801 -4.861 607 HD22 LEU 71 HD22 LEU 71 4.038 29.168 -5.998 608 HD23 LEU 71 HD23 LEU 71 5.043 27.758 -6.222 609 H LYS 72 H LYS 72 7.055 26.389 -5.356 610 HA LYS 72 HA LYS 72 6.667 25.901 -8.260 611 HB2 LYS 72 HB2 LYS 72 9.028 25.089 -7.439 612 HB3 LYS 72 HB3 LYS 72 8.175 23.896 -6.470 613 HG2 LYS 72 HG2 LYS 72 7.267 22.824 -8.420 614 HG3 LYS 72 HG3 LYS 72 7.767 24.143 -9.478 615 HD2 LYS 72 HD2 LYS 72 9.891 22.639 -7.933 616 HD3 LYS 72 HD3 LYS 72 9.093 21.845 -9.300 617 HE2 LYS 72 HE2 LYS 72 9.646 23.785 -10.752 618 HE3 LYS 72 HE3 LYS 72 10.541 24.533 -9.415 619 HZ1 LYS 72 HZ1 LYS 72 11.966 23.276 -10.968 620 HZ2 LYS 72 HZ2 LYS 72 12.033 22.626 -9.454 621 HZ3 LYS 72 HZ3 LYS 72 11.159 21.885 -10.631 622 H VAL 73 H VAL 73 5.430 23.652 -8.371 623 HA VAL 73 HA VAL 73 3.649 23.231 -6.024 624 HB VAL 73 HB VAL 73 1.696 23.566 -7.140 625 HG11 VAL 73 HG11 VAL 73 1.557 25.779 -8.029 626 HG12 VAL 73 HG12 VAL 73 2.752 25.785 -6.729 627 HG13 VAL 73 HG13 VAL 73 3.282 25.805 -8.439 628 HG21 VAL 73 HG21 VAL 73 1.332 23.995 -9.545 629 HG22 VAL 73 HG22 VAL 73 3.039 23.599 -9.850 630 HG23 VAL 73 HG23 VAL 73 1.913 22.378 -9.191 631 H VAL 74 H VAL 74 2.901 21.236 -5.902 632 HA VAL 74 HA VAL 74 3.571 19.214 -7.932 633 HB VAL 74 HB VAL 74 4.600 17.685 -6.336 634 HG11 VAL 74 HG11 VAL 74 6.820 18.624 -6.199 635 HG12 VAL 74 HG12 VAL 74 6.081 19.120 -7.724 636 HG13 VAL 74 HG13 VAL 74 6.192 20.273 -6.383 637 HG21 VAL 74 HG21 VAL 74 5.537 18.443 -4.170 638 HG22 VAL 74 HG22 VAL 74 4.660 19.978 -4.355 639 HG23 VAL 74 HG23 VAL 74 3.774 18.454 -4.179 640 H LYS 75 H LYS 75 2.197 17.595 -7.956 641 HA LYS 75 HA LYS 75 0.420 16.241 -7.618 642 HB2 LYS 75 HB2 LYS 75 0.981 16.917 -4.712 643 HB3 LYS 75 HB3 LYS 75 -0.279 15.795 -5.211 644 HG2 LYS 75 HG2 LYS 75 2.582 15.447 -6.166 645 HG3 LYS 75 HG3 LYS 75 2.093 14.864 -4.581 646 HD2 LYS 75 HD2 LYS 75 0.871 13.141 -5.387 647 HD3 LYS 75 HD3 LYS 75 0.231 14.060 -6.758 648 HE2 LYS 75 HE2 LYS 75 2.256 13.792 -8.012 649 HE3 LYS 75 HE3 LYS 75 3.099 13.060 -6.639 650 HZ1 LYS 75 HZ1 LYS 75 2.271 11.398 -8.234 651 HZ2 LYS 75 HZ2 LYS 75 1.577 11.191 -6.756 652 HZ3 LYS 75 HZ3 LYS 75 0.722 11.893 -7.969 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 0.197 43.327 -0.109 2 H2 LEU 1 H2 LEU 1 1.289 42.422 0.694 3 H3 LEU 1 H3 LEU 1 1.266 44.068 0.922 4 HA LEU 1 HA LEU 1 1.894 44.467 -1.357 5 HB2 LEU 1 HB2 LEU 1 3.919 42.548 -0.122 6 HB3 LEU 1 HB3 LEU 1 4.200 43.902 -1.200 7 HG LEU 1 HG LEU 1 3.290 44.083 1.702 8 HD11 LEU 1 HD11 LEU 1 5.561 45.177 1.906 9 HD12 LEU 1 HD12 LEU 1 5.592 43.435 1.545 10 HD13 LEU 1 HD13 LEU 1 5.921 44.626 0.266 11 HD21 LEU 1 HD21 LEU 1 3.656 46.522 1.469 12 HD22 LEU 1 HD22 LEU 1 3.968 46.321 -0.265 13 HD23 LEU 1 HD23 LEU 1 2.359 45.990 0.402 14 H CYS 2 H CYS 2 3.726 42.764 -2.758 15 HA CYS 2 HA CYS 2 2.184 40.360 -3.563 16 HB2 CYS 2 HB2 CYS 2 2.499 41.017 -5.955 17 HB3 CYS 2 HB3 CYS 2 1.374 42.069 -5.078 18 HG CYS 2 HG CYS 2 2.717 43.513 -6.764 19 H VAL 3 H VAL 3 3.429 38.752 -4.364 20 HA VAL 3 HA VAL 3 6.404 39.042 -4.176 21 HB VAL 3 HB VAL 3 5.488 36.308 -3.724 22 HG11 VAL 3 HG11 VAL 3 6.924 36.337 -1.874 23 HG12 VAL 3 HG12 VAL 3 7.702 37.418 -3.063 24 HG13 VAL 3 HG13 VAL 3 6.808 38.079 -1.673 25 HG21 VAL 3 HG21 VAL 3 4.505 36.463 -1.493 26 HG22 VAL 3 HG22 VAL 3 4.548 38.220 -1.577 27 HG23 VAL 3 HG23 VAL 3 3.469 37.329 -2.634 28 H HIS 4 H HIS 4 7.585 37.819 -5.736 29 HA HIS 4 HA HIS 4 5.958 37.023 -8.120 30 HB2 HIS 4 HB2 HIS 4 8.764 38.209 -8.092 31 HB3 HIS 4 HB3 HIS 4 7.752 37.851 -9.478 32 HD2 HIS 4 HD2 HIS 4 8.980 40.752 -8.799 33 HE1 HIS 4 HE1 HIS 4 4.937 41.876 -8.044 34 HE2 HIS 4 HE2 HIS 4 7.269 42.741 -8.565 35 H VAL 5 H VAL 5 6.038 34.951 -8.405 36 HA VAL 5 HA VAL 5 8.347 33.344 -7.454 37 HB VAL 5 HB VAL 5 6.620 31.502 -7.486 38 HG11 VAL 5 HG11 VAL 5 5.786 32.085 -5.238 39 HG12 VAL 5 HG12 VAL 5 7.501 32.450 -5.472 40 HG13 VAL 5 HG13 VAL 5 6.305 33.761 -5.520 41 HG21 VAL 5 HG21 VAL 5 4.246 32.063 -7.158 42 HG22 VAL 5 HG22 VAL 5 4.584 33.752 -7.547 43 HG23 VAL 5 HG23 VAL 5 4.767 32.490 -8.773 44 H ARG 6 H ARG 6 9.664 33.274 -9.137 45 HA ARG 6 HA ARG 6 8.706 32.861 -11.856 46 HB2 ARG 6 HB2 ARG 6 10.943 33.134 -12.535 47 HB3 ARG 6 HB3 ARG 6 10.843 34.135 -11.108 48 HG2 ARG 6 HG2 ARG 6 12.908 33.093 -10.817 49 HG3 ARG 6 HG3 ARG 6 11.878 32.054 -9.853 50 HD2 ARG 6 HD2 ARG 6 11.713 30.876 -12.377 51 HD3 ARG 6 HD3 ARG 6 13.323 31.592 -12.440 52 HE ARG 6 HE ARG 6 12.828 30.054 -10.021 53 HH11 ARG 6 HH11 ARG 6 13.663 29.680 -13.389 54 HH12 ARG 6 HH12 ARG 6 14.392 28.120 -13.173 55 HH21 ARG 6 HH21 ARG 6 13.787 28.034 -9.757 56 HH22 ARG 6 HH22 ARG 6 14.466 27.211 -11.122 57 H SER 7 H SER 7 8.163 30.990 -12.659 58 HA SER 7 HA SER 7 9.658 28.732 -13.013 59 HB2 SER 7 HB2 SER 7 8.364 28.670 -10.377 60 HB3 SER 7 HB3 SER 7 7.881 27.286 -11.309 61 HG SER 7 HG SER 7 9.886 27.178 -10.072 62 H GLU 8 H GLU 8 7.834 26.668 -13.172 63 HA GLU 8 HA GLU 8 5.882 27.510 -15.217 64 HB2 GLU 8 HB2 GLU 8 7.297 25.393 -15.353 65 HB3 GLU 8 HB3 GLU 8 6.508 24.805 -13.899 66 HG2 GLU 8 HG2 GLU 8 4.263 25.224 -15.312 67 HG3 GLU 8 HG3 GLU 8 5.372 25.266 -16.680 68 H GLU 9 H GLU 9 4.542 28.851 -13.940 69 HA GLU 9 HA GLU 9 2.550 27.395 -12.298 70 HB2 GLU 9 HB2 GLU 9 2.348 29.503 -10.897 71 HB3 GLU 9 HB3 GLU 9 3.727 28.485 -10.603 72 HG2 GLU 9 HG2 GLU 9 4.281 30.864 -10.467 73 HG3 GLU 9 HG3 GLU 9 5.237 30.012 -11.676 74 H TRP 10 H TRP 10 0.533 28.639 -12.156 75 HA TRP 10 HA TRP 10 -0.152 29.980 -14.745 76 HB2 TRP 10 HB2 TRP 10 -1.934 28.408 -12.835 77 HB3 TRP 10 HB3 TRP 10 -2.397 29.074 -14.388 78 HD1 TRP 10 HD1 TRP 10 -0.428 26.212 -12.824 79 HE1 TRP 10 HE1 TRP 10 -0.006 24.384 -14.557 80 HE3 TRP 10 HE3 TRP 10 -2.198 28.618 -16.986 81 HZ2 TRP 10 HZ2 TRP 10 -0.451 23.970 -17.377 82 HZ3 TRP 10 HZ3 TRP 10 -2.205 27.470 -19.192 83 HH2 TRP 10 HH2 TRP 10 -1.326 25.157 -19.397 84 H ASP 11 H ASP 11 0.031 30.375 -11.298 85 HA ASP 11 HA ASP 11 -1.399 32.959 -11.461 86 HB2 ASP 11 HB2 ASP 11 -2.755 30.959 -10.386 87 HB3 ASP 11 HB3 ASP 11 -1.651 31.143 -9.027 88 H LEU 12 H LEU 12 -0.567 34.512 -10.167 89 HA LEU 12 HA LEU 12 2.246 34.187 -9.350 90 HB2 LEU 12 HB2 LEU 12 2.104 36.677 -9.058 91 HB3 LEU 12 HB3 LEU 12 1.727 36.136 -10.669 92 HG LEU 12 HG LEU 12 -0.751 36.340 -9.115 93 HD11 LEU 12 HD11 LEU 12 -0.795 38.763 -8.766 94 HD12 LEU 12 HD12 LEU 12 0.420 37.989 -7.746 95 HD13 LEU 12 HD13 LEU 12 0.924 38.873 -9.208 96 HD21 LEU 12 HD21 LEU 12 -1.426 37.803 -10.957 97 HD22 LEU 12 HD22 LEU 12 0.264 37.904 -11.513 98 HD23 LEU 12 HD23 LEU 12 -0.600 36.359 -11.573 99 H MET 13 H MET 13 2.968 35.015 -7.305 100 HA MET 13 HA MET 13 1.277 34.081 -5.095 101 HB2 MET 13 HB2 MET 13 3.662 33.438 -5.294 102 HB3 MET 13 HB3 MET 13 4.157 35.125 -5.236 103 HG2 MET 13 HG2 MET 13 4.567 34.152 -3.104 104 HG3 MET 13 HG3 MET 13 3.220 35.260 -2.951 105 HE1 MET 13 HE1 MET 13 2.213 33.135 -0.157 106 HE2 MET 13 HE2 MET 13 3.925 33.396 -0.606 107 HE3 MET 13 HE3 MET 13 2.722 34.700 -0.795 108 H THR 14 H THR 14 0.764 35.382 -3.307 109 HA THR 14 HA THR 14 0.830 38.369 -3.633 110 HB THR 14 HB THR 14 -1.508 36.493 -3.163 111 HG1 THR 14 HG1 THR 14 -2.405 38.005 -4.613 112 HG21 THR 14 HG21 THR 14 -2.875 38.437 -2.414 113 HG22 THR 14 HG22 THR 14 -1.698 37.898 -1.230 114 HG23 THR 14 HG23 THR 14 -1.385 39.370 -2.181 115 H PHE 15 H PHE 15 1.385 39.455 -1.848 116 HA PHE 15 HA PHE 15 2.214 37.876 0.527 117 HB2 PHE 15 HB2 PHE 15 3.572 39.872 -0.778 118 HB3 PHE 15 HB3 PHE 15 2.643 40.849 0.296 119 HD1 PHE 15 HD2 PHE 15 4.546 37.613 0.676 120 HD2 PHE 15 HD1 PHE 15 3.830 41.585 2.173 121 HE1 PHE 15 HE2 PHE 15 6.251 37.257 2.430 122 HE2 PHE 15 HE1 PHE 15 5.535 41.229 3.927 123 HZ PHE 15 HZ PHE 15 6.756 39.065 4.061 124 H ASP 16 H ASP 16 0.425 37.476 1.618 125 HA ASP 16 HA ASP 16 -0.926 39.686 2.990 126 HB2 ASP 16 HB2 ASP 16 -2.214 38.151 0.808 127 HB3 ASP 16 HB3 ASP 16 -3.021 37.821 2.318 128 H ALA 17 H ALA 17 -2.245 38.863 4.736 129 HA ALA 17 HA ALA 17 -1.747 36.139 5.739 130 HB1 ALA 17 HB1 ALA 17 -0.755 37.049 7.863 131 HB2 ALA 17 HB2 ALA 17 0.296 37.329 6.456 132 HB3 ALA 17 HB3 ALA 17 -0.680 38.665 7.114 133 H ASN 18 H ASN 18 -2.922 35.789 7.715 134 HA ASN 18 HA ASN 18 -5.478 37.338 7.763 135 HB2 ASN 18 HB2 ASN 18 -5.071 34.397 8.479 136 HB3 ASN 18 HB3 ASN 18 -6.580 35.238 8.156 137 HD21 ASN 18 HD21 ASN 18 -6.263 36.496 5.752 138 HD22 ASN 18 HD22 ASN 18 -5.814 35.348 4.525 139 HA PRO 19 HA PRO 19 -4.681 37.912 12.140 140 HB2 PRO 19 HB3 PRO 19 -7.176 38.278 13.175 141 HB3 PRO 19 HB2 PRO 19 -6.418 39.447 12.047 142 HG2 PRO 19 HG3 PRO 19 -8.374 37.219 11.368 143 HG3 PRO 19 HG2 PRO 19 -8.474 38.948 10.907 144 HD2 PRO 19 HD3 PRO 19 -7.431 37.070 9.234 145 HD3 PRO 19 HD2 PRO 19 -6.726 38.707 9.331 146 H TYR 20 H TYR 20 -3.759 35.832 12.298 147 HA TYR 20 HA TYR 20 -5.375 33.925 13.923 148 HB2 TYR 20 HB2 TYR 20 -3.931 33.412 11.375 149 HB3 TYR 20 HB3 TYR 20 -3.500 32.311 12.651 150 HD1 TYR 20 HD1 TYR 20 -5.651 31.521 14.146 151 HD2 TYR 20 HD2 TYR 20 -5.587 32.510 9.950 152 HE1 TYR 20 HE1 TYR 20 -7.624 30.056 13.770 153 HE2 TYR 20 HE2 TYR 20 -7.549 31.036 9.574 154 HH TYR 20 HH TYR 20 -9.084 29.630 10.539 155 H ASP 21 H ASP 21 -1.946 33.613 13.072 156 HA ASP 21 HA ASP 21 -0.963 34.867 15.437 157 HB2 ASP 21 HB2 ASP 21 -1.905 32.157 15.726 158 HB3 ASP 21 HB3 ASP 21 -0.161 32.056 15.743 159 H SER 22 H SER 22 1.444 34.264 15.704 160 HA SER 22 HA SER 22 2.835 34.270 13.135 161 HB2 SER 22 HB2 SER 22 4.862 34.549 14.577 162 HB3 SER 22 HB3 SER 22 3.628 35.801 14.826 163 HG SER 22 HG SER 22 4.353 35.028 16.834 164 H VAL 23 H VAL 23 2.532 32.110 15.956 165 HA VAL 23 HA VAL 23 4.316 30.083 14.994 166 HB VAL 23 HB VAL 23 3.181 28.591 16.638 167 HG11 VAL 23 HG11 VAL 23 4.056 29.729 18.617 168 HG12 VAL 23 HG12 VAL 23 5.151 29.901 17.231 169 HG13 VAL 23 HG13 VAL 23 4.119 31.257 17.724 170 HG21 VAL 23 HG21 VAL 23 1.589 29.500 18.249 171 HG22 VAL 23 HG22 VAL 23 1.527 31.031 17.394 172 HG23 VAL 23 HG23 VAL 23 0.901 29.555 16.626 173 H LEU 24 H LEU 24 0.958 30.828 14.297 174 HA LEU 24 HA LEU 24 0.059 28.321 13.350 175 HB2 LEU 24 HB2 LEU 24 -1.280 30.467 13.706 176 HB3 LEU 24 HB3 LEU 24 -0.625 31.049 12.189 177 HG LEU 24 HG LEU 24 -1.664 28.383 11.717 178 HD11 LEU 24 HD11 LEU 24 -4.041 28.706 12.289 179 HD12 LEU 24 HD12 LEU 24 -2.988 28.575 13.715 180 HD13 LEU 24 HD13 LEU 24 -3.600 30.158 13.210 181 HD21 LEU 24 HD21 LEU 24 -3.154 29.527 10.138 182 HD22 LEU 24 HD22 LEU 24 -2.717 31.094 10.841 183 HD23 LEU 24 HD23 LEU 24 -1.491 30.127 10.007 184 H LYS 25 H LYS 25 2.322 30.638 11.891 185 HA LYS 25 HA LYS 25 2.062 29.649 9.213 186 HB2 LYS 25 HB2 LYS 25 2.999 31.909 10.115 187 HB3 LYS 25 HB3 LYS 25 4.538 31.072 10.331 188 HG2 LYS 25 HG2 LYS 25 3.190 30.688 7.665 189 HG3 LYS 25 HG3 LYS 25 3.654 32.314 8.070 190 HD2 LYS 25 HD2 LYS 25 5.391 31.335 6.763 191 HD3 LYS 25 HD3 LYS 25 6.000 31.586 8.408 192 HE2 LYS 25 HE2 LYS 25 5.845 29.242 8.906 193 HE3 LYS 25 HE3 LYS 25 4.953 28.933 7.402 194 HZ1 LYS 25 HZ1 LYS 25 7.269 28.337 7.168 195 HZ2 LYS 25 HZ2 LYS 25 6.912 29.615 6.176 196 HZ3 LYS 25 HZ3 LYS 25 7.747 29.864 7.582 197 H ILE 26 H ILE 26 4.598 29.097 11.725 198 HA ILE 26 HA ILE 26 6.016 27.116 10.176 199 HB ILE 26 HB ILE 26 7.238 28.189 11.834 200 HG12 ILE 26 HG12 ILE 26 7.574 25.650 11.530 201 HG13 ILE 26 HG13 ILE 26 8.401 26.492 12.822 202 HG21 ILE 26 HG21 ILE 26 6.830 28.138 14.256 203 HG22 ILE 26 HG22 ILE 26 5.577 29.007 13.366 204 HG23 ILE 26 HG23 ILE 26 5.256 27.373 13.969 205 HD11 ILE 26 HD11 ILE 26 7.556 24.278 13.518 206 HD12 ILE 26 HD12 ILE 26 6.890 25.591 14.507 207 HD13 ILE 26 HD13 ILE 26 5.894 24.809 13.271 208 H LYS 27 H LYS 27 3.379 26.918 12.627 209 HA LYS 27 HA LYS 27 3.280 24.049 12.612 210 HB2 LYS 27 HB2 LYS 27 1.657 26.249 13.786 211 HB3 LYS 27 HB3 LYS 27 0.691 24.911 13.240 212 HG2 LYS 27 HG2 LYS 27 1.176 24.330 15.441 213 HG3 LYS 27 HG3 LYS 27 2.266 23.339 14.472 214 HD2 LYS 27 HD2 LYS 27 4.002 25.272 14.880 215 HD3 LYS 27 HD3 LYS 27 2.885 25.804 16.144 216 HE2 LYS 27 HE2 LYS 27 3.051 23.631 17.271 217 HE3 LYS 27 HE3 LYS 27 3.992 22.972 15.926 218 HZ1 LYS 27 HZ1 LYS 27 5.412 23.591 17.731 219 HZ2 LYS 27 HZ2 LYS 27 5.734 24.562 16.435 220 HZ3 LYS 27 HZ3 LYS 27 4.864 25.146 17.714 221 H GLU 28 H GLU 28 1.784 26.459 10.467 222 HA GLU 28 HA GLU 28 -0.031 24.634 9.181 223 HB2 GLU 28 HB2 GLU 28 1.104 27.363 8.548 224 HB3 GLU 28 HB3 GLU 28 0.403 26.447 7.247 225 HG2 GLU 28 HG2 GLU 28 -1.277 26.599 9.711 226 HG3 GLU 28 HG3 GLU 28 -1.049 28.096 8.793 227 H HIS 29 H HIS 29 3.420 25.385 8.695 228 HA HIS 29 HA HIS 29 3.659 23.887 6.221 229 HB2 HIS 29 HB2 HIS 29 5.177 25.753 6.826 230 HB3 HIS 29 HB3 HIS 29 5.793 24.810 8.185 231 HD2 HIS 29 HD2 HIS 29 5.827 24.798 4.288 232 HE1 HIS 29 HE1 HIS 29 8.868 22.118 5.600 233 HE2 HIS 29 HE2 HIS 29 7.826 23.237 3.572 234 H VAL 30 H VAL 30 3.243 22.844 9.416 235 HA VAL 30 HA VAL 30 4.456 20.197 8.852 236 HB VAL 30 HB VAL 30 3.702 21.262 11.564 237 HG11 VAL 30 HG11 VAL 30 5.074 19.459 12.428 238 HG12 VAL 30 HG12 VAL 30 3.935 18.727 11.290 239 HG13 VAL 30 HG13 VAL 30 5.628 19.017 10.810 240 HG21 VAL 30 HG21 VAL 30 6.167 21.571 11.924 241 HG22 VAL 30 HG22 VAL 30 6.434 21.278 10.182 242 HG23 VAL 30 HG23 VAL 30 5.516 22.679 10.728 243 H ARG 31 H ARG 31 1.487 21.917 9.629 244 HA ARG 31 HA ARG 31 -0.054 19.566 10.313 245 HB2 ARG 31 HB2 ARG 31 -0.510 21.803 11.261 246 HB3 ARG 31 HB3 ARG 31 -0.868 22.465 9.667 247 HG2 ARG 31 HG2 ARG 31 -2.951 21.499 9.546 248 HG3 ARG 31 HG3 ARG 31 -2.413 20.025 10.329 249 HD2 ARG 31 HD2 ARG 31 -2.287 21.741 12.473 250 HD3 ARG 31 HD3 ARG 31 -3.580 22.488 11.545 251 HE ARG 31 HE ARG 31 -4.950 20.720 12.143 252 HH11 ARG 31 HH11 ARG 31 -1.636 19.657 12.625 253 HH12 ARG 31 HH12 ARG 31 -2.095 18.143 13.349 254 HH21 ARG 31 HH21 ARG 31 -5.500 18.745 13.086 255 HH22 ARG 31 HH22 ARG 31 -4.268 17.644 13.595 256 H SER 32 H SER 32 -0.051 18.173 8.734 257 HA SER 32 HA SER 32 -0.463 17.067 6.842 258 HB2 SER 32 HB2 SER 32 -2.757 18.346 7.420 259 HB3 SER 32 HB3 SER 32 -2.458 19.003 5.800 260 HG SER 32 HG SER 32 -3.645 17.039 5.767 261 H LYS 33 H LYS 33 1.359 19.637 6.774 262 HA LYS 33 HA LYS 33 1.549 20.030 3.839 263 HB2 LYS 33 HB2 LYS 33 2.005 21.647 6.254 264 HB3 LYS 33 HB3 LYS 33 3.242 21.851 5.044 265 HG2 LYS 33 HG2 LYS 33 0.276 22.272 4.506 266 HG3 LYS 33 HG3 LYS 33 1.456 23.516 4.869 267 HD2 LYS 33 HD2 LYS 33 1.486 21.776 2.388 268 HD3 LYS 33 HD3 LYS 33 1.048 23.483 2.507 269 HE2 LYS 33 HE2 LYS 33 3.382 23.953 3.391 270 HE3 LYS 33 HE3 LYS 33 3.790 22.259 3.059 271 HZ1 LYS 33 HZ1 LYS 33 4.453 23.681 1.236 272 HZ2 LYS 33 HZ2 LYS 33 3.286 22.651 0.740 273 HZ3 LYS 33 HZ3 LYS 33 2.918 24.238 1.023 274 H THR 34 H THR 34 3.661 19.329 6.637 275 HA THR 34 HA THR 34 5.909 18.668 4.887 276 HB THR 34 HB THR 34 6.109 19.610 7.276 277 HG1 THR 34 HG1 THR 34 8.023 18.481 7.510 278 HG21 THR 34 HG21 THR 34 6.358 17.936 9.060 279 HG22 THR 34 HG22 THR 34 4.672 17.983 8.485 280 HG23 THR 34 HG23 THR 34 5.770 16.660 8.010 281 H LYS 35 H LYS 35 3.181 17.038 6.331 282 HA LYS 35 HA LYS 35 4.227 14.325 6.051 283 HB2 LYS 35 HB2 LYS 35 1.510 15.558 6.768 284 HB3 LYS 35 HB3 LYS 35 1.578 13.893 6.202 285 HG2 LYS 35 HG2 LYS 35 1.751 13.486 8.418 286 HG3 LYS 35 HG3 LYS 35 3.452 13.546 7.972 287 HD2 LYS 35 HD2 LYS 35 2.895 16.215 8.611 288 HD3 LYS 35 HD3 LYS 35 1.843 15.342 9.719 289 HE2 LYS 35 HE2 LYS 35 4.824 14.764 9.358 290 HE3 LYS 35 HE3 LYS 35 4.196 15.914 10.558 291 HZ1 LYS 35 HZ1 LYS 35 4.572 13.726 11.514 292 HZ2 LYS 35 HZ2 LYS 35 2.967 14.112 11.580 293 HZ3 LYS 35 HZ3 LYS 35 3.512 13.036 10.466 294 H VAL 36 H VAL 36 2.032 16.433 4.110 295 HA VAL 36 HA VAL 36 1.494 14.358 2.237 296 HB VAL 36 HB VAL 36 0.027 16.307 2.574 297 HG11 VAL 36 HG11 VAL 36 0.408 18.474 1.601 298 HG12 VAL 36 HG12 VAL 36 1.747 18.116 2.686 299 HG13 VAL 36 HG13 VAL 36 1.976 17.981 0.945 300 HG21 VAL 36 HG21 VAL 36 -0.540 16.647 0.197 301 HG22 VAL 36 HG22 VAL 36 1.027 15.968 -0.253 302 HG23 VAL 36 HG23 VAL 36 -0.170 14.955 0.555 303 HA PRO 37 HA PRO 37 5.573 14.647 0.321 304 HB2 PRO 37 HB3 PRO 37 5.191 12.866 -1.750 305 HB3 PRO 37 HB2 PRO 37 5.480 12.388 -0.057 306 HG2 PRO 37 HG3 PRO 37 2.828 12.577 -1.516 307 HG3 PRO 37 HG2 PRO 37 3.418 11.288 -0.422 308 HD2 PRO 37 HD3 PRO 37 1.740 13.275 0.389 309 HD3 PRO 37 HD2 PRO 37 2.965 12.560 1.482 310 H VAL 38 H VAL 38 2.588 15.569 -1.088 311 HA VAL 38 HA VAL 38 3.707 17.429 -3.055 312 HB VAL 38 HB VAL 38 1.935 16.154 -4.642 313 HG11 VAL 38 HG11 VAL 38 3.785 15.260 -5.916 314 HG12 VAL 38 HG12 VAL 38 4.214 16.818 -5.235 315 HG13 VAL 38 HG13 VAL 38 4.848 15.340 -4.493 316 HG21 VAL 38 HG21 VAL 38 2.173 13.775 -4.741 317 HG22 VAL 38 HG22 VAL 38 3.265 13.768 -3.368 318 HG23 VAL 38 HG23 VAL 38 1.550 14.214 -3.140 319 H GLN 39 H GLN 39 2.582 19.122 -2.189 320 HA GLN 39 HA GLN 39 -0.233 18.856 -1.365 321 HB2 GLN 39 HB2 GLN 39 1.311 20.266 -0.077 322 HB3 GLN 39 HB3 GLN 39 1.619 21.288 -1.464 323 HG2 GLN 39 HG2 GLN 39 -1.278 21.073 -0.858 324 HG3 GLN 39 HG3 GLN 39 -0.345 21.638 0.516 325 HE21 GLN 39 HE21 GLN 39 1.317 23.442 -0.092 326 HE22 GLN 39 HE22 GLN 39 0.680 24.688 -1.192 327 H ASP 40 H ASP 40 1.263 21.281 -3.559 328 HA ASP 40 HA ASP 40 -0.026 20.623 -5.966 329 HB2 ASP 40 HB2 ASP 40 -1.708 22.263 -4.121 330 HB3 ASP 40 HB3 ASP 40 -1.367 23.080 -5.631 331 H GLN 41 H GLN 41 0.847 23.391 -3.859 332 HA GLN 41 HA GLN 41 2.864 24.345 -5.815 333 HB2 GLN 41 HB2 GLN 41 0.420 25.424 -5.950 334 HB3 GLN 41 HB3 GLN 41 0.961 26.318 -4.544 335 HG2 GLN 41 HG2 GLN 41 3.109 26.701 -6.213 336 HG3 GLN 41 HG3 GLN 41 1.842 26.415 -7.400 337 HE21 GLN 41 HE21 GLN 41 1.106 28.321 -8.229 338 HE22 GLN 41 HE22 GLN 41 0.913 29.791 -7.320 339 H VAL 42 H VAL 42 4.633 23.996 -4.607 340 HA VAL 42 HA VAL 42 4.727 25.043 -1.803 341 HB VAL 42 HB VAL 42 6.591 23.587 -1.413 342 HG11 VAL 42 HG11 VAL 42 5.506 21.409 -1.454 343 HG12 VAL 42 HG12 VAL 42 4.311 22.670 -1.090 344 HG13 VAL 42 HG13 VAL 42 4.386 21.953 -2.712 345 HG21 VAL 42 HG21 VAL 42 7.500 21.917 -2.852 346 HG22 VAL 42 HG22 VAL 42 6.351 22.300 -4.139 347 HG23 VAL 42 HG23 VAL 42 7.619 23.467 -3.709 348 H LEU 43 H LEU 43 6.554 26.324 -1.184 349 HA LEU 43 HA LEU 43 7.865 27.791 -3.465 350 HB2 LEU 43 HB2 LEU 43 6.896 28.664 -0.719 351 HB3 LEU 43 HB3 LEU 43 8.231 29.484 -1.500 352 HG LEU 43 HG LEU 43 6.900 30.182 -3.347 353 HD11 LEU 43 HD11 LEU 43 4.457 29.877 -3.413 354 HD12 LEU 43 HD12 LEU 43 5.278 28.329 -3.520 355 HD13 LEU 43 HD13 LEU 43 4.530 28.804 -1.991 356 HD21 LEU 43 HD21 LEU 43 5.461 31.762 -2.194 357 HD22 LEU 43 HD22 LEU 43 5.485 30.775 -0.723 358 HD23 LEU 43 HD23 LEU 43 6.971 31.567 -1.299 359 H LEU 44 H LEU 44 10.069 28.525 -3.028 360 HA LEU 44 HA LEU 44 11.647 26.827 -1.146 361 HB2 LEU 44 HB2 LEU 44 11.982 26.981 -4.204 362 HB3 LEU 44 HB3 LEU 44 13.253 26.528 -3.099 363 HG LEU 44 HG LEU 44 11.613 24.738 -2.207 364 HD11 LEU 44 HD11 LEU 44 10.211 23.688 -3.983 365 HD12 LEU 44 HD12 LEU 44 9.588 25.258 -3.554 366 HD13 LEU 44 HD13 LEU 44 10.518 25.083 -5.037 367 HD21 LEU 44 HD21 LEU 44 12.505 23.101 -3.797 368 HD22 LEU 44 HD22 LEU 44 12.954 24.405 -4.920 369 HD23 LEU 44 HD23 LEU 44 13.750 24.256 -3.330 370 H LEU 45 H LEU 45 12.943 28.160 -0.065 371 HA LEU 45 HA LEU 45 14.334 30.399 -1.410 372 HB2 LEU 45 HB2 LEU 45 12.034 31.181 -0.616 373 HB3 LEU 45 HB3 LEU 45 12.576 30.948 1.038 374 HG LEU 45 HG LEU 45 14.247 32.633 -0.829 375 HD11 LEU 45 HD11 LEU 45 12.911 34.587 -0.399 376 HD12 LEU 45 HD12 LEU 45 11.858 33.316 -1.022 377 HD13 LEU 45 HD13 LEU 45 11.829 33.692 0.706 378 HD21 LEU 45 HD21 LEU 45 14.725 33.939 1.216 379 HD22 LEU 45 HD22 LEU 45 13.626 32.908 2.154 380 HD23 LEU 45 HD23 LEU 45 15.135 32.241 1.477 381 H GLY 46 H GLY 46 16.325 29.838 -0.912 382 HA2 GLY 46 HA2 GLY 46 18.228 29.834 0.390 383 HA3 GLY 46 HA3 GLY 46 17.255 29.908 1.855 384 H SER 47 H SER 47 17.255 27.510 -0.820 385 HA SER 47 HA SER 47 17.434 25.288 -0.909 386 HB2 SER 47 HB2 SER 47 19.736 25.867 -0.055 387 HB3 SER 47 HB3 SER 47 19.189 25.348 1.555 388 HG SER 47 HG SER 47 20.170 23.633 0.433 389 H LYS 48 H LYS 48 15.482 26.618 1.172 390 HA LYS 48 HA LYS 48 14.485 24.063 2.355 391 HB2 LYS 48 HB2 LYS 48 13.811 25.380 4.349 392 HB3 LYS 48 HB3 LYS 48 15.565 25.367 4.118 393 HG2 LYS 48 HG2 LYS 48 15.476 27.639 3.172 394 HG3 LYS 48 HG3 LYS 48 13.708 27.654 3.342 395 HD2 LYS 48 HD2 LYS 48 13.949 27.465 5.782 396 HD3 LYS 48 HD3 LYS 48 15.725 27.491 5.614 397 HE2 LYS 48 HE2 LYS 48 15.785 29.716 4.912 398 HE3 LYS 48 HE3 LYS 48 14.137 29.686 4.299 399 HZ1 LYS 48 HZ1 LYS 48 14.314 30.956 6.344 400 HZ2 LYS 48 HZ2 LYS 48 13.333 29.638 6.551 401 HZ3 LYS 48 HZ3 LYS 48 14.862 29.632 7.162 402 H ILE 49 H ILE 49 12.205 23.977 2.673 403 HA ILE 49 HA ILE 49 10.735 25.246 0.518 404 HB ILE 49 HB ILE 49 9.776 23.506 2.845 405 HG12 ILE 49 HG12 ILE 49 11.302 22.216 1.487 406 HG13 ILE 49 HG13 ILE 49 9.661 21.636 1.280 407 HG21 ILE 49 HG21 ILE 49 7.741 23.064 1.467 408 HG22 ILE 49 HG22 ILE 49 7.869 24.751 1.973 409 HG23 ILE 49 HG23 ILE 49 8.278 24.293 0.310 410 HD11 ILE 49 HD11 ILE 49 10.848 21.640 -0.856 411 HD12 ILE 49 HD12 ILE 49 9.529 22.826 -0.929 412 HD13 ILE 49 HD13 ILE 49 11.218 23.348 -0.668 413 H LEU 50 H LEU 50 9.553 27.016 0.606 414 HA LEU 50 HA LEU 50 9.107 28.431 3.188 415 HB2 LEU 50 HB2 LEU 50 9.894 29.338 0.578 416 HB3 LEU 50 HB3 LEU 50 8.241 29.849 0.754 417 HG LEU 50 HG LEU 50 9.907 31.542 1.379 418 HD11 LEU 50 HD11 LEU 50 8.721 32.395 3.279 419 HD12 LEU 50 HD12 LEU 50 7.567 31.600 2.228 420 HD13 LEU 50 HD13 LEU 50 8.103 30.790 3.714 421 HD21 LEU 50 HD21 LEU 50 11.228 31.432 3.334 422 HD22 LEU 50 HD22 LEU 50 10.382 30.000 3.962 423 HD23 LEU 50 HD23 LEU 50 11.452 29.850 2.575 424 H LYS 51 H LYS 51 7.053 29.266 3.596 425 HA LYS 51 HA LYS 51 4.765 27.733 2.473 426 HB2 LYS 51 HB2 LYS 51 5.448 27.079 4.842 427 HB3 LYS 51 HB3 LYS 51 5.189 28.756 5.309 428 HG2 LYS 51 HG2 LYS 51 3.262 27.607 6.032 429 HG3 LYS 51 HG3 LYS 51 2.784 28.519 4.615 430 HD2 LYS 51 HD2 LYS 51 3.126 26.327 3.266 431 HD3 LYS 51 HD3 LYS 51 3.374 25.550 4.805 432 HE2 LYS 51 HE2 LYS 51 1.054 25.260 3.998 433 HE3 LYS 51 HE3 LYS 51 1.141 26.077 5.558 434 HZ1 LYS 51 HZ1 LYS 51 -0.436 27.123 4.099 435 HZ2 LYS 51 HZ2 LYS 51 0.789 28.170 4.411 436 HZ3 LYS 51 HZ3 LYS 51 0.711 27.401 2.943 437 HA PRO 52 HA PRO 52 3.311 31.976 1.634 438 HB2 PRO 52 HB3 PRO 52 0.680 31.403 1.049 439 HB3 PRO 52 HB2 PRO 52 2.027 30.990 -0.049 440 HG2 PRO 52 HG3 PRO 52 0.692 29.168 1.948 441 HG3 PRO 52 HG2 PRO 52 0.980 28.876 0.198 442 HD2 PRO 52 HD3 PRO 52 2.683 27.956 2.056 443 HD3 PRO 52 HD2 PRO 52 3.322 28.638 0.540 444 H ARG 53 H ARG 53 1.446 33.319 2.528 445 HA ARG 53 HA ARG 53 0.474 34.481 4.146 446 HB2 ARG 53 HB2 ARG 53 -0.392 31.832 5.370 447 HB3 ARG 53 HB3 ARG 53 -1.182 33.391 5.460 448 HG2 ARG 53 HG2 ARG 53 -2.479 32.715 3.756 449 HG3 ARG 53 HG3 ARG 53 -1.107 32.913 2.699 450 HD2 ARG 53 HD2 ARG 53 -1.738 30.698 2.250 451 HD3 ARG 53 HD3 ARG 53 -0.434 30.486 3.416 452 HE ARG 53 HE ARG 53 -1.962 29.617 4.960 453 HH11 ARG 53 HH11 ARG 53 -3.784 31.317 2.491 454 HH12 ARG 53 HH12 ARG 53 -5.313 30.742 3.079 455 HH21 ARG 53 HH21 ARG 53 -3.915 28.837 5.661 456 HH22 ARG 53 HH22 ARG 53 -5.373 29.362 4.881 457 H ARG 54 H ARG 54 2.276 35.354 5.022 458 HA ARG 54 HA ARG 54 2.879 34.685 7.804 459 HB2 ARG 54 HB2 ARG 54 4.523 33.355 6.286 460 HB3 ARG 54 HB3 ARG 54 5.146 34.884 5.739 461 HG2 ARG 54 HG2 ARG 54 5.646 35.438 8.237 462 HG3 ARG 54 HG3 ARG 54 5.197 33.803 8.607 463 HD2 ARG 54 HD2 ARG 54 7.567 33.861 8.417 464 HD3 ARG 54 HD3 ARG 54 6.989 33.076 6.930 465 HE ARG 54 HE ARG 54 7.327 35.963 6.748 466 HH11 ARG 54 HH11 ARG 54 8.941 32.893 6.301 467 HH12 ARG 54 HH12 ARG 54 10.107 33.532 5.177 468 HH21 ARG 54 HH21 ARG 54 8.859 36.749 5.313 469 HH22 ARG 54 HH22 ARG 54 10.074 35.717 4.626 470 H SER 55 H SER 55 3.502 36.484 8.844 471 HA SER 55 HA SER 55 3.877 38.591 9.496 472 HB2 SER 55 HB2 SER 55 5.181 39.364 6.912 473 HB3 SER 55 HB3 SER 55 5.655 39.667 8.586 474 HG SER 55 HG SER 55 7.068 38.275 7.506 475 H LEU 56 H LEU 56 3.224 40.755 9.326 476 HA LEU 56 HA LEU 56 0.951 41.116 7.407 477 HB2 LEU 56 HB2 LEU 56 1.034 42.598 10.002 478 HB3 LEU 56 HB3 LEU 56 -0.324 42.010 9.068 479 HG LEU 56 HG LEU 56 1.480 40.346 10.883 480 HD11 LEU 56 HD11 LEU 56 -0.454 40.268 12.371 481 HD12 LEU 56 HD12 LEU 56 0.027 41.944 12.066 482 HD13 LEU 56 HD13 LEU 56 -1.398 41.269 11.244 483 HD21 LEU 56 HD21 LEU 56 -0.201 38.551 10.676 484 HD22 LEU 56 HD22 LEU 56 -1.072 39.488 9.443 485 HD23 LEU 56 HD23 LEU 56 0.569 38.879 9.132 486 H SER 57 H SER 57 3.380 42.927 9.306 487 HA SER 57 HA SER 57 4.200 44.546 7.132 488 HB2 SER 57 HB2 SER 57 2.376 45.918 7.388 489 HB3 SER 57 HB3 SER 57 2.166 45.554 9.085 490 HG SER 57 HG SER 57 2.802 47.647 8.828 491 H SER 58 H SER 58 5.896 46.175 7.990 492 HA SER 58 HA SER 58 7.782 46.617 9.041 493 HB2 SER 58 HB2 SER 58 5.855 46.984 10.844 494 HB3 SER 58 HB3 SER 58 6.814 45.769 11.726 495 HG SER 58 HG SER 58 7.444 47.987 12.085 496 H TYR 59 H TYR 59 7.342 43.700 8.227 497 HA TYR 59 HA TYR 59 8.998 42.206 10.133 498 HB2 TYR 59 HB2 TYR 59 6.965 41.275 9.083 499 HB3 TYR 59 HB3 TYR 59 7.669 41.432 7.478 500 HD1 TYR 59 HD2 TYR 59 9.573 39.945 6.774 501 HD2 TYR 59 HD1 TYR 59 7.628 39.489 10.592 502 HE1 TYR 59 HE2 TYR 59 10.642 37.720 7.043 503 HE2 TYR 59 HE1 TYR 59 8.650 37.232 10.845 504 HH TYR 59 HH TYR 59 10.926 35.927 8.424 505 H GLY 60 H GLY 60 9.193 42.765 6.560 506 HA2 GLY 60 HA2 GLY 60 12.161 42.916 6.693 507 HA3 GLY 60 HA3 GLY 60 11.399 41.721 5.628 508 H ILE 61 H ILE 61 9.531 44.552 5.913 509 HA ILE 61 HA ILE 61 10.598 45.732 3.388 510 HB ILE 61 HB ILE 61 8.018 46.257 3.072 511 HG12 ILE 61 HG12 ILE 61 6.484 44.449 3.713 512 HG13 ILE 61 HG13 ILE 61 7.705 43.677 4.673 513 HG21 ILE 61 HG21 ILE 61 7.874 44.262 1.652 514 HG22 ILE 61 HG22 ILE 61 9.486 44.958 1.588 515 HG23 ILE 61 HG23 ILE 61 9.190 43.506 2.561 516 HD11 ILE 61 HD11 ILE 61 5.985 44.999 5.943 517 HD12 ILE 61 HD12 ILE 61 7.647 45.487 6.290 518 HD13 ILE 61 HD13 ILE 61 6.628 46.482 5.215 519 H ASP 62 H ASP 62 10.075 47.935 3.102 520 HA ASP 62 HA ASP 62 10.172 49.470 5.630 521 HB2 ASP 62 HB2 ASP 62 11.090 51.258 4.104 522 HB3 ASP 62 HB3 ASP 62 12.083 49.814 4.238 523 H LYS 63 H LYS 63 8.568 49.507 2.399 524 HA LYS 63 HA LYS 63 6.113 50.704 3.532 525 HB2 LYS 63 HB2 LYS 63 7.922 52.042 1.457 526 HB3 LYS 63 HB3 LYS 63 6.181 52.292 1.445 527 HG2 LYS 63 HG2 LYS 63 6.367 53.898 2.929 528 HG3 LYS 63 HG3 LYS 63 6.888 52.743 4.141 529 HD2 LYS 63 HD2 LYS 63 9.271 53.096 3.369 530 HD3 LYS 63 HD3 LYS 63 8.661 54.305 2.220 531 HE2 LYS 63 HE2 LYS 63 7.458 55.208 4.472 532 HE3 LYS 63 HE3 LYS 63 8.832 54.389 5.234 