NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26048 | 2keh | 16149 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 2.185 -1.023 -1.575 3 HB2 ARG 1 HB2 ARG 1 0.872 1.648 -1.846 4 HB3 ARG 1 HB3 ARG 1 2.086 1.176 -3.027 5 HG2 ARG 1 HG2 ARG 1 -0.334 -0.482 -2.361 6 HG3 ARG 1 HG3 ARG 1 -0.265 0.682 -3.685 7 HD2 ARG 1 HD2 ARG 1 0.948 -0.689 -4.981 8 HD3 ARG 1 HD3 ARG 1 1.972 -1.200 -3.639 9 HE ARG 1 HE ARG 1 0.625 -3.030 -3.351 10 HH11 ARG 1 HH11 ARG 1 -0.997 -0.719 -5.388 11 HH12 ARG 1 HH12 ARG 1 -2.294 -1.793 -5.796 12 HH21 ARG 1 HH21 ARG 1 -1.077 -4.453 -3.880 13 HH22 ARG 1 HH22 ARG 1 -2.339 -3.917 -4.937 14 H ARG 2 H ARG 2 2.797 1.792 0.405 15 HA ARG 2 HA ARG 2 5.413 2.272 -0.709 16 HB2 ARG 2 HB2 ARG 2 3.868 3.433 1.596 17 HB3 ARG 2 HB3 ARG 2 5.564 3.825 1.346 18 HG2 ARG 2 HG2 ARG 2 4.701 4.368 -1.096 19 HG3 ARG 2 HG3 ARG 2 3.180 4.606 -0.232 20 HD2 ARG 2 HD2 ARG 2 5.570 5.845 0.977 21 HD3 ARG 2 HD3 ARG 2 5.036 6.530 -0.557 22 HE ARG 2 HE ARG 2 3.743 6.777 1.983 23 HH11 ARG 2 HH11 ARG 2 3.227 6.713 -1.459 24 HH12 ARG 2 HH12 ARG 2 1.766 7.641 -1.389 25 HH21 ARG 2 HH21 ARG 2 1.820 7.999 2.089 26 HH22 ARG 2 HH22 ARG 2 0.967 8.373 0.629 27 H SER 3 H SER 3 6.545 0.348 -0.414 28 HA SER 3 HA SER 3 7.833 0.069 2.120 29 HB2 SER 3 HB2 SER 3 5.464 -1.407 1.801 30 HB3 SER 3 HB3 SER 3 6.774 -2.563 1.561 31 HG SER 3 HG SER 3 5.873 -1.643 3.841 32 H ARG 4 H ARG 4 7.134 -1.347 -1.037 33 HA ARG 4 HA ARG 4 9.691 -2.709 -1.127 34 HB2 ARG 4 HB2 ARG 4 7.424 -3.480 -2.164 35 HB3 ARG 4 HB3 ARG 4 7.860 -2.400 -3.482 36 HG2 ARG 4 HG2 ARG 4 8.759 -4.317 -4.282 37 HG3 ARG 4 HG3 ARG 4 10.136 -3.750 -3.335 38 HD2 ARG 4 HD2 ARG 4 9.673 -5.236 -1.574 39 HD3 ARG 4 HD3 ARG 4 8.045 -5.561 -2.169 40 HE ARG 4 HE ARG 4 10.433 -6.902 -2.928 41 HH11 ARG 4 HH11 ARG 4 7.354 -5.815 -4.135 42 HH12 ARG 4 HH12 ARG 4 7.262 -7.029 -5.368 43 HH21 ARG 4 HH21 ARG 4 10.324 -8.504 -4.548 44 HH22 ARG 4 HH22 ARG 4 8.952 -8.558 -5.602 45 H LYS 5 H LYS 5 10.338 -0.184 -0.741 46 HA LYS 5 HA LYS 5 11.940 0.488 -2.947 47 HB2 LYS 5 HB2 LYS 5 9.940 1.252 -4.033 48 HB3 LYS 5 HB3 LYS 5 9.436 2.140 -2.600 49 HG2 LYS 5 HG2 LYS 5 10.723 3.911 -3.087 50 HG3 LYS 5 HG3 LYS 5 12.055 2.914 -3.676 51 HD2 LYS 5 HD2 LYS 5 11.349 3.020 -5.812 52 HD3 LYS 5 HD3 LYS 5 9.649 2.871 -5.360 53 HE2 LYS 5 HE2 LYS 5 11.089 5.403 -4.734 54 HE3 LYS 5 HE3 LYS 5 10.597 5.097 -6.399 55 HZ1 LYS 5 HZ1 LYS 5 8.778 5.061 -4.051 56 HZ2 LYS 5 HZ2 LYS 5 8.326 4.846 -5.667 57 HZ3 LYS 5 HZ3 LYS 5 8.924 6.341 -5.148 58 H ASN 6 H ASN 6 10.211 1.777 -0.138 59 HA ASN 6 HA ASN 6 11.964 3.852 0.504 60 HB2 ASN 6 HB2 ASN 6 9.782 2.438 1.796 61 HB3 ASN 6 HB3 ASN 6 11.038 2.878 2.951 62 HD21 ASN 6 HD21 ASN 6 11.668 5.115 3.064 63 HD22 ASN 6 HD22 ASN 6 10.518 6.347 2.682 64 H GLY 7 H GLY 7 12.163 0.411 1.106 65 HA2 GLY 7 HA2 GLY 7 13.906 -0.893 1.839 66 HA3 GLY 7 HA3 GLY 7 14.950 0.495 1.568 67 H ILE 8 H ILE 8 13.300 -1.415 3.886 68 HA ILE 8 HA ILE 8 13.292 0.343 6.082 69 HB ILE 8 HB ILE 8 13.625 -2.654 6.206 70 HG12 ILE 8 HG12 ILE 8 10.938 -1.936 6.648 71 HG13 ILE 8 HG13 ILE 8 11.438 -1.062 5.205 72 HG21 ILE 8 HG21 ILE 8 12.492 -2.424 8.370 73 HG22 ILE 8 HG22 ILE 8 14.006 -1.523 8.321 74 HG23 ILE 8 HG23 ILE 8 12.469 -0.673 8.163 75 HD11 ILE 8 HD11 ILE 8 10.626 -3.727 5.399 76 HD12 ILE 8 HD12 ILE 8 11.284 -2.899 3.987 77 HD13 ILE 8 HD13 ILE 8 12.360 -3.771 5.078 78 H GLY 9 H GLY 9 15.753 -1.859 4.828 79 HA2 GLY 9 HA2 GLY 9 17.767 -0.414 6.368 80 HA3 GLY 9 HA3 GLY 9 17.620 -2.135 6.689 81 H TYR 10 H TYR 10 16.963 -1.073 3.485 82 HA TYR 10 HA TYR 10 19.137 -2.626 2.453 83 HB2 TYR 10 HB2 TYR 10 17.001 -0.925 1.184 84 HB3 TYR 10 HB3 TYR 10 18.291 -1.647 0.229 85 HD1 TYR 10 HD2 TYR 10 15.654 -2.572 2.702 86 HD2 TYR 10 HD1 TYR 10 18.001 -3.779 -0.635 87 HE1 TYR 10 HE2 TYR 10 14.371 -4.666 2.565 88 HE2 TYR 10 HE1 TYR 10 16.724 -5.876 -0.783 89 HH TYR 10 HH TYR 10 14.028 -6.544 1.431 90 H ALA 11 H ALA 11 18.273 0.817 2.079 91 HA ALA 11 HA ALA 11 20.813 1.528 1.010 92 HB1 ALA 11 HB1 ALA 11 18.465 2.714 0.864 93 HB2 ALA 11 HB2 ALA 11 19.067 3.573 2.282 94 HB3 ALA 11 HB3 ALA 11 19.965 3.636 0.765 95 H ILE 12 H ILE 12 19.289 2.108 4.179 96 HA ILE 12 HA ILE 12 21.368 3.457 5.410 97 HB ILE 12 HB ILE 12 19.471 1.484 6.689 98 HG12 ILE 12 HG12 ILE 12 18.895 4.260 7.185 99 HG13 ILE 12 HG13 ILE 12 18.983 3.974 5.450 100 HG21 ILE 12 HG21 ILE 12 19.918 2.857 8.743 101 HG22 ILE 12 HG22 ILE 12 21.271 1.871 8.193 102 HG23 ILE 12 HG23 ILE 12 21.254 3.604 7.868 103 HD11 ILE 12 HD11 ILE 12 17.381 2.079 5.783 104 HD12 ILE 12 HD12 ILE 12 17.183 2.636 7.445 105 HD13 ILE 12 HD13 ILE 12 16.730 3.686 6.103 106 H GLY 13 H GLY 13 20.761 -0.057 5.393 107 HA2 GLY 13 HA2 GLY 13 23.050 -0.763 6.878 108 HA3 GLY 13 HA3 GLY 13 22.152 -1.834 5.812 109 H TYR 14 H TYR 14 22.584 -0.156 3.457 110 HA TYR 14 HA TYR 14 24.872 -1.364 2.433 111 HB2 TYR 14 HB2 TYR 14 22.934 -0.248 1.176 112 HB3 TYR 14 HB3 TYR 14 23.804 1.264 1.415 113 HD1 TYR 14 HD2 TYR 14 26.026 1.589 0.360 114 HD2 TYR 14 HD1 TYR 14 23.645 -1.841 -0.453 115 HE1 TYR 14 HE2 TYR 14 27.380 1.131 -1.641 116 HE2 TYR 14 HE1 TYR 14 24.993 -2.310 -2.456 117 HH TYR 14 HH TYR 14 26.667 -1.641 -3.747 118 H ALA 15 H ALA 15 24.448 2.000 3.528 119 HA ALA 15 HA ALA 15 27.169 2.716 3.173 120 HB1 ALA 15 HB1 ALA 15 26.508 4.638 4.734 121 HB2 ALA 15 HB2 ALA 15 25.670 4.506 3.187 122 HB3 ALA 15 HB3 ALA 15 24.883 3.956 4.667 123 H PHE 16 H PHE 16 25.362 1.312 5.820 124 HA PHE 16 HA PHE 16 27.206 1.780 7.890 125 HB2 PHE 16 HB2 PHE 16 24.785 0.264 7.514 126 HB3 PHE 16 HB3 PHE 16 25.960 -0.694 8.408 127 HD1 PHE 16 HD2 PHE 16 27.231 0.751 10.293 128 HD2 PHE 16 HD1 PHE 16 23.340 1.529 8.752 129 HE1 PHE 16 HE2 PHE 16 26.665 1.977 12.350 130 HE2 PHE 16 HE1 PHE 16 22.769 2.757 10.806 131 HZ PHE 16 HZ PHE 16 24.432 2.981 12.609 132 H GLY 17 H GLY 17 26.872 -0.906 5.602 133 HA2 GLY 17 HA2 GLY 17 28.853 -2.575 6.677 134 HA3 GLY 17 HA3 GLY 17 28.323 -2.579 5.002 135 H ALA 18 H ALA 18 29.097 0.211 4.566 136 HA ALA 18 HA ALA 18 31.823 -0.264 3.825 137 HB1 ALA 18 HB1 ALA 18 30.353 1.023 2.381 138 HB2 ALA 18 HB2 ALA 18 30.161 2.246 3.638 139 HB3 ALA 18 HB3 ALA 18 31.735 1.997 2.881 140 H VAL 19 H VAL 19 30.190 1.802 6.195 141 HA VAL 19 HA VAL 19 32.348 3.266 7.123 142 HB VAL 19 HB VAL 19 29.993 2.209 8.692 143 HG11 VAL 19 HG11 VAL 19 30.634 4.369 10.063 144 HG12 VAL 19 HG12 VAL 19 31.385 2.810 10.407 145 HG13 VAL 19 HG13 VAL 19 32.243 4.009 9.437 146 HG21 VAL 19 HG21 VAL 19 28.823 3.709 7.545 147 HG22 VAL 19 HG22 VAL 19 29.816 4.979 8.259 148 HG23 VAL 19 HG23 VAL 19 30.275 4.266 6.713 149 H GLU 20 H GLU 20 31.536 -0.072 7.676 150 HA GLU 20 HA GLU 20 33.272 -0.430 9.926 151 HB2 GLU 20 HB2 GLU 20 32.389 -2.678 8.150 152 HB3 GLU 20 HB3 GLU 20 32.636 -2.672 9.890 153 HG2 GLU 20 HG2 GLU 20 30.633 -0.906 9.730 154 HG3 GLU 20 HG3 GLU 20 30.279 -1.883 8.306 155 H ARG 21 H ARG 21 33.474 -1.170 6.462 156 HA ARG 21 HA ARG 21 35.959 -2.444 6.478 157 HB2 ARG 21 HB2 ARG 21 34.222 -1.180 4.472 158 HB3 ARG 21 HB3 ARG 21 35.931 -1.171 4.055 159 HG2 ARG 21 HG2 ARG 21 35.817 -3.287 3.429 160 HG3 ARG 21 HG3 ARG 21 35.242 -3.757 5.030 161 HD2 ARG 21 HD2 ARG 21 33.055 -3.765 4.393 162 HD3 ARG 21 HD3 ARG 21 33.287 -2.494 3.194 163 HE ARG 21 HE ARG 21 34.643 -4.751 2.295 164 HH11 ARG 21 HH11 ARG 21 31.372 -3.759 2.957 165 HH12 ARG 21 HH12 ARG 21 30.674 -4.809 1.768 166 HH21 ARG 21 HH21 ARG 21 33.736 -6.138 0.727 167 HH22 ARG 21 HH22 ARG 21 32.020 -6.162 0.501 168 H ALA 22 H ALA 22 35.120 0.928 6.652 169 HA ALA 22 HA ALA 22 37.564 2.066 5.873 170 HB1 ALA 22 HB1 ALA 22 35.862 3.303 7.999 171 HB2 ALA 22 HB2 ALA 22 36.745 4.074 6.680 172 HB3 ALA 22 HB3 ALA 22 35.267 3.173 6.344 173 H VAL 23 H VAL 23 36.358 1.192 9.107 174 HA VAL 23 HA VAL 23 38.870 1.848 10.358 175 HB VAL 23 HB VAL 23 36.708 0.231 11.671 176 HG11 VAL 23 HG11 VAL 23 37.682 0.829 13.617 177 HG12 VAL 23 HG12 VAL 23 39.098 1.065 12.591 178 HG13 VAL 23 HG13 VAL 23 38.094 2.444 13.040 179 HG21 VAL 23 HG21 VAL 23 35.793 2.522 12.381 180 HG22 VAL 23 HG22 VAL 23 36.659 3.150 10.979 181 HG23 VAL 23 HG23 VAL 23 35.396 1.939 10.765 182 H LEU 24 H LEU 24 37.345 -0.980 9.043 183 HA LEU 24 HA LEU 24 38.690 -3.019 10.359 184 HB2 LEU 24 HB2 LEU 24 36.906 -2.884 8.315 185 HB3 LEU 24 HB3 LEU 24 38.360 -3.398 7.463 186 HG LEU 24 HG LEU 24 38.385 -5.168 9.479 187 HD11 LEU 24 HD11 LEU 24 35.979 -5.959 9.676 188 HD12 LEU 24 HD12 LEU 24 35.518 -4.358 9.102 189 HD13 LEU 24 HD13 LEU 24 36.425 -4.527 10.604 190 HD21 LEU 24 HD21 LEU 24 36.533 -5.819 7.257 191 HD22 LEU 24 HD22 LEU 24 37.921 -6.714 7.878 192 HD23 LEU 24 HD23 LEU 24 38.169 -5.314 6.833 193 H GLY 25 H GLY 25 39.664 -1.254 7.424 194 HA2 GLY 25 HA2 GLY 25 42.187 -2.626 7.260 195 HA3 GLY 25 HA3 GLY 25 41.676 -1.259 6.281 196 H GLY 26 H GLY 26 41.468 0.848 7.670 197 HA2 GLY 26 HA2 GLY 26 43.970 1.047 9.226 198 HA3 GLY 26 HA3 GLY 26 43.294 2.350 8.260 199 H SER 27 H SER 27 43.502 0.983 11.337 200 HA SER 27 HA SER 27 41.116 1.619 12.570 201 HB2 SER 27 HB2 SER 27 43.564 2.263 14.111 202 HB3 SER 27 HB3 SER 27 42.209 1.216 14.531 203 HG SER 27 HG SER 27 43.772 -0.211 14.157 204 H ARG 28 H ARG 28 40.044 3.448 12.872 205 HA ARG 28 HA ARG 28 41.222 5.973 12.155 206 HB2 ARG 28 HB2 ARG 28 38.487 5.169 13.134 207 HB3 ARG 28 HB3 ARG 28 38.931 6.847 12.850 208 HG2 ARG 28 HG2 ARG 28 39.516 5.040 10.620 209 HG3 ARG 28 HG3 ARG 28 37.803 5.206 11.011 210 HD2 ARG 28 HD2 ARG 28 38.111 6.930 9.511 211 HD3 ARG 28 HD3 ARG 28 38.340 7.752 11.054 212 HE ARG 28 HE ARG 28 40.846 6.940 10.308 213 HH11 ARG 28 HH11 ARG 28 38.341 8.897 8.887 214 HH12 ARG 28 HH12 ARG 28 39.444 9.903 8.008 215 HH21 ARG 28 HH21 ARG 28 42.309 8.258 9.156 216 HH22 ARG 28 HH22 ARG 28 41.701 9.538 8.161 217 H ASP 29 H ASP 29 42.875 6.123 13.764 218 HA ASP 29 HA ASP 29 42.225 7.733 15.948 219 HB2 ASP 29 HB2 ASP 29 41.787 4.978 16.474 220 HB3 ASP 29 HB3 ASP 29 43.226 5.459 17.370 221 H TYR 30 H TYR 30 44.049 8.550 16.985 222 HA TYR 30 HA TYR 30 46.616 7.427 16.906 223 HB2 TYR 30 HB2 TYR 30 45.910 8.330 14.405 224 HB3 TYR 30 HB3 TYR 30 46.783 9.707 15.069 225 HD1 TYR 30 HD1 TYR 30 47.234 5.993 15.220 226 HD2 TYR 30 HD2 TYR 30 48.963 9.780 14.340 227 HE1 TYR 30 HE1 TYR 30 49.367 4.889 14.690 228 HE2 TYR 30 HE2 TYR 30 51.100 8.686 13.807 229 HH TYR 30 HH TYR 30 51.973 5.806 14.732 230 H ASN 31 H ASN 31 47.377 8.260 18.725 231 HA ASN 31 HA ASN 31 47.982 10.962 19.082 232 HB2 ASN 31 HB2 ASN 31 45.264 10.429 19.589 233 HB3 ASN 31 HB3 ASN 31 46.023 10.603 21.168 234 HD21 ASN 31 HD21 ASN 31 45.969 12.577 21.927 235 HD22 ASN 31 HD22 ASN 31 46.007 14.034 20.998 236 H LYS 32 H LYS 32 49.762 10.781 20.255 237 HA LYS 32 HA LYS 32 51.297 10.045 21.768 238 HB2 LYS 32 HB2 LYS 32 48.828 10.503 23.166 239 HB3 LYS 32 HB3 LYS 32 49.693 9.171 23.922 240 HG2 LYS 32 HG2 LYS 32 51.523 10.501 24.459 241 HG3 LYS 32 HG3 LYS 32 51.086 11.742 23.282 242 HD2 LYS 32 HD2 LYS 32 49.226 12.445 24.624 243 HD3 LYS 32 HD3 LYS 32 49.451 11.089 25.731 244 HE2 LYS 32 HE2 LYS 32 51.903 12.266 25.807 245 HE3 LYS 32 HE3 LYS 32 50.852 13.664 25.581 246 HZ1 LYS 32 HZ1 LYS 32 51.195 11.984 27.889 247 HZ2 LYS 32 HZ2 LYS 32 49.572 12.243 27.492 248 HZ3 LYS 32 HZ3 LYS 32 50.593 13.561 27.780 Start of MODEL 2 1 H1 ARG 1 H ARG 1 5.222 6.270 3.765 2 HA ARG 1 HA ARG 1 4.265 3.950 4.118 3 HB2 ARG 1 HB2 ARG 1 2.168 4.777 2.867 4 HB3 ARG 1 HB3 ARG 1 3.076 4.439 1.399 5 HG2 ARG 1 HG2 ARG 1 2.963 2.184 1.679 6 HG3 ARG 1 HG3 ARG 1 2.907 2.294 3.440 7 HD2 ARG 1 HD2 ARG 1 0.577 3.497 2.802 8 HD3 ARG 1 HD3 ARG 1 0.724 2.363 1.460 9 HE ARG 1 HE ARG 1 0.201 1.731 4.219 10 HH11 ARG 1 HH11 ARG 1 1.400 0.543 1.174 11 HH12 ARG 1 HH12 ARG 1 1.088 -1.119 1.551 12 HH21 ARG 1 HH21 ARG 1 -0.215 -0.453 4.727 13 HH22 ARG 1 HH22 ARG 1 0.168 -1.685 3.572 14 H ARG 2 H ARG 2 5.652 5.823 1.539 15 HA ARG 2 HA ARG 2 6.899 3.710 0.129 16 HB2 ARG 2 HB2 ARG 2 6.958 6.631 0.113 17 HB3 ARG 2 HB3 ARG 2 8.519 5.914 -0.263 18 HG2 ARG 2 HG2 ARG 2 7.472 6.201 -2.331 19 HG3 ARG 2 HG3 ARG 2 7.276 4.486 -1.962 20 HD2 ARG 2 HD2 ARG 2 5.188 5.277 -2.783 21 HD3 ARG 2 HD3 ARG 2 5.011 5.036 -1.046 22 HE ARG 2 HE ARG 2 5.665 7.641 -1.208 23 HH11 ARG 2 HH11 ARG 2 3.283 5.705 -2.850 24 HH12 ARG 2 HH12 ARG 2 2.167 7.016 -3.052 25 HH21 ARG 2 HH21 ARG 2 4.205 9.374 -1.467 26 HH22 ARG 2 HH22 ARG 2 2.693 9.102 -2.265 27 H SER 3 H SER 3 8.296 2.348 1.030 28 HA SER 3 HA SER 3 10.790 3.203 2.034 29 HB2 SER 3 HB2 SER 3 9.954 3.770 4.110 30 HB3 SER 3 HB3 SER 3 8.651 2.585 4.027 31 HG SER 3 HG SER 3 11.038 2.346 5.187 32 H ARG 4 H ARG 4 8.741 0.508 3.120 33 HA ARG 4 HA ARG 4 10.778 -1.381 2.306 34 HB2 ARG 4 HB2 ARG 4 8.155 -1.644 3.763 35 HB3 ARG 4 HB3 ARG 4 9.079 -3.050 3.253 36 HG2 ARG 4 HG2 ARG 4 10.855 -1.308 4.600 37 HG3 ARG 4 HG3 ARG 4 9.396 -1.458 5.581 38 HD2 ARG 4 HD2 ARG 4 10.767 -3.858 4.411 39 HD3 ARG 4 HD3 ARG 4 11.274 -3.163 5.950 40 HE ARG 4 HE ARG 4 8.988 -4.788 5.485 41 HH11 ARG 4 HH11 ARG 4 10.161 -2.122 7.391 42 HH12 ARG 4 HH12 ARG 4 9.080 -2.421 8.712 43 HH21 ARG 4 HH21 ARG 4 7.559 -5.192 7.217 44 HH22 ARG 4 HH22 ARG 4 7.601 -4.168 8.612 45 H LYS 5 H LYS 5 10.079 -0.292 0.033 46 HA LYS 5 HA LYS 5 8.935 -2.445 -1.451 47 HB2 LYS 5 HB2 LYS 5 7.071 -0.673 -0.472 48 HB3 LYS 5 HB3 LYS 5 7.393 -0.032 -2.078 49 HG2 LYS 5 HG2 LYS 5 6.707 -2.032 -3.122 50 HG3 LYS 5 HG3 LYS 5 6.719 -2.919 -1.596 51 HD2 LYS 5 HD2 LYS 5 4.656 -2.228 -1.054 52 HD3 LYS 5 HD3 LYS 5 4.980 -0.571 -1.568 53 HE2 LYS 5 HE2 LYS 5 3.342 -1.239 -3.058 54 HE3 LYS 5 HE3 LYS 5 4.823 -1.552 -3.963 55 HZ1 LYS 5 HZ1 LYS 5 3.130 -3.372 -4.010 56 HZ2 LYS 5 HZ2 LYS 5 3.433 -3.627 -2.366 57 HZ3 LYS 5 HZ3 LYS 5 4.670 -3.851 -3.498 58 H ASN 6 H ASN 6 11.386 -0.918 -1.371 59 HA ASN 6 HA ASN 6 11.876 -0.625 -4.106 60 HB2 ASN 6 HB2 ASN 6 10.550 1.616 -3.041 61 HB3 ASN 6 HB3 ASN 6 12.235 2.098 -3.218 62 HD21 ASN 6 HD21 ASN 6 13.217 1.863 -5.310 63 HD22 ASN 6 HD22 ASN 6 12.241 1.969 -6.732 64 H GLY 7 H GLY 7 12.721 0.317 -0.828 65 HA2 GLY 7 HA2 GLY 7 15.491 -0.421 -1.372 66 HA3 GLY 7 HA3 GLY 7 15.213 1.228 -0.834 67 H ILE 8 H ILE 8 14.091 -2.027 0.103 68 HA ILE 8 HA ILE 8 13.639 -1.467 2.785 69 HB ILE 8 HB ILE 8 14.602 -4.111 1.693 70 HG12 ILE 8 HG12 ILE 8 11.795 -4.095 2.024 71 HG13 ILE 8 HG13 ILE 8 12.201 -2.629 1.139 72 HG21 ILE 8 HG21 ILE 8 14.624 -4.393 3.971 73 HG22 ILE 8 HG22 ILE 8 13.320 -3.237 4.235 74 HG23 ILE 8 HG23 ILE 8 12.959 -4.842 3.600 75 HD11 ILE 8 HD11 ILE 8 12.312 -5.433 0.303 76 HD12 ILE 8 HD12 ILE 8 12.059 -3.968 -0.646 77 HD13 ILE 8 HD13 ILE 8 13.692 -4.451 -0.187 78 H GLY 9 H GLY 9 16.590 -2.663 1.211 79 HA2 GLY 9 HA2 GLY 9 18.110 -1.704 3.537 80 HA3 GLY 9 HA3 GLY 9 18.351 -3.355 2.986 81 H TYR 10 H TYR 10 17.685 -0.970 0.597 82 HA TYR 10 HA TYR 10 20.211 -1.423 -0.666 83 HB2 TYR 10 HB2 TYR 10 17.842 0.322 -1.292 84 HB3 TYR 10 HB3 TYR 10 19.324 0.425 -2.235 85 HD1 TYR 10 HD1 TYR 10 16.852 -2.099 -1.023 86 HD2 TYR 10 HD2 TYR 10 19.564 -0.941 -4.090 87 HE1 TYR 10 HE1 TYR 10 16.103 -3.998 -2.394 88 HE2 TYR 10 HE2 TYR 10 18.822 -2.836 -5.470 89 HH TYR 10 HH TYR 10 17.714 -4.866 -5.366 90 H ALA 11 H ALA 11 18.656 1.580 0.479 91 HA ALA 11 HA ALA 11 21.056 3.095 0.351 92 HB1 ALA 11 HB1 ALA 11 18.279 3.553 1.097 93 HB2 ALA 11 HB2 ALA 11 19.421 4.473 2.077 94 HB3 ALA 11 HB3 ALA 11 19.438 4.633 0.321 95 H ILE 12 H ILE 12 19.213 1.750 3.086 96 HA ILE 12 HA ILE 12 20.848 2.603 5.154 97 HB ILE 12 HB ILE 12 19.330 -0.003 4.986 98 HG12 ILE 12 HG12 ILE 12 18.167 2.082 6.627 99 HG13 ILE 12 HG13 ILE 12 18.386 2.634 4.970 100 HG21 ILE 12 HG21 ILE 12 20.632 -0.357 6.830 101 HG22 ILE 12 HG22 ILE 12 20.791 1.362 7.185 102 HG23 ILE 12 HG23 ILE 12 19.292 0.517 7.573 103 HD11 ILE 12 HD11 ILE 12 17.201 0.537 4.243 104 HD12 ILE 12 HD12 ILE 12 16.794 0.284 5.941 105 HD13 ILE 12 HD13 ILE 12 16.219 1.724 5.101 106 H GLY 13 H GLY 13 21.010 -0.484 3.374 107 HA2 GLY 13 HA2 GLY 13 23.288 -1.472 4.709 108 HA3 GLY 13 HA3 GLY 13 22.714 -2.004 3.135 109 H TYR 14 H TYR 14 22.940 0.709 2.000 110 HA TYR 14 HA TYR 14 25.482 0.514 0.879 111 HB2 TYR 14 HB2 TYR 14 23.448 1.834 0.045 112 HB3 TYR 14 HB3 TYR 14 23.984 3.117 1.123 113 HD1 TYR 14 HD2 TYR 14 26.161 4.238 0.722 114 HD2 TYR 14 HD1 TYR 14 24.562 1.406 -2.023 115 HE1 TYR 14 HE2 TYR 14 27.705 5.053 -1.010 116 HE2 TYR 14 HE1 TYR 14 26.102 2.214 -3.762 117 HH TYR 14 HH TYR 14 28.749 3.829 -3.268 118 H ALA 15 H ALA 15 24.333 2.757 3.397 119 HA ALA 15 HA ALA 15 26.876 3.922 3.865 120 HB1 ALA 15 HB1 ALA 15 24.296 3.901 5.394 121 HB2 ALA 15 HB2 ALA 15 25.746 4.669 6.042 122 HB3 ALA 15 HB3 ALA 15 25.057 5.230 4.519 123 H PHE 16 H PHE 16 25.088 1.295 5.420 124 HA PHE 16 HA PHE 16 26.692 0.851 7.628 125 HB2 PHE 16 HB2 PHE 16 24.662 -0.588 6.192 126 HB3 PHE 16 HB3 PHE 16 25.947 -1.697 6.657 127 HD1 PHE 16 HD2 PHE 16 26.797 -1.270 9.178 128 HD2 PHE 16 HD1 PHE 16 22.926 -0.360 7.659 129 HE1 PHE 16 HE2 PHE 16 25.881 -1.374 11.459 130 HE2 PHE 16 HE1 PHE 16 22.004 -0.461 9.938 131 HZ PHE 16 HZ PHE 16 23.481 -0.969 11.842 132 H GLY 17 H GLY 17 27.015 -0.585 4.382 133 HA2 GLY 17 HA2 GLY 17 29.254 -2.161 4.851 134 HA3 GLY 17 HA3 GLY 17 28.840 -1.455 3.296 135 H ALA 18 H ALA 18 29.056 1.288 4.207 136 HA ALA 18 HA ALA 18 31.873 1.623 3.813 137 HB1 ALA 18 HB1 ALA 18 30.562 4.047 4.626 138 HB2 ALA 18 HB2 ALA 18 31.255 3.619 3.062 139 HB3 ALA 18 HB3 ALA 18 29.586 3.190 3.433 140 H VAL 19 H VAL 19 29.637 2.143 6.512 141 HA VAL 19 HA VAL 19 31.343 3.362 8.319 142 HB VAL 19 HB VAL 19 29.144 1.367 8.877 143 HG11 VAL 19 HG11 VAL 19 30.874 2.987 10.679 144 HG12 VAL 19 HG12 VAL 19 29.180 2.750 11.114 145 HG13 VAL 19 HG13 VAL 19 30.238 1.356 10.891 146 HG21 VAL 19 HG21 VAL 19 27.855 3.036 8.141 147 HG22 VAL 19 HG22 VAL 19 28.293 3.877 9.628 148 HG23 VAL 19 HG23 VAL 19 29.195 4.184 8.144 149 H GLU 20 H GLU 20 31.183 0.023 7.320 150 HA GLU 20 HA GLU 20 32.792 -0.992 9.463 151 HB2 GLU 20 HB2 GLU 20 32.501 -2.376 6.820 152 HB3 GLU 20 HB3 GLU 20 32.618 -3.073 8.429 153 HG2 GLU 20 HG2 GLU 20 30.316 -1.695 8.670 154 HG3 GLU 20 HG3 GLU 20 30.272 -2.096 6.954 155 H ARG 21 H ARG 21 33.383 -0.156 6.065 156 HA ARG 21 HA ARG 21 36.066 -0.923 5.939 157 HB2 ARG 21 HB2 ARG 21 34.303 0.895 4.397 158 HB3 ARG 21 HB3 ARG 21 36.034 1.141 4.212 159 HG2 ARG 21 HG2 ARG 21 36.020 -1.469 3.847 160 HG3 ARG 21 HG3 ARG 21 34.343 -1.158 3.394 161 HD2 ARG 21 HD2 ARG 21 34.920 -0.002 1.523 162 HD3 ARG 21 HD3 ARG 21 36.403 0.627 2.239 163 HE ARG 21 HE ARG 21 36.132 -1.729 0.659 164 HH11 ARG 21 HH11 ARG 21 37.928 -0.309 3.281 165 HH12 ARG 21 HH12 ARG 21 39.340 -1.276 3.010 166 HH21 ARG 21 HH21 ARG 21 37.984 -3.009 0.292 167 HH22 ARG 21 HH22 ARG 21 39.371 -2.811 1.309 168 H ALA 22 H ALA 22 34.557 1.993 7.169 169 HA ALA 22 HA ALA 22 36.783 3.664 7.329 170 HB1 ALA 22 HB1 ALA 22 34.687 4.644 7.722 171 HB2 ALA 22 HB2 ALA 22 34.285 3.481 8.985 172 HB3 ALA 22 HB3 ALA 22 35.517 4.708 9.277 173 H VAL 23 H VAL 23 35.515 1.362 9.727 174 HA VAL 23 HA VAL 23 37.723 1.830 11.524 175 HB VAL 23 HB VAL 23 35.827 -0.486 11.752 176 HG11 VAL 23 HG11 VAL 23 36.138 0.507 14.229 177 HG12 VAL 23 HG12 VAL 23 37.217 -0.698 13.523 178 HG13 VAL 23 HG13 VAL 23 37.668 1.007 13.511 179 HG21 VAL 23 HG21 VAL 23 35.256 2.407 12.357 180 HG22 VAL 23 HG22 VAL 23 34.339 1.313 11.321 181 HG23 VAL 23 HG23 VAL 23 34.347 1.074 13.069 182 H LEU 24 H LEU 24 36.908 -0.422 9.006 183 HA LEU 24 HA LEU 24 38.487 -2.603 9.611 184 HB2 LEU 24 HB2 LEU 24 36.956 -1.879 7.506 185 HB3 LEU 24 HB3 LEU 24 38.562 -1.726 6.799 186 HG LEU 24 HG LEU 24 38.947 -4.124 7.618 187 HD11 LEU 24 HD11 LEU 24 37.012 -5.486 7.974 188 HD12 LEU 24 HD12 LEU 24 35.935 -4.122 7.676 189 HD13 LEU 24 HD13 LEU 24 36.959 -4.139 9.112 190 HD21 LEU 24 HD21 LEU 24 38.085 -3.087 5.249 191 HD22 LEU 24 HD22 LEU 24 36.845 -4.294 5.586 192 HD23 LEU 24 HD23 LEU 24 38.542 -4.770 5.510 193 H GLY 25 H GLY 25 39.425 0.488 8.189 194 HA2 GLY 25 HA2 GLY 25 42.242 -0.289 8.609 195 HA3 GLY 25 HA3 GLY 25 41.738 0.534 7.140 196 H GLY 26 H GLY 26 40.154 1.448 10.052 197 HA2 GLY 26 HA2 GLY 26 41.664 3.981 10.014 198 HA3 GLY 26 HA3 GLY 26 40.003 3.806 10.563 199 H SER 27 H SER 27 40.689 1.319 12.041 200 HA SER 27 HA SER 27 41.047 2.366 14.572 201 HB2 SER 27 HB2 SER 27 40.663 -0.176 13.487 202 HB3 SER 27 HB3 SER 27 42.180 -0.304 14.378 203 HG SER 27 HG SER 27 39.601 0.259 15.311 204 H ARG 28 H ARG 28 42.908 1.751 16.080 205 HA ARG 28 HA ARG 28 45.059 2.092 16.735 206 HB2 ARG 28 HB2 ARG 28 45.223 0.187 14.873 207 HB3 ARG 28 HB3 ARG 28 46.133 1.439 14.038 208 HG2 ARG 28 HG2 ARG 28 47.336 1.571 16.414 209 HG3 ARG 28 HG3 ARG 28 46.816 -0.115 16.455 210 HD2 ARG 28 HD2 ARG 28 48.730 -0.500 15.345 211 HD3 ARG 28 HD3 ARG 28 47.824 0.065 13.942 212 HE ARG 28 HE ARG 28 48.962 2.284 15.209 213 HH11 ARG 28 HH11 ARG 28 49.940 -0.549 13.438 214 HH12 ARG 28 HH12 ARG 28 51.378 0.182 12.806 215 HH21 ARG 28 HH21 ARG 28 50.852 3.258 14.384 216 HH22 ARG 28 HH22 ARG 28 51.896 2.348 13.346 217 H ASP 29 H ASP 29 45.016 4.296 17.013 218 HA ASP 29 HA ASP 29 46.769 5.860 15.509 219 HB2 ASP 29 HB2 ASP 29 45.243 5.958 13.709 220 HB3 ASP 29 HB3 ASP 29 43.862 6.159 14.783 221 H TYR 30 H TYR 30 47.092 7.920 16.404 222 HA TYR 30 HA TYR 30 46.218 8.166 19.124 223 HB2 TYR 30 HB2 TYR 30 47.952 9.887 17.354 224 HB3 TYR 30 HB3 TYR 30 47.566 10.321 19.016 225 HD1 TYR 30 HD2 TYR 30 48.938 7.455 17.050 226 HD2 TYR 30 HD1 TYR 30 49.010 9.653 20.692 227 HE1 TYR 30 HE2 TYR 30 50.811 6.071 17.840 228 HE2 TYR 30 HE1 TYR 30 50.885 8.276 21.492 229 HH TYR 30 HH TYR 30 51.735 5.818 20.931 230 H ASN 31 H ASN 31 43.888 8.259 18.407 231 HA ASN 31 HA ASN 31 42.851 10.816 18.828 232 HB2 ASN 31 HB2 ASN 31 43.671 10.471 16.166 233 HB3 ASN 31 HB3 ASN 31 41.918 10.301 16.140 234 HD21 ASN 31 HD21 ASN 31 43.758 12.424 15.162 235 HD22 ASN 31 HD22 ASN 31 43.163 13.886 15.866 236 H LYS 32 H LYS 32 41.050 10.346 19.882 237 HA LYS 32 HA LYS 32 39.114 9.344 20.531 238 HB2 LYS 32 HB2 LYS 32 38.960 8.525 17.623 239 HB3 LYS 32 HB3 LYS 32 37.627 8.496 18.770 240 HG2 LYS 32 HG2 LYS 32 37.167 10.629 18.393 241 HG3 LYS 32 HG3 LYS 32 38.840 11.104 18.697 242 HD2 LYS 32 HD2 LYS 32 38.558 11.758 16.501 243 HD3 LYS 32 HD3 LYS 32 39.252 10.147 16.306 244 HE2 LYS 32 HE2 LYS 32 37.501 9.684 15.008 245 HE3 LYS 32 HE3 LYS 32 36.530 9.683 16.479 246 HZ1 LYS 32 HZ1 LYS 32 35.560 11.129 14.829 247 HZ2 LYS 32 HZ2 LYS 32 36.997 12.011 14.694 248 HZ3 LYS 32 HZ3 LYS 32 36.111 12.053 16.135 Start of MODEL 3 1 H1 ARG 1 H ARG 1 4.695 -0.817 -1.415 2 HA ARG 1 HA ARG 1 6.162 1.190 -2.998 3 HB2 ARG 1 HB2 ARG 1 4.137 1.867 -1.477 4 HB3 ARG 1 HB3 ARG 1 5.305 1.693 -0.174 5 HG2 ARG 1 HG2 ARG 1 5.860 3.805 -0.565 6 HG3 ARG 1 HG3 ARG 1 6.643 3.225 -2.036 7 HD2 ARG 1 HD2 ARG 1 3.718 3.805 -2.072 8 HD3 ARG 1 HD3 ARG 1 4.860 5.147 -2.129 9 HE ARG 1 HE ARG 1 4.236 3.343 -4.243 10 HH11 ARG 1 HH11 ARG 1 6.799 5.259 -2.872 11 HH12 ARG 1 HH12 ARG 1 7.650 5.430 -4.371 12 HH21 ARG 1 HH21 ARG 1 5.348 3.561 -6.223 13 HH22 ARG 1 HH22 ARG 1 6.823 4.464 -6.277 14 H ARG 2 H ARG 2 8.265 0.757 -2.960 15 HA ARG 2 HA ARG 2 9.585 0.345 -0.403 16 HB2 ARG 2 HB2 ARG 2 10.882 -1.597 -1.304 17 HB3 ARG 2 HB3 ARG 2 9.179 -1.933 -1.027 18 HG2 ARG 2 HG2 ARG 2 8.756 -1.595 -3.436 19 HG3 ARG 2 HG3 ARG 2 10.490 -1.371 -3.677 20 HD2 ARG 2 HD2 ARG 2 9.887 -3.787 -2.186 21 HD3 ARG 2 HD3 ARG 2 9.105 -3.767 -3.766 22 HE ARG 2 HE ARG 2 11.900 -4.057 -3.232 23 HH11 ARG 2 HH11 ARG 2 9.570 -2.906 -5.549 24 HH12 ARG 2 HH12 ARG 2 10.633 -3.090 -6.904 25 HH21 ARG 2 HH21 ARG 2 13.309 -4.304 -5.009 26 HH22 ARG 2 HH22 ARG 2 12.759 -3.887 -6.596 27 H SER 3 H SER 3 11.320 1.602 -0.325 28 HA SER 3 HA SER 3 13.292 1.796 -2.296 29 HB2 SER 3 HB2 SER 3 11.015 3.361 -2.908 30 HB3 SER 3 HB3 SER 3 12.273 4.482 -2.386 31 HG SER 3 HG SER 3 13.322 4.097 -4.163 32 H ARG 4 H ARG 4 11.605 3.349 0.362 33 HA ARG 4 HA ARG 4 14.129 3.790 1.713 34 HB2 ARG 4 HB2 ARG 4 13.164 5.876 0.231 35 HB3 ARG 4 HB3 ARG 4 12.442 6.197 1.802 36 HG2 ARG 4 HG2 ARG 4 15.261 5.504 1.978 37 HG3 ARG 4 HG3 ARG 4 14.958 6.937 0.994 38 HD2 ARG 4 HD2 ARG 4 13.532 7.793 2.887 39 HD3 ARG 4 HD3 ARG 4 14.151 6.455 3.854 40 HE ARG 4 HE ARG 4 16.232 8.021 2.667 41 HH11 ARG 4 HH11 ARG 4 14.018 7.817 5.346 42 HH12 ARG 4 HH12 ARG 4 15.005 8.772 6.403 43 HH21 ARG 4 HH21 ARG 4 17.539 9.280 4.049 44 HH22 ARG 4 HH22 ARG 4 17.007 9.604 5.663 45 H LYS 5 H LYS 5 11.866 2.092 2.162 46 HA LYS 5 HA LYS 5 11.322 2.817 4.904 47 HB2 LYS 5 HB2 LYS 5 9.499 3.739 3.142 48 HB3 LYS 5 HB3 LYS 5 8.852 2.127 3.420 49 HG2 LYS 5 HG2 LYS 5 8.741 2.557 5.805 50 HG3 LYS 5 HG3 LYS 5 9.455 4.154 5.566 51 HD2 LYS 5 HD2 LYS 5 7.492 5.045 4.980 52 HD3 LYS 5 HD3 LYS 5 7.131 3.716 3.876 53 HE2 LYS 5 HE2 LYS 5 5.883 2.623 5.401 54 HE3 LYS 5 HE3 LYS 5 6.954 3.050 6.734 55 HZ1 LYS 5 HZ1 LYS 5 4.796 4.689 5.540 56 HZ2 LYS 5 HZ2 LYS 5 5.975 5.347 6.558 57 HZ3 LYS 5 HZ3 LYS 5 4.932 4.148 7.137 58 H ASN 6 H ASN 6 10.625 0.602 2.227 59 HA ASN 6 HA ASN 6 9.758 -1.605 3.653 60 HB2 ASN 6 HB2 ASN 6 10.710 -1.069 0.995 61 HB3 ASN 6 HB3 ASN 6 11.394 -2.588 1.566 62 HD21 ASN 6 HD21 ASN 6 10.249 -4.179 0.742 63 HD22 ASN 6 HD22 ASN 6 8.524 -4.276 0.704 64 H GLY 7 H GLY 7 12.986 -0.333 3.274 65 HA2 GLY 7 HA2 GLY 7 14.074 -2.655 4.727 66 HA3 GLY 7 HA3 GLY 7 15.019 -1.543 3.747 67 H ILE 8 H ILE 8 13.566 -2.122 6.841 68 HA ILE 8 HA ILE 8 13.805 0.360 8.054 69 HB ILE 8 HB ILE 8 14.295 -2.331 9.335 70 HG12 ILE 8 HG12 ILE 8 11.764 -1.434 10.037 71 HG13 ILE 8 HG13 ILE 8 11.892 -1.014 8.333 72 HG21 ILE 8 HG21 ILE 8 15.096 -0.548 10.744 73 HG22 ILE 8 HG22 ILE 8 13.591 0.344 10.531 74 HG23 ILE 8 HG23 ILE 8 13.593 -1.183 11.412 75 HD11 ILE 8 HD11 ILE 8 12.680 -3.440 8.019 76 HD12 ILE 8 HD12 ILE 8 11.992 -3.707 9.622 77 HD13 ILE 8 HD13 ILE 8 10.967 -3.133 8.306 78 H GLY 9 H GLY 9 16.266 -1.930 7.175 79 HA2 GLY 9 HA2 GLY 9 18.314 0.006 7.867 80 HA3 GLY 9 HA3 GLY 9 18.387 -1.505 8.762 81 H TYR 10 H TYR 10 17.197 -1.633 5.536 82 HA TYR 10 HA TYR 10 19.306 -3.380 4.735 83 HB2 TYR 10 HB2 TYR 10 16.895 -2.219 3.377 84 HB3 TYR 10 HB3 TYR 10 18.114 -3.070 2.435 85 HD1 TYR 10 HD1 TYR 10 16.096 -3.541 5.548 86 HD2 TYR 10 HD2 TYR 10 17.824 -5.333 2.097 87 HE1 TYR 10 HE1 TYR 10 15.051 -5.686 6.146 88 HE2 TYR 10 HE2 TYR 10 16.783 -7.483 2.685 89 HH TYR 10 HH TYR 10 14.743 -7.806 5.577 90 H ALA 11 H ALA 11 18.218 -0.264 3.374 91 HA ALA 11 HA ALA 11 20.588 0.092 1.838 92 HB1 ALA 11 HB1 ALA 11 18.948 1.290 0.851 93 HB2 ALA 11 HB2 ALA 11 18.136 1.641 2.376 94 HB3 ALA 11 HB3 ALA 11 19.557 2.570 1.900 95 H ILE 12 H ILE 12 19.374 1.652 4.801 96 HA ILE 12 HA ILE 12 21.480 3.391 5.258 97 HB ILE 12 HB ILE 12 19.855 1.914 7.332 98 HG12 ILE 12 HG12 ILE 12 19.201 4.704 6.888 99 HG13 ILE 12 HG13 ILE 12 19.038 3.770 5.405 100 HG21 ILE 12 HG21 ILE 12 21.804 4.165 7.496 101 HG22 ILE 12 HG22 ILE 12 20.431 4.126 8.601 102 HG23 ILE 12 HG23 ILE 12 21.580 2.789 8.575 103 HD11 ILE 12 HD11 ILE 12 16.990 3.328 6.169 104 HD12 ILE 12 HD12 ILE 12 17.801 2.156 7.209 105 HD13 ILE 12 HD13 ILE 12 17.408 3.761 7.827 106 H GLY 13 H GLY 13 21.091 0.068 6.497 107 HA2 GLY 13 HA2 GLY 13 23.575 -0.040 7.826 108 HA3 GLY 13 HA3 GLY 13 22.626 -1.429 7.317 109 H TYR 14 H TYR 14 22.697 -0.577 4.488 110 HA TYR 14 HA TYR 14 24.879 -2.071 3.625 111 HB2 TYR 14 HB2 TYR 14 22.776 -1.382 2.326 112 HB3 TYR 14 HB3 TYR 14 23.629 0.116 1.971 113 HD1 TYR 14 HD1 TYR 14 25.699 0.066 0.605 114 HD2 TYR 14 HD2 TYR 14 23.328 -3.416 1.206 115 HE1 TYR 14 HE1 TYR 14 26.817 -1.017 -1.300 116 HE2 TYR 14 HE2 TYR 14 24.441 -4.509 -0.696 117 HH TYR 14 HH TYR 14 26.507 -2.782 -2.855 118 H ALA 15 H ALA 15 24.499 1.471 3.654 119 HA ALA 15 HA ALA 15 27.140 2.005 2.768 120 HB1 ALA 15 HB1 ALA 15 25.009 3.679 4.053 121 HB2 ALA 15 HB2 ALA 15 26.613 4.330 3.713 122 HB3 ALA 15 HB3 ALA 15 25.609 3.727 2.395 123 H PHE 16 H PHE 16 25.655 1.711 5.950 124 HA PHE 16 HA PHE 16 27.786 2.706 7.481 125 HB2 PHE 16 HB2 PHE 16 25.316 1.242 7.960 126 HB3 PHE 16 HB3 PHE 16 26.603 0.741 