NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
648200 | 6rc7 | 34392 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 -5.292 13.010 0.038 2 HA LEU 1 HA LEU 1 -5.783 11.774 -2.492 3 HB2 LEU 1 2HB LEU 1 -3.249 12.345 -2.324 4 HB3 LEU 1 3HB LEU 1 -3.190 11.001 -1.200 5 HG LEU 1 HG LEU 1 -4.489 9.798 -3.237 6 HD11 LEU 1 1HD1 LEU 1 -3.035 12.128 -4.427 7 HD12 LEU 1 2HD1 LEU 1 -3.052 10.576 -5.299 8 HD13 LEU 1 3HD1 LEU 1 -4.585 11.384 -4.890 9 HD21 LEU 1 1HD2 LEU 1 -1.504 10.016 -3.437 10 HD22 LEU 1 2HD2 LEU 1 -2.250 9.311 -1.983 11 HD23 LEU 1 3HD2 LEU 1 -2.557 8.588 -3.580 12 H LYS 2 H LYS 2 -6.499 9.601 -2.244 13 HA LYS 2 HA LYS 2 -6.688 8.733 0.553 14 HB2 LYS 2 2HB LYS 2 -8.893 8.724 -1.528 15 HB3 LYS 2 3HB LYS 2 -8.983 7.898 0.014 16 HG2 LYS 2 2HG LYS 2 -8.882 9.957 1.253 17 HG3 LYS 2 3HG LYS 2 -8.325 10.864 -0.139 18 HD2 LYS 2 2HD LYS 2 -10.717 9.845 -1.092 19 HD3 LYS 2 3HD LYS 2 -11.091 10.049 0.610 20 HE2 LYS 2 2HE LYS 2 -10.443 12.420 0.529 21 HE3 LYS 2 3HE LYS 2 -9.856 12.249 -1.114 22 HZ1 LYS 2 1HZ LYS 2 -11.908 12.907 -1.606 23 HZ2 LYS 2 2HZ LYS 2 -12.345 11.357 -1.340 24 HZ3 LYS 2 3HZ LYS 2 -12.547 12.475 -0.167 25 H CYS 3 H CYS 3 -6.603 6.457 0.895 26 HA CYS 3 HA CYS 3 -5.832 4.962 -1.504 27 HB2 CYS 3 2HB CYS 3 -4.636 4.400 1.193 28 HB3 CYS 3 3HB CYS 3 -4.083 3.880 -0.387 29 H ASN 4 H ASN 4 -6.476 2.684 -1.455 30 HA ASN 4 HA ASN 4 -8.918 2.323 -0.114 31 HB2 ASN 4 2HB ASN 4 -7.895 1.281 -2.382 32 HB3 ASN 4 3HB ASN 4 -7.372 0.004 -1.300 33 HD21 ASN 4 1HD2 ASN 4 -9.751 0.962 -3.317 34 HD22 ASN 4 2HD2 ASN 4 -11.109 0.080 -2.701 35 H LYS 5 H LYS 5 -9.311 0.233 1.262 36 HA LYS 5 HA LYS 5 -7.157 0.055 3.212 37 HB2 LYS 5 2HB LYS 5 -10.059 -0.823 3.330 38 HB3 LYS 5 3HB LYS 5 -8.903 -0.988 4.639 39 HG2 LYS 5 2HG LYS 5 -8.968 1.750 3.514 40 HG3 LYS 5 3HG LYS 5 -10.520 1.245 4.151 41 HD2 LYS 5 2HD LYS 5 -7.903 1.007 5.706 42 HD3 LYS 5 3HD LYS 5 -8.992 2.373 5.847 43 HE2 LYS 5 2HE LYS 5 -10.846 0.659 6.426 44 HE3 LYS 5 3HE LYS 5 -9.568 -0.532 6.571 45 HZ1 LYS 5 1HZ LYS 5 -8.568 1.375 8.057 46 HZ2 LYS 5 2HZ LYS 5 -10.150 1.724 8.267 47 HZ3 LYS 5 3HZ LYS 5 -9.581 0.245 8.660 48 H LEU 6 H LEU 6 -7.660 -2.473 4.309 49 HA LEU 6 HA LEU 6 -6.197 -4.083 2.536 50 HB2 LEU 6 2HB LEU 6 -6.499 -4.049 5.162 51 HB3 LEU 6 3HB LEU 6 -7.746 -5.230 4.815 52 HG LEU 6 HG LEU 6 -4.814 -5.452 4.083 53 HD11 LEU 6 1HD1 LEU 6 -4.481 -6.690 5.927 54 HD12 LEU 6 2HD1 LEU 6 -5.930 -5.851 6.530 55 HD13 LEU 6 3HD1 LEU 6 -6.074 -7.476 5.819 56 HD21 LEU 6 1HD2 LEU 6 -5.883 -6.565 2.338 57 HD22 LEU 6 2HD2 LEU 6 -5.540 -7.858 3.511 58 HD23 LEU 6 3HD2 LEU 6 -7.180 -7.180 3.390 59 H ILE 7 H ILE 7 -9.687 -3.935 3.441 60 HA ILE 7 HA ILE 7 -10.224 -6.002 1.457 61 HB ILE 7 HB ILE 7 -12.025 -4.681 3.491 62 HG12 ILE 7 2HG1 ILE 7 -9.974 -6.356 4.070 63 HG13 ILE 7 3HG1 ILE 7 -11.447 -6.232 5.010 64 HG21 ILE 7 1HG2 ILE 7 -12.483 -6.752 1.378 65 HG22 ILE 7 2HG2 ILE 7 -13.351 -6.884 2.927 66 HG23 ILE 7 3HG2 ILE 7 -13.531 -5.422 1.928 67 HD11 ILE 7 1HD1 ILE 7 -11.335 -8.115 2.638 68 HD12 ILE 7 2HD1 ILE 7 -10.646 -8.602 4.205 69 HD13 ILE 7 3HD1 ILE 7 -12.375 -8.195 4.080 70 HA PRO 8 HA PRO 8 -10.665 -2.797 -1.544 71 HB2 PRO 8 2HB PRO 8 -11.846 -5.229 -2.251 72 HB3 PRO 8 3HB PRO 8 -12.028 -5.092 -2.928 73 HG2 PRO 8 2HG PRO 8 -10.714 -6.322 -2.495 74 HG3 PRO 8 3HG PRO 8 -10.036 -6.417 -2.867 75 HD2 PRO 8 2HD PRO 8 -11.247 -6.108 -1.043 76 HD3 PRO 8 3HD PRO 8 -10.901 -6.584 -0.626 77 H LEU 9 H LEU 9 -12.218 -1.627 -0.006 78 HA LEU 9 HA LEU 9 -14.474 -0.890 -1.455 79 HB2 LEU 9 2HB LEU 9 -16.254 -1.949 -0.552 80 HB3 LEU 9 3HB LEU 9 -15.078 -3.248 -0.509 81 HG LEU 9 HG LEU 9 -15.636 -1.460 1.868 82 HD11 LEU 9 1HD1 LEU 9 -17.474 -3.202 0.746 83 HD12 LEU 9 2HD1 LEU 9 -16.713 -4.167 2.034 84 HD13 LEU 9 3HD1 LEU 9 -17.467 -2.602 2.422 85 HD21 LEU 9 1HD2 LEU 9 -13.851 -2.474 2.714 86 HD22 LEU 9 2HD2 LEU 9 -14.777 -3.994 2.691 87 HD23 LEU 9 3HD2 LEU 9 -13.731 -3.569 1.315 88 H ALA 10 H ALA 10 -12.790 -1.210 1.687 89 HA ALA 10 HA ALA 10 -13.905 1.333 2.553 90 HB1 ALA 10 1HB ALA 10 -13.846 -0.425 4.205 91 HB2 ALA 10 2HB ALA 10 -12.131 -0.761 3.865 92 HB3 ALA 10 3HB ALA 10 -12.601 0.767 4.647 93 H TYR 11 H TYR 11 -12.576 3.175 3.047 94 HA TYR 11 HA TYR 11 -9.814 3.045 2.138 95 HB2 TYR 11 2HB TYR 11 -10.289 5.055 0.675 96 HB3 TYR 11 3HB TYR 11 -11.236 3.675 0.158 97 HD1 TYR 11 1HD TYR 11 -13.682 3.534 0.846 98 HD2 TYR 11 2HD TYR 11 -11.335 7.073 1.371 99 HE1 TYR 11 1HE TYR 11 -15.803 4.917 1.067 100 HE2 TYR 11 2HE TYR 11 -13.464 8.444 1.591 101 HH TYR 11 HH TYR 11 -16.501 7.201 0.745 102 H LYS 12 H LYS 12 -8.648 5.159 2.644 103 HA LYS 12 HA LYS 12 -9.944 6.808 4.622 104 HB2 LYS 12 2HB LYS 12 -8.768 4.569 5.611 105 HB3 LYS 12 3HB LYS 12 -7.395 5.657 5.612 106 HG2 LYS 12 2HG LYS 12 -8.248 6.927 7.312 107 HG3 LYS 12 3HG LYS 12 -9.849 6.965 6.604 108 HD2 LYS 12 2HD LYS 12 -8.701 4.558 8.092 109 HD3 LYS 12 3HD LYS 12 -9.734 5.764 8.833 110 HE2 LYS 12 2HE LYS 12 -10.675 4.402 6.299 111 HE3 LYS 12 3HE LYS 12 -10.768 3.523 7.812 112 HZ1 LYS 12 1HZ LYS 12 -12.227 5.862 6.977 113 HZ2 LYS 12 2HZ LYS 12 -12.709 4.611 7.909 114 HZ3 LYS 12 3HZ LYS 12 -11.807 5.810 8.554 115 H THR 13 H THR 13 -8.967 8.851 4.795 116 HA THR 13 HA THR 13 -7.322 9.559 2.581 117 HB THR 13 HB THR 13 -8.286 11.070 5.066 118 HG1 THR 13 1HG THR 13 -10.077 11.277 3.758 119 HG21 THR 13 1HG2 THR 13 -8.043 13.013 3.282 120 HG22 THR 13 2HG2 THR 13 -6.603 12.505 4.196 121 HG23 THR 13 3HG2 THR 13 -6.848 11.929 2.529 122 H CYS 14 H CYS 14 -5.188 10.378 2.551 123 HA CYS 14 HA CYS 14 -3.500 8.986 4.372 124 HB2 CYS 14 2HB CYS 14 -2.716 11.034 2.295 125 HB3 CYS 14 3HB CYS 14 -1.675 9.847 3.060 126 HA PRO 15 HA PRO 15 -3.848 12.158 7.466 127 HB2 PRO 15 2HB PRO 15 -1.356 10.758 8.401 128 HB3 PRO 15 3HB PRO 15 -2.720 11.261 9.335 129 HG2 PRO 15 2HG PRO 15 -2.523 8.671 8.644 130 HG3 PRO 15 3HG PRO 15 -4.092 9.457 8.501 131 HD2 PRO 15 2HD PRO 15 -2.142 8.819 6.283 132 HD3 PRO 15 3HD PRO 15 -3.872 8.677 6.284 133 H ALA 16 H ALA 16 -2.170 13.600 8.869 134 HA ALA 16 HA ALA 16 -1.208 15.496 7.050 135 HB1 ALA 16 1HB ALA 16 -0.821 16.760 8.940 136 HB2 ALA 16 2HB ALA 16 -1.931 15.551 9.629 137 HB3 ALA 16 3HB ALA 16 -0.175 15.382 9.862 138 H GLY 17 H GLY 17 0.571 15.396 5.783 139 HA2 GLY 17 1HA GLY 17 2.916 15.317 5.598 140 HA3 GLY 17 2HA GLY 17 2.989 14.148 6.902 141 H LYS 18 H LYS 18 0.625 12.589 5.801 142 HA LYS 18 HA LYS 18 2.171 11.139 3.797 143 HB2 LYS 18 2HB LYS 18 -0.018 10.410 5.724 144 HB3 LYS 18 3HB LYS 18 0.238 9.431 4.294 145 HG2 LYS 18 2HG LYS 18 2.705 9.273 4.943 146 HG3 LYS 18 3HG LYS 18 2.303 10.077 6.448 147 HD2 LYS 18 2HD LYS 18 0.394 8.070 6.382 148 HD3 LYS 18 3HD LYS 18 1.741 7.283 5.586 149 HE2 LYS 18 2HE LYS 18 1.991 8.731 8.264 150 HE3 LYS 18 3HE LYS 18 1.686 7.011 8.123 151 HZ1 LYS 18 1HZ LYS 18 3.865 6.815 7.981 152 HZ2 LYS 18 2HZ LYS 18 3.795 7.463 6.483 153 HZ3 LYS 18 3HZ LYS 18 4.109 8.416 7.772 154 H ASN 19 H ASN 19 1.833 11.811 1.742 155 HA ASN 19 HA ASN 19 -0.953 12.286 1.028 156 HB2 ASN 19 2HB ASN 19 -0.289 14.092 -0.440 157 HB3 ASN 19 3HB ASN 19 0.531 14.387 1.081 158 HD21 ASN 19 1HD2 ASN 19 1.340 15.437 -1.369 159 HD22 ASN 19 2HD2 ASN 19 2.892 14.799 -1.800 160 H LEU 20 H LEU 20 1.202 9.975 0.912 161 HA LEU 20 HA LEU 20 0.852 9.445 -1.954 162 HB2 LEU 20 2HB LEU 20 3.301 9.332 -0.270 163 HB3 LEU 20 3HB LEU 20 3.083 8.071 -1.468 164 HG LEU 20 HG LEU 20 2.769 10.928 -2.319 165 HD11 LEU 20 1HD1 LEU 20 5.038 10.165 -0.929 166 HD12 LEU 20 2HD1 LEU 20 5.504 9.960 -2.635 167 HD13 LEU 20 3HD1 LEU 20 4.898 11.532 -2.061 168 HD21 LEU 20 1HD2 LEU 20 3.690 10.058 -4.425 169 HD22 LEU 20 2HD2 LEU 20 3.856 8.449 -3.682 170 HD23 LEU 20 3HD2 LEU 20 2.241 9.162 -3.908 171 H CYS 21 H CYS 21 0.663 7.140 -2.498 172 HA CYS 21 HA CYS 21 -0.472 5.685 -0.228 173 HB2 CYS 21 2HB CYS 21 -1.046 5.531 -3.186 174 HB3 CYS 21 3HB CYS 21 -1.615 4.334 -2.040 175 H TYR 22 H TYR 22 0.151 3.443 0.054 176 HA TYR 22 HA TYR 22 2.286 2.475 -1.681 177 HB2 TYR 22 2HB TYR 22 3.820 2.378 0.134 178 HB3 TYR 22 3HB TYR 22 2.925 3.816 0.588 179 HD1 TYR 22 1HD TYR 22 3.026 0.118 1.132 180 HD2 TYR 22 2HD TYR 22 1.826 3.928 2.664 181 HE1 TYR 22 1HE TYR 22 2.398 -0.962 3.346 182 HE2 TYR 22 2HE TYR 22 1.202 2.836 4.873 183 HH TYR 22 HH TYR 22 2.247 0.262 5.966 184 H LYS 23 H LYS 23 2.782 0.123 -1.234 185 HA LYS 23 HA LYS 23 0.656 -1.259 0.182 186 HB2 LYS 23 2HB LYS 23 0.099 -2.678 -1.713 187 HB3 LYS 23 3HB LYS 23 -0.234 -0.999 -2.085 188 HG2 LYS 23 2HG LYS 23 1.994 -0.851 -3.264 189 HG3 LYS 23 3HG LYS 23 2.249 -2.557 -2.948 190 HD2 LYS 23 2HD LYS 23 1.362 -2.429 -5.179 191 HD3 LYS 23 3HD LYS 23 0.051 -3.021 -4.177 192 HE2 LYS 23 2HE LYS 23 -0.725 -0.567 -3.959 193 HE3 LYS 23 3HE LYS 23 0.440 -0.177 -5.207 194 HZ1 LYS 23 1HZ LYS 23 -1.692 -0.617 -6.155 195 HZ2 LYS 23 2HZ LYS 23 -0.660 -1.789 -6.631 196 HZ3 LYS 23 3HZ LYS 23 -1.766 -2.098 -5.471 197 H MET 24 H MET 24 1.402 -3.073 1.218 198 HA MET 24 HA MET 24 4.209 -3.656 0.727 199 HB2 MET 24 2HB MET 24 2.627 -3.259 3.080 200 HB3 MET 24 3HB MET 24 3.005 -4.971 3.065 201 HG2 MET 24 2HG MET 24 5.462 -4.299 2.641 202 HG3 MET 24 3HG MET 24 4.983 -2.649 2.984 203 HE1 MET 24 1HE MET 24 5.062 -6.194 3.977 204 HE2 MET 24 2HE MET 24 5.279 -6.222 5.744 205 HE3 MET 24 3HE MET 24 3.647 -6.071 5.050 206 H PHE 25 H PHE 25 4.660 -5.438 -0.487 207 HA PHE 25 HA PHE 25 2.670 -7.594 -0.449 208 HB2 PHE 25 2HB PHE 25 4.649 -6.432 -2.464 209 HB3 PHE 25 3HB PHE 25 4.133 -8.095 -2.657 210 HD1 PHE 25 1HD PHE 25 2.137 -5.155 -1.546 211 HD2 PHE 25 2HD PHE 25 2.800 -8.066 -4.563 212 HE1 PHE 25 1HE PHE 25 0.076 -4.377 -2.749 213 HE2 PHE 25 2HE PHE 25 0.738 -7.288 -5.766 214 HZ PHE 25 HZ PHE 25 -0.599 -5.453 -4.845 215 H MET 26 H MET 26 3.378 -9.777 -0.248 216 HA MET 26 HA MET 26 6.110 -9.963 0.763 217 HB2 MET 26 2HB MET 26 3.610 -11.636 1.374 218 HB3 MET 26 3HB MET 26 5.198 -11.980 2.031 219 HG2 MET 26 2HG MET 26 4.100 -9.192 2.399 220 HG3 MET 26 3HG MET 26 3.412 -10.477 3.374 221 HE1 MET 26 1HE MET 26 5.528 -10.648 6.209 222 HE2 MET 26 2HE MET 26 4.704 -9.121 5.807 223 HE3 MET 26 3HE MET 26 3.948 -10.678 5.390 224 H VAL 27 H VAL 27 7.463 -11.673 0.045 225 HA VAL 27 HA VAL 27 7.262 -12.471 -2.539 226 HB VAL 27 HB VAL 27 9.111 -12.670 -0.661 227 HG11 VAL 27 1HG1 VAL 27 7.940 -15.470 -0.771 228 HG12 VAL 27 2HG1 VAL 27 9.529 -15.054 -0.083 229 HG13 VAL 27 3HG1 VAL 27 8.043 -14.407 0.652 230 HG21 VAL 27 1HG2 VAL 27 9.572 -12.859 -3.028 231 HG22 VAL 27 2HG2 VAL 27 10.382 -14.192 -2.172 232 HG23 VAL 27 3HG2 VAL 27 8.878 -14.498 -3.075 233 H SER 28 H SER 28 5.830 -13.986 0.378 234 HA SER 28 HA SER 28 5.163 -16.406 -0.505 235 HB2 SER 28 2HB SER 28 3.222 -14.558 0.950 236 HB3 SER 28 3HB SER 28 3.222 -16.310 0.996 237 HG SER 28 HG SER 28 5.191 -16.304 2.140 238 H ASN 29 H ASN 29 3.673 -13.279 -1.440 239 HA ASN 29 HA ASN 29 2.637 -14.502 -3.777 240 HB2 ASN 29 2HB ASN 29 0.853 -14.925 -1.947 241 HB3 ASN 29 3HB ASN 29 0.624 -13.189 -1.884 242 HD21 ASN 29 1HD2 ASN 29 -0.896 -15.700 -2.879 243 HD22 ASN 29 2HD2 ASN 29 -1.553 -15.223 -4.409 244 H LYS 30 H LYS 30 3.969 -12.858 -4.796 245 HA LYS 30 HA LYS 30 3.709 -10.122 -4.025 246 HB2 LYS 30 2HB LYS 30 5.476 -11.732 -5.617 247 HB3 LYS 30 3HB LYS 30 4.933 -10.374 -6.582 248 HG2 LYS 30 2HG LYS 30 5.507 -8.850 -4.610 249 HG3 LYS 30 3HG LYS 30 6.220 -10.240 -3.817 250 HD2 LYS 30 2HD LYS 30 7.192 -9.993 -6.577 251 HD3 LYS 30 3HD LYS 30 7.482 -8.518 -5.675 252 HE2 LYS 30 2HE LYS 30 8.665 -9.752 -3.912 253 HE3 LYS 30 3HE LYS 30 8.236 -11.289 -4.635 254 HZ1 LYS 30 1HZ LYS 30 10.250 -11.003 -5.547 255 HZ2 LYS 30 2HZ LYS 30 9.420 -10.160 -6.673 256 HZ3 LYS 30 3HZ LYS 30 10.214 -9.371 -5.484 257 H THR 31 H THR 31 1.594 -12.193 -5.530 258 HA THR 31 HA THR 31 0.661 -10.201 -7.464 259 HB THR 31 HB THR 31 0.006 -13.151 -6.960 260 HG1 THR 31 1HG THR 31 1.324 -11.537 -9.031 261 HG21 THR 31 1HG2 THR 31 -1.967 -12.523 -8.048 262 HG22 THR 31 2HG2 THR 31 -1.232 -11.060 -8.745 263 HG23 THR 31 3HG2 THR 31 -0.899 -12.653 -9.467 264 H VAL 32 H VAL 32 0.266 -10.994 -4.205 265 HA VAL 32 HA VAL 32 -2.283 -9.574 -4.213 266 HB VAL 32 HB VAL 32 -1.749 -12.225 -2.861 267 HG11 VAL 32 1HG1 VAL 32 -3.176 -10.158 -1.745 268 HG12 VAL 32 2HG1 VAL 32 -4.442 -11.060 -2.612 269 HG13 VAL 32 3HG1 VAL 32 -3.430 -11.886 -1.404 270 HG21 VAL 32 1HG2 VAL 32 -4.147 -12.414 -4.194 271 HG22 VAL 32 2HG2 VAL 32 -3.188 -11.390 -5.289 272 HG23 VAL 32 3HG2 VAL 32 -2.579 -12.993 -4.806 273 HA PRO 33 HA PRO 33 -0.011 -7.378 -1.211 274 HB2 PRO 33 2HB PRO 33 -2.010 -5.770 -0.253 275 HB3 PRO 33 3HB PRO 33 -1.236 -5.519 -1.776 276 HG2 PRO 33 2HG PRO 33 -3.911 -6.864 -1.197 277 HG3 PRO 33 3HG PRO 33 -3.477 -5.767 -2.506 278 HD2 PRO 33 2HD PRO 33 -3.591 -8.483 -2.895 279 HD3 PRO 33 3HD PRO 33 -2.563 -7.440 -3.829 280 H VAL 34 H VAL 34 0.416 -6.922 1.032 281 HA VAL 34 HA VAL 34 -0.974 -8.815 2.800 282 HB VAL 34 HB VAL 34 1.593 -8.946 2.110 283 HG11 VAL 34 1HG1 VAL 34 1.778 -6.526 3.163 284 HG12 VAL 34 2HG1 VAL 34 1.917 -7.441 4.684 285 HG13 VAL 34 3HG1 VAL 34 3.083 -7.720 3.369 286 HG21 VAL 34 1HG2 VAL 34 1.881 -9.771 4.663 287 HG22 VAL 34 2HG2 VAL 34 0.107 -9.652 4.588 288 HG23 VAL 34 3HG2 VAL 34 0.978 -10.689 3.433 289 H LYS 35 H LYS 35 0.138 -5.495 2.213 290 HA LYS 35 HA LYS 35 -1.609 -4.600 4.322 291 HB2 LYS 35 2HB LYS 35 1.388 -4.292 4.487 292 HB3 LYS 35 3HB LYS 35 0.314 -3.128 5.235 293 HG2 LYS 35 2HG LYS 35 -0.846 -5.092 6.404 294 HG3 LYS 35 3HG LYS 35 0.429 -6.127 5.791 295 HD2 LYS 35 2HD LYS 35 1.706 -5.541 7.569 296 HD3 LYS 35 3HD LYS 35 1.772 -3.905 6.947 297 HE2 LYS 35 2HE LYS 35 -0.674 -4.779 8.502 298 HE3 LYS 35 3HE LYS 35 0.793 -4.389 9.379 299 HZ1 LYS 35 1HZ LYS 35 0.798 -2.264 8.147 300 HZ2 LYS 35 2HZ LYS 35 -0.675 -2.631 7.545 301 HZ3 LYS 35 3HZ LYS 35 -0.476 -2.438 9.155 302 H ARG 36 H ARG 36 -2.221 -2.378 4.058 303 HA ARG 36 HA ARG 36 -1.072 -1.076 1.756 304 HB2 ARG 36 2HB ARG 36 -3.967 -1.938 2.038 305 HB3 ARG 36 3HB ARG 36 -3.603 -0.470 1.155 306 HG2 ARG 36 2HG ARG 36 -2.148 -1.687 -0.399 307 HG3 ARG 36 3HG ARG 36 -2.275 -3.151 0.554 308 HD2 ARG 36 2HD ARG 36 -4.890 -1.993 -0.303 309 HD3 ARG 36 3HD ARG 36 -3.878 -2.565 -1.614 310 HE ARG 36 HE ARG 36 -3.810 -4.592 0.345 311 HH11 ARG 36 1HH1 ARG 36 -6.658 -6.365 -0.616 312 HH12 ARG 36 2HH1 ARG 36 -5.169 -6.428 0.267 313 HH21 ARG 36 1HH2 ARG 36 -7.272 -4.419 -1.719 314 HH22 ARG 36 2HH2 ARG 36 -6.243 -3.027 -1.660 315 H GLY 37 H GLY 37 -1.105 1.216 1.945 316 HA2 GLY 37 1HA GLY 37 -2.854 2.632 3.651 317 HA3 GLY 37 2HA GLY 37 -1.346 2.325 4.490 318 H CYS 38 H CYS 38 -1.314 4.808 4.371 319 HA CYS 38 HA CYS 38 -0.356 5.686 1.753 320 HB2 CYS 38 2HB CYS 38 -1.344 7.300 4.111 321 HB3 CYS 38 3HB CYS 38 -0.739 7.976 2.610 322 H ILE 39 H ILE 39 1.541 7.295 1.877 323 HA ILE 39 HA ILE 39 3.186 6.989 4.243 324 HB ILE 39 HB ILE 39 3.560 5.070 2.525 325 HG12 ILE 39 2HG1 ILE 39 5.996 6.583 3.482 326 HG13 ILE 39 3HG1 ILE 39 4.923 5.744 4.585 327 HG21 ILE 39 1HG2 ILE 39 3.912 7.106 0.762 328 HG22 ILE 39 2HG2 ILE 39 5.594 6.784 1.245 329 HG23 ILE 39 3HG2 ILE 39 4.595 5.474 0.572 330 HD11 ILE 39 1HD1 ILE 39 5.407 3.893 2.492 331 HD12 ILE 39 2HD1 ILE 39 6.983 4.645 2.843 332 HD13 ILE 39 3HD1 ILE 39 6.070 3.843 4.143 333 H ASP 40 H ASP 40 5.039 8.522 4.220 334 HA ASP 40 HA ASP 40 4.163 10.945 3.009 335 HB2 ASP 40 2HB ASP 40 5.041 11.045 5.268 336 HB3 ASP 40 3HB ASP 40 6.501 10.190 4.809 337 HD2 ASP 40 HD ASP 40 8.111 12.034 3.327 338 H ALA 41 H ALA 41 7.059 8.749 2.930 339 HA ALA 41 HA ALA 41 7.779 9.971 0.353 340 HB1 ALA 41 1HB ALA 41 9.301 9.644 2.816 341 HB2 ALA 41 2HB ALA 41 10.084 8.795 1.462 342 HB3 ALA 41 3HB ALA 41 9.724 10.533 1.333 343 H CYS 42 H CYS 42 8.174 8.562 -1.350 344 HA CYS 42 HA CYS 42 7.032 6.053 -1.233 345 HB2 CYS 42 2HB CYS 42 7.380 7.393 -3.278 346 HB3 CYS 42 3HB CYS 42 9.100 7.066 -3.196 347 HA PRO 43 HA PRO 43 10.318 4.108 1.035 348 HB2 PRO 43 2HB PRO 43 9.184 1.611 1.189 349 HB3 PRO 43 3HB PRO 43 8.742 2.930 2.215 350 HG2 PRO 43 2HG PRO 43 7.341 1.914 -0.294 351 HG3 PRO 43 3HG PRO 43 6.639 2.478 1.220 352 HD2 PRO 43 2HD PRO 43 6.745 4.104 -0.981 353 HD3 PRO 43 3HD PRO 43 6.769 4.724 0.639 354 H LYS 44 H LYS 44 11.549 1.845 1.050 355 HA LYS 44 HA LYS 44 12.579 1.576 -1.673 356 HB2 LYS 44 2HB LYS 44 14.593 0.673 -0.593 357 HB3 LYS 44 3HB LYS 44 14.211 2.288 -0.033 358 HG2 LYS 44 2HG LYS 44 13.966 1.575 2.112 359 HG3 LYS 44 3HG LYS 44 12.854 0.310 1.633 360 HD2 LYS 44 2HD LYS 44 15.588 -0.346 0.803 361 HD3 LYS 44 3HD LYS 44 15.526 -0.018 2.523 362 HE2 LYS 44 2HE LYS 44 13.733 -1.681 2.831 363 HE3 LYS 44 3HE LYS 44 13.613 -1.929 1.102 364 HZ1 LYS 44 1HZ LYS 44 15.878 -2.733 1.119 365 HZ2 LYS 44 2HZ LYS 44 15.988 -2.506 2.733 366 HZ3 LYS 44 3HZ LYS 44 14.950 -3.615 2.133 367 H ASN 45 H ASN 45 12.482 -0.341 -2.791 368 HA ASN 45 HA ASN 45 10.662 -2.248 -1.785 369 HB2 ASN 45 2HB ASN 45 11.049 -3.399 -3.942 370 HB3 ASN 45 3HB ASN 45 10.871 -1.679 -4.223 371 HD21 ASN 45 1HD2 ASN 45 12.447 -0.556 -5.158 372 HD22 ASN 45 2HD2 ASN 45 14.009 -1.164 -5.596 373 H SER 46 H SER 46 11.180 -4.578 -1.420 374 HA SER 46 HA SER 46 14.013 -4.998 -0.872 375 HB2 SER 46 2HB SER 46 11.904 -6.377 0.789 376 HB3 SER 46 3HB SER 46 13.563 -5.989 1.208 377 HG SER 46 HG SER 46 12.252 -4.542 2.340 378 H LEU 47 H LEU 47 14.309 -7.587 -0.477 379 HA LEU 47 HA LEU 47 13.362 -8.765 -2.927 380 HB2 LEU 47 2HB LEU 47 14.828 -10.660 -2.173 381 HB3 LEU 47 3HB LEU 47 15.619 -9.132 -2.499 382 HG LEU 47 HG LEU 47 14.900 -9.299 0.301 383 HD11 LEU 47 1HD1 LEU 47 16.517 -11.601 -0.817 384 HD12 LEU 47 2HD1 LEU 47 16.503 -11.124 0.898 385 HD13 LEU 47 3HD1 LEU 47 15.004 -11.681 0.118 386 HD21 LEU 47 1HD2 LEU 47 17.621 -9.267 0.207 387 HD22 LEU 47 2HD2 LEU 47 17.210 -8.623 -1.401 388 HD23 LEU 47 3HD2 LEU 47 16.581 -7.830 0.063 389 H LEU 48 H LEU 48 12.825 -9.043 0.602 390 HA LEU 48 HA LEU 48 11.107 -11.332 0.225 391 HB2 LEU 48 2HB LEU 48 12.650 -11.062 2.157 392 HB3 LEU 48 3HB LEU 48 11.685 -9.705 2.704 393 HG LEU 48 HG LEU 48 9.957 -11.969 2.280 394 HD11 LEU 48 1HD1 LEU 48 10.834 -13.548 3.883 395 HD12 LEU 48 2HD1 LEU 48 12.026 -13.296 2.584 396 HD13 LEU 48 3HD1 LEU 48 12.260 -12.521 4.170 397 HD21 LEU 48 1HD2 LEU 48 10.544 -11.125 5.041 398 HD22 LEU 48 2HD2 LEU 48 10.086 -9.807 3.936 399 HD23 LEU 48 3HD2 LEU 48 9.000 -11.200 4.157 400 H VAL 49 H VAL 49 10.777 -7.895 1.353 401 HA VAL 49 HA VAL 49 7.928 -8.120 0.676 402 HB VAL 49 HB VAL 49 8.329 -7.700 3.018 403 HG11 VAL 49 1HG1 VAL 49 9.373 -5.128 3.218 404 HG12 VAL 49 2HG1 VAL 49 10.217 -6.648 3.601 405 HG13 VAL 49 3HG1 VAL 49 10.397 -5.912 1.990 406 HG21 VAL 49 1HG2 VAL 49 7.399 -5.166 1.625 407 HG22 VAL 49 2HG2 VAL 49 6.400 -6.604 1.940 408 HG23 VAL 49 3HG2 VAL 49 7.034 -5.646 3.299 409 H LYS 50 H LYS 50 7.209 -6.998 -1.063 410 HA LYS 50 HA LYS 50 9.069 -5.041 -2.198 411 HB2 LYS 50 2HB LYS 50 8.212 -7.153 -3.464 412 HB3 LYS 50 3HB LYS 50 6.724 -6.248 -3.652 413 HG2 LYS 50 2HG LYS 50 9.201 -4.709 -4.278 414 HG3 LYS 50 3HG LYS 50 8.891 -6.059 -5.351 415 HD2 LYS 50 2HD LYS 50 6.375 -4.980 -5.230 416 HD3 LYS 50 3HD LYS 50 7.329 -3.533 -4.974 417 HE2 LYS 50 2HE LYS 50 7.413 -3.480 -7.268 418 HE3 LYS 50 3HE LYS 50 8.724 -4.625 -7.058 419 HZ1 LYS 50 1HZ LYS 50 5.992 -5.620 -7.174 420 HZ2 LYS 50 2HZ LYS 50 6.744 -5.201 -8.563 421 HZ3 LYS 50 3HZ LYS 50 7.379 -6.364 -7.609 422 H TYR 51 H TYR 51 8.598 -2.909 -2.099 423 HA TYR 51 HA TYR 51 5.888 -2.215 -1.212 424 HB2 TYR 51 2HB TYR 51 8.618 -0.781 -1.226 425 HB3 TYR 51 3HB TYR 51 7.155 -0.064 -0.582 426 HD1 TYR 51 1HD TYR 51 6.223 -0.798 1.556 427 HD2 TYR 51 2HD TYR 51 9.769 -2.590 -0.028 428 HE1 TYR 51 1HE TYR 51 6.718 -1.837 3.823 429 HE2 TYR 51 2HE TYR 51 10.253 -3.624 2.244 430 HH TYR 51 HH TYR 51 9.734 -3.557 4.396 431 H VAL 52 H VAL 52 4.545 -1.027 -2.501 432 HA VAL 52 HA VAL 52 5.768 0.215 -4.864 433 HB VAL 52 HB VAL 52 3.304 -1.506 -4.643 434 HG11 VAL 52 1HG1 VAL 52 4.070 0.166 -7.055 435 HG12 VAL 52 2HG1 VAL 52 2.623 -0.850 -6.845 436 HG13 VAL 52 3HG1 VAL 52 2.816 0.633 -5.881 437 HG21 VAL 52 1HG2 VAL 52 4.579 -3.072 -5.587 438 HG22 VAL 52 2HG2 VAL 52 4.948 -1.988 -6.949 439 HG23 VAL 52 3HG2 VAL 52 5.973 -1.969 -5.494 440 H CYS 53 H CYS 53 5.372 2.365 -5.001 441 HA CYS 53 HA CYS 53 3.229 3.384 -3.293 442 HB2 CYS 53 2HB CYS 53 4.403 5.420 -3.113 443 HB3 CYS 53 3HB CYS 53 5.550 4.133 -2.795 444 H CYS 54 H CYS 54 1.933 5.212 -4.218 445 HA CYS 54 HA CYS 54 2.122 5.548 -7.075 446 HB2 CYS 54 2HB CYS 54 -0.499 5.127 -7.066 447 HB3 CYS 54 3HB CYS 54 0.668 3.874 -7.442 448 H ASN 55 H ASN 55 0.750 7.424 -7.771 449 HA ASN 55 HA ASN 55 0.131 9.103 -5.467 450 HB2 ASN 55 2HB ASN 55 0.643 11.051 -6.980 451 HB3 ASN 55 3HB ASN 55 2.032 10.005 -6.754 452 HD21 ASN 55 1HD2 ASN 55 0.782 11.832 -8.947 453 HD22 ASN 55 2HD2 ASN 55 0.997 10.935 -10.412 454 H THR 56 H THR 56 -1.706 7.181 -6.693 455 HA THR 56 HA THR 56 -3.597 9.029 -7.995 456 HB THR 56 HB THR 56 -4.390 6.631 -8.943 457 HG1 THR 56 1HG THR 56 -2.562 5.231 -8.986 458 HG21 THR 56 1HG2 THR 56 -3.693 8.181 -10.613 459 HG22 THR 56 2HG2 THR 56 -2.083 8.379 -9.882 460 HG23 THR 56 3HG2 THR 56 -2.486 6.882 -10.757 461 H ASP 57 H ASP 57 -5.935 8.282 -7.732 462 HA ASP 57 HA ASP 57 -6.325 7.998 -4.939 463 HB2 ASP 57 2HB ASP 57 -8.530 8.636 -5.374 464 HB3 ASP 57 3HB ASP 57 -7.707 9.343 -6.748 465 HD2 ASP 57 HD ASP 57 -10.104 7.384 -5.795 466 H ARG 58 H ARG 58 -7.299 6.164 -3.864 467 HA ARG 58 HA ARG 58 -7.401 4.006 -3.514 468 HB2 ARG 58 2HB ARG 58 -9.451 4.735 -5.543 469 HB3 ARG 58 3HB ARG 58 -9.145 3.012 -5.453 470 HG2 ARG 58 2HG ARG 58 -10.240 2.835 -3.471 471 HG3 ARG 58 3HG ARG 58 -9.303 4.134 -2.762 472 HD2 ARG 58 2HD ARG 58 -11.417 5.112 -2.714 473 HD3 ARG 58 3HD ARG 58 -10.874 5.681 -4.280 474 HE ARG 58 HE ARG 58 -12.044 3.276 -4.919 475 HH11 ARG 58 1HH1 ARG 58 -15.452 4.019 -4.782 476 HH12 ARG 58 2HH1 ARG 58 -14.250 2.947 -5.420 477 HH21 ARG 58 1HH2 ARG 58 -14.822 5.789 -3.419 478 HH22 ARG 58 2HH2 ARG 58 -13.151 6.038 -3.040 479 H CYS 59 H CYS 59 -5.091 4.601 -5.097 480 HA CYS 59 HA CYS 59 -4.928 3.037 -7.406 481 HB2 CYS 59 2HB CYS 59 -2.542 3.358 -7.257 482 HB3 CYS 59 3HB CYS 59 -3.391 4.860 -6.943 483 H ASN 60 H ASN 60 -3.981 2.487 -3.943 484 HA ASN 60 HA ASN 60 -3.557 -0.302 -4.613 485 HB2 ASN 60 2HB ASN 60 -2.358 -0.456 -2.491 486 HB3 ASN 60 3HB ASN 60 -1.795 0.988 -3.304 487 HD21 ASN 60 1HD2 ASN 60 -4.148 -0.203 -0.941 488 HD22 ASN 60 2HD2 ASN 60 -4.204 1.210 0.059 Start of MODEL 2 1 H1 LEU 1 H LEU 1 -4.744 13.512 -0.576 2 HA LEU 1 HA LEU 1 -6.029 11.836 -2.507 3 HB2 LEU 1 2HB LEU 1 -3.542 12.584 -2.286 4 HB3 LEU 1 3HB LEU 1 -3.413 11.238 -1.171 5 HG LEU 1 HG LEU 1 -4.560 9.930 -3.206 6 HD11 LEU 1 1HD1 LEU 1 -4.079 10.714 -5.333 7 HD12 LEU 1 2HD1 LEU 1 -4.575 12.193 -4.477 8 HD13 LEU 1 3HD1 LEU 1 -2.848 11.860 -4.750 9 HD21 LEU 1 1HD2 LEU 1 -2.313 9.599 -2.003 10 HD22 LEU 1 2HD2 LEU 1 -2.470 8.995 -3.670 11 HD23 LEU 1 3HD2 LEU 1 -1.608 10.520 -3.353 12 H LYS 2 H LYS 2 -6.718 9.685 -2.263 13 HA LYS 2 HA LYS 2 -6.823 8.760 0.521 14 HB2 LYS 2 2HB LYS 2 -9.040 8.747 -1.544 15 HB3 LYS 2 3HB LYS 2 -9.084 7.801 -0.071 16 HG2 LYS 2 2HG LYS 2 -9.163 9.722 1.322 17 HG3 LYS 2 3HG LYS 2 -8.501 10.771 0.084 18 HD2 LYS 2 2HD LYS 2 -10.813 11.330 0.142 19 HD3 LYS 2 3HD LYS 2 -10.657 10.302 -1.270 20 HE2 LYS 2 2HE LYS 2 -11.462 8.346 0.010 21 HE3 LYS 2 3HE LYS 2 -11.499 9.288 1.489 22 HZ1 LYS 2 1HZ LYS 2 -13.622 9.020 0.134 23 HZ2 LYS 2 2HZ LYS 2 -13.282 10.497 0.742 24 HZ3 LYS 2 3HZ LYS 2 -13.013 10.183 -0.838 25 H CYS 3 H CYS 3 -6.617 6.492 0.835 26 HA CYS 3 HA CYS 3 -5.841 5.047 -1.591 27 HB2 CYS 3 2HB CYS 3 -4.508 4.571 1.058 28 HB3 CYS 3 3HB CYS 3 -3.999 4.051 -0.534 29 H ASN 4 H ASN 4 -6.359 2.739 -1.521 30 HA ASN 4 HA ASN 4 -8.732 2.241 -0.124 31 HB2 ASN 4 2HB ASN 4 -7.655 1.209 -2.376 32 HB3 ASN 4 3HB ASN 4 -7.058 -0.008 -1.264 33 HD21 ASN 4 1HD2 ASN 4 -9.552 0.880 -3.235 34 HD22 ASN 4 2HD2 ASN 4 -10.835 -0.103 -2.612 35 H LYS 5 H LYS 5 -8.981 0.177 1.315 36 HA LYS 5 HA LYS 5 -6.776 0.161 3.222 37 HB2 LYS 5 2HB LYS 5 -9.644 -0.798 3.452 38 HB3 LYS 5 3HB LYS 5 -8.449 -0.895 4.730 39 HG2 LYS 5 2HG LYS 5 -8.618 1.806 3.534 40 HG3 LYS 5 3HG LYS 5 -10.140 1.280 4.223 41 HD2 LYS 5 2HD LYS 5 -7.479 1.158 5.718 42 HD3 LYS 5 3HD LYS 5 -8.607 2.493 5.852 43 HE2 LYS 5 2HE LYS 5 -10.359 0.990 6.727 44 HE3 LYS 5 3HE LYS 5 -9.334 -0.410 6.470 45 HZ1 LYS 5 1HZ LYS 5 -9.204 0.288 8.726 46 HZ2 LYS 5 2HZ LYS 5 -7.755 0.574 8.029 47 HZ3 LYS 5 3HZ LYS 5 -8.783 1.811 8.313 48 H LEU 6 H LEU 6 -7.190 -2.349 4.418 49 HA LEU 6 HA LEU 6 -5.682 -3.969 2.713 50 HB2 LEU 6 2HB LEU 6 -6.062 -3.891 5.329 51 HB3 LEU 6 3HB LEU 6 -7.265 -5.114 4.968 52 HG LEU 6 HG LEU 6 -4.313 -5.272 4.297 53 HD11 LEU 6 1HD1 LEU 6 -5.858 -6.964 6.270 54 HD12 LEU 6 2HD1 LEU 6 -4.096 -6.859 6.038 55 HD13 LEU 6 3HD1 LEU 6 -4.987 -5.482 6.729 56 HD21 LEU 6 1HD2 LEU 6 -6.513 -7.308 3.848 57 HD22 LEU 6 2HD2 LEU 6 -5.635 -6.400 2.594 58 HD23 LEU 6 3HD2 LEU 6 -4.772 -7.582 3.605 59 H ILE 7 H ILE 7 -9.198 -3.823 3.467 60 HA ILE 7 HA ILE 7 -9.628 -5.941 1.500 61 HB ILE 7 HB ILE 7 -11.463 -4.709 3.557 62 HG12 ILE 7 2HG1 ILE 7 -9.871 -7.274 3.478 63 HG13 ILE 7 3HG1 ILE 7 -9.853 -6.016 4.698 64 HG21 ILE 7 1HG2 ILE 7 -12.161 -7.241 2.162 65 HG22 ILE 7 2HG2 ILE 7 -13.204 -5.942 2.787 66 HG23 ILE 7 3HG2 ILE 7 -12.342 -5.728 1.244 67 HD11 ILE 7 1HD1 ILE 7 -12.291 -6.551 5.194 68 HD12 ILE 7 2HD1 ILE 7 -12.141 -7.940 4.092 69 HD13 ILE 7 3HD1 ILE 7 -11.155 -7.869 5.571 70 HA PRO 8 HA PRO 8 -10.367 -2.842 -1.496 71 HB2 PRO 8 2HB PRO 8 -11.589 -4.490 -3.363 72 HB3 PRO 8 3HB PRO 8 -9.881 -4.325 -3.166 73 HG2 PRO 8 2HG PRO 8 -11.729 -6.470 -2.032 74 HG3 PRO 8 3HG PRO 8 -10.122 -6.646 -2.733 75 HD2 PRO 8 2HD PRO 8 -10.416 -6.668 -0.037 76 HD3 PRO 8 3HD PRO 8 -9.008 -5.979 -0.784 77 H LEU 9 H LEU 9 -11.978 -1.790 0.118 78 HA LEU 9 HA LEU 9 -14.247 -1.082 -1.331 79 HB2 LEU 9 2HB LEU 9 -15.997 -2.227 -0.464 80 HB3 LEU 9 3HB LEU 9 -14.778 -3.489 -0.481 81 HG LEU 9 HG LEU 9 -15.520 -1.836 1.950 82 HD11 LEU 9 1HD1 LEU 9 -17.154 -3.268 2.446 83 HD12 LEU 9 2HD1 LEU 9 -17.040 -3.822 0.759 84 HD13 LEU 9 3HD1 LEU 9 -16.153 -4.682 2.040 85 HD21 LEU 9 1HD2 LEU 9 -14.267 -4.253 2.684 86 HD22 LEU 9 2HD2 LEU 9 -13.273 -3.543 1.390 87 HD23 LEU 9 3HD2 LEU 9 -13.642 -2.595 2.851 88 H ALA 10 H ALA 10 -12.508 -1.410 1.767 89 HA ALA 10 HA ALA 10 -13.728 1.073 2.698 90 HB1 ALA 10 1HB ALA 10 -12.060 0.292 4.692 91 HB2 ALA 10 2HB ALA 10 -13.728 -0.304 4.522 92 HB3 ALA 10 3HB ALA 10 -12.368 -1.281 3.918 93 H TYR 11 H TYR 11 -12.639 3.007 2.734 94 HA TYR 11 HA TYR 11 -9.770 2.905 2.109 95 HB2 TYR 11 2HB TYR 11 -10.278 4.911 0.627 96 HB3 TYR 11 3HB TYR 11 -11.119 3.477 0.078 97 HD1 TYR 11 1HD TYR 11 -11.504 6.765 1.689 98 HD2 TYR 11 2HD TYR 11 -13.545 3.296 0.240 99 HE1 TYR 11 1HE TYR 11 -13.718 8.009 1.807 100 HE2 TYR 11 2HE TYR 11 -15.751 4.551 0.362 101 HH TYR 11 HH TYR 11 -16.048 7.519 2.002 102 H LYS 12 H LYS 12 -8.696 5.096 2.580 103 HA LYS 12 HA LYS 12 -10.079 6.708 4.525 104 HB2 LYS 12 2HB LYS 12 -9.300 4.857 5.922 105 HB3 LYS 12 3HB LYS 12 -7.665 5.057 5.327 106 HG2 LYS 12 2HG LYS 12 -8.155 7.618 6.151 107 HG3 LYS 12 3HG LYS 12 -9.203 6.755 7.258 108 HD2 LYS 12 2HD LYS 12 -7.022 6.967 8.312 109 HD3 LYS 12 3HD LYS 12 -7.257 5.280 7.901 110 HE2 LYS 12 2HE LYS 12 -6.071 6.239 5.586 111 HE3 LYS 12 3HE LYS 12 -5.304 7.241 6.802 112 HZ1 LYS 12 1HZ LYS 12 -4.487 5.377 7.886 113 HZ2 LYS 12 2HZ LYS 12 -5.494 4.339 7.129 114 HZ3 LYS 12 3HZ LYS 12 -4.262 5.027 6.307 115 H THR 13 H THR 13 -9.152 8.785 4.724 116 HA THR 13 HA THR 13 -7.557 9.561 2.503 117 HB THR 13 HB THR 13 -8.585 10.965 5.021 118 HG1 THR 13 1HG THR 13 -10.101 11.705 3.377 119 HG21 THR 13 1HG2 THR 13 -8.133 13.077 3.766 120 HG22 THR 13 2HG2 THR 13 -6.614 12.215 4.110 121 HG23 THR 13 3HG2 THR 13 -7.331 12.140 2.482 122 H CYS 14 H CYS 14 -5.444 10.438 2.448 123 HA CYS 14 HA CYS 14 -3.681 9.041 4.189 124 HB2 CYS 14 2HB CYS 14 -2.937 11.195 2.215 125 HB3 CYS 14 3HB CYS 14 -1.918 9.918 2.852 126 HA PRO 15 HA PRO 15 -4.053 12.103 7.392 127 HB2 PRO 15 2HB PRO 15 -1.518 10.730 8.245 128 HB3 PRO 15 3HB PRO 15 -2.880 11.170 9.212 129 HG2 PRO 15 2HG PRO 15 -2.636 8.609 8.432 130 HG3 PRO 15 3HG PRO 15 -4.224 9.363 8.336 131 HD2 PRO 15 2HD PRO 15 -2.290 8.845 6.074 132 HD3 PRO 15 3HD PRO 15 -4.015 8.659 6.094 133 H ALA 16 H ALA 16 -2.363 13.519 8.821 134 HA ALA 16 HA ALA 16 -1.452 15.481 7.025 135 HB1 ALA 16 1HB ALA 16 -0.290 15.635 9.697 136 HB2 ALA 16 2HB ALA 16 -1.478 16.706 8.913 137 HB3 ALA 16 3HB ALA 16 -2.025 15.242 9.766 138 H GLY 17 H GLY 17 0.323 15.374 5.752 139 HA2 GLY 17 1HA GLY 17 2.689 15.371 5.629 140 HA3 GLY 17 2HA GLY 17 2.755 14.167 6.901 141 H LYS 18 H LYS 18 0.442 12.596 5.727 142 HA LYS 18 HA LYS 18 2.034 11.244 3.689 143 HB2 LYS 18 2HB LYS 18 -0.172 10.385 5.552 144 HB3 LYS 18 3HB LYS 18 0.212 9.439 4.128 145 HG2 LYS 18 2HG LYS 18 2.443 8.999 4.867 146 HG3 LYS 18 3HG LYS 18 2.413 10.306 6.035 147 HD2 LYS 18 2HD LYS 18 0.261 8.703 6.842 148 HD3 LYS 18 3HD LYS 18 1.443 7.525 6.305 149 HE2 LYS 18 2HE LYS 18 2.609 9.711 7.947 150 HE3 LYS 18 3HE LYS 18 1.424 8.744 8.805 151 HZ1 LYS 18 1HZ LYS 18 3.736 7.901 8.864 152 HZ2 LYS 18 2HZ LYS 18 2.640 6.807 8.346 153 HZ3 LYS 18 3HZ LYS 18 3.622 7.550 7.273 154 H ASN 19 H ASN 19 1.674 11.977 1.658 155 HA ASN 19 HA ASN 19 -1.125 12.420 0.971 156 HB2 ASN 19 2HB ASN 19 -0.460 14.228 -0.513 157 HB3 ASN 19 3HB ASN 19 0.327 14.530 1.025 158 HD21 ASN 19 1HD2 ASN 19 2.522 14.265 1.261 159 HD22 ASN 19 2HD2 ASN 19 3.618 14.107 -0.071 160 H LEU 20 H LEU 20 1.205 10.203 0.773 161 HA LEU 20 HA LEU 20 0.782 9.682 -2.088 162 HB2 LEU 20 2HB LEU 20 3.221 9.560 -0.398 163 HB3 LEU 20 3HB LEU 20 3.008 8.282 -1.578 164 HG LEU 20 HG LEU 20 2.687 11.117 -2.486 165 HD11 LEU 20 1HD1 LEU 20 5.289 10.846 -2.997 166 HD12 LEU 20 2HD1 LEU 20 4.679 11.599 -1.504 167 HD13 LEU 20 3HD1 LEU 20 5.217 9.902 -1.490 168 HD21 LEU 20 1HD2 LEU 20 2.510 8.738 -3.775 169 HD22 LEU 20 2HD2 LEU 20 2.953 10.275 -4.555 170 HD23 LEU 20 3HD2 LEU 20 4.223 9.135 -4.049 171 H CYS 21 H CYS 21 0.642 7.364 -2.668 172 HA CYS 21 HA CYS 21 -0.572 5.894 -0.450 173 HB2 CYS 21 2HB CYS 21 -1.037 5.815 -3.426 174 HB3 CYS 21 3HB CYS 21 -1.576 4.525 -2.370 175 H TYR 22 H TYR 22 0.056 3.658 -0.140 176 HA TYR 22 HA TYR 22 2.289 2.722 -1.774 177 HB2 TYR 22 2HB TYR 22 3.707 2.601 0.130 178 HB3 TYR 22 3HB TYR 22 2.779 4.025 0.552 179 HD1 TYR 22 1HD TYR 22 1.523 4.093 2.544 180 HD2 TYR 22 2HD TYR 22 2.896 0.326 1.052 181 HE1 TYR 22 1HE TYR 22 0.771 2.961 4.693 182 HE2 TYR 22 2HE TYR 22 2.140 -0.794 3.206 183 HH TYR 22 HH TYR 22 1.606 -0.349 5.373 184 H LYS 23 H LYS 23 2.780 0.363 -1.311 185 HA LYS 23 HA LYS 23 0.604 -1.063 -0.037 186 HB2 LYS 23 2HB LYS 23 -0.219 -2.158 -1.880 187 HB3 LYS 23 3HB LYS 23 0.101 -0.576 -2.561 188 HG2 LYS 23 2HG LYS 23 2.376 -1.427 -3.315 189 HG3 LYS 23 3HG LYS 23 1.920 -3.023 -2.749 190 HD2 LYS 23 2HD LYS 23 -0.131 -2.874 -4.283 191 HD3 LYS 23 3HD LYS 23 0.554 -1.403 -4.946 192 HE2 LYS 23 2HE LYS 23 2.724 -2.882 -5.310 193 HE3 LYS 23 3HE LYS 23 1.623 -4.235 -5.137 194 HZ1 LYS 23 1HZ LYS 23 0.585 -2.257 -6.868 195 HZ2 LYS 23 2HZ LYS 23 2.038 -2.790 -7.386 196 HZ3 LYS 23 3HZ LYS 23 0.821 -3.849 -7.142 197 H MET 24 H MET 24 1.373 -2.819 1.047 198 HA MET 24 HA MET 24 4.168 -3.442 0.539 199 HB2 MET 24 2HB MET 24 2.590 -3.009 2.903 200 HB3 MET 24 3HB MET 24 3.003 -4.714 2.910 201 HG2 MET 24 2HG MET 24 5.437 -3.672 2.225 202 HG3 MET 24 3HG MET 24 4.801 -2.325 3.148 203 HE1 MET 24 1HE MET 24 4.113 -2.887 6.197 204 HE2 MET 24 2HE MET 24 5.880 -3.016 6.366 205 HE3 MET 24 3HE MET 24 5.181 -1.967 5.110 206 H PHE 25 H PHE 25 4.581 -5.245 -0.656 207 HA PHE 25 HA PHE 25 2.616 -7.420 -0.474 208 HB2 PHE 25 2HB PHE 25 4.364 -6.236 -2.686 209 HB3 PHE 25 3HB PHE 25 3.829 -7.900 -2.821 210 HD1 PHE 25 1HD PHE 25 2.102 -4.785 -1.685 211 HD2 PHE 25 2HD PHE 25 2.163 -8.044 -4.402 212 HE1 PHE 25 1HE PHE 25 -0.073 -4.008 -2.668 213 HE2 PHE 25 2HE PHE 25 -0.011 -7.267 -5.384 214 HZ PHE 25 HZ PHE 25 -1.104 -5.258 -4.505 215 H MET 26 H MET 26 3.399 -9.581 -0.339 216 HA MET 26 HA MET 26 6.232 -9.694 0.356 217 HB2 MET 26 2HB MET 26 3.878 -11.432 1.290 218 HB3 MET 26 3HB MET 26 5.541 -11.669 1.790 219 HG2 MET 26 2HG MET 26 4.818 -8.885 2.218 220 HG3 MET 26 3HG MET 26 3.598 -9.907 2.948 221 HE1 MET 26 1HE MET 26 3.812 -10.646 5.293 222 HE2 MET 26 2HE MET 26 4.314 -12.103 4.403 223 HE3 MET 26 3HE MET 26 5.216 -11.587 5.850 224 H VAL 27 H VAL 27 7.525 -11.372 -0.509 225 HA VAL 27 HA VAL 27 7.022 -12.239 -3.024 226 HB VAL 27 HB VAL 27 9.094 -12.360 -1.393 227 HG11 VAL 27 1HG1 VAL 27 8.103 -15.230 -1.352 228 HG12 VAL 27 2HG1 VAL 27 9.642 -14.624 -0.695 229 HG13 VAL 27 3HG1 VAL 27 8.101 -14.121 0.040 230 HG21 VAL 27 1HG2 VAL 27 10.231 -13.802 -3.021 231 HG22 VAL 27 2HG2 VAL 27 8.657 -14.330 -3.663 232 HG23 VAL 27 3HG2 VAL 27 9.164 -12.632 -3.834 233 H SER 28 H SER 28 6.020 -13.740 0.079 234 HA SER 28 HA SER 28 5.303 -16.181 -0.636 235 HB2 SER 28 2HB SER 28 3.758 -16.164 1.157 236 HB3 SER 28 3HB SER 28 4.906 -14.908 1.582 237 HG SER 28 HG SER 28 2.633 -14.276 1.841 238 H ASN 29 H ASN 29 3.633 -13.134 -1.536 239 HA ASN 29 HA ASN 29 2.438 -14.442 -3.734 240 HB2 ASN 29 2HB ASN 29 0.866 -14.952 -1.725 241 HB3 ASN 29 3HB ASN 29 0.513 -13.237 -1.686 242 HD21 ASN 29 1HD2 ASN 29 -0.861 -15.908 -2.505 243 HD22 ASN 29 2HD2 ASN 29 -1.692 -15.519 -3.974 244 H LYS 30 H LYS 30 3.515 -12.733 -4.909 245 HA LYS 30 HA LYS 30 3.232 -10.016 -4.112 246 HB2 LYS 30 2HB LYS 30 4.813 -11.546 -5.949 247 HB3 LYS 30 3HB LYS 30 4.057 -10.237 -6.835 248 HG2 LYS 30 2HG LYS 30 4.849 -8.631 -5.036 249 HG3 LYS 30 3HG LYS 30 5.704 -9.961 -4.278 250 HD2 LYS 30 2HD LYS 30 6.216 -9.532 -7.207 251 HD3 LYS 30 3HD LYS 30 6.855 -8.318 -6.116 252 HE2 LYS 30 2HE LYS 30 8.522 -9.702 -5.424 253 HE3 LYS 30 3HE LYS 30 7.386 -10.985 -5.049 254 HZ1 LYS 30 1HZ LYS 30 8.857 -11.679 -6.765 255 HZ2 LYS 30 2HZ LYS 30 7.367 -11.527 -7.416 256 HZ3 LYS 30 3HZ LYS 30 8.502 -10.388 -7.700 257 H THR 31 H THR 31 1.033 -12.205 -5.356 258 HA THR 31 HA THR 31 -0.308 -10.190 -7.015 259 HB THR 31 HB THR 31 -0.855 -13.183 -6.665 260 HG1 THR 31 1HG THR 31 1.078 -13.128 -7.781 261 HG21 THR 31 1HG2 THR 31 -2.123 -11.008 -8.202 262 HG22 THR 31 2HG2 THR 31 -1.497 -12.295 -9.262 263 HG23 THR 31 3HG2 THR 31 -2.667 -12.688 -7.980 264 H VAL 32 H VAL 32 -0.152 -11.155 -3.812 265 HA VAL 32 HA VAL 32 -2.851 -10.120 -3.394 266 HB VAL 32 HB VAL 32 -1.701 -12.691 -2.320 267 HG11 VAL 32 1HG1 VAL 32 -4.295 -12.201 -1.231 268 HG12 VAL 32 2HG1 VAL 32 -2.751 -12.424 -0.374 269 HG13 VAL 32 3HG1 VAL 32 -3.268 -10.794 -0.868 270 HG21 VAL 32 1HG2 VAL 32 -3.216 -13.738 -3.609 271 HG22 VAL 32 2HG2 VAL 32 -4.507 -12.586 -3.189 272 HG23 VAL 32 3HG2 VAL 32 -3.344 -12.190 -4.478 273 HA PRO 33 HA PRO 33 -0.247 -7.616 -0.875 274 HB2 PRO 33 2HB PRO 33 -2.169 -5.852 -0.041 275 HB3 PRO 33 3HB PRO 33 -1.428 -5.785 -1.602 276 HG2 PRO 33 2HG PRO 33 -4.125 -6.975 -0.823 277 HG3 PRO 33 3HG PRO 33 -3.695 -6.032 -2.247 278 HD2 PRO 33 2HD PRO 33 -3.901 -8.766 -2.358 279 HD3 PRO 33 3HD PRO 33 -2.864 -7.857 -3.414 280 H VAL 34 H VAL 34 0.270 -6.963 1.293 281 HA VAL 34 HA VAL 34 -1.156 -8.584 3.288 282 HB VAL 34 HB VAL 34 1.325 -9.034 2.572 283 HG11 VAL 34 1HG1 VAL 34 1.771 -6.898 4.678 284 HG12 VAL 34 2HG1 VAL 34 2.998 -7.813 3.769 285 HG13 VAL 34 3HG1 VAL 34 1.976 -6.621 2.931 286 HG21 VAL 34 1HG2 VAL 34 1.809 -9.863 4.834 287 HG22 VAL 34 2HG2 VAL 34 0.478 -8.875 5.485 288 HG23 VAL 34 3HG2 VAL 34 0.128 -10.210 4.362 289 H LYS 35 H LYS 35 0.286 -5.434 2.406 290 HA LYS 35 HA LYS 35 -1.337 -4.230 4.495 291 HB2 LYS 35 2HB LYS 35 1.659 -4.159 4.389 292 HB3 LYS 35 3HB LYS 35 0.799 -2.731 4.927 293 HG2 LYS 35 2HG LYS 35 0.137 -5.465 6.078 294 HG3 LYS 35 3HG LYS 35 1.481 -4.533 6.708 295 HD2 LYS 35 2HD LYS 35 -0.937 -2.878 6.427 296 HD3 LYS 35 3HD LYS 35 -1.232 -4.277 7.442 297 HE2 LYS 35 2HE LYS 35 1.357 -3.096 8.103 298 HE3 LYS 35 3HE LYS 35 0.108 -1.869 8.166 299 HZ1 LYS 35 1HZ LYS 35 0.604 -3.616 10.108 300 HZ2 LYS 35 2HZ LYS 35 -0.820 -2.837 9.922 301 HZ3 LYS 35 3HZ LYS 35 -0.641 -4.357 9.355 302 H ARG 36 H ARG 36 -1.918 -2.035 4.033 303 HA ARG 36 HA ARG 36 -0.870 -0.865 1.666 304 HB2 ARG 36 2HB ARG 36 -3.557 -2.204 1.705 305 HB3 ARG 36 3HB ARG 36 -3.504 -0.626 0.945 306 HG2 ARG 36 2HG ARG 36 -2.458 -1.457 -0.891 307 HG3 ARG 36 3HG ARG 36 -1.209 -2.207 0.084 308 HD2 ARG 36 2HD ARG 36 -2.295 -4.020 -1.050 309 HD3 ARG 36 3HD ARG 36 -2.893 -4.087 0.597 310 HE ARG 36 HE ARG 36 -5.029 -3.385 -0.147 311 HH11 ARG 36 1HH1 ARG 36 -6.123 -2.864 -3.420 312 HH12 ARG 36 2HH1 ARG 36 -6.606 -3.066 -1.768 313 HH21 ARG 36 1HH2 ARG 36 -3.872 -2.919 -3.984 314 HH22 ARG 36 2HH2 ARG 36 -2.676 -3.162 -2.754 315 H GLY 37 H GLY 37 -1.223 1.417 1.666 316 HA2 GLY 37 1HA GLY 37 -3.260 2.752 3.017 317 HA3 GLY 37 2HA GLY 37 -1.922 2.590 4.138 318 H CYS 38 H CYS 38 -1.774 4.984 4.032 319 HA CYS 38 HA CYS 38 -0.616 5.916 1.516 320 HB2 CYS 38 2HB CYS 38 -1.714 7.529 3.823 321 HB3 CYS 38 3HB CYS 38 -1.100 8.172 2.315 322 H ILE 39 H ILE 39 1.346 7.326 1.704 323 HA ILE 39 HA ILE 39 2.763 7.139 4.226 324 HB ILE 39 HB ILE 39 3.223 5.062 2.832 325 HG12 ILE 39 2HG1 ILE 39 5.534 6.831 3.683 326 HG13 ILE 39 3HG1 ILE 39 4.598 5.787 4.735 327 HG21 ILE 39 1HG2 ILE 39 4.607 7.135 1.121 328 HG22 ILE 39 2HG2 ILE 39 5.023 5.404 1.096 329 HG23 ILE 39 3HG2 ILE 39 3.388 5.933 0.634 330 HD11 ILE 39 1HD1 ILE 39 5.262 3.848 3.145 331 HD12 ILE 39 2HD1 ILE 39 6.461 4.980 2.472 332 HD13 ILE 39 3HD1 ILE 39 6.540 4.515 4.189 333 H ASP 40 H ASP 40 4.701 8.575 4.242 334 HA ASP 40 HA ASP 40 4.055 10.925 2.747 335 HB2 ASP 40 2HB ASP 40 6.520 10.736 4.462 336 HB3 ASP 40 3HB ASP 40 5.399 12.069 4.287 337 HD2 ASP 40 HD ASP 40 4.819 12.384 6.267 338 H ALA 41 H ALA 41 6.680 8.469 3.087 339 HA ALA 41 HA ALA 41 7.964 9.628 0.708 340 HB1 ALA 41 1HB ALA 41 9.674 7.842 2.206 341 HB2 ALA 41 2HB ALA 41 9.903 9.569 1.841 342 HB3 ALA 41 3HB ALA 41 9.001 9.077 3.295 343 H CYS 42 H CYS 42 9.192 7.882 -0.596 344 HA CYS 42 HA CYS 42 7.322 5.697 -0.957 345 HB2 CYS 42 2HB CYS 42 8.089 7.183 -2.846 346 HB3 CYS 42 3HB CYS 42 9.675 6.452 -2.696 347 HA PRO 43 HA PRO 43 9.935 3.208 1.629 348 HB2 PRO 43 2HB PRO 43 8.435 1.051 0.166 349 HB3 PRO 43 3HB PRO 43 8.754 1.180 1.859 350 HG2 PRO 43 2HG PRO 43 6.318 1.877 0.944 351 HG3 PRO 43 3HG PRO 43 7.088 2.899 2.155 352 HD2 PRO 43 2HD PRO 43 6.865 3.403 -0.813 353 HD3 PRO 43 3HD PRO 43 6.714 4.532 0.498 354 H LYS 44 H LYS 44 11.174 0.927 1.435 355 HA LYS 44 HA LYS 44 12.843 1.198 -0.968 356 HB2 LYS 44 2HB LYS 44 13.572 1.452 1.711 357 HB3 LYS 44 3HB LYS 44 14.077 -0.174 1.296 358 HG2 LYS 44 2HG LYS 44 15.103 0.889 -0.857 359 HG3 LYS 44 3HG LYS 44 14.880 2.431 -0.055 360 HD2 LYS 44 2HD LYS 44 16.620 2.075 1.387 361 HD3 LYS 44 3HD LYS 44 16.147 0.416 1.700 362 HE2 LYS 44 2HE LYS 44 17.180 0.847 -1.051 363 HE3 LYS 44 3HE LYS 44 18.358 1.200 0.199 364 HZ1 LYS 44 1HZ LYS 44 17.482 -1.041 1.136 365 HZ2 LYS 44 2HZ LYS 44 17.058 -1.316 -0.417 366 HZ3 LYS 44 3HZ LYS 44 18.619 -1.019 -0.036 367 H ASN 45 H ASN 45 12.639 -0.425 -2.404 368 HA ASN 45 HA ASN 45 11.028 -2.585 -1.965 369 HB2 ASN 45 2HB ASN 45 12.108 -3.536 -4.034 370 HB3 ASN 45 3HB ASN 45 11.686 -1.847 -4.226 371 HD21 ASN 45 1HD2 ASN 45 13.419 -2.647 -5.954 372 HD22 ASN 45 2HD2 ASN 45 15.046 -2.158 -5.614 373 H SER 46 H SER 46 11.587 -4.914 -1.685 374 HA SER 46 HA SER 46 14.243 -5.294 -0.549 375 HB2 SER 46 2HB SER 46 11.684 -6.562 0.517 376 HB3 SER 46 3HB SER 46 13.291 -6.742 1.191 377 HG SER 46 HG SER 46 12.832 -4.091 1.030 378 H LEU 47 H LEU 47 14.550 -7.897 -0.270 379 HA LEU 47 HA LEU 47 14.172 -8.918 -2.936 380 HB2 LEU 47 2HB LEU 47 15.515 -10.839 -1.987 381 HB3 LEU 47 3HB LEU 47 16.304 -9.278 -2.109 382 HG LEU 47 HG LEU 47 15.011 -9.891 0.497 383 HD11 LEU 47 1HD1 LEU 47 17.709 -11.086 0.156 384 HD12 LEU 47 2HD1 LEU 47 16.354 -11.573 1.201 385 HD13 LEU 47 3HD1 LEU 47 16.334 -11.983 -0.531 386 HD21 LEU 47 1HD2 LEU 47 16.186 -8.073 0.988 387 HD22 LEU 47 2HD2 LEU 47 17.668 -9.043 0.813 388 HD23 LEU 47 3HD2 LEU 47 17.033 -8.129 -0.576 389 H LEU 48 H LEU 48 12.733 -9.222 0.274 390 HA LEU 48 HA LEU 48 11.160 -11.498 -0.696 391 HB2 LEU 48 2HB LEU 48 12.264 -10.709 1.906 392 HB3 LEU 48 3HB LEU 48 10.589 -11.217 1.971 393 HG LEU 48 HG LEU 48 11.964 -13.122 0.367 394 HD11 LEU 48 1HD1 LEU 48 13.341 -13.248 2.971 395 HD12 LEU 48 2HD1 LEU 48 13.927 -13.622 1.333 396 HD13 LEU 48 3HD1 LEU 48 13.877 -11.935 1.896 397 HD21 LEU 48 1HD2 LEU 48 9.946 -13.414 1.833 398 HD22 LEU 48 2HD2 LEU 48 11.180 -14.687 1.984 399 HD23 LEU 48 3HD2 LEU 48 11.043 -13.426 3.234 400 H VAL 49 H VAL 49 10.940 -8.296 0.982 401 HA VAL 49 HA VAL 49 8.083 -8.276 0.422 402 HB VAL 49 HB VAL 49 9.807 -6.324 1.957 403 HG11 VAL 49 1HG1 VAL 49 7.782 -5.252 1.273 404 HG12 VAL 49 2HG1 VAL 49 6.805 -6.673 1.714 405 HG13 VAL 49 3HG1 VAL 49 7.584 -5.699 2.983 406 HG21 VAL 49 1HG2 VAL 49 9.441 -8.892 2.707 407 HG22 VAL 49 2HG2 VAL 49 9.569 -7.542 3.858 408 HG23 VAL 49 3HG2 VAL 49 7.968 -8.165 3.392 409 H LYS 50 H LYS 50 7.082 -6.476 -0.717 410 HA LYS 50 HA LYS 50 8.946 -4.915 -2.337 411 HB2 LYS 50 2HB LYS 50 8.380 -6.842 -3.706 412 HB3 LYS 50 3HB LYS 50 6.669 -6.597 -3.422 413 HG2 LYS 50 2HG LYS 50 6.874 -5.504 -5.463 414 HG3 LYS 50 3HG LYS 50 7.172 -4.155 -4.386 415 HD2 LYS 50 2HD LYS 50 9.027 -3.927 -5.758 416 HD3 LYS 50 3HD LYS 50 9.712 -5.007 -4.559 417 HE2 LYS 50 2HE LYS 50 8.269 -6.257 -6.892 418 HE3 LYS 50 3HE LYS 50 9.838 -5.541 -7.202 419 HZ1 LYS 50 1HZ LYS 50 9.175 -7.767 -5.447 420 HZ2 LYS 50 2HZ LYS 50 10.356 -7.657 -6.570 421 HZ3 LYS 50 3HZ LYS 50 10.514 -6.884 -5.140 422 H TYR 51 H TYR 51 8.490 -2.804 -2.063 423 HA TYR 51 HA TYR 51 5.727 -2.138 -1.306 424 HB2 TYR 51 2HB TYR 51 8.363 -0.580 -0.981 425 HB3 TYR 51 3HB TYR 51 6.845 -0.207 -0.187 426 HD1 TYR 51 1HD TYR 51 9.549 -2.770 -0.364 427 HD2 TYR 51 2HD TYR 51 6.316 -1.143 1.918 428 HE1 TYR 51 1HE TYR 51 10.241 -4.180 1.636 429 HE2 TYR 51 2HE TYR 51 7.020 -2.559 3.910 430 HH TYR 51 HH TYR 51 9.684 -4.874 3.625 431 H VAL 52 H VAL 52 4.531 -0.921 -2.690 432 HA VAL 52 HA VAL 52 6.015 0.538 -4.766 433 HB VAL 52 HB VAL 52 3.461 -1.064 -4.967 434 HG11 VAL 52 1HG1 VAL 52 4.060 -0.214 -7.525 435 HG12 VAL 52 2HG1 VAL 52 2.791 0.460 -6.474 436 HG13 VAL 52 3HG1 VAL 52 4.394 1.231 -6.542 437 HG21 VAL 52 1HG2 VAL 52 5.107 -1.837 -7.021 438 HG22 VAL 52 2HG2 VAL 52 6.276 -1.507 -5.720 439 HG23 VAL 52 3HG2 VAL 52 4.957 -2.674 -5.457 440 H CYS 53 H CYS 53 5.590 2.695 -4.880 441 HA CYS 53 HA CYS 53 3.357 3.627 -3.235 442 HB2 CYS 53 2HB CYS 53 4.520 5.649 -2.882 443 HB3 CYS 53 3HB CYS 53 5.640 4.339 -2.557 444 H CYS 54 H CYS 54 1.859 5.123 -4.171 445 HA CYS 54 HA CYS 54 2.290 5.729 -6.991 446 HB2 CYS 54 2HB CYS 54 -0.322 5.308 -7.118 447 HB3 CYS 54 3HB CYS 54 0.857 4.058 -7.461 448 H ASN 55 H ASN 55 0.829 7.582 -7.690 449 HA ASN 55 HA ASN 55 0.221 9.231 -5.363 450 HB2 ASN 55 2HB ASN 55 0.668 11.198 -6.874 451 HB3 ASN 55 3HB ASN 55 2.078 10.176 -6.684 452 HD21 ASN 55 1HD2 ASN 55 2.293 11.678 -8.732 453 HD22 ASN 55 2HD2 ASN 55 1.956 10.905 -10.245 454 H THR 56 H THR 56 -1.563 7.252 -6.673 455 HA THR 56 HA THR 56 -3.529 9.085 -7.884 456 HB THR 56 HB THR 56 -4.285 6.683 -8.847 457 HG1 THR 56 1HG THR 56 -1.378 6.580 -8.492 458 HG21 THR 56 1HG2 THR 56 -3.307 8.720 -10.158 459 HG22 THR 56 2HG2 THR 56 -1.730 7.915 -9.970 460 HG23 THR 56 3HG2 THR 56 -3.042 7.106 -10.860 461 H ASP 57 H ASP 57 -5.853 8.154 -7.643 462 HA ASP 57 HA ASP 57 -6.181 7.843 -4.824 463 HB2 ASP 57 2HB ASP 57 -7.851 8.557 -7.175 464 HB3 ASP 57 3HB ASP 57 -8.709 7.608 -5.975 465 HD2 ASP 57 HD ASP 57 -8.886 8.748 -3.775 466 H ARG 58 H ARG 58 -7.291 5.997 -3.829 467 HA ARG 58 HA ARG 58 -7.387 3.827 -3.537 468 HB2 ARG 58 2HB ARG 58 -9.346 4.606 -5.636 469 HB3 ARG 58 3HB ARG 58 -9.039 2.882 -5.579 470 HG2 ARG 58 2HG ARG 58 -10.217 2.650 -3.648 471 HG3 ARG 58 3HG ARG 58 -9.322 3.938 -2.868 472 HD2 ARG 58 2HD ARG 58 -11.453 4.891 -2.892 473 HD3 ARG 58 3HD ARG 58 -10.831 5.516 -4.406 474 HE ARG 58 HE ARG 58 -11.982 3.027 -5.040 475 HH11 ARG 58 1HH1 ARG 58 -15.283 4.051 -5.521 476 HH12 ARG 58 2HH1 ARG 58 -14.113 2.814 -5.837 477 HH21 ARG 58 1HH2 ARG 58 -14.688 5.924 -4.286 478 HH22 ARG 58 2HH2 ARG 58 -13.072 6.085 -3.682 479 H CYS 59 H CYS 59 -5.083 4.621 -5.216 480 HA CYS 59 HA CYS 59 -4.837 2.991 -7.455 481 HB2 CYS 59 2HB CYS 59 -2.495 3.480 -7.373 482 HB3 CYS 59 3HB CYS 59 -3.410 4.928 -7.002 483 H ASN 60 H ASN 60 -3.870 2.578 -3.983 484 HA ASN 60 HA ASN 60 -3.297 -0.202 -4.590 485 HB2 ASN 60 2HB ASN 60 -2.043 -0.241 -2.499 486 HB3 ASN 60 3HB ASN 60 -1.574 1.215 -3.355 487 HD21 ASN 60 1HD2 ASN 60 -3.792 -0.055 -0.905 488 HD22 ASN 60 2HD2 ASN 60 -3.907 1.377 0.064 Start of MODEL 3 1 H1 LEU 1 H LEU 1 -6.167 13.853 -1.348 2 HA LEU 1 HA LEU 1 -6.052 11.940 -2.442 3 HB2 LEU 1 2HB LEU 1 -3.576 12.549 -2.296 4 HB3 LEU 1 3HB LEU 1 -3.458 11.334 -1.038 5 HG LEU 1 HG LEU 1 -4.705 9.915 -3.020 6 HD11 LEU 1 1HD1 LEU 1 -2.778 11.810 -4.395 7 HD12 LEU 1 2HD1 LEU 1 -3.531 10.370 -5.123 8 HD13 LEU 1 3HD1 LEU 1 -4.543 11.747 -4.622 9 HD21 LEU 1 1HD2 LEU 1 -2.440 8.946 -3.460 10 HD22 LEU 1 2HD2 LEU 1 -1.749 10.241 -2.452 11 HD23 LEU 1 3HD2 LEU 1 -2.874 9.062 -1.738 12 H LYS 2 H LYS 2 -6.604 9.683 -2.227 13 HA LYS 2 HA LYS 2 -6.958 8.851 0.565 14 HB2 LYS 2 2HB LYS 2 -8.987 8.999 -1.647 15 HB3 LYS 2 3HB LYS 2 -9.126 7.743 -0.433 16 HG2 LYS 2 2HG LYS 2 -9.089 9.457 1.374 17 HG3 LYS 2 3HG LYS 2 -8.887 10.727 0.184 18 HD2 LYS 2 2HD LYS 2 -11.191 8.981 -0.427 19 HD3 LYS 2 3HD LYS 2 -11.331 9.737 1.148 20 HE2 LYS 2 2HE LYS 2 -12.004 11.643 0.116 21 HE3 LYS 2 3HE LYS 2 -10.394 11.802 -0.555 22 HZ1 LYS 2 1HZ LYS 2 -12.713 10.494 -1.772 23 HZ2 LYS 2 2HZ LYS 2 -11.836 11.743 -2.355 24 HZ3 LYS 2 3HZ LYS 2 -11.198 10.240 -2.328 25 H CYS 3 H CYS 3 -6.673 6.625 0.979 26 HA CYS 3 HA CYS 3 -5.685 5.120 -1.333 27 HB2 CYS 3 2HB CYS 3 -4.585 5.039 1.481 28 HB3 CYS 3 3HB CYS 3 -4.063 4.029 0.149 29 H ASN 4 H ASN 4 -6.247 2.846 -1.319 30 HA ASN 4 HA ASN 4 -8.692 2.340 -0.045 31 HB2 ASN 4 2HB ASN 4 -7.533 1.349 -2.271 32 HB3 ASN 4 3HB ASN 4 -6.973 0.110 -1.163 33 HD21 ASN 4 1HD2 ASN 4 -9.525 1.281 -3.042 34 HD22 ASN 4 2HD2 ASN 4 -10.784 0.198 -2.545 35 H LYS 5 H LYS 5 -9.007 0.242 1.335 36 HA LYS 5 HA LYS 5 -6.888 0.181 3.337 37 HB2 LYS 5 2HB LYS 5 -9.762 -0.787 3.424 38 HB3 LYS 5 3HB LYS 5 -8.623 -0.896 4.751 39 HG2 LYS 5 2HG LYS 5 -8.752 1.821 3.590 40 HG3 LYS 5 3HG LYS 5 -10.301 1.277 4.200 41 HD2 LYS 5 2HD LYS 5 -7.718 1.118 5.818 42 HD3 LYS 5 3HD LYS 5 -8.822 2.477 5.905 43 HE2 LYS 5 2HE LYS 5 -10.122 -0.186 6.232 44 HE3 LYS 5 3HE LYS 5 -8.981 0.222 7.498 45 HZ1 LYS 5 1HZ LYS 5 -11.343 1.005 7.758 46 HZ2 LYS 5 2HZ LYS 5 -10.177 2.115 8.030 47 HZ3 LYS 5 3HZ LYS 5 -11.014 2.137 6.628 48 H LEU 6 H LEU 6 -7.340 -2.348 4.462 49 HA LEU 6 HA LEU 6 -5.772 -3.935 2.774 50 HB2 LEU 6 2HB LEU 6 -6.224 -3.904 5.379 51 HB3 LEU 6 3HB LEU 6 -7.419 -5.118 4.966 52 HG LEU 6 HG LEU 6 -4.457 -5.277 4.339 53 HD11 LEU 6 1HD1 LEU 6 -4.114 -6.338 6.274 54 HD12 LEU 6 2HD1 LEU 6 -5.669 -5.636 6.783 55 HD13 LEU 6 3HD1 LEU 6 -5.611 -7.289 6.127 56 HD21 LEU 6 1HD2 LEU 6 -5.471 -6.499 2.636 57 HD22 LEU 6 2HD2 LEU 6 -5.113 -7.727 3.873 58 HD23 LEU 6 3HD2 LEU 6 -6.769 -7.096 3.698 59 H ILE 7 H ILE 7 -9.310 -3.811 3.432 60 HA ILE 7 HA ILE 7 -9.679 -5.900 1.424 61 HB ILE 7 HB ILE 7 -11.568 -4.691 3.445 62 HG12 ILE 7 2HG1 ILE 7 -10.098 -7.337 3.342 63 HG13 ILE 7 3HG1 ILE 7 -9.914 -6.061 4.529 64 HG21 ILE 7 1HG2 ILE 7 -12.309 -5.765 1.045 65 HG22 ILE 7 2HG2 ILE 7 -12.334 -7.195 2.103 66 HG23 ILE 7 3HG2 ILE 7 -13.304 -5.763 2.519 67 HD11 ILE 7 1HD1 ILE 7 -12.231 -6.392 5.310 68 HD12 ILE 7 2HD1 ILE 7 -12.495 -7.621 4.051 69 HD13 ILE 7 3HD1 ILE 7 -11.340 -7.932 5.369 70 HA PRO 8 HA PRO 8 -10.315 -2.768 -1.564 71 HB2 PRO 8 2HB PRO 8 -11.491 -4.395 -3.480 72 HB3 PRO 8 3HB PRO 8 -9.787 -4.236 -3.235 73 HG2 PRO 8 2HG PRO 8 -11.670 -6.388 -2.174 74 HG3 PRO 8 3HG PRO 8 -10.043 -6.560 -2.828 75 HD2 PRO 8 2HD PRO 8 -10.413 -6.607 -0.142 76 HD3 PRO 8 3HD PRO 8 -8.984 -5.908 -0.843 77 H LEU 9 H LEU 9 -11.966 -1.721 0.010 78 HA LEU 9 HA LEU 9 -14.191 -0.996 -1.500 79 HB2 LEU 9 2HB LEU 9 -15.968 -2.135 -0.683 80 HB3 LEU 9 3HB LEU 9 -14.756 -3.401 -0.674 81 HG LEU 9 HG LEU 9 -14.369 -2.649 1.811 82 HD11 LEU 9 1HD1 LEU 9 -17.266 -1.987 1.830 83 HD12 LEU 9 2HD1 LEU 9 -15.945 -1.424 2.882 84 HD13 LEU 9 3HD1 LEU 9 -16.148 -0.724 1.258 85 HD21 LEU 9 1HD2 LEU 9 -16.575 -4.361 0.698 86 HD22 LEU 9 2HD2 LEU 9 -15.051 -4.838 1.485 87 HD23 LEU 9 3HD2 LEU 9 -16.380 -4.162 2.456 88 H ALA 10 H ALA 10 -12.532 -1.339 1.639 89 HA ALA 10 HA ALA 10 -13.775 1.135 2.558 90 HB1 ALA 10 1HB ALA 10 -13.131 0.479 4.705 91 HB2 ALA 10 2HB ALA 10 -13.439 -1.090 3.921 92 HB3 ALA 10 3HB ALA 10 -11.770 -0.501 4.109 93 H TYR 11 H TYR 11 -12.645 3.060 2.810 94 HA TYR 11 HA TYR 11 -9.785 2.989 2.180 95 HB2 TYR 11 2HB TYR 11 -10.244 4.968 0.667 96 HB3 TYR 11 3HB TYR 11 -11.110 3.547 0.115 97 HD1 TYR 11 1HD TYR 11 -11.478 6.785 1.889 98 HD2 TYR 11 2HD TYR 11 -13.506 3.495 0.053 99 HE1 TYR 11 1HE TYR 11 -13.665 8.080 1.965 100 HE2 TYR 11 2HE TYR 11 -15.685 4.802 0.135 101 HH TYR 11 HH TYR 11 -16.413 6.975 1.940 102 H LYS 12 H LYS 12 -8.732 5.170 2.701 103 HA LYS 12 HA LYS 12 -10.189 6.784 4.591 104 HB2 LYS 12 2HB LYS 12 -8.598 6.436 6.429 105 HB3 LYS 12 3HB LYS 12 -9.494 4.979 6.050 106 HG2 LYS 12 2HG LYS 12 -7.379 4.053 6.109 107 HG3 LYS 12 3HG LYS 12 -7.389 4.536 4.425 108 HD2 LYS 12 2HD LYS 12 -6.465 6.847 5.402 109 HD3 LYS 12 3HD LYS 12 -5.999 5.852 6.767 110 HE2 LYS 12 2HE LYS 12 -4.885 4.265 5.042 111 HE3 LYS 12 3HE LYS 12 -5.128 5.537 3.862 112 HZ1 LYS 12 1HZ LYS 12 -3.675 5.876 6.394 113 HZ2 LYS 12 2HZ LYS 12 -2.975 5.659 4.936 114 HZ3 LYS 12 3HZ LYS 12 -3.848 7.008 5.230 115 H THR 13 H THR 13 -9.223 8.849 4.883 116 HA THR 13 HA THR 13 -7.601 9.661 2.701 117 HB THR 13 HB THR 13 -8.618 10.996 5.259 118 HG1 THR 13 1HG THR 13 -10.105 10.329 3.493 119 HG21 THR 13 1HG2 THR 13 -7.968 12.755 3.000 120 HG22 THR 13 2HG2 THR 13 -7.510 12.922 4.711 121 HG23 THR 13 3HG2 THR 13 -6.508 11.942 3.613 122 H CYS 14 H CYS 14 -5.460 10.403 2.630 123 HA CYS 14 HA CYS 14 -3.748 8.965 4.388 124 HB2 CYS 14 2HB CYS 14 -2.908 11.057 2.390 125 HB3 CYS 14 3HB CYS 14 -1.962 9.725 3.025 126 HA PRO 15 HA PRO 15 -3.991 12.109 7.526 127 HB2 PRO 15 2HB PRO 15 -1.538 10.628 8.436 128 HB3 PRO 15 3HB PRO 15 -2.889 11.150 9.376 129 HG2 PRO 15 2HG PRO 15 -2.760 8.565 8.650 130 HG3 PRO 15 3HG PRO 15 -4.308 9.395 8.515 131 HD2 PRO 15 2HD PRO 15 -2.366 8.747 6.289 132 HD3 PRO 15 3HD PRO 15 -4.098 8.629 6.291 133 H ALA 16 H ALA 16 -2.263 13.482 8.934 134 HA ALA 16 HA ALA 16 -1.244 15.361 7.124 135 HB1 ALA 16 1HB ALA 16 -0.964 14.880 10.104 136 HB2 ALA 16 2HB ALA 16 -0.145 16.236 9.293 137 HB3 ALA 16 3HB ALA 16 -1.921 16.123 9.262 138 H GLY 17 H GLY 17 0.543 15.222 5.871 139 HA2 GLY 17 1HA GLY 17 2.889 15.072 5.708 140 HA3 GLY 17 2HA GLY 17 2.909 13.879 6.991 141 H LYS 18 H LYS 18 0.501 12.425 5.839 142 HA LYS 18 HA LYS 18 2.014 10.962 3.818 143 HB2 LYS 18 2HB LYS 18 -0.176 10.265 5.749 144 HB3 LYS 18 3HB LYS 18 0.002 9.318 4.285 145 HG2 LYS 18 2HG LYS 18 2.333 8.787 4.833 146 HG3 LYS 18 3HG LYS 18 2.315 9.889 6.194 147 HD2 LYS 18 2HD LYS 18 0.108 7.969 6.390 148 HD3 LYS 18 3HD LYS 18 1.640 7.135 6.222 149 HE2 LYS 18 2HE LYS 18 2.414 7.844 8.276 150 HE3 LYS 18 3HE LYS 18 1.695 9.433 8.120 151 HZ1 LYS 18 1HZ LYS 18 0.038 7.060 8.543 152 HZ2 LYS 18 2HZ LYS 18 0.703 7.868 9.797 153 HZ3 LYS 18 3HZ LYS 18 -0.351 8.626 8.804 154 H ASN 19 H ASN 19 1.698 11.659 1.770 155 HA ASN 19 HA ASN 19 -1.073 12.188 1.046 156 HB2 ASN 19 2HB ASN 19 -0.419 14.071 -0.310 157 HB3 ASN 19 3HB ASN 19 0.420 14.292 1.214 158 HD21 ASN 19 1HD2 ASN 19 1.046 15.260 -1.469 159 HD22 ASN 19 2HD2 ASN 19 2.646 14.717 -1.854 160 H LEU 20 H LEU 20 1.127 9.914 0.864 161 HA LEU 20 HA LEU 20 0.837 9.509 -2.030 162 HB2 LEU 20 2HB LEU 20 3.236 9.344 -0.289 163 HB3 LEU 20 3HB LEU 20 3.052 8.095 -1.505 164 HG LEU 20 HG LEU 20 2.667 10.876 -2.463 165 HD11 LEU 20 1HD1 LEU 20 5.386 10.731 -2.639 166 HD12 LEU 20 2HD1 LEU 20 4.488 11.674 -1.424 167 HD13 LEU 20 3HD1 LEU 20 5.098 10.051 -1.019 168 HD21 LEU 20 1HD2 LEU 20 4.047 9.999 -4.346 169 HD22 LEU 20 2HD2 LEU 20 4.132 8.435 -3.498 170 HD23 LEU 20 3HD2 LEU 20 2.559 9.071 -4.039 171 H CYS 21 H CYS 21 0.643 7.240 -2.690 172 HA CYS 21 HA CYS 21 -0.572 5.687 -0.530 173 HB2 CYS 21 2HB CYS 21 -1.070 5.817 -3.489 174 HB3 CYS 21 3HB CYS 21 -1.525 4.393 -2.577 175 H TYR 22 H TYR 22 0.051 3.445 -0.295 176 HA TYR 22 HA TYR 22 2.214 2.505 -2.001 177 HB2 TYR 22 2HB TYR 22 3.740 2.388 -0.174 178 HB3 TYR 22 3HB TYR 22 2.860 3.840 0.261 179 HD1 TYR 22 1HD TYR 22 1.751 3.985 2.330 180 HD2 TYR 22 2HD TYR 22 2.912 0.147 0.839 181 HE1 TYR 22 1HE TYR 22 1.103 2.920 4.545 182 HE2 TYR 22 2HE TYR 22 2.260 -0.905 3.060 183 HH TYR 22 HH TYR 22 1.955 0.679 5.782 184 H LYS 23 H LYS 23 2.712 0.151 -1.561 185 HA LYS 23 HA LYS 23 0.616 -1.248 -0.128 186 HB2 LYS 23 2HB LYS 23 -0.204 -2.490 -1.942 187 HB3 LYS 23 3HB LYS 23 -0.182 -0.833 -2.510 188 HG2 LYS 23 2HG LYS 23 2.121 -1.314 -3.532 189 HG3 LYS 23 3HG LYS 23 1.876 -3.001 -3.125 190 HD2 LYS 23 2HD LYS 23 0.118 -3.268 -4.673 191 HD3 LYS 23 3HD LYS 23 -0.291 -1.563 -4.665 192 HE2 LYS 23 2HE LYS 23 1.820 -1.038 -5.889 193 HE3 LYS 23 3HE LYS 23 2.262 -2.736 -5.871 194 HZ1 LYS 23 1HZ LYS 23 0.156 -1.423 -7.375 195 HZ2 LYS 23 2HZ LYS 23 1.236 -2.544 -7.868 196 HZ3 LYS 23 3HZ LYS 23 -0.050 -2.990 -6.965 197 H MET 24 H MET 24 1.439 -3.002 0.921 198 HA MET 24 HA MET 24 4.194 -3.645 0.247 199 HB2 MET 24 2HB MET 24 2.555 -3.500 2.733 200 HB3 MET 24 3HB MET 24 3.563 -4.932 2.659 201 HG2 MET 24 2HG MET 24 5.330 -2.958 1.810 202 HG3 MET 24 3HG MET 24 4.353 -2.083 2.974 203 HE1 MET 24 1HE MET 24 5.187 -1.653 4.788 204 HE2 MET 24 2HE MET 24 4.617 -2.872 5.954 205 HE3 MET 24 3HE MET 24 6.358 -2.532 5.800 206 H PHE 25 H PHE 25 4.652 -5.560 -0.753 207 HA PHE 25 HA PHE 25 2.599 -7.652 -0.563 208 HB2 PHE 25 2HB PHE 25 4.426 -6.594 -2.773 209 HB3 PHE 25 3HB PHE 25 3.870 -8.254 -2.859 210 HD1 PHE 25 1HD PHE 25 2.220 -8.455 -4.448 211 HD2 PHE 25 2HD PHE 25 2.185 -5.052 -1.913 212 HE1 PHE 25 1HE PHE 25 0.083 -7.683 -5.514 213 HE2 PHE 25 2HE PHE 25 0.048 -4.280 -2.979 214 HZ PHE 25 HZ PHE 25 -0.978 -5.605 -4.766 215 H MET 26 H MET 26 3.303 -9.826 -0.312 216 HA MET 26 HA MET 26 6.094 -9.994 0.515 217 HB2 MET 26 2HB MET 26 3.583 -11.560 1.316 218 HB3 MET 26 3HB MET 26 5.192 -12.074 1.788 219 HG2 MET 26 2HG MET 26 4.428 -9.211 2.350 220 HG3 MET 26 3HG MET 26 3.698 -10.453 3.347 221 HE1 MET 26 1HE MET 26 5.965 -12.620 4.412 222 HE2 MET 26 2HE MET 26 6.053 -11.469 5.766 223 HE3 MET 26 3HE MET 26 4.521 -11.696 4.889 224 H VAL 27 H VAL 27 7.418 -11.703 -0.250 225 HA VAL 27 HA VAL 27 7.024 -12.563 -2.812 226 HB VAL 27 HB VAL 27 9.050 -12.608 -1.114 227 HG11 VAL 27 1HG1 VAL 27 8.417 -15.558 -1.177 228 HG12 VAL 27 2HG1 VAL 27 9.592 -14.680 -0.170 229 HG13 VAL 27 3HG1 VAL 27 7.849 -14.522 0.155 230 HG21 VAL 27 1HG2 VAL 27 10.220 -14.188 -2.694 231 HG22 VAL 27 2HG2 VAL 27 8.644 -14.471 -3.473 232 HG23 VAL 27 3HG2 VAL 27 9.360 -12.841 -3.477 233 H SER 28 H SER 28 5.800 -13.911 0.245 234 HA SER 28 HA SER 28 5.217 -16.437 -0.488 235 HB2 SER 28 2HB SER 28 3.377 -14.606 1.112 236 HB3 SER 28 3HB SER 28 3.411 -16.356 1.188 237 HG SER 28 HG SER 28 5.064 -14.491 2.433 238 H ASN 29 H ASN 29 3.614 -13.396 -1.450 239 HA ASN 29 HA ASN 29 2.365 -14.736 -3.596 240 HB2 ASN 29 2HB ASN 29 0.780 -15.122 -1.574 241 HB3 ASN 29 3HB ASN 29 0.492 -13.394 -1.585 242 HD21 ASN 29 1HD2 ASN 29 -1.036 -15.985 -2.279 243 HD22 ASN 29 2HD2 ASN 29 -1.840 -15.626 -3.772 244 H LYS 30 H LYS 30 3.520 -13.104 -4.817 245 HA LYS 30 HA LYS 30 3.298 -10.350 -4.118 246 HB2 LYS 30 2HB LYS 30 4.882 -11.988 -5.861 247 HB3 LYS 30 3HB LYS 30 4.189 -10.685 -6.805 248 HG2 LYS 30 2HG LYS 30 4.983 -9.049 -5.035 249 HG3 LYS 30 3HG LYS 30 5.775 -10.378 -4.213 250 HD2 LYS 30 2HD LYS 30 6.429 -10.223 -7.106 251 HD3 LYS 30 3HD LYS 30 6.925 -8.806 -6.201 252 HE2 LYS 30 2HE LYS 30 7.530 -11.453 -4.925 253 HE3 LYS 30 3HE LYS 30 8.434 -11.078 -6.379 254 HZ1 LYS 30 1HZ LYS 30 9.677 -10.119 -4.746 255 HZ2 LYS 30 2HZ LYS 30 8.782 -8.836 -5.213 256 HZ3 LYS 30 3HZ LYS 30 8.399 -9.645 -3.847 257 H THR 31 H THR 31 1.069 -12.523 -5.323 258 HA THR 31 HA THR 31 -0.166 -10.558 -7.116 259 HB THR 31 HB THR 31 -0.711 -13.531 -6.608 260 HG1 THR 31 1HG THR 31 0.466 -11.989 -8.811 261 HG21 THR 31 1HG2 THR 31 -2.635 -13.132 -7.792 262 HG22 THR 31 2HG2 THR 31 -2.157 -11.450 -8.122 263 HG23 THR 31 3HG2 THR 31 -1.578 -12.762 -9.175 264 H VAL 32 H VAL 32 -0.120 -11.358 -3.858 265 HA VAL 32 HA VAL 32 -2.774 -10.175 -3.561 266 HB VAL 32 HB VAL 32 -1.786 -12.738 -2.310 267 HG11 VAL 32 1HG1 VAL 32 -3.302 -10.709 -1.029 268 HG12 VAL 32 2HG1 VAL 32 -4.427 -12.031 -1.422 269 HG13 VAL 32 3HG1 VAL 32 -2.968 -12.361 -0.458 270 HG21 VAL 32 1HG2 VAL 32 -4.527 -12.476 -3.416 271 HG22 VAL 32 2HG2 VAL 32 -3.198 -12.394 -4.598 272 HG23 VAL 32 3HG2 VAL 32 -3.359 -13.814 -3.537 273 HA PRO 33 HA PRO 33 -0.240 -7.662 -1.022 274 HB2 PRO 33 2HB PRO 33 -2.186 -5.981 -0.084 275 HB3 PRO 33 3HB PRO 33 -1.521 -5.870 -1.675 276 HG2 PRO 33 2HG PRO 33 -4.134 -7.164 -0.789 277 HG3 PRO 33 3HG PRO 33 -3.804 -6.194 -2.221 278 HD2 PRO 33 2HD PRO 33 -3.913 -8.935 -2.344 279 HD3 PRO 33 3HD PRO 33 -2.973 -7.979 -3.445 280 H VAL 34 H VAL 34 0.347 -7.022 1.130 281 HA VAL 34 HA VAL 34 -0.936 -8.716 3.162 282 HB VAL 34 HB VAL 34 1.540 -9.045 2.319 283 HG11 VAL 34 1HG1 VAL 34 2.221 -6.707 2.693 284 HG12 VAL 34 2HG1 VAL 34 1.874 -6.887 4.429 285 HG13 VAL 34 3HG1 VAL 34 3.178 -7.838 3.679 286 HG21 VAL 34 1HG2 VAL 34 2.129 -9.938 4.542 287 HG22 VAL 34 2HG2 VAL 34 0.755 -9.059 5.252 288 HG23 VAL 34 3HG2 VAL 34 0.464 -10.361 4.075 289 H LYS 35 H LYS 35 0.332 -5.508 2.245 290 HA LYS 35 HA LYS 35 -1.245 -4.374 4.397 291 HB2 LYS 35 2HB LYS 35 1.729 -4.375 4.331 292 HB3 LYS 35 3HB LYS 35 0.963 -2.847 4.717 293 HG2 LYS 35 2HG LYS 35 -0.255 -3.825 6.580 294 HG3 LYS 35 3HG LYS 35 0.188 -5.451 6.101 295 HD2 LYS 35 2HD LYS 35 2.454 -3.545 6.605 296 HD3 LYS 35 3HD LYS 35 1.533 -4.048 8.009 297 HE2 LYS 35 2HE LYS 35 1.921 -6.434 7.447 298 HE3 LYS 35 3HE LYS 35 2.770 -5.975 5.985 299 HZ1 LYS 35 1HZ LYS 35 4.501 -5.085 7.212 300 HZ2 LYS 35 2HZ LYS 35 3.646 -5.003 8.601 301 HZ3 LYS 35 3HZ LYS 35 4.136 -6.451 8.028 302 H ARG 36 H ARG 36 -1.891 -2.197 3.973 303 HA ARG 36 HA ARG 36 -0.906 -1.007 1.570 304 HB2 ARG 36 2HB ARG 36 -3.592 -2.318 1.755 305 HB3 ARG 36 3HB ARG 36 -3.598 -0.714 1.050 306 HG2 ARG 36 2HG ARG 36 -2.828 -1.564 -0.903 307 HG3 ARG 36 3HG ARG 36 -1.365 -2.100 -0.098 308 HD2 ARG 36 2HD ARG 36 -2.203 -4.138 -0.901 309 HD3 ARG 36 3HD ARG 36 -2.866 -4.126 0.722 310 HE ARG 36 HE ARG 36 -5.018 -3.863 -0.173 311 HH11 ARG 36 1HH1 ARG 36 -6.044 -3.387 -3.474 312 HH12 ARG 36 2HH1 ARG 36 -6.558 -3.733 -1.856 313 HH21 ARG 36 1HH2 ARG 36 -3.793 -3.056 -3.931 314 HH22 ARG 36 2HH2 ARG 36 -2.627 -3.153 -2.654 315 H GLY 37 H GLY 37 -1.205 1.281 1.594 316 HA2 GLY 37 1HA GLY 37 -3.123 2.669 3.055 317 HA3 GLY 37 2HA GLY 37 -1.740 2.458 4.111 318 H CYS 38 H CYS 38 -1.527 4.848 4.009 319 HA CYS 38 HA CYS 38 -0.433 5.748 1.451 320 HB2 CYS 38 2HB CYS 38 -1.462 7.380 3.778 321 HB3 CYS 38 3HB CYS 38 -0.836 8.025 2.273 322 H ILE 39 H ILE 39 1.476 7.343 1.715 323 HA ILE 39 HA ILE 39 2.997 6.933 4.148 324 HB ILE 39 HB ILE 39 3.455 5.056 2.452 325 HG12 ILE 39 2HG1 ILE 39 5.891 6.593 3.356 326 HG13 ILE 39 3HG1 ILE 39 4.821 5.814 4.503 327 HG21 ILE 39 1HG2 ILE 39 5.144 7.204 1.152 328 HG22 ILE 39 2HG2 ILE 39 4.965 5.502 0.663 329 HG23 ILE 39 3HG2 ILE 39 3.594 6.625 0.497 330 HD11 ILE 39 1HD1 ILE 39 6.778 4.610 2.645 331 HD12 ILE 39 2HD1 ILE 39 6.083 3.951 4.146 332 HD13 ILE 39 3HD1 ILE 39 5.190 3.807 2.614 333 H ASP 40 H ASP 40 4.869 8.441 4.272 334 HA ASP 40 HA ASP 40 4.065 10.943 3.251 335 HB2 ASP 40 2HB ASP 40 6.285 11.682 4.327 336 HB3 ASP 40 3HB ASP 40 5.096 10.968 5.399 337 HD2 ASP 40 HD ASP 40 6.595 7.908 5.464 338 H ALA 41 H ALA 41 6.859 8.670 2.758 339 HA ALA 41 HA ALA 41 7.329 9.972 0.172 340 HB1 ALA 41 1HB ALA 41 9.213 9.517 2.458 341 HB2 ALA 41 2HB ALA 41 9.835 9.270 0.809 342 HB3 ALA 41 3HB ALA 41 9.153 10.846 1.276 343 H CYS 42 H CYS 42 8.434 8.510 -1.399 344 HA CYS 42 HA CYS 42 7.223 5.975 -1.336 345 HB2 CYS 42 2HB CYS 42 7.834 7.385 -3.361 346 HB3 CYS 42 3HB CYS 42 9.484 6.835 -3.143 347 HA PRO 43 HA PRO 43 10.383 4.286 1.301 348 HB2 PRO 43 2HB PRO 43 9.278 1.788 1.578 349 HB3 PRO 43 3HB PRO 43 8.749 3.172 2.467 350 HG2 PRO 43 2HG PRO 43 7.531 1.938 -0.040 351 HG3 PRO 43 3HG PRO 43 6.724 2.600 1.378 352 HD2 PRO 43 2HD PRO 43 6.950 4.053 -0.934 353 HD3 PRO 43 3HD PRO 43 6.848 4.796 0.632 354 H LYS 44 H LYS 44 11.603 2.008 1.554 355 HA LYS 44 HA LYS 44 12.911 1.653 -1.024 356 HB2 LYS 44 2HB LYS 44 13.711 1.463 1.821 357 HB3 LYS 44 3HB LYS 44 14.425 0.264 0.761 358 HG2 LYS 44 2HG LYS 44 15.929 1.864 0.170 359 HG3 LYS 44 3HG LYS 44 14.636 2.603 -0.752 360 HD2 LYS 44 2HD LYS 44 14.195 3.437 1.928 361 HD3 LYS 44 3HD LYS 44 15.929 3.551 1.697 362 HE2 LYS 44 2HE LYS 44 14.977 4.626 -0.682 363 HE3 LYS 44 3HE LYS 44 13.751 5.149 0.456 364 HZ1 LYS 44 1HZ LYS 44 15.755 6.602 0.197 365 HZ2 LYS 44 2HZ LYS 44 15.344 6.232 1.734 366 HZ3 LYS 44 3HZ LYS 44 16.605 5.479 1.021 367 H ASN 45 H ASN 45 12.520 -0.086 -2.284 368 HA ASN 45 HA ASN 45 10.675 -2.008 -1.392 369 HB2 ASN 45 2HB ASN 45 11.026 -3.029 -3.627 370 HB3 ASN 45 3HB ASN 45 10.874 -1.290 -3.783 371 HD21 ASN 45 1HD2 ASN 45 12.474 -0.115 -4.621 372 HD22 ASN 45 2HD2 ASN 45 14.017 -0.717 -5.128 373 H SER 46 H SER 46 11.113 -4.374 -1.189 374 HA SER 46 HA SER 46 13.932 -4.933 -0.702 375 HB2 SER 46 2HB SER 46 11.617 -6.093 0.907 376 HB3 SER 46 3HB SER 46 13.328 -6.299 1.227 377 HG SER 46 HG SER 46 12.111 -3.683 1.177 378 H LEU 47 H LEU 47 14.144 -7.546 -0.492 379 HA LEU 47 HA LEU 47 13.096 -8.525 -2.994 380 HB2 LEU 47 2HB LEU 47 15.487 -8.756 -2.021 381 HB3 LEU 47 3HB LEU 47 14.812 -10.066 -1.073 382 HG LEU 47 HG LEU 47 15.841 -11.013 -2.999 383 HD11 LEU 47 1HD1 LEU 47 12.893 -11.034 -3.660 384 HD12 LEU 47 2HD1 LEU 47 14.096 -12.326 -3.892 385 HD13 LEU 47 3HD1 LEU 47 13.574 -11.879 -2.250 386 HD21 LEU 47 1HD2 LEU 47 14.515 -8.769 -4.437 387 HD22 LEU 47 2HD2 LEU 47 16.134 -9.480 -4.648 388 HD23 LEU 47 3HD2 LEU 47 14.705 -10.309 -5.310 389 H LEU 48 H LEU 48 12.802 -9.189 0.535 390 HA LEU 48 HA LEU 48 10.995 -11.364 0.071 391 HB2 LEU 48 2HB LEU 48 12.086 -9.943 2.474 392 HB3 LEU 48 3HB LEU 48 10.718 -11.026 2.637 393 HG LEU 48 HG LEU 48 13.366 -11.846 1.419 394 HD11 LEU 48 1HD1 LEU 48 14.246 -11.894 3.454 395 HD12 LEU 48 2HD1 LEU 48 12.709 -11.361 4.177 396 HD13 LEU 48 3HD1 LEU 48 13.019 -13.096 3.924 397 HD21 LEU 48 1HD2 LEU 48 11.871 -13.999 2.564 398 HD22 LEU 48 2HD2 LEU 48 10.815 -13.087 1.458 399 HD23 LEU 48 3HD2 LEU 48 12.362 -13.744 0.873 400 H VAL 49 H VAL 49 10.826 -7.864 0.738 401 HA VAL 49 HA VAL 49 7.916 -8.084 0.412 402 HB VAL 49 HB VAL 49 9.388 -6.193 2.256 403 HG11 VAL 49 1HG1 VAL 49 7.406 -5.119 1.551 404 HG12 VAL 49 2HG1 VAL 49 6.461 -6.625 1.627 405 HG13 VAL 49 3HG1 VAL 49 7.007 -5.840 3.129 406 HG21 VAL 49 1HG2 VAL 49 7.549 -8.088 3.507 407 HG22 VAL 49 2HG2 VAL 49 8.905 -8.897 2.686 408 HG23 VAL 49 3HG2 VAL 49 9.225 -7.668 3.933 409 H LYS 50 H LYS 50 7.199 -6.987 -1.338 410 HA LYS 50 HA LYS 50 9.051 -5.063 -2.525 411 HB2 LYS 50 2HB LYS 50 8.347 -6.925 -3.942 412 HB3 LYS 50 3HB LYS 50 6.661 -6.528 -3.684 413 HG2 LYS 50 2HG LYS 50 6.889 -5.295 -5.601 414 HG3 LYS 50 3HG LYS 50 7.594 -4.092 -4.539 415 HD2 LYS 50 2HD LYS 50 9.812 -4.652 -5.147 416 HD3 LYS 50 3HD LYS 50 9.370 -6.260 -5.687 417 HE2 LYS 50 2HE LYS 50 7.850 -4.634 -7.373 418 HE3 LYS 50 3HE LYS 50 9.316 -3.694 -7.173 419 HZ1 LYS 50 1HZ LYS 50 9.685 -5.147 -8.939 420 HZ2 LYS 50 2HZ LYS 50 10.523 -5.799 -7.698 421 HZ3 LYS 50 3HZ LYS 50 9.093 -6.447 -8.149 422 H TYR 51 H TYR 51 8.705 -2.922 -2.299 423 HA TYR 51 HA TYR 51 6.042 -2.113 -1.363 424 HB2 TYR 51 2HB TYR 51 8.865 -0.879 -1.283 425 HB3 TYR 51 3HB TYR 51 7.452 -0.061 -0.653 426 HD1 TYR 51 1HD TYR 51 9.514 -3.144 -0.233 427 HD2 TYR 51 2HD TYR 51 6.728 -0.437 1.561 428 HE1 TYR 51 1HE TYR 51 9.854 -4.275 2.017 429 HE2 TYR 51 2HE TYR 51 7.078 -1.578 3.806 430 HH TYR 51 HH TYR 51 9.185 -4.419 4.076 431 H VAL 52 H VAL 52 4.738 -1.067 -2.776 432 HA VAL 52 HA VAL 52 6.063 0.391 -4.956 433 HB VAL 52 HB VAL 52 3.583 -1.332 -4.998 434 HG11 VAL 52 1HG1 VAL 52 3.044 0.631 -6.270 435 HG12 VAL 52 2HG1 VAL 52 4.626 0.606 -7.085 436 HG13 VAL 52 3HG1 VAL 52 3.432 -0.671 -7.420 437 HG21 VAL 52 1HG2 VAL 52 5.714 -2.540 -5.213 438 HG22 VAL 52 2HG2 VAL 52 4.783 -2.584 -6.730 439 HG23 VAL 52 3HG2 VAL 52 6.175 -1.487 -6.573 440 H CYS 53 H CYS 53 5.559 2.527 -5.079 441 HA CYS 53 HA CYS 53 3.312 3.394 -3.415 442 HB2 CYS 53 2HB CYS 53 4.412 5.421 -3.008 443 HB3 CYS 53 3HB CYS 53 5.606 4.161 -2.759 444 H CYS 54 H CYS 54 2.075 5.301 -4.315 445 HA CYS 54 HA CYS 54 2.416 5.789 -7.129 446 HB2 CYS 54 2HB CYS 54 -0.189 5.304 -7.318 447 HB3 CYS 54 3HB CYS 54 1.036 4.106 -7.691 448 H ASN 55 H ASN 55 1.041 7.670 -7.800 449 HA ASN 55 HA ASN 55 0.310 9.225 -5.446 450 HB2 ASN 55 2HB ASN 55 0.728 11.235 -6.896 451 HB3 ASN 55 3HB ASN 55 2.159 10.234 -6.740 452 HD21 ASN 55 1HD2 ASN 55 0.924 12.116 -8.833 453 HD22 ASN 55 2HD2 ASN 55 1.091 11.274 -10.336 454 H THR 56 H THR 56 -1.474 7.272 -6.671 455 HA THR 56 HA THR 56 -3.430 9.058 -7.968 456 HB THR 56 HB THR 56 -4.189 6.617 -8.831 457 HG1 THR 56 1HG THR 56 -1.281 6.522 -8.492 458 HG21 THR 56 1HG2 THR 56 -1.764 7.186 -10.327 459 HG22 THR 56 2HG2 THR 56 -3.452 7.452 -10.825 460 HG23 THR 56 3HG2 THR 56 -2.575 8.722 -9.937 461 H ASP 57 H ASP 57 -5.755 8.200 -7.677 462 HA ASP 57 HA ASP 57 -6.061 7.915 -4.843 463 HB2 ASP 57 2HB ASP 57 -7.785 8.640 -7.186 464 HB3 ASP 57 3HB ASP 57 -8.614 7.871 -5.846 465 HD2 ASP 57 HD ASP 57 -9.044 10.448 -4.114 466 H ARG 58 H ARG 58 -7.042 6.065 -3.825 467 HA ARG 58 HA ARG 58 -7.375 3.937 -3.554 468 HB2 ARG 58 2HB ARG 58 -9.225 4.790 -5.717 469 HB3 ARG 58 3HB ARG 58 -8.982 3.056 -5.663 470 HG2 ARG 58 2HG ARG 58 -10.293 2.871 -3.822 471 HG3 ARG 58 3HG ARG 58 -9.311 4.032 -2.950 472 HD2 ARG 58 2HD ARG 58 -11.316 5.210 -2.987 473 HD3 ARG 58 3HD ARG 58 -10.627 5.801 -4.486 474 HE ARG 58 HE ARG 58 -11.956 3.552 -5.329 475 HH11 ARG 58 1HH1 ARG 58 -15.297 4.562 -5.317 476 HH12 ARG 58 2HH1 ARG 58 -14.150 3.435 -5.961 477 HH21 ARG 58 1HH2 ARG 58 -14.607 6.189 -3.812 478 HH22 ARG 58 2HH2 ARG 58 -12.945 6.276 -3.334 479 H CYS 59 H CYS 59 -5.005 4.679 -5.218 480 HA CYS 59 HA CYS 59 -4.774 2.924 -7.386 481 HB2 CYS 59 2HB CYS 59 -2.524 3.548 -7.485 482 HB3 CYS 59 3HB CYS 59 -3.388 4.970 -6.936 483 H ASN 60 H ASN 60 -3.722 2.780 -3.913 484 HA ASN 60 HA ASN 60 -3.018 0.006 -4.322 485 HB2 ASN 60 2HB ASN 60 -1.872 0.157 -2.192 486 HB3 ASN 60 3HB ASN 60 -1.509 1.645 -3.043 487 HD21 ASN 60 1HD2 ASN 60 -3.685 0.169 -0.680 488 HD22 ASN 60 2HD2 ASN 60 -4.015 1.592 0.252 Start of MODEL 4 1 H1 LEU 1 H LEU 1 -5.756 13.720 -1.904 2 HA LEU 1 HA LEU 1 -5.693 11.670 -2.727 3 HB2 LEU 1 2HB LEU 1 -3.195 12.454 -2.510 4 HB3 LEU 1 3HB LEU 1 -3.094 11.154 -1.339 5 HG LEU 1 HG LEU 1 -4.285 9.848 -3.411 6 HD11 LEU 1 1HD1 LEU 1 -3.056 10.481 -5.475 7 HD12 LEU 1 2HD1 LEU 1 -4.225 11.710 -4.934 8 HD13 LEU 1 3HD1 LEU 1 -2.485 11.949 -4.645 9 HD21 LEU 1 1HD2 LEU 1 -1.478 10.157 -2.463 10 HD22 LEU 1 2HD2 LEU 1 -2.529 8.721 -2.510 11 HD23 LEU 1 3HD2 LEU 1 -1.743 9.298 -3.999 12 H LYS 2 H LYS 2 -6.301 9.505 -2.298 13 HA LYS 2 HA LYS 2 -6.454 8.851 0.559 14 HB2 LYS 2 2HB LYS 2 -8.645 8.612 -1.521 15 HB3 LYS 2 3HB LYS 2 -8.695 7.815 0.038 16 HG2 LYS 2 2HG LYS 2 -9.548 9.722 0.921 17 HG3 LYS 2 3HG LYS 2 -7.997 10.490 0.644 18 HD2 LYS 2 2HD LYS 2 -8.728 11.621 -1.232 19 HD3 LYS 2 3HD LYS 2 -9.739 10.294 -1.772 20 HE2 LYS 2 2HE LYS 2 -11.317 10.869 0.195 21 HE3 LYS 2 3HE LYS 2 -10.379 12.335 0.402 22 HZ1 LYS 2 1HZ LYS 2 -10.897 12.935 -1.851 23 HZ2 LYS 2 2HZ LYS 2 -11.723 11.547 -2.090 24 HZ3 LYS 2 3HZ LYS 2 -12.280 12.657 -1.030 25 H CYS 3 H CYS 3 -6.540 6.511 1.007 26 HA CYS 3 HA CYS 3 -5.492 4.948 -1.233 27 HB2 CYS 3 2HB CYS 3 -4.482 4.812 1.610 28 HB3 CYS 3 3HB CYS 3 -3.942 3.821 0.269 29 H ASN 4 H ASN 4 -6.193 2.723 -1.226 30 HA ASN 4 HA ASN 4 -8.668 2.359 0.064 31 HB2 ASN 4 2HB ASN 4 -7.614 1.355 -2.211 32 HB3 ASN 4 3HB ASN 4 -7.125 0.050 -1.145 33 HD21 ASN 4 1HD2 ASN 4 -9.556 1.300 -3.056 34 HD22 ASN 4 2HD2 ASN 4 -10.900 0.345 -2.526 35 H LYS 5 H LYS 5 -9.089 0.237 1.386 36 HA LYS 5 HA LYS 5 -6.988 0.031 3.384 37 HB2 LYS 5 2HB LYS 5 -9.861 -0.943 3.388 38 HB3 LYS 5 3HB LYS 5 -8.743 -1.080 4.730 39 HG2 LYS 5 2HG LYS 5 -8.887 1.666 3.633 40 HG3 LYS 5 3HG LYS 5 -10.433 1.090 4.225 41 HD2 LYS 5 2HD LYS 5 -9.397 0.503 6.413 42 HD3 LYS 5 3HD LYS 5 -7.829 1.018 5.824 43 HE2 LYS 5 2HE LYS 5 -8.520 2.952 6.943 44 HE3 LYS 5 3HE LYS 5 -9.070 3.311 5.320 45 HZ1 LYS 5 1HZ LYS 5 -11.000 3.609 6.363 46 HZ2 LYS 5 2HZ LYS 5 -11.145 1.984 6.291 47 HZ3 LYS 5 3HZ LYS 5 -10.607 2.697 7.658 48 H LEU 6 H LEU 6 -7.434 -2.533 4.393 49 HA LEU 6 HA LEU 6 -5.897 -4.052 2.593 50 HB2 LEU 6 2HB LEU 6 -6.208 -4.079 5.220 51 HB3 LEU 6 3HB LEU 6 -7.405 -5.301 4.844 52 HG LEU 6 HG LEU 6 -4.506 -5.424 3.969 53 HD11 LEU 6 1HD1 LEU 6 -5.909 -6.521 6.397 54 HD12 LEU 6 2HD1 LEU 6 -4.466 -7.314 5.722 55 HD13 LEU 6 3HD1 LEU 6 -4.373 -5.628 6.285 56 HD21 LEU 6 1HD2 LEU 6 -6.782 -6.831 3.057 57 HD22 LEU 6 2HD2 LEU 6 -5.068 -7.144 2.688 58 HD23 LEU 6 3HD2 LEU 6 -5.847 -7.962 4.064 59 H ILE 7 H ILE 7 -9.395 -3.920 3.404 60 HA ILE 7 HA ILE 7 -9.866 -6.014 1.422 61 HB ILE 7 HB ILE 7 -11.629 -4.777 3.537 62 HG12 ILE 7 2HG1 ILE 7 -10.237 -7.451 3.296 63 HG13 ILE 7 3HG1 ILE 7 -10.010 -6.227 4.530 64 HG21 ILE 7 1HG2 ILE 7 -12.589 -5.679 1.187 65 HG22 ILE 7 2HG2 ILE 7 -12.514 -7.210 2.092 66 HG23 ILE 7 3HG2 ILE 7 -13.452 -5.841 2.735 67 HD11 ILE 7 1HD1 ILE 7 -12.210 -6.605 5.456 68 HD12 ILE 7 2HD1 ILE 7 -12.690 -7.600 4.060 69 HD13 ILE 7 3HD1 ILE 7 -11.475 -8.208 5.209 70 HA PRO 8 HA PRO 8 -10.305 -2.740 -1.522 71 HB2 PRO 8 2HB PRO 8 -11.557 -5.042 -2.999 72 