533 HZ1 LYS 63 HZ1 LYS 63 9.330 56.690 4.748 534 HZ2 LYS 63 HZ2 LYS 63 10.284 55.721 3.817 535 HZ3 LYS 63 HZ3 LYS 63 8.985 56.482 3.151 536 H GLU 64 H GLU 64 7.375 50.342 0.207 537 HA GLU 64 HA GLU 64 5.591 48.059 -0.347 538 HB2 GLU 64 HB2 GLU 64 4.079 49.922 -0.640 539 HB3 GLU 64 HB3 GLU 64 5.241 50.808 -1.636 540 HG2 GLU 64 HG2 GLU 64 4.993 49.288 -3.464 541 HG3 GLU 64 HG3 GLU 64 4.259 48.052 -2.437 542 H LYS 65 H LYS 65 7.174 46.815 -0.984 543 HA LYS 65 HA LYS 65 8.726 47.536 -3.404 544 HB2 LYS 65 HB2 LYS 65 9.859 47.107 -0.713 545 HB3 LYS 65 HB3 LYS 65 10.402 45.820 -1.795 546 HG2 LYS 65 HG2 LYS 65 11.209 47.445 -3.437 547 HG3 LYS 65 HG3 LYS 65 10.491 48.768 -2.532 548 HD2 LYS 65 HD2 LYS 65 12.527 49.083 -1.711 549 HD3 LYS 65 HD3 LYS 65 12.148 47.784 -0.591 550 HE2 LYS 65 HE2 LYS 65 13.381 46.177 -1.876 551 HE3 LYS 65 HE3 LYS 65 13.410 47.236 -3.309 552 HZ1 LYS 65 HZ1 LYS 65 15.527 47.266 -2.147 553 HZ2 LYS 65 HZ2 LYS 65 14.825 48.751 -2.100 554 HZ3 LYS 65 HZ3 LYS 65 14.800 47.805 -0.764 555 H THR 66 H THR 66 9.199 45.820 -4.686 556 HA THR 66 HA THR 66 7.487 43.430 -4.392 557 HB THR 66 HB THR 66 8.477 43.040 -6.780 558 HG1 THR 66 HG1 THR 66 9.131 44.923 -7.826 559 HG21 THR 66 HG21 THR 66 6.801 44.571 -7.792 560 HG22 THR 66 HG22 THR 66 6.169 43.732 -6.371 561 HG23 THR 66 HG23 THR 66 6.656 45.426 -6.242 562 H ILE 67 H ILE 67 8.392 41.373 -4.787 563 HA ILE 67 HA ILE 67 11.242 40.970 -3.999 564 HB ILE 67 HB ILE 67 9.793 38.912 -2.774 565 HG12 ILE 67 HG12 ILE 67 7.655 40.195 -2.854 566 HG13 ILE 67 HG13 ILE 67 8.202 39.614 -1.280 567 HG21 ILE 67 HG21 ILE 67 10.646 39.825 -0.664 568 HG22 ILE 67 HG22 ILE 67 11.850 39.860 -1.973 569 HG23 ILE 67 HG23 ILE 67 11.015 41.357 -1.496 570 HD11 ILE 67 HD11 ILE 67 7.123 41.851 -1.248 571 HD12 ILE 67 HD12 ILE 67 8.722 41.764 -0.481 572 HD13 ILE 67 HD13 ILE 67 8.542 42.496 -2.085 573 H HIS 68 H HIS 68 12.073 39.028 -4.720 574 HA HIS 68 HA HIS 68 10.452 37.450 -6.674 575 HB2 HIS 68 HB2 HIS 68 11.831 39.183 -7.845 576 HB3 HIS 68 HB3 HIS 68 13.291 38.510 -7.120 577 HD2 HIS 68 HD2 HIS 68 13.634 35.699 -7.763 578 HE1 HIS 68 HE1 HIS 68 11.947 36.258 -11.630 579 HE2 HIS 68 HE2 HIS 68 13.358 34.713 -10.172 580 H LEU 69 H LEU 69 10.559 35.442 -6.241 581 HA LEU 69 HA LEU 69 12.883 34.118 -4.969 582 HB2 LEU 69 HB2 LEU 69 10.853 32.985 -3.512 583 HB3 LEU 69 HB3 LEU 69 11.957 34.221 -2.985 584 HG LEU 69 HG LEU 69 10.203 35.966 -3.516 585 HD11 LEU 69 HD11 LEU 69 7.891 35.242 -3.783 586 HD12 LEU 69 HD12 LEU 69 8.837 34.481 -5.040 587 HD13 LEU 69 HD13 LEU 69 8.351 33.539 -3.618 588 HD21 LEU 69 HD21 LEU 69 8.905 35.538 -1.474 589 HD22 LEU 69 HD22 LEU 69 9.477 33.864 -1.438 590 HD23 LEU 69 HD23 LEU 69 10.606 35.239 -1.227 591 H THR 70 H THR 70 12.508 31.704 -4.957 592 HA THR 70 HA THR 70 11.357 30.949 -7.594 593 HB THR 70 HB THR 70 12.803 28.956 -7.392 594 HG1 THR 70 HG1 THR 70 14.392 28.916 -5.731 595 HG21 THR 70 HG21 THR 70 14.981 30.037 -7.671 596 HG22 THR 70 HG22 THR 70 13.729 31.022 -8.427 597 HG23 THR 70 HG23 THR 70 14.406 31.499 -6.859 598 H LEU 71 H LEU 71 9.905 29.255 -7.736 599 HA LEU 71 HA LEU 71 9.059 27.828 -5.288 600 HB2 LEU 71 HB2 LEU 71 7.076 28.733 -5.112 601 HB3 LEU 71 HB3 LEU 71 7.490 29.954 -6.252 602 HG LEU 71 HG LEU 71 5.998 27.358 -6.857 603 HD11 LEU 71 HD11 LEU 71 4.079 29.050 -7.214 604 HD12 LEU 71 HD12 LEU 71 4.505 28.561 -5.589 605 HD13 LEU 71 HD13 LEU 71 5.032 30.126 -6.205 606 HD21 LEU 71 HD21 LEU 71 5.409 28.282 -8.997 607 HD22 LEU 71 HD22 LEU 71 6.291 29.772 -8.686 608 HD23 LEU 71 HD23 LEU 71 7.148 28.228 -8.850 609 H LYS 72 H LYS 72 7.653 25.947 -5.903 610 HA LYS 72 HA LYS 72 7.904 25.038 -8.700 611 HB2 LYS 72 HB2 LYS 72 9.993 24.196 -7.527 612 HB3 LYS 72 HB3 LYS 72 8.962 23.372 -6.355 613 HG2 LYS 72 HG2 LYS 72 7.888 22.311 -8.603 614 HG3 LYS 72 HG3 LYS 72 9.462 22.749 -9.271 615 HD2 LYS 72 HD2 LYS 72 8.933 21.008 -6.821 616 HD3 LYS 72 HD3 LYS 72 9.383 20.421 -8.433 617 HE2 LYS 72 HE2 LYS 72 11.545 21.611 -8.298 618 HE3 LYS 72 HE3 LYS 72 11.105 22.260 -6.713 619 HZ1 LYS 72 HZ1 LYS 72 12.502 20.284 -6.535 620 HZ2 LYS 72 HZ2 LYS 72 11.021 20.011 -5.863 621 HZ3 LYS 72 HZ3 LYS 72 11.389 19.385 -7.344 622 H VAL 73 H VAL 73 6.006 24.182 -9.223 623 HA VAL 73 HA VAL 73 4.150 23.261 -7.089 624 HB VAL 73 HB VAL 73 2.574 24.435 -8.011 625 HG11 VAL 73 HG11 VAL 73 2.890 26.146 -9.719 626 HG12 VAL 73 HG12 VAL 73 4.202 26.165 -8.545 627 HG13 VAL 73 HG13 VAL 73 4.447 25.447 -10.161 628 HG21 VAL 73 HG21 VAL 73 1.628 24.170 -10.212 629 HG22 VAL 73 HG22 VAL 73 3.054 23.276 -10.764 630 HG23 VAL 73 HG23 VAL 73 1.986 22.618 -9.500 631 H VAL 74 H VAL 74 3.348 21.308 -7.155 632 HA VAL 74 HA VAL 74 3.905 19.438 -9.318 633 HB VAL 74 HB VAL 74 4.863 17.754 -7.687 634 HG11 VAL 74 HG11 VAL 74 7.153 18.441 -7.986 635 HG12 VAL 74 HG12 VAL 74 6.232 18.959 -9.407 636 HG13 VAL 74 HG13 VAL 74 6.675 20.144 -8.172 637 HG21 VAL 74 HG21 VAL 74 6.011 18.445 -5.695 638 HG22 VAL 74 HG22 VAL 74 5.653 20.167 -5.990 639 HG23 VAL 74 HG23 VAL 74 4.358 19.047 -5.556 640 H LYS 75 H LYS 75 2.386 17.920 -9.471 641 HA LYS 75 HA LYS 75 0.474 16.743 -9.190 642 HB2 LYS 75 HB2 LYS 75 1.895 16.625 -6.713 643 HB3 LYS 75 HB3 LYS 75 0.210 16.707 -6.302 644 HG2 LYS 75 HG2 LYS 75 1.023 14.709 -8.433 645 HG3 LYS 75 HG3 LYS 75 1.650 14.461 -6.821 646 HD2 LYS 75 HD2 LYS 75 -0.790 14.735 -5.986 647 HD3 LYS 75 HD3 LYS 75 -1.265 14.461 -7.658 648 HE2 LYS 75 HE2 LYS 75 0.685 12.613 -6.207 649 HE3 LYS 75 HE3 LYS 75 -1.054 12.456 -5.939 650 HZ1 LYS 75 HZ1 LYS 75 -0.256 10.988 -7.684 651 HZ2 LYS 75 HZ2 LYS 75 -1.348 12.078 -8.280 652 HZ3 LYS 75 HZ3 LYS 75 0.262 12.269 -8.580 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 1.327 44.565 0.006 2 H2 LEU 1 H2 LEU 1 2.443 43.674 0.802 3 H3 LEU 1 H3 LEU 1 2.503 45.326 0.891 4 HA LEU 1 HA LEU 1 2.974 45.532 -1.435 5 HB2 LEU 1 HB2 LEU 1 5.040 43.540 -0.489 6 HB3 LEU 1 HB3 LEU 1 5.233 45.014 -1.394 7 HG LEU 1 HG LEU 1 4.632 44.795 1.592 8 HD11 LEU 1 HD11 LEU 1 6.890 45.752 1.796 9 HD12 LEU 1 HD12 LEU 1 6.936 44.189 0.947 10 HD13 LEU 1 HD13 LEU 1 7.076 45.721 0.050 11 HD21 LEU 1 HD21 LEU 1 5.065 47.281 1.581 12 HD22 LEU 1 HD22 LEU 1 4.974 47.229 -0.194 13 HD23 LEU 1 HD23 LEU 1 3.555 46.851 0.793 14 H CYS 2 H CYS 2 4.532 43.600 -2.935 15 HA CYS 2 HA CYS 2 2.795 41.225 -3.193 16 HB2 CYS 2 HB2 CYS 2 2.736 41.466 -5.662 17 HB3 CYS 2 HB3 CYS 2 1.815 42.720 -4.813 18 HG CYS 2 HG CYS 2 2.860 43.818 -6.882 19 H VAL 3 H VAL 3 3.801 39.460 -4.005 20 HA VAL 3 HA VAL 3 6.783 39.521 -4.246 21 HB VAL 3 HB VAL 3 6.487 37.132 -3.197 22 HG11 VAL 3 HG11 VAL 3 6.889 38.020 -0.934 23 HG12 VAL 3 HG12 VAL 3 7.753 38.921 -2.178 24 HG13 VAL 3 HG13 VAL 3 6.303 39.630 -1.468 25 HG21 VAL 3 HG21 VAL 3 4.802 36.746 -1.593 26 HG22 VAL 3 HG22 VAL 3 4.207 38.420 -1.681 27 HG23 VAL 3 HG23 VAL 3 3.968 37.315 -3.034 28 H HIS 4 H HIS 4 7.645 38.202 -5.750 29 HA HIS 4 HA HIS 4 5.747 37.116 -7.787 30 HB2 HIS 4 HB2 HIS 4 8.623 38.085 -8.194 31 HB3 HIS 4 HB3 HIS 4 7.428 37.714 -9.419 32 HD2 HIS 4 HD2 HIS 4 9.070 40.551 -8.900 33 HE1 HIS 4 HE1 HIS 4 5.145 42.103 -8.294 34 HE2 HIS 4 HE2 HIS 4 7.573 42.708 -8.810 35 H VAL 5 H VAL 5 6.242 35.168 -8.744 36 HA VAL 5 HA VAL 5 8.234 33.429 -7.377 37 HB VAL 5 HB VAL 5 6.354 31.705 -7.559 38 HG11 VAL 5 HG11 VAL 5 5.515 32.313 -5.362 39 HG12 VAL 5 HG12 VAL 5 7.245 32.634 -5.464 40 HG13 VAL 5 HG13 VAL 5 6.079 33.983 -5.562 41 HG21 VAL 5 HG21 VAL 5 4.033 32.554 -7.314 42 HG22 VAL 5 HG22 VAL 5 4.561 34.200 -7.650 43 HG23 VAL 5 HG23 VAL 5 4.679 32.934 -8.895 44 H ARG 6 H ARG 6 9.452 32.360 -8.627 45 HA ARG 6 HA ARG 6 9.215 32.470 -11.556 46 HB2 ARG 6 HB2 ARG 6 11.243 31.106 -9.708 47 HB3 ARG 6 HB3 ARG 6 11.451 31.235 -11.431 48 HG2 ARG 6 HG2 ARG 6 11.413 33.579 -9.516 49 HG3 ARG 6 HG3 ARG 6 12.843 32.808 -10.201 50 HD2 ARG 6 HD2 ARG 6 11.089 33.462 -12.397 51 HD3 ARG 6 HD3 ARG 6 11.166 34.877 -11.334 52 HE ARG 6 HE ARG 6 13.793 33.739 -11.898 53 HH11 ARG 6 HH11 ARG 6 11.347 35.850 -13.279 54 HH12 ARG 6 HH12 ARG 6 12.487 36.708 -14.266 55 HH21 ARG 6 HH21 ARG 6 15.234 34.887 -13.168 56 HH22 ARG 6 HH22 ARG 6 14.674 36.146 -14.205 57 H SER 7 H SER 7 9.971 30.340 -12.638 58 HA SER 7 HA SER 7 9.425 28.378 -13.452 59 HB2 SER 7 HB2 SER 7 8.100 27.533 -10.912 60 HB3 SER 7 HB3 SER 7 8.671 26.522 -12.246 61 HG SER 7 HG SER 7 9.971 27.247 -10.142 62 H GLU 8 H GLU 8 7.274 26.894 -13.818 63 HA GLU 8 HA GLU 8 5.338 28.810 -14.917 64 HB2 GLU 8 HB2 GLU 8 6.133 26.727 -16.093 65 HB3 GLU 8 HB3 GLU 8 5.356 25.740 -14.875 66 HG2 GLU 8 HG2 GLU 8 3.535 27.766 -16.055 67 HG3 GLU 8 HG3 GLU 8 4.244 26.713 -17.256 68 H GLU 9 H GLU 9 3.891 29.655 -13.614 69 HA GLU 9 HA GLU 9 2.364 27.986 -11.731 70 HB2 GLU 9 HB2 GLU 9 4.363 29.158 -10.584 71 HB3 GLU 9 HB3 GLU 9 3.515 30.684 -10.899 72 HG2 GLU 9 HG2 GLU 9 1.509 29.756 -9.685 73 HG3 GLU 9 HG3 GLU 9 2.435 28.283 -9.368 74 H TRP 10 H TRP 10 0.320 28.373 -11.949 75 HA TRP 10 HA TRP 10 -0.718 30.465 -13.699 76 HB2 TRP 10 HB2 TRP 10 -2.828 29.214 -13.392 77 HB3 TRP 10 HB3 TRP 10 -1.512 28.144 -13.856 78 HD1 TRP 10 HD1 TRP 10 -0.752 26.302 -12.129 79 HE1 TRP 10 HE1 TRP 10 -1.706 25.381 -9.929 80 HE3 TRP 10 HE3 TRP 10 -4.235 29.928 -11.186 81 HZ2 TRP 10 HZ2 TRP 10 -3.764 26.086 -8.043 82 HZ3 TRP 10 HZ3 TRP 10 -5.663 29.799 -9.157 83 HH2 TRP 10 HH2 TRP 10 -5.447 27.883 -7.592 84 H ASP 11 H ASP 11 -0.108 30.206 -10.348 85 HA ASP 11 HA ASP 11 -2.109 32.317 -9.668 86 HB2 ASP 11 HB2 ASP 11 -2.139 29.961 -8.479 87 HB3 ASP 11 HB3 ASP 11 -0.711 30.554 -7.629 88 H LEU 12 H LEU 12 -1.283 33.713 -7.883 89 HA LEU 12 HA LEU 12 1.613 34.349 -8.077 90 HB2 LEU 12 HB2 LEU 12 0.918 36.795 -8.067 91 HB3 LEU 12 HB3 LEU 12 0.827 35.936 -9.570 92 HG LEU 12 HG LEU 12 -0.966 37.616 -9.087 93 HD11 LEU 12 HD11 LEU 12 -2.726 36.443 -10.210 94 HD12 LEU 12 HD12 LEU 12 -1.168 35.916 -10.866 95 HD13 LEU 12 HD13 LEU 12 -2.072 34.870 -9.756 96 HD21 LEU 12 HD21 LEU 12 -2.898 37.096 -7.769 97 HD22 LEU 12 HD22 LEU 12 -2.234 35.514 -7.316 98 HD23 LEU 12 HD23 LEU 12 -1.455 37.007 -6.728 99 H MET 13 H MET 13 2.346 35.673 -6.337 100 HA MET 13 HA MET 13 0.852 35.102 -3.818 101 HB2 MET 13 HB2 MET 13 3.861 35.450 -4.320 102 HB3 MET 13 HB3 MET 13 3.104 35.127 -2.767 103 HG2 MET 13 HG2 MET 13 3.266 33.309 -5.180 104 HG3 MET 13 HG3 MET 13 4.012 33.089 -3.606 105 HE1 MET 13 HE1 MET 13 0.767 32.341 -1.400 106 HE2 MET 13 HE2 MET 13 2.410 33.052 -1.387 107 HE3 MET 13 HE3 MET 13 1.014 34.017 -1.935 108 H THR 14 H THR 14 1.037 36.686 -2.128 109 HA THR 14 HA THR 14 1.734 39.449 -2.921 110 HB THR 14 HB THR 14 -0.662 39.168 -3.479 111 HG1 THR 14 HG1 THR 14 -1.278 40.997 -2.280 112 HG21 THR 14 HG21 THR 14 -2.370 38.994 -1.733 113 HG22 THR 14 HG22 THR 14 -1.380 37.533 -1.742 114 HG23 THR 14 HG23 THR 14 -1.136 38.763 -0.481 115 H PHE 15 H PHE 15 2.203 40.780 -1.157 116 HA PHE 15 HA PHE 15 3.126 39.229 1.209 117 HB2 PHE 15 HB2 PHE 15 4.629 40.765 -0.312 118 HB3 PHE 15 HB3 PHE 15 3.886 42.087 0.550 119 HD1 PHE 15 HD1 PHE 15 5.814 38.944 1.007 120 HD2 PHE 15 HD2 PHE 15 4.664 42.703 2.774 121 HE1 PHE 15 HE1 PHE 15 7.465 38.598 2.829 122 HE2 PHE 15 HE2 PHE 15 6.294 42.345 4.603 123 HZ PHE 15 HZ PHE 15 7.716 40.300 4.623 124 H ASP 16 H ASP 16 1.135 39.086 2.192 125 HA ASP 16 HA ASP 16 0.141 41.467 3.628 126 HB2 ASP 16 HB2 ASP 16 -1.164 40.341 1.327 127 HB3 ASP 16 HB3 ASP 16 -2.054 39.741 2.718 128 H ALA 17 H ALA 17 -1.082 40.895 5.490 129 HA ALA 17 HA ALA 17 -1.010 38.086 6.440 130 HB1 ALA 17 HB1 ALA 17 0.026 38.819 8.568 131 HB2 ALA 17 HB2 ALA 17 1.126 39.095 7.208 132 HB3 ALA 17 HB3 ALA 17 0.244 40.459 7.937 133 H ASN 18 H ASN 18 -2.723 37.626 7.573 134 HA ASN 18 HA ASN 18 -4.742 39.737 8.231 135 HB2 ASN 18 HB2 ASN 18 -4.873 36.950 7.106 136 HB3 ASN 18 HB3 ASN 18 -6.054 37.308 8.346 137 HD21 ASN 18 HD21 ASN 18 -4.706 39.423 5.727 138 HD22 ASN 18 HD22 ASN 18 -6.283 39.793 5.093 139 HA PRO 19 HA PRO 19 -4.366 38.742 12.529 140 HB2 PRO 19 HB3 PRO 19 -6.845 39.229 13.531 141 HB3 PRO 19 HB2 PRO 19 -5.838 40.508 12.799 142 HG2 PRO 19 HG3 PRO 19 -8.041 38.918 11.444 143 HG3 PRO 19 HG2 PRO 19 -7.829 40.699 11.486 144 HD2 PRO 19 HD3 PRO 19 -6.960 39.193 9.407 145 HD3 PRO 19 HD2 PRO 19 -6.045 40.624 9.964 146 H TYR 20 H TYR 20 -3.798 36.556 11.908 147 HA TYR 20 HA TYR 20 -5.832 34.522 12.818 148 HB2 TYR 20 HB2 TYR 20 -3.805 34.497 10.600 149 HB3 TYR 20 HB3 TYR 20 -3.893 33.043 11.557 150 HD1 TYR 20 HD2 TYR 20 -5.891 35.223 9.331 151 HD2 TYR 20 HD1 TYR 20 -5.695 31.515 11.517 152 HE1 TYR 20 HE2 TYR 20 -7.870 34.379 8.075 153 HE2 TYR 20 HE1 TYR 20 -7.653 30.662 10.253 154 HH TYR 20 HH TYR 20 -9.336 32.638 7.794 155 H ASP 21 H ASP 21 -2.348 33.910 12.628 156 HA ASP 21 HA ASP 21 -1.753 34.683 15.287 157 HB2 ASP 21 HB2 ASP 21 -2.981 32.083 14.956 158 HB3 ASP 21 HB3 ASP 21 -1.287 31.759 15.223 159 H SER 22 H SER 22 0.529 34.048 15.816 160 HA SER 22 HA SER 22 2.249 34.008 13.464 161 HB2 SER 22 HB2 SER 22 4.018 34.613 14.884 162 HB3 SER 22 HB3 SER 22 2.614 35.531 15.470 163 HG SER 22 HG SER 22 3.929 34.449 17.111 164 H VAL 23 H VAL 23 1.400 31.851 16.142 165 HA VAL 23 HA VAL 23 3.260 29.775 15.449 166 HB VAL 23 HB VAL 23 1.911 28.319 16.911 167 HG11 VAL 23 HG11 VAL 23 2.534 29.437 18.999 168 HG12 VAL 23 HG12 VAL 23 3.805 29.613 17.772 169 HG13 VAL 23 HG13 VAL 23 2.718 30.979 18.148 170 HG21 VAL 23 HG21 VAL 23 0.129 29.245 18.305 171 HG22 VAL 23 HG22 VAL 23 0.221 30.791 17.474 172 HG23 VAL 23 HG23 VAL 23 -0.328 29.344 16.601 173 H LEU 24 H LEU 24 0.148 30.738 14.190 174 HA LEU 24 HA LEU 24 -0.615 28.245 13.048 175 HB2 LEU 24 HB2 LEU 24 -1.596 30.952 13.015 176 HB3 LEU 24 HB3 LEU 24 -1.391 30.466 11.343 177 HG LEU 24 HG LEU 24 -3.639 30.046 12.091 178 HD11 LEU 24 HD11 LEU 24 -3.939 27.724 11.452 179 HD12 LEU 24 HD12 LEU 24 -2.702 28.477 10.438 180 HD13 LEU 24 HD13 LEU 24 -2.227 27.379 11.749 181 HD21 LEU 24 HD21 LEU 24 -4.228 28.455 13.835 182 HD22 LEU 24 HD22 LEU 24 -2.524 28.137 14.193 183 HD23 LEU 24 HD23 LEU 24 -3.219 29.733 14.503 184 H LYS 25 H LYS 25 1.866 30.572 12.091 185 HA LYS 25 HA LYS 25 1.979 29.643 9.355 186 HB2 LYS 25 HB2 LYS 25 2.974 31.889 10.777 187 HB3 LYS 25 HB3 LYS 25 4.421 30.993 10.348 188 HG2 LYS 25 HG2 LYS 25 2.852 30.933 7.985 189 HG3 LYS 25 HG3 LYS 25 2.559 32.524 8.679 190 HD2 LYS 25 HD2 LYS 25 4.343 32.739 7.155 191 HD3 LYS 25 HD3 LYS 25 5.096 32.819 8.759 192 HE2 LYS 25 HE2 LYS 25 5.980 30.621 8.582 193 HE3 LYS 25 HE3 LYS 25 4.789 30.150 7.352 194 HZ1 LYS 25 HZ1 LYS 25 6.970 30.499 6.401 195 HZ2 LYS 25 HZ2 LYS 25 5.872 31.542 5.768 196 HZ3 LYS 25 HZ3 LYS 25 6.982 32.076 6.883 197 H ILE 26 H ILE 26 4.052 29.095 12.205 198 HA ILE 26 HA ILE 26 5.841 27.234 10.874 199 HB ILE 26 HB ILE 26 6.663 28.402 12.775 200 HG12 ILE 26 HG12 ILE 26 6.275 25.447 13.467 201 HG13 ILE 26 HG13 ILE 26 7.511 26.134 12.399 202 HG21 ILE 26 HG21 ILE 26 5.814 28.233 15.054 203 HG22 ILE 26 HG22 ILE 26 4.546 28.822 13.992 204 HG23 ILE 26 HG23 ILE 26 4.530 27.125 14.539 205 HD11 ILE 26 HD11 ILE 26 8.511 25.622 14.526 206 HD12 ILE 26 HD12 ILE 26 8.420 27.400 14.396 207 HD13 ILE 26 HD13 ILE 26 7.268 26.489 15.418 208 H LYS 27 H LYS 27 2.846 26.910 12.850 209 HA LYS 27 HA LYS 27 2.967 24.056 12.886 210 HB2 LYS 27 HB2 LYS 27 1.729 25.592 14.536 211 HB3 LYS 27 HB3 LYS 27 0.498 25.783 13.271 212 HG2 LYS 27 HG2 LYS 27 -0.326 24.080 14.701 213 HG3 LYS 27 HG3 LYS 27 0.288 23.216 13.291 214 HD2 LYS 27 HD2 LYS 27 2.506 22.971 14.664 215 HD3 LYS 27 HD3 LYS 27 1.555 23.501 16.049 216 HE2 LYS 27 HE2 LYS 27 0.654 21.472 16.322 217 HE3 LYS 27 HE3 LYS 27 0.068 21.453 14.648 218 HZ1 LYS 27 HZ1 LYS 27 1.599 19.650 15.067 219 HZ2 LYS 27 HZ2 LYS 27 2.252 20.695 13.951 220 HZ3 LYS 27 HZ3 LYS 27 2.780 20.686 15.527 221 H GLU 28 H GLU 28 1.452 26.358 10.626 222 HA GLU 28 HA GLU 28 0.040 24.394 9.057 223 HB2 GLU 28 HB2 GLU 28 1.001 27.229 8.599 224 HB3 GLU 28 HB3 GLU 28 0.516 26.274 7.240 225 HG2 GLU 28 HG2 GLU 28 -1.439 26.171 9.478 226 HG3 GLU 28 HG3 GLU 28 -1.251 27.729 8.689 227 H HIS 29 H HIS 29 3.434 25.416 9.151 228 HA HIS 29 HA HIS 29 4.109 24.106 6.651 229 HB2 HIS 29 HB2 HIS 29 5.403 26.035 7.541 230 HB3 HIS 29 HB3 HIS 29 5.919 25.045 8.902 231 HD2 HIS 29 HD2 HIS 29 8.349 24.349 8.527 232 HE1 HIS 29 HE1 HIS 29 8.038 22.810 4.591 233 HE2 HIS 29 HE2 HIS 29 9.566 23.049 6.607 234 H VAL 30 H VAL 30 3.459 22.873 9.791 235 HA VAL 30 HA VAL 30 4.866 20.343 9.164 236 HB VAL 30 HB VAL 30 3.816 21.124 11.864 237 HG11 VAL 30 HG11 VAL 30 5.360 19.330 12.637 238 HG12 VAL 30 HG12 VAL 30 4.166 18.673 11.505 239 HG13 VAL 30 HG13 VAL 30 5.821 18.996 10.962 240 HG21 VAL 30 HG21 VAL 30 6.211 21.552 12.482 241 HG22 VAL 30 HG22 VAL 30 6.660 21.400 10.766 242 HG23 VAL 30 HG23 VAL 30 5.609 22.707 11.303 243 H ARG 31 H ARG 31 1.733 21.779 9.745 244 HA ARG 31 HA ARG 31 0.274 19.299 10.123 245 HB2 ARG 31 HB2 ARG 31 -0.394 21.596 10.983 246 HB3 ARG 31 HB3 ARG 31 -0.671 22.111 9.335 247 HG2 ARG 31 HG2 ARG 31 -2.233 19.810 9.492 248 HG3 ARG 31 HG3 ARG 31 -2.301 20.433 11.146 249 HD2 ARG 31 HD2 ARG 31 -2.833 22.735 9.955 250 HD3 ARG 31 HD3 ARG 31 -3.263 21.724 8.578 251 HE ARG 31 HE ARG 31 -4.753 22.162 10.989 252 HH11 ARG 31 HH11 ARG 31 -4.283 19.686 8.556 253 HH12 ARG 31 HH12 ARG 31 -5.773 18.878 8.936 254 HH21 ARG 31 HH21 ARG 31 -6.654 21.111 11.442 255 HH22 ARG 31 HH22 ARG 31 -7.102 19.690 10.561 256 H SER 32 H SER 32 0.508 17.961 8.472 257 HA SER 32 HA SER 32 0.432 16.939 6.507 258 HB2 SER 32 HB2 SER 32 -1.958 18.128 6.716 259 HB3 SER 32 HB3 SER 32 -1.405 18.910 5.220 260 HG SER 32 HG SER 32 -2.504 16.887 4.889 261 H LYS 33 H LYS 33 2.156 19.613 6.792 262 HA LYS 33 HA LYS 33 2.849 19.969 3.925 263 HB2 LYS 33 HB2 LYS 33 2.675 21.740 6.284 264 HB3 LYS 33 HB3 LYS 33 4.062 22.030 5.247 265 HG2 LYS 33 HG2 LYS 33 1.221 21.951 4.172 266 HG3 LYS 33 HG3 LYS 33 2.023 23.427 4.730 267 HD2 LYS 33 HD2 LYS 33 3.052 21.657 2.470 268 HD3 LYS 33 HD3 LYS 33 2.135 23.144 2.256 269 HE2 LYS 33 HE2 LYS 33 3.920 24.483 2.606 270 HE3 LYS 33 HE3 LYS 33 4.446 23.581 4.034 271 HZ1 LYS 33 HZ1 LYS 33 6.057 23.472 2.261 272 HZ2 LYS 33 HZ2 LYS 33 5.482 21.964 2.600 273 HZ3 LYS 33 HZ3 LYS 33 4.983 22.753 1.248 274 H THR 34 H THR 34 4.391 19.332 7.067 275 HA THR 34 HA THR 34 7.023 18.976 5.807 276 HB THR 34 HB THR 34 5.991 18.438 8.608 277 HG1 THR 34 HG1 THR 34 7.504 20.092 9.049 278 HG21 THR 34 HG21 THR 34 8.372 18.042 9.253 279 HG22 THR 34 HG22 THR 34 7.722 16.749 8.238 280 HG23 THR 34 HG23 THR 34 8.809 17.970 7.531 281 H LYS 35 H LYS 35 4.200 17.013 6.630 282 HA LYS 35 HA LYS 35 5.466 14.414 6.216 283 HB2 LYS 35 HB2 LYS 35 2.590 15.453 6.406 284 HB3 LYS 35 HB3 LYS 35 2.893 13.883 5.705 285 HG2 LYS 35 HG2 LYS 35 2.452 13.347 7.872 286 HG3 LYS 35 HG3 LYS 35 4.197 13.237 7.774 287 HD2 LYS 35 HD2 LYS 35 3.242 15.923 8.639 288 HD3 LYS 35 HD3 LYS 35 2.666 14.625 9.676 289 HE2 LYS 35 HE2 LYS 35 5.593 15.092 8.961 290 HE3 LYS 35 HE3 LYS 35 4.791 15.643 10.454 291 HZ1 LYS 35 HZ1 LYS 35 5.926 13.555 10.814 292 HZ2 LYS 35 HZ2 LYS 35 4.307 13.326 10.974 293 HZ3 LYS 35 HZ3 LYS 35 5.094 12.817 9.614 294 H VAL 36 H VAL 36 3.444 16.548 4.055 295 HA VAL 36 HA VAL 36 3.965 14.672 1.876 296 HB VAL 36 HB VAL 36 1.764 15.954 2.353 297 HG11 VAL 36 HG11 VAL 36 1.395 18.064 1.308 298 HG12 VAL 36 HG12 VAL 36 2.794 18.273 2.373 299 HG13 VAL 36 HG13 VAL 36 3.035 18.113 0.635 300 HG21 VAL 36 HG21 VAL 36 1.193 15.968 -0.043 301 HG22 VAL 36 HG22 VAL 36 2.902 15.835 -0.458 302 HG23 VAL 36 HG23 VAL 36 2.103 14.517 0.414 303 HA PRO 37 HA PRO 37 7.590 17.060 0.548 304 HB2 PRO 37 HB3 PRO 37 7.857 16.128 -2.021 305 HB3 PRO 37 HB2 PRO 37 8.351 15.203 -0.577 306 HG2 PRO 37 HG3 PRO 37 5.768 14.972 -2.138 307 HG3 PRO 37 HG2 PRO 37 6.844 13.652 -1.576 308 HD2 PRO 37 HD3 PRO 37 4.620 14.350 -0.201 309 HD3 PRO 37 HD2 PRO 37 6.115 13.892 0.661 310 H VAL 38 H VAL 38 4.505 16.967 -1.168 311 HA VAL 38 HA VAL 38 4.449 19.809 -1.620 312 HB VAL 38 HB VAL 38 5.890 19.136 -3.487 313 HG11 VAL 38 HG11 VAL 38 5.436 17.527 -5.106 314 HG12 VAL 38 HG12 VAL 38 4.959 16.710 -3.645 315 HG13 VAL 38 HG13 VAL 38 3.724 17.418 -4.676 316 HG21 VAL 38 HG21 VAL 38 4.586 20.128 -5.293 317 HG22 VAL 38 HG22 VAL 38 3.075 19.822 -4.421 318 HG23 VAL 38 HG23 VAL 38 4.264 20.959 -3.784 319 H GLN 39 H GLN 39 2.377 20.402 -1.456 320 HA GLN 39 HA GLN 39 0.276 18.335 -1.420 321 HB2 GLN 39 HB2 GLN 39 0.580 20.137 0.406 322 HB3 GLN 39 HB3 GLN 39 -0.022 21.292 -0.773 323 HG2 GLN 39 HG2 GLN 39 -1.797 18.966 -0.689 324 HG3 GLN 39 HG3 GLN 39 -1.486 19.486 0.947 325 HE21 GLN 39 HE21 GLN 39 -3.976 19.542 -0.648 326 HE22 GLN 39 HE22 GLN 39 -4.496 21.201 -0.588 327 H ASP 40 H ASP 40 1.061 21.356 -3.134 328 HA ASP 40 HA ASP 40 -0.043 20.459 -5.602 329 HB2 ASP 40 HB2 ASP 40 -1.851 21.986 -3.881 330 HB3 ASP 40 HB3 ASP 40 -1.418 22.967 -5.265 331 H GLN 41 H GLN 41 0.862 23.291 -3.628 332 HA GLN 41 HA GLN 41 2.708 24.283 -5.722 333 HB2 GLN 41 HB2 GLN 41 0.159 25.095 -5.694 334 HB3 GLN 41 HB3 GLN 41 0.690 26.146 -4.415 335 HG2 GLN 41 HG2 GLN 41 1.747 27.559 -5.859 336 HG3 GLN 41 HG3 GLN 41 2.476 26.250 -6.781 337 HE21 GLN 41 HE21 GLN 41 0.523 28.822 -7.277 338 HE22 GLN 41 HE22 GLN 41 -0.530 28.136 -8.496 339 H VAL 42 H VAL 42 4.583 24.116 -4.561 340 HA VAL 42 HA VAL 42 4.670 25.303 -1.808 341 HB VAL 42 HB VAL 42 6.526 23.821 -1.335 342 HG11 VAL 42 HG11 VAL 42 5.287 21.742 -0.980 343 HG12 VAL 42 HG12 VAL 42 4.325 23.192 -0.576 344 HG13 VAL 42 HG13 VAL 42 4.014 22.323 -2.083 345 HG21 VAL 42 HG21 VAL 42 7.051 21.784 -2.637 346 HG22 VAL 42 HG22 VAL 42 6.001 22.356 -3.939 347 HG23 VAL 42 HG23 VAL 42 7.453 23.256 -3.521 348 H LEU 43 H LEU 43 6.308 26.647 -1.302 349 HA LEU 43 HA LEU 43 7.862 27.807 -3.546 350 HB2 LEU 43 HB2 LEU 43 6.119 29.029 -2.049 351 HB3 LEU 43 HB3 LEU 43 7.335 29.018 -0.796 352 HG LEU 43 HG LEU 43 7.766 30.220 -3.567 353 HD11 LEU 43 HD11 LEU 43 7.121 32.387 -2.692 354 HD12 LEU 43 HD12 LEU 43 5.788 31.274 -2.457 355 HD13 LEU 43 HD13 LEU 43 6.813 31.709 -1.074 356 HD21 LEU 43 HD21 LEU 43 9.498 31.562 -2.618 357 HD22 LEU 43 HD22 LEU 43 9.098 31.088 -0.957 358 HD23 LEU 43 HD23 LEU 43 9.842 29.952 -2.079 359 H LEU 44 H LEU 44 10.065 28.024 -3.425 360 HA LEU 44 HA LEU 44 11.504 26.946 -1.057 361 HB2 LEU 44 HB2 LEU 44 11.985 26.164 -3.997 362 HB3 LEU 44 HB3 LEU 44 13.196 26.044 -2.751 363 HG LEU 44 HG LEU 44 11.432 24.600 -1.463 364 HD11 LEU 44 HD11 LEU 44 10.085 23.166 -2.971 365 HD12 LEU 44 HD12 LEU 44 9.551 24.844 -3.073 366 HD13 LEU 44 HD13 LEU 44 10.557 24.169 -4.361 367 HD21 LEU 44 HD21 LEU 44 12.397 22.584 -2.466 368 HD22 LEU 44 HD22 LEU 44 12.973 23.522 -3.858 369 HD23 LEU 44 HD23 LEU 44 13.636 23.827 -2.239 370 H LEU 45 H LEU 45 13.409 28.085 -0.627 371 HA LEU 45 HA LEU 45 14.497 29.961 -2.613 372 HB2 LEU 45 HB2 LEU 45 12.534 31.177 -1.511 373 HB3 LEU 45 HB3 LEU 45 13.363 31.033 0.026 374 HG LEU 45 HG LEU 45 15.313 32.338 -0.979 375 HD11 LEU 45 HD11 LEU 45 14.700 33.676 -3.064 376 HD12 LEU 45 HD12 LEU 45 15.064 31.973 -3.345 377 HD13 LEU 45 HD13 LEU 45 13.381 32.511 -3.314 378 HD21 LEU 45 HD21 LEU 45 13.957 34.506 -0.994 379 HD22 LEU 45 HD22 LEU 45 12.526 33.461 -0.795 380 HD23 LEU 45 HD23 LEU 45 13.793 33.484 0.436 381 H GLY 46 H GLY 46 16.591 29.460 -2.447 382 HA2 GLY 46 HA2 GLY 46 18.726 29.360 -1.577 383 HA3 GLY 46 HA3 GLY 46 18.108 29.997 -0.050 384 H SER 47 H SER 47 17.555 27.027 -1.965 385 HA SER 47 HA SER 47 17.496 24.852 -1.513 386 HB2 SER 47 HB2 SER 47 19.470 25.198 0.718 387 HB3 SER 47 HB3 SER 47 19.266 23.831 -0.396 388 HG SER 47 HG SER 47 21.072 25.287 -0.843 389 H LYS 48 H LYS 48 15.868 26.769 0.362 390 HA LYS 48 HA LYS 48 15.077 24.693 2.376 391 HB2 LYS 48 HB2 LYS 48 14.936 26.328 3.995 392 HB3 LYS 48 HB3 LYS 48 16.222 27.001 3.022 393 HG2 LYS 48 HG2 LYS 48 15.021 28.917 3.148 394 HG3 LYS 48 HG3 LYS 48 14.091 28.223 1.820 395 HD2 LYS 48 HD2 LYS 48 12.255 28.395 3.030 396 HD3 LYS 48 HD3 LYS 48 12.867 27.164 4.135 397 HE2 LYS 48 HE2 LYS 48 13.234 30.173 4.381 398 HE3 LYS 48 HE3 LYS 48 12.134 29.158 5.332 399 HZ1 LYS 48 HZ1 LYS 48 14.163 29.586 6.546 400 HZ2 LYS 48 HZ2 LYS 48 14.079 27.979 6.185 401 HZ3 LYS 48 HZ3 LYS 48 15.089 28.974 5.335 402 H ILE 49 H ILE 49 12.737 24.994 3.079 403 HA ILE 49 HA ILE 49 10.975 25.516 0.723 404 HB ILE 49 HB ILE 49 11.127 23.191 1.520 405 HG12 ILE 49 HG12 ILE 49 8.507 23.020 2.184 406 HG13 ILE 49 HG13 ILE 49 8.504 24.661 1.551 407 HG21 ILE 49 HG21 ILE 49 10.247 22.419 3.627 408 HG22 ILE 49 HG22 ILE 49 11.597 23.513 3.906 409 HG23 ILE 49 HG23 ILE 49 9.940 24.090 4.143 410 HD11 ILE 49 HD11 ILE 49 7.992 22.830 -0.107 411 HD12 ILE 49 HD12 ILE 49 9.344 23.879 -0.596 412 HD13 ILE 49 HD13 ILE 49 9.646 22.250 0.059 413 H LEU 50 H LEU 50 9.702 27.240 0.840 414 HA LEU 50 HA LEU 50 9.306 28.688 3.407 415 HB2 LEU 50 HB2 LEU 50 9.484 29.449 0.613 416 HB3 LEU 50 HB3 LEU 50 7.855 29.810 1.141 417 HG LEU 50 HG LEU 50 9.223 31.763 1.325 418 HD11 LEU 50 HD11 LEU 50 8.728 32.422 3.591 419 HD12 LEU 50 HD12 LEU 50 7.402 31.450 2.949 420 HD13 LEU 50 HD13 LEU 50 8.553 30.730 4.112 421 HD21 LEU 50 HD21 LEU 50 11.112 31.958 2.802 422 HD22 LEU 50 HD22 LEU 50 10.925 30.274 3.352 423 HD23 LEU 50 HD23 LEU 50 11.402 30.623 1.671 424 H LYS 51 H LYS 51 7.221 29.179 4.118 425 HA LYS 51 HA LYS 51 4.995 27.478 3.106 426 HB2 LYS 51 HB2 LYS 51 5.627 26.814 5.346 427 HB3 LYS 51 HB3 LYS 51 5.443 28.465 5.944 428 HG2 LYS 51 HG2 LYS 51 3.478 27.124 6.533 429 HG3 LYS 51 HG3 LYS 51 3.015 28.401 5.426 430 HD2 LYS 51 HD2 LYS 51 3.096 26.741 3.528 431 HD3 LYS 51 HD3 LYS 51 3.458 25.473 4.725 432 HE2 LYS 51 HE2 LYS 51 1.316 25.559 5.636 433 HE3 LYS 51 HE3 LYS 51 1.047 27.242 5.119 434 HZ1 LYS 51 HZ1 LYS 51 -0.251 25.717 3.842 435 HZ2 LYS 51 HZ2 LYS 51 0.842 26.452 2.863 436 HZ3 LYS 51 HZ3 LYS 51 1.070 24.879 3.352 437 HA PRO 52 HA PRO 52 3.627 31.794 2.186 438 HB2 PRO 52 HB3 PRO 52 2.466 31.213 -0.237 439 HB3 PRO 52 HB2 PRO 52 4.219 31.407 -0.043 440 HG2 PRO 52 HG3 PRO 52 2.607 28.834 -0.079 441 HG3 PRO 52 HG2 PRO 52 4.044 29.253 -1.062 442 HD2 PRO 52 HD3 PRO 52 4.245 27.835 1.237 443 HD3 PRO 52 HD2 PRO 52 5.486 29.037 0.787 444 H ARG 53 H ARG 53 1.152 31.984 1.065 445 HA ARG 53 HA ARG 53 -1.017 32.242 1.410 446 HB2 ARG 53 HB2 ARG 53 -0.620 29.573 0.871 447 HB3 ARG 53 HB3 ARG 53 -1.238 29.403 2.479 448 HG2 ARG 53 HG2 ARG 53 -3.164 29.289 1.134 449 HG3 ARG 53 HG3 ARG 53 -3.169 30.973 1.651 450 HD2 ARG 53 HD2 ARG 53 -1.618 31.161 -0.614 451 HD3 ARG 53 HD3 ARG 53 -2.619 29.759 -1.037 452 HE ARG 53 HE ARG 53 -4.233 31.928 -0.041 453 HH11 ARG 53 HH11 ARG 53 -2.496 30.929 -2.976 454 HH12 ARG 53 HH12 ARG 53 -3.331 31.976 -4.004 455 HH21 ARG 53 HH21 ARG 53 -5.345 33.314 -1.420 456 HH22 ARG 53 HH22 ARG 53 -4.972 