9.051 127 HD1 PHE 16 HD1 PHE 16 28.031 2.924 9.897 128 HD2 PHE 16 HD2 PHE 16 23.918 2.834 8.808 129 HE1 PHE 16 HE1 PHE 16 27.622 4.908 11.293 130 HE2 PHE 16 HE2 PHE 16 23.502 4.819 10.201 131 HZ PHE 16 HZ PHE 16 25.355 5.859 11.445 132 H GLY 17 H GLY 17 26.980 -0.637 6.555 133 HA2 GLY 17 HA2 GLY 17 29.112 -1.908 7.834 134 HA3 GLY 17 HA3 GLY 17 28.282 -2.520 6.412 135 H ALA 18 H ALA 18 29.013 -0.172 4.798 136 HA ALA 18 HA ALA 18 31.534 -1.147 3.852 137 HB1 ALA 18 HB1 ALA 18 29.738 -0.299 2.362 138 HB2 ALA 18 HB2 ALA 18 30.050 1.325 2.975 139 HB3 ALA 18 HB3 ALA 18 31.304 0.462 2.085 140 H VAL 19 H VAL 19 30.434 1.803 5.477 141 HA VAL 19 HA VAL 19 32.764 3.294 5.392 142 HB VAL 19 HB VAL 19 30.729 3.134 7.618 143 HG11 VAL 19 HG11 VAL 19 32.988 5.058 7.132 144 HG12 VAL 19 HG12 VAL 19 31.595 5.459 8.139 145 HG13 VAL 19 HG13 VAL 19 32.647 4.114 8.582 146 HG21 VAL 19 HG21 VAL 19 30.258 3.912 5.105 147 HG22 VAL 19 HG22 VAL 19 29.475 4.658 6.498 148 HG23 VAL 19 HG23 VAL 19 30.877 5.429 5.756 149 H GLU 20 H GLU 20 31.937 0.568 7.425 150 HA GLU 20 HA GLU 20 34.132 0.906 9.234 151 HB2 GLU 20 HB2 GLU 20 32.745 -1.714 8.796 152 HB3 GLU 20 HB3 GLU 20 33.394 -1.039 10.284 153 HG2 GLU 20 HG2 GLU 20 31.495 0.780 9.751 154 HG3 GLU 20 HG3 GLU 20 30.770 -0.644 9.007 155 H ARG 21 H ARG 21 33.462 -1.292 6.520 156 HA ARG 21 HA ARG 21 35.857 -2.725 6.601 157 HB2 ARG 21 HB2 ARG 21 33.730 -2.244 4.608 158 HB3 ARG 21 HB3 ARG 21 35.284 -2.740 3.950 159 HG2 ARG 21 HG2 ARG 21 34.621 -4.395 6.188 160 HG3 ARG 21 HG3 ARG 21 33.275 -4.361 5.047 161 HD2 ARG 21 HD2 ARG 21 34.907 -4.879 3.229 162 HD3 ARG 21 HD3 ARG 21 36.142 -5.089 4.470 163 HE ARG 21 HE ARG 21 34.069 -6.735 5.207 164 HH11 ARG 21 HH11 ARG 21 36.140 -6.388 2.431 165 HH12 ARG 21 HH12 ARG 21 36.083 -8.070 2.015 166 HH21 ARG 21 HH21 ARG 21 33.987 -8.951 4.671 167 HH22 ARG 21 HH22 ARG 21 34.858 -9.526 3.290 168 H ALA 22 H ALA 22 35.111 0.421 5.281 169 HA ALA 22 HA ALA 22 37.270 0.799 3.568 170 HB1 ALA 22 HB1 ALA 22 36.356 2.809 3.330 171 HB2 ALA 22 HB2 ALA 22 35.195 2.367 4.582 172 HB3 ALA 22 HB3 ALA 22 36.678 3.217 5.015 173 H VAL 23 H VAL 23 37.025 1.569 7.038 174 HA VAL 23 HA VAL 23 39.814 2.293 7.188 175 HB VAL 23 HB VAL 23 38.073 1.789 9.580 176 HG11 VAL 23 HG11 VAL 23 39.473 3.305 10.677 177 HG12 VAL 23 HG12 VAL 23 40.572 2.365 9.665 178 HG13 VAL 23 HG13 VAL 23 40.077 3.983 9.165 179 HG21 VAL 23 HG21 VAL 23 36.657 3.114 8.202 180 HG22 VAL 23 HG22 VAL 23 37.379 4.198 9.391 181 HG23 VAL 23 HG23 VAL 23 37.990 4.170 7.737 182 H LEU 24 H LEU 24 37.868 -0.527 7.769 183 HA LEU 24 HA LEU 24 39.479 -1.978 9.500 184 HB2 LEU 24 HB2 LEU 24 37.165 -2.453 8.173 185 HB3 LEU 24 HB3 LEU 24 38.269 -3.514 7.301 186 HG LEU 24 HG LEU 24 38.773 -4.034 9.989 187 HD11 LEU 24 HD11 LEU 24 36.352 -4.713 10.626 188 HD12 LEU 24 HD12 LEU 24 35.886 -3.438 9.502 189 HD13 LEU 24 HD13 LEU 24 36.891 -3.056 10.900 190 HD21 LEU 24 HD21 LEU 24 37.040 -5.509 8.008 191 HD22 LEU 24 HD22 LEU 24 37.720 -6.195 9.484 192 HD23 LEU 24 HD23 LEU 24 38.789 -5.660 8.185 193 H GLY 25 H GLY 25 39.794 -1.439 6.044 194 HA2 GLY 25 HA2 GLY 25 41.835 -3.403 5.642 195 HA3 GLY 25 HA3 GLY 25 41.392 -2.119 4.527 196 H GLY 26 H GLY 26 41.930 0.161 5.810 197 HA2 GLY 26 HA2 GLY 26 44.842 -0.017 6.184 198 HA3 GLY 26 HA3 GLY 26 43.960 1.422 5.692 199 H SER 27 H SER 27 44.119 2.931 7.201 200 HA SER 27 HA SER 27 43.126 2.545 9.826 201 HB2 SER 27 HB2 SER 27 45.039 1.582 10.637 202 HB3 SER 27 HB3 SER 27 46.059 2.314 9.399 203 HG SER 27 HG SER 27 46.431 3.936 10.684 204 H ARG 28 H ARG 28 41.992 4.391 9.755 205 HA ARG 28 HA ARG 28 43.453 6.894 9.815 206 HB2 ARG 28 HB2 ARG 28 42.553 6.138 7.379 207 HB3 ARG 28 HB3 ARG 28 41.130 6.973 7.986 208 HG2 ARG 28 HG2 ARG 28 42.418 8.985 8.347 209 HG3 ARG 28 HG3 ARG 28 43.895 8.155 7.854 210 HD2 ARG 28 HD2 ARG 28 43.480 8.810 5.771 211 HD3 ARG 28 HD3 ARG 28 42.083 7.735 5.773 212 HE ARG 28 HE ARG 28 40.709 9.563 5.970 213 HH11 ARG 28 HH11 ARG 28 44.000 10.507 6.604 214 HH12 ARG 28 HH12 ARG 28 43.649 12.203 6.613 215 HH21 ARG 28 HH21 ARG 28 40.235 11.794 5.979 216 HH22 ARG 28 HH22 ARG 28 41.507 12.935 6.259 217 H ASP 29 H ASP 29 42.120 5.586 11.853 218 HA ASP 29 HA ASP 29 40.479 7.590 12.889 219 HB2 ASP 29 HB2 ASP 29 39.098 5.875 11.087 220 HB3 ASP 29 HB3 ASP 29 38.529 5.510 12.714 221 H TYR 30 H TYR 30 40.632 7.395 15.021 222 HA TYR 30 HA TYR 30 40.332 4.877 16.363 223 HB2 TYR 30 HB2 TYR 30 43.031 6.055 15.925 224 HB3 TYR 30 HB3 TYR 30 42.692 5.369 17.510 225 HD1 TYR 30 HD2 TYR 30 41.296 2.989 17.191 226 HD2 TYR 30 HD1 TYR 30 44.190 4.634 14.542 227 HE1 TYR 30 HE2 TYR 30 41.770 0.738 16.321 228 HE2 TYR 30 HE1 TYR 30 44.672 2.387 13.664 229 HH TYR 30 HH TYR 30 43.112 0.070 13.585 230 H ASN 31 H ASN 31 39.269 7.658 16.313 231 HA ASN 31 HA ASN 31 38.735 7.968 19.036 232 HB2 ASN 31 HB2 ASN 31 41.269 9.005 18.323 233 HB3 ASN 31 HB3 ASN 31 40.209 10.390 18.568 234 HD21 ASN 31 HD21 ASN 31 38.564 9.546 20.545 235 HD22 ASN 31 HD22 ASN 31 39.467 9.250 21.988 236 H LYS 32 H LYS 32 36.667 8.430 18.528 237 HA LYS 32 HA LYS 32 36.112 10.588 16.628 238 HB2 LYS 32 HB2 LYS 32 33.841 9.775 16.585 239 HB3 LYS 32 HB3 LYS 32 34.933 8.414 16.366 240 HG2 LYS 32 HG2 LYS 32 34.670 7.892 18.782 241 HG3 LYS 32 HG3 LYS 32 33.453 9.168 18.876 242 HD2 LYS 32 HD2 LYS 32 31.888 7.925 17.829 243 HD3 LYS 32 HD3 LYS 32 33.055 7.210 16.714 244 HE2 LYS 32 HE2 LYS 32 33.877 5.962 18.868 245 HE3 LYS 32 HE3 LYS 32 32.257 6.337 19.454 246 HZ1 LYS 32 HZ1 LYS 32 32.698 4.135 18.189 247 HZ2 LYS 32 HZ2 LYS 32 32.585 5.103 16.807 248 HZ3 LYS 32 HZ3 LYS 32 31.281 5.007 17.880 Start of MODEL 4 1 H1 ARG 1 H ARG 1 3.683 0.928 -1.824 2 HA ARG 1 HA ARG 1 4.804 1.412 -4.459 3 HB2 ARG 1 HB2 ARG 1 4.801 3.447 -2.249 4 HB3 ARG 1 HB3 ARG 1 6.106 3.405 -3.427 5 HG2 ARG 1 HG2 ARG 1 4.783 4.853 -4.524 6 HG3 ARG 1 HG3 ARG 1 3.997 3.376 -5.086 7 HD2 ARG 1 HD2 ARG 1 2.114 4.264 -4.273 8 HD3 ARG 1 HD3 ARG 1 2.756 3.845 -2.685 9 HE ARG 1 HE ARG 1 3.115 6.072 -2.276 10 HH11 ARG 1 HH11 ARG 1 2.516 5.605 -5.674 11 HH12 ARG 1 HH12 ARG 1 2.412 7.299 -6.021 12 HH21 ARG 1 HH21 ARG 1 2.979 8.305 -2.721 13 HH22 ARG 1 HH22 ARG 1 2.676 8.834 -4.341 14 H ARG 2 H ARG 2 5.903 -0.533 -4.188 15 HA ARG 2 HA ARG 2 7.469 -1.131 -1.891 16 HB2 ARG 2 HB2 ARG 2 6.523 -2.775 -3.599 17 HB3 ARG 2 HB3 ARG 2 7.860 -2.304 -4.640 18 HG2 ARG 2 HG2 ARG 2 9.021 -2.908 -2.173 19 HG3 ARG 2 HG3 ARG 2 7.813 -4.164 -2.453 20 HD2 ARG 2 HD2 ARG 2 9.937 -3.333 -4.426 21 HD3 ARG 2 HD3 ARG 2 10.042 -4.735 -3.361 22 HE ARG 2 HE ARG 2 7.720 -5.141 -4.682 23 HH11 ARG 2 HH11 ARG 2 10.964 -4.426 -5.722 24 HH12 ARG 2 HH12 ARG 2 10.810 -5.277 -7.224 25 HH21 ARG 2 HH21 ARG 2 7.504 -6.264 -6.656 26 HH22 ARG 2 HH22 ARG 2 8.841 -6.321 -7.754 27 H SER 3 H SER 3 8.834 0.619 -1.506 28 HA SER 3 HA SER 3 11.343 0.535 -2.846 29 HB2 SER 3 HB2 SER 3 10.289 1.872 -4.536 30 HB3 SER 3 HB3 SER 3 9.554 2.925 -3.327 31 HG SER 3 HG SER 3 11.832 3.294 -4.526 32 H ARG 4 H ARG 4 9.639 3.263 -1.330 33 HA ARG 4 HA ARG 4 11.785 3.544 0.593 34 HB2 ARG 4 HB2 ARG 4 9.346 5.156 -0.095 35 HB3 ARG 4 HB3 ARG 4 10.249 5.481 1.379 36 HG2 ARG 4 HG2 ARG 4 11.913 5.295 -1.018 37 HG3 ARG 4 HG3 ARG 4 10.738 6.611 -1.048 38 HD2 ARG 4 HD2 ARG 4 11.676 7.670 0.768 39 HD3 ARG 4 HD3 ARG 4 12.376 6.183 1.406 40 HE ARG 4 HE ARG 4 13.563 6.892 -1.074 41 HH11 ARG 4 HH11 ARG 4 13.530 7.700 2.312 42 HH12 ARG 4 HH12 ARG 4 15.150 8.314 2.315 43 HH21 ARG 4 HH21 ARG 4 15.696 7.699 -1.083 44 HH22 ARG 4 HH22 ARG 4 16.381 8.314 0.383 45 H LYS 5 H LYS 5 10.810 1.176 1.153 46 HA LYS 5 HA LYS 5 9.943 1.357 3.819 47 HB2 LYS 5 HB2 LYS 5 7.833 1.631 2.016 48 HB3 LYS 5 HB3 LYS 5 7.753 -0.049 2.530 49 HG2 LYS 5 HG2 LYS 5 8.179 1.704 4.780 50 HG3 LYS 5 HG3 LYS 5 6.742 2.167 3.866 51 HD2 LYS 5 HD2 LYS 5 6.065 -0.271 3.953 52 HD3 LYS 5 HD3 LYS 5 7.364 -0.497 5.126 53 HE2 LYS 5 HE2 LYS 5 5.898 0.088 6.697 54 HE3 LYS 5 HE3 LYS 5 5.986 1.726 6.051 55 HZ1 LYS 5 HZ1 LYS 5 4.225 0.544 4.393 56 HZ2 LYS 5 HZ2 LYS 5 3.802 1.474 5.741 57 HZ3 LYS 5 HZ3 LYS 5 3.861 -0.212 5.862 58 H ASN 6 H ASN 6 9.951 -0.635 0.897 59 HA ASN 6 HA ASN 6 9.951 -3.152 2.093 60 HB2 ASN 6 HB2 ASN 6 9.629 -3.046 -0.256 61 HB3 ASN 6 HB3 ASN 6 11.131 -2.158 -0.498 62 HD21 ASN 6 HD21 ASN 6 9.687 -5.255 0.063 63 HD22 ASN 6 HD22 ASN 6 11.095 -6.201 -0.264 64 H GLY 7 H GLY 7 12.488 -0.794 1.775 65 HA2 GLY 7 HA2 GLY 7 14.577 -2.681 2.494 66 HA3 GLY 7 HA3 GLY 7 14.781 -0.962 2.191 67 H ILE 8 H ILE 8 13.447 -3.251 4.553 68 HA ILE 8 HA ILE 8 13.042 -1.520 6.673 69 HB ILE 8 HB ILE 8 14.026 -4.371 6.838 70 HG12 ILE 8 HG12 ILE 8 11.968 -4.164 5.520 71 HG13 ILE 8 HG13 ILE 8 11.649 -4.953 7.061 72 HG21 ILE 8 HG21 ILE 8 12.648 -4.180 9.042 73 HG22 ILE 8 HG22 ILE 8 14.306 -3.583 8.985 74 HG23 ILE 8 HG23 ILE 8 12.958 -2.453 8.860 75 HD11 ILE 8 HD11 ILE 8 11.104 -2.063 6.429 76 HD12 ILE 8 HD12 ILE 8 9.906 -3.356 6.482 77 HD13 ILE 8 HD13 ILE 8 10.755 -2.879 7.953 78 H GLY 9 H GLY 9 16.008 -3.262 5.778 79 HA2 GLY 9 HA2 GLY 9 17.521 -1.300 7.367 80 HA3 GLY 9 HA3 GLY 9 17.826 -3.016 7.591 81 H TYR 10 H TYR 10 17.026 -1.897 4.425 82 HA TYR 10 HA TYR 10 19.554 -2.790 3.408 83 HB2 TYR 10 HB2 TYR 10 17.092 -1.598 2.155 84 HB3 TYR 10 HB3 TYR 10 18.557 -1.858 1.214 85 HD1 TYR 10 HD1 TYR 10 16.487 -3.793 3.663 86 HD2 TYR 10 HD2 TYR 10 18.595 -3.788 -0.033 87 HE1 TYR 10 HE1 TYR 10 15.825 -6.132 3.290 88 HE2 TYR 10 HE2 TYR 10 17.937 -6.127 -0.417 89 HH TYR 10 HH TYR 10 15.554 -7.698 1.452 90 H ALA 11 H ALA 11 17.867 0.345 3.149 91 HA ALA 11 HA ALA 11 20.085 1.781 2.206 92 HB1 ALA 11 HB1 ALA 11 18.702 3.557 2.174 93 HB2 ALA 11 HB2 ALA 11 17.462 2.343 2.494 94 HB3 ALA 11 HB3 ALA 11 18.139 3.284 3.823 95 H ILE 12 H ILE 12 18.787 1.429 5.497 96 HA ILE 12 HA ILE 12 20.629 3.108 6.782 97 HB ILE 12 HB ILE 12 19.368 0.661 8.012 98 HG12 ILE 12 HG12 ILE 12 17.845 2.936 8.645 99 HG13 ILE 12 HG13 ILE 12 18.118 3.022 6.908 100 HG21 ILE 12 HG21 ILE 12 21.060 1.713 9.386 101 HG22 ILE 12 HG22 ILE 12 20.290 3.285 9.175 102 HG23 ILE 12 HG23 ILE 12 19.462 2.011 10.071 103 HD11 ILE 12 HD11 ILE 12 17.224 0.749 6.678 104 HD12 ILE 12 HD12 ILE 12 16.905 0.716 8.412 105 HD13 ILE 12 HD13 ILE 12 16.056 1.867 7.381 106 H GLY 13 H GLY 13 20.680 -0.421 6.304 107 HA2 GLY 13 HA2 GLY 13 23.161 -0.837 7.602 108 HA3 GLY 13 HA3 GLY 13 22.388 -1.947 6.480 109 H TYR 14 H TYR 14 22.333 0.102 4.344 110 HA TYR 14 HA TYR 14 24.657 -0.592 2.992 111 HB2 TYR 14 HB2 TYR 14 22.482 0.428 2.076 112 HB3 TYR 14 HB3 TYR 14 23.190 1.988 2.479 113 HD1 TYR 14 HD2 TYR 14 25.237 2.755 1.316 114 HD2 TYR 14 HD1 TYR 14 23.229 -0.820 0.179 115 HE1 TYR 14 HE2 TYR 14 26.442 2.767 -0.829 116 HE2 TYR 14 HE1 TYR 14 24.428 -0.818 -1.969 117 HH TYR 14 HH TYR 14 27.016 0.515 -2.628 118 H ALA 15 H ALA 15 23.909 2.477 4.640 119 HA ALA 15 HA ALA 15 26.494 3.588 4.228 120 HB1 ALA 15 HB1 ALA 15 24.188 4.316 6.005 121 HB2 ALA 15 HB2 ALA 15 25.718 5.192 6.064 122 HB3 ALA 15 HB3 ALA 15 24.785 5.148 4.568 123 H PHE 16 H PHE 16 24.938 2.015 7.007 124 HA PHE 16 HA PHE 16 26.932 2.322 8.893 125 HB2 PHE 16 HB2 PHE 16 24.678 0.498 8.483 126 HB3 PHE 16 HB3 PHE 16 25.991 -0.215 9.414 127 HD1 PHE 16 HD1 PHE 16 27.001 1.645 11.174 128 HD2 PHE 16 HD2 PHE 16 22.997 1.373 9.755 129 HE1 PHE 16 HE1 PHE 16 26.211 2.819 13.187 130 HE2 PHE 16 HE2 PHE 16 22.201 2.547 11.765 131 HZ PHE 16 HZ PHE 16 23.809 3.273 13.484 132 H GLY 17 H GLY 17 26.560 -0.311 6.525 133 HA2 GLY 17 HA2 GLY 17 28.751 -1.852 7.248 134 HA3 GLY 17 HA3 GLY 17 28.105 -1.746 5.617 135 H ALA 18 H ALA 18 28.647 1.081 5.311 136 HA ALA 18 HA ALA 18 31.364 0.881 4.427 137 HB1 ALA 18 HB1 ALA 18 30.784 2.530 3.053 138 HB2 ALA 18 HB2 ALA 18 29.158 2.418 3.728 139 HB3 ALA 18 HB3 ALA 18 30.312 3.572 4.395 140 H VAL 19 H VAL 19 29.679 2.683 6.971 141 HA VAL 19 HA VAL 19 31.751 4.278 7.880 142 HB VAL 19 HB VAL 19 29.568 2.951 9.491 143 HG11 VAL 19 HG11 VAL 19 30.171 5.203 10.855 144 HG12 VAL 19 HG12 VAL 19 30.835 3.613 11.235 145 HG13 VAL 19 HG13 VAL 19 31.768 4.750 10.261 146 HG21 VAL 19 HG21 VAL 19 29.281 4.768 7.509 147 HG22 VAL 19 HG22 VAL 19 28.192 4.632 8.889 148 HG23 VAL 19 HG23 VAL 19 29.484 5.832 8.900 149 H GLU 20 H GLU 20 31.175 0.866 8.396 150 HA GLU 20 HA GLU 20 33.110 0.579 10.489 151 HB2 GLU 20 HB2 GLU 20 32.201 -1.695 8.761 152 HB3 GLU 20 HB3 GLU 20 32.592 -1.693 10.475 153 HG2 GLU 20 HG2 GLU 20 30.482 -0.011 10.451 154 HG3 GLU 20 HG3 GLU 20 30.068 -1.076 9.109 155 H ARG 21 H ARG 21 33.060 -0.128 7.012 156 HA ARG 21 HA ARG 21 35.603 -1.261 6.806 157 HB2 ARG 21 HB2 ARG 21 33.629 -0.104 4.971 158 HB3 ARG 21 HB3 ARG 21 35.289 0.044 4.410 159 HG2 ARG 21 HG2 ARG 21 34.495 -1.965 3.504 160 HG3 ARG 21 HG3 ARG 21 35.512 -2.440 4.866 161 HD2 ARG 21 HD2 ARG 21 33.424 -2.560 6.254 162 HD3 ARG 21 HD3 ARG 21 32.504 -2.326 4.768 163 HE ARG 21 HE ARG 21 34.238 -4.462 4.352 164 HH11 ARG 21 HH11 ARG 21 31.510 -3.664 6.362 165 HH12 ARG 21 HH12 ARG 21 30.960 -5.302 6.492 166 HH21 ARG 21 HH21 ARG 21 33.524 -6.622 4.515 167 HH22 ARG 21 HH22 ARG 21 32.108 -6.984 5.442 168 H ALA 22 H ALA 22 34.595 2.064 7.057 169 HA ALA 22 HA ALA 22 36.867 3.362 6.086 170 HB1 ALA 22 HB1 ALA 22 35.861 5.240 6.789 171 HB2 ALA 22 HB2 ALA 22 34.499 4.176 7.138 172 HB3 ALA 22 HB3 ALA 22 35.621 4.621 8.423 173 H VAL 23 H VAL 23 36.103 2.345 9.412 174 HA VAL 23 HA VAL 23 38.718 3.100 10.368 175 HB VAL 23 HB VAL 23 36.801 1.370 11.898 176 HG11 VAL 23 HG11 VAL 23 38.881 3.420 12.620 177 HG12 VAL 23 HG12 VAL 23 37.721 2.774 13.782 178 HG13 VAL 23 HG13 VAL 23 38.875 1.697 12.995 179 HG21 VAL 23 HG21 VAL 23 35.333 3.046 11.162 180 HG22 VAL 23 HG22 VAL 23 35.857 3.581 12.758 181 HG23 VAL 23 HG23 VAL 23 36.558 4.306 11.311 182 H LEU 24 H LEU 24 37.156 0.223 9.202 183 HA LEU 24 HA LEU 24 38.748 -1.767 10.300 184 HB2 LEU 24 HB2 LEU 24 36.705 -1.693 8.514 185 HB3 LEU 24 HB3 LEU 24 38.053 -2.134 7.469 186 HG LEU 24 HG LEU 24 38.404 -3.907 9.471 187 HD11 LEU 24 HD11 LEU 24 35.919 -4.780 9.686 188 HD12 LEU 24 HD12 LEU 24 35.559 -3.061 9.529 189 HD13 LEU 24 HD13 LEU 24 36.601 -3.627 10.834 190 HD21 LEU 24 HD21 LEU 24 37.239 -3.909 6.809 191 HD22 LEU 24 HD22 LEU 24 36.615 -5.211 7.822 192 HD23 LEU 24 HD23 LEU 24 38.352 -5.053 7.559 193 H GLY 25 H GLY 25 39.297 0.215 7.414 194 HA2 GLY 25 HA2 GLY 25 42.097 0.165 7.661 195 HA3 GLY 25 HA3 GLY 25 41.620 -1.072 6.507 196 H GLY 26 H GLY 26 40.344 2.195 7.126 197 HA2 GLY 26 HA2 GLY 26 40.773 2.764 4.261 198 HA3 GLY 26 HA3 GLY 26 39.495 3.473 5.238 199 H SER 27 H SER 27 39.975 5.170 6.654 200 HA SER 27 HA SER 27 42.031 6.909 5.781 201 HB2 SER 27 HB2 SER 27 40.249 8.094 6.645 202 HB3 SER 27 HB3 SER 27 39.991 6.951 7.964 203 HG SER 27 HG SER 27 42.203 8.721 7.774 204 H ARG 28 H ARG 28 41.911 4.421 8.155 205 HA ARG 28 HA ARG 28 43.437 3.591 9.624 206 HB2 ARG 28 HB2 ARG 28 45.107 4.940 7.559 207 HB3 ARG 28 HB3 ARG 28 45.899 4.431 9.045 208 HG2 ARG 28 HG2 ARG 28 45.492 2.182 8.643 209 HG3 ARG 28 HG3 ARG 28 44.197 2.523 7.494 210 HD2 ARG 28 HD2 ARG 28 45.667 2.341 5.841 211 HD3 ARG 28 HD3 ARG 28 46.512 3.752 6.476 212 HE ARG 28 HE ARG 28 48.179 2.360 7.158 213 HH11 ARG 28 HH11 ARG 28 45.261 0.493 6.803 214 HH12 ARG 28 HH12 ARG 28 46.033 -1.020 7.146 215 HH21 ARG 28 HH21 ARG 28 49.206 0.374 7.610 216 HH22 ARG 28 HH22 ARG 28 48.277 -1.086 7.605 217 H ASP 29 H ASP 29 42.701 4.630 11.464 218 HA ASP 29 HA ASP 29 44.506 6.243 12.852 219 HB2 ASP 29 HB2 ASP 29 42.935 7.736 11.036 220 HB3 ASP 29 HB3 ASP 29 42.307 8.079 12.645 221 H TYR 30 H TYR 30 43.985 6.372 15.001 222 HA TYR 30 HA TYR 30 41.324 6.088 15.986 223 HB2 TYR 30 HB2 TYR 30 41.899 3.884 17.205 224 HB3 TYR 30 HB3 TYR 30 41.427 3.798 15.512 225 HD1 TYR 30 HD1 TYR 30 44.597 4.338 17.431 226 HD2 TYR 30 HD2 TYR 30 42.634 2.302 14.252 227 HE1 TYR 30 HE1 TYR 30 46.684 3.142 16.917 228 HE2 TYR 30 HE2 TYR 30 44.715 1.099 13.730 229 HH TYR 30 HH TYR 30 47.050 0.588 15.544 230 H ASN 31 H ASN 31 43.678 7.782 16.312 231 HA ASN 31 HA ASN 31 45.105 7.357 18.644 232 HB2 ASN 31 HB2 ASN 31 44.206 9.843 17.222 233 HB3 ASN 31 HB3 ASN 31 45.054 9.965 18.760 234 HD21 ASN 31 HD21 ASN 31 47.113 8.672 18.869 235 HD22 ASN 31 HD22 ASN 31 48.129 8.711 17.472 236 H LYS 32 H LYS 32 42.001 9.053 18.258 237 HA LYS 32 HA LYS 32 41.015 8.133 20.756 238 HB2 LYS 32 HB2 LYS 32 40.966 10.187 22.003 239 HB3 LYS 32 HB3 LYS 32 42.631 9.870 21.532 240 HG2 LYS 32 HG2 LYS 32 42.631 12.005 20.879 241 HG3 LYS 32 HG3 LYS 32 41.768 11.406 19.461 242 HD2 LYS 32 HD2 LYS 32 40.117 12.801 20.006 243 HD3 LYS 32 HD3 LYS 32 39.792 11.749 21.386 244 HE2 LYS 32 HE2 LYS 32 41.560 14.190 21.323 245 HE3 LYS 32 HE3 LYS 32 40.027 14.006 22.174 246 HZ1 LYS 32 HZ1 LYS 32 41.677 13.721 23.787 247 HZ2 LYS 32 HZ2 LYS 32 42.624 12.733 22.793 248 HZ3 LYS 32 HZ3 LYS 32 41.169 12.148 23.428 Start of MODEL 5 1 H1 ARG 1 H ARG 1 14.377 -2.628 -7.250 2 HA ARG 1 HA ARG 1 14.608 0.230 -6.987 3 HB2 ARG 1 HB2 ARG 1 12.259 0.292 -7.548 4 HB3 ARG 1 HB3 ARG 1 13.074 -0.840 -8.619 5 HG2 ARG 1 HG2 ARG 1 12.287 -2.689 -7.142 6 HG3 ARG 1 HG3 ARG 1 11.338 -1.497 -6.253 7 HD2 ARG 1 HD2 ARG 1 9.776 -1.368 -7.860 8 HD3 ARG 1 HD3 ARG 1 10.971 -1.401 -9.155 9 HE ARG 1 HE ARG 1 10.757 -3.954 -7.969 10 HH11 ARG 1 HH11 ARG 1 9.031 -1.766 -10.055 11 HH12 ARG 1 HH12 ARG 1 8.192 -3.025 -10.899 12 HH21 ARG 1 HH21 ARG 1 9.659 -5.621 -9.073 13 HH22 ARG 1 HH22 ARG 1 8.549 -5.217 -10.339 14 H ARG 2 H ARG 2 12.511 1.166 -5.697 15 HA ARG 2 HA ARG 2 12.247 -0.117 -3.102 16 HB2 ARG 2 HB2 ARG 2 12.899 1.978 -1.909 17 HB3 ARG 2 HB3 ARG 2 14.233 1.180 -2.731 18 HG2 ARG 2 HG2 ARG 2 12.886 3.182 -4.371 19 HG3 ARG 2 HG3 ARG 2 13.615 3.835 -2.902 20 HD2 ARG 2 HD2 ARG 2 15.027 2.120 -4.943 21 HD3 ARG 2 HD3 ARG 2 15.160 3.873 -4.818 22 HE ARG 2 HE ARG 2 15.821 2.757 -2.339 23 HH11 ARG 2 HH11 ARG 2 17.046 2.908 -5.595 24 HH12 ARG 2 HH12 ARG 2 18.704 2.750 -5.117 25 HH21 ARG 2 HH21 ARG 2 18.000 2.549 -1.698 26 HH22 ARG 2 HH22 ARG 2 19.245 2.545 -2.901 27 H SER 3 H SER 3 10.867 1.456 -1.638 28 HA SER 3 HA SER 3 9.036 3.176 -3.001 29 HB2 SER 3 HB2 SER 3 8.429 0.386 -2.973 30 HB3 SER 3 HB3 SER 3 7.288 1.209 -1.910 31 HG SER 3 HG SER 3 6.721 2.554 -3.615 32 H ARG 4 H ARG 4 10.792 3.029 -0.614 33 HA ARG 4 HA ARG 4 10.815 3.654 1.577 34 HB2 ARG 4 HB2 ARG 4 9.232 5.426 0.211 35 HB3 ARG 4 HB3 ARG 4 8.168 4.925 1.519 36 HG2 ARG 4 HG2 ARG 4 10.808 5.490 2.517 37 HG3 ARG 4 HG3 ARG 4 10.167 6.861 1.609 38 HD2 ARG 4 HD2 ARG 4 8.051 6.602 2.969 39 HD3 ARG 4 HD3 ARG 4 8.948 5.476 3.986 40 HE ARG 4 HE ARG 4 9.139 8.325 3.995 41 HH11 ARG 4 HH11 ARG 4 10.915 5.384 4.555 42 HH12 ARG 4 HH12 ARG 4 12.036 6.116 5.656 43 HH21 ARG 4 HH21 ARG 4 10.607 9.301 5.442 44 HH22 ARG 4 HH22 ARG 4 11.859 8.344 6.160 45 H LYS 5 H LYS 5 9.580 1.098 0.919 46 HA LYS 5 HA LYS 5 8.350 0.588 3.469 47 HB2 LYS 5 HB2 LYS 5 6.586 1.333 1.556 48 HB3 LYS 5 HB3 LYS 5 6.649 -0.400 1.260 49 HG2 LYS 5 HG2 LYS 5 6.228 0.634 4.031 50 HG3 LYS 5 HG3 LYS 5 4.884 0.559 2.890 51 HD2 LYS 5 HD2 LYS 5 4.903 -1.740 2.811 52 HD3 LYS 5 HD3 LYS 5 6.611 -1.846 3.243 53 HE2 LYS 5 HE2 LYS 5 5.107 -0.622 5.368 54 HE3 LYS 5 HE3 LYS 5 4.394 -2.173 4.926 55 HZ1 LYS 5 HZ1 LYS 5 7.298 -2.054 5.243 56 HZ2 LYS 5 HZ2 LYS 5 6.224 -3.312 5.595 57 HZ3 LYS 5 HZ3 LYS 5 6.357 -1.994 6.648 58 H ASN 6 H ASN 6 9.078 -0.646 0.230 59 HA ASN 6 HA ASN 6 9.100 -3.379 0.884 60 HB2 ASN 6 HB2 ASN 6 9.027 -2.851 -1.415 61 HB3 ASN 6 HB3 ASN 6 10.421 -1.781 -1.300 62 HD21 ASN 6 HD21 ASN 6 9.324 -4.956 -1.844 63 HD22 ASN 6 HD22 ASN 6 10.868 -5.703 -2.054 64 H GLY 7 H GLY 7 11.463 -0.855 1.319 65 HA2 GLY 7 HA2 GLY 7 13.471 -2.835 2.156 66 HA3 GLY 7 HA3 GLY 7 13.798 -1.153 1.764 67 H ILE 8 H ILE 8 12.206 -3.243 4.140 68 HA ILE 8 HA ILE 8 11.727 -1.289 6.089 69 HB ILE 8 HB ILE 8 12.312 -4.221 6.518 70 HG12 ILE 8 HG12 ILE 8 9.548 -3.516 6.772 71 HG13 ILE 8 HG13 ILE 8 10.141 -2.931 5.221 72 HG21 ILE 8 HG21 ILE 8 12.521 -2.960 8.575 73 HG22 ILE 8 HG22 ILE 8 10.957 -2.196 8.292 74 HG23 ILE 8 HG23 ILE 8 11.047 -3.928 8.610 75 HD11 ILE 8 HD11 ILE 8 9.455 -5.028 4.652 76 HD12 ILE 8 HD12 ILE 8 11.141 -5.349 5.059 77 HD13 ILE 8 HD13 ILE 8 9.868 -5.711 6.224 78 H GLY 9 H GLY 9 14.596 -3.170 5.337 79 HA2 GLY 9 HA2 GLY 9 16.098 -1.483 7.223 80 HA3 GLY 9 HA3 GLY 9 16.302 -3.228 7.275 81 H TYR 10 H TYR 10 15.759 -1.780 4.199 82 HA TYR 10 HA TYR 10 18.321 -2.670 3.263 83 HB2 TYR 10 HB2 TYR 10 15.926 -1.384 2.007 84 HB3 TYR 10 HB3 TYR 10 17.449 -1.415 1.126 85 HD1 TYR 10 HD2 TYR 10 15.526 -3.860 3.211 86 HD2 TYR 10 HD1 TYR 10 17.544 -3.083 -0.453 87 HE1 TYR 10 HE2 TYR 10 15.042 -6.153 2.465 88 HE2 TYR 10 HE1 TYR 10 17.064 -5.373 -1.210 89 HH TYR 10 HH TYR 10 15.724 -7.770 0.922 90 H ALA 11 H ALA 11 16.742 0.531 3.181 91 HA ALA 11 HA ALA 11 19.051 1.971 2.505 92 HB1 ALA 11 HB1 ALA 11 16.976 3.309 4.148 93 HB2 ALA 11 HB2 ALA 11 17.756 3.835 2.656 94 HB3 ALA 11 HB3 ALA 11 16.478 2.621 2.602 95 H ILE 12 H ILE 12 17.555 1.365 5.672 96 HA ILE 12 HA ILE 12 19.364 2.859 7.207 97 HB ILE 12 HB ILE 12 17.968 0.351 8.133 98 HG12 ILE 12 HG12 ILE 12 16.474 2.607 8.891 99 HG13 ILE 12 HG13 ILE 12 16.848 2.842 7.187 100 HG21 ILE 12 HG21 ILE 12 18.893 2.826 9.585 101 HG22 ILE 12 HG22 ILE 12 17.979 1.505 10.310 102 HG23 ILE 12 HG23 ILE 12 19.605 1.216 9.692 103 HD11 ILE 12 HD11 ILE 12 14.756 1.722 7.350 104 HD12 ILE 12 HD12 ILE 12 15.945 0.565 6.753 105 HD13 ILE 12 HD13 ILE 12 15.428 0.508 8.437 106 H GLY 13 H GLY 13 19.347 -0.612 6.409 107 HA2 GLY 13 HA2 GLY 13 21.732 -1.231 7.799 108 HA3 GLY 13 HA3 GLY 13 21.001 -2.201 6.529 109 H TYR 14 H TYR 14 21.125 -0.038 4.560 110 HA TYR 14 HA TYR 14 23.542 -0.645 3.337 111 HB2 TYR 14 HB2 TYR 14 21.442 0.431 2.329 112 HB3 TYR 14 HB3 TYR 14 22.099 1.963 2.894 113 HD1 TYR 14 HD2 TYR 14 24.232 2.813 1.955 114 HD2 TYR 14 HD1 TYR 14 22.334 -0.665 0.404 115 HE1 TYR 14 HE2 TYR 14 25.596 2.984 -0.084 116 HE2 TYR 14 HE1 TYR 14 23.694 -0.504 -1.638 117 HH TYR 14 HH TYR 14 25.458 0.510 -2.601 118 H ALA 15 H ALA 15 22.671 2.311 5.125 119 HA ALA 15 HA ALA 15 25.262 3.457 4.967 120 HB1 ALA 15 HB1 ALA 15 22.846 4.026 6.650 121 HB2 ALA 15 HB2 ALA 15 24.361 4.897 6.887 122 HB3 ALA 15 HB3 ALA 15 23.530 4.980 5.334 123 H PHE 16 H PHE 16 23.573 1.646 7.511 124 HA PHE 16 HA PHE 16 25.447 1.816 9.532 125 HB2 PHE 16 HB2 PHE 16 23.237 0.031 8.848 126 HB3 PHE 16 HB3 PHE 16 24.510 -0.777 9.757 127 HD1 PHE 16 HD1 PHE 16 25.452 1.014 11.689 128 HD2 PHE 16 HD2 PHE 16 21.488 0.649 10.181 129 HE1 PHE 16 HE1 PHE 16 24.573 1.977 13.776 130 HE2 PHE 16 HE2 PHE 16 20.603 1.612 12.265 131 HZ PHE 16 HZ PHE 16 22.146 2.278 14.066 132 H GLY 17 H GLY 17 25.313 -0.488 6.838 133 HA2 GLY 17 HA2 GLY 17 27.453 -2.118 7.581 134 HA3 GLY 17 HA3 GLY 17 26.922 -1.847 5.928 135 H ALA 18 H ALA 18 27.442 1.007 5.976 136 HA ALA 18 HA ALA 18 30.213 0.922 5.258 137 HB1 ALA 18 HB1 ALA 18 29.350 2.462 3.888 138 HB2 ALA 18 HB2 ALA 18 27.987 2.784 4.961 139 HB3 ALA 18 HB3 ALA 18 29.537 3.578 5.241 140 H VAL 19 H VAL 19 28.343 2.414 7.872 141 HA VAL 19 HA VAL 19 30.328 3.909 9.089 142 HB VAL 19 HB VAL 19 28.065 2.393 10.394 143 HG11 VAL 19 HG11 VAL 19 29.971 4.444 11.484 144 HG12 VAL 19 HG12 VAL 19 28.386 4.151 12.204 145 HG13 VAL 19 HG13 VAL 19 29.578 2.853 12.135 146 HG21 VAL 19 HG21 VAL 19 26.778 4.332 10.178 147 HG22 VAL 19 HG22 VAL 19 28.184 5.339 9.833 148 HG23 VAL 19 HG23 VAL 19 27.602 4.193 8.625 149 H GLU 20 H GLU 20 29.844 0.464 9.079 150 HA GLU 20 HA GLU 20 31.569 -0.085 11.299 151 HB2 GLU 20 HB2 GLU 20 30.945 -2.091 9.161 152 HB3 GLU 20 HB3 GLU 20 31.161 -2.342 10.887 153 HG2 GLU 20 HG2 GLU 20 28.989 -0.744 10.896 154 HG3 GLU 20 HG3 GLU 20 28.762 -1.593 9.369 155 H ARG 21 H ARG 21 31.901 -0.272 7.769 156 HA ARG 21 HA ARG 21 34.516 -1.261 7.690 157 HB2 ARG 21 HB2 ARG 21 32.667 0.042 5.818 158 HB3 ARG 21 HB3 ARG 21 34.365 0.326 5.457 159 HG2 ARG 21 HG2 ARG 21 34.217 -1.597 4.328 160 HG3 ARG 21 HG3 ARG 21 34.369 -2.347 5.918 161 HD2 ARG 21 HD2 ARG 21 32.501 -3.402 5.061 162 HD3 ARG 21 HD3 ARG 21 31.788 -2.092 6.001 163 HE ARG 21 HE ARG 21 31.028 -1.145 4.053 164 HH11 ARG 21 HH11 ARG 21 33.361 -3.619 3.308 165 HH12 ARG 21 HH12 ARG 21 33.045 -3.587 1.605 166 HH21 ARG 21 HH21 ARG 21 30.603 -1.092 1.813 167 HH22 ARG 21 HH22 ARG 21 31.477 -2.148 0.755 168 H ALA 22 H ALA 22 33.290 1.946 8.268 169 HA ALA 22 HA ALA 22 35.584 3.454 7.716 170 HB1 ALA 22 HB1 ALA 22 34.281 4.638 9.920 171 HB2 ALA 22 HB2 ALA 22 34.144 5.065 8.214 172 HB3 ALA 22 HB3 ALA 22 33.034 3.891 8.921 173 H VAL 23 H VAL 23 34.501 1.967 10.762 174 HA VAL 23 HA VAL 23 36.911 2.740 12.142 175 HB VAL 23 HB VAL 23 34.969 0.693 13.164 176 HG11 VAL 23 HG11 VAL 23 36.639 2.821 14.499 177 HG12 VAL 23 HG12 VAL 23 35.558 1.700 15.328 178 HG13 VAL 23 HG13 VAL 23 36.975 1.090 14.473 179 HG21 VAL 23 HG21 VAL 23 33.747 2.688 14.176 180 HG22 VAL 23 HG22 VAL 23 34.564 3.664 12.955 181 HG23 VAL 23 HG23 VAL 23 33.475 2.367 12.463 182 H LEU 24 H LEU 24 35.726 -0.050 10.434 183 HA LEU 24 HA LEU 24 37.412 -2.025 11.470 184 HB2 LEU 24 HB2 LEU 24 35.456 -1.937 9.580 185 HB3 LEU 24 HB3 LEU 24 36.891 -2.178 8.585 186 HG LEU 24 HG LEU 24 36.909 -4.013 10.796 187 HD11 LEU 24 HD11 LEU 24 34.934 -5.185 10.567 188 HD12 LEU 24 HD12 LEU 24 34.568 -4.473 8.996 189 HD13 LEU 24 HD13 LEU 24 34.384 -3.513 10.464 190 HD21 LEU 24 HD21 LEU 24 37.643 -5.437 9.204 191 HD22 LEU 24 HD22 LEU 24 37.857 -3.948 8.283 192 HD23 LEU 24 HD23 LEU 24 36.418 -4.939 8.037 193 H GLY 25 H GLY 25 38.010 0.540 9.184 194 HA2 GLY 25 HA2 GLY 25 40.314 -0.408 7.928 195 HA3 GLY 25 HA3 GLY 25 39.945 1.288 8.205 196 H GLY 26 H GLY 26 40.219 1.846 10.699 197 HA2 GLY 26 HA2 GLY 26 41.561 1.595 12.649 198 HA3 GLY 26 HA3 GLY 26 42.637 0.547 11.738 199 H SER 27 H SER 27 41.403 3.771 10.921 200 HA SER 27 HA SER 27 43.732 5.195 11.602 201 HB2 SER 27 HB2 SER 27 44.140 5.563 8.923 202 HB3 SER 27 HB3 SER 27 45.093 4.482 9.939 203 HG SER 27 HG SER 27 43.894 3.731 7.860 204 H ARG 28 H ARG 28 42.080 6.581 12.336 205 HA ARG 28 HA ARG 28 40.288 7.783 10.396 206 HB2 ARG 28 HB2 ARG 28 39.218 8.830 12.238 207 HB3 ARG 28 HB3 ARG 28 39.614 7.199 12.762 208 HG2 ARG 28 HG2 ARG 28 41.741 8.270 13.748 209 HG3 ARG 28 HG3 ARG 28 40.866 9.792 13.567 210 HD2 ARG 28 HD2 ARG 28 39.485 7.508 14.882 211 HD3 ARG 28 HD3 ARG 28 40.730 8.367 15.788 212 HE ARG 28 HE ARG 28 38.103 9.289 15.207 213 HH11 ARG 28 HH11 ARG 28 41.391 10.346 15.638 214 HH12 ARG 28 HH12 ARG 28 40.949 11.943 16.144 215 HH21 ARG 28 HH21 ARG 28 37.507 11.387 15.873 216 HH22 ARG 28 HH22 ARG 28 38.739 12.534 16.279 217 H ASP 29 H ASP 29 43.414 8.198 10.912 218 HA ASP 29 HA ASP 29 43.603 10.692 9.676 219 HB2 ASP 29 HB2 ASP 29 43.184 10.838 12.529 220 HB3 ASP 29 HB3 ASP 29 44.761 11.500 12.107 221 H TYR 30 H TYR 30 45.254 8.849 12.243 222 HA TYR 30 HA TYR 30 47.386 8.071 10.542 223 HB2 TYR 30 HB2 TYR 30 47.679 10.652 11.395 224 HB3 TYR 30 HB3 TYR 30 48.550 9.769 12.644 225 HD1 TYR 30 HD2 TYR 30 48.235 9.433 8.928 226 HD2 TYR 30 HD1 TYR 30 50.822 9.794 12.286 227 HE1 TYR 30 HE2 TYR 30 50.183 9.260 7.438 228 HE2 TYR 30 HE1 TYR 30 52.778 9.624 10.805 229 HH TYR 30 HH TYR 30 52.412 9.003 7.343 230 H ASN 31 H ASN 31 45.611 6.784 12.312 231 HA ASN 31 HA ASN 31 47.336 5.067 13.680 232 HB2 ASN 31 HB2 ASN 31 46.868 7.449 15.116 233 HB3 ASN 31 HB3 ASN 31 45.906 6.203 15.906 234 HD21 ASN 31 HD21 ASN 31 49.079 7.338 15.170 235 HD22 ASN 31 HD22 ASN 31 49.941 6.225 16.172 236 H LYS 32 H LYS 32 44.185 6.477 14.579 237 HA LYS 32 HA LYS 32 42.668 4.332 13.512 238 HB2 LYS 32 HB2 LYS 32 41.997 3.184 15.494 239 HB3 LYS 32 HB3 LYS 32 43.755 3.215 15.486 240 HG2 LYS 32 HG2 LYS 32 43.152 5.482 16.884 241 HG3 LYS 32 HG3 LYS 32 41.862 4.382 17.376 242 HD2 LYS 32 HD2 LYS 32 44.701 3.441 17.345 243 HD3 LYS 32 HD3 LYS 32 44.110 4.416 18.693 244 HE2 LYS 32 HE2 LYS 32 43.167 2.618 19.590 245 HE3 LYS 32 HE3 LYS 32 42.186 2.398 18.142 246 HZ1 LYS 32 HZ1 LYS 32 44.542 1.421 17.341 247 HZ2 LYS 32 HZ2 LYS 32 43.304 0.477 18.002 248 HZ3 LYS 32 HZ3 LYS 32 