HB3 PRO 8 3HB PRO 8 -10.433 -3.872 -3.590 73 HG2 PRO 8 2HG PRO 8 -9.520 -6.309 -2.908 74 HG3 PRO 8 3HG PRO 8 -8.584 -4.895 -2.430 75 HD2 PRO 8 2HD PRO 8 -10.390 -6.578 -0.700 76 HD3 PRO 8 3HD PRO 8 -8.865 -5.854 -0.299 77 H LEU 9 H LEU 9 -11.969 -1.720 0.048 78 HA LEU 9 HA LEU 9 -14.215 -1.037 -1.475 79 HB2 LEU 9 2HB LEU 9 -15.966 -2.168 -0.594 80 HB3 LEU 9 3HB LEU 9 -14.740 -3.420 -0.563 81 HG LEU 9 HG LEU 9 -14.335 -2.522 1.897 82 HD11 LEU 9 1HD1 LEU 9 -16.930 -2.112 2.631 83 HD12 LEU 9 2HD1 LEU 9 -15.719 -0.829 2.395 84 HD13 LEU 9 3HD1 LEU 9 -16.855 -1.234 1.085 85 HD21 LEU 9 1HD2 LEU 9 -15.224 -4.789 0.977 86 HD22 LEU 9 2HD2 LEU 9 -15.487 -4.364 2.684 87 HD23 LEU 9 3HD2 LEU 9 -16.809 -4.179 1.507 88 H ALA 10 H ALA 10 -12.577 -1.301 1.698 89 HA ALA 10 HA ALA 10 -13.798 1.209 2.528 90 HB1 ALA 10 1HB ALA 10 -13.768 -0.577 4.167 91 HB2 ALA 10 2HB ALA 10 -12.022 -0.829 3.927 92 HB3 ALA 10 3HB ALA 10 -12.610 0.672 4.681 93 H TYR 11 H TYR 11 -12.611 3.121 2.871 94 HA TYR 11 HA TYR 11 -9.773 3.034 2.188 95 HB2 TYR 11 2HB TYR 11 -10.219 4.976 0.627 96 HB3 TYR 11 3HB TYR 11 -11.096 3.550 0.108 97 HD1 TYR 11 1HD TYR 11 -13.511 3.479 0.141 98 HD2 TYR 11 2HD TYR 11 -11.420 6.866 1.707 99 HE1 TYR 11 1HE TYR 11 -15.681 4.804 0.190 100 HE2 TYR 11 2HE TYR 11 -13.596 8.180 1.752 101 HH TYR 11 HH TYR 11 -16.635 6.669 0.691 102 H LYS 12 H LYS 12 -8.716 5.224 2.662 103 HA LYS 12 HA LYS 12 -10.171 6.887 4.509 104 HB2 LYS 12 2HB LYS 12 -9.497 5.124 6.021 105 HB3 LYS 12 3HB LYS 12 -7.846 5.179 5.438 106 HG2 LYS 12 2HG LYS 12 -8.108 7.789 6.132 107 HG3 LYS 12 3HG LYS 12 -9.299 7.113 7.224 108 HD2 LYS 12 2HD LYS 12 -7.237 7.094 8.447 109 HD3 LYS 12 3HD LYS 12 -7.508 5.430 7.972 110 HE2 LYS 12 2HE LYS 12 -6.063 6.025 5.855 111 HE3 LYS 12 3HE LYS 12 -5.557 7.429 6.775 112 HZ1 LYS 12 1HZ LYS 12 -4.946 5.856 8.565 113 HZ2 LYS 12 2HZ LYS 12 -5.235 4.615 7.543 114 HZ3 LYS 12 3HZ LYS 12 -4.054 5.693 7.207 115 H THR 13 H THR 13 -9.242 8.963 4.698 116 HA THR 13 HA THR 13 -7.576 9.698 2.528 117 HB THR 13 HB THR 13 -8.653 11.119 5.013 118 HG1 THR 13 1HG THR 13 -9.140 11.287 2.125 119 HG21 THR 13 1HG2 THR 13 -6.910 12.607 4.453 120 HG22 THR 13 2HG2 THR 13 -6.884 12.087 2.752 121 HG23 THR 13 3HG2 THR 13 -8.184 13.153 3.337 122 H CYS 14 H CYS 14 -5.442 10.477 2.478 123 HA CYS 14 HA CYS 14 -3.749 9.096 4.301 124 HB2 CYS 14 2HB CYS 14 -2.935 11.140 2.236 125 HB3 CYS 14 3HB CYS 14 -1.934 9.899 2.967 126 HA PRO 15 HA PRO 15 -4.077 12.302 7.365 127 HB2 PRO 15 2HB PRO 15 -1.618 10.873 8.340 128 HB3 PRO 15 3HB PRO 15 -2.987 11.399 9.251 129 HG2 PRO 15 2HG PRO 15 -2.816 8.803 8.584 130 HG3 PRO 15 3HG PRO 15 -4.372 9.608 8.409 131 HD2 PRO 15 2HD PRO 15 -2.391 8.936 6.226 132 HD3 PRO 15 3HD PRO 15 -4.120 8.795 6.206 133 H ALA 16 H ALA 16 -2.387 13.728 8.769 134 HA ALA 16 HA ALA 16 -1.374 15.588 6.941 135 HB1 ALA 16 1HB ALA 16 -0.177 16.286 9.258 136 HB2 ALA 16 2HB ALA 16 -1.902 16.583 8.939 137 HB3 ALA 16 3HB ALA 16 -1.405 15.169 9.898 138 H GLY 17 H GLY 17 0.415 15.439 5.692 139 HA2 GLY 17 1HA GLY 17 2.761 15.319 5.533 140 HA3 GLY 17 2HA GLY 17 2.799 14.166 6.852 141 H LYS 18 H LYS 18 0.425 12.629 5.750 142 HA LYS 18 HA LYS 18 1.965 11.122 3.788 143 HB2 LYS 18 2HB LYS 18 -0.160 10.486 5.781 144 HB3 LYS 18 3HB LYS 18 -0.143 9.541 4.306 145 HG2 LYS 18 2HG LYS 18 1.878 8.527 4.804 146 HG3 LYS 18 3HG LYS 18 2.531 9.957 5.579 147 HD2 LYS 18 2HD LYS 18 0.300 8.319 6.850 148 HD3 LYS 18 3HD LYS 18 1.990 7.927 7.100 149 HE2 LYS 18 2HE LYS 18 2.126 10.564 7.686 150 HE3 LYS 18 3HE LYS 18 0.432 10.322 8.057 151 HZ1 LYS 18 1HZ LYS 18 1.321 9.701 10.003 152 HZ2 LYS 18 2HZ LYS 18 1.456 8.245 9.276 153 HZ3 LYS 18 3HZ LYS 18 2.753 9.233 9.372 154 H ASN 19 H ASN 19 1.689 11.816 1.727 155 HA ASN 19 HA ASN 19 -1.077 12.278 0.937 156 HB2 ASN 19 2HB ASN 19 -0.403 14.121 -0.474 157 HB3 ASN 19 3HB ASN 19 0.377 14.402 1.070 158 HD21 ASN 19 1HD2 ASN 19 2.589 13.548 1.335 159 HD22 ASN 19 2HD2 ASN 19 3.684 13.622 -0.006 160 H LEU 20 H LEU 20 1.044 9.972 0.865 161 HA LEU 20 HA LEU 20 0.833 9.497 -2.023 162 HB2 LEU 20 2HB LEU 20 3.216 9.286 -0.231 163 HB3 LEU 20 3HB LEU 20 3.044 8.150 -1.554 164 HG LEU 20 HG LEU 20 2.887 11.132 -2.004 165 HD11 LEU 20 1HD1 LEU 20 5.297 9.432 -1.531 166 HD12 LEU 20 2HD1 LEU 20 5.374 10.681 -2.798 167 HD13 LEU 20 3HD1 LEU 20 4.991 11.138 -1.121 168 HD21 LEU 20 1HD2 LEU 20 2.374 10.450 -4.057 169 HD22 LEU 20 2HD2 LEU 20 4.049 9.863 -4.195 170 HD23 LEU 20 3HD2 LEU 20 2.758 8.755 -3.671 171 H CYS 21 H CYS 21 0.754 7.171 -2.596 172 HA CYS 21 HA CYS 21 -0.495 5.684 -0.406 173 HB2 CYS 21 2HB CYS 21 -1.004 5.779 -3.355 174 HB3 CYS 21 3HB CYS 21 -1.379 4.315 -2.466 175 H TYR 22 H TYR 22 0.120 3.427 -0.149 176 HA TYR 22 HA TYR 22 2.359 2.516 -1.776 177 HB2 TYR 22 2HB TYR 22 3.794 2.393 0.119 178 HB3 TYR 22 3HB TYR 22 2.875 3.825 0.536 179 HD1 TYR 22 1HD TYR 22 1.679 3.921 2.556 180 HD2 TYR 22 2HD TYR 22 2.941 0.122 1.047 181 HE1 TYR 22 1HE TYR 22 0.940 2.808 4.719 182 HE2 TYR 22 2HE TYR 22 2.198 -0.977 3.215 183 HH TYR 22 HH TYR 22 0.512 0.881 5.694 184 H LYS 23 H LYS 23 2.848 0.162 -1.362 185 HA LYS 23 HA LYS 23 0.722 -1.281 -0.026 186 HB2 LYS 23 2HB LYS 23 0.058 -2.567 -1.931 187 HB3 LYS 23 3HB LYS 23 -0.127 -0.871 -2.331 188 HG2 LYS 23 2HG LYS 23 2.081 -0.910 -3.511 189 HG3 LYS 23 3HG LYS 23 2.265 -2.607 -3.112 190 HD2 LYS 23 2HD LYS 23 1.408 -2.480 -5.379 191 HD3 LYS 23 3HD LYS 23 0.117 -3.090 -4.363 192 HE2 LYS 23 2HE LYS 23 -0.216 -0.298 -4.236 193 HE3 LYS 23 3HE LYS 23 0.257 -0.576 -5.901 194 HZ1 LYS 23 1HZ LYS 23 -2.003 -0.882 -5.907 195 HZ2 LYS 23 2HZ LYS 23 -1.474 -2.423 -5.798 196 HZ3 LYS 23 3HZ LYS 23 -2.044 -1.660 -4.471 197 H MET 24 H MET 24 1.567 -2.997 1.049 198 HA MET 24 HA MET 24 4.318 -3.650 0.371 199 HB2 MET 24 2HB MET 24 2.716 -3.423 2.854 200 HB3 MET 24 3HB MET 24 3.614 -4.927 2.801 201 HG2 MET 24 2HG MET 24 5.725 -3.681 2.384 202 HG3 MET 24 3HG MET 24 4.847 -2.165 2.351 203 HE1 MET 24 1HE MET 24 6.109 -5.068 3.987 204 HE2 MET 24 2HE MET 24 7.006 -4.132 5.207 205 HE3 MET 24 3HE MET 24 5.570 -5.068 5.683 206 H PHE 25 H PHE 25 4.701 -5.516 -0.734 207 HA PHE 25 HA PHE 25 2.653 -7.610 -0.521 208 HB2 PHE 25 2HB PHE 25 4.560 -6.592 -2.682 209 HB3 PHE 25 3HB PHE 25 3.974 -8.241 -2.779 210 HD1 PHE 25 1HD PHE 25 2.182 -5.147 -1.724 211 HD2 PHE 25 2HD PHE 25 2.510 -8.270 -4.579 212 HE1 PHE 25 1HE PHE 25 0.090 -4.337 -2.851 213 HE2 PHE 25 2HE PHE 25 0.418 -7.460 -5.705 214 HZ PHE 25 HZ PHE 25 -0.767 -5.503 -4.828 215 H MET 26 H MET 26 3.314 -9.794 -0.245 216 HA MET 26 HA MET 26 6.077 -10.004 0.662 217 HB2 MET 26 2HB MET 26 3.539 -11.571 1.381 218 HB3 MET 26 3HB MET 26 5.133 -12.037 1.943 219 HG2 MET 26 2HG MET 26 5.089 -9.354 2.636 220 HG3 MET 26 3HG MET 26 3.402 -9.780 2.830 221 HE1 MET 26 1HE MET 26 4.574 -8.695 4.881 222 HE2 MET 26 2HE MET 26 4.290 -9.742 6.292 223 HE3 MET 26 3HE MET 26 5.950 -9.449 5.720 224 H VAL 27 H VAL 27 7.395 -11.738 -0.059 225 HA VAL 27 HA VAL 27 7.079 -12.594 -2.627 226 HB VAL 27 HB VAL 27 9.030 -12.700 -0.848 227 HG11 VAL 27 1HG1 VAL 27 8.004 -14.437 0.545 228 HG12 VAL 27 2HG1 VAL 27 7.977 -15.549 -0.844 229 HG13 VAL 27 3HG1 VAL 27 9.532 -15.009 -0.164 230 HG21 VAL 27 1HG2 VAL 27 10.333 -13.782 -2.451 231 HG22 VAL 27 2HG2 VAL 27 9.010 -14.865 -2.945 232 HG23 VAL 27 3HG2 VAL 27 8.974 -13.147 -3.408 233 H SER 28 H SER 28 5.752 -13.964 0.390 234 HA SER 28 HA SER 28 5.113 -16.452 -0.369 235 HB2 SER 28 2HB SER 28 4.624 -15.616 1.862 236 HB3 SER 28 3HB SER 28 3.472 -14.453 1.239 237 HG SER 28 HG SER 28 2.246 -16.395 0.412 238 H ASN 29 H ASN 29 3.619 -13.380 -1.412 239 HA ASN 29 HA ASN 29 2.456 -14.694 -3.619 240 HB2 ASN 29 2HB ASN 29 0.769 -15.063 -1.675 241 HB3 ASN 29 3HB ASN 29 0.502 -13.331 -1.701 242 HD21 ASN 29 1HD2 ASN 29 -1.015 -15.910 -2.475 243 HD22 ASN 29 2HD2 ASN 29 -1.740 -15.542 -4.003 244 H LYS 30 H LYS 30 3.668 -13.078 -4.794 245 HA LYS 30 HA LYS 30 3.467 -10.323 -4.089 246 HB2 LYS 30 2HB LYS 30 5.091 -11.979 -5.776 247 HB3 LYS 30 3HB LYS 30 4.461 -10.659 -6.738 248 HG2 LYS 30 2HG LYS 30 5.191 -9.070 -4.859 249 HG3 LYS 30 3HG LYS 30 6.002 -10.433 -4.113 250 HD2 LYS 30 2HD LYS 30 6.627 -10.086 -7.002 251 HD3 LYS 30 3HD LYS 30 7.141 -8.747 -5.996 252 HE2 LYS 30 2HE LYS 30 9.002 -10.197 -5.905 253 HE3 LYS 30 3HE LYS 30 8.157 -10.573 -4.417 254 HZ1 LYS 30 1HZ LYS 30 8.802 -12.523 -5.728 255 HZ2 LYS 30 2HZ LYS 30 7.194 -12.462 -5.444 256 HZ3 LYS 30 3HZ LYS 30 7.778 -12.067 -6.917 257 H THR 31 H THR 31 1.244 -12.447 -5.376 258 HA THR 31 HA THR 31 0.110 -10.442 -7.196 259 HB THR 31 HB THR 31 -0.431 -13.430 -6.787 260 HG1 THR 31 1HG THR 31 1.626 -12.681 -7.814 261 HG21 THR 31 1HG2 THR 31 -1.292 -12.621 -9.333 262 HG22 THR 31 2HG2 THR 31 -2.358 -13.006 -7.960 263 HG23 THR 31 3HG2 THR 31 -1.880 -11.320 -8.270 264 H VAL 32 H VAL 32 0.020 -11.295 -3.960 265 HA VAL 32 HA VAL 32 -2.635 -10.103 -3.746 266 HB VAL 32 HB VAL 32 -1.738 -12.725 -2.560 267 HG11 VAL 32 1HG1 VAL 32 -3.842 -12.677 -1.221 268 HG12 VAL 32 2HG1 VAL 32 -2.650 -11.456 -0.714 269 HG13 VAL 32 3HG1 VAL 32 -4.059 -10.974 -1.689 270 HG21 VAL 32 1HG2 VAL 32 -2.968 -13.559 -4.223 271 HG22 VAL 32 2HG2 VAL 32 -4.404 -12.820 -3.474 272 HG23 VAL 32 3HG2 VAL 32 -3.491 -11.931 -4.718 273 HA PRO 33 HA PRO 33 -0.157 -7.708 -1.035 274 HB2 PRO 33 2HB PRO 33 -2.103 -5.978 -0.185 275 HB3 PRO 33 3HB PRO 33 -1.336 -5.862 -1.727 276 HG2 PRO 33 2HG PRO 33 -4.039 -7.084 -1.031 277 HG3 PRO 33 3HG PRO 33 -3.588 -6.100 -2.421 278 HD2 PRO 33 2HD PRO 33 -3.781 -8.833 -2.605 279 HD3 PRO 33 3HD PRO 33 -2.735 -7.891 -3.624 280 H VAL 34 H VAL 34 0.290 -7.084 1.168 281 HA VAL 34 HA VAL 34 -1.169 -8.763 3.090 282 HB VAL 34 HB VAL 34 1.331 -9.210 2.382 283 HG11 VAL 34 1HG1 VAL 34 2.937 -8.114 3.894 284 HG12 VAL 34 2HG1 VAL 34 2.138 -6.939 2.823 285 HG13 VAL 34 3HG1 VAL 34 1.635 -7.077 4.524 286 HG21 VAL 34 1HG2 VAL 34 1.450 -10.559 4.209 287 HG22 VAL 34 2HG2 VAL 34 1.011 -9.255 5.340 288 HG23 VAL 34 3HG2 VAL 34 -0.253 -10.070 4.386 289 H LYS 35 H LYS 35 0.358 -5.621 2.322 290 HA LYS 35 HA LYS 35 -1.269 -4.444 4.426 291 HB2 LYS 35 2HB LYS 35 1.735 -4.354 4.311 292 HB3 LYS 35 3HB LYS 35 0.842 -3.000 4.973 293 HG2 LYS 35 2HG LYS 35 0.251 -5.834 5.898 294 HG3 LYS 35 3HG LYS 35 1.592 -4.937 6.585 295 HD2 LYS 35 2HD LYS 35 -0.593 -3.121 6.608 296 HD3 LYS 35 3HD LYS 35 -1.275 -4.659 7.105 297 HE2 LYS 35 2HE LYS 35 -0.174 -4.636 9.112 298 HE3 LYS 35 3HE LYS 35 1.336 -4.120 8.384 299 HZ1 LYS 35 1HZ LYS 35 0.240 -2.498 9.892 300 HZ2 LYS 35 2HZ LYS 35 0.624 -1.904 8.420 301 HZ3 LYS 35 3HZ LYS 35 -0.925 -2.292 8.766 302 H ARG 36 H ARG 36 -1.940 -2.316 3.956 303 HA ARG 36 HA ARG 36 -0.812 -1.067 1.648 304 HB2 ARG 36 2HB ARG 36 -3.434 -2.472 1.595 305 HB3 ARG 36 3HB ARG 36 -3.519 -0.819 1.023 306 HG2 ARG 36 2HG ARG 36 -2.772 -1.607 -0.976 307 HG3 ARG 36 3HG ARG 36 -1.199 -1.756 -0.215 308 HD2 ARG 36 2HD ARG 36 -1.544 -3.937 -1.038 309 HD3 ARG 36 3HD ARG 36 -2.074 -4.096 0.625 310 HE ARG 36 HE ARG 36 -4.239 -4.494 -0.148 311 HH11 ARG 36 1HH1 ARG 36 -5.705 -3.984 -3.273 312 HH12 ARG 36 2HH1 ARG 36 -5.920 -4.649 -1.689 313 HH21 ARG 36 1HH2 ARG 36 -3.711 -2.935 -3.832 314 HH22 ARG 36 2HH2 ARG 36 -2.437 -2.818 -2.663 315 H GLY 37 H GLY 37 -1.136 1.216 1.700 316 HA2 GLY 37 1HA GLY 37 -3.171 2.524 3.109 317 HA3 GLY 37 2HA GLY 37 -1.798 2.358 4.183 318 H CYS 38 H CYS 38 -1.621 4.738 4.120 319 HA CYS 38 HA CYS 38 -0.584 5.722 1.572 320 HB2 CYS 38 2HB CYS 38 -1.689 7.208 3.959 321 HB3 CYS 38 3HB CYS 38 -0.965 7.981 2.564 322 H ILE 39 H ILE 39 1.319 7.304 1.812 323 HA ILE 39 HA ILE 39 2.883 6.909 4.218 324 HB ILE 39 HB ILE 39 3.338 5.013 2.572 325 HG12 ILE 39 2HG1 ILE 39 5.645 6.748 3.503 326 HG13 ILE 39 3HG1 ILE 39 4.767 5.606 4.501 327 HG21 ILE 39 1HG2 ILE 39 5.093 5.670 0.841 328 HG22 ILE 39 2HG2 ILE 39 3.399 6.076 0.477 329 HG23 ILE 39 3HG2 ILE 39 4.514 7.340 1.050 330 HD11 ILE 39 1HD1 ILE 39 6.189 3.990 3.799 331 HD12 ILE 39 2HD1 ILE 39 5.489 4.150 2.170 332 HD13 ILE 39 3HD1 ILE 39 6.927 5.100 2.619 333 H ASP 40 H ASP 40 4.746 8.427 4.306 334 HA ASP 40 HA ASP 40 3.917 10.913 3.248 335 HB2 ASP 40 2HB ASP 40 6.180 11.643 4.321 336 HB3 ASP 40 3HB ASP 40 4.911 11.066 5.381 337 HD2 ASP 40 HD ASP 40 6.515 8.785 6.818 338 H ALA 41 H ALA 41 6.596 8.541 2.729 339 HA ALA 41 HA ALA 41 7.152 9.856 0.174 340 HB1 ALA 41 1HB ALA 41 9.257 10.409 0.749 341 HB2 ALA 41 2HB ALA 41 8.815 10.049 2.434 342 HB3 ALA 41 3HB ALA 41 9.562 8.790 1.422 343 H CYS 42 H CYS 42 8.428 8.343 -1.300 344 HA CYS 42 HA CYS 42 7.136 5.820 -1.245 345 HB2 CYS 42 2HB CYS 42 7.775 7.230 -3.278 346 HB3 CYS 42 3HB CYS 42 9.406 6.623 -3.061 347 HA PRO 43 HA PRO 43 10.268 4.124 1.407 348 HB2 PRO 43 2HB PRO 43 9.218 1.593 1.589 349 HB3 PRO 43 3HB PRO 43 8.635 2.939 2.500 350 HG2 PRO 43 2HG PRO 43 7.509 1.746 -0.069 351 HG3 PRO 43 3HG PRO 43 6.651 2.353 1.344 352 HD2 PRO 43 2HD PRO 43 6.899 3.874 -0.920 353 HD3 PRO 43 3HD PRO 43 6.749 4.571 0.662 354 H LYS 44 H LYS 44 11.534 1.867 1.643 355 HA LYS 44 HA LYS 44 12.915 1.600 -0.911 356 HB2 LYS 44 2HB LYS 44 14.160 2.239 1.167 357 HB3 LYS 44 3HB LYS 44 13.764 0.674 1.848 358 HG2 LYS 44 2HG LYS 44 14.817 -0.350 -0.297 359 HG3 LYS 44 3HG LYS 44 15.453 1.251 -0.621 360 HD2 LYS 44 2HD LYS 44 15.895 0.105 2.132 361 HD3 LYS 44 3HD LYS 44 16.835 -0.566 0.815 362 HE2 LYS 44 2HE LYS 44 16.748 2.393 0.758 363 HE3 LYS 44 3HE LYS 44 17.445 1.767 2.240 364 HZ1 LYS 44 1HZ LYS 44 18.399 1.491 -0.476 365 HZ2 LYS 44 2HZ LYS 44 19.241 1.738 0.902 366 HZ3 LYS 44 3HZ LYS 44 18.686 0.246 0.540 367 H ASN 45 H ASN 45 12.355 -0.038 -2.231 368 HA ASN 45 HA ASN 45 10.643 -2.053 -1.382 369 HB2 ASN 45 2HB ASN 45 11.059 -3.035 -3.629 370 HB3 ASN 45 3HB ASN 45 10.842 -1.301 -3.756 371 HD21 ASN 45 1HD2 ASN 45 12.410 -0.047 -4.540 372 HD22 ASN 45 2HD2 ASN 45 13.978 -0.582 -5.047 373 H SER 46 H SER 46 11.124 -4.409 -1.205 374 HA SER 46 HA SER 46 13.945 -4.910 -0.659 375 HB2 SER 46 2HB SER 46 11.603 -6.190 0.813 376 HB3 SER 46 3HB SER 46 13.305 -6.373 1.190 377 HG SER 46 HG SER 46 11.911 -4.735 2.450 378 H LEU 47 H LEU 47 14.230 -7.522 -0.533 379 HA LEU 47 HA LEU 47 13.376 -8.434 -3.120 380 HB2 LEU 47 2HB LEU 47 15.667 -8.705 -1.924 381 HB3 LEU 47 3HB LEU 47 14.903 -10.055 -1.109 382 HG LEU 47 HG LEU 47 16.182 -10.821 -3.022 383 HD11 LEU 47 1HD1 LEU 47 13.215 -11.072 -3.585 384 HD12 LEU 47 2HD1 LEU 47 14.505 -12.175 -4.122 385 HD13 LEU 47 3HD1 LEU 47 14.123 -12.028 -2.389 386 HD21 LEU 47 1HD2 LEU 47 15.676 -10.197 -5.302 387 HD22 LEU 47 2HD2 LEU 47 14.364 -9.125 -4.754 388 HD23 LEU 47 3HD2 LEU 47 16.055 -8.740 -4.351 389 H LEU 48 H LEU 48 12.855 -9.346 0.341 390 HA LEU 48 HA LEU 48 11.014 -11.411 -0.411 391 HB2 LEU 48 2HB LEU 48 12.029 -10.262 2.167 392 HB3 LEU 48 3HB LEU 48 10.629 -11.315 2.161 393 HG LEU 48 HG LEU 48 12.494 -12.710 0.634 394 HD11 LEU 48 1HD1 LEU 48 14.570 -12.200 1.217 395 HD12 LEU 48 2HD1 LEU 48 13.946 -10.815 2.145 396 HD13 LEU 48 3HD1 LEU 48 14.173 -12.391 2.941 397 HD21 LEU 48 1HD2 LEU 48 12.716 -13.793 3.163 398 HD22 LEU 48 2HD2 LEU 48 11.152 -12.945 3.221 399 HD23 LEU 48 3HD2 LEU 48 11.455 -14.169 1.964 400 H VAL 49 H VAL 49 10.908 -7.993 0.627 401 HA VAL 49 HA VAL 49 7.991 -8.117 0.276 402 HB VAL 49 HB VAL 49 9.603 -6.278 2.057 403 HG11 VAL 49 1HG1 VAL 49 6.725 -6.515 2.551 404 HG12 VAL 49 2HG1 VAL 49 7.748 -5.066 2.404 405 HG13 VAL 49 3HG1 VAL 49 7.102 -5.851 0.944 406 HG21 VAL 49 1HG2 VAL 49 9.081 -8.926 2.541 407 HG22 VAL 49 2HG2 VAL 49 9.322 -7.685 3.794 408 HG23 VAL 49 3HG2 VAL 49 7.674 -8.135 3.293 409 H LYS 50 H LYS 50 7.247 -7.021 -1.464 410 HA LYS 50 HA LYS 50 9.091 -5.107 -2.691 411 HB2 LYS 50 2HB LYS 50 8.483 -6.943 -4.134 412 HB3 LYS 50 3HB LYS 50 6.776 -6.703 -3.820 413 HG2 LYS 50 2HG LYS 50 7.173 -5.647 -5.929 414 HG3 LYS 50 3HG LYS 50 7.046 -4.331 -4.778 415 HD2 LYS 50 2HD LYS 50 9.605 -4.396 -4.576 416 HD3 LYS 50 3HD LYS 50 9.613 -5.523 -5.918 417 HE2 LYS 50 2HE LYS 50 8.114 -2.907 -6.210 418 HE3 LYS 50 3HE LYS 50 9.861 -2.904 -6.350 419 HZ1 LYS 50 1HZ LYS 50 7.898 -4.088 -8.094 420 HZ2 LYS 50 2HZ LYS 50 9.333 -3.397 -8.456 421 HZ3 LYS 50 3HZ LYS 50 9.283 -4.933 -7.904 422 H TYR 51 H TYR 51 8.713 -2.978 -2.430 423 HA TYR 51 HA TYR 51 6.055 -2.211 -1.471 424 HB2 TYR 51 2HB TYR 51 8.826 -0.866 -1.607 425 HB3 TYR 51 3HB TYR 51 7.418 -0.088 -0.915 426 HD1 TYR 51 1HD TYR 51 7.166 -0.173 1.390 427 HD2 TYR 51 2HD TYR 51 9.328 -3.306 -0.564 428 HE1 TYR 51 1HE TYR 51 7.704 -1.216 3.645 429 HE2 TYR 51 2HE TYR 51 9.859 -4.339 1.698 430 HH TYR 51 HH TYR 51 9.941 -3.888 3.906 431 H VAL 52 H VAL 52 4.677 -1.001 -2.697 432 HA VAL 52 HA VAL 52 5.819 0.293 -5.069 433 HB VAL 52 HB VAL 52 3.408 -1.508 -4.869 434 HG11 VAL 52 1HG1 VAL 52 2.850 0.625 -6.071 435 HG12 VAL 52 2HG1 VAL 52 4.132 0.238 -7.243 436 HG13 VAL 52 3HG1 VAL 52 2.725 -0.839 -7.076 437 HG21 VAL 52 1HG2 VAL 52 5.410 -1.673 -7.074 438 HG22 VAL 52 2HG2 VAL 52 5.936 -2.190 -5.454 439 HG23 VAL 52 3HG2 VAL 52 4.529 -2.964 -6.223 440 H CYS 53 H CYS 53 5.389 2.437 -5.084 441 HA CYS 53 HA CYS 53 3.137 3.311 -3.428 442 HB2 CYS 53 2HB CYS 53 4.267 5.309 -2.961 443 HB3 CYS 53 3HB CYS 53 5.436 4.022 -2.720 444 H CYS 54 H CYS 54 1.877 5.169 -4.315 445 HA CYS 54 HA CYS 54 2.268 5.636 -7.153 446 HB2 CYS 54 2HB CYS 54 -0.333 5.388 -7.329 447 HB3 CYS 54 3HB CYS 54 0.734 4.015 -7.546 448 H ASN 55 H ASN 55 0.969 7.592 -7.856 449 HA ASN 55 HA ASN 55 0.544 9.313 -5.544 450 HB2 ASN 55 2HB ASN 55 1.012 11.210 -7.130 451 HB3 ASN 55 3HB ASN 55 2.367 10.104 -7.008 452 HD21 ASN 55 1HD2 ASN 55 3.147 10.760 -9.007 453 HD22 ASN 55 2HD2 ASN 55 2.448 10.249 -10.507 454 H THR 56 H THR 56 -1.492 7.482 -6.491 455 HA THR 56 HA THR 56 -3.420 9.397 -7.621 456 HB THR 56 HB THR 56 -4.337 7.052 -8.612 457 HG1 THR 56 1HG THR 56 -2.363 6.098 -7.447 458 HG21 THR 56 1HG2 THR 56 -2.173 7.567 -10.371 459 HG22 THR 56 2HG2 THR 56 -3.819 8.230 -10.504 460 HG23 THR 56 3HG2 THR 56 -2.558 9.147 -9.647 461 H ASP 57 H ASP 57 -5.753 8.591 -7.231 462 HA ASP 57 HA ASP 57 -5.861 8.074 -4.413 463 HB2 ASP 57 2HB ASP 57 -7.970 9.026 -4.496 464 HB3 ASP 57 3HB ASP 57 -7.293 9.743 -5.945 465 HD2 ASP 57 HD ASP 57 -7.915 8.828 -7.895 466 H ARG 58 H ARG 58 -7.071 6.250 -3.493 467 HA ARG 58 HA ARG 58 -7.370 4.083 -3.392 468 HB2 ARG 58 2HB ARG 58 -9.399 5.261 -5.206 469 HB3 ARG 58 3HB ARG 58 -9.250 3.526 -5.398 470 HG2 ARG 58 2HG ARG 58 -10.299 3.132 -3.422 471 HG3 ARG 58 3HG ARG 58 -9.223 4.212 -2.560 472 HD2 ARG 58 2HD ARG 58 -11.186 5.407 -2.265 473 HD3 ARG 58 3HD ARG 58 -10.710 6.095 -3.805 474 HE ARG 58 HE ARG 58 -12.158 3.852 -4.545 475 HH11 ARG 58 1HH1 ARG 58 -15.438 4.981 -4.173 476 HH12 ARG 58 2HH1 ARG 58 -14.409 3.815 -4.935 477 HH21 ARG 58 1HH2 ARG 58 -14.532 6.580 -2.757 478 HH22 ARG 58 2HH2 ARG 58 -12.824 6.607 -2.461 479 H CYS 59 H CYS 59 -5.002 4.342 -4.712 480 HA CYS 59 HA CYS 59 -5.200 2.869 -7.203 481 HB2 CYS 59 2HB CYS 59 -2.791 3.327 -7.403 482 HB3 CYS 59 3HB CYS 59 -3.769 4.774 -7.279 483 H ASN 60 H ASN 60 -3.973 2.669 -3.823 484 HA ASN 60 HA ASN 60 -3.143 -0.057 -4.354 485 HB2 ASN 60 2HB ASN 60 -1.890 0.089 -2.270 486 HB3 ASN 60 3HB ASN 60 -1.589 1.575 -3.149 487 HD21 ASN 60 1HD2 ASN 60 -3.647 0.097 -0.676 488 HD22 ASN 60 2HD2 ASN 60 -3.926 1.520 0.271 Start of MODEL 5 1 H1 LEU 1 H LEU 1 -4.634 13.661 -1.445 2 HA LEU 1 HA LEU 1 -5.944 11.734 -2.778 3 HB2 LEU 1 2HB LEU 1 -3.425 12.420 -2.618 4 HB3 LEU 1 3HB LEU 1 -3.321 11.085 -1.487 5 HG LEU 1 HG LEU 1 -4.596 9.847 -3.533 6 HD11 LEU 1 1HD1 LEU 1 -2.715 11.761 -4.929 7 HD12 LEU 1 2HD1 LEU 1 -3.769 10.527 -5.659 8 HD13 LEU 1 3HD1 LEU 1 -4.482 11.963 -4.885 9 HD21 LEU 1 1HD2 LEU 1 -1.643 10.022 -3.825 10 HD22 LEU 1 2HD2 LEU 1 -2.275 9.520 -2.239 11 HD23 LEU 1 3HD2 LEU 1 -2.709 8.602 -3.701 12 H LYS 2 H LYS 2 -6.636 9.583 -2.446 13 HA LYS 2 HA LYS 2 -6.788 8.818 0.386 14 HB2 LYS 2 2HB LYS 2 -8.927 8.531 -1.744 15 HB3 LYS 2 3HB LYS 2 -9.010 7.829 -0.140 16 HG2 LYS 2 2HG LYS 2 -9.988 9.788 0.496 17 HG3 LYS 2 3HG LYS 2 -8.374 10.471 0.440 18 HD2 LYS 2 2HD LYS 2 -9.268 11.934 -1.074 19 HD3 LYS 2 3HD LYS 2 -9.073 10.623 -2.220 20 HE2 LYS 2 2HE LYS 2 -11.329 10.967 -2.556 21 HE3 LYS 2 3HE LYS 2 -11.474 9.894 -1.177 22 HZ1 LYS 2 1HZ LYS 2 -11.235 12.792 -0.835 23 HZ2 LYS 2 2HZ LYS 2 -12.682 12.072 -1.064 24 HZ3 LYS 2 3HZ LYS 2 -11.778 11.691 0.242 25 H CYS 3 H CYS 3 -6.618 6.556 0.845 26 HA CYS 3 HA CYS 3 -5.663 4.997 -1.443 27 HB2 CYS 3 2HB CYS 3 -4.530 4.860 1.353 28 HB3 CYS 3 3HB CYS 3 -3.990 3.955 -0.047 29 H ASN 4 H ASN 4 -6.197 2.701 -1.317 30 HA ASN 4 HA ASN 4 -8.656 2.262 -0.037 31 HB2 ASN 4 2HB ASN 4 -7.482 1.171 -2.215 32 HB3 ASN 4 3HB ASN 4 -6.953 -0.027 -1.050 33 HD21 ASN 4 1HD2 ASN 4 -9.480 1.122 -2.989 34 HD22 ASN 4 2HD2 ASN 4 -10.754 0.071 -2.468 35 H LYS 5 H LYS 5 -8.990 0.238 1.436 36 HA LYS 5 HA LYS 5 -6.905 0.271 3.464 37 HB2 LYS 5 2HB LYS 5 -9.746 -0.791 3.517 38 HB3 LYS 5 3HB LYS 5 -8.637 -0.810 4.873 39 HG2 LYS 5 2HG LYS 5 -8.840 1.855 3.602 40 HG3 LYS 5 3HG LYS 5 -10.379 1.278 4.211 41 HD2 LYS 5 2HD LYS 5 -7.814 1.296 5.868 42 HD3 LYS 5 3HD LYS 5 -8.989 2.596 5.893 43 HE2 LYS 5 2HE LYS 5 -10.744 1.063 6.702 44 HE3 LYS 5 3HE LYS 5 -9.667 -0.311 6.545 45 HZ1 LYS 5 1HZ LYS 5 -9.315 1.964 8.369 46 HZ2 LYS 5 2HZ LYS 5 -9.677 0.426 8.783 47 HZ3 LYS 5 3HZ LYS 5 -8.208 0.781 8.163 48 H LEU 6 H LEU 6 -7.321 -2.240 4.656 49 HA LEU 6 HA LEU 6 -5.683 -3.831 3.013 50 HB2 LEU 6 2HB LEU 6 -6.084 -3.691 5.626 51 HB3 LEU 6 3HB LEU 6 -7.233 -4.972 5.293 52 HG LEU 6 HG LEU 6 -4.323 -5.087 4.465 53 HD11 LEU 6 1HD1 LEU 6 -3.702 -5.695 6.509 54 HD12 LEU 6 2HD1 LEU 6 -5.299 -5.159 7.083 55 HD13 LEU 6 3HD1 LEU 6 -5.038 -6.863 6.639 56 HD21 LEU 6 1HD2 LEU 6 -5.705 -7.610 4.886 57 HD22 LEU 6 2HD2 LEU 6 -6.502 -6.612 3.647 58 HD23 LEU 6 3HD2 LEU 6 -4.779 -7.029 3.481 59 H ILE 7 H ILE 7 -9.209 -3.742 3.691 60 HA ILE 7 HA ILE 7 -9.551 -5.977 1.839 61 HB ILE 7 HB ILE 7 -11.414 -4.669 3.821 62 HG12 ILE 7 2HG1 ILE 7 -9.918 -7.294 3.780 63 HG13 ILE 7 3HG1 ILE 7 -9.814 -6.007 4.964 64 HG21 ILE 7 1HG2 ILE 7 -12.401 -5.580 1.580 65 HG22 ILE 7 2HG2 ILE 7 -12.091 -7.172 2.312 66 HG23 ILE 7 3HG2 ILE 7 -13.160 -6.010 3.132 67 HD11 ILE 7 1HD1 ILE 7 -11.210 -7.999 5.694 68 HD12 ILE 7 2HD1 ILE 7 -12.068 -6.441 5.763 69 HD13 ILE 7 3HD1 ILE 7 -12.378 -7.568 4.421 70 HA PRO 8 HA PRO 8 -9.997 -2.892 -1.305 71 HB2 PRO 8 2HB PRO 8 -11.073 -5.326 -2.706 72 HB3 PRO 8 3HB PRO 8 -9.972 -4.139 -3.307 73 HG2 PRO 8 2HG PRO 8 -8.991 -6.493 -2.449 74 HG3 PRO 8 3HG PRO 8 -8.140 -5.016 -2.005 75 HD2 PRO 8 2HD PRO 8 -9.970 -6.682 -0.278 76 HD3 PRO 8 3HD PRO 8 -8.490 -5.887 0.157 77 H LEU 9 H LEU 9 -11.762 -1.835 0.094 78 HA LEU 9 HA LEU 9 -13.961 -1.344 -1.545 79 HB2 LEU 9 2HB LEU 9 -15.707 -2.519 -0.711 80 HB3 LEU 9 3HB LEU 9 -14.429 -3.710 -0.560 81 HG LEU 9 HG LEU 9 -14.195 -2.709 1.876 82 HD11 LEU 9 1HD1 LEU 9 -15.664 -0.931 1.948 83 HD12 LEU 9 2HD1 LEU 9 -16.895 -1.762 0.966 84 HD13 LEU 9 3HD1 LEU 9 -16.637 -2.239 2.662 85 HD21 LEU 9 1HD2 LEU 9 -15.255 -4.584 2.653 86 HD22 LEU 9 2HD2 LEU 9 -16.610 -4.436 1.507 87 HD23 LEU 9 3HD2 LEU 9 -15.029 -5.032 0.945 88 H ALA 10 H ALA 10 -12.482 -1.402 1.714 89 HA ALA 10 HA ALA 10 -13.827 1.117 2.330 90 HB1 ALA 10 1HB ALA 10 -11.996 -0.067 4.321 91 HB2 ALA 10 2HB ALA 10 -13.687 0.465 4.495 92 HB3 ALA 10 3HB ALA 10 -13.324 -1.146 3.831 93 H TYR 11 H TYR 11 -12.750 3.064 2.396 94 HA TYR 11 HA TYR 11 -9.836 2.946 2.028 95 HB2 TYR 11 2HB TYR 11 -10.220 4.908 0.454 96 HB3 TYR 11 3HB TYR 11 -11.026 3.459 -0.117 97 HD1 TYR 11 1HD TYR 11 -13.529 3.197 0.332 98 HD2 TYR 11 2HD TYR 11 -11.443 6.889 0.900 99 HE1 TYR 11 1HE TYR 11 -15.732 4.464 0.248 100 HE2 TYR 11 2HE TYR 11 -13.653 8.143 0.815 101 HH TYR 11 HH TYR 11 -15.848 7.922 0.907 102 H LYS 12 H LYS 12 -8.800 5.154 2.516 103 HA LYS 12 HA LYS 12 -10.326 6.815 4.307 104 HB2 LYS 12 2HB LYS 12 -9.365 4.750 5.596 105 HB3 LYS 12 3HB LYS 12 -7.832 5.588 5.458 106 HG2 LYS 12 2HG LYS 12 -8.433 6.815 7.270 107 HG3 LYS 12 3HG LYS 12 -9.627 7.607 6.261 108 HD2 LYS 12 2HD LYS 12 -10.175 4.969 7.692 109 HD3 LYS 12 3HD LYS 12 -10.511 6.527 8.422 110 HE2 LYS 12 2HE LYS 12 -11.582 6.052 5.647 111 HE3 LYS 12 3HE LYS 12 -12.354 5.186 6.961 112 HZ1 LYS 12 1HZ LYS 12 -13.054 7.114 7.906 113 HZ2 LYS 12 2HZ LYS 12 -11.856 8.030 7.282 114 HZ3 LYS 12 3HZ LYS 12 -13.100 7.558 6.335 115 H THR 13 H THR 13 -9.346 8.883 4.617 116 HA THR 13 HA THR 13 -7.691 9.667 2.453 117 HB THR 13 HB THR 13 -8.472 11.142 5.024 118 HG1 THR 13 1HG THR 13 -9.651 10.934 2.342 119 HG21 THR 13 1HG2 THR 13 -8.469 13.108 3.371 120 HG22 THR 13 2HG2 THR 13 -6.856 12.470 3.771 121 HG23 THR 13 3HG2 THR 13 -7.624 12.039 2.225 122 H CYS 14 H CYS 14 -5.548 10.439 2.419 123 HA CYS 14 HA CYS 14 -3.854 8.966 4.167 124 HB2 CYS 14 2HB CYS 14 -3.006 11.091 2.204 125 HB3 CYS 14 3HB CYS 14 -2.050 9.767 2.842 126 HA PRO 15 HA PRO 15 -4.128 12.040 7.368 127 HB2 PRO 15 2HB PRO 15 -1.663 10.559 8.248 128 HB3 PRO 15 3HB PRO 15 -3.016 11.054 9.201 129 HG2 PRO 15 2HG PRO 15 -2.871 8.487 8.421 130 HG3 PRO 15 3HG PRO 15 -4.425 9.309 8.309 131 HD2 PRO 15 2HD PRO 15 -2.491 8.712 6.064 132 HD3 PRO 15 3HD PRO 15 -4.222 8.598 6.068 133 H ALA 16 H ALA 16 -2.395 13.384 8.816 134 HA ALA 16 HA ALA 16 -1.386 15.309 7.038 135 HB1 ALA 16 1HB ALA 16 -2.188 15.453 9.529 136 HB2 ALA 16 2HB ALA 16 -0.502 15.029 9.912 137 HB3 ALA 16 3HB ALA 16 -0.860 16.503 8.982 138 H GLY 17 H GLY 17 0.411 15.197 5.799 139 HA2 GLY 17 1HA GLY 17 2.760 15.069 5.657 140 HA3 GLY 17 2HA GLY 17 2.779 13.864 6.930 141 H LYS 18 H LYS 18 0.406 12.386 5.754 142 HA LYS 18 HA LYS 18 1.952 10.946 3.746 143 HB2 LYS 18 2HB LYS 18 -0.359 10.233 5.546 144 HB3 LYS 18 3HB LYS 18 0.015 9.258 4.139 145 HG2 LYS 18 2HG LYS 18 2.329 8.910 4.948 146 HG3 LYS 18 3HG LYS 18 2.040 9.971 6.313 147 HD2 LYS 18 2HD LYS 18 -0.004 8.280 6.757 148 HD3 LYS 18 3HD LYS 18 0.990 7.185 5.816 149 HE2 LYS 18 2HE LYS 18 2.721 8.507 7.702 150 HE3 LYS 18 3HE LYS 18 1.304 7.967 8.582 151 HZ1 LYS 18 1HZ LYS 18 1.734 5.805 8.073 152 HZ2 LYS 18 2HZ LYS 18 2.565 6.137 6.707 153 HZ3 LYS 18 3HZ LYS 18 3.262 6.371 8.164 154 H ASN 19 H ASN 19 1.713 11.818 1.739 155 HA ASN 19 HA ASN 19 -1.045 12.335 0.944 156 HB2 ASN 19 2HB ASN 19 -0.285 14.174 -0.445 157 HB3 ASN 19 3HB ASN 19 0.457 14.406 1.125 158 HD21 ASN 19 1HD2 ASN 19 2.644 13.923 1.444 159 HD22 ASN 19 2HD2 ASN 19 3.776 13.834 0.138 160 H LEU 20 H LEU 20 1.208 10.053 0.785 161 HA LEU 20 HA LEU 20 0.885 9.617 -2.103 162 HB2 LEU 20 2HB LEU 20 3.278 9.276 -0.333 163 HB3 LEU 20 3HB LEU 20 3.076 8.246 -1.737 164 HG LEU 20 HG LEU 20 2.883 11.225 -2.064 165 HD11 LEU 20 1HD1 LEU 20 5.283 9.729 -1.235 166 HD12 LEU 20 2HD1 LEU 20 5.498 10.759 -2.671 167 HD13 LEU 20 3HD1 LEU 20 4.916 11.469 -1.146 168 HD21 LEU 20 1HD2 LEU 20 4.124 9.212 -3.934 169 HD22 LEU 20 2HD2 LEU 20 2.365 9.484 -3.879 170 HD23 LEU 20 3HD2 LEU 20 3.462 10.824 -4.293 171 H CYS 21 H CYS 21 0.649 7.358 -2.753 172 HA CYS 21 HA CYS 21 -0.575 5.826 -0.586 173 HB2 CYS 21 2HB CYS 21 -1.053 5.955 -3.545 174 HB3 CYS 21 3HB CYS 21 -1.498 4.515 -2.650 175 H TYR 22 H TYR 22 0.151 3.686 -0.176 176 HA TYR 22 HA TYR 22 2.344 2.724 -1.870 177 HB2 TYR 22 2HB TYR 22 3.741 2.563 0.047 178 HB3 TYR 22 3HB TYR 22 2.815 3.984 0.484 179 HD1 TYR 22 1HD TYR 22 1.525 4.020 2.457 180 HD2 TYR 22 2HD TYR 22 2.927 0.279 0.928 181 HE1 TYR 22 1HE TYR 22 0.746 2.853 4.578 182 HE2 TYR 22 2HE TYR 22 2.144 -0.876 3.054 183 HH TYR 22 HH TYR 22 1.780 -0.080 5.503 184 H LYS 23 H LYS 23 2.827 0.354 -1.428 185 HA LYS 23 HA LYS 23 0.630 -1.084 -0.207 186 HB2 LYS 23 2HB LYS 23 -0.111 -2.220 -2.093 187 HB3 LYS 23 3HB LYS 23 0.071 -0.576 -2.673 188 HG2 LYS 23 2HG LYS 23 2.297 -1.129 -3.625 189 HG3 LYS 23 3HG LYS 23 2.190 -2.757 -2.983 190 HD2 LYS 23 2HD LYS 23 1.445 -3.118 -5.166 191 HD3 LYS 23 3HD LYS 23 -0.084 -2.853 -4.354 192 HE2 LYS 23 2HE LYS 23 0.832 -0.255 -5.046 193 HE3 LYS 23 3HE LYS 23 1.199 -1.248 -6.443 194 HZ1 LYS 23 1HZ LYS 23 -1.341 -1.897 -5.478 195 HZ2 LYS 23 2HZ LYS 23 -1.255 -0.280 -5.690 196 HZ3 LYS 23 3HZ LYS 23 -0.931 -1.285 -6.935 197 H MET 24 H MET 24 1.382 -2.862 0.855 198 HA MET 24 HA MET 24 4.179 -3.485 0.366 199 HB2 MET 24 2HB MET 24 2.549 -3.122 2.720 200 HB3 MET 24 3HB MET 24 3.025 -4.808 2.699 201 HG2 MET 24 2HG MET 24 5.429 -3.682 2.073 202 HG3 MET 24 3HG MET 24 4.734 -2.355 2.981 203 HE1 MET 24 1HE MET 24 4.823 -3.251 6.485 204 HE2 MET 24 2HE MET 24 4.446 -2.126 5.157 205 HE3 MET 24 3HE MET 24 3.262 -3.365 5.638 206 H PHE 25 H PHE 25 4.475 -5.176 -1.027 207 HA PHE 25 HA PHE 25 2.545 -7.377 -0.847 208 HB2 PHE 25 2HB PHE 25 4.309 -6.137 -3.013 209 HB3 PHE 25 3HB PHE 25 3.779 -7.798 -3.199 210 HD1 PHE 25 1HD PHE 25 2.269 -7.718 -4.969 211 HD2 PHE 25 2HD PHE 25 1.891 -4.903 -1.815 212 HE1 PHE 25 1HE PHE 25 0.100 -6.916 -5.943 213 HE2 PHE 25 2HE PHE 25 -0.278 -4.102 -2.789 214 HZ PHE 25 HZ PHE 25 -1.148 -5.119 -4.842 215 H MET 26 H MET 26 3.313 -9.551 -0.783 216 HA MET 26 HA MET 26 6.146 -9.709 -0.094 217 HB2 MET 26 2HB MET 26 3.878 -11.567 0.804 218 HB3 MET 26 3HB MET 26 5.519 -11.563 1.420 219 HG2 MET 26 2HG MET 26 4.306 -8.894 1.641 220 HG3 MET 26 3HG MET 26 3.322 -10.101 2.448 221 HE1 MET 26 1HE MET 26 3.886 -11.234 4.625 222 HE2 MET 26 2HE MET 26 4.931 -10.306 5.726 223 HE3 MET 26 3HE MET 26 3.615 -9.489 4.848 224 H VAL 27 H VAL 27 7.398 -11.421 -0.972 225 HA VAL 27 HA VAL 27 6.781 -12.262 -3.503 226 HB VAL 27 HB VAL 27 8.958 -12.287 -2.020 227 HG11 VAL 27 1HG1 VAL 27 9.629 -14.579 -1.396 228 HG12 VAL 27 2HG1 VAL 27 8.217 -14.020 -0.466 229 HG13 VAL 27 3HG1 VAL 27 8.001 -15.163 -1.814 230 HG21 VAL 27 1HG2 VAL 27 9.436 -14.458 -3.770 231 HG22 VAL 27 2HG2 VAL 27 8.182 -13.456 -4.539 232 HG23 VAL 27 3HG2 VAL 27 9.736 -12.729 -4.064 233 H SER 28 H SER 28 6.116 -13.841 -0.337 234 HA SER 28 HA SER 28 5.403 -16.288 -1.069 235 HB2 SER 28 2HB SER 28 3.707 -14.556 0.782 236 HB3 SER 28 3HB SER 28 3.840 -16.303 0.822 237 HG SER 28 HG SER 28 6.002 -16.149 1.516 238 H ASN 29 H ASN 29 3.551 -13.265 -1.628 239 HA ASN 29 HA ASN 29 2.173 -14.469 -3.755 240 HB2 ASN 29 2HB ASN 29 0.886 -15.253 -1.614 241 HB3 ASN 29 3HB ASN 29 0.388 -13.581 -1.441 242 HD21 ASN 29 1HD2 ASN 29 -0.955 -16.218 -2.152 243 HD22 ASN 29 2HD2 ASN 29 -1.914 -15.876 -3.553 244 H LYS 30 H LYS 30 3.024 -12.576 -4.846 245 HA LYS 30 HA LYS 30 2.712 -9.978 -3.789 246 HB2 LYS 30 2HB LYS 30 3.332 -10.934 -6.599 247 HB3 LYS 30 3HB LYS 30 3.448 -9.272 -6.058 248 HG2 LYS 30 2HG LYS 30 5.079 -10.016 -4.267 249 HG3 LYS 30 3HG LYS 30 5.018 -11.637 -4.930 250 HD2 LYS 30 2HD LYS 30 5.526 -10.053 -7.188 251 HD3 LYS 30 3HD LYS 30 6.449 -9.253 -5.932 252 HE2 LYS 30 2HE LYS 30 6.673 -12.229 -5.940 253 HE3 LYS 30 3HE LYS 30 7.336 -11.442 -7.356 254 HZ1 LYS 30 1HZ LYS 30 8.911 -11.661 -5.517 255 HZ2 LYS 30 2HZ LYS 30 8.700 -10.106 -5.968 256 HZ3 LYS 30 3HZ LYS 30 7.997 -10.663 -4.603 257 H THR 31 H THR 31 0.774 -12.081 -5.939 258 HA THR 31 HA THR 31 -0.996 -10.057 -6.802 259 HB THR 31 HB THR 31 -1.792 -12.964 -6.534 260 HG1 THR 31 1HG THR 31 0.294 -11.724 -8.188 261 HG21 THR 31 1HG2 THR 31 -3.266 -12.057 -8.073 262 HG22 THR 31 2HG2 THR 31 -2.201 -10.672 -8.412 263 HG23 THR 31 3HG2 THR 31 -1.896 -12.241 -9.195 264 H VAL 32 H VAL 32 -0.459 -11.335 -3.704 265 HA VAL 32 HA VAL 32 -3.116 -10.381 -2.906 266 HB VAL 32 HB VAL 32 -1.657 -12.860 -1.979 267 HG11 VAL 32 1HG1 VAL 32 -2.743 -11.408 -0.140 268 HG12 VAL 32 2HG1 VAL 32 -4.294 -11.903 -0.860 269 HG13 VAL 32 3HG1 VAL 32 -3.180 -13.132 -0.216 270 HG21 VAL 32 1HG2 VAL 32 -2.855 -13.458 -3.885 271 HG22 VAL 32 2HG2 VAL 32 -3.998 -13.832 -2.572 272 HG23 VAL 32 3HG2 VAL 32 -4.192 -12.340 -3.523 273 HA PRO 33 HA PRO 33 -0.206 -7.821 -0.742 274 HB2 PRO 33 2HB PRO 33 -1.998 -5.906 0.044 275 HB3 PRO 33 3HB PRO 33 -1.314 -5.974 -1.541 276 HG2 PRO 33 2HG PRO 33 -4.041 -6.958 -0.599 277 HG3 PRO 33 3HG PRO 33 -3.613 -6.130 -2.093 278 HD2 PRO 33 2HD PRO 33 -3.971 -8.852 -2.016 279 HD3 PRO 33 3HD PRO 33 -2.940 -8.068 -3.172 280 H VAL 34 H VAL 34 0.444 -7.121 1.361 281 HA VAL 34 HA VAL 34 -0.981 -8.566 3.484 282 HB VAL 34 HB VAL 34 1.343 -8.254 4.613 283 HG11 VAL 34 1HG1 VAL 34 1.326 -10.232 2.340 284 HG12 VAL 34 2HG1 VAL 34 1.905 -10.434 4.011 285 HG13 VAL 34 3HG1 VAL 34 0.158 -10.375 3.675 286 HG21 VAL 34 1HG2 VAL 34 2.147 -6.750 2.725 287 HG22 VAL 34 2HG2 VAL 34 3.238 -8.077 3.192 288 HG23 VAL 34 3HG2 VAL 34 2.244 -8.216 1.722 289 H LYS 35 H LYS 35 0.474 -5.488 2.398 290 HA LYS 35 HA LYS 35 -1.032 -4.170 4.518 291 HB2 LYS 35 2HB LYS 35 1.921 -4.224 4.252 292 HB3 LYS 35 3HB LYS 35 1.217 -2.641 4.513 293 HG2 LYS 35 2HG LYS 35 -0.099 -4.542 6.266 294 HG3 LYS 35 3HG LYS 35 1.636 -4.724 6.443 295 HD2 LYS 35 2HD LYS 35 1.647 -2.877 7.756 296 HD3 LYS 35 3HD LYS 35 1.214 -1.922 6.353 297 HE2 LYS 35 2HE LYS 35 -1.212 -3.151 7.182 298 HE3 LYS 35 3HE LYS 35 -0.428 -2.646 8.666 299 HZ1 LYS 35 1HZ LYS 35 -1.829 -0.950 7.559 300 HZ2 LYS 35 2HZ LYS 35 -0.307 -0.453 7.880 301 HZ3 LYS 35 3HZ LYS 35 -0.728 -0.863 6.356 302 H ARG 36 H ARG 36 -1.726 -2.041 3.966 303 HA ARG 36 HA ARG 36 -0.882 -0.957 1.486 304 HB2 ARG 36 2HB ARG 36 -3.311 -2.607 1.614 305 HB3 ARG 36 3HB ARG 36 -3.698 -0.972 1.122 306 HG2 ARG 36 2HG ARG 36 -3.042 -1.574 -0.971 307 HG3 ARG 36 3HG ARG 36 -1.397 -1.523 -0.367 308 HD2 ARG 36 2HD ARG 36 -1.544 -3.703 -1.272 309 HD3 ARG 36 3HD ARG 36 -1.826 -3.984 0.434 310 HE ARG 36 HE ARG 36 -3.972 -4.712 -0.104 311 HH11 ARG 36 1HH1 ARG 36 -5.958 -4.204 -2.928 312 HH12 ARG 36 2HH1 ARG 36 -5.825 -5.018 -1.405 313 HH21 ARG 36 1HH2 ARG 36 -4.254 -2.803 -3.647 314 HH22 ARG 36 2HH2 ARG 36 -2.849 -2.571 -2.660 315 H GLY 37 H GLY 37 -1.186 1.296 1.516 316 HA2 GLY 37 1HA GLY 37 -3.266 2.656 2.769 317 HA3 GLY 37 2HA GLY 37 -1.976 2.508 3.947 318 H CYS 38 H CYS 38 -1.730 4.868 3.853 319 HA CYS 38 HA CYS 38 -0.482 5.764 1.363 320 HB2 CYS 38 2HB CYS 38 -1.694 7.432 3.572 321 HB3 CYS 38 3HB CYS 38 -1.010 8.035 2.077 322 H ILE 39 H ILE 39 1.418 7.297 1.693 323 HA ILE 39 HA ILE 39 2.715 7.063 4.273 324 HB ILE 39 HB ILE 39 3.284 5.053 2.758 325 HG12 ILE 39 2HG1 ILE 39 5.576 6.677 3.893 326 HG13 ILE 39 3HG1 ILE 39 4.430 5.794 4.883 327 HG21 ILE 39 1HG2 ILE 39 5.251 5.526 1.263 328 HG22 ILE 39 2HG2 ILE 39 3.684 6.134 0.675 329 HG23 ILE 39 3HG2 ILE 39 4.856 7.257 1.405 330 HD11 ILE 39 1HD1 ILE 39 5.490 4.139 2.688 331 HD12 ILE 39 2HD1 ILE 39 6.769 4.751 3.763 332 HD13 ILE 39 3HD1 ILE 39 5.424 3.798 4.434 333 H ASP 40 H ASP 40 4.591 8.559 4.445 334 HA ASP 40 HA ASP 40 3.933 10.963 3.099 335 HB2 ASP 40 2HB ASP 40 6.434 10.489 4.758 336 HB3 ASP 40 3HB ASP 40 5.551 11.988 4.551 337 HD2 ASP 40 HD ASP 40 5.792 9.172 6.321 338 H ALA 41 H ALA 41 6.719 8.636 3.226 339 HA ALA 41 HA ALA 41 7.685 9.821 0.713 340 HB1 ALA 41 1HB ALA 41 9.845 9.799 1.490 341 HB2 ALA 41 2HB ALA 41 9.012 9.999 3.051 342 HB3 ALA 41 3HB ALA 41 9.570 8.388 2.539 343 H CYS 42 H CYS 42 8.973 8.191 -0.624 344 HA CYS 42 HA CYS 42 7.440 5.743 -0.655 345 HB2 CYS 42 2HB CYS 42 7.885 7.177 -2.693 346 HB3 CYS 42 3HB CYS 42 9.551 6.638 -2.621 347 HA PRO 43 HA PRO 43 10.788 3.964 1.678 348 HB2 PRO 43 2HB PRO 43 9.670 1.478 2.005 349 HB3 PRO 43 3HB PRO 43 9.242 2.852 2.961 350 HG2 PRO 