33.298 -3.125 457 H ARG 54 H ARG 54 0.753 32.858 3.677 458 HA ARG 54 HA ARG 54 -1.260 33.091 5.779 459 HB2 ARG 54 HB2 ARG 54 0.141 30.788 5.892 460 HB3 ARG 54 HB3 ARG 54 1.370 31.824 6.567 461 HG2 ARG 54 HG2 ARG 54 0.368 31.634 8.587 462 HG3 ARG 54 HG3 ARG 54 -1.058 32.480 7.978 463 HD2 ARG 54 HD2 ARG 54 -0.538 29.496 7.614 464 HD3 ARG 54 HD3 ARG 54 -1.440 30.150 8.972 465 HE ARG 54 HE ARG 54 -2.344 29.831 6.219 466 HH11 ARG 54 HH11 ARG 54 -2.986 31.544 9.211 467 HH12 ARG 54 HH12 ARG 54 -4.658 31.814 8.853 468 HH21 ARG 54 HH21 ARG 54 -4.494 30.216 5.768 469 HH22 ARG 54 HH22 ARG 54 -5.501 31.059 6.905 470 H SER 55 H SER 55 2.124 33.544 5.121 471 HA SER 55 HA SER 55 3.895 34.747 5.753 472 HB2 SER 55 HB2 SER 55 1.855 36.377 4.495 473 HB3 SER 55 HB3 SER 55 2.415 37.316 5.821 474 HG SER 55 HG SER 55 3.593 37.511 3.850 475 H LEU 56 H LEU 56 4.408 36.788 7.233 476 HA LEU 56 HA LEU 56 3.211 36.390 9.925 477 HB2 LEU 56 HB2 LEU 56 5.756 36.808 10.648 478 HB3 LEU 56 HB3 LEU 56 4.947 35.265 10.548 479 HG LEU 56 HG LEU 56 5.937 34.898 8.271 480 HD11 LEU 56 HD11 LEU 56 7.909 36.233 7.622 481 HD12 LEU 56 HD12 LEU 56 6.447 37.205 7.592 482 HD13 LEU 56 HD13 LEU 56 7.585 37.376 8.950 483 HD21 LEU 56 HD21 LEU 56 8.160 34.321 9.141 484 HD22 LEU 56 HD22 LEU 56 7.902 35.392 10.541 485 HD23 LEU 56 HD23 LEU 56 6.900 33.947 10.336 486 H SER 57 H SER 57 5.113 38.552 7.941 487 HA SER 57 HA SER 57 5.601 40.745 7.997 488 HB2 SER 57 HB2 SER 57 3.194 40.546 7.231 489 HB3 SER 57 HB3 SER 57 2.683 41.032 8.841 490 HG SER 57 HG SER 57 2.814 42.838 7.547 491 H SER 58 H SER 58 6.137 39.357 10.535 492 HA SER 58 HA SER 58 5.389 40.960 12.763 493 HB2 SER 58 HB2 SER 58 6.752 39.519 14.074 494 HB3 SER 58 HB3 SER 58 5.900 38.530 12.866 495 HG SER 58 HG SER 58 8.305 38.291 13.232 496 H TYR 59 H TYR 59 7.903 41.352 10.460 497 HA TYR 59 HA TYR 59 9.777 42.799 12.125 498 HB2 TYR 59 HB2 TYR 59 10.095 41.572 9.835 499 HB3 TYR 59 HB3 TYR 59 9.436 43.021 9.092 500 HD1 TYR 59 HD1 TYR 59 10.674 45.313 9.726 501 HD2 TYR 59 HD2 TYR 59 12.383 41.386 10.242 502 HE1 TYR 59 HE1 TYR 59 12.939 46.301 9.751 503 HE2 TYR 59 HE2 TYR 59 14.649 42.385 10.257 504 HH TYR 59 HH TYR 59 15.886 44.318 10.164 505 H GLY 60 H GLY 60 6.854 43.675 10.255 506 HA2 GLY 60 HA2 GLY 60 5.609 45.578 10.234 507 HA3 GLY 60 HA3 GLY 60 6.582 46.204 11.563 508 H ILE 61 H ILE 61 7.059 45.444 8.090 509 HA ILE 61 HA ILE 61 8.766 47.832 7.771 510 HB ILE 61 HB ILE 61 9.086 46.897 5.460 511 HG12 ILE 61 HG12 ILE 61 8.330 44.113 6.053 512 HG13 ILE 61 HG13 ILE 61 6.919 45.138 6.001 513 HG21 ILE 61 HG21 ILE 61 10.682 45.194 6.083 514 HG22 ILE 61 HG22 ILE 61 10.688 46.498 7.283 515 HG23 ILE 61 HG23 ILE 61 9.871 44.969 7.637 516 HD11 ILE 61 HD11 ILE 61 7.316 44.301 3.784 517 HD12 ILE 61 HD12 ILE 61 7.652 46.049 3.807 518 HD13 ILE 61 HD13 ILE 61 9.001 44.883 3.824 519 H ASP 62 H ASP 62 8.109 49.593 6.816 520 HA ASP 62 HA ASP 62 5.557 49.763 5.293 521 HB2 ASP 62 HB2 ASP 62 6.788 51.897 7.085 522 HB3 ASP 62 HB3 ASP 62 5.312 52.029 6.154 523 H LYS 63 H LYS 63 7.089 49.126 3.589 524 HA LYS 63 HA LYS 63 7.803 51.514 2.009 525 HB2 LYS 63 HB2 LYS 63 9.843 49.386 2.863 526 HB3 LYS 63 HB3 LYS 63 9.920 50.034 1.250 527 HG2 LYS 63 HG2 LYS 63 11.115 51.720 1.932 528 HG3 LYS 63 HG3 LYS 63 9.730 52.362 2.806 529 HD2 LYS 63 HD2 LYS 63 10.452 51.390 4.875 530 HD3 LYS 63 HD3 LYS 63 11.586 50.294 4.048 531 HE2 LYS 63 HE2 LYS 63 12.849 52.301 3.216 532 HE3 LYS 63 HE3 LYS 63 11.819 53.322 4.221 533 HZ1 LYS 63 HZ1 LYS 63 13.911 52.717 5.297 534 HZ2 LYS 63 HZ2 LYS 63 12.623 52.161 6.156 535 HZ3 LYS 63 HZ3 LYS 63 13.523 51.130 5.238 536 H GLU 64 H GLU 64 7.266 51.229 -0.039 537 HA GLU 64 HA GLU 64 6.044 48.763 -0.944 538 HB2 GLU 64 HB2 GLU 64 5.622 50.078 -3.021 539 HB3 GLU 64 HB3 GLU 64 4.902 50.725 -1.575 540 HG2 GLU 64 HG2 GLU 64 7.565 51.911 -2.242 541 HG3 GLU 64 HG3 GLU 64 6.305 52.167 -3.444 542 H LYS 65 H LYS 65 7.726 47.330 -0.940 543 HA LYS 65 HA LYS 65 9.614 47.495 -3.242 544 HB2 LYS 65 HB2 LYS 65 11.265 46.262 -1.869 545 HB3 LYS 65 HB3 LYS 65 10.986 47.903 -1.321 546 HG2 LYS 65 HG2 LYS 65 10.061 47.255 0.698 547 HG3 LYS 65 HG3 LYS 65 9.408 45.750 0.062 548 HD2 LYS 65 HD2 LYS 65 11.815 44.902 -0.134 549 HD3 LYS 65 HD3 LYS 65 12.283 46.288 0.858 550 HE2 LYS 65 HE2 LYS 65 9.927 44.861 1.934 551 HE3 LYS 65 HE3 LYS 65 11.265 43.742 1.661 552 HZ1 LYS 65 HZ1 LYS 65 11.337 44.699 3.874 553 HZ2 LYS 65 HZ2 LYS 65 12.668 45.156 3.023 554 HZ3 LYS 65 HZ3 LYS 65 11.426 46.222 3.263 555 H THR 66 H THR 66 9.366 45.910 -4.626 556 HA THR 66 HA THR 66 7.709 43.563 -3.937 557 HB THR 66 HB THR 66 7.878 42.985 -6.283 558 HG1 THR 66 HG1 THR 66 9.091 44.263 -7.719 559 HG21 THR 66 HG21 THR 66 6.719 44.828 -7.285 560 HG22 THR 66 HG22 THR 66 6.315 44.851 -5.563 561 HG23 THR 66 HG23 THR 66 7.489 46.002 -6.215 562 H ILE 67 H ILE 67 8.547 41.393 -4.449 563 HA ILE 67 HA ILE 67 11.498 41.087 -4.082 564 HB ILE 67 HB ILE 67 9.819 39.097 -2.648 565 HG12 ILE 67 HG12 ILE 67 10.121 41.877 -1.425 566 HG13 ILE 67 HG13 ILE 67 8.608 41.107 -1.892 567 HG21 ILE 67 HG21 ILE 67 11.690 39.068 -1.116 568 HG22 ILE 67 HG22 ILE 67 12.279 39.029 -2.769 569 HG23 ILE 67 HG23 ILE 67 12.348 40.553 -1.851 570 HD11 ILE 67 HD11 ILE 67 8.740 40.876 0.454 571 HD12 ILE 67 HD12 ILE 67 9.118 39.275 -0.181 572 HD13 ILE 67 HD13 ILE 67 10.425 40.329 0.413 573 H HIS 68 H HIS 68 12.252 39.066 -4.805 574 HA HIS 68 HA HIS 68 10.518 37.548 -6.711 575 HB2 HIS 68 HB2 HIS 68 11.781 38.773 -8.226 576 HB3 HIS 68 HB3 HIS 68 13.123 39.037 -7.124 577 HD2 HIS 68 HD2 HIS 68 11.679 36.134 -9.298 578 HE1 HIS 68 HE1 HIS 68 15.858 35.437 -8.707 579 HE2 HIS 68 HE2 HIS 68 13.747 34.591 -9.855 580 H LEU 69 H LEU 69 10.467 35.552 -6.207 581 HA LEU 69 HA LEU 69 12.658 34.157 -4.747 582 HB2 LEU 69 HB2 LEU 69 9.793 33.550 -3.995 583 HB3 LEU 69 HB3 LEU 69 11.251 33.379 -3.078 584 HG LEU 69 HG LEU 69 11.028 36.151 -3.160 585 HD11 LEU 69 HD11 LEU 69 8.665 36.638 -2.589 586 HD12 LEU 69 HD12 LEU 69 8.850 36.101 -4.245 587 HD13 LEU 69 HD13 LEU 69 8.209 34.980 -3.032 588 HD21 LEU 69 HD21 LEU 69 9.888 35.909 -0.876 589 HD22 LEU 69 HD22 LEU 69 10.078 34.156 -1.107 590 HD23 LEU 69 HD23 LEU 69 11.486 35.269 -1.102 591 H THR 70 H THR 70 12.247 31.685 -4.954 592 HA THR 70 HA THR 70 11.073 31.048 -7.614 593 HB THR 70 HB THR 70 12.386 28.807 -7.074 594 HG1 THR 70 HG1 THR 70 14.254 29.150 -5.922 595 HG21 THR 70 HG21 THR 70 14.505 29.816 -8.050 596 HG22 THR 70 HG22 THR 70 13.034 30.077 -8.972 597 HG23 THR 70 HG23 THR 70 13.703 31.390 -7.954 598 H LEU 71 H LEU 71 9.676 29.217 -7.853 599 HA LEU 71 HA LEU 71 8.602 27.928 -5.437 600 HB2 LEU 71 HB2 LEU 71 7.267 30.060 -6.016 601 HB3 LEU 71 HB3 LEU 71 6.748 29.271 -7.489 602 HG LEU 71 HG LEU 71 6.324 27.936 -4.836 603 HD11 LEU 71 HD11 LEU 71 4.154 28.996 -4.481 604 HD12 LEU 71 HD12 LEU 71 5.526 30.118 -4.329 605 HD13 LEU 71 HD13 LEU 71 4.522 30.129 -5.773 606 HD21 LEU 71 HD21 LEU 71 4.368 26.950 -5.695 607 HD22 LEU 71 HD22 LEU 71 4.428 27.930 -7.169 608 HD23 LEU 71 HD23 LEU 71 5.621 26.692 -6.891 609 H LYS 72 H LYS 72 7.671 25.880 -5.913 610 HA LYS 72 HA LYS 72 7.744 24.966 -8.753 611 HB2 LYS 72 HB2 LYS 72 9.842 24.255 -7.230 612 HB3 LYS 72 HB3 LYS 72 8.713 23.114 -6.532 613 HG2 LYS 72 HG2 LYS 72 9.290 21.745 -8.270 614 HG3 LYS 72 HG3 LYS 72 8.261 22.772 -9.269 615 HD2 LYS 72 HD2 LYS 72 10.331 24.282 -9.575 616 HD3 LYS 72 HD3 LYS 72 11.283 22.949 -8.884 617 HE2 LYS 72 HE2 LYS 72 9.384 22.492 -11.215 618 HE3 LYS 72 HE3 LYS 72 10.977 23.208 -11.499 619 HZ1 LYS 72 HZ1 LYS 72 11.023 20.819 -11.764 620 HZ2 LYS 72 HZ2 LYS 72 11.989 21.279 -10.507 621 HZ3 LYS 72 HZ3 LYS 72 10.514 20.587 -10.210 622 H VAL 73 H VAL 73 5.802 24.159 -9.236 623 HA VAL 73 HA VAL 73 4.007 23.077 -7.123 624 HB VAL 73 HB VAL 73 2.461 24.343 -7.970 625 HG11 VAL 73 HG11 VAL 73 2.626 25.884 -9.871 626 HG12 VAL 73 HG12 VAL 73 4.030 26.004 -8.821 627 HG13 VAL 73 HG13 VAL 73 4.146 25.136 -10.375 628 HG21 VAL 73 HG21 VAL 73 1.296 23.922 -10.031 629 HG22 VAL 73 HG22 VAL 73 2.667 22.996 -10.682 630 HG23 VAL 73 HG23 VAL 73 1.735 22.403 -9.275 631 H VAL 74 H VAL 74 3.362 21.088 -7.183 632 HA VAL 74 HA VAL 74 3.668 19.256 -9.432 633 HB VAL 74 HB VAL 74 5.134 18.697 -6.837 634 HG11 VAL 74 HG11 VAL 74 6.113 16.746 -8.086 635 HG12 VAL 74 HG12 VAL 74 4.396 16.605 -7.789 636 HG13 VAL 74 HG13 VAL 74 4.972 17.085 -9.402 637 HG21 VAL 74 HG21 VAL 74 7.257 18.730 -8.085 638 HG22 VAL 74 HG22 VAL 74 6.378 19.377 -9.506 639 HG23 VAL 74 HG23 VAL 74 6.495 20.316 -7.994 640 H LYS 75 H LYS 75 2.479 17.297 -9.023 641 HA LYS 75 HA LYS 75 0.797 16.004 -8.372 642 HB2 LYS 75 HB2 LYS 75 1.961 16.805 -5.773 643 HB3 LYS 75 HB3 LYS 75 0.307 16.276 -5.656 644 HG2 LYS 75 HG2 LYS 75 2.389 14.669 -7.172 645 HG3 LYS 75 HG3 LYS 75 2.142 14.467 -5.437 646 HD2 LYS 75 HD2 LYS 75 -0.016 13.606 -5.665 647 HD3 LYS 75 HD3 LYS 75 -0.279 14.328 -7.238 648 HE2 LYS 75 HE2 LYS 75 1.994 12.497 -7.349 649 HE3 LYS 75 HE3 LYS 75 0.582 11.674 -6.650 650 HZ1 LYS 75 HZ1 LYS 75 0.622 11.525 -9.073 651 HZ2 LYS 75 HZ2 LYS 75 -0.700 12.382 -8.572 652 HZ3 LYS 75 HZ3 LYS 75 0.586 13.176 -9.205 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 1.459 44.675 0.751 2 H2 LEU 1 H2 LEU 1 2.627 43.749 1.405 3 H3 LEU 1 H3 LEU 1 2.727 45.400 1.534 4 HA LEU 1 HA LEU 1 2.960 45.636 -0.841 5 HB2 LEU 1 HB2 LEU 1 5.066 43.620 0.019 6 HB3 LEU 1 HB3 LEU 1 5.221 45.001 -1.028 7 HG LEU 1 HG LEU 1 4.843 45.086 1.989 8 HD11 LEU 1 HD11 LEU 1 7.198 45.891 1.966 9 HD12 LEU 1 HD12 LEU 1 7.026 44.220 1.360 10 HD13 LEU 1 HD13 LEU 1 7.239 45.566 0.216 11 HD21 LEU 1 HD21 LEU 1 5.375 47.498 1.763 12 HD22 LEU 1 HD22 LEU 1 5.342 47.321 0.003 13 HD23 LEU 1 HD23 LEU 1 3.859 47.106 0.953 14 H CYS 2 H CYS 2 4.396 43.673 -2.433 15 HA CYS 2 HA CYS 2 2.662 41.278 -2.577 16 HB2 CYS 2 HB2 CYS 2 2.600 41.518 -5.059 17 HB3 CYS 2 HB3 CYS 2 1.667 42.763 -4.218 18 HG CYS 2 HG CYS 2 2.754 43.835 -6.311 19 H VAL 3 H VAL 3 3.672 39.527 -3.487 20 HA VAL 3 HA VAL 3 6.652 39.605 -3.754 21 HB VAL 3 HB VAL 3 5.917 37.012 -2.903 22 HG11 VAL 3 HG11 VAL 3 7.242 37.478 -0.921 23 HG12 VAL 3 HG12 VAL 3 7.988 38.205 -2.351 24 HG13 VAL 3 HG13 VAL 3 7.073 39.212 -1.195 25 HG21 VAL 3 HG21 VAL 3 4.845 37.189 -0.746 26 HG22 VAL 3 HG22 VAL 3 4.650 38.929 -0.931 27 HG23 VAL 3 HG23 VAL 3 3.779 37.811 -1.993 28 H HIS 4 H HIS 4 7.420 38.335 -5.367 29 HA HIS 4 HA HIS 4 5.436 37.218 -7.284 30 HB2 HIS 4 HB2 HIS 4 8.228 38.299 -7.876 31 HB3 HIS 4 HB3 HIS 4 6.972 37.903 -9.011 32 HD2 HIS 4 HD2 HIS 4 8.550 40.805 -8.492 33 HE1 HIS 4 HE1 HIS 4 4.592 42.179 -7.712 34 HE2 HIS 4 HE2 HIS 4 6.961 42.908 -8.278 35 H VAL 5 H VAL 5 5.993 35.296 -8.255 36 HA VAL 5 HA VAL 5 8.241 33.697 -7.106 37 HB VAL 5 HB VAL 5 6.544 31.751 -7.546 38 HG11 VAL 5 HG11 VAL 5 5.752 31.911 -5.212 39 HG12 VAL 5 HG12 VAL 5 7.465 32.332 -5.383 40 HG13 VAL 5 HG13 VAL 5 6.247 33.615 -5.179 41 HG21 VAL 5 HG21 VAL 5 4.199 32.139 -7.200 42 HG22 VAL 5 HG22 VAL 5 4.441 33.881 -6.959 43 HG23 VAL 5 HG23 VAL 5 4.703 33.137 -8.557 44 H ARG 6 H ARG 6 9.187 32.306 -8.451 45 HA ARG 6 HA ARG 6 8.825 32.759 -11.375 46 HB2 ARG 6 HB2 ARG 6 11.159 32.558 -11.607 47 HB3 ARG 6 HB3 ARG 6 11.057 33.296 -10.020 48 HG2 ARG 6 HG2 ARG 6 12.443 31.666 -9.362 49 HG3 ARG 6 HG3 ARG 6 11.037 30.627 -9.350 50 HD2 ARG 6 HD2 ARG 6 11.757 30.362 -11.961 51 HD3 ARG 6 HD3 ARG 6 13.339 30.747 -11.249 52 HE ARG 6 HE ARG 6 12.018 28.721 -9.705 53 HH11 ARG 6 HH11 ARG 6 13.547 29.011 -12.846 54 HH12 ARG 6 HH12 ARG 6 13.858 27.312 -12.973 55 HH21 ARG 6 HH21 ARG 6 12.417 26.556 -9.920 56 HH22 ARG 6 HH22 ARG 6 13.236 25.943 -11.322 57 H SER 7 H SER 7 9.560 30.870 -12.656 58 HA SER 7 HA SER 7 9.443 28.721 -13.311 59 HB2 SER 7 HB2 SER 7 9.891 28.023 -10.898 60 HB3 SER 7 HB3 SER 7 8.143 27.674 -10.838 61 HG SER 7 HG SER 7 9.191 25.858 -11.517 62 H GLU 8 H GLU 8 7.239 27.009 -13.253 63 HA GLU 8 HA GLU 8 5.097 28.710 -14.393 64 HB2 GLU 8 HB2 GLU 8 5.934 26.537 -15.415 65 HB3 GLU 8 HB3 GLU 8 5.363 25.666 -13.998 66 HG2 GLU 8 HG2 GLU 8 3.058 26.147 -14.539 67 HG3 GLU 8 HG3 GLU 8 3.528 27.350 -15.742 68 H GLU 9 H GLU 9 3.328 29.303 -13.187 69 HA GLU 9 HA GLU 9 2.508 27.770 -10.810 70 HB2 GLU 9 HB2 GLU 9 2.345 29.762 -9.424 71 HB3 GLU 9 HB3 GLU 9 3.982 29.407 -9.840 72 HG2 GLU 9 HG2 GLU 9 2.468 31.497 -11.435 73 HG3 GLU 9 HG3 GLU 9 3.005 31.871 -9.811 74 H TRP 10 H TRP 10 0.492 28.534 -9.924 75 HA TRP 10 HA TRP 10 -1.477 29.233 -12.033 76 HB2 TRP 10 HB2 TRP 10 -1.813 27.747 -9.386 77 HB3 TRP 10 HB3 TRP 10 -3.039 27.955 -10.624 78 HD1 TRP 10 HD1 TRP 10 -0.518 25.553 -9.490 79 HE1 TRP 10 HE1 TRP 10 -0.181 23.664 -11.184 80 HE3 TRP 10 HE3 TRP 10 -2.923 27.630 -13.502 81 HZ2 TRP 10 HZ2 TRP 10 -0.798 23.145 -13.949 82 HZ3 TRP 10 HZ3 TRP 10 -3.046 26.409 -15.665 83 HH2 TRP 10 HH2 TRP 10 -1.983 24.173 -15.894 84 H ASP 11 H ASP 11 -0.274 30.167 -8.843 85 HA ASP 11 HA ASP 11 -2.088 32.519 -8.845 86 HB2 ASP 11 HB2 ASP 11 -3.019 30.676 -7.364 87 HB3 ASP 11 HB3 ASP 11 -1.544 30.752 -6.405 88 H LEU 12 H LEU 12 -1.231 34.258 -7.817 89 HA LEU 12 HA LEU 12 1.735 34.351 -7.514 90 HB2 LEU 12 HB2 LEU 12 1.368 36.811 -7.449 91 HB3 LEU 12 HB3 LEU 12 0.801 36.103 -8.934 92 HG LEU 12 HG LEU 12 -1.260 36.503 -6.757 93 HD11 LEU 12 HD11 LEU 12 -1.576 38.861 -7.354 94 HD12 LEU 12 HD12 LEU 12 0.011 38.585 -6.619 95 HD13 LEU 12 HD13 LEU 12 -0.113 38.816 -8.373 96 HD21 LEU 12 HD21 LEU 12 -2.688 37.122 -8.657 97 HD22 LEU 12 HD22 LEU 12 -1.299 37.037 -9.762 98 HD23 LEU 12 HD23 LEU 12 -1.908 35.570 -8.974 99 H MET 13 H MET 13 2.536 35.618 -5.660 100 HA MET 13 HA MET 13 1.159 34.798 -3.166 101 HB2 MET 13 HB2 MET 13 4.002 35.799 -3.717 102 HB3 MET 13 HB3 MET 13 3.414 35.254 -2.172 103 HG2 MET 13 HG2 MET 13 3.783 33.585 -4.670 104 HG3 MET 13 HG3 MET 13 4.731 33.545 -3.204 105 HE1 MET 13 HE1 MET 13 1.395 30.808 -4.250 106 HE2 MET 13 HE2 MET 13 1.490 32.401 -5.024 107 HE3 MET 13 HE3 MET 13 2.884 31.310 -5.073 108 H THR 14 H THR 14 1.284 36.367 -1.354 109 HA THR 14 HA THR 14 1.364 39.260 -2.114 110 HB THR 14 HB THR 14 -1.007 38.497 -2.181 111 HG1 THR 14 HG1 THR 14 -1.688 40.187 -0.883 112 HG21 THR 14 HG21 THR 14 -2.254 37.982 -0.162 113 HG22 THR 14 HG22 THR 14 -0.969 36.771 -0.351 114 HG23 THR 14 HG23 THR 14 -0.802 38.087 0.836 115 H PHE 15 H PHE 15 1.993 40.586 -0.419 116 HA PHE 15 HA PHE 15 3.668 39.151 1.553 117 HB2 PHE 15 HB2 PHE 15 4.429 41.055 -0.136 118 HB3 PHE 15 HB3 PHE 15 3.694 42.137 1.002 119 HD1 PHE 15 HD1 PHE 15 4.469 41.432 3.654 120 HD2 PHE 15 HD2 PHE 15 6.736 41.024 0.016 121 HE1 PHE 15 HE1 PHE 15 6.574 41.577 4.941 122 HE2 PHE 15 HE2 PHE 15 8.843 41.099 1.312 123 HZ PHE 15 HZ PHE 15 8.781 41.446 3.763 124 H ASP 16 H ASP 16 2.306 38.685 3.115 125 HA ASP 16 HA ASP 16 0.148 40.294 4.026 126 HB2 ASP 16 HB2 ASP 16 0.914 37.531 4.137 127 HB3 ASP 16 HB3 ASP 16 0.953 38.040 5.806 128 H ALA 17 H ALA 17 -0.133 40.707 6.425 129 HA ALA 17 HA ALA 17 2.087 42.356 7.318 130 HB1 ALA 17 HB1 ALA 17 0.394 43.037 9.073 131 HB2 ALA 17 HB2 ALA 17 -0.306 43.139 7.452 132 HB3 ALA 17 HB3 ALA 17 -0.683 41.771 8.516 133 H ASN 18 H ASN 18 2.914 42.214 9.517 134 HA ASN 18 HA ASN 18 3.592 39.492 10.265 135 HB2 ASN 18 HB2 ASN 18 4.712 42.164 10.661 136 HB3 ASN 18 HB3 ASN 18 4.458 41.457 12.241 137 HD21 ASN 18 HD21 ASN 18 5.470 40.012 9.105 138 HD22 ASN 18 HD22 ASN 18 6.988 39.416 9.788 139 HA PRO 19 HA PRO 19 0.769 40.202 14.019 140 HB2 PRO 19 HB3 PRO 19 -0.828 42.382 14.335 141 HB3 PRO 19 HB2 PRO 19 0.899 42.398 14.776 142 HG2 PRO 19 HG3 PRO 19 -0.360 43.419 12.206 143 HG3 PRO 19 HG2 PRO 19 0.808 44.254 13.287 144 HD2 PRO 19 HD3 PRO 19 1.564 42.909 11.061 145 HD3 PRO 19 HD2 PRO 19 2.600 42.961 12.504 146 H TYR 20 H TYR 20 0.023 38.597 12.571 147 HA TYR 20 HA TYR 20 -2.798 38.813 12.063 148 HB2 TYR 20 HB2 TYR 20 -1.580 39.241 9.880 149 HB3 TYR 20 HB3 TYR 20 -1.117 37.562 9.892 150 HD1 TYR 20 HD1 TYR 20 -4.028 39.912 9.987 151 HD2 TYR 20 HD2 TYR 20 -2.690 35.929 9.067 152 HE1 TYR 20 HE1 TYR 20 -6.217 39.419 8.906 153 HE2 TYR 20 HE2 TYR 20 -4.859 35.436 7.987 154 HH TYR 20 HH TYR 20 -6.891 36.246 7.430 155 H ASP 21 H ASP 21 -0.221 36.592 11.632 156 HA ASP 21 HA ASP 21 -1.042 34.672 13.487 157 HB2 ASP 21 HB2 ASP 21 -1.607 34.247 10.658 158 HB3 ASP 21 HB3 ASP 21 -0.966 32.900 11.601 159 H SER 22 H SER 22 0.988 34.589 14.634 160 HA SER 22 HA SER 22 3.395 34.248 12.850 161 HB2 SER 22 HB2 SER 22 3.332 35.900 14.754 162 HB3 SER 22 HB3 SER 22 3.283 34.510 15.867 163 HG SER 22 HG SER 22 5.425 35.280 15.399 164 H VAL 23 H VAL 23 1.616 32.474 15.446 165 HA VAL 23 HA VAL 23 3.357 30.153 15.315 166 HB VAL 23 HB VAL 23 0.672 30.577 16.664 167 HG11 VAL 23 HG11 VAL 23 1.242 28.489 17.944 168 HG12 VAL 23 HG12 VAL 23 0.898 28.181 16.253 169 HG13 VAL 23 HG13 VAL 23 2.578 28.193 16.821 170 HG21 VAL 23 HG21 VAL 23 2.064 30.603 18.729 171 HG22 VAL 23 HG22 VAL 23 3.529 30.427 17.747 172 HG23 VAL 23 HG23 VAL 23 2.536 31.904 17.628 173 H LEU 24 H LEU 24 0.277 31.089 13.759 174 HA LEU 24 HA LEU 24 -0.348 28.536 12.723 175 HB2 LEU 24 HB2 LEU 24 -1.602 30.995 12.686 176 HB3 LEU 24 HB3 LEU 24 -1.059 30.841 11.010 177 HG LEU 24 HG LEU 24 -2.140 28.425 11.194 178 HD11 LEU 24 HD11 LEU 24 -4.139 28.435 12.652 179 HD12 LEU 24 HD12 LEU 24 -2.668 28.621 13.624 180 HD13 LEU 24 HD13 LEU 24 -3.695 30.022 13.271 181 HD21 LEU 24 HD21 LEU 24 -4.270 29.369 10.365 182 HD22 LEU 24 HD22 LEU 24 -3.783 30.979 10.917 183 HD23 LEU 24 HD23 LEU 24 -2.874 30.156 9.625 184 H LYS 25 H LYS 25 2.086 30.849 11.713 185 HA LYS 25 HA LYS 25 2.330 29.893 8.986 186 HB2 LYS 25 HB2 LYS 25 3.492 32.015 10.632 187 HB3 LYS 25 HB3 LYS 25 4.783 31.139 9.842 188 HG2 LYS 25 HG2 LYS 25 4.450 32.307 8.000 189 HG3 LYS 25 HG3 LYS 25 2.900 31.509 7.779 190 HD2 LYS 25 HD2 LYS 25 2.598 33.887 7.614 191 HD3 LYS 25 HD3 LYS 25 1.815 33.318 9.097 192 HE2 LYS 25 HE2 LYS 25 3.793 34.060 10.413 193 HE3 LYS 25 HE3 LYS 25 4.608 34.579 8.931 194 HZ1 LYS 25 HZ1 LYS 25 3.500 36.411 10.108 195 HZ2 LYS 25 HZ2 LYS 25 2.779 36.208 8.638 196 HZ3 LYS 25 HZ3 LYS 25 2.062 35.644 10.015 197 H ILE 26 H ILE 26 4.235 29.340 11.957 198 HA ILE 26 HA ILE 26 5.991 27.377 10.713 199 HB ILE 26 HB ILE 26 6.854 28.595 12.569 200 HG12 ILE 26 HG12 ILE 26 6.337 25.708 13.425 201 HG13 ILE 26 HG13 ILE 26 7.581 26.260 12.299 202 HG21 ILE 26 HG21 ILE 26 5.981 28.555 14.842 203 HG22 ILE 26 HG22 ILE 26 4.765 29.169 13.766 204 HG23 ILE 26 HG23 ILE 26 4.643 27.500 14.366 205 HD11 ILE 26 HD11 ILE 26 8.610 25.855 14.421 206 HD12 ILE 26 HD12 ILE 26 8.567 27.620 14.205 207 HD13 ILE 26 HD13 ILE 26 7.402 26.811 15.289 208 H LYS 27 H LYS 27 2.939 27.237 12.598 209 HA LYS 27 HA LYS 27 2.979 24.401 12.815 210 HB2 LYS 27 HB2 LYS 27 1.727 26.071 14.301 211 HB3 LYS 27 HB3 LYS 27 0.547 26.212 12.994 212 HG2 LYS 27 HG2 LYS 27 -0.273 24.707 14.670 213 HG3 LYS 27 HG3 LYS 27 0.056 23.741 13.231 214 HD2 LYS 27 HD2 LYS 27 2.199 24.026 15.356 215 HD3 LYS 27 HD3 LYS 27 0.822 23.009 15.710 216 HE2 LYS 27 HE2 LYS 27 1.272 21.473 14.002 217 HE3 LYS 27 HE3 LYS 27 2.317 22.595 13.110 218 HZ1 LYS 27 HZ1 LYS 27 3.571 20.886 14.360 219 HZ2 LYS 27 HZ2 LYS 27 3.943 22.425 14.853 220 HZ3 LYS 27 HZ3 LYS 27 2.981 21.505 15.785 221 H GLU 28 H GLU 28 1.583 26.586 10.368 222 HA GLU 28 HA GLU 28 0.200 24.555 8.852 223 HB2 GLU 28 HB2 GLU 28 1.237 27.340 8.244 224 HB3 GLU 28 HB3 GLU 28 0.738 26.318 6.935 225 HG2 GLU 28 HG2 GLU 28 -1.115 26.830 9.277 226 HG3 GLU 28 HG3 GLU 28 -1.049 27.878 7.846 227 H HIS 29 H HIS 29 3.632 25.443 9.073 228 HA HIS 29 HA HIS 29 4.322 24.143 6.573 229 HB2 HIS 29 HB2 HIS 29 5.651 26.022 7.702 230 HB3 HIS 29 HB3 HIS 29 6.227 24.819 8.835 231 HD2 HIS 29 HD2 HIS 29 8.744 25.200 7.939 232 HE1 HIS 29 HE1 HIS 29 8.242 23.299 4.172 233 HE2 HIS 29 HE2 HIS 29 9.946 24.235 5.798 234 H VAL 30 H VAL 30 3.609 22.985 9.688 235 HA VAL 30 HA VAL 30 4.908 20.371 9.182 236 HB VAL 30 HB VAL 30 3.886 21.348 11.835 237 HG11 VAL 30 HG11 VAL 30 5.335 19.524 12.722 238 HG12 VAL 30 HG12 VAL 30 4.081 18.886 11.651 239 HG13 VAL 30 HG13 VAL 30 5.744 19.046 11.059 240 HG21 VAL 30 HG21 VAL 30 6.298 21.689 12.434 241 HG22 VAL 30 HG22 VAL 30 6.735 21.403 10.728 242 HG23 VAL 30 HG23 VAL 30 5.761 22.806 11.180 243 H ARG 31 H ARG 31 1.817 21.968 9.588 244 HA ARG 31 HA ARG 31 0.311 19.515 10.037 245 HB2 ARG 31 HB2 ARG 31 -0.280 21.859 10.887 246 HB3 ARG 31 HB3 ARG 31 -0.617 22.331 9.237 247 HG2 ARG 31 HG2 ARG 31 -2.142 19.969 9.627 248 HG3 ARG 31 HG3 ARG 31 -2.213 20.819 11.168 249 HD2 ARG 31 HD2 ARG 31 -2.799 22.923 9.627 250 HD3 ARG 31 HD3 ARG 31 -3.209 21.691 8.439 251 HE ARG 31 HE ARG 31 -5.052 21.047 9.748 252 HH11 ARG 31 HH11 ARG 31 -3.211 23.456 11.471 253 HH12 ARG 31 HH12 ARG 31 -4.391 23.643 12.731 254 HH21 ARG 31 HH21 ARG 31 -6.567 21.326 11.372 255 HH22 ARG 31 HH22 ARG 31 -6.280 22.453 12.651 256 H SER 32 H SER 32 0.500 18.189 8.419 257 HA SER 32 HA SER 32 0.461 17.137 6.445 258 HB2 SER 32 HB2 SER 32 -1.917 18.109 6.595 259 HB3 SER 32 HB3 SER 32 -1.398 19.197 5.291 260 HG SER 32 HG SER 32 -2.196 17.368 4.314 261 H LYS 33 H LYS 33 2.251 19.760 6.728 262 HA LYS 33 HA LYS 33 3.034 19.983 3.864 263 HB2 LYS 33 HB2 LYS 33 2.874 21.874 6.119 264 HB3 LYS 33 HB3 LYS 33 4.215 22.118 5.010 265 HG2 LYS 33 HG2 LYS 33 1.355 21.835 3.996 266 HG3 LYS 33 HG3 LYS 33 1.996 23.381 4.525 267 HD2 LYS 33 HD2 LYS 33 3.308 21.679 2.371 268 HD3 LYS 33 HD3 LYS 33 2.152 22.967 2.038 269 HE2 LYS 33 HE2 LYS 33 3.643 24.620 2.368 270 HE3 LYS 33 HE3 LYS 33 4.267 23.889 3.848 271 HZ1 LYS 33 HZ1 LYS 33 5.940 24.009 2.084 272 HZ2 LYS 33 HZ2 LYS 33 5.652 22.448 2.557 273 HZ3 LYS 33 HZ3 LYS 33 5.039 23.007 1.144 274 H THR 34 H THR 34 4.450 19.322 7.014 275 HA THR 34 HA THR 34 7.106 18.894 5.823 276 HB THR 34 HB THR 34 6.023 18.434 8.624 277 HG1 THR 34 HG1 THR 34 7.610 20.048 9.039 278 HG21 THR 34 HG21 THR 34 8.399 18.022 9.291 279 HG22 THR 34 HG22 THR 34 7.728 16.717 8.316 280 HG23 THR 34 HG23 THR 34 8.834 17.887 7.569 281 H LYS 35 H LYS 35 4.221 17.044 6.620 282 HA LYS 35 HA LYS 35 5.412 14.394 6.267 283 HB2 LYS 35 HB2 LYS 35 2.562 15.515 6.363 284 HB3 LYS 35 HB3 LYS 35 2.862 13.833 5.915 285 HG2 LYS 35 HG2 LYS 35 4.009 13.430 8.065 286 HG3 LYS 35 HG3 LYS 35 3.708 15.121 8.533 287 HD2 LYS 35 HD2 LYS 35 1.211 14.624 8.105 288 HD3 LYS 35 HD3 LYS 35 1.650 12.917 8.035 289 HE2 LYS 35 HE2 LYS 35 2.357 14.748 10.379 290 HE3 LYS 35 HE3 LYS 35 0.812 13.889 10.277 291 HZ1 LYS 35 HZ1 LYS 35 2.453 12.650 11.561 292 HZ2 LYS 35 HZ2 LYS 35 2.000 11.800 10.240 293 HZ3 LYS 35 HZ3 LYS 35 3.453 12.550 10.264 294 H VAL 36 H VAL 36 3.439 16.556 4.107 295 HA VAL 36 HA VAL 36 3.834 14.619 1.954 296 HB VAL 36 HB VAL 36 1.714 16.059 2.461 297 HG11 VAL 36 HG11 VAL 36 1.442 18.130 1.388 298 HG12 VAL 36 HG12 VAL 36 2.937 18.298 2.310 299 HG13 VAL 36 HG13 VAL 36 3.016 18.043 0.565 300 HG21 VAL 36 HG21 VAL 36 1.062 16.021 0.078 301 HG22 VAL 36 HG22 VAL 36 2.749 15.738 -0.374 302 HG23 VAL 36 HG23 VAL 36 1.872 14.529 0.586 303 HA PRO 37 HA PRO 37 7.538 16.826 0.533 304 HB2 PRO 37 HB3 PRO 37 7.743 15.815 -2.018 305 HB3 PRO 37 HB2 PRO 37 8.202 14.900 -0.552 306 HG2 PRO 37 HG3 PRO 37 5.579 14.777 -2.090 307 HG3 PRO 37 HG2 PRO 37 6.603 13.410 -1.516 308 HD2 PRO 37 HD3 PRO 37 4.446 14.227 -0.115 309 HD3 PRO 37 HD2 PRO 37 5.933 13.726 0.729 310 H VAL 38 H VAL 38 4.488 16.748 -1.259 311 HA VAL 38 HA VAL 38 4.381 19.578 -1.701 312 HB VAL 38 HB VAL 38 5.945 18.965 -3.501 313 HG11 VAL 38 HG11 VAL 38 5.661 17.377 -5.142 314 HG12 VAL 38 HG12 VAL 38 4.991 16.524 -3.771 315 HG13 VAL 38 HG13 VAL 38 3.896 17.304 -4.925 316 HG21 VAL 38 HG21 VAL 38 4.754 19.990 -5.356 317 HG22 VAL 38 HG22 VAL 38 3.196 19.628 -4.593 318 HG23 VAL 38 HG23 VAL 38 4.315 20.781 -3.847 319 H GLN 39 H GLN 39 2.309 20.095 -1.796 320 HA GLN 39 HA GLN 39 0.261 17.968 -1.821 321 HB2 GLN 39 HB2 GLN 39 0.527 19.628 0.102 322 HB3 GLN 39 HB3 GLN 39 -0.063 20.880 -0.981 323 HG2 GLN 39 HG2 GLN 39 -2.237 20.040 -0.968 324 HG3 GLN 39 HG3 GLN 39 -1.716 18.368 -0.742 325 HE21 GLN 39 HE21 GLN 39 -1.711 21.516 1.045 326 HE22 GLN 39 HE22 GLN 39 -2.023 20.737 2.610 327 H ASP 40 H ASP 40 1.035 21.040 -3.388 328 HA ASP 40 HA ASP 40 0.092 20.147 -5.901 329 HB2 ASP 40 HB2 ASP 40 -1.888 21.575 -4.354 330 HB3 ASP 40 HB3 ASP 40 -1.314 22.672 -5.584 331 H GLN 41 H GLN 41 0.854 22.959 -3.879 332 HA GLN 41 HA GLN 41 2.885 23.953 -5.809 333 HB2 GLN 41 HB2 GLN 41 0.460 24.944 -6.063 334 HB3 GLN 41 HB3 GLN 41 0.760 25.724 -4.522 335 HG2 GLN 41 HG2 GLN 41 3.016 26.491 -5.905 336 HG3 GLN 41 HG3 GLN 41 1.919 26.224 -7.248 337 HE21 GLN 41 HE21 GLN 41 1.875 28.459 -7.832 338 HE22 GLN 41 HE22 GLN 41 1.094 29.663 -6.823 339 H VAL 42 H VAL 42 4.699 23.972 -4.612 340 HA VAL 42 HA VAL 42 4.597 25.030 -1.794 341 HB VAL 42 HB VAL 42 6.590 23.652 -1.335 342 HG11 VAL 42 HG11 VAL 42 5.419 21.549 -0.947 343 HG12 VAL 42 HG12 VAL 42 4.389 22.953 -0.579 344 HG13 VAL 42 HG13 VAL 42 4.139 22.052 -2.070 345 HG21 VAL 42 HG21 VAL 42 7.130 21.638 -2.670 346 HG22 VAL 42 HG22 VAL 42 6.068 22.222 -3.958 347 HG23 VAL 42 HG23 VAL 42 7.512 23.141 -3.520 348 H LEU 43 H LEU 43 6.150 26.449 -1.216 349 HA LEU 43 HA LEU 43 7.525 27.832 -3.405 350 HB2 LEU 43 HB2 LEU 43 6.160 28.553 -0.939 351 HB3 LEU 43 HB3 LEU 43 7.829 28.922 -0.673 352 HG LEU 43 HG LEU 43 6.894 29.883 -3.286 353 HD11 LEU 43 HD11 LEU 43 5.603 31.747 -2.410 354 HD12 LEU 43 HD12 LEU 43 4.818 30.215 -2.025 355 HD13 LEU 43 HD13 LEU 43 5.714 31.089 -0.757 356 HD21 LEU 43 HD21 LEU 43 8.116 31.824 -2.754 357 HD22 LEU 43 HD22 LEU 43 8.174 31.432 -1.007 358 HD23 LEU 43 HD23 LEU 43 9.090 30.476 -2.202 359 H LEU 44 H LEU 44 9.782 28.484 -3.047 360 HA LEU 44 HA LEU 44 11.423 26.772 -1.224 361 HB2 LEU 44 HB2 LEU 44 11.752 27.097 -4.263 362 HB3 LEU 44 HB3 LEU 44 13.062 26.706 -3.185 363 HG LEU 44 HG LEU 44 11.676 24.697 -2.407 364 HD11 LEU 44 HD11 LEU 44 10.244 23.693 -4.209 365 HD12 LEU 44 HD12 LEU 44 9.526 25.147 -3.541 366 HD13 LEU 44 HD13 LEU 44 10.346 25.229 -5.105 367 HD21 LEU 44 HD21 LEU 44 12.597 23.296 -4.184 368 HD22 LEU 44 HD22 LEU 44 12.851 24.729 -5.214 369 HD23 LEU 44 HD23 LEU 44 13.759 24.526 -3.694 370 H LEU 45 H LEU 45 13.090 27.867 -0.387 371 HA LEU 45 HA LEU 45 14.240 30.270 -1.590 372 HB2 LEU 45 HB2 LEU 45 12.079 31.145 -0.489 373 HB3 LEU 45 HB3 LEU 45 12.715 30.613 1.047 374 HG LEU 45 HG LEU 45 14.838 32.131 -0.113 375 HD11 LEU 45 HD11 LEU 45 13.783 34.278 -0.668 376 HD12 LEU 45 HD12 LEU 45 13.249 33.000 -1.765 377 HD13 LEU 45 HD13 LEU 45 12.177 33.529 -0.470 378 HD21 LEU 45 HD21 LEU 45 14.331 33.733 1.684 379 HD22 LEU 45 HD22 LEU 45 12.772 32.903 1.972 380 HD23 LEU 45 HD23 LEU 45 14.320 32.068 2.260 381 H GLY 46 H GLY 46 16.304 29.817 -1.212 382 HA2 GLY 