44.578 1.004 18.980 Start of MODEL 6 1 H1 ARG 1 H ARG 1 10.520 7.287 1.779 2 HA ARG 1 HA ARG 1 7.879 6.962 3.025 3 HB2 ARG 1 HB2 ARG 1 8.494 7.829 0.283 4 HB3 ARG 1 HB3 ARG 1 7.333 6.512 0.383 5 HG2 ARG 1 HG2 ARG 1 6.413 8.239 2.292 6 HG3 ARG 1 HG3 ARG 1 7.035 9.333 1.055 7 HD2 ARG 1 HD2 ARG 1 5.027 9.038 0.096 8 HD3 ARG 1 HD3 ARG 1 5.708 7.510 -0.461 9 HE ARG 1 HE ARG 1 4.653 6.985 2.022 10 HH11 ARG 1 HH11 ARG 1 3.456 8.182 -1.020 11 HH12 ARG 1 HH12 ARG 1 1.864 7.539 -0.796 12 HH21 ARG 1 HH21 ARG 1 2.559 6.133 2.329 13 HH22 ARG 1 HH22 ARG 1 1.354 6.374 1.110 14 H ARG 2 H ARG 2 8.224 4.988 3.910 15 HA ARG 2 HA ARG 2 9.677 2.905 2.637 16 HB2 ARG 2 HB2 ARG 2 7.862 3.030 5.030 17 HB3 ARG 2 HB3 ARG 2 8.478 1.490 4.445 18 HG2 ARG 2 HG2 ARG 2 10.516 1.850 5.285 19 HG3 ARG 2 HG3 ARG 2 10.534 3.539 4.774 20 HD2 ARG 2 HD2 ARG 2 10.585 3.606 7.123 21 HD3 ARG 2 HD3 ARG 2 8.917 3.974 6.686 22 HE ARG 2 HE ARG 2 9.152 1.212 7.107 23 HH11 ARG 2 HH11 ARG 2 9.262 4.204 8.884 24 HH12 ARG 2 HH12 ARG 2 8.700 3.498 10.362 25 HH21 ARG 2 HH21 ARG 2 8.411 0.270 9.048 26 HH22 ARG 2 HH22 ARG 2 8.217 1.260 10.455 27 H SER 3 H SER 3 9.004 1.184 1.445 28 HA SER 3 HA SER 3 6.252 0.472 1.146 29 HB2 SER 3 HB2 SER 3 7.268 2.507 -0.583 30 HB3 SER 3 HB3 SER 3 6.999 1.051 -1.541 31 HG SER 3 HG SER 3 4.876 1.057 -0.300 32 H ARG 4 H ARG 4 8.931 -0.674 1.710 33 HA ARG 4 HA ARG 4 10.053 -2.615 1.330 34 HB2 ARG 4 HB2 ARG 4 7.449 -3.233 0.890 35 HB3 ARG 4 HB3 ARG 4 8.142 -3.643 -0.673 36 HG2 ARG 4 HG2 ARG 4 9.673 -4.653 1.602 37 HG3 ARG 4 HG3 ARG 4 8.034 -5.296 1.488 38 HD2 ARG 4 HD2 ARG 4 8.478 -5.900 -0.869 39 HD3 ARG 4 HD3 ARG 4 10.139 -5.342 -0.670 40 HE ARG 4 HE ARG 4 9.050 -7.834 0.199 41 HH11 ARG 4 HH11 ARG 4 11.445 -5.410 0.911 42 HH12 ARG 4 HH12 ARG 4 12.497 -6.507 1.743 43 HH21 ARG 4 HH21 ARG 4 10.426 -9.288 1.292 44 HH22 ARG 4 HH22 ARG 4 11.917 -8.713 1.958 45 H LYS 5 H LYS 5 10.640 -0.332 -0.275 46 HA LYS 5 HA LYS 5 11.968 -1.681 -2.487 47 HB2 LYS 5 HB2 LYS 5 11.277 0.288 -3.996 48 HB3 LYS 5 HB3 LYS 5 10.099 -0.985 -3.709 49 HG2 LYS 5 HG2 LYS 5 8.951 0.376 -2.089 50 HG3 LYS 5 HG3 LYS 5 10.188 1.629 -2.218 51 HD2 LYS 5 HD2 LYS 5 8.338 2.342 -3.530 52 HD3 LYS 5 HD3 LYS 5 9.592 1.816 -4.656 53 HE2 LYS 5 HE2 LYS 5 8.382 -0.459 -4.591 54 HE3 LYS 5 HE3 LYS 5 7.034 0.444 -3.901 55 HZ1 LYS 5 HZ1 LYS 5 8.204 0.628 -6.594 56 HZ2 LYS 5 HZ2 LYS 5 7.412 1.970 -5.937 57 HZ3 LYS 5 HZ3 LYS 5 6.578 0.512 -6.139 58 H ASN 6 H ASN 6 11.439 1.339 -0.716 59 HA ASN 6 HA ASN 6 13.710 2.719 -1.576 60 HB2 ASN 6 HB2 ASN 6 11.635 3.194 0.210 61 HB3 ASN 6 HB3 ASN 6 13.075 3.218 1.223 62 HD21 ASN 6 HD21 ASN 6 14.739 4.715 0.733 63 HD22 ASN 6 HD22 ASN 6 14.391 6.164 -0.142 64 H GLY 7 H GLY 7 13.344 0.136 0.723 65 HA2 GLY 7 HA2 GLY 7 15.070 -1.256 1.478 66 HA3 GLY 7 HA3 GLY 7 16.240 -0.061 0.937 67 H ILE 8 H ILE 8 14.898 -1.480 3.601 68 HA ILE 8 HA ILE 8 14.760 0.728 5.391 69 HB ILE 8 HB ILE 8 15.183 -2.184 6.068 70 HG12 ILE 8 HG12 ILE 8 13.178 -1.838 4.675 71 HG13 ILE 8 HG13 ILE 8 12.755 -2.311 6.317 72 HG21 ILE 8 HG21 ILE 8 15.680 -0.815 7.954 73 HG22 ILE 8 HG22 ILE 8 14.243 0.171 7.689 74 HG23 ILE 8 HG23 ILE 8 14.077 -1.506 8.209 75 HD11 ILE 8 HD11 ILE 8 12.263 0.023 6.851 76 HD12 ILE 8 HD12 ILE 8 12.663 0.479 5.195 77 HD13 ILE 8 HD13 ILE 8 11.282 -0.571 5.512 78 H GLY 9 H GLY 9 17.300 -1.497 4.421 79 HA2 GLY 9 HA2 GLY 9 19.234 0.215 5.814 80 HA3 GLY 9 HA3 GLY 9 19.257 -1.511 6.144 81 H TYR 10 H TYR 10 18.398 -0.544 2.960 82 HA TYR 10 HA TYR 10 20.609 -1.933 1.830 83 HB2 TYR 10 HB2 TYR 10 18.391 -0.256 0.681 84 HB3 TYR 10 HB3 TYR 10 19.687 -0.873 -0.337 85 HD1 TYR 10 HD1 TYR 10 17.140 -2.028 2.133 86 HD2 TYR 10 HD2 TYR 10 19.480 -2.979 -1.291 87 HE1 TYR 10 HE1 TYR 10 15.943 -4.165 1.917 88 HE2 TYR 10 HE2 TYR 10 18.288 -5.119 -1.518 89 HH TYR 10 HH TYR 10 15.452 -5.844 0.291 90 H ALA 11 H ALA 11 19.648 1.495 1.570 91 HA ALA 11 HA ALA 11 22.165 2.298 0.504 92 HB1 ALA 11 HB1 ALA 11 19.869 3.882 1.641 93 HB2 ALA 11 HB2 ALA 11 21.298 4.609 0.904 94 HB3 ALA 11 HB3 ALA 11 20.235 3.582 -0.059 95 H ILE 12 H ILE 12 20.643 2.653 3.699 96 HA ILE 12 HA ILE 12 22.735 4.053 4.931 97 HB ILE 12 HB ILE 12 20.905 2.102 6.323 98 HG12 ILE 12 HG12 ILE 12 19.886 4.709 6.573 99 HG13 ILE 12 HG13 ILE 12 20.263 4.513 4.865 100 HG21 ILE 12 HG21 ILE 12 22.705 2.934 7.706 101 HG22 ILE 12 HG22 ILE 12 22.321 4.595 7.254 102 HG23 ILE 12 HG23 ILE 12 21.179 3.656 8.217 103 HD11 ILE 12 HD11 ILE 12 18.215 3.190 6.522 104 HD12 ILE 12 HD12 ILE 12 18.167 3.689 4.831 105 HD13 ILE 12 HD13 ILE 12 18.999 2.203 5.289 106 H GLY 13 H GLY 13 22.043 0.560 4.859 107 HA2 GLY 13 HA2 GLY 13 24.269 -0.221 6.406 108 HA3 GLY 13 HA3 GLY 13 23.373 -1.257 5.305 109 H TYR 14 H TYR 14 23.945 0.559 3.024 110 HA TYR 14 HA TYR 14 26.156 -0.740 1.962 111 HB2 TYR 14 HB2 TYR 14 24.352 0.647 0.766 112 HB3 TYR 14 HB3 TYR 14 25.359 2.044 1.132 113 HD1 TYR 14 HD2 TYR 14 27.613 2.240 0.128 114 HD2 TYR 14 HD1 TYR 14 24.953 -0.899 -0.956 115 HE1 TYR 14 HE2 TYR 14 28.962 1.799 -1.881 116 HE2 TYR 14 HE1 TYR 14 26.294 -1.349 -2.968 117 HH TYR 14 HH TYR 14 29.134 0.628 -3.762 118 H ALA 15 H ALA 15 25.990 2.551 3.316 119 HA ALA 15 HA ALA 15 28.783 3.027 3.091 120 HB1 ALA 15 HB1 ALA 15 27.449 4.947 3.152 121 HB2 ALA 15 HB2 ALA 15 26.567 4.397 4.578 122 HB3 ALA 15 HB3 ALA 15 28.245 4.918 4.726 123 H PHE 16 H PHE 16 26.691 2.121 5.818 124 HA PHE 16 HA PHE 16 28.554 2.131 7.854 125 HB2 PHE 16 HB2 PHE 16 25.972 0.826 7.365 126 HB3 PHE 16 HB3 PHE 16 27.006 -0.047 8.491 127 HD1 PHE 16 HD1 PHE 16 28.301 1.824 10.107 128 HD2 PHE 16 HD2 PHE 16 24.398 2.093 8.431 129 HE1 PHE 16 HE1 PHE 16 27.636 3.362 11.909 130 HE2 PHE 16 HE2 PHE 16 23.727 3.631 10.230 131 HZ PHE 16 HZ PHE 16 25.347 4.268 11.972 132 H GLY 17 H GLY 17 27.643 -0.667 5.833 133 HA2 GLY 17 HA2 GLY 17 29.478 -2.488 6.854 134 HA3 GLY 17 HA3 GLY 17 28.832 -2.533 5.221 135 H ALA 18 H ALA 18 29.951 0.061 4.491 136 HA ALA 18 HA ALA 18 32.529 -0.854 3.645 137 HB1 ALA 18 HB1 ALA 18 32.642 1.109 2.338 138 HB2 ALA 18 HB2 ALA 18 30.951 0.605 2.310 139 HB3 ALA 18 HB3 ALA 18 31.456 1.940 3.347 140 H VAL 19 H VAL 19 31.358 1.614 5.902 141 HA VAL 19 HA VAL 19 33.753 2.831 6.566 142 HB VAL 19 HB VAL 19 31.391 2.253 8.358 143 HG11 VAL 19 HG11 VAL 19 33.766 4.061 8.755 144 HG12 VAL 19 HG12 VAL 19 32.273 4.188 9.687 145 HG13 VAL 19 HG13 VAL 19 33.248 2.720 9.775 146 HG21 VAL 19 HG21 VAL 19 31.654 3.937 6.137 147 HG22 VAL 19 HG22 VAL 19 30.347 3.921 7.321 148 HG23 VAL 19 HG23 VAL 19 31.730 4.991 7.548 149 H GLU 20 H GLU 20 32.478 -0.267 7.567 150 HA GLU 20 HA GLU 20 34.370 -0.671 9.680 151 HB2 GLU 20 HB2 GLU 20 32.943 -2.913 8.294 152 HB3 GLU 20 HB3 GLU 20 33.378 -2.757 9.990 153 HG2 GLU 20 HG2 GLU 20 31.684 -0.700 9.792 154 HG3 GLU 20 HG3 GLU 20 31.023 -1.741 8.533 155 H ARG 21 H ARG 21 34.066 -1.816 6.336 156 HA ARG 21 HA ARG 21 36.299 -3.494 6.294 157 HB2 ARG 21 HB2 ARG 21 34.624 -2.128 4.278 158 HB3 ARG 21 HB3 ARG 21 36.234 -2.589 3.741 159 HG2 ARG 21 HG2 ARG 21 35.790 -4.816 3.855 160 HG3 ARG 21 HG3 ARG 21 34.627 -4.629 5.169 161 HD2 ARG 21 HD2 ARG 21 32.930 -4.581 3.735 162 HD3 ARG 21 HD3 ARG 21 33.687 -3.281 2.814 163 HE ARG 21 HE ARG 21 35.000 -5.586 2.078 164 HH11 ARG 21 HH11 ARG 21 31.727 -4.402 1.996 165 HH12 ARG 21 HH12 ARG 21 31.296 -5.310 0.585 166 HH21 ARG 21 HH21 ARG 21 34.445 -6.786 0.220 167 HH22 ARG 21 HH22 ARG 21 32.842 -6.667 -0.424 168 H ALA 22 H ALA 22 36.031 -0.024 6.034 169 HA ALA 22 HA ALA 22 38.506 0.594 4.907 170 HB1 ALA 22 HB1 ALA 22 36.671 2.062 6.760 171 HB2 ALA 22 HB2 ALA 22 38.236 2.746 6.318 172 HB3 ALA 22 HB3 ALA 22 37.045 2.387 5.068 173 H VAL 23 H VAL 23 37.621 0.248 8.338 174 HA VAL 23 HA VAL 23 40.357 0.563 9.197 175 HB VAL 23 HB VAL 23 38.154 -0.491 10.943 176 HG11 VAL 23 HG11 VAL 23 40.683 -0.160 11.556 177 HG12 VAL 23 HG12 VAL 23 40.198 1.526 11.740 178 HG13 VAL 23 HG13 VAL 23 39.415 0.272 12.702 179 HG21 VAL 23 HG21 VAL 23 37.787 2.016 11.467 180 HG22 VAL 23 HG22 VAL 23 38.484 2.285 9.869 181 HG23 VAL 23 HG23 VAL 23 37.017 1.322 10.040 182 H LEU 24 H LEU 24 38.137 -2.070 8.582 183 HA LEU 24 HA LEU 24 39.354 -4.157 9.921 184 HB2 LEU 24 HB2 LEU 24 37.265 -3.940 8.224 185 HB3 LEU 24 HB3 LEU 24 38.429 -4.764 7.189 186 HG LEU 24 HG LEU 24 38.511 -6.218 9.537 187 HD11 LEU 24 HD11 LEU 24 36.257 -6.687 10.169 188 HD12 LEU 24 HD12 LEU 24 35.626 -5.623 8.913 189 HD13 LEU 24 HD13 LEU 24 36.502 -4.944 10.284 190 HD21 LEU 24 HD21 LEU 24 37.554 -6.527 6.797 191 HD22 LEU 24 HD22 LEU 24 36.743 -7.586 7.950 192 HD23 LEU 24 HD23 LEU 24 38.501 -7.626 7.800 193 H GLY 25 H GLY 25 40.188 -2.736 6.794 194 HA2 GLY 25 HA2 GLY 25 42.496 -4.552 6.613 195 HA3 GLY 25 HA3 GLY 25 41.830 -3.614 5.284 196 H GLY 26 H GLY 26 43.377 -3.165 8.464 197 HA2 GLY 26 HA2 GLY 26 45.614 -1.883 7.960 198 HA3 GLY 26 HA3 GLY 26 44.474 -0.616 7.531 199 H SER 27 H SER 27 44.075 0.803 9.079 200 HA SER 27 HA SER 27 43.355 0.169 11.706 201 HB2 SER 27 HB2 SER 27 46.164 0.075 11.288 202 HB3 SER 27 HB3 SER 27 45.822 1.520 12.239 203 HG SER 27 HG SER 27 45.389 -1.174 12.865 204 H ARG 28 H ARG 28 42.449 1.908 12.682 205 HA ARG 28 HA ARG 28 43.199 4.602 11.963 206 HB2 ARG 28 HB2 ARG 28 41.614 3.833 10.152 207 HB3 ARG 28 HB3 ARG 28 40.374 3.705 11.392 208 HG2 ARG 28 HG2 ARG 28 40.541 6.076 11.850 209 HG3 ARG 28 HG3 ARG 28 41.853 6.228 10.679 210 HD2 ARG 28 HD2 ARG 28 39.033 5.357 10.057 211 HD3 ARG 28 HD3 ARG 28 39.699 6.961 9.755 212 HE ARG 28 HE ARG 28 41.251 4.922 8.511 213 HH11 ARG 28 HH11 ARG 28 38.326 6.785 8.202 214 HH12 ARG 28 HH12 ARG 28 38.268 6.651 6.476 215 HH21 ARG 28 HH21 ARG 28 41.186 4.738 6.239 216 HH22 ARG 28 HH22 ARG 28 39.895 5.485 5.360 217 H ASP 29 H ASP 29 43.526 3.670 14.382 218 HA ASP 29 HA ASP 29 41.385 3.632 16.164 219 HB2 ASP 29 HB2 ASP 29 43.945 3.108 16.487 220 HB3 ASP 29 HB3 ASP 29 44.014 4.790 17.006 221 H TYR 30 H TYR 30 39.878 5.201 16.098 222 HA TYR 30 HA TYR 30 40.479 7.753 17.195 223 HB2 TYR 30 HB2 TYR 30 40.470 7.484 14.284 224 HB3 TYR 30 HB3 TYR 30 39.332 8.695 14.863 225 HD1 TYR 30 HD1 TYR 30 40.342 10.332 16.703 226 HD2 TYR 30 HD2 TYR 30 42.637 8.153 13.858 227 HE1 TYR 30 HE1 TYR 30 42.183 11.942 16.962 228 HE2 TYR 30 HE2 TYR 30 44.484 9.757 14.111 229 HH TYR 30 HH TYR 30 44.623 12.299 14.861 230 H ASN 31 H ASN 31 38.764 8.214 18.389 231 HA ASN 31 HA ASN 31 36.367 6.823 18.357 232 HB2 ASN 31 HB2 ASN 31 37.174 9.481 19.500 233 HB3 ASN 31 HB3 ASN 31 35.505 8.933 19.622 234 HD21 ASN 31 HD21 ASN 31 35.278 6.648 20.468 235 HD22 ASN 31 HD22 ASN 31 36.279 6.225 21.811 236 H LYS 32 H LYS 32 36.614 10.274 17.504 237 HA LYS 32 HA LYS 32 34.295 9.964 15.755 238 HB2 LYS 32 HB2 LYS 32 35.580 12.210 17.191 239 HB3 LYS 32 HB3 LYS 32 34.866 12.604 15.633 240 HG2 LYS 32 HG2 LYS 32 32.718 11.983 16.333 241 HG3 LYS 32 HG3 LYS 32 33.337 11.118 17.742 242 HD2 LYS 32 HD2 LYS 32 34.063 13.959 17.642 243 HD3 LYS 32 HD3 LYS 32 32.330 13.652 17.781 244 HE2 LYS 32 HE2 LYS 32 33.237 13.834 19.988 245 HE3 LYS 32 HE3 LYS 32 32.822 12.144 19.703 246 HZ1 LYS 32 HZ1 LYS 32 35.219 11.828 19.082 247 HZ2 LYS 32 HZ2 LYS 32 34.931 12.157 20.716 248 HZ3 LYS 32 HZ3 LYS 32 35.516 13.376 19.699 Start of MODEL 7 1 H1 ARG 1 H ARG 1 9.972 7.331 -4.247 2 HA ARG 1 HA ARG 1 9.590 5.058 -4.155 3 HB2 ARG 1 HB2 ARG 1 12.518 5.408 -4.750 4 HB3 ARG 1 HB3 ARG 1 11.775 3.814 -4.736 5 HG2 ARG 1 HG2 ARG 1 10.466 5.923 -6.356 6 HG3 ARG 1 HG3 ARG 1 11.991 5.255 -6.944 7 HD2 ARG 1 HD2 ARG 1 11.113 3.092 -7.105 8 HD3 ARG 1 HD3 ARG 1 9.741 3.476 -6.066 9 HE ARG 1 HE ARG 1 9.934 3.890 -8.896 10 HH11 ARG 1 HH11 ARG 1 8.424 4.988 -5.958 11 HH12 ARG 1 HH12 ARG 1 7.038 5.648 -6.763 12 HH21 ARG 1 HH21 ARG 1 8.115 4.754 -9.967 13 HH22 ARG 1 HH22 ARG 1 6.863 5.513 -9.043 14 H ARG 2 H ARG 2 9.947 3.020 -3.063 15 HA ARG 2 HA ARG 2 10.264 3.317 -0.279 16 HB2 ARG 2 HB2 ARG 2 10.341 0.762 -1.894 17 HB3 ARG 2 HB3 ARG 2 10.024 0.895 -0.170 18 HG2 ARG 2 HG2 ARG 2 8.005 2.270 -0.748 19 HG3 ARG 2 HG3 ARG 2 8.287 1.834 -2.435 20 HD2 ARG 2 HD2 ARG 2 7.666 -0.004 -0.132 21 HD3 ARG 2 HD3 ARG 2 6.675 0.313 -1.555 22 HE ARG 2 HE ARG 2 9.106 -0.695 -2.447 23 HH11 ARG 2 HH11 ARG 2 6.390 -1.751 -0.543 24 HH12 ARG 2 HH12 ARG 2 6.566 -3.419 -0.978 25 HH21 ARG 2 HH21 ARG 2 9.349 -2.888 -3.027 26 HH22 ARG 2 HH22 ARG 2 8.250 -4.065 -2.391 27 H SER 3 H SER 3 12.131 3.741 0.694 28 HA SER 3 HA SER 3 14.289 1.966 0.723 29 HB2 SER 3 HB2 SER 3 15.279 2.508 -1.241 30 HB3 SER 3 HB3 SER 3 14.392 4.026 -1.379 31 HG SER 3 HG SER 3 16.678 3.536 0.230 32 H ARG 4 H ARG 4 13.174 5.270 1.119 33 HA ARG 4 HA ARG 4 15.131 5.842 3.177 34 HB2 ARG 4 HB2 ARG 4 13.030 7.373 1.735 35 HB3 ARG 4 HB3 ARG 4 13.466 7.930 3.345 36 HG2 ARG 4 HG2 ARG 4 15.546 7.412 1.252 37 HG3 ARG 4 HG3 ARG 4 14.688 8.951 1.351 38 HD2 ARG 4 HD2 ARG 4 15.787 7.955 3.891 39 HD3 ARG 4 HD3 ARG 4 16.986 8.387 2.673 40 HE ARG 4 HE ARG 4 15.263 10.502 2.713 41 HH11 ARG 4 HH11 ARG 4 17.185 8.847 5.099 42 HH12 ARG 4 HH12 ARG 4 17.414 10.255 6.081 43 HH21 ARG 4 HH21 ARG 4 15.558 12.363 3.999 44 HH22 ARG 4 HH22 ARG 4 16.487 12.255 5.455 45 H LYS 5 H LYS 5 12.525 3.959 3.174 46 HA LYS 5 HA LYS 5 12.090 4.312 6.025 47 HB2 LYS 5 HB2 LYS 5 10.372 5.674 4.599 48 HB3 LYS 5 HB3 LYS 5 9.647 4.099 4.301 49 HG2 LYS 5 HG2 LYS 5 9.893 3.993 6.974 50 HG3 LYS 5 HG3 LYS 5 9.695 5.732 6.751 51 HD2 LYS 5 HD2 LYS 5 7.766 4.733 5.100 52 HD3 LYS 5 HD3 LYS 5 7.764 3.552 6.412 53 HE2 LYS 5 HE2 LYS 5 7.780 6.453 7.089 54 HE3 LYS 5 HE3 LYS 5 6.278 5.725 6.522 55 HZ1 LYS 5 HZ1 LYS 5 7.853 5.016 8.925 56 HZ2 LYS 5 HZ2 LYS 5 6.662 3.994 8.297 57 HZ3 LYS 5 HZ3 LYS 5 6.246 5.539 8.845 58 H ASN 6 H ASN 6 11.287 2.515 3.083 59 HA ASN 6 HA ASN 6 10.403 0.170 4.410 60 HB2 ASN 6 HB2 ASN 6 10.970 0.994 1.646 61 HB3 ASN 6 HB3 ASN 6 11.263 -0.714 1.960 62 HD21 ASN 6 HD21 ASN 6 9.599 -1.907 1.423 63 HD22 ASN 6 HD22 ASN 6 7.934 -1.490 1.617 64 H GLY 7 H GLY 7 13.530 1.409 3.568 65 HA2 GLY 7 HA2 GLY 7 14.932 -1.081 3.710 66 HA3 GLY 7 HA3 GLY 7 15.652 0.522 3.743 67 H ILE 8 H ILE 8 14.109 -1.960 5.706 68 HA ILE 8 HA ILE 8 14.435 -0.710 8.207 69 HB ILE 8 HB ILE 8 14.381 -3.671 7.612 70 HG12 ILE 8 HG12 ILE 8 11.925 -2.763 8.673 71 HG13 ILE 8 HG13 ILE 8 12.358 -1.637 7.391 72 HG21 ILE 8 HG21 ILE 8 13.278 -3.475 10.028 73 HG22 ILE 8 HG22 ILE 8 15.012 -3.681 9.792 74 HG23 ILE 8 HG23 ILE 8 14.351 -2.078 10.108 75 HD11 ILE 8 HD11 ILE 8 12.855 -3.999 6.179 76 HD12 ILE 8 HD12 ILE 8 11.519 -4.439 7.243 77 HD13 ILE 8 HD13 ILE 8 11.326 -3.126 6.081 78 H GLY 9 H GLY 9 16.616 -2.555 6.196 79 HA2 GLY 9 HA2 GLY 9 18.803 -1.859 8.007 80 HA3 GLY 9 HA3 GLY 9 18.564 -3.565 7.660 81 H TYR 10 H TYR 10 17.801 -1.346 5.150 82 HA TYR 10 HA TYR 10 19.816 -2.464 3.452 83 HB2 TYR 10 HB2 TYR 10 17.701 -0.359 3.099 84 HB3 TYR 10 HB3 TYR 10 18.917 -0.630 1.856 85 HD1 TYR 10 HD1 TYR 10 16.578 -2.653 3.966 86 HD2 TYR 10 HD2 TYR 10 18.334 -2.048 0.138 87 HE1 TYR 10 HE1 TYR 10 15.230 -4.501 3.062 88 HE2 TYR 10 HE2 TYR 10 16.990 -3.894 -0.776 89 HH TYR 10 HH TYR 10 15.354 -5.354 -0.378 90 H ALA 11 H ALA 11 19.162 0.885 4.499 91 HA ALA 11 HA ALA 11 21.667 1.866 3.581 92 HB1 ALA 11 HB1 ALA 11 19.850 3.396 3.730 93 HB2 ALA 11 HB2 ALA 11 19.607 3.035 5.440 94 HB3 ALA 11 HB3 ALA 11 21.054 3.897 4.918 95 H ILE 12 H ILE 12 20.406 1.250 6.859 96 HA ILE 12 HA ILE 12 22.675 1.897 8.304 97 HB ILE 12 HB ILE 12 20.690 -0.294 8.921 98 HG12 ILE 12 HG12 ILE 12 20.436 2.144 10.455 99 HG13 ILE 12 HG13 ILE 12 20.322 2.482 8.732 100 HG21 ILE 12 HG21 ILE 12 21.476 0.529 11.325 101 HG22 ILE 12 HG22 ILE 12 22.299 -0.764 10.454 102 HG23 ILE 12 HG23 ILE 12 22.957 0.872 10.430 103 HD11 ILE 12 HD11 ILE 12 18.152 2.038 9.879 104 HD12 ILE 12 HD12 ILE 12 18.481 1.004 8.488 105 HD13 ILE 12 HD13 ILE 12 18.692 0.377 10.123 106 H GLY 13 H GLY 13 21.747 -1.296 7.016 107 HA2 GLY 13 HA2 GLY 13 24.031 -2.672 7.911 108 HA3 GLY 13 HA3 GLY 13 22.994 -3.173 6.583 109 H TYR 14 H TYR 14 23.450 -0.775 5.012 110 HA TYR 14 HA TYR 14 25.596 -1.613 3.454 111 HB2 TYR 14 HB2 TYR 14 23.688 -0.007 2.850 112 HB3 TYR 14 HB3 TYR 14 24.679 1.255 3.573 113 HD1 TYR 14 HD1 TYR 14 26.867 1.840 2.560 114 HD2 TYR 14 HD2 TYR 14 24.197 -0.898 0.695 115 HE1 TYR 14 HE1 TYR 14 28.088 2.102 0.441 116 HE2 TYR 14 HE2 TYR 14 25.411 -0.644 -1.429 117 HH TYR 14 HH TYR 14 26.888 1.141 -2.502 118 H ALA 15 H ALA 15 25.470 1.101 5.759 119 HA ALA 15 HA ALA 15 28.219 1.755 5.508 120 HB1 ALA 15 HB1 ALA 15 26.097 2.463 7.505 121 HB2 ALA 15 HB2 ALA 15 27.769 2.983 7.713 122 HB3 ALA 15 HB3 ALA 15 26.860 3.486 6.288 123 H PHE 16 H PHE 16 26.406 -0.345 7.672 124 HA PHE 16 HA PHE 16 28.323 -0.813 9.625 125 HB2 PHE 16 HB2 PHE 16 25.870 -2.066 8.729 126 HB3 PHE 16 HB3 PHE 16 27.046 -3.273 9.236 127 HD1 PHE 16 HD2 PHE 16 28.178 -2.874 11.532 128 HD2 PHE 16 HD1 PHE 16 24.552 -1.014 10.304 129 HE1 PHE 16 HE2 PHE 16 27.606 -2.444 13.885 130 HE2 PHE 16 HE1 PHE 16 23.974 -0.580 12.656 131 HZ PHE 16 HZ PHE 16 25.501 -1.296 14.450 132 H GLY 17 H GLY 17 27.740 -2.678 6.641 133 HA2 GLY 17 HA2 GLY 17 29.784 -4.535 6.918 134 HA3 GLY 17 HA3 GLY 17 29.151 -3.975 5.377 135 H ALA 18 H ALA 18 29.940 -1.219 5.754 136 HA ALA 18 HA ALA 18 32.632 -1.430 4.798 137 HB1 ALA 18 HB1 ALA 18 31.366 1.178 5.521 138 HB2 ALA 18 HB2 ALA 18 32.452 0.789 4.186 139 HB3 ALA 18 HB3 ALA 18 30.769 0.261 4.137 140 H VAL 19 H VAL 19 31.103 -0.163 7.733 141 HA VAL 19 HA VAL 19 33.302 0.983 8.962 142 HB VAL 19 HB VAL 19 31.010 -0.507 10.245 143 HG11 VAL 19 HG11 VAL 19 33.131 1.262 11.443 144 HG12 VAL 19 HG12 VAL 19 31.608 0.891 12.253 145 HG13 VAL 19 HG13 VAL 19 32.741 -0.405 11.866 146 HG21 VAL 19 HG21 VAL 19 31.004 1.849 8.803 147 HG22 VAL 19 HG22 VAL 19 29.769 1.325 9.948 148 HG23 VAL 19 HG23 VAL 19 31.071 2.388 10.481 149 H GLU 20 H GLU 20 32.500 -2.377 8.547 150 HA GLU 20 HA GLU 20 34.327 -3.364 10.521 151 HB2 GLU 20 HB2 GLU 20 33.362 -5.001 8.203 152 HB3 GLU 20 HB3 GLU 20 33.681 -5.503 9.857 153 HG2 GLU 20 HG2 GLU 20 31.679 -3.775 10.293 154 HG3 GLU 20 HG3 GLU 20 31.262 -4.315 8.667 155 H ARG 21 H ARG 21 34.392 -2.994 6.998 156 HA ARG 21 HA ARG 21 36.841 -4.230 6.498 157 HB2 ARG 21 HB2 ARG 21 35.089 -2.327 5.093 158 HB3 ARG 21 HB3 ARG 21 36.782 -2.243 4.626 159 HG2 ARG 21 HG2 ARG 21 36.224 -4.956 4.660 160 HG3 ARG 21 HG3 ARG 21 34.778 -4.217 3.970 161 HD2 ARG 21 HD2 ARG 21 37.508 -3.432 3.019 162 HD3 ARG 21 HD3 ARG 21 36.721 -4.882 2.399 163 HE ARG 21 HE ARG 21 36.087 -2.169 1.752 164 HH11 ARG 21 HH11 ARG 21 34.786 -5.385 2.041 165 HH12 ARG 21 HH12 ARG 21 33.501 -5.107 0.912 166 HH21 ARG 21 HH21 ARG 21 34.400 -1.791 0.264 167 HH22 ARG 21 HH22 ARG 21 33.283 -3.063 -0.099 168 H ALA 22 H ALA 22 36.101 -1.064 7.760 169 HA ALA 22 HA ALA 22 38.573 0.194 7.325 170 HB1 ALA 22 HB1 ALA 22 37.702 1.329 9.640 171 HB2 ALA 22 HB2 ALA 22 37.169 1.795 8.024 172 HB3 ALA 22 HB3 ALA 22 36.205 0.670 8.981 173 H VAL 23 H VAL 23 37.387 -1.725 10.066 174 HA VAL 23 HA VAL 23 39.892 -1.501 11.481 175 HB VAL 23 HB VAL 23 37.747 -3.490 12.155 176 HG11 VAL 23 HG11 VAL 23 38.566 -3.346 14.336 177 HG12 VAL 23 HG12 VAL 23 40.020 -3.299 13.337 178 HG13 VAL 23 HG13 VAL 23 39.376 -1.810 14.031 179 HG21 VAL 23 HG21 VAL 23 37.639 -0.517 12.393 180 HG22 VAL 23 HG22 VAL 23 36.364 -1.657 11.964 181 HG23 VAL 23 HG23 VAL 23 36.893 -1.516 13.640 182 H LEU 24 H LEU 24 38.288 -3.837 9.419 183 HA LEU 24 HA LEU 24 39.846 -6.091 9.955 184 HB2 LEU 24 HB2 LEU 24 37.765 -5.522 8.301 185 HB3 LEU 24 HB3 LEU 24 39.083 -5.706 7.145 186 HG LEU 24 HG LEU 24 39.286 -7.915 8.844 187 HD11 LEU 24 HD11 LEU 24 36.836 -8.764 8.227 188 HD12 LEU 24 HD12 LEU 24 36.481 -7.055 8.470 189 HD13 LEU 24 HD13 LEU 24 37.219 -7.994 9.767 190 HD21 LEU 24 HD21 LEU 24 38.578 -9.152 6.825 191 HD22 LEU 24 HD22 LEU 24 39.799 -7.924 6.488 192 HD23 LEU 24 HD23 LEU 24 38.108 -7.622 6.084 193 H GLY 25 H GLY 25 40.509 -3.250 8.038 194 HA2 GLY 25 HA2 GLY 25 43.065 -4.448 7.176 195 HA3 GLY 25 HA3 GLY 25 42.257 -3.119 6.358 196 H GLY 26 H GLY 26 41.764 -1.266 8.148 197 HA2 GLY 26 HA2 GLY 26 43.181 -0.558 10.259 198 HA3 GLY 26 HA3 GLY 26 44.440 -0.491 9.035 199 H SER 27 H SER 27 43.184 1.620 10.722 200 HA SER 27 HA SER 27 43.111 3.669 8.776 201 HB2 SER 27 HB2 SER 27 40.589 4.220 9.633 202 HB3 SER 27 HB3 SER 27 40.955 3.390 8.121 203 HG SER 27 HG SER 27 40.637 1.975 10.544 204 H ARG 28 H ARG 28 42.274 5.789 9.823 205 HA ARG 28 HA ARG 28 42.469 5.860 12.710 206 HB2 ARG 28 HB2 ARG 28 44.839 5.969 11.480 207 HB3 ARG 28 HB3 ARG 28 44.394 7.664 11.337 208 HG2 ARG 28 HG2 ARG 28 44.003 7.662 13.820 209 HG3 ARG 28 HG3 ARG 28 44.739 6.058 13.852 210 HD2 ARG 28 HD2 ARG 28 46.326 7.992 12.371 211 HD3 ARG 28 HD3 ARG 28 46.064 8.473 14.047 212 HE ARG 28 HE ARG 28 47.755 6.387 13.121 213 HH11 ARG 28 HH11 ARG 28 45.632 7.281 15.731 214 HH12 ARG 28 HH12 ARG 28 46.439 6.289 16.901 215 HH21 ARG 28 HH21 ARG 28 48.826 5.077 14.652 216 HH22 ARG 28 HH22 ARG 28 48.256 5.037 16.286 217 H ASP 29 H ASP 29 40.277 6.486 11.327 218 HA ASP 29 HA ASP 29 39.672 9.093 12.113 219 HB2 ASP 29 HB2 ASP 29 40.956 8.925 9.531 220 HB3 ASP 29 HB3 ASP 29 39.316 9.547 9.362 221 H TYR 30 H TYR 30 37.484 9.681 11.676 222 HA TYR 30 HA TYR 30 35.794 7.985 10.101 223 HB2 TYR 30 HB2 TYR 30 34.369 7.381 12.169 224 HB3 TYR 30 HB3 TYR 30 35.827 6.444 11.863 225 HD1 TYR 30 HD2 TYR 30 37.837 6.789 13.257 226 HD2 TYR 30 HD1 TYR 30 34.167 8.765 14.113 227 HE1 TYR 30 HE2 TYR 30 38.651 7.309 15.519 228 HE2 TYR 30 HE1 TYR 30 34.972 9.291 16.377 229 HH TYR 30 HH TYR 30 37.035 9.511 17.593 230 H ASN 31 H ASN 31 34.328 9.307 9.277 231 HA ASN 31 HA ASN 31 32.605 10.934 10.753 232 HB2 ASN 31 HB2 ASN 31 35.078 12.123 10.627 233 HB3 ASN 31 HB3 ASN 31 34.249 12.851 9.254 234 HD21 ASN 31 HD21 ASN 31 34.667 12.865 12.600 235 HD22 ASN 31 HD22 ASN 31 33.425 13.997 13.000 236 H LYS 32 H LYS 32 30.854 10.961 9.524 237 HA LYS 32 HA LYS 32 31.060 10.550 6.666 238 HB2 LYS 32 HB2 LYS 32 28.909 10.419 8.703 239 HB3 LYS 32 HB3 LYS 32 28.414 10.840 7.068 240 HG2 LYS 32 HG2 LYS 32 29.168 8.799 6.195 241 HG3 LYS 32 HG3 LYS 32 30.114 8.436 7.641 242 HD2 LYS 32 HD2 LYS 32 28.185 7.970 8.910 243 HD3 LYS 32 HD3 LYS 32 27.122 8.719 7.718 244 HE2 LYS 32 HE2 LYS 32 28.783 6.284 7.115 245 HE3 LYS 32 HE3 LYS 32 27.154 6.182 7.782 246 HZ1 LYS 32 HZ1 LYS 32 26.278 6.565 5.795 247 HZ2 LYS 32 HZ2 LYS 32 27.821 6.369 5.133 248 HZ3 LYS 32 HZ3 LYS 32 27.259 7.916 5.524 Start of MODEL 8 1 H1 ARG 1 H ARG 1 5.327 7.362 -2.130 2 HA ARG 1 HA ARG 1 5.278 6.759 0.745 3 HB2 ARG 1 HB2 ARG 1 3.649 5.680 -1.557 4 HB3 ARG 1 HB3 ARG 1 3.595 5.005 0.066 5 HG2 ARG 1 HG2 ARG 1 2.474 6.803 0.928 6 HG3 ARG 1 HG3 ARG 1 3.110 7.918 -0.282 7 HD2 ARG 1 HD2 ARG 1 1.426 5.761 -1.347 8 HD3 ARG 1 HD3 ARG 1 0.592 6.896 -0.287 9 HE ARG 1 HE ARG 1 2.084 8.386 -2.103 10 HH11 ARG 1 HH11 ARG 1 -0.607 6.177 -2.119 11 HH12 ARG 1 HH12 ARG 1 -1.346 6.882 -3.519 12 HH21 ARG 1 HH21 ARG 1 1.121 9.323 -3.947 13 HH22 ARG 1 HH22 ARG 1 -0.361 8.671 -4.558 14 H ARG 2 H ARG 2 7.605 6.227 0.526 15 HA ARG 2 HA ARG 2 8.291 3.841 -0.950 16 HB2 ARG 2 HB2 ARG 2 10.532 4.187 -0.128 17 HB3 ARG 2 HB3 ARG 2 9.881 5.729 -0.666 18 HG2 ARG 2 HG2 ARG 2 9.303 6.194 1.741 19 HG3 ARG 2 HG3 ARG 2 10.254 4.766 2.155 20 HD2 ARG 2 HD2 ARG 2 11.640 6.714 2.386 21 HD3 ARG 2 HD3 ARG 2 12.194 5.784 0.994 22 HE ARG 2 HE ARG 2 11.651 7.551 -0.353 23 HH11 ARG 2 HH11 ARG 2 10.084 7.950 2.730 24 HH12 ARG 2 HH12 ARG 2 9.516 9.549 2.381 25 HH21 ARG 2 HH21 ARG 2 10.908 9.655 -0.824 26 HH22 ARG 2 HH22 ARG 2 9.984 10.518 0.359 27 H SER 3 H SER 3 8.752 1.832 -0.120 28 HA SER 3 HA SER 3 8.850 1.267 2.668 29 HB2 SER 3 HB2 SER 3 6.458 1.603 2.588 30 HB3 SER 3 HB3 SER 3 6.315 0.556 1.176 31 HG SER 3 HG SER 3 5.764 -0.532 3.113 32 H ARG 4 H ARG 4 7.428 -0.597 -0.005 33 HA ARG 4 HA ARG 4 9.301 -2.750 0.490 34 HB2 ARG 4 HB2 ARG 4 6.899 -2.421 -1.288 35 HB3 ARG 4 HB3 ARG 4 7.979 -3.797 -1.469 36 HG2 ARG 4 HG2 ARG 4 7.045 -3.274 1.271 37 HG3 ARG 4 HG3 ARG 4 5.807 -3.777 0.119 38 HD2 ARG 4 HD2 ARG 4 6.484 -5.844 0.728 39 HD3 ARG 4 HD3 ARG 4 7.734 -5.548 -0.481 40 HE ARG 4 HE ARG 4 8.477 -4.641 2.131 41 HH11 ARG 4 HH11 ARG 4 8.309 -7.418 0.038 42 HH12 ARG 4 HH12 ARG 4 9.580 -8.270 0.850 43 HH21 ARG 4 HH21 ARG 4 10.152 -5.753 3.209 44 HH22 ARG 4 HH22 ARG 4 10.627 -7.323 2.655 45 H LYS 5 H LYS 5 10.856 -0.768 -0.248 46 HA LYS 5 HA LYS 5 12.091 -1.697 -2.628 47 HB2 LYS 5 HB2 LYS 5 10.166 -0.288 -3.509 48 HB3 LYS 5 HB3 LYS 5 10.991 1.105 -2.822 49 HG2 LYS 5 HG2 LYS 5 11.827 1.222 -4.917 50 HG3 LYS 5 HG3 LYS 5 13.011 0.105 -4.234 51 HD2 LYS 5 HD2 LYS 5 12.346 -1.567 -5.563 52 HD3 LYS 5 HD3 LYS 5 10.639 -1.249 -5.241 53 HE2 LYS 5 HE2 LYS 5 12.298 0.434 -7.106 54 HE3 LYS 5 HE3 LYS 5 11.399 -0.985 -7.642 55 HZ1 LYS 5 HZ1 LYS 5 9.391 0.031 -7.258 56 HZ2 LYS 5 HZ2 LYS 5 10.319 1.346 -7.778 57 HZ3 LYS 5 HZ3 LYS 5 10.016 1.124 -6.129 58 H ASN 6 H ASN 6 11.749 0.917 -0.286 59 HA ASN 6 HA ASN 6 14.201 2.171 -0.583 60 HB2 ASN 6 HB2 ASN 6 12.554 3.146 0.853 61 HB3 ASN 6 HB3 ASN 6 12.519 1.718 1.884 62 HD21 ASN 6 HD21 ASN 6 14.086 1.430 3.419 63 HD22 ASN 6 HD22 ASN 6 15.236 2.650 3.834 64 H GLY 7 H GLY 7 13.411 -0.860 0.977 65 HA2 GLY 7 HA2 GLY 7 14.803 -2.593 1.596 66 HA3 GLY 7 HA3 GLY 7 16.157 -1.669 0.963 67 H ILE 8 H ILE 8 14.482 -2.680 3.755 68 HA ILE 8 HA ILE 8 15.295 -0.739 5.613 69 HB ILE 8 HB ILE 8 14.839 -3.683 6.115 70 HG12 ILE 8 HG12 ILE 8 12.912 -2.622 5.022 71 HG13 ILE 8 HG13 ILE 8 12.546 -3.029 6.695 72 HG21 ILE 8 HG21 ILE 8 15.595 -3.149 8.152 73 HG22 ILE 8 HG22 ILE 8 15.475 -1.418 7.844 74 HG23 ILE 8 HG23 ILE 8 14.050 -2.323 8.353 75 HD11 ILE 8 HD11 ILE 8 13.561 -0.390 6.654 76 HD12 ILE 8 HD12 ILE 8 12.338 -0.526 5.391 77 HD13 ILE 8 HD13 ILE 8 11.935 -0.941 7.057 78 H GLY 9 H GLY 9 16.629 -4.042 5.420 79 HA2 GLY 9 HA2 GLY 9 18.986 -3.410 6.823 80 HA3 GLY 9 HA3 GLY 9 18.741 -4.840 5.831 81 H TYR 10 H TYR 10 18.128 -2.919 3.527 82 HA TYR 10 HA TYR 10 20.671 -3.004 2.334 83 HB2 TYR 10 HB2 TYR 10 18.144 -1.521 1.622 84 HB3 TYR 10 HB3 TYR 10 19.596 -1.433 0.631 85 HD1 TYR 10 HD1 TYR 10 17.013 -3.735 1.947 86 HD2 TYR 10 HD2 TYR 10 20.165 -3.186 -0.859 87 HE1 TYR 10 HE1 TYR 10 16.345 -5.806 0.799 88 HE2 TYR 10 HE2 TYR 10 19.505 -5.254 -2.014 89 HH TYR 10 HH TYR 10 17.612 -6.697 -2.269 90 H ALA 11 H ALA 11 18.818 -0.238 3.601 91 HA ALA 11 HA ALA 11 20.915 1.639 3.183 92 HB1 ALA 11 HB1 ALA 11 18.541 1.862 5.028 93 HB2 ALA 11 HB2 ALA 11 19.542 3.187 4.432 94 HB3 ALA 11 HB3 ALA 11 18.535 2.270 3.312 95 H ILE 12 H ILE 12 19.584 0.230 6.181 96 HA ILE 12 HA ILE 12 21.412 1.284 7.967 97 HB ILE 12 HB ILE 12 20.108 -1.438 8.100 98 HG12 ILE 12 HG12 ILE 12 19.060 0.732 9.768 99 HG13 ILE 12 HG13 ILE 12 18.891 1.035 8.042 100 HG21 ILE 12 HG21 ILE 12 20.383 -0.983 10.611 101 HG22 ILE 12 HG22 ILE 12 21.803 -1.495 9.700 102 HG23 ILE 12 HG23 ILE 12 21.592 0.204 10.122 103 HD11 ILE 12 HD11 ILE 12 17.292 -0.583 9.711 104 HD12 ILE 12 HD12 ILE 12 17.129 -0.291 7.979 105 HD13 ILE 12 HD13 ILE 12 18.104 -1.642 8.558 106 H GLY 13 H GLY 13 21.614 -1.785 6.176 107 HA2 GLY 13 HA2 GLY 13 24.087 -2.611 7.253 108 HA3 GLY 13 HA3 GLY 13 23.392 -3.170 5.739 109 H TYR 14 H TYR 14 23.293 -0.438 4.633 110 HA TYR 14 HA TYR 14 25.687 -0.422 3.229 111 HB2 TYR 14 HB2 TYR 14 23.494 0.798 2.699 112 HB3 TYR 14 HB3 TYR 14 24.085 2.076 3.754 113 HD1 TYR 14 HD2 TYR 14 26.129 3.339 3.137 114 HD2 TYR 14 HD1 TYR 14 24.367 0.507 0.496 115 HE1 TYR 14 HE2 TYR 14 27.400 4.303 1.265 116 HE2 TYR 14 HE1 TYR 14 25.634 1.462 -1.383 117 HH TYR 14 HH TYR 14 27.442 4.415 -1.068 118 H ALA 15 H ALA 15 24.731 1.665 5.953 119 HA ALA 15 HA ALA 15 27.242 2.966 6.156 120 HB1 ALA 15 HB1 ALA 15 24.876 2.739 7.984 121 HB2 ALA 15 HB2 ALA 15 26.349 3.572 8.482 122 HB3 ALA 15 HB3 ALA 15 25.446 4.139 7.076 123 H PHE 16 H PHE 16 25.822 0.166 7.777 124 HA PHE 16 HA PHE 16 27.760 -0.229 9.741 125 HB2 PHE 16 HB2 PHE 16 25.650 -1.830 8.480 126 HB3 PHE 16 HB3 PHE 16 26.999 -2.786 9.084 127 HD1 PHE 16 HD2 PHE 16 27.828 -1.717 11.512 