43 2HG PRO 43 7.793 1.681 0.550 351 HG3 PRO 43 3HG PRO 43 7.120 2.333 2.042 352 HD2 PRO 43 2HD PRO 43 7.173 3.821 -0.260 353 HD3 PRO 43 3HD PRO 43 7.218 4.538 1.321 354 H LYS 44 H LYS 44 12.058 1.742 1.788 355 HA LYS 44 HA LYS 44 13.151 1.420 -0.877 356 HB2 LYS 44 2HB LYS 44 14.135 1.262 1.857 357 HB3 LYS 44 3HB LYS 44 14.601 -0.152 0.933 358 HG2 LYS 44 2HG LYS 44 16.270 1.119 0.058 359 HG3 LYS 44 3HG LYS 44 15.035 1.928 -0.884 360 HD2 LYS 44 2HD LYS 44 14.942 3.106 1.719 361 HD3 LYS 44 3HD LYS 44 16.639 2.982 1.303 362 HE2 LYS 44 2HE LYS 44 16.131 4.086 -0.920 363 HE3 LYS 44 3HE LYS 44 14.468 4.287 -0.407 364 HZ1 LYS 44 1HZ LYS 44 15.469 6.246 0.186 365 HZ2 LYS 44 2HZ LYS 44 15.510 5.429 1.599 366 HZ3 LYS 44 3HZ LYS 44 16.858 5.550 0.686 367 H ASN 45 H ASN 45 13.284 -0.570 -1.993 368 HA ASN 45 HA ASN 45 11.134 -2.324 -1.311 369 HB2 ASN 45 2HB ASN 45 11.546 -3.333 -3.498 370 HB3 ASN 45 3HB ASN 45 11.682 -1.597 -3.692 371 HD21 ASN 45 1HD2 ASN 45 13.600 -0.656 -4.180 372 HD22 ASN 45 2HD2 ASN 45 15.047 -1.521 -4.582 373 H SER 46 H SER 46 11.464 -4.703 -1.043 374 HA SER 46 HA SER 46 14.165 -5.290 -0.113 375 HB2 SER 46 2HB SER 46 11.573 -6.589 0.832 376 HB3 SER 46 3HB SER 46 13.173 -6.850 1.499 377 HG SER 46 HG SER 46 12.071 -4.196 1.412 378 H LEU 47 H LEU 47 14.442 -7.898 -0.071 379 HA LEU 47 HA LEU 47 14.110 -8.683 -2.804 380 HB2 LEU 47 2HB LEU 47 15.317 -10.730 -2.012 381 HB3 LEU 47 3HB LEU 47 16.172 -9.209 -1.846 382 HG LEU 47 HG LEU 47 14.750 -9.720 0.594 383 HD11 LEU 47 1HD1 LEU 47 15.917 -11.793 1.299 384 HD12 LEU 47 2HD1 LEU 47 14.711 -12.060 0.019 385 HD13 LEU 47 3HD1 LEU 47 16.444 -12.034 -0.384 386 HD21 LEU 47 1HD2 LEU 47 16.651 -8.949 1.499 387 HD22 LEU 47 2HD2 LEU 47 17.673 -10.073 0.573 388 HD23 LEU 47 3HD2 LEU 47 17.098 -8.567 -0.181 389 H LEU 48 H LEU 48 12.655 -9.447 0.377 390 HA LEU 48 HA LEU 48 10.995 -11.476 -0.886 391 HB2 LEU 48 2HB LEU 48 12.163 -11.864 1.290 392 HB3 LEU 48 3HB LEU 48 11.146 -10.631 2.009 393 HG LEU 48 HG LEU 48 9.531 -12.611 0.632 394 HD11 LEU 48 1HD1 LEU 48 11.765 -13.839 1.465 395 HD12 LEU 48 2HD1 LEU 48 10.838 -13.871 2.984 396 HD13 LEU 48 3HD1 LEU 48 10.156 -14.602 1.512 397 HD21 LEU 48 1HD2 LEU 48 8.581 -11.117 2.242 398 HD22 LEU 48 2HD2 LEU 48 8.481 -12.770 2.896 399 HD23 LEU 48 3HD2 LEU 48 9.727 -11.648 3.496 400 H VAL 49 H VAL 49 10.677 -8.412 1.032 401 HA VAL 49 HA VAL 49 7.900 -8.255 0.171 402 HB VAL 49 HB VAL 49 9.458 -6.452 2.029 403 HG11 VAL 49 1HG1 VAL 49 7.601 -5.215 2.000 404 HG12 VAL 49 2HG1 VAL 49 6.769 -6.401 0.965 405 HG13 VAL 49 3HG1 VAL 49 6.732 -6.583 2.736 406 HG21 VAL 49 1HG2 VAL 49 7.597 -8.290 3.315 407 HG22 VAL 49 2HG2 VAL 49 8.896 -9.150 2.454 408 HG23 VAL 49 3HG2 VAL 49 9.300 -7.938 3.693 409 H LYS 50 H LYS 50 7.063 -6.394 -0.958 410 HA LYS 50 HA LYS 50 9.108 -4.700 -2.177 411 HB2 LYS 50 2HB LYS 50 8.782 -6.454 -3.795 412 HB3 LYS 50 3HB LYS 50 7.039 -6.332 -3.669 413 HG2 LYS 50 2HG LYS 50 7.291 -4.987 -5.523 414 HG3 LYS 50 3HG LYS 50 7.572 -3.750 -4.314 415 HD2 LYS 50 2HD LYS 50 9.432 -3.480 -5.731 416 HD3 LYS 50 3HD LYS 50 10.091 -4.483 -4.454 417 HE2 LYS 50 2HE LYS 50 8.850 -6.148 -6.517 418 HE3 LYS 50 3HE LYS 50 10.028 -5.067 -7.235 419 HZ1 LYS 50 1HZ LYS 50 11.055 -7.081 -6.485 420 HZ2 LYS 50 2HZ LYS 50 11.625 -5.831 -5.601 421 HZ3 LYS 50 3HZ LYS 50 10.527 -6.855 -4.957 422 H TYR 51 H TYR 51 8.580 -2.587 -1.983 423 HA TYR 51 HA TYR 51 5.770 -2.000 -1.352 424 HB2 TYR 51 2HB TYR 51 8.394 -0.453 -0.887 425 HB3 TYR 51 3HB TYR 51 6.832 0.006 -0.242 426 HD1 TYR 51 1HD TYR 51 9.401 -2.701 -0.111 427 HD2 TYR 51 2HD TYR 51 6.118 -0.791 1.858 428 HE1 TYR 51 1HE TYR 51 9.860 -4.060 1.989 429 HE2 TYR 51 2HE TYR 51 6.589 -2.156 3.951 430 HH TYR 51 HH TYR 51 7.806 -4.608 4.264 431 H VAL 52 H VAL 52 4.605 -0.980 -2.899 432 HA VAL 52 HA VAL 52 6.127 0.574 -4.876 433 HB VAL 52 HB VAL 52 3.602 -1.065 -5.134 434 HG11 VAL 52 1HG1 VAL 52 3.340 -0.287 -7.375 435 HG12 VAL 52 2HG1 VAL 52 3.494 1.156 -6.343 436 HG13 VAL 52 3HG1 VAL 52 4.879 0.606 -7.317 437 HG21 VAL 52 1HG2 VAL 52 5.144 -2.647 -5.579 438 HG22 VAL 52 2HG2 VAL 52 5.301 -1.820 -7.147 439 HG23 VAL 52 3HG2 VAL 52 6.442 -1.455 -5.831 440 H CYS 53 H CYS 53 5.498 2.689 -5.273 441 HA CYS 53 HA CYS 53 3.358 3.647 -3.521 442 HB2 CYS 53 2HB CYS 53 5.519 5.362 -4.723 443 HB3 CYS 53 3HB CYS 53 4.445 5.736 -3.390 444 H CYS 54 H CYS 54 2.087 5.545 -4.481 445 HA CYS 54 HA CYS 54 2.168 5.731 -7.349 446 HB2 CYS 54 2HB CYS 54 -0.448 5.316 -7.253 447 HB3 CYS 54 3HB CYS 54 0.704 4.038 -7.592 448 H ASN 55 H ASN 55 0.801 7.587 -8.084 449 HA ASN 55 HA ASN 55 0.297 9.382 -5.843 450 HB2 ASN 55 2HB ASN 55 0.672 11.234 -7.514 451 HB3 ASN 55 3HB ASN 55 2.085 10.214 -7.322 452 HD21 ASN 55 1HD2 ASN 55 2.690 11.090 -9.391 453 HD22 ASN 55 2HD2 ASN 55 2.103 10.375 -10.856 454 H THR 56 H THR 56 -1.638 7.414 -6.733 455 HA THR 56 HA THR 56 -3.663 9.194 -7.907 456 HB THR 56 HB THR 56 -4.434 6.796 -8.892 457 HG1 THR 56 1HG THR 56 -2.418 5.960 -7.710 458 HG21 THR 56 1HG2 THR 56 -2.013 8.093 -10.203 459 HG22 THR 56 2HG2 THR 56 -3.439 7.366 -10.983 460 HG23 THR 56 3HG2 THR 56 -3.577 8.943 -10.168 461 H ASP 57 H ASP 57 -5.943 8.297 -7.505 462 HA ASP 57 HA ASP 57 -6.037 7.780 -4.694 463 HB2 ASP 57 2HB ASP 57 -8.182 8.626 -4.798 464 HB3 ASP 57 3HB ASP 57 -7.568 9.323 -6.284 465 HD2 ASP 57 HD ASP 57 -8.101 8.247 -8.176 466 H ARG 58 H ARG 58 -7.197 5.910 -3.766 467 HA ARG 58 HA ARG 58 -7.415 3.742 -3.619 468 HB2 ARG 58 2HB ARG 58 -9.335 4.706 -5.689 469 HB3 ARG 58 3HB ARG 58 -9.102 2.969 -5.689 470 HG2 ARG 58 2HG ARG 58 -10.313 2.725 -3.782 471 HG3 ARG 58 3HG ARG 58 -9.351 3.926 -2.944 472 HD2 ARG 58 2HD ARG 58 -11.419 5.005 -2.933 473 HD3 ARG 58 3HD ARG 58 -10.764 5.648 -4.426 474 HE ARG 58 HE ARG 58 -12.075 3.226 -5.095 475 HH11 ARG 58 1HH1 ARG 58 -15.255 4.535 -5.682 476 HH12 ARG 58 2HH1 ARG 58 -14.194 3.193 -5.949 477 HH21 ARG 58 1HH2 ARG 58 -14.526 6.366 -4.456 478 HH22 ARG 58 2HH2 ARG 58 -12.920 6.390 -3.808 479 H CYS 59 H CYS 59 -4.966 4.003 -4.668 480 HA CYS 59 HA CYS 59 -4.870 2.481 -7.145 481 HB2 CYS 59 2HB CYS 59 -2.535 3.103 -7.246 482 HB3 CYS 59 3HB CYS 59 -3.558 4.516 -7.081 483 H ASN 60 H ASN 60 -3.786 2.500 -3.695 484 HA ASN 60 HA ASN 60 -2.922 -0.248 -4.052 485 HB2 ASN 60 2HB ASN 60 -1.682 0.041 -1.963 486 HB3 ASN 60 3HB ASN 60 -1.348 1.432 -2.974 487 HD21 ASN 60 1HD2 ASN 60 -3.442 0.234 -0.384 488 HD22 ASN 60 2HD2 ASN 60 -3.695 1.744 0.425 Start of MODEL 6 1 H1 LEU 1 H LEU 1 -4.363 13.237 -0.613 2 HA LEU 1 HA LEU 1 -5.574 11.764 -2.827 3 HB2 LEU 1 2HB LEU 1 -3.018 12.278 -2.448 4 HB3 LEU 1 3HB LEU 1 -3.109 10.893 -1.378 5 HG LEU 1 HG LEU 1 -4.003 9.535 -3.279 6 HD11 LEU 1 1HD1 LEU 1 -4.459 11.977 -4.489 7 HD12 LEU 1 2HD1 LEU 1 -3.039 11.348 -5.359 8 HD13 LEU 1 3HD1 LEU 1 -4.530 10.381 -5.274 9 HD21 LEU 1 1HD2 LEU 1 -1.271 10.772 -3.295 10 HD22 LEU 1 2HD2 LEU 1 -1.772 9.111 -2.896 11 HD23 LEU 1 3HD2 LEU 1 -1.741 9.648 -4.593 12 H LYS 2 H LYS 2 -6.380 9.629 -2.558 13 HA LYS 2 HA LYS 2 -6.799 8.884 0.253 14 HB2 LYS 2 2HB LYS 2 -8.775 8.926 -2.035 15 HB3 LYS 2 3HB LYS 2 -9.024 7.939 -0.610 16 HG2 LYS 2 2HG LYS 2 -8.825 9.976 0.834 17 HG3 LYS 2 3HG LYS 2 -8.582 10.962 -0.593 18 HD2 LYS 2 2HD LYS 2 -11.031 9.194 -0.450 19 HD3 LYS 2 3HD LYS 2 -11.012 10.678 0.481 20 HE2 LYS 2 2HE LYS 2 -10.131 11.687 -1.878 21 HE3 LYS 2 3HE LYS 2 -11.010 10.308 -2.506 22 HZ1 LYS 2 1HZ LYS 2 -12.647 11.406 -0.628 23 HZ2 LYS 2 2HZ LYS 2 -12.023 12.694 -1.414 24 HZ3 LYS 2 3HZ LYS 2 -12.808 11.529 -2.248 25 H CYS 3 H CYS 3 -6.717 6.644 0.733 26 HA CYS 3 HA CYS 3 -5.817 4.988 -1.505 27 HB2 CYS 3 2HB CYS 3 -4.664 4.776 1.269 28 HB3 CYS 3 3HB CYS 3 -4.117 3.977 -0.191 29 H ASN 4 H ASN 4 -6.497 2.751 -1.345 30 HA ASN 4 HA ASN 4 -8.933 2.449 -0.000 31 HB2 ASN 4 2HB ASN 4 -7.861 1.250 -2.165 32 HB3 ASN 4 3HB ASN 4 -7.339 0.067 -0.982 33 HD21 ASN 4 1HD2 ASN 4 -9.742 0.934 -3.060 34 HD22 ASN 4 2HD2 ASN 4 -11.082 0.048 -2.413 35 H LYS 5 H LYS 5 -9.330 0.468 1.525 36 HA LYS 5 HA LYS 5 -7.231 0.480 3.535 37 HB2 LYS 5 2HB LYS 5 -10.103 -0.490 3.619 38 HB3 LYS 5 3HB LYS 5 -8.989 -0.536 4.970 39 HG2 LYS 5 2HG LYS 5 -9.094 2.122 3.679 40 HG3 LYS 5 3HG LYS 5 -10.655 1.609 4.289 41 HD2 LYS 5 2HD LYS 5 -8.096 1.534 5.954 42 HD3 LYS 5 3HD LYS 5 -9.208 2.887 5.959 43 HE2 LYS 5 2HE LYS 5 -10.473 0.217 6.399 44 HE3 LYS 5 3HE LYS 5 -9.383 0.736 7.670 45 HZ1 LYS 5 1HZ LYS 5 -11.260 1.762 8.320 46 HZ2 LYS 5 2HZ LYS 5 -10.721 2.946 7.333 47 HZ3 LYS 5 3HZ LYS 5 -11.877 1.917 6.816 48 H LEU 6 H LEU 6 -7.711 -1.993 4.784 49 HA LEU 6 HA LEU 6 -6.134 -3.665 3.151 50 HB2 LEU 6 2HB LEU 6 -6.470 -3.442 5.768 51 HB3 LEU 6 3HB LEU 6 -7.655 -4.706 5.497 52 HG LEU 6 HG LEU 6 -4.716 -4.847 4.770 53 HD11 LEU 6 1HD1 LEU 6 -6.093 -5.314 7.241 54 HD12 LEU 6 2HD1 LEU 6 -5.449 -6.855 6.623 55 HD13 LEU 6 3HD1 LEU 6 -4.359 -5.468 6.867 56 HD21 LEU 6 1HD2 LEU 6 -5.275 -6.462 3.353 57 HD22 LEU 6 2HD2 LEU 6 -5.831 -7.417 4.748 58 HD23 LEU 6 3HD2 LEU 6 -6.982 -6.393 3.855 59 H ILE 7 H ILE 7 -9.639 -3.449 3.890 60 HA ILE 7 HA ILE 7 -10.082 -5.734 2.122 61 HB ILE 7 HB ILE 7 -11.848 -4.315 4.115 62 HG12 ILE 7 2HG1 ILE 7 -10.458 -6.996 4.075 63 HG13 ILE 7 3HG1 ILE 7 -10.291 -5.703 5.246 64 HG21 ILE 7 1HG2 ILE 7 -12.985 -5.155 1.961 65 HG22 ILE 7 2HG2 ILE 7 -12.642 -6.785 2.585 66 HG23 ILE 7 3HG2 ILE 7 -13.655 -5.667 3.529 67 HD11 ILE 7 1HD1 ILE 7 -12.572 -6.043 6.056 68 HD12 ILE 7 2HD1 ILE 7 -12.895 -7.218 4.759 69 HD13 ILE 7 3HD1 ILE 7 -11.732 -7.613 6.048 70 HA PRO 8 HA PRO 8 -10.505 -2.736 -1.109 71 HB2 PRO 8 2HB PRO 8 -11.676 -5.182 -2.410 72 HB3 PRO 8 3HB PRO 8 -10.555 -4.046 -3.071 73 HG2 PRO 8 2HG PRO 8 -9.623 -6.400 -2.158 74 HG3 PRO 8 3HG PRO 8 -8.722 -4.933 -1.777 75 HD2 PRO 8 2HD PRO 8 -10.559 -6.491 0.040 76 HD3 PRO 8 3HD PRO 8 -9.050 -5.722 0.418 77 H LEU 9 H LEU 9 -12.209 -1.583 0.286 78 HA LEU 9 HA LEU 9 -14.429 -1.088 -1.324 79 HB2 LEU 9 2HB LEU 9 -16.187 -2.180 -0.406 80 HB3 LEU 9 3HB LEU 9 -14.941 -3.401 -0.240 81 HG LEU 9 HG LEU 9 -14.635 -2.271 2.151 82 HD11 LEU 9 1HD1 LEU 9 -16.814 -0.819 1.192 83 HD12 LEU 9 2HD1 LEU 9 -17.521 -2.007 2.313 84 HD13 LEU 9 3HD1 LEU 9 -16.237 -0.910 2.873 85 HD21 LEU 9 1HD2 LEU 9 -15.331 -4.266 2.843 86 HD22 LEU 9 2HD2 LEU 9 -16.995 -3.956 2.293 87 HD23 LEU 9 3HD2 LEU 9 -15.788 -4.605 1.156 88 H ALA 10 H ALA 10 -12.867 -1.062 1.895 89 HA ALA 10 HA ALA 10 -14.117 1.527 2.430 90 HB1 ALA 10 1HB ALA 10 -12.473 0.702 4.587 91 HB2 ALA 10 2HB ALA 10 -14.251 0.663 4.500 92 HB3 ALA 10 3HB ALA 10 -13.305 -0.763 4.009 93 H TYR 11 H TYR 11 -12.944 3.426 2.471 94 HA TYR 11 HA TYR 11 -10.050 3.154 2.024 95 HB2 TYR 11 2HB TYR 11 -10.375 5.127 0.461 96 HB3 TYR 11 3HB TYR 11 -11.297 3.737 -0.074 97 HD1 TYR 11 1HD TYR 11 -13.773 3.670 0.265 98 HD2 TYR 11 2HD TYR 11 -11.462 7.156 1.166 99 HE1 TYR 11 1HE TYR 11 -15.889 5.080 0.271 100 HE2 TYR 11 2HE TYR 11 -13.586 8.554 1.168 101 HH TYR 11 HH TYR 11 -15.715 8.590 0.677 102 H LYS 12 H LYS 12 -8.887 5.314 2.470 103 HA LYS 12 HA LYS 12 -10.260 7.039 4.324 104 HB2 LYS 12 2HB LYS 12 -9.040 6.573 6.251 105 HB3 LYS 12 3HB LYS 12 -9.435 4.984 5.629 106 HG2 LYS 12 2HG LYS 12 -6.817 6.367 4.913 107 HG3 LYS 12 3HG LYS 12 -6.979 5.411 6.373 108 HD2 LYS 12 2HD LYS 12 -7.479 3.400 5.123 109 HD3 LYS 12 3HD LYS 12 -7.723 4.296 3.638 110 HE2 LYS 12 2HE LYS 12 -5.536 3.321 3.451 111 HE3 LYS 12 3HE LYS 12 -5.267 5.020 3.782 112 HZ1 LYS 12 1HZ LYS 12 -4.952 2.754 5.582 113 HZ2 LYS 12 2HZ LYS 12 -3.915 3.979 5.279 114 HZ3 LYS 12 3HZ LYS 12 -5.237 4.237 6.205 115 H THR 13 H THR 13 -9.237 9.074 4.516 116 HA THR 13 HA THR 13 -7.524 9.710 2.332 117 HB THR 13 HB THR 13 -8.510 11.290 4.766 118 HG1 THR 13 1HG THR 13 -10.149 10.471 3.270 119 HG21 THR 13 1HG2 THR 13 -8.222 13.146 2.841 120 HG22 THR 13 2HG2 THR 13 -6.865 12.742 3.919 121 HG23 THR 13 3HG2 THR 13 -6.945 12.037 2.287 122 H CYS 14 H CYS 14 -5.376 10.485 2.342 123 HA CYS 14 HA CYS 14 -3.760 9.097 4.229 124 HB2 CYS 14 2HB CYS 14 -2.857 11.105 2.165 125 HB3 CYS 14 3HB CYS 14 -1.893 9.864 2.945 126 HA PRO 15 HA PRO 15 -4.145 12.351 7.239 127 HB2 PRO 15 2HB PRO 15 -1.763 10.882 8.336 128 HB3 PRO 15 3HB PRO 15 -3.160 11.448 9.179 129 HG2 PRO 15 2HG PRO 15 -3.016 8.839 8.552 130 HG3 PRO 15 3HG PRO 15 -4.545 9.675 8.298 131 HD2 PRO 15 2HD PRO 15 -2.481 8.939 6.213 132 HD3 PRO 15 3HD PRO 15 -4.209 8.824 6.118 133 H ALA 16 H ALA 16 -2.476 13.753 8.696 134 HA ALA 16 HA ALA 16 -1.377 15.594 6.918 135 HB1 ALA 16 1HB ALA 16 -1.835 16.602 8.913 136 HB2 ALA 16 2HB ALA 16 -1.486 15.132 9.855 137 HB3 ALA 16 3HB ALA 16 -0.151 16.162 9.283 138 H GLY 17 H GLY 17 0.509 15.615 5.799 139 HA2 GLY 17 1HA GLY 17 2.789 15.356 5.543 140 HA3 GLY 17 2HA GLY 17 2.840 14.254 6.905 141 H LYS 18 H LYS 18 0.347 12.809 5.724 142 HA LYS 18 HA LYS 18 1.905 11.190 3.847 143 HB2 LYS 18 2HB LYS 18 -0.199 10.600 5.884 144 HB3 LYS 18 3HB LYS 18 -0.167 9.604 4.443 145 HG2 LYS 18 2HG LYS 18 2.011 8.790 4.881 146 HG3 LYS 18 3HG LYS 18 2.427 10.148 5.907 147 HD2 LYS 18 2HD LYS 18 0.218 8.218 6.706 148 HD3 LYS 18 3HD LYS 18 1.898 7.844 7.039 149 HE2 LYS 18 2HE LYS 18 1.090 10.603 7.821 150 HE3 LYS 18 3HE LYS 18 0.253 9.336 8.696 151 HZ1 LYS 18 1HZ LYS 18 3.146 9.755 8.513 152 HZ2 LYS 18 2HZ LYS 18 2.212 9.763 9.852 153 HZ3 LYS 18 3HZ LYS 18 2.507 8.359 9.071 154 H ASN 19 H ASN 19 1.576 11.783 1.766 155 HA ASN 19 HA ASN 19 -1.205 12.208 1.018 156 HB2 ASN 19 2HB ASN 19 -0.605 14.050 -0.416 157 HB3 ASN 19 3HB ASN 19 0.222 14.363 1.097 158 HD21 ASN 19 1HD2 ASN 19 2.457 13.623 1.301 159 HD22 ASN 19 2HD2 ASN 19 3.504 13.674 -0.078 160 H LEU 20 H LEU 20 1.149 10.045 0.926 161 HA LEU 20 HA LEU 20 0.877 9.504 -1.950 162 HB2 LEU 20 2HB LEU 20 3.235 9.446 -0.150 163 HB3 LEU 20 3HB LEU 20 3.102 8.149 -1.320 164 HG LEU 20 HG LEU 20 2.688 10.876 -2.403 165 HD11 LEU 20 1HD1 LEU 20 4.473 11.792 -1.429 166 HD12 LEU 20 2HD1 LEU 20 5.044 10.229 -0.798 167 HD13 LEU 20 3HD1 LEU 20 5.444 10.716 -2.463 168 HD21 LEU 20 1HD2 LEU 20 2.843 8.574 -3.618 169 HD22 LEU 20 2HD2 LEU 20 3.625 10.007 -4.327 170 HD23 LEU 20 3HD2 LEU 20 4.599 8.807 -3.445 171 H CYS 21 H CYS 21 0.798 7.186 -2.523 172 HA CYS 21 HA CYS 21 -0.437 5.686 -0.333 173 HB2 CYS 21 2HB CYS 21 -0.899 5.618 -3.312 174 HB3 CYS 21 3HB CYS 21 -1.456 4.344 -2.247 175 H TYR 22 H TYR 22 0.310 3.537 0.057 176 HA TYR 22 HA TYR 22 2.558 2.657 -1.610 177 HB2 TYR 22 2HB TYR 22 3.887 2.444 0.354 178 HB3 TYR 22 3HB TYR 22 2.929 3.841 0.795 179 HD1 TYR 22 1HD TYR 22 1.611 3.815 2.742 180 HD2 TYR 22 2HD TYR 22 3.018 0.118 1.114 181 HE1 TYR 22 1HE TYR 22 0.766 2.580 4.797 182 HE2 TYR 22 2HE TYR 22 2.168 -1.105 3.173 183 HH TYR 22 HH TYR 22 0.062 -0.316 4.993 184 H LYS 23 H LYS 23 3.054 0.287 -1.288 185 HA LYS 23 HA LYS 23 0.869 -1.244 -0.160 186 HB2 LYS 23 2HB LYS 23 0.315 -2.422 -2.157 187 HB3 LYS 23 3HB LYS 23 0.172 -0.708 -2.500 188 HG2 LYS 23 2HG LYS 23 2.466 -0.731 -3.521 189 HG3 LYS 23 3HG LYS 23 2.584 -2.450 -3.201 190 HD2 LYS 23 2HD LYS 23 1.877 -2.273 -5.487 191 HD3 LYS 23 3HD LYS 23 0.449 -2.755 -4.592 192 HE2 LYS 23 2HE LYS 23 -0.071 -0.195 -4.416 193 HE3 LYS 23 3HE LYS 23 1.135 0.005 -5.673 194 HZ1 LYS 23 1HZ LYS 23 -0.254 -0.805 -7.174 195 HZ2 LYS 23 2HZ LYS 23 -0.721 -2.067 -6.250 196 HZ3 LYS 23 3HZ LYS 23 -1.446 -0.615 -6.073 197 H MET 24 H MET 24 1.682 -2.985 0.896 198 HA MET 24 HA MET 24 4.468 -3.595 0.327 199 HB2 MET 24 2HB MET 24 2.804 -3.373 2.735 200 HB3 MET 24 3HB MET 24 3.550 -4.959 2.678 201 HG2 MET 24 2HG MET 24 5.794 -3.888 2.352 202 HG3 MET 24 3HG MET 24 5.047 -2.305 2.417 203 HE1 MET 24 1HE MET 24 3.716 -1.465 5.100 204 HE2 MET 24 2HE MET 24 5.350 -1.347 5.794 205 HE3 MET 24 3HE MET 24 5.096 -1.032 4.061 206 H PHE 25 H PHE 25 4.850 -5.367 -0.925 207 HA PHE 25 HA PHE 25 2.820 -7.481 -0.878 208 HB2 PHE 25 2HB PHE 25 4.896 -6.417 -2.856 209 HB3 PHE 25 3HB PHE 25 4.270 -8.041 -3.063 210 HD1 PHE 25 1HD PHE 25 3.073 -7.806 -5.069 211 HD2 PHE 25 2HD PHE 25 2.364 -5.081 -1.893 212 HE1 PHE 25 1HE PHE 25 1.089 -6.884 -6.302 213 HE2 PHE 25 2HE PHE 25 0.381 -4.159 -3.127 214 HZ PHE 25 HZ PHE 25 -0.232 -5.072 -5.316 215 H MET 26 H MET 26 3.435 -9.669 -0.599 216 HA MET 26 HA MET 26 6.132 -9.941 0.475 217 HB2 MET 26 2HB MET 26 3.578 -11.578 0.941 218 HB3 MET 26 3HB MET 26 5.126 -11.956 1.672 219 HG2 MET 26 2HG MET 26 4.585 -9.163 2.168 220 HG3 MET 26 3HG MET 26 3.139 -10.064 2.576 221 HE1 MET 26 1HE MET 26 4.776 -8.418 4.540 222 HE2 MET 26 2HE MET 26 5.901 -9.285 5.614 223 HE3 MET 26 3HE MET 26 6.419 -8.809 3.979 224 H VAL 27 H VAL 27 7.466 -11.700 -0.182 225 HA VAL 27 HA VAL 27 7.259 -12.475 -2.819 226 HB VAL 27 HB VAL 27 9.179 -12.525 -1.006 227 HG11 VAL 27 1HG1 VAL 27 8.276 -15.425 -1.057 228 HG12 VAL 27 2HG1 VAL 27 9.750 -14.788 -0.288 229 HG13 VAL 27 3HG1 VAL 27 8.148 -14.324 0.337 230 HG21 VAL 27 1HG2 VAL 27 9.832 -12.722 -3.227 231 HG22 VAL 27 2HG2 VAL 27 10.342 -14.287 -2.548 232 HG23 VAL 27 3HG2 VAL 27 8.843 -14.176 -3.500 233 H SER 28 H SER 28 5.958 -13.954 0.165 234 HA SER 28 HA SER 28 5.409 -16.444 -0.698 235 HB2 SER 28 2HB SER 28 3.481 -14.729 0.928 236 HB3 SER 28 3HB SER 28 3.602 -16.477 0.955 237 HG SER 28 HG SER 28 6.043 -15.794 1.530 238 H ASN 29 H ASN 29 3.746 -13.378 -1.503 239 HA ASN 29 HA ASN 29 2.656 -14.514 -3.812 240 HB2 ASN 29 2HB ASN 29 1.068 -15.324 -1.882 241 HB3 ASN 29 3HB ASN 29 0.547 -13.655 -1.780 242 HD21 ASN 29 1HD2 ASN 29 -0.592 -16.346 -2.752 243 HD22 ASN 29 2HD2 ASN 29 -1.351 -15.978 -4.265 244 H LYS 30 H LYS 30 3.768 -12.582 -4.621 245 HA LYS 30 HA LYS 30 3.245 -10.018 -3.576 246 HB2 LYS 30 2HB LYS 30 4.386 -10.892 -6.247 247 HB3 LYS 30 3HB LYS 30 4.397 -9.248 -5.644 248 HG2 LYS 30 2HG LYS 30 5.580 -10.209 -3.531 249 HG3 LYS 30 3HG LYS 30 5.823 -11.668 -4.471 250 HD2 LYS 30 2HD LYS 30 6.797 -10.017 -6.302 251 HD3 LYS 30 3HD LYS 30 6.950 -8.897 -4.963 252 HE2 LYS 30 2HE LYS 30 9.050 -10.047 -5.068 253 HE3 LYS 30 3HE LYS 30 8.213 -10.741 -3.695 254 HZ1 LYS 30 1HZ LYS 30 8.973 -11.973 -6.128 255 HZ2 LYS 30 2HZ LYS 30 8.563 -12.660 -4.704 256 HZ3 LYS 30 3HZ LYS 30 7.402 -12.252 -5.777 257 H THR 31 H THR 31 1.795 -12.012 -6.185 258 HA THR 31 HA THR 31 0.241 -10.014 -7.353 259 HB THR 31 HB THR 31 -0.163 -13.035 -7.037 260 HG1 THR 31 1HG THR 31 1.804 -12.039 -8.113 261 HG21 THR 31 1HG2 THR 31 -1.633 -10.912 -8.599 262 HG22 THR 31 2HG2 THR 31 -1.250 -12.432 -9.443 263 HG23 THR 31 3HG2 THR 31 -2.235 -12.460 -7.961 264 H VAL 32 H VAL 32 0.087 -11.333 -4.178 265 HA VAL 32 HA VAL 32 -2.589 -10.155 -3.903 266 HB VAL 32 HB VAL 32 -1.474 -12.709 -2.750 267 HG11 VAL 32 1HG1 VAL 32 -2.510 -11.420 -0.925 268 HG12 VAL 32 2HG1 VAL 32 -3.998 -11.252 -1.888 269 HG13 VAL 32 3HG1 VAL 32 -3.470 -12.861 -1.338 270 HG21 VAL 32 1HG2 VAL 32 -4.199 -12.435 -3.959 271 HG22 VAL 32 2HG2 VAL 32 -2.788 -12.429 -5.044 272 HG23 VAL 32 3HG2 VAL 32 -3.076 -13.816 -3.965 273 HA PRO 33 HA PRO 33 -0.214 -7.587 -1.240 274 HB2 PRO 33 2HB PRO 33 -2.266 -5.973 -0.396 275 HB3 PRO 33 3HB PRO 33 -1.489 -5.808 -1.930 276 HG2 PRO 33 2HG PRO 33 -4.122 -7.196 -1.268 277 HG3 PRO 33 3HG PRO 33 -3.720 -6.172 -2.644 278 HD2 PRO 33 2HD PRO 33 -3.747 -8.900 -2.876 279 HD3 PRO 33 3HD PRO 33 -2.723 -7.892 -3.849 280 H VAL 34 H VAL 34 0.377 -7.162 0.905 281 HA VAL 34 HA VAL 34 -1.096 -8.785 2.863 282 HB VAL 34 HB VAL 34 1.401 -9.224 2.084 283 HG11 VAL 34 1HG1 VAL 34 1.735 -7.192 4.318 284 HG12 VAL 34 2HG1 VAL 34 3.026 -8.191 3.607 285 HG13 VAL 34 3HG1 VAL 34 2.203 -6.962 2.616 286 HG21 VAL 34 1HG2 VAL 34 1.348 -10.727 3.743 287 HG22 VAL 34 2HG2 VAL 34 1.309 -9.463 4.996 288 HG23 VAL 34 3HG2 VAL 34 -0.202 -9.995 4.220 289 H LYS 35 H LYS 35 0.480 -5.661 2.098 290 HA LYS 35 HA LYS 35 -1.095 -4.478 4.240 291 HB2 LYS 35 2HB LYS 35 1.898 -4.502 4.090 292 HB3 LYS 35 3HB LYS 35 1.098 -3.059 4.682 293 HG2 LYS 35 2HG LYS 35 -0.224 -5.237 5.958 294 HG3 LYS 35 3HG LYS 35 1.482 -5.628 6.021 295 HD2 LYS 35 2HD LYS 35 2.010 -3.509 7.111 296 HD3 LYS 35 3HD LYS 35 0.392 -2.897 6.837 297 HE2 LYS 35 2HE LYS 35 -0.577 -4.370 8.450 298 HE3 LYS 35 3HE LYS 35 0.807 -5.446 8.438 299 HZ1 LYS 35 1HZ LYS 35 1.110 -4.225 10.328 300 HZ2 LYS 35 2HZ LYS 35 2.042 -3.387 9.283 301 HZ3 LYS 35 3HZ LYS 35 0.563 -2.827 9.688 302 H ARG 36 H ARG 36 -1.726 -2.323 3.813 303 HA ARG 36 HA ARG 36 -0.622 -1.023 1.543 304 HB2 ARG 36 2HB ARG 36 -2.778 -0.848 0.290 305 HB3 ARG 36 3HB ARG 36 -2.241 -2.512 0.410 306 HG2 ARG 36 2HG ARG 36 -3.779 -2.179 2.732 307 HG3 ARG 36 3HG ARG 36 -4.653 -1.235 1.542 308 HD2 ARG 36 2HD ARG 36 -5.578 -3.386 1.251 309 HD3 ARG 36 3HD ARG 36 -4.377 -3.326 -0.022 310 HE ARG 36 HE ARG 36 -3.084 -4.348 2.294 311 HH11 ARG 36 1HH1 ARG 36 -3.710 -7.732 1.722 312 HH12 ARG 36 2HH1 ARG 36 -2.734 -6.587 2.581 313 HH21 ARG 36 1HH2 ARG 36 -5.370 -6.991 0.280 314 HH22 ARG 36 2HH2 ARG 36 -5.634 -5.294 0.062 315 H GLY 37 H GLY 37 -1.065 1.250 1.607 316 HA2 GLY 37 1HA GLY 37 -3.176 2.458 2.970 317 HA3 GLY 37 2HA GLY 37 -1.850 2.302 4.106 318 H CYS 38 H CYS 38 -1.758 4.692 4.107 319 HA CYS 38 HA CYS 38 -0.620 5.770 1.640 320 HB2 CYS 38 2HB CYS 38 -1.892 7.159 4.003 321 HB3 CYS 38 3HB CYS 38 -1.122 7.991 2.666 322 H ILE 39 H ILE 39 1.312 7.196 1.882 323 HA ILE 39 HA ILE 39 2.711 6.984 4.411 324 HB ILE 39 HB ILE 39 3.201 4.946 2.918 325 HG12 ILE 39 2HG1 ILE 39 5.507 6.622 3.953 326 HG13 ILE 39 3HG1 ILE 39 4.456 5.638 4.954 327 HG21 ILE 39 1HG2 ILE 39 5.097 5.379 1.315 328 HG22 ILE 39 2HG2 ILE 39 3.499 5.961 0.790 329 HG23 ILE 39 3HG2 ILE 39 4.699 7.110 1.427 330 HD11 ILE 39 1HD1 ILE 39 6.775 4.807 3.496 331 HD12 ILE 39 2HD1 ILE 39 5.689 3.802 4.486 332 HD13 ILE 39 3HD1 ILE 39 5.369 4.011 2.748 333 H ASP 40 H ASP 40 4.629 8.450 4.466 334 HA ASP 40 HA ASP 40 3.954 10.813 3.004 335 HB2 ASP 40 2HB ASP 40 5.971 11.720 4.381 336 HB3 ASP 40 3HB ASP 40 4.520 11.265 5.251 337 HD2 ASP 40 HD ASP 40 7.608 10.398 6.679 338 H ALA 41 H ALA 41 6.685 8.466 3.392 339 HA ALA 41 HA ALA 41 7.925 9.645 1.000 340 HB1 ALA 41 1HB ALA 41 9.639 9.900 2.475 341 HB2 ALA 41 2HB ALA 41 8.980 8.695 3.608 342 HB3 ALA 41 3HB ALA 41 9.900 8.164 2.179 343 H CYS 42 H CYS 42 9.229 7.940 -0.284 344 HA CYS 42 HA CYS 42 7.458 5.661 -0.614 345 HB2 CYS 42 2HB CYS 42 8.110 7.190 -2.522 346 HB3 CYS 42 3HB CYS 42 9.728 6.523 -2.409 347 HA PRO 43 HA PRO 43 10.337 3.423 1.946 348 HB2 PRO 43 2HB PRO 43 8.780 1.142 0.766 349 HB3 PRO 43 3HB PRO 43 9.217 1.408 2.416 350 HG2 PRO 43 2HG PRO 43 6.704 1.976 1.642 351 HG3 PRO 43 3HG PRO 43 7.533 3.111 2.705 352 HD2 PRO 43 2HD PRO 43 7.095 3.364 -0.276 353 HD3 PRO 43 3HD PRO 43 6.971 4.587 0.948 354 H LYS 44 H LYS 44 11.626 1.180 1.801 355 HA LYS 44 HA LYS 44 13.176 1.419 -0.672 356 HB2 LYS 44 2HB LYS 44 13.934 1.427 2.024 357 HB3 LYS 44 3HB LYS 44 14.389 -0.163 1.449 358 HG2 LYS 44 2HG LYS 44 16.177 0.733 0.386 359 HG3 LYS 44 3HG LYS 44 15.104 1.677 -0.627 360 HD2 LYS 44 2HD LYS 44 16.055 3.500 0.360 361 HD3 LYS 44 3HD LYS 44 15.029 3.127 1.731 362 HE2 LYS 44 2HE LYS 44 16.799 2.480 3.018 363 HE3 LYS 44 3HE LYS 44 17.468 1.480 1.743 364 HZ1 LYS 44 1HZ LYS 44 17.879 4.334 2.202 365 HZ2 LYS 44 2HZ LYS 44 18.996 3.156 2.015 366 HZ3 LYS 44 3HZ LYS 44 18.148 3.691 0.725 367 H ASN 45 H ASN 45 12.542 0.004 -2.212 368 HA ASN 45 HA ASN 45 10.971 -2.159 -1.803 369 HB2 ASN 45 2HB ASN 45 11.865 -2.970 -4.039 370 HB3 ASN 45 3HB ASN 45 11.386 -1.284 -4.051 371 HD21 ASN 45 1HD2 ASN 45 12.891 -1.681 -6.006 372 HD22 ASN 45 2HD2 ASN 45 14.553 -1.243 -5.792 373 H SER 46 H SER 46 11.455 -4.511 -1.739 374 HA SER 46 HA SER 46 14.216 -5.128 -1.097 375 HB2 SER 46 2HB SER 46 11.834 -6.104 0.539 376 HB3 SER 46 3HB SER 46 13.514 -6.518 0.820 377 HG SER 46 HG SER 46 12.233 -3.952 1.137 378 H LEU 47 H LEU 47 14.324 -7.749 -0.860 379 HA LEU 47 HA LEU 47 13.159 -8.710 -3.332 380 HB2 LEU 47 2HB LEU 47 14.693 -10.541 -3.113 381 HB3 LEU 47 3HB LEU 47 15.534 -9.017 -2.913 382 HG LEU 47 HG LEU 47 14.644 -10.216 -0.375 383 HD11 LEU 47 1HD1 LEU 47 16.497 -11.724 -2.218 384 HD12 LEU 47 2HD1 LEU 47 16.592 -11.876 -0.447 385 HD13 LEU 47 3HD1 LEU 47 15.094 -12.321 -1.299 386 HD21 LEU 47 1HD2 LEU 47 16.704 -8.481 -1.380 387 HD22 LEU 47 2HD2 LEU 47 16.196 -8.784 0.298 388 HD23 LEU 47 3HD2 LEU 47 17.437 -9.814 -0.456 389 H LEU 48 H LEU 48 12.837 -9.050 0.188 390 HA LEU 48 HA LEU 48 11.089 -11.340 -0.130 391 HB2 LEU 48 2HB LEU 48 12.454 -9.949 2.114 392 HB3 LEU 48 3HB LEU 48 10.949 -10.768 2.478 393 HG LEU 48 HG LEU 48 12.838 -12.211 2.946 394 HD11 LEU 48 1HD1 LEU 48 11.950 -14.141 2.093 395 HD12 LEU 48 2HD1 LEU 48 10.605 -13.012 1.797 396 HD13 LEU 48 3HD1 LEU 48 11.708 -13.449 0.470 397 HD21 LEU 48 1HD2 LEU 48 13.575 -11.861 0.028 398 HD22 LEU 48 2HD2 LEU 48 14.487 -11.277 1.440 399 HD23 LEU 48 3HD2 LEU 48 14.322 -13.026 1.148 400 H VAL 49 H VAL 49 10.982 -7.839 0.681 401 HA VAL 49 HA VAL 49 8.058 -8.031 0.436 402 HB VAL 49 HB VAL 49 9.712 -6.204 2.191 403 HG11 VAL 49 1HG1 VAL 49 7.616 -5.307 3.012 404 HG12 VAL 49 2HG1 VAL 49 7.685 -5.113 1.244 405 HG13 VAL 49 3HG1 VAL 49 6.691 -6.405 1.960 406 HG21 VAL 49 1HG2 VAL 49 8.010 -7.535 3.856 407 HG22 VAL 49 2HG2 VAL 49 8.353 -8.791 2.642 408 HG23 VAL 49 3HG2 VAL 49 9.691 -8.023 3.530 409 H LYS 50 H LYS 50 7.334 -7.078 -1.389 410 HA LYS 50 HA LYS 50 9.093 -5.145 -2.678 411 HB2 LYS 50 2HB LYS 50 7.950 -7.273 -3.758 412 HB3 LYS 50 3HB LYS 50 6.575 -6.200 -3.918 413 HG2 LYS 50 2HG LYS 50 9.161 -4.975 -4.733 414 HG3 LYS 50 3HG LYS 50 8.688 -6.352 -5.708 415 HD2 LYS 50 2HD LYS 50 6.302 -4.863 -5.395 416 HD3 LYS 50 3HD LYS 50 7.542 -3.648 -5.631 417 HE2 LYS 50 2HE LYS 50 8.221 -5.562 -7.547 418 HE3 LYS 50 3HE LYS 50 6.471 -5.642 -7.547 419 HZ1 LYS 50 1HZ LYS 50 8.154 -3.586 -8.502 420 HZ2 LYS 50 2HZ LYS 50 6.566 -3.839 -8.791 421 HZ3 LYS 50 3HZ LYS 50 7.033 -2.991 -7.475 422 H TYR 51 H TYR 51 8.774 -3.011 -2.393 423 HA TYR 51 HA TYR 51 6.113 -2.186 -1.461 424 HB2 TYR 51 2HB TYR 51 8.902 -0.871 -1.403 425 HB3 TYR 51 3HB TYR 51 7.476 -0.198 -0.639 426 HD1 TYR 51 1HD TYR 51 9.774 -3.137 -0.556 427 HD2 TYR 51 2HD TYR 51 6.887 -0.800 1.568 428 HE1 TYR 51 1HE TYR 51 10.314 -4.400 1.584 429 HE2 TYR 51 2HE TYR 51 7.437 -2.072 3.700 430 HH TYR 51 HH TYR 51 9.531 -3.328 4.555 431 H VAL 52 H VAL 52 4.840 -0.982 -2.784 432 HA VAL 52 HA VAL 52 6.184 0.411 -4.992 433 HB VAL 52 HB VAL 52 3.660 -1.247 -5.026 434 HG11 VAL 52 1HG1 VAL 52 4.076 1.142 -6.431 435 HG12 VAL 52 2HG1 VAL 52 4.436 -0.149 -7.603 436 HG13 VAL 52 3HG1 VAL 52 2.860 -0.111 -6.777 437 HG21 VAL 52 1HG2 VAL 52 5.135 -2.065 -7.147 438 HG22 VAL 52 2HG2 VAL 52 6.433 -1.585 -6.026 439 HG23 VAL 52 3HG2 VAL 52 5.232 -2.801 -5.528 440 H CYS 53 H CYS 53 5.529 2.521 -5.350 441 HA CYS 53 HA CYS 53 3.524 3.491 -3.451 442 HB2 CYS 53 2HB CYS 53 5.680 5.101 -4.822 443 HB3 CYS 53 3HB CYS 53 4.598 5.642 -3.552 444 H CYS 54 H CYS 54 2.192 5.394 -4.334 445 HA CYS 54 HA CYS 54 2.061 5.600 -7.187 446 HB2 CYS 54 2HB CYS 54 -0.516 5.064 -6.977 447 HB3 CYS 54 3HB CYS 54 0.670 3.834 -7.371 448 H ASN 55 H ASN 55 0.567 7.405 -7.797 449 HA ASN 55 HA ASN 55 -0.008 9.072 -5.472 450 HB2 ASN 55 2HB ASN 55 0.427 11.045 -6.982 451 HB3 ASN 55 3HB ASN 55 1.848 10.043 -6.773 452 HD21 ASN 55 1HD2 ASN 55 -0.063 11.618 -8.950 453 HD22 ASN 55 2HD2 ASN 55 0.370 10.812 -10.420 454 H THR 56 H THR 56 -1.755 7.075 -6.819 455 HA THR 56 HA THR 56 -3.708 8.875 -8.096 456 HB THR 56 HB THR 56 -4.500 6.480 -8.973 457 HG1 THR 56 1HG THR 56 -2.432 5.184 -9.117 458 HG21 THR 56 1HG2 THR 56 -1.816 7.501 -10.010 459 HG22 THR 56 2HG2 THR 56 -3.108 6.692 -10.929 460 HG23 THR 56 3HG2 THR 56 -3.337 8.360 -10.351 461 H ASP 57 H ASP 57 -6.047 7.941 -7.841 462 HA ASP 57 HA ASP 57 -6.414 7.820 -5.009 463 HB2 ASP 57 2HB ASP 57 -8.068 8.362 -7.428 464 HB3 ASP 57 3HB ASP 57 -8.931 7.546 -6.139 465 HD2 ASP 57 HD ASP 57 -8.266 10.366 -3.957 466 H ARG 58 H ARG 58 -7.225 5.981 -3.869 467 HA ARG 58 HA ARG 58 -7.443 3.859 -3.463 468 HB2 ARG 58 2HB ARG 58 -9.376 4.465 -5.654 469 HB3 ARG 58 3HB ARG 58 -9.071 2.753 -5.423 470 HG2 ARG 58 2HG ARG 58 -10.323 2.718 -3.531 471 HG3 ARG 58 3HG ARG 58 -9.386 4.020 -2.824 472 HD2 ARG 58 2HD ARG 58 -11.482 5.047 -2.949 473 HD3 ARG 58 3HD ARG 58 -10.805 5.554 -4.482 474 HE ARG 58 HE ARG 58 -12.010 3.137 -5.099 475 HH11 ARG 58 1HH1 ARG 58 -15.359 4.077 -5.383 476 HH12 ARG 58 2HH1 ARG 58 -14.168 2.893 -5.810 477 HH21 ARG 58 1HH2 ARG 58 -14.761 5.911 -4.091 478 HH22 ARG 58 2HH2 ARG 58 -13.125 6.095 -3.553 479 H CYS 59 H CYS 59 -5.076 4.476 -5.006 480 HA CYS 59 HA CYS 59 -4.780 2.788 -7.211 481 HB2 CYS 59 2HB CYS 59 -2.468 3.273 -7.100 482 HB3 CYS 59 3HB CYS 59 -3.339 4.734 -6.679 483 H ASN 60 H ASN 60 -3.961 2.466 -3.690 484 HA ASN 60 HA ASN 60 -3.408 -0.338 -4.182 485 HB2 ASN 60 2HB ASN 60 -2.357 -0.320 -1.942 486 HB3 ASN 60 3HB ASN 60 -1.714 1.000 -2.898 487 HD21 ASN 60 1HD2 ASN 60 -4.205 0.162 -0.526 488 HD22 ASN 60 2HD2 ASN 60 -4.271 1.690 0.287 Start of MODEL 7 1 H1 LEU 1 H LEU 1 -5.738 13.088 -0.571 2 HA LEU 1 HA LEU 1 -5.651 11.645 -2.904 3 HB2 LEU 1 2HB LEU 1 -3.147 12.341 -2.580 4 HB3 LEU 1 3HB LEU 1 -3.130 11.042 -1.405 5 HG LEU 1 HG LEU 1 -4.219 9.695 -3.451 6 HD11 LEU 1 1HD1 LEU 1 -4.035 11.919 -4.798 7 HD12 LEU 1 2HD1 LEU 1 -2.324 11.457 -4.974 8 HD13 LEU 1 3HD1 LEU 1 -3.605 10.374 -5.571 9 HD21 LEU 1 1HD2 LEU 1 -1.825 9.683 -2.115 10 HD22 LEU 1 2HD2 LEU 1 -2.317 8.517 -3.368 11 HD23 LEU 1 3HD2 LEU 1 -1.311 9.921 -3.803 12 H LYS 2 H LYS 2 -6.428 9.543 -2.543 13 HA LYS 2 HA LYS 2 -6.700 8.825 0.291 14 HB2 LYS 2 2HB LYS 2 -8.788 8.888 -1.884 15 HB3 LYS 2 3HB LYS 2 -8.947 7.801 -0.519 16 HG2 LYS 2 2HG LYS 2 -9.034 9.594 1.060 17 HG3 LYS 2 3HG LYS 2 -8.353 10.746 -0.070 18 HD2 LYS 2 2HD LYS 2 -10.595 10.007 -1.462 19 HD3 LYS 2 3HD LYS 2 -11.169 9.760 0.175 20 HE2 LYS 2 2HE LYS 2 -11.116 12.016 0.689 21 HE3 LYS 2 3HE LYS 2 -9.677 12.313 -0.268 22 HZ1 LYS 2 1HZ LYS 2 -12.325 12.710 -0.991 23 HZ2 LYS 2 2HZ LYS 2 -10.983 13.038 -1.863 24 HZ3 LYS 2 3HZ LYS 2 -11.709 11.582 -1.998 25 H CYS 3 H CYS 3 -6.613 6.570 0.774 26 HA CYS 3 HA CYS 3 -5.706 4.945 -1.486 27 HB2 CYS 3 2HB CYS 3 -4.600 4.682 1.304 28 HB3 CYS 3 3HB CYS 3 -4.024 3.918 -0.165 29 H ASN 4 H ASN 4 -6.352 2.686 -1.351 30 HA ASN 4 HA ASN 4 -8.824 2.356 -0.078 31 HB2 ASN 4 2HB ASN 4 -7.679 1.182 -2.219 32 HB3 ASN 4 3HB ASN 4 -7.188 -0.009 -1.030 33 HD21 ASN 4 1HD2 ASN 4 -9.756 1.339 -2.865 34 HD22 ASN 4 2HD2 ASN 4 -11.032 0.277 -2.373 35 H LYS 5 H LYS 5 -9.254 0.388 1.440 36 HA LYS 5 HA LYS 5 -7.180 0.371 3.481 37 HB2 LYS 5 2HB LYS 5 -10.074 -0.532 3.542 38 HB3 LYS 5 3HB LYS 5 -8.974 -0.589 4.905 39 HG2 LYS 5 2HG LYS 5 -9.022 2.058 3.582 40 HG3 LYS 5 3HG LYS 5 -10.591 1.581 4.198 41 HD2 LYS 5 2HD LYS 5 -8.041 1.463 5.870 42 HD3 LYS 5 3HD LYS 5 -9.107 2.853 5.849 43 HE2 LYS 5 2HE LYS 5 -10.467 0.236 6.324 44 HE3 LYS 5 3HE LYS 5 -9.362 0.734 7.591 45 HZ1 LYS 5 1HZ LYS 5 -11.053 1.970 8.264 46 HZ2 LYS 5 2HZ LYS 5 -10.706 2.988 7.035 47 HZ3 LYS 5 3HZ LYS 5 -11.867 1.855 6.853 48 H LEU 6 H LEU 6 -7.734 -2.085 4.732 49 HA LEU 6 HA LEU 6 -6.167 -3.798 3.149 50 HB2 LEU 6 2HB LEU 6 -6.595 -3.582 5.748 51 HB3 LEU 6 3HB LEU 6 -7.814 -4.800 5.428 52 HG LEU 6 HG LEU 6 -4.852 -5.042 4.835 53 HD11 LEU 6 1HD1 LEU 6 -5.294 -5.163 7.208 54 HD12 LEU 6 2HD1 LEU 6 -6.588 -6.356 6.942 55 HD13 LEU 6 3HD1 LEU 6 -4.896 -6.783 6.591 56 HD21 LEU 6 1HD2 LEU 6 -5.440 -6.553 3.309 57 HD22 LEU 6 2HD2 LEU 6 -5.977 -7.571 4.668 58 HD23 LEU 6 3HD2 LEU 6 -7.144 -6.528 3.821 59 H ILE 7 H ILE 7 -9.698 -3.589 3.842 60 HA ILE 7 HA ILE 7 -10.123 -5.806 1.994 61 HB ILE 7 HB ILE 7 -11.828 -4.432 4.055 62 HG12 ILE 7 2HG1 ILE 7 -10.094 -6.419 4.418 63 HG13 ILE 7 3HG1 ILE 7 -11.606 -6.318 5.298 64 HG21 ILE 7 1HG2 ILE 7 -13.521 -4.699 2.571 65 HG22 ILE 7 2HG2 ILE 7 -12.681 -5.980 1.663 66 HG23 ILE 7 3HG2 ILE 7 -13.478 -6.360 3.209 67 HD11 ILE 7 1HD1 ILE 7 -11.648 -7.713 2.629 68 HD12 ILE 7 2HD1 ILE 7 -10.888 -8.553 4.002 69 HD13 ILE 7 3HD1 ILE 7 -12.592 -8.051 4.100 70 HA PRO 8 HA PRO 8 -10.425 -2.771 -1.209 71 HB2 PRO 8 2HB PRO 8 -11.642 -5.170 -2.557 72 HB3 PRO 8 3HB PRO 8 -10.479 -4.058 -3.186 73 HG2 PRO 8 2HG PRO 8 -9.626 -6.446 -2.284 74 HG3 PRO 8 3HG PRO 8 -8.694 -5.009 -1.871 75 HD2 PRO 8 2HD PRO 8 -10.607 -6.536 -0.107 76 HD3 PRO 8 3HD PRO 8 -9.082 -5.818 0.308 77 H LEU 9 H LEU 9 -12.120 -1.583 0.167 78 HA LEU 9 HA LEU 9 -14.293 -1.001 -1.472 79 HB2 LEU 9 2HB LEU 9 -16.100 -2.059 -0.611 80 HB3 LEU 9 3HB LEU 9 -14.893 -3.319 -0.445 81 HG LEU 9 HG LEU 9 -14.587 -2.318 1.972 82 HD11 LEU 9 1HD1 LEU 9 -16.305 -0.455 1.235 83 HD12 LEU 9 2HD1 LEU 9 -17.498 -1.680 1.732 84 HD13 LEU 9 3HD1 LEU 9 -16.285 -1.095 2.896 85 HD21 LEU 9 1HD2 LEU 9 -15.270 -4.582 1.594 86 HD22 LEU 9 2HD2 LEU 9 -16.373 -3.862 2.790 87 HD23 LEU 9 3HD2 LEU 9 -16.900 -4.067 1.101 88 H ALA 10 H ALA 10 -12.808 -1.083 1.783 89 HA ALA 10 HA ALA 10 -14.029 1.496 2.385 90 HB1 ALA 10 1HB ALA 10 -12.841 1.032 4.626 91 HB2 ALA 10 2HB ALA 10 -14.193 -0.039 4.187 92 HB3 ALA 10 3HB ALA 10 -12.514 -0.592 3.979 93 H TYR 11 H TYR 11 -12.865 3.410 2.502 94 HA TYR 11 HA TYR 11 -9.977 3.204 2.034 95 HB2 TYR 11 2HB TYR 11 -10.308 5.087 0.377 96 HB3 TYR 11 3HB TYR 11 -11.214 3.668 -0.110 97 HD1 TYR 11 1HD TYR 11 -11.453 7.094 1.201 98 HD2 TYR 11 2HD TYR 11 -13.659 3.640 -0.023 99 HE1 TYR 11 1HE TYR 11 -13.584 8.477 1.116 100 HE2 TYR 11 2HE TYR 11 -15.783 5.034 -0.105 101 HH TYR 11 HH TYR 11 -16.120 7.778 -0.490 102 H LYS 12 H LYS 12 -8.853 5.351 2.483 103 HA LYS 12 HA LYS 12 -10.322 7.152 4.188 104 HB2 LYS 12 2HB LYS 12 -9.401 5.049 5.523 105 HB3 LYS 12 3HB LYS 12 -7.894 5.941 5.455 106 HG2 LYS 12 2HG LYS 12 -8.692 7.000 7.320 107 HG3 LYS 12 3HG LYS 12 -9.608 7.961 6.176 108 HD2 LYS 12 2HD LYS 12 -10.763 5.331 7.131 109 HD3 LYS 12 3HD LYS 12 -10.834 6.723 8.193 110 HE2 LYS 12 2HE LYS 12 -12.015 8.035 6.448 111 HE3 LYS 12 3HE LYS 12 -11.875 6.701 5.319 112 HZ1 LYS 12 1HZ LYS 12 -14.009 6.859 6.539 113 HZ2 LYS 12 2HZ LYS 12 -13.282 5.402 6.652 114 HZ3 LYS 12 3HZ LYS 12 -13.226 6.442 7.910 115 H THR 13 H THR 13 -9.214 9.172 4.478 116 HA THR 13 HA THR 13 -7.481 9.781 2.302 117 HB THR 13 HB THR 13 -8.608 11.284 4.708 118 HG1 THR 13 1HG THR 13 -8.835 11.536 1.797 119 HG21 THR 13 1HG2 THR 13 -6.910 12.811 4.355 120 HG22 THR 13 2HG2 THR 13 -6.452 12.072 2.801 121 HG23 THR 13 3HG2 THR 13 -7.822 13.205 2.879 122 H CYS 14 H CYS 14 -5.309 10.486 2.318 123 HA CYS 14 HA CYS 14 -3.737 9.029 4.187 124 HB2 CYS 14 2HB CYS 14 -2.768 11.040 2.159 125 HB3 CYS 14 3HB CYS 14 -1.849 9.750 2.912 126 HA PRO 15 HA PRO 15 -4.031 12.249 7.243 127 HB2 PRO 15 2HB PRO 15 -1.692 10.696 8.317 128 HB3 PRO 15 3HB PRO 15 -3.071 11.291 9.171 129 HG2 PRO 15 2HG PRO 15 -3.004 8.689 8.506 130 HG3 PRO 15 3HG PRO 15 -4.508 9.572 8.265 131 HD2 PRO 15 2HD PRO 15 -2.467 8.804 6.170 132 HD3 PRO 15 3HD PRO 15 -4.198 8.741 6.074 133 H ALA 16 H ALA 16 -2.326 13.584 8.718 134 HA ALA 16 HA ALA 16 -1.167 15.411 6.962 135 HB1 ALA 16 1HB ALA 16 -0.078 16.231 9.145 136 HB2 ALA 16 2HB ALA 16 -1.856 16.156 9.111 137 HB3 ALA 16 3HB ALA 16 -0.927 14.883 9.939 138 H GLY 17 H GLY 17 0.736 15.408 5.869 139 HA2 GLY 17 1HA GLY 17 3.013 15.087 5.641 140 HA3 GLY 17 2HA GLY 17 3.008 13.946 6.970 141 H LYS 18 H LYS 18 0.502 12.593 5.744 142 HA LYS 18 HA LYS 18 2.028 10.987 