46 HA2 GLY 46 18.287 29.581 -0.052 383 HA3 GLY 46 HA3 GLY 46 17.394 29.679 1.472 384 H SER 47 H SER 47 17.282 27.363 -1.261 385 HA SER 47 HA SER 47 17.348 25.137 -1.417 386 HB2 SER 47 HB2 SER 47 19.329 25.164 0.853 387 HB3 SER 47 HB3 SER 47 19.155 23.940 -0.422 388 HG SER 47 HG SER 47 20.836 25.438 -0.877 389 H LYS 48 H LYS 48 15.552 26.312 0.866 390 HA LYS 48 HA LYS 48 14.689 23.621 1.887 391 HB2 LYS 48 HB2 LYS 48 13.910 24.760 3.926 392 HB3 LYS 48 HB3 LYS 48 15.650 24.942 3.731 393 HG2 LYS 48 HG2 LYS 48 15.374 27.235 2.984 394 HG3 LYS 48 HG3 LYS 48 13.606 27.077 2.958 395 HD2 LYS 48 HD2 LYS 48 13.640 26.746 5.436 396 HD3 LYS 48 HD3 LYS 48 15.409 27.025 5.405 397 HE2 LYS 48 HE2 LYS 48 15.023 29.243 4.340 398 HE3 LYS 48 HE3 LYS 48 13.275 28.954 4.372 399 HZ1 LYS 48 HZ1 LYS 48 13.942 30.296 6.259 400 HZ2 LYS 48 HZ2 LYS 48 13.416 28.837 6.812 401 HZ3 LYS 48 HZ3 LYS 48 15.024 29.173 6.753 402 H ILE 49 H ILE 49 12.377 23.556 2.383 403 HA ILE 49 HA ILE 49 10.749 24.904 0.341 404 HB ILE 49 HB ILE 49 10.038 22.928 2.562 405 HG12 ILE 49 HG12 ILE 49 11.470 21.930 0.785 406 HG13 ILE 49 HG13 ILE 49 9.897 21.183 0.955 407 HG21 ILE 49 HG21 ILE 49 7.895 22.580 1.327 408 HG22 ILE 49 HG22 ILE 49 8.041 24.197 2.060 409 HG23 ILE 49 HG23 ILE 49 8.299 23.987 0.316 410 HD11 ILE 49 HD11 ILE 49 10.678 21.493 -1.417 411 HD12 ILE 49 HD12 ILE 49 9.077 22.172 -1.070 412 HD13 ILE 49 HD13 ILE 49 10.480 23.243 -1.192 413 H LEU 50 H LEU 50 9.471 26.571 0.722 414 HA LEU 50 HA LEU 50 9.150 27.714 3.480 415 HB2 LEU 50 HB2 LEU 50 9.609 28.864 0.781 416 HB3 LEU 50 HB3 LEU 50 8.139 29.487 1.484 417 HG LEU 50 HG LEU 50 10.190 30.876 1.790 418 HD11 LEU 50 HD11 LEU 50 9.608 31.554 4.069 419 HD12 LEU 50 HD12 LEU 50 8.161 31.209 3.104 420 HD13 LEU 50 HD13 LEU 50 8.741 30.033 4.319 421 HD21 LEU 50 HD21 LEU 50 11.798 30.378 3.463 422 HD22 LEU 50 HD22 LEU 50 10.935 28.901 3.975 423 HD23 LEU 50 HD23 LEU 50 11.727 28.972 2.389 424 H LYS 51 H LYS 51 7.179 27.740 4.278 425 HA LYS 51 HA LYS 51 4.889 26.614 2.814 426 HB2 LYS 51 HB2 LYS 51 4.948 25.692 4.957 427 HB3 LYS 51 HB3 LYS 51 5.526 27.169 5.721 428 HG2 LYS 51 HG2 LYS 51 3.253 26.659 6.438 429 HG3 LYS 51 HG3 LYS 51 3.285 28.163 5.568 430 HD2 LYS 51 HD2 LYS 51 2.760 26.237 3.563 431 HD3 LYS 51 HD3 LYS 51 1.842 25.667 4.958 432 HE2 LYS 51 HE2 LYS 51 0.579 27.691 5.099 433 HE3 LYS 51 HE3 LYS 51 1.748 28.578 4.088 434 HZ1 LYS 51 HZ1 LYS 51 -0.229 27.995 2.846 435 HZ2 LYS 51 HZ2 LYS 51 1.090 27.236 2.211 436 HZ3 LYS 51 HZ3 LYS 51 -0.015 26.403 3.137 437 HA PRO 52 HA PRO 52 3.084 30.886 3.705 438 HB2 PRO 52 HB3 PRO 52 4.564 32.982 4.718 439 HB3 PRO 52 HB2 PRO 52 3.766 31.744 5.721 440 HG2 PRO 52 HG3 PRO 52 6.663 31.806 4.807 441 HG3 PRO 52 HG2 PRO 52 6.050 31.587 6.480 442 HD2 PRO 52 HD3 PRO 52 6.703 29.461 4.988 443 HD3 PRO 52 HD2 PRO 52 5.251 29.416 6.025 444 H ARG 53 H ARG 53 3.189 33.056 2.666 445 HA ARG 53 HA ARG 53 4.367 32.984 0.027 446 HB2 ARG 53 HB2 ARG 53 2.842 35.062 1.718 447 HB3 ARG 53 HB3 ARG 53 3.378 35.407 0.104 448 HG2 ARG 53 HG2 ARG 53 1.557 34.498 -0.746 449 HG3 ARG 53 HG3 ARG 53 2.054 32.925 -0.148 450 HD2 ARG 53 HD2 ARG 53 0.719 33.160 1.835 451 HD3 ARG 53 HD3 ARG 53 0.509 34.892 1.579 452 HE ARG 53 HE ARG 53 -1.265 34.477 0.223 453 HH11 ARG 53 HH11 ARG 53 0.515 31.463 0.245 454 HH12 ARG 53 HH12 ARG 53 -0.657 30.666 -0.775 455 HH21 ARG 53 HH21 ARG 53 -2.661 33.423 -1.148 456 HH22 ARG 53 HH22 ARG 53 -2.403 31.779 -1.568 457 H ARG 54 H ARG 54 5.833 33.793 2.878 458 HA ARG 54 HA ARG 54 7.842 34.304 3.429 459 HB2 ARG 54 HB2 ARG 54 8.322 33.374 1.107 460 HB3 ARG 54 HB3 ARG 54 8.655 35.066 0.660 461 HG2 ARG 54 HG2 ARG 54 9.972 33.711 3.065 462 HG3 ARG 54 HG3 ARG 54 10.594 33.498 1.442 463 HD2 ARG 54 HD2 ARG 54 11.260 35.723 1.229 464 HD3 ARG 54 HD3 ARG 54 10.227 36.282 2.547 465 HE ARG 54 HE ARG 54 11.766 34.727 3.987 466 HH11 ARG 54 HH11 ARG 54 12.954 36.815 1.425 467 HH12 ARG 54 HH12 ARG 54 14.474 37.096 2.222 468 HH21 ARG 54 HH21 ARG 54 13.703 35.125 4.971 469 HH22 ARG 54 HH22 ARG 54 14.884 36.127 4.204 470 H SER 55 H SER 55 7.297 35.885 4.852 471 HA SER 55 HA SER 55 7.131 38.666 3.894 472 HB2 SER 55 HB2 SER 55 5.364 37.702 6.101 473 HB3 SER 55 HB3 SER 55 5.199 39.105 5.047 474 HG SER 55 HG SER 55 3.736 37.386 4.596 475 H LEU 56 H LEU 56 8.518 39.988 4.951 476 HA LEU 56 HA LEU 56 9.964 38.848 7.299 477 HB2 LEU 56 HB2 LEU 56 10.565 41.520 5.962 478 HB3 LEU 56 HB3 LEU 56 11.616 40.503 6.927 479 HG LEU 56 HG LEU 56 10.632 40.017 4.092 480 HD11 LEU 56 HD11 LEU 56 12.975 40.306 3.473 481 HD12 LEU 56 HD12 LEU 56 12.397 41.730 4.349 482 HD13 LEU 56 HD13 LEU 56 13.421 40.546 5.179 483 HD21 LEU 56 HD21 LEU 56 12.021 38.076 3.990 484 HD22 LEU 56 HD22 LEU 56 12.518 38.257 5.697 485 HD23 LEU 56 HD23 LEU 56 10.849 37.842 5.279 486 H SER 57 H SER 57 8.730 42.125 6.563 487 HA SER 57 HA SER 57 6.981 42.255 8.670 488 HB2 SER 57 HB2 SER 57 9.248 42.608 9.842 489 HB3 SER 57 HB3 SER 57 8.974 44.304 9.330 490 HG SER 57 HG SER 57 8.023 43.426 11.417 491 H SER 58 H SER 58 5.447 42.925 7.016 492 HA SER 58 HA SER 58 6.046 45.362 5.462 493 HB2 SER 58 HB2 SER 58 4.996 43.591 4.323 494 HB3 SER 58 HB3 SER 58 3.705 43.465 5.547 495 HG SER 58 HG SER 58 2.837 44.602 3.954 496 H TYR 59 H TYR 59 4.459 44.544 8.455 497 HA TYR 59 HA TYR 59 2.792 46.939 8.493 498 HB2 TYR 59 HB2 TYR 59 2.167 44.735 9.531 499 HB3 TYR 59 HB3 TYR 59 3.511 44.884 10.644 500 HD1 TYR 59 HD1 TYR 59 0.336 46.536 9.553 501 HD2 TYR 59 HD2 TYR 59 3.249 46.096 12.715 502 HE1 TYR 59 HE1 TYR 59 -1.110 47.859 11.088 503 HE2 TYR 59 HE2 TYR 59 1.794 47.409 14.229 504 HH TYR 59 HH TYR 59 -0.172 48.571 14.447 505 H GLY 60 H GLY 60 5.993 45.985 9.704 506 HA2 GLY 60 HA2 GLY 60 6.305 48.414 11.350 507 HA3 GLY 60 HA3 GLY 60 7.439 47.057 11.229 508 H ILE 61 H ILE 61 7.183 47.348 8.116 509 HA ILE 61 HA ILE 61 9.103 49.628 7.866 510 HB ILE 61 HB ILE 61 8.937 47.094 6.156 511 HG12 ILE 61 HG12 ILE 61 11.001 47.708 8.295 512 HG13 ILE 61 HG13 ILE 61 9.709 46.528 8.450 513 HG21 ILE 61 HG21 ILE 61 11.067 47.887 5.188 514 HG22 ILE 61 HG22 ILE 61 9.834 49.119 5.009 515 HG23 ILE 61 HG23 ILE 61 11.048 49.280 6.285 516 HD11 ILE 61 HD11 ILE 61 11.686 45.314 7.910 517 HD12 ILE 61 HD12 ILE 61 10.659 45.292 6.458 518 HD13 ILE 61 HD13 ILE 61 12.079 46.369 6.548 519 H ASP 62 H ASP 62 8.128 51.227 6.870 520 HA ASP 62 HA ASP 62 5.903 50.844 4.988 521 HB2 ASP 62 HB2 ASP 62 5.617 52.347 6.986 522 HB3 ASP 62 HB3 ASP 62 6.918 53.368 6.396 523 H LYS 63 H LYS 63 6.921 50.305 3.229 524 HA LYS 63 HA LYS 63 7.867 52.317 1.413 525 HB2 LYS 63 HB2 LYS 63 9.912 50.499 2.705 526 HB3 LYS 63 HB3 LYS 63 9.983 50.535 0.957 527 HG2 LYS 63 HG2 LYS 63 10.607 52.727 0.810 528 HG3 LYS 63 HG3 LYS 63 9.739 53.208 2.246 529 HD2 LYS 63 HD2 LYS 63 11.606 51.776 3.508 530 HD3 LYS 63 HD3 LYS 63 12.518 52.079 2.006 531 HE2 LYS 63 HE2 LYS 63 11.887 54.546 2.285 532 HE3 LYS 63 HE3 LYS 63 11.166 54.117 3.845 533 HZ1 LYS 63 HZ1 LYS 63 13.391 54.920 4.165 534 HZ2 LYS 63 HZ2 LYS 63 13.371 53.320 4.533 535 HZ3 LYS 63 HZ3 LYS 63 14.022 53.833 3.111 536 H GLU 64 H GLU 64 7.070 51.763 -0.491 537 HA GLU 64 HA GLU 64 5.950 49.131 -0.916 538 HB2 GLU 64 HB2 GLU 64 5.273 50.089 -3.124 539 HB3 GLU 64 HB3 GLU 64 4.581 50.856 -1.731 540 HG2 GLU 64 HG2 GLU 64 7.031 52.162 -2.908 541 HG3 GLU 64 HG3 GLU 64 5.563 52.187 -3.874 542 H LYS 65 H LYS 65 7.328 47.598 -1.348 543 HA LYS 65 HA LYS 65 9.313 47.867 -3.552 544 HB2 LYS 65 HB2 LYS 65 10.954 46.619 -2.278 545 HB3 LYS 65 HB3 LYS 65 10.535 48.087 -1.411 546 HG2 LYS 65 HG2 LYS 65 9.117 46.750 0.125 547 HG3 LYS 65 HG3 LYS 65 9.567 45.273 -0.750 548 HD2 LYS 65 HD2 LYS 65 11.992 45.773 -0.116 549 HD3 LYS 65 HD3 LYS 65 11.359 47.092 0.885 550 HE2 LYS 65 HE2 LYS 65 9.768 45.203 1.855 551 HE3 LYS 65 HE3 LYS 65 10.968 44.102 1.174 552 HZ1 LYS 65 HZ1 LYS 65 11.482 44.629 3.472 553 HZ2 LYS 65 HZ2 LYS 65 12.653 45.295 2.515 554 HZ3 LYS 65 HZ3 LYS 65 11.468 46.237 3.163 555 H THR 66 H THR 66 9.687 46.045 -4.691 556 HA THR 66 HA THR 66 7.747 43.784 -4.442 557 HB THR 66 HB THR 66 8.479 43.415 -6.874 558 HG1 THR 66 HG1 THR 66 9.317 45.215 -7.950 559 HG21 THR 66 HG21 THR 66 6.976 45.128 -7.797 560 HG22 THR 66 HG22 THR 66 6.316 44.423 -6.311 561 HG23 THR 66 HG23 THR 66 7.054 46.033 -6.276 562 H ILE 67 H ILE 67 8.566 41.722 -4.700 563 HA ILE 67 HA ILE 67 11.490 41.260 -4.283 564 HB ILE 67 HB ILE 67 9.944 39.398 -2.728 565 HG12 ILE 67 HG12 ILE 67 8.168 41.093 -2.414 566 HG13 ILE 67 HG13 ILE 67 8.923 40.437 -0.976 567 HG21 ILE 67 HG21 ILE 67 11.403 40.063 -0.903 568 HG22 ILE 67 HG22 ILE 67 12.279 39.834 -2.421 569 HG23 ILE 67 HG23 ILE 67 11.933 41.482 -1.846 570 HD11 ILE 67 HD11 ILE 67 8.410 42.861 -0.811 571 HD12 ILE 67 HD12 ILE 67 10.106 42.469 -0.513 572 HD13 ILE 67 HD13 ILE 67 9.617 43.185 -2.055 573 H HIS 68 H HIS 68 12.079 39.109 -4.857 574 HA HIS 68 HA HIS 68 10.100 37.534 -6.466 575 HB2 HIS 68 HB2 HIS 68 11.405 39.157 -7.911 576 HB3 HIS 68 HB3 HIS 68 12.899 38.375 -7.414 577 HD2 HIS 68 HD2 HIS 68 13.670 36.639 -9.209 578 HE1 HIS 68 HE1 HIS 68 9.863 35.505 -10.792 579 HE2 HIS 68 HE2 HIS 68 12.398 35.178 -10.995 580 H LEU 69 H LEU 69 10.326 35.492 -6.176 581 HA LEU 69 HA LEU 69 12.502 34.298 -4.489 582 HB2 LEU 69 HB2 LEU 69 9.609 33.415 -4.319 583 HB3 LEU 69 HB3 LEU 69 10.846 33.289 -3.128 584 HG LEU 69 HG LEU 69 9.882 36.087 -3.641 585 HD11 LEU 69 HD11 LEU 69 7.813 35.749 -2.376 586 HD12 LEU 69 HD12 LEU 69 7.803 34.795 -3.855 587 HD13 LEU 69 HD13 LEU 69 8.103 34.014 -2.295 588 HD21 LEU 69 HD21 LEU 69 9.907 36.227 -1.211 589 HD22 LEU 69 HD22 LEU 69 10.204 34.481 -1.080 590 HD23 LEU 69 HD23 LEU 69 11.450 35.563 -1.781 591 H THR 70 H THR 70 12.091 31.747 -4.561 592 HA THR 70 HA THR 70 11.382 30.927 -7.339 593 HB THR 70 HB THR 70 12.723 28.911 -6.934 594 HG1 THR 70 HG1 THR 70 14.155 28.877 -5.179 595 HG21 THR 70 HG21 THR 70 15.011 29.904 -6.906 596 HG22 THR 70 HG22 THR 70 13.924 30.693 -8.030 597 HG23 THR 70 HG23 THR 70 14.294 31.464 -6.475 598 H LEU 71 H LEU 71 10.174 28.968 -7.570 599 HA LEU 71 HA LEU 71 8.761 27.743 -5.320 600 HB2 LEU 71 HB2 LEU 71 7.451 29.744 -5.553 601 HB3 LEU 71 HB3 LEU 71 7.454 29.688 -7.297 602 HG LEU 71 HG LEU 71 6.114 27.414 -5.832 603 HD11 LEU 71 HD11 LEU 71 4.035 28.581 -5.570 604 HD12 LEU 71 HD12 LEU 71 5.261 29.402 -4.626 605 HD13 LEU 71 HD13 LEU 71 4.744 30.077 -6.191 606 HD21 LEU 71 HD21 LEU 71 4.485 27.707 -7.752 607 HD22 LEU 71 HD22 LEU 71 5.529 29.011 -8.348 608 HD23 LEU 71 HD23 LEU 71 6.130 27.366 -8.307 609 H LYS 72 H LYS 72 7.519 25.926 -6.061 610 HA LYS 72 HA LYS 72 7.786 24.983 -8.856 611 HB2 LYS 72 HB2 LYS 72 9.936 24.310 -7.618 612 HB3 LYS 72 HB3 LYS 72 8.927 23.453 -6.446 613 HG2 LYS 72 HG2 LYS 72 8.027 22.233 -8.675 614 HG3 LYS 72 HG3 LYS 72 9.564 22.771 -9.323 615 HD2 LYS 72 HD2 LYS 72 9.139 21.106 -6.807 616 HD3 LYS 72 HD3 LYS 72 9.598 20.457 -8.381 617 HE2 LYS 72 HE2 LYS 72 11.732 21.555 -8.349 618 HE3 LYS 72 HE3 LYS 72 11.294 22.518 -6.925 619 HZ1 LYS 72 HZ1 LYS 72 12.696 20.572 -6.395 620 HZ2 LYS 72 HZ2 LYS 72 11.238 20.522 -5.609 621 HZ3 LYS 72 HZ3 LYS 72 11.500 19.572 -6.922 622 H VAL 73 H VAL 73 5.936 23.943 -9.321 623 HA VAL 73 HA VAL 73 4.198 22.812 -7.197 624 HB VAL 73 HB VAL 73 2.543 23.999 -8.032 625 HG11 VAL 73 HG11 VAL 73 2.619 25.578 -9.870 626 HG12 VAL 73 HG12 VAL 73 4.027 25.751 -8.832 627 HG13 VAL 73 HG13 VAL 73 4.170 24.923 -10.399 628 HG21 VAL 73 HG21 VAL 73 1.454 23.552 -10.131 629 HG22 VAL 73 HG22 VAL 73 2.895 22.756 -10.780 630 HG23 VAL 73 HG23 VAL 73 1.983 22.037 -9.429 631 H VAL 74 H VAL 74 3.576 20.818 -7.346 632 HA VAL 74 HA VAL 74 4.093 19.026 -9.578 633 HB VAL 74 HB VAL 74 5.484 18.527 -6.916 634 HG11 VAL 74 HG11 VAL 74 6.666 16.689 -8.159 635 HG12 VAL 74 HG12 VAL 74 4.959 16.418 -7.974 636 HG13 VAL 74 HG13 VAL 74 5.586 16.994 -9.536 637 HG21 VAL 74 HG21 VAL 74 7.659 18.735 -8.047 638 HG22 VAL 74 HG22 VAL 74 6.826 19.349 -9.502 639 HG23 VAL 74 HG23 VAL 74 6.774 20.260 -7.978 640 H LYS 75 H LYS 75 3.049 16.936 -9.132 641 HA LYS 75 HA LYS 75 1.266 15.642 -8.568 642 HB2 LYS 75 HB2 LYS 75 1.776 16.747 -5.784 643 HB3 LYS 75 HB3 LYS 75 0.605 15.513 -6.125 644 HG2 LYS 75 HG2 LYS 75 3.454 15.012 -6.986 645 HG3 LYS 75 HG3 LYS 75 3.046 14.928 -5.278 646 HD2 LYS 75 HD2 LYS 75 1.218 13.282 -5.858 647 HD3 LYS 75 HD3 LYS 75 1.857 13.250 -7.515 648 HE2 LYS 75 HE2 LYS 75 4.153 12.706 -6.445 649 HE3 LYS 75 HE3 LYS 75 3.278 12.484 -4.918 650 HZ1 LYS 75 HZ1 LYS 75 3.555 10.386 -5.990 651 HZ2 LYS 75 HZ2 LYS 75 1.945 10.764 -6.043 652 HZ3 LYS 75 HZ3 LYS 75 2.872 10.933 -7.398 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 1.556 44.958 -0.465 2 H2 LEU 1 H2 LEU 1 2.540 44.033 0.429 3 H3 LEU 1 H3 LEU 1 2.768 45.677 0.412 4 HA LEU 1 HA LEU 1 3.327 45.618 -1.939 5 HB2 LEU 1 HB2 LEU 1 4.948 44.072 0.105 6 HB3 LEU 1 HB3 LEU 1 5.515 44.065 -1.552 7 HG LEU 1 HG LEU 1 4.976 46.564 0.064 8 HD11 LEU 1 HD11 LEU 1 7.448 46.753 0.078 9 HD12 LEU 1 HD12 LEU 1 6.893 45.299 0.920 10 HD13 LEU 1 HD13 LEU 1 7.574 45.168 -0.712 11 HD21 LEU 1 HD21 LEU 1 6.149 47.655 -1.860 12 HD22 LEU 1 HD22 LEU 1 6.171 46.124 -2.716 13 HD23 LEU 1 HD23 LEU 1 4.643 46.956 -2.355 14 H CYS 2 H CYS 2 4.643 43.648 -3.352 15 HA CYS 2 HA CYS 2 2.893 41.256 -3.460 16 HB2 CYS 2 HB2 CYS 2 2.837 41.450 -5.925 17 HB3 CYS 2 HB3 CYS 2 1.960 42.770 -5.150 18 HG CYS 2 HG CYS 2 3.101 43.746 -7.249 19 H VAL 3 H VAL 3 3.921 39.493 -4.326 20 HA VAL 3 HA VAL 3 6.921 39.539 -4.492 21 HB VAL 3 HB VAL 3 6.583 37.123 -3.487 22 HG11 VAL 3 HG11 VAL 3 6.734 38.000 -1.131 23 HG12 VAL 3 HG12 VAL 3 7.845 38.733 -2.286 24 HG13 VAL 3 HG13 VAL 3 6.369 39.599 -1.790 25 HG21 VAL 3 HG21 VAL 3 4.839 36.633 -2.027 26 HG22 VAL 3 HG22 VAL 3 4.280 38.310 -1.945 27 HG23 VAL 3 HG23 VAL 3 4.030 37.364 -3.416 28 H HIS 4 H HIS 4 7.716 38.181 -6.055 29 HA HIS 4 HA HIS 4 5.728 37.083 -8.003 30 HB2 HIS 4 HB2 HIS 4 8.572 38.114 -8.497 31 HB3 HIS 4 HB3 HIS 4 7.380 37.682 -9.687 32 HD2 HIS 4 HD2 HIS 4 5.067 39.609 -8.078 33 HE1 HIS 4 HE1 HIS 4 7.525 42.663 -9.764 34 HE2 HIS 4 HE2 HIS 4 5.254 42.161 -8.700 35 H VAL 5 H VAL 5 6.260 35.127 -8.906 36 HA VAL 5 HA VAL 5 8.475 33.553 -7.696 37 HB VAL 5 HB VAL 5 6.769 31.704 -7.568 38 HG11 VAL 5 HG11 VAL 5 6.006 32.314 -5.348 39 HG12 VAL 5 HG12 VAL 5 7.656 32.887 -5.599 40 HG13 VAL 5 HG13 VAL 5 6.297 34.034 -5.681 41 HG21 VAL 5 HG21 VAL 5 4.385 32.203 -7.190 42 HG22 VAL 5 HG22 VAL 5 4.643 33.887 -7.656 43 HG23 VAL 5 HG23 VAL 5 4.854 32.569 -8.835 44 H ARG 6 H ARG 6 9.501 32.454 -9.128 45 HA ARG 6 HA ARG 6 8.504 32.396 -11.910 46 HB2 ARG 6 HB2 ARG 6 10.768 32.240 -12.600 47 HB3 ARG 6 HB3 ARG 6 10.811 33.346 -11.258 48 HG2 ARG 6 HG2 ARG 6 12.685 32.073 -10.836 49 HG3 ARG 6 HG3 ARG 6 11.510 31.255 -9.838 50 HD2 ARG 6 HD2 ARG 6 11.249 29.904 -12.271 51 HD3 ARG 6 HD3 ARG 6 12.951 30.369 -12.311 52 HE ARG 6 HE ARG 6 12.038 29.116 -9.823 53 HH11 ARG 6 HH11 ARG 6 13.088 28.341 -13.030 54 HH12 ARG 6 HH12 ARG 6 13.559 26.715 -12.646 55 HH21 ARG 6 HH21 ARG 6 12.676 27.041 -9.308 56 HH22 ARG 6 HH22 ARG 6 13.380 26.017 -10.528 57 H SER 7 H SER 7 7.584 30.662 -12.571 58 HA SER 7 HA SER 7 8.715 28.099 -12.817 59 HB2 SER 7 HB2 SER 7 7.285 28.572 -10.263 60 HB3 SER 7 HB3 SER 7 6.571 27.235 -11.111 61 HG SER 7 HG SER 7 8.554 27.136 -9.722 62 H GLU 8 H GLU 8 6.458 26.542 -12.858 63 HA GLU 8 HA GLU 8 4.654 27.703 -14.913 64 HB2 GLU 8 HB2 GLU 8 5.485 24.882 -14.042 65 HB3 GLU 8 HB3 GLU 8 4.075 25.164 -15.059 66 HG2 GLU 8 HG2 GLU 8 5.364 26.107 -16.828 67 HG3 GLU 8 HG3 GLU 8 6.817 26.214 -15.820 68 H GLU 9 H GLU 9 3.606 28.960 -13.368 69 HA GLU 9 HA GLU 9 1.434 27.486 -12.019 70 HB2 GLU 9 HB2 GLU 9 1.396 28.962 -10.154 71 HB3 GLU 9 HB3 GLU 9 2.968 28.202 -10.220 72 HG2 GLU 9 HG2 GLU 9 2.487 31.054 -11.198 73 HG3 GLU 9 HG3 GLU 9 2.807 30.651 -9.522 74 H TRP 10 H TRP 10 -0.444 28.762 -11.751 75 HA TRP 10 HA TRP 10 -0.910 30.753 -13.910 76 HB2 TRP 10 HB2 TRP 10 -3.238 29.926 -13.849 77 HB3 TRP 10 HB3 TRP 10 -2.092 28.658 -14.265 78 HD1 TRP 10 HD1 TRP 10 -4.341 29.831 -11.387 79 HE1 TRP 10 HE1 TRP 10 -4.801 27.874 -9.787 80 HE3 TRP 10 HE3 TRP 10 -1.210 26.367 -13.449 81 HZ2 TRP 10 HZ2 TRP 10 -3.953 25.126 -9.475 82 HZ3 TRP 10 HZ3 TRP 10 -1.029 24.085 -12.477 83 HH2 TRP 10 HH2 TRP 10 -2.380 23.459 -10.504 84 H ASP 11 H ASP 11 -0.374 30.735 -10.689 85 HA ASP 11 HA ASP 11 -2.272 32.943 -10.089 86 HB2 ASP 11 HB2 ASP 11 -2.762 30.620 -9.001 87 HB3 ASP 11 HB3 ASP 11 -1.268 30.869 -8.087 88 H LEU 12 H LEU 12 -1.396 34.531 -8.663 89 HA LEU 12 HA LEU 12 1.613 34.559 -8.518 90 HB2 LEU 12 HB2 LEU 12 -0.423 36.705 -9.232 91 HB3 LEU 12 HB3 LEU 12 0.922 37.176 -8.222 92 HG LEU 12 HG LEU 12 2.521 36.215 -9.905 93 HD11 LEU 12 HD11 LEU 12 1.711 36.020 -12.237 94 HD12 LEU 12 HD12 LEU 12 1.000 34.786 -11.188 95 HD13 LEU 12 HD13 LEU 12 0.036 36.200 -11.669 96 HD21 LEU 12 HD21 LEU 12 2.401 38.187 -11.361 97 HD22 LEU 12 HD22 LEU 12 0.751 38.527 -10.778 98 HD23 LEU 12 HD23 LEU 12 2.137 38.624 -9.664 99 H MET 13 H MET 13 2.454 35.566 -6.696 100 HA MET 13 HA MET 13 0.839 35.078 -4.276 101 HB2 MET 13 HB2 MET 13 3.850 35.551 -4.702 102 HB3 MET 13 HB3 MET 13 3.095 35.097 -3.177 103 HG2 MET 13 HG2 MET 13 3.309 33.432 -5.687 104 HG3 MET 13 HG3 MET 13 4.155 33.166 -4.165 105 HE1 MET 13 HE1 MET 13 1.508 31.643 -1.846 106 HE2 MET 13 HE2 MET 13 3.231 31.786 -2.212 107 HE3 MET 13 HE3 MET 13 2.274 33.249 -1.829 108 H THR 14 H THR 14 1.130 36.636 -2.507 109 HA THR 14 HA THR 14 1.709 39.450 -3.318 110 HB THR 14 HB THR 14 -0.730 39.017 -3.656 111 HG1 THR 14 HG1 THR 14 -1.290 40.792 -2.258 112 HG21 THR 14 HG21 THR 14 -2.233 38.818 -1.743 113 HG22 THR 14 HG22 THR 14 -1.194 37.395 -1.818 114 HG23 THR 14 HG23 THR 14 -0.875 38.676 -0.626 115 H PHE 15 H PHE 15 1.972 40.827 -1.505 116 HA PHE 15 HA PHE 15 3.386 39.335 0.667 117 HB2 PHE 15 HB2 PHE 15 4.411 41.186 -1.048 118 HB3 PHE 15 HB3 PHE 15 3.732 42.270 0.125 119 HD1 PHE 15 HD2 PHE 15 4.293 41.005 2.749 120 HD2 PHE 15 HD1 PHE 15 6.710 41.465 -0.783 121 HE1 PHE 15 HE2 PHE 15 6.336 40.864 4.121 122 HE2 PHE 15 HE1 PHE 15 8.760 41.213 0.577 123 HZ PHE 15 HZ PHE 15 8.593 40.907 3.025 124 H ASP 16 H ASP 16 1.854 39.060 2.055 125 HA ASP 16 HA ASP 16 0.343 41.259 3.351 126 HB2 ASP 16 HB2 ASP 16 -0.709 39.156 1.581 127 HB3 ASP 16 HB3 ASP 16 -1.206 38.791 3.204 128 H ALA 17 H ALA 17 -0.703 40.232 5.355 129 HA ALA 17 HA ALA 17 1.077 38.239 6.707 130 HB1 ALA 17 HB1 ALA 17 1.165 39.768 8.663 131 HB2 ALA 17 HB2 ALA 17 1.894 40.560 7.254 132 HB3 ALA 17 HB3 ALA 17 0.250 40.991 7.799 133 H ASN 18 H ASN 18 0.119 37.636 8.827 134 HA ASN 18 HA ASN 18 -2.789 37.052 8.375 135 HB2 ASN 18 HB2 ASN 18 -0.385 35.434 9.105 136 HB3 ASN 18 HB3 ASN 18 -1.668 35.247 10.250 137 HD21 ASN 18 HD21 ASN 18 -1.996 35.737 6.712 138 HD22 ASN 18 HD22 ASN 18 -2.809 34.207 6.524 139 HA PRO 19 HA PRO 19 -3.721 39.213 12.033 140 HB2 PRO 19 HB3 PRO 19 -5.977 38.003 12.951 141 HB3 PRO 19 HB2 PRO 19 -5.928 38.812 11.359 142 HG2 PRO 19 HG3 PRO 19 -5.605 35.844 11.934 143 HG3 PRO 19 HG2 PRO 19 -6.674 36.640 10.730 144 HD2 PRO 19 HD3 PRO 19 -4.219 35.656 10.065 145 HD3 PRO 19 HD2 PRO 19 -4.871 37.137 9.304 146 H TYR 20 H TYR 20 -1.837 38.722 13.196 147 HA TYR 20 HA TYR 20 -0.331 37.877 14.587 148 HB2 TYR 20 HB2 TYR 20 -2.026 38.876 16.084 149 HB3 TYR 20 HB3 TYR 20 -2.821 37.317 16.227 150 HD1 TYR 20 HD2 TYR 20 0.521 38.967 16.742 151 HD2 TYR 20 HD1 TYR 20 -2.324 36.023 18.104 152 HE1 TYR 20 HE2 TYR 20 1.942 38.510 18.738 153 HE2 TYR 20 HE1 TYR 20 -0.902 35.576 20.100 154 HH TYR 20 HH TYR 20 2.169 37.303 20.669 155 H ASP 21 H ASP 21 -2.075 35.763 12.982 156 HA ASP 21 HA ASP 21 -1.337 33.260 14.045 157 HB2 ASP 21 HB2 ASP 21 -2.838 34.080 11.611 158 HB3 ASP 21 HB3 ASP 21 -2.306 32.426 11.818 159 H SER 22 H SER 22 0.924 34.214 14.163 160 HA SER 22 HA SER 22 2.691 33.734 11.831 161 HB2 SER 22 HB2 SER 22 3.235 35.466 13.499 162 HB3 SER 22 HB3 SER 22 3.231 34.253 14.794 163 HG SER 22 HG SER 22 5.293 34.378 14.289 164 H VAL 23 H VAL 23 1.845 32.024 14.894 165 HA VAL 23 HA VAL 23 3.576 29.768 14.363 166 HB VAL 23 HB VAL 23 2.377 28.641 16.204 167 HG11 VAL 23 HG11 VAL 23 3.284 30.038 17.979 168 HG12 VAL 23 HG12 VAL 23 4.392 29.966 16.606 169 HG13 VAL 23 HG13 VAL 23 3.402 31.423 16.876 170 HG21 VAL 23 HG21 VAL 23 0.816 29.877 17.615 171 HG22 VAL 23 HG22 VAL 23 0.833 31.256 16.515 172 HG23 VAL 23 HG23 VAL 23 0.151 29.700 15.994 173 H LEU 24 H LEU 24 0.318 30.620 13.400 174 HA LEU 24 HA LEU 24 -0.695 28.055 12.825 175 HB2 LEU 24 HB2 LEU 24 -1.975 30.248 12.852 176 HB3 LEU 24 HB3 LEU 24 -1.192 30.641 11.308 177 HG LEU 24 HG LEU 24 -2.268 28.630 10.280 178 HD11 LEU 24 HD11 LEU 24 -4.183 27.583 11.446 179 HD12 LEU 24 HD12 LEU 24 -2.663 27.252 12.278 180 HD13 LEU 24 HD13 LEU 24 -3.775 28.483 12.926 181 HD21 LEU 24 HD21 LEU 24 -4.521 29.608 10.137 182 HD22 LEU 24 HD22 LEU 24 -4.186 30.613 11.555 183 HD23 LEU 24 HD23 LEU 24 -3.280 30.861 10.056 184 H LYS 25 H LYS 25 1.594 30.086 11.045 185 HA LYS 25 HA LYS 25 1.444 28.643 8.526 186 HB2 LYS 25 HB2 LYS 25 3.260 30.714 9.774 187 HB3 LYS 25 HB3 LYS 25 3.879 29.808 8.390 188 HG2 LYS 25 HG2 LYS 25 2.348 30.646 6.906 189 HG3 LYS 25 HG3 LYS 25 1.130 31.025 8.139 190 HD2 LYS 25 HD2 LYS 25 2.255 32.992 8.849 191 HD3 LYS 25 HD3 LYS 25 3.777 32.500 8.134 192 HE2 LYS 25 HE2 LYS 25 3.128 34.042 6.564 193 HE3 LYS 25 HE3 LYS 25 2.493 32.569 5.837 194 HZ1 LYS 25 HZ1 LYS 25 0.840 34.365 5.842 195 HZ2 LYS 25 HZ2 LYS 25 0.306 33.137 6.791 196 HZ3 LYS 25 HZ3 LYS 25 0.909 34.482 7.483 197 H ILE 26 H ILE 26 3.896 28.487 11.177 198 HA ILE 26 HA ILE 26 5.314 26.289 9.945 199 HB ILE 26 HB ILE 26 6.523 27.632 11.508 200 HG12 ILE 26 HG12 ILE 26 6.041 24.865 12.696 201 HG13 ILE 26 HG13 ILE 26 7.123 25.254 11.362 202 HG21 ILE 26 HG21 ILE 26 6.018 27.859 13.886 203 HG22 ILE 26 HG22 ILE 26 4.654 28.418 12.938 204 HG23 ILE 26 HG23 ILE 26 4.590 26.829 13.720 205 HD11 ILE 26 HD11 ILE 26 8.429 24.971 13.354 206 HD12 ILE 26 HD12 ILE 26 8.443 26.702 12.964 207 HD13 ILE 26 HD13 ILE 26 7.416 26.082 14.276 208 H LYS 27 H LYS 27 2.661 26.476 12.334 209 HA LYS 27 HA LYS 27 2.622 23.663 12.838 210 HB2 LYS 27 HB2 LYS 27 1.630 25.662 14.223 211 HB3 LYS 27 HB3 LYS 27 0.227 25.484 13.166 212 HG2 LYS 27 HG2 LYS 27 0.694 22.845 14.018 213 HG3 LYS 27 HG3 LYS 27 1.271 23.803 15.390 214 HD2 LYS 27 HD2 LYS 27 -0.999 25.083 15.193 215 HD3 LYS 27 HD3 LYS 27 -1.510 23.745 14.157 216 HE2 LYS 27 HE2 LYS 27 -0.188 22.946 16.730 217 HE3 LYS 27 HE3 LYS 27 -1.653 23.900 16.948 218 HZ1 LYS 27 HZ1 LYS 27 -2.150 21.575 16.892 219 HZ2 LYS 27 HZ2 LYS 27 -2.844 22.311 15.591 220 HZ3 LYS 27 HZ3 LYS 27 -1.469 21.400 15.399 221 H GLU 28 H GLU 28 0.952 25.680 10.411 222 HA GLU 28 HA GLU 28 -0.847 23.702 9.407 223 HB2 GLU 28 HB2 GLU 28 0.323 26.273 8.329 224 HB3 GLU 28 HB3 GLU 28 -0.374 25.173 7.186 225 HG2 GLU 28 HG2 GLU 28 -1.944 26.024 9.630 226 HG3 GLU 28 HG3 GLU 28 -1.927 26.962 8.129 227 H HIS 29 H HIS 29 2.612 24.295 8.783 228 HA HIS 29 HA HIS 29 2.818 22.534 6.500 229 HB2 HIS 29 HB2 HIS 29 4.475 24.286 7.089 230 HB3 HIS 29 HB3 HIS 29 4.985 23.344 8.483 231 HD2 HIS 29 HD2 HIS 29 7.195 22.154 7.938 232 HE1 HIS 29 HE1 HIS 29 6.460 20.988 3.904 233 HE2 HIS 29 HE2 HIS 29 8.107 20.856 5.842 234 H VAL 30 H VAL 30 2.344 21.906 9.813 235 HA VAL 30 HA VAL 30 3.326 19.127 9.583 236 HB VAL 30 HB VAL 30 2.808 20.550 12.178 237 HG11 VAL 30 HG11 VAL 30 4.305 18.748 13.045 238 HG12 VAL 30 HG12 VAL 30 2.846 18.094 12.314 239 HG13 VAL 30 HG13 VAL 30 4.395 18.045 11.421 240 HG21 VAL 30 HG21 VAL 30 5.303 20.785 12.335 241 HG22 VAL 30 HG22 VAL 30 5.444 20.263 10.638 242 HG23 VAL 30 HG23 VAL 30 4.617 21.771 11.050 243 H ARG 31 H ARG 31 0.491 21.058 10.115 244 HA ARG 31 HA ARG 31 -1.186 18.914 11.210 245 HB2 ARG 31 HB2 ARG 31 -1.254 21.857 10.862 246 HB3 ARG 31 HB3 ARG 31 -2.723 21.219 10.292 247 HG2 ARG 31 HG2 ARG 31 -1.713 20.377 13.014 248 HG3 ARG 31 HG3 ARG 31 -2.525 21.922 12.746 249 HD2 ARG 31 HD2 ARG 31 -4.503 20.951 12.907 250 HD3 ARG 31 HD3 ARG 31 -4.186 20.088 11.404 251 HE ARG 31 HE ARG 31 -3.047 18.712 13.702 252 HH11 ARG 31 HH11 ARG 31 -6.036 19.194 11.946 253 HH12 ARG 31 HH12 ARG 31 -6.757 17.741 12.557 254 HH21 ARG 31 HH21 ARG 31 -4.044 16.853 14.507 255 HH22 ARG 31 HH22 ARG 31 -5.638 16.448 13.973 256 H SER 32 H SER 32 -1.161 17.390 9.684 257 HA SER 32 HA SER 32 -1.678 16.171 7.868 258 HB2 SER 32 HB2 SER 32 -3.958 17.432 8.451 259 HB3 SER 32 HB3 SER 32 -3.711 18.085 6.818 260 HG SER 32 HG SER 32 -4.836 16.113 6.720 261 H LYS 33 H LYS 33 0.320 18.454 7.629 262 HA LYS 33 HA LYS 33 0.628 18.398 4.660 263 HB2 LYS 33 HB2 LYS 33 1.280 20.447 6.704 264 HB3 LYS 33 HB3 LYS 33 2.328 20.318 5.295 265 HG2 LYS 33 HG2 LYS 33 0.770 22.126 5.066 266 HG3 LYS 33 HG3 LYS 33 0.582 20.973 3.784 267 HD2 LYS 33 HD2 LYS 33 -1.215 20.563 6.114 268 HD3 LYS 33 HD3 LYS 33 -1.461 22.083 5.291 269 HE2 LYS 33 HE2 LYS 33 -1.195 19.626 3.568 270 HE3 LYS 33 HE3 LYS 33 -2.648 19.728 4.559 271 HZ1 LYS 33 HZ1 LYS 33 -2.955 20.754 2.378 272 HZ2 LYS 33 HZ2 LYS 33 -3.155 21.861 3.583 273 HZ3 LYS 33 HZ3 LYS 33 -1.774 21.839 2.679 274 H THR 34 H THR 34 2.627 18.217 7.652 275 HA THR 34 HA THR 34 4.834 17.080 6.225 276 HB THR 34 HB THR 34 4.203 17.047 9.191 277 HG1 THR 34 HG1 THR 34 6.031 18.500 9.132 278 HG21 THR 34 HG21 THR 34 6.628 16.488 9.535 279 HG22 THR 34 HG22 THR 34 5.692 15.144 8.863 280 HG23 THR 34 HG23 THR 34 6.746 16.107 7.800 281 H LYS 35 H LYS 35 1.892 15.665 7.416 282 HA LYS 35 HA LYS 35 2.872 12.888 7.546 283 HB2 LYS 35 HB2 LYS 35 0.173 14.303 7.704 284 HB3 LYS 35 HB3 LYS 35 0.179 12.644 7.196 285 HG2 LYS 35 HG2 LYS 35 -0.192 12.332 9.370 286 HG3 LYS 35 HG3 LYS 35 1.558 12.105 9.327 287 HD2 LYS 35 HD2 LYS 35 0.316 14.812 9.971 288 HD3 LYS 35 HD3 LYS 35 0.435 13.546 11.202 289 HE2 LYS 35 HE2 LYS 35 2.805 13.472 11.093 290 HE3 LYS 35 HE3 LYS 35 2.872 14.476 9.647 291 HZ1 LYS 35 HZ1 LYS 35 3.345 15.721 11.701 292 HZ2 LYS 35 HZ2 LYS 35 2.011 16.334 10.937 293 HZ3 LYS 35 HZ3 LYS 35 1.843 15.375 12.277 294 H VAL 36 H VAL 36 1.155 14.868 5.035 295 HA VAL 36 HA VAL 36 1.362 12.535 3.210 296 HB VAL 36 HB VAL 36 -0.881 13.477 3.678 297 HG11 VAL 36 HG11 VAL 36 -1.657 15.556 2.814 298 HG12 VAL 36 HG12 VAL 36 -0.222 15.935 3.777 299 HG13 VAL 36 HG13 VAL 36 -0.120 15.896 2.009 300 HG21 VAL 36 HG21 VAL 36 -1.656 13.491 1.363 301 HG22 VAL 36 HG22 VAL 36 -0.006 13.741 0.784 302 HG23 VAL 36 HG23 VAL 36 -0.442 12.224 1.613 303 HA PRO 37 HA PRO 37 4.625 14.992 1.162 304 HB2 PRO 37 HB3 PRO 37 4.986 13.465 -1.075 305 HB3 PRO 37 HB2 PRO 37 5.577 12.925 0.535 306 HG2 PRO 37 HG3 PRO 37 2.972 12.173 -0.844 307 HG3 PRO 37 HG2 PRO 37 4.171 11.085 -0.109 308 