128 HD2 PHE 16 HD1 PHE 16 23.880 -1.775 9.921 129 HE1 PHE 16 HE2 PHE 16 26.911 -1.572 13.790 130 HE2 PHE 16 HE1 PHE 16 22.957 -1.628 12.197 131 HZ PHE 16 HZ PHE 16 24.473 -1.528 14.135 132 H GLY 17 H GLY 17 27.554 -1.705 6.500 133 HA2 GLY 17 HA2 GLY 17 29.899 -3.187 6.581 134 HA3 GLY 17 HA3 GLY 17 29.191 -2.526 5.115 135 H ALA 18 H ALA 18 29.465 0.241 5.939 136 HA ALA 18 HA ALA 18 32.152 0.663 5.045 137 HB1 ALA 18 HB1 ALA 18 31.047 2.425 4.235 138 HB2 ALA 18 HB2 ALA 18 29.753 2.271 5.423 139 HB3 ALA 18 HB3 ALA 18 31.237 3.127 5.842 140 H VAL 19 H VAL 19 30.415 1.156 8.093 141 HA VAL 19 HA VAL 19 32.370 2.464 9.552 142 HB VAL 19 HB VAL 19 30.380 0.407 10.518 143 HG11 VAL 19 HG11 VAL 19 31.816 0.471 12.303 144 HG12 VAL 19 HG12 VAL 19 32.340 2.121 11.964 145 HG13 VAL 19 HG13 VAL 19 30.762 1.828 12.696 146 HG21 VAL 19 HG21 VAL 19 30.027 3.004 9.518 147 HG22 VAL 19 HG22 VAL 19 28.838 1.999 10.347 148 HG23 VAL 19 HG23 VAL 19 29.837 3.124 11.267 149 H GLU 20 H GLU 20 32.165 -0.890 8.626 150 HA GLU 20 HA GLU 20 34.157 -1.818 10.464 151 HB2 GLU 20 HB2 GLU 20 33.466 -3.247 7.921 152 HB3 GLU 20 HB3 GLU 20 33.886 -3.918 9.491 153 HG2 GLU 20 HG2 GLU 20 31.617 -2.642 10.137 154 HG3 GLU 20 HG3 GLU 20 31.284 -3.016 8.447 155 H ARG 21 H ARG 21 34.121 -1.047 6.997 156 HA ARG 21 HA ARG 21 36.776 -1.700 6.432 157 HB2 ARG 21 HB2 ARG 21 34.647 -0.132 5.157 158 HB3 ARG 21 HB3 ARG 21 36.271 0.403 4.746 159 HG2 ARG 21 HG2 ARG 21 36.105 -1.147 3.137 160 HG3 ARG 21 HG3 ARG 21 36.538 -2.265 4.432 161 HD2 ARG 21 HD2 ARG 21 34.273 -2.869 4.789 162 HD3 ARG 21 HD3 ARG 21 33.692 -1.545 3.781 163 HE ARG 21 HE ARG 21 35.270 -3.133 2.158 164 HH11 ARG 21 HH11 ARG 21 32.349 -3.474 4.021 165 HH12 ARG 21 HH12 ARG 21 31.670 -4.680 2.979 166 HH21 ARG 21 HH21 ARG 21 34.388 -4.720 0.779 167 HH22 ARG 21 HH22 ARG 21 32.831 -5.389 1.135 168 H ALA 22 H ALA 22 35.364 1.184 7.837 169 HA ALA 22 HA ALA 22 37.495 2.958 7.578 170 HB1 ALA 22 HB1 ALA 22 36.417 4.299 9.115 171 HB2 ALA 22 HB2 ALA 22 35.092 3.302 8.512 172 HB3 ALA 22 HB3 ALA 22 35.840 2.929 10.065 173 H VAL 23 H VAL 23 36.793 0.667 10.209 174 HA VAL 23 HA VAL 23 39.257 1.282 11.572 175 HB VAL 23 HB VAL 23 37.560 -1.121 12.167 176 HG11 VAL 23 HG11 VAL 23 39.842 -0.170 13.303 177 HG12 VAL 23 HG12 VAL 23 38.605 0.573 14.319 178 HG13 VAL 23 HG13 VAL 23 38.653 -1.180 14.125 179 HG21 VAL 23 HG21 VAL 23 35.849 0.428 12.112 180 HG22 VAL 23 HG22 VAL 23 36.384 0.549 13.788 181 HG23 VAL 23 HG23 VAL 23 36.894 1.758 12.611 182 H LEU 24 H LEU 24 38.109 -1.108 9.311 183 HA LEU 24 HA LEU 24 39.929 -3.158 9.658 184 HB2 LEU 24 HB2 LEU 24 37.945 -2.655 7.904 185 HB3 LEU 24 HB3 LEU 24 39.347 -2.409 6.864 186 HG LEU 24 HG LEU 24 39.811 -4.832 8.192 187 HD11 LEU 24 HD11 LEU 24 37.713 -6.054 7.351 188 HD12 LEU 24 HD12 LEU 24 36.939 -4.472 7.420 189 HD13 LEU 24 HD13 LEU 24 37.617 -5.185 8.883 190 HD21 LEU 24 HD21 LEU 24 39.115 -3.955 5.431 191 HD22 LEU 24 HD22 LEU 24 39.151 -5.680 5.797 192 HD23 LEU 24 HD23 LEU 24 40.595 -4.696 6.042 193 H GLY 25 H GLY 25 40.353 -0.048 8.080 194 HA2 GLY 25 HA2 GLY 25 42.925 -0.706 6.973 195 HA3 GLY 25 HA3 GLY 25 42.188 0.889 7.027 196 H GLY 26 H GLY 26 41.832 1.318 9.694 197 HA2 GLY 26 HA2 GLY 26 42.927 1.626 11.732 198 HA3 GLY 26 HA3 GLY 26 44.309 0.746 11.095 199 H SER 27 H SER 27 43.698 3.529 12.400 200 HA SER 27 HA SER 27 45.903 4.870 11.263 201 HB2 SER 27 HB2 SER 27 44.759 5.581 9.396 202 HB3 SER 27 HB3 SER 27 43.198 5.567 10.216 203 HG SER 27 HG SER 27 44.358 7.682 9.691 204 H ARG 28 H ARG 28 46.447 6.780 12.386 205 HA ARG 28 HA ARG 28 45.321 6.909 15.038 206 HB2 ARG 28 HB2 ARG 28 47.091 8.625 15.417 207 HB3 ARG 28 HB3 ARG 28 47.710 7.085 14.837 208 HG2 ARG 28 HG2 ARG 28 47.250 8.554 12.529 209 HG3 ARG 28 HG3 ARG 28 47.922 9.718 13.674 210 HD2 ARG 28 HD2 ARG 28 49.726 8.708 12.454 211 HD3 ARG 28 HD3 ARG 28 49.775 8.129 14.118 212 HE ARG 28 HE ARG 28 48.295 6.347 12.494 213 HH11 ARG 28 HH11 ARG 28 51.551 7.372 13.177 214 HH12 ARG 28 HH12 ARG 28 52.262 5.857 12.729 215 HH21 ARG 28 HH21 ARG 28 49.219 4.347 11.901 216 HH22 ARG 28 HH22 ARG 28 50.934 4.137 12.002 217 H ASP 29 H ASP 29 43.204 7.560 13.833 218 HA ASP 29 HA ASP 29 42.559 10.171 14.575 219 HB2 ASP 29 HB2 ASP 29 43.922 10.133 12.131 220 HB3 ASP 29 HB3 ASP 29 42.224 10.321 11.701 221 H TYR 30 H TYR 30 40.346 10.780 13.952 222 HA TYR 30 HA TYR 30 38.131 10.232 13.933 223 HB2 TYR 30 HB2 TYR 30 38.937 8.422 11.651 224 HB3 TYR 30 HB3 TYR 30 37.355 9.142 11.928 225 HD1 TYR 30 HD2 TYR 30 37.281 11.750 11.953 226 HD2 TYR 30 HD1 TYR 30 40.438 9.477 10.230 227 HE1 TYR 30 HE2 TYR 30 37.917 13.687 10.577 228 HE2 TYR 30 HE1 TYR 30 41.084 11.409 8.850 229 HH TYR 30 HH TYR 30 39.198 14.404 8.887 230 H ASN 31 H ASN 31 38.869 9.036 16.013 231 HA ASN 31 HA ASN 31 39.130 6.287 16.177 232 HB2 ASN 31 HB2 ASN 31 38.639 6.483 18.472 233 HB3 ASN 31 HB3 ASN 31 39.317 8.049 18.037 234 HD21 ASN 31 HD21 ASN 31 37.969 9.847 17.923 235 HD22 ASN 31 HD22 ASN 31 36.400 9.860 18.647 236 H LYS 32 H LYS 32 36.279 8.216 15.642 237 HA LYS 32 HA LYS 32 34.111 7.690 15.194 238 HB2 LYS 32 HB2 LYS 32 35.739 5.612 13.987 239 HB3 LYS 32 HB3 LYS 32 34.148 5.006 14.430 240 HG2 LYS 32 HG2 LYS 32 33.263 7.112 13.228 241 HG3 LYS 32 HG3 LYS 32 34.871 7.173 12.501 242 HD2 LYS 32 HD2 LYS 32 34.027 5.789 10.954 243 HD3 LYS 32 HD3 LYS 32 34.180 4.538 12.189 244 HE2 LYS 32 HE2 LYS 32 31.731 6.235 11.717 245 HE3 LYS 32 HE3 LYS 32 31.945 4.580 11.149 246 HZ1 LYS 32 HZ1 LYS 32 32.452 4.263 13.730 247 HZ2 LYS 32 HZ2 LYS 32 30.899 4.123 13.076 248 HZ3 LYS 32 HZ3 LYS 32 31.374 5.563 13.825 Start of MODEL 9 1 H1 ARG 1 H ARG 1 6.509 8.606 -2.109 2 HA ARG 1 HA ARG 1 8.843 8.864 -2.468 3 HB2 ARG 1 HB2 ARG 1 8.756 9.248 0.497 4 HB3 ARG 1 HB3 ARG 1 10.258 8.725 -0.254 5 HG2 ARG 1 HG2 ARG 1 10.721 10.820 -0.781 6 HG3 ARG 1 HG3 ARG 1 9.257 10.899 -1.764 7 HD2 ARG 1 HD2 ARG 1 8.157 11.207 0.647 8 HD3 ARG 1 HD3 ARG 1 9.757 11.861 0.993 9 HE ARG 1 HE ARG 1 8.737 12.985 -1.390 10 HH11 ARG 1 HH11 ARG 1 8.335 13.084 2.066 11 HH12 ARG 1 HH12 ARG 1 7.755 14.717 2.083 12 HH21 ARG 1 HH21 ARG 1 7.975 15.135 -1.381 13 HH22 ARG 1 HH22 ARG 1 7.549 15.882 0.121 14 H ARG 2 H ARG 2 7.859 6.703 -3.143 15 HA ARG 2 HA ARG 2 8.263 4.427 -1.483 16 HB2 ARG 2 HB2 ARG 2 7.924 4.604 -4.483 17 HB3 ARG 2 HB3 ARG 2 7.822 3.128 -3.532 18 HG2 ARG 2 HG2 ARG 2 6.045 5.232 -2.581 19 HG3 ARG 2 HG3 ARG 2 5.718 4.728 -4.240 20 HD2 ARG 2 HD2 ARG 2 6.208 2.535 -2.349 21 HD3 ARG 2 HD3 ARG 2 4.757 3.483 -2.026 22 HE ARG 2 HE ARG 2 5.135 1.615 -4.134 23 HH11 ARG 2 HH11 ARG 2 3.579 4.627 -3.341 24 HH12 ARG 2 HH12 ARG 2 2.313 4.429 -4.507 25 HH21 ARG 2 HH21 ARG 2 3.473 1.344 -5.672 26 HH22 ARG 2 HH22 ARG 2 2.253 2.561 -5.832 27 H SER 3 H SER 3 10.394 4.473 -0.756 28 HA SER 3 HA SER 3 12.295 3.217 -2.479 29 HB2 SER 3 HB2 SER 3 12.283 5.980 -2.647 30 HB3 SER 3 HB3 SER 3 13.564 5.654 -1.480 31 HG SER 3 HG SER 3 14.754 4.876 -3.028 32 H ARG 4 H ARG 4 11.702 4.968 0.528 33 HA ARG 4 HA ARG 4 13.838 3.574 1.903 34 HB2 ARG 4 HB2 ARG 4 12.898 6.023 2.277 35 HB3 ARG 4 HB3 ARG 4 11.789 5.186 3.354 36 HG2 ARG 4 HG2 ARG 4 13.384 5.536 4.884 37 HG3 ARG 4 HG3 ARG 4 14.154 4.132 4.142 38 HD2 ARG 4 HD2 ARG 4 15.463 5.593 2.701 39 HD3 ARG 4 HD3 ARG 4 14.665 7.007 3.388 40 HE ARG 4 HE ARG 4 16.096 6.889 5.160 41 HH11 ARG 4 HH11 ARG 4 16.057 3.803 3.549 42 HH12 ARG 4 HH12 ARG 4 17.327 3.134 4.520 43 HH21 ARG 4 HH21 ARG 4 17.768 6.020 6.444 44 HH22 ARG 4 HH22 ARG 4 18.299 4.395 6.167 45 H LYS 5 H LYS 5 12.309 1.633 0.987 46 HA LYS 5 HA LYS 5 11.473 0.246 3.294 47 HB2 LYS 5 HB2 LYS 5 9.541 1.859 2.955 48 HB3 LYS 5 HB3 LYS 5 9.186 0.987 1.470 49 HG2 LYS 5 HG2 LYS 5 9.021 -1.100 2.876 50 HG3 LYS 5 HG3 LYS 5 9.076 -0.044 4.289 51 HD2 LYS 5 HD2 LYS 5 6.782 -0.465 3.826 52 HD3 LYS 5 HD3 LYS 5 7.113 1.191 3.311 53 HE2 LYS 5 HE2 LYS 5 7.661 -0.270 1.052 54 HE3 LYS 5 HE3 LYS 5 6.293 -1.136 1.749 55 HZ1 LYS 5 HZ1 LYS 5 6.142 1.784 1.572 56 HZ2 LYS 5 HZ2 LYS 5 4.907 0.633 1.467 57 HZ3 LYS 5 HZ3 LYS 5 5.939 0.888 0.151 58 H ASN 6 H ASN 6 11.134 0.571 -0.209 59 HA ASN 6 HA ASN 6 10.603 -2.134 -0.773 60 HB2 ASN 6 HB2 ASN 6 11.204 0.275 -2.268 61 HB3 ASN 6 HB3 ASN 6 12.016 -1.122 -2.968 62 HD21 ASN 6 HD21 ASN 6 8.859 -0.151 -1.682 63 HD22 ASN 6 HD22 ASN 6 7.926 -1.010 -2.855 64 H GLY 7 H GLY 7 13.557 -0.411 -0.106 65 HA2 GLY 7 HA2 GLY 7 15.212 -2.651 -0.976 66 HA3 GLY 7 HA3 GLY 7 15.787 -1.102 -0.376 67 H ILE 8 H ILE 8 14.636 -4.278 0.501 68 HA ILE 8 HA ILE 8 14.741 -3.887 3.321 69 HB ILE 8 HB ILE 8 14.878 -6.465 1.753 70 HG12 ILE 8 HG12 ILE 8 12.380 -6.203 2.979 71 HG13 ILE 8 HG13 ILE 8 12.716 -4.611 2.307 72 HG21 ILE 8 HG21 ILE 8 14.319 -5.929 4.665 73 HG22 ILE 8 HG22 ILE 8 14.068 -7.481 3.868 74 HG23 ILE 8 HG23 ILE 8 15.692 -6.803 3.987 75 HD11 ILE 8 HD11 ILE 8 13.300 -6.801 0.474 76 HD12 ILE 8 HD12 ILE 8 11.606 -6.699 0.957 77 HD13 ILE 8 HD13 ILE 8 12.397 -5.308 0.217 78 H GLY 9 H GLY 9 16.763 -6.103 1.395 79 HA2 GLY 9 HA2 GLY 9 18.830 -6.191 3.323 80 HA3 GLY 9 HA3 GLY 9 18.949 -6.755 1.663 81 H TYR 10 H TYR 10 18.116 -3.917 0.846 82 HA TYR 10 HA TYR 10 20.711 -2.962 0.308 83 HB2 TYR 10 HB2 TYR 10 17.976 -1.723 0.082 84 HB3 TYR 10 HB3 TYR 10 19.431 -0.822 -0.328 85 HD1 TYR 10 HD2 TYR 10 17.391 -3.775 -1.213 86 HD2 TYR 10 HD1 TYR 10 20.568 -1.196 -2.381 87 HE1 TYR 10 HE2 TYR 10 17.362 -4.768 -3.463 88 HE2 TYR 10 HE1 TYR 10 20.547 -2.181 -4.634 89 HH TYR 10 HH TYR 10 19.292 -3.455 -6.075 90 H ALA 11 H ALA 11 18.204 -1.687 2.499 91 HA ALA 11 HA ALA 11 19.858 0.306 3.638 92 HB1 ALA 11 HB1 ALA 11 17.276 0.075 3.647 93 HB2 ALA 11 HB2 ALA 11 17.539 -0.882 5.106 94 HB3 ALA 11 HB3 ALA 11 18.084 0.794 5.041 95 H ILE 12 H ILE 12 18.690 -2.766 5.035 96 HA ILE 12 HA ILE 12 20.175 -2.721 7.369 97 HB ILE 12 HB ILE 12 19.422 -5.151 5.741 98 HG12 ILE 12 HG12 ILE 12 17.889 -4.488 8.155 99 HG13 ILE 12 HG13 ILE 12 17.743 -3.294 6.870 100 HG21 ILE 12 HG21 ILE 12 21.030 -5.878 7.284 101 HG22 ILE 12 HG22 ILE 12 20.411 -4.825 8.555 102 HG23 ILE 12 HG23 ILE 12 19.482 -6.236 8.049 103 HD11 ILE 12 HD11 ILE 12 17.457 -5.766 5.614 104 HD12 ILE 12 HD12 ILE 12 16.526 -5.880 7.109 105 HD13 ILE 12 HD13 ILE 12 16.196 -4.582 5.961 106 H GLY 13 H GLY 13 21.063 -4.157 4.233 107 HA2 GLY 13 HA2 GLY 13 23.585 -5.123 5.021 108 HA3 GLY 13 HA3 GLY 13 23.100 -4.767 3.370 109 H TYR 14 H TYR 14 22.540 -1.944 4.013 110 HA TYR 14 HA TYR 14 24.980 -0.823 3.284 111 HB2 TYR 14 HB2 TYR 14 22.632 0.193 3.134 112 HB3 TYR 14 HB3 TYR 14 22.861 0.686 4.808 113 HD1 TYR 14 HD2 TYR 14 24.643 2.316 5.381 114 HD2 TYR 14 HD1 TYR 14 23.710 1.347 1.344 115 HE1 TYR 14 HE2 TYR 14 25.826 4.337 4.628 116 HE2 TYR 14 HE1 TYR 14 24.891 3.364 0.580 117 HH TYR 14 HH TYR 14 25.508 5.861 2.205 118 H ALA 15 H ALA 15 23.417 -0.829 6.486 119 HA ALA 15 HA ALA 15 25.577 0.426 7.822 120 HB1 ALA 15 HB1 ALA 15 23.191 -1.133 8.754 121 HB2 ALA 15 HB2 ALA 15 24.419 -0.564 9.887 122 HB3 ALA 15 HB3 ALA 15 23.519 0.594 8.907 123 H PHE 16 H PHE 16 24.692 -2.949 7.293 124 HA PHE 16 HA PHE 16 26.517 -4.157 9.021 125 HB2 PHE 16 HB2 PHE 16 24.806 -4.977 6.841 126 HB3 PHE 16 HB3 PHE 16 26.345 -5.827 6.771 127 HD1 PHE 16 HD1 PHE 16 27.150 -6.579 9.267 128 HD2 PHE 16 HD2 PHE 16 23.137 -6.079 7.941 129 HE1 PHE 16 HE1 PHE 16 26.381 -8.119 11.026 130 HE2 PHE 16 HE2 PHE 16 22.361 -7.616 9.698 131 HZ PHE 16 HZ PHE 16 23.983 -8.638 11.244 132 H GLY 17 H GLY 17 26.882 -3.557 5.520 133 HA2 GLY 17 HA2 GLY 17 29.501 -4.425 5.243 134 HA3 GLY 17 HA3 GLY 17 28.755 -3.186 4.245 135 H ALA 18 H ALA 18 28.306 -1.410 6.552 136 HA ALA 18 HA ALA 18 30.831 -0.062 6.470 137 HB1 ALA 18 HB1 ALA 18 28.261 0.528 7.921 138 HB2 ALA 18 HB2 ALA 18 29.684 1.568 7.998 139 HB3 ALA 18 HB3 ALA 18 28.877 1.290 6.455 140 H VAL 19 H VAL 19 28.991 -1.799 8.949 141 HA VAL 19 HA VAL 19 30.553 -1.268 11.170 142 HB VAL 19 HB VAL 19 29.111 -3.827 10.468 143 HG11 VAL 19 HG11 VAL 19 30.386 -2.908 13.031 144 HG12 VAL 19 HG12 VAL 19 29.122 -4.139 12.986 145 HG13 VAL 19 HG13 VAL 19 30.653 -4.414 12.154 146 HG21 VAL 19 HG21 VAL 19 27.740 -2.514 12.476 147 HG22 VAL 19 HG22 VAL 19 28.256 -1.212 11.402 148 HG23 VAL 19 HG23 VAL 19 27.302 -2.553 10.768 149 H GLU 20 H GLU 20 31.183 -3.378 8.470 150 HA GLU 20 HA GLU 20 33.315 -4.824 9.724 151 HB2 GLU 20 HB2 GLU 20 33.029 -4.554 6.752 152 HB3 GLU 20 HB3 GLU 20 33.577 -5.935 7.691 153 HG2 GLU 20 HG2 GLU 20 30.773 -4.953 7.292 154 HG3 GLU 20 HG3 GLU 20 31.462 -6.517 6.860 155 H ARG 21 H ARG 21 33.170 -2.220 7.303 156 HA ARG 21 HA ARG 21 35.933 -1.890 6.988 157 HB2 ARG 21 HB2 ARG 21 33.519 -0.260 6.419 158 HB3 ARG 21 HB3 ARG 21 35.055 0.595 6.475 159 HG2 ARG 21 HG2 ARG 21 35.393 -1.767 4.925 160 HG3 ARG 21 HG3 ARG 21 33.958 -0.912 4.355 161 HD2 ARG 21 HD2 ARG 21 35.256 1.134 4.114 162 HD3 ARG 21 HD3 ARG 21 36.688 0.314 4.736 163 HE ARG 21 HE ARG 21 37.025 -0.556 2.655 164 HH11 ARG 21 HH11 ARG 21 33.706 0.462 2.911 165 HH12 ARG 21 HH12 ARG 21 33.343 0.142 1.248 166 HH21 ARG 21 HH21 ARG 21 36.560 -0.981 0.463 167 HH22 ARG 21 HH22 ARG 21 34.967 -0.680 -0.144 168 H ALA 22 H ALA 22 33.716 -0.693 9.409 169 HA ALA 22 HA ALA 22 35.256 1.364 10.507 170 HB1 ALA 22 HB1 ALA 22 33.336 1.521 11.617 171 HB2 ALA 22 HB2 ALA 22 32.912 -0.153 11.256 172 HB3 ALA 22 HB3 ALA 22 33.918 0.220 12.656 173 H VAL 23 H VAL 23 35.150 -2.092 11.333 174 HA VAL 23 HA VAL 23 37.262 -1.820 13.280 175 HB VAL 23 HB VAL 23 36.317 -4.446 12.174 176 HG11 VAL 23 HG11 VAL 23 37.090 -5.355 14.136 177 HG12 VAL 23 HG12 VAL 23 38.228 -4.024 13.921 178 HG13 VAL 23 HG13 VAL 23 36.877 -3.858 15.042 179 HG21 VAL 23 HG21 VAL 23 34.771 -2.476 13.738 180 HG22 VAL 23 HG22 VAL 23 34.217 -3.749 12.651 181 HG23 VAL 23 HG23 VAL 23 34.702 -4.146 14.299 182 H LEU 24 H LEU 24 36.957 -2.729 9.928 183 HA LEU 24 HA LEU 24 39.298 -4.147 9.512 184 HB2 LEU 24 HB2 LEU 24 37.305 -3.237 7.928 185 HB3 LEU 24 HB3 LEU 24 38.619 -2.168 7.438 186 HG LEU 24 HG LEU 24 39.735 -4.719 7.397 187 HD11 LEU 24 HD11 LEU 24 38.096 -5.820 5.770 188 HD12 LEU 24 HD12 LEU 24 36.884 -4.744 6.466 189 HD13 LEU 24 HD13 LEU 24 37.727 -5.905 7.493 190 HD21 LEU 24 HD21 LEU 24 39.286 -4.301 4.822 191 HD22 LEU 24 HD22 LEU 24 40.448 -3.335 5.732 192 HD23 LEU 24 HD23 LEU 24 38.833 -2.702 5.412 193 H GLY 25 H GLY 25 38.813 -0.698 9.914 194 HA2 GLY 25 HA2 GLY 25 41.747 -0.371 9.888 195 HA3 GLY 25 HA3 GLY 25 40.698 0.793 9.092 196 H GLY 26 H GLY 26 39.874 -0.742 12.131 197 HA2 GLY 26 HA2 GLY 26 39.767 0.083 14.281 198 HA3 GLY 26 HA3 GLY 26 40.865 1.363 13.790 199 H SER 27 H SER 27 38.434 1.444 15.465 200 HA SER 27 HA SER 27 36.287 2.609 14.079 201 HB2 SER 27 HB2 SER 27 36.677 1.820 16.645 202 HB3 SER 27 HB3 SER 27 36.774 3.570 16.834 203 HG SER 27 HG SER 27 34.662 2.243 15.485 204 H ARG 28 H ARG 28 39.353 3.862 15.014 205 HA ARG 28 HA ARG 28 39.014 6.244 13.536 206 HB2 ARG 28 HB2 ARG 28 39.198 7.859 15.422 207 HB3 ARG 28 HB3 ARG 28 37.664 7.000 15.380 208 HG2 ARG 28 HG2 ARG 28 38.804 5.387 17.055 209 HG3 ARG 28 HG3 ARG 28 39.934 6.721 17.299 210 HD2 ARG 28 HD2 ARG 28 36.938 6.855 17.623 211 HD3 ARG 28 HD3 ARG 28 38.115 6.774 18.933 212 HE ARG 28 HE ARG 28 38.729 8.973 17.309 213 HH11 ARG 28 HH11 ARG 28 36.272 7.903 19.531 214 HH12 ARG 28 HH12 ARG 28 35.844 9.505 20.033 215 HH21 ARG 28 HH21 ARG 28 38.175 11.087 17.962 216 HH22 ARG 28 HH22 ARG 28 36.926 11.316 19.139 217 H ASP 29 H ASP 29 40.972 6.605 12.751 218 HA ASP 29 HA ASP 29 43.296 5.341 13.620 219 HB2 ASP 29 HB2 ASP 29 43.221 7.952 12.103 220 HB3 ASP 29 HB3 ASP 29 44.480 6.722 12.060 221 H TYR 30 H TYR 30 42.482 8.800 13.961 222 HA TYR 30 HA TYR 30 43.514 8.892 16.631 223 HB2 TYR 30 HB2 TYR 30 45.185 10.782 15.868 224 HB3 TYR 30 HB3 TYR 30 45.670 9.090 15.838 225 HD1 TYR 30 HD2 TYR 30 45.812 7.879 13.696 226 HD2 TYR 30 HD1 TYR 30 44.925 12.037 13.840 227 HE1 TYR 30 HE2 TYR 30 46.348 8.070 11.303 228 HE2 TYR 30 HE1 TYR 30 45.457 12.240 11.448 229 HH TYR 30 HH TYR 30 45.419 10.306 9.384 230 H ASN 31 H ASN 31 42.760 10.845 13.758 231 HA ASN 31 HA ASN 31 40.569 12.148 14.895 232 HB2 ASN 31 HB2 ASN 31 41.604 14.453 15.135 233 HB3 ASN 31 HB3 ASN 31 42.018 13.294 16.395 234 HD21 ASN 31 HD21 ASN 31 44.094 12.863 16.774 235 HD22 ASN 31 HD22 ASN 31 45.417 13.439 15.824 236 H LYS 32 H LYS 32 40.958 11.002 12.480 237 HA LYS 32 HA LYS 32 40.198 13.061 10.686 238 HB2 LYS 32 HB2 LYS 32 43.022 12.388 10.811 239 HB3 LYS 32 HB3 LYS 32 42.356 12.092 9.210 240 HG2 LYS 32 HG2 LYS 32 41.330 14.557 9.854 241 HG3 LYS 32 HG3 LYS 32 42.950 14.601 10.553 242 HD2 LYS 32 HD2 LYS 32 43.977 14.235 8.480 243 HD3 LYS 32 HD3 LYS 32 42.483 13.650 7.744 244 HE2 LYS 32 HE2 LYS 32 41.844 15.713 7.173 245 HE3 LYS 32 HE3 LYS 32 42.237 16.360 8.765 246 HZ1 LYS 32 HZ1 LYS 32 43.973 17.346 7.838 247 HZ2 LYS 32 HZ2 LYS 32 43.687 16.592 6.351 248 HZ3 LYS 32 HZ3 LYS 32 44.649 15.829 7.514 Start of MODEL 10 1 H1 ARG 1 H ARG 1 4.910 0.865 -3.544 2 HA ARG 1 HA ARG 1 6.654 -0.890 -4.104 3 HB2 ARG 1 HB2 ARG 1 7.203 0.895 -6.081 4 HB3 ARG 1 HB3 ARG 1 8.459 1.296 -4.917 5 HG2 ARG 1 HG2 ARG 1 9.471 -0.768 -5.094 6 HG3 ARG 1 HG3 ARG 1 8.004 -1.551 -5.686 7 HD2 ARG 1 HD2 ARG 1 9.030 -1.400 -7.684 8 HD3 ARG 1 HD3 ARG 1 8.427 0.256 -7.649 9 HE ARG 1 HE ARG 1 10.855 0.363 -6.390 10 HH11 ARG 1 HH11 ARG 1 9.717 -0.687 -9.508 11 HH12 ARG 1 HH12 ARG 1 11.195 -0.300 -10.323 12 HH21 ARG 1 HH21 ARG 1 12.807 0.877 -7.452 13 HH22 ARG 1 HH22 ARG 1 12.953 0.589 -9.152 14 H ARG 2 H ARG 2 7.007 -1.221 -1.995 15 HA ARG 2 HA ARG 2 7.509 0.773 -0.083 16 HB2 ARG 2 HB2 ARG 2 8.256 -1.140 1.363 17 HB3 ARG 2 HB3 ARG 2 6.663 -1.338 0.644 18 HG2 ARG 2 HG2 ARG 2 8.709 -2.451 -1.055 19 HG3 ARG 2 HG3 ARG 2 8.779 -3.137 0.569 20 HD2 ARG 2 HD2 ARG 2 6.081 -2.879 -0.573 21 HD3 ARG 2 HD3 ARG 2 7.140 -4.020 -1.400 22 HE ARG 2 HE ARG 2 5.974 -4.318 1.205 23 HH11 ARG 2 HH11 ARG 2 8.622 -5.241 -0.857 24 HH12 ARG 2 HH12 ARG 2 8.933 -6.723 -0.014 25 HH21 ARG 2 HH21 ARG 2 6.373 -6.265 2.323 26 HH22 ARG 2 HH22 ARG 2 7.652 -7.304 1.795 27 H SER 3 H SER 3 9.268 1.934 0.305 28 HA SER 3 HA SER 3 11.902 0.828 0.209 29 HB2 SER 3 HB2 SER 3 10.892 1.999 -2.192 30 HB3 SER 3 HB3 SER 3 12.143 3.060 -1.544 31 HG SER 3 HG SER 3 12.353 0.319 -2.220 32 H ARG 4 H ARG 4 10.044 2.331 1.968 33 HA ARG 4 HA ARG 4 11.984 4.213 2.985 34 HB2 ARG 4 HB2 ARG 4 9.349 5.093 1.843 35 HB3 ARG 4 HB3 ARG 4 10.108 5.997 3.147 36 HG2 ARG 4 HG2 ARG 4 11.067 7.135 1.475 37 HG3 ARG 4 HG3 ARG 4 12.179 5.766 1.424 38 HD2 ARG 4 HD2 ARG 4 11.590 5.739 -0.757 39 HD3 ARG 4 HD3 ARG 4 10.222 4.812 -0.142 40 HE ARG 4 HE ARG 4 9.477 7.468 -0.016 41 HH11 ARG 4 HH11 ARG 4 10.427 5.196 -2.477 42 HH12 ARG 4 HH12 ARG 4 9.483 5.948 -3.720 43 HH21 ARG 4 HH21 ARG 4 8.230 8.468 -1.644 44 HH22 ARG 4 HH22 ARG 4 8.234 7.810 -3.245 45 H LYS 5 H LYS 5 10.590 1.722 3.782 46 HA LYS 5 HA LYS 5 9.959 2.522 6.475 47 HB2 LYS 5 HB2 LYS 5 7.840 2.187 4.603 48 HB3 LYS 5 HB3 LYS 5 7.781 0.837 5.729 49 HG2 LYS 5 HG2 LYS 5 8.170 2.992 7.384 50 HG3 LYS 5 HG3 LYS 5 7.109 3.638 6.130 51 HD2 LYS 5 HD2 LYS 5 5.761 1.447 6.515 52 HD3 LYS 5 HD3 LYS 5 6.628 1.394 8.051 53 HE2 LYS 5 HE2 LYS 5 4.629 2.521 8.531 54 HE3 LYS 5 HE3 LYS 5 5.838 3.796 8.385 55 HZ1 LYS 5 HZ1 LYS 5 5.026 4.424 6.306 56 HZ2 LYS 5 HZ2 LYS 5 3.629 4.144 7.217 57 HZ3 LYS 5 HZ3 LYS 5 4.151 2.991 6.095 58 H ASN 6 H ASN 6 9.848 -0.112 4.097 59 HA ASN 6 HA ASN 6 10.022 -2.247 5.897 60 HB2 ASN 6 HB2 ASN 6 10.244 -1.858 3.033 61 HB3 ASN 6 HB3 ASN 6 11.405 -3.055 3.601 62 HD21 ASN 6 HD21 ASN 6 8.141 -2.378 2.911 63 HD22 ASN 6 HD22 ASN 6 7.485 -3.912 3.362 64 H GLY 7 H GLY 7 12.428 -0.034 4.734 65 HA2 GLY 7 HA2 GLY 7 14.402 -1.354 6.462 66 HA3 GLY 7 HA3 GLY 7 14.836 -1.014 4.794 67 H ILE 8 H ILE 8 13.747 0.524 7.795 68 HA ILE 8 HA ILE 8 14.097 3.180 7.109 69 HB ILE 8 HB ILE 8 14.741 1.976 9.802 70 HG12 ILE 8 HG12 ILE 8 12.148 3.182 9.668 71 HG13 ILE 8 HG13 ILE 8 12.288 2.004 8.367 72 HG21 ILE 8 HG21 ILE 8 15.475 4.165 9.917 73 HG22 ILE 8 HG22 ILE 8 14.216 4.753 8.832 74 HG23 ILE 8 HG23 ILE 8 13.812 4.300 10.488 75 HD11 ILE 8 HD11 ILE 8 12.797 0.261 9.921 76 HD12 ILE 8 HD12 ILE 8 12.887 1.414 11.253 77 HD13 ILE 8 HD13 ILE 8 11.342 1.095 10.466 78 H GLY 9 H GLY 9 16.499 0.868 8.319 79 HA2 GLY 9 HA2 GLY 9 18.596 2.701 7.355 80 HA3 GLY 9 HA3 GLY 9 18.719 1.982 8.954 81 H TYR 10 H TYR 10 17.321 0.082 6.442 82 HA TYR 10 HA TYR 10 19.380 -1.890 6.692 83 HB2 TYR 10 HB2 TYR 10 16.860 -1.662 5.078 84 HB3 TYR 10 HB3 TYR 10 18.013 -2.950 4.746 85 HD1 TYR 10 HD1 TYR 10 16.451 -1.407 7.780 86 HD2 TYR 10 HD2 TYR 10 17.499 -4.973 5.709 87 HE1 TYR 10 HE1 TYR 10 15.471 -2.743 9.598 88 HE2 TYR 10 HE2 TYR 10 16.521 -6.319 7.520 89 HH TYR 10 HH TYR 10 16.094 -5.758 10.204 90 H ALA 11 H ALA 11 18.158 -0.075 3.872 91 HA ALA 11 HA ALA 11 20.366 -0.786 2.224 92 HB1 ALA 11 HB1 ALA 11 19.220 0.203 0.559 93 HB2 ALA 11 HB2 ALA 11 17.895 0.182 1.724 94 HB3 ALA 11 HB3 ALA 11 18.862 1.641 1.515 95 H ILE 12 H ILE 12 19.454 2.253 3.846 96 HA ILE 12 HA ILE 12 21.609 3.808 3.066 97 HB ILE 12 HB ILE 12 20.176 3.883 5.723 98 HG12 ILE 12 HG12 ILE 12 19.438 5.988 3.940 99 HG13 ILE 12 HG13 ILE 12 19.287 4.460 3.080 100 HG21 ILE 12 HG21 ILE 12 21.865 5.293 6.214 101 HG22 ILE 12 HG22 ILE 12 22.275 5.560 4.520 102 HG23 ILE 12 HG23 ILE 12 20.923 6.428 5.247 103 HD11 ILE 12 HD11 ILE 12 17.719 3.634 4.615 104 HD12 ILE 12 HD12 ILE 12 18.089 4.893 5.794 105 HD13 ILE 12 HD13 ILE 12 17.241 5.302 4.303 106 H GLY 13 H GLY 13 21.312 1.812 6.006 107 HA2 GLY 13 HA2 GLY 13 23.900 2.331 6.987 108 HA3 GLY 13 HA3 GLY 13 22.905 0.947 7.414 109 H TYR 14 H TYR 14 22.720 -0.007 4.657 110 HA TYR 14 HA TYR 14 24.841 -1.800 4.630 111 HB2 TYR 14 HB2 TYR 14 22.619 -1.906 3.353 112 HB3 TYR 14 HB3 TYR 14 23.410 -0.920 2.128 113 HD1 TYR 14 HD1 TYR 14 25.351 -1.826 0.876 114 HD2 TYR 14 HD2 TYR 14 23.100 -4.234 3.567 115 HE1 TYR 14 HE1 TYR 14 26.311 -3.850 -0.140 116 HE2 TYR 14 HE2 TYR 14 24.055 -6.264 2.559 117 HH TYR 14 HH TYR 14 25.278 -7.081 0.872 118 H ALA 15 H ALA 15 24.409 1.121 2.637 119 HA ALA 15 HA ALA 15 26.946 0.942 1.385 120 HB1 ALA 15 HB1 ALA 15 25.360 2.199 0.223 121 HB2 ALA 15 HB2 ALA 15 24.922 3.138 1.651 122 HB3 ALA 15 HB3 ALA 15 26.476 3.407 0.861 123 H PHE 16 H PHE 16 25.769 2.617 4.257 124 HA PHE 16 HA PHE 16 28.025 4.208 4.749 125 HB2 PHE 16 HB2 PHE 16 25.651 3.347 6.233 126 HB3 PHE 16 HB3 PHE 16 27.053 3.625 7.261 127 HD1 PHE 16 HD1 PHE 16 28.362 5.871 6.687 128 HD2 PHE 16 HD2 PHE 16 24.261 5.121 5.828 129 HE1 PHE 16 HE1 PHE 16 27.938 8.293 6.613 130 HE2 PHE 16 HE2 PHE 16 23.830 7.542 5.752 131 HZ PHE 16 HZ PHE 16 25.670 9.132 6.144 132 H GLY 17 H GLY 17 27.196 0.950 5.905 133 HA2 GLY 17 HA2 GLY 17 29.412 0.542 7.555 134 HA3 GLY 17 HA3 GLY 17 28.506 -0.732 6.752 135 H ALA 18 H ALA 18 29.105 0.275 4.073 136 HA ALA 18 HA ALA 18 31.595 -1.090 3.701 137 HB1 ALA 18 HB1 ALA 18 29.959 0.450 1.689 138 HB2 ALA 18 HB2 ALA 18 31.239 -0.712 1.337 139 HB3 ALA 18 HB3 ALA 18 29.739 -1.254 2.090 140 H VAL 19 H VAL 19 30.511 2.273 3.431 141 HA VAL 19 HA VAL 19 32.795 3.430 2.379 142 HB VAL 19 HB VAL 19 30.887 4.579 4.420 143 HG11 VAL 19 HG11 VAL 19 31.781 6.756 3.232 144 HG12 VAL 19 HG12 VAL 19 32.627 6.055 4.613 145 HG13 VAL 19 HG13 VAL 19 33.209 5.753 2.975 146 HG21 VAL 19 HG21 VAL 19 30.701 5.651 1.758 147 HG22 VAL 19 HG22 VAL 19 30.518 3.898 1.729 148 HG23 VAL 19 HG23 VAL 19 29.458 4.878 2.742 149 H GLU 20 H GLU 20 32.152 2.335 5.639 150 HA GLU 20 HA GLU 20 34.427 3.622 6.811 151 HB2 GLU 20 HB2 GLU 20 33.095 1.218 8.007 152 HB3 GLU 20 HB3 GLU 20 33.800 2.611 8.815 153 HG2 GLU 20 HG2 GLU 20 31.825 3.822 7.462 154 HG3 GLU 20 HG3 GLU 20 31.103 2.231 7.695 155 H ARG 21 H ARG 21 33.694 0.331 5.713 156 HA ARG 21 HA ARG 21 36.070 -0.898 6.504 157 HB2 ARG 21 HB2 ARG 21 33.881 -1.487 4.645 158 HB3 ARG 21 HB3 ARG 21 35.417 -2.203 4.174 159 HG2 ARG 21 HG2 ARG 21 34.431 -2.503 6.976 160 HG3 ARG 21 HG3 ARG 21 33.786 -3.526 5.691 161 HD2 ARG 21 HD2 ARG 21 36.338 -3.872 5.145 162 HD3 ARG 21 HD3 ARG 21 36.535 -3.406 6.834 163 HE ARG 21 HE ARG 21 34.569 -5.366 6.746 164 HH11 ARG 21 HH11 ARG 21 37.961 -5.055 6.029 165 HH12 ARG 21 HH12 ARG 21 38.322 -6.712 6.386 166 HH21 ARG 21 HH21 ARG 21 35.031 -7.549 7.219 167 HH22 ARG 21 HH22 ARG 21 36.654 -8.129 7.062 168 H ALA 22 H ALA 22 35.371 1.179 3.798 169 HA ALA 22 HA ALA 22 37.532 0.563 2.130 170 HB1 ALA 22 HB1 ALA 22 35.653 1.949 1.418 171 HB2 ALA 22 HB2 ALA 22 36.173 3.228 2.515 172 HB3 ALA 22 HB3 ALA 22 37.190 2.771 1.148 173 H VAL 23 H VAL 23 37.261 3.019 4.693 174 HA VAL 23 HA VAL 23 40.043 3.745 4.453 175 HB VAL 23 HB VAL 23 38.290 4.529 6.760 176 HG11 VAL 23 HG11 VAL 23 40.498 5.288 7.018 177 HG12 VAL 23 HG12 VAL 23 40.630 5.742 5.318 178 HG13 VAL 23 HG13 VAL 23 39.607 6.681 6.406 179 HG21 VAL 23 HG21 VAL 23 38.111 5.446 3.917 180 HG22 VAL 23 HG22 VAL 23 36.815 5.051 5.046 181 HG23 VAL 23 HG23 VAL 23 37.726 6.549 5.239 182 H LEU 24 H LEU 24 38.131 1.572 6.360 183 HA LEU 24 HA LEU 24 39.764 1.248 8.599 184 HB2 LEU 24 HB2 LEU 24 37.422 0.187 7.777 185 HB3 LEU 24 HB3 LEU 24 38.497 -1.186 7.521 186 HG LEU 24 HG LEU 24 38.964 -0.090 10.125 187 HD11 LEU 24 HD11 LEU 24 36.133 -1.013 9.784 188 HD12 LEU 24 HD12 LEU 24 36.563 0.694 9.696 189 HD13 LEU 24 HD13 LEU 24 36.884 -0.220 11.169 190 HD21 LEU 24 HD21 LEU 24 39.446 -2.385 9.324 191 HD22 LEU 24 HD22 LEU 24 37.712 -2.701 9.284 192 HD23 LEU 24 HD23 LEU 24 38.509 -2.350 10.818 193 H GLY 25 H GLY 25 39.986 -0.133 5.371 194 HA2 GLY 25 HA2 GLY 25 41.981 -2.062 5.970 195 HA3 GLY 25 HA3 GLY 25 41.589 -1.444 4.372 196 H GLY 26 H GLY 26 42.113 1.349 5.543 197 HA2 GLY 26 HA2 GLY 26 45.056 1.193 5.620 198 HA3 GLY 26 HA3 GLY 26 44.255 2.290 4.506 199 H SER 27 H SER 27 43.551 1.511 7.901 200 HA SER 27 HA SER 27 44.599 3.932 8.938 201 HB2 SER 27 HB2 SER 27 42.653 4.865 7.711 202 HB3 SER 27 HB3 SER 27 41.584 3.834 8.662 203 HG SER 27 HG SER 27 42.492 6.226 9.290 204 H ARG 28 H ARG 28 44.368 4.094 11.210 205 HA ARG 28 HA ARG 28 42.858 2.070 12.625 206 HB2 ARG 28 HB2 ARG 28 44.687 0.998 13.691 207 HB3 ARG 28 HB3 ARG 28 45.058 1.004 11.972 208 HG2 ARG 28 HG2 ARG 28 46.255 3.296 12.723 209 HG3 ARG 28 HG3 ARG 28 46.410 2.353 14.206 210 HD2 ARG 28 HD2 ARG 28 47.355 1.588 11.449 211 HD3 ARG 28 HD3 ARG 28 48.355 1.984 12.846 212 HE ARG 28 HE ARG 28 46.680 -0.188 13.475 213 HH11 ARG 28 HH11 ARG 28 49.455 0.606 11.528 214 HH12 ARG 28 HH12 ARG 28 50.109 -0.997 11.574 215 HH21 ARG 28 HH21 ARG 28 47.532 -2.303 13.543 216 HH22 ARG 28 HH22 ARG 28 49.015 -2.652 12.720 217 H ASP 29 H ASP 29 43.124 5.042 12.403 218 HA ASP 29 HA ASP 29 44.323 6.179 14.637 219 HB2 ASP 29 HB2 ASP 29 41.735 7.098 13.373 220 HB3 ASP 29 HB3 ASP 29 42.877 8.081 14.285 221 H TYR 30 H TYR 30 41.187 4.621 14.298 222 HA TYR 30 HA TYR 30 39.564 4.078 15.806 223 HB2 TYR 30 HB2 TYR 30 42.158 3.525 17.148 224 HB3 TYR 30 HB3 TYR 30 40.713 3.477 18.151 225 HD1 TYR 30 HD2 TYR 30 41.903 2.198 14.844 226 HD2 TYR 30 HD1 TYR 30 39.630 1.452 18.363 227 HE1 TYR 30 HE2 TYR 30 41.437 -0.084 14.053 228 HE2 TYR 30 HE1 TYR 30 39.159 -0.832 17.582 229 HH TYR 30 HH TYR 30 40.007 -2.475 16.079 230 H ASN 31 H ASN 31 38.974 6.438 15.648 231 HA ASN 31 HA ASN 31 39.670 8.367 17.505 232 HB2 ASN 31 HB2 ASN 31 37.801 8.136 15.446 233 HB3 ASN 31 HB3 ASN 31 36.837 8.484 16.878 234 HD21 ASN 31 HD21 ASN 31 37.412 10.120 14.518 235 HD22 ASN 31 HD22 ASN 31 38.108 11.583 15.119 236 H LYS 32 H LYS 32 36.753 6.314 17.650 237 HA LYS 32 HA LYS 32 37.078 5.957 20.498 238 HB2 LYS 32 HB2 LYS 32 35.016 6.973 21.176 239 HB3 LYS 32 HB3 LYS 32 35.934 8.173 20.276 240 HG2 LYS 32 HG2 LYS 32 34.567 7.782 18.311 241 HG3 LYS 32 HG3 LYS 32 33.675 6.520 19.163 242 HD2 LYS 32 HD2 LYS 32 33.275 8.468 20.902 243 HD3 LYS 32 HD3 LYS 32 33.571 9.479 19.486 244 HE2 LYS 32 HE2 LYS 32 31.788 7.313 18.836 245 HE3 LYS 32 HE3 LYS 32 31.178 8.223 20.217 246 HZ1 LYS 32 HZ1 LYS 32 30.567 8.982 17.852 247 HZ2 LYS 32 HZ2 LYS 32 32.127 9.635 17.811 248 HZ3 LYS 32 HZ3 LYS 32 31.024 