3.831 143 HB2 LYS 18 2HB LYS 18 -0.251 10.391 5.710 144 HB3 LYS 18 3HB LYS 18 0.052 9.362 4.325 145 HG2 LYS 18 2HG LYS 18 2.448 9.103 5.091 146 HG3 LYS 18 3HG LYS 18 2.067 10.048 6.516 147 HD2 LYS 18 2HD LYS 18 0.087 7.937 6.214 148 HD3 LYS 18 3HD LYS 18 1.692 7.238 6.131 149 HE2 LYS 18 2HE LYS 18 1.098 9.263 8.298 150 HE3 LYS 18 3HE LYS 18 0.497 7.628 8.485 151 HZ1 LYS 18 1HZ LYS 18 2.836 6.923 7.990 152 HZ2 LYS 18 2HZ LYS 18 3.282 8.481 8.194 153 HZ3 LYS 18 3HZ LYS 18 2.603 7.657 9.430 154 H ASN 19 H ASN 19 1.761 11.740 1.786 155 HA ASN 19 HA ASN 19 -1.001 12.276 1.020 156 HB2 ASN 19 2HB ASN 19 -0.266 14.083 -0.415 157 HB3 ASN 19 3HB ASN 19 0.527 14.344 1.126 158 HD21 ASN 19 1HD2 ASN 19 2.717 13.577 1.399 159 HD22 ASN 19 2HD2 ASN 19 3.808 13.546 0.053 160 H LEU 20 H LEU 20 1.285 10.008 0.892 161 HA LEU 20 HA LEU 20 0.891 9.467 -1.967 162 HB2 LEU 20 2HB LEU 20 3.345 9.333 -0.279 163 HB3 LEU 20 3HB LEU 20 3.133 8.126 -1.531 164 HG LEU 20 HG LEU 20 3.086 11.119 -2.005 165 HD11 LEU 20 1HD1 LEU 20 5.294 10.147 -1.218 166 HD12 LEU 20 2HD1 LEU 20 5.319 9.219 -2.736 167 HD13 LEU 20 3HD1 LEU 20 5.313 10.998 -2.782 168 HD21 LEU 20 1HD2 LEU 20 3.623 10.029 -4.413 169 HD22 LEU 20 2HD2 LEU 20 2.586 8.757 -3.723 170 HD23 LEU 20 3HD2 LEU 20 1.982 10.427 -3.848 171 H CYS 21 H CYS 21 0.709 7.171 -2.527 172 HA CYS 21 HA CYS 21 -0.448 5.704 -0.282 173 HB2 CYS 21 2HB CYS 21 -0.897 5.550 -3.259 174 HB3 CYS 21 3HB CYS 21 -1.441 4.292 -2.166 175 H TYR 22 H TYR 22 0.104 3.387 -0.083 176 HA TYR 22 HA TYR 22 2.383 2.486 -1.645 177 HB2 TYR 22 2HB TYR 22 3.798 2.349 0.279 178 HB3 TYR 22 3HB TYR 22 2.922 3.827 0.623 179 HD1 TYR 22 1HD TYR 22 1.769 4.055 2.648 180 HD2 TYR 22 2HD TYR 22 2.789 0.139 1.259 181 HE1 TYR 22 1HE TYR 22 0.964 3.059 4.845 182 HE2 TYR 22 2HE TYR 22 1.980 -0.844 3.461 183 HH TYR 22 HH TYR 22 1.141 -0.449 5.404 184 H LYS 23 H LYS 23 2.858 0.142 -1.242 185 HA LYS 23 HA LYS 23 0.732 -1.291 0.114 186 HB2 LYS 23 2HB LYS 23 0.099 -2.611 -1.788 187 HB3 LYS 23 3HB LYS 23 -0.110 -0.920 -2.192 188 HG2 LYS 23 2HG LYS 23 2.124 -0.932 -3.346 189 HG3 LYS 23 3HG LYS 23 2.296 -2.635 -2.970 190 HD2 LYS 23 2HD LYS 23 1.455 -2.422 -5.257 191 HD3 LYS 23 3HD LYS 23 0.193 -3.118 -4.259 192 HE2 LYS 23 2HE LYS 23 -0.882 -0.880 -4.026 193 HE3 LYS 23 3HE LYS 23 0.401 -0.153 -4.975 194 HZ1 LYS 23 1HZ LYS 23 -0.521 -0.881 -6.836 195 HZ2 LYS 23 2HZ LYS 23 -0.802 -2.385 -6.263 196 HZ3 LYS 23 3HZ LYS 23 -1.868 -1.184 -5.965 197 H MET 24 H MET 24 1.530 -3.065 1.154 198 HA MET 24 HA MET 24 4.317 -3.660 0.579 199 HB2 MET 24 2HB MET 24 2.553 -3.638 2.991 200 HB3 MET 24 3HB MET 24 3.621 -5.027 2.920 201 HG2 MET 24 2HG MET 24 4.648 -3.075 4.128 202 HG3 MET 24 3HG MET 24 5.597 -3.587 2.747 203 HE1 MET 24 1HE MET 24 3.765 -0.670 4.444 204 HE2 MET 24 2HE MET 24 5.539 -0.812 4.378 205 HE3 MET 24 3HE MET 24 4.722 0.539 3.557 206 H PHE 25 H PHE 25 4.763 -5.466 -0.601 207 HA PHE 25 HA PHE 25 2.765 -7.615 -0.517 208 HB2 PHE 25 2HB PHE 25 4.653 -6.439 -2.607 209 HB3 PHE 25 3HB PHE 25 4.146 -8.108 -2.781 210 HD1 PHE 25 1HD PHE 25 2.701 -8.137 -4.593 211 HD2 PHE 25 2HD PHE 25 2.207 -5.138 -1.632 212 HE1 PHE 25 1HE PHE 25 0.588 -7.377 -5.715 213 HE2 PHE 25 2HE PHE 25 0.094 -4.378 -2.754 214 HZ PHE 25 HZ PHE 25 -0.690 -5.507 -4.783 215 H MET 26 H MET 26 3.486 -9.791 -0.326 216 HA MET 26 HA MET 26 6.260 -9.966 0.562 217 HB2 MET 26 2HB MET 26 3.783 -11.629 1.294 218 HB3 MET 26 3HB MET 26 5.398 -11.992 1.868 219 HG2 MET 26 2HG MET 26 3.949 -9.346 2.366 220 HG3 MET 26 3HG MET 26 4.030 -10.662 3.521 221 HE1 MET 26 1HE MET 26 5.864 -11.355 4.838 222 HE2 MET 26 2HE MET 26 6.988 -11.811 3.536 223 HE3 MET 26 3HE MET 26 7.529 -10.726 4.838 224 H VAL 27 H VAL 27 7.574 -11.703 -0.183 225 HA VAL 27 HA VAL 27 7.269 -12.505 -2.760 226 HB VAL 27 HB VAL 27 9.197 -12.693 -0.967 227 HG11 VAL 27 1HG1 VAL 27 9.623 -14.893 -0.150 228 HG12 VAL 27 2HG1 VAL 27 7.941 -14.501 0.286 229 HG13 VAL 27 3HG1 VAL 27 8.276 -15.578 -1.092 230 HG21 VAL 27 1HG2 VAL 27 8.709 -14.047 -3.558 231 HG22 VAL 27 2HG2 VAL 27 10.030 -12.964 -3.055 232 HG23 VAL 27 3HG2 VAL 27 10.065 -14.684 -2.597 233 H SER 28 H SER 28 5.951 -13.996 0.219 234 HA SER 28 HA SER 28 5.253 -16.423 -0.608 235 HB2 SER 28 2HB SER 28 4.717 -15.679 1.624 236 HB3 SER 28 3HB SER 28 3.659 -14.416 1.030 237 HG SER 28 HG SER 28 2.290 -16.065 1.660 238 H ASN 29 H ASN 29 3.780 -13.311 -1.584 239 HA ASN 29 HA ASN 29 2.674 -14.552 -3.863 240 HB2 ASN 29 2HB ASN 29 0.946 -14.994 -1.971 241 HB3 ASN 29 3HB ASN 29 0.673 -13.262 -1.942 242 HD21 ASN 29 1HD2 ASN 29 -0.767 -15.861 -2.871 243 HD22 ASN 29 2HD2 ASN 29 -1.478 -15.426 -4.390 244 H LYS 30 H LYS 30 3.898 -12.893 -4.958 245 HA LYS 30 HA LYS 30 3.668 -10.163 -4.162 246 HB2 LYS 30 2HB LYS 30 5.349 -11.753 -5.858 247 HB3 LYS 30 3HB LYS 30 4.732 -10.409 -6.795 248 HG2 LYS 30 2HG LYS 30 5.412 -8.857 -4.890 249 HG3 LYS 30 3HG LYS 30 6.170 -10.230 -4.108 250 HD2 LYS 30 2HD LYS 30 7.179 -10.339 -6.731 251 HD3 LYS 30 3HD LYS 30 7.119 -8.622 -6.390 252 HE2 LYS 30 2HE LYS 30 8.458 -8.914 -4.351 253 HE3 LYS 30 3HE LYS 30 8.383 -10.660 -4.498 254 HZ1 LYS 30 1HZ LYS 30 9.417 -10.146 -6.803 255 HZ2 LYS 30 2HZ LYS 30 9.906 -8.766 -6.080 256 HZ3 LYS 30 3HZ LYS 30 10.361 -10.212 -5.473 257 H THR 31 H THR 31 1.481 -12.245 -5.555 258 HA THR 31 HA THR 31 0.405 -10.224 -7.387 259 HB THR 31 HB THR 31 -0.255 -13.185 -6.942 260 HG1 THR 31 1HG THR 31 1.711 -13.078 -8.035 261 HG21 THR 31 1HG2 THR 31 -0.928 -12.310 -9.557 262 HG22 THR 31 2HG2 THR 31 -2.071 -12.763 -8.270 263 HG23 THR 31 3HG2 THR 31 -1.587 -11.061 -8.472 264 H VAL 32 H VAL 32 0.241 -11.046 -4.141 265 HA VAL 32 HA VAL 32 -2.369 -9.756 -3.975 266 HB VAL 32 HB VAL 32 -1.613 -12.400 -2.725 267 HG11 VAL 32 1HG1 VAL 32 -2.629 -11.187 -0.951 268 HG12 VAL 32 2HG1 VAL 32 -3.866 -10.498 -2.030 269 HG13 VAL 32 3HG1 VAL 32 -3.901 -12.232 -1.628 270 HG21 VAL 32 1HG2 VAL 32 -2.524 -12.900 -4.797 271 HG22 VAL 32 2HG2 VAL 32 -3.968 -12.920 -3.756 272 HG23 VAL 32 3HG2 VAL 32 -3.623 -11.501 -4.773 273 HA PRO 33 HA PRO 33 0.064 -7.464 -1.160 274 HB2 PRO 33 2HB PRO 33 -1.898 -5.816 -0.188 275 HB3 PRO 33 3HB PRO 33 -1.168 -5.615 -1.741 276 HG2 PRO 33 2HG PRO 33 -3.828 -6.926 -1.042 277 HG3 PRO 33 3HG PRO 33 -3.432 -5.869 -2.393 278 HD2 PRO 33 2HD PRO 33 -3.571 -8.591 -2.705 279 HD3 PRO 33 3HD PRO 33 -2.564 -7.582 -3.696 280 H VAL 34 H VAL 34 0.547 -6.927 1.060 281 HA VAL 34 HA VAL 34 -0.783 -8.773 2.920 282 HB VAL 34 HB VAL 34 1.758 -8.927 2.171 283 HG11 VAL 34 1HG1 VAL 34 2.112 -7.255 4.648 284 HG12 VAL 34 2HG1 VAL 34 3.291 -7.674 3.382 285 HG13 VAL 34 3HG1 VAL 34 2.017 -6.476 3.050 286 HG21 VAL 34 1HG2 VAL 34 1.208 -9.227 5.117 287 HG22 VAL 34 2HG2 VAL 34 0.348 -10.239 3.931 288 HG23 VAL 34 3HG2 VAL 34 2.125 -10.288 4.022 289 H LYS 35 H LYS 35 0.348 -5.468 2.235 290 HA LYS 35 HA LYS 35 -1.359 -4.523 4.366 291 HB2 LYS 35 2HB LYS 35 1.601 -4.483 4.528 292 HB3 LYS 35 3HB LYS 35 0.806 -2.969 4.905 293 HG2 LYS 35 2HG LYS 35 -0.644 -5.171 6.152 294 HG3 LYS 35 3HG LYS 35 1.052 -5.265 6.583 295 HD2 LYS 35 2HD LYS 35 0.713 -2.606 6.952 296 HD3 LYS 35 3HD LYS 35 -0.949 -3.100 7.196 297 HE2 LYS 35 2HE LYS 35 -0.444 -3.778 9.296 298 HE3 LYS 35 3HE LYS 35 0.669 -4.968 8.647 299 HZ1 LYS 35 1HZ LYS 35 1.344 -2.795 10.098 300 HZ2 LYS 35 2HZ LYS 35 2.376 -3.716 9.229 301 HZ3 LYS 35 3HZ LYS 35 1.752 -2.353 8.580 302 H ARG 36 H ARG 36 -2.016 -2.323 4.051 303 HA ARG 36 HA ARG 36 -0.948 -1.036 1.714 304 HB2 ARG 36 2HB ARG 36 -3.753 -2.127 1.951 305 HB3 ARG 36 3HB ARG 36 -3.560 -0.578 1.156 306 HG2 ARG 36 2HG ARG 36 -2.316 -1.475 -0.619 307 HG3 ARG 36 3HG ARG 36 -1.700 -2.806 0.339 308 HD2 ARG 36 2HD ARG 36 -4.653 -2.586 -0.393 309 HD3 ARG 36 3HD ARG 36 -3.495 -3.371 -1.448 310 HE ARG 36 HE ARG 36 -3.052 -4.542 1.049 311 HH11 ARG 36 1HH1 ARG 36 -5.564 -6.965 1.057 312 HH12 ARG 36 2HH1 ARG 36 -4.050 -6.477 1.744 313 HH21 ARG 36 1HH2 ARG 36 -6.577 -5.653 -0.567 314 HH22 ARG 36 2HH2 ARG 36 -5.821 -4.187 -1.094 315 H GLY 37 H GLY 37 -1.141 1.261 1.834 316 HA2 GLY 37 1HA GLY 37 -2.967 2.652 3.427 317 HA3 GLY 37 2HA GLY 37 -1.531 2.374 4.392 318 H CYS 38 H CYS 38 -1.616 4.886 4.203 319 HA CYS 38 HA CYS 38 -0.367 5.717 1.695 320 HB2 CYS 38 2HB CYS 38 -1.775 7.320 3.835 321 HB3 CYS 38 3HB CYS 38 -0.925 8.030 2.476 322 H ILE 39 H ILE 39 1.538 7.190 1.888 323 HA ILE 39 HA ILE 39 2.815 7.239 4.489 324 HB ILE 39 HB ILE 39 3.384 5.081 3.159 325 HG12 ILE 39 2HG1 ILE 39 5.772 6.632 4.131 326 HG13 ILE 39 3HG1 ILE 39 4.492 6.197 5.247 327 HG21 ILE 39 1HG2 ILE 39 5.451 5.455 1.737 328 HG22 ILE 39 2HG2 ILE 39 3.896 5.932 1.017 329 HG23 ILE 39 3HG2 ILE 39 4.987 7.172 1.679 330 HD11 ILE 39 1HD1 ILE 39 5.011 3.959 5.194 331 HD12 ILE 39 2HD1 ILE 39 5.407 3.989 3.459 332 HD13 ILE 39 3HD1 ILE 39 6.597 4.559 4.653 333 H ASP 40 H ASP 40 4.725 8.723 4.487 334 HA ASP 40 HA ASP 40 4.057 11.009 2.989 335 HB2 ASP 40 2HB ASP 40 6.707 10.665 4.407 336 HB3 ASP 40 3HB ASP 40 5.723 12.107 4.273 337 HD2 ASP 40 HD ASP 40 6.449 10.511 7.094 338 H ALA 41 H ALA 41 7.032 8.902 3.212 339 HA ALA 41 HA ALA 41 7.767 9.824 0.524 340 HB1 ALA 41 1HB ALA 41 9.902 8.412 1.749 341 HB2 ALA 41 2HB ALA 41 9.775 10.165 1.469 342 HB3 ALA 41 3HB ALA 41 9.213 9.468 3.006 343 H CYS 42 H CYS 42 8.619 8.197 -0.986 344 HA CYS 42 HA CYS 42 7.012 5.867 -0.925 345 HB2 CYS 42 2HB CYS 42 7.664 7.136 -2.976 346 HB3 CYS 42 3HB CYS 42 9.299 6.534 -2.788 347 HA PRO 43 HA PRO 43 9.697 3.516 1.663 348 HB2 PRO 43 2HB PRO 43 8.307 1.219 0.329 349 HB3 PRO 43 3HB PRO 43 8.548 1.503 2.017 350 HG2 PRO 43 2HG PRO 43 6.128 2.012 0.966 351 HG3 PRO 43 3HG PRO 43 6.811 3.180 2.094 352 HD2 PRO 43 2HD PRO 43 6.748 3.367 -0.934 353 HD3 PRO 43 3HD PRO 43 6.375 4.592 0.235 354 H LYS 44 H LYS 44 10.938 1.186 1.537 355 HA LYS 44 HA LYS 44 12.682 1.466 -0.810 356 HB2 LYS 44 2HB LYS 44 13.262 0.776 2.069 357 HB3 LYS 44 3HB LYS 44 14.364 0.315 0.788 358 HG2 LYS 44 2HG LYS 44 13.867 2.961 0.138 359 HG3 LYS 44 3HG LYS 44 13.764 3.016 1.887 360 HD2 LYS 44 2HD LYS 44 16.042 3.213 1.799 361 HD3 LYS 44 3HD LYS 44 16.018 1.473 1.590 362 HE2 LYS 44 2HE LYS 44 16.105 1.698 -0.852 363 HE3 LYS 44 3HE LYS 44 15.906 3.435 -0.748 364 HZ1 LYS 44 1HZ LYS 44 18.050 2.796 0.845 365 HZ2 LYS 44 2HZ LYS 44 18.257 1.945 -0.533 366 HZ3 LYS 44 3HZ LYS 44 18.082 3.567 -0.594 367 H ASN 45 H ASN 45 12.173 -0.048 -2.303 368 HA ASN 45 HA ASN 45 10.691 -2.276 -1.808 369 HB2 ASN 45 2HB ASN 45 11.617 -3.111 -4.014 370 HB3 ASN 45 3HB ASN 45 11.067 -1.449 -4.088 371 HD21 ASN 45 1HD2 ASN 45 12.717 -2.223 -5.994 372 HD22 ASN 45 2HD2 ASN 45 14.313 -1.577 -5.810 373 H SER 46 H SER 46 11.335 -4.603 -1.711 374 HA SER 46 HA SER 46 14.120 -5.003 -0.994 375 HB2 SER 46 2HB SER 46 12.021 -6.486 0.574 376 HB3 SER 46 3HB SER 46 13.654 -6.051 1.042 377 HG SER 46 HG SER 46 12.965 -4.167 1.818 378 H LEU 47 H LEU 47 14.420 -7.605 -0.719 379 HA LEU 47 HA LEU 47 13.526 -8.668 -3.234 380 HB2 LEU 47 2HB LEU 47 15.847 -8.864 -2.265 381 HB3 LEU 47 3HB LEU 47 15.193 -9.999 -1.102 382 HG LEU 47 HG LEU 47 14.662 -10.564 -3.980 383 HD11 LEU 47 1HD1 LEU 47 17.008 -9.830 -4.004 384 HD12 LEU 47 2HD1 LEU 47 17.387 -11.020 -2.735 385 HD13 LEU 47 3HD1 LEU 47 16.845 -11.570 -4.338 386 HD21 LEU 47 1HD2 LEU 47 14.480 -11.930 -1.488 387 HD22 LEU 47 2HD2 LEU 47 14.025 -12.500 -3.111 388 HD23 LEU 47 3HD2 LEU 47 15.672 -12.782 -2.499 389 H LEU 48 H LEU 48 12.987 -9.243 0.280 390 HA LEU 48 HA LEU 48 11.213 -11.434 -0.281 391 HB2 LEU 48 2HB LEU 48 12.673 -10.410 1.950 392 HB3 LEU 48 3HB LEU 48 10.981 -10.500 2.394 393 HG LEU 48 HG LEU 48 12.268 -12.870 1.077 394 HD11 LEU 48 1HD1 LEU 48 12.366 -12.802 4.038 395 HD12 LEU 48 2HD1 LEU 48 13.474 -13.547 2.861 396 HD13 LEU 48 3HD1 LEU 48 13.563 -11.799 3.183 397 HD21 LEU 48 1HD2 LEU 48 10.149 -12.672 3.231 398 HD22 LEU 48 2HD2 LEU 48 9.819 -12.783 1.486 399 HD23 LEU 48 3HD2 LEU 48 10.637 -14.123 2.325 400 H VAL 49 H VAL 49 10.902 -8.095 1.120 401 HA VAL 49 HA VAL 49 8.053 -8.241 0.437 402 HB VAL 49 HB VAL 49 8.431 -7.879 2.763 403 HG11 VAL 49 1HG1 VAL 49 10.535 -7.112 3.192 404 HG12 VAL 49 2HG1 VAL 49 10.536 -5.999 1.804 405 HG13 VAL 49 3HG1 VAL 49 9.671 -5.560 3.295 406 HG21 VAL 49 1HG2 VAL 49 7.062 -6.040 1.102 407 HG22 VAL 49 2HG2 VAL 49 6.752 -6.414 2.814 408 HG23 VAL 49 3HG2 VAL 49 7.851 -5.084 2.380 409 H LYS 50 H LYS 50 7.302 -7.049 -1.243 410 HA LYS 50 HA LYS 50 9.169 -5.099 -2.378 411 HB2 LYS 50 2HB LYS 50 8.586 -6.912 -3.877 412 HB3 LYS 50 3HB LYS 50 6.876 -6.646 -3.616 413 HG2 LYS 50 2HG LYS 50 7.389 -5.553 -5.691 414 HG3 LYS 50 3HG LYS 50 7.205 -4.267 -4.515 415 HD2 LYS 50 2HD LYS 50 9.269 -3.535 -5.109 416 HD3 LYS 50 3HD LYS 50 9.930 -4.957 -4.326 417 HE2 LYS 50 2HE LYS 50 9.765 -6.240 -6.444 418 HE3 LYS 50 3HE LYS 50 9.007 -4.874 -7.238 419 HZ1 LYS 50 1HZ LYS 50 11.462 -4.195 -5.975 420 HZ2 LYS 50 2HZ LYS 50 11.647 -5.338 -7.126 421 HZ3 LYS 50 3HZ LYS 50 10.965 -3.903 -7.503 422 H TYR 51 H TYR 51 8.664 -2.947 -2.469 423 HA TYR 51 HA TYR 51 6.033 -2.229 -1.370 424 HB2 TYR 51 2HB TYR 51 8.790 -0.859 -1.512 425 HB3 TYR 51 3HB TYR 51 7.371 -0.067 -0.859 426 HD1 TYR 51 1HD TYR 51 9.495 -3.112 -0.378 427 HD2 TYR 51 2HD TYR 51 6.872 -0.250 1.422 428 HE1 TYR 51 1HE TYR 51 9.996 -4.086 1.916 429 HE2 TYR 51 2HE TYR 51 7.383 -1.234 3.710 430 HH TYR 51 HH TYR 51 8.587 -4.136 4.195 431 H VAL 52 H VAL 52 4.657 -0.944 -2.545 432 HA VAL 52 HA VAL 52 5.762 0.295 -4.960 433 HB VAL 52 HB VAL 52 3.440 -1.594 -4.698 434 HG11 VAL 52 1HG1 VAL 52 2.187 -0.151 -5.899 435 HG12 VAL 52 2HG1 VAL 52 3.593 0.824 -6.388 436 HG13 VAL 52 3HG1 VAL 52 3.201 -0.674 -7.265 437 HG21 VAL 52 1HG2 VAL 52 5.243 -2.797 -5.475 438 HG22 VAL 52 2HG2 VAL 52 4.539 -2.246 -7.014 439 HG23 VAL 52 3HG2 VAL 52 5.950 -1.404 -6.329 440 H CYS 53 H CYS 53 5.336 2.438 -4.985 441 HA CYS 53 HA CYS 53 3.112 3.330 -3.302 442 HB2 CYS 53 2HB CYS 53 4.247 5.378 -2.954 443 HB3 CYS 53 3HB CYS 53 5.371 4.078 -2.608 444 H CYS 54 H CYS 54 1.781 5.114 -4.190 445 HA CYS 54 HA CYS 54 2.143 5.642 -7.013 446 HB2 CYS 54 2HB CYS 54 -0.469 5.219 -7.159 447 HB3 CYS 54 3HB CYS 54 0.716 3.978 -7.523 448 H ASN 55 H ASN 55 0.738 7.525 -7.683 449 HA ASN 55 HA ASN 55 0.077 9.116 -5.330 450 HB2 ASN 55 2HB ASN 55 0.567 11.118 -6.776 451 HB3 ASN 55 3HB ASN 55 1.968 10.083 -6.590 452 HD21 ASN 55 1HD2 ASN 55 0.971 12.001 -8.703 453 HD22 ASN 55 2HD2 ASN 55 1.097 11.145 -10.204 454 H THR 56 H THR 56 -1.747 7.220 -6.579 455 HA THR 56 HA THR 56 -3.653 9.075 -7.848 456 HB THR 56 HB THR 56 -4.423 6.694 -8.851 457 HG1 THR 56 1HG THR 56 -1.522 6.555 -8.448 458 HG21 THR 56 1HG2 THR 56 -2.502 8.749 -9.759 459 HG22 THR 56 2HG2 THR 56 -2.143 7.142 -10.436 460 HG23 THR 56 3HG2 THR 56 -3.742 7.880 -10.694 461 H ASP 57 H ASP 57 -5.983 8.316 -7.594 462 HA ASP 57 HA ASP 57 -6.342 7.897 -4.802 463 HB2 ASP 57 2HB ASP 57 -8.446 8.765 -5.150 464 HB3 ASP 57 3HB ASP 57 -7.711 9.337 -6.635 465 HD2 ASP 57 HD ASP 57 -10.000 7.771 -8.535 466 H ARG 58 H ARG 58 -7.297 6.008 -3.834 467 HA ARG 58 HA ARG 58 -7.540 3.856 -3.621 468 HB2 ARG 58 2HB ARG 58 -9.462 4.701 -5.757 469 HB3 ARG 58 3HB ARG 58 -9.241 2.970 -5.600 470 HG2 ARG 58 2HG ARG 58 -10.480 2.914 -3.699 471 HG3 ARG 58 3HG ARG 58 -9.483 4.145 -2.950 472 HD2 ARG 58 2HD ARG 58 -11.501 5.300 -3.024 473 HD3 ARG 58 3HD ARG 58 -10.851 5.784 -4.576 474 HE ARG 58 HE ARG 58 -12.238 3.363 -5.026 475 HH11 ARG 58 1HH1 ARG 58 -15.410 4.690 -5.624 476 HH12 ARG 58 2HH1 ARG 58 -14.380 3.313 -5.822 477 HH21 ARG 58 1HH2 ARG 58 -14.616 6.587 -4.547 478 HH22 ARG 58 2HH2 ARG 58 -12.993 6.626 -3.944 479 H CYS 59 H CYS 59 -5.146 4.454 -5.048 480 HA CYS 59 HA CYS 59 -4.992 2.894 -7.409 481 HB2 CYS 59 2HB CYS 59 -2.640 3.370 -7.363 482 HB3 CYS 59 3HB CYS 59 -3.553 4.829 -7.034 483 H ASN 60 H ASN 60 -3.958 2.536 -3.949 484 HA ASN 60 HA ASN 60 -3.379 -0.250 -4.522 485 HB2 ASN 60 2HB ASN 60 -2.084 -0.253 -2.476 486 HB3 ASN 60 3HB ASN 60 -1.689 1.248 -3.292 487 HD21 ASN 60 1HD2 ASN 60 -3.807 -0.195 -0.852 488 HD22 ASN 60 2HD2 ASN 60 -3.981 1.202 0.158 Start of MODEL 8 1 H1 LEU 1 H LEU 1 -4.884 13.383 -0.584 2 HA LEU 1 HA LEU 1 -5.562 11.618 -2.826 3 HB2 LEU 1 2HB LEU 1 -3.168 12.538 -2.329 4 HB3 LEU 1 3HB LEU 1 -3.145 11.306 -1.083 5 HG LEU 1 HG LEU 1 -3.929 9.765 -3.134 6 HD11 LEU 1 1HD1 LEU 1 -2.519 12.114 -4.394 7 HD12 LEU 1 2HD1 LEU 1 -2.479 10.489 -5.122 8 HD13 LEU 1 3HD1 LEU 1 -4.036 11.318 -4.880 9 HD21 LEU 1 1HD2 LEU 1 -1.108 9.962 -3.430 10 HD22 LEU 1 2HD2 LEU 1 -1.501 10.279 -1.723 11 HD23 LEU 1 3HD2 LEU 1 -2.052 8.775 -2.498 12 H LYS 2 H LYS 2 -6.433 9.607 -2.457 13 HA LYS 2 HA LYS 2 -6.724 8.857 0.367 14 HB2 LYS 2 2HB LYS 2 -8.791 8.713 -1.845 15 HB3 LYS 2 3HB LYS 2 -8.956 7.903 -0.300 16 HG2 LYS 2 2HG LYS 2 -9.627 9.822 0.707 17 HG3 LYS 2 3HG LYS 2 -8.188 10.666 0.166 18 HD2 LYS 2 2HD LYS 2 -9.343 11.756 -1.459 19 HD3 LYS 2 3HD LYS 2 -10.001 10.257 -2.086 20 HE2 LYS 2 2HE LYS 2 -11.975 11.268 -1.385 21 HE3 LYS 2 3HE LYS 2 -11.564 10.406 0.085 22 HZ1 LYS 2 1HZ LYS 2 -10.738 13.175 -0.434 23 HZ2 LYS 2 2HZ LYS 2 -12.089 12.776 0.391 24 HZ3 LYS 2 3HZ LYS 2 -10.623 12.361 0.978 25 H CYS 3 H CYS 3 -6.658 6.586 0.826 26 HA CYS 3 HA CYS 3 -5.718 4.980 -1.432 27 HB2 CYS 3 2HB CYS 3 -4.571 4.767 1.347 28 HB3 CYS 3 3HB CYS 3 -4.019 3.963 -0.108 29 H ASN 4 H ASN 4 -6.294 2.692 -1.250 30 HA ASN 4 HA ASN 4 -8.739 2.353 0.128 31 HB2 ASN 4 2HB ASN 4 -7.748 1.274 -2.145 32 HB3 ASN 4 3HB ASN 4 -7.207 0.021 -1.045 33 HD21 ASN 4 1HD2 ASN 4 -9.660 1.027 -2.998 34 HD22 ASN 4 2HD2 ASN 4 -10.992 0.125 -2.355 35 H LYS 5 H LYS 5 -9.067 0.291 1.560 36 HA LYS 5 HA LYS 5 -6.847 0.168 3.441 37 HB2 LYS 5 2HB LYS 5 -9.746 -0.690 3.680 38 HB3 LYS 5 3HB LYS 5 -8.546 -0.852 4.948 39 HG2 LYS 5 2HG LYS 5 -8.617 1.870 3.795 40 HG3 LYS 5 3HG LYS 5 -10.155 1.394 4.485 41 HD2 LYS 5 2HD LYS 5 -7.481 1.188 5.946 42 HD3 LYS 5 3HD LYS 5 -8.607 2.516 6.138 43 HE2 LYS 5 2HE LYS 5 -9.710 1.323 7.717 44 HE3 LYS 5 3HE LYS 5 -10.160 0.152 6.492 45 HZ1 LYS 5 1HZ LYS 5 -8.497 -1.221 7.099 46 HZ2 LYS 5 2HZ LYS 5 -7.481 -0.033 7.568 47 HZ3 LYS 5 3HZ LYS 5 -8.707 -0.491 8.544 48 H LEU 6 H LEU 6 -7.326 -2.336 4.616 49 HA LEU 6 HA LEU 6 -5.877 -3.989 2.899 50 HB2 LEU 6 2HB LEU 6 -6.284 -3.937 5.513 51 HB3 LEU 6 3HB LEU 6 -7.524 -5.111 5.120 52 HG LEU 6 HG LEU 6 -4.600 -5.386 4.370 53 HD11 LEU 6 1HD1 LEU 6 -5.699 -7.254 6.348 54 HD12 LEU 6 2HD1 LEU 6 -4.152 -6.372 6.326 55 HD13 LEU 6 3HD1 LEU 6 -5.629 -5.566 6.910 56 HD21 LEU 6 1HD2 LEU 6 -6.888 -7.368 4.203 57 HD22 LEU 6 2HD2 LEU 6 -6.078 -6.566 2.835 58 HD23 LEU 6 3HD2 LEU 6 -5.178 -7.714 3.854 59 H ILE 7 H ILE 7 -9.395 -3.724 3.617 60 HA ILE 7 HA ILE 7 -9.881 -5.804 1.624 61 HB ILE 7 HB ILE 7 -11.546 -4.573 3.807 62 HG12 ILE 7 2HG1 ILE 7 -9.817 -6.584 4.013 63 HG13 ILE 7 3HG1 ILE 7 -11.320 -6.542 4.912 64 HG21 ILE 7 1HG2 ILE 7 -13.010 -4.714 1.892 65 HG22 ILE 7 2HG2 ILE 7 -12.486 -6.384 1.567 66 HG23 ILE 7 3HG2 ILE 7 -13.410 -6.012 3.042 67 HD11 ILE 7 1HD1 ILE 7 -10.756 -8.726 3.629 68 HD12 ILE 7 2HD1 ILE 7 -12.398 -8.068 3.431 69 HD13 ILE 7 3HD1 ILE 7 -11.181 -7.819 2.157 70 HA PRO 8 HA PRO 8 -10.442 -2.642 -1.350 71 HB2 PRO 8 2HB PRO 8 -11.664 -4.229 -3.267 72 HB3 PRO 8 3HB PRO 8 -9.957 -4.120 -3.024 73 HG2 PRO 8 2HG PRO 8 -11.902 -6.220 -1.968 74 HG3 PRO 8 3HG PRO 8 -10.283 -6.438 -2.627 75 HD2 PRO 8 2HD PRO 8 -10.648 -6.482 0.059 76 HD3 PRO 8 3HD PRO 8 -9.199 -5.831 -0.644 77 H LEU 9 H LEU 9 -12.061 -1.567 0.242 78 HA LEU 9 HA LEU 9 -14.269 -0.768 -1.254 79 HB2 LEU 9 2HB LEU 9 -16.074 -1.875 -0.454 80 HB3 LEU 9 3HB LEU 9 -14.894 -3.171 -0.456 81 HG LEU 9 HG LEU 9 -14.513 -2.339 2.055 82 HD11 LEU 9 1HD1 LEU 9 -17.428 -1.973 2.146 83 HD12 LEU 9 2HD1 LEU 9 -16.129 -1.128 3.021 84 HD13 LEU 9 3HD1 LEU 9 -16.546 -0.643 1.361 85 HD21 LEU 9 1HD2 LEU 9 -16.750 -4.150 1.105 86 HD22 LEU 9 2HD2 LEU 9 -15.065 -4.607 1.453 87 HD23 LEU 9 3HD2 LEU 9 -16.133 -4.076 2.773 88 H ALA 10 H ALA 10 -12.617 -1.192 1.877 89 HA ALA 10 HA ALA 10 -13.794 1.303 2.827 90 HB1 ALA 10 1HB ALA 10 -12.748 -1.152 4.014 91 HB2 ALA 10 2HB ALA 10 -12.014 0.295 4.745 92 HB3 ALA 10 3HB ALA 10 -13.783 0.104 4.733 93 H TYR 11 H TYR 11 -12.748 3.203 2.532 94 HA TYR 11 HA TYR 11 -9.832 3.065 2.162 95 HB2 TYR 11 2HB TYR 11 -10.229 4.954 0.527 96 HB3 TYR 11 3HB TYR 11 -11.112 3.521 0.043 97 HD1 TYR 11 1HD TYR 11 -11.365 6.981 1.112 98 HD2 TYR 11 2HD TYR 11 -13.590 3.388 0.443 99 HE1 TYR 11 1HE TYR 11 -13.527 8.319 1.073 100 HE2 TYR 11 2HE TYR 11 -15.744 4.738 0.407 101 HH TYR 11 HH TYR 11 -16.514 6.886 0.074 102 H LYS 12 H LYS 12 -8.758 5.254 2.587 103 HA LYS 12 HA LYS 12 -10.231 6.997 4.344 104 HB2 LYS 12 2HB LYS 12 -8.759 6.720 6.259 105 HB3 LYS 12 3HB LYS 12 -9.580 5.217 5.892 106 HG2 LYS 12 2HG LYS 12 -7.585 4.167 5.683 107 HG3 LYS 12 3HG LYS 12 -7.155 5.226 4.355 108 HD2 LYS 12 2HD LYS 12 -6.755 6.890 6.543 109 HD3 LYS 12 3HD LYS 12 -6.311 5.329 7.205 110 HE2 LYS 12 2HE LYS 12 -5.209 5.721 4.498 111 HE3 LYS 12 3HE LYS 12 -4.690 6.979 5.599 112 HZ1 LYS 12 1HZ LYS 12 -3.213 5.142 5.731 113 HZ2 LYS 12 2HZ LYS 12 -4.030 5.221 7.144 114 HZ3 LYS 12 3HZ LYS 12 -4.421 4.087 6.036 115 H THR 13 H THR 13 -9.239 9.059 4.540 116 HA THR 13 HA THR 13 -7.532 9.707 2.363 117 HB THR 13 HB THR 13 -8.648 11.212 4.778 118 HG1 THR 13 1HG THR 13 -9.045 11.345 1.877 119 HG21 THR 13 1HG2 THR 13 -7.957 13.281 3.677 120 HG22 THR 13 2HG2 THR 13 -6.498 12.284 3.887 121 HG23 THR 13 3HG2 THR 13 -7.290 12.378 2.296 122 H CYS 14 H CYS 14 -5.387 10.477 2.347 123 HA CYS 14 HA CYS 14 -3.751 9.112 4.235 124 HB2 CYS 14 2HB CYS 14 -2.832 11.109 2.172 125 HB3 CYS 14 3HB CYS 14 -1.907 9.820 2.915 126 HA PRO 15 HA PRO 15 -4.112 12.417 7.191 127 HB2 PRO 15 2HB PRO 15 -1.760 10.939 8.337 128 HB3 PRO 15 3HB PRO 15 -3.165 11.524 9.153 129 HG2 PRO 15 2HG PRO 15 -3.029 8.907 8.563 130 HG3 PRO 15 3HG PRO 15 -4.548 9.749 8.272 131 HD2 PRO 15 2HD PRO 15 -2.449 8.985 6.230 132 HD3 PRO 15 3HD PRO 15 -4.173 8.853 6.113 133 H ALA 16 H ALA 16 -2.456 13.835 8.628 134 HA ALA 16 HA ALA 16 -1.281 15.598 6.806 135 HB1 ALA 16 1HB ALA 16 -2.175 16.145 9.083 136 HB2 ALA 16 2HB ALA 16 -0.769 15.317 9.794 137 HB3 ALA 16 3HB ALA 16 -0.535 16.774 8.800 138 H GLY 17 H GLY 17 0.588 15.418 5.684 139 HA2 GLY 17 1HA GLY 17 2.931 15.193 5.658 140 HA3 GLY 17 2HA GLY 17 2.842 14.030 6.965 141 H LYS 18 H LYS 18 0.462 12.621 5.696 142 HA LYS 18 HA LYS 18 2.045 11.102 3.765 143 HB2 LYS 18 2HB LYS 18 -0.232 10.424 5.611 144 HB3 LYS 18 3HB LYS 18 0.079 9.432 4.201 145 HG2 LYS 18 2HG LYS 18 2.327 8.915 4.935 146 HG3 LYS 18 3HG LYS 18 2.288 10.157 6.171 147 HD2 LYS 18 2HD LYS 18 0.040 8.477 6.691 148 HD3 LYS 18 3HD LYS 18 1.366 7.393 6.321 149 HE2 LYS 18 2HE LYS 18 2.127 9.644 8.108 150 HE3 LYS 18 3HE LYS 18 0.917 8.579 8.794 151 HZ1 LYS 18 1HZ LYS 18 2.495 7.114 9.157 152 HZ2 LYS 18 2HZ LYS 18 2.862 7.021 7.569 153 HZ3 LYS 18 3HZ LYS 18 3.625 8.107 8.521 154 H ASN 19 H ASN 19 1.794 11.876 1.725 155 HA ASN 19 HA ASN 19 -0.965 12.381 0.928 156 HB2 ASN 19 2HB ASN 19 -0.218 14.192 -0.503 157 HB3 ASN 19 3HB ASN 19 0.527 14.464 1.059 158 HD21 ASN 19 1HD2 ASN 19 1.327 15.321 -1.617 159 HD22 ASN 19 2HD2 ASN 19 2.941 14.749 -1.882 160 H LEU 20 H LEU 20 1.115 10.022 0.843 161 HA LEU 20 HA LEU 20 0.844 9.540 -2.037 162 HB2 LEU 20 2HB LEU 20 3.258 9.088 -0.290 163 HB3 LEU 20 3HB LEU 20 3.033 8.269 -1.823 164 HG LEU 20 HG LEU 20 3.112 11.281 -1.500 165 HD11 LEU 20 1HD1 LEU 20 5.252 10.054 -0.896 166 HD12 LEU 20 2HD1 LEU 20 5.329 9.549 -2.600 167 HD13 LEU 20 3HD1 LEU 20 5.371 11.278 -2.183 168 HD21 LEU 20 1HD2 LEU 20 3.449 11.262 -3.958 169 HD22 LEU 20 2HD2 LEU 20 3.153 9.507 -3.956 170 HD23 LEU 20 3HD2 LEU 20 1.863 10.628 -3.456 171 H CYS 21 H CYS 21 0.665 7.239 -2.607 172 HA CYS 21 HA CYS 21 -0.549 5.777 -0.386 173 HB2 CYS 21 2HB CYS 21 -1.001 5.709 -3.361 174 HB3 CYS 21 3HB CYS 21 -1.517 4.390 -2.330 175 H TYR 22 H TYR 22 -0.001 3.476 -0.160 176 HA TYR 22 HA TYR 22 2.245 2.531 -1.746 177 HB2 TYR 22 2HB TYR 22 3.694 2.440 0.140 178 HB3 TYR 22 3HB TYR 22 2.786 3.884 0.538 179 HD1 TYR 22 1HD TYR 22 1.598 4.021 2.562 180 HD2 TYR 22 2HD TYR 22 2.843 0.191 1.118 181 HE1 TYR 22 1HE TYR 22 0.870 2.951 4.750 182 HE2 TYR 22 2HE TYR 22 2.112 -0.865 3.311 183 HH TYR 22 HH TYR 22 1.799 -0.158 5.631 184 H LYS 23 H LYS 23 2.719 0.181 -1.266 185 HA LYS 23 HA LYS 23 0.578 -1.207 0.101 186 HB2 LYS 23 2HB LYS 23 -0.051 -2.567 -1.789 187 HB3 LYS 23 3HB LYS 23 -0.298 -0.878 -2.184 188 HG2 LYS 23 2HG LYS 23 1.888 -0.834 -3.396 189 HG3 LYS 23 3HG LYS 23 2.152 -2.518 -2.989 190 HD2 LYS 23 2HD LYS 23 1.263 -2.480 -5.235 191 HD3 LYS 23 3HD LYS 23 -0.014 -3.085 -4.199 192 HE2 LYS 23 2HE LYS 23 -1.132 -0.911 -4.177 193 HE3 LYS 23 3HE LYS 23 0.226 -0.141 -4.971 194 HZ1 LYS 23 1HZ LYS 23 -0.223 -1.311 -6.931 195 HZ2 LYS 23 2HZ LYS 23 -1.270 -2.338 -6.211 196 HZ3 LYS 23 3HZ LYS 23 -1.676 -0.769 -6.418 197 H MET 24 H MET 24 1.321 -3.047 1.095 198 HA MET 24 HA MET 24 4.120 -3.633 0.574 199 HB2 MET 24 2HB MET 24 2.285 -3.711 2.948 200 HB3 MET 24 3HB MET 24 3.434 -5.033 2.871 201 HG2 MET 24 2HG MET 24 5.289 -3.311 2.555 202 HG3 MET 24 3HG MET 24 4.102 -2.050 2.821 203 HE1 MET 24 1HE MET 24 3.606 -1.112 5.115 204 HE2 MET 24 2HE MET 24 4.780 -1.516 6.390 205 HE3 MET 24 3HE MET 24 5.352 -1.053 4.770 206 H PHE 25 H PHE 25 4.559 -5.395 -0.673 207 HA PHE 25 HA PHE 25 2.592 -7.574 -0.605 208 HB2 PHE 25 2HB PHE 25 4.378 -6.295 -2.725 209 HB3 PHE 25 3HB PHE 25 3.912 -7.971 -2.929 210 HD1 PHE 25 1HD PHE 25 1.959 -5.054 -1.664 211 HD2 PHE 25 2HD PHE 25 2.379 -8.029 -4.660 212 HE1 PHE 25 1HE PHE 25 -0.212 -4.325 -2.692 213 HE2 PHE 25 2HE PHE 25 0.208 -7.300 -5.689 214 HZ PHE 25 HZ PHE 25 -1.061 -5.457 -4.693 215 H MET 26 H MET 26 3.360 -9.739 -0.505 216 HA MET 26 HA MET 26 6.168 -9.884 0.280 217 HB2 MET 26 2HB MET 26 3.755 -11.621 1.052 218 HB3 MET 26 3HB MET 26 5.398 -11.954 1.566 219 HG2 MET 26 2HG MET 26 5.070 -9.259 2.264 220 HG3 MET 26 3HG MET 26 3.485 -9.936 2.583 221 HE1 MET 26 1HE MET 26 5.461 -8.604 4.328 222 HE2 MET 26 2HE MET 26 5.743 -9.551 5.808 223 HE3 MET 26 3HE MET 26 6.979 -9.510 4.528 224 H VAL 27 H VAL 27 7.493 -11.546 -0.583 225 HA VAL 27 HA VAL 27 7.085 -12.299 -3.162 226 HB VAL 27 HB VAL 27 9.106 -12.461 -1.469 227 HG11 VAL 27 1HG1 VAL 27 8.418 -15.392 -1.666 228 HG12 VAL 27 2HG1 VAL 27 9.612 -14.583 -0.623 229 HG13 VAL 27 3HG1 VAL 27 7.873 -14.408 -0.288 230 HG21 VAL 27 1HG2 VAL 27 9.960 -14.375 -3.195 231 HG22 VAL 27 2HG2 VAL 27 8.537 -13.762 -4.071 232 HG23 VAL 27 3HG2 VAL 27 9.842 -12.646 -3.602 233 H SER 28 H SER 28 5.966 -13.895 -0.156 234 HA SER 28 HA SER 28 5.311 -16.328 -1.000 235 HB2 SER 28 2HB SER 28 4.874 -15.549 1.276 236 HB3 SER 28 3HB SER 28 3.644 -14.436 0.712 237 HG SER 28 HG SER 28 2.241 -16.025 0.951 238 H ASN 29 H ASN 29 3.694 -13.251 -1.848 239 HA ASN 29 HA ASN 29 2.511 -14.497 -4.088 240 HB2 ASN 29 2HB ASN 29 0.890 -14.997 -2.121 241 HB3 ASN 29 3HB ASN 29 0.583 -13.273 -2.056 242 HD21 ASN 29 1HD2 ASN 29 -0.870 -15.872 -2.929 243 HD22 ASN 29 2HD2 ASN 29 -1.657 -15.441 -4.410 244 H LYS 30 H LYS 30 3.648 -12.802 -5.225 245 HA LYS 30 HA LYS 30 3.441 -10.091 -4.396 246 HB2 LYS 30 2HB LYS 30 4.980 -11.642 -6.245 247 HB3 LYS 30 3HB LYS 30 4.258 -10.309 -7.125 248 HG2 LYS 30 2HG LYS 30 5.090 -8.733 -5.321 249 HG3 LYS 30 3HG LYS 30 5.904 -10.086 -4.561 250 HD2 LYS 30 2HD LYS 30 6.427 -9.587 -7.492 251 HD3 LYS 30 3HD LYS 30 7.164 -8.501 -6.330 252 HE2 LYS 30 2HE LYS 30 8.259 -10.382 -5.179 253 HE3 LYS 30 3HE LYS 30 7.412 -11.543 -6.182 254 HZ1 LYS 30 1HZ LYS 30 8.764 -9.654 -7.769 255 HZ2 LYS 30 2HZ LYS 30 9.804 -10.359 -6.726 256 HZ3 LYS 30 3HZ LYS 30 8.921 -11.279 -7.747 257 H THR 31 H THR 31 1.185 -12.199 -5.699 258 HA THR 31 HA THR 31 -0.093 -10.113 -7.318 259 HB THR 31 HB THR 31 -0.615 -13.120 -7.025 260 HG1 THR 31 1HG THR 31 0.337 -12.864 -9.293 261 HG21 THR 31 1HG2 THR 31 -1.521 -12.128 -9.516 262 HG22 THR 31 2HG2 THR 31 -2.548 -12.672 -8.167 263 HG23 THR 31 3HG2 THR 31 -2.120 -10.951 -8.323 264 H VAL 32 H VAL 32 0.035 -11.102 -4.129 265 HA VAL 32 HA VAL 32 -2.642 -10.010 -3.704 266 HB VAL 32 HB VAL 32 -1.545 -12.570 -2.530 267 HG11 VAL 32 1HG1 VAL 32 -3.272 -12.638 -0.974 268 HG12 VAL 32 2HG1 VAL 32 -2.809 -10.920 -0.949 269 HG13 VAL 32 3HG1 VAL 32 -4.252 -11.439 -1.851 270 HG21 VAL 32 1HG2 VAL 32 -4.185 -12.222 -3.949 271 HG22 VAL 32 2HG2 VAL 32 -2.681 -12.501 -4.860 272 HG23 VAL 32 3HG2 VAL 32 -3.240 -13.705 -3.673 273 HA PRO 33 HA PRO 33 -0.092 -7.561 -1.113 274 HB2 PRO 33 2HB PRO 33 -2.044 -5.939 -0.088 275 HB3 PRO 33 3HB PRO 33 -1.399 -5.760 -1.679 276 HG2 PRO 33 2HG PRO 33 -3.987 -7.117 -0.814 277 HG3 PRO 33 3HG PRO 33 -3.685 -6.089 -2.213 278 HD2 PRO 33 2HD PRO 33 -3.767 -8.824 -2.438 279 HD3 PRO 33 3HD PRO 33 -2.848 -7.817 -3.514 280 H VAL 34 H VAL 34 0.482 -6.964 1.068 281 HA VAL 34 HA VAL 34 -0.697 -8.811 3.026 282 HB VAL 34 HB VAL 34 1.788 -8.937 2.194 283 HG11 VAL 34 1HG1 VAL 34 2.434 -7.187 4.501 284 HG12 VAL 34 2HG1 VAL 34 3.302 -7.438 2.968 285 HG13 VAL 34 3HG1 VAL 34 1.888 -6.358 3.023 286 HG21 VAL 34 1HG2 VAL 34 2.024 -10.352 3.916 287 HG22 VAL 34 2HG2 VAL 34 1.868 -9.047 5.116 288 HG23 VAL 34 3HG2 VAL 34 0.411 -9.813 4.440 289 H LYS 35 H LYS 35 0.147 -5.477 2.178 290 HA LYS 35 HA LYS 35 -1.513 -4.544 4.319 291 HB2 LYS 35 2HB LYS 35 1.425 -4.507 4.568 292 HB3 LYS 35 3HB LYS 35 0.663 -2.953 4.836 293 HG2 LYS 35 2HG LYS 35 -0.320 -3.627 6.792 294 HG3 LYS 35 3HG LYS 35 -0.785 -5.185 6.139 295 HD2 LYS 35 2HD LYS 35 2.002 -5.387 6.276 296 HD3 LYS 35 3HD LYS 35 1.617 -4.442 7.701 297 HE2 LYS 35 2HE LYS 35 0.505 -6.186 8.732 298 HE3 LYS 35 3HE LYS 35 -0.178 -6.782 7.233 299 HZ1 LYS 35 1HZ LYS 35 1.369 -8.357 7.747 300 HZ2 LYS 35 2HZ LYS 35 2.245 -7.415 6.741 301 HZ3 LYS 35 3HZ LYS 35 2.456 -7.300 8.356 302 H ARG 36 H ARG 36 -2.066 -2.263 4.047 303 HA ARG 36 HA ARG 36 -1.031 -1.026 1.682 304 HB2 ARG 36 2HB ARG 36 -3.774 -2.214 1.862 305 HB3 ARG 36 3HB ARG 36 -3.713 -0.589 1.211 306 HG2 ARG 36 2HG ARG 36 -3.210 -1.574 -0.781 307 HG3 ARG 36 3HG ARG 36 -1.601 -1.806 -0.125 308 HD2 ARG 36 2HD ARG 36 -2.147 -3.999 -0.751 309 HD3 ARG 36 3HD ARG 36 -2.626 -4.008 0.936 310 HE ARG 36 HE ARG 36 -4.904 -4.052 0.292 311 HH11 ARG 36 1HH1 ARG 36 -6.250 -4.303 -2.918 312 HH12 ARG 36 2HH1 ARG 36 -6.578 -4.414 -1.220 313 HH21 ARG 36 1HH2 ARG 36 -4.110 -3.789 -3.655 314 HH22 ARG 36 2HH2 ARG 36 -2.842 -3.516 -2.508 315 H GLY 37 H GLY 37 -1.277 1.280 1.751 316 HA2 GLY 37 1HA GLY 37 -3.092 2.677 3.338 317 HA3 GLY 37 2HA GLY 37 -1.659 2.413 4.310 318 H CYS 38 H CYS 38 -1.640 4.889 4.152 319 HA CYS 38 HA CYS 38 -0.487 5.741 1.606 320 HB2 CYS 38 2HB CYS 38 -1.741 7.331 3.849 321 HB3 CYS 38 3HB CYS 38 -0.936 8.051 2.470 322 H ILE 39 H ILE 39 1.415 7.287 1.801 323 HA ILE 39 HA ILE 39 2.853 7.096 4.313 324 HB ILE 39 HB ILE 39 3.358 5.101 2.728 325 HG12 ILE 39 2HG1 ILE 39 5.709 6.675 3.798 326 HG13 ILE 39 3HG1 ILE 39 4.564 5.861 4.845 327 HG21 ILE 39 1HG2 ILE 39 4.933 5.426 1.008 328 HG22 ILE 39 2HG2 ILE 39 3.687 6.670 0.751 329 HG23 ILE 39 3HG2 ILE 39 5.243 7.110 1.492 330 HD11 ILE 39 1HD1 ILE 39 6.645 4.704 3.048 331 HD12 ILE 39 2HD1 ILE 39 6.010 4.094 4.596 332 HD13 ILE 39 3HD1 ILE 39 5.094 3.831 3.092 333 H ASP 40 H ASP 40 4.723 8.616 4.366 334 HA ASP 40 HA ASP 40 3.957 10.990 2.987 335 HB2 ASP 40 2HB ASP 40 6.005 11.913 4.279 336 HB3 ASP 40 3HB ASP 40 4.643 11.355 5.228 337 HD2 ASP 40 HD ASP 40 8.166 9.686 5.750 338 H ALA 41 H ALA 41 6.772 8.709 3.171 339 HA ALA 41 HA ALA 41 7.741 9.866 0.647 340 HB1 ALA 41 1HB ALA 41 9.911 8.640 1.955 341 HB2 ALA 41 2HB ALA 41 9.622 10.386 1.767 342 HB3 ALA 41 3HB ALA 41 9.054 9.542 3.228 343 H CYS 42 H CYS 42 8.511 8.370 -0.922 344 HA CYS 42 HA CYS 42 7.210 5.870 -0.818 345 HB2 CYS 42 2HB CYS 42 7.507 7.076 -2.898 346 HB3 CYS 42 3HB CYS 42 9.252 6.982 -2.752 347 HA PRO 43 HA PRO 43 10.452 4.002 1.567 348 HB2 PRO 43 2HB PRO 43 9.377 1.474 1.668 349 HB3 PRO 43 3HB PRO 43 8.869 2.776 2.683 350 HG2 PRO 43 2HG PRO 43 7.583 1.745 0.118 351 HG3 PRO 43 3HG PRO 43 6.814 2.279 1.610 352 HD2 PRO 43 2HD PRO 43 6.948 3.930 -0.568 353 HD3 PRO 43 3HD PRO 43 6.923 4.537 1.060 354 H LYS 44 H LYS 44 11.648 1.665 1.613 355 HA LYS 44 HA LYS 44 12.881 1.507 -1.034 356 HB2 LYS 44 2HB LYS 44 13.850 0.993 1.767 357 HB3 LYS 44 3HB LYS 44 14.657 0.235 0.410 358 HG2 LYS 44 2HG LYS 44 15.429 2.261 -0.456 359 HG3 LYS 44 3HG LYS 44 14.074 3.176 0.173 360 HD2 LYS 44 2HD LYS 44 15.103 3.577 2.188 361 HD3 LYS 44 3HD LYS 44 15.765 1.957 2.290 362 HE2 LYS 44 2HE LYS 44 17.702 2.515 1.095 363 HE3 LYS 44 3HE LYS 44 16.913 3.788 0.190 364 HZ1 LYS 44 1HZ LYS 44 16.895 4.369 2.941 365 HZ2 LYS 44 2HZ LYS 44 18.422 4.082 2.439 366 HZ3 LYS 44 3HZ LYS 44 17.527 5.238 1.711 367 H ASN 45 H ASN 45 12.903 -0.379 -2.225 368 HA ASN 45 HA ASN 45 10.956 -2.284 -1.489 369 HB2 ASN 45 2HB ASN 45 11.562 -3.370 -3.634 370 HB3 ASN 45 3HB ASN 45 11.417 -1.640 -3.867 371 HD21 ASN 45 1HD2 ASN 45 12.974 -0.670 -4.909 372 HD22 ASN 45 2HD2 ASN 45 14.610 -1.208 -5.097 373 H SER 46 H SER 46 11.397 -4.636 -1.162 374 HA SER 46 HA SER 46 14.130 -5.096 -0.247 375 HB2 SER 46 2HB SER 46 11.576 -6.315 0.893 376 HB3 SER 46 3HB SER 46 13.203 -6.610 1.477 377 HG SER 46 HG SER 46 13.226 -4.711 2.509 378 H LEU 47 H LEU 47 14.436 -7.700 -0.041 379 HA LEU 47 HA LEU 47 14.066 -8.659 -2.702 380 HB2 LEU 47 2HB LEU 47 16.094 -9.263 -1.851 381 HB3 LEU 47 3HB LEU 47 15.475 -9.541 -0.235 382 HG LEU 47 HG LEU 47 14.284 -11.467 -1.995 383 HD11 LEU 47 1HD1 LEU 47 17.155 -12.077 -2.057 384 HD12 LEU 47 2HD1 LEU 47 15.901 -12.291 -3.302 385 HD13 LEU 47 3HD1 LEU 47 16.680 -10.705 -3.087 386 HD21 LEU 47 1HD2 LEU 47 14.611 -11.669 0.447 387 HD22 LEU 47 2HD2 LEU 47 15.254 -13.060 -0.458 388 HD23 LEU 47 3HD2 LEU 47 16.364 -11.822 0.179 389 H LEU 48 H LEU 48 12.950 -9.752 0.579 390 HA LEU 48 HA LEU 48 11.135 -11.614 -0.617 391 HB2 LEU 48 2HB LEU 48 11.979 -10.830 2.120 392 HB3 LEU 48 3HB LEU 48 10.390 -11.550 1.952 393 HG LEU 48 HG LEU 48 12.624 -12.971 0.599 394 HD11 LEU 48 1HD1 LEU 48 12.325 -13.097 3.610 395 HD12 LEU 48 2HD1 LEU 48 13.481 -13.991 2.593 396 HD13 LEU 48 3HD1 LEU 48 13.622 -12.224 2.758 397 HD21 LEU 48 1HD2 LEU 48 11.175 -14.658 0.612 398 HD22 LEU 48 2HD2 LEU 48 10.892 -14.500 2.362 399 HD23 LEU 48 3HD2 LEU 48 9.963 -13.503 1.216 400 H VAL 49 H VAL 49 10.883 -8.462 1.152 401 HA VAL 49 HA VAL 49 8.065 -8.362 0.415 402 HB VAL 49 HB VAL 49 9.754 -6.576 2.179 403 HG11 VAL 49 1HG1 VAL 49 6.787 -6.629 1.576 404 HG12 VAL 49 2HG1 VAL 49 7.465 -5.843 3.021 405 HG13 VAL 49 3HG1 VAL 49 7.929 -5.275 1.400 406 HG21 VAL 49 1HG2 VAL 49 8.206 -7.727 3.957 407 HG22 VAL 49 2HG2 VAL 49 8.073 -9.008 2.728 408 HG23 VAL 49 3HG2 VAL 49 9.668 -8.558 3.376 409 H LYS 50 H LYS 50 7.177 -6.484 -0.696 410 HA LYS 50 HA LYS 50 9.143 -4.832 -2.065 411 HB2 LYS 50 2HB LYS 50 8.877 -6.678 -3.594 412 HB3 LYS 50 3HB LYS 50 7.130 -6.606 -3.473 413 HG2 LYS 50 2HG LYS 50 7.376 -5.362 -5.406 414 HG3 LYS 50 3HG LYS 50 7.540 -4.057 -4.249 415 HD2 LYS 50 2HD LYS 50 9.862 -3.897 -4.532 416 HD3 LYS 50 3HD LYS 50 10.032 -5.579 -4.997 417 HE2 LYS 50 2HE LYS 50 9.696 -5.125 -7.215 418 HE3 LYS 50 3HE LYS 50 8.349 -4.054 -6.889 