HD2 PRO 37 HD3 PRO 37 1.947 11.875 1.228 309 HD3 PRO 37 HD2 PRO 37 3.511 11.712 2.088 310 H VAL 38 H VAL 38 4.314 16.591 -0.335 311 HA VAL 38 HA VAL 38 3.741 17.802 -2.008 312 HB VAL 38 HB VAL 38 2.148 15.446 -2.977 313 HG11 VAL 38 HG11 VAL 38 1.744 16.822 -5.016 314 HG12 VAL 38 HG12 VAL 38 0.799 17.308 -3.613 315 HG13 VAL 38 HG13 VAL 38 2.205 18.265 -4.082 316 HG21 VAL 38 HG21 VAL 38 3.792 15.598 -4.782 317 HG22 VAL 38 HG22 VAL 38 4.537 17.027 -4.049 318 HG23 VAL 38 HG23 VAL 38 4.631 15.452 -3.237 319 H GLN 39 H GLN 39 2.852 19.829 -1.448 320 HA GLN 39 HA GLN 39 0.330 19.480 0.175 321 HB2 GLN 39 HB2 GLN 39 1.967 22.006 -0.082 322 HB3 GLN 39 HB3 GLN 39 0.744 21.605 1.113 323 HG2 GLN 39 HG2 GLN 39 3.604 20.667 0.885 324 HG3 GLN 39 HG3 GLN 39 2.779 21.400 2.262 325 HE21 GLN 39 HE21 GLN 39 4.321 18.709 1.789 326 HE22 GLN 39 HE22 GLN 39 3.184 17.557 2.501 327 H ASP 40 H ASP 40 1.392 22.053 -2.043 328 HA ASP 40 HA ASP 40 -0.439 21.534 -4.097 329 HB2 ASP 40 HB2 ASP 40 -1.651 23.060 -1.896 330 HB3 ASP 40 HB3 ASP 40 -1.476 24.100 -3.284 331 H GLN 41 H GLN 41 1.202 24.056 -2.230 332 HA GLN 41 HA GLN 41 2.728 25.025 -4.554 333 HB2 GLN 41 HB2 GLN 41 0.301 26.164 -4.104 334 HB3 GLN 41 HB3 GLN 41 1.195 27.015 -2.874 335 HG2 GLN 41 HG2 GLN 41 2.877 27.403 -4.991 336 HG3 GLN 41 HG3 GLN 41 1.379 27.114 -5.867 337 HE21 GLN 41 HE21 GLN 41 1.114 29.245 -6.697 338 HE22 GLN 41 HE22 GLN 41 0.800 30.579 -5.614 339 H VAL 42 H VAL 42 4.756 24.878 -3.745 340 HA VAL 42 HA VAL 42 5.287 25.741 -0.924 341 HB VAL 42 HB VAL 42 6.932 24.051 -0.736 342 HG11 VAL 42 HG11 VAL 42 5.666 21.990 -0.705 343 HG12 VAL 42 HG12 VAL 42 4.646 23.332 -0.179 344 HG13 VAL 42 HG13 VAL 42 4.467 22.658 -1.820 345 HG21 VAL 42 HG21 VAL 42 7.472 22.281 -2.286 346 HG22 VAL 42 HG22 VAL 42 6.315 22.889 -3.469 347 HG23 VAL 42 HG23 VAL 42 7.786 23.812 -3.082 348 H LEU 43 H LEU 43 7.193 26.932 -0.603 349 HA LEU 43 HA LEU 43 8.403 28.046 -3.096 350 HB2 LEU 43 HB2 LEU 43 6.915 29.538 -1.604 351 HB3 LEU 43 HB3 LEU 43 8.103 29.388 -0.358 352 HG LEU 43 HG LEU 43 9.185 30.290 -2.994 353 HD11 LEU 43 HD11 LEU 43 8.414 32.609 -2.700 354 HD12 LEU 43 HD12 LEU 43 7.082 31.500 -3.012 355 HD13 LEU 43 HD13 LEU 43 7.355 32.040 -1.348 356 HD21 LEU 43 HD21 LEU 43 10.531 31.796 -1.750 357 HD22 LEU 43 HD22 LEU 43 9.519 31.622 -0.285 358 HD23 LEU 43 HD23 LEU 43 10.552 30.311 -0.830 359 H LEU 44 H LEU 44 10.649 28.728 -2.885 360 HA LEU 44 HA LEU 44 12.275 27.372 -0.826 361 HB2 LEU 44 HB2 LEU 44 12.519 27.050 -3.875 362 HB3 LEU 44 HB3 LEU 44 13.800 26.730 -2.747 363 HG LEU 44 HG LEU 44 12.147 25.064 -1.619 364 HD11 LEU 44 HD11 LEU 44 10.706 23.871 -3.253 365 HD12 LEU 44 HD12 LEU 44 10.137 25.515 -3.032 366 HD13 LEU 44 HD13 LEU 44 11.068 25.111 -4.484 367 HD21 LEU 44 HD21 LEU 44 13.005 23.249 -2.998 368 HD22 LEU 44 HD22 LEU 44 13.466 24.397 -4.275 369 HD23 LEU 44 HD23 LEU 44 14.269 24.431 -2.689 370 H LEU 45 H LEU 45 14.182 28.431 -0.448 371 HA LEU 45 HA LEU 45 15.048 30.746 -2.083 372 HB2 LEU 45 HB2 LEU 45 13.080 31.575 -0.658 373 HB3 LEU 45 HB3 LEU 45 14.030 31.238 0.769 374 HG LEU 45 HG LEU 45 15.723 32.730 -1.072 375 HD11 LEU 45 HD11 LEU 45 14.437 34.780 -1.338 376 HD12 LEU 45 HD12 LEU 45 13.651 33.426 -2.162 377 HD13 LEU 45 HD13 LEU 45 13.019 33.998 -0.596 378 HD21 LEU 45 HD21 LEU 45 15.749 34.426 0.693 379 HD22 LEU 45 HD22 LEU 45 14.366 33.641 1.508 380 HD23 LEU 45 HD23 LEU 45 15.940 32.812 1.380 381 H GLY 46 H GLY 46 17.087 30.140 -2.155 382 HA2 GLY 46 HA2 GLY 46 19.295 29.932 -1.516 383 HA3 GLY 46 HA3 GLY 46 18.845 30.406 0.130 384 H SER 47 H SER 47 18.211 27.660 -2.089 385 HA SER 47 HA SER 47 18.117 25.434 -1.816 386 HB2 SER 47 HB2 SER 47 20.367 25.741 0.171 387 HB3 SER 47 HB3 SER 47 19.993 24.338 -0.847 388 HG SER 47 HG SER 47 21.669 25.745 -1.679 389 H LYS 48 H LYS 48 16.554 27.054 0.296 390 HA LYS 48 HA LYS 48 15.977 24.755 2.130 391 HB2 LYS 48 HB2 LYS 48 15.872 26.215 3.931 392 HB3 LYS 48 HB3 LYS 48 17.112 26.988 2.986 393 HG2 LYS 48 HG2 LYS 48 15.909 28.880 3.363 394 HG3 LYS 48 HG3 LYS 48 14.944 28.325 2.015 395 HD2 LYS 48 HD2 LYS 48 13.170 28.470 3.337 396 HD3 LYS 48 HD3 LYS 48 13.749 27.029 4.163 397 HE2 LYS 48 HE2 LYS 48 14.308 29.893 4.966 398 HE3 LYS 48 HE3 LYS 48 13.158 28.780 5.729 399 HZ1 LYS 48 HZ1 LYS 48 15.247 28.822 6.957 400 HZ2 LYS 48 HZ2 LYS 48 15.027 27.334 6.298 401 HZ3 LYS 48 HZ3 LYS 48 16.089 28.377 5.618 402 H ILE 49 H ILE 49 13.660 24.909 3.006 403 HA ILE 49 HA ILE 49 11.802 25.655 0.798 404 HB ILE 49 HB ILE 49 11.997 23.250 1.467 405 HG12 ILE 49 HG12 ILE 49 9.360 23.033 1.983 406 HG13 ILE 49 HG13 ILE 49 9.367 24.736 1.542 407 HG21 ILE 49 HG21 ILE 49 11.077 22.340 3.462 408 HG22 ILE 49 HG22 ILE 49 12.320 23.508 3.930 409 HG23 ILE 49 HG23 ILE 49 10.591 23.922 4.068 410 HD11 ILE 49 HD11 ILE 49 8.925 23.207 -0.376 411 HD12 ILE 49 HD12 ILE 49 10.388 24.166 -0.630 412 HD13 ILE 49 HD13 ILE 49 10.499 22.449 -0.151 413 H LEU 50 H LEU 50 10.474 27.272 1.110 414 HA LEU 50 HA LEU 50 10.116 28.406 3.859 415 HB2 LEU 50 HB2 LEU 50 10.960 29.747 1.569 416 HB3 LEU 50 HB3 LEU 50 9.230 29.956 1.462 417 HG LEU 50 HG LEU 50 9.235 30.929 3.790 418 HD11 LEU 50 HD11 LEU 50 11.417 31.808 4.623 419 HD12 LEU 50 HD12 LEU 50 11.346 30.038 4.638 420 HD13 LEU 50 HD13 LEU 50 12.249 30.881 3.352 421 HD21 LEU 50 HD21 LEU 50 10.177 33.127 3.089 422 HD22 LEU 50 HD22 LEU 50 10.922 32.338 1.676 423 HD23 LEU 50 HD23 LEU 50 9.148 32.401 1.854 424 H LYS 51 H LYS 51 8.412 27.561 4.662 425 HA LYS 51 HA LYS 51 5.992 26.835 3.226 426 HB2 LYS 51 HB2 LYS 51 6.322 25.514 5.202 427 HB3 LYS 51 HB3 LYS 51 6.890 26.873 6.142 428 HG2 LYS 51 HG2 LYS 51 4.751 26.321 7.003 429 HG3 LYS 51 HG3 LYS 51 4.553 27.829 6.203 430 HD2 LYS 51 HD2 LYS 51 3.739 26.537 4.116 431 HD3 LYS 51 HD3 LYS 51 3.726 25.091 5.124 432 HE2 LYS 51 HE2 LYS 51 1.724 25.645 5.990 433 HE3 LYS 51 HE3 LYS 51 2.379 27.159 6.598 434 HZ1 LYS 51 HZ1 LYS 51 0.544 27.548 5.075 435 HZ2 LYS 51 HZ2 LYS 51 1.942 28.140 4.397 436 HZ3 LYS 51 HZ3 LYS 51 1.306 26.742 3.873 437 HA PRO 52 HA PRO 52 4.334 30.836 5.125 438 HB2 PRO 52 HB3 PRO 52 5.806 32.686 6.455 439 HB3 PRO 52 HB2 PRO 52 5.263 31.153 7.227 440 HG2 PRO 52 HG3 PRO 52 7.960 31.677 5.940 441 HG3 PRO 52 HG2 PRO 52 7.612 31.077 7.608 442 HD2 PRO 52 HD3 PRO 52 8.124 29.389 5.597 443 HD3 PRO 52 HD2 PRO 52 6.870 28.999 6.810 444 H ARG 53 H ARG 53 4.160 33.020 4.462 445 HA ARG 53 HA ARG 53 5.837 34.000 2.287 446 HB2 ARG 53 HB2 ARG 53 3.256 32.662 1.949 447 HB3 ARG 53 HB3 ARG 53 3.289 34.231 1.176 448 HG2 ARG 53 HG2 ARG 53 5.609 32.325 0.711 449 HG3 ARG 53 HG3 ARG 53 4.069 32.106 -0.096 450 HD2 ARG 53 HD2 ARG 53 4.977 33.397 -1.681 451 HD3 ARG 53 HD3 ARG 53 4.358 34.714 -0.709 452 HE ARG 53 HE ARG 53 7.136 33.874 -1.170 453 HH11 ARG 53 HH11 ARG 53 5.144 36.033 0.725 454 HH12 ARG 53 HH12 ARG 53 6.501 37.018 1.197 455 HH21 ARG 53 HH21 ARG 53 8.806 35.156 -0.571 456 HH22 ARG 53 HH22 ARG 53 8.554 36.508 0.486 457 H ARG 54 H ARG 54 6.153 35.276 4.462 458 HA ARG 54 HA ARG 54 4.969 37.899 3.994 459 HB2 ARG 54 HB2 ARG 54 3.864 38.233 6.096 460 HB3 ARG 54 HB3 ARG 54 3.202 36.802 5.328 461 HG2 ARG 54 HG2 ARG 54 3.342 35.916 7.362 462 HG3 ARG 54 HG3 ARG 54 5.004 35.553 6.900 463 HD2 ARG 54 HD2 ARG 54 5.714 37.692 8.077 464 HD3 ARG 54 HD3 ARG 54 4.021 37.957 8.505 465 HE ARG 54 HE ARG 54 4.200 36.378 10.185 466 HH11 ARG 54 HH11 ARG 54 7.045 36.075 8.177 467 HH12 ARG 54 HH12 ARG 54 7.781 34.904 9.220 468 HH21 ARG 54 HH21 ARG 54 5.185 34.792 11.495 469 HH22 ARG 54 HH22 ARG 54 6.717 34.183 11.039 470 H SER 55 H SER 55 5.792 39.489 5.778 471 HA SER 55 HA SER 55 8.289 38.562 7.151 472 HB2 SER 55 HB2 SER 55 8.832 39.553 4.834 473 HB3 SER 55 HB3 SER 55 8.176 41.081 5.417 474 HG SER 55 HG SER 55 10.412 41.011 5.691 475 H LEU 56 H LEU 56 9.000 41.128 8.068 476 HA LEU 56 HA LEU 56 6.774 41.675 9.931 477 HB2 LEU 56 HB2 LEU 56 9.618 42.603 10.337 478 HB3 LEU 56 HB3 LEU 56 8.368 42.294 11.522 479 HG LEU 56 HG LEU 56 9.931 40.220 9.962 480 HD11 LEU 56 HD11 LEU 56 10.948 39.682 12.120 481 HD12 LEU 56 HD12 LEU 56 11.180 41.395 11.753 482 HD13 LEU 56 HD13 LEU 56 9.946 40.916 12.926 483 HD21 LEU 56 HD21 LEU 56 8.898 38.516 11.409 484 HD22 LEU 56 HD22 LEU 56 7.833 39.754 12.111 485 HD23 LEU 56 HD23 LEU 56 7.676 39.322 10.407 486 H SER 57 H SER 57 9.019 43.390 8.051 487 HA SER 57 HA SER 57 9.829 45.472 7.780 488 HB2 SER 57 HB2 SER 57 6.863 45.469 6.967 489 HB3 SER 57 HB3 SER 57 7.973 46.698 6.425 490 HG SER 57 HG SER 57 7.594 44.935 4.977 491 H SER 58 H SER 58 8.353 48.023 7.773 492 HA SER 58 HA SER 58 7.991 49.701 9.171 493 HB2 SER 58 HB2 SER 58 5.792 48.481 9.182 494 HB3 SER 58 HB3 SER 58 6.190 47.986 10.850 495 HG SER 58 HG SER 58 5.006 49.928 10.808 496 H TYR 59 H TYR 59 10.189 47.684 10.089 497 HA TYR 59 HA TYR 59 10.270 48.130 12.981 498 HB2 TYR 59 HB2 TYR 59 10.858 45.947 11.867 499 HB3 TYR 59 HB3 TYR 59 12.182 46.745 11.029 500 HD1 TYR 59 HD1 TYR 59 10.996 46.614 14.607 501 HD2 TYR 59 HD2 TYR 59 14.303 46.134 11.873 502 HE1 TYR 59 HE1 TYR 59 12.523 46.146 16.520 503 HE2 TYR 59 HE2 TYR 59 15.808 45.647 13.784 504 HH TYR 59 HH TYR 59 15.987 45.464 16.067 505 H GLY 60 H GLY 60 11.454 49.820 10.270 506 HA2 GLY 60 HA2 GLY 60 12.390 52.037 11.243 507 HA3 GLY 60 HA3 GLY 60 13.805 51.041 11.633 508 H ILE 61 H ILE 61 12.655 49.737 8.842 509 HA ILE 61 HA ILE 61 14.070 51.578 6.991 510 HB ILE 61 HB ILE 61 14.548 49.281 5.797 511 HG12 ILE 61 HG12 ILE 61 15.140 47.376 7.135 512 HG13 ILE 61 HG13 ILE 61 14.510 48.111 8.594 513 HG21 ILE 61 HG21 ILE 61 16.721 49.113 6.856 514 HG22 ILE 61 HG22 ILE 61 16.242 50.796 6.623 515 HG23 ILE 61 HG23 ILE 61 16.134 50.068 8.243 516 HD11 ILE 61 HD11 ILE 61 13.060 46.332 7.588 517 HD12 ILE 61 HD12 ILE 61 12.228 47.876 7.780 518 HD13 ILE 61 HD13 ILE 61 12.815 47.367 6.162 519 H ASP 62 H ASP 62 13.398 51.394 4.859 520 HA ASP 62 HA ASP 62 10.534 50.737 4.448 521 HB2 ASP 62 HB2 ASP 62 12.278 53.067 3.822 522 HB3 ASP 62 HB3 ASP 62 11.536 52.417 2.376 523 H LYS 63 H LYS 63 10.086 50.309 2.124 524 HA LYS 63 HA LYS 63 12.159 48.839 0.590 525 HB2 LYS 63 HB2 LYS 63 9.891 47.405 2.045 526 HB3 LYS 63 HB3 LYS 63 10.347 46.870 0.428 527 HG2 LYS 63 HG2 LYS 63 12.668 46.527 1.112 528 HG3 LYS 63 HG3 LYS 63 12.248 47.010 2.769 529 HD2 LYS 63 HD2 LYS 63 10.557 45.152 2.818 530 HD3 LYS 63 HD3 LYS 63 11.159 44.601 1.251 531 HE2 LYS 63 HE2 LYS 63 12.833 44.923 3.792 532 HE3 LYS 63 HE3 LYS 63 12.112 43.389 3.259 533 HZ1 LYS 63 HZ1 LYS 63 14.440 43.610 2.573 534 HZ2 LYS 63 HZ2 LYS 63 13.468 43.505 1.255 535 HZ3 LYS 63 HZ3 LYS 63 14.099 44.954 1.719 536 H GLU 64 H GLU 64 8.755 49.635 0.789 537 HA GLU 64 HA GLU 64 7.135 49.085 -0.681 538 HB2 GLU 64 HB2 GLU 64 6.751 51.287 -1.798 539 HB3 GLU 64 HB3 GLU 64 7.261 51.459 -0.127 540 HG2 GLU 64 HG2 GLU 64 9.492 52.192 -0.748 541 HG3 GLU 64 HG3 GLU 64 9.272 51.730 -2.417 542 H LYS 65 H LYS 65 9.070 47.568 -1.804 543 HA LYS 65 HA LYS 65 9.062 47.992 -4.751 544 HB2 LYS 65 HB2 LYS 65 11.304 47.479 -2.764 545 HB3 LYS 65 HB3 LYS 65 11.421 46.632 -4.269 546 HG2 LYS 65 HG2 LYS 65 11.462 48.575 -5.585 547 HG3 LYS 65 HG3 LYS 65 10.842 49.594 -4.279 548 HD2 LYS 65 HD2 LYS 65 13.177 50.087 -4.638 549 HD3 LYS 65 HD3 LYS 65 12.941 49.384 -3.045 550 HE2 LYS 65 HE2 LYS 65 13.489 47.188 -4.794 551 HE3 LYS 65 HE3 LYS 65 14.579 48.477 -5.316 552 HZ1 LYS 65 HZ1 LYS 65 15.618 47.188 -3.584 553 HZ2 LYS 65 HZ2 LYS 65 15.290 48.696 -2.989 554 HZ3 LYS 65 HZ3 LYS 65 14.337 47.435 -2.558 555 H THR 66 H THR 66 9.542 46.035 -5.938 556 HA THR 66 HA THR 66 7.965 43.759 -4.919 557 HB THR 66 HB THR 66 7.969 43.036 -7.251 558 HG1 THR 66 HG1 THR 66 9.147 44.058 -8.815 559 HG21 THR 66 HG21 THR 66 6.808 44.784 -8.389 560 HG22 THR 66 HG22 THR 66 6.424 44.974 -6.665 561 HG23 THR 66 HG23 THR 66 7.604 46.046 -7.446 562 H ILE 67 H ILE 67 8.852 41.573 -5.533 563 HA ILE 67 HA ILE 67 11.793 41.261 -5.280 564 HB ILE 67 HB ILE 67 10.732 39.399 -3.477 565 HG12 ILE 67 HG12 ILE 67 8.587 40.715 -3.265 566 HG13 ILE 67 HG13 ILE 67 9.439 40.190 -1.808 567 HG21 ILE 67 HG21 ILE 67 12.014 40.535 -1.754 568 HG22 ILE 67 HG22 ILE 67 12.880 40.435 -3.284 569 HG23 ILE 67 HG23 ILE 67 12.140 41.968 -2.806 570 HD11 ILE 67 HD11 ILE 67 8.436 42.555 -1.799 571 HD12 ILE 67 HD12 ILE 67 10.095 42.345 -1.195 572 HD13 ILE 67 HD13 ILE 67 9.820 43.005 -2.812 573 H HIS 68 H HIS 68 12.396 39.163 -5.810 574 HA HIS 68 HA HIS 68 10.407 37.493 -7.270 575 HB2 HIS 68 HB2 HIS 68 11.730 39.127 -8.731 576 HB3 HIS 68 HB3 HIS 68 13.194 38.297 -8.244 577 HD2 HIS 68 HD2 HIS 68 13.893 36.353 -9.868 578 HE1 HIS 68 HE1 HIS 68 10.103 35.611 -11.683 579 HE2 HIS 68 HE2 HIS 68 12.581 35.001 -11.717 580 H LEU 69 H LEU 69 10.584 35.511 -6.713 581 HA LEU 69 HA LEU 69 12.952 34.338 -5.324 582 HB2 LEU 69 HB2 LEU 69 10.151 33.734 -4.336 583 HB3 LEU 69 HB3 LEU 69 11.659 33.674 -3.498 584 HG LEU 69 HG LEU 69 11.265 36.438 -3.851 585 HD11 LEU 69 HD11 LEU 69 9.001 36.852 -3.026 586 HD12 LEU 69 HD12 LEU 69 8.952 36.041 -4.571 587 HD13 LEU 69 HD13 LEU 69 8.616 35.105 -3.111 588 HD21 LEU 69 HD21 LEU 69 10.589 36.430 -1.429 589 HD22 LEU 69 HD22 LEU 69 10.652 34.638 -1.486 590 HD23 LEU 69 HD23 LEU 69 12.090 35.630 -1.811 591 H THR 70 H THR 70 12.327 31.820 -5.051 592 HA THR 70 HA THR 70 11.157 30.892 -7.644 593 HB THR 70 HB THR 70 12.727 29.025 -7.485 594 HG1 THR 70 HG1 THR 70 14.460 29.121 -5.997 595 HG21 THR 70 HG21 THR 70 14.841 30.069 -7.986 596 HG22 THR 70 HG22 THR 70 13.546 31.001 -8.720 597 HG23 THR 70 HG23 THR 70 14.323 31.589 -7.232 598 H LEU 71 H LEU 71 9.516 29.520 -7.481 599 HA LEU 71 HA LEU 71 9.004 27.905 -5.055 600 HB2 LEU 71 HB2 LEU 71 7.681 29.694 -4.408 601 HB3 LEU 71 HB3 LEU 71 7.412 30.293 -6.005 602 HG LEU 71 HG LEU 71 5.992 27.737 -5.223 603 HD11 LEU 71 HD11 LEU 71 4.166 29.033 -4.209 604 HD12 LEU 71 HD12 LEU 71 5.619 29.021 -3.253 605 HD13 LEU 71 HD13 LEU 71 5.178 30.471 -4.211 606 HD21 LEU 71 HD21 LEU 71 4.186 28.721 -6.571 607 HD22 LEU 71 HD22 LEU 71 5.144 30.177 -6.806 608 HD23 LEU 71 HD23 LEU 71 5.688 28.655 -7.507 609 H LYS 72 H LYS 72 7.641 26.179 -5.513 610 HA LYS 72 HA LYS 72 7.100 25.538 -8.379 611 HB2 LYS 72 HB2 LYS 72 8.928 24.068 -6.390 612 HB3 LYS 72 HB3 LYS 72 8.052 23.156 -7.601 613 HG2 LYS 72 HG2 LYS 72 9.779 25.502 -8.428 614 HG3 LYS 72 HG3 LYS 72 10.479 23.911 -8.148 615 HD2 LYS 72 HD2 LYS 72 8.053 23.894 -9.899 616 HD3 LYS 72 HD3 LYS 72 9.429 24.756 -10.562 617 HE2 LYS 72 HE2 LYS 72 9.853 22.001 -9.425 618 HE3 LYS 72 HE3 LYS 72 9.131 22.205 -11.031 619 HZ1 LYS 72 HZ1 LYS 72 11.539 22.030 -11.160 620 HZ2 LYS 72 HZ2 LYS 72 11.003 23.482 -11.712 621 HZ3 LYS 72 HZ3 LYS 72 11.715 23.372 -10.215 622 H VAL 73 H VAL 73 5.185 24.664 -8.523 623 HA VAL 73 HA VAL 73 3.718 23.880 -6.070 624 HB VAL 73 HB VAL 73 2.066 25.170 -6.679 625 HG11 VAL 73 HG11 VAL 73 2.161 26.919 -8.317 626 HG12 VAL 73 HG12 VAL 73 3.729 26.768 -7.527 627 HG13 VAL 73 HG13 VAL 73 3.491 26.126 -9.171 628 HG21 VAL 73 HG21 VAL 73 0.706 25.074 -8.673 629 HG22 VAL 73 HG22 VAL 73 1.940 24.114 -9.508 630 HG23 VAL 73 HG23 VAL 73 1.075 23.456 -8.095 631 H VAL 74 H VAL 74 2.817 22.045 -5.980 632 HA VAL 74 HA VAL 74 2.742 20.121 -8.194 633 HB VAL 74 HB VAL 74 3.865 18.378 -6.778 634 HG11 VAL 74 HG11 VAL 74 6.096 18.924 -7.503 635 HG12 VAL 74 HG12 VAL 74 4.961 19.512 -8.726 636 HG13 VAL 74 HG13 VAL 74 5.720 20.650 -7.598 637 HG21 VAL 74 HG21 VAL 74 5.514 19.032 -5.093 638 HG22 VAL 74 HG22 VAL 74 5.051 20.743 -5.234 639 HG23 VAL 74 HG23 VAL 74 3.915 19.552 -4.573 640 H LYS 75 H LYS 75 1.170 18.615 -7.939 641 HA LYS 75 HA LYS 75 -0.325 18.133 -5.511 642 HB2 LYS 75 HB2 LYS 75 -1.518 20.096 -6.024 643 HB3 LYS 75 HB3 LYS 75 -1.366 19.845 -7.764 644 HG2 LYS 75 HG2 LYS 75 -2.960 17.963 -7.670 645 HG3 LYS 75 HG3 LYS 75 -3.028 18.091 -5.907 646 HD2 LYS 75 HD2 LYS 75 -4.986 19.103 -6.582 647 HD3 LYS 75 HD3 LYS 75 -3.953 20.493 -6.303 648 HE2 LYS 75 HE2 LYS 75 -4.437 19.176 -9.021 649 HE3 LYS 75 HE3 LYS 75 -5.393 20.523 -8.400 650 HZ1 LYS 75 HZ1 LYS 75 -3.619 21.301 -9.841 651 HZ2 LYS 75 HZ2 LYS 75 -3.359 21.835 -8.289 652 HZ3 LYS 75 HZ3 LYS 75 -2.483 20.589 -8.872 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 2.442 45.907 0.092 2 H2 LEU 1 H2 LEU 1 3.493 44.898 0.831 3 H3 LEU 1 H3 LEU 1 3.775 46.533 0.854 4 HA LEU 1 HA LEU 1 4.059 46.591 -1.509 5 HB2 LEU 1 HB2 LEU 1 5.932 44.404 -0.589 6 HB3 LEU 1 HB3 LEU 1 6.227 45.798 -1.608 7 HG LEU 1 HG LEU 1 5.808 45.856 1.422 8 HD11 LEU 1 HD11 LEU 1 8.186 46.377 1.551 9 HD12 LEU 1 HD12 LEU 1 7.967 44.840 0.710 10 HD13 LEU 1 HD13 LEU 1 8.341 46.312 -0.197 11 HD21 LEU 1 HD21 LEU 1 6.560 48.223 1.265 12 HD22 LEU 1 HD22 LEU 1 6.584 48.070 -0.497 13 HD23 LEU 1 HD23 LEU 1 5.048 47.992 0.382 14 H CYS 2 H CYS 2 5.226 44.392 -3.029 15 HA CYS 2 HA CYS 2 3.189 42.232 -2.964 16 HB2 CYS 2 HB2 CYS 2 2.974 42.241 -5.411 17 HB3 CYS 2 HB3 CYS 2 2.355 43.736 -4.693 18 HG CYS 2 HG CYS 2 3.448 44.397 -6.908 19 H VAL 3 H VAL 3 3.892 40.276 -3.804 20 HA VAL 3 HA VAL 3 6.819 39.991 -4.249 21 HB VAL 3 HB VAL 3 5.990 37.537 -3.174 22 HG11 VAL 3 HG11 VAL 3 7.505 38.108 -1.377 23 HG12 VAL 3 HG12 VAL 3 8.149 38.701 -2.925 24 HG13 VAL 3 HG13 VAL 3 7.391 39.825 -1.774 25 HG21 VAL 3 HG21 VAL 3 5.099 37.942 -0.953 26 HG22 VAL 3 HG22 VAL 3 5.033 39.687 -1.248 27 HG23 VAL 3 HG23 VAL 3 3.973 38.587 -2.137 28 H HIS 4 H HIS 4 7.452 38.372 -5.598 29 HA HIS 4 HA HIS 4 5.393 37.392 -7.543 30 HB2 HIS 4 HB2 HIS 4 8.286 38.170 -8.139 31 HB3 HIS 4 HB3 HIS 4 6.999 37.828 -9.297 32 HD2 HIS 4 HD2 HIS 4 4.798 39.910 -8.065 33 HE1 HIS 4 HE1 HIS 4 7.771 42.850 -8.898 34 HE2 HIS 4 HE2 HIS 4 5.299 42.464 -8.398 35 H VAL 5 H VAL 5 5.743 35.323 -8.354 36 HA VAL 5 HA VAL 5 7.970 33.746 -7.159 37 HB VAL 5 HB VAL 5 6.221 31.851 -7.183 38 HG11 VAL 5 HG11 VAL 5 5.629 32.389 -4.813 39 HG12 VAL 5 HG12 VAL 5 7.345 32.648 -5.185 40 HG13 VAL 5 HG13 VAL 5 6.229 34.030 -5.072 41 HG21 VAL 5 HG21 VAL 5 3.937 32.382 -6.669 42 HG22 VAL 5 HG22 VAL 5 4.256 34.127 -6.804 43 HG23 VAL 5 HG23 VAL 5 4.373 33.079 -8.232 44 H ARG 6 H ARG 6 9.008 32.477 -8.413 45 HA ARG 6 HA ARG 6 8.657 32.544 -11.333 46 HB2 ARG 6 HB2 ARG 6 10.568 31.017 -9.506 47 HB3 ARG 6 HB3 ARG 6 10.756 31.100 -11.231 48 HG2 ARG 6 HG2 ARG 6 10.804 33.653 -9.575 49 HG3 ARG 6 HG3 ARG 6 12.206 32.606 -9.677 50 HD2 ARG 6 HD2 ARG 6 11.344 32.940 -12.378 51 HD3 ARG 6 HD3 ARG 6 11.216 34.526 -11.626 52 HE ARG 6 HE ARG 6 13.496 34.658 -11.484 53 HH11 ARG 6 HH11 ARG 6 12.714 31.290 -12.097 54 HH12 ARG 6 HH12 ARG 6 14.361 30.819 -12.318 55 HH21 ARG 6 HH21 ARG 6 15.642 34.008 -11.773 56 HH22 ARG 6 HH22 ARG 6 16.018 32.364 -12.139 57 H SER 7 H SER 7 9.021 30.327 -12.435 58 HA SER 7 HA SER 7 8.218 28.379 -13.085 59 HB2 SER 7 HB2 SER 7 9.032 27.699 -10.719 60 HB3 SER 7 HB3 SER 7 7.279 27.551 -10.387 61 HG SER 7 HG SER 7 8.160 25.620 -11.122 62 H GLU 8 H GLU 8 6.039 26.890 -12.798 63 HA GLU 8 HA GLU 8 3.846 28.613 -13.660 64 HB2 GLU 8 HB2 GLU 8 4.242 25.619 -13.178 65 HB3 GLU 8 HB3 GLU 8 2.655 26.285 -13.574 66 HG2 GLU 8 HG2 GLU 8 3.399 27.122 -15.687 67 HG3 GLU 8 HG3 GLU 8 5.104 26.883 -15.284 68 H GLU 9 H GLU 9 3.060 29.864 -12.139 69 HA GLU 9 HA GLU 9 2.108 28.756 -9.544 70 HB2 GLU 9 HB2 GLU 9 2.174 31.077 -8.730 71 HB3 GLU 9 HB3 GLU 9 3.747 30.501 -9.233 72 HG2 GLU 9 HG2 GLU 9 4.006 32.348 -10.429 73 HG3 GLU 9 HG3 GLU 9 2.794 31.784 -11.557 74 H TRP 10 H TRP 10 -0.021 29.004 -9.038 75 HA TRP 10 HA TRP 10 -1.880 29.654 -11.242 76 HB2 TRP 10 HB2 TRP 10 -2.369 28.416 -8.486 77 HB3 TRP 10 HB3 TRP 10 -3.542 28.582 -9.776 78 HD1 TRP 10 HD1 TRP 10 -0.737 26.393 -8.582 79 HE1 TRP 10 HE1 TRP 10 -0.541 24.303 -10.037 80 HE3 TRP 10 HE3 TRP 10 -3.910 27.755 -12.365 81 HZ2 TRP 10 HZ2 TRP 10 -1.614 23.340 -12.546 82 HZ3 TRP 10 HZ3 TRP 10 -4.311 26.222 -14.271 83 HH2 TRP 10 HH2 TRP 10 -3.173 24.020 -14.372 84 H ASP 11 H ASP 11 -0.755 30.941 -8.169 85 HA ASP 11 HA ASP 11 -2.573 33.250 -8.406 86 HB2 ASP 11 HB2 ASP 11 -3.522 31.542 -6.756 87 HB3 ASP 11 HB3 ASP 11 -2.063 31.733 -5.795 88 H LEU 12 H LEU 12 -1.688 35.124 -7.524 89 HA LEU 12 HA LEU 12 1.261 35.143 -7.395 90 HB2 LEU 12 HB2 LEU 12 -0.761 37.456 -7.487 91 HB3 LEU 12 HB3 LEU 12 0.993 37.600 -7.479 92 HG LEU 12 HG LEU 12 0.848 36.034 -9.628 93 HD11 LEU 12 HD11 LEU 12 -1.104 36.588 -11.046 94 HD12 LEU 12 HD12 LEU 12 -1.600 35.683 -9.627 95 HD13 LEU 12 HD13 LEU 12 -1.864 37.440 -9.677 96 HD21 LEU 12 HD21 LEU 12 0.836 38.059 -11.020 97 HD22 LEU 12 HD22 LEU 12 0.189 39.009 -9.658 98 HD23 LEU 12 HD23 LEU 12 1.803 38.275 -9.571 99 H MET 13 H MET 13 2.396 36.084 -5.695 100 HA MET 13 HA MET 13 1.129 35.812 -3.030 101 HB2 MET 13 HB2 MET 13 3.997 36.553 -3.827 102 HB3 MET 13 HB3 MET 13 3.445 36.128 -2.205 103 HG2 MET 13 HG2 MET 13 3.592 34.319 -4.639 104 HG3 MET 13 HG3 MET 13 4.635 34.284 -3.231 105 HE1 MET 13 HE1 MET 13 1.011 31.783 -3.932 106 HE2 MET 13 HE2 MET 13 1.174 33.358 -4.743 107 HE3 MET 13 HE3 MET 13 2.455 32.144 -4.910 108 H THR 14 H THR 14 1.252 37.535 -1.460 109 HA THR 14 HA THR 14 1.726 40.296 -2.471 110 HB THR 14 HB THR 14 -0.703 39.875 -2.520 111 HG1 THR 14 HG1 THR 14 -1.160 41.722 -1.224 112 HG21 THR 14 HG21 THR 14 -2.012 39.671 -0.476 113 HG22 THR 14 HG22 THR 14 -0.926 38.290 -0.611 114 HG23 THR 14 HG23 THR 14 -0.549 39.601 0.522 115 H PHE 15 H PHE 15 2.595 41.714 -0.964 116 HA PHE 15 HA PHE 15 3.957 40.313 1.290 117 HB2 PHE 15 HB2 PHE 15 5.184 41.796 -0.444 118 HB3 PHE 15 HB3 PHE 15 4.411 43.155 0.339 119 HD1 PHE 15 HD1 PHE 15 6.856 40.421 0.738 120 HD2 PHE 15 HD2 PHE 15 5.076 43.879 2.604 121 HE1 PHE 15 HE1 PHE 15 8.683 40.467 2.408 122 HE2 PHE 15 HE2 PHE 15 6.892 43.905 4.294 123 HZ PHE 15 HZ PHE 15 8.723 42.239 4.167 124 H ASP 16 H ASP 16 2.443 40.149 2.799 125 HA ASP 16 HA ASP 16 1.446 42.576 4.155 126 HB2 ASP 16 HB2 ASP 16 -0.160 41.025 2.397 127 HB3 ASP 16 HB3 ASP 16 -0.614 40.468 4.000 128 H ALA 17 H ALA 17 0.286 41.868 6.209 129 HA ALA 17 HA ALA 17 1.676 39.557 7.514 130 HB1 ALA 17 HB1 ALA 17 1.931 40.951 9.535 131 HB2 ALA 17 HB2 ALA 17 2.782 41.688 8.164 132 HB3 ALA 17 HB3 ALA 17 1.231 42.344 8.699 133 H ASN 18 H ASN 18 0.513 38.514 9.044 134 HA ASN 18 HA ASN 18 -2.440 38.686 8.857 135 HB2 ASN 18 HB2 ASN 18 -0.387 36.674 9.863 136 HB3 ASN 18 HB3 ASN 18 -2.025 36.541 10.408 137 HD21 ASN 18 HD21 ASN 18 -0.485 37.173 7.164 138 HD22 ASN 18 HD22 ASN 18 -1.478 36.001 6.356 139 HA PRO 19 HA PRO 19 -2.920 40.505 12.883 140 HB2 PRO 19 HB3 PRO 19 -5.342 39.585 13.700 141 HB3 PRO 19 HB2 PRO 19 -5.162 40.557 12.213 142 HG2 PRO 19 HG3 PRO 19 -5.260 37.516 12.422 143 HG3 PRO 19 HG2 PRO 19 -6.271 38.587 11.384 144 HD2 PRO 19 HD3 PRO 19 -4.019 37.411 10.443 145 HD3 PRO 19 HD2 PRO 19 -4.452 39.075 9.957 146 H TYR 20 H TYR 20 -0.982 39.299 13.583 147 HA TYR 20 HA TYR 20 0.308 38.089 14.947 148 HB2 TYR 20 HB2 TYR 20 -1.031 39.350 16.594 149 HB3 TYR 20 HB3 TYR 20 -2.162 38.021 16.711 150 HD1 TYR 20 HD1 TYR 20 1.465 38.873 17.196 151 HD2 TYR 20 HD2 TYR 20 -1.829 36.337 18.334 152 HE1 TYR 20 HE1 TYR 20 2.837 37.907 19.034 153 HE2 TYR 20 HE2 TYR 20 -0.476 35.382 20.172 154 HH TYR 20 HH TYR 20 1.557 35.400 21.247 155 H ASP 21 H ASP 21 -1.897 36.561 13.163 156 HA ASP 21 HA ASP 21 -1.659 33.895 14.204 157 HB2 ASP 21 HB2 ASP 21 -2.842 34.775 11.590 158 HB3 ASP 21 HB3 ASP 21 -2.924 33.150 12.272 159 H SER 22 H SER 22 0.859 34.887 13.951 160 HA SER 22 HA SER 22 2.242 33.863 11.597 161 HB2 SER 22 HB2 SER 22 4.256 34.249 12.905 162 HB3 SER 22 HB3 SER 22 3.169 35.640 13.079 163 HG SER 22 HG SER 22 4.071 34.911 15.097 164 H VAL 23 H VAL 23 0.777 32.334 14.344 165 HA VAL 23 HA VAL 23 2.427 29.989 14.466 166 HB VAL 23 HB VAL 23 0.785 30.765 16.230 167 HG11 VAL 23 HG11 VAL 23 -1.537 30.052 16.102 168 HG12 VAL 23 HG12 VAL 23 -1.199 31.120 14.730 169 HG13 VAL 23 HG13 VAL 23 -1.309 29.364 14.490 170 HG21 VAL 23 HG21 VAL 23 0.269 28.487 16.965 171 HG22 VAL 23 HG22 VAL 23 0.549 27.848 15.336 172 HG23 VAL 23 HG23 VAL 23 1.889 28.542 16.269 173 H LEU 24 H LEU 24 -0.104 31.053 12.228 174 HA LEU 24 HA LEU 24 -0.807 28.517 11.165 175 HB2 LEU 24 HB2 LEU 24 -1.994 30.745 10.834 176 HB3 LEU 24 HB3 LEU 24 -0.705 31.180 9.722 177 HG LEU 24 HG LEU 24 -1.359 29.147 8.305 178 HD11 LEU 24 HD11 LEU 24 -3.619 28.208 8.665 179 HD12 LEU 24 HD12 LEU 24 -2.562 27.834 10.021 180 HD13 LEU 24 HD13 LEU 24 -3.770 29.137 10.181 181 HD21 LEU 24 HD21 LEU 24 -3.332 30.227 7.332 182 HD22 LEU 24 HD22 LEU 24 -3.479 31.276 8.758 183 HD23 LEU 24 HD23 LEU 24 -2.077 31.408 7.687 184 H LYS 25 H LYS 25 2.132 30.402 10.821 185 HA LYS 25 HA LYS 25 3.032 29.148 8.362 186 HB2 LYS 25 HB2 LYS 25 3.806 31.347 9.924 187 HB3 LYS 25 HB3 LYS 25 5.148 30.228 10.149 188 HG2 LYS 25 HG2 LYS 25 5.640 30.202 7.811 189 HG3 LYS 25 HG3 LYS 25 4.052 30.808 7.385 190 HD2 LYS 25 HD2 LYS 25 5.311 32.657 7.006 191 HD3 LYS 25 HD3 LYS 25 4.803 32.991 8.656 192 HE2 LYS 25 HE2 LYS 25 7.449 31.685 7.884 193 HE3 LYS 25 HE3 LYS 25 7.238 33.427 8.105 194 HZ1 LYS 25 HZ1 LYS 25 8.085 32.400 10.089 195 HZ2 LYS 25 HZ2 LYS 25 6.599 33.017 10.395 196 HZ3 LYS 25 HZ3 LYS 25 6.791 31.395 10.194 197 H ILE 26 H ILE 26 4.071 28.652 11.826 198 HA ILE 26 HA ILE 26 5.570 26.278 11.204 199 HB ILE 26 HB ILE 26 6.103 27.528 13.161 200 HG12 ILE 26 HG12 ILE 26 4.987 24.802 13.945 201 HG13 ILE 26 HG13 ILE 26 6.544 25.108 13.179 202 HG21 ILE 26 HG21 ILE 26 4.675 27.767 15.135 203 HG22 ILE 26 HG22 ILE 26 3.876 28.457 13.730 204 HG23 ILE 26 HG23 ILE 26 3.377 26.861 14.342 205 HD11 ILE 26 HD11 ILE 26 6.915 24.737 15.517 206 HD12 ILE 26 HD12 ILE 26 7.178 26.465 15.230 207 HD13 ILE 26 HD13 ILE 26 5.675 25.898 15.985 208 H LYS 27 H LYS 27 2.152 26.767 12.187 209 HA LYS 27 HA LYS 27 1.674 23.962 12.568 210 HB2 LYS 27 HB2 LYS 27 0.369 25.999 13.553 211 HB3 LYS 27 HB3 LYS 27 -0.501 25.992 12.009 212 HG2 LYS 27 HG2 LYS 27 -0.498 23.283 12.834 213 HG3 LYS 27 HG3 LYS 27 -0.660 24.161 14.338 214 HD2 LYS 27 HD2 LYS 27 -2.469 24.542 11.913 215 HD3 LYS 27 HD3 LYS 27 -2.807 23.445 13.254 216 HE2 LYS 27 HE2 LYS 27 -2.689 25.407 14.826 217 HE3 LYS 27 HE3 LYS 27 -2.559 26.479 13.409 218 HZ1 LYS 27 HZ1 LYS 27 -4.836 26.237 14.196 219 HZ2 LYS 27 HZ2 LYS 27 -4.688 25.639 12.674 220 HZ3 LYS 27 HZ3 LYS 27 -4.783 24.608 13.962 221 H GLU 28 H GLU 28 1.493 26.075 9.692 222 HA GLU 28 HA GLU 28 0.098 24.169 8.006 223 HB2 GLU 28 HB2 GLU 28 1.882 26.569 7.496 224 HB3 GLU 28 HB3 GLU 28 1.584 25.458 6.187 225 HG2 GLU 28 HG2 GLU 28 -0.808 26.461 7.724 226 HG3 GLU 28 HG3 GLU 28 -0.005 27.527 6.575 227 H HIS 29 H HIS 29 3.496 24.440 9.120 228 HA HIS 29 HA HIS 29 4.490 22.569 7.178 229 HB2 HIS 29 HB2 HIS 29 5.879 24.278 8.562 230 HB3 HIS 29 HB3 HIS 29 5.771 23.126 9.869 231 HD2 HIS 29 HD2 HIS 29 6.313 21.872 