10.152 18.985 Start of MODEL 11 1 H1 ARG 1 H ARG 1 1.929 2.770 1.382 2 HA ARG 1 HA ARG 1 2.341 1.187 -0.339 3 HB2 ARG 1 HB2 ARG 1 1.748 3.556 -2.111 4 HB3 ARG 1 HB3 ARG 1 2.425 2.053 -2.724 5 HG2 ARG 1 HG2 ARG 1 0.468 0.957 -2.584 6 HG3 ARG 1 HG3 ARG 1 0.001 1.766 -1.086 7 HD2 ARG 1 HD2 ARG 1 -1.481 2.834 -2.394 8 HD3 ARG 1 HD3 ARG 1 -0.096 3.828 -2.845 9 HE ARG 1 HE ARG 1 -0.150 1.612 -4.538 10 HH11 ARG 1 HH11 ARG 1 -2.060 4.437 -3.839 11 HH12 ARG 1 HH12 ARG 1 -2.700 4.562 -5.445 12 HH21 ARG 1 HH21 ARG 1 -0.985 1.766 -6.655 13 HH22 ARG 1 HH22 ARG 1 -2.088 3.042 -7.046 14 H ARG 2 H ARG 2 4.369 1.015 0.552 15 HA ARG 2 HA ARG 2 6.488 2.382 -0.896 16 HB2 ARG 2 HB2 ARG 2 5.738 3.060 1.820 17 HB3 ARG 2 HB3 ARG 2 7.393 2.468 1.748 18 HG2 ARG 2 HG2 ARG 2 8.130 4.253 0.561 19 HG3 ARG 2 HG3 ARG 2 6.590 4.475 -0.272 20 HD2 ARG 2 HD2 ARG 2 6.982 5.069 2.652 21 HD3 ARG 2 HD3 ARG 2 7.227 6.271 1.387 22 HE ARG 2 HE ARG 2 4.731 5.356 2.420 23 HH11 ARG 2 HH11 ARG 2 6.313 6.560 -0.438 24 HH12 ARG 2 HH12 ARG 2 4.861 7.209 -1.127 25 HH21 ARG 2 HH21 ARG 2 2.813 6.206 1.524 26 HH22 ARG 2 HH22 ARG 2 2.871 7.008 -0.009 27 H SER 3 H SER 3 8.058 0.993 -1.382 28 HA SER 3 HA SER 3 8.947 -1.049 0.410 29 HB2 SER 3 HB2 SER 3 6.804 -1.710 -1.358 30 HB3 SER 3 HB3 SER 3 8.249 -2.564 -1.900 31 HG SER 3 HG SER 3 8.476 -3.289 0.305 32 H ARG 4 H ARG 4 9.922 1.189 -1.276 33 HA ARG 4 HA ARG 4 12.307 -0.067 -2.212 34 HB2 ARG 4 HB2 ARG 4 10.581 -0.417 -4.084 35 HB3 ARG 4 HB3 ARG 4 10.709 1.316 -4.354 36 HG2 ARG 4 HG2 ARG 4 12.567 1.054 -5.529 37 HG3 ARG 4 HG3 ARG 4 13.323 0.138 -4.224 38 HD2 ARG 4 HD2 ARG 4 12.564 -1.902 -5.053 39 HD3 ARG 4 HD3 ARG 4 11.304 -1.144 -6.026 40 HE ARG 4 HE ARG 4 12.814 -0.945 -7.721 41 HH11 ARG 4 HH11 ARG 4 14.549 -1.355 -4.731 42 HH12 ARG 4 HH12 ARG 4 16.102 -1.450 -5.493 43 HH21 ARG 4 HH21 ARG 4 14.853 -1.069 -8.737 44 HH22 ARG 4 HH22 ARG 4 16.274 -1.286 -7.772 45 H LYS 5 H LYS 5 11.780 1.911 -0.323 46 HA LYS 5 HA LYS 5 13.549 3.969 -1.215 47 HB2 LYS 5 HB2 LYS 5 11.495 4.833 -2.206 48 HB3 LYS 5 HB3 LYS 5 10.669 4.705 -0.659 49 HG2 LYS 5 HG2 LYS 5 11.225 6.980 -0.950 50 HG3 LYS 5 HG3 LYS 5 12.345 6.338 0.255 51 HD2 LYS 5 HD2 LYS 5 13.619 5.906 -2.177 52 HD3 LYS 5 HD3 LYS 5 12.885 7.502 -2.344 53 HE2 LYS 5 HE2 LYS 5 14.355 6.851 0.164 54 HE3 LYS 5 HE3 LYS 5 15.282 7.201 -1.294 55 HZ1 LYS 5 HZ1 LYS 5 14.278 9.334 -1.456 56 HZ2 LYS 5 HZ2 LYS 5 14.827 9.163 0.135 57 HZ3 LYS 5 HZ3 LYS 5 13.180 8.994 -0.214 58 H ASN 6 H ASN 6 11.168 2.959 1.201 59 HA ASN 6 HA ASN 6 12.096 4.471 3.356 60 HB2 ASN 6 HB2 ASN 6 9.994 3.362 3.561 61 HB3 ASN 6 HB3 ASN 6 10.718 1.787 3.247 62 HD21 ASN 6 HD21 ASN 6 9.923 4.123 5.591 63 HD22 ASN 6 HD22 ASN 6 10.565 3.299 6.968 64 H GLY 7 H GLY 7 13.292 1.499 1.957 65 HA2 GLY 7 HA2 GLY 7 15.242 0.339 2.310 66 HA3 GLY 7 HA3 GLY 7 15.833 1.761 3.156 67 H ILE 8 H ILE 8 14.317 -1.350 3.475 68 HA ILE 8 HA ILE 8 13.680 -1.272 6.209 69 HB ILE 8 HB ILE 8 14.569 -3.715 4.678 70 HG12 ILE 8 HG12 ILE 8 11.803 -3.707 4.713 71 HG13 ILE 8 HG13 ILE 8 12.201 -2.025 4.386 72 HG21 ILE 8 HG21 ILE 8 14.334 -3.858 7.172 73 HG22 ILE 8 HG22 ILE 8 12.622 -3.496 6.962 74 HG23 ILE 8 HG23 ILE 8 13.306 -4.963 6.260 75 HD11 ILE 8 HD11 ILE 8 13.054 -2.484 2.342 76 HD12 ILE 8 HD12 ILE 8 13.628 -4.084 2.815 77 HD13 ILE 8 HD13 ILE 8 11.918 -3.827 2.467 78 H GLY 9 H GLY 9 16.569 -2.603 4.589 79 HA2 GLY 9 HA2 GLY 9 18.092 -2.018 7.038 80 HA3 GLY 9 HA3 GLY 9 18.171 -3.627 6.337 81 H TYR 10 H TYR 10 17.878 -0.970 4.170 82 HA TYR 10 HA TYR 10 20.410 -1.584 2.975 83 HB2 TYR 10 HB2 TYR 10 18.239 0.412 2.383 84 HB3 TYR 10 HB3 TYR 10 19.774 0.459 1.523 85 HD1 TYR 10 HD2 TYR 10 17.036 -1.925 2.400 86 HD2 TYR 10 HD1 TYR 10 20.001 -0.771 -0.425 87 HE1 TYR 10 HE2 TYR 10 16.208 -3.637 0.841 88 HE2 TYR 10 HE1 TYR 10 19.180 -2.480 -1.993 89 HH TYR 10 HH TYR 10 17.063 -4.948 -1.077 90 H ALA 11 H ALA 11 19.078 1.464 4.271 91 HA ALA 11 HA ALA 11 21.518 2.846 4.312 92 HB1 ALA 11 HB1 ALA 11 19.722 3.716 6.406 93 HB2 ALA 11 HB2 ALA 11 20.238 4.553 4.941 94 HB3 ALA 11 HB3 ALA 11 18.869 3.442 4.886 95 H ILE 12 H ILE 12 19.827 1.070 6.886 96 HA ILE 12 HA ILE 12 21.664 1.593 8.939 97 HB ILE 12 HB ILE 12 20.042 -0.935 8.671 98 HG12 ILE 12 HG12 ILE 12 18.683 0.898 10.311 99 HG13 ILE 12 HG13 ILE 12 19.158 1.809 8.882 100 HG21 ILE 12 HG21 ILE 12 21.661 -0.969 10.470 101 HG22 ILE 12 HG22 ILE 12 21.073 0.584 11.062 102 HG23 ILE 12 HG23 ILE 12 20.032 -0.838 11.132 103 HD11 ILE 12 HD11 ILE 12 17.924 0.439 7.459 104 HD12 ILE 12 HD12 ILE 12 17.791 -0.844 8.662 105 HD13 ILE 12 HD13 ILE 12 16.887 0.656 8.868 106 H GLY 13 H GLY 13 21.429 -1.180 6.716 107 HA2 GLY 13 HA2 GLY 13 23.693 -2.542 7.732 108 HA3 GLY 13 HA3 GLY 13 22.951 -2.809 6.162 109 H TYR 14 H TYR 14 23.334 -0.002 5.356 110 HA TYR 14 HA TYR 14 25.736 -0.237 3.984 111 HB2 TYR 14 HB2 TYR 14 23.779 1.378 3.574 112 HB3 TYR 14 HB3 TYR 14 24.560 2.428 4.752 113 HD1 TYR 14 HD2 TYR 14 26.788 3.392 4.263 114 HD2 TYR 14 HD1 TYR 14 24.641 1.144 1.357 115 HE1 TYR 14 HE2 TYR 14 28.237 4.303 2.496 116 HE2 TYR 14 HE1 TYR 14 26.084 2.048 -0.417 117 HH TYR 14 HH TYR 14 27.640 4.508 -0.449 118 H ALA 15 H ALA 15 25.057 1.688 6.904 119 HA ALA 15 HA ALA 15 27.755 2.507 7.266 120 HB1 ALA 15 HB1 ALA 15 26.906 3.079 9.610 121 HB2 ALA 15 HB2 ALA 15 26.152 3.902 8.244 122 HB3 ALA 15 HB3 ALA 15 25.326 2.555 9.027 123 H PHE 16 H PHE 16 25.767 -0.041 8.728 124 HA PHE 16 HA PHE 16 27.513 -0.968 10.654 125 HB2 PHE 16 HB2 PHE 16 25.195 -2.001 9.240 126 HB3 PHE 16 HB3 PHE 16 26.346 -3.279 9.617 127 HD1 PHE 16 HD1 PHE 16 27.381 -2.876 12.140 128 HD2 PHE 16 HD2 PHE 16 23.501 -1.803 10.757 129 HE1 PHE 16 HE1 PHE 16 26.540 -2.953 14.451 130 HE2 PHE 16 HE2 PHE 16 22.654 -1.878 13.066 131 HZ PHE 16 HZ PHE 16 24.174 -2.453 14.916 132 H GLY 17 H GLY 17 27.232 -2.151 7.298 133 HA2 GLY 17 HA2 GLY 17 29.314 -3.986 7.352 134 HA3 GLY 17 HA3 GLY 17 28.780 -3.130 5.913 135 H ALA 18 H ALA 18 29.442 -0.500 7.000 136 HA ALA 18 HA ALA 18 32.186 -0.427 6.183 137 HB1 ALA 18 HB1 ALA 18 31.889 2.054 6.895 138 HB2 ALA 18 HB2 ALA 18 31.021 1.443 5.486 139 HB3 ALA 18 HB3 ALA 18 30.183 1.624 7.027 140 H VAL 19 H VAL 19 30.465 0.057 9.243 141 HA VAL 19 HA VAL 19 32.559 0.903 10.842 142 HB VAL 19 HB VAL 19 30.247 -0.894 11.585 143 HG11 VAL 19 HG11 VAL 19 30.735 0.129 13.901 144 HG12 VAL 19 HG12 VAL 19 31.748 -1.202 13.338 145 HG13 VAL 19 HG13 VAL 19 32.340 0.458 13.250 146 HG21 VAL 19 HG21 VAL 19 29.956 1.691 12.642 147 HG22 VAL 19 HG22 VAL 19 30.448 1.900 10.961 148 HG23 VAL 19 HG23 VAL 19 29.018 0.943 11.348 149 H GLU 20 H GLU 20 31.819 -2.301 9.653 150 HA GLU 20 HA GLU 20 33.631 -3.667 11.402 151 HB2 GLU 20 HB2 GLU 20 32.721 -4.782 8.773 152 HB3 GLU 20 HB3 GLU 20 33.023 -5.621 10.288 153 HG2 GLU 20 HG2 GLU 20 30.999 -4.114 11.093 154 HG3 GLU 20 HG3 GLU 20 30.616 -4.160 9.373 155 H ARG 21 H ARG 21 33.707 -2.858 7.932 156 HA ARG 21 HA ARG 21 36.272 -3.812 7.397 157 HB2 ARG 21 HB2 ARG 21 34.361 -1.995 6.098 158 HB3 ARG 21 HB3 ARG 21 36.043 -1.688 5.688 159 HG2 ARG 21 HG2 ARG 21 35.729 -4.458 5.513 160 HG3 ARG 21 HG3 ARG 21 34.288 -3.763 4.767 161 HD2 ARG 21 HD2 ARG 21 35.829 -3.930 3.015 162 HD3 ARG 21 HD3 ARG 21 35.898 -2.237 3.501 163 HE ARG 21 HE ARG 21 38.077 -2.549 4.106 164 HH11 ARG 21 HH11 ARG 21 36.518 -5.654 3.883 165 HH12 ARG 21 HH12 ARG 21 37.981 -6.551 4.121 166 HH21 ARG 21 HH21 ARG 21 40.010 -3.719 4.421 167 HH22 ARG 21 HH22 ARG 21 39.966 -5.450 4.428 168 H ALA 22 H ALA 22 35.214 -0.859 8.910 169 HA ALA 22 HA ALA 22 37.509 0.708 8.613 170 HB1 ALA 22 HB1 ALA 22 36.095 2.103 9.607 171 HB2 ALA 22 HB2 ALA 22 35.101 0.770 10.197 172 HB3 ALA 22 HB3 ALA 22 36.491 1.317 11.135 173 H VAL 23 H VAL 23 36.613 -1.515 11.248 174 HA VAL 23 HA VAL 23 39.182 -1.213 12.527 175 HB VAL 23 HB VAL 23 37.210 -3.374 13.197 176 HG11 VAL 23 HG11 VAL 23 39.106 -3.611 14.504 177 HG12 VAL 23 HG12 VAL 23 39.364 -1.870 14.627 178 HG13 VAL 23 HG13 VAL 23 38.059 -2.635 15.534 179 HG21 VAL 23 HG21 VAL 23 35.794 -1.483 13.069 180 HG22 VAL 23 HG22 VAL 23 36.180 -1.688 14.778 181 HG23 VAL 23 HG23 VAL 23 36.994 -0.441 13.834 182 H LEU 24 H LEU 24 37.684 -3.399 10.280 183 HA LEU 24 HA LEU 24 39.255 -5.672 10.598 184 HB2 LEU 24 HB2 LEU 24 37.254 -4.923 8.921 185 HB3 LEU 24 HB3 LEU 24 38.631 -4.943 7.821 186 HG LEU 24 HG LEU 24 38.870 -7.346 9.134 187 HD11 LEU 24 HD11 LEU 24 36.057 -7.492 8.343 188 HD12 LEU 24 HD12 LEU 24 36.353 -6.555 9.807 189 HD13 LEU 24 HD13 LEU 24 36.896 -8.230 9.708 190 HD21 LEU 24 HD21 LEU 24 37.595 -6.592 6.518 191 HD22 LEU 24 HD22 LEU 24 37.878 -8.266 6.994 192 HD23 LEU 24 HD23 LEU 24 39.239 -7.158 6.811 193 H GLY 25 H GLY 25 39.981 -2.614 9.075 194 HA2 GLY 25 HA2 GLY 25 42.716 -3.602 8.573 195 HA3 GLY 25 HA3 GLY 25 41.875 -2.625 7.379 196 H GLY 26 H GLY 26 42.746 -2.531 10.838 197 HA2 GLY 26 HA2 GLY 26 44.076 -0.850 11.832 198 HA3 GLY 26 HA3 GLY 26 43.788 0.172 10.432 199 H SER 27 H SER 27 42.153 1.626 10.472 200 HA SER 27 HA SER 27 39.843 1.492 12.037 201 HB2 SER 27 HB2 SER 27 42.216 2.400 13.465 202 HB3 SER 27 HB3 SER 27 40.929 3.605 13.482 203 HG SER 27 HG SER 27 39.576 2.142 14.437 204 H ARG 28 H ARG 28 42.287 3.511 10.535 205 HA ARG 28 HA ARG 28 42.161 5.354 9.209 206 HB2 ARG 28 HB2 ARG 28 39.578 3.961 8.755 207 HB3 ARG 28 HB3 ARG 28 39.693 5.623 8.192 208 HG2 ARG 28 HG2 ARG 28 41.822 4.917 7.004 209 HG3 ARG 28 HG3 ARG 28 41.335 3.257 7.353 210 HD2 ARG 28 HD2 ARG 28 39.437 5.157 6.032 211 HD3 ARG 28 HD3 ARG 28 40.673 4.327 5.088 212 HE ARG 28 HE ARG 28 38.264 3.206 6.102 213 HH11 ARG 28 HH11 ARG 28 41.593 2.472 5.398 214 HH12 ARG 28 HH12 ARG 28 41.304 0.782 5.151 215 HH21 ARG 28 HH21 ARG 28 37.871 0.983 5.779 216 HH22 ARG 28 HH22 ARG 28 39.186 -0.064 5.367 217 H ASP 29 H ASP 29 42.479 6.847 10.874 218 HA ASP 29 HA ASP 29 40.557 8.850 11.150 219 HB2 ASP 29 HB2 ASP 29 39.944 6.699 12.798 220 HB3 ASP 29 HB3 ASP 29 40.761 7.832 13.872 221 H TYR 30 H TYR 30 41.566 10.674 11.736 222 HA TYR 30 HA TYR 30 43.700 10.734 13.642 223 HB2 TYR 30 HB2 TYR 30 45.324 11.737 11.901 224 HB3 TYR 30 HB3 TYR 30 45.142 9.987 11.957 225 HD1 TYR 30 HD2 TYR 30 43.862 8.819 10.197 226 HD2 TYR 30 HD1 TYR 30 44.632 12.998 9.986 227 HE1 TYR 30 HE2 TYR 30 43.285 8.799 7.806 228 HE2 TYR 30 HE1 TYR 30 44.056 12.990 7.595 229 HH TYR 30 HH TYR 30 44.117 10.902 5.695 230 H ASN 31 H ASN 31 41.659 12.115 14.129 231 HA ASN 31 HA ASN 31 42.398 14.806 14.088 232 HB2 ASN 31 HB2 ASN 31 40.396 15.586 12.626 233 HB3 ASN 31 HB3 ASN 31 41.878 15.066 11.827 234 HD21 ASN 31 HD21 ASN 31 41.665 13.661 10.247 235 HD22 ASN 31 HD22 ASN 31 40.313 12.616 9.991 236 H LYS 32 H LYS 32 41.814 13.995 16.273 237 HA LYS 32 HA LYS 32 39.049 13.578 16.902 238 HB2 LYS 32 HB2 LYS 32 41.585 13.803 18.466 239 HB3 LYS 32 HB3 LYS 32 40.053 13.980 19.311 240 HG2 LYS 32 HG2 LYS 32 39.360 11.776 18.411 241 HG3 LYS 32 HG3 LYS 32 40.972 11.599 17.715 242 HD2 LYS 32 HD2 LYS 32 41.978 11.670 19.903 243 HD3 LYS 32 HD3 LYS 32 40.418 12.025 20.650 244 HE2 LYS 32 HE2 LYS 32 40.962 9.517 19.076 245 HE3 LYS 32 HE3 LYS 32 41.207 9.632 20.818 246 HZ1 LYS 32 HZ1 LYS 32 38.660 10.619 20.237 247 HZ2 LYS 32 HZ2 LYS 32 39.066 9.223 21.100 248 HZ3 LYS 32 HZ3 LYS 32 38.824 9.143 19.428 Start of MODEL 12 1 H1 ARG 1 H ARG 1 2.213 -1.081 0.013 2 HA ARG 1 HA ARG 1 2.207 1.775 -0.670 3 HB2 ARG 1 HB2 ARG 1 2.355 2.351 1.719 4 HB3 ARG 1 HB3 ARG 1 0.846 1.536 1.333 5 HG2 ARG 1 HG2 ARG 1 1.881 -0.586 2.160 6 HG3 ARG 1 HG3 ARG 1 3.249 0.378 2.719 7 HD2 ARG 1 HD2 ARG 1 1.487 1.782 3.956 8 HD3 ARG 1 HD3 ARG 1 0.402 0.423 3.662 9 HE ARG 1 HE ARG 1 2.491 0.557 5.595 10 HH11 ARG 1 HH11 ARG 1 0.774 -1.610 3.480 11 HH12 ARG 1 HH12 ARG 1 1.075 -3.010 4.455 12 HH21 ARG 1 HH21 ARG 1 2.894 -1.278 6.888 13 HH22 ARG 1 HH22 ARG 1 2.280 -2.820 6.394 14 H ARG 2 H ARG 2 4.148 2.918 0.171 15 HA ARG 2 HA ARG 2 6.499 1.388 -0.439 16 HB2 ARG 2 HB2 ARG 2 5.959 4.259 0.241 17 HB3 ARG 2 HB3 ARG 2 7.609 3.650 0.228 18 HG2 ARG 2 HG2 ARG 2 7.649 3.398 -2.033 19 HG3 ARG 2 HG3 ARG 2 5.913 3.098 -2.141 20 HD2 ARG 2 HD2 ARG 2 6.771 5.786 -1.239 21 HD3 ARG 2 HD3 ARG 2 7.042 5.384 -2.934 22 HE ARG 2 HE ARG 2 4.519 5.880 -1.651 23 HH11 ARG 2 HH11 ARG 2 6.114 4.314 -4.320 24 HH12 ARG 2 HH12 ARG 2 4.703 4.298 -5.324 25 HH21 ARG 2 HH21 ARG 2 2.654 5.866 -2.964 26 HH22 ARG 2 HH22 ARG 2 2.735 5.182 -4.552 27 H SER 3 H SER 3 6.788 -0.133 1.169 28 HA SER 3 HA SER 3 8.123 0.772 3.528 29 HB2 SER 3 HB2 SER 3 5.304 0.360 3.705 30 HB3 SER 3 HB3 SER 3 6.105 -0.923 4.611 31 HG SER 3 HG SER 3 5.639 1.183 5.709 32 H ARG 4 H ARG 4 8.447 -1.013 1.180 33 HA ARG 4 HA ARG 4 9.881 -3.087 2.441 34 HB2 ARG 4 HB2 ARG 4 7.217 -3.677 2.388 35 HB3 ARG 4 HB3 ARG 4 7.756 -4.391 0.874 36 HG2 ARG 4 HG2 ARG 4 8.630 -6.124 1.938 37 HG3 ARG 4 HG3 ARG 4 9.580 -5.066 2.983 38 HD2 ARG 4 HD2 ARG 4 8.276 -6.137 4.536 39 HD3 ARG 4 HD3 ARG 4 7.282 -4.721 4.196 40 HE ARG 4 HE ARG 4 6.437 -6.638 2.426 41 HH11 ARG 4 HH11 ARG 4 6.695 -6.368 5.887 42 HH12 ARG 4 HH12 ARG 4 5.350 -7.414 6.200 43 HH21 ARG 4 HH21 ARG 4 4.664 -8.017 2.824 44 HH22 ARG 4 HH22 ARG 4 4.197 -8.352 4.457 45 H LYS 5 H LYS 5 10.220 -1.088 0.398 46 HA LYS 5 HA LYS 5 11.408 -2.767 -1.635 47 HB2 LYS 5 HB2 LYS 5 9.112 -2.421 -2.481 48 HB3 LYS 5 HB3 LYS 5 9.355 -0.681 -2.397 49 HG2 LYS 5 HG2 LYS 5 10.088 -0.753 -4.482 50 HG3 LYS 5 HG3 LYS 5 11.495 -1.648 -3.903 51 HD2 LYS 5 HD2 LYS 5 9.797 -3.679 -4.053 52 HD3 LYS 5 HD3 LYS 5 9.032 -2.630 -5.249 53 HE2 LYS 5 HE2 LYS 5 11.313 -2.416 -6.322 54 HE3 LYS 5 HE3 LYS 5 11.838 -3.720 -5.258 55 HZ1 LYS 5 HZ1 LYS 5 11.197 -4.627 -7.363 56 HZ2 LYS 5 HZ2 LYS 5 9.691 -3.859 -7.303 57 HZ3 LYS 5 HZ3 LYS 5 10.052 -5.100 -6.211 58 H ASN 6 H ASN 6 10.672 0.516 -0.536 59 HA ASN 6 HA ASN 6 12.676 1.861 -1.955 60 HB2 ASN 6 HB2 ASN 6 10.961 3.152 -0.916 61 HB3 ASN 6 HB3 ASN 6 11.320 2.476 0.671 62 HD21 ASN 6 HD21 ASN 6 12.171 4.818 -1.702 63 HD22 ASN 6 HD22 ASN 6 13.354 5.657 -0.763 64 H GLY 7 H GLY 7 12.817 -0.116 0.893 65 HA2 GLY 7 HA2 GLY 7 14.872 -1.130 1.571 66 HA3 GLY 7 HA3 GLY 7 15.730 0.273 0.951 67 H ILE 8 H ILE 8 13.928 -1.048 3.621 68 HA ILE 8 HA ILE 8 13.610 1.156 5.254 69 HB ILE 8 HB ILE 8 14.366 -1.634 6.130 70 HG12 ILE 8 HG12 ILE 8 11.646 -1.205 6.565 71 HG13 ILE 8 HG13 ILE 8 11.945 -0.507 4.977 72 HG21 ILE 8 HG21 ILE 8 14.659 -0.345 8.030 73 HG22 ILE 8 HG22 ILE 8 13.365 0.771 7.596 74 HG23 ILE 8 HG23 ILE 8 12.975 -0.849 8.173 75 HD11 ILE 8 HD11 ILE 8 13.202 -2.787 4.593 76 HD12 ILE 8 HD12 ILE 8 12.119 -3.326 5.878 77 HD13 ILE 8 HD13 ILE 8 11.456 -2.647 4.391 78 H GLY 9 H GLY 9 16.456 -0.950 4.940 79 HA2 GLY 9 HA2 GLY 9 18.113 1.249 5.931 80 HA3 GLY 9 HA3 GLY 9 18.182 -0.273 6.807 81 H TYR 10 H TYR 10 17.711 -0.262 3.367 82 HA TYR 10 HA TYR 10 20.101 -1.802 2.984 83 HB2 TYR 10 HB2 TYR 10 17.912 -0.818 1.178 84 HB3 TYR 10 HB3 TYR 10 19.374 -1.528 0.503 85 HD1 TYR 10 HD2 TYR 10 16.988 -2.328 3.276 86 HD2 TYR 10 HD1 TYR 10 19.183 -3.743 -0.083 87 HE1 TYR 10 HE2 TYR 10 16.045 -4.575 3.613 88 HE2 TYR 10 HE1 TYR 10 18.245 -5.993 0.244 89 HH TYR 10 HH TYR 10 17.251 -7.270 2.443 90 H ALA 11 H ALA 11 18.974 1.245 1.504 91 HA ALA 11 HA ALA 11 21.469 1.930 0.395 92 HB1 ALA 11 HB1 ALA 11 18.994 2.864 0.045 93 HB2 ALA 11 HB2 ALA 11 19.612 4.115 1.124 94 HB3 ALA 11 HB3 ALA 11 20.433 3.782 -0.401 95 H ILE 12 H ILE 12 19.881 2.949 3.404 96 HA ILE 12 HA ILE 12 21.845 4.760 4.253 97 HB ILE 12 HB ILE 12 20.149 3.066 6.082 98 HG12 ILE 12 HG12 ILE 12 18.933 5.571 5.705 99 HG13 ILE 12 HG13 ILE 12 19.346 5.001 4.091 100 HG21 ILE 12 HG21 ILE 12 21.862 4.341 7.215 101 HG22 ILE 12 HG22 ILE 12 21.360 5.810 6.380 102 HG23 ILE 12 HG23 ILE 12 20.280 5.046 7.546 103 HD11 ILE 12 HD11 ILE 12 18.049 3.044 4.358 104 HD12 ILE 12 HD12 ILE 12 17.843 3.335 6.085 105 HD13 ILE 12 HD13 ILE 12 17.060 4.394 4.913 106 H GLY 13 H GLY 13 21.424 1.306 5.009 107 HA2 GLY 13 HA2 GLY 13 23.716 1.118 6.669 108 HA3 GLY 13 HA3 GLY 13 22.868 -0.229 5.924 109 H TYR 14 H TYR 14 23.263 0.896 3.215 110 HA TYR 14 HA TYR 14 25.714 -0.405 2.624 111 HB2 TYR 14 HB2 TYR 14 23.696 -0.195 1.098 112 HB3 TYR 14 HB3 TYR 14 24.207 1.461 0.790 113 HD1 TYR 14 HD2 TYR 14 25.130 -2.087 0.369 114 HD2 TYR 14 HD1 TYR 14 26.026 1.938 -0.677 115 HE1 TYR 14 HE2 TYR 14 26.638 -2.889 -1.401 116 HE2 TYR 14 HE1 TYR 14 27.535 1.148 -2.451 117 HH TYR 14 HH TYR 14 28.244 -2.285 -2.865 118 H ALA 15 H ALA 15 24.734 3.015 2.441 119 HA ALA 15 HA ALA 15 27.240 4.029 1.687 120 HB1 ALA 15 HB1 ALA 15 24.844 5.252 3.009 121 HB2 ALA 15 HB2 ALA 15 26.311 6.190 2.725 122 HB3 ALA 15 HB3 ALA 15 25.442 5.476 1.365 123 H PHE 16 H PHE 16 25.746 3.706 4.898 124 HA PHE 16 HA PHE 16 27.715 4.892 6.433 125 HB2 PHE 16 HB2 PHE 16 25.577 2.923 6.897 126 HB3 PHE 16 HB3 PHE 16 26.904 2.845 8.052 127 HD1 PHE 16 HD1 PHE 16 27.703 5.458 8.629 128 HD2 PHE 16 HD2 PHE 16 23.783 4.077 7.712 129 HE1 PHE 16 HE1 PHE 16 26.749 7.365 9.855 130 HE2 PHE 16 HE2 PHE 16 22.822 5.983 8.936 131 HZ PHE 16 HZ PHE 16 24.305 7.631 10.009 132 H GLY 17 H GLY 17 27.454 1.456 5.519 133 HA2 GLY 17 HA2 GLY 17 29.747 0.523 6.779 134 HA3 GLY 17 HA3 GLY 17 29.057 -0.174 5.321 135 H ALA 18 H ALA 18 29.425 2.210 3.713 136 HA ALA 18 HA ALA 18 32.123 1.726 2.885 137 HB1 ALA 18 HB1 ALA 18 30.299 2.166 1.287 138 HB2 ALA 18 HB2 ALA 18 30.188 3.818 1.897 139 HB3 ALA 18 HB3 ALA 18 31.657 3.274 1.086 140 H VAL 19 H VAL 19 30.409 4.434 4.396 141 HA VAL 19 HA VAL 19 32.407 6.349 4.357 142 HB VAL 19 HB VAL 19 30.354 5.834 6.512 143 HG11 VAL 19 HG11 VAL 19 31.809 7.219 7.623 144 HG12 VAL 19 HG12 VAL 19 32.361 8.007 6.144 145 HG13 VAL 19 HG13 VAL 19 30.780 8.403 6.818 146 HG21 VAL 19 HG21 VAL 19 29.787 8.139 4.988 147 HG22 VAL 19 HG22 VAL 19 30.170 6.850 3.847 148 HG23 VAL 19 HG23 VAL 19 28.890 6.621 5.038 149 H GLU 20 H GLU 20 32.051 3.542 6.414 150 HA GLU 20 HA GLU 20 34.058 4.333 8.300 151 HB2 GLU 20 HB2 GLU 20 33.238 1.483 7.861 152 HB3 GLU 20 HB3 GLU 20 33.677 2.291 9.359 153 HG2 GLU 20 HG2 GLU 20 31.468 3.685 8.668 154 HG3 GLU 20 HG3 GLU 20 31.083 2.099 8.001 155 H ARG 21 H ARG 21 33.952 2.097 5.545 156 HA ARG 21 HA ARG 21 36.547 1.094 5.748 157 HB2 ARG 21 HB2 ARG 21 34.473 1.236 3.670 158 HB3 ARG 21 HB3 ARG 21 36.114 1.134 3.046 159 HG2 ARG 21 HG2 ARG 21 35.254 -0.757 5.180 160 HG3 ARG 21 HG3 ARG 21 34.727 -1.026 3.517 161 HD2 ARG 21 HD2 ARG 21 37.200 -0.756 2.898 162 HD3 ARG 21 HD3 ARG 21 37.518 -0.965 4.620 163 HE ARG 21 HE ARG 21 35.882 -3.064 3.833 164 HH11 ARG 21 HH11 ARG 21 39.074 -1.863 3.134 165 HH12 ARG 21 HH12 ARG 21 39.722 -3.426 2.763 166 HH21 ARG 21 HH21 ARG 21 36.724 -5.127 3.347 167 HH22 ARG 21 HH22 ARG 21 38.385 -5.282 2.883 168 H ALA 22 H ALA 22 35.359 4.113 4.453 169 HA ALA 22 HA ALA 22 37.616 4.877 2.963 170 HB1 ALA 22 HB1 ALA 22 35.488 6.500 4.340 171 HB2 ALA 22 HB2 ALA 22 36.745 7.211 3.327 172 HB3 ALA 22 HB3 ALA 22 35.593 6.070 2.633 173 H VAL 23 H VAL 23 36.744 5.479 6.353 174 HA VAL 23 HA VAL 23 39.210 6.884 6.877 175 HB VAL 23 HB VAL 23 37.374 5.847 9.014 176 HG11 VAL 23 HG11 VAL 23 38.968 8.398 8.792 177 HG12 VAL 23 HG12 VAL 23 38.098 7.812 10.211 178 HG13 VAL 23 HG13 VAL 23 39.512 6.939 9.620 179 HG21 VAL 23 HG21 VAL 23 35.777 6.819 7.626 180 HG22 VAL 23 HG22 VAL 23 36.212 8.131 8.722 181 HG23 VAL 23 HG23 VAL 23 36.876 8.090 7.089 182 H LEU 24 H LEU 24 38.023 3.635 7.121 183 HA LEU 24 HA LEU 24 39.776 2.596 9.039 184 HB2 LEU 24 HB2 LEU 24 37.750 1.599 7.530 185 HB3 LEU 24 HB3 LEU 24 39.146 0.835 6.772 186 HG LEU 24 HG LEU 24 39.361 0.542 9.605 187 HD11 LEU 24 HD11 LEU 24 36.769 0.853 9.162 188 HD12 LEU 24 HD12 LEU 24 37.384 -0.340 10.305 189 HD13 LEU 24 HD13 LEU 24 36.901 -0.839 8.684 190 HD21 LEU 24 HD21 LEU 24 40.243 -0.847 7.629 191 HD22 LEU 24 HD22 LEU 24 38.657 -1.618 7.649 192 HD23 LEU 24 HD23 LEU 24 39.696 -1.700 9.072 193 H GLY 25 H GLY 25 40.279 3.490 5.726 194 HA2 GLY 25 HA2 GLY 25 42.666 1.965 5.326 195 HA3 GLY 25 HA3 GLY 25 42.098 3.292 4.323 196 H GLY 26 H GLY 26 42.093 5.432 5.944 197 HA2 GLY 26 HA2 GLY 26 44.948 5.695 6.609 198 HA3 GLY 26 HA3 GLY 26 43.879 7.019 6.172 199 H SER 27 H SER 27 43.404 4.420 8.540 200 HA SER 27 HA SER 27 43.993 5.945 10.827 201 HB2 SER 27 HB2 SER 27 41.679 6.856 9.702 202 HB3 SER 27 HB3 SER 27 41.060 5.642 10.821 203 HG SER 27 HG SER 27 41.446 6.988 12.373 204 H ARG 28 H ARG 28 44.145 4.628 12.553 205 HA ARG 28 HA ARG 28 42.551 2.213 12.730 206 HB2 ARG 28 HB2 ARG 28 45.512 2.198 12.235 207 HB3 ARG 28 HB3 ARG 28 44.753 0.897 13.143 208 HG2 ARG 28 HG2 ARG 28 43.296 0.416 11.243 209 HG3 ARG 28 HG3 ARG 28 44.055 1.724 10.332 210 HD2 ARG 28 HD2 ARG 28 44.978 -0.452 9.708 211 HD3 ARG 28 HD3 ARG 28 46.201 0.578 10.451 212 HE ARG 28 HE ARG 28 44.982 -1.072 12.399 213 HH11 ARG 28 HH11 ARG 28 47.241 -1.167 9.752 214 HH12 ARG 28 HH12 ARG 28 48.126 -2.515 10.385 215 HH21 ARG 28 HH21 ARG 28 46.139 -2.847 13.243 216 HH22 ARG 28 HH22 ARG 28 47.498 -3.471 12.370 217 H ASP 29 H ASP 29 42.978 4.710 14.247 218 HA ASP 29 HA ASP 29 44.507 4.390 16.536 219 HB2 ASP 29 HB2 ASP 29 41.982 5.900 15.953 220 HB3 ASP 29 HB3 ASP 29 42.621 5.856 17.594 221 H TYR 30 H TYR 30 44.503 2.537 17.666 222 HA TYR 30 HA TYR 30 42.341 0.811 18.032 223 HB2 TYR 30 HB2 TYR 30 44.903 1.221 19.556 224 HB3 TYR 30 HB3 TYR 30 43.722 0.019 20.063 225 HD1 TYR 30 HD1 TYR 30 45.676 1.077 17.066 226 HD2 TYR 30 HD2 TYR 30 43.829 -2.123 19.176 227 HE1 TYR 30 HE1 TYR 30 46.626 -0.524 15.458 228 HE2 TYR 30 HE2 TYR 30 44.774 -3.732 17.574 229 HH TYR 30 HH TYR 30 47.053 -3.551 15.911 230 H ASN 31 H ASN 31 43.689 3.191 20.320 231 HA ASN 31 HA ASN 31 41.741 2.842 22.309 232 HB2 ASN 31 HB2 ASN 31 43.979 4.031 22.520 233 HB3 ASN 31 HB3 ASN 31 43.209 5.423 21.763 234 HD21 ASN 31 HD21 ASN 31 43.768 6.511 23.750 235 HD22 ASN 31 HD22 ASN 31 42.728 6.363 25.122 236 H LYS 32 H LYS 32 39.688 2.802 21.401 237 HA LYS 32 HA LYS 32 37.691 3.638 20.706 238 HB2 LYS 32 HB2 LYS 32 38.129 5.197 22.604 239 HB3 LYS 32 HB3 LYS 32 38.866 6.317 21.467 240 HG2 LYS 32 HG2 LYS 32 36.185 5.456 20.696 241 HG3 LYS 32 HG3 LYS 32 36.248 6.327 22.230 242 HD2 LYS 32 HD2 LYS 32 37.836 7.910 20.765 243 HD3 LYS 32 HD3 LYS 32 36.812 7.267 19.479 244 HE2 LYS 32 HE2 LYS 32 35.304 8.805 20.038 245 HE3 LYS 32 HE3 LYS 32 35.051 7.911 21.536 246 HZ1 LYS 32 HZ1 LYS 32 35.537 10.058 22.227 247 HZ2 LYS 32 HZ2 LYS 32 36.753 10.278 21.071 248 HZ3 LYS 32 HZ3 LYS 32 37.020 9.262 22.397 Start of MODEL 13 1 H1 ARG 1 H ARG 1 5.892 3.069 -6.362 2 HA ARG 1 HA ARG 1 4.722 3.635 -4.418 3 HB2 ARG 1 HB2 ARG 1 2.766 2.255 -5.544 4 HB3 ARG 1 HB3 ARG 1 3.263 1.030 -4.384 5 HG2 ARG 1 HG2 ARG 1 1.660 2.107 -3.177 6 HG3 ARG 1 HG3 ARG 1 3.084 3.027 -2.687 7 HD2 ARG 1 HD2 ARG 1 1.477 3.893 -5.056 8 HD3 ARG 1 HD3 ARG 1 0.924 4.276 -3.426 9 HE ARG 1 HE ARG 1 3.539 5.081 -3.491 10 HH11 ARG 1 HH11 ARG 1 0.675 5.786 -5.339 11 HH12 ARG 1 HH12 ARG 1 1.163 7.404 -5.723 12 HH21 ARG 1 HH21 ARG 1 4.193 7.208 -3.989 13 HH22 ARG 1 HH22 ARG 1 3.165 8.211 -4.956 14 H ARG 2 H ARG 2 6.610 3.467 -3.276 15 HA ARG 2 HA ARG 2 6.906 1.064 -1.666 16 HB2 ARG 2 HB2 ARG 2 8.680 1.730 -3.863 17 HB3 ARG 2 HB3 ARG 2 9.547 1.672 -2.335 18 HG2 ARG 2 HG2 ARG 2 9.129 -0.568 -2.024 19 HG3 ARG 2 HG3 ARG 2 7.693 -0.549 -3.050 20 HD2 ARG 2 HD2 ARG 2 10.194 0.147 -4.419 21 HD3 ARG 2 HD3 ARG 2 10.130 -1.502 -3.797 22 HE ARG 2 HE ARG 2 7.742 -0.940 -5.165 23 HH11 ARG 2 HH11 ARG 2 11.130 -1.456 -5.778 24 HH12 ARG 2 HH12 ARG 2 10.879 -2.083 -7.373 25 HH21 ARG 2 HH21 ARG 2 7.399 -1.764 -7.264 26 HH22 ARG 2 HH22 ARG 2 8.757 -2.257 -8.218 27 H SER 3 H SER 3 7.365 1.575 0.378 28 HA SER 3 HA SER 3 9.052 3.762 1.107 29 HB2 SER 3 HB2 SER 3 7.253 4.972 2.416 30 HB3 SER 3 HB3 SER 3 7.146 5.138 0.664 31 HG SER 3 HG SER 3 5.135 4.584 1.163 32 H ARG 4 H ARG 4 10.185 2.625 2.555 33 HA ARG 4 HA ARG 4 10.716 1.336 4.356 34 HB2 ARG 4 HB2 ARG 4 9.343 3.367 5.305 35 HB3 ARG 4 HB3 ARG 4 8.144 2.131 5.661 36 HG2 ARG 4 HG2 ARG 4 10.877 1.486 6.515 37 HG3 ARG 4 HG3 ARG 4 10.135 2.864 7.333 38 HD2 ARG 4 HD2 ARG 4 8.088 1.124 7.410 39 HD3 ARG 4 HD3 ARG 4 9.441 -0.006 7.425 40 HE ARG 4 HE ARG 4 9.898 0.638 9.568 41 HH11 ARG 4 HH11 ARG 4 7.851 3.031 8.085 42 HH12 ARG 4 HH12 ARG 4 7.618 3.928 9.549 43 HH21 ARG 4 HH21 ARG 4 9.599 1.810 11.502 44 HH22 ARG 4 HH22 ARG 4 8.613 3.233 11.492 45 H LYS 5 H LYS 5 9.796 -0.264 2.484 46 HA LYS 5 HA LYS 5 8.579 -2.399 3.956 47 HB2 LYS 5 HB2 LYS 5 6.724 -0.774 2.938 48 HB3 LYS 5 HB3 LYS 5 7.035 -1.735 1.498 49 HG2 LYS 5 HG2 LYS 5 6.753 -3.706 3.290 50 HG3 LYS 5 HG3 LYS 5 5.724 -2.480 4.033 51 HD2 LYS 5 HD2 LYS 5 4.687 -2.227 1.694 52 HD3 LYS 5 HD3 LYS 5 5.471 -3.767 1.333 53 HE2 LYS 5 HE2 LYS 5 4.085 -3.889 3.856 54 HE3 LYS 5 HE3 LYS 5 2.996 -3.364 2.573 55 HZ1 LYS 5 HZ1 LYS 5 4.718 -5.608 1.924 56 HZ2 LYS 5 HZ2 LYS 5 3.084 -5.356 1.565 57 HZ3 LYS 5 HZ3 LYS 5 3.537 -5.915 3.096 58 H ASN 6 H ASN 6 11.043 -1.969 2.580 59 HA ASN 6 HA ASN 6 11.302 -4.385 1.203 60 HB2 ASN 6 HB2 ASN 6 10.088 -2.501 -0.418 61 HB3 ASN 6 HB3 ASN 6 11.783 -2.394 -0.884 62 HD21 ASN 6 HD21 ASN 6 8.903 -4.188 -1.082 63 HD22 ASN 6 HD22 ASN 6 9.512 -5.508 -2.015 64 H GLY 7 H GLY 7 12.468 -1.105 1.671 65 HA2 GLY 7 HA2 GLY 7 15.192 -2.195 1.910 66 HA3 GLY 7 HA3 GLY 7 14.911 -0.783 0.901 67 H ILE 8 H ILE 8 13.651 -1.696 4.101 68 HA ILE 8 HA ILE 8 13.641 0.839 5.193 69 HB ILE 8 HB ILE 8 14.205 -1.697 6.731 70 HG12 ILE 8 HG12 ILE 8 11.483 -0.983 6.917 71 HG13 ILE 8 HG13 ILE 8 11.892 -0.899 5.207 72 HG21 ILE 8 HG21 ILE 8 13.251 -0.558 8.615 73 HG22 ILE 8 HG22 ILE 8 14.530 0.449 7.939 74 HG23 ILE 8 HG23 ILE 8 12.840 0.838 7.620 75 HD11 ILE 8 HD11 ILE 8 11.877 -3.104 5.033 76 HD12 ILE 8 HD12 ILE 8 12.972 -3.282 6.405 77 HD13 ILE 8 HD13 ILE 8 11.233 -3.163 6.674 78 H GLY 9 H GLY 9 16.285 -1.483 5.007 79 HA2 GLY 9 HA2 GLY 9 18.144 0.673 5.693 80 HA3 GLY 9 HA3 GLY 9 18.193 -0.785 6.673 81 H TYR 10 H TYR 10 17.408 -1.111 3.332 82 HA TYR 10 HA TYR 10 19.689 -2.772 2.879 83 HB2 TYR 10 HB2 TYR 10 17.384 -1.840 1.201 84 HB3 TYR 10 HB3 TYR 10 18.753 -2.645 0.443 85 HD1 TYR 10 HD1 TYR 10 16.756 -3.202 3.561 86 HD2 TYR 10 HD2 TYR 10 18.322 -4.852 -0.034 87 HE1 TYR 10 HE1 TYR 10 15.790 -5.386 4.150 88 HE2 TYR 10 HE2 TYR 10 17.360 -7.041 0.544 89 HH TYR 10 HH TYR 10 16.665 -8.238 2.681 90 H ALA 11 H ALA 11 18.588 0.214 1.261 91 HA ALA 11 HA ALA 11 21.074 0.643 -0.050 92 HB1 ALA 11 HB1 ALA 11 20.116 2.542 -0.967 93 HB2 ALA 11 HB2 ALA 11 18.716 1.512 -0.665 94 HB3 ALA 11 HB3 ALA 11 19.095 2.832 0.442 95 H ILE 12 H ILE 12 19.556 2.077 2.820 96 HA ILE 12 HA ILE 12 21.538 3.975 3.381 97 HB ILE 12 HB ILE 12 19.890 2.533 5.455 98 HG12 ILE 12 HG12 ILE 12 18.665 4.974 4.787 99 HG13 ILE 12 HG13 ILE 12 19.037 4.197 3.252 100 HG21 ILE 12 HG21 ILE 12 20.069 4.650 6.674 101 HG22 ILE 12 HG22 ILE 12 21.654 3.954 6.342 102 HG23 ILE 12 HG23 ILE 12 21.067 5.308 5.377 103 HD11 ILE 12 HD11 ILE 12 17.698 2.351 3.734 104 HD12 ILE 12 HD12 ILE 12 17.640 2.730 5.456 105 HD13 ILE 12 HD13 ILE 12 16.766 3.736 4.301 106 H GLY 13 H GLY 13 21.147 0.645 4.577 107 HA2 GLY 13 HA2 GLY 13 23.474 0.669 6.197 108 HA3 GLY 13 HA3 GLY 13 22.618 -0.763 5.643 109 H TYR 14 H TYR 14 22.952 0.025 2.807 110 HA TYR 14 HA TYR 14 25.222 -1.447 2.193 111 HB2 TYR 14 HB2 TYR 14 23.257 -0.759 0.679 112 HB3 TYR 14 HB3 TYR 14 24.168 0.718 0.385 113 HD1 TYR 14 HD2 TYR 14 26.311 0.637 -0.818 114 HD2 TYR 14 HD1 TYR 14 23.944 -2.857 -0.275 115 HE1 TYR 14 HE2 TYR 14 27.601 -0.503 -2.575 116 HE2 TYR 14 HE1 TYR 14 25.228 -4.007 -2.030 117 HH TYR 14 HH TYR 14 27.589 -3.773 -3.034 118 H ALA 15 H ALA 15 24.828 2.093 2.147 119 HA ALA 15 HA ALA 15 27.571 2.602 1.574 120 HB1 ALA 15 HB1 ALA 15 25.294 4.330 2.492 121 HB2 ALA 15 HB2 ALA 15 26.930 4.964 2.310 122 HB3 ALA 15 HB3 ALA 15 26.086 4.289 0.916 123 H PHE 16 H PHE 16 25.634 2.604 4.537 124 HA PHE 16 HA PHE 16 27.482 3.647 6.314 125 HB2 PHE 16 HB2 PHE 16 25.051 2.064 6.483 126 HB3 PHE 16 HB3 PHE 16 26.194 1.637 7.752 127 HD1 PHE 16 HD1 PHE 16 27.406 3.934 8.699 128 HD2 PHE 16 HD2 