419 HZ1 LYS 50 1HZ LYS 50 11.200 -3.412 -6.845 420 HZ2 LYS 50 2HZ LYS 50 10.012 -2.703 -7.712 421 HZ3 LYS 50 3HZ LYS 50 10.109 -2.449 -6.102 422 H TYR 51 H TYR 51 8.549 -2.757 -1.772 423 HA TYR 51 HA TYR 51 5.723 -2.253 -1.186 424 HB2 TYR 51 2HB TYR 51 8.258 -0.526 -0.912 425 HB3 TYR 51 3HB TYR 51 6.704 -0.169 -0.187 426 HD1 TYR 51 1HD TYR 51 9.564 -2.548 -0.090 427 HD2 TYR 51 2HD TYR 51 6.105 -1.055 1.937 428 HE1 TYR 51 1HE TYR 51 10.254 -3.792 2.018 429 HE2 TYR 51 2HE TYR 51 6.807 -2.304 4.037 430 HH TYR 51 HH TYR 51 8.652 -4.717 4.166 431 H VAL 52 H VAL 52 4.450 -1.262 -2.670 432 HA VAL 52 HA VAL 52 5.833 0.075 -4.888 433 HB VAL 52 HB VAL 52 3.257 -1.468 -4.687 434 HG11 VAL 52 1HG1 VAL 52 2.269 -0.121 -6.165 435 HG12 VAL 52 2HG1 VAL 52 3.734 0.880 -6.303 436 HG13 VAL 52 3HG1 VAL 52 3.534 -0.552 -7.341 437 HG21 VAL 52 1HG2 VAL 52 4.189 -2.903 -6.289 438 HG22 VAL 52 2HG2 VAL 52 5.406 -1.707 -6.794 439 HG23 VAL 52 3HG2 VAL 52 5.556 -2.519 -5.217 440 H CYS 53 H CYS 53 5.403 2.217 -5.312 441 HA CYS 53 HA CYS 53 3.508 3.466 -3.463 442 HB2 CYS 53 2HB CYS 53 5.578 5.039 -4.929 443 HB3 CYS 53 3HB CYS 53 4.819 5.355 -3.380 444 H CYS 54 H CYS 54 2.178 5.254 -4.385 445 HA CYS 54 HA CYS 54 2.144 5.543 -7.229 446 HB2 CYS 54 2HB CYS 54 -0.437 4.939 -7.117 447 HB3 CYS 54 3HB CYS 54 0.796 3.772 -7.554 448 H ASN 55 H ASN 55 0.620 7.328 -7.836 449 HA ASN 55 HA ASN 55 -0.106 8.889 -5.482 450 HB2 ASN 55 2HB ASN 55 0.382 10.935 -6.857 451 HB3 ASN 55 3HB ASN 55 1.808 9.938 -6.646 452 HD21 ASN 55 1HD2 ASN 55 1.414 11.842 -8.682 453 HD22 ASN 55 2HD2 ASN 55 1.415 11.044 -10.221 454 H THR 56 H THR 56 -1.901 7.031 -6.634 455 HA THR 56 HA THR 56 -3.740 8.796 -8.113 456 HB THR 56 HB THR 56 -4.492 6.353 -8.974 457 HG1 THR 56 1HG THR 56 -2.487 5.064 -9.055 458 HG21 THR 56 1HG2 THR 56 -2.707 8.394 -10.005 459 HG22 THR 56 2HG2 THR 56 -2.032 6.796 -10.402 460 HG23 THR 56 3HG2 THR 56 -3.680 7.221 -10.923 461 H ASP 57 H ASP 57 -6.083 8.072 -7.888 462 HA ASP 57 HA ASP 57 -6.591 7.966 -5.119 463 HB2 ASP 57 2HB ASP 57 -8.813 8.434 -5.704 464 HB3 ASP 57 3HB ASP 57 -7.945 9.093 -7.075 465 HD2 ASP 57 HD ASP 57 -10.174 5.894 -6.984 466 H ARG 58 H ARG 58 -7.132 6.134 -3.878 467 HA ARG 58 HA ARG 58 -7.214 4.024 -3.362 468 HB2 ARG 58 2HB ARG 58 -9.338 4.419 -5.442 469 HB3 ARG 58 3HB ARG 58 -8.976 2.750 -5.046 470 HG2 ARG 58 2HG ARG 58 -10.082 2.909 -3.071 471 HG3 ARG 58 3HG ARG 58 -9.129 4.300 -2.589 472 HD2 ARG 58 2HD ARG 58 -11.255 5.265 -2.666 473 HD3 ARG 58 3HD ARG 58 -10.703 5.611 -4.293 474 HE ARG 58 HE ARG 58 -11.897 3.095 -4.496 475 HH11 ARG 58 1HH1 ARG 58 -15.250 4.011 -4.800 476 HH12 ARG 58 2HH1 ARG 58 -14.081 2.762 -5.074 477 HH21 ARG 58 1HH2 ARG 58 -14.596 6.023 -3.845 478 HH22 ARG 58 2HH2 ARG 58 -12.938 6.275 -3.407 479 H CYS 59 H CYS 59 -4.934 4.484 -4.894 480 HA CYS 59 HA CYS 59 -4.766 2.828 -7.159 481 HB2 CYS 59 2HB CYS 59 -2.466 3.312 -7.172 482 HB3 CYS 59 3HB CYS 59 -3.282 4.769 -6.644 483 H ASN 60 H ASN 60 -3.774 2.497 -3.680 484 HA ASN 60 HA ASN 60 -3.227 -0.296 -4.187 485 HB2 ASN 60 2HB ASN 60 -2.194 -0.281 -1.940 486 HB3 ASN 60 3HB ASN 60 -1.573 1.065 -2.873 487 HD21 ASN 60 1HD2 ASN 60 -4.068 0.142 -0.536 488 HD22 ASN 60 2HD2 ASN 60 -4.173 1.657 0.298 Start of MODEL 9 1 H1 LEU 1 H LEU 1 -5.858 13.107 -0.533 2 HA LEU 1 HA LEU 1 -5.610 11.792 -2.424 3 HB2 LEU 1 2HB LEU 1 -3.029 11.879 -1.889 4 HB3 LEU 1 3HB LEU 1 -3.323 10.276 -1.246 5 HG LEU 1 HG LEU 1 -4.462 10.699 -3.928 6 HD11 LEU 1 1HD1 LEU 1 -2.667 11.958 -4.586 7 HD12 LEU 1 2HD1 LEU 1 -1.564 11.218 -3.401 8 HD13 LEU 1 3HD1 LEU 1 -2.027 10.322 -4.867 9 HD21 LEU 1 1HD2 LEU 1 -3.169 8.520 -4.283 10 HD22 LEU 1 2HD2 LEU 1 -2.817 8.586 -2.539 11 HD23 LEU 1 3HD2 LEU 1 -4.503 8.505 -3.105 12 H LYS 2 H LYS 2 -7.021 10.101 -2.620 13 HA LYS 2 HA LYS 2 -7.750 8.793 -0.128 14 HB2 LYS 2 2HB LYS 2 -9.106 9.065 -2.819 15 HB3 LYS 2 3HB LYS 2 -9.703 7.997 -1.566 16 HG2 LYS 2 2HG LYS 2 -9.782 9.965 0.022 17 HG3 LYS 2 3HG LYS 2 -9.281 11.011 -1.292 18 HD2 LYS 2 2HD LYS 2 -11.333 10.079 -2.596 19 HD3 LYS 2 3HD LYS 2 -11.869 9.422 -1.062 20 HE2 LYS 2 2HE LYS 2 -12.292 11.527 -0.137 21 HE3 LYS 2 3HE LYS 2 -11.057 12.321 -1.093 22 HZ1 LYS 2 1HZ LYS 2 -13.573 12.553 -1.653 23 HZ2 LYS 2 2HZ LYS 2 -12.451 12.533 -2.839 24 HZ3 LYS 2 3HZ LYS 2 -13.313 11.186 -2.509 25 H CYS 3 H CYS 3 -7.215 6.722 0.356 26 HA CYS 3 HA CYS 3 -6.293 5.066 -1.871 27 HB2 CYS 3 2HB CYS 3 -4.866 5.784 0.630 28 HB3 CYS 3 3HB CYS 3 -4.761 4.111 0.119 29 H ASN 4 H ASN 4 -6.725 2.760 -1.549 30 HA ASN 4 HA ASN 4 -9.098 2.341 -0.107 31 HB2 ASN 4 2HB ASN 4 -8.015 1.136 -2.268 32 HB3 ASN 4 3HB ASN 4 -7.372 0.042 -1.058 33 HD21 ASN 4 1HD2 ASN 4 -10.358 1.615 -2.146 34 HD22 ASN 4 2HD2 ASN 4 -11.450 0.333 -1.744 35 H LYS 5 H LYS 5 -9.251 0.344 1.476 36 HA LYS 5 HA LYS 5 -7.062 0.600 3.384 37 HB2 LYS 5 2HB LYS 5 -9.862 -0.521 3.695 38 HB3 LYS 5 3HB LYS 5 -8.672 -0.404 4.976 39 HG2 LYS 5 2HG LYS 5 -9.031 2.149 3.526 40 HG3 LYS 5 3HG LYS 5 -10.515 1.580 4.260 41 HD2 LYS 5 2HD LYS 5 -7.866 1.795 5.761 42 HD3 LYS 5 3HD LYS 5 -9.083 3.055 5.764 43 HE2 LYS 5 2HE LYS 5 -10.220 1.988 7.409 44 HE3 LYS 5 3HE LYS 5 -10.416 0.578 6.387 45 HZ1 LYS 5 1HZ LYS 5 -8.009 0.112 7.083 46 HZ2 LYS 5 2HZ LYS 5 -8.310 1.135 8.319 47 HZ3 LYS 5 3HZ LYS 5 -9.210 -0.215 8.139 48 H LEU 6 H LEU 6 -7.335 -1.827 4.769 49 HA LEU 6 HA LEU 6 -5.767 -3.496 3.138 50 HB2 LEU 6 2HB LEU 6 -5.999 -3.183 5.751 51 HB3 LEU 6 3HB LEU 6 -7.146 -4.497 5.589 52 HG LEU 6 HG LEU 6 -4.327 -4.677 4.514 53 HD11 LEU 6 1HD1 LEU 6 -4.847 -6.118 7.009 54 HD12 LEU 6 2HD1 LEU 6 -3.451 -5.128 6.518 55 HD13 LEU 6 3HD1 LEU 6 -4.904 -4.348 7.188 56 HD21 LEU 6 1HD2 LEU 6 -5.898 -7.039 5.423 57 HD22 LEU 6 2HD2 LEU 6 -6.387 -6.253 3.903 58 HD23 LEU 6 3HD2 LEU 6 -4.730 -6.873 4.090 59 H ILE 7 H ILE 7 -9.238 -3.493 4.096 60 HA ILE 7 HA ILE 7 -9.645 -5.847 2.426 61 HB ILE 7 HB ILE 7 -11.515 -4.389 4.298 62 HG12 ILE 7 2HG1 ILE 7 -9.699 -6.766 4.664 63 HG13 ILE 7 3HG1 ILE 7 -9.845 -5.331 5.659 64 HG21 ILE 7 1HG2 ILE 7 -13.147 -5.919 3.847 65 HG22 ILE 7 2HG2 ILE 7 -12.372 -5.826 2.247 66 HG23 ILE 7 3HG2 ILE 7 -11.994 -7.178 3.343 67 HD11 ILE 7 1HD1 ILE 7 -12.209 -6.035 6.241 68 HD12 ILE 7 2HD1 ILE 7 -11.915 -7.552 5.356 69 HD13 ILE 7 3HD1 ILE 7 -10.957 -7.167 6.806 70 HA PRO 8 HA PRO 8 -10.350 -3.072 -0.944 71 HB2 PRO 8 2HB PRO 8 -11.443 -5.635 -2.077 72 HB3 PRO 8 3HB PRO 8 -10.388 -4.490 -2.826 73 HG2 PRO 8 2HG PRO 8 -9.329 -6.749 -1.825 74 HG3 PRO 8 3HG PRO 8 -8.487 -5.229 -1.534 75 HD2 PRO 8 2HD PRO 8 -10.235 -6.766 0.395 76 HD3 PRO 8 3HD PRO 8 -8.731 -5.954 0.701 77 H LEU 9 H LEU 9 -12.064 -1.934 0.457 78 HA LEU 9 HA LEU 9 -14.349 -1.612 -1.095 79 HB2 LEU 9 2HB LEU 9 -16.027 -2.761 -0.099 80 HB3 LEU 9 3HB LEU 9 -14.716 -3.913 0.075 81 HG LEU 9 HG LEU 9 -15.526 -1.980 2.262 82 HD11 LEU 9 1HD1 LEU 9 -16.646 -3.966 3.306 83 HD12 LEU 9 2HD1 LEU 9 -17.453 -3.328 1.853 84 HD13 LEU 9 3HD1 LEU 9 -16.471 -4.810 1.749 85 HD21 LEU 9 1HD2 LEU 9 -13.657 -2.676 3.235 86 HD22 LEU 9 2HD2 LEU 9 -14.367 -4.307 3.323 87 HD23 LEU 9 3HD2 LEU 9 -13.349 -3.851 1.934 88 H ALA 10 H ALA 10 -12.719 -1.410 2.085 89 HA ALA 10 HA ALA 10 -14.081 1.131 2.572 90 HB1 ALA 10 1HB ALA 10 -14.216 -0.017 4.554 91 HB2 ALA 10 2HB ALA 10 -12.750 -0.972 4.227 92 HB3 ALA 10 3HB ALA 10 -12.608 0.710 4.793 93 H TYR 11 H TYR 11 -13.027 3.079 2.424 94 HA TYR 11 HA TYR 11 -10.130 2.939 1.923 95 HB2 TYR 11 2HB TYR 11 -10.623 4.877 0.348 96 HB3 TYR 11 3HB TYR 11 -11.465 3.419 -0.139 97 HD1 TYR 11 1HD TYR 11 -11.847 6.786 1.299 98 HD2 TYR 11 2HD TYR 11 -13.894 3.249 0.032 99 HE1 TYR 11 1HE TYR 11 -14.058 8.039 1.346 100 HE2 TYR 11 2HE TYR 11 -16.098 4.516 0.083 101 HH TYR 11 HH TYR 11 -16.351 7.691 0.024 102 H LYS 12 H LYS 12 -9.049 5.150 2.286 103 HA LYS 12 HA LYS 12 -10.430 6.856 4.153 104 HB2 LYS 12 2HB LYS 12 -9.729 5.256 5.750 105 HB3 LYS 12 3HB LYS 12 -8.156 5.062 5.006 106 HG2 LYS 12 2HG LYS 12 -7.815 7.607 5.520 107 HG3 LYS 12 3HG LYS 12 -9.198 7.444 6.584 108 HD2 LYS 12 2HD LYS 12 -7.188 7.095 7.911 109 HD3 LYS 12 3HD LYS 12 -8.018 5.558 7.778 110 HE2 LYS 12 2HE LYS 12 -6.105 4.659 6.953 111 HE3 LYS 12 3HE LYS 12 -6.316 5.638 5.516 112 HZ1 LYS 12 1HZ LYS 12 -5.226 7.061 7.741 113 HZ2 LYS 12 2HZ LYS 12 -4.271 5.851 7.203 114 HZ3 LYS 12 3HZ LYS 12 -4.741 7.036 6.182 115 H THR 13 H THR 13 -9.481 8.936 4.277 116 HA THR 13 HA THR 13 -7.878 9.596 2.014 117 HB THR 13 HB THR 13 -9.051 11.087 4.404 118 HG1 THR 13 1HG THR 13 -9.348 11.235 1.491 119 HG21 THR 13 1HG2 THR 13 -8.088 13.088 3.737 120 HG22 THR 13 2HG2 THR 13 -6.784 12.022 3.159 121 HG23 THR 13 3HG2 THR 13 -8.030 12.596 2.026 122 H CYS 14 H CYS 14 -5.762 10.414 1.913 123 HA CYS 14 HA CYS 14 -4.031 9.168 3.794 124 HB2 CYS 14 2HB CYS 14 -3.482 11.009 1.461 125 HB3 CYS 14 3HB CYS 14 -2.235 10.240 2.426 126 HA PRO 15 HA PRO 15 -4.434 12.510 6.702 127 HB2 PRO 15 2HB PRO 15 -1.940 11.188 7.737 128 HB3 PRO 15 3HB PRO 15 -3.320 11.726 8.627 129 HG2 PRO 15 2HG PRO 15 -3.088 9.105 8.084 130 HG3 PRO 15 3HG PRO 15 -4.664 9.864 7.880 131 HD2 PRO 15 2HD PRO 15 -2.676 9.133 5.723 132 HD3 PRO 15 3HD PRO 15 -4.402 8.955 5.715 133 H ALA 16 H ALA 16 -2.812 14.067 8.014 134 HA ALA 16 HA ALA 16 -1.762 15.785 6.037 135 HB1 ALA 16 1HB ALA 16 -2.594 16.876 7.921 136 HB2 ALA 16 2HB ALA 16 -1.877 15.700 9.048 137 HB3 ALA 16 3HB ALA 16 -0.844 16.904 8.241 138 H GLY 17 H GLY 17 0.317 16.077 5.285 139 HA2 GLY 17 1HA GLY 17 2.602 15.886 5.271 140 HA3 GLY 17 2HA GLY 17 2.544 14.841 6.676 141 H LYS 18 H LYS 18 0.246 13.293 5.154 142 HA LYS 18 HA LYS 18 2.126 11.604 3.680 143 HB2 LYS 18 2HB LYS 18 -0.421 11.100 5.187 144 HB3 LYS 18 3HB LYS 18 0.036 10.008 3.896 145 HG2 LYS 18 2HG LYS 18 2.210 9.567 4.961 146 HG3 LYS 18 3HG LYS 18 1.903 10.783 6.185 147 HD2 LYS 18 2HD LYS 18 -0.357 9.114 6.340 148 HD3 LYS 18 3HD LYS 18 0.958 7.993 6.043 149 HE2 LYS 18 2HE LYS 18 2.182 8.760 7.989 150 HE3 LYS 18 3HE LYS 18 1.144 10.159 8.181 151 HZ1 LYS 18 1HZ LYS 18 -0.012 7.484 8.281 152 HZ2 LYS 18 2HZ LYS 18 0.735 8.094 9.598 153 HZ3 LYS 18 3HZ LYS 18 -0.557 8.865 8.963 154 H ASN 19 H ASN 19 2.260 12.276 1.585 155 HA ASN 19 HA ASN 19 -0.300 12.781 0.284 156 HB2 ASN 19 2HB ASN 19 0.836 14.325 -1.213 157 HB3 ASN 19 3HB ASN 19 1.333 14.746 0.414 158 HD21 ASN 19 1HD2 ASN 19 2.769 15.455 -1.840 159 HD22 ASN 19 2HD2 ASN 19 4.300 14.646 -1.857 160 H LEU 20 H LEU 20 1.823 10.384 0.787 161 HA LEU 20 HA LEU 20 1.738 9.477 -2.003 162 HB2 LEU 20 2HB LEU 20 4.025 9.586 -0.100 163 HB3 LEU 20 3HB LEU 20 3.901 8.186 -1.147 164 HG LEU 20 HG LEU 20 3.846 11.015 -2.212 165 HD11 LEU 20 1HD1 LEU 20 6.334 9.352 -2.314 166 HD12 LEU 20 2HD1 LEU 20 6.132 11.119 -2.384 167 HD13 LEU 20 3HD1 LEU 20 5.956 10.264 -0.833 168 HD21 LEU 20 1HD2 LEU 20 3.045 8.894 -3.526 169 HD22 LEU 20 2HD2 LEU 20 4.065 10.119 -4.318 170 HD23 LEU 20 3HD2 LEU 20 4.791 8.606 -3.724 171 H CYS 21 H CYS 21 1.707 7.069 -2.205 172 HA CYS 21 HA CYS 21 0.604 5.835 0.208 173 HB2 CYS 21 2HB CYS 21 -0.613 6.068 -2.494 174 HB3 CYS 21 3HB CYS 21 -0.781 4.525 -1.680 175 H TYR 22 H TYR 22 1.208 3.614 0.471 176 HA TYR 22 HA TYR 22 2.974 2.538 -1.612 177 HB2 TYR 22 2HB TYR 22 4.668 2.227 0.028 178 HB3 TYR 22 3HB TYR 22 3.934 3.692 0.649 179 HD1 TYR 22 1HD TYR 22 3.854 -0.027 0.989 180 HD2 TYR 22 2HD TYR 22 3.014 3.748 2.819 181 HE1 TYR 22 1HE TYR 22 3.373 -1.196 3.194 182 HE2 TYR 22 2HE TYR 22 2.536 2.566 5.019 183 HH TYR 22 HH TYR 22 2.635 0.683 6.105 184 H LYS 23 H LYS 23 3.351 0.128 -1.302 185 HA LYS 23 HA LYS 23 1.277 -1.182 0.244 186 HB2 LYS 23 2HB LYS 23 0.126 -2.148 -1.492 187 HB3 LYS 23 3HB LYS 23 0.473 -0.574 -2.175 188 HG2 LYS 23 2HG LYS 23 2.528 -1.547 -3.280 189 HG3 LYS 23 3HG LYS 23 2.085 -3.124 -2.658 190 HD2 LYS 23 2HD LYS 23 -0.114 -2.961 -3.881 191 HD3 LYS 23 3HD LYS 23 0.389 -1.417 -4.542 192 HE2 LYS 23 2HE LYS 23 2.553 -2.884 -5.270 193 HE3 LYS 23 3HE LYS 23 1.377 -4.181 -5.201 194 HZ1 LYS 23 1HZ LYS 23 -0.007 -2.411 -6.530 195 HZ2 LYS 23 2HZ LYS 23 1.481 -1.912 -6.981 196 HZ3 LYS 23 3HZ LYS 23 1.010 -3.447 -7.276 197 H MET 24 H MET 24 2.020 -3.065 1.131 198 HA MET 24 HA MET 24 4.687 -3.833 0.272 199 HB2 MET 24 2HB MET 24 3.218 -3.682 2.836 200 HB3 MET 24 3HB MET 24 3.985 -5.245 2.634 201 HG2 MET 24 2HG MET 24 6.177 -4.187 2.262 202 HG3 MET 24 3HG MET 24 5.455 -2.591 2.262 203 HE1 MET 24 1HE MET 24 6.519 -5.200 5.829 204 HE2 MET 24 2HE MET 24 5.540 -5.898 4.516 205 HE3 MET 24 3HE MET 24 7.155 -5.237 4.167 206 H PHE 25 H PHE 25 4.763 -5.516 -1.153 207 HA PHE 25 HA PHE 25 2.688 -7.569 -0.879 208 HB2 PHE 25 2HB PHE 25 4.338 -6.355 -3.137 209 HB3 PHE 25 3HB PHE 25 3.752 -7.995 -3.332 210 HD1 PHE 25 1HD PHE 25 2.236 -7.650 -5.108 211 HD2 PHE 25 2HD PHE 25 1.935 -5.272 -1.606 212 HE1 PHE 25 1HE PHE 25 0.024 -6.764 -5.899 213 HE2 PHE 25 2HE PHE 25 -0.277 -4.386 -2.397 214 HZ PHE 25 HZ PHE 25 -1.206 -5.143 -4.534 215 H MET 26 H MET 26 3.268 -9.752 -0.719 216 HA MET 26 HA MET 26 6.086 -10.147 -0.150 217 HB2 MET 26 2HB MET 26 3.630 -11.910 0.396 218 HB3 MET 26 3HB MET 26 5.254 -12.255 0.962 219 HG2 MET 26 2HG MET 26 4.929 -9.679 1.901 220 HG3 MET 26 3HG MET 26 3.277 -10.257 1.973 221 HE1 MET 26 1HE MET 26 5.960 -9.558 3.986 222 HE2 MET 26 2HE MET 26 6.443 -10.965 4.962 223 HE3 MET 26 3HE MET 26 6.982 -10.828 3.272 224 H VAL 27 H VAL 27 7.377 -11.608 -1.293 225 HA VAL 27 HA VAL 27 6.755 -12.163 -3.910 226 HB VAL 27 HB VAL 27 8.963 -12.231 -2.468 227 HG11 VAL 27 1HG1 VAL 27 8.230 -15.175 -2.644 228 HG12 VAL 27 2HG1 VAL 27 9.786 -14.505 -2.098 229 HG13 VAL 27 3HG1 VAL 27 8.309 -14.209 -1.150 230 HG21 VAL 27 1HG2 VAL 27 10.105 -13.131 -4.341 231 HG22 VAL 27 2HG2 VAL 27 8.710 -14.130 -4.813 232 HG23 VAL 27 3HG2 VAL 27 8.639 -12.361 -4.995 233 H SER 28 H SER 28 6.016 -13.968 -0.927 234 HA SER 28 HA SER 28 5.491 -16.417 -1.969 235 HB2 SER 28 2HB SER 28 3.822 -15.031 0.173 236 HB3 SER 28 3HB SER 28 4.028 -16.760 -0.032 237 HG SER 28 HG SER 28 5.399 -15.639 1.651 238 H ASN 29 H ASN 29 3.553 -13.412 -2.096 239 HA ASN 29 HA ASN 29 2.054 -14.475 -4.239 240 HB2 ASN 29 2HB ASN 29 0.862 -15.360 -2.112 241 HB3 ASN 29 3HB ASN 29 0.470 -13.694 -1.743 242 HD21 ASN 29 1HD2 ASN 29 -1.100 -16.148 -2.546 243 HD22 ASN 29 2HD2 ASN 29 -2.131 -15.637 -3.841 244 H LYS 30 H LYS 30 2.960 -12.539 -5.245 245 HA LYS 30 HA LYS 30 2.682 -9.992 -4.046 246 HB2 LYS 30 2HB LYS 30 3.266 -10.747 -6.925 247 HB3 LYS 30 3HB LYS 30 3.492 -9.162 -6.213 248 HG2 LYS 30 2HG LYS 30 4.929 -10.564 -4.416 249 HG3 LYS 30 3HG LYS 30 5.063 -11.694 -5.749 250 HD2 LYS 30 2HD LYS 30 5.619 -9.371 -7.079 251 HD3 LYS 30 3HD LYS 30 6.186 -8.927 -5.481 252 HE2 LYS 30 2HE LYS 30 7.917 -10.474 -5.500 253 HE3 LYS 30 3HE LYS 30 7.016 -11.641 -6.445 254 HZ1 LYS 30 1HZ LYS 30 7.558 -9.247 -7.876 255 HZ2 LYS 30 2HZ LYS 30 8.921 -10.009 -7.396 256 HZ3 LYS 30 3HZ LYS 30 7.822 -10.798 -8.311 257 H THR 31 H THR 31 0.745 -11.959 -6.325 258 HA THR 31 HA THR 31 -0.980 -9.939 -7.183 259 HB THR 31 HB THR 31 -1.943 -12.769 -6.769 260 HG1 THR 31 1HG THR 31 0.280 -11.778 -8.412 261 HG21 THR 31 1HG2 THR 31 -1.857 -12.120 -9.495 262 HG22 THR 31 2HG2 THR 31 -3.292 -11.970 -8.451 263 HG23 THR 31 3HG2 THR 31 -2.239 -10.561 -8.723 264 H VAL 32 H VAL 32 -0.533 -11.253 -4.038 265 HA VAL 32 HA VAL 32 -3.101 -10.060 -3.258 266 HB VAL 32 HB VAL 32 -1.809 -12.622 -2.323 267 HG11 VAL 32 1HG1 VAL 32 -3.712 -10.801 -0.916 268 HG12 VAL 32 2HG1 VAL 32 -4.022 -12.552 -0.820 269 HG13 VAL 32 3HG1 VAL 32 -2.467 -11.891 -0.260 270 HG21 VAL 32 1HG2 VAL 32 -3.175 -13.383 -3.952 271 HG22 VAL 32 2HG2 VAL 32 -4.454 -13.147 -2.736 272 HG23 VAL 32 3HG2 VAL 32 -4.156 -11.897 -3.969 273 HA PRO 33 HA PRO 33 -0.205 -7.549 -1.094 274 HB2 PRO 33 2HB PRO 33 -2.020 -5.839 0.045 275 HB3 PRO 33 3HB PRO 33 -1.512 -5.730 -1.601 276 HG2 PRO 33 2HG PRO 33 -4.044 -6.995 -0.468 277 HG3 PRO 33 3HG PRO 33 -3.845 -6.013 -1.916 278 HD2 PRO 33 2HD PRO 33 -4.014 -8.744 -2.066 279 HD3 PRO 33 3HD PRO 33 -3.147 -7.794 -3.233 280 H VAL 34 H VAL 34 0.618 -6.923 0.983 281 HA VAL 34 HA VAL 34 -0.446 -8.626 3.130 282 HB VAL 34 HB VAL 34 2.010 -8.735 1.991 283 HG11 VAL 34 1HG1 VAL 34 2.542 -7.189 4.527 284 HG12 VAL 34 2HG1 VAL 34 3.652 -7.577 3.190 285 HG13 VAL 34 3HG1 VAL 34 2.374 -6.359 2.961 286 HG21 VAL 34 1HG2 VAL 34 2.722 -9.941 4.040 287 HG22 VAL 34 2HG2 VAL 34 1.293 -9.302 4.887 288 HG23 VAL 34 3HG2 VAL 34 1.089 -10.400 3.501 289 H LYS 35 H LYS 35 0.648 -5.388 2.108 290 HA LYS 35 HA LYS 35 -0.790 -4.265 4.335 291 HB2 LYS 35 2HB LYS 35 2.150 -4.445 4.318 292 HB3 LYS 35 3HB LYS 35 1.540 -2.823 4.574 293 HG2 LYS 35 2HG LYS 35 0.458 -3.383 6.574 294 HG3 LYS 35 3HG LYS 35 0.219 -5.056 6.106 295 HD2 LYS 35 2HD LYS 35 3.063 -4.563 6.213 296 HD3 LYS 35 3HD LYS 35 2.352 -3.936 7.688 297 HE2 LYS 35 2HE LYS 35 1.212 -6.553 6.965 298 HE3 LYS 35 3HE LYS 35 2.953 -6.635 7.138 299 HZ1 LYS 35 1HZ LYS 35 2.543 -6.707 9.293 300 HZ2 LYS 35 2HZ LYS 35 2.151 -5.122 9.230 301 HZ3 LYS 35 3HZ LYS 35 0.981 -6.258 9.131 302 H ARG 36 H ARG 36 -1.406 -2.080 3.950 303 HA ARG 36 HA ARG 36 -0.358 -0.770 1.667 304 HB2 ARG 36 2HB ARG 36 -2.610 -0.581 0.505 305 HB3 ARG 36 3HB ARG 36 -1.928 -2.194 0.467 306 HG2 ARG 36 2HG ARG 36 -3.534 -1.821 2.888 307 HG3 ARG 36 3HG ARG 36 -4.477 -1.442 1.462 308 HD2 ARG 36 2HD ARG 36 -2.910 -3.852 0.973 309 HD3 ARG 36 3HD ARG 36 -3.808 -4.034 2.466 310 HE ARG 36 HE ARG 36 -5.835 -3.966 1.257 311 HH11 ARG 36 1HH1 ARG 36 -6.328 -3.735 -2.189 312 HH12 ARG 36 2HH1 ARG 36 -7.070 -4.077 -0.663 313 HH21 ARG 36 1HH2 ARG 36 -4.081 -3.165 -2.286 314 HH22 ARG 36 2HH2 ARG 36 -3.145 -3.081 -0.831 315 H GLY 37 H GLY 37 -0.491 1.443 2.047 316 HA2 GLY 37 1HA GLY 37 -2.719 2.641 3.368 317 HA3 GLY 37 2HA GLY 37 -1.347 2.485 4.446 318 H CYS 38 H CYS 38 -1.548 4.954 4.348 319 HA CYS 38 HA CYS 38 -0.293 5.987 1.919 320 HB2 CYS 38 2HB CYS 38 -1.781 7.454 4.105 321 HB3 CYS 38 3HB CYS 38 -1.056 8.198 2.694 322 H ILE 39 H ILE 39 1.619 7.330 2.139 323 HA ILE 39 HA ILE 39 2.759 7.574 4.790 324 HB ILE 39 HB ILE 39 3.422 5.328 3.935 325 HG12 ILE 39 2HG1 ILE 39 5.725 7.268 4.280 326 HG13 ILE 39 3HG1 ILE 39 4.733 6.672 5.597 327 HG21 ILE 39 1HG2 ILE 39 3.634 6.351 1.508 328 HG22 ILE 39 2HG2 ILE 39 5.315 6.629 2.023 329 HG23 ILE 39 3HG2 ILE 39 4.643 4.981 2.033 330 HD11 ILE 39 1HD1 ILE 39 6.961 5.370 4.269 331 HD12 ILE 39 2HD1 ILE 39 6.070 4.850 5.720 332 HD13 ILE 39 3HD1 ILE 39 5.499 4.366 4.104 333 H ASP 40 H ASP 40 4.656 9.056 4.786 334 HA ASP 40 HA ASP 40 4.158 11.110 2.861 335 HB2 ASP 40 2HB ASP 40 5.957 12.319 4.249 336 HB3 ASP 40 3HB ASP 40 4.477 11.900 5.088 337 HD2 ASP 40 HD ASP 40 7.405 11.369 6.985 338 H ALA 41 H ALA 41 6.782 8.854 3.910 339 HA ALA 41 HA ALA 41 8.363 9.707 1.586 340 HB1 ALA 41 1HB ALA 41 9.183 8.286 4.154 341 HB2 ALA 41 2HB ALA 41 10.276 8.736 2.822 342 HB3 ALA 41 3HB ALA 41 9.461 10.002 3.770 343 H CYS 42 H CYS 42 8.757 8.263 -0.051 344 HA CYS 42 HA CYS 42 7.202 5.934 -0.148 345 HB2 CYS 42 2HB CYS 42 7.776 7.174 -2.139 346 HB3 CYS 42 3HB CYS 42 9.487 6.880 -1.887 347 HA PRO 43 HA PRO 43 9.850 3.571 2.543 348 HB2 PRO 43 2HB PRO 43 8.208 1.367 1.326 349 HB3 PRO 43 3HB PRO 43 8.606 1.622 2.988 350 HG2 PRO 43 2HG PRO 43 6.158 2.330 2.122 351 HG3 PRO 43 3HG PRO 43 7.014 3.422 3.207 352 HD2 PRO 43 2HD PRO 43 6.687 3.677 0.215 353 HD3 PRO 43 3HD PRO 43 6.605 4.917 1.427 354 H LYS 44 H LYS 44 11.050 1.295 2.494 355 HA LYS 44 HA LYS 44 12.737 1.436 0.115 356 HB2 LYS 44 2HB LYS 44 13.352 1.383 2.805 357 HB3 LYS 44 3HB LYS 44 13.590 -0.290 2.339 358 HG2 LYS 44 2HG LYS 44 15.634 0.386 1.589 359 HG3 LYS 44 3HG LYS 44 14.771 1.034 0.210 360 HD2 LYS 44 2HD LYS 44 15.785 3.000 0.844 361 HD3 LYS 44 3HD LYS 44 14.417 3.110 1.935 362 HE2 LYS 44 2HE LYS 44 16.201 3.432 3.419 363 HE3 LYS 44 3HE LYS 44 15.938 1.707 3.585 364 HZ1 LYS 44 1HZ LYS 44 18.269 2.407 3.192 365 HZ2 LYS 44 2HZ LYS 44 17.722 1.275 2.148 366 HZ3 LYS 44 3HZ LYS 44 17.855 2.832 1.669 367 H ASN 45 H ASN 45 12.905 -0.226 -1.347 368 HA ASN 45 HA ASN 45 10.882 -2.207 -1.166 369 HB2 ASN 45 2HB ASN 45 11.633 -2.855 -3.414 370 HB3 ASN 45 3HB ASN 45 11.593 -1.105 -3.330 371 HD21 ASN 45 1HD2 ASN 45 13.409 0.068 -3.548 372 HD22 ASN 45 2HD2 ASN 45 14.985 -0.578 -3.863 373 H SER 46 H SER 46 11.336 -4.578 -1.223 374 HA SER 46 HA SER 46 14.026 -5.216 -0.302 375 HB2 SER 46 2HB SER 46 11.438 -6.446 0.747 376 HB3 SER 46 3HB SER 46 13.057 -6.883 1.256 377 HG SER 46 HG SER 46 12.884 -4.213 1.538 378 H LEU 47 H LEU 47 14.224 -7.841 -0.384 379 HA LEU 47 HA LEU 47 13.589 -8.490 -3.129 380 HB2 LEU 47 2HB LEU 47 15.112 -10.319 -2.841 381 HB3 LEU 47 3HB LEU 47 15.842 -8.827 -2.278 382 HG LEU 47 HG LEU 47 14.539 -10.218 -0.087 383 HD11 LEU 47 1HD1 LEU 47 14.934 -12.336 -0.706 384 HD12 LEU 47 2HD1 LEU 47 16.093 -11.862 -1.971 385 HD13 LEU 47 3HD1 LEU 47 16.622 -11.969 -0.275 386 HD21 LEU 47 1HD2 LEU 47 16.257 -9.362 1.058 387 HD22 LEU 47 2HD2 LEU 47 17.465 -10.010 -0.076 388 HD23 LEU 47 3HD2 LEU 47 16.634 -8.479 -0.441 389 H LEU 48 H LEU 48 12.643 -9.363 0.195 390 HA LEU 48 HA LEU 48 11.033 -11.561 -0.787 391 HB2 LEU 48 2HB LEU 48 12.293 -10.845 1.665 392 HB3 LEU 48 3HB LEU 48 10.572 -10.969 1.962 393 HG LEU 48 HG LEU 48 11.836 -13.182 0.415 394 HD11 LEU 48 1HD1 LEU 48 12.047 -13.644 3.289 395 HD12 LEU 48 2HD1 LEU 48 13.217 -13.955 1.984 396 HD13 LEU 48 3HD1 LEU 48 13.114 -12.337 2.720 397 HD21 LEU 48 1HD2 LEU 48 9.825 -14.038 0.791 398 HD22 LEU 48 2HD2 LEU 48 10.215 -14.111 2.526 399 HD23 LEU 48 3HD2 LEU 48 9.398 -12.679 1.857 400 H VAL 49 H VAL 49 10.699 -8.234 0.530 401 HA VAL 49 HA VAL 49 7.847 -8.399 -0.167 402 HB VAL 49 HB VAL 49 9.196 -6.629 1.881 403 HG11 VAL 49 1HG1 VAL 49 6.342 -6.969 0.968 404 HG12 VAL 49 2HG1 VAL 49 6.715 -6.407 2.616 405 HG13 VAL 49 3HG1 VAL 49 7.280 -5.475 1.208 406 HG21 VAL 49 1HG2 VAL 49 8.863 -9.301 2.179 407 HG22 VAL 49 2HG2 VAL 49 8.771 -8.135 3.521 408 HG23 VAL 49 3HG2 VAL 49 7.279 -8.722 2.747 409 H LYS 50 H LYS 50 7.209 -7.162 -1.857 410 HA LYS 50 HA LYS 50 9.144 -5.218 -2.855 411 HB2 LYS 50 2HB LYS 50 7.982 -7.175 -4.206 412 HB3 LYS 50 3HB LYS 50 6.668 -6.024 -4.342 413 HG2 LYS 50 2HG LYS 50 9.311 -4.802 -4.866 414 HG3 LYS 50 3HG LYS 50 8.942 -6.113 -5.970 415 HD2 LYS 50 2HD LYS 50 6.540 -4.566 -5.701 416 HD3 LYS 50 3HD LYS 50 7.849 -3.423 -5.916 417 HE2 LYS 50 2HE LYS 50 8.398 -4.222 -8.050 418 HE3 LYS 50 3HE LYS 50 7.814 -5.840 -7.717 419 HZ1 LYS 50 1HZ LYS 50 5.892 -3.666 -7.732 420 HZ2 LYS 50 2HZ LYS 50 6.453 -4.210 -9.166 421 HZ3 LYS 50 3HZ LYS 50 5.688 -5.233 -8.148 422 H TYR 51 H TYR 51 8.876 -3.082 -2.499 423 HA TYR 51 HA TYR 51 6.251 -2.235 -1.503 424 HB2 TYR 51 2HB TYR 51 9.084 -1.016 -1.479 425 HB3 TYR 51 3HB TYR 51 7.699 -0.280 -0.697 426 HD1 TYR 51 1HD TYR 51 7.450 -0.615 1.583 427 HD2 TYR 51 2HD TYR 51 9.503 -3.576 -0.723 428 HE1 TYR 51 1HE TYR 51 7.955 -1.926 3.703 429 HE2 TYR 51 2HE TYR 51 10.002 -4.876 1.404 430 HH TYR 51 HH TYR 51 10.158 -3.882 4.128 431 H VAL 52 H VAL 52 4.932 -1.189 -2.901 432 HA VAL 52 HA VAL 52 6.236 0.291 -5.080 433 HB VAL 52 HB VAL 52 3.630 -1.232 -4.981 434 HG11 VAL 52 1HG1 VAL 52 4.653 0.349 -7.351 435 HG12 VAL 52 2HG1 VAL 52 3.063 -0.420 -7.135 436 HG13 VAL 52 3HG1 VAL 52 3.494 1.016 -6.175 437 HG21 VAL 52 1HG2 VAL 52 5.242 -1.869 -7.242 438 HG22 VAL 52 2HG2 VAL 52 6.291 -1.908 -5.804 439 HG23 VAL 52 3HG2 VAL 52 4.815 -2.903 -5.857 440 H CYS 53 H CYS 53 5.695 2.440 -5.359 441 HA CYS 53 HA CYS 53 3.853 3.489 -3.342 442 HB2 CYS 53 2HB CYS 53 6.168 4.797 -4.778 443 HB3 CYS 53 3HB CYS 53 5.029 5.668 -3.768 444 H CYS 54 H CYS 54 2.163 4.909 -4.035 445 HA CYS 54 HA CYS 54 2.005 5.460 -6.876 446 HB2 CYS 54 2HB CYS 54 -0.498 4.736 -6.681 447 HB3 CYS 54 3HB CYS 54 0.752 3.580 -7.095 448 H ASN 55 H ASN 55 0.371 7.199 -7.300 449 HA ASN 55 HA ASN 55 -0.370 8.584 -4.850 450 HB2 ASN 55 2HB ASN 55 0.192 10.747 -5.951 451 HB3 ASN 55 3HB ASN 55 1.607 9.718 -5.864 452 HD21 ASN 55 1HD2 ASN 55 1.534 11.773 -7.619 453 HD22 ASN 55 2HD2 ASN 55 1.432 11.210 -9.254 454 H THR 56 H THR 56 -1.950 6.766 -6.524 455 HA THR 56 HA THR 56 -3.784 8.671 -7.825 456 HB THR 56 HB THR 56 -4.448 6.411 -9.042 457 HG1 THR 56 1HG THR 56 -3.118 4.809 -8.297 458 HG21 THR 56 1HG2 THR 56 -2.037 8.161 -9.479 459 HG22 THR 56 2HG2 THR 56 -2.078 6.617 -10.364 460 HG23 THR 56 3HG2 THR 56 -3.387 7.804 -10.584 461 H ASP 57 H ASP 57 -6.121 7.699 -7.906 462 HA ASP 57 HA ASP 57 -6.855 7.468 -5.195 463 HB2 ASP 57 2HB ASP 57 -8.250 7.576 -7.857 464 HB3 ASP 57 3HB ASP 57 -9.160 6.895 -6.524 465 HD2 ASP 57 HD ASP 57 -8.871 9.843 -4.642 466 H ARG 58 H ARG 58 -7.534 5.576 -4.073 467 HA ARG 58 HA ARG 58 -7.558 3.461 -3.593 468 HB2 ARG 58 2HB ARG 58 -9.269 3.770 -5.995 469 HB3 ARG 58 3HB ARG 58 -8.729 2.120 -5.761 470 HG2 ARG 58 2HG ARG 58 -10.187 1.828 -4.049 471 HG3 ARG 58 3HG ARG 58 -9.519 3.201 -3.190 472 HD2 ARG 58 2HD ARG 58 -11.696 3.972 -3.518 473 HD3 ARG 58 3HD ARG 58 -10.942 4.613 -4.963 474 HE ARG 58 HE ARG 58 -11.744 2.116 -5.794 475 HH11 ARG 58 1HH1 ARG 58 -15.177 2.530 -6.264 476 HH12 ARG 58 2HH1 ARG 58 -13.784 1.586 -6.676 477 HH21 ARG 58 1HH2 ARG 58 -14.970 4.332 -4.816 478 HH22 ARG 58 2HH2 ARG 58 -13.424 4.733 -4.147 479 H CYS 59 H CYS 59 -5.208 4.493 -5.223 480 HA CYS 59 HA CYS 59 -4.353 2.806 -7.159 481 HB2 CYS 59 2HB CYS 59 -2.214 3.611 -6.804 482 HB3 CYS 59 3HB CYS 59 -3.250 4.900 -6.227 483 H ASN 60 H ASN 60 -4.080 2.450 -3.559 484 HA ASN 60 HA ASN 60 -3.355 -0.331 -4.044 485 HB2 ASN 60 2HB ASN 60 -2.320 -0.289 -1.781 486 HB3 ASN 60 3HB ASN 60 -1.629 0.963 -2.791 487 HD21 ASN 60 1HD2 ASN 60 -4.145 0.323 -0.383 488 HD22 ASN 60 2HD2 ASN 60 -4.153 1.886 0.362 Start of MODEL 10 1 H1 LEU 1 H LEU 1 -5.841 13.225 -0.532 2 HA LEU 1 HA LEU 1 -6.080 11.557 -2.917 3 HB2 LEU 1 2HB LEU 1 -3.763 12.643 -2.629 4 HB3 LEU 1 3HB LEU 1 -3.567 11.558 -1.266 5 HG LEU 1 HG LEU 1 -4.340 9.779 -3.166 6 HD11 LEU 1 1HD1 LEU 1 -3.038 10.326 -5.233 7 HD12 LEU 1 2HD1 LEU 1 -4.486 11.330 -4.979 8 HD13 LEU 1 3HD1 LEU 1 -2.873 11.991 -4.623 9 HD21 LEU 1 1HD2 LEU 1 -2.224 10.050 -1.592 10 HD22 LEU 1 2HD2 LEU 1 -2.235 8.920 -2.969 11 HD23 LEU 1 3HD2 LEU 1 -1.443 10.507 -3.126 12 H LYS 2 H LYS 2 -6.989 9.614 -2.456 13 HA LYS 2 HA LYS 2 -7.000 8.840 0.379 14 HB2 LYS 2 2HB LYS 2 -9.188 8.581 -1.704 15 HB3 LYS 2 3HB LYS 2 -9.217 7.761 -0.153 16 HG2 LYS 2 2HG LYS 2 -10.132 9.635 0.736 17 HG3 LYS 2 3HG LYS 2 -8.586 10.429 0.508 18 HD2 LYS 2 2HD LYS 2 -10.178 10.292 -1.983 19 HD3 LYS 2 3HD LYS 2 -10.999 11.164 -0.705 20 HE2 LYS 2 2HE LYS 2 -8.436 12.187 -0.484 21 HE3 LYS 2 3HE LYS 2 -8.529 11.887 -2.207 22 HZ1 LYS 2 1HZ LYS 2 -10.161 13.659 -0.582 23 HZ2 LYS 2 2HZ LYS 2 -9.450 13.941 -2.026 24 HZ3 LYS 2 3HZ LYS 2 -10.806 13.035 -1.947 25 H CYS 3 H CYS 3 -6.635 6.645 0.874 26 HA CYS 3 HA CYS 3 -5.737 5.071 -1.430 27 HB2 CYS 3 2HB CYS 3 -4.585 4.998 1.362 28 HB3 CYS 3 3HB CYS 3 -4.048 4.052 -0.013 29 H ASN 4 H ASN 4 -6.301 2.804 -1.365 30 HA ASN 4 HA ASN 4 -8.706 2.310 -0.018 31 HB2 ASN 4 2HB ASN 4 -7.602 1.279 -2.252 32 HB3 ASN 4 3HB ASN 4 -7.000 0.069 -1.134 33 HD21 ASN 4 1HD2 ASN 4 -9.952 1.803 -2.074 34 HD22 ASN 4 2HD2 ASN 4 -11.066 0.500 -1.828 35 H LYS 5 H LYS 5 -8.985 0.256 1.424 36 HA LYS 5 HA LYS 5 -6.813 0.238 3.368 37 HB2 LYS 5 2HB LYS 5 -9.684 -0.725 3.550 38 HB3 LYS 5 3HB LYS 5 -8.511 -0.808 4.850 39 HG2 LYS 5 2HG LYS 5 -8.697 1.881 3.613 40 HG3 LYS 5 3HG LYS 5 -10.202 1.347 4.335 41 HD2 LYS 5 2HD LYS 5 -7.653 0.977 5.912 42 HD3 LYS 5 3HD LYS 5 -8.322 2.591 5.789 43 HE2 LYS 5 2HE LYS 5 -9.901 2.101 7.344 44 HE3 LYS 5 3HE LYS 5 -10.490 0.766 6.373 45 HZ1 LYS 5 1HZ LYS 5 -9.117 0.596 8.722 46 HZ2 LYS 5 2HZ LYS 5 -9.500 -0.642 7.726 47 HZ3 LYS 5 3HZ LYS 5 -8.049 0.095 7.592 48 H LEU 6 H LEU 6 -7.248 -2.269 4.560 49 HA LEU 6 HA LEU 6 -5.722 -3.894 2.868 50 HB2 LEU 6 2HB LEU 6 -6.093 -3.803 5.481 51 HB3 LEU 6 3HB LEU 6 -7.307 -5.017 5.136 52 HG LEU 6 HG LEU 6 -4.383 -5.227 4.367 53 HD11 LEU 6 1HD1 LEU 6 -5.681 -6.914 6.480 54 HD12 LEU 6 2HD1 LEU 6 -3.966 -6.499 6.242 55 HD13 LEU 6 3HD1 LEU 6 -5.095 -5.281 6.883 56 HD21 LEU 6 1HD2 LEU 6 -5.113 -6.774 2.939 57 HD22 LEU 6 2HD2 LEU 6 -5.479 -7.767 4.369 58 HD23 LEU 6 3HD2 LEU 6 -6.752 -6.765 3.631 59 H ILE 7 H ILE 7 -9.239 -3.768 3.636 60 HA ILE 7 HA ILE 7 -9.665 -5.895 1.680 61 HB ILE 7 HB ILE 7 -11.493 -4.650 3.736 62 HG12 ILE 7 2HG1 ILE 7 -9.905 -7.214 3.652 63 HG13 ILE 7 3HG1 ILE 7 -9.903 -5.966 4.882 64 HG21 ILE 7 1HG2 ILE 7 -12.534 -5.500 1.534 65 HG22 ILE 7 2HG2 ILE 7 -12.109 -7.122 2.131 66 HG23 ILE 7 3HG2 ILE 7 -13.205 -6.085 3.077 67 HD11 ILE 7 1HD1 ILE 7 -11.207 -7.791 5.762 68 HD12 ILE 7 2HD1 ILE 7 -12.369 -6.521 5.309 69 HD13 ILE 7 3HD1 ILE 7 -12.140 -7.936 4.253 70 HA PRO 8 HA PRO 8 -10.423 -2.841 -1.353 71 HB2 PRO 8 2HB PRO 8 -11.682 -4.504 -3.181 72 HB3 PRO 8 3HB PRO 8 -9.969 -4.354 -3.005 73 HG2 PRO 8 2HG PRO 8 -11.827 -6.463 -1.820 74 HG3 PRO 8 3HG PRO 8 -10.229 -6.665 -2.534 75 HD2 PRO 8 2HD PRO 8 -10.496 -6.643 0.164 76 HD3 PRO 8 3HD PRO 8 -9.088 -5.980 -0.608 77 H LEU 9 H LEU 9 -12.008 -1.758 0.273 78 HA LEU 9 HA LEU 9 -14.283 -1.042 -1.163 79 HB2 LEU 9 2HB LEU 9 -16.036 -2.159 -0.267 80 HB3 LEU 9 3HB LEU 9 -14.830 -3.432 -0.282 81 HG LEU 9 HG LEU 9 -14.395 -2.456 2.199 82 HD11 LEU 9 1HD1 LEU 9 -16.519 -0.924 1.550 83 HD12 LEU 9 2HD1 LEU 9 -17.354 -2.328 2.258 84 HD13 LEU 9 3HD1 LEU 9 -16.139 -1.443 3.211 85 HD21 LEU 9 1HD2 LEU 9 -14.680 -4.706 2.165 86 HD22 LEU 9 2HD2 LEU 9 -16.267 -4.254 2.831 87 HD23 LEU 9 3HD2 LEU 9 -16.104 -4.628 1.100 88 H ALA 10 H ALA 10 -12.509 -1.347 1.914 89 HA ALA 10 HA ALA 10 -13.716 1.131 2.861 90 HB1 ALA 10 1HB ALA 10 -11.629 -0.539 4.283 91 HB2 ALA 10 2HB ALA 10 -12.867 0.533 4.980 92 HB3 ALA 10 3HB ALA 10 -13.342 -1.025 4.261 93 H TYR 11 H TYR 11 -12.640 3.082 2.915 94 HA TYR 11 HA TYR 11 -9.795 3.040 2.213 95 HB2 TYR 11 2HB TYR 11 -10.346 4.938 0.628 96 HB3 TYR 11 3HB TYR 11 -11.189 3.473 0.166 97 HD1 TYR 11 1HD TYR 11 -13.640 3.212 0.791 98 HD2 TYR 11 2HD TYR 11 -11.540 6.920 1.185 99 HE1 TYR 11 1HE TYR 11 -15.851 4.464 0.876 100 HE2 TYR 11 2HE TYR 11 -13.758 8.159 1.269 101 HH TYR 11 HH TYR 11 -16.808 6.428 0.802 102 H LYS 12 H LYS 12 -8.740 5.211 2.650 103 HA LYS 12 HA LYS 12 -10.178 6.929 4.460 104 HB2 LYS 12 2HB LYS 12 -9.076 4.824 5.690 105 HB3 LYS 12 3HB LYS 12 -7.647 5.835 5.605 106 HG2 LYS 12 2HG LYS 12 -8.437 6.867 7.474 107 HG3 LYS 12 3HG LYS 12 -9.595 7.653 6.420 108 HD2 LYS 12 2HD LYS 12 -10.200 4.887 7.504 109 HD3 LYS 12 3HD LYS 12 -10.440 6.287 8.530 110 HE2 LYS 12 2HE LYS 12 -12.152 7.171 7.170 111 HE3 LYS 12 3HE LYS 12 -11.580 6.349 5.731 112 HZ1 LYS 12 1HZ LYS 12 -12.428 4.335 6.502 113 HZ2 LYS 12 2HZ LYS 12 -12.651 4.877 8.026 114 HZ3 LYS 12 3HZ LYS 12 -13.607 5.419 6.819 115 H THR 13 H THR 13 -9.245 9.007 4.581 116 HA THR 13 HA THR 13 -7.576 9.668 2.386 117 HB THR 13 HB THR 13 -8.612 11.198 4.828 118 HG1 THR 13 1HG THR 13 -10.351 11.066 3.466 119 HG21 THR 13 1HG2 THR 13 -7.328 12.214 2.236 120 HG22 THR 13 2HG2 THR 13 -8.155 13.234 3.437 121 HG23 THR 13 3HG2 THR 13 -6.645 12.398 3.870 122 H CYS 14 H CYS 14 -5.447 10.492 2.336 123 HA CYS 14 HA CYS 14 -3.750 9.148 4.180 124 HB2 CYS 14 2HB CYS 14 -2.905 11.195 2.136 125 HB3 CYS 14 3HB CYS 14 -1.946 9.906 2.839 126 HA PRO 15 HA PRO 15 -4.140 12.393 7.201 127 HB2 PRO 15 2HB PRO 15 -1.706 10.974 8.249 128 HB3 PRO 15 3HB PRO 15 -3.099 11.507 9.121 129 HG2 PRO 15 2HG PRO 15 -2.911 8.904 8.488 130 HG3 PRO 15 3HG PRO 15 -4.463 9.706 8.262 131 HD2 PRO 15 2HD PRO 15 -2.419 9.018 6.139 132 HD3 PRO 15 3HD PRO 15 -4.145 8.860 6.077 133 H ALA 16 H ALA 16 -2.467 13.824 8.625 134 HA ALA 16 HA ALA 16 -1.416 15.666 6.800 135 HB1 ALA 16 1HB ALA 16 -0.214 16.078 9.329 136 HB2 ALA 16 2HB ALA 16 -1.677 16.861 8.685 137 HB3 ALA 16 3HB ALA 16 -1.817 15.377 9.658 138 H GLY 17 H GLY 17 0.436 15.603 5.638 139 HA2 GLY 17 1HA GLY 17 2.760 15.435 5.483 140 HA3 GLY 17 2HA GLY 17 2.785 14.306 6.824 141 H LYS 18 H LYS 18 0.395 12.783 5.667 142 HA LYS 18 HA LYS 18 1.974 11.261 3.733 143 HB2 LYS 18 2HB LYS 18 -0.183 10.566 5.704 144 HB3 LYS 18 3HB LYS 18 0.038 9.559 4.285 145 HG2 LYS 18 2HG LYS 18 2.211 8.899 4.912 146 HG3 LYS 18 3HG LYS 18 2.480 10.327 5.892 147 HD2 LYS 18 2HD LYS 18 0.271 8.457 6.734 148 HD3 LYS 18 3HD LYS 18 1.921 7.927 6.990 149 HE2 LYS 18 2HE LYS 18 2.178 10.425 7.988 150 HE3 LYS 18 3HE LYS 18 0.455 10.241 8.244 151 HZ1 LYS 18 1HZ LYS 18 0.785 8.617 9.746 152 HZ2 LYS 18 2HZ LYS 18 2.135 8.029 9.040 153 HZ3 LYS 18 3HZ LYS 18 2.214 9.379 9.955 154 H ASN 19 H ASN 19 1.623 11.894 1.666 155 HA ASN 19 HA ASN 19 -1.173 12.294 0.947 156 HB2 ASN 19 2HB ASN 19 -0.571 14.115 -0.520 157 HB3 ASN 19 3HB ASN 19 0.258 14.439 0.990 158 HD21 ASN 19 1HD2 ASN 19 2.491 13.751 1.201 159 HD22 ASN 19 2HD2 ASN 19 3.538 13.765 -0.179 160 H LEU 20 H LEU 20 1.234 10.151 0.818 161 HA LEU 20 HA LEU 20 0.897 9.585 -2.045 162 HB2 LEU 20 2HB LEU 20 3.268 9.418 -0.242 163 HB3 LEU 20 3HB LEU 20 3.106 8.227 -1.517 164 HG LEU 20 HG LEU 20 2.729 11.033 -2.379 165 HD11 LEU 20 1HD1 LEU 20 5.204 11.437 -2.432 166 HD12 LEU 20 2HD1 LEU 20 4.469 11.486 -0.811 167 HD13 LEU 20 3HD1 LEU 20 5.393 10.055 -1.327 168 HD21 LEU 20 1HD2 LEU 20 3.200 10.142 -4.358 169 HD22 LEU 20 2HD2 LEU 20 4.746 9.487 -3.765 170 HD23 LEU 20 3HD2 LEU 20 3.246 8.550 -3.564 171 H CYS 21 H CYS 21 0.771 7.274 -2.615 172 HA CYS 21 HA CYS 21 -0.498 5.804 -0.428 173 HB2 CYS 21 2HB CYS 21 -0.892 5.767 -3.410 174 HB3 CYS 21 3HB CYS 21 -1.395 4.412 -2.416 175 H TYR 22 H TYR 22 0.126 3.568 -0.097 176 HA TYR 22 HA TYR 22 2.440 2.662 -1.639 177 HB2 TYR 22 2HB TYR 22 3.744 2.496 0.346 178 HB3 TYR 22 3HB TYR 22 2.800 3.921 0.730 179 HD1 TYR 22 1HD TYR 22 2.806 0.205 1.161 180 HD2 TYR 22 2HD TYR 22 1.488 3.983 2.675 181 HE1 TYR 22 1HE TYR 22 1.917 -0.935 3.252 182 HE2 TYR 22 2HE TYR 22 0.604 2.831 4.761 183 HH TYR 22 HH TYR 22 0.535 0.975 5.897 184 H LYS 23 H LYS 23 2.892 0.302 -1.274 185 HA LYS 23 HA LYS 23 0.709 -1.178 -0.086 186 HB2 LYS 23 2HB LYS 23 0.088 -2.377 -2.046 187 HB3 LYS 23 3HB LYS 23 -0.022 -0.672 -2.427 188 HG2 LYS 23 2HG LYS 23 2.155 -0.728 -3.577 189 HG3 LYS 23 3HG LYS 23 2.421 -2.387 -3.076 190 HD2 LYS 23 2HD LYS 23 1.618 -2.658 -5.273 191 HD3 LYS 23 3HD LYS 23 0.168 -2.905 -4.321 192 HE2 LYS 23 2HE LYS 23 -0.127 -0.273 -4.614 193 HE3 LYS 23 3HE LYS 23 0.962 -0.493 -5.970 194 HZ1 LYS 23 1HZ LYS 23 -0.601 -2.311 -6.665 195 HZ2 LYS 23 2HZ LYS 23 -1.659 -1.732 -5.566 196 HZ3 LYS 23 3HZ LYS 23 -1.169 -0.786 -6.805 197 H MET 24 H MET 24 1.486 -2.970 0.928 198 HA MET 24 HA MET 24 4.274 -3.582 0.369 199 HB2 MET 24 2HB MET 24 2.436 -3.796 2.771 200 HB3 MET 24 3HB MET 24 3.771 -4.929 2.671 201 HG2 MET 24 2HG MET 24 5.346 -2.956 2.354 202 HG3 MET 24 3HG MET 24 3.988 -1.880 2.621 203 HE1 MET 24 1HE MET 24 3.286 -1.148 5.247 204 HE2 MET 24 2HE MET 24 4.864 -1.161 6.068 205 HE3 MET 24 3HE MET 24 4.753 -0.672 4.360 206 H PHE 25 H PHE 25 4.600 -5.296 -0.981 207 HA PHE 25 HA PHE 25 2.607 -7.445 -0.892 208 HB2 PHE 25 2HB PHE 25 4.527 -6.256 -2.950 209 HB3 PHE 25 3HB PHE 25 3.982 -7.908 -3.164 210 HD1 PHE 25 1HD PHE 25 2.697 -7.660 -5.124 211 HD2 PHE 25 2HD PHE 25 1.952 -5.124 -1.804 212 HE1 PHE 25 1HE PHE 25 0.606 -6.824 -6.231 213 HE2 PHE 