6.220 232 HE1 HIS 29 HE1 HIS 29 9.913 21.168 8.370 233 HE2 HIS 29 HE2 HIS 29 8.692 20.764 6.183 234 H VAL 30 H VAL 30 2.507 22.052 9.881 235 HA VAL 30 HA VAL 30 3.374 19.231 10.108 236 HB VAL 30 HB VAL 30 1.829 20.772 12.192 237 HG11 VAL 30 HG11 VAL 30 2.573 18.921 13.675 238 HG12 VAL 30 HG12 VAL 30 1.635 18.294 12.313 239 HG13 VAL 30 HG13 VAL 30 3.404 18.158 12.299 240 HG21 VAL 30 HG21 VAL 30 3.978 20.856 13.481 241 HG22 VAL 30 HG22 VAL 30 4.845 20.283 12.038 242 HG23 VAL 30 HG23 VAL 30 4.026 21.849 12.041 243 H ARG 31 H ARG 31 0.693 21.412 9.496 244 HA ARG 31 HA ARG 31 -1.404 19.412 9.681 245 HB2 ARG 31 HB2 ARG 31 -1.600 21.820 10.249 246 HB3 ARG 31 HB3 ARG 31 -1.376 22.283 8.569 247 HG2 ARG 31 HG2 ARG 31 -3.603 20.341 9.201 248 HG3 ARG 31 HG3 ARG 31 -3.746 21.988 9.823 249 HD2 ARG 31 HD2 ARG 31 -3.256 22.782 7.413 250 HD3 ARG 31 HD3 ARG 31 -3.627 21.124 6.917 251 HE ARG 31 HE ARG 31 -5.728 21.810 8.568 252 HH11 ARG 31 HH11 ARG 31 -4.438 23.344 5.646 253 HH12 ARG 31 HH12 ARG 31 -5.914 24.167 5.314 254 HH21 ARG 31 HH21 ARG 31 -7.594 22.933 8.119 255 HH22 ARG 31 HH22 ARG 31 -7.696 23.939 6.705 256 H SER 32 H SER 32 -1.009 17.827 8.316 257 HA SER 32 HA SER 32 -0.758 16.539 6.530 258 HB2 SER 32 HB2 SER 32 -2.940 17.849 6.044 259 HB3 SER 32 HB3 SER 32 -2.009 18.643 4.766 260 HG SER 32 HG SER 32 -3.101 16.721 4.068 261 H LYS 33 H LYS 33 1.443 18.369 7.187 262 HA LYS 33 HA LYS 33 2.913 18.406 4.585 263 HB2 LYS 33 HB2 LYS 33 2.636 20.400 6.768 264 HB3 LYS 33 HB3 LYS 33 4.276 20.142 6.209 265 HG2 LYS 33 HG2 LYS 33 2.011 21.056 4.446 266 HG3 LYS 33 HG3 LYS 33 3.313 22.023 5.110 267 HD2 LYS 33 HD2 LYS 33 4.867 20.193 3.964 268 HD3 LYS 33 HD3 LYS 33 3.461 19.992 2.904 269 HE2 LYS 33 HE2 LYS 33 3.566 22.298 2.199 270 HE3 LYS 33 HE3 LYS 33 4.599 22.733 3.571 271 HZ1 LYS 33 HZ1 LYS 33 5.890 22.547 1.563 272 HZ2 LYS 33 HZ2 LYS 33 6.347 21.357 2.634 273 HZ3 LYS 33 HZ3 LYS 33 5.404 21.009 1.335 274 H THR 34 H THR 34 3.412 18.030 8.126 275 HA THR 34 HA THR 34 5.956 16.653 7.721 276 HB THR 34 HB THR 34 4.221 17.183 10.161 277 HG1 THR 34 HG1 THR 34 6.005 18.472 10.671 278 HG21 THR 34 HG21 THR 34 6.129 16.361 11.544 279 HG22 THR 34 HG22 THR 34 5.336 15.055 10.651 280 HG23 THR 34 HG23 THR 34 6.885 15.700 10.068 281 H LYS 35 H LYS 35 2.556 15.787 8.122 282 HA LYS 35 HA LYS 35 3.120 12.902 8.430 283 HB2 LYS 35 HB2 LYS 35 0.683 14.700 8.502 284 HB3 LYS 35 HB3 LYS 35 0.463 12.966 8.280 285 HG2 LYS 35 HG2 LYS 35 1.478 12.425 10.352 286 HG3 LYS 35 HG3 LYS 35 2.267 13.998 10.488 287 HD2 LYS 35 HD2 LYS 35 -0.168 14.956 10.603 288 HD3 LYS 35 HD3 LYS 35 -0.643 13.311 11.014 289 HE2 LYS 35 HE2 LYS 35 1.659 14.701 12.430 290 HE3 LYS 35 HE3 LYS 35 -0.006 15.080 12.889 291 HZ1 LYS 35 HZ1 LYS 35 0.993 13.336 14.230 292 HZ2 LYS 35 HZ2 LYS 35 -0.358 12.801 13.448 293 HZ3 LYS 35 HZ3 LYS 35 1.138 12.356 12.914 294 H VAL 36 H VAL 36 1.436 14.990 5.984 295 HA VAL 36 HA VAL 36 1.611 12.746 4.076 296 HB VAL 36 HB VAL 36 -0.141 15.098 4.402 297 HG11 VAL 36 HG11 VAL 36 -0.826 15.196 2.014 298 HG12 VAL 36 HG12 VAL 36 0.791 15.831 2.263 299 HG13 VAL 36 HG13 VAL 36 0.576 14.202 1.572 300 HG21 VAL 36 HG21 VAL 36 -1.780 13.500 3.493 301 HG22 VAL 36 HG22 VAL 36 -0.470 12.388 3.047 302 HG23 VAL 36 HG23 VAL 36 -0.809 12.727 4.762 303 HA PRO 37 HA PRO 37 5.241 14.781 2.312 304 HB2 PRO 37 HB3 PRO 37 5.674 13.113 0.197 305 HB3 PRO 37 HB2 PRO 37 6.049 12.638 1.883 306 HG2 PRO 37 HG3 PRO 37 3.577 11.954 0.260 307 HG3 PRO 37 HG2 PRO 37 4.589 10.864 1.257 308 HD2 PRO 37 HD3 PRO 37 2.266 11.981 2.186 309 HD3 PRO 37 HD2 PRO 37 3.662 11.692 3.261 310 H VAL 38 H VAL 38 5.069 16.537 1.104 311 HA VAL 38 HA VAL 38 4.529 18.063 -0.387 312 HB VAL 38 HB VAL 38 3.332 15.954 -2.150 313 HG11 VAL 38 HG11 VAL 38 3.842 17.572 -3.911 314 HG12 VAL 38 HG12 VAL 38 2.684 18.224 -2.756 315 HG13 VAL 38 HG13 VAL 38 4.375 18.770 -2.695 316 HG21 VAL 38 HG21 VAL 38 5.504 15.942 -3.312 317 HG22 VAL 38 HG22 VAL 38 6.205 17.036 -2.093 318 HG23 VAL 38 HG23 VAL 38 5.699 15.382 -1.652 319 H GLN 39 H GLN 39 3.053 19.680 -0.071 320 HA GLN 39 HA GLN 39 0.332 18.846 0.779 321 HB2 GLN 39 HB2 GLN 39 2.014 21.117 1.346 322 HB3 GLN 39 HB3 GLN 39 0.597 21.744 0.553 323 HG2 GLN 39 HG2 GLN 39 0.586 19.969 3.007 324 HG3 GLN 39 HG3 GLN 39 0.312 21.705 2.976 325 HE21 GLN 39 HE21 GLN 39 -1.116 18.549 2.328 326 HE22 GLN 39 HE22 GLN 39 -2.725 19.166 1.961 327 H ASP 40 H ASP 40 1.424 21.417 -1.468 328 HA ASP 40 HA ASP 40 0.016 20.449 -3.796 329 HB2 ASP 40 HB2 ASP 40 -1.464 22.069 -1.830 330 HB3 ASP 40 HB3 ASP 40 -1.246 22.980 -3.306 331 H GLN 41 H GLN 41 1.314 23.225 -1.944 332 HA GLN 41 HA GLN 41 2.788 24.249 -4.306 333 HB2 GLN 41 HB2 GLN 41 0.374 25.154 -3.902 334 HB3 GLN 41 HB3 GLN 41 1.026 25.997 -2.526 335 HG2 GLN 41 HG2 GLN 41 1.953 27.611 -3.796 336 HG3 GLN 41 HG3 GLN 41 2.709 26.477 -4.897 337 HE21 GLN 41 HE21 GLN 41 1.581 28.989 -5.714 338 HE22 GLN 41 HE22 GLN 41 0.220 28.626 -6.744 339 H VAL 42 H VAL 42 4.848 24.120 -3.602 340 HA VAL 42 HA VAL 42 5.491 24.960 -0.796 341 HB VAL 42 HB VAL 42 7.363 23.482 -0.840 342 HG11 VAL 42 HG11 VAL 42 6.267 21.363 -0.739 343 HG12 VAL 42 HG12 VAL 42 5.021 22.594 -0.341 344 HG13 VAL 42 HG13 VAL 42 5.047 21.849 -1.928 345 HG21 VAL 42 HG21 VAL 42 7.978 21.927 -2.569 346 HG22 VAL 42 HG22 VAL 42 6.624 22.424 -3.591 347 HG23 VAL 42 HG23 VAL 42 7.980 23.534 -3.294 348 H LEU 43 H LEU 43 7.222 26.412 -0.446 349 HA LEU 43 HA LEU 43 8.226 27.846 -2.876 350 HB2 LEU 43 HB2 LEU 43 7.816 28.646 0.022 351 HB3 LEU 43 HB3 LEU 43 9.193 29.307 -0.836 352 HG LEU 43 HG LEU 43 7.148 29.656 -2.688 353 HD11 LEU 43 HD11 LEU 43 5.368 30.830 -1.474 354 HD12 LEU 43 HD12 LEU 43 5.460 29.133 -0.957 355 HD13 LEU 43 HD13 LEU 43 6.140 30.429 0.074 356 HD21 LEU 43 HD21 LEU 43 7.372 32.047 -2.159 357 HD22 LEU 43 HD22 LEU 43 8.255 31.644 -0.668 358 HD23 LEU 43 HD23 LEU 43 8.940 31.237 -2.265 359 H LEU 44 H LEU 44 10.461 28.472 -2.890 360 HA LEU 44 HA LEU 44 12.409 26.698 -1.505 361 HB2 LEU 44 HB2 LEU 44 12.057 27.086 -4.532 362 HB3 LEU 44 HB3 LEU 44 13.579 26.648 -3.795 363 HG LEU 44 HG LEU 44 12.280 24.672 -2.728 364 HD11 LEU 44 HD11 LEU 44 10.512 23.753 -4.285 365 HD12 LEU 44 HD12 LEU 44 9.968 25.186 -3.435 366 HD13 LEU 44 HD13 LEU 44 10.496 25.323 -5.120 367 HD21 LEU 44 HD21 LEU 44 12.833 23.270 -4.657 368 HD22 LEU 44 HD22 LEU 44 12.920 24.709 -5.702 369 HD23 LEU 44 HD23 LEU 44 14.091 24.463 -4.382 370 H LEU 45 H LEU 45 13.523 28.295 -0.399 371 HA LEU 45 HA LEU 45 14.772 30.457 -2.056 372 HB2 LEU 45 HB2 LEU 45 13.169 30.784 0.505 373 HB3 LEU 45 HB3 LEU 45 14.595 31.757 0.302 374 HG LEU 45 HG LEU 45 12.737 33.031 -0.315 375 HD11 LEU 45 HD11 LEU 45 13.550 33.886 -2.406 376 HD12 LEU 45 HD12 LEU 45 14.935 33.160 -1.616 377 HD13 LEU 45 HD13 LEU 45 14.112 32.300 -2.937 378 HD21 LEU 45 HD21 LEU 45 10.957 32.410 -1.589 379 HD22 LEU 45 HD22 LEU 45 11.905 31.391 -2.664 380 HD23 LEU 45 HD23 LEU 45 11.420 30.804 -1.052 381 H GLY 46 H GLY 46 16.846 30.245 -1.973 382 HA2 GLY 46 HA2 GLY 46 18.973 30.163 -1.116 383 HA3 GLY 46 HA3 GLY 46 18.307 30.060 0.526 384 H SER 47 H SER 47 17.807 27.898 -2.289 385 HA SER 47 HA SER 47 18.031 25.696 -2.614 386 HB2 SER 47 HB2 SER 47 20.320 25.660 -0.653 387 HB3 SER 47 HB3 SER 47 20.033 24.569 -2.011 388 HG SER 47 HG SER 47 21.608 26.262 -2.373 389 H LYS 48 H LYS 48 16.533 26.711 -0.064 390 HA LYS 48 HA LYS 48 15.968 24.000 1.066 391 HB2 LYS 48 HB2 LYS 48 15.711 25.083 3.300 392 HB3 LYS 48 HB3 LYS 48 17.370 25.186 2.695 393 HG2 LYS 48 HG2 LYS 48 17.044 27.500 2.028 394 HG3 LYS 48 HG3 LYS 48 15.330 27.439 2.492 395 HD2 LYS 48 HD2 LYS 48 15.895 27.275 4.816 396 HD3 LYS 48 HD3 LYS 48 17.633 27.133 4.451 397 HE2 LYS 48 HE2 LYS 48 17.865 29.346 3.818 398 HE3 LYS 48 HE3 LYS 48 16.192 29.475 3.245 399 HZ1 LYS 48 HZ1 LYS 48 16.574 30.738 5.258 400 HZ2 LYS 48 HZ2 LYS 48 15.434 29.568 5.486 401 HZ3 LYS 48 HZ3 LYS 48 16.964 29.361 6.095 402 H ILE 49 H ILE 49 13.820 23.745 1.876 403 HA ILE 49 HA ILE 49 11.829 25.082 0.245 404 HB ILE 49 HB ILE 49 11.507 23.174 2.629 405 HG12 ILE 49 HG12 ILE 49 12.743 22.057 0.831 406 HG13 ILE 49 HG13 ILE 49 11.152 21.366 1.062 407 HG21 ILE 49 HG21 ILE 49 9.241 22.708 1.714 408 HG22 ILE 49 HG22 ILE 49 9.428 24.359 2.315 409 HG23 ILE 49 HG23 ILE 49 9.449 24.056 0.572 410 HD11 ILE 49 HD11 ILE 49 11.749 21.548 -1.321 411 HD12 ILE 49 HD12 ILE 49 10.318 22.524 -0.960 412 HD13 ILE 49 HD13 ILE 49 11.910 23.294 -1.150 413 H LEU 50 H LEU 50 10.804 26.918 0.715 414 HA LEU 50 HA LEU 50 10.802 28.011 3.497 415 HB2 LEU 50 HB2 LEU 50 11.234 29.327 1.050 416 HB3 LEU 50 HB3 LEU 50 9.532 29.618 1.337 417 HG LEU 50 HG LEU 50 10.098 30.454 3.641 418 HD11 LEU 50 HD11 LEU 50 12.519 31.263 3.894 419 HD12 LEU 50 HD12 LEU 50 12.258 29.526 4.090 420 HD13 LEU 50 HD13 LEU 50 12.941 30.147 2.584 421 HD21 LEU 50 HD21 LEU 50 10.895 32.657 2.813 422 HD22 LEU 50 HD22 LEU 50 11.242 31.915 1.235 423 HD23 LEU 50 HD23 LEU 50 9.577 31.993 1.841 424 H LYS 51 H LYS 51 8.743 29.005 4.182 425 HA LYS 51 HA LYS 51 6.647 26.999 3.946 426 HB2 LYS 51 HB2 LYS 51 7.567 28.309 6.104 427 HB3 LYS 51 HB3 LYS 51 6.395 29.518 5.604 428 HG2 LYS 51 HG2 LYS 51 5.062 28.261 6.987 429 HG3 LYS 51 HG3 LYS 51 4.733 27.412 5.510 430 HD2 LYS 51 HD2 LYS 51 6.721 26.660 7.697 431 HD3 LYS 51 HD3 LYS 51 5.173 25.884 7.358 432 HE2 LYS 51 HE2 LYS 51 7.476 25.838 5.388 433 HE3 LYS 51 HE3 LYS 51 7.257 24.629 6.661 434 HZ1 LYS 51 HZ1 LYS 51 6.227 23.930 4.626 435 HZ2 LYS 51 HZ2 LYS 51 5.070 24.162 5.788 436 HZ3 LYS 51 HZ3 LYS 51 5.255 25.270 4.583 437 HA PRO 52 HA PRO 52 4.386 29.565 1.009 438 HB2 PRO 52 HB3 PRO 52 2.185 28.033 0.606 439 HB3 PRO 52 HB2 PRO 52 3.810 27.546 0.044 440 HG2 PRO 52 HG3 PRO 52 2.424 26.707 2.620 441 HG3 PRO 52 HG2 PRO 52 3.196 25.654 1.390 442 HD2 PRO 52 HD3 PRO 52 4.493 26.436 3.623 443 HD3 PRO 52 HD2 PRO 52 5.362 26.294 2.065 444 H ARG 53 H ARG 53 4.193 31.325 2.461 445 HA ARG 53 HA ARG 53 1.450 31.974 3.044 446 HB2 ARG 53 HB2 ARG 53 2.406 30.504 5.097 447 HB3 ARG 53 HB3 ARG 53 3.145 32.035 5.551 448 HG2 ARG 53 HG2 ARG 53 0.887 33.101 5.501 449 HG3 ARG 53 HG3 ARG 53 0.178 31.560 5.007 450 HD2 ARG 53 HD2 ARG 53 0.156 30.759 7.110 451 HD3 ARG 53 HD3 ARG 53 1.848 31.142 7.369 452 HE ARG 53 HE ARG 53 -0.361 32.577 8.414 453 HH11 ARG 53 HH11 ARG 53 2.725 33.360 6.933 454 HH12 ARG 53 HH12 ARG 53 2.958 34.765 7.933 455 HH21 ARG 53 HH21 ARG 53 0.019 34.296 9.721 456 HH22 ARG 53 HH22 ARG 53 1.416 35.311 9.508 457 H ARG 54 H ARG 54 4.871 32.769 3.664 458 HA ARG 54 HA ARG 54 4.418 35.586 2.938 459 HB2 ARG 54 HB2 ARG 54 4.295 35.002 5.620 460 HB3 ARG 54 HB3 ARG 54 6.032 35.108 5.458 461 HG2 ARG 54 HG2 ARG 54 4.945 37.415 4.090 462 HG3 ARG 54 HG3 ARG 54 3.962 37.190 5.522 463 HD2 ARG 54 HD2 ARG 54 6.612 36.927 6.491 464 HD3 ARG 54 HD3 ARG 54 6.730 38.157 5.245 465 HE ARG 54 HE ARG 54 5.365 39.593 6.503 466 HH11 ARG 54 HH11 ARG 54 5.540 36.492 8.109 467 HH12 ARG 54 HH12 ARG 54 4.942 37.109 9.629 468 HH21 ARG 54 HH21 ARG 54 4.628 40.358 8.491 469 HH22 ARG 54 HH22 ARG 54 4.431 39.298 9.826 470 H SER 55 H SER 55 6.820 36.654 3.362 471 HA SER 55 HA SER 55 8.770 34.828 1.967 472 HB2 SER 55 HB2 SER 55 7.990 37.709 1.523 473 HB3 SER 55 HB3 SER 55 9.660 37.219 1.203 474 HG SER 55 HG SER 55 8.520 36.810 -0.632 475 H LEU 56 H LEU 56 9.264 38.014 3.521 476 HA LEU 56 HA LEU 56 11.170 36.756 5.411 477 HB2 LEU 56 HB2 LEU 56 12.376 39.149 4.765 478 HB3 LEU 56 HB3 LEU 56 12.925 37.562 4.355 479 HG LEU 56 HG LEU 56 11.023 38.979 2.467 480 HD11 LEU 56 HD11 LEU 56 12.945 39.953 1.297 481 HD12 LEU 56 HD12 LEU 56 12.795 40.609 2.930 482 HD13 LEU 56 HD13 LEU 56 14.040 39.388 2.581 483 HD21 LEU 56 HD21 LEU 56 12.192 37.652 0.764 484 HD22 LEU 56 HD22 LEU 56 13.358 37.067 1.971 485 HD23 LEU 56 HD23 LEU 56 11.685 36.549 2.051 486 H SER 57 H SER 57 10.185 40.084 4.736 487 HA SER 57 HA SER 57 9.685 41.831 6.049 488 HB2 SER 57 HB2 SER 57 7.538 40.435 5.959 489 HB3 SER 57 HB3 SER 57 7.914 39.910 7.604 490 HG SER 57 HG SER 57 6.572 41.768 7.576 491 H SER 58 H SER 58 12.024 40.256 6.807 492 HA SER 58 HA SER 58 12.295 39.982 9.603 493 HB2 SER 58 HB2 SER 58 14.596 40.505 7.729 494 HB3 SER 58 HB3 SER 58 14.547 39.481 9.168 495 HG SER 58 HG SER 58 14.528 38.342 7.146 496 H TYR 59 H TYR 59 12.527 42.729 7.504 497 HA TYR 59 HA TYR 59 13.433 44.479 9.736 498 HB2 TYR 59 HB2 TYR 59 15.011 44.118 7.684 499 HB3 TYR 59 HB3 TYR 59 13.844 45.081 6.782 500 HD1 TYR 59 HD1 TYR 59 13.361 47.483 7.602 501 HD2 TYR 59 HD2 TYR 59 16.625 45.102 9.107 502 HE1 TYR 59 HE1 TYR 59 14.399 49.523 8.529 503 HE2 TYR 59 HE2 TYR 59 17.693 47.152 10.005 504 HH TYR 59 HH TYR 59 17.511 49.423 10.312 505 H GLY 60 H GLY 60 12.214 46.371 10.022 506 HA2 GLY 60 HA2 GLY 60 9.502 46.437 8.939 507 HA3 GLY 60 HA3 GLY 60 10.235 47.561 10.090 508 H ILE 61 H ILE 61 9.519 46.928 6.784 509 HA ILE 61 HA ILE 61 10.696 49.534 5.919 510 HB ILE 61 HB ILE 61 10.455 48.372 3.561 511 HG12 ILE 61 HG12 ILE 61 10.973 46.063 3.363 512 HG13 ILE 61 HG13 ILE 61 11.073 45.833 5.104 513 HG21 ILE 61 HG21 ILE 61 12.790 47.694 3.657 514 HG22 ILE 61 HG22 ILE 61 12.536 49.190 4.565 515 HG23 ILE 61 HG23 ILE 61 12.732 47.647 5.426 516 HD11 ILE 61 HD11 ILE 61 9.004 44.936 3.950 517 HD12 ILE 61 HD12 ILE 61 8.697 45.949 5.362 518 HD13 ILE 61 HD13 ILE 61 8.484 46.620 3.722 519 H ASP 62 H ASP 62 9.529 50.722 4.429 520 HA ASP 62 HA ASP 62 6.595 50.234 4.146 521 HB2 ASP 62 HB2 ASP 62 7.972 52.768 5.087 522 HB3 ASP 62 HB3 ASP 62 6.316 52.727 4.512 523 H LYS 63 H LYS 63 9.562 51.559 2.717 524 HA LYS 63 HA LYS 63 8.267 52.908 0.504 525 HB2 LYS 63 HB2 LYS 63 11.092 51.815 1.040 526 HB3 LYS 63 HB3 LYS 63 10.634 52.241 -0.599 527 HG2 LYS 63 HG2 LYS 63 11.167 54.357 -0.195 528 HG3 LYS 63 HG3 LYS 63 9.741 54.455 0.819 529 HD2 LYS 63 HD2 LYS 63 11.383 55.299 2.181 530 HD3 LYS 63 HD3 LYS 63 11.283 53.645 2.773 531 HE2 LYS 63 HE2 LYS 63 13.279 54.536 0.634 532 HE3 LYS 63 HE3 LYS 63 13.618 54.742 2.356 533 HZ1 LYS 63 HZ1 LYS 63 14.560 52.711 1.511 534 HZ2 LYS 63 HZ2 LYS 63 13.412 52.383 2.658 535 HZ3 LYS 63 HZ3 LYS 63 13.070 52.156 1.056 536 H GLU 64 H GLU 64 7.765 52.188 -1.487 537 HA GLU 64 HA GLU 64 6.779 49.560 -1.798 538 HB2 GLU 64 HB2 GLU 64 6.446 50.221 -4.182 539 HB3 GLU 64 HB3 GLU 64 5.664 51.245 -2.992 540 HG2 GLU 64 HG2 GLU 64 6.965 53.094 -3.440 541 HG3 GLU 64 HG3 GLU 64 8.352 52.171 -4.012 542 H LYS 65 H LYS 65 8.037 47.855 -1.881 543 HA LYS 65 HA LYS 65 10.286 47.699 -3.803 544 HB2 LYS 65 HB2 LYS 65 10.440 47.366 -0.801 545 HB3 LYS 65 HB3 LYS 65 11.231 46.129 -1.782 546 HG2 LYS 65 HG2 LYS 65 12.306 48.042 -3.105 547 HG3 LYS 65 HG3 LYS 65 11.802 49.109 -1.778 548 HD2 LYS 65 HD2 LYS 65 13.145 47.855 -0.184 549 HD3 LYS 65 HD3 LYS 65 13.450 46.561 -1.358 550 HE2 LYS 65 HE2 LYS 65 14.418 49.435 -1.675 551 HE3 LYS 65 HE3 LYS 65 15.394 48.089 -1.042 552 HZ1 LYS 65 HZ1 LYS 65 15.784 48.445 -3.399 553 HZ2 LYS 65 HZ2 LYS 65 15.107 46.956 -3.151 554 HZ3 LYS 65 HZ3 LYS 65 14.187 48.190 -3.744 555 H THR 66 H THR 66 9.901 46.200 -5.148 556 HA THR 66 HA THR 66 8.136 43.918 -4.466 557 HB THR 66 HB THR 66 8.128 43.451 -6.792 558 HG1 THR 66 HG1 THR 66 9.440 44.550 -8.277 559 HG21 THR 66 HG21 THR 66 7.143 45.411 -7.750 560 HG22 THR 66 HG22 THR 66 6.859 45.540 -6.006 561 HG23 THR 66 HG23 THR 66 8.139 46.492 -6.753 562 H ILE 67 H ILE 67 8.855 41.748 -4.958 563 HA ILE 67 HA ILE 67 11.764 41.219 -4.885 564 HB ILE 67 HB ILE 67 10.457 39.426 -3.007 565 HG12 ILE 67 HG12 ILE 67 10.231 42.322 -2.075 566 HG13 ILE 67 HG13 ILE 67 8.880 41.263 -2.491 567 HG21 ILE 67 HG21 ILE 67 12.342 39.984 -1.600 568 HG22 ILE 67 HG22 ILE 67 12.885 39.910 -3.277 569 HG23 ILE 67 HG23 ILE 67 12.627 41.488 -2.519 570 HD11 ILE 67 HD11 ILE 67 9.067 41.245 -0.125 571 HD12 ILE 67 HD12 ILE 67 9.689 39.668 -0.664 572 HD13 ILE 67 HD13 ILE 67 10.813 40.960 -0.161 573 H HIS 68 H HIS 68 12.264 39.176 -5.702 574 HA HIS 68 HA HIS 68 9.999 37.572 -6.798 575 HB2 HIS 68 HB2 HIS 68 11.316 39.183 -8.428 576 HB3 HIS 68 HB3 HIS 68 12.580 37.976 -8.356 577 HD2 HIS 68 HD2 HIS 68 11.224 38.551 -11.078 578 HE1 HIS 68 HE1 HIS 68 8.648 35.216 -10.478 579 HE2 HIS 68 HE2 HIS 68 9.548 36.865 -12.189 580 H LEU 69 H LEU 69 10.083 35.584 -6.194 581 HA LEU 69 HA LEU 69 12.623 34.353 -5.188 582 HB2 LEU 69 HB2 LEU 69 10.012 33.563 -3.945 583 HB3 LEU 69 HB3 LEU 69 11.627 33.594 -3.331 584 HG LEU 69 HG LEU 69 11.068 36.328 -3.510 585 HD11 LEU 69 HD11 LEU 69 8.845 36.582 -2.506 586 HD12 LEU 69 HD12 LEU 69 8.699 35.741 -4.049 587 HD13 LEU 69 HD13 LEU 69 8.580 34.828 -2.540 588 HD21 LEU 69 HD21 LEU 69 10.793 36.329 -1.086 589 HD22 LEU 69 HD22 LEU 69 10.577 34.573 -1.069 590 HD23 LEU 69 HD23 LEU 69 12.135 35.286 -1.540 591 H THR 70 H THR 70 12.369 31.876 -5.078 592 HA THR 70 HA THR 70 10.842 30.930 -7.459 593 HB THR 70 HB THR 70 12.308 28.806 -7.030 594 HG1 THR 70 HG1 THR 70 14.296 29.248 -6.162 595 HG21 THR 70 HG21 THR 70 14.166 29.803 -8.381 596 HG22 THR 70 HG22 THR 70 12.569 30.151 -9.021 597 HG23 THR 70 HG23 THR 70 13.461 31.405 -8.115 598 H LEU 71 H LEU 71 9.399 29.389 -7.402 599 HA LEU 71 HA LEU 71 8.515 28.031 -4.927 600 HB2 LEU 71 HB2 LEU 71 7.226 30.077 -4.922 601 HB3 LEU 71 HB3 LEU 71 6.929 29.971 -6.642 602 HG LEU 71 HG LEU 71 5.799 27.756 -4.963 603 HD11 LEU 71 HD11 LEU 71 3.807 28.990 -4.374 604 HD12 LEU 71 HD12 LEU 71 5.195 29.786 -3.659 605 HD13 LEU 71 HD13 LEU 71 4.447 30.475 -5.103 606 HD21 LEU 71 HD21 LEU 71 3.895 28.020 -6.552 607 HD22 LEU 71 HD22 LEU 71 4.723 29.382 -7.307 608 HD23 LEU 71 HD23 LEU 71 5.414 27.768 -7.434 609 H LYS 72 H LYS 72 7.339 26.139 -5.417 610 HA LYS 72 HA LYS 72 6.838 25.407 -8.239 611 HB2 LYS 72 HB2 LYS 72 9.105 24.345 -6.637 612 HB3 LYS 72 HB3 LYS 72 8.053 23.062 -7.158 613 HG2 LYS 72 HG2 LYS 72 8.968 25.193 -9.114 614 HG3 LYS 72 HG3 LYS 72 10.011 23.848 -8.709 615 HD2 LYS 72 HD2 LYS 72 7.175 23.162 -9.461 616 HD3 LYS 72 HD3 LYS 72 8.203 23.775 -10.759 617 HE2 LYS 72 HE2 LYS 72 9.018 21.470 -8.948 618 HE3 LYS 72 HE3 LYS 72 8.164 21.262 -10.493 619 HZ1 LYS 72 HZ1 LYS 72 10.539 21.067 -10.772 620 HZ2 LYS 72 HZ2 LYS 72 9.967 22.368 -11.605 621 HZ3 LYS 72 HZ3 LYS 72 10.775 22.597 -10.191 622 H VAL 73 H VAL 73 4.960 24.416 -8.368 623 HA VAL 73 HA VAL 73 3.702 23.267 -5.932 624 HB VAL 73 HB VAL 73 1.968 24.516 -6.386 625 HG11 VAL 73 HG11 VAL 73 1.680 26.012 -8.311 626 HG12 VAL 73 HG12 VAL 73 3.285 26.153 -7.606 627 HG13 VAL 73 HG13 VAL 73 3.056 25.242 -9.112 628 HG21 VAL 73 HG21 VAL 73 0.372 23.996 -8.105 629 HG22 VAL 73 HG22 VAL 73 1.602 23.160 -9.080 630 HG23 VAL 73 HG23 VAL 73 1.067 22.485 -7.520 631 H VAL 74 H VAL 74 3.179 21.276 -5.845 632 HA VAL 74 HA VAL 74 3.112 19.459 -8.105 633 HB VAL 74 HB VAL 74 4.666 17.855 -6.818 634 HG11 VAL 74 HG11 VAL 74 6.623 18.558 -8.019 635 HG12 VAL 74 HG12 VAL 74 5.206 18.906 -9.024 636 HG13 VAL 74 HG13 VAL 74 6.020 20.222 -8.160 637 HG21 VAL 74 HG21 VAL 74 6.386 18.696 -5.413 638 HG22 VAL 74 HG22 VAL 74 5.980 20.389 -5.768 639 HG23 VAL 74 HG23 VAL 74 4.894 19.420 -4.786 640 H LYS 75 H LYS 75 1.992 17.627 -7.652 641 HA LYS 75 HA LYS 75 0.189 16.525 -6.910 642 HB2 LYS 75 HB2 LYS 75 1.618 16.530 -4.231 643 HB3 LYS 75 HB3 LYS 75 0.390 15.390 -4.805 644 HG2 LYS 75 HG2 LYS 75 2.172 15.205 -6.870 645 HG3 LYS 75 HG3 LYS 75 3.285 15.579 -5.556 646 HD2 LYS 75 HD2 LYS 75 2.703 13.609 -4.370 647 HD3 LYS 75 HD3 LYS 75 1.232 13.338 -5.332 648 HE2 LYS 75 HE2 LYS 75 2.334 12.504 -7.151 649 HE3 LYS 75 HE3 LYS 75 3.740 13.553 -6.913 650 HZ1 LYS 75 HZ1 LYS 75 4.262 11.208 -6.502 651 HZ2 LYS 75 HZ2 LYS 75 4.485 12.120 -5.166 652 HZ3 LYS 75 HZ3 LYS 75 3.168 11.158 -5.291 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 0.966 44.992 -0.864 2 H2 LEU 1 H2 LEU 1 1.976 44.062 0.042 3 H3 LEU 1 H3 LEU 1 2.079 45.713 0.122 4 HA LEU 1 HA LEU 1 2.761 45.868 -2.160 5 HB2 LEU 1 HB2 LEU 1 4.642 43.840 -0.926 6 HB3 LEU 1 HB3 LEU 1 4.997 45.247 -1.889 7 HG LEU 1 HG LEU 1 4.037 45.301 1.009 8 HD11 LEU 1 HD11 LEU 1 6.288 45.907 1.607 9 HD12 LEU 1 HD12 LEU 1 6.361 44.408 0.652 10 HD13 LEU 1 HD13 LEU 1 6.791 45.963 -0.091 11 HD21 LEU 1 HD21 LEU 1 4.720 47.715 0.895 12 HD22 LEU 1 HD22 LEU 1 4.931 47.516 -0.845 13 HD23 LEU 1 HD23 LEU 1 3.322 47.349 -0.125 14 H CYS 2 H CYS 2 4.371 43.890 -3.507 15 HA CYS 2 HA CYS 2 2.634 41.510 -3.811 16 HB2 CYS 2 HB2 CYS 2 2.842 41.588 -6.261 17 HB3 CYS 2 HB3 CYS 2 1.888 42.934 -5.619 18 HG CYS 2 HG CYS 2 3.213 43.808 -7.626 19 H VAL 3 H VAL 3 3.662 39.685 -4.411 20 HA VAL 3 HA VAL 3 6.649 39.701 -4.520 21 HB VAL 3 HB VAL 3 6.330 37.295 -3.534 22 HG11 VAL 3 HG11 VAL 3 6.540 38.187 -1.211 23 HG12 VAL 3 HG12 VAL 3 7.591 38.968 -2.392 24 HG13 VAL 3 HG13 VAL 3 6.134 39.806 -1.847 25 HG21 VAL 3 HG21 VAL 3 4.547 36.789 -2.133 26 HG22 VAL 3 HG22 VAL 3 4.004 38.478 -2.028 27 HG23 VAL 3 HG23 VAL 3 3.749 37.547 -3.512 28 H HIS 4 H HIS 4 7.550 38.241 -5.912 29 HA HIS 4 HA HIS 4 5.756 37.158 -8.047 30 HB2 HIS 4 HB2 HIS 4 8.624 38.174 -8.257 31 HB3 HIS 4 HB3 HIS 4 7.602 37.627 -9.573 32 HD2 HIS 4 HD2 HIS 4 9.015 40.464 -9.528 33 HE1 HIS 4 HE1 HIS 4 5.108 42.056 -8.951 34 HE2 HIS 4 HE2 HIS 4 7.478 42.587 -9.710 35 H VAL 5 H VAL 5 6.346 35.157 -8.955 36 HA VAL 5 HA VAL 5 8.340 33.539 -7.424 37 HB VAL 5 HB VAL 5 6.594 31.650 -7.824 38 HG11 VAL 5 HG11 VAL 5 5.712 32.092 -5.546 39 HG12 VAL 5 HG12 VAL 5 7.447 32.386 -5.658 40 HG13 VAL 5 HG13 VAL 5 6.316 33.755 -5.647 41 HG21 VAL 5 HG21 VAL 5 4.243 32.255 -7.644 42 HG22 VAL 5 HG22 VAL 5 4.640 33.973 -7.694 43 HG23 VAL 5 HG23 VAL 5 4.943 32.952 -9.113 44 H ARG 6 H ARG 6 9.625 32.383 -8.493 45 HA ARG 6 HA ARG 6 9.763 32.414 -11.434 46 HB2 ARG 6 HB2 ARG 6 11.514 31.036 -9.332 47 HB3 ARG 6 HB3 ARG 6 11.952 31.221 -11.005 48 HG2 ARG 6 HG2 ARG 6 11.444 33.675 -9.299 49 HG3 ARG 6 HG3 ARG 6 12.964 32.832 -9.174 50 HD2 ARG 6 HD2 ARG 6 12.004 33.581 -11.927 51 HD3 ARG 6 HD3 ARG 6 12.606 34.852 -10.846 52 HE ARG 6 HE ARG 6 14.500 32.816 -10.738 53 HH11 ARG 6 HH11 ARG 6 13.306 35.018 -13.216 54 HH12 ARG 6 HH12 ARG 6 14.874 35.224 -13.939 55 HH21 ARG 6 HH21 ARG 6 16.511 33.143 -11.686 56 HH22 ARG 6 HH22 ARG 6 16.674 34.169 -13.065 57 H SER 7 H SER 7 10.579 30.158 -12.342 58 HA SER 7 HA SER 7 9.914 28.203 -13.176 59 HB2 SER 7 HB2 SER 7 10.228 27.416 -10.791 60 HB3 SER 7 HB3 SER 7 8.448 27.451 -10.690 61 HG SER 7 HG SER 7 9.231 25.422 -11.317 62 H GLU 8 H GLU 8 7.529 26.789 -13.304 63 HA GLU 8 HA GLU 8 5.659 28.806 -14.445 64 HB2 GLU 8 HB2 GLU 8 5.589 25.741 -14.206 65 HB3 GLU 8 HB3 GLU 8 4.207 26.711 -14.727 66 HG2 GLU 8 HG2 GLU 8 5.859 27.788 -16.427 67 HG3 GLU 8 HG3 GLU 8 6.868 26.364 -16.120 68 H GLU 9 H GLU 9 4.444 29.931 -13.169 69 HA GLU 9 HA GLU 9 3.076 28.633 -10.860 70 HB2 GLU 9 HB2 GLU 9 2.776 30.698 -9.851 71 HB3 GLU 9 HB3 GLU 9 4.438 30.734 -10.386 72 HG2 GLU 9 HG2 GLU 9 2.063 32.153 -11.696 73 HG3 GLU 9 HG3 GLU 9 3.284 32.896 -10.679 74 H TRP 10 H TRP 10 0.843 28.781 -10.773 75 HA TRP 10 HA TRP 10 -0.604 29.288 -13.337 76 HB2 TRP 10 HB2 TRP 10 -1.283 27.801 -10.759 77 HB3 TRP 10 HB3 TRP 10 -2.498 28.249 -11.932 78 HD1 TRP 10 HD1 TRP 10 0.934 26.477 -12.358 79 HE1 TRP 10 HE1 TRP 10 0.604 24.404 -13.793 80 HE3 TRP 10 HE3 TRP 10 -4.110 26.841 -13.138 81 HZ2 TRP 10 HZ2 TRP 10 -1.579 23.046 -15.126 82 HZ3 TRP 10 HZ3 TRP 10 -5.289 25.131 -14.493 83 HH2 TRP 10 HH2 TRP 10 -4.038 23.234 -15.494 84 H ASP 11 H ASP 11 -0.111 30.607 -10.115 85 HA ASP 11 HA ASP 11 -1.895 32.860 -10.753 86 HB2 ASP 11 HB2 ASP 11 -3.144 31.113 -9.342 87 HB3 ASP 11 HB3 ASP 11 -1.974 31.423 -8.053 88 H LEU 12 H LEU 12 -1.182 34.756 -9.895 89 HA LEU 12 HA LEU 12 1.615 34.910 -9.056 90 HB2 LEU 12 HB2 LEU 12 1.214 37.343 -9.089 91 HB3 LEU 12 HB3 LEU 12 0.705 36.578 -10.577 92 HG LEU 12 HG LEU 12 -1.623 36.668 -8.852 93 HD11 LEU 12 HD11 LEU 12 -1.876 39.060 -8.468 94 HD12 LEU 12 HD12 LEU 12 -0.477 38.438 -7.579 95 HD13 LEU 12 HD13 LEU 12 -0.231 39.367 -9.072 96 HD21 LEU 12 HD21 LEU 12 -2.561 38.038 -10.640 97 HD22 LEU 12 HD22 LEU 12 -0.939 38.315 -11.317 98 HD23 LEU 12 HD23 LEU 12 -1.634 36.681 -11.316 99 H MET 13 H MET 13 2.336 35.885 -7.122 100 HA MET 13 HA MET 13 0.649 35.231 -4.748 101 HB2 MET 13 HB2 MET 13 3.640 35.799 -5.000 102 HB3 MET 13 HB3 MET 13 2.819 35.240 -3.552 103 HG2 MET 13 HG2 MET 13 2.387 33.484 -5.918 104 HG3 MET 13 HG3 MET 13 4.058 33.721 -5.485 105 HE1 MET 13 HE1 MET 13 1.100 31.005 -3.413 106 HE2 MET 13 HE2 MET 13 0.558 32.601 -3.993 107 HE3 MET 13 HE3 MET 13 1.238 31.425 -5.134 108 H THR 14 H THR 14 0.824 36.756 -2.883 109 HA THR 14 HA THR 14 1.407 39.584 -3.565 110 HB THR 14 HB THR 14 -0.991 39.234 -4.044 111 HG1 THR 14 HG1 THR 14 -1.624 40.991 -2.771 112 HG21 THR 14 HG21 THR 14 -2.617 38.937 -2.242 113 HG22 THR 14 HG22 THR 14 -1.585 37.507 -2.355 114 HG23 THR 14 HG23 THR 14 -1.326 38.699 -1.058 115 H PHE 15 H PHE 15 1.837 40.886 -1.798 116 HA PHE 15 HA PHE 15 3.073 39.387 0.451 117 HB2 PHE 15 HB2 PHE 15 4.312 41.094 -0.961 118 HB3 PHE 15 HB3 PHE 15 3.212 42.318 -0.345 119 HD1 PHE 15 HD1 PHE 15 5.987 40.021 0.543 120 HD2 PHE 15 HD2 PHE 15 3.449 43.231 1.911 121 HE1 PHE 15 HE1 PHE 15 7.592 40.523 2.371 122 HE2 PHE 15 HE2 PHE 15 5.056 43.734 3.718 123 HZ PHE 15 HZ PHE 15 7.159 42.421 3.927 124 H ASP 16 H ASP 16 1.396 38.874 1.703 125 HA ASP 16 HA ASP 16 -0.008 40.913 3.292 126 HB2 ASP 16 HB2 ASP 16 -1.263 40.071 1.055 127 HB3 ASP 16 HB3 ASP 16 -1.653 38.683 2.065 128 H ALA 17 H ALA 17 -1.370 39.600 5.049 129 HA ALA 17 HA ALA 17 -0.244 36.915 5.615 130 HB1 ALA 17 HB1 ALA 17 0.382 37.575 7.948 131 HB2 ALA 17 HB2 ALA 17 1.376 38.385 6.731 132 HB3 ALA 17 HB3 ALA 17 0.070 39.273 7.554 133 H ASN 18 H ASN 18 -1.818 35.680 6.185 134 HA ASN 18 HA ASN 18 -4.387 36.732 7.243 135 HB2 ASN 18 HB2 ASN 18 -3.535 34.211 5.823 136 HB3 ASN 18 HB3 ASN 18 -4.820 34.076 7.018 137 HD21 ASN 18 HD21 ASN 18 -3.947 35.572 3.907 138 HD22 ASN 18 HD22 ASN 18 -5.575 36.036 3.526 139 HA PRO 19 HA PRO 19 -3.101 34.120 10.962 140 HB2 PRO 19 HB3 PRO 19 -0.743 32.762 11.146 141 HB3 PRO 19 HB2 PRO 19 -2.239 32.060 10.453 142 HG2 PRO 19 HG3 PRO 19 0.131 33.249 8.988 143 HG3 PRO 19 HG2 PRO 19 -0.780 31.755 8.618 144 HD2 PRO 19 HD3 PRO 19 -1.245 34.139 7.341 145 HD3 PRO 19 HD2 PRO 19 -2.530 32.932 7.629 146 H TYR 20 H TYR 20 -2.772 35.754 12.291 147 HA TYR 20 HA TYR 20 -0.627 37.667 12.018 148 HB2 TYR 20 HB2 TYR 20 -3.205 37.709 13.044 149 HB3 TYR 20 HB3 TYR 20 -2.238 37.673 14.508 150 HD1 TYR 20 HD2 TYR 20 -2.933 39.501 11.343 151 HD2 TYR 20 HD1 TYR 20 -0.953 39.651 15.174 152 HE1 TYR 20 HE2 TYR 20 -2.543 41.931 11.038 153 HE2 TYR 20 HE1 TYR 20 -0.563 42.092 14.870 154 HH TYR 20 HH TYR 20 -1.653 43.840 11.945 155 H ASP 21 H ASP 21 -1.262 34.746 13.930 156 HA ASP 21 HA ASP 21 