PHE 16 23.459 3.557 7.150 129 HE1 PHE 16 HE1 PHE 16 26.715 5.912 9.988 130 HE2 PHE 16 HE2 PHE 16 22.762 5.536 8.436 131 HZ PHE 16 HZ PHE 16 24.391 6.716 9.857 132 H GLY 17 H GLY 17 27.013 0.241 5.388 133 HA2 GLY 17 HA2 GLY 17 29.012 -0.863 6.999 134 HA3 GLY 17 HA3 GLY 17 28.427 -1.563 5.497 135 H ALA 18 H ALA 18 29.235 0.724 3.878 136 HA ALA 18 HA ALA 18 31.933 -0.091 3.372 137 HB1 ALA 18 HB1 ALA 18 30.743 0.405 1.438 138 HB2 ALA 18 HB2 ALA 18 30.074 1.892 2.112 139 HB3 ALA 18 HB3 ALA 18 31.775 1.819 1.650 140 H VAL 19 H VAL 19 30.390 2.841 4.628 141 HA VAL 19 HA VAL 19 32.588 4.515 4.778 142 HB VAL 19 HB VAL 19 30.266 4.304 6.697 143 HG11 VAL 19 HG11 VAL 19 30.936 6.804 7.028 144 HG12 VAL 19 HG12 VAL 19 31.775 5.539 7.929 145 HG13 VAL 19 HG13 VAL 19 32.523 6.248 6.497 146 HG21 VAL 19 HG21 VAL 19 30.405 5.142 4.017 147 HG22 VAL 19 HG22 VAL 19 29.052 5.316 5.135 148 HG23 VAL 19 HG23 VAL 19 30.248 6.604 4.991 149 H GLU 20 H GLU 20 31.720 1.804 6.794 150 HA GLU 20 HA GLU 20 33.551 2.425 8.908 151 HB2 GLU 20 HB2 GLU 20 32.525 -0.340 8.375 152 HB3 GLU 20 HB3 GLU 20 32.855 0.441 9.914 153 HG2 GLU 20 HG2 GLU 20 30.888 2.029 8.978 154 HG3 GLU 20 HG3 GLU 20 30.439 0.491 8.244 155 H ARG 21 H ARG 21 33.572 0.203 6.144 156 HA ARG 21 HA ARG 21 36.013 -1.049 6.662 157 HB2 ARG 21 HB2 ARG 21 34.239 -0.713 4.338 158 HB3 ARG 21 HB3 ARG 21 35.926 -1.001 3.933 159 HG2 ARG 21 HG2 ARG 21 34.769 -2.774 5.983 160 HG3 ARG 21 HG3 ARG 21 34.139 -2.955 4.344 161 HD2 ARG 21 HD2 ARG 21 36.821 -2.805 3.891 162 HD3 ARG 21 HD3 ARG 21 36.771 -3.634 5.446 163 HE ARG 21 HE ARG 21 34.962 -4.999 3.985 164 HH11 ARG 21 HH11 ARG 21 38.260 -4.052 3.394 165 HH12 ARG 21 HH12 ARG 21 38.610 -5.420 2.390 166 HH21 ARG 21 HH21 ARG 21 35.411 -6.804 2.664 167 HH22 ARG 21 HH22 ARG 21 36.988 -6.984 1.975 168 H ALA 22 H ALA 22 35.283 2.051 5.215 169 HA ALA 22 HA ALA 22 37.710 2.620 3.975 170 HB1 ALA 22 HB1 ALA 22 36.598 4.472 3.481 171 HB2 ALA 22 HB2 ALA 22 35.347 4.034 4.645 172 HB3 ALA 22 HB3 ALA 22 36.726 5.007 5.157 173 H VAL 23 H VAL 23 36.689 3.317 7.314 174 HA VAL 23 HA VAL 23 39.297 4.311 8.035 175 HB VAL 23 HB VAL 23 37.174 3.561 10.020 176 HG11 VAL 23 HG11 VAL 23 38.507 6.083 10.402 177 HG12 VAL 23 HG12 VAL 23 38.465 4.667 11.453 178 HG13 VAL 23 HG13 VAL 23 39.682 4.787 10.182 179 HG21 VAL 23 HG21 VAL 23 35.891 4.768 8.458 180 HG22 VAL 23 HG22 VAL 23 36.333 5.941 9.698 181 HG23 VAL 23 HG23 VAL 23 37.191 5.921 8.157 182 H LEU 24 H LEU 24 37.591 1.287 8.185 183 HA LEU 24 HA LEU 24 39.016 -0.019 10.196 184 HB2 LEU 24 HB2 LEU 24 37.000 -0.689 8.499 185 HB3 LEU 24 HB3 LEU 24 38.326 -1.657 7.859 186 HG LEU 24 HG LEU 24 38.251 -1.988 10.689 187 HD11 LEU 24 HD11 LEU 24 35.834 -1.225 10.229 188 HD12 LEU 24 HD12 LEU 24 36.093 -2.701 11.159 189 HD13 LEU 24 HD13 LEU 24 35.647 -2.800 9.456 190 HD21 LEU 24 HD21 LEU 24 39.182 -3.596 9.151 191 HD22 LEU 24 HD22 LEU 24 37.613 -3.817 8.377 192 HD23 LEU 24 HD23 LEU 24 37.856 -4.342 10.043 193 H GLY 25 H GLY 25 39.885 0.731 6.906 194 HA2 GLY 25 HA2 GLY 25 42.505 -0.545 7.383 195 HA3 GLY 25 HA3 GLY 25 41.688 -0.691 5.834 196 H GLY 26 H GLY 26 41.651 2.252 7.734 197 HA2 GLY 26 HA2 GLY 26 43.089 3.584 5.546 198 HA3 GLY 26 HA3 GLY 26 42.055 4.374 6.728 199 H SER 27 H SER 27 42.903 4.058 9.076 200 HA SER 27 HA SER 27 45.674 3.750 9.515 201 HB2 SER 27 HB2 SER 27 46.079 5.780 8.380 202 HB3 SER 27 HB3 SER 27 44.662 6.557 9.086 203 HG SER 27 HG SER 27 46.240 7.334 10.318 204 H ARG 28 H ARG 28 46.291 4.205 11.723 205 HA ARG 28 HA ARG 28 44.248 5.019 13.595 206 HB2 ARG 28 HB2 ARG 28 44.466 2.291 12.949 207 HB3 ARG 28 HB3 ARG 28 45.244 2.473 14.516 208 HG2 ARG 28 HG2 ARG 28 42.539 3.644 14.001 209 HG3 ARG 28 HG3 ARG 28 42.733 1.944 14.435 210 HD2 ARG 28 HD2 ARG 28 44.312 3.227 16.278 211 HD3 ARG 28 HD3 ARG 28 42.960 4.343 16.082 212 HE ARG 28 HE ARG 28 42.904 1.756 17.326 213 HH11 ARG 28 HH11 ARG 28 41.018 4.182 15.691 214 HH12 ARG 28 HH12 ARG 28 39.517 3.674 16.393 215 HH21 ARG 28 HH21 ARG 28 40.935 1.078 18.257 216 HH22 ARG 28 HH22 ARG 28 39.471 1.910 17.853 217 H ASP 29 H ASP 29 45.477 6.494 14.602 218 HA ASP 29 HA ASP 29 47.412 5.759 16.472 219 HB2 ASP 29 HB2 ASP 29 48.521 5.700 13.956 220 HB3 ASP 29 HB3 ASP 29 48.933 7.321 14.510 221 H TYR 30 H TYR 30 45.128 7.442 16.255 222 HA TYR 30 HA TYR 30 46.167 9.793 17.520 223 HB2 TYR 30 HB2 TYR 30 44.875 11.320 15.883 224 HB3 TYR 30 HB3 TYR 30 46.456 10.723 15.392 225 HD1 TYR 30 HD1 TYR 30 42.917 9.507 15.234 226 HD2 TYR 30 HD2 TYR 30 46.601 10.091 13.187 227 HE1 TYR 30 HE1 TYR 30 41.921 8.574 13.189 228 HE2 TYR 30 HE2 TYR 30 45.614 9.161 11.135 229 HH TYR 30 HH TYR 30 43.106 8.972 10.219 230 H ASN 31 H ASN 31 44.314 7.537 17.991 231 HA ASN 31 HA ASN 31 42.368 8.861 19.493 232 HB2 ASN 31 HB2 ASN 31 41.689 8.794 16.769 233 HB3 ASN 31 HB3 ASN 31 40.711 7.539 17.526 234 HD21 ASN 31 HD21 ASN 31 39.810 8.330 19.747 235 HD22 ASN 31 HD22 ASN 31 39.030 9.871 19.693 236 H LYS 32 H LYS 32 41.838 7.491 21.059 237 HA LYS 32 HA LYS 32 41.509 5.576 22.241 238 HB2 LYS 32 HB2 LYS 32 39.791 5.264 20.395 239 HB3 LYS 32 HB3 LYS 32 40.965 4.225 19.598 240 HG2 LYS 32 HG2 LYS 32 39.987 2.572 20.728 241 HG3 LYS 32 HG3 LYS 32 40.897 3.173 22.116 242 HD2 LYS 32 HD2 LYS 32 39.065 4.192 23.048 243 HD3 LYS 32 HD3 LYS 32 38.265 4.420 21.491 244 HE2 LYS 32 HE2 LYS 32 36.972 2.729 22.267 245 HE3 LYS 32 HE3 LYS 32 38.266 1.750 21.579 246 HZ1 LYS 32 HZ1 LYS 32 39.174 1.346 23.660 247 HZ2 LYS 32 HZ2 LYS 32 37.511 1.253 23.952 248 HZ3 LYS 32 HZ3 LYS 32 38.370 2.643 24.390 Start of MODEL 14 1 H1 ARG 1 H ARG 1 6.895 1.904 -6.533 2 HA ARG 1 HA ARG 1 7.032 3.614 -4.161 3 HB2 ARG 1 HB2 ARG 1 5.057 1.375 -4.596 4 HB3 ARG 1 HB3 ARG 1 5.466 1.986 -2.998 5 HG2 ARG 1 HG2 ARG 1 4.535 4.100 -3.455 6 HG3 ARG 1 HG3 ARG 1 4.439 3.766 -5.185 7 HD2 ARG 1 HD2 ARG 1 2.285 3.305 -4.701 8 HD3 ARG 1 HD3 ARG 1 2.947 1.740 -4.230 9 HE ARG 1 HE ARG 1 3.112 3.228 -1.962 10 HH11 ARG 1 HH11 ARG 1 0.538 2.437 -4.168 11 HH12 ARG 1 HH12 ARG 1 -0.698 2.508 -2.956 12 HH21 ARG 1 HH21 ARG 1 1.494 3.326 -0.357 13 HH22 ARG 1 HH22 ARG 1 -0.154 3.015 -0.789 14 H ARG 2 H ARG 2 9.017 2.075 -5.603 15 HA ARG 2 HA ARG 2 9.537 -0.355 -4.200 16 HB2 ARG 2 HB2 ARG 2 10.527 0.896 -6.491 17 HB3 ARG 2 HB3 ARG 2 11.891 0.858 -5.382 18 HG2 ARG 2 HG2 ARG 2 12.106 -1.379 -5.508 19 HG3 ARG 2 HG3 ARG 2 10.365 -1.648 -5.612 20 HD2 ARG 2 HD2 ARG 2 10.532 -1.919 -7.809 21 HD3 ARG 2 HD3 ARG 2 11.192 -0.292 -7.965 22 HE ARG 2 HE ARG 2 13.287 -1.195 -8.198 23 HH11 ARG 2 HH11 ARG 2 11.099 -3.634 -7.024 24 HH12 ARG 2 HH12 ARG 2 12.231 -4.931 -7.223 25 HH21 ARG 2 HH21 ARG 2 14.786 -2.893 -8.465 26 HH22 ARG 2 HH22 ARG 2 14.328 -4.508 -8.042 27 H SER 3 H SER 3 11.820 -0.597 -3.162 28 HA SER 3 HA SER 3 13.202 -0.157 -1.408 29 HB2 SER 3 HB2 SER 3 12.957 2.329 -2.798 30 HB3 SER 3 HB3 SER 3 12.975 2.659 -1.066 31 HG SER 3 HG SER 3 14.957 1.599 -2.701 32 H ARG 4 H ARG 4 10.231 -0.433 -1.131 33 HA ARG 4 HA ARG 4 10.114 0.081 1.689 34 HB2 ARG 4 HB2 ARG 4 9.368 2.225 0.281 35 HB3 ARG 4 HB3 ARG 4 7.846 1.345 0.239 36 HG2 ARG 4 HG2 ARG 4 7.374 2.167 2.236 37 HG3 ARG 4 HG3 ARG 4 8.721 1.238 2.898 38 HD2 ARG 4 HD2 ARG 4 9.564 3.224 3.489 39 HD3 ARG 4 HD3 ARG 4 9.989 3.391 1.786 40 HE ARG 4 HE ARG 4 8.370 4.997 1.574 41 HH11 ARG 4 HH11 ARG 4 7.875 3.256 4.548 42 HH12 ARG 4 HH12 ARG 4 6.642 4.329 5.123 43 HH21 ARG 4 HH21 ARG 4 6.748 6.416 2.320 44 HH22 ARG 4 HH22 ARG 4 6.001 6.126 3.854 45 H LYS 5 H LYS 5 9.961 -2.199 -0.059 46 HA LYS 5 HA LYS 5 7.662 -3.464 1.066 47 HB2 LYS 5 HB2 LYS 5 7.115 -2.142 -1.265 48 HB3 LYS 5 HB3 LYS 5 7.526 -3.746 -1.859 49 HG2 LYS 5 HG2 LYS 5 5.853 -4.338 0.205 50 HG3 LYS 5 HG3 LYS 5 5.169 -2.825 -0.394 51 HD2 LYS 5 HD2 LYS 5 5.732 -4.263 -2.694 52 HD3 LYS 5 HD3 LYS 5 5.126 -5.481 -1.569 53 HE2 LYS 5 HE2 LYS 5 3.098 -4.275 -1.239 54 HE3 LYS 5 HE3 LYS 5 3.723 -2.870 -2.102 55 HZ1 LYS 5 HZ1 LYS 5 3.684 -5.358 -3.597 56 HZ2 LYS 5 HZ2 LYS 5 3.289 -3.790 -4.092 57 HZ3 LYS 5 HZ3 LYS 5 2.167 -4.710 -3.222 58 H ASN 6 H ASN 6 10.512 -3.839 1.029 59 HA ASN 6 HA ASN 6 10.655 -6.612 0.724 60 HB2 ASN 6 HB2 ASN 6 10.936 -5.242 -1.739 61 HB3 ASN 6 HB3 ASN 6 12.537 -5.826 -1.295 62 HD21 ASN 6 HD21 ASN 6 12.717 -8.114 -0.742 63 HD22 ASN 6 HD22 ASN 6 11.701 -9.247 -1.560 64 H GLY 7 H GLY 7 12.363 -3.542 0.728 65 HA2 GLY 7 HA2 GLY 7 14.587 -4.831 2.181 66 HA3 GLY 7 HA3 GLY 7 14.730 -3.343 1.257 67 H ILE 8 H ILE 8 13.259 -4.761 4.143 68 HA ILE 8 HA ILE 8 12.256 -2.447 5.311 69 HB ILE 8 HB ILE 8 13.486 -4.799 6.753 70 HG12 ILE 8 HG12 ILE 8 10.668 -4.916 6.791 71 HG13 ILE 8 HG13 ILE 8 11.120 -4.576 5.124 72 HG21 ILE 8 HG21 ILE 8 11.861 -4.124 8.545 73 HG22 ILE 8 HG22 ILE 8 13.198 -3.007 8.285 74 HG23 ILE 8 HG23 ILE 8 11.599 -2.631 7.645 75 HD11 ILE 8 HD11 ILE 8 10.882 -7.004 5.770 76 HD12 ILE 8 HD12 ILE 8 12.381 -6.550 4.959 77 HD13 ILE 8 HD13 ILE 8 12.363 -6.800 6.705 78 H GLY 9 H GLY 9 15.501 -3.870 5.569 79 HA2 GLY 9 HA2 GLY 9 16.470 -1.239 6.474 80 HA3 GLY 9 HA3 GLY 9 16.935 -2.692 7.347 81 H TYR 10 H TYR 10 16.572 -2.833 3.907 82 HA TYR 10 HA TYR 10 19.315 -3.608 3.594 83 HB2 TYR 10 HB2 TYR 10 16.981 -3.311 1.726 84 HB3 TYR 10 HB3 TYR 10 18.602 -3.577 1.095 85 HD1 TYR 10 HD1 TYR 10 16.362 -5.006 3.732 86 HD2 TYR 10 HD2 TYR 10 19.183 -5.757 0.637 87 HE1 TYR 10 HE1 TYR 10 16.092 -7.426 4.082 88 HE2 TYR 10 HE2 TYR 10 18.921 -8.179 0.977 89 HH TYR 10 HH TYR 10 18.000 -9.773 2.226 90 H ALA 11 H ALA 11 17.386 -1.027 2.056 91 HA ALA 11 HA ALA 11 19.570 0.345 0.956 92 HB1 ALA 11 HB1 ALA 11 17.936 1.502 0.003 93 HB2 ALA 11 HB2 ALA 11 16.771 0.651 1.018 94 HB3 ALA 11 HB3 ALA 11 17.465 2.178 1.563 95 H ILE 12 H ILE 12 17.792 0.892 3.985 96 HA ILE 12 HA ILE 12 19.221 3.153 4.828 97 HB ILE 12 HB ILE 12 18.029 1.077 6.662 98 HG12 ILE 12 HG12 ILE 12 16.202 3.180 6.289 99 HG13 ILE 12 HG13 ILE 12 16.744 2.737 4.674 100 HG21 ILE 12 HG21 ILE 12 18.529 4.035 6.948 101 HG22 ILE 12 HG22 ILE 12 17.623 3.059 8.102 102 HG23 ILE 12 HG23 ILE 12 19.332 2.729 7.820 103 HD11 ILE 12 HD11 ILE 12 14.708 1.545 5.445 104 HD12 ILE 12 HD12 ILE 12 16.038 0.481 4.987 105 HD13 ILE 12 HD13 ILE 12 15.689 0.773 6.691 106 H GLY 13 H GLY 13 19.705 -0.290 5.601 107 HA2 GLY 13 HA2 GLY 13 21.967 0.113 7.253 108 HA3 GLY 13 HA3 GLY 13 21.508 -1.402 6.490 109 H TYR 14 H TYR 14 21.602 -0.219 3.792 110 HA TYR 14 HA TYR 14 24.184 -0.931 3.065 111 HB2 TYR 14 HB2 TYR 14 22.094 -0.637 1.593 112 HB3 TYR 14 HB3 TYR 14 22.555 1.059 1.498 113 HD1 TYR 14 HD2 TYR 14 24.665 1.707 0.384 114 HD2 TYR 14 HD1 TYR 14 23.288 -2.319 0.378 115 HE1 TYR 14 HE2 TYR 14 26.205 1.189 -1.463 116 HE2 TYR 14 HE1 TYR 14 24.825 -2.848 -1.468 117 HH TYR 14 HH TYR 14 27.343 -0.815 -2.402 118 H ALA 15 H ALA 15 22.831 2.345 3.422 119 HA ALA 15 HA ALA 15 25.318 3.655 2.971 120 HB1 ALA 15 HB1 ALA 15 22.667 4.560 4.048 121 HB2 ALA 15 HB2 ALA 15 24.062 5.639 3.984 122 HB3 ALA 15 HB3 ALA 15 23.419 4.938 2.498 123 H PHE 16 H PHE 16 23.523 2.716 5.870 124 HA PHE 16 HA PHE 16 25.049 4.015 7.793 125 HB2 PHE 16 HB2 PHE 16 23.141 1.814 7.731 126 HB3 PHE 16 HB3 PHE 16 24.365 1.598 8.978 127 HD1 PHE 16 HD1 PHE 16 24.806 3.670 10.496 128 HD2 PHE 16 HD2 PHE 16 21.279 3.090 8.185 129 HE1 PHE 16 HE1 PHE 16 23.594 5.233 11.960 130 HE2 PHE 16 HE2 PHE 16 20.062 4.653 9.644 131 HZ PHE 16 HZ PHE 16 21.219 5.728 11.534 132 H GLY 17 H GLY 17 25.492 0.761 6.423 133 HA2 GLY 17 HA2 GLY 17 27.697 -0.026 7.923 134 HA3 GLY 17 HA3 GLY 17 27.351 -0.577 6.290 135 H ALA 18 H ALA 18 27.543 2.079 5.118 136 HA ALA 18 HA ALA 18 30.372 2.111 4.674 137 HB1 ALA 18 HB1 ALA 18 28.930 2.558 2.819 138 HB2 ALA 18 HB2 ALA 18 28.164 3.899 3.673 139 HB3 ALA 18 HB3 ALA 18 29.848 4.024 3.165 140 H VAL 19 H VAL 19 28.057 4.270 6.266 141 HA VAL 19 HA VAL 19 29.712 6.416 6.830 142 HB VAL 19 HB VAL 19 27.489 5.274 8.527 143 HG11 VAL 19 HG11 VAL 19 28.417 6.647 10.075 144 HG12 VAL 19 HG12 VAL 19 29.227 7.646 8.866 145 HG13 VAL 19 HG13 VAL 19 27.505 7.863 9.181 146 HG21 VAL 19 HG21 VAL 19 26.035 6.320 7.187 147 HG22 VAL 19 HG22 VAL 19 27.036 7.769 7.083 148 HG23 VAL 19 HG23 VAL 19 27.359 6.396 6.024 149 H GLU 20 H GLU 20 29.584 3.264 8.312 150 HA GLU 20 HA GLU 20 31.108 3.974 10.632 151 HB2 GLU 20 HB2 GLU 20 30.919 1.175 9.575 152 HB3 GLU 20 HB3 GLU 20 30.973 1.729 11.243 153 HG2 GLU 20 HG2 GLU 20 28.667 2.854 10.485 154 HG3 GLU 20 HG3 GLU 20 28.684 1.462 9.404 155 H ARG 21 H ARG 21 31.832 2.327 7.570 156 HA ARG 21 HA ARG 21 34.516 1.747 8.063 157 HB2 ARG 21 HB2 ARG 21 32.769 1.917 5.711 158 HB3 ARG 21 HB3 ARG 21 34.464 2.232 5.364 159 HG2 ARG 21 HG2 ARG 21 35.024 0.088 5.602 160 HG3 ARG 21 HG3 ARG 21 34.056 -0.096 7.066 161 HD2 ARG 21 HD2 ARG 21 32.032 -0.091 5.495 162 HD3 ARG 21 HD3 ARG 21 33.199 -0.356 4.201 163 HE ARG 21 HE ARG 21 32.265 -2.282 6.074 164 HH11 ARG 21 HH11 ARG 21 35.055 -1.321 4.227 165 HH12 ARG 21 HH12 ARG 21 35.731 -2.915 4.173 166 HH21 ARG 21 HH21 ARG 21 33.144 -4.386 6.010 167 HH22 ARG 21 HH22 ARG 21 34.643 -4.658 5.187 168 H ALA 22 H ALA 22 32.957 4.727 7.178 169 HA ALA 22 HA ALA 22 35.145 6.147 6.159 170 HB1 ALA 22 HB1 ALA 22 32.579 6.735 6.365 171 HB2 ALA 22 HB2 ALA 22 33.131 7.579 7.812 172 HB3 ALA 22 HB3 ALA 22 33.806 7.995 6.237 173 H VAL 23 H VAL 23 33.916 5.918 9.491 174 HA VAL 23 HA VAL 23 36.103 7.478 10.538 175 HB VAL 23 HB VAL 23 34.265 5.809 12.226 176 HG11 VAL 23 HG11 VAL 23 35.866 6.842 13.554 177 HG12 VAL 23 HG12 VAL 23 35.870 8.313 12.579 178 HG13 VAL 23 HG13 VAL 23 34.505 7.959 13.638 179 HG21 VAL 23 HG21 VAL 23 33.614 8.340 10.749 180 HG22 VAL 23 HG22 VAL 23 32.685 6.843 10.841 181 HG23 VAL 23 HG23 VAL 23 32.791 7.904 12.247 182 H LEU 24 H LEU 24 35.244 4.083 10.287 183 HA LEU 24 HA LEU 24 37.060 2.973 12.072 184 HB2 LEU 24 HB2 LEU 24 35.228 2.003 10.309 185 HB3 LEU 24 HB3 LEU 24 36.739 1.507 9.550 186 HG LEU 24 HG LEU 24 37.051 0.748 12.194 187 HD11 LEU 24 HD11 LEU 24 34.888 -0.735 12.311 188 HD12 LEU 24 HD12 LEU 24 34.194 0.587 11.373 189 HD13 LEU 24 HD13 LEU 24 34.900 0.906 12.958 190 HD21 LEU 24 HD21 LEU 24 36.104 -0.861 9.824 191 HD22 LEU 24 HD22 LEU 24 36.803 -1.526 11.300 192 HD23 LEU 24 HD23 LEU 24 37.779 -0.504 10.244 193 H GLY 25 H GLY 25 37.525 4.078 8.757 194 HA2 GLY 25 HA2 GLY 25 40.366 3.326 8.922 195 HA3 GLY 25 HA3 GLY 25 39.495 3.699 7.442 196 H GLY 26 H GLY 26 38.300 6.087 8.029 197 HA2 GLY 26 HA2 GLY 26 40.521 7.882 7.794 198 HA3 GLY 26 HA3 GLY 26 38.820 8.323 7.793 199 H SER 27 H SER 27 41.518 7.435 9.902 200 HA SER 27 HA SER 27 40.919 9.480 11.767 201 HB2 SER 27 HB2 SER 27 39.286 7.318 12.134 202 HB3 SER 27 HB3 SER 27 40.631 6.925 13.205 203 HG SER 27 HG SER 27 38.905 8.224 14.148 204 H ARG 28 H ARG 28 42.280 9.171 13.828 205 HA ARG 28 HA ARG 28 44.576 7.440 13.544 206 HB2 ARG 28 HB2 ARG 28 44.653 10.220 12.693 207 HB3 ARG 28 HB3 ARG 28 45.827 9.891 13.960 208 HG2 ARG 28 HG2 ARG 28 46.901 8.231 12.664 209 HG3 ARG 28 HG3 ARG 28 45.589 8.207 11.484 210 HD2 ARG 28 HD2 ARG 28 47.564 9.418 10.659 211 HD3 ARG 28 HD3 ARG 28 46.144 10.456 10.777 212 HE ARG 28 HE ARG 28 47.753 10.576 13.127 213 HH11 ARG 28 HH11 ARG 28 47.474 11.743 9.859 214 HH12 ARG 28 HH12 ARG 28 48.361 13.200 10.166 215 HH21 ARG 28 HH21 ARG 28 48.923 12.490 13.543 216 HH22 ARG 28 HH22 ARG 28 49.185 13.623 12.261 217 H ASP 29 H ASP 29 44.148 6.590 15.539 218 HA ASP 29 HA ASP 29 45.182 7.854 17.801 219 HB2 ASP 29 HB2 ASP 29 42.686 8.881 17.236 220 HB3 ASP 29 HB3 ASP 29 42.331 7.630 18.424 221 H TYR 30 H TYR 30 45.218 5.317 16.480 222 HA TYR 30 HA TYR 30 43.682 3.374 17.826 223 HB2 TYR 30 HB2 TYR 30 46.249 3.261 16.261 224 HB3 TYR 30 HB3 TYR 30 45.592 1.824 17.038 225 HD1 TYR 30 HD1 TYR 30 44.717 4.515 14.619 226 HD2 TYR 30 HD2 TYR 30 43.965 0.546 15.955 227 HE1 TYR 30 HE1 TYR 30 43.252 4.145 12.678 228 HE2 TYR 30 HE2 TYR 30 42.500 0.165 14.017 229 HH TYR 30 HH TYR 30 42.457 2.088 11.337 230 H ASN 31 H ASN 31 47.156 4.103 18.208 231 HA ASN 31 HA ASN 31 47.136 4.257 20.995 232 HB2 ASN 31 HB2 ASN 31 46.555 1.959 21.141 233 HB3 ASN 31 HB3 ASN 31 47.699 1.512 19.879 234 HD21 ASN 31 HD21 ASN 31 47.853 3.350 22.914 235 HD22 ASN 31 HD22 ASN 31 49.216 2.501 23.554 236 H LYS 32 H LYS 32 49.079 2.879 18.349 237 HA LYS 32 HA LYS 32 51.565 3.746 19.424 238 HB2 LYS 32 HB2 LYS 32 50.629 2.324 17.067 239 HB3 LYS 32 HB3 LYS 32 51.933 3.439 16.680 240 HG2 LYS 32 HG2 LYS 32 53.392 2.390 18.251 241 HG3 LYS 32 HG3 LYS 32 52.078 1.395 18.883 242 HD2 LYS 32 HD2 LYS 32 52.207 -0.081 17.181 243 HD3 LYS 32 HD3 LYS 32 52.542 1.174 15.984 244 HE2 LYS 32 HE2 LYS 32 54.838 1.221 16.537 245 HE3 LYS 32 HE3 LYS 32 54.579 0.291 18.013 246 HZ1 LYS 32 HZ1 LYS 32 53.657 -1.404 16.176 247 HZ2 LYS 32 HZ2 LYS 32 55.257 -1.399 16.723 248 HZ3 LYS 32 HZ3 LYS 32 54.857 -0.622 15.275 Start of MODEL 15 1 H1 ARG 1 H ARG 1 4.192 1.141 -4.087 2 HA ARG 1 HA ARG 1 6.274 0.872 -5.060 3 HB2 ARG 1 HB2 ARG 1 5.861 3.372 -3.922 4 HB3 ARG 1 HB3 ARG 1 7.486 2.940 -3.406 5 HG2 ARG 1 HG2 ARG 1 8.264 2.780 -5.611 6 HG3 ARG 1 HG3 ARG 1 6.629 2.737 -6.273 7 HD2 ARG 1 HD2 ARG 1 6.450 5.093 -5.128 8 HD3 ARG 1 HD3 ARG 1 8.209 5.048 -5.245 9 HE ARG 1 HE ARG 1 6.345 5.418 -7.389 10 HH11 ARG 1 HH11 ARG 1 9.517 4.252 -6.556 11 HH12 ARG 1 HH12 ARG 1 10.165 4.491 -8.145 12 HH21 ARG 1 HH21 ARG 1 7.185 5.737 -9.485 13 HH22 ARG 1 HH22 ARG 1 8.838 5.336 -9.810 14 H ARG 2 H ARG 2 7.653 -0.741 -4.768 15 HA ARG 2 HA ARG 2 8.420 -1.773 -2.279 16 HB2 ARG 2 HB2 ARG 2 9.244 -2.191 -5.101 17 HB3 ARG 2 HB3 ARG 2 10.364 -2.737 -3.860 18 HG2 ARG 2 HG2 ARG 2 9.187 -4.620 -3.822 19 HG3 ARG 2 HG3 ARG 2 7.935 -3.698 -2.988 20 HD2 ARG 2 HD2 ARG 2 8.142 -3.955 -5.984 21 HD3 ARG 2 HD3 ARG 2 7.127 -4.981 -4.971 22 HE ARG 2 HE ARG 2 6.342 -2.478 -4.305 23 HH11 ARG 2 HH11 ARG 2 6.693 -4.154 -7.336 24 HH12 ARG 2 HH12 ARG 2 5.423 -3.273 -8.119 25 HH21 ARG 2 HH21 ARG 2 4.668 -1.312 -5.325 26 HH22 ARG 2 HH22 ARG 2 4.273 -1.656 -6.974 27 H SER 3 H SER 3 10.702 -1.989 -1.514 28 HA SER 3 HA SER 3 12.628 -1.080 -0.712 29 HB2 SER 3 HB2 SER 3 12.534 -0.302 -3.461 30 HB3 SER 3 HB3 SER 3 13.169 1.049 -2.522 31 HG SER 3 HG SER 3 14.187 -1.557 -2.807 32 H ARG 4 H ARG 4 9.916 0.071 -0.167 33 HA ARG 4 HA ARG 4 10.766 2.230 1.474 34 HB2 ARG 4 HB2 ARG 4 10.597 3.269 -0.857 35 HB3 ARG 4 HB3 ARG 4 8.860 3.031 -0.718 36 HG2 ARG 4 HG2 ARG 4 8.767 5.018 0.256 37 HG3 ARG 4 HG3 ARG 4 9.574 4.293 1.647 38 HD2 ARG 4 HD2 ARG 4 10.931 6.108 1.157 39 HD3 ARG 4 HD3 ARG 4 11.750 4.777 0.341 40 HE ARG 4 HE ARG 4 9.989 5.937 -1.481 41 HH11 ARG 4 HH11 ARG 4 12.866 6.780 0.288 42 HH12 ARG 4 HH12 ARG 4 13.430 7.900 -0.908 43 HH21 ARG 4 HH21 ARG 4 10.721 7.408 -3.063 44 HH22 ARG 4 HH22 ARG 4 12.209 8.257 -2.813 45 H LYS 5 H LYS 5 9.393 -0.236 1.806 46 HA LYS 5 HA LYS 5 7.231 0.629 3.432 47 HB2 LYS 5 HB2 LYS 5 6.481 0.363 0.821 48 HB3 LYS 5 HB3 LYS 5 6.142 -1.248 1.441 49 HG2 LYS 5 HG2 LYS 5 4.941 0.044 3.358 50 HG3 LYS 5 HG3 LYS 5 4.917 1.366 2.187 51 HD2 LYS 5 HD2 LYS 5 3.942 -0.371 0.559 52 HD3 LYS 5 HD3 LYS 5 3.630 -1.340 2.002 53 HE2 LYS 5 HE2 LYS 5 2.693 1.503 1.681 54 HE3 LYS 5 HE3 LYS 5 1.721 0.107 1.219 55 HZ1 LYS 5 HZ1 LYS 5 2.575 -0.420 3.775 56 HZ2 LYS 5 HZ2 LYS 5 1.022 0.062 3.309 57 HZ3 LYS 5 HZ3 LYS 5 2.155 1.218 3.800 58 H ASN 6 H ASN 6 9.631 -0.925 3.680 59 HA ASN 6 HA ASN 6 8.726 -3.007 5.308 60 HB2 ASN 6 HB2 ASN 6 8.734 -3.703 2.556 61 HB3 ASN 6 HB3 ASN 6 10.076 -4.555 3.312 62 HD21 ASN 6 HD21 ASN 6 9.677 -6.213 4.684 63 HD22 ASN 6 HD22 ASN 6 8.096 -6.823 5.024 64 H GLY 7 H GLY 7 11.296 -1.742 3.275 65 HA2 GLY 7 HA2 GLY 7 13.409 -3.021 4.745 66 HA3 GLY 7 HA3 GLY 7 13.595 -1.768 3.528 67 H ILE 8 H ILE 8 12.729 -2.330 6.911 68 HA ILE 8 HA ILE 8 12.646 0.331 7.754 69 HB ILE 8 HB ILE 8 13.535 -2.080 9.342 70 HG12 ILE 8 HG12 ILE 8 10.905 -1.185 9.988 71 HG13 ILE 8 HG13 ILE 8 11.001 -1.375 8.240 72 HG21 ILE 8 HG21 ILE 8 12.461 -0.503 11.182 73 HG22 ILE 8 HG22 ILE 8 14.161 -0.390 10.732 74 HG23 ILE 8 HG23 ILE 8 12.994 0.748 10.059 75 HD11 ILE 8 HD11 ILE 8 10.658 -3.537 8.528 76 HD12 ILE 8 HD12 ILE 8 12.231 -3.641 9.318 77 HD13 ILE 8 HD13 ILE 8 10.778 -3.370 10.279 78 H GLY 9 H GLY 9 15.373 -1.933 7.578 79 HA2 GLY 9 HA2 GLY 9 17.188 0.368 7.588 80 HA3 GLY 9 HA3 GLY 9 17.440 -0.884 8.795 81 H TYR 10 H TYR 10 16.261 -1.784 5.670 82 HA TYR 10 HA TYR 10 18.556 -3.443 5.220 83 HB2 TYR 10 HB2 TYR 10 16.043 -2.896 3.652 84 HB3 TYR 10 HB3 TYR 10 17.332 -3.910 3.013 85 HD1 TYR 10 HD1 TYR 10 15.366 -3.561 6.180 86 HD2 TYR 10 HD2 TYR 10 17.092 -6.180 3.306 87 HE1 TYR 10 HE1 TYR 10 14.438 -5.491 7.390 88 HE2 TYR 10 HE2 TYR 10 16.168 -8.117 4.507 89 HH TYR 10 HH TYR 10 15.448 -8.551 7.020 90 H ALA 11 H ALA 11 17.059 -0.855 3.270 91 HA ALA 11 HA ALA 11 19.305 -0.586 1.550 92 HB1 ALA 11 HB1 ALA 11 17.144 1.460 2.010 93 HB2 ALA 11 HB2 ALA 11 18.153 1.255 0.577 94 HB3 ALA 11 HB3 ALA 11 16.943 0.038 0.985 95 H ILE 12 H ILE 12 18.126 1.300 4.318 96 HA ILE 12 HA ILE 12 20.058 3.326 4.233 97 HB ILE 12 HB ILE 12 18.795 2.246 6.749 98 HG12 ILE 12 HG12 ILE 12 17.357 4.484 5.844 99 HG13 ILE 12 HG13 ILE 12 17.555 3.450 4.433 100 HG21 ILE 12 HG21 ILE 12 19.805 4.987 6.001 101 HG22 ILE 12 HG22 ILE 12 19.019 4.565 7.521 102 HG23 ILE 12 HG23 ILE 12 20.580 3.855 7.110 103 HD11 ILE 12 HD11 ILE 12 15.481 3.124 5.875 104 HD12 ILE 12 HD12 ILE 12 16.398 1.686 5.425 105 HD13 ILE 12 HD13 ILE 12 16.564 2.367 7.043 106 H GLY 13 H GLY 13 20.018 0.268 6.055 107 HA2 GLY 13 HA2 GLY 13 22.542 0.655 7.286 108 HA3 GLY 13 HA3 GLY 13 21.697 -0.878 7.126 109 H TYR 14 H TYR 14 21.597 -0.598 4.172 110 HA TYR 14 HA TYR 14 23.829 -2.103 3.503 111 HB2 TYR 14 HB2 TYR 14 21.646 -1.738 2.188 112 HB3 TYR 14 HB3 TYR 14 22.438 -0.316 1.519 113 HD1 TYR 14 HD1 TYR 14 24.407 -0.562 0.062 114 HD2 TYR 14 HD2 TYR 14 22.284 -3.952 1.511 115 HE1 TYR 14 HE1 TYR 14 25.499 -1.964 -1.638 116 HE2 TYR 14 HE2 TYR 14 23.370 -5.364 -0.184 117 HH TYR 14 HH TYR 14 25.559 -3.978 -2.602 118 H ALA 15 H ALA 15 23.266 1.364 2.907 119 HA ALA 15 HA ALA 15 25.878 1.826 1.870 120 HB1 ALA 15 HB1 ALA 15 25.236 4.264 2.269 121 HB2 ALA 15 HB2 ALA 15 24.235 3.334 1.153 122 HB3 ALA 15 HB3 ALA 15 23.672 3.640 2.796 123 H PHE 16 H PHE 16 24.357 2.371 5.027 124 HA PHE 16 HA PHE 16 26.385 3.729 6.314 125 HB2 PHE 16 HB2 PHE 16 24.075 2.145 7.106 126 HB3 PHE 16 HB3 PHE 16 25.398 2.001 8.259 127 HD1 PHE 16 HD2 PHE 16 26.607 4.506 8.508 128 HD2 PHE 16 HD1 PHE 16 22.501 3.659 7.774 129 HE1 PHE 16 HE2 PHE 16 25.988 6.674 9.491 130 HE2 PHE 16 HE1 PHE 16 21.875 5.827 8.754 131 HZ PHE 16 HZ PHE 16 23.619 7.337 9.615 132 H GLY 17 H GLY 17 25.985 0.221 5.939 133 HA2 GLY 17 HA2 GLY 17 28.211 -0.554 7.471 134 HA3 GLY 17 HA3 GLY 17 27.468 -1.511 6.198 135 H ALA 18 H ALA 18 27.961 0.551 4.160 136 HA ALA 18 HA ALA 18 30.584 -0.307 3.396 137 HB1 ALA 18 HB1 ALA 18 28.589 1.560 2.141 138 HB2 ALA 18 HB2 ALA 18 30.173 1.238 1.434 139 HB3 ALA 18 HB3 ALA 18 29.018 -0.078 1.645 140 H VAL 19 H VAL 19 29.152 2.759 4.446 141 HA VAL 19 HA VAL 19 31.303 4.454 4.054 142 HB VAL 19 HB VAL 19 29.278 4.493 6.294 143 HG11 VAL 19 HG11 VAL 19 31.393 6.450 5.481 144 HG12 VAL 19 HG12 VAL 19 29.901 7.000 6.245 145 HG13 VAL 19 HG13 VAL 19 30.965 5.876 7.092 146 HG21 VAL 19 HG21 VAL 19 28.855 4.799 3.616 147 HG22 VAL 19 HG22 VAL 19 27.844 5.491 4.885 148 HG23 VAL 19 HG23 VAL 19 29.110 6.465 4.137 149 H GLU 20 H GLU 20 30.832 2.002 6.475 150 HA GLU 20 HA GLU 20 32.885 2.932 8.244 151 HB2 GLU 20 HB2 GLU 20 31.940 0.089 8.165 152 HB3 GLU 20 HB3 GLU 20 32.423 1.057 9.550 153 HG2 GLU 20 HG2 GLU 20 30.303 2.470 8.829 154 HG3 GLU 20 HG3 GLU 20 29.821 0.920 8.142 155 H ARG 21 H ARG 21 32.661 0.347 5.818 156 HA ARG 21 HA ARG 21 35.243 -0.681 6.140 157 HB2 ARG 21 HB2 ARG 21 33.135 -0.814 4.079 158 HB3 ARG 21 HB3 ARG 21 34.767 -1.123 3.502 159 HG2 ARG 21 HG2 ARG 21 34.532 -3.214 4.186 160 HG3 ARG 21 HG3 ARG 21 34.531 -2.613 5.846 161 HD2 ARG 21 HD2 ARG 21 32.198 -2.582 5.957 162 HD3 ARG 21 HD3 ARG 21 32.024 -2.639 4.203 163 HE ARG 21 HE ARG 21 33.216 -4.989 4.749 164 HH11 ARG 21 HH11 ARG 21 30.425 -3.396 6.087 165 HH12 ARG 21 HH12 ARG 21 29.609 -4.873 6.482 166 HH21 ARG 21 HH21 ARG 21 32.153 -6.940 5.264 167 HH22 ARG 21 HH22 ARG 21 30.593 -6.888 6.014 168 H ALA 22 H ALA 22 34.074 2.122 4.427 169 HA ALA 22 HA ALA 22 36.192 2.611 2.692 170 HB1 ALA 22 HB1 ALA 22 34.809 4.271 2.188 171 HB2 ALA 22 HB2 ALA 22 33.939 4.064 3.709 172 HB3 ALA 22 HB3 ALA 22 35.353 5.115 3.638 173 H VAL 23 H VAL 23 35.759 3.741 6.042 174 HA VAL 23 HA VAL 23 38.399 4.898 6.118 175 HB VAL 23 HB VAL 23 36.711 4.396 8.548 176 HG11 VAL 23 HG11 VAL 23 38.375 5.545 9.474 177 HG12 VAL 23 HG12 VAL 23 39.079 5.907 7.897 178 HG13 VAL 23 HG13 VAL 23 37.826 6.953 8.565 179 HG21 VAL 23 HG21 VAL 23 35.118 5.324 7.066 180 HG22 VAL 23 HG22 VAL 23 35.681 6.658 8.073 181 HG23 VAL 23 HG23 VAL 23 36.282 6.484 6.424 182 H LEU 24 H LEU 24 36.875 1.915 7.101 183 HA LEU 24 HA LEU 24 38.691 0.941 8.949 184 HB2 LEU 24 HB2 LEU 24 36.472 -0.031 7.721 185 HB3 LEU 24 HB3 LEU 24 37.728 -1.031 6.995 186 HG LEU 24 HG LEU 24 38.302 -1.135 9.696 187 HD11 LEU 24 HD11 LEU 24 36.044 -1.914 10.595 188 HD12 LEU 24 HD12 LEU 24 35.337 -1.007 9.258 189 HD13 LEU 24 HD13 LEU 24 36.314 -0.176 10.468 190 HD21 LEU 24 HD21 LEU 24 37.881 -3.402 9.475 191 HD22 LEU 24 HD22 LEU 24 38.181 -2.903 7.810 192 HD23 LEU 24 HD23 LEU 24 36.527 -3.149 8.373 193 H GLY 25 H GLY 25 38.842 0.869 5.415 194 HA2 GLY 25 HA2 GLY 25 41.437 -0.475 5.519 195 HA3 GLY 25 HA3 GLY 25 40.496 -0.145 4.072 196 H GLY 26 H GLY 26 40.865 2.441 6.308 197 HA2 GLY 26 HA2 GLY 26 43.053 3.566 4.680 198 HA3 GLY 26 HA3 GLY 26 41.610 4.509 5.020 199 H SER 27 H SER 27 41.945 5.982 6.530 200 HA SER 27 HA SER 27 44.157 6.173 8.174 201 HB2 SER 27 HB2 SER 27 42.024 7.779 7.656 202 HB3 SER 27 HB3 SER 27 41.669 7.288 9.312 203 HG SER 27 HG SER 27 42.964 8.988 9.599 204 H ARG 28 H ARG 28 44.473 5.849 10.423 205 HA ARG 28 HA ARG 28 42.604 4.423 12.031 206 HB2 ARG 28 HB2 ARG 28 43.338 2.585 10.557 207 HB3 ARG 28 HB3 ARG 28 45.005 2.881 11.032 208 HG2 ARG 28 HG2 ARG 28 44.750 1.901 13.061 209 HG3 ARG 28 HG3 ARG 28 43.055 2.372 13.199 210 HD2 ARG 28 HD2 ARG 28 42.749 0.155 12.829 211 HD3 ARG 28 HD3 ARG 28 42.846 0.680 11.149 212 HE ARG 28 HE ARG 28 45.425 0.126 11.820 213 HH11 ARG 28 HH11 ARG 28 42.433 -1.649 11.947 214 HH12 ARG 28 HH12 ARG 28 43.187 -3.191 11.712 215 HH21 ARG 28 HH21 ARG 28 46.429 -1.898 11.510 216 HH22 ARG 28 HH22 ARG 28 45.461 -3.332 11.464 217 H ASP 29 H ASP 29 42.961 5.309 13.946 218 HA ASP 29 HA ASP 29 45.336 5.063 15.389 219 HB2 ASP 29 HB2 ASP 29 45.400 7.225 13.534 220 HB3 ASP 29 HB3 ASP 29 45.303 7.906 15.156 221 H TYR 30 H TYR 30 45.138 5.794 17.519 222 HA TYR 30 HA TYR 30 42.443 6.155 18.407 223 HB2 TYR 30 HB2 TYR 30 44.931 6.446 20.089 224 HB3 TYR 30 HB3 TYR 30 43.314 5.996 20.619 225 HD1 TYR 30 HD2 TYR 30 42.384 3.816 19.314 226 HD2 TYR 30 HD1 TYR 30 46.481 4.751 19.979 227 HE1 TYR 30 HE2 TYR 30 42.961 1.438 19.066 228 HE2 TYR 30 HE1 TYR 30 47.070 2.375 19.732 229 HH TYR 30 HH TYR 30 44.593 -0.104 19.384 230 H ASN 31 H ASN 31 45.354 8.132 19.011 231 HA ASN 31 HA ASN 31 44.266 10.567 18.184 232 HB2 ASN 31 HB2 ASN 31 44.054 11.525 20.611 233 HB3 ASN 31 HB3 ASN 31 42.697 10.664 19.890 234 HD21 ASN 31 HD21 ASN 31 41.954 8.865 20.839 235 HD22 ASN 31 HD22 ASN 31 42.642 8.143 22.250 236 H LYS 32 H LYS 32 46.198 9.273 20.885 237 HA LYS 32 HA LYS 32 48.176 11.350 20.599 238 HB2 LYS 32 HB2 LYS 32 47.399 9.921 22.722 239 HB3 LYS 32 HB3 LYS 32 48.742 8.911 22.203 240 HG2 LYS 32 HG2 LYS 32 50.187 10.951 22.256 241 HG3 LYS 32 HG3 LYS 32 48.832 11.812 22.992 242 HD2 LYS 32 HD2 LYS 32 49.747 11.139 24.932 243 HD3 LYS 32 HD3 LYS 32 48.977 9.594 24.562 244 HE2 LYS 32 HE2 LYS 32 50.971 8.673 23.742 245 HE3 LYS 32 HE3 LYS 32 51.736 10.253 23.580 246 HZ1 LYS 32 HZ1 LYS 32 51.092 10.017 26.243 247 HZ2 LYS 32 HZ2 LYS 32 52.633 9.888 25.559 248 HZ3 LYS 32 HZ3 LYS 32 51.702 8.499 25.814 Start of MODEL 16 1 H1 ARG 1 H ARG 1 4.138 3.297 -6.045 