25 2HE PHE 25 -0.140 -4.288 -2.911 214 HZ PHE 25 HZ PHE 25 -0.787 -5.149 -5.111 215 H MET 26 H MET 26 3.272 -9.621 -0.687 216 HA MET 26 HA MET 26 6.029 -9.869 0.226 217 HB2 MET 26 2HB MET 26 3.673 -11.764 0.728 218 HB3 MET 26 3HB MET 26 5.213 -11.773 1.566 219 HG2 MET 26 2HG MET 26 3.654 -9.203 1.644 220 HG3 MET 26 3HG MET 26 3.005 -10.543 2.569 221 HE1 MET 26 1HE MET 26 5.676 -11.377 5.150 222 HE2 MET 26 2HE MET 26 4.091 -11.735 4.424 223 HE3 MET 26 3HE MET 26 5.584 -12.182 3.565 224 H VAL 27 H VAL 27 7.367 -11.567 -0.559 225 HA VAL 27 HA VAL 27 7.022 -12.281 -3.201 226 HB VAL 27 HB VAL 27 9.055 -12.305 -1.524 227 HG11 VAL 27 1HG1 VAL 27 8.372 -15.258 -1.605 228 HG12 VAL 27 2HG1 VAL 27 9.719 -14.467 -0.752 229 HG13 VAL 27 3HG1 VAL 27 8.045 -14.211 -0.204 230 HG21 VAL 27 1HG2 VAL 27 8.563 -13.812 -4.057 231 HG22 VAL 27 2HG2 VAL 27 9.690 -12.478 -3.715 232 HG23 VAL 27 3HG2 VAL 27 10.080 -14.131 -3.182 233 H SER 28 H SER 28 6.084 -13.971 -0.169 234 HA SER 28 HA SER 28 5.513 -16.415 -1.103 235 HB2 SER 28 2HB SER 28 3.854 -16.586 0.699 236 HB3 SER 28 3HB SER 28 5.251 -15.685 1.257 237 HG SER 28 HG SER 28 2.881 -14.402 0.207 238 H ASN 29 H ASN 29 3.677 -13.382 -1.602 239 HA ASN 29 HA ASN 29 2.382 -14.523 -3.826 240 HB2 ASN 29 2HB ASN 29 0.978 -15.313 -1.780 241 HB3 ASN 29 3HB ASN 29 0.541 -13.632 -1.554 242 HD21 ASN 29 1HD2 ASN 29 -0.915 -16.149 -2.385 243 HD22 ASN 29 2HD2 ASN 29 -1.801 -15.723 -3.811 244 H LYS 30 H LYS 30 3.356 -12.635 -4.836 245 HA LYS 30 HA LYS 30 3.014 -10.041 -3.759 246 HB2 LYS 30 2HB LYS 30 3.809 -10.909 -6.557 247 HB3 LYS 30 3HB LYS 30 4.000 -9.302 -5.882 248 HG2 LYS 30 2HG LYS 30 5.216 -10.853 -3.935 249 HG3 LYS 30 3HG LYS 30 5.594 -11.765 -5.381 250 HD2 LYS 30 2HD LYS 30 6.520 -9.703 -6.448 251 HD3 LYS 30 3HD LYS 30 6.126 -8.778 -5.013 252 HE2 LYS 30 2HE LYS 30 7.720 -9.992 -3.663 253 HE3 LYS 30 3HE LYS 30 7.912 -11.242 -4.876 254 HZ1 LYS 30 1HZ LYS 30 9.532 -9.182 -4.645 255 HZ2 LYS 30 2HZ LYS 30 9.294 -9.967 -6.057 256 HZ3 LYS 30 3HZ LYS 30 8.502 -8.570 -5.755 257 H THR 31 H THR 31 1.250 -12.071 -6.128 258 HA THR 31 HA THR 31 -0.401 -10.041 -7.138 259 HB THR 31 HB THR 31 -1.274 -12.930 -6.828 260 HG1 THR 31 1HG THR 31 0.813 -11.779 -8.545 261 HG21 THR 31 1HG2 THR 31 -1.261 -12.245 -9.510 262 HG22 THR 31 2HG2 THR 31 -2.681 -12.074 -8.449 263 HG23 THR 31 3HG2 THR 31 -1.622 -10.675 -8.752 264 H VAL 32 H VAL 32 -0.194 -11.344 -3.978 265 HA VAL 32 HA VAL 32 -2.850 -10.224 -3.417 266 HB VAL 32 HB VAL 32 -1.580 -12.765 -2.402 267 HG11 VAL 32 1HG1 VAL 32 -3.783 -12.822 -0.983 268 HG12 VAL 32 2HG1 VAL 32 -2.365 -11.927 -0.387 269 HG13 VAL 32 3HG1 VAL 32 -3.713 -11.050 -1.151 270 HG21 VAL 32 1HG2 VAL 32 -4.276 -12.191 -3.680 271 HG22 VAL 32 2HG2 VAL 32 -2.876 -12.947 -4.477 272 HG23 VAL 32 3HG2 VAL 32 -3.695 -13.782 -3.136 273 HA PRO 33 HA PRO 33 -0.188 -7.650 -1.030 274 HB2 PRO 33 2HB PRO 33 -2.122 -5.959 -0.075 275 HB3 PRO 33 3HB PRO 33 -1.466 -5.852 -1.669 276 HG2 PRO 33 2HG PRO 33 -4.075 -7.148 -0.769 277 HG3 PRO 33 3HG PRO 33 -3.756 -6.168 -2.197 278 HD2 PRO 33 2HD PRO 33 -3.873 -8.901 -2.357 279 HD3 PRO 33 3HD PRO 33 -2.907 -7.942 -3.434 280 H VAL 34 H VAL 34 0.522 -7.121 1.077 281 HA VAL 34 HA VAL 34 -0.749 -8.780 3.139 282 HB VAL 34 HB VAL 34 1.739 -9.007 2.255 283 HG11 VAL 34 1HG1 VAL 34 2.188 -6.568 2.819 284 HG12 VAL 34 2HG1 VAL 34 2.128 -7.049 4.532 285 HG13 VAL 34 3HG1 VAL 34 3.359 -7.749 3.453 286 HG21 VAL 34 1HG2 VAL 34 0.656 -10.387 3.994 287 HG22 VAL 34 2HG2 VAL 34 2.346 -10.004 4.400 288 HG23 VAL 34 3HG2 VAL 34 1.019 -9.131 5.203 289 H LYS 35 H LYS 35 0.410 -5.534 2.213 290 HA LYS 35 HA LYS 35 -1.190 -4.442 4.361 291 HB2 LYS 35 2HB LYS 35 1.736 -4.554 4.463 292 HB3 LYS 35 3HB LYS 35 1.118 -2.920 4.595 293 HG2 LYS 35 2HG LYS 35 -0.117 -5.167 6.225 294 HG3 LYS 35 3HG LYS 35 1.349 -4.377 6.774 295 HD2 LYS 35 2HD LYS 35 -0.656 -2.405 5.925 296 HD3 LYS 35 3HD LYS 35 -1.308 -3.476 7.150 297 HE2 LYS 35 2HE LYS 35 0.491 -2.945 8.698 298 HE3 LYS 35 3HE LYS 35 1.403 -2.112 7.456 299 HZ1 LYS 35 1HZ LYS 35 -0.255 -0.914 9.135 300 HZ2 LYS 35 2HZ LYS 35 0.149 -0.301 7.677 301 HZ3 LYS 35 3HZ LYS 35 -1.253 -1.117 7.860 302 H ARG 36 H ARG 36 -1.770 -2.210 3.982 303 HA ARG 36 HA ARG 36 -0.775 -0.990 1.617 304 HB2 ARG 36 2HB ARG 36 -3.389 -2.419 1.641 305 HB3 ARG 36 3HB ARG 36 -3.490 -0.774 1.047 306 HG2 ARG 36 2HG ARG 36 -2.715 -1.515 -0.951 307 HG3 ARG 36 3HG ARG 36 -1.168 -1.814 -0.184 308 HD2 ARG 36 2HD ARG 36 -1.637 -3.954 -0.993 309 HD3 ARG 36 3HD ARG 36 -2.329 -4.082 0.612 310 HE ARG 36 HE ARG 36 -4.468 -4.181 -0.339 311 HH11 ARG 36 1HH1 ARG 36 -5.502 -3.752 -3.645 312 HH12 ARG 36 2HH1 ARG 36 -5.976 -4.251 -2.055 313 HH21 ARG 36 1HH2 ARG 36 -3.336 -3.013 -4.031 314 HH22 ARG 36 2HH2 ARG 36 -2.194 -2.960 -2.730 315 H GLY 37 H GLY 37 -1.297 1.296 1.562 316 HA2 GLY 37 1HA GLY 37 -3.249 2.601 2.994 317 HA3 GLY 37 2HA GLY 37 -1.914 2.416 4.114 318 H CYS 38 H CYS 38 -1.822 4.832 4.031 319 HA CYS 38 HA CYS 38 -0.615 5.794 1.550 320 HB2 CYS 38 2HB CYS 38 -1.966 7.250 3.823 321 HB3 CYS 38 3HB CYS 38 -1.072 8.068 2.556 322 H ILE 39 H ILE 39 1.322 7.231 1.795 323 HA ILE 39 HA ILE 39 2.682 7.049 4.349 324 HB ILE 39 HB ILE 39 3.174 4.994 2.857 325 HG12 ILE 39 2HG1 ILE 39 5.518 6.581 3.930 326 HG13 ILE 39 3HG1 ILE 39 4.364 5.751 4.956 327 HG21 ILE 39 1HG2 ILE 39 4.793 7.133 1.456 328 HG22 ILE 39 2HG2 ILE 39 5.114 5.388 1.322 329 HG23 ILE 39 3HG2 ILE 39 3.565 6.054 0.754 330 HD11 ILE 39 1HD1 ILE 39 5.254 3.701 4.504 331 HD12 ILE 39 2HD1 ILE 39 5.391 4.049 2.763 332 HD13 ILE 39 3HD1 ILE 39 6.653 4.610 3.885 333 H ASP 40 H ASP 40 4.600 8.508 4.419 334 HA ASP 40 HA ASP 40 3.980 10.835 2.860 335 HB2 ASP 40 2HB ASP 40 5.691 11.926 4.344 336 HB3 ASP 40 3HB ASP 40 4.397 11.154 5.238 337 HD2 ASP 40 HD ASP 40 6.053 9.699 7.225 338 H ALA 41 H ALA 41 6.578 8.397 3.382 339 HA ALA 41 HA ALA 41 8.033 9.571 1.111 340 HB1 ALA 41 1HB ALA 41 9.289 9.772 3.201 341 HB2 ALA 41 2HB ALA 41 9.064 8.037 3.532 342 HB3 ALA 41 3HB ALA 41 10.060 8.559 2.151 343 H CYS 42 H CYS 42 9.217 7.929 -0.238 344 HA CYS 42 HA CYS 42 7.470 5.646 -0.593 345 HB2 CYS 42 2HB CYS 42 8.144 7.207 -2.469 346 HB3 CYS 42 3HB CYS 42 9.755 6.525 -2.360 347 HA PRO 43 HA PRO 43 10.338 3.360 1.934 348 HB2 PRO 43 2HB PRO 43 8.760 1.096 0.753 349 HB3 PRO 43 3HB PRO 43 9.197 1.359 2.404 350 HG2 PRO 43 2HG PRO 43 6.689 1.946 1.631 351 HG3 PRO 43 3HG PRO 43 7.528 3.079 2.688 352 HD2 PRO 43 2HD PRO 43 7.106 3.315 -0.301 353 HD3 PRO 43 3HD PRO 43 6.955 4.541 0.917 354 H LYS 44 H LYS 44 11.560 1.054 1.741 355 HA LYS 44 HA LYS 44 13.079 1.281 -0.759 356 HB2 LYS 44 2HB LYS 44 14.004 1.565 1.777 357 HB3 LYS 44 3HB LYS 44 14.242 -0.158 1.561 358 HG2 LYS 44 2HG LYS 44 15.069 1.490 -0.780 359 HG3 LYS 44 3HG LYS 44 15.990 1.800 0.678 360 HD2 LYS 44 2HD LYS 44 15.562 -1.086 0.220 361 HD3 LYS 44 3HD LYS 44 16.402 -0.319 -1.113 362 HE2 LYS 44 2HE LYS 44 18.309 -0.035 0.109 363 HE3 LYS 44 3HE LYS 44 17.434 0.601 1.487 364 HZ1 LYS 44 1HZ LYS 44 18.525 -1.523 1.917 365 HZ2 LYS 44 2HZ LYS 44 16.912 -1.607 2.158 366 HZ3 LYS 44 3HZ LYS 44 17.571 -2.255 0.811 367 H ASN 45 H ASN 45 12.557 -0.232 -2.238 368 HA ASN 45 HA ASN 45 10.953 -2.361 -1.764 369 HB2 ASN 45 2HB ASN 45 11.896 -3.286 -3.931 370 HB3 ASN 45 3HB ASN 45 11.439 -1.598 -4.041 371 HD21 ASN 45 1HD2 ASN 45 12.836 -0.265 -4.890 372 HD22 ASN 45 2HD2 ASN 45 14.551 -0.477 -5.016 373 H SER 46 H SER 46 11.424 -4.713 -1.581 374 HA SER 46 HA SER 46 14.156 -5.278 -0.761 375 HB2 SER 46 2HB SER 46 11.883 -6.630 0.682 376 HB3 SER 46 3HB SER 46 13.517 -6.326 1.236 377 HG SER 46 HG SER 46 11.703 -4.146 0.728 378 H LEU 47 H LEU 47 14.341 -7.874 -0.519 379 HA LEU 47 HA LEU 47 13.472 -8.886 -3.068 380 HB2 LEU 47 2HB LEU 47 14.879 -10.797 -2.508 381 HB3 LEU 47 3HB LEU 47 15.731 -9.271 -2.388 382 HG LEU 47 HG LEU 47 14.540 -10.349 0.122 383 HD11 LEU 47 1HD1 LEU 47 16.789 -11.670 -1.375 384 HD12 LEU 47 2HD1 LEU 47 16.735 -11.690 0.403 385 HD13 LEU 47 3HD1 LEU 47 15.402 -12.403 -0.534 386 HD21 LEU 47 1HD2 LEU 47 17.229 -9.560 0.437 387 HD22 LEU 47 2HD2 LEU 47 16.483 -8.382 -0.669 388 HD23 LEU 47 3HD2 LEU 47 15.759 -8.683 0.929 389 H LEU 48 H LEU 48 12.691 -9.260 0.395 390 HA LEU 48 HA LEU 48 10.941 -11.488 -0.167 391 HB2 LEU 48 2HB LEU 48 12.139 -10.207 2.180 392 HB3 LEU 48 3HB LEU 48 10.473 -10.693 2.424 393 HG LEU 48 HG LEU 48 12.122 -12.395 3.141 394 HD11 LEU 48 1HD1 LEU 48 9.990 -13.261 2.736 395 HD12 LEU 48 2HD1 LEU 48 10.135 -13.057 0.973 396 HD13 LEU 48 3HD1 LEU 48 11.073 -14.322 1.804 397 HD21 LEU 48 1HD2 LEU 48 13.925 -12.731 1.886 398 HD22 LEU 48 2HD2 LEU 48 12.884 -13.641 0.766 399 HD23 LEU 48 3HD2 LEU 48 13.192 -11.911 0.487 400 H VAL 49 H VAL 49 10.632 -8.090 1.081 401 HA VAL 49 HA VAL 49 7.850 -8.180 0.136 402 HB VAL 49 HB VAL 49 8.210 -7.972 2.592 403 HG11 VAL 49 1HG1 VAL 49 8.931 -5.142 2.524 404 HG12 VAL 49 2HG1 VAL 49 9.581 -6.466 3.521 405 HG13 VAL 49 3HG1 VAL 49 10.222 -6.188 1.884 406 HG21 VAL 49 1HG2 VAL 49 6.910 -5.547 2.522 407 HG22 VAL 49 2HG2 VAL 49 6.653 -6.164 0.872 408 HG23 VAL 49 3HG2 VAL 49 6.147 -7.136 2.275 409 H LYS 50 H LYS 50 7.243 -6.757 -1.441 410 HA LYS 50 HA LYS 50 9.300 -4.833 -2.260 411 HB2 LYS 50 2HB LYS 50 8.379 -6.794 -3.775 412 HB3 LYS 50 3HB LYS 50 7.046 -5.690 -4.042 413 HG2 LYS 50 2HG LYS 50 9.672 -4.348 -4.231 414 HG3 LYS 50 3HG LYS 50 9.508 -5.658 -5.384 415 HD2 LYS 50 2HD LYS 50 7.162 -3.796 -5.106 416 HD3 LYS 50 3HD LYS 50 8.597 -3.149 -5.876 417 HE2 LYS 50 2HE LYS 50 7.916 -5.853 -6.858 418 HE3 LYS 50 3HE LYS 50 6.623 -4.701 -7.122 419 HZ1 LYS 50 1HZ LYS 50 8.768 -3.302 -7.845 420 HZ2 LYS 50 2HZ LYS 50 9.222 -4.802 -8.304 421 HZ3 LYS 50 3HZ LYS 50 7.838 -4.155 -8.883 422 H TYR 51 H TYR 51 8.880 -2.672 -2.170 423 HA TYR 51 HA TYR 51 6.186 -1.943 -1.267 424 HB2 TYR 51 2HB TYR 51 8.968 -0.616 -1.222 425 HB3 TYR 51 3HB TYR 51 7.531 0.176 -0.611 426 HD1 TYR 51 1HD TYR 51 6.504 -0.518 1.498 427 HD2 TYR 51 2HD TYR 51 9.993 -2.487 -0.005 428 HE1 TYR 51 1HE TYR 51 6.885 -1.594 3.770 429 HE2 TYR 51 2HE TYR 51 10.361 -3.555 2.273 430 HH TYR 51 HH TYR 51 8.457 -2.605 5.039 431 H VAL 52 H VAL 52 4.840 -0.876 -2.629 432 HA VAL 52 HA VAL 52 6.097 0.495 -4.907 433 HB VAL 52 HB VAL 52 3.680 -1.284 -4.740 434 HG11 VAL 52 1HG1 VAL 52 4.275 0.705 -6.958 435 HG12 VAL 52 2HG1 VAL 52 2.993 -0.530 -6.969 436 HG13 VAL 52 3HG1 VAL 52 2.930 0.808 -5.797 437 HG21 VAL 52 1HG2 VAL 52 6.103 -1.158 -6.563 438 HG22 VAL 52 2HG2 VAL 52 5.731 -2.395 -5.338 439 HG23 VAL 52 3HG2 VAL 52 4.723 -2.258 -6.799 440 H CYS 53 H CYS 53 5.510 2.611 -5.233 441 HA CYS 53 HA CYS 53 3.453 3.615 -3.403 442 HB2 CYS 53 2HB CYS 53 5.604 5.334 -4.596 443 HB3 CYS 53 3HB CYS 53 4.611 5.632 -3.183 444 H CYS 54 H CYS 54 2.090 5.398 -4.301 445 HA CYS 54 HA CYS 54 2.230 5.799 -7.145 446 HB2 CYS 54 2HB CYS 54 -0.351 5.210 -7.168 447 HB3 CYS 54 3HB CYS 54 0.892 4.035 -7.553 448 H ASN 55 H ASN 55 0.728 7.599 -7.783 449 HA ASN 55 HA ASN 55 0.001 9.160 -5.429 450 HB2 ASN 55 2HB ASN 55 0.409 11.188 -6.857 451 HB3 ASN 55 3HB ASN 55 1.856 10.215 -6.681 452 HD21 ASN 55 1HD2 ASN 55 1.902 11.882 -8.685 453 HD22 ASN 55 2HD2 ASN 55 1.670 11.123 -10.225 454 H THR 56 H THR 56 -1.691 7.164 -6.761 455 HA THR 56 HA THR 56 -3.671 8.925 -8.053 456 HB THR 56 HB THR 56 -4.348 6.496 -8.993 457 HG1 THR 56 1HG THR 56 -2.441 5.178 -9.025 458 HG21 THR 56 1HG2 THR 56 -2.556 8.603 -9.952 459 HG22 THR 56 2HG2 THR 56 -1.980 7.007 -10.491 460 HG23 THR 56 3HG2 THR 56 -3.629 7.540 -10.895 461 H ASP 57 H ASP 57 -5.975 8.094 -7.800 462 HA ASP 57 HA ASP 57 -6.367 7.786 -5.005 463 HB2 ASP 57 2HB ASP 57 -8.580 8.386 -5.440 464 HB3 ASP 57 3HB ASP 57 -7.774 9.110 -6.818 465 HD2 ASP 57 HD ASP 57 -8.216 8.031 -8.906 466 H ARG 58 H ARG 58 -7.270 5.912 -3.950 467 HA ARG 58 HA ARG 58 -7.424 3.769 -3.608 468 HB2 ARG 58 2HB ARG 58 -9.277 4.384 -5.870 469 HB3 ARG 58 3HB ARG 58 -8.950 2.677 -5.646 470 HG2 ARG 58 2HG ARG 58 -10.277 2.594 -3.807 471 HG3 ARG 58 3HG ARG 58 -9.402 3.909 -3.050 472 HD2 ARG 58 2HD ARG 58 -11.490 4.918 -3.256 473 HD3 ARG 58 3HD ARG 58 -10.789 5.409 -4.786 474 HE ARG 58 HE ARG 58 -11.941 2.959 -5.380 475 HH11 ARG 58 1HH1 ARG 58 -15.298 3.836 -5.753 476 HH12 ARG 58 2HH1 ARG 58 -14.080 2.665 -6.130 477 HH21 ARG 58 1HH2 ARG 58 -14.758 5.704 -4.485 478 HH22 ARG 58 2HH2 ARG 58 -13.137 5.928 -3.917 479 H CYS 59 H CYS 59 -5.071 4.591 -5.217 480 HA CYS 59 HA CYS 59 -4.666 2.874 -7.370 481 HB2 CYS 59 2HB CYS 59 -2.428 3.553 -7.331 482 HB3 CYS 59 3HB CYS 59 -3.359 4.940 -6.803 483 H ASN 60 H ASN 60 -3.781 2.673 -3.853 484 HA ASN 60 HA ASN 60 -3.076 -0.104 -4.299 485 HB2 ASN 60 2HB ASN 60 -1.904 0.012 -2.172 486 HB3 ASN 60 3HB ASN 60 -1.495 1.474 -3.049 487 HD21 ASN 60 1HD2 ASN 60 -3.726 0.122 -0.655 488 HD22 ASN 60 2HD2 ASN 60 -3.977 1.566 0.267 Start of MODEL 11 1 H1 LEU 1 H LEU 1 -4.981 13.153 0.203 2 HA LEU 1 HA LEU 1 -6.087 11.993 -2.259 3 HB2 LEU 1 2HB LEU 1 -3.545 12.476 -2.105 4 HB3 LEU 1 3HB LEU 1 -3.502 11.102 -1.017 5 HG LEU 1 HG LEU 1 -4.914 10.095 -3.165 6 HD11 LEU 1 1HD1 LEU 1 -3.849 12.438 -4.162 7 HD12 LEU 1 2HD1 LEU 1 -2.660 11.209 -4.659 8 HD13 LEU 1 3HD1 LEU 1 -4.372 11.029 -5.117 9 HD21 LEU 1 1HD2 LEU 1 -3.397 8.554 -2.654 10 HD22 LEU 1 2HD2 LEU 1 -2.242 9.448 -3.671 11 HD23 LEU 1 3HD2 LEU 1 -2.317 9.765 -1.922 12 H LYS 2 H LYS 2 -6.764 9.767 -2.128 13 HA LYS 2 HA LYS 2 -7.094 8.849 0.642 14 HB2 LYS 2 2HB LYS 2 -9.120 8.964 -1.596 15 HB3 LYS 2 3HB LYS 2 -9.299 7.862 -0.245 16 HG2 LYS 2 2HG LYS 2 -9.724 9.558 1.274 17 HG3 LYS 2 3HG LYS 2 -8.644 10.689 0.485 18 HD2 LYS 2 2HD LYS 2 -10.293 11.063 -1.323 19 HD3 LYS 2 3HD LYS 2 -11.356 9.847 -0.642 20 HE2 LYS 2 2HE LYS 2 -10.540 11.978 1.276 21 HE3 LYS 2 3HE LYS 2 -11.497 12.549 -0.074 22 HZ1 LYS 2 1HZ LYS 2 -13.168 11.853 1.196 23 HZ2 LYS 2 2HZ LYS 2 -12.822 10.363 0.622 24 HZ3 LYS 2 3HZ LYS 2 -12.257 10.827 2.082 25 H CYS 3 H CYS 3 -6.870 6.607 1.002 26 HA CYS 3 HA CYS 3 -5.939 5.125 -1.348 27 HB2 CYS 3 2HB CYS 3 -4.812 4.509 1.341 28 HB3 CYS 3 3HB CYS 3 -4.121 4.254 -0.249 29 H ASN 4 H ASN 4 -6.476 2.823 -1.299 30 HA ASN 4 HA ASN 4 -8.936 2.358 -0.013 31 HB2 ASN 4 2HB ASN 4 -7.835 1.372 -2.269 32 HB3 ASN 4 3HB ASN 4 -7.270 0.116 -1.186 33 HD21 ASN 4 1HD2 ASN 4 -10.216 2.010 -1.840 34 HD22 ASN 4 2HD2 ASN 4 -11.347 0.703 -1.732 35 H LYS 5 H LYS 5 -9.259 0.236 1.339 36 HA LYS 5 HA LYS 5 -7.133 0.144 3.328 37 HB2 LYS 5 2HB LYS 5 -9.996 -0.859 3.390 38 HB3 LYS 5 3HB LYS 5 -8.857 -0.985 4.717 39 HG2 LYS 5 2HG LYS 5 -9.020 1.754 3.611 40 HG3 LYS 5 3HG LYS 5 -10.560 1.181 4.220 41 HD2 LYS 5 2HD LYS 5 -7.968 1.007 5.823 42 HD3 LYS 5 3HD LYS 5 -9.070 2.365 5.934 43 HE2 LYS 5 2HE LYS 5 -10.685 0.021 6.208 44 HE3 LYS 5 3HE LYS 5 -9.267 -0.250 7.202 45 HZ1 LYS 5 1HZ LYS 5 -9.906 2.301 7.737 46 HZ2 LYS 5 2HZ LYS 5 -11.378 1.618 7.562 47 HZ3 LYS 5 3HZ LYS 5 -10.325 1.018 8.656 48 H LEU 6 H LEU 6 -7.564 -2.416 4.400 49 HA LEU 6 HA LEU 6 -6.031 -3.950 2.588 50 HB2 LEU 6 2HB LEU 6 -6.236 -3.896 5.231 51 HB3 LEU 6 3HB LEU 6 -7.410 -5.163 4.938 52 HG LEU 6 HG LEU 6 -4.527 -5.214 4.002 53 HD11 LEU 6 1HD1 LEU 6 -5.217 -5.415 6.566 54 HD12 LEU 6 2HD1 LEU 6 -5.558 -7.092 6.076 55 HD13 LEU 6 3HD1 LEU 6 -3.930 -6.409 5.844 56 HD21 LEU 6 1HD2 LEU 6 -6.806 -6.725 3.169 57 HD22 LEU 6 2HD2 LEU 6 -5.109 -6.872 2.655 58 HD23 LEU 6 3HD2 LEU 6 -5.698 -7.799 4.055 59 H ILE 7 H ILE 7 -9.492 -3.848 3.536 60 HA ILE 7 HA ILE 7 -10.007 -6.024 1.657 61 HB ILE 7 HB ILE 7 -11.702 -4.734 3.794 62 HG12 ILE 7 2HG1 ILE 7 -10.285 -7.398 3.591 63 HG13 ILE 7 3HG1 ILE 7 -10.022 -6.128 4.770 64 HG21 ILE 7 1HG2 ILE 7 -12.598 -7.224 2.448 65 HG22 ILE 7 2HG2 ILE 7 -13.538 -5.872 3.122 66 HG23 ILE 7 3HG2 ILE 7 -12.760 -5.707 1.530 67 HD11 ILE 7 1HD1 ILE 7 -12.676 -7.602 4.455 68 HD12 ILE 7 2HD1 ILE 7 -11.415 -8.063 5.624 69 HD13 ILE 7 3HD1 ILE 7 -12.220 -6.480 5.760 70 HA PRO 8 HA PRO 8 -10.611 -2.870 -1.390 71 HB2 PRO 8 2HB PRO 8 -11.877 -5.249 -2.729 72 HB3 PRO 8 3HB PRO 8 -10.800 -4.081 -3.407 73 HG2 PRO 8 2HG PRO 8 -9.815 -6.475 -2.670 74 HG3 PRO 8 3HG PRO 8 -8.887 -5.028 -2.284 75 HD2 PRO 8 2HD PRO 8 -10.595 -6.673 -0.422 76 HD3 PRO 8 3HD PRO 8 -9.069 -5.910 -0.109 77 H LEU 9 H LEU 9 -12.223 -1.797 0.184 78 HA LEU 9 HA LEU 9 -14.530 -1.199 -1.264 79 HB2 LEU 9 2HB LEU 9 -16.238 -2.333 -0.304 80 HB3 LEU 9 3HB LEU 9 -14.994 -3.568 -0.281 81 HG LEU 9 HG LEU 9 -14.533 -2.579 2.146 82 HD11 LEU 9 1HD1 LEU 9 -17.406 -1.814 1.583 83 HD12 LEU 9 2HD1 LEU 9 -16.739 -2.016 3.221 84 HD13 LEU 9 3HD1 LEU 9 -16.076 -0.769 2.139 85 HD21 LEU 9 1HD2 LEU 9 -16.929 -4.262 2.243 86 HD22 LEU 9 2HD2 LEU 9 -15.683 -4.860 1.120 87 HD23 LEU 9 3HD2 LEU 9 -15.277 -4.571 2.829 88 H ALA 10 H ALA 10 -12.789 -1.366 1.860 89 HA ALA 10 HA ALA 10 -14.023 1.147 2.670 90 HB1 ALA 10 1HB ALA 10 -12.291 -0.942 4.025 91 HB2 ALA 10 2HB ALA 10 -12.608 0.644 4.767 92 HB3 ALA 10 3HB ALA 10 -13.959 -0.460 4.414 93 H TYR 11 H TYR 11 -12.759 3.041 3.135 94 HA TYR 11 HA TYR 11 -9.985 2.977 2.246 95 HB2 TYR 11 2HB TYR 11 -10.514 4.960 0.763 96 HB3 TYR 11 3HB TYR 11 -11.422 3.548 0.259 97 HD1 TYR 11 1HD TYR 11 -11.725 6.633 2.354 98 HD2 TYR 11 2HD TYR 11 -13.754 3.667 0.032 99 HE1 TYR 11 1HE TYR 11 -13.892 7.948 2.554 100 HE2 TYR 11 2HE TYR 11 -15.914 4.991 0.241 101 HH TYR 11 HH TYR 11 -15.941 8.160 1.803 102 H LYS 12 H LYS 12 -8.867 5.107 2.750 103 HA LYS 12 HA LYS 12 -10.213 6.756 4.692 104 HB2 LYS 12 2HB LYS 12 -8.675 6.352 6.504 105 HB3 LYS 12 3HB LYS 12 -9.454 4.847 6.058 106 HG2 LYS 12 2HG LYS 12 -7.348 3.982 5.948 107 HG3 LYS 12 3HG LYS 12 -7.227 4.810 4.409 108 HD2 LYS 12 2HD LYS 12 -6.506 6.892 5.886 109 HD3 LYS 12 3HD LYS 12 -6.175 5.685 7.113 110 HE2 LYS 12 2HE LYS 12 -4.734 4.449 5.410 111 HE3 LYS 12 3HE LYS 12 -4.969 5.791 4.308 112 HZ1 LYS 12 1HZ LYS 12 -3.366 6.845 5.353 113 HZ2 LYS 12 2HZ LYS 12 -4.192 6.819 6.763 114 HZ3 LYS 12 3HZ LYS 12 -3.162 5.606 6.396 115 H THR 13 H THR 13 -9.333 8.828 4.772 116 HA THR 13 HA THR 13 -7.642 9.523 2.601 117 HB THR 13 HB THR 13 -8.751 11.023 5.029 118 HG1 THR 13 1HG THR 13 -10.418 10.629 3.581 119 HG21 THR 13 1HG2 THR 13 -7.404 12.768 4.409 120 HG22 THR 13 2HG2 THR 13 -6.778 11.856 3.016 121 HG23 THR 13 3HG2 THR 13 -8.285 12.790 2.863 122 H CYS 14 H CYS 14 -5.522 10.349 2.575 123 HA CYS 14 HA CYS 14 -3.897 9.151 4.636 124 HB2 CYS 14 2HB CYS 14 -3.010 10.647 2.167 125 HB3 CYS 14 3HB CYS 14 -2.025 9.626 3.196 126 HA PRO 15 HA PRO 15 -3.990 12.878 7.014 127 HB2 PRO 15 2HB PRO 15 -1.400 11.712 8.010 128 HB3 PRO 15 3HB PRO 15 -2.695 12.394 8.929 129 HG2 PRO 15 2HG PRO 15 -2.506 9.717 8.768 130 HG3 PRO 15 3HG PRO 15 -4.095 10.454 8.598 131 HD2 PRO 15 2HD PRO 15 -2.322 9.372 6.408 132 HD3 PRO 15 3HD PRO 15 -4.045 9.243 6.576 133 H ALA 16 H ALA 16 -2.232 14.581 7.966 134 HA ALA 16 HA ALA 16 -1.437 16.053 5.706 135 HB1 ALA 16 1HB ALA 16 -0.854 17.705 7.263 136 HB2 ALA 16 2HB ALA 16 -2.103 16.779 8.131 137 HB3 ALA 16 3HB ALA 16 -0.382 16.513 8.499 138 H GLY 17 H GLY 17 0.370 15.901 4.474 139 HA2 GLY 17 1HA GLY 17 2.716 15.809 4.283 140 HA3 GLY 17 2HA GLY 17 2.803 14.804 5.715 141 H LYS 18 H LYS 18 0.434 13.121 4.829 142 HA LYS 18 HA LYS 18 1.982 11.355 3.140 143 HB2 LYS 18 2HB LYS 18 -0.539 11.073 4.773 144 HB3 LYS 18 3HB LYS 18 -0.076 9.853 3.605 145 HG2 LYS 18 2HG LYS 18 2.228 9.790 4.750 146 HG3 LYS 18 3HG LYS 18 1.542 10.795 6.012 147 HD2 LYS 18 2HD LYS 18 -0.281 8.603 5.524 148 HD3 LYS 18 3HD LYS 18 1.332 7.939 5.697 149 HE2 LYS 18 2HE LYS 18 0.730 10.046 7.693 150 HE3 LYS 18 3HE LYS 18 -0.355 8.674 7.798 151 HZ1 LYS 18 1HZ LYS 18 2.158 8.790 8.782 152 HZ2 LYS 18 2HZ LYS 18 1.267 7.432 8.600 153 HZ3 LYS 18 3HZ LYS 18 2.334 7.869 7.444 154 H ASN 19 H ASN 19 1.986 11.902 1.008 155 HA ASN 19 HA ASN 19 -0.643 12.471 -0.121 156 HB2 ASN 19 2HB ASN 19 0.415 13.946 -1.742 157 HB3 ASN 19 3HB ASN 19 1.030 14.406 -0.167 158 HD21 ASN 19 1HD2 ASN 19 3.111 13.706 0.493 159 HD22 ASN 19 2HD2 ASN 19 4.346 13.323 -0.660 160 H LEU 20 H LEU 20 1.485 10.055 0.306 161 HA LEU 20 HA LEU 20 0.991 8.944 -2.343 162 HB2 LEU 20 2HB LEU 20 3.681 9.277 -1.044 163 HB3 LEU 20 3HB LEU 20 3.376 7.980 -2.181 164 HG LEU 20 HG LEU 20 2.511 10.579 -3.211 165 HD11 LEU 20 1HD1 LEU 20 5.440 10.224 -2.514 166 HD12 LEU 20 2HD1 LEU 20 4.775 11.485 -3.580 167 HD13 LEU 20 3HD1 LEU 20 4.325 11.447 -1.858 168 HD21 LEU 20 1HD2 LEU 20 4.322 8.361 -4.189 169 HD22 LEU 20 2HD2 LEU 20 2.647 8.714 -4.679 170 HD23 LEU 20 3HD2 LEU 20 3.960 9.828 -5.129 171 H CYS 21 H CYS 21 0.321 6.835 -2.260 172 HA CYS 21 HA CYS 21 0.297 5.666 0.415 173 HB2 CYS 21 2HB CYS 21 -1.338 4.661 -1.891 174 HB3 CYS 21 3HB CYS 21 -1.621 4.476 -0.171 175 H TYR 22 H TYR 22 0.925 3.393 0.646 176 HA TYR 22 HA TYR 22 2.458 2.367 -1.644 177 HB2 TYR 22 2HB TYR 22 4.293 2.034 -0.165 178 HB3 TYR 22 3HB TYR 22 3.603 3.482 0.542 179 HD1 TYR 22 1HD TYR 22 3.455 -0.251 0.805 180 HD2 TYR 22 2HD TYR 22 3.007 3.504 2.805 181 HE1 TYR 22 1HE TYR 22 3.178 -1.459 3.025 182 HE2 TYR 22 2HE TYR 22 2.731 2.284 5.019 183 HH TYR 22 HH TYR 22 2.131 0.199 5.860 184 H LYS 23 H LYS 23 2.842 -0.028 -1.519 185 HA LYS 23 HA LYS 23 0.855 -1.389 0.135 186 HB2 LYS 23 2HB LYS 23 -0.020 -2.641 -1.707 187 HB3 LYS 23 3HB LYS 23 -0.153 -0.939 -2.098 188 HG2 LYS 23 2HG LYS 23 2.060 -1.146 -3.367 189 HG3 LYS 23 3HG LYS 23 1.975 -2.879 -3.109 190 HD2 LYS 23 2HD LYS 23 1.019 -2.506 -5.277 191 HD3 LYS 23 3HD LYS 23 -0.339 -2.829 -4.217 192 HE2 LYS 23 2HE LYS 23 -0.295 -0.155 -3.913 193 HE3 LYS 23 3HE LYS 23 0.517 -0.216 -5.464 194 HZ1 LYS 23 1HZ LYS 23 -1.879 -0.064 -5.668 195 HZ2 LYS 23 2HZ LYS 23 -1.325 -1.444 -6.342 196 HZ3 LYS 23 3HZ LYS 23 -2.071 -1.487 -4.889 197 H MET 24 H MET 24 1.645 -3.219 1.081 198 HA MET 24 HA MET 24 4.342 -3.937 0.271 199 HB2 MET 24 2HB MET 24 3.052 -3.510 2.787 200 HB3 MET 24 3HB MET 24 3.322 -5.239 2.705 201 HG2 MET 24 2HG MET 24 5.758 -4.684 2.011 202 HG3 MET 24 3HG MET 24 5.411 -3.030 2.468 203 HE1 MET 24 1HE MET 24 3.382 -3.471 5.064 204 HE2 MET 24 2HE MET 24 4.703 -3.161 6.216 205 HE3 MET 24 3HE MET 24 4.626 -2.257 4.685 206 H PHE 25 H PHE 25 4.785 -5.903 -0.668 207 HA PHE 25 HA PHE 25 2.625 -7.891 -0.577 208 HB2 PHE 25 2HB PHE 25 4.489 -6.863 -2.775 209 HB3 PHE 25 3HB PHE 25 3.803 -8.470 -2.910 210 HD1 PHE 25 1HD PHE 25 2.489 -5.098 -1.950 211 HD2 PHE 25 2HD PHE 25 2.023 -8.563 -4.355 212 HE1 PHE 25 1HE PHE 25 0.405 -4.123 -2.954 213 HE2 PHE 25 2HE PHE 25 -0.060 -7.587 -5.359 214 HZ PHE 25 HZ PHE 25 -0.843 -5.378 -4.646 215 H MET 26 H MET 26 3.252 -10.106 -0.443 216 HA MET 26 HA MET 26 6.014 -10.400 0.434 217 HB2 MET 26 2HB MET 26 3.432 -11.941 1.006 218 HB3 MET 26 3HB MET 26 4.997 -12.595 1.442 219 HG2 MET 26 2HG MET 26 4.353 -9.772 2.306 220 HG3 MET 26 3HG MET 26 3.580 -11.091 3.162 221 HE1 MET 26 1HE MET 26 5.301 -10.815 5.747 222 HE2 MET 26 2HE MET 26 6.493 -9.599 5.230 223 HE3 MET 26 3HE MET 26 4.793 -9.449 4.726 224 H VAL 27 H VAL 27 7.373 -11.984 -0.471 225 HA VAL 27 HA VAL 27 7.091 -12.632 -3.090 226 HB VAL 27 HB VAL 27 9.019 -12.886 -1.295 227 HG11 VAL 27 1HG1 VAL 27 7.999 -15.733 -1.586 228 HG12 VAL 27 2HG1 VAL 27 9.536 -15.246 -0.832 229 HG13 VAL 27 3HG1 VAL 27 7.990 -14.761 -0.096 230 HG21 VAL 27 1HG2 VAL 27 10.014 -14.661 -3.048 231 HG22 VAL 27 2HG2 VAL 27 8.595 -14.117 -3.975 232 HG23 VAL 27 3HG2 VAL 27 9.810 -12.935 -3.431 233 H SER 28 H SER 28 5.652 -14.208 -0.249 234 HA SER 28 HA SER 28 5.077 -16.653 -1.198 235 HB2 SER 28 2HB SER 28 3.126 -14.887 0.343 236 HB3 SER 28 3HB SER 28 3.132 -16.639 0.315 237 HG SER 28 HG SER 28 5.593 -16.043 1.051 238 H ASN 29 H ASN 29 3.476 -13.533 -1.982 239 HA ASN 29 HA ASN 29 2.513 -14.629 -4.393 240 HB2 ASN 29 2HB ASN 29 0.774 -15.357 -2.596 241 HB3 ASN 29 3HB ASN 29 0.373 -13.658 -2.438 242 HD21 ASN 29 1HD2 ASN 29 -1.745 -14.465 -3.102 243 HD22 ASN 29 2HD2 ASN 29 -2.128 -14.586 -4.786 244 H LYS 30 H LYS 30 3.642 -12.795 -5.296 245 HA LYS 30 HA LYS 30 3.200 -10.174 -4.259 246 HB2 LYS 30 2HB LYS 30 5.028 -11.481 -6.047 247 HB3 LYS 30 3HB LYS 30 4.345 -10.092 -6.867 248 HG2 LYS 30 2HG LYS 30 4.876 -8.698 -4.798 249 HG3 LYS 30 3HG LYS 30 5.700 -10.094 -4.130 250 HD2 LYS 30 2HD LYS 30 6.426 -9.025 -6.884 251 HD3 LYS 30 3HD LYS 30 7.114 -8.316 -5.435 252 HE2 LYS 30 2HE LYS 30 8.082 -10.471 -4.764 253 HE3 LYS 30 3HE LYS 30 7.253 -11.302 -6.065 254 HZ1 LYS 30 1HZ LYS 30 8.634 -9.272 -7.256 255 HZ2 LYS 30 2HZ LYS 30 9.672 -9.879 -6.152 256 HZ3 LYS 30 3HZ LYS 30 9.017 -10.860 -7.281 257 H THR 31 H THR 31 1.212 -12.265 -5.924 258 HA THR 31 HA THR 31 0.128 -10.331 -7.781 259 HB THR 31 HB THR 31 -0.570 -13.198 -6.969 260 HG1 THR 31 1HG THR 31 1.387 -12.689 -8.271 261 HG21 THR 31 1HG2 THR 31 -2.179 -11.238 -8.417 262 HG22 THR 31 2HG2 THR 31 -1.627 -12.512 -9.532 263 HG23 THR 31 3HG2 THR 31 -2.554 -12.944 -8.074 264 H VAL 32 H VAL 32 -0.195 -11.076 -4.431 265 HA VAL 32 HA VAL 32 -2.518 -9.320 -4.351 266 HB VAL 32 HB VAL 32 -2.372 -12.149 -3.374 267 HG11 VAL 32 1HG1 VAL 32 -2.788 -10.831 -1.349 268 HG12 VAL 32 2HG1 VAL 32 -4.130 -9.988 -2.161 269 HG13 VAL 32 3HG1 VAL 32 -4.244 -11.734 -1.835 270 HG21 VAL 32 1HG2 VAL 32 -4.422 -10.449 -4.817 271 HG22 VAL 32 2HG2 VAL 32 -3.556 -11.884 -5.415 272 HG23 VAL 32 3HG2 VAL 32 -4.796 -12.056 -4.151 273 HA PRO 33 HA PRO 33 0.051 -7.560 -1.309 274 HB2 PRO 33 2HB PRO 33 -1.715 -5.777 -0.214 275 HB3 PRO 33 3HB PRO 33 -0.960 -5.546 -1.751 276 HG2 PRO 33 2HG PRO 33 -3.757 -6.591 -1.141 277 HG3 PRO 33 3HG PRO 33 -3.233 -5.495 -2.417 278 HD2 PRO 33 2HD PRO 33 -3.680 -8.160 -2.910 279 HD3 PRO 33 3HD PRO 33 -2.569 -7.202 -3.840 280 H VAL 34 H VAL 34 0.669 -7.388 0.892 281 HA VAL 34 HA VAL 34 -0.831 -9.232 2.602 282 HB VAL 34 HB VAL 34 1.344 -9.150 3.928 283 HG11 VAL 34 1HG1 VAL 34 0.565 -10.637 1.618 284 HG12 VAL 34 2HG1 VAL 34 2.325 -10.378 1.541 285 HG13 VAL 34 3HG1 VAL 34 1.599 -11.147 2.974 286 HG21 VAL 34 1HG2 VAL 34 2.649 -8.244 1.375 287 HG22 VAL 34 2HG2 VAL 34 2.065 -7.037 2.546 288 HG23 VAL 34 3HG2 VAL 34 3.279 -8.240 3.041 289 H LYS 35 H LYS 35 0.428 -5.907 2.271 290 HA LYS 35 HA LYS 35 -1.437 -5.028 4.253 291 HB2 LYS 35 2HB LYS 35 1.350 -5.516 5.000 292 HB3 LYS 35 3HB LYS 35 0.866 -3.857 5.281 293 HG2 LYS 35 2HG LYS 35 -0.915 -4.486 6.739 294 HG3 LYS 35 3HG LYS 35 -0.942 -6.136 6.149 295 HD2 LYS 35 2HD LYS 35 0.531 -6.772 7.750 296 HD3 LYS 35 3HD LYS 35 1.707 -5.611 7.169 297 HE2 LYS 35 2HE LYS 35 -0.606 -4.686 8.904 298 HE3 LYS 35 3HE LYS 35 0.809 -5.413 9.644 299 HZ1 LYS 35 1HZ LYS 35 1.857 -3.513 9.384 300 HZ2 LYS 35 2HZ LYS 35 1.642 -3.536 7.765 301 HZ3 LYS 35 3HZ LYS 35 0.528 -2.828 8.727 302 H ARG 36 H ARG 36 -1.449 -2.595 4.377 303 HA ARG 36 HA ARG 36 0.042 -1.282 2.339 304 HB2 ARG 36 2HB ARG 36 -1.777 -0.593 0.940 305 HB3 ARG 36 3HB ARG 36 -2.044 -2.307 1.193 306 HG2 ARG 36 2HG ARG 36 -3.375 -0.086 2.819 307 HG3 ARG 36 3HG ARG 36 -4.131 -0.930 1.482 308 HD2 ARG 36 2HD ARG 36 -4.887 -2.412 3.043 309 HD3 ARG 36 3HD ARG 36 -3.253 -3.047 3.064 310 HE ARG 36 HE ARG 36 -3.110 -2.251 5.244 311 HH11 ARG 36 1HH1 ARG 36 -4.527 0.520 6.823 312 HH12 ARG 36 2HH1 ARG 36 -3.497 -0.860 7.016 313 HH21 ARG 36 1HH2 ARG 36 -5.513 0.954 4.768 314 HH22 ARG 36 2HH2 ARG 36 -5.220 -0.101 3.426 315 H GLY 37 H GLY 37 -0.606 1.179 2.319 316 HA2 GLY 37 1HA GLY 37 -2.182 2.310 4.323 317 HA3 GLY 37 2HA GLY 37 -0.565 2.134 4.975 318 H CYS 38 H CYS 38 -1.033 4.653 4.924 319 HA CYS 38 HA CYS 38 -0.302 5.692 2.294 320 HB2 CYS 38 2HB CYS 38 -1.521 7.047 4.704 321 HB3 CYS 38 3HB CYS 38 -0.977 7.902 3.273 322 H ILE 39 H ILE 39 1.468 7.298 2.202 323 HA ILE 39 HA ILE 39 3.114 7.516 4.575 324 HB ILE 39 HB ILE 39 3.683 5.389 3.204 325 HG12 ILE 39 2HG1 ILE 39 5.916 7.316 3.892 326 HG13 ILE 39 3HG1 ILE 39 4.978 6.453 5.095 327 HG21 ILE 39 1HG2 ILE 39 3.920 7.247 1.152 328 HG22 ILE 39 2HG2 ILE 39 5.602 6.888 1.610 329 HG23 ILE 39 3HG2 ILE 39 4.505 5.565 1.145 330 HD11 ILE 39 1HD1 ILE 39 5.611 4.324 3.607 331 HD12 ILE 39 2HD1 ILE 39 6.951 5.373 3.088 332 HD13 ILE 39 3HD1 ILE 39 6.753 4.970 4.811 333 H ASP 40 H ASP 40 4.829 9.183 4.292 334 HA ASP 40 HA ASP 40 3.881 11.131 2.353 335 HB2 ASP 40 2HB ASP 40 5.202 12.757 3.827 336 HB3 ASP 40 3HB ASP 40 3.792 12.031 4.571 337 HD2 ASP 40 HD ASP 40 7.338 10.643 5.858 338 H ALA 41 H ALA 41 5.961 8.717 2.262 339 HA ALA 41 HA ALA 41 7.788 10.005 0.528 340 HB1 ALA 41 1HB ALA 41 8.565 9.519 3.374 341 HB2 ALA 41 2HB ALA 41 9.755 9.084 2.125 342 HB3 ALA 41 3HB ALA 41 9.141 10.751 2.226 343 H CYS 42 H CYS 42 7.914 8.505 -1.059 344 HA CYS 42 HA CYS 42 7.020 5.954 -0.875 345 HB2 CYS 42 2HB CYS 42 7.431 7.060 -2.980 346 HB3 CYS 42 3HB CYS 42 9.160 7.082 -2.688 347 HA PRO 43 HA PRO 43 10.190 4.401 1.845 348 HB2 PRO 43 2HB PRO 43 9.067 1.939 2.282 349 HB3 PRO 43 3HB PRO 43 8.556 3.377 3.090 350 HG2 PRO 43 2HG PRO 43 7.301 2.002 0.678 351 HG3 PRO 43 3HG PRO 43 6.514 2.762 2.059 352 HD2 PRO 43 2HD PRO 43 6.738 4.063 -0.347 353 HD3 PRO 43 3HD PRO 43 6.648 4.903 1.172 354 H LYS 44 H LYS 44 11.390 2.129 2.215 355 HA LYS 44 HA LYS 44 12.735 1.667 -0.312 356 HB2 LYS 44 2HB LYS 44 13.704 2.076 2.171 357 HB3 LYS 44 3HB LYS 44 13.616 0.327 2.197 358 HG2 LYS 44 2HG LYS 44 15.604 0.342 1.093 359 HG3 LYS 44 3HG LYS 44 14.699 0.826 -0.326 360 HD2 LYS 44 2HD LYS 44 15.331 3.073 1.514 361 HD3 LYS 44 3HD LYS 44 16.747 2.296 0.836 362 HE2 LYS 44 2HE LYS 44 16.346 3.125 -1.258 363 HE3 LYS 44 3HE LYS 44 14.641 2.725 -1.188 364 HZ1 LYS 44 1HZ LYS 44 14.138 4.729 -0.324 365 HZ2 LYS 44 2HZ LYS 44 15.552 4.911 0.473 366 HZ3 LYS 44 3HZ LYS 44 15.482 5.178 -1.137 367 H ASN 45 H ASN 45 12.633 -0.202 -1.500 368 HA ASN 45 HA ASN 45 10.576 -2.025 -0.692 369 HB2 ASN 45 2HB ASN 45 10.749 -2.906 -2.954 370 HB3 ASN 45 3HB ASN 45 10.873 -1.162 -3.083 371 HD21 ASN 45 1HD2 ASN 45 12.345 -0.504 -4.432 372 HD22 ASN 45 2HD2 ASN 45 13.872 -1.245 -4.777 373 H SER 46 H SER 46 10.983 -4.406 -0.580 374 HA SER 46 HA SER 46 13.778 -4.960 0.044 375 HB2 SER 46 2HB SER 46 11.430 -6.547 1.128 376 HB3 SER 46 3HB SER 46 13.071 -6.487 1.741 377 HG SER 46 HG SER 46 12.545 -4.070 2.084 378 H LEU 47 H LEU 47 14.159 -7.535 -0.110 379 HA LEU 47 HA LEU 47 13.594 -8.185 -2.833 380 HB2 LEU 47 2HB LEU 47 15.675 -8.880 -2.326 381 HB3 LEU 47 3HB LEU 47 15.297 -9.191 -0.642 382 HG LEU 47 HG LEU 47 13.980 -11.244 -1.532 383 HD11 LEU 47 1HD1 LEU 47 14.050 -10.570 -3.906 384 HD12 LEU 47 2HD1 LEU 47 15.818 -10.781 -3.897 385 HD13 LEU 47 3HD1 LEU 47 14.751 -12.181 -3.626 386 HD21 LEU 47 1HD2 LEU 47 16.095 -11.267 -0.204 387 HD22 LEU 47 2HD2 LEU 47 15.918 -12.637 -1.326 388 HD23 LEU 47 3HD2 LEU 47 17.001 -11.286 -1.735 389 H LEU 48 H LEU 48 12.809 -9.716 0.370 390 HA LEU 48 HA LEU 48 10.978 -11.516 -0.865 391 HB2 LEU 48 2HB LEU 48 12.363 -11.920 1.201 392 HB3 LEU 48 3HB LEU 48 11.277 -10.847 2.061 393 HG LEU 48 HG LEU 48 9.889 -12.985 0.592 394 HD11 LEU 48 1HD1 LEU 48 10.508 -14.787 2.127 395 HD12 LEU 48 2HD1 LEU 48 11.908 -14.229 1.180 396 HD13 LEU 48 3HD1 LEU 48 11.731 -13.734 2.880 397 HD21 LEU 48 1HD2 LEU 48 9.640 -11.430 3.060 398 HD22 LEU 48 2HD2 LEU 48 8.390 -12.153 2.021 399 HD23 LEU 48 3HD2 LEU 48 9.204 -13.144 3.255 400 H VAL 49 H VAL 49 10.808 -8.358 0.816 401 HA VAL 49 HA VAL 49 7.914 -8.373 0.318 402 HB VAL 49 HB VAL 49 9.538 -6.697 2.241 403 HG11 VAL 49 1HG1 VAL 49 6.540 -7.067 2.252 404 HG12 VAL 49 2HG1 VAL 49 7.518 -5.817 3.055 405 HG13 VAL 49 3HG1 VAL 49 7.321 -5.792 1.286 406 HG21 VAL 49 1HG2 VAL 49 8.974 -9.386 2.497 407 HG22 VAL 49 2HG2 VAL 49 9.299 -8.261 3.837 408 HG23 VAL 49 3HG2 VAL 49 7.620 -8.620 3.364 409 H LYS 50 H LYS 50 7.255 -7.215 -1.410 410 HA LYS 50 HA LYS 50 9.101 -5.205 -2.446 411 HB2 LYS 50 2HB LYS 50 8.237 -7.116 -3.880 412 HB3 LYS 50 3HB LYS 50 6.657 -6.366 -3.801 413 HG2 LYS 50 2HG LYS 50 8.748 -4.411 -4.486 414 HG3 LYS 50 3HG LYS 50 8.718 -5.744 -5.622 415 HD2 LYS 50 2HD LYS 50 6.023 -5.255 -5.379 416 HD3 LYS 50 3HD LYS 50 6.655 -3.644 -5.103 417 HE2 LYS 50 2HE LYS 50 7.516 -5.356 -7.479 418 HE3 LYS 50 3HE LYS 50 6.151 -4.262 -7.553 419 HZ1 LYS 50 1HZ LYS 50 8.908 -3.664 -7.626 420 HZ2 LYS 50 2HZ LYS 50 7.636 -2.724 -8.033 421 HZ3 LYS 50 3HZ LYS 50 8.149 -2.778 -6.484 422 H TYR 51 H TYR 51 8.599 -3.035 -2.541 423 HA TYR 51 HA TYR 51 5.979 -2.314 -1.405 424 HB2 TYR 51 2HB TYR 51 8.760 -0.986 -1.289 425 HB3 TYR 51 3HB TYR 51 7.324 -0.299 -0.561 426 HD1 TYR 51 1HD TYR 51 9.248 -3.527 -0.507 427 HD2 TYR 51 2HD TYR 51 7.009 -0.635 1.712 428 HE1 TYR 51 1HE TYR 51 9.721 -4.799 1.643 429 HE2 TYR 51 2HE TYR 51 7.489 -1.916 3.854 430 HH TYR 51 HH TYR 51 8.021 -4.278 4.456 431 H VAL 52 H VAL 52 4.668 -1.292 -2.826 432 HA VAL 52 HA VAL 52 5.981 0.167 -5.014 433 HB VAL 52 HB VAL 52 3.350 -1.313 -4.877 434 HG11 VAL 52 1HG1 VAL 52 3.828 1.022 -6.325 435 HG12 VAL 52 2HG1 VAL 52 4.090 -0.284 -7.505 436 HG13 VAL 52 3HG1 VAL 52 2.545 -0.174 -6.628 437 HG21 VAL 52 1HG2 VAL 52 6.030 -1.856 -6.049 438 HG22 VAL 52 2HG2 VAL 52 4.800 -2.977 -5.417 439 HG23 VAL 52 3HG2 VAL 52 4.620 -2.287 -7.048 440 H CYS 53 H CYS 53 5.526 2.325 -5.272 441 HA CYS 53 HA CYS 53 3.630 3.418 -3.328 442 HB2 CYS 53 2HB CYS 53 5.705 5.089 -4.687 443 HB3 CYS 53 3HB CYS 53 4.912 5.334 -3.143 444 H CYS 54 H CYS 54 2.252 5.223 -4.111 445 HA CYS 54 HA CYS 54 2.193 5.648 -6.956 446 HB2 CYS 54 2HB CYS 54 -0.384 5.151 -6.827 447 HB3 CYS 54 3HB CYS 54 0.779 3.905 -7.235 448 H ASN 55 H ASN 55 0.752 7.521 -7.471 449 HA ASN 55 HA ASN 55 0.166 9.051 -5.057 450 HB2 ASN 55 2HB ASN 55 0.692 11.107 -6.417 451 HB3 ASN 55 3HB ASN 55 2.083 10.053 -6.241 452 HD21 ASN 55 1HD2 ASN 55 2.562 11.549 -8.154 453 HD22 ASN 55 2HD2 ASN 55 2.219 10.928 -9.734 454 H THR 56 H THR 56 -1.679 7.244 -6.368 455 HA THR 56 HA THR 56 -3.537 9.169 -7.603 456 HB THR 56 HB THR 56 -4.331 6.851 -8.714 457 HG1 THR 56 1HG THR 56 -1.452 6.634 -8.184 458 HG21 THR 56 1HG2 THR 56 -1.684 7.940 -9.734 459 HG22 THR 56 2HG2 THR 56 -3.092 7.380 -10.668 460 HG23 THR 56 3HG2 THR 56 -3.149 8.949 -9.829 461 H ASP 57 H ASP 57 -5.889 8.301 -7.463 462 HA ASP 57 HA ASP 57 -6.332 7.929 -4.685 463 HB2 ASP 57 2HB ASP 57 -7.914 8.593 -7.109 464 HB3 ASP 57 3HB ASP 57 -8.801 7.629 -5.945 465 HD2 ASP 57 HD ASP 57 -9.171 8.526 -3.968 466 H ARG 58 H ARG 58 -7.295 6.038 -3.695 467 HA ARG 58 HA ARG 58 -7.421 3.883 -3.400 468 HB2 ARG 58 2HB ARG 58 -9.259 4.562 -5.646 469 HB3 ARG 58 3HB ARG 58 -8.919 2.849 -5.501 470 HG2 ARG 58 2HG ARG 58 -10.247 2.665 -3.671 471 HG3 ARG 58 3HG ARG 58 -9.397 3.961 -2.853 472 HD2 ARG 58 2HD ARG 58 -11.489 4.960 -3.030 473 HD3 ARG 58 3HD ARG 58 -10.803 5.503 -4.548 474 HE ARG 58 HE ARG 58 -11.954 3.001 -5.112 475 HH11 ARG 58 1HH1 ARG 58 -15.233 4.015 -5.741 476 HH12 ARG 58 2HH1 ARG 58 -14.058 2.764 -5.969 477 HH21 ARG 58 1HH2 ARG 58 -14.669 5.934 -4.563 478 HH22 ARG 58 2HH2 ARG 58 -13.074 6.115 -3.913 479 H CYS 59 H CYS 59 -5.067 4.770 -5.007 480 HA CYS 59 HA CYS 59 -4.611 3.152 -7.194 481 HB2 CYS 59 2HB CYS 59 -2.338 3.730 -7.004 482 HB3 CYS 59 3HB CYS 59 -3.262 5.125 -6.480 483 H ASN 60 H ASN 60 -3.918 2.675 -3.664 484 HA ASN 60 HA ASN 60 -3.318 -0.100 -4.288 485 HB2 ASN 60 2HB ASN 60 -2.166 -0.178 -2.127 486 HB3 ASN 60 3HB ASN 60 -1.607 1.244 -2.984 487 HD21 ASN 60 1HD2 ASN 60 -3.792 0.050 -0.499 488 HD22 ASN 60 2HD2 ASN 