0.974 35.180 15.791 157 HB2 ASP 21 HB2 ASP 21 -0.602 32.667 15.009 158 HB3 ASP 21 HB3 ASP 21 0.484 32.795 16.377 159 H SER 22 H SER 22 2.919 34.177 15.715 160 HA SER 22 HA SER 22 4.134 33.584 13.168 161 HB2 SER 22 HB2 SER 22 5.263 33.618 15.997 162 HB3 SER 22 HB3 SER 22 6.230 33.470 14.516 163 HG SER 22 HG SER 22 5.980 35.647 15.410 164 H VAL 23 H VAL 23 3.065 31.706 15.993 165 HA VAL 23 HA VAL 23 4.446 29.299 15.191 166 HB VAL 23 HB VAL 23 3.844 29.865 17.549 167 HG11 VAL 23 HG11 VAL 23 1.635 29.296 18.414 168 HG12 VAL 23 HG12 VAL 23 1.464 30.574 17.205 169 HG13 VAL 23 HG13 VAL 23 1.042 28.890 16.801 170 HG21 VAL 23 HG21 VAL 23 3.521 27.553 18.163 171 HG22 VAL 23 HG22 VAL 23 2.834 27.155 16.581 172 HG23 VAL 23 HG23 VAL 23 4.551 27.596 16.730 173 H LEU 24 H LEU 24 1.301 30.728 14.436 174 HA LEU 24 HA LEU 24 -0.001 28.423 13.403 175 HB2 LEU 24 HB2 LEU 24 -0.273 31.381 13.188 176 HB3 LEU 24 HB3 LEU 24 -0.839 30.523 11.784 177 HG LEU 24 HG LEU 24 -2.595 31.055 13.441 178 HD11 LEU 24 HD11 LEU 24 -3.759 28.925 13.198 179 HD12 LEU 24 HD12 LEU 24 -2.882 29.316 11.723 180 HD13 LEU 24 HD13 LEU 24 -2.239 28.097 12.830 181 HD21 LEU 24 HD21 LEU 24 -2.888 29.770 15.457 182 HD22 LEU 24 HD22 LEU 24 -1.451 28.790 15.140 183 HD23 LEU 24 HD23 LEU 24 -1.300 30.519 15.527 184 H LYS 25 H LYS 25 2.683 30.256 12.098 185 HA LYS 25 HA LYS 25 2.234 29.454 9.339 186 HB2 LYS 25 HB2 LYS 25 3.827 31.381 10.729 187 HB3 LYS 25 HB3 LYS 25 4.981 30.279 9.959 188 HG2 LYS 25 HG2 LYS 25 3.839 30.639 7.777 189 HG3 LYS 25 HG3 LYS 25 2.655 31.690 8.563 190 HD2 LYS 25 HD2 LYS 25 4.301 33.100 7.550 191 HD3 LYS 25 HD3 LYS 25 4.535 33.198 9.284 192 HE2 LYS 25 HE2 LYS 25 6.119 31.029 8.033 193 HE3 LYS 25 HE3 LYS 25 6.493 32.613 7.335 194 HZ1 LYS 25 HZ1 LYS 25 7.876 32.121 9.249 195 HZ2 LYS 25 HZ2 LYS 25 6.947 33.441 9.552 196 HZ3 LYS 25 HZ3 LYS 25 6.562 31.997 10.230 197 H ILE 26 H ILE 26 4.588 28.453 11.869 198 HA ILE 26 HA ILE 26 5.721 26.299 10.290 199 HB ILE 26 HB ILE 26 7.081 27.269 11.977 200 HG12 ILE 26 HG12 ILE 26 6.233 24.483 12.885 201 HG13 ILE 26 HG13 ILE 26 7.365 24.867 11.577 202 HG21 ILE 26 HG21 ILE 26 6.636 27.307 14.365 203 HG22 ILE 26 HG22 ILE 26 5.371 28.152 13.513 204 HG23 ILE 26 HG23 ILE 26 5.067 26.510 14.116 205 HD11 ILE 26 HD11 ILE 26 8.639 24.222 13.498 206 HD12 ILE 26 HD12 ILE 26 8.846 25.978 13.328 207 HD13 ILE 26 HD13 ILE 26 7.747 25.306 14.566 208 H LYS 27 H LYS 27 3.044 26.587 12.645 209 HA LYS 27 HA LYS 27 2.630 23.747 12.762 210 HB2 LYS 27 HB2 LYS 27 2.154 25.351 14.592 211 HB3 LYS 27 HB3 LYS 27 0.778 25.975 13.675 212 HG2 LYS 27 HG2 LYS 27 -0.517 24.106 14.085 213 HG3 LYS 27 HG3 LYS 27 0.861 22.993 13.971 214 HD2 LYS 27 HD2 LYS 27 1.654 23.826 16.212 215 HD3 LYS 27 HD3 LYS 27 0.126 24.716 16.359 216 HE2 LYS 27 HE2 LYS 27 -1.157 22.663 16.275 217 HE3 LYS 27 HE3 LYS 27 0.295 21.724 15.809 218 HZ1 LYS 27 HZ1 LYS 27 -0.233 21.492 18.175 219 HZ2 LYS 27 HZ2 LYS 27 1.232 22.231 17.970 220 HZ3 LYS 27 HZ3 LYS 27 -0.024 23.124 18.406 221 H GLU 28 H GLU 28 1.267 26.322 10.693 222 HA GLU 28 HA GLU 28 -0.739 24.636 9.455 223 HB2 GLU 28 HB2 GLU 28 0.649 27.220 8.700 224 HB3 GLU 28 HB3 GLU 28 -0.175 26.316 7.471 225 HG2 GLU 28 HG2 GLU 28 -1.873 26.632 9.875 226 HG3 GLU 28 HG3 GLU 28 -1.390 28.148 9.117 227 H HIS 29 H HIS 29 2.801 24.886 9.103 228 HA HIS 29 HA HIS 29 2.841 23.460 6.578 229 HB2 HIS 29 HB2 HIS 29 4.665 25.036 7.455 230 HB3 HIS 29 HB3 HIS 29 5.141 23.735 8.533 231 HD2 HIS 29 HD2 HIS 29 4.276 23.665 4.695 232 HE1 HIS 29 HE1 HIS 29 8.015 21.739 5.234 233 HE2 HIS 29 HE2 HIS 29 6.236 22.393 3.533 234 H VAL 30 H VAL 30 2.369 22.410 9.825 235 HA VAL 30 HA VAL 30 3.085 19.630 9.102 236 HB VAL 30 HB VAL 30 2.772 20.758 11.877 237 HG11 VAL 30 HG11 VAL 30 3.977 18.683 12.549 238 HG12 VAL 30 HG12 VAL 30 2.457 18.293 11.747 239 HG13 VAL 30 HG13 VAL 30 3.988 18.140 10.855 240 HG21 VAL 30 HG21 VAL 30 5.254 20.623 12.017 241 HG22 VAL 30 HG22 VAL 30 5.327 20.231 10.281 242 HG23 VAL 30 HG23 VAL 30 4.751 21.805 10.824 243 H ARG 31 H ARG 31 0.428 21.712 10.052 244 HA ARG 31 HA ARG 31 -1.385 19.580 10.849 245 HB2 ARG 31 HB2 ARG 31 -1.396 21.952 11.729 246 HB3 ARG 31 HB3 ARG 31 -1.918 22.527 10.145 247 HG2 ARG 31 HG2 ARG 31 -3.807 20.526 10.775 248 HG3 ARG 31 HG3 ARG 31 -3.415 21.218 12.340 249 HD2 ARG 31 HD2 ARG 31 -5.183 22.552 11.694 250 HD3 ARG 31 HD3 ARG 31 -3.819 23.542 11.160 251 HE ARG 31 HE ARG 31 -4.505 21.850 9.010 252 HH11 ARG 31 HH11 ARG 31 -5.953 24.587 10.714 253 HH12 ARG 31 HH12 ARG 31 -7.099 24.908 9.466 254 HH21 ARG 31 HH21 ARG 31 -6.073 22.256 7.449 255 HH22 ARG 31 HH22 ARG 31 -7.149 23.604 7.616 256 H SER 32 H SER 32 -1.465 18.205 9.106 257 HA SER 32 HA SER 32 -2.110 17.231 7.220 258 HB2 SER 32 HB2 SER 32 -4.302 18.292 8.025 259 HB3 SER 32 HB3 SER 32 -4.105 19.429 6.681 260 HG SER 32 HG SER 32 -5.322 17.551 6.124 261 H LYS 33 H LYS 33 0.107 19.203 7.116 262 HA LYS 33 HA LYS 33 0.209 19.644 4.166 263 HB2 LYS 33 HB2 LYS 33 1.032 21.378 6.441 264 HB3 LYS 33 HB3 LYS 33 2.092 21.321 5.030 265 HG2 LYS 33 HG2 LYS 33 0.646 23.216 4.875 266 HG3 LYS 33 HG3 LYS 33 0.327 22.092 3.563 267 HD2 LYS 33 HD2 LYS 33 -1.753 21.425 4.460 268 HD3 LYS 33 HD3 LYS 33 -1.404 22.136 6.051 269 HE2 LYS 33 HE2 LYS 33 -1.627 24.340 5.290 270 HE3 LYS 33 HE3 LYS 33 -1.484 23.849 3.570 271 HZ1 LYS 33 HZ1 LYS 33 -3.760 24.380 4.210 272 HZ2 LYS 33 HZ2 LYS 33 -3.622 22.807 3.723 273 HZ3 LYS 33 HZ3 LYS 33 -3.753 23.189 5.332 274 H THR 34 H THR 34 2.334 18.916 7.017 275 HA THR 34 HA THR 34 4.377 17.740 5.321 276 HB THR 34 HB THR 34 3.911 17.742 8.320 277 HG1 THR 34 HG1 THR 34 5.759 19.048 8.211 278 HG21 THR 34 HG21 THR 34 6.235 16.873 8.556 279 HG22 THR 34 HG22 THR 34 5.124 15.658 7.926 280 HG23 THR 34 HG23 THR 34 6.247 16.490 6.823 281 H LYS 35 H LYS 35 1.533 16.561 6.999 282 HA LYS 35 HA LYS 35 2.043 13.740 6.928 283 HB2 LYS 35 HB2 LYS 35 -0.352 15.583 7.219 284 HB3 LYS 35 HB3 LYS 35 -0.672 13.870 6.905 285 HG2 LYS 35 HG2 LYS 35 0.541 13.164 8.840 286 HG3 LYS 35 HG3 LYS 35 1.233 14.775 9.079 287 HD2 LYS 35 HD2 LYS 35 -1.469 15.353 9.244 288 HD3 LYS 35 HD3 LYS 35 -1.425 13.707 9.893 289 HE2 LYS 35 HE2 LYS 35 0.480 14.428 11.401 290 HE3 LYS 35 HE3 LYS 35 0.283 16.081 10.777 291 HZ1 LYS 35 HZ1 LYS 35 -0.867 15.810 12.838 292 HZ2 LYS 35 HZ2 LYS 35 -1.986 16.050 11.642 293 HZ3 LYS 35 HZ3 LYS 35 -1.751 14.538 12.262 294 H VAL 36 H VAL 36 0.483 15.905 4.493 295 HA VAL 36 HA VAL 36 0.217 13.607 2.660 296 HB VAL 36 HB VAL 36 -1.632 15.142 2.781 297 HG11 VAL 36 HG11 VAL 36 -1.636 17.419 2.033 298 HG12 VAL 36 HG12 VAL 36 -0.417 17.280 3.311 299 HG13 VAL 36 HG13 VAL 36 0.087 17.355 1.604 300 HG21 VAL 36 HG21 VAL 36 -1.948 15.499 0.391 301 HG22 VAL 36 HG22 VAL 36 -0.207 15.384 0.094 302 HG23 VAL 36 HG23 VAL 36 -1.114 13.961 0.659 303 HA PRO 37 HA PRO 37 4.325 14.829 1.101 304 HB2 PRO 37 HB3 PRO 37 4.662 12.883 -0.787 305 HB3 PRO 37 HB2 PRO 37 4.841 12.579 0.966 306 HG2 PRO 37 HG3 PRO 37 2.415 12.051 -0.784 307 HG3 PRO 37 HG2 PRO 37 3.178 10.953 0.397 308 HD2 PRO 37 HD3 PRO 37 0.998 12.457 1.017 309 HD3 PRO 37 HD2 PRO 37 2.268 12.119 2.228 310 H VAL 38 H VAL 38 4.145 16.646 -0.012 311 HA VAL 38 HA VAL 38 3.883 18.167 -1.560 312 HB VAL 38 HB VAL 38 3.098 16.111 -3.563 313 HG11 VAL 38 HG11 VAL 38 3.938 17.662 -5.168 314 HG12 VAL 38 HG12 VAL 38 2.814 18.552 -4.157 315 HG13 VAL 38 HG13 VAL 38 4.556 18.772 -3.927 316 HG21 VAL 38 HG21 VAL 38 5.498 16.042 -4.215 317 HG22 VAL 38 HG22 VAL 38 5.927 16.996 -2.773 318 HG23 VAL 38 HG23 VAL 38 5.236 15.361 -2.610 319 H GLN 39 H GLN 39 2.339 19.738 -1.477 320 HA GLN 39 HA GLN 39 -0.483 18.832 -1.151 321 HB2 GLN 39 HB2 GLN 39 0.763 21.634 -1.042 322 HB3 GLN 39 HB3 GLN 39 -0.934 21.240 -0.787 323 HG2 GLN 39 HG2 GLN 39 -0.251 21.352 1.375 324 HG3 GLN 39 HG3 GLN 39 -0.023 19.639 1.107 325 HE21 GLN 39 HE21 GLN 39 2.191 18.820 1.030 326 HE22 GLN 39 HE22 GLN 39 3.530 19.821 1.530 327 H ASP 40 H ASP 40 0.907 21.507 -3.120 328 HA ASP 40 HA ASP 40 0.037 20.435 -5.653 329 HB2 ASP 40 HB2 ASP 40 -1.920 22.025 -4.185 330 HB3 ASP 40 HB3 ASP 40 -1.310 22.999 -5.509 331 H GLN 41 H GLN 41 0.946 23.304 -3.719 332 HA GLN 41 HA GLN 41 2.858 24.219 -5.776 333 HB2 GLN 41 HB2 GLN 41 0.424 25.027 -6.104 334 HB3 GLN 41 HB3 GLN 41 0.643 26.008 -4.673 335 HG2 GLN 41 HG2 GLN 41 1.853 27.571 -5.769 336 HG3 GLN 41 HG3 GLN 41 2.854 26.388 -6.606 337 HE21 GLN 41 HE21 GLN 41 1.685 28.887 -7.701 338 HE22 GLN 41 HE22 GLN 41 0.684 28.351 -9.035 339 H VAL 42 H VAL 42 4.585 23.898 -4.418 340 HA VAL 42 HA VAL 42 4.568 25.152 -1.701 341 HB VAL 42 HB VAL 42 6.484 23.733 -1.212 342 HG11 VAL 42 HG11 VAL 42 5.366 21.571 -1.109 343 HG12 VAL 42 HG12 VAL 42 4.196 22.856 -0.800 344 HG13 VAL 42 HG13 VAL 42 4.230 22.052 -2.384 345 HG21 VAL 42 HG21 VAL 42 7.311 21.951 -2.606 346 HG22 VAL 42 HG22 VAL 42 6.189 22.373 -3.911 347 HG23 VAL 42 HG23 VAL 42 7.511 23.484 -3.462 348 H LEU 43 H LEU 43 6.180 26.627 -1.099 349 HA LEU 43 HA LEU 43 7.653 27.936 -3.357 350 HB2 LEU 43 HB2 LEU 43 6.743 28.843 -0.594 351 HB3 LEU 43 HB3 LEU 43 8.089 29.636 -1.413 352 HG LEU 43 HG LEU 43 6.478 29.895 -3.413 353 HD11 LEU 43 HD11 LEU 43 4.096 30.135 -2.768 354 HD12 LEU 43 HD12 LEU 43 4.621 28.472 -2.502 355 HD13 LEU 43 HD13 LEU 43 4.461 29.576 -1.119 356 HD21 LEU 43 HD21 LEU 43 5.678 32.043 -2.535 357 HD22 LEU 43 HD22 LEU 43 6.101 31.544 -0.879 358 HD23 LEU 43 HD23 LEU 43 7.368 31.760 -2.105 359 H LEU 44 H LEU 44 9.843 28.514 -3.047 360 HA LEU 44 HA LEU 44 11.439 27.064 -0.992 361 HB2 LEU 44 HB2 LEU 44 11.731 26.889 -4.030 362 HB3 LEU 44 HB3 LEU 44 13.113 26.754 -2.967 363 HG LEU 44 HG LEU 44 11.818 24.868 -1.763 364 HD11 LEU 44 HD11 LEU 44 10.388 23.486 -3.281 365 HD12 LEU 44 HD12 LEU 44 9.618 25.008 -2.889 366 HD13 LEU 44 HD13 LEU 44 10.395 24.807 -4.461 367 HD21 LEU 44 HD21 LEU 44 12.775 23.210 -3.273 368 HD22 LEU 44 HD22 LEU 44 12.905 24.425 -4.563 369 HD23 LEU 44 HD23 LEU 44 13.878 24.569 -3.085 370 H LEU 45 H LEU 45 12.947 28.384 -0.130 371 HA LEU 45 HA LEU 45 14.041 30.710 -1.701 372 HB2 LEU 45 HB2 LEU 45 12.878 30.782 1.117 373 HB3 LEU 45 HB3 LEU 45 14.203 31.811 0.660 374 HG LEU 45 HG LEU 45 12.827 32.862 -1.116 375 HD11 LEU 45 HD11 LEU 45 10.369 32.735 -0.945 376 HD12 LEU 45 HD12 LEU 45 11.016 31.181 -1.400 377 HD13 LEU 45 HD13 LEU 45 10.521 31.446 0.262 378 HD21 LEU 45 HD21 LEU 45 11.470 34.161 0.641 379 HD22 LEU 45 HD22 LEU 45 12.014 32.969 1.818 380 HD23 LEU 45 HD23 LEU 45 13.197 33.989 0.985 381 H GLY 46 H GLY 46 16.159 30.221 -1.884 382 HA2 GLY 46 HA2 GLY 46 18.324 29.746 -1.338 383 HA3 GLY 46 HA3 GLY 46 17.889 30.383 0.254 384 H SER 47 H SER 47 17.193 27.357 -1.571 385 HA SER 47 HA SER 47 17.240 25.203 -1.068 386 HB2 SER 47 HB2 SER 47 19.396 25.743 0.977 387 HB3 SER 47 HB3 SER 47 19.057 24.225 0.121 388 HG SER 47 HG SER 47 20.790 25.406 -0.816 389 H LYS 48 H LYS 48 15.592 27.115 0.767 390 HA LYS 48 HA LYS 48 14.876 25.061 2.832 391 HB2 LYS 48 HB2 LYS 48 14.734 26.714 4.334 392 HB3 LYS 48 HB3 LYS 48 15.587 27.732 3.186 393 HG2 LYS 48 HG2 LYS 48 13.180 28.385 2.326 394 HG3 LYS 48 HG3 LYS 48 12.629 27.620 3.819 395 HD2 LYS 48 HD2 LYS 48 14.727 29.402 4.626 396 HD3 LYS 48 HD3 LYS 48 13.814 30.247 3.377 397 HE2 LYS 48 HE2 LYS 48 12.598 30.857 5.241 398 HE3 LYS 48 HE3 LYS 48 11.705 29.415 4.691 399 HZ1 LYS 48 HZ1 LYS 48 12.073 29.290 7.019 400 HZ2 LYS 48 HZ2 LYS 48 12.963 28.113 6.282 401 HZ3 LYS 48 HZ3 LYS 48 13.706 29.482 6.845 402 H ILE 49 H ILE 49 12.489 25.051 3.374 403 HA ILE 49 HA ILE 49 10.748 25.422 0.950 404 HB ILE 49 HB ILE 49 10.259 23.779 3.474 405 HG12 ILE 49 HG12 ILE 49 11.972 22.704 2.038 406 HG13 ILE 49 HG13 ILE 49 10.504 21.765 2.210 407 HG21 ILE 49 HG21 ILE 49 8.286 22.874 2.178 408 HG22 ILE 49 HG22 ILE 49 8.138 24.577 2.645 409 HG23 ILE 49 HG23 ILE 49 8.566 24.151 0.975 410 HD11 ILE 49 HD11 ILE 49 11.473 21.765 -0.104 411 HD12 ILE 49 HD12 ILE 49 9.788 22.303 -0.038 412 HD13 ILE 49 HD13 ILE 49 11.093 23.490 -0.224 413 H LEU 50 H LEU 50 9.320 27.016 0.974 414 HA LEU 50 HA LEU 50 8.623 28.419 3.533 415 HB2 LEU 50 HB2 LEU 50 8.971 29.302 0.743 416 HB3 LEU 50 HB3 LEU 50 7.351 29.647 1.297 417 HG LEU 50 HG LEU 50 8.840 31.532 1.550 418 HD11 LEU 50 HD11 LEU 50 8.128 32.239 3.687 419 HD12 LEU 50 HD12 LEU 50 6.882 31.222 2.966 420 HD13 LEU 50 HD13 LEU 50 7.928 30.559 4.261 421 HD21 LEU 50 HD21 LEU 50 10.600 31.599 3.207 422 HD22 LEU 50 HD22 LEU 50 10.180 29.966 3.769 423 HD23 LEU 50 HD23 LEU 50 10.912 30.185 2.167 424 H LYS 51 H LYS 51 6.706 28.165 4.340 425 HA LYS 51 HA LYS 51 4.679 26.419 3.119 426 HB2 LYS 51 HB2 LYS 51 5.029 25.963 5.391 427 HB3 LYS 51 HB3 LYS 51 5.102 27.640 5.870 428 HG2 LYS 51 HG2 LYS 51 3.039 26.604 6.664 429 HG3 LYS 51 HG3 LYS 51 2.725 27.939 5.562 430 HD2 LYS 51 HD2 LYS 51 2.442 26.081 3.723 431 HD3 LYS 51 HD3 LYS 51 2.405 24.947 5.073 432 HE2 LYS 51 HE2 LYS 51 0.274 25.493 5.567 433 HE3 LYS 51 HE3 LYS 51 0.703 27.210 5.700 434 HZ1 LYS 51 HZ1 LYS 51 -0.909 26.916 4.005 435 HZ2 LYS 51 HZ2 LYS 51 0.513 27.359 3.290 436 HZ3 LYS 51 HZ3 LYS 51 0.017 25.801 3.202 437 HA PRO 52 HA PRO 52 2.086 30.391 3.113 438 HB2 PRO 52 HB3 PRO 52 2.926 32.830 3.920 439 HB3 PRO 52 HB2 PRO 52 2.506 31.550 5.109 440 HG2 PRO 52 HG3 PRO 52 5.262 32.192 3.999 441 HG3 PRO 52 HG2 PRO 52 4.797 32.157 5.710 442 HD2 PRO 52 HD3 PRO 52 5.859 29.947 4.647 443 HD3 PRO 52 HD2 PRO 52 4.427 29.800 5.706 444 H ARG 53 H ARG 53 1.814 32.270 1.710 445 HA ARG 53 HA ARG 53 3.259 31.931 -0.781 446 HB2 ARG 53 HB2 ARG 53 1.017 33.892 -0.031 447 HB3 ARG 53 HB3 ARG 53 1.491 33.396 -1.638 448 HG2 ARG 53 HG2 ARG 53 -0.295 32.011 -1.433 449 HG3 ARG 53 HG3 ARG 53 0.882 30.935 -0.662 450 HD2 ARG 53 HD2 ARG 53 0.148 31.750 1.575 451 HD3 ARG 53 HD3 ARG 53 -0.941 32.917 0.804 452 HE ARG 53 HE ARG 53 -1.623 30.363 -0.149 453 HH11 ARG 53 HH11 ARG 53 -1.744 32.112 2.915 454 HH12 ARG 53 HH12 ARG 53 -3.182 31.310 3.453 455 HH21 ARG 53 HH21 ARG 53 -3.509 29.361 0.583 456 HH22 ARG 53 HH22 ARG 53 -4.167 29.744 2.139 457 H ARG 54 H ARG 54 3.060 34.333 1.749 458 HA ARG 54 HA ARG 54 4.524 36.445 0.334 459 HB2 ARG 54 HB2 ARG 54 3.942 37.745 2.270 460 HB3 ARG 54 HB3 ARG 54 2.547 36.752 1.926 461 HG2 ARG 54 HG2 ARG 54 2.575 35.972 4.061 462 HG3 ARG 54 HG3 ARG 54 4.089 35.173 3.743 463 HD2 ARG 54 HD2 ARG 54 5.028 37.698 4.149 464 HD3 ARG 54 HD3 ARG 54 3.552 37.791 5.106 465 HE ARG 54 HE ARG 54 6.004 36.341 5.670 466 HH11 ARG 54 HH11 ARG 54 2.574 36.359 6.468 467 HH12 ARG 54 HH12 ARG 54 2.824 35.768 8.074 468 HH21 ARG 54 HH21 ARG 54 6.298 35.707 7.733 469 HH22 ARG 54 HH22 ARG 54 4.949 35.421 8.789 470 H SER 55 H SER 55 6.231 37.541 1.937 471 HA SER 55 HA SER 55 8.343 35.476 2.389 472 HB2 SER 55 HB2 SER 55 8.663 38.495 2.084 473 HB3 SER 55 HB3 SER 55 9.926 37.249 2.037 474 HG SER 55 HG SER 55 9.264 37.867 -0.063 475 H LEU 56 H LEU 56 7.676 38.699 3.936 476 HA LEU 56 HA LEU 56 8.059 37.460 6.615 477 HB2 LEU 56 HB2 LEU 56 9.180 39.868 7.038 478 HB3 LEU 56 HB3 LEU 56 10.057 38.386 6.778 479 HG LEU 56 HG LEU 56 9.399 40.078 4.358 480 HD11 LEU 56 HD11 LEU 56 11.461 41.393 4.703 481 HD12 LEU 56 HD12 LEU 56 10.262 41.719 5.963 482 HD13 LEU 56 HD13 LEU 56 11.652 40.671 6.313 483 HD21 LEU 56 HD21 LEU 56 11.500 39.165 3.526 484 HD22 LEU 56 HD22 LEU 56 11.921 38.527 5.129 485 HD23 LEU 56 HD23 LEU 56 10.600 37.801 4.213 486 H SER 57 H SER 57 7.186 40.588 5.265 487 HA SER 57 HA SER 57 6.031 42.380 5.933 488 HB2 SER 57 HB2 SER 57 3.666 41.997 5.829 489 HB3 SER 57 HB3 SER 57 4.391 40.841 4.733 490 HG SER 57 HG SER 57 2.668 40.035 6.097 491 H SER 58 H SER 58 3.902 42.713 7.731 492 HA SER 58 HA SER 58 3.558 43.377 9.814 493 HB2 SER 58 HB2 SER 58 3.108 40.908 9.821 494 HB3 SER 58 HB3 SER 58 4.640 40.708 10.708 495 HG SER 58 HG SER 58 2.863 40.901 12.128 496 H TYR 59 H TYR 59 6.466 43.791 8.828 497 HA TYR 59 HA TYR 59 7.988 43.845 11.345 498 HB2 TYR 59 HB2 TYR 59 8.889 42.993 9.155 499 HB3 TYR 59 HB3 TYR 59 8.758 44.617 8.487 500 HD1 TYR 59 HD1 TYR 59 10.600 42.429 10.820 501 HD2 TYR 59 HD2 TYR 59 10.313 46.410 9.188 502 HE1 TYR 59 HE1 TYR 59 12.836 42.981 11.767 503 HE2 TYR 59 HE2 TYR 59 12.540 46.962 10.134 504 HH TYR 59 HH TYR 59 14.305 46.223 11.390 505 H GLY 60 H GLY 60 6.439 46.198 9.164 506 HA2 GLY 60 HA2 GLY 60 5.774 48.336 10.197 507 HA3 GLY 60 HA3 GLY 60 7.402 48.470 10.866 508 H ILE 61 H ILE 61 6.255 47.520 7.583 509 HA ILE 61 HA ILE 61 7.720 49.849 6.411 510 HB ILE 61 HB ILE 61 7.652 48.277 4.295 511 HG12 ILE 61 HG12 ILE 61 8.127 45.932 4.678 512 HG13 ILE 61 HG13 ILE 61 7.847 46.090 6.411 513 HG21 ILE 61 HG21 ILE 61 9.922 47.524 4.839 514 HG22 ILE 61 HG22 ILE 61 9.656 49.185 5.384 515 HG23 ILE 61 HG23 ILE 61 9.630 47.853 6.562 516 HD11 ILE 61 HD11 ILE 61 5.981 44.996 5.274 517 HD12 ILE 61 HD12 ILE 61 5.449 46.510 5.991 518 HD13 ILE 61 HD13 ILE 61 5.730 46.412 4.240 519 H ASP 62 H ASP 62 6.790 50.819 4.619 520 HA ASP 62 HA ASP 62 3.899 50.430 4.050 521 HB2 ASP 62 HB2 ASP 62 5.219 52.793 5.387 522 HB3 ASP 62 HB3 ASP 62 4.119 53.175 4.073 523 H LYS 63 H LYS 63 7.082 51.719 3.071 524 HA LYS 63 HA LYS 63 6.270 52.818 0.578 525 HB2 LYS 63 HB2 LYS 63 8.629 52.658 -0.048 526 HB3 LYS 63 HB3 LYS 63 8.502 53.270 1.594 527 HG2 LYS 63 HG2 LYS 63 9.251 51.095 2.510 528 HG3 LYS 63 HG3 LYS 63 9.197 50.379 0.898 529 HD2 LYS 63 HD2 LYS 63 11.440 50.790 1.009 530 HD3 LYS 63 HD3 LYS 63 10.898 52.278 0.248 531 HE2 LYS 63 HE2 LYS 63 12.348 53.069 1.862 532 HE3 LYS 63 HE3 LYS 63 10.774 53.242 2.679 533 HZ1 LYS 63 HZ1 LYS 63 12.448 52.220 4.094 534 HZ2 LYS 63 HZ2 LYS 63 11.241 51.130 3.798 535 HZ3 LYS 63 HZ3 LYS 63 12.689 51.004 3.019 536 H GLU 64 H GLU 64 6.308 51.939 -1.519 537 HA GLU 64 HA GLU 64 5.477 49.215 -1.765 538 HB2 GLU 64 HB2 GLU 64 5.433 49.678 -4.187 539 HB3 GLU 64 HB3 GLU 64 4.572 50.863 -3.235 540 HG2 GLU 64 HG2 GLU 64 7.156 52.004 -3.543 541 HG3 GLU 64 HG3 GLU 64 6.844 51.203 -5.081 542 H LYS 65 H LYS 65 6.695 47.460 -1.973 543 HA LYS 65 HA LYS 65 9.472 47.561 -2.997 544 HB2 LYS 65 HB2 LYS 65 8.886 47.584 -0.211 545 HB3 LYS 65 HB3 LYS 65 9.239 45.913 -0.526 546 HG2 LYS 65 HG2 LYS 65 11.217 47.712 -1.803 547 HG3 LYS 65 HG3 LYS 65 11.057 48.013 -0.077 548 HD2 LYS 65 HD2 LYS 65 11.460 45.546 0.338 549 HD3 LYS 65 HD3 LYS 65 11.720 45.347 -1.397 550 HE2 LYS 65 HE2 LYS 65 13.900 45.642 -0.740 551 HE3 LYS 65 HE3 LYS 65 13.461 47.327 -1.067 552 HZ1 LYS 65 HZ1 LYS 65 14.568 47.137 1.034 553 HZ2 LYS 65 HZ2 LYS 65 12.983 47.535 1.330 554 HZ3 LYS 65 HZ3 LYS 65 13.519 45.993 1.567 555 H THR 66 H THR 66 9.415 46.225 -4.586 556 HA THR 66 HA THR 66 7.758 43.773 -4.571 557 HB THR 66 HB THR 66 7.754 45.223 -6.556 558 HG1 THR 66 HG1 THR 66 8.151 43.554 -8.002 559 HG21 THR 66 HG21 THR 66 9.668 45.343 -8.099 560 HG22 THR 66 HG22 THR 66 10.041 46.146 -6.574 561 HG23 THR 66 HG23 THR 66 10.707 44.531 -6.907 562 H ILE 67 H ILE 67 8.708 41.725 -5.051 563 HA ILE 67 HA ILE 67 11.555 41.273 -4.496 564 HB ILE 67 HB ILE 67 9.955 39.427 -2.880 565 HG12 ILE 67 HG12 ILE 67 9.708 42.324 -1.937 566 HG13 ILE 67 HG13 ILE 67 8.394 41.275 -2.475 567 HG21 ILE 67 HG21 ILE 67 11.680 39.874 -1.233 568 HG22 ILE 67 HG22 ILE 67 12.417 39.773 -2.828 569 HG23 ILE 67 HG23 ILE 67 12.152 41.361 -2.082 570 HD11 ILE 67 HD11 ILE 67 8.305 41.260 -0.122 571 HD12 ILE 67 HD12 ILE 67 9.031 39.708 -0.559 572 HD13 ILE 67 HD13 ILE 67 10.051 41.031 0.053 573 H HIS 68 H HIS 68 12.207 39.172 -5.208 574 HA HIS 68 HA HIS 68 10.151 37.557 -6.652 575 HB2 HIS 68 HB2 HIS 68 11.566 39.227 -8.107 576 HB3 HIS 68 HB3 HIS 68 12.890 38.090 -7.875 577 HD2 HIS 68 HD2 HIS 68 11.907 38.589 -10.754 578 HE1 HIS 68 HE1 HIS 68 9.420 35.140 -10.513 579 HE2 HIS 68 HE2 HIS 68 10.476 36.835 -12.095 580 H LEU 69 H LEU 69 10.292 35.504 -6.198 581 HA LEU 69 HA LEU 69 12.623 34.363 -4.708 582 HB2 LEU 69 HB2 LEU 69 9.802 33.643 -3.927 583 HB3 LEU 69 HB3 LEU 69 11.266 33.612 -2.995 584 HG LEU 69 HG LEU 69 10.714 36.407 -3.491 585 HD11 LEU 69 HD11 LEU 69 8.448 36.595 -2.493 586 HD12 LEU 69 HD12 LEU 69 8.401 35.799 -4.065 587 HD13 LEU 69 HD13 LEU 69 8.257 34.832 -2.583 588 HD21 LEU 69 HD21 LEU 69 10.618 36.653 -1.206 589 HD22 LEU 69 HD22 LEU 69 10.086 34.990 -0.928 590 HD23 LEU 69 HD23 LEU 69 11.753 35.336 -1.458 591 H THR 70 H THR 70 12.360 31.827 -4.643 592 HA THR 70 HA THR 70 11.246 30.972 -7.279 593 HB THR 70 HB THR 70 12.544 28.913 -7.031 594 HG1 THR 70 HG1 THR 70 14.199 28.839 -5.506 595 HG21 THR 70 HG21 THR 70 14.801 29.908 -7.353 596 HG22 THR 70 HG22 THR 70 13.554 30.724 -8.284 597 HG23 THR 70 HG23 THR 70 14.174 31.472 -6.796 598 H LEU 71 H LEU 71 10.164 28.963 -7.463 599 HA LEU 71 HA LEU 71 8.551 27.921 -5.266 600 HB2 LEU 71 HB2 LEU 71 7.295 29.893 -5.713 601 HB3 LEU 71 HB3 LEU 71 7.475 29.733 -7.455 602 HG LEU 71 HG LEU 71 5.921 27.590 -6.029 603 HD11 LEU 71 HD11 LEU 71 3.859 28.832 -6.043 604 HD12 LEU 71 HD12 LEU 71 5.020 29.704 -5.051 605 HD13 LEU 71 HD13 LEU 71 4.664 30.263 -6.689 606 HD21 LEU 71 HD21 LEU 71 4.520 27.804 -8.109 607 HD22 LEU 71 HD22 LEU 71 5.580 29.099 -8.680 608 HD23 LEU 71 HD23 LEU 71 6.205 27.459 -8.505 609 H LYS 72 H LYS 72 7.398 26.026 -5.948 610 HA LYS 72 HA LYS 72 7.863 24.940 -8.657 611 HB2 LYS 72 HB2 LYS 72 9.931 24.386 -7.348 612 HB3 LYS 72 HB3 LYS 72 8.936 23.616 -6.121 613 HG2 LYS 72 HG2 LYS 72 8.161 22.385 -8.566 614 HG3 LYS 72 HG3 LYS 72 9.901 22.588 -8.708 615 HD2 LYS 72 HD2 LYS 72 8.481 21.239 -6.375 616 HD3 LYS 72 HD3 LYS 72 9.218 20.406 -7.747 617 HE2 LYS 72 HE2 LYS 72 11.212 22.164 -6.700 618 HE3 LYS 72 HE3 LYS 72 10.440 21.396 -5.300 619 HZ1 LYS 72 HZ1 LYS 72 12.277 20.087 -6.134 620 HZ2 LYS 72 HZ2 LYS 72 10.862 19.253 -6.317 621 HZ3 LYS 72 HZ3 LYS 72 11.586 19.969 -7.623 622 H VAL 73 H VAL 73 5.977 24.041 -9.231 623 HA VAL 73 HA VAL 73 4.105 23.006 -7.151 624 HB VAL 73 HB VAL 73 2.600 24.267 -8.093 625 HG11 VAL 73 HG11 VAL 73 2.811 25.640 -10.107 626 HG12 VAL 73 HG12 VAL 73 4.208 25.816 -9.048 627 HG13 VAL 73 HG13 VAL 73 4.325 24.832 -10.525 628 HG21 VAL 73 HG21 VAL 73 1.473 23.685 -10.154 629 HG22 VAL 73 HG22 VAL 73 2.862 22.726 -10.698 630 HG23 VAL 73 HG23 VAL 73 1.904 22.215 -9.293 631 H VAL 74 H VAL 74 3.449 21.013 -7.170 632 HA VAL 74 HA VAL 74 4.040 19.074 -9.283 633 HB VAL 74 HB VAL 74 5.279 18.820 -6.497 634 HG11 VAL 74 HG11 VAL 74 6.333 16.728 -7.409 635 HG12 VAL 74 HG12 VAL 74 4.599 16.614 -7.244 636 HG13 VAL 74 HG13 VAL 74 5.301 16.883 -8.849 637 HG21 VAL 74 HG21 VAL 74 7.457 18.712 -7.634 638 HG22 VAL 74 HG22 VAL 74 6.661 19.132 -9.167 639 HG23 VAL 74 HG23 VAL 74 6.663 20.279 -7.807 640 H LYS 75 H LYS 75 2.785 17.177 -8.970 641 HA LYS 75 HA LYS 75 0.970 15.939 -8.505 642 HB2 LYS 75 HB2 LYS 75 1.559 16.802 -5.651 643 HB3 LYS 75 HB3 LYS 75 0.368 15.594 -6.087 644 HG2 LYS 75 HG2 LYS 75 2.988 15.065 -7.345 645 HG3 LYS 75 HG3 LYS 75 3.090 15.140 -5.585 646 HD2 LYS 75 HD2 LYS 75 1.263 13.454 -5.418 647 HD3 LYS 75 HD3 LYS 75 1.234 13.330 -7.191 648 HE2 LYS 75 HE2 LYS 75 3.613 12.727 -5.369 649 HE3 LYS 75 HE3 LYS 75 2.577 11.515 -6.141 650 HZ1 LYS 75 HZ1 LYS 75 4.650 11.905 -7.313 651 HZ2 LYS 75 HZ2 LYS 75 3.332 12.289 -8.267 652 HZ3 LYS 75 HZ3 LYS 75 4.246 13.470 -7.568 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 0.816 44.945 -1.580 2 H2 LEU 1 H2 LEU 1 1.958 44.160 -0.739 3 H3 LEU 1 H3 LEU 1 1.898 45.811 -0.693 4 HA LEU 1 HA LEU 1 2.443 45.984 -3.027 5 HB2 LEU 1 HB2 LEU 1 4.551 44.176 -1.772 6 HB3 LEU 1 HB3 LEU 1 4.758 45.485 -2.907 7 HG LEU 1 HG LEU 1 3.942 45.787 0.017 8 HD11 LEU 1 HD11 LEU 1 6.171 46.746 0.318 9 HD12 LEU 1 HD12 LEU 1 6.294 45.095 -0.305 10 HD13 LEU 1 HD13 LEU 1 6.539 46.451 -1.395 11 HD21 LEU 1 HD21 LEU 1 4.338 48.217 -0.421 12 HD22 LEU 1 HD22 LEU 1 4.484 47.848 -2.152 13 HD23 LEU 1 HD23 LEU 1 2.952 47.608 -1.306 14 H CYS 2 H CYS 2 4.157 44.068 -4.400 15 HA CYS 2 HA CYS 2 2.477 41.623 -4.647 16 HB2 CYS 2 HB2 CYS 2 2.815 41.693 -7.078 17 HB3 CYS 2 HB3 CYS 2 1.858 43.057 -6.522 18 HG CYS 2 HG CYS 2 3.344 43.859 -8.475 19 H VAL 3 H VAL 3 3.675 39.777 -5.375 20 HA VAL 3 HA VAL 3 6.653 40.042 -5.273 21 HB VAL 3 HB VAL 3 6.985 38.275 -3.847 22 HG11 VAL 3 HG11 VAL 3 6.114 38.795 -1.755 23 HG12 VAL 3 HG12 VAL 3 6.000 40.317 -2.679 24 HG13 VAL 3 HG13 VAL 3 4.561 39.316 -2.411 25 HG21 VAL 3 HG21 VAL 3 5.299 36.736 -2.865 26 HG22 VAL 3 HG22 VAL 3 4.071 37.438 -3.935 27 HG23 VAL 3 HG23 VAL 3 5.460 36.546 -4.601 28 H HIS 4 H HIS 4 7.692 38.489 -6.469 29 HA HIS 4 HA HIS 4 6.033 37.283 -8.638 30 HB2 HIS 4 HB2 HIS 4 8.981 38.160 -8.587 31 HB3 HIS 4 HB3 HIS 4 8.103 37.548 -9.976 32 HD2 HIS 4 HD2 HIS 4 9.571 40.307 -10.140 33 HE1 HIS 4 HE1 HIS 4 5.694 42.078 -9.850 34 HE2 HIS 4 HE2 HIS 4 8.114 42.463 -10.578 35 H VAL 5 H VAL 5 6.709 35.261 -9.417 36 HA VAL 5 HA VAL 5 8.264 33.525 -7.570 37 HB VAL 5 HB VAL 5 6.341 31.871 -8.061 38 HG11 VAL 5 HG11 VAL 5 5.172 32.551 -6.078 39 HG12 VAL 5 HG12 VAL 5 6.899 32.854 -5.857 40 HG13 VAL 5 HG13 VAL 5 5.787 34.209 -6.214 41 HG21 VAL 5 HG21 VAL 5 4.073 32.811 -8.250 42 HG22 VAL 5 HG22 VAL 5 4.726 34.421 -8.524 43 HG23 VAL 5 HG23 VAL 5 4.998 33.107 -9.701 44 H ARG 6 H ARG 6 9.553 32.251 -8.502 45 HA ARG 6 HA ARG 6 9.924 32.200 -11.424 46 HB2 ARG 6 HB2 ARG 6 11.479 30.856 -9.158 47 HB3 ARG 6 HB3 ARG 6 12.052 30.954 -10.789 48 HG2 ARG 6 HG2 ARG 6 11.492 33.530 -9.340 49 HG3 ARG 6 HG3 ARG 6 12.908 32.615 -8.861 50 HD2 ARG 6 HD2 ARG 6 12.512 33.094 -11.800 51 HD3 ARG 6 HD3 ARG 6 12.986 34.463 -10.788 52 HE ARG 6 HE ARG 6 14.806 32.740 -9.954 53 HH11 ARG 6 HH11 ARG 6 13.921 33.408 -13.276 54 HH12 ARG 6 HH12 ARG 6 15.543 33.190 -13.863 55 HH21 ARG 6 HH21 ARG 6 16.863 32.515 -10.740 56 HH22 ARG 6 HH22 ARG 6 17.181 32.691 -12.429 57 H SER 7 H SER 7 10.736 29.823 -12.139 58 HA SER 7 HA SER 7 10.161 27.777 -12.690 59 HB2 SER 7 HB2 SER 7 9.936 27.471 -10.114 60 HB3 SER 7 HB3 SER 7 8.226 27.202 -10.555 61 HG SER 7 HG SER 7 9.336 25.285 -10.649 62 H GLU 8 H GLU 8 7.840 26.339 -13.005 63 HA GLU 8 HA GLU 8 6.186 28.095 -14.739 64 HB2 GLU 8 HB2 GLU 8 6.118 25.139 -13.895 65 HB3 GLU 8 HB3 GLU 8 4.787 25.889 -14.771 66 HG2 GLU 8 HG2 GLU 8 6.370 26.557 -16.579 67 HG3 GLU 8 HG3 GLU 8 7.640 25.658 -15.750 68 H GLU 9 H GLU 9 4.469 29.155 -14.053 69 HA GLU 9 HA GLU 9 2.735 28.105 -11.963 70 HB2 GLU 9 HB2 GLU 9 4.750 29.871 -11.182 71 HB3 GLU 9 HB3 GLU 9 3.438 30.990 -11.488 72 HG2 GLU 9 HG2 GLU 9 2.040 30.041 -9.842 73 HG3 GLU 9 HG3 GLU 9 2.827 28.483 -9.923 74 H TRP 10 H TRP 10 0.703 28.711 -12.220 75 HA TRP 10 HA TRP 10 -0.044 30.268 -14.624 76 HB2 TRP 10 HB2 TRP 10 -2.178 29.115 -14.389 77 HB3 TRP 10 HB3 TRP 10 -0.885 27.942 -14.376 78 HD1 TRP 10 HD1 TRP 10 -3.196 29.771 -11.874 79 HE1 TRP 10 HE1 TRP 10 -3.633 28.270 -9.848 80 HE3 TRP 10 HE3 TRP 10 -0.287 25.763 -13.178 