2 HA ARG 1 HA ARG 1 6.351 4.542 -4.844 3 HB2 ARG 1 HB2 ARG 1 3.516 4.456 -3.797 4 HB3 ARG 1 HB3 ARG 1 4.743 5.655 -3.409 5 HG2 ARG 1 HG2 ARG 1 4.701 5.928 -6.070 6 HG3 ARG 1 HG3 ARG 1 3.043 5.385 -5.804 7 HD2 ARG 1 HD2 ARG 1 3.769 7.361 -3.849 8 HD3 ARG 1 HD3 ARG 1 4.080 7.971 -5.474 9 HE ARG 1 HE ARG 1 1.556 6.827 -5.515 10 HH11 ARG 1 HH11 ARG 1 3.173 9.454 -3.902 11 HH12 ARG 1 HH12 ARG 1 1.738 10.411 -3.742 12 HH21 ARG 1 HH21 ARG 1 -0.340 8.077 -5.310 13 HH22 ARG 1 HH22 ARG 1 -0.260 9.626 -4.542 14 H ARG 2 H ARG 2 7.047 2.023 -4.458 15 HA ARG 2 HA ARG 2 7.014 1.768 -1.562 16 HB2 ARG 2 HB2 ARG 2 5.110 0.377 -2.616 17 HB3 ARG 2 HB3 ARG 2 6.394 -0.671 -3.205 18 HG2 ARG 2 HG2 ARG 2 7.149 -1.007 -0.885 19 HG3 ARG 2 HG3 ARG 2 5.797 -0.018 -0.328 20 HD2 ARG 2 HD2 ARG 2 5.666 -2.654 -1.781 21 HD3 ARG 2 HD3 ARG 2 5.184 -2.324 -0.117 22 HE ARG 2 HE ARG 2 3.638 -1.868 -2.480 23 HH11 ARG 2 HH11 ARG 2 4.207 -0.781 0.778 24 HH12 ARG 2 HH12 ARG 2 2.619 -0.115 0.972 25 HH21 ARG 2 HH21 ARG 2 1.545 -0.995 -2.237 26 HH22 ARG 2 HH22 ARG 2 1.106 -0.238 -0.744 27 H SER 3 H SER 3 9.161 2.006 -1.299 28 HA SER 3 HA SER 3 10.901 -0.128 -1.981 29 HB2 SER 3 HB2 SER 3 10.615 1.417 -4.129 30 HB3 SER 3 HB3 SER 3 11.822 2.391 -3.290 31 HG SER 3 HG SER 3 12.187 -0.383 -3.611 32 H ARG 4 H ARG 4 10.571 3.246 -1.017 33 HA ARG 4 HA ARG 4 13.028 3.169 0.524 34 HB2 ARG 4 HB2 ARG 4 12.286 5.510 1.185 35 HB3 ARG 4 HB3 ARG 4 12.630 5.251 -0.520 36 HG2 ARG 4 HG2 ARG 4 9.832 4.835 0.296 37 HG3 ARG 4 HG3 ARG 4 10.432 6.492 0.398 38 HD2 ARG 4 HD2 ARG 4 10.753 6.660 -1.864 39 HD3 ARG 4 HD3 ARG 4 11.007 4.927 -2.065 40 HE ARG 4 HE ARG 4 8.778 4.715 -2.486 41 HH11 ARG 4 HH11 ARG 4 9.296 7.684 -0.744 42 HH12 ARG 4 HH12 ARG 4 7.643 8.192 -0.859 43 HH21 ARG 4 HH21 ARG 4 6.600 5.372 -2.643 44 HH22 ARG 4 HH22 ARG 4 6.111 6.876 -1.939 45 H LYS 5 H LYS 5 11.545 1.208 1.510 46 HA LYS 5 HA LYS 5 11.155 1.965 4.224 47 HB2 LYS 5 HB2 LYS 5 9.012 2.747 3.151 48 HB3 LYS 5 HB3 LYS 5 8.667 1.065 2.766 49 HG2 LYS 5 HG2 LYS 5 9.232 0.994 5.461 50 HG3 LYS 5 HG3 LYS 5 8.349 2.510 5.263 51 HD2 LYS 5 HD2 LYS 5 6.573 1.113 5.525 52 HD3 LYS 5 HD3 LYS 5 6.787 0.940 3.782 53 HE2 LYS 5 HE2 LYS 5 6.538 -1.245 4.719 54 HE3 LYS 5 HE3 LYS 5 8.220 -1.051 4.229 55 HZ1 LYS 5 HZ1 LYS 5 8.766 -1.642 6.279 56 HZ2 LYS 5 HZ2 LYS 5 7.158 -1.594 6.804 57 HZ3 LYS 5 HZ3 LYS 5 8.102 -0.190 6.841 58 H ASN 6 H ASN 6 10.574 -0.418 1.688 59 HA ASN 6 HA ASN 6 10.267 -2.686 3.289 60 HB2 ASN 6 HB2 ASN 6 9.803 -2.657 0.871 61 HB3 ASN 6 HB3 ASN 6 11.525 -2.494 0.542 62 HD21 ASN 6 HD21 ASN 6 9.131 -4.598 2.049 63 HD22 ASN 6 HD22 ASN 6 9.981 -6.073 1.757 64 H GLY 7 H GLY 7 13.129 -0.929 2.323 65 HA2 GLY 7 HA2 GLY 7 14.924 -3.008 3.266 66 HA3 GLY 7 HA3 GLY 7 15.388 -1.447 2.606 67 H ILE 8 H ILE 8 14.237 -3.115 5.480 68 HA ILE 8 HA ILE 8 14.163 -1.000 7.275 69 HB ILE 8 HB ILE 8 15.079 -3.814 7.878 70 HG12 ILE 8 HG12 ILE 8 12.359 -3.255 8.615 71 HG13 ILE 8 HG13 ILE 8 12.586 -2.893 6.907 72 HG21 ILE 8 HG21 ILE 8 15.566 -2.650 9.801 73 HG22 ILE 8 HG22 ILE 8 14.253 -1.497 9.563 74 HG23 ILE 8 HG23 ILE 8 13.899 -3.136 10.110 75 HD11 ILE 8 HD11 ILE 8 11.828 -5.189 7.300 76 HD12 ILE 8 HD12 ILE 8 13.404 -5.129 6.511 77 HD13 ILE 8 HD13 ILE 8 13.292 -5.500 8.231 78 H GLY 9 H GLY 9 16.911 -3.091 6.414 79 HA2 GLY 9 HA2 GLY 9 18.713 -0.937 7.262 80 HA3 GLY 9 HA3 GLY 9 18.928 -2.528 7.977 81 H TYR 10 H TYR 10 17.847 -2.395 4.713 82 HA TYR 10 HA TYR 10 20.188 -3.770 3.807 83 HB2 TYR 10 HB2 TYR 10 17.733 -2.736 2.390 84 HB3 TYR 10 HB3 TYR 10 19.041 -3.557 1.546 85 HD1 TYR 10 HD1 TYR 10 16.659 -4.020 4.377 86 HD2 TYR 10 HD2 TYR 10 19.009 -5.873 1.354 87 HE1 TYR 10 HE1 TYR 10 15.641 -6.191 4.925 88 HE2 TYR 10 HE2 TYR 10 17.997 -8.049 1.893 89 HH TYR 10 HH TYR 10 15.448 -8.630 3.159 90 H ALA 11 H ALA 11 18.706 -0.661 2.875 91 HA ALA 11 HA ALA 11 20.966 0.172 1.353 92 HB1 ALA 11 HB1 ALA 11 18.503 1.574 2.341 93 HB2 ALA 11 HB2 ALA 11 19.782 2.435 1.483 94 HB3 ALA 11 HB3 ALA 11 18.926 1.110 0.692 95 H ILE 12 H ILE 12 19.715 1.075 4.558 96 HA ILE 12 HA ILE 12 21.687 2.965 5.184 97 HB ILE 12 HB ILE 12 20.300 1.186 7.185 98 HG12 ILE 12 HG12 ILE 12 18.941 3.637 6.986 99 HG13 ILE 12 HG13 ILE 12 19.180 3.096 5.329 100 HG21 ILE 12 HG21 ILE 12 20.523 3.157 8.647 101 HG22 ILE 12 HG22 ILE 12 22.082 2.529 8.117 102 HG23 ILE 12 HG23 ILE 12 21.416 3.980 7.369 103 HD11 ILE 12 HD11 ILE 12 17.750 1.676 7.551 104 HD12 ILE 12 HD12 ILE 12 17.095 2.252 6.018 105 HD13 ILE 12 HD13 ILE 12 18.209 0.885 6.043 106 H GLY 13 H GLY 13 21.508 -0.506 5.962 107 HA2 GLY 13 HA2 GLY 13 23.959 -0.631 7.353 108 HA3 GLY 13 HA3 GLY 13 23.125 -1.995 6.623 109 H TYR 14 H TYR 14 23.212 -0.702 3.949 110 HA TYR 14 HA TYR 14 25.479 -1.934 2.930 111 HB2 TYR 14 HB2 TYR 14 23.385 -1.082 1.698 112 HB3 TYR 14 HB3 TYR 14 24.220 0.465 1.616 113 HD1 TYR 14 HD2 TYR 14 26.309 0.676 0.310 114 HD2 TYR 14 HD1 TYR 14 24.032 -2.918 0.306 115 HE1 TYR 14 HE2 TYR 14 27.504 -0.072 -1.706 116 HE2 TYR 14 HE1 TYR 14 25.221 -3.676 -1.709 117 HH TYR 14 HH TYR 14 26.467 -2.545 -3.647 118 H ALA 15 H ALA 15 24.962 1.536 3.548 119 HA ALA 15 HA ALA 15 27.634 2.268 2.892 120 HB1 ALA 15 HB1 ALA 15 26.047 3.972 2.654 121 HB2 ALA 15 HB2 ALA 15 25.378 3.695 4.263 122 HB3 ALA 15 HB3 ALA 15 26.973 4.427 4.085 123 H PHE 16 H PHE 16 25.923 1.704 5.945 124 HA PHE 16 HA PHE 16 27.866 2.481 7.744 125 HB2 PHE 16 HB2 PHE 16 25.515 0.769 7.791 126 HB3 PHE 16 HB3 PHE 16 26.766 0.195 8.890 127 HD1 PHE 16 HD2 PHE 16 27.948 2.365 10.134 128 HD2 PHE 16 HD1 PHE 16 23.916 2.038 8.811 129 HE1 PHE 16 HE2 PHE 16 27.273 4.057 11.787 130 HE2 PHE 16 HE1 PHE 16 23.234 3.730 10.462 131 HZ PHE 16 HZ PHE 16 24.913 4.742 11.953 132 H GLY 17 H GLY 17 27.433 -0.747 6.296 133 HA2 GLY 17 HA2 GLY 17 29.589 -2.013 7.530 134 HA3 GLY 17 HA3 GLY 17 28.918 -2.465 5.969 135 H ALA 18 H ALA 18 29.523 0.089 4.718 136 HA ALA 18 HA ALA 18 32.208 -0.491 3.912 137 HB1 ALA 18 HB1 ALA 18 30.749 2.008 3.146 138 HB2 ALA 18 HB2 ALA 18 31.893 1.049 2.206 139 HB3 ALA 18 HB3 ALA 18 30.262 0.443 2.493 140 H VAL 19 H VAL 19 30.643 2.114 5.734 141 HA VAL 19 HA VAL 19 32.781 3.847 6.026 142 HB VAL 19 HB VAL 19 30.606 3.209 8.023 143 HG11 VAL 19 HG11 VAL 19 32.576 5.488 7.936 144 HG12 VAL 19 HG12 VAL 19 31.132 5.461 8.950 145 HG13 VAL 19 HG13 VAL 19 32.407 4.268 9.198 146 HG21 VAL 19 HG21 VAL 19 29.250 4.408 6.736 147 HG22 VAL 19 HG22 VAL 19 30.388 5.755 6.722 148 HG23 VAL 19 HG23 VAL 19 30.522 4.476 5.516 149 H GLU 20 H GLU 20 32.189 0.783 7.566 150 HA GLU 20 HA GLU 20 34.102 1.134 9.669 151 HB2 GLU 20 HB2 GLU 20 33.211 -1.552 8.682 152 HB3 GLU 20 HB3 GLU 20 33.585 -1.042 10.322 153 HG2 GLU 20 HG2 GLU 20 31.484 0.544 9.838 154 HG3 GLU 20 HG3 GLU 20 31.079 -0.812 8.787 155 H ARG 21 H ARG 21 34.087 -0.579 6.560 156 HA ARG 21 HA ARG 21 36.633 -1.710 6.723 157 HB2 ARG 21 HB2 ARG 21 34.711 -1.094 4.570 158 HB3 ARG 21 HB3 ARG 21 36.387 -1.242 4.058 159 HG2 ARG 21 HG2 ARG 21 35.486 -3.374 5.848 160 HG3 ARG 21 HG3 ARG 21 34.635 -3.305 4.304 161 HD2 ARG 21 HD2 ARG 21 37.039 -3.081 3.314 162 HD3 ARG 21 HD3 ARG 21 37.533 -3.778 4.857 163 HE ARG 21 HE ARG 21 35.517 -5.396 3.884 164 HH11 ARG 21 HH11 ARG 21 38.690 -4.382 2.875 165 HH12 ARG 21 HH12 ARG 21 39.021 -5.841 2.001 166 HH21 ARG 21 HH21 ARG 21 35.940 -7.322 2.738 167 HH22 ARG 21 HH22 ARG 21 37.456 -7.512 1.923 168 H ALA 22 H ALA 22 35.619 1.535 5.951 169 HA ALA 22 HA ALA 22 37.945 2.468 4.692 170 HB1 ALA 22 HB1 ALA 22 35.756 3.808 6.235 171 HB2 ALA 22 HB2 ALA 22 37.148 4.726 5.658 172 HB3 ALA 22 HB3 ALA 22 36.112 3.881 4.508 173 H VAL 23 H VAL 23 37.004 2.527 8.123 174 HA VAL 23 HA VAL 23 39.540 3.631 8.933 175 HB VAL 23 HB VAL 23 37.576 2.367 10.818 176 HG11 VAL 23 HG11 VAL 23 38.372 4.518 12.090 177 HG12 VAL 23 HG12 VAL 23 39.389 3.077 12.037 178 HG13 VAL 23 HG13 VAL 23 39.721 4.432 10.958 179 HG21 VAL 23 HG21 VAL 23 37.271 4.911 9.275 180 HG22 VAL 23 HG22 VAL 23 36.070 3.671 9.635 181 HG23 VAL 23 HG23 VAL 23 36.606 4.774 10.902 182 H LEU 24 H LEU 24 38.154 0.482 8.550 183 HA LEU 24 HA LEU 24 39.772 -0.996 10.297 184 HB2 LEU 24 HB2 LEU 24 37.728 -1.576 8.616 185 HB3 LEU 24 HB3 LEU 24 39.087 -2.272 7.736 186 HG LEU 24 HG LEU 24 39.388 -3.186 10.353 187 HD11 LEU 24 HD11 LEU 24 37.178 -2.549 10.978 188 HD12 LEU 24 HD12 LEU 24 37.180 -4.295 10.731 189 HD13 LEU 24 HD13 LEU 24 36.501 -3.231 9.499 190 HD21 LEU 24 HD21 LEU 24 38.004 -4.788 8.244 191 HD22 LEU 24 HD22 LEU 24 39.260 -5.277 9.382 192 HD23 LEU 24 HD23 LEU 24 39.669 -4.257 8.002 193 H GLY 25 H GLY 25 40.338 0.206 7.046 194 HA2 GLY 25 HA2 GLY 25 42.708 -1.306 6.570 195 HA3 GLY 25 HA3 GLY 25 42.187 0.115 5.677 196 H GLY 26 H GLY 26 42.051 1.663 8.252 197 HA2 GLY 26 HA2 GLY 26 44.725 2.680 8.143 198 HA3 GLY 26 HA3 GLY 26 43.441 3.237 9.206 199 H SER 27 H SER 27 44.405 3.283 11.154 200 HA SER 27 HA SER 27 44.828 0.894 12.576 201 HB2 SER 27 HB2 SER 27 47.376 1.456 12.972 202 HB3 SER 27 HB3 SER 27 46.881 0.469 11.597 203 HG SER 27 HG SER 27 48.356 2.223 11.096 204 H ARG 28 H ARG 28 43.629 1.847 14.167 205 HA ARG 28 HA ARG 28 43.167 3.105 16.005 206 HB2 ARG 28 HB2 ARG 28 46.098 3.828 15.991 207 HB3 ARG 28 HB3 ARG 28 45.002 3.844 17.366 208 HG2 ARG 28 HG2 ARG 28 44.766 1.369 17.099 209 HG3 ARG 28 HG3 ARG 28 46.046 1.443 15.886 210 HD2 ARG 28 HD2 ARG 28 46.307 2.387 18.738 211 HD3 ARG 28 HD3 ARG 28 46.867 0.827 18.138 212 HE ARG 28 HE ARG 28 48.188 3.332 17.867 213 HH11 ARG 28 HH11 ARG 28 47.629 0.294 16.262 214 HH12 ARG 28 HH12 ARG 28 49.104 0.352 15.355 215 HH21 ARG 28 HH21 ARG 28 50.133 3.421 16.679 216 HH22 ARG 28 HH22 ARG 28 50.528 2.131 15.594 217 H ASP 29 H ASP 29 42.379 4.357 13.828 218 HA ASP 29 HA ASP 29 43.475 6.807 13.137 219 HB2 ASP 29 HB2 ASP 29 41.531 5.604 12.032 220 HB3 ASP 29 HB3 ASP 29 40.508 6.277 13.298 221 H TYR 30 H TYR 30 40.648 6.425 15.279 222 HA TYR 30 HA TYR 30 39.825 7.767 16.929 223 HB2 TYR 30 HB2 TYR 30 42.776 7.942 17.568 224 HB3 TYR 30 HB3 TYR 30 41.481 8.413 18.663 225 HD1 TYR 30 HD2 TYR 30 39.570 6.388 18.716 226 HD2 TYR 30 HD1 TYR 30 43.763 5.947 18.142 227 HE1 TYR 30 HE2 TYR 30 39.437 4.080 19.556 228 HE2 TYR 30 HE1 TYR 30 43.641 3.638 18.979 229 HH TYR 30 HH TYR 30 40.824 1.933 19.264 230 H ASN 31 H ASN 31 39.281 9.292 15.122 231 HA ASN 31 HA ASN 31 39.766 11.933 15.885 232 HB2 ASN 31 HB2 ASN 31 41.924 10.914 14.446 233 HB3 ASN 31 HB3 ASN 31 41.012 11.842 13.259 234 HD21 ASN 31 HD21 ASN 31 41.444 13.919 13.142 235 HD22 ASN 31 HD22 ASN 31 42.183 14.875 14.377 236 H LYS 32 H LYS 32 39.475 10.232 12.760 237 HA LYS 32 HA LYS 32 37.951 10.403 11.077 238 HB2 LYS 32 HB2 LYS 32 36.455 10.271 13.578 239 HB3 LYS 32 HB3 LYS 32 35.551 11.065 12.296 240 HG2 LYS 32 HG2 LYS 32 35.931 9.115 10.847 241 HG3 LYS 32 HG3 LYS 32 36.776 8.316 12.175 242 HD2 LYS 32 HD2 LYS 32 34.809 8.190 13.478 243 HD3 LYS 32 HD3 LYS 32 33.952 9.323 12.430 244 HE2 LYS 32 HE2 LYS 32 34.606 7.382 10.658 245 HE3 LYS 32 HE3 LYS 32 34.413 6.430 12.129 246 HZ1 LYS 32 HZ1 LYS 32 32.415 8.059 10.705 247 HZ2 LYS 32 HZ2 LYS 32 32.226 7.745 12.356 248 HZ3 LYS 32 HZ3 LYS 32 32.295 6.463 11.254 Start of MODEL 17 1 H1 ARG 1 H ARG 1 7.609 1.777 -4.678 2 HA ARG 1 HA ARG 1 9.477 3.266 -5.106 3 HB2 ARG 1 HB2 ARG 1 7.450 5.283 -4.161 4 HB3 ARG 1 HB3 ARG 1 9.171 5.644 -4.200 5 HG2 ARG 1 HG2 ARG 1 9.048 6.142 -6.350 6 HG3 ARG 1 HG3 ARG 1 8.400 4.541 -6.714 7 HD2 ARG 1 HD2 ARG 1 6.198 5.683 -5.709 8 HD3 ARG 1 HD3 ARG 1 7.004 7.123 -6.332 9 HE ARG 1 HE ARG 1 7.098 5.271 -8.367 10 HH11 ARG 1 HH11 ARG 1 4.622 6.857 -6.504 11 HH12 ARG 1 HH12 ARG 1 3.451 6.815 -7.781 12 HH21 ARG 1 HH21 ARG 1 5.566 5.209 -10.056 13 HH22 ARG 1 HH22 ARG 1 3.989 5.876 -9.800 14 H ARG 2 H ARG 2 10.423 1.896 -3.602 15 HA ARG 2 HA ARG 2 9.862 1.833 -0.859 16 HB2 ARG 2 HB2 ARG 2 12.106 0.776 -0.639 17 HB3 ARG 2 HB3 ARG 2 11.105 0.046 -1.887 18 HG2 ARG 2 HG2 ARG 2 12.556 2.041 -3.189 19 HG3 ARG 2 HG3 ARG 2 13.701 1.259 -2.098 20 HD2 ARG 2 HD2 ARG 2 11.987 -0.058 -4.197 21 HD3 ARG 2 HD3 ARG 2 13.742 0.117 -4.209 22 HE ARG 2 HE ARG 2 12.891 -1.295 -1.905 23 HH11 ARG 2 HH11 ARG 2 13.349 -1.652 -5.338 24 HH12 ARG 2 HH12 ARG 2 13.625 -3.361 -5.256 25 HH21 ARG 2 HH21 ARG 2 13.252 -3.544 -1.784 26 HH22 ARG 2 HH22 ARG 2 13.568 -4.436 -3.233 27 H SER 3 H SER 3 10.370 3.136 0.782 28 HA SER 3 HA SER 3 12.712 4.772 0.818 29 HB2 SER 3 HB2 SER 3 11.431 6.949 0.992 30 HB3 SER 3 HB3 SER 3 11.485 6.237 -0.620 31 HG SER 3 HG SER 3 9.390 6.587 -0.437 32 H ARG 4 H ARG 4 13.262 4.236 2.839 33 HA ARG 4 HA ARG 4 13.201 3.995 5.101 34 HB2 ARG 4 HB2 ARG 4 12.188 6.490 4.529 35 HB3 ARG 4 HB3 ARG 4 10.942 5.802 5.562 36 HG2 ARG 4 HG2 ARG 4 13.863 5.901 6.281 37 HG3 ARG 4 HG3 ARG 4 12.674 7.111 6.770 38 HD2 ARG 4 HD2 ARG 4 12.366 4.180 7.372 39 HD3 ARG 4 HD3 ARG 4 13.195 5.295 8.457 40 HE ARG 4 HE ARG 4 10.674 6.350 7.845 41 HH11 ARG 4 HH11 ARG 4 12.099 3.687 9.576 42 HH12 ARG 4 HH12 ARG 4 10.800 3.563 10.716 43 HH21 ARG 4 HH21 ARG 4 8.957 6.197 9.339 44 HH22 ARG 4 HH22 ARG 4 9.013 4.991 10.579 45 H LYS 5 H LYS 5 11.534 2.255 3.500 46 HA LYS 5 HA LYS 5 9.970 1.114 5.607 47 HB2 LYS 5 HB2 LYS 5 8.586 2.999 4.304 48 HB3 LYS 5 HB3 LYS 5 8.303 1.655 3.205 49 HG2 LYS 5 HG2 LYS 5 6.496 1.746 4.753 50 HG3 LYS 5 HG3 LYS 5 7.475 0.330 5.141 51 HD2 LYS 5 HD2 LYS 5 8.308 1.274 7.079 52 HD3 LYS 5 HD3 LYS 5 8.017 2.923 6.523 53 HE2 LYS 5 HE2 LYS 5 5.570 1.367 6.738 54 HE3 LYS 5 HE3 LYS 5 6.437 1.476 8.270 55 HZ1 LYS 5 HZ1 LYS 5 4.903 3.453 6.954 56 HZ2 LYS 5 HZ2 LYS 5 6.486 4.010 7.163 57 HZ3 LYS 5 HZ3 LYS 5 5.588 3.493 8.501 58 H ASN 6 H ASN 6 12.162 0.355 3.885 59 HA ASN 6 HA ASN 6 11.435 -2.275 3.288 60 HB2 ASN 6 HB2 ASN 6 10.720 -0.416 1.237 61 HB3 ASN 6 HB3 ASN 6 12.025 -1.435 0.638 62 HD21 ASN 6 HD21 ASN 6 9.121 -1.271 -0.001 63 HD22 ASN 6 HD22 ASN 6 8.537 -2.888 0.174 64 H GLY 7 H GLY 7 13.552 0.441 2.594 65 HA2 GLY 7 HA2 GLY 7 15.816 -1.443 2.375 66 HA3 GLY 7 HA3 GLY 7 15.785 0.158 1.653 67 H ILE 8 H ILE 8 14.659 -0.536 4.901 68 HA ILE 8 HA ILE 8 16.114 1.533 6.085 69 HB ILE 8 HB ILE 8 15.031 -0.957 7.408 70 HG12 ILE 8 HG12 ILE 8 13.739 1.763 7.331 71 HG13 ILE 8 HG13 ILE 8 13.445 0.570 6.071 72 HG21 ILE 8 HG21 ILE 8 14.905 0.998 9.278 73 HG22 ILE 8 HG22 ILE 8 16.219 -0.170 9.146 74 HG23 ILE 8 HG23 ILE 8 16.391 1.435 8.435 75 HD11 ILE 8 HD11 ILE 8 12.366 -0.882 7.541 76 HD12 ILE 8 HD12 ILE 8 13.014 -0.066 8.965 77 HD13 ILE 8 HD13 ILE 8 11.775 0.719 7.985 78 H GLY 9 H GLY 9 16.638 -1.908 6.849 79 HA2 GLY 9 HA2 GLY 9 19.266 -1.465 7.817 80 HA3 GLY 9 HA3 GLY 9 18.547 -3.030 7.464 81 H TYR 10 H TYR 10 18.029 -1.956 4.644 82 HA TYR 10 HA TYR 10 20.268 -3.138 3.421 83 HB2 TYR 10 HB2 TYR 10 17.993 -1.461 2.401 84 HB3 TYR 10 HB3 TYR 10 19.299 -1.949 1.327 85 HD1 TYR 10 HD1 TYR 10 16.602 -3.226 3.519 86 HD2 TYR 10 HD2 TYR 10 19.393 -4.142 0.441 87 HE1 TYR 10 HE1 TYR 10 15.488 -5.390 3.161 88 HE2 TYR 10 HE2 TYR 10 18.286 -6.308 0.073 89 HH TYR 10 HH TYR 10 16.440 -7.532 0.528 90 H ALA 11 H ALA 11 19.293 0.285 3.605 91 HA ALA 11 HA ALA 11 21.681 1.248 2.390 92 HB1 ALA 11 HB1 ALA 11 20.022 2.977 4.163 93 HB2 ALA 11 HB2 ALA 11 20.791 3.352 2.620 94 HB3 ALA 11 HB3 ALA 11 19.329 2.366 2.661 95 H ILE 12 H ILE 12 20.501 1.484 5.752 96 HA ILE 12 HA ILE 12 22.757 2.588 6.898 97 HB ILE 12 HB ILE 12 20.888 0.570 8.145 98 HG12 ILE 12 HG12 ILE 12 20.697 3.447 8.794 99 HG13 ILE 12 HG13 ILE 12 20.217 3.007 7.158 100 HG21 ILE 12 HG21 ILE 12 21.688 2.043 10.214 101 HG22 ILE 12 HG22 ILE 12 22.539 0.586 9.702 102 HG23 ILE 12 HG23 ILE 12 23.136 2.172 9.215 103 HD11 ILE 12 HD11 ILE 12 18.703 2.835 9.509 104 HD12 ILE 12 HD12 ILE 12 18.266 2.280 7.892 105 HD13 ILE 12 HD13 ILE 12 19.055 1.177 9.019 106 H GLY 13 H GLY 13 21.987 -0.867 6.507 107 HA2 GLY 13 HA2 GLY 13 24.328 -1.861 7.708 108 HA3 GLY 13 HA3 GLY 13 23.324 -2.731 6.558 109 H TYR 14 H TYR 14 23.697 -0.726 4.454 110 HA TYR 14 HA TYR 14 25.873 -1.854 3.127 111 HB2 TYR 14 HB2 TYR 14 23.909 -0.522 2.157 112 HB3 TYR 14 HB3 TYR 14 24.840 0.918 2.552 113 HD1 TYR 14 HD2 TYR 14 27.025 1.317 1.432 114 HD2 TYR 14 HD1 TYR 14 24.456 -1.869 0.270 115 HE1 TYR 14 HE2 TYR 14 28.248 1.113 -0.692 116 HE2 TYR 14 HE1 TYR 14 25.673 -2.084 -1.856 117 HH TYR 14 HH TYR 14 27.120 -0.928 -3.274 118 H ALA 15 H ALA 15 25.633 1.333 4.701 119 HA ALA 15 HA ALA 15 28.350 2.022 4.280 120 HB1 ALA 15 HB1 ALA 15 27.850 3.714 6.141 121 HB2 ALA 15 HB2 ALA 15 26.920 3.830 4.646 122 HB3 ALA 15 HB3 ALA 15 26.200 3.091 6.077 123 H PHE 16 H PHE 16 26.615 0.564 6.997 124 HA PHE 16 HA PHE 16 28.615 0.603 8.914 125 HB2 PHE 16 HB2 PHE 16 26.163 -0.923 8.443 126 HB3 PHE 16 HB3 PHE 16 27.377 -1.828 9.341 127 HD1 PHE 16 HD2 PHE 16 28.619 -0.115 11.139 128 HD2 PHE 16 HD1 PHE 16 24.587 0.039 9.785 129 HE1 PHE 16 HE2 PHE 16 27.976 1.067 13.199 130 HE2 PHE 16 HE1 PHE 16 23.937 1.222 11.842 131 HZ PHE 16 HZ PHE 16 25.632 1.737 13.553 132 H GLY 17 H GLY 17 27.979 -1.865 6.433 133 HA2 GLY 17 HA2 GLY 17 30.017 -3.646 7.150 134 HA3 GLY 17 HA3 GLY 17 29.324 -3.497 5.542 135 H ALA 18 H ALA 18 30.124 -0.708 5.235 136 HA ALA 18 HA ALA 18 32.757 -1.171 4.209 137 HB1 ALA 18 HB1 ALA 18 31.393 1.500 4.396 138 HB2 ALA 18 HB2 ALA 18 32.601 0.963 3.228 139 HB3 ALA 18 HB3 ALA 18 30.967 0.302 3.175 140 H VAL 19 H VAL 19 31.397 0.745 6.862 141 HA VAL 19 HA VAL 19 33.663 2.106 7.682 142 HB VAL 19 HB VAL 19 31.443 0.975 9.389 143 HG11 VAL 19 HG11 VAL 19 33.858 2.502 10.070 144 HG12 VAL 19 HG12 VAL 19 32.354 3.145 10.733 145 HG13 VAL 19 HG13 VAL 19 32.833 1.483 11.082 146 HG21 VAL 19 HG21 VAL 19 31.696 3.857 8.722 147 HG22 VAL 19 HG22 VAL 19 31.124 2.767 7.459 148 HG23 VAL 19 HG23 VAL 19 30.253 2.879 8.988 149 H GLU 20 H GLU 20 32.819 -1.248 8.099 150 HA GLU 20 HA GLU 20 34.766 -1.787 10.130 151 HB2 GLU 20 HB2 GLU 20 33.642 -3.897 8.322 152 HB3 GLU 20 HB3 GLU 20 34.067 -4.008 10.024 153 HG2 GLU 20 HG2 GLU 20 32.103 -2.174 10.148 154 HG3 GLU 20 HG3 GLU 20 31.577 -3.105 8.746 155 H ARG 21 H ARG 21 34.602 -2.247 6.621 156 HA ARG 21 HA ARG 21 37.005 -3.616 6.269 157 HB2 ARG 21 HB2 ARG 21 35.181 -2.044 4.572 158 HB3 ARG 21 HB3 ARG 21 36.840 -2.120 3.994 159 HG2 ARG 21 HG2 ARG 21 36.625 -4.237 3.339 160 HG3 ARG 21 HG3 ARG 21 35.820 -4.709 4.836 161 HD2 ARG 21 HD2 ARG 21 34.342 -5.045 2.941 162 HD3 ARG 21 HD3 ARG 21 33.718 -3.771 3.987 163 HE ARG 21 HE ARG 21 35.199 -2.470 2.083 164 HH11 ARG 21 HH11 ARG 21 32.486 -4.652 2.075 165 HH12 ARG 21 HH12 ARG 21 31.800 -4.000 0.624 166 HH21 ARG 21 HH21 ARG 21 34.305 -1.604 0.171 167 HH22 ARG 21 HH22 ARG 21 32.836 -2.268 -0.459 168 H ALA 22 H ALA 22 36.382 -0.259 6.899 169 HA ALA 22 HA ALA 22 38.809 0.841 5.995 170 HB1 ALA 22 HB1 ALA 22 36.843 1.724 8.091 171 HB2 ALA 22 HB2 ALA 22 38.279 2.663 7.679 172 HB3 ALA 22 HB3 ALA 22 37.053 2.343 6.452 173 H VAL 23 H VAL 23 37.835 -0.274 9.235 174 HA VAL 23 HA VAL 23 40.496 0.101 10.286 175 HB VAL 23 HB VAL 23 38.340 -1.458 11.675 176 HG11 VAL 23 HG11 VAL 23 39.937 -1.462 13.231 177 HG12 VAL 23 HG12 VAL 23 40.890 -0.254 12.367 178 HG13 VAL 23 HG13 VAL 23 39.591 0.254 13.447 179 HG21 VAL 23 HG21 VAL 23 37.158 0.467 10.935 180 HG22 VAL 23 HG22 VAL 23 37.578 0.744 12.625 181 HG23 VAL 23 HG23 VAL 23 38.503 1.531 11.346 182 H LEU 24 H LEU 24 38.662 -2.466 8.861 183 HA LEU 24 HA LEU 24 39.865 -4.731 9.879 184 HB2 LEU 24 HB2 LEU 24 38.073 -4.208 7.897 185 HB3 LEU 24 HB3 LEU 24 39.462 -4.778 6.973 186 HG LEU 24 HG LEU 24 38.032 -6.640 7.350 187 HD11 LEU 24 HD11 LEU 24 40.161 -6.957 9.439 188 HD12 LEU 24 HD12 LEU 24 40.549 -6.865 7.722 189 HD13 LEU 24 HD13 LEU 24 39.516 -8.161 8.324 190 HD21 LEU 24 HD21 LEU 24 37.425 -7.354 9.652 191 HD22 LEU 24 HD22 LEU 24 36.693 -5.824 9.168 192 HD23 LEU 24 HD23 LEU 24 38.083 -5.833 10.255 193 H GLY 25 H GLY 25 40.964 -2.685 7.189 194 HA2 GLY 25 HA2 GLY 25 43.701 -3.523 7.699 195 HA3 GLY 25 HA3 GLY 25 43.055 -3.969 6.127 196 H GLY 26 H GLY 26 43.192 -1.088 8.235 197 HA2 GLY 26 HA2 GLY 26 44.245 0.427 5.954 198 HA3 GLY 26 HA3 GLY 26 42.778 1.006 6.730 199 H SER 27 H SER 27 43.239 2.722 7.927 200 HA SER 27 HA SER 27 44.958 2.574 10.165 201 HB2 SER 27 HB2 SER 27 46.814 3.848 9.547 202 HB3 SER 27 HB3 SER 27 46.552 2.848 8.118 203 HG SER 27 HG SER 27 46.809 5.320 7.984 204 H ARG 28 H ARG 28 44.914 4.497 11.456 205 HA ARG 28 HA ARG 28 43.908 6.315 12.380 206 HB2 ARG 28 HB2 ARG 28 44.693 7.217 10.045 207 HB3 ARG 28 HB3 ARG 28 42.971 7.225 9.687 208 HG2 ARG 28 HG2 ARG 28 42.517 8.834 11.312 209 HG3 ARG 28 HG3 ARG 28 44.054 8.564 12.137 210 HD2 ARG 28 HD2 ARG 28 44.438 10.553 11.023 211 HD3 ARG 28 HD3 ARG 28 45.102 9.363 9.904 212 HE ARG 28 HE ARG 28 42.418 9.806 9.243 213 HH11 ARG 28 HH11 ARG 28 45.472 11.477 9.227 214 HH12 ARG 28 HH12 ARG 28 45.056 12.494 7.888 215 HH21 ARG 28 HH21 ARG 28 41.859 11.140 7.479 216 HH22 ARG 28 HH22 ARG 28 43.001 12.302 6.895 217 H ASP 29 H ASP 29 42.310 5.068 13.401 218 HA ASP 29 HA ASP 29 39.922 4.198 12.225 219 HB2 ASP 29 HB2 ASP 29 40.183 5.027 15.113 220 HB3 ASP 29 HB3 ASP 29 39.137 3.785 14.429 221 H TYR 30 H TYR 30 37.827 5.148 13.699 222 HA TYR 30 HA TYR 30 37.586 7.928 13.897 223 HB2 TYR 30 HB2 TYR 30 37.743 7.197 11.248 224 HB3 TYR 30 HB3 TYR 30 36.006 7.266 11.518 225 HD1 TYR 30 HD1 TYR 30 38.926 9.323 12.641 226 HD2 TYR 30 HD2 TYR 30 35.094 9.250 10.793 227 HE1 TYR 30 HE1 TYR 30 38.996 11.771 12.414 228 HE2 TYR 30 HE2 TYR 30 35.154 11.697 10.560 229 HH TYR 30 HH TYR 30 36.899 13.494 10.441 230 H ASN 31 H ASN 31 36.069 8.028 15.402 231 HA ASN 31 HA ASN 31 34.262 6.026 16.053 232 HB2 ASN 31 HB2 ASN 31 34.648 8.852 16.779 233 HB3 ASN 31 HB3 ASN 31 32.996 8.272 16.971 234 HD21 ASN 31 HD21 ASN 31 33.281 8.586 19.231 235 HD22 ASN 31 HD22 ASN 31 34.119 7.409 20.179 236 H LYS 32 H LYS 32 33.630 9.034 14.250 237 HA LYS 32 HA LYS 32 31.798 7.765 12.485 238 HB2 LYS 32 HB2 LYS 32 30.594 8.219 14.824 239 HB3 LYS 32 HB3 LYS 32 30.395 9.819 14.122 240 HG2 LYS 32 HG2 LYS 32 28.449 8.740 13.509 241 HG3 LYS 32 HG3 LYS 32 29.461 8.556 12.075 242 HD2 LYS 32 HD2 LYS 32 30.132 6.345 13.537 243 HD3 LYS 32 HD3 LYS 32 28.419 6.534 13.919 244 HE2 LYS 32 HE2 LYS 32 27.975 6.685 11.462 245 HE3 LYS 32 HE3 LYS 32 29.668 6.276 11.188 246 HZ1 LYS 32 HZ1 LYS 32 27.799 4.447 11.256 247 HZ2 LYS 32 HZ2 LYS 32 28.105 4.512 12.918 248 HZ3 LYS 32 HZ3 LYS 32 29.356 4.138 11.842 Start of MODEL 18 1 H1 ARG 1 H ARG 1 1.825 3.412 0.294 2 HA ARG 1 HA ARG 1 2.873 1.960 2.600 3 HB2 ARG 1 HB2 ARG 1 3.486 0.031 1.102 4 HB3 ARG 1 HB3 ARG 1 1.768 0.193 1.444 5 HG2 ARG 1 HG2 ARG 1 1.270 0.421 -0.708 6 HG3 ARG 1 HG3 ARG 1 2.528 1.635 -0.947 7 HD2 ARG 1 HD2 ARG 1 3.133 -1.303 -0.752 8 HD3 ARG 1 HD3 ARG 1 2.735 -0.521 -2.281 9 HE ARG 1 HE ARG 1 5.200 -0.306 -0.808 10 HH11 ARG 1 HH11 ARG 1 3.131 1.167 -3.189 11 HH12 ARG 1 HH12 ARG 1 4.410 2.068 -3.933 12 HH21 ARG 1 HH21 ARG 1 6.892 0.874 -1.779 13 HH22 ARG 1 HH22 ARG 1 6.549 1.900 -3.131 14 H ARG 2 H ARG 2 5.094 1.888 2.701 15 HA ARG 2 HA ARG 2 6.669 2.812 0.439 16 HB2 ARG 2 HB2 ARG 2 5.857 4.791 1.942 17 HB3 ARG 2 HB3 ARG 2 7.090 4.213 3.055 18 HG2 ARG 2 HG2 ARG 2 8.800 4.906 1.743 19 HG3 ARG 2 HG3 ARG 2 7.914 4.614 0.245 20 HD2 ARG 2 HD2 ARG 2 7.802 6.865 0.185 21 HD3 ARG 2 HD3 ARG 2 6.446 6.620 1.284 22 HE ARG 2 HE ARG 2 7.692 7.536 2.978 23 HH11 ARG 2 HH11 ARG 2 9.772 6.782 0.290 24 HH12 ARG 2 HH12 ARG 2 11.148 7.597 0.958 25 HH21 ARG 2 HH21 ARG 2 9.496 8.611 3.868 26 HH22 ARG 2 HH22 ARG 2 10.990 8.636 2.994 27 H SER 3 H SER 3 7.619 0.770 0.458 28 HA SER 3 HA SER 3 9.846 0.479 2.221 29 HB2 SER 3 HB2 SER 3 9.191 -1.203 3.614 30 HB3 SER 3 HB3 SER 3 7.596 -0.503 3.339 31 HG SER 3 HG SER 3 8.725 -2.842 2.289 32 H ARG 4 H ARG 4 7.703 -1.029 -0.142 33 HA ARG 4 HA ARG 4 9.812 -2.748 -1.139 34 HB2 ARG 4 HB2 ARG 4 7.188 -3.149 -1.030 35 HB3 ARG 4 HB3 ARG 4 7.247 -2.381 -2.611 36 HG2 ARG 4 HG2 ARG 4 7.533 -4.494 -3.317 37 HG3 ARG 4 HG3 ARG 4 9.220 -4.177 -2.905 38 HD2 ARG 4 HD2 ARG 4 8.836 -6.186 -1.835 39 HD3 ARG 4 HD3 ARG 4 8.526 -5.022 -0.547 40 HE ARG 4 HE ARG 4 6.087 -5.419 -1.695 41 HH11 ARG 4 HH11 ARG 4 8.509 -7.499 -0.308 42 HH12 ARG 4 HH12 ARG 4 7.368 -8.686 0.233 43 HH21 ARG 4 HH21 ARG 4 4.574 -6.973 -0.988 44 HH22 ARG 4 HH22 ARG 4 5.130 -8.385 -0.156 45 H LYS 5 H LYS 5 10.813 -0.321 -1.377 46 HA LYS 5 HA LYS 5 11.403 -0.039 -4.093 47 HB2 LYS 5 HB2 LYS 5 8.929 1.019 -3.608 48 HB3 LYS 5 HB3 LYS 5 9.959 2.429 -3.396 49 HG2 LYS 5 HG2 LYS 5 10.674 0.934 -5.766 50 HG3 LYS 5 HG3 LYS 5 8.980 1.430 -5.784 51 HD2 LYS 5 HD2 LYS 5 9.515 3.573 -6.124 52 HD3 LYS 5 HD3 LYS 5 10.745 3.546 -4.858 53 HE2 LYS 5 HE2 LYS 5 12.407 2.817 -6.328 54 HE3 LYS 5 HE3 LYS 5 11.236 2.267 -7.526 55 HZ1 LYS 5 HZ1 LYS 5 11.525 5.124 -6.810 56 HZ2 LYS 5 HZ2 LYS 5 10.775 4.456 -8.170 57 HZ3 LYS 5 HZ3 LYS 5 12.459 4.405 -8.024 58 H ASN 6 H ASN 6 12.783 -0.127 -1.636 59 HA ASN 6 HA ASN 6 14.685 1.886 -1.998 60 HB2 ASN 6 HB2 ASN 6 12.428 2.759 -0.500 61 HB3 ASN 6 HB3 ASN 6 13.787 2.620 0.612 62 HD21 ASN 6 HD21 ASN 6 14.859 4.429 0.843 63 HD22 ASN 6 HD22 ASN 6 15.113 5.633 -0.371 64 H GLY 7 H GLY 7 13.146 -0.369 0.212 65 HA2 GLY 7 HA2 GLY 7 14.063 -2.028 1.517 66 HA3 GLY 7 HA3 GLY 7 15.605 -1.703 0.739 67 H ILE 8 H ILE 8 13.828 -1.467 3.590 68 HA ILE 8 HA ILE 8 14.971 0.796 4.805 69 HB ILE 8 HB ILE 8 13.984 -1.735 6.125 70 HG12 ILE 8 HG12 ILE 8 12.064 0.142 6.541 71 HG13 ILE 8 HG13 ILE 8 12.639 0.617 4.946 72 HG21 ILE 8 HG21 ILE 8 15.305 -0.549 7.697 73 HG22 ILE 8 HG22 ILE 8 14.607 0.997 7.219 74 HG23 ILE 8 HG23 ILE 8 13.622 -0.187 8.077 75 HD11 ILE 8 HD11 ILE 8 12.311 -2.185 4.920 76 HD12 ILE 8 HD12 ILE 8 10.868 -1.484 5.653 77 HD13 ILE 8 HD13 ILE 8 11.386 -0.961 4.050 78 H GLY 9 H GLY 9 15.703 -2.569 5.725 79 HA2 GLY 9 HA2 GLY 9 18.156 -1.931 6.949 80 HA3 GLY 9 HA3 GLY 9 17.647 -3.541 6.461 81 H TYR 10 H TYR 10 17.348 -2.396 3.637 82 HA TYR 10 HA TYR 10 19.833 -3.287 2.657 83 HB2 TYR 10 HB2 TYR 10 17.535 -1.804 1.402 84 HB3 TYR 10 HB3 TYR 10 18.992 -2.176 0.488 85 HD1 TYR 10 HD1 TYR 10 16.194 -3.704 2.379 86 HD2 TYR 10 HD2 TYR 10 19.339 -4.327 -0.418 87 HE1 TYR 10 HE1 TYR 10 15.305 -5.944 1.888 88 HE2 TYR 10 HE2 TYR 10 18.458 -6.569 -0.917 89 HH TYR 10 HH TYR 10 15.675 -7.583 -0.518 90 H ALA 11 H ALA 11 18.455 -0.003 2.790 91 HA ALA 11 HA ALA 11 20.842 1.263 1.897 92 HB1 ALA 11 HB1 ALA 11 18.334 2.086 1.954 93 HB2 ALA 11 HB2 ALA 11 18.842 2.769 3.499 94 HB3 ALA 11 HB3 ALA 11 19.680 3.224 2.016 95 H ILE 12 H ILE 12 19.259 1.253 5.098 96 HA ILE 12 HA ILE 12 21.222 2.558 6.530 97 HB ILE 12 HB ILE 12 19.479 0.292 7.506 98 HG12 ILE 12 HG12 ILE 12 18.808 3.058 8.228 99 HG13 ILE 12 HG13 ILE 12 18.679 2.721 6.506 100 HG21 ILE 12 HG21 ILE 12 20.858 0.456 9.285 101 HG22 ILE 12 HG22 ILE 12 21.409 2.071 8.845 102 HG23 ILE 12 HG23 ILE 12 19.860 1.860 9.660 103 HD11 ILE 12 HD11 ILE 12 17.455 0.566 7.804 104 HD12 ILE 12 HD12 ILE 12 16.899 2.022 8.630 105 HD13 ILE 12 HD13 ILE 12 16.683 1.859 6.887 106 H GLY 13 H GLY 13 20.910 -0.946 5.975 107 HA2 GLY 13 HA2 GLY 13 23.199 -1.709 7.422 108 HA3 GLY 13 HA3 GLY 13 22.441 -2.648 6.144 109 H TYR 14 H TYR 14 22.832 -0.446 4.192 110 HA TYR 14 HA TYR 14 25.272 -1.302 3.101 111 HB2 TYR 14 HB2 TYR 14 23.279 -0.207 1.914 112 HB3 TYR 14 HB3 TYR 14 23.962 1.329 2.434 113 HD1 TYR 14 HD1 TYR 14 26.183 2.044 1.585 114 HD2 TYR 14 HD2 TYR 14 24.228 -1.431 0.099 115 HE1 TYR 14 HE1 TYR 14 27.668 2.054 -0.376 116 HE2 TYR 14 HE2 TYR 14 25.708 -1.431 -1.865 117 HH TYR 14 HH TYR 14 27.086 0.467 -3.130 118 H ALA 15 H ALA 15 24.429 1.784 4.670 119 HA ALA 15 HA ALA 15 27.064 2.826 4.593 120 HB1 ALA 15 HB1 ALA 15 26.126 4.391 6.394 121 HB2 ALA 15 HB2 ALA 15 25.378 4.426 4.797 122 HB3 ALA 15 HB3 ALA 15 24.592 3.564 6.121 123 H PHE 16 H PHE 16 25.221 1.078 7.054 124 HA PHE 16 HA PHE 16 26.916 1.325 9.219 125 HB2 PHE 16 HB2 PHE 16 24.811 -0.515 8.387 126 HB3 PHE 16 HB3 PHE 16 26.031 -1.298 9.386 127 HD1 PHE 16 HD2 PHE 16 26.785 0.422 11.416 128 HD2 PHE 16 HD1 PHE 16 22.968 0.159 9.552 129 HE1 PHE 16 HE2 PHE 16 25.739 1.367 13.433 130 HE2 PHE 16 HE1 PHE 16 21.916 1.104 11.565 131 HZ PHE 16 HZ PHE 16 23.301 1.708 13.509 132 H GLY 17 H GLY 17 27.053 -1.049 6.581 133 HA2 GLY 17 HA2 GLY 17 29.228 -2.538 7.555 134 HA3 GLY 17 HA3 GLY 17 28.742 -2.430 5.869 135 H ALA 18 H ALA 18 29.110 0.466 5.749 136 HA ALA 18 HA ALA 18 31.895 0.471 5.083 137 HB1 ALA 18 HB1 ALA 18 31.431 2.898 4.528 138 HB2 ALA 18 HB2 ALA 18 30.488 1.699 3.642 139 HB3 ALA 18 HB3 ALA 18 29.756 2.581 4.982 140 H VAL 19 H VAL 19 29.908 2.022 7.573 141 HA VAL 19 HA VAL 19 31.798 3.676 8.734 142 HB VAL 19 HB VAL 19 29.582 2.134 10.087 143 HG11 VAL 19 HG11 VAL 19 31.466 4.225 11.094 144 HG12 VAL 19 HG12 VAL 19 29.824 4.133 11.734 145 HG13 VAL 19 HG13 VAL 19 30.907 2.748 11.879 146 HG21 VAL 19 HG21 VAL 19 28.195 3.952 9.695 147 HG22 VAL 19 HG22 VAL 19 29.545 5.050 9.409 148 HG23 VAL 19 HG23 VAL 19 29.119 3.843 8.196 149 H GLU 20 H GLU 20 31.476 0.218 8.915 150 HA GLU 20 HA GLU 20 33.179 -0.120 11.194 151 HB2 GLU 20 HB2 GLU 20 32.694 -2.272 9.164 152 HB3 GLU 20 HB3 GLU 20 32.886 -2.415 10.905 153 HG2 GLU 20 HG2 GLU 20 30.642 -0.927 10.788 154 HG3 GLU 20 HG3 GLU 20 30.486 -1.864 9.303 155 H ARG 21 H ARG 21 33.592 -0.414 7.685 156 HA ARG 21 HA ARG 21 36.225 -1.335 7.663 157 HB2 ARG 21 HB2 ARG 21 34.433 0.023 5.742 158 HB3 ARG 21 HB3 ARG 21 36.154 0.158 5.409 159 HG2 ARG 21 HG2 ARG 21 35.758 -2.528 6.012 160 HG3 ARG 21 HG3 ARG 21 34.374 -2.071 5.018 161 HD2 ARG 21 HD2 ARG 21 36.123 -0.971 3.479 162 HD3 ARG 21 HD3 ARG 21 37.295 -1.957 4.354 163 HE ARG 21 HE ARG 21 35.412 -2.851 2.388 164 HH11 ARG 21 HH11 ARG 21 37.256 -3.791 5.187 165 HH12 ARG 21 HH12 ARG 21 37.272 -5.474 4.772 166 HH21 ARG 21 HH21 ARG 21 35.426 -5.063 1.832 167 HH22 ARG 21 HH22 ARG 21 36.232 -6.196 2.863 168 H ALA 22 H ALA 22 34.929 1.854 8.192 169 HA ALA 22 HA ALA 22 37.206 3.400 7.684 170 HB1 ALA 22 HB1 ALA 22 34.674 3.753 9.120 171 HB2 ALA 22 HB2 ALA 22 35.999 4.761 9.704 172 HB3 ALA 22 HB3 ALA 22 35.514 4.837 8.010 173 H VAL 23 H VAL 23 36.089 1.905 10.713 174 HA VAL 23 HA VAL 23 38.455 2.729 12.140 175 HB VAL 23 HB VAL 23 36.529 0.651 13.131 176 HG11 VAL 23 HG11 VAL 23 38.333 0.955 14.600 177 HG12 VAL 23 HG12 VAL 23 38.324 2.706 14.386 178 HG13 VAL 23 HG13 VAL 23 37.028 1.921 15.288 179 HG21 VAL 23 HG21 VAL 23 36.081 3.619 12.946 180 HG22 VAL 23 HG22 VAL 23 35.042 2.321 12.359 181 HG23 VAL 23 HG23 VAL 23 35.221 2.592 14.093 182 H LEU 24 H LEU 24 37.251 -0.196 10.608 183 HA LEU 24 HA LEU 24 39.022 -2.069 11.637 184 HB2 LEU 24 HB2 LEU 24 37.036 -2.091 9.777 185 HB3 LEU 24 HB3 LEU 24 38.460 -2.335 8.768 186 HG LEU 24 HG LEU 24 38.688 -4.114 10.948 187 HD11 LEU 24 HD11 LEU 24 36.365 -3.934 11.436 188 HD12 LEU 24 HD12 LEU 24 36.609 -5.455 10.577 189 HD13 LEU 24 HD13 LEU 24 35.936 -4.063 9.730 190 HD21 LEU 24 HD21 LEU 24 37.985 -4.511 8.044 191 HD22 LEU 24 HD22 LEU 24 38.443 -5.808 9.149 192 HD23 LEU 24 HD23 LEU 24 39.596 -4.529 8.763 193 H GLY 25 H GLY 25 39.407 0.048 8.806 194 HA2 GLY 25 HA2 GLY 25 42.170 0.397 9.163 195 HA3 GLY 25 HA3 GLY 25 41.928 -0.904 8.007 196 H GLY 26 H GLY 26 40.505 2.315 8.621 197 HA2 GLY 26 HA2 GLY 26 41.015 2.945 5.784 198 HA3 GLY 26 HA3 GLY 26 39.448 3.270 6.509 199 H SER 27 H SER 27 39.305 4.876 8.173 200 HA SER 27 HA SER 27 40.759 7.210 7.596 201 HB2 SER 27 HB2 SER 27 39.367 6.813 10.229 202 HB3 SER 27 HB3 SER 27 39.460 8.263 9.230 203 HG SER 27 HG SER 27 37.646 6.240 9.179 204 H ARG 28 H ARG 28 42.616 8.017 8.350 205 HA ARG 28 HA ARG 28 44.228 6.392 10.106 206 HB2 ARG 28 HB2 ARG 28 45.962 8.140 9.689 207 HB3 ARG 28 HB3 ARG 28 45.326 7.402 8.225 208 HG2 ARG 28 HG2 ARG 28 43.792 9.731 8.911 209 HG3 ARG 28 HG3 ARG 28 45.511 10.123 8.825 210 HD2 ARG 28 HD2 ARG 28 44.395 8.429 6.665 211 HD3 ARG 28 HD3 ARG 28 43.915 10.125 6.685 212 HE ARG 28 HE ARG 28 46.655 10.113 6.970 213 HH11 ARG 28 HH11 ARG 28 44.347 8.994 4.616 214 HH12 ARG 28 HH12 ARG 28 45.422 9.196 3.273 215 HH21 ARG 28 HH21 ARG 28 48.080 10.384 5.210 216 HH22 ARG 28 HH22 ARG 28 47.546 9.986 3.612 217 H ASP 29 H ASP 29 42.361 6.875 11.759 218 HA ASP 29 HA ASP 29 43.470 8.353 13.859 219 HB2 ASP 29 HB2 ASP 29 41.416 10.050 13.864 220 HB3 ASP 29 HB3 ASP 29 42.934 10.428 13.054 221 H TYR 30 H TYR 30 42.046 8.446 15.760 222 HA TYR 30 HA TYR 30 40.571 7.508 17.215 223 HB2 TYR 30 HB2 TYR 30 38.881 6.767 14.828 224 HB3 TYR 30 HB3 TYR 30 38.350 7.043 16.483 225 HD1 TYR 30 HD2 TYR 30 39.695 9.567 17.147 226 HD2 TYR 30 HD1 TYR 30 37.772 8.363 13.548 227 HE1 TYR 30 HE2 TYR 30 39.236 11.923 16.611 228 HE2 TYR 30 HE1 TYR 30 37.309 10.715 13.001 229 HH TYR 30 HH TYR 30 37.042 12.902 14.356 230 H ASN 31 H ASN 31 42.232 5.896 17.581 231 HA ASN 31 HA ASN 31 41.255 3.281 17.574 232 HB2 ASN 31 HB2 ASN 31 42.531 4.036 15.111 233 HB3 ASN 31 HB3 ASN 31 43.491 2.797 15.914 234 HD21 ASN 31 HD21 ASN 31 41.524 2.981 13.540 235 HD22 ASN 31 HD22 ASN 31 40.533 1.581 13.751 236 H LYS 32 H LYS 32 44.170 5.275 17.451 237 HA LYS 32 HA LYS 32 46.065 5.304 18.710 238 HB2 LYS 32 HB2 LYS 32 43.899 4.976 20.468 239 HB3 LYS 32 HB3 LYS 32 45.127 3.845 21.019 240 HG2 LYS 32 HG2 LYS 32 46.016 5.560 22.114 241 HG3 LYS 32 HG3 LYS 32 46.560 6.148 20.541 242 HD2 LYS 32 HD2 LYS 32 45.440 7.989 21.375 243 HD3 LYS 32 HD3 LYS 32 44.180 7.204 20.420 244 HE2 LYS 32 HE2 LYS 32 44.458 6.437 23.279 245 HE3 LYS 32 HE3 LYS 32 43.759 8.012 22.908 246 HZ1 LYS 32 HZ1 LYS 32 41.940 6.603 22.979 247 HZ2 LYS 32 HZ2 LYS 32 42.745 5.334 22.202 248 HZ3 LYS 32 HZ3 LYS 32 42.266 6.696 21.321 Start of MODEL 19 1 H1 ARG 1 H ARG 1 8.790 10.761 0.846 2 HA ARG 1 HA ARG 1 10.395 9.829 2.192 3 HB2 ARG 1 HB2 ARG 1 8.547 10.055 3.992 4 HB3 ARG 1 HB3 ARG 1 8.287 8.336 3.726 5 HG2 ARG 1 HG2 ARG 1 10.276 7.744 4.674 6 HG3 ARG 1 HG3 ARG 1 11.055 9.272 4.256 7 HD2 ARG 1 HD2 ARG 1 8.830 9.145 6.264 8 HD3 ARG 1 HD3 ARG 1 10.501 8.821 6.725 9 HE ARG 1 HE ARG 1 10.648 11.197 5.428 10 HH11 ARG 1 HH11 ARG 1 8.722 10.007 8.072 11 HH12 ARG 1 HH12 ARG 1 8.581 11.555 8.837 12 HH21 ARG 1 HH21 ARG 1 10.469 13.241 6.425 13 HH22 ARG 1 HH22 ARG 1 9.574 13.394 7.899 14 H ARG 2 H ARG 2 10.540 8.748 -0.011 15 HA ARG 2 HA ARG 2 9.702 5.978 -0.099 16 HB2 ARG 2 HB2 ARG 2 11.337 7.637 -2.026 17 HB3 ARG 2 HB3 ARG 2 10.829 5.979 -2.318 18 HG2 ARG 2 HG2 ARG 2 8.443 7.010 -1.823 19 HG3 ARG 2 HG3 ARG 2 9.249 8.486 -2.357 20 HD2 ARG 2 HD2 ARG 2 9.917 6.331 -4.121 21 HD3 ARG 2 HD3 ARG 2 8.166 6.428 -3.944 22 HE ARG 2 HE ARG 2 9.222 9.003 -4.386 23 HH11 ARG 2 HH11 ARG 2 8.625 5.997 -6.036 24 HH12 ARG 2 HH12 ARG 2 8.447 6.736 -7.593 25 HH21 ARG 2 HH21 ARG 2 8.989 9.989 -6.430 26 HH22 ARG 2 HH22 ARG 2 8.655 9.007 -7.816 27 H SER 3 H SER 3 10.846 4.995 1.572 28 HA SER 3 HA SER 3 13.478 4.116 0.895 29 HB2 SER 3 HB2 SER 3 14.107 6.264 1.857 30 HB3 SER 3 HB3 SER 3 13.159 5.922 3.305 31 HG SER 3 HG SER 3 15.261 5.405 3.768 32 H ARG 4 H ARG 4 10.979 4.401 3.371 33 HA ARG 4 HA ARG 4 11.789 1.928 4.646 34 HB2 ARG 4 HB2 ARG 4 9.485 3.815 5.151 35 HB3 ARG 4 HB3 ARG 4 9.776 2.355 6.087 36 HG2 ARG 4 HG2 ARG 4 12.072 4.175 5.859 37 HG3 ARG 4 HG3 ARG 4 10.688 4.802 6.757 38 HD2 ARG 4 HD2 ARG 4 10.798 3.102 8.348 39 HD3 ARG 4 HD3 ARG 4 11.765 2.061 7.305 40 HE ARG 4 HE ARG 4 12.723 4.095 9.080 41 HH11 ARG 4 HH11 ARG 4 13.392 2.344 6.146 42 HH12 ARG 4 HH12 ARG 4 15.106 2.577 6.244 43 HH21 ARG 4 HH21 ARG 4 14.978 4.408 9.220 44 HH22 ARG 4 HH22 ARG 4 16.007 3.751 7.993 45 H LYS 5 H LYS 5 11.332 1.226 2.147 46 HA LYS 5 HA LYS 5 9.359 -0.746 2.293 47 HB2 LYS 5 HB2 LYS 5 8.154 1.661 1.854 48 HB3 LYS 5 HB3 LYS 5 8.414 1.107 0.205 49 HG2 LYS 5 HG2 LYS 5 7.397 -1.108 1.549 50 HG3 LYS 5 HG3 LYS 5 6.456 0.263 2.142 51 HD2 LYS 5 HD2 LYS 5 6.938 0.145 -0.775 52 HD3 LYS 5 HD3 LYS 5 5.850 -1.072 -0.103 53 HE2 LYS 5 HE2 LYS 5 5.573 1.887 0.393 54 HE3 LYS 5 HE3 LYS 5 4.732 1.027 -0.896 55 HZ1 LYS 5 HZ1 LYS 5 3.309 0.082 0.544 56 HZ2 LYS 5 HZ2 LYS 5 3.717 1.393 1.532 57 HZ3 LYS 5 HZ3 LYS 5 4.466 -0.106 1.764 58 H ASN 6 H ASN 6 12.061 -0.497 1.498 59 HA ASN 6 HA ASN 6 12.096 -2.068 -0.812 60 HB2 ASN 6 HB2 ASN 6 11.864 0.718 -1.369 61 HB3 ASN 6 HB3 ASN 6 13.481 0.204 -1.840 62 HD21 ASN 6 HD21 ASN 6 13.316 0.154 -3.994 63 HD22 ASN 6 HD22 ASN 6 12.191 -0.818 -4.875 64 H GLY 7 H GLY 7 13.797 0.227 1.234 65 HA2 GLY 7 HA2 GLY 7 16.391 -0.915 0.627 66 HA3 GLY 7 HA3 GLY 7 16.057 0.369 1.780 67 H ILE 8 H ILE 8 15.327 -3.096 1.348 68 HA ILE 8 HA ILE 8 14.966 -3.643 4.080 69 HB ILE 8 HB ILE 8 15.898 -5.575 1.955 70 HG12 ILE 8 HG12 ILE 8 13.126 -5.838 2.526 71 HG13 ILE 8 HG13 ILE 8 13.437 -4.135 2.204 72 HG21 ILE 8 HG21 ILE 8 16.177 -6.630 4.023 73 HG22 ILE 8 HG22 ILE 8 14.709 -5.915 4.687 74 HG23 ILE 8 HG23 ILE 8 14.598 -7.181 3.465 75 HD11 ILE 8 HD11 ILE 8 14.653 -6.043 0.322 76 HD12 ILE 8 HD12 ILE 8 12.893 -5.935 0.300 77 HD13 ILE 8 HD13 ILE 8 13.868 -4.491 0.028 78 H GLY 9 H GLY 9 17.805 -4.156 1.984 79 HA2 GLY 9 HA2 GLY 9 19.466 -4.118 4.424 80 HA3 GLY 9 HA3 GLY 9 19.731 -5.314 3.164 81 H TYR 10 H TYR 10 18.795 -2.145 2.193 82 HA TYR 10 HA TYR 10 21.228 -1.795 0.730 83 HB2 TYR 10 HB2 TYR 10 18.751 -0.134 1.112 84 HB3 TYR 10 HB3 TYR 10 20.153 0.515 0.268 85 HD1 TYR 10 HD1 TYR 10 18.056 -2.585 0.247 86 HD2 TYR 10 HD2 TYR 10 20.162 0.329 -2.027 87 HE1 TYR 10 HE1 TYR 10 17.298 -3.666 -1.828 88 HE2 TYR 10 HE2 TYR 10 19.409 -0.743 -4.109 89 HH TYR 10 HH TYR 10 18.504 -3.566 -4.500 90 H ALA 11 H ALA 11 19.667 0.230 3.223 91 HA ALA 11 HA ALA 11 21.997 1.788 3.686 92 HB1 ALA 11 HB1 ALA 11 20.546 3.092 4.741 93 HB2 ALA 11 HB2 ALA 11 19.294 1.886 4.442 94 HB3 ALA 11 HB3 ALA 11 20.227 1.835 5.937 95 H ILE 12 H ILE 12 20.417 -0.775 5.593 96 HA ILE 12 HA ILE 12 22.187 -0.872 7.719 97 HB ILE 12 HB ILE 12 20.745 -3.201 6.444 98 HG12 ILE 12 HG12 ILE 12 19.595 -2.280 8.902 99 HG13 ILE 12 HG13 ILE 12 19.765 -0.913 7.807 100 HG21 ILE 12 HG21 ILE 12 20.912 -4.152 8.775 101 HG22 ILE 12 HG22 ILE 12 22.419 -4.087 7.862 102 HG23 ILE 12 HG23 ILE 12 22.094 -2.888 9.114 103 HD11 ILE 12 HD11 ILE 12 18.599 -2.300 6.071 104 HD12 ILE 12 HD12 ILE 12 18.252 -3.464 7.350 105 HD13 ILE 12 HD13 ILE 12 17.617 -1.823 7.455 106 H GLY 13 H GLY 13 22.309 -2.762 4.697 107 HA2 GLY 13 HA2 GLY 13 24.714 -4.109 5.290 108 HA3 GLY 13 HA3 GLY 13 24.035 -3.885 3.684 109 H TYR 14 H TYR 14 24.085 -0.956 3.908 110 HA TYR 14 HA TYR 14 26.538 -0.442 2.703 111 HB2 TYR 14 HB2 TYR 14 24.403 0.980 2.692 112 HB3 TYR 14 HB3 TYR 14 24.981 1.650 4.213 113 HD1 TYR 14 HD1 TYR 14 27.083 2.967 4.263 114 HD2 TYR 14 HD2 TYR 14 25.364 1.633 0.607 115 HE1 TYR 14 HE1 TYR 14 28.461 4.589 3.031 116 HE2 TYR 14 HE2 TYR 14 26.739 3.250 -0.636 117 HH TYR 14 HH TYR 14 28.570 5.715 0.961 118 H ALA 15 H ALA 15 25.518 0.301 6.034 119 HA ALA 15 HA ALA 15 28.051 1.277 6.852 120 HB1 ALA 15 HB1 ALA 15 25.600 0.385 8.332 121 HB2 ALA 15 HB2 ALA 15 27.071 0.856 9.185 122 HB3 ALA 15 HB3 ALA 15 26.249 2.014 8.139 123 H PHE 16 H PHE 16 26.481 -1.882 7.075 124 HA PHE 16 HA PHE 16 28.264 -3.194 8.737 125 HB2 PHE 16 HB2 PHE 16 26.218 -3.947 6.822 126 HB3 PHE 16 HB3 PHE 16 27.557 -5.091 6.812 127 HD1 PHE 16 HD2 PHE 16 28.412 -5.602 9.353 128 HD2 PHE 16 HD1 PHE 16 24.470 -4.511 8.175 129 HE1 PHE 16 HE2 PHE 16 27.514 -6.670 11.380 130 HE2 PHE 16 HE1 PHE 16 23.566 -5.577 10.201 131 HZ PHE 16 HZ PHE 16 25.089 -6.659 11.805 132 H GLY 17 H GLY 17 28.339 -3.102 5.169 133 HA2 GLY 17 HA2 GLY 17 30.711 -4.495 4.794 134 HA3 GLY 17 HA3 GLY 17 30.093 -3.270 3.696 135 H ALA 18 H ALA 18 30.230 -1.122 5.646 136 HA ALA 18 HA ALA 18 32.959 -0.368 5.216 137 HB1 ALA 18 HB1 ALA 18 31.585 1.459 5.053 138 HB2 ALA 18 HB2 ALA 18 30.554 0.942 6.388 139 HB3 ALA 18 HB3 ALA 18 32.146 1.626 6.717 140 H VAL 19 H VAL 19 31.007 -1.219 8.049 141 HA VAL 19 HA VAL 19 32.825 -0.674 10.064 142 HB VAL 19 HB VAL 19 30.827 -2.934 9.911 143 HG11 VAL 19 HG11 VAL 19 31.068 -2.466 12.537 144 HG12 VAL 19 HG12 VAL 19 32.020 -3.683 11.685 145 HG13 VAL 19 HG13 VAL 19 32.715 -2.098 12.026 146 HG21 VAL 19 HG21 VAL 19 30.044 -0.920 11.717 147 HG22 VAL 19 HG22 VAL 19 30.558 -0.104 10.241 148 HG23 VAL 19 HG23 VAL 19 29.302 -1.340 10.173 149 H GLU 20 H GLU 20 32.751 -3.326 7.796 150 HA GLU 20 HA GLU 20 34.652 -4.947 9.197 151 HB2 GLU 20 HB2 GLU 20 34.141 -5.177 6.253 152 HB3 GLU 20 HB3 GLU 20 34.484 -6.446 7.421 153 HG2 GLU 20 HG2 GLU 20 32.157 -5.557 8.403 154 HG3 GLU 20 HG3 GLU 20 31.927 -5.170 6.699 155 H ARG 21 H ARG 21 34.796 -2.744 6.422 156 HA ARG 21 HA ARG 21 37.477 -3.125 5.747 157 HB2 ARG 21 HB2 ARG 21 35.438 -1.041 5.270 158 HB3 ARG 21 HB3 ARG 21 37.108 -0.514 5.116 159 HG2 ARG 21 HG2 ARG 21 36.889 -2.968 3.744 160 HG3 ARG 21 HG3 ARG 21 35.511 -1.973 3.268 161 HD2 ARG 21 HD2 ARG 21 37.308 -0.101 3.022 162 HD3 ARG 21 HD3 ARG 21 38.435 -1.454 2.935 163 HE ARG 21 HE ARG 21 36.236 -1.782 1.151 164 HH11 ARG 21 HH11 ARG 21 39.289 -0.161 1.566 165 HH12 ARG 21 HH12 ARG 21 39.591 -0.014 -0.133 166 HH21 ARG 21 HH21 ARG 21 36.622 -1.593 -1.090 167 HH22 ARG 21 HH22 ARG 21 38.072 -0.828 -1.643 168 H ALA 22 H ALA 22 35.996 -1.173 8.249 169 HA ALA 22 HA ALA 22 38.124 0.496 8.911 170 HB1 ALA 22 HB1 ALA 22 36.318 -0.668 11.000 171 HB2 ALA 22 HB2 ALA 22 37.002 0.955 10.899 172 HB3 ALA 22 HB3 ALA 22 35.710 0.473 9.800 173 H VAL 23 H VAL 23 37.357 -2.761 10.106 174 HA VAL 23 HA VAL 23 39.735 -2.865 11.736 175 HB VAL 23 HB VAL 23 38.071 -5.261 11.029 176 HG11 VAL 23 HG11 VAL 23 40.269 -4.922 12.631 177 HG12 VAL 23 HG12 VAL 23 38.936 -4.832 13.784 178 HG13 VAL 23 HG13 VAL 23 39.112 -6.248 12.746 179 HG21 VAL 23 HG21 VAL 23 36.696 -4.632 13.078 180 HG22 VAL 23 HG22 VAL 23 37.348 -3.006 12.880 181 HG23 VAL 23 HG23 VAL 23 36.379 -3.730 11.597 182 H LEU 24 H LEU 24 38.669 -4.128 8.628 183 HA LEU 24 HA LEU 24 40.649 -5.982 8.103 184 HB2 LEU 24 HB2 LEU 24 38.575 -4.913 6.705 185 HB3 LEU 24 HB3 LEU 24 39.957 -4.256 5.831 186 HG LEU 24 HG LEU 24 40.631 -6.891 6.012 187 HD11 LEU 24 HD11 LEU 24 37.684 -6.656 6.189 188 HD12 LEU 24 HD12 LEU 24 38.762 -7.918 6.785 189 HD13 LEU 24 HD13 LEU 24 38.337 -7.858 5.075 190 HD21 LEU 24 HD21 LEU 24 39.385 -6.865 3.638 191 HD22 LEU 24 HD22 LEU 24 40.927 -6.060 3.931 192 HD23 LEU 24 HD23 LEU 24 39.426 -5.133 3.968 193 H GLY 25 H GLY 25 40.794 -2.481 7.970 194 HA2 GLY 25 HA2 GLY 25 43.560 -2.628 6.977 195 HA3 GLY 25 HA3 GLY 25 42.548 -1.191 6.966 196 H GLY 26 H GLY 26 41.624 -1.503 9.694 197 HA2 GLY 26 HA2 GLY 26 42.578 -1.540 11.908 198 HA3 GLY 26 HA3 GLY 26 44.133 -1.134 11.196 199 H SER 27 H SER 27 42.689 0.875 9.439 200 HA SER 27 HA SER 27 43.241 3.163 10.922 201 HB2 SER 27 HB2 SER 27 41.159 3.277 8.779 202 HB3 SER 27 HB3 SER 27 42.509 4.368 9.089 203 HG SER 27 HG SER 27 43.310 3.281 7.448 204 H ARG 28 H ARG 28 41.675 4.893 11.520 205 HA ARG 28 HA ARG 28 38.980 4.162 12.154 206 HB2 ARG 28 HB2 ARG 28 39.338 4.570 14.653 207 HB3 ARG 28 HB3 ARG 28 39.850 3.015 14.011 208 HG2 ARG 28 HG2 ARG 28 42.011 3.391 14.475 209 HG3 ARG 28 HG3 ARG 28 41.923 5.089 14.004 210 HD2 ARG 28 HD2 ARG 28 40.368 4.665 16.370 211 HD3 ARG 28 HD3 ARG 28 41.987 4.006 16.604 212 HE ARG 28 HE ARG 28 42.026 6.627 15.463 213 HH11 ARG 28 HH11 ARG 28 41.732 4.852 18.444 214 HH12 ARG 28 HH12 ARG 28 42.321 6.151 19.427 215 HH21 ARG 28 HH21 ARG 28 42.803 8.344 16.747 216 HH22 ARG 28 HH22 ARG 28 42.930 8.137 18.461 217 H ASP 29 H ASP 29 38.517 6.046 10.997 218 HA ASP 29 HA ASP 29 39.645 8.565 11.428 219 HB2 ASP 29 HB2 ASP 29 37.287 7.489 10.063 220 HB3 ASP 29 HB3 ASP 29 37.055 9.126 10.671 221 H TYR 30 H TYR 30 36.285 7.849 12.320 222 HA TYR 30 HA TYR 30 36.432 8.263 15.049 223 HB2 TYR 30 HB2 TYR 30 36.947 10.664 13.675 224 HB3 TYR 30 HB3 TYR 30 35.304 10.806 14.290 225 HD1 TYR 30 HD2 TYR 30 38.174 9.017 15.833 226 HD2 TYR 30 HD1 TYR 30 35.536 12.349 16.038 227 HE1 TYR 30 HE2 TYR 30 39.061 9.575 18.059 228 HE2 TYR 30 HE1 TYR 30 36.416 12.917 18.263 229 HH TYR 30 HH TYR 30 38.398 10.791 20.053 230 H ASN 31 H ASN 31 34.538 9.194 12.196 231 HA ASN 31 HA ASN 31 32.382 7.506 12.798 232 HB2 ASN 31 HB2 ASN 31 30.760 8.867 13.756 233 HB3 ASN 31 HB3 ASN 31 32.217 9.402 14.590 234 HD21 ASN 31 HD21 ASN 31 33.113 11.403 14.080 235 HD22 ASN 31 HD22 ASN 31 32.216 12.616 13.238 236 H LYS 32 H LYS 32 33.501 10.451 11.250 237 HA LYS 32 HA LYS 32 31.560 10.189 9.098 238 HB2 LYS 32 HB2 LYS 32 33.705 12.217 9.712 239 HB3 LYS 32 HB3 LYS 32 32.793 12.236 8.209 240 HG2 LYS 32 HG2 LYS 32 30.716 12.492 9.470 241 HG3 LYS 32 HG3 LYS 32 31.633 12.474 10.979 242 HD2 LYS 32 HD2 LYS 32 32.228 14.621 10.759 243 HD3 LYS 32 HD3 LYS 32 32.641 14.419 9.055 244 HE2 LYS 32 HE2 LYS 32 30.455 14.843 8.354 245 HE3 LYS 32 HE3 LYS 32 29.783 14.528 9.953 246 HZ1 LYS 32 HZ1 LYS 32 31.284 16.575 10.563 247 HZ2 LYS 32 HZ2 LYS 32 29.729 16.786 9.933 248 HZ3 LYS 32 HZ3 LYS 32 31.078 16.941 8.924 Start of MODEL 20 1 H1 ARG 1 H ARG 1 3.717 -4.202 -5.587 2 HA ARG 1 HA ARG 1 2.642 -3.657 -3.032 3 HB2 ARG 1 HB2 ARG 1 4.182 -6.251 -3.231 4 HB3 ARG 1 HB3 ARG 1 3.557 -5.518 -1.760 5 HG2 ARG 1 HG2 ARG 1 1.420 -5.841 -3.624 6 HG3 ARG 1 HG3 ARG 1 2.289 -7.367 -3.456 7 HD2 ARG 1 HD2 ARG 1 2.100 -7.112 -0.979 8 HD3 ARG 1 HD3 ARG 1 1.071 -5.707 -1.256 9 HE ARG 1 HE ARG 1 -0.655 -7.131 -1.682 10 HH11 ARG 1 HH11 ARG 1 2.338 -8.858 -2.111 11 HH12 ARG 1 HH12 ARG 1 1.568 -10.386 -2.381 12 HH21 ARG 1 HH21 ARG 1 -1.679 -9.138 -2.037 13 HH22 ARG 1 HH22 ARG 1 -0.717 -10.544 -2.340 14 H ARG 2 H ARG 2 3.925 -2.065 -2.399 15 HA ARG 2 HA ARG 2 6.637 -1.858 -3.361 16 HB2 ARG 2 HB2 ARG 2 6.650 0.287 -2.107 17 HB3 ARG 2 HB3 ARG 2 5.319 0.159 -3.250 18 HG2 ARG 2 HG2 ARG 2 4.317 -0.842 -0.847 19 HG3 ARG 2 HG3 ARG 2 5.260 0.583 -0.407 20 HD2 ARG 2 HD2 ARG 2 3.079 0.470 -2.488 21 HD3 ARG 2 HD3 ARG 2 2.934 1.164 -0.874 22 HE ARG 2 HE ARG 2 5.068 2.351 -2.333 23 HH11 ARG 2 HH11 ARG 2 1.605 2.340 -1.977 24 HH12 ARG 2 HH12 ARG 2 1.412 3.968 -2.538 25 HH21 ARG 2 HH21 ARG 2 4.827 4.495 -3.073 26 HH22 ARG 2 HH22 ARG 2 3.245 5.193 -3.161 27 H SER 3 H SER 3 8.475 -2.254 -2.265 28 HA SER 3 HA SER 3 8.678 -2.340 0.560 29 HB2 SER 3 HB2 SER 3 7.955 -4.829 -0.823 30 HB3 SER 3 HB3 SER 3 9.373 -4.975 0.216 31 HG SER 3 HG SER 3 6.744 -4.210 0.909 32 H ARG 4 H ARG 4 10.170 -4.446 -1.886 33 HA ARG 4 HA ARG 4 12.797 -3.523 -1.088 34 HB2 ARG 4 HB2 ARG 4 11.815 -5.651 -2.979 35 HB3 ARG 4 HB3 ARG 4 13.514 -5.204 -2.894 36 HG2 ARG 4 HG2 ARG 4 12.223 -5.810 -0.318 37 HG3 ARG 4 HG3 ARG 4 12.401 -7.165 -1.435 38 HD2 ARG 4 HD2 ARG 4 14.774 -6.791 -1.587 39 HD3 ARG 4 HD3 ARG 4 14.642 -5.322 -0.621 40 HE ARG 4 HE ARG 4 13.623 -7.325 0.956 41 HH11 ARG 4 HH11 ARG 4 16.647 -6.685 -0.645 42 HH12 ARG 4 HH12 ARG 4 17.598 -7.536 0.528 43 HH21 ARG 4 HH21 ARG 4 14.863 -8.447 2.507 44 HH22 ARG 4 HH22 ARG 4 16.582 -8.538 2.320 45 H LYS 5 H LYS 5 11.690 -1.345 -2.026 46 HA LYS 5 HA LYS 5 13.296 -0.637 -4.255 47 HB2 LYS 5 HB2 LYS 5 10.644 -1.618 -4.822 48 HB3 LYS 5 HB3 LYS 5 10.775 0.072 -5.289 49 HG2 LYS 5 HG2 LYS 5 13.048 -1.574 -6.114 50 HG3 LYS 5 HG3 LYS 5 11.506 -2.045 -6.832 51 HD2 LYS 5 HD2 LYS 5 11.390 -0.188 -8.096 52 HD3 LYS 5 HD3 LYS 5 12.006 0.846 -6.805 53 HE2 LYS 5 HE2 LYS 5 14.261 0.229 -7.292 54 HE3 LYS 5 HE3 LYS 5 13.734 -1.028 -8.410 55 HZ1 LYS 5 HZ1 LYS 5 13.729 0.446 -10.041 56 HZ2 LYS 5 HZ2 LYS 5 14.303 1.634 -8.983 57 HZ3 LYS 5 HZ3 LYS 5 12.639 1.436 -9.208 58 H ASN 6 H ASN 6 10.426 0.159 -2.341 59 HA ASN 6 HA ASN 6 10.444 2.928 -2.715 60 HB2 ASN 6 HB2 ASN 6 9.037 1.057 -1.104 61 HB3 ASN 6 HB3 ASN 6 9.619 2.335 -0.040 62 HD21 ASN 6 HD21 ASN 6 8.351 4.024 0.160 63 HD22 ASN 6 HD22 ASN 6 7.159 4.545 -0.977 64 H GLY 7 H GLY 7 12.422 0.879 -0.717 65 HA2 GLY 7 HA2 GLY 7 14.571 1.593 0.031 66 HA3 GLY 7 HA3 GLY 7 13.974 3.246 0.070 67 H ILE 8 H ILE 8 13.206 0.101 1.571 68 HA ILE 8 HA ILE 8 12.031 1.172 3.882 69 HB ILE 8 HB ILE 8 13.457 -1.479 3.632 70 HG12 ILE 8 HG12 ILE 8 11.736 -1.182 1.893 71 HG13 ILE 8 HG13 ILE 8 11.266 -2.409 3.064 72 HG21 ILE 8 HG21 ILE 8 11.587 -2.025 5.376 73 HG22 ILE 8 HG22 ILE 8 13.088 -1.257 5.889 74 HG23 ILE 8 HG23 ILE 8 11.633 -0.286 5.667 75 HD11 ILE 8 HD11 ILE 8 9.788 -0.202 2.222 76 HD12 ILE 8 HD12 ILE 8 9.402 -1.318 3.532 77 HD13 ILE 8 HD13 ILE 8 10.292 0.166 3.872 78 H GLY 9 H GLY 9 15.337 -0.054 3.353 79 HA2 GLY 9 HA2 GLY 9 16.252 1.734 5.494 80 HA3 GLY 9 HA3 GLY 9 16.644 0.025 5.605 81 H TYR 10 H TYR 10 16.514 1.609 2.514 82 HA TYR 10 HA TYR 10 19.224 0.891 1.954 83 HB2 TYR 10 HB2 TYR 10 17.074 2.339 0.434 84 HB3 TYR 10 HB3 TYR 10 18.722 2.280 -0.181 85 HD1 TYR 10 HD1 TYR 10 16.144 -0.057 1.195 86 HD2 TYR 10 HD2 TYR 10 19.235 0.587 -1.657 87 HE1 TYR 10 HE1 TYR 10 15.690 -2.266 0.214 88 HE2 TYR 10 HE2 TYR 10 18.789 -1.621 -2.647 89 HH TYR 10 HH TYR 10 17.780 -3.682 -2.169 90 H ALA 11 H ALA 11 17.585 4.063 1.926 91 HA ALA 11 HA ALA 11 19.930 5.595 1.797 92 HB1 ALA 11 HB1 ALA 11 17.369 6.516 3.075 93 HB2 ALA 11 HB2 ALA 11 18.574 7.480 2.222 94 HB3 ALA 11 HB3 ALA 11 17.558 6.347 1.330 95 H ILE 12 H ILE 12 17.926 4.693 4.596 96 HA ILE 12 HA ILE 12 19.434 6.025 6.546 97 HB ILE 12 HB ILE 12 17.929 3.448 6.984 98 HG12 ILE 12 HG12 ILE 12 16.306 5.632 7.687 99 HG13 ILE 12 HG13 ILE 12 16.959 6.022 6.100 100 HG21 ILE 12 HG21 ILE 12 18.578 5.769 8.796 101 HG22 ILE 12 HG22 ILE 12 17.557 4.400 9.230 102 HG23 ILE 12 HG23 ILE 12 19.265 4.147 8.874 103 HD11 ILE 12 HD11 ILE 12 16.078 3.989 5.183 104 HD12 ILE 12 HD12 ILE 12 15.549 3.455 6.779 105 HD13 ILE 12 HD13 ILE 12 14.790 4.854 6.020 106 H GLY 13 H GLY 13 19.596 2.647 5.431 107 HA2 GLY 13 HA2 GLY 13 21.711 1.881 7.145 108 HA3 GLY 13 HA3 GLY 13 21.227 1.048 5.675 109 H TYR 14 H TYR 14 21.665 3.469 4.035 110 HA TYR 14 HA TYR 14 24.262 2.958 3.173 111 HB2 TYR 14 HB2 TYR 14 22.355 4.166 1.948 112 HB3 TYR 14 HB3 TYR 14 22.899 5.617 2.784 113 HD1 TYR 14 HD2 TYR 14 25.165 6.525 2.328 114 HD2 TYR 14 HD1 TYR 14 23.558 3.285 0.087 115 HE1 TYR 14 HE2 TYR 14 26.857 6.901 0.583 116 HE2 TYR 14 HE1 TYR 14 25.246 3.651 -1.664 117 HH TYR 14 HH TYR 14 27.969 5.295 -1.277 118 H ALA 15 H ALA 15 23.067 5.702 5.106 119 HA ALA 15 HA ALA 15 25.642 6.824 5.532 120 HB1 ALA 15 HB1 ALA 15 23.862 8.323 5.740 121 HB2 ALA 15 HB2 ALA 15 22.963 7.249 6.813 122 HB3 ALA 15 HB3 ALA 15 24.409 8.071 7.397 123 H PHE 16 H PHE 16 23.575 4.671 7.432 124 HA PHE 16 HA PHE 16 25.049 4.628 9.794 125 HB2 PHE 16 HB2 PHE 16 22.987 2.975 8.544 126 HB3 PHE 16 HB3 PHE 16 24.076 2.051 9.573 127 HD1 PHE 16 HD2 PHE 16 24.657 3.577 11.829 128 HD2 PHE 16 HD1 PHE 16 21.036 3.526 9.593 129 HE1 PHE 16 HE2 PHE 16 23.423 4.337 13.817 130 HE2 PHE 16 HE1 PHE 16 19.796 4.287 11.578 131 HZ PHE 16 HZ PHE 16 20.990 4.693 13.694 132 H GLY 17 H GLY 17 25.289 2.475 6.967 133 HA2 GLY 17 HA2 GLY 17 27.311 0.807 7.881 134 HA3 GLY 17 HA3 GLY 17 27.032 1.199 6.191 135 H ALA 18 H ALA 18 27.546 4.032 6.502 136 HA ALA 18 HA ALA 18 30.394 3.963 6.209 137 HB1 ALA 18 HB1 ALA 18 28.561 6.356 6.279 138 HB2 ALA 18 HB2 ALA 18 30.215 6.311 5.668 139 HB3 ALA 18 HB3 ALA 18 28.944 5.413 4.838 140 H VAL 19 H VAL 19 28.148 5.311 8.597 141 HA VAL 19 HA VAL 19 29.928 6.702 10.196 142 HB VAL 19 HB VAL 19 27.488 5.136 11.042 143 HG11 VAL 19 HG11 VAL 19 27.600 6.940 12.934 144 HG12 VAL 19 HG12 VAL 19 28.541 5.452 13.063 145 HG13 VAL 19 HG13 VAL 19 29.320 6.948 12.545 146 HG21 VAL 19 HG21 VAL 19 27.129 7.948 11.130 147 HG22 VAL 19 HG22 VAL 19 27.812 7.538 9.557 148 HG23 VAL 19 HG23 VAL 19 26.319 6.771 10.097 149 H GLU 20 H GLU 20 29.413 3.266 9.920 150 HA GLU 20 HA GLU 20 30.802 2.572 12.327 151 HB2 GLU 20 HB2 GLU 20 30.458 0.689 10.021 152 HB3 GLU 20 HB3 GLU 20 30.426 0.347 11.745 153 HG2 GLU 20 HG2 GLU 20 28.296 1.990 11.529 154 HG3 GLU 20 HG3 GLU 20 28.274 1.213 9.947 155 H ARG 21 H ARG 21 31.628 2.629 8.880 156 HA ARG 21 HA ARG 21 34.192 1.545 9.060 157 HB2 ARG 21 HB2 ARG 21 32.729 3.227 7.113 158 HB3 ARG 21 HB3 ARG 21 34.484 3.264 6.998 159 HG2 ARG 21 HG2 ARG 21 34.625 1.012 6.463 160 HG3 ARG 21 HG3 ARG 21 33.022 0.658 7.113 161 HD2 ARG 21 HD2 ARG 21 32.028 1.118 5.168 162 HD3 ARG 21 HD3 ARG 21 32.940 2.614 4.970 163 HE ARG 21 HE ARG 21 34.691 0.548 4.413 164 HH11 ARG 21 HH11 ARG 21 31.693 1.781 3.142 165 HH12 ARG 21 HH12 ARG 21 32.018 1.266 1.521 166 HH21 ARG 21 HH21 ARG 21 35.130 -0.135 2.282 167 HH22 ARG 21 HH22 ARG 21 33.972 0.175 1.032 168 H ALA 22 H ALA 22 33.021 4.774 9.713 169 HA ALA 22 HA ALA 22 35.472 6.144 9.712 170 HB1 ALA 22 HB1 ALA 22 34.131 7.866 10.106 171 HB2 ALA 22 HB2 ALA 22 32.783 6.744 10.298 172 HB3 ALA 22 HB3 ALA 22 33.733 7.230 11.702 173 H VAL 23 H VAL 23 33.733 4.479 12.321 174 HA VAL 23 HA VAL 23 35.799 5.051 14.251 175 HB VAL 23 HB VAL 23 33.651 2.992 14.643 176 HG11 VAL 23 HG11 VAL 23 34.307 4.900 16.763 177 HG12 VAL 23 HG12 VAL 23 34.165 3.142 16.820 178 HG13 VAL 23 HG13 VAL 23 35.660 3.889 16.256 179 HG21 VAL 23 HG21 VAL 23 32.317 4.991 15.585 180 HG22 VAL 23 HG22 VAL 23 33.348 5.971 14.543 181 HG23 VAL 23 HG23 VAL 23 32.319 4.723 13.842 182 H LEU 24 H LEU 24 34.939 2.438 12.108 183 HA LEU 24 HA LEU 24 36.336 0.332 13.284 184 HB2 LEU 24 HB2 LEU 24 34.837 0.641 11.044 185 HB3 LEU 24 HB3 LEU 24 36.447 0.466 10.349 186 HG LEU 24 HG LEU 24 36.424 -1.630 12.054 187 HD11 LEU 24 HD11 LEU 24 34.036 -2.604 11.334 188 HD12 LEU 24 HD12 LEU 24 33.614 -0.901 11.514 189 HD13 LEU 24 HD13 LEU 24 34.322 -1.781 12.868 190 HD21 LEU 24 HD21 LEU 24 35.125 -2.046 9.415 191 HD22 LEU 24 HD22 LEU 24 36.464 -2.912 10.168 192 HD23 LEU 24 HD23 LEU 24 36.735 -1.326 9.445 193 H GLY 25 H GLY 25 37.463 3.046 11.396 194 HA2 GLY 25 HA2 GLY 25 40.214 2.287 12.033 195 HA3 GLY 25 HA3 GLY 25 39.814 2.500 10.335 196 H GLY 26 H GLY 26 39.672 4.179 13.467 197 HA2 GLY 26 HA2 GLY 26 40.898 6.518 12.402 198 HA3 GLY 26 HA3 GLY 26 39.164 6.748 12.575 199 H SER 27 H SER 27 38.731 5.270 14.913 200 HA SER 27 HA SER 27 39.375 7.187 16.875 201 HB2 SER 27 HB2 SER 27 37.527 5.230 16.723 202 HB3 SER 27 HB3 SER 27 38.698 4.445 17.783 203 HG SER 27 HG SER 27 38.047 5.693 19.331 204 H ARG 28 H ARG 28 41.065 4.430 15.698 205 HA ARG 28 HA ARG 28 43.329 5.039 17.374 206 HB2 ARG 28 HB2 ARG 28 43.508 2.613 18.137 207 HB3 ARG 28 HB3 ARG 28 42.305 3.610 18.944 208 HG2 ARG 28 HG2 ARG 28 40.583 2.395 18.165 209 HG3 ARG 28 HG3 ARG 28 41.339 2.137 16.592 210 HD2 ARG 28 HD2 ARG 28 41.373 0.008 17.467 211 HD3 ARG 28 HD3 ARG 28 42.962 0.606 17.943 212 HE ARG 28 HE ARG 28 40.944 1.066 19.926 213 HH11 ARG 28 HH11 ARG 28 43.207 -1.255 18.657 214 HH12 ARG 28 HH12 ARG 28 43.333 -2.139 20.142 215 HH21 ARG 28 HH21 ARG 28 41.102 -0.089 21.887 216 HH22 ARG 28 HH22 ARG 28 42.134 -1.475 21.978 217 H ASP 29 H ASP 29 44.861 5.145 15.873 218 HA ASP 29 HA ASP 29 45.815 2.920 14.488 219 HB2 ASP 29 HB2 ASP 29 43.587 4.172 13.197 220 HB3 ASP 29 HB3 ASP 29 45.030 4.439 12.222 221 H TYR 30 H TYR 30 47.539 3.488 12.919 222 HA TYR 30 HA TYR 30 48.450 6.206 12.794 223 HB2 TYR 30 HB2 TYR 30 49.145 4.919 15.103 224 HB3 TYR 30 HB3 TYR 30 50.526 4.558 14.073 225 HD1 TYR 30 HD2 TYR 30 48.373 7.579 14.574 226 HD2 TYR 30 HD1 TYR 30 52.302 5.947 14.538 227 HE1 TYR 30 HE2 TYR 30 49.297 9.809 15.042 228 HE2 TYR 30 HE1 TYR 30 53.237 8.172 15.007 229 HH TYR 30 HH TYR 30 52.665 10.279 15.804 230 H ASN 31 H ASN 31 51.124 5.789 12.257 231 HA ASN 31 HA ASN 31 51.130 5.027 9.596 232 HB2 ASN 31 HB2 ASN 31 53.100 5.789 11.576 233 HB3 ASN 31 HB3 ASN 31 53.736 4.540 10.509 234 HD21 ASN 31 HD21 ASN 31 53.008 7.819 10.868 235 HD22 ASN 31 HD22 ASN 31 53.348 8.323 9.251 236 H LYS 32 H LYS 32 52.302 3.148 12.388 237 HA LYS 32 HA LYS 32 52.561 0.912 12.718 238 HB2 LYS 32 HB2 LYS 32 50.116 1.164 11.586 239 HB3 LYS 32 HB3 LYS 32 50.899 0.129 10.399 240 HG2 LYS 32 HG2 LYS 32 51.439 -1.481 12.153 241 HG3 LYS 32 HG3 LYS 32 50.659 -0.441 13.347 242 HD2 LYS 32 HD2 LYS 32 48.628 -1.194 12.804 243 HD3 LYS 32 HD3 LYS 32 48.933 -0.982 11.078 244 HE2 LYS 32 HE2 LYS 32 50.060 -3.114 10.975 245 HE3 LYS 32 HE3 LYS 32 49.925 -3.309 12.722 246 HZ1 LYS 32 HZ1 LYS 32 47.717 -3.306 10.741 247 HZ2 LYS 32 HZ2 LYS 32 47.471 -3.260 12.414 248 HZ3 LYS 32 HZ3 LYS 32 48.228 -4.598 11.707
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