81 HZ2 TRP 10 HZ2 TRP 10 -2.915 25.614 -8.951 82 HZ3 TRP 10 HZ3 TRP 10 -0.263 23.723 -11.759 83 HH2 TRP 10 HH2 TRP 10 -1.562 23.643 -9.639 84 H ASP 11 H ASP 11 0.151 30.696 -11.222 85 HA ASP 11 HA ASP 11 -1.748 32.986 -11.320 86 HB2 ASP 11 HB2 ASP 11 -2.569 30.939 -10.003 87 HB3 ASP 11 HB3 ASP 11 -1.228 31.204 -8.897 88 H LEU 12 H LEU 12 -1.173 34.737 -10.043 89 HA LEU 12 HA LEU 12 1.778 34.995 -9.562 90 HB2 LEU 12 HB2 LEU 12 -0.331 37.203 -9.846 91 HB3 LEU 12 HB3 LEU 12 1.409 37.391 -9.836 92 HG LEU 12 HG LEU 12 -0.241 36.084 -12.036 93 HD11 LEU 12 HD11 LEU 12 0.378 38.036 -13.360 94 HD12 LEU 12 HD12 LEU 12 -0.468 38.538 -11.888 95 HD13 LEU 12 HD13 LEU 12 1.299 38.717 -11.986 96 HD21 LEU 12 HD21 LEU 12 1.839 36.029 -13.349 97 HD22 LEU 12 HD22 LEU 12 2.766 36.639 -11.947 98 HD23 LEU 12 HD23 LEU 12 1.989 35.036 -11.902 99 H MET 13 H MET 13 2.455 35.719 -7.574 100 HA MET 13 HA MET 13 0.494 35.523 -5.364 101 HB2 MET 13 HB2 MET 13 3.560 35.570 -5.450 102 HB3 MET 13 HB3 MET 13 2.616 35.394 -3.978 103 HG2 MET 13 HG2 MET 13 2.851 33.432 -6.252 104 HG3 MET 13 HG3 MET 13 3.439 33.255 -4.608 105 HE1 MET 13 HE1 MET 13 -0.334 31.630 -6.277 106 HE2 MET 13 HE2 MET 13 0.441 33.007 -7.058 107 HE3 MET 13 HE3 MET 13 1.363 31.528 -6.756 108 H THR 14 H THR 14 1.000 37.055 -3.494 109 HA THR 14 HA THR 14 1.685 39.816 -4.347 110 HB THR 14 HB THR 14 -0.715 39.465 -4.839 111 HG1 THR 14 HG1 THR 14 -1.379 41.268 -3.612 112 HG21 THR 14 HG21 THR 14 -2.384 39.330 -3.038 113 HG22 THR 14 HG22 THR 14 -1.415 37.857 -3.104 114 HG23 THR 14 HG23 THR 14 -1.104 39.065 -1.837 115 H PHE 15 H PHE 15 2.031 41.242 -2.521 116 HA PHE 15 HA PHE 15 3.086 39.709 -0.195 117 HB2 PHE 15 HB2 PHE 15 4.427 41.584 -1.547 118 HB3 PHE 15 HB3 PHE 15 3.465 42.690 -0.615 119 HD1 PHE 15 HD2 PHE 15 3.416 42.157 2.080 120 HD2 PHE 15 HD1 PHE 15 6.538 41.094 -0.680 121 HE1 PHE 15 HE2 PHE 15 5.053 42.040 3.942 122 HE2 PHE 15 HE1 PHE 15 8.154 40.947 1.180 123 HZ PHE 15 HZ PHE 15 7.415 41.400 3.511 124 H ASP 16 H ASP 16 1.376 39.367 0.998 125 HA ASP 16 HA ASP 16 0.071 41.531 2.486 126 HB2 ASP 16 HB2 ASP 16 -1.218 40.097 0.240 127 HB3 ASP 16 HB3 ASP 16 -2.019 39.706 1.738 128 H ALA 17 H ALA 17 -1.093 40.734 4.282 129 HA ALA 17 HA ALA 17 -0.758 37.927 5.148 130 HB1 ALA 17 HB1 ALA 17 0.298 38.708 7.315 131 HB2 ALA 17 HB2 ALA 17 1.367 38.880 5.922 132 HB3 ALA 17 HB3 ALA 17 0.552 40.297 6.610 133 H ASN 18 H ASN 18 -2.364 37.363 6.334 134 HA ASN 18 HA ASN 18 -4.448 39.299 7.149 135 HB2 ASN 18 HB2 ASN 18 -4.371 36.445 6.161 136 HB3 ASN 18 HB3 ASN 18 -5.463 36.726 7.490 137 HD21 ASN 18 HD21 ASN 18 -7.496 36.813 6.651 138 HD22 ASN 18 HD22 ASN 18 -7.902 37.870 5.297 139 HA PRO 19 HA PRO 19 -3.619 38.463 11.447 140 HB2 PRO 19 HB3 PRO 19 -6.043 38.799 12.630 141 HB3 PRO 19 HB2 PRO 19 -5.186 40.135 11.814 142 HG2 PRO 19 HG3 PRO 19 -7.386 38.371 10.669 143 HG3 PRO 19 HG2 PRO 19 -7.289 40.169 10.668 144 HD2 PRO 19 HD3 PRO 19 -6.481 38.671 8.534 145 HD3 PRO 19 HD2 PRO 19 -5.633 40.172 8.994 146 H TYR 20 H TYR 20 -2.949 36.327 10.846 147 HA TYR 20 HA TYR 20 -4.811 34.162 11.824 148 HB2 TYR 20 HB2 TYR 20 -2.846 34.319 9.543 149 HB3 TYR 20 HB3 TYR 20 -2.811 32.840 10.452 150 HD1 TYR 20 HD2 TYR 20 -5.201 31.815 11.091 151 HD2 TYR 20 HD1 TYR 20 -4.265 34.232 7.643 152 HE1 TYR 20 HE2 TYR 20 -7.094 30.796 9.871 153 HE2 TYR 20 HE1 TYR 20 -6.189 33.193 6.411 154 HH TYR 20 HH TYR 20 -8.258 30.723 7.910 155 H ASP 21 H ASP 21 -1.335 33.602 11.536 156 HA ASP 21 HA ASP 21 -0.776 34.617 14.152 157 HB2 ASP 21 HB2 ASP 21 -1.717 31.932 13.985 158 HB3 ASP 21 HB3 ASP 21 0.012 31.766 14.159 159 H SER 22 H SER 22 1.598 34.018 14.666 160 HA SER 22 HA SER 22 3.358 34.161 12.310 161 HB2 SER 22 HB2 SER 22 4.030 34.336 15.271 162 HB3 SER 22 HB3 SER 22 5.129 34.656 13.923 163 HG SER 22 HG SER 22 4.000 36.514 14.947 164 H VAL 23 H VAL 23 2.777 32.069 15.128 165 HA VAL 23 HA VAL 23 4.720 30.076 14.322 166 HB VAL 23 HB VAL 23 3.809 28.731 16.166 167 HG11 VAL 23 HG11 VAL 23 4.678 30.135 17.960 168 HG12 VAL 23 HG12 VAL 23 5.680 30.289 16.512 169 HG13 VAL 23 HG13 VAL 23 4.528 31.579 16.952 170 HG21 VAL 23 HG21 VAL 23 2.223 29.689 17.772 171 HG22 VAL 23 HG22 VAL 23 1.992 31.115 16.758 172 HG23 VAL 23 HG23 VAL 23 1.460 29.519 16.199 173 H LEU 24 H LEU 24 1.322 30.643 13.662 174 HA LEU 24 HA LEU 24 0.638 28.004 12.883 175 HB2 LEU 24 HB2 LEU 24 -1.007 29.756 13.376 176 HB3 LEU 24 HB3 LEU 24 -0.498 30.652 11.935 177 HG LEU 24 HG LEU 24 -1.327 28.750 10.516 178 HD11 LEU 24 HD11 LEU 24 -2.819 27.066 11.530 179 HD12 LEU 24 HD12 LEU 24 -1.173 26.893 12.149 180 HD13 LEU 24 HD13 LEU 24 -2.419 27.674 13.155 181 HD21 LEU 24 HD21 LEU 24 -3.717 29.212 10.852 182 HD22 LEU 24 HD22 LEU 24 -3.350 29.962 12.426 183 HD23 LEU 24 HD23 LEU 24 -2.731 30.677 10.930 184 H LYS 25 H LYS 25 2.654 30.368 11.248 185 HA LYS 25 HA LYS 25 2.304 29.189 8.593 186 HB2 LYS 25 HB2 LYS 25 3.932 31.397 9.755 187 HB3 LYS 25 HB3 LYS 25 4.824 30.437 8.590 188 HG2 LYS 25 HG2 LYS 25 3.914 31.849 7.125 189 HG3 LYS 25 HG3 LYS 25 2.621 30.681 7.109 190 HD2 LYS 25 HD2 LYS 25 1.377 32.607 7.394 191 HD3 LYS 25 HD3 LYS 25 1.705 32.265 9.107 192 HE2 LYS 25 HE2 LYS 25 3.884 33.659 8.749 193 HE3 LYS 25 HE3 LYS 25 3.176 34.167 7.213 194 HZ1 LYS 25 HZ1 LYS 25 2.661 35.766 8.949 195 HZ2 LYS 25 HZ2 LYS 25 1.257 35.019 8.532 196 HZ3 LYS 25 HZ3 LYS 25 2.008 34.602 9.923 197 H ILE 26 H ILE 26 4.830 28.836 11.108 198 HA ILE 26 HA ILE 26 6.262 26.810 9.582 199 HB ILE 26 HB ILE 26 7.539 28.050 11.091 200 HG12 ILE 26 HG12 ILE 26 7.999 25.551 10.899 201 HG13 ILE 26 HG13 ILE 26 8.817 26.487 12.129 202 HG21 ILE 26 HG21 ILE 26 7.284 28.127 13.531 203 HG22 ILE 26 HG22 ILE 26 5.951 28.897 12.685 204 HG23 ILE 26 HG23 ILE 26 5.737 27.288 13.403 205 HD11 ILE 26 HD11 ILE 26 8.158 24.275 12.954 206 HD12 ILE 26 HD12 ILE 26 7.410 25.566 13.905 207 HD13 ILE 26 HD13 ILE 26 6.450 24.652 12.716 208 H LYS 27 H LYS 27 3.665 26.755 12.049 209 HA LYS 27 HA LYS 27 3.777 23.877 12.235 210 HB2 LYS 27 HB2 LYS 27 2.745 25.841 13.890 211 HB3 LYS 27 HB3 LYS 27 1.278 25.202 13.140 212 HG2 LYS 27 HG2 LYS 27 1.635 23.844 15.057 213 HG3 LYS 27 HG3 LYS 27 2.199 22.857 13.706 214 HD2 LYS 27 HD2 LYS 27 4.572 24.007 14.312 215 HD3 LYS 27 HD3 LYS 27 3.767 24.306 15.843 216 HE2 LYS 27 HE2 LYS 27 3.109 21.697 15.537 217 HE3 LYS 27 HE3 LYS 27 4.577 21.721 14.531 218 HZ1 LYS 27 HZ1 LYS 27 5.107 21.192 16.847 219 HZ2 LYS 27 HZ2 LYS 27 5.709 22.694 16.547 220 HZ3 LYS 27 HZ3 LYS 27 4.328 22.491 17.405 221 H GLU 28 H GLU 28 1.907 26.056 10.173 222 HA GLU 28 HA GLU 28 0.186 23.978 9.097 223 HB2 GLU 28 HB2 GLU 28 1.081 26.707 8.108 224 HB3 GLU 28 HB3 GLU 28 0.226 25.609 7.053 225 HG2 GLU 28 HG2 GLU 28 -0.978 26.185 9.764 226 HG3 GLU 28 HG3 GLU 28 -1.083 27.394 8.464 227 H HIS 29 H HIS 29 3.532 25.030 8.418 228 HA HIS 29 HA HIS 29 3.783 23.562 5.953 229 HB2 HIS 29 HB2 HIS 29 5.304 25.443 6.549 230 HB3 HIS 29 HB3 HIS 29 5.933 24.491 7.891 231 HD2 HIS 29 HD2 HIS 29 8.230 23.576 7.291 232 HE1 HIS 29 HE1 HIS 29 7.328 21.892 3.494 233 HE2 HIS 29 HE2 HIS 29 9.097 22.083 5.311 234 H VAL 30 H VAL 30 3.737 22.497 9.239 235 HA VAL 30 HA VAL 30 4.907 19.872 8.485 236 HB VAL 30 HB VAL 30 4.509 20.867 11.292 237 HG11 VAL 30 HG11 VAL 30 6.128 19.045 11.819 238 HG12 VAL 30 HG12 VAL 30 4.672 18.396 11.059 239 HG13 VAL 30 HG13 VAL 30 6.160 18.578 10.108 240 HG21 VAL 30 HG21 VAL 30 6.994 21.215 11.309 241 HG22 VAL 30 HG22 VAL 30 7.033 20.889 9.551 242 HG23 VAL 30 HG23 VAL 30 6.191 22.308 10.187 243 H ARG 31 H ARG 31 1.949 21.414 9.580 244 HA ARG 31 HA ARG 31 0.665 18.919 10.354 245 HB2 ARG 31 HB2 ARG 31 0.301 21.127 11.461 246 HB3 ARG 31 HB3 ARG 31 -0.397 21.784 9.987 247 HG2 ARG 31 HG2 ARG 31 -1.589 19.316 11.290 248 HG3 ARG 31 HG3 ARG 31 -1.859 20.910 11.981 249 HD2 ARG 31 HD2 ARG 31 -2.813 21.697 9.789 250 HD3 ARG 31 HD3 ARG 31 -2.650 20.055 9.170 251 HE ARG 31 HE ARG 31 -4.518 19.417 10.356 252 HH11 ARG 31 HH11 ARG 31 -3.540 22.508 11.676 253 HH12 ARG 31 HH12 ARG 31 -4.892 22.580 12.772 254 HH21 ARG 31 HH21 ARG 31 -6.231 19.561 11.767 255 HH22 ARG 31 HH22 ARG 31 -6.391 20.945 12.803 256 H SER 32 H SER 32 0.415 17.626 8.768 257 HA SER 32 HA SER 32 -0.096 16.576 6.867 258 HB2 SER 32 HB2 SER 32 -2.361 17.465 7.710 259 HB3 SER 32 HB3 SER 32 -2.310 18.523 6.289 260 HG SER 32 HG SER 32 -3.309 16.546 5.789 261 H LYS 33 H LYS 33 1.823 18.893 6.678 262 HA LYS 33 HA LYS 33 1.788 19.323 3.725 263 HB2 LYS 33 HB2 LYS 33 2.249 21.107 6.037 264 HB3 LYS 33 HB3 LYS 33 3.365 21.326 4.698 265 HG2 LYS 33 HG2 LYS 33 0.345 21.497 4.360 266 HG3 LYS 33 HG3 LYS 33 1.455 22.855 4.616 267 HD2 LYS 33 HD2 LYS 33 2.781 21.883 2.570 268 HD3 LYS 33 HD3 LYS 33 1.243 21.078 2.192 269 HE2 LYS 33 HE2 LYS 33 0.086 23.210 2.046 270 HE3 LYS 33 HE3 LYS 33 1.458 24.052 2.793 271 HZ1 LYS 33 HZ1 LYS 33 1.461 24.390 0.383 272 HZ2 LYS 33 HZ2 LYS 33 2.780 23.528 0.834 273 HZ3 LYS 33 HZ3 LYS 33 1.508 22.783 0.126 274 H THR 34 H THR 34 4.046 18.873 6.449 275 HA THR 34 HA THR 34 6.283 18.262 4.706 276 HB THR 34 HB THR 34 5.848 17.944 7.687 277 HG1 THR 34 HG1 THR 34 7.414 19.576 7.700 278 HG21 THR 34 HG21 THR 34 8.310 17.519 7.879 279 HG22 THR 34 HG22 THR 34 7.437 16.175 7.129 280 HG23 THR 34 HG23 THR 34 8.372 17.292 6.114 281 H LYS 35 H LYS 35 3.667 16.478 6.117 282 HA LYS 35 HA LYS 35 4.729 13.806 5.856 283 HB2 LYS 35 HB2 LYS 35 2.118 15.167 6.532 284 HB3 LYS 35 HB3 LYS 35 1.971 13.533 5.890 285 HG2 LYS 35 HG2 LYS 35 3.349 12.585 7.578 286 HG3 LYS 35 HG3 LYS 35 3.934 14.161 8.100 287 HD2 LYS 35 HD2 LYS 35 1.101 14.253 8.467 288 HD3 LYS 35 HD3 LYS 35 1.613 12.650 8.987 289 HE2 LYS 35 HE2 LYS 35 3.553 13.918 10.214 290 HE3 LYS 35 HE3 LYS 35 2.576 15.368 9.968 291 HZ1 LYS 35 HZ1 LYS 35 2.142 14.335 12.114 292 HZ2 LYS 35 HZ2 LYS 35 0.782 14.237 11.201 293 HZ3 LYS 35 HZ3 LYS 35 1.735 12.919 11.417 294 H VAL 36 H VAL 36 2.660 15.810 3.715 295 HA VAL 36 HA VAL 36 2.722 13.678 1.675 296 HB VAL 36 HB VAL 36 0.597 14.761 2.191 297 HG11 VAL 36 HG11 VAL 36 0.042 17.003 1.800 298 HG12 VAL 36 HG12 VAL 36 1.543 17.088 2.714 299 HG13 VAL 36 HG13 VAL 36 1.576 17.362 0.966 300 HG21 VAL 36 HG21 VAL 36 -0.127 15.274 -0.089 301 HG22 VAL 36 HG22 VAL 36 1.551 15.463 -0.614 302 HG23 VAL 36 HG23 VAL 36 0.949 13.876 -0.075 303 HA PRO 37 HA PRO 37 6.123 15.984 -0.271 304 HB2 PRO 37 HB3 PRO 37 6.395 14.542 -2.594 305 HB3 PRO 37 HB2 PRO 37 6.873 13.908 -0.986 306 HG2 PRO 37 HG3 PRO 37 4.282 13.392 -2.498 307 HG3 PRO 37 HG2 PRO 37 5.367 12.199 -1.718 308 HD2 PRO 37 HD3 PRO 37 3.136 13.170 -0.480 309 HD3 PRO 37 HD2 PRO 37 4.625 12.795 0.434 310 H VAL 38 H VAL 38 4.610 17.766 -0.470 311 HA VAL 38 HA VAL 38 4.016 19.571 -1.453 312 HB VAL 38 HB VAL 38 4.239 18.298 -4.148 313 HG11 VAL 38 HG11 VAL 38 4.258 20.595 -4.977 314 HG12 VAL 38 HG12 VAL 38 2.774 20.305 -4.108 315 HG13 VAL 38 HG13 VAL 38 4.077 21.248 -3.354 316 HG21 VAL 38 HG21 VAL 38 6.374 19.717 -4.176 317 HG22 VAL 38 HG22 VAL 38 6.182 19.927 -2.422 318 HG23 VAL 38 HG23 VAL 38 6.431 18.314 -3.115 319 H GLN 39 H GLN 39 1.993 20.364 -1.065 320 HA GLN 39 HA GLN 39 -0.267 18.502 -1.274 321 HB2 GLN 39 HB2 GLN 39 0.370 21.063 -0.018 322 HB3 GLN 39 HB3 GLN 39 -1.148 21.228 -0.878 323 HG2 GLN 39 HG2 GLN 39 -0.664 18.927 1.031 324 HG3 GLN 39 HG3 GLN 39 -1.176 20.509 1.604 325 HE21 GLN 39 HE21 GLN 39 -2.299 17.554 0.125 326 HE22 GLN 39 HE22 GLN 39 -3.946 18.109 -0.066 327 H ASP 40 H ASP 40 0.830 21.323 -3.078 328 HA ASP 40 HA ASP 40 -0.156 20.486 -5.552 329 HB2 ASP 40 HB2 ASP 40 -2.112 22.034 -4.023 330 HB3 ASP 40 HB3 ASP 40 -1.529 23.017 -5.346 331 H GLN 41 H GLN 41 0.669 23.236 -3.497 332 HA GLN 41 HA GLN 41 2.597 24.338 -5.472 333 HB2 GLN 41 HB2 GLN 41 0.027 25.191 -5.414 334 HB3 GLN 41 HB3 GLN 41 0.595 26.130 -4.062 335 HG2 GLN 41 HG2 GLN 41 2.509 26.593 -6.080 336 HG3 GLN 41 HG3 GLN 41 1.015 26.438 -6.974 337 HE21 GLN 41 HE21 GLN 41 2.273 28.140 -4.063 338 HE22 GLN 41 HE22 GLN 41 1.388 29.621 -4.462 339 H VAL 42 H VAL 42 4.484 24.400 -4.360 340 HA VAL 42 HA VAL 42 4.523 25.363 -1.512 341 HB VAL 42 HB VAL 42 6.571 23.986 -1.217 342 HG11 VAL 42 HG11 VAL 42 5.391 21.768 -0.952 343 HG12 VAL 42 HG12 VAL 42 4.678 23.171 -0.157 344 HG13 VAL 42 HG13 VAL 42 3.958 22.558 -1.654 345 HG21 VAL 42 HG21 VAL 42 7.102 22.059 -2.587 346 HG22 VAL 42 HG22 VAL 42 5.889 22.563 -3.800 347 HG23 VAL 42 HG23 VAL 42 7.316 23.562 -3.477 348 H LEU 43 H LEU 43 6.239 26.659 -0.922 349 HA LEU 43 HA LEU 43 7.689 27.988 -3.149 350 HB2 LEU 43 HB2 LEU 43 5.936 29.058 -1.422 351 HB3 LEU 43 HB3 LEU 43 7.294 29.113 -0.350 352 HG LEU 43 HG LEU 43 7.496 30.304 -3.121 353 HD11 LEU 43 HD11 LEU 43 6.602 32.374 -2.487 354 HD12 LEU 43 HD12 LEU 43 5.415 31.201 -1.903 355 HD13 LEU 43 HD13 LEU 43 6.575 31.930 -0.762 356 HD21 LEU 43 HD21 LEU 43 9.007 31.926 -2.069 357 HD22 LEU 43 HD22 LEU 43 8.761 31.170 -0.476 358 HD23 LEU 43 HD23 LEU 43 9.576 30.316 -1.786 359 H LEU 44 H LEU 44 9.872 28.557 -2.769 360 HA LEU 44 HA LEU 44 11.393 26.861 -0.833 361 HB2 LEU 44 HB2 LEU 44 12.453 27.549 -3.581 362 HB3 LEU 44 HB3 LEU 44 12.983 26.354 -2.471 363 HG LEU 44 HG LEU 44 12.283 25.299 -4.406 364 HD11 LEU 44 HD11 LEU 44 10.491 23.789 -3.752 365 HD12 LEU 44 HD12 LEU 44 11.657 24.064 -2.438 366 HD13 LEU 44 HD13 LEU 44 10.061 24.864 -2.410 367 HD21 LEU 44 HD21 LEU 44 10.246 25.492 -5.564 368 HD22 LEU 44 HD22 LEU 44 9.507 26.475 -4.287 369 HD23 LEU 44 HD23 LEU 44 10.831 27.133 -5.291 370 H LEU 45 H LEU 45 12.728 28.186 0.312 371 HA LEU 45 HA LEU 45 13.836 30.701 -0.786 372 HB2 LEU 45 HB2 LEU 45 11.274 30.843 0.303 373 HB3 LEU 45 HB3 LEU 45 12.263 31.161 1.715 374 HG LEU 45 HG LEU 45 12.160 32.755 -0.851 375 HD11 LEU 45 HD11 LEU 45 11.433 34.531 0.823 376 HD12 LEU 45 HD12 LEU 45 10.316 33.171 0.656 377 HD13 LEU 45 HD13 LEU 45 11.380 33.277 2.060 378 HD21 LEU 45 HD21 LEU 45 13.730 34.336 0.195 379 HD22 LEU 45 HD22 LEU 45 13.993 33.212 1.558 380 HD23 LEU 45 HD23 LEU 45 14.503 32.792 -0.097 381 H GLY 46 H GLY 46 15.867 30.358 -0.142 382 HA2 GLY 46 HA2 GLY 46 17.696 30.215 1.273 383 HA3 GLY 46 HA3 GLY 46 16.621 30.184 2.678 384 H SER 47 H SER 47 16.869 27.993 -0.152 385 HA SER 47 HA SER 47 17.079 25.781 -0.387 386 HB2 SER 47 HB2 SER 47 18.804 25.729 2.085 387 HB3 SER 47 HB3 SER 47 18.847 24.636 0.685 388 HG SER 47 HG SER 47 20.474 26.336 0.714 389 H LYS 48 H LYS 48 15.015 26.770 1.737 390 HA LYS 48 HA LYS 48 14.204 24.050 2.681 391 HB2 LYS 48 HB2 LYS 48 13.476 25.077 4.783 392 HB3 LYS 48 HB3 LYS 48 15.188 25.400 4.532 393 HG2 LYS 48 HG2 LYS 48 14.605 27.672 3.699 394 HG3 LYS 48 HG3 LYS 48 12.889 27.348 4.019 395 HD2 LYS 48 HD2 LYS 48 13.594 27.011 6.481 396 HD3 LYS 48 HD3 LYS 48 15.172 27.693 5.987 397 HE2 LYS 48 HE2 LYS 48 13.775 29.619 4.927 398 HE3 LYS 48 HE3 LYS 48 12.408 28.974 5.838 399 HZ1 LYS 48 HZ1 LYS 48 13.474 30.694 7.110 400 HZ2 LYS 48 HZ2 LYS 48 13.792 29.260 7.870 401 HZ3 LYS 48 HZ3 LYS 48 14.950 29.990 6.965 402 H ILE 49 H ILE 49 11.846 23.911 3.058 403 HA ILE 49 HA ILE 49 10.401 25.289 0.932 404 HB ILE 49 HB ILE 49 9.424 23.340 3.051 405 HG12 ILE 49 HG12 ILE 49 11.038 22.177 1.674 406 HG13 ILE 49 HG13 ILE 49 9.416 21.562 1.414 407 HG21 ILE 49 HG21 ILE 49 7.463 22.970 1.467 408 HG22 ILE 49 HG22 ILE 49 7.511 24.565 2.212 409 HG23 ILE 49 HG23 ILE 49 8.048 24.364 0.542 410 HD11 ILE 49 HD11 ILE 49 10.698 21.752 -0.695 411 HD12 ILE 49 HD12 ILE 49 9.253 22.779 -0.732 412 HD13 ILE 49 HD13 ILE 49 10.864 23.494 -0.421 413 H LEU 50 H LEU 50 9.164 26.956 1.162 414 HA LEU 50 HA LEU 50 8.510 28.140 3.823 415 HB2 LEU 50 HB2 LEU 50 9.285 29.205 1.141 416 HB3 LEU 50 HB3 LEU 50 7.826 29.939 1.740 417 HG LEU 50 HG LEU 50 9.912 31.189 2.196 418 HD11 LEU 50 HD11 LEU 50 9.262 31.952 4.368 419 HD12 LEU 50 HD12 LEU 50 7.850 31.587 3.386 420 HD13 LEU 50 HD13 LEU 50 8.359 30.458 4.676 421 HD21 LEU 50 HD21 LEU 50 11.401 30.587 3.978 422 HD22 LEU 50 HD22 LEU 50 10.441 29.132 4.383 423 HD23 LEU 50 HD23 LEU 50 11.338 29.220 2.846 424 H LYS 51 H LYS 51 6.469 28.481 4.302 425 HA LYS 51 HA LYS 51 4.284 27.285 2.737 426 HB2 LYS 51 HB2 LYS 51 4.264 26.531 4.958 427 HB3 LYS 51 HB3 LYS 51 4.696 28.088 5.640 428 HG2 LYS 51 HG2 LYS 51 2.461 27.550 6.259 429 HG3 LYS 51 HG3 LYS 51 2.414 28.953 5.198 430 HD2 LYS 51 HD2 LYS 51 1.620 27.519 3.319 431 HD3 LYS 51 HD3 LYS 51 1.892 26.082 4.315 432 HE2 LYS 51 HE2 LYS 51 -0.340 26.279 4.738 433 HE3 LYS 51 HE3 LYS 51 0.265 27.319 6.024 434 HZ1 LYS 51 HZ1 LYS 51 -1.536 28.328 4.818 435 HZ2 LYS 51 HZ2 LYS 51 -0.164 29.219 4.603 436 HZ3 LYS 51 HZ3 LYS 51 -0.723 28.246 3.391 437 HA PRO 52 HA PRO 52 2.650 31.743 2.949 438 HB2 PRO 52 HB3 PRO 52 4.014 33.840 3.979 439 HB3 PRO 52 HB2 PRO 52 3.184 32.669 5.050 440 HG2 PRO 52 HG3 PRO 52 6.095 32.675 4.180 441 HG3 PRO 52 HG2 PRO 52 5.501 32.646 5.861 442 HD2 PRO 52 HD3 PRO 52 6.136 30.364 4.593 443 HD3 PRO 52 HD2 PRO 52 4.697 30.399 5.631 444 H ARG 53 H ARG 53 3.153 33.866 1.760 445 HA ARG 53 HA ARG 53 5.007 33.364 -0.470 446 HB2 ARG 53 HB2 ARG 53 2.373 34.824 -0.696 447 HB3 ARG 53 HB3 ARG 53 3.486 34.352 -1.967 448 HG2 ARG 53 HG2 ARG 53 2.433 32.422 -2.240 449 HG3 ARG 53 HG3 ARG 53 2.854 31.909 -0.624 450 HD2 ARG 53 HD2 ARG 53 0.396 33.536 -1.416 451 HD3 ARG 53 HD3 ARG 53 0.413 31.808 -1.034 452 HE ARG 53 HE ARG 53 1.513 33.379 1.100 453 HH11 ARG 53 HH11 ARG 53 -1.600 32.562 -0.245 454 HH12 ARG 53 HH12 ARG 53 -2.453 32.824 1.242 455 HH21 ARG 53 HH21 ARG 53 0.393 33.749 2.990 456 HH22 ARG 53 HH22 ARG 53 -1.324 33.490 3.051 457 H ARG 54 H ARG 54 6.249 34.535 1.487 458 HA ARG 54 HA ARG 54 6.448 37.473 0.913 459 HB2 ARG 54 HB2 ARG 54 5.984 36.120 3.632 460 HB3 ARG 54 HB3 ARG 54 6.423 37.814 3.444 461 HG2 ARG 54 HG2 ARG 54 4.352 38.461 2.643 462 HG3 ARG 54 HG3 ARG 54 3.899 36.852 2.089 463 HD2 ARG 54 HD2 ARG 54 2.627 37.494 4.094 464 HD3 ARG 54 HD3 ARG 54 3.567 36.036 4.297 465 HE ARG 54 HE ARG 54 4.827 37.043 5.951 466 HH11 ARG 54 HH11 ARG 54 3.205 39.619 4.214 467 HH12 ARG 54 HH12 ARG 54 3.717 40.834 5.337 468 HH21 ARG 54 HH21 ARG 54 5.458 38.630 7.370 469 HH22 ARG 54 HH22 ARG 54 4.968 40.268 7.103 470 H SER 55 H SER 55 8.391 38.432 2.125 471 HA SER 55 HA SER 55 10.685 36.601 1.778 472 HB2 SER 55 HB2 SER 55 11.930 38.722 2.248 473 HB3 SER 55 HB3 SER 55 10.648 39.037 1.088 474 HG SER 55 HG SER 55 10.789 40.621 2.761 475 H LEU 56 H LEU 56 12.430 37.290 3.693 476 HA LEU 56 HA LEU 56 11.470 35.897 6.045 477 HB2 LEU 56 HB2 LEU 56 14.290 36.838 5.536 478 HB3 LEU 56 HB3 LEU 56 13.738 35.540 6.595 479 HG LEU 56 HG LEU 56 13.757 35.519 3.558 480 HD11 LEU 56 HD11 LEU 56 15.531 33.870 3.808 481 HD12 LEU 56 HD12 LEU 56 15.966 35.332 4.698 482 HD13 LEU 56 HD13 LEU 56 15.384 33.908 5.583 483 HD21 LEU 56 HD21 LEU 56 13.176 33.088 3.782 484 HD22 LEU 56 HD22 LEU 56 12.867 33.342 5.509 485 HD23 LEU 56 HD23 LEU 56 11.863 34.151 4.287 486 H SER 57 H SER 57 12.412 39.090 5.269 487 HA SER 57 HA SER 57 12.950 41.018 6.296 488 HB2 SER 57 HB2 SER 57 10.534 40.831 6.627 489 HB3 SER 57 HB3 SER 57 10.752 39.985 8.152 490 HG SER 57 HG SER 57 10.347 42.200 8.443 491 H SER 58 H SER 58 14.483 38.560 7.226 492 HA SER 58 HA SER 58 15.222 38.708 9.950 493 HB2 SER 58 HB2 SER 58 17.006 37.940 7.619 494 HB3 SER 58 HB3 SER 58 17.192 37.492 9.320 495 HG SER 58 HG SER 58 16.227 35.817 8.186 496 H TYR 59 H TYR 59 16.119 40.899 7.357 497 HA TYR 59 HA TYR 59 18.211 42.153 9.107 498 HB2 TYR 59 HB2 TYR 59 18.697 41.349 6.681 499 HB3 TYR 59 HB3 TYR 59 17.698 42.685 6.141 500 HD1 TYR 59 HD2 TYR 59 20.844 41.704 7.777 501 HD2 TYR 59 HD1 TYR 59 18.483 45.041 6.401 502 HE1 TYR 59 HE2 TYR 59 22.810 43.201 8.038 503 HE2 TYR 59 HE1 TYR 59 20.458 46.538 6.673 504 HH TYR 59 HH TYR 59 23.601 45.327 7.844 505 H GLY 60 H GLY 60 15.355 42.925 7.007 506 HA2 GLY 60 HA2 GLY 60 13.918 44.498 8.716 507 HA3 GLY 60 HA3 GLY 60 15.072 45.634 8.008 508 H ILE 61 H ILE 61 12.472 46.088 7.515 509 HA ILE 61 HA ILE 61 12.037 45.315 4.662 510 HB ILE 61 HB ILE 61 9.924 46.490 6.554 511 HG12 ILE 61 HG12 ILE 61 10.357 43.528 6.031 512 HG13 ILE 61 HG13 ILE 61 10.618 44.372 7.570 513 HG21 ILE 61 HG21 ILE 61 8.339 45.632 4.869 514 HG22 ILE 61 HG22 ILE 61 9.515 46.649 4.100 515 HG23 ILE 61 HG23 ILE 61 9.679 44.887 3.970 516 HD11 ILE 61 HD11 ILE 61 8.540 43.179 7.717 517 HD12 ILE 61 HD12 ILE 61 8.196 44.919 7.693 518 HD13 ILE 61 HD13 ILE 61 7.914 43.924 6.241 519 H ASP 62 H ASP 62 11.892 46.987 3.257 520 HA ASP 62 HA ASP 62 12.590 49.713 4.160 521 HB2 ASP 62 HB2 ASP 62 12.652 48.497 1.344 522 HB3 ASP 62 HB3 ASP 62 13.415 49.989 1.868 523 H LYS 63 H LYS 63 11.709 50.856 1.639 524 HA LYS 63 HA LYS 63 8.889 51.445 2.146 525 HB2 LYS 63 HB2 LYS 63 11.101 52.171 0.124 526 HB3 LYS 63 HB3 LYS 63 9.478 52.620 -0.287 527 HG2 LYS 63 HG2 LYS 63 9.205 54.134 1.395 528 HG3 LYS 63 HG3 LYS 63 10.435 53.423 2.435 529 HD2 LYS 63 HD2 LYS 63 11.163 54.728 -0.216 530 HD3 LYS 63 HD3 LYS 63 10.981 55.684 1.252 531 HE2 LYS 63 HE2 LYS 63 12.815 53.251 1.081 532 HE3 LYS 63 HE3 LYS 63 13.358 54.886 0.689 533 HZ1 LYS 63 HZ1 LYS 63 13.826 54.288 2.999 534 HZ2 LYS 63 HZ2 LYS 63 12.792 55.566 2.926 535 HZ3 LYS 63 HZ3 LYS 63 12.224 54.082 3.299 536 H GLU 64 H GLU 64 7.583 51.473 -0.156 537 HA GLU 64 HA GLU 64 6.948 48.798 -0.661 538 HB2 GLU 64 HB2 GLU 64 5.470 49.830 -2.455 539 HB3 GLU 64 HB3 GLU 64 5.219 50.455 -0.838 540 HG2 GLU 64 HG2 GLU 64 5.698 52.566 -1.427 541 HG3 GLU 64 HG3 GLU 64 7.117 52.148 -2.333 542 H LYS 65 H LYS 65 8.129 47.480 -1.792 543 HA LYS 65 HA LYS 65 9.457 48.169 -4.370 544 HB2 LYS 65 HB2 LYS 65 10.760 46.679 -1.985 545 HB3 LYS 65 HB3 LYS 65 11.462 46.893 -3.565 546 HG2 LYS 65 HG2 LYS 65 10.823 49.509 -2.521 547 HG3 LYS 65 HG3 LYS 65 11.661 48.594 -1.273 548 HD2 LYS 65 HD2 LYS 65 13.526 48.138 -2.810 549 HD3 LYS 65 HD3 LYS 65 12.701 49.015 -4.118 550 HE2 LYS 65 HE2 LYS 65 13.419 50.234 -1.416 551 HE3 LYS 65 HE3 LYS 65 14.476 50.316 -2.822 552 HZ1 LYS 65 HZ1 LYS 65 13.069 52.287 -2.618 553 HZ2 LYS 65 HZ2 LYS 65 12.758 51.482 -4.019 554 HZ3 LYS 65 HZ3 LYS 65 11.702 51.354 -2.775 555 H THR 66 H THR 66 9.955 46.259 -5.552 556 HA THR 66 HA THR 66 8.052 44.027 -5.149 557 HB THR 66 HB THR 66 8.172 45.139 -7.367 558 HG1 THR 66 HG1 THR 66 8.446 43.204 -8.525 559 HG21 THR 66 HG21 THR 66 10.070 44.842 -8.888 560 HG22 THR 66 HG22 THR 66 10.546 45.823 -7.502 561 HG23 THR 66 HG23 THR 66 11.040 44.112 -7.597 562 H ILE 67 H ILE 67 8.860 41.862 -5.450 563 HA ILE 67 HA ILE 67 11.651 41.236 -4.606 564 HB ILE 67 HB ILE 67 10.096 39.416 -3.188 565 HG12 ILE 67 HG12 ILE 67 8.058 40.902 -3.460 566 HG13 ILE 67 HG13 ILE 67 8.448 40.221 -1.890 567 HG21 ILE 67 HG21 ILE 67 10.989 40.454 -1.159 568 HG22 ILE 67 HG22 ILE 67 12.191 40.290 -2.447 569 HG23 ILE 67 HG23 ILE 67 11.476 41.871 -2.110 570 HD11 ILE 67 HD11 ILE 67 7.678 42.693 -1.992 571 HD12 ILE 67 HD12 ILE 67 9.066 42.288 -0.955 572 HD13 ILE 67 HD13 ILE 67 9.321 43.044 -2.537 573 H HIS 68 H HIS 68 12.126 39.012 -5.043 574 HA HIS 68 HA HIS 68 10.237 37.512 -6.782 575 HB2 HIS 68 HB2 HIS 68 11.954 39.106 -8.032 576 HB3 HIS 68 HB3 HIS 68 13.156 37.907 -7.605 577 HD2 HIS 68 HD2 HIS 68 10.387 35.687 -8.258 578 HE1 HIS 68 HE1 HIS 68 11.446 36.800 -12.222 579 HE2 HIS 68 HE2 HIS 68 10.037 35.196 -10.800 580 H LEU 69 H LEU 69 10.152 35.588 -6.021 581 HA LEU 69 HA LEU 69 12.372 34.322 -4.457 582 HB2 LEU 69 HB2 LEU 69 9.511 33.610 -3.847 583 HB3 LEU 69 HB3 LEU 69 10.883 33.676 -2.823 584 HG LEU 69 HG LEU 69 10.374 36.399 -3.272 585 HD11 LEU 69 HD11 LEU 69 7.918 36.568 -2.676 586 HD12 LEU 69 HD12 LEU 69 8.223 35.992 -4.319 587 HD13 LEU 69 HD13 LEU 69 7.741 34.849 -3.061 588 HD21 LEU 69 HD21 LEU 69 9.508 36.435 -0.988 589 HD22 LEU 69 HD22 LEU 69 9.362 34.658 -1.001 590 HD23 LEU 69 HD23 LEU 69 10.956 35.442 -1.131 591 H THR 70 H THR 70 11.779 31.784 -4.386 592 HA THR 70 HA THR 70 10.975 30.978 -7.137 593 HB THR 70 HB THR 70 12.336 28.903 -6.594 594 HG1 THR 70 HG1 THR 70 13.868 29.063 -4.985 595 HG21 THR 70 HG21 THR 70 14.599 29.913 -6.871 596 HG22 THR 70 HG22 THR 70 13.425 30.515 -8.029 597 HG23 THR 70 HG23 THR 70 13.890 31.516 -6.623 598 H LEU 71 H LEU 71 9.351 29.522 -7.392 599 HA LEU 71 HA LEU 71 8.213 28.074 -5.095 600 HB2 LEU 71 HB2 LEU 71 7.202 30.456 -5.366 601 HB3 LEU 71 HB3 LEU 71 6.482 29.882 -6.843 602 HG LEU 71 HG LEU 71 6.052 28.609 -4.140 603 HD11 LEU 71 HD11 LEU 71 4.086 29.750 -3.731 604 HD12 LEU 71 HD12 LEU 71 5.248 30.992 -4.236 605 HD13 LEU 71 HD13 LEU 71 4.032 30.424 -5.368 606 HD21 LEU 71 HD21 LEU 71 4.151 27.490 -4.891 607 HD22 LEU 71 HD22 LEU 71 4.187 28.331 -6.467 608 HD23 LEU 71 HD23 LEU 71 5.390 27.132 -6.060 609 H LYS 72 H LYS 72 7.678 26.099 -5.751 610 HA LYS 72 HA LYS 72 7.345 25.516 -8.694 611 HB2 LYS 72 HB2 LYS 72 9.580 24.681 -7.734 612 HB3 LYS 72 HB3 LYS 72 8.677 23.759 -6.543 613 HG2 LYS 72 HG2 LYS 72 7.521 22.854 -8.900 614 HG3 LYS 72 HG3 LYS 72 9.144 23.215 -9.437 615 HD2 LYS 72 HD2 LYS 72 8.357 21.378 -7.130 616 HD3 LYS 72 HD3 LYS 72 8.823 20.858 -8.760 617 HE2 LYS 72 HE2 LYS 72 11.073 21.857 -8.448 618 HE3 LYS 72 HE3 LYS 72 10.626 22.366 -6.806 619 HZ1 LYS 72 HZ1 LYS 72 11.836 20.255 -6.826 620 HZ2 LYS 72 HZ2 LYS 72 10.312 20.051 -6.219 621 HZ3 LYS 72 HZ3 LYS 72 10.671 19.562 -7.746 622 H VAL 73 H VAL 73 5.531 24.458 -9.096 623 HA VAL 73 HA VAL 73 3.888 23.285 -6.921 624 HB VAL 73 HB VAL 73 2.236 24.530 -7.611 625 HG11 VAL 73 HG11 VAL 73 2.292 26.292 -9.280 626 HG12 VAL 73 HG12 VAL 73 3.757 26.337 -8.300 627 HG13 VAL 73 HG13 VAL 73 3.799 25.668 -9.953 628 HG21 VAL 73 HG21 VAL 73 1.056 24.339 -9.666 629 HG22 VAL 73 HG22 VAL 73 2.428 23.561 -10.473 630 HG23 VAL 73 HG23 VAL 73 1.558 22.746 -9.147 631 H VAL 74 H VAL 74 3.422 21.277 -7.022 632 HA VAL 74 HA VAL 74 3.315 19.707 -9.434 633 HB VAL 74 HB VAL 74 4.752 17.877 -8.751 634 HG11 VAL 74 HG11 VAL 74 6.969 18.780 -9.124 635 HG12 VAL 74 HG12 VAL 74 5.782 19.620 -10.148 636 HG13 VAL 74 HG13 VAL 74 6.399 20.416 -8.695 637 HG21 VAL 74 HG21 VAL 74 6.357 17.961 -6.917 638 HG22 VAL 74 HG22 VAL 74 5.740 19.547 -6.422 639 HG23 VAL 74 HG23 VAL 74 4.711 18.109 -6.303 640 H LYS 75 H LYS 75 2.320 17.632 -9.043 641 HA LYS 75 HA LYS 75 0.560 16.401 -8.321 642 HB2 LYS 75 HB2 LYS 75 1.923 16.884 -5.636 643 HB3 LYS 75 HB3 LYS 75 0.514 15.852 -5.808 644 HG2 LYS 75 HG2 LYS 75 3.083 15.389 -7.373 645 HG3 LYS 75 HG3 LYS 75 2.749 14.666 -5.796 646 HD2 LYS 75 HD2 LYS 75 0.689 13.614 -6.678 647 HD3 LYS 75 HD3 LYS 75 1.023 14.248 -8.286 648 HE2 LYS 75 HE2 LYS 75 2.857 12.381 -6.722 649 HE3 LYS 75 HE3 LYS 75 1.698 11.853 -7.939 650 HZ1 LYS 75 HZ1 LYS 75 3.889 12.108 -8.878 651 HZ2 LYS 75 HZ2 LYS 75 2.854 13.197 -9.565 652 HZ3 LYS 75 HZ3 LYS 75 3.938 13.698 -8.434
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