60 -3.951 1.519 0.405 Start of MODEL 12 1 H1 LEU 1 H LEU 1 -4.967 13.038 0.163 2 HA LEU 1 HA LEU 1 -5.869 12.068 -2.433 3 HB2 LEU 1 2HB LEU 1 -3.296 12.372 -2.250 4 HB3 LEU 1 3HB LEU 1 -3.360 10.955 -1.221 5 HG LEU 1 HG LEU 1 -4.798 10.070 -3.359 6 HD11 LEU 1 1HD1 LEU 1 -2.891 12.170 -4.366 7 HD12 LEU 1 2HD1 LEU 1 -3.301 10.746 -5.352 8 HD13 LEU 1 3HD1 LEU 1 -4.583 11.862 -4.825 9 HD21 LEU 1 1HD2 LEU 1 -1.865 9.783 -3.654 10 HD22 LEU 1 2HD2 LEU 1 -2.543 9.333 -2.071 11 HD23 LEU 1 3HD2 LEU 1 -3.143 8.549 -3.553 12 H LYS 2 H LYS 2 -6.533 9.783 -2.364 13 HA LYS 2 HA LYS 2 -6.990 8.856 0.381 14 HB2 LYS 2 2HB LYS 2 -8.979 9.383 -1.786 15 HB3 LYS 2 3HB LYS 2 -9.227 7.969 -0.782 16 HG2 LYS 2 2HG LYS 2 -9.025 9.420 1.269 17 HG3 LYS 2 3HG LYS 2 -8.847 10.824 0.237 18 HD2 LYS 2 2HD LYS 2 -11.203 9.202 -0.492 19 HD3 LYS 2 3HD LYS 2 -11.269 9.749 1.171 20 HE2 LYS 2 2HE LYS 2 -10.383 12.028 -0.204 21 HE3 LYS 2 3HE LYS 2 -11.520 11.311 -1.326 22 HZ1 LYS 2 1HZ LYS 2 -12.605 11.184 1.229 23 HZ2 LYS 2 2HZ LYS 2 -12.084 12.712 0.985 24 HZ3 LYS 2 3HZ LYS 2 -13.144 12.036 -0.057 25 H CYS 3 H CYS 3 -6.890 6.596 0.682 26 HA CYS 3 HA CYS 3 -6.088 5.110 -1.709 27 HB2 CYS 3 2HB CYS 3 -4.872 4.413 0.920 28 HB3 CYS 3 3HB CYS 3 -4.262 4.155 -0.703 29 H ASN 4 H ASN 4 -6.715 2.827 -1.645 30 HA ASN 4 HA ASN 4 -9.156 2.452 -0.330 31 HB2 ASN 4 2HB ASN 4 -8.048 1.351 -2.535 32 HB3 ASN 4 3HB ASN 4 -7.551 0.116 -1.394 33 HD21 ASN 4 1HD2 ASN 4 -10.435 2.134 -1.978 34 HD22 ASN 4 2HD2 ASN 4 -11.609 0.862 -1.914 35 H LYS 5 H LYS 5 -9.512 0.308 1.039 36 HA LYS 5 HA LYS 5 -7.463 0.299 3.105 37 HB2 LYS 5 2HB LYS 5 -10.300 -0.773 3.069 38 HB3 LYS 5 3HB LYS 5 -9.211 -0.862 4.440 39 HG2 LYS 5 2HG LYS 5 -9.390 1.863 3.300 40 HG3 LYS 5 3HG LYS 5 -10.939 1.259 3.855 41 HD2 LYS 5 2HD LYS 5 -8.407 1.162 5.557 42 HD3 LYS 5 3HD LYS 5 -9.544 2.495 5.612 43 HE2 LYS 5 2HE LYS 5 -11.321 0.496 5.968 44 HE3 LYS 5 3HE LYS 5 -9.901 -0.347 6.557 45 HZ1 LYS 5 1HZ LYS 5 -10.062 2.285 7.579 46 HZ2 LYS 5 2HZ LYS 5 -11.394 1.418 7.954 47 HZ3 LYS 5 3HZ LYS 5 -9.916 0.871 8.382 48 H LEU 6 H LEU 6 -7.854 -2.251 4.206 49 HA LEU 6 HA LEU 6 -6.195 -3.771 2.511 50 HB2 LEU 6 2HB LEU 6 -6.583 -3.704 5.132 51 HB3 LEU 6 3HB LEU 6 -7.708 -4.999 4.769 52 HG LEU 6 HG LEU 6 -4.795 -5.026 3.940 53 HD11 LEU 6 1HD1 LEU 6 -5.791 -6.746 6.162 54 HD12 LEU 6 2HD1 LEU 6 -4.175 -6.058 5.873 55 HD13 LEU 6 3HD1 LEU 6 -5.480 -5.028 6.509 56 HD21 LEU 6 1HD2 LEU 6 -6.286 -7.550 4.253 57 HD22 LEU 6 2HD2 LEU 6 -6.842 -6.505 2.924 58 HD23 LEU 6 3HD2 LEU 6 -5.142 -7.030 2.992 59 H ILE 7 H ILE 7 -9.709 -3.865 3.321 60 HA ILE 7 HA ILE 7 -10.040 -6.017 1.386 61 HB ILE 7 HB ILE 7 -11.830 -4.797 3.479 62 HG12 ILE 7 2HG1 ILE 7 -10.440 -7.458 3.152 63 HG13 ILE 7 3HG1 ILE 7 -10.272 -6.295 4.452 64 HG21 ILE 7 1HG2 ILE 7 -13.612 -6.222 2.808 65 HG22 ILE 7 2HG2 ILE 7 -13.080 -5.332 1.362 66 HG23 ILE 7 3HG2 ILE 7 -12.598 -7.029 1.588 67 HD11 ILE 7 1HD1 ILE 7 -12.571 -6.716 5.207 68 HD12 ILE 7 2HD1 ILE 7 -12.857 -7.789 3.816 69 HD13 ILE 7 3HD1 ILE 7 -11.698 -8.263 5.082 70 HA PRO 8 HA PRO 8 -10.567 -2.942 -1.741 71 HB2 PRO 8 2HB PRO 8 -11.786 -5.353 -3.070 72 HB3 PRO 8 3HB PRO 8 -10.694 -4.195 -3.740 73 HG2 PRO 8 2HG PRO 8 -9.722 -6.570 -2.917 74 HG3 PRO 8 3HG PRO 8 -8.812 -5.109 -2.540 75 HD2 PRO 8 2HD PRO 8 -10.560 -6.724 -0.691 76 HD3 PRO 8 3HD PRO 8 -9.053 -5.930 -0.349 77 H LEU 9 H LEU 9 -12.222 -1.809 -0.278 78 HA LEU 9 HA LEU 9 -14.481 -1.257 -1.808 79 HB2 LEU 9 2HB LEU 9 -16.222 -2.366 -0.879 80 HB3 LEU 9 3HB LEU 9 -14.982 -3.599 -0.783 81 HG LEU 9 HG LEU 9 -14.607 -2.538 1.633 82 HD11 LEU 9 1HD1 LEU 9 -17.528 -2.267 1.753 83 HD12 LEU 9 2HD1 LEU 9 -16.246 -1.295 2.513 84 HD13 LEU 9 3HD1 LEU 9 -16.715 -0.986 0.824 85 HD21 LEU 9 1HD2 LEU 9 -16.663 -4.189 2.265 86 HD22 LEU 9 2HD2 LEU 9 -16.332 -4.699 0.593 87 HD23 LEU 9 3HD2 LEU 9 -15.033 -4.739 1.809 88 H ALA 10 H ALA 10 -12.832 -1.338 1.364 89 HA ALA 10 HA ALA 10 -14.105 1.178 2.092 90 HB1 ALA 10 1HB ALA 10 -12.916 0.780 4.255 91 HB2 ALA 10 2HB ALA 10 -13.983 -0.568 3.793 92 HB3 ALA 10 3HB ALA 10 -12.223 -0.709 3.567 93 H TYR 11 H TYR 11 -12.730 3.018 2.808 94 HA TYR 11 HA TYR 11 -10.021 2.989 1.753 95 HB2 TYR 11 2HB TYR 11 -10.584 5.084 0.447 96 HB3 TYR 11 3HB TYR 11 -11.534 3.725 -0.116 97 HD1 TYR 11 1HD TYR 11 -11.684 6.688 2.154 98 HD2 TYR 11 2HD TYR 11 -13.886 3.849 -0.168 99 HE1 TYR 11 1HE TYR 11 -13.820 8.008 2.551 100 HE2 TYR 11 2HE TYR 11 -16.014 5.179 0.236 101 HH TYR 11 HH TYR 11 -16.763 7.228 0.854 102 H LYS 12 H LYS 12 -8.762 4.906 2.461 103 HA LYS 12 HA LYS 12 -10.010 6.479 4.554 104 HB2 LYS 12 2HB LYS 12 -7.967 4.354 5.039 105 HB3 LYS 12 3HB LYS 12 -7.804 5.854 5.928 106 HG2 LYS 12 2HG LYS 12 -10.447 4.341 5.789 107 HG3 LYS 12 3HG LYS 12 -9.245 3.998 7.017 108 HD2 LYS 12 2HD LYS 12 -10.331 5.626 8.208 109 HD3 LYS 12 3HD LYS 12 -9.372 6.729 7.240 110 HE2 LYS 12 2HE LYS 12 -11.297 7.607 6.423 111 HE3 LYS 12 3HE LYS 12 -11.602 6.087 5.606 112 HZ1 LYS 12 1HZ LYS 12 -12.241 5.997 8.373 113 HZ2 LYS 12 2HZ LYS 12 -13.106 7.126 7.570 114 HZ3 LYS 12 3HZ LYS 12 -13.147 5.568 7.083 115 H THR 13 H THR 13 -9.102 8.527 4.739 116 HA THR 13 HA THR 13 -7.483 9.355 2.554 117 HB THR 13 HB THR 13 -8.562 10.675 5.091 118 HG1 THR 13 1HG THR 13 -9.794 11.692 3.202 119 HG21 THR 13 1HG2 THR 13 -7.101 11.907 2.696 120 HG22 THR 13 2HG2 THR 13 -8.042 12.835 3.889 121 HG23 THR 13 3HG2 THR 13 -6.570 11.972 4.394 122 H CYS 14 H CYS 14 -5.361 10.203 2.534 123 HA CYS 14 HA CYS 14 -3.628 8.751 4.260 124 HB2 CYS 14 2HB CYS 14 -2.947 10.902 2.249 125 HB3 CYS 14 3HB CYS 14 -1.830 9.765 2.983 126 HA PRO 15 HA PRO 15 -3.996 11.764 7.510 127 HB2 PRO 15 2HB PRO 15 -1.505 10.327 8.385 128 HB3 PRO 15 3HB PRO 15 -2.877 10.773 9.334 129 HG2 PRO 15 2HG PRO 15 -2.663 8.224 8.514 130 HG3 PRO 15 3HG PRO 15 -4.236 9.009 8.397 131 HD2 PRO 15 2HD PRO 15 -2.260 8.502 6.165 132 HD3 PRO 15 3HD PRO 15 -3.987 8.334 6.148 133 H ALA 16 H ALA 16 -2.329 13.140 8.984 134 HA ALA 16 HA ALA 16 -1.398 15.152 7.304 135 HB1 ALA 16 1HB ALA 16 -0.369 14.677 10.110 136 HB2 ALA 16 2HB ALA 16 -0.739 16.216 9.297 137 HB3 ALA 16 3HB ALA 16 -2.062 15.148 9.823 138 H GLY 17 H GLY 17 0.328 15.174 5.965 139 HA2 GLY 17 1HA GLY 17 2.658 15.107 5.660 140 HA3 GLY 17 2HA GLY 17 2.789 13.839 6.863 141 H LYS 18 H LYS 18 0.379 12.362 5.754 142 HA LYS 18 HA LYS 18 1.849 10.869 3.796 143 HB2 LYS 18 2HB LYS 18 -1.000 10.399 4.686 144 HB3 LYS 18 3HB LYS 18 0.133 9.241 4.016 145 HG2 LYS 18 2HG LYS 18 0.469 10.668 6.698 146 HG3 LYS 18 3HG LYS 18 -0.099 9.022 6.502 147 HD2 LYS 18 2HD LYS 18 2.018 8.225 6.264 148 HD3 LYS 18 3HD LYS 18 2.403 9.412 5.036 149 HE2 LYS 18 2HE LYS 18 3.906 9.914 6.814 150 HE3 LYS 18 3HE LYS 18 2.648 11.122 6.969 151 HZ1 LYS 18 1HZ LYS 18 3.433 9.366 8.880 152 HZ2 LYS 18 2HZ LYS 18 2.101 10.310 8.930 153 HZ3 LYS 18 3HZ LYS 18 1.994 8.773 8.388 154 H ASN 19 H ASN 19 2.021 11.665 1.763 155 HA ASN 19 HA ASN 19 -0.438 12.761 0.640 156 HB2 ASN 19 2HB ASN 19 0.910 14.278 -0.710 157 HB3 ASN 19 3HB ASN 19 1.474 14.425 0.944 158 HD21 ASN 19 1HD2 ASN 19 2.881 15.046 -1.473 159 HD22 ASN 19 2HD2 ASN 19 4.308 14.067 -1.542 160 H LEU 20 H LEU 20 1.404 10.053 0.759 161 HA LEU 20 HA LEU 20 0.888 9.418 -2.046 162 HB2 LEU 20 2HB LEU 20 3.497 8.996 -0.588 163 HB3 LEU 20 3HB LEU 20 3.070 8.167 -2.071 164 HG LEU 20 HG LEU 20 3.102 11.182 -1.892 165 HD11 LEU 20 1HD1 LEU 20 5.375 9.360 -1.818 166 HD12 LEU 20 2HD1 LEU 20 5.428 10.457 -3.218 167 HD13 LEU 20 3HD1 LEU 20 5.304 11.122 -1.571 168 HD21 LEU 20 1HD2 LEU 20 3.061 11.187 -4.215 169 HD22 LEU 20 2HD2 LEU 20 3.624 9.503 -4.333 170 HD23 LEU 20 3HD2 LEU 20 1.963 9.851 -3.795 171 H CYS 21 H CYS 21 0.619 7.091 -2.427 172 HA CYS 21 HA CYS 21 -0.262 5.783 0.038 173 HB2 CYS 21 2HB CYS 21 -1.134 5.274 -2.811 174 HB3 CYS 21 3HB CYS 21 -1.724 4.429 -1.393 175 H TYR 22 H TYR 22 0.402 3.576 0.403 176 HA TYR 22 HA TYR 22 2.362 2.519 -1.498 177 HB2 TYR 22 2HB TYR 22 3.992 2.393 0.238 178 HB3 TYR 22 3HB TYR 22 3.169 3.870 0.699 179 HD1 TYR 22 1HD TYR 22 2.228 4.075 2.839 180 HD2 TYR 22 2HD TYR 22 3.144 0.181 1.324 181 HE1 TYR 22 1HE TYR 22 1.692 3.059 5.107 182 HE2 TYR 22 2HE TYR 22 2.605 -0.823 3.597 183 HH TYR 22 HH TYR 22 2.527 -0.146 5.888 184 H LYS 23 H LYS 23 2.827 0.166 -1.099 185 HA LYS 23 HA LYS 23 0.777 -1.175 0.466 186 HB2 LYS 23 2HB LYS 23 0.018 -2.552 -1.350 187 HB3 LYS 23 3HB LYS 23 -0.190 -0.872 -1.797 188 HG2 LYS 23 2HG LYS 23 2.029 -0.986 -3.032 189 HG3 LYS 23 3HG LYS 23 2.090 -2.701 -2.679 190 HD2 LYS 23 2HD LYS 23 1.161 -2.380 -4.926 191 HD3 LYS 23 3HD LYS 23 -0.086 -3.024 -3.877 192 HE2 LYS 23 2HE LYS 23 -1.312 -1.045 -3.874 193 HE3 LYS 23 3HE LYS 23 0.109 -0.031 -4.027 194 HZ1 LYS 23 1HZ LYS 23 -1.390 -0.282 -6.024 195 HZ2 LYS 23 2HZ LYS 23 0.215 -0.433 -6.284 196 HZ3 LYS 23 3HZ LYS 23 -0.730 -1.762 -6.226 197 H MET 24 H MET 24 1.547 -3.012 1.452 198 HA MET 24 HA MET 24 4.315 -3.627 0.816 199 HB2 MET 24 2HB MET 24 2.666 -3.472 3.261 200 HB3 MET 24 3HB MET 24 3.517 -5.003 3.176 201 HG2 MET 24 2HG MET 24 5.604 -3.459 2.528 202 HG3 MET 24 3HG MET 24 4.662 -2.203 3.307 203 HE1 MET 24 1HE MET 24 4.419 -2.478 6.547 204 HE2 MET 24 2HE MET 24 6.168 -2.225 6.328 205 HE3 MET 24 3HE MET 24 5.015 -1.552 5.149 206 H PHE 25 H PHE 25 4.725 -5.436 -0.373 207 HA PHE 25 HA PHE 25 2.722 -7.579 -0.230 208 HB2 PHE 25 2HB PHE 25 4.494 -6.377 -2.407 209 HB3 PHE 25 3HB PHE 25 3.985 -8.046 -2.568 210 HD1 PHE 25 1HD PHE 25 2.154 -5.022 -1.362 211 HD2 PHE 25 2HD PHE 25 2.388 -8.141 -4.230 212 HE1 PHE 25 1HE PHE 25 -0.019 -4.263 -2.365 213 HE2 PHE 25 2HE PHE 25 0.216 -7.381 -5.233 214 HZ PHE 25 HZ PHE 25 -0.962 -5.451 -4.288 215 H MET 26 H MET 26 3.464 -9.759 -0.123 216 HA MET 26 HA MET 26 6.286 -9.935 0.600 217 HB2 MET 26 2HB MET 26 3.886 -11.623 1.501 218 HB3 MET 26 3HB MET 26 5.540 -11.916 2.004 219 HG2 MET 26 2HG MET 26 5.127 -9.170 2.546 220 HG3 MET 26 3HG MET 26 3.619 -9.929 3.010 221 HE1 MET 26 1HE MET 26 3.796 -11.567 5.828 222 HE2 MET 26 2HE MET 26 3.380 -11.913 4.132 223 HE3 MET 26 3HE MET 26 4.625 -12.881 4.958 224 H VAL 27 H VAL 27 7.540 -11.673 -0.233 225 HA VAL 27 HA VAL 27 7.079 -12.485 -2.773 226 HB VAL 27 HB VAL 27 9.089 -12.724 -1.077 227 HG11 VAL 27 1HG1 VAL 27 9.506 -15.096 -0.498 228 HG12 VAL 27 2HG1 VAL 27 8.081 -14.430 0.336 229 HG13 VAL 27 3HG1 VAL 27 7.870 -15.505 -1.067 230 HG21 VAL 27 1HG2 VAL 27 9.670 -12.952 -3.291 231 HG22 VAL 27 2HG2 VAL 27 9.953 -14.615 -2.721 232 HG23 VAL 27 3HG2 VAL 27 8.456 -14.217 -3.597 233 H SER 28 H SER 28 5.892 -13.965 0.271 234 HA SER 28 HA SER 28 5.093 -16.367 -0.511 235 HB2 SER 28 2HB SER 28 4.704 -15.451 1.742 236 HB3 SER 28 3HB SER 28 3.482 -14.358 1.122 237 HG SER 28 HG SER 28 3.074 -16.803 2.050 238 H ASN 29 H ASN 29 3.567 -13.227 -1.361 239 HA ASN 29 HA ASN 29 2.366 -14.444 -3.617 240 HB2 ASN 29 2HB ASN 29 0.716 -14.891 -1.672 241 HB3 ASN 29 3HB ASN 29 0.485 -13.157 -1.575 242 HD21 ASN 29 1HD2 ASN 29 -1.157 -15.595 -2.427 243 HD22 ASN 29 2HD2 ASN 29 -1.900 -15.132 -3.921 244 H LYS 30 H LYS 30 3.609 -12.786 -4.721 245 HA LYS 30 HA LYS 30 3.401 -10.057 -3.915 246 HB2 LYS 30 2HB LYS 30 5.035 -11.652 -5.661 247 HB3 LYS 30 3HB LYS 30 4.414 -10.286 -6.565 248 HG2 LYS 30 2HG LYS 30 5.118 -8.818 -4.544 249 HG3 LYS 30 3HG LYS 30 5.998 -10.219 -3.964 250 HD2 LYS 30 2HD LYS 30 6.551 -9.725 -6.807 251 HD3 LYS 30 3HD LYS 30 6.910 -8.309 -5.838 252 HE2 LYS 30 2HE LYS 30 8.705 -9.305 -4.822 253 HE3 LYS 30 3HE LYS 30 7.853 -10.818 -4.582 254 HZ1 LYS 30 1HZ LYS 30 9.704 -10.201 -6.548 255 HZ2 LYS 30 2HZ LYS 30 8.933 -11.620 -6.302 256 HZ3 LYS 30 3HZ LYS 30 8.285 -10.500 -7.300 257 H THR 31 H THR 31 1.191 -12.137 -5.293 258 HA THR 31 HA THR 31 0.099 -10.140 -7.129 259 HB THR 31 HB THR 31 -0.554 -13.076 -6.547 260 HG1 THR 31 1HG THR 31 0.893 -13.302 -8.221 261 HG21 THR 31 1HG2 THR 31 -1.481 -12.236 -9.109 262 HG22 THR 31 2HG2 THR 31 -2.484 -12.738 -7.727 263 HG23 THR 31 3HG2 THR 31 -2.083 -11.020 -7.959 264 H VAL 32 H VAL 32 -0.045 -10.944 -3.842 265 HA VAL 32 HA VAL 32 -2.572 -9.496 -3.651 266 HB VAL 32 HB VAL 32 -1.943 -12.208 -2.512 267 HG11 VAL 32 1HG1 VAL 32 -4.404 -11.364 -1.429 268 HG12 VAL 32 2HG1 VAL 32 -2.882 -11.673 -0.560 269 HG13 VAL 32 3HG1 VAL 32 -3.261 -10.032 -1.134 270 HG21 VAL 32 1HG2 VAL 32 -3.484 -12.923 -3.958 271 HG22 VAL 32 2HG2 VAL 32 -4.671 -11.741 -3.354 272 HG23 VAL 32 3HG2 VAL 32 -3.534 -11.283 -4.646 273 HA PRO 33 HA PRO 33 -0.053 -7.277 -0.871 274 HB2 PRO 33 2HB PRO 33 -1.968 -5.667 0.248 275 HB3 PRO 33 3HB PRO 33 -1.326 -5.422 -1.337 276 HG2 PRO 33 2HG PRO 33 -3.936 -6.770 -0.525 277 HG3 PRO 33 3HG PRO 33 -3.621 -5.678 -1.871 278 HD2 PRO 33 2HD PRO 33 -3.760 -8.393 -2.239 279 HD3 PRO 33 3HD PRO 33 -2.817 -7.355 -3.260 280 H VAL 34 H VAL 34 0.557 -6.795 1.327 281 HA VAL 34 HA VAL 34 -0.655 -8.693 3.215 282 HB VAL 34 HB VAL 34 1.833 -8.823 2.326 283 HG11 VAL 34 1HG1 VAL 34 3.406 -7.492 3.310 284 HG12 VAL 34 2HG1 VAL 34 2.043 -6.346 3.325 285 HG13 VAL 34 3HG1 VAL 34 2.451 -7.264 4.795 286 HG21 VAL 34 1HG2 VAL 34 0.423 -9.764 4.594 287 HG22 VAL 34 2HG2 VAL 34 1.884 -10.453 3.847 288 HG23 VAL 34 3HG2 VAL 34 2.034 -9.267 5.166 289 H LYS 35 H LYS 35 0.333 -5.359 2.515 290 HA LYS 35 HA LYS 35 -1.261 -4.470 4.736 291 HB2 LYS 35 2HB LYS 35 1.681 -4.530 4.890 292 HB3 LYS 35 3HB LYS 35 0.983 -2.959 5.228 293 HG2 LYS 35 2HG LYS 35 -0.404 -5.286 6.501 294 HG3 LYS 35 3HG LYS 35 1.212 -4.958 7.092 295 HD2 LYS 35 2HD LYS 35 0.034 -2.405 6.944 296 HD3 LYS 35 3HD LYS 35 -1.274 -3.427 7.503 297 HE2 LYS 35 2HE LYS 35 0.413 -4.380 9.235 298 HE3 LYS 35 3HE LYS 35 1.461 -3.048 8.791 299 HZ1 LYS 35 1HZ LYS 35 -0.340 -2.847 10.663 300 HZ2 LYS 35 2HZ LYS 35 0.093 -1.565 9.748 301 HZ3 LYS 35 3HZ LYS 35 -1.279 -2.384 9.411 302 H ARG 36 H ARG 36 -1.866 -2.231 4.522 303 HA ARG 36 HA ARG 36 -0.875 -0.944 2.140 304 HB2 ARG 36 2HB ARG 36 -3.647 -0.395 2.082 305 HB3 ARG 36 3HB ARG 36 -2.766 -1.409 0.956 306 HG2 ARG 36 2HG ARG 36 -4.571 -2.754 1.831 307 HG3 ARG 36 3HG ARG 36 -3.095 -3.362 2.555 308 HD2 ARG 36 2HD ARG 36 -4.119 -1.230 4.232 309 HD3 ARG 36 3HD ARG 36 -5.430 -2.342 3.891 310 HE ARG 36 HE ARG 36 -3.218 -3.962 4.526 311 HH11 ARG 36 1HH1 ARG 36 -3.553 -4.020 8.000 312 HH12 ARG 36 2HH1 ARG 36 -2.858 -4.804 6.621 313 HH21 ARG 36 1HH2 ARG 36 -4.848 -2.114 7.721 314 HH22 ARG 36 2HH2 ARG 36 -5.121 -1.477 6.134 315 H GLY 37 H GLY 37 -0.885 1.351 2.318 316 HA2 GLY 37 1HA GLY 37 -2.487 2.775 4.161 317 HA3 GLY 37 2HA GLY 37 -0.910 2.474 4.865 318 H CYS 38 H CYS 38 -1.173 5.034 4.638 319 HA CYS 38 HA CYS 38 -0.162 5.794 1.999 320 HB2 CYS 38 2HB CYS 38 -1.456 7.509 4.126 321 HB3 CYS 38 3HB CYS 38 -0.851 8.084 2.585 322 H ILE 39 H ILE 39 1.735 7.207 1.938 323 HA ILE 39 HA ILE 39 3.108 7.639 4.452 324 HB ILE 39 HB ILE 39 3.659 5.315 3.437 325 HG12 ILE 39 2HG1 ILE 39 5.995 7.111 4.115 326 HG13 ILE 39 3HG1 ILE 39 4.815 6.618 5.314 327 HG21 ILE 39 1HG2 ILE 39 4.067 5.821 1.172 328 HG22 ILE 39 2HG2 ILE 39 5.149 7.174 1.581 329 HG23 ILE 39 3HG2 ILE 39 5.666 5.498 1.885 330 HD11 ILE 39 1HD1 ILE 39 6.298 4.622 3.552 331 HD12 ILE 39 2HD1 ILE 39 6.887 5.136 5.151 332 HD13 ILE 39 3HD1 ILE 39 5.335 4.277 5.009 333 H ASP 40 H ASP 40 5.015 9.108 4.148 334 HA ASP 40 HA ASP 40 4.274 11.079 2.227 335 HB2 ASP 40 2HB ASP 40 6.317 12.282 3.272 336 HB3 ASP 40 3HB ASP 40 4.944 11.975 4.318 337 HD2 ASP 40 HD ASP 40 6.756 10.907 6.635 338 H ALA 41 H ALA 41 7.255 9.164 3.095 339 HA ALA 41 HA ALA 41 8.394 9.809 0.492 340 HB1 ALA 41 1HB ALA 41 9.855 8.097 2.439 341 HB2 ALA 41 2HB ALA 41 10.421 9.492 1.491 342 HB3 ALA 41 3HB ALA 41 9.488 9.750 2.984 343 H CYS 42 H CYS 42 9.152 8.124 -0.952 344 HA CYS 42 HA CYS 42 7.382 5.851 -0.876 345 HB2 CYS 42 2HB CYS 42 7.648 7.074 -2.954 346 HB3 CYS 42 3HB CYS 42 9.377 6.792 -2.946 347 HA PRO 43 HA PRO 43 10.421 3.571 1.421 348 HB2 PRO 43 2HB PRO 43 8.747 1.299 0.391 349 HB3 PRO 43 3HB PRO 43 9.317 1.574 2.000 350 HG2 PRO 43 2HG PRO 43 6.758 2.172 1.417 351 HG3 PRO 43 3HG PRO 43 7.683 3.303 2.402 352 HD2 PRO 43 2HD PRO 43 7.014 3.536 -0.537 353 HD3 PRO 43 3HD PRO 43 7.010 4.774 0.683 354 H LYS 44 H LYS 44 11.624 1.262 1.181 355 HA LYS 44 HA LYS 44 12.926 1.412 -1.445 356 HB2 LYS 44 2HB LYS 44 13.990 1.602 1.170 357 HB3 LYS 44 3HB LYS 44 14.483 0.036 0.561 358 HG2 LYS 44 2HG LYS 44 14.778 1.918 -1.599 359 HG3 LYS 44 3HG LYS 44 15.486 2.649 -0.172 360 HD2 LYS 44 2HD LYS 44 17.312 1.421 -0.937 361 HD3 LYS 44 3HD LYS 44 16.599 0.251 0.156 362 HE2 LYS 44 2HE LYS 44 16.689 -1.142 -1.668 363 HE3 LYS 44 3HE LYS 44 15.195 -0.343 -2.117 364 HZ1 LYS 44 1HZ LYS 44 16.218 0.796 -3.727 365 HZ2 LYS 44 2HZ LYS 44 17.609 1.011 -2.898 366 HZ3 LYS 44 3HZ LYS 44 17.321 -0.406 -3.659 367 H ASN 45 H ASN 45 12.253 -0.168 -2.789 368 HA ASN 45 HA ASN 45 10.781 -2.317 -2.022 369 HB2 ASN 45 2HB ASN 45 11.440 -3.297 -4.266 370 HB3 ASN 45 3HB ASN 45 10.935 -1.622 -4.370 371 HD21 ASN 45 1HD2 ASN 45 12.345 -0.044 -4.932 372 HD22 ASN 45 2HD2 ASN 45 13.971 -0.318 -5.462 373 H SER 46 H SER 46 11.354 -4.648 -1.835 374 HA SER 46 HA SER 46 14.189 -5.100 -1.370 375 HB2 SER 46 2HB SER 46 12.178 -6.471 0.406 376 HB3 SER 46 3HB SER 46 13.860 -6.090 0.726 377 HG SER 46 HG SER 46 12.208 -3.843 0.308 378 H LEU 47 H LEU 47 14.489 -7.682 -1.067 379 HA LEU 47 HA LEU 47 13.357 -8.809 -3.453 380 HB2 LEU 47 2HB LEU 47 14.851 -10.683 -2.967 381 HB3 LEU 47 3HB LEU 47 15.679 -9.140 -3.022 382 HG LEU 47 HG LEU 47 14.958 -9.608 -0.306 383 HD11 LEU 47 1HD1 LEU 47 14.929 -12.045 -1.396 384 HD12 LEU 47 2HD1 LEU 47 16.681 -11.892 -1.128 385 HD13 LEU 47 3HD1 LEU 47 15.554 -11.731 0.240 386 HD21 LEU 47 1HD2 LEU 47 17.052 -8.890 0.047 387 HD22 LEU 47 2HD2 LEU 47 17.760 -10.071 -1.079 388 HD23 LEU 47 3HD2 LEU 47 17.056 -8.561 -1.702 389 H LEU 48 H LEU 48 12.925 -9.025 0.076 390 HA LEU 48 HA LEU 48 11.155 -11.299 -0.230 391 HB2 LEU 48 2HB LEU 48 12.790 -10.199 1.833 392 HB3 LEU 48 3HB LEU 48 11.133 -10.219 2.403 393 HG LEU 48 HG LEU 48 11.931 -12.726 1.097 394 HD11 LEU 48 1HD1 LEU 48 13.937 -13.001 2.011 395 HD12 LEU 48 2HD1 LEU 48 13.779 -11.510 2.969 396 HD13 LEU 48 3HD1 LEU 48 13.133 -13.044 3.599 397 HD21 LEU 48 1HD2 LEU 48 11.060 -13.533 3.427 398 HD22 LEU 48 2HD2 LEU 48 10.491 -11.854 3.580 399 HD23 LEU 48 3HD2 LEU 48 9.928 -12.866 2.227 400 H VAL 49 H VAL 49 10.974 -7.921 1.105 401 HA VAL 49 HA VAL 49 8.096 -8.026 0.547 402 HB VAL 49 HB VAL 49 8.617 -7.662 2.860 403 HG11 VAL 49 1HG1 VAL 49 9.833 -5.237 3.186 404 HG12 VAL 49 2HG1 VAL 49 10.666 -6.808 3.269 405 HG13 VAL 49 3HG1 VAL 49 10.688 -5.866 1.758 406 HG21 VAL 49 1HG2 VAL 49 6.812 -6.275 1.601 407 HG22 VAL 49 2HG2 VAL 49 7.262 -5.808 3.258 408 HG23 VAL 49 3HG2 VAL 49 7.914 -4.904 1.870 409 H LYS 50 H LYS 50 7.296 -6.836 -1.112 410 HA LYS 50 HA LYS 50 9.122 -4.859 -2.279 411 HB2 LYS 50 2HB LYS 50 8.263 -6.988 -3.556 412 HB3 LYS 50 3HB LYS 50 6.790 -6.061 -3.745 413 HG2 LYS 50 2HG LYS 50 9.420 -4.716 -4.379 414 HG3 LYS 50 3HG LYS 50 8.781 -5.875 -5.527 415 HD2 LYS 50 2HD LYS 50 6.682 -4.609 -5.729 416 HD3 LYS 50 3HD LYS 50 7.165 -3.523 -4.440 417 HE2 LYS 50 2HE LYS 50 8.869 -3.830 -6.942 418 HE3 LYS 50 3HE LYS 50 7.498 -2.739 -6.917 419 HZ1 LYS 50 1HZ LYS 50 8.665 -1.302 -5.744 420 HZ2 LYS 50 2HZ LYS 50 9.096 -2.406 -4.620 421 HZ3 LYS 50 3HZ LYS 50 9.994 -2.224 -5.972 422 H TYR 51 H TYR 51 8.615 -2.753 -2.036 423 HA TYR 51 HA TYR 51 5.881 -2.151 -1.162 424 HB2 TYR 51 2HB TYR 51 8.554 -0.614 -1.117 425 HB3 TYR 51 3HB TYR 51 7.072 -0.022 -0.395 426 HD1 TYR 51 1HD TYR 51 6.276 -0.877 1.733 427 HD2 TYR 51 2HD TYR 51 9.786 -2.505 -0.095 428 HE1 TYR 51 1HE TYR 51 6.881 -2.038 3.912 429 HE2 TYR 51 2HE TYR 51 10.379 -3.661 2.090 430 HH TYR 51 HH TYR 51 8.915 -2.862 5.006 431 H VAL 52 H VAL 52 4.503 -1.229 -2.591 432 HA VAL 52 HA VAL 52 5.718 0.129 -4.896 433 HB VAL 52 HB VAL 52 3.216 -1.498 -4.536 434 HG11 VAL 52 1HG1 VAL 52 2.076 -0.102 -5.861 435 HG12 VAL 52 2HG1 VAL 52 3.527 0.872 -6.203 436 HG13 VAL 52 3HG1 VAL 52 3.181 -0.580 -7.173 437 HG21 VAL 52 1HG2 VAL 52 4.134 -2.955 -6.045 438 HG22 VAL 52 2HG2 VAL 52 5.029 -1.680 -6.906 439 HG23 VAL 52 3HG2 VAL 52 5.631 -2.291 -5.346 440 H CYS 53 H CYS 53 5.224 2.262 -5.278 441 HA CYS 53 HA CYS 53 3.381 3.458 -3.342 442 HB2 CYS 53 2HB CYS 53 5.409 5.058 -4.849 443 HB3 CYS 53 3HB CYS 53 4.655 5.388 -3.302 444 H CYS 54 H CYS 54 2.171 5.426 -4.256 445 HA CYS 54 HA CYS 54 1.983 5.621 -7.087 446 HB2 CYS 54 2HB CYS 54 -0.598 5.121 -6.890 447 HB3 CYS 54 3HB CYS 54 0.567 3.875 -7.286 448 H ASN 55 H ASN 55 0.500 7.453 -7.666 449 HA ASN 55 HA ASN 55 -0.086 9.077 -5.316 450 HB2 ASN 55 2HB ASN 55 0.476 11.087 -6.717 451 HB3 ASN 55 3HB ASN 55 1.857 10.026 -6.514 452 HD21 ASN 55 1HD2 ASN 55 2.445 11.386 -8.444 453 HD22 ASN 55 2HD2 ASN 55 2.067 10.765 -10.015 454 H THR 56 H THR 56 -1.843 7.184 -6.752 455 HA THR 56 HA THR 56 -3.695 9.079 -8.045 456 HB THR 56 HB THR 56 -4.479 6.726 -9.068 457 HG1 THR 56 1HG THR 56 -1.613 6.448 -8.540 458 HG21 THR 56 1HG2 THR 56 -3.654 7.953 -10.841 459 HG22 THR 56 2HG2 THR 56 -2.325 8.626 -9.867 460 HG23 THR 56 3HG2 THR 56 -2.172 7.003 -10.582 461 H ASP 57 H ASP 57 -6.050 8.325 -7.885 462 HA ASP 57 HA ASP 57 -6.554 8.050 -5.113 463 HB2 ASP 57 2HB ASP 57 -8.721 8.707 -5.643 464 HB3 ASP 57 3HB ASP 57 -7.870 9.342 -7.036 465 HD2 ASP 57 HD ASP 57 -10.442 6.519 -6.773 466 H ARG 58 H ARG 58 -7.323 6.171 -4.032 467 HA ARG 58 HA ARG 58 -7.511 4.037 -3.673 468 HB2 ARG 58 2HB ARG 58 -9.450 4.677 -5.847 469 HB3 ARG 58 3HB ARG 58 -9.124 2.964 -5.668 470 HG2 ARG 58 2HG ARG 58 -10.374 2.856 -3.776 471 HG3 ARG 58 3HG ARG 58 -9.455 4.149 -3.033 472 HD2 ARG 58 2HD ARG 58 -11.561 5.153 -3.127 473 HD3 ARG 58 3HD ARG 58 -10.896 5.708 -4.651 474 HE ARG 58 HE ARG 58 -12.061 3.323 -5.369 475 HH11 ARG 58 1HH1 ARG 58 -15.454 4.128 -5.478 476 HH12 ARG 58 2HH1 ARG 58 -14.230 3.032 -6.026 477 HH21 ARG 58 1HH2 ARG 58 -14.892 5.891 -4.077 478 HH22 ARG 58 2HH2 ARG 58 -13.248 6.110 -3.579 479 H CYS 59 H CYS 59 -5.129 4.668 -5.133 480 HA CYS 59 HA CYS 59 -4.792 3.098 -7.411 481 HB2 CYS 59 2HB CYS 59 -2.450 3.485 -7.152 482 HB3 CYS 59 3HB CYS 59 -3.321 4.959 -6.781 483 H ASN 60 H ASN 60 -4.106 2.548 -3.890 484 HA ASN 60 HA ASN 60 -3.641 -0.245 -4.541 485 HB2 ASN 60 2HB ASN 60 -2.494 -0.406 -2.399 486 HB3 ASN 60 3HB ASN 60 -1.909 1.048 -3.183 487 HD21 ASN 60 1HD2 ASN 60 -4.303 -0.177 -0.882 488 HD22 ASN 60 2HD2 ASN 60 -4.396 1.230 0.124 Start of MODEL 13 1 H1 LEU 1 H LEU 1 -4.606 13.293 -0.387 2 HA LEU 1 HA LEU 1 -5.714 11.815 -2.662 3 HB2 LEU 1 2HB LEU 1 -3.185 12.391 -2.320 4 HB3 LEU 1 3HB LEU 1 -3.220 11.054 -1.188 5 HG LEU 1 HG LEU 1 -4.378 9.841 -3.296 6 HD11 LEU 1 1HD1 LEU 1 -4.157 11.979 -4.631 7 HD12 LEU 1 2HD1 LEU 1 -2.399 11.696 -4.629 8 HD13 LEU 1 3HD1 LEU 1 -3.490 10.510 -5.385 9 HD21 LEU 1 1HD2 LEU 1 -1.407 9.999 -3.431 10 HD22 LEU 1 2HD2 LEU 1 -2.139 9.474 -1.895 11 HD23 LEU 1 3HD2 LEU 1 -2.487 8.584 -3.397 12 H LYS 2 H LYS 2 -6.526 9.700 -2.390 13 HA LYS 2 HA LYS 2 -6.831 8.875 0.409 14 HB2 LYS 2 2HB LYS 2 -8.972 8.944 -1.735 15 HB3 LYS 2 3HB LYS 2 -9.137 8.101 -0.207 16 HG2 LYS 2 2HG LYS 2 -9.477 10.037 0.967 17 HG3 LYS 2 3HG LYS 2 -8.193 10.884 0.128 18 HD2 LYS 2 2HD LYS 2 -10.043 10.660 -1.899 19 HD3 LYS 2 3HD LYS 2 -11.108 10.743 -0.508 20 HE2 LYS 2 2HE LYS 2 -10.852 13.017 -0.868 21 HE3 LYS 2 3HE LYS 2 -9.468 12.771 0.178 22 HZ1 LYS 2 1HZ LYS 2 -9.246 13.878 -2.157 23 HZ2 LYS 2 2HZ LYS 2 -8.048 12.950 -1.548 24 HZ3 LYS 2 3HZ LYS 2 -9.076 12.332 -2.655 25 H CYS 3 H CYS 3 -6.747 6.626 0.792 26 HA CYS 3 HA CYS 3 -6.017 5.061 -1.575 27 HB2 CYS 3 2HB CYS 3 -4.846 4.523 1.137 28 HB3 CYS 3 3HB CYS 3 -4.299 3.962 -0.430 29 H ASN 4 H ASN 4 -6.722 2.806 -1.492 30 HA ASN 4 HA ASN 4 -9.169 2.533 -0.126 31 HB2 ASN 4 2HB ASN 4 -8.187 1.447 -2.405 32 HB3 ASN 4 3HB ASN 4 -7.730 0.151 -1.317 33 HD21 ASN 4 1HD2 ASN 4 -10.447 2.218 -2.273 34 HD22 ASN 4 2HD2 ASN 4 -11.712 1.060 -2.029 35 H LYS 5 H LYS 5 -9.595 0.421 1.233 36 HA LYS 5 HA LYS 5 -7.444 0.210 3.180 37 HB2 LYS 5 2HB LYS 5 -10.354 -0.638 3.276 38 HB3 LYS 5 3HB LYS 5 -9.207 -0.858 4.583 39 HG2 LYS 5 2HG LYS 5 -9.203 1.907 3.540 40 HG3 LYS 5 3HG LYS 5 -10.778 1.422 4.133 41 HD2 LYS 5 2HD LYS 5 -8.186 1.114 5.717 42 HD3 LYS 5 3HD LYS 5 -9.292 2.460 5.901 43 HE2 LYS 5 2HE LYS 5 -11.133 0.714 6.397 44 HE3 LYS 5 3HE LYS 5 -9.853 -0.480 6.490 45 HZ1 LYS 5 1HZ LYS 5 -9.364 0.229 8.500 46 HZ2 LYS 5 2HZ LYS 5 -9.177 1.776 8.010 47 HZ3 LYS 5 3HZ LYS 5 -10.650 1.235 8.463 48 H LEU 6 H LEU 6 -7.970 -2.328 4.253 49 HA LEU 6 HA LEU 6 -6.541 -3.927 2.414 50 HB2 LEU 6 2HB LEU 6 -6.705 -3.871 5.060 51 HB3 LEU 6 3HB LEU 6 -7.939 -5.083 4.780 52 HG LEU 6 HG LEU 6 -5.051 -5.242 3.871 53 HD11 LEU 6 1HD1 LEU 6 -6.104 -7.267 5.729 54 HD12 LEU 6 2HD1 LEU 6 -4.552 -6.396 5.727 55 HD13 LEU 6 3HD1 LEU 6 -6.005 -5.622 6.402 56 HD21 LEU 6 1HD2 LEU 6 -7.310 -7.238 3.557 57 HD22 LEU 6 2HD2 LEU 6 -6.474 -6.352 2.259 58 HD23 LEU 6 3HD2 LEU 6 -5.593 -7.564 3.220 59 H ILE 7 H ILE 7 -9.979 -3.618 3.370 60 HA ILE 7 HA ILE 7 -10.625 -5.781 1.514 61 HB ILE 7 HB ILE 7 -12.126 -4.444 3.753 62 HG12 ILE 7 2HG1 ILE 7 -10.386 -6.448 3.934 63 HG13 ILE 7 3HG1 ILE 7 -11.822 -6.359 4.935 64 HG21 ILE 7 1HG2 ILE 7 -13.654 -4.717 1.839 65 HG22 ILE 7 2HG2 ILE 7 -13.245 -6.448 1.773 66 HG23 ILE 7 3HG2 ILE 7 -14.073 -5.782 3.202 67 HD11 ILE 7 1HD1 ILE 7 -11.445 -8.613 3.825 68 HD12 ILE 7 2HD1 ILE 7 -13.035 -7.886 3.487 69 HD13 ILE 7 3HD1 ILE 7 -11.748 -7.822 2.260 70 HA PRO 8 HA PRO 8 -11.088 -2.588 -1.522 71 HB2 PRO 8 2HB PRO 8 -12.469 -4.904 -2.860 72 HB3 PRO 8 3HB PRO 8 -11.345 -3.784 -3.542 73 HG2 PRO 8 2HG PRO 8 -10.462 -6.221 -2.817 74 HG3 PRO 8 3HG PRO 8 -9.469 -4.818 -2.435 75 HD2 PRO 8 2HD PRO 8 -11.230 -6.394 -0.564 76 HD3 PRO 8 3HD PRO 8 -9.673 -5.691 -0.259 77 H LEU 9 H LEU 9 -12.634 -1.430 0.043 78 HA LEU 9 HA LEU 9 -14.921 -0.730 -1.385 79 HB2 LEU 9 2HB LEU 9 -16.674 -1.783 -0.416 80 HB3 LEU 9 3HB LEU 9 -15.489 -3.075 -0.402 81 HG LEU 9 HG LEU 9 -14.959 -2.189 2.017 82 HD11 LEU 9 1HD1 LEU 9 -17.626 -1.585 2.670 83 HD12 LEU 9 2HD1 LEU 9 -16.211 -0.506 2.739 84 HD13 LEU 9 3HD1 LEU 9 -17.219 -0.561 1.273 85 HD21 LEU 9 1HD2 LEU 9 -16.960 -3.634 2.841 86 HD22 LEU 9 2HD2 LEU 9 -17.225 -3.938 1.107 87 HD23 LEU 9 3HD2 LEU 9 -15.675 -4.381 1.862 88 H ALA 10 H ALA 10 -13.166 -0.977 1.723 89 HA ALA 10 HA ALA 10 -14.254 1.617 2.507 90 HB1 ALA 10 1HB ALA 10 -13.091 -0.754 3.870 91 HB2 ALA 10 2HB ALA 10 -12.627 0.824 4.553 92 HB3 ALA 10 3HB ALA 10 -14.346 0.382 4.420 93 H TYR 11 H TYR 11 -12.917 3.442 2.855 94 HA TYR 11 HA TYR 11 -10.117 3.134 2.054 95 HB2 TYR 11 2HB TYR 11 -10.467 5.170 0.606 96 HB3 TYR 11 3HB TYR 11 -11.522 3.869 0.091 97 HD1 TYR 11 1HD TYR 11 -13.817 4.261 -0.148 98 HD2 TYR 11 2HD TYR 11 -11.494 6.905 2.286 99 HE1 TYR 11 1HE TYR 11 -15.825 5.799 0.111 100 HE2 TYR 11 2HE TYR 11 -13.510 8.434 2.536 101 HH TYR 11 HH TYR 11 -15.750 8.752 0.823 102 H LYS 12 H LYS 12 -8.856 5.222 2.547 103 HA LYS 12 HA LYS 12 -10.050 6.880 4.578 104 HB2 LYS 12 2HB LYS 12 -8.601 6.312 6.364 105 HB3 LYS 12 3HB LYS 12 -9.294 4.808 5.790 106 HG2 LYS 12 2HG LYS 12 -6.663 5.746 4.624 107 HG3 LYS 12 3HG LYS 12 -6.671 5.018 6.219 108 HD2 LYS 12 2HD LYS 12 -7.391 2.923 5.420 109 HD3 LYS 12 3HD LYS 12 -8.153 3.606 3.998 110 HE2 LYS 12 2HE LYS 12 -6.255 3.383 2.763 111 HE3 LYS 12 3HE LYS 12 -5.284 4.186 3.982 112 HZ1 LYS 12 1HZ LYS 12 -6.067 1.354 3.993 113 HZ2 LYS 12 2HZ LYS 12 -4.569 1.949 3.726 114 HZ3 LYS 12 3HZ LYS 12 -5.252 2.086 5.204 115 H THR 13 H THR 13 -9.045 8.896 4.702 116 HA THR 13 HA THR 13 -7.375 9.552 2.495 117 HB THR 13 HB THR 13 -8.473 11.015 4.940 118 HG1 THR 13 1HG THR 13 -9.436 12.079 2.852 119 HG21 THR 13 1HG2 THR 13 -7.793 13.105 3.614 120 HG22 THR 13 2HG2 THR 13 -6.440 12.250 4.392 121 HG23 THR 13 3HG2 THR 13 -6.732 12.052 2.647 122 H CYS 14 H CYS 14 -5.221 10.319 2.467 123 HA CYS 14 HA CYS 14 -3.566 8.876 4.275 124 HB2 CYS 14 2HB CYS 14 -2.665 10.946 2.278 125 HB3 CYS 14 3HB CYS 14 -1.738 9.621 2.954 126 HA PRO 15 HA PRO 15 -3.846 12.023 7.404 127 HB2 PRO 15 2HB PRO 15 -1.390 10.554 8.329 128 HB3 PRO 15 3HB PRO 15 -2.745 11.079 9.264 129 HG2 PRO 15 2HG PRO 15 -2.610 8.492 8.545 130 HG3 PRO 15 3HG PRO 15 -4.159 9.318 8.408 131 HD2 PRO 15 2HD PRO 15 -2.223 8.655 6.187 132 HD3 PRO 15 3HD PRO 15 -3.957 8.560 6.184 133 H ALA 16 H ALA 16 -2.130 13.404 8.826 134 HA ALA 16 HA ALA 16 -1.101 15.281 7.010 135 HB1 ALA 16 1HB ALA 16 -1.403 16.438 8.915 136 HB2 ALA 16 2HB ALA 16 -1.466 14.945 9.880 137 HB3 ALA 16 3HB ALA 16 0.102 15.705 9.518 138 H GLY 17 H GLY 17 0.727 15.173 5.815 139 HA2 GLY 17 1HA GLY 17 3.081 15.035 5.725 140 HA3 GLY 17 2HA GLY 17 3.064 13.823 6.990 141 H LYS 18 H LYS 18 0.701 12.374 5.754 142 HA LYS 18 HA LYS 18 2.259 11.008 3.687 143 HB2 LYS 18 2HB LYS 18 0.047 10.101 5.539 144 HB3 LYS 18 3HB LYS 18 0.550 9.158 4.151 145 HG2 LYS 18 2HG LYS 18 2.870 9.064 5.005 146 HG3 LYS 18 3HG LYS 18 2.450 10.110 6.346 147 HD2 LYS 18 2HD LYS 18 0.551 8.138 6.643 148 HD3 LYS 18 3HD LYS 18 1.864 7.209 5.946 149 HE2 LYS 18 2HE LYS 18 2.417 9.109 8.248 150 HE3 LYS 18 3HE LYS 18 1.743 7.524 8.569 151 HZ1 LYS 18 1HZ LYS 18 4.356 8.217 7.560 152 HZ2 LYS 18 2HZ LYS 18 3.916 7.017 8.577 153 HZ3 LYS 18 3HZ LYS 18 3.690 6.848 6.968 154 H ASN 19 H ASN 19 1.814 11.676 1.657 155 HA ASN 19 HA ASN 19 -1.002 12.165 1.084 156 HB2 ASN 19 2HB ASN 19 -0.401 13.991 -0.386 157 HB3 ASN 19 3HB ASN 19 0.494 14.261 1.096 158 HD21 ASN 19 1HD2 ASN 19 2.706 13.814 1.200 159 HD22 ASN 19 2HD2 ASN 19 3.702 13.710 -0.213 160 H LEU 20 H LEU 20 1.288 9.928 0.796 161 HA LEU 20 HA LEU 20 0.732 9.405 -2.041 162 HB2 LEU 20 2HB LEU 20 3.276 9.035 -0.474 163 HB3 LEU 20 3HB LEU 20 2.961 8.157 -1.957 164 HG LEU 20 HG LEU 20 2.861 11.174 -1.831 165 HD11 LEU 20 1HD1 LEU 20 5.286 9.693 -2.806 166 HD12 LEU 20 2HD1 LEU 20 5.120 11.384 -2.277 167 HD13 LEU 20 3HD1 LEU 20 5.095 10.070 -1.077 168 HD21 LEU 20 1HD2 LEU 20 3.650 9.691 -4.279 169 HD22 LEU 20 2HD2 LEU 20 1.950 9.555 -3.770 170 HD23 LEU 20 3HD2 LEU 20 2.659 11.157 -4.084 171 H CYS 21 H CYS 21 0.449 7.145 -2.611 172 HA CYS 21 HA CYS 21 -0.507 5.631 -0.302 173 HB2 CYS 21 2HB CYS 21 -1.198 5.422 -3.237 174 HB3 CYS 21 3HB CYS 21 -1.763 4.305 -2.012 175 H TYR 22 H TYR 22 0.251 3.472 0.023 176 HA TYR 22 HA TYR 22 2.305 2.538 -1.845 177 HB2 TYR 22 2HB TYR 22 3.876 2.392 -0.056 178 HB3 TYR 22 3HB TYR 22 3.006 3.839 0.413 179 HD1 TYR 22 1HD TYR 22 2.031 3.979 2.536 180 HD2 TYR 22 2HD TYR 22 2.994 0.130 0.933 181 HE1 TYR 22 1HE TYR 22 1.439 2.897 4.759 182 HE2 TYR 22 2HE TYR 22 2.397 -0.938 3.162 183 HH TYR 22 HH TYR 22 0.599 0.161 5.261 184 H LYS 23 H LYS 23 2.820 0.189 -1.525 185 HA LYS 23 HA LYS 23 0.710 -1.251 -0.116 186 HB2 LYS 23 2HB LYS 23 0.190 -2.634 -2.005 187 HB3 LYS 23 3HB LYS 23 -0.031 -0.959 -2.468 188 HG2 LYS 23 2HG LYS 23 2.216 -0.948 -3.552 189 HG3 LYS 23 3HG LYS 23 2.470 -2.612 -3.064 190 HD2 LYS 23 2HD LYS 23 1.719 -2.654 -5.365 191 HD3 LYS 23 3HD LYS 23 0.398 -3.258 -4.382 192 HE2 LYS 23 2HE LYS 23 0.478 -0.294 -4.925 193 HE3 LYS 23 3HE LYS 23 0.034 -1.345 -6.255 194 HZ1 LYS 23 1HZ LYS 23 -1.337 -2.216 -4.023 195 HZ2 LYS 23 2HZ LYS 23 -1.512 -0.593 -4.071 196 HZ3 LYS 23 3HZ LYS 23 -1.952 -1.499 -5.357 197 H MET 24 H MET 24 1.492 -2.973 1.017 198 HA MET 24 HA MET 24 4.310 -3.541 0.577 199 HB2 MET 24 2HB MET 24 2.564 -3.238 2.905 200 HB3 MET 24 3HB MET 24 3.291 -4.833 2.943 201 HG2 MET 24 2HG MET 24 5.563 -3.748 2.596 202 HG3 MET 24 3HG MET 24 4.792 -2.180 2.712 203 HE1 MET 24 1HE MET 24 5.033 -5.400 5.934 204 HE2 MET 24 2HE MET 24 5.104 -5.582 4.164 205 HE3 MET 24 3HE MET 24 6.512 -4.950 5.051 206 H PHE 25 H PHE 25 4.810 -5.367 -0.547 207 HA PHE 25 HA PHE 25 2.856 -7.555 -0.435 208 HB2 PHE 25 2HB PHE 25 4.762 -6.406 -2.525 209 HB3 PHE 25 3HB PHE 25 4.292 -8.089 -2.654 210 HD1 PHE 25 1HD PHE 25 2.271 -5.124 -1.643 211 HD2 PHE 25 2HD PHE 25 2.883 -8.209 -4.490 212 HE1 PHE 25 1HE PHE 25 0.167 -4.444 -2.829 213 HE2 PHE 25 2HE PHE 25 0.778 -7.530 -5.678 214 HZ PHE 25 HZ PHE 25 -0.554 -5.656 -4.833 215 H MET 26 H MET 26 3.623 -9.712 -0.179 216 HA MET 26 HA MET 26 6.391 -9.803 0.748 217 HB2 MET 26 2HB MET 26 3.929 -11.444 1.565 218 HB3 MET 26 3HB MET 26 5.548 -11.779 2.146 219 HG2 MET 26 2HG MET 26 5.198 -9.007 2.611 220 HG3 MET 26 3HG MET 26 3.652 -9.717 3.030 221 HE1 MET 26 1HE MET 26 4.274 -11.972 5.962 222 HE2 MET 26 2HE MET 26 3.255 -10.603 5.456 223 HE3 MET 26 3HE MET 26 3.507 -11.980 4.356 224 H VAL 27 H VAL 27 7.723 -11.567 0.097 225 HA VAL 27 HA VAL 27 7.449 -12.491 -2.437 226 HB VAL 27 HB VAL 27 9.351 -12.602 -0.608 227 HG11 VAL 27 1HG1 VAL 27 8.167 -15.397 -0.531 228 HG12 VAL 27 2HG1 VAL 27 9.778 -14.955 0.083 229 HG13 VAL 27 3HG1 VAL 27 8.319 -14.259 0.829 230 HG21 VAL 27 1HG2 VAL 27 10.669 -13.740 -2.154 231 HG22 VAL 27 2HG2 VAL 27 9.345 -14.824 -2.643 232 HG23 VAL 27 3HG2 VAL 27 9.339 -13.121 -3.161 233 H SER 28 H SER 28 6.098 -13.857 0.590 234 HA SER 28 HA SER 28 5.402 -16.313 -0.150 235 HB2 SER 28 2HB SER 28 3.565 -16.173 1.431 236 HB3 SER 28 3HB SER 28 4.892 -15.207 2.046 237 HG SER 28 HG SER 28 3.614 -13.419 0.701 238 H ASN 29 H ASN 29 3.904 -13.234 -1.214 239 HA ASN 29 HA ASN 29 2.810 -14.564 -3.460 240 HB2 ASN 29 2HB ASN 29 1.077 -14.905 -1.550 241 HB3 ASN 29 3HB ASN 29 0.821 -13.173 -1.599 242 HD21 ASN 29 1HD2 ASN 29 -1.126 -15.136 -2.119 243 HD22 ASN 29 2HD2 ASN 29 -1.663 -14.993 -3.759 244 H LYS 30 H LYS 30 4.113 -12.953 -4.570 245 HA LYS 30 HA LYS 30 3.831 -10.187 -3.914 246 HB2 LYS 30 2HB LYS 30 5.604 -11.845 -5.452 247 HB3 LYS 30 3HB LYS 30 5.035 -10.537 -6.469 248 HG2 LYS 30 2HG LYS 30 5.600 -8.930 -4.547 249 HG3 LYS 30 3HG LYS 30 6.367 -10.281 -3.734 250 HD2 LYS 30 2HD LYS 30 7.180 -9.846 -6.585 251 HD3 LYS 30 3HD LYS 30 7.682 -8.606 -5.453 252 HE2 LYS 30 2HE LYS 30 9.320 -9.944 -4.635 253 HE3 LYS 30 3HE LYS 30 8.158 -11.195 -4.239 254 HZ1 LYS 30 1HZ LYS 30 9.113 -12.333 -5.853 255 HZ2 LYS 30 2HZ LYS 30 8.394 -11.337 -6.929 256 HZ3 LYS 30 3HZ LYS 30 9.925 -11.044 -6.441 257 H THR 31 H THR 31 1.729 -12.352 -5.307 258 HA THR 31 HA THR 31 0.757 -10.468 -7.326 259 HB THR 31 HB THR 31 0.059 -13.376 -6.652 260 HG1 THR 31 1HG THR 31 1.547 -13.723 -8.319 261 HG21 THR 31 1HG2 THR 31 -0.574 -12.659 -9.345 262 HG22 THR 31 2HG2 THR 31 -1.721 -13.113 -8.061 263 HG23 THR 31 3HG2 THR 31 -1.303 -11.401 -8.317 264 H VAL 32 H VAL 32 0.377 -11.148 -4.022 265 HA VAL 32 HA VAL 32 -2.148 -9.692 -4.068 266 HB VAL 32 HB VAL 32 -1.655 -12.334 -2.689 267 HG11 VAL 32 1HG1 VAL 32 -3.624 -12.076 -1.429 268 HG12 VAL 32 2HG1 VAL 32 -2.786 -10.515 -1.261 269 HG13 VAL 32 3HG1 VAL 32 -4.160 -10.671 -2.382 270 HG21 VAL 32 1HG2 VAL 32 -3.620 -13.082 -3.928 271 HG22 VAL 32 2HG2 VAL 32 -3.809 -11.465 -4.647 272 HG23 VAL 32 3HG2 VAL 32 -2.385 -12.456 -5.046 273 HA PRO 33 HA PRO 33 0.158 -7.456 -1.122 274 HB2 PRO 33 2HB PRO 33 -1.817 -5.798 -0.201 275 HB3 PRO 33 3HB PRO 33 -1.040 -5.594 -1.729 276 HG2 PRO 33 2HG PRO 33 -3.733 -6.884 -1.120 277 HG3 PRO 33 3HG PRO 33 -3.284 -5.826 -2.454 278 HD2 PRO 33 2HD PRO 33 -3.435 -8.547 -2.781 279 HD3 PRO 33 3HD PRO 33 -2.392 -7.541 -3.738 280 H VAL 34 H VAL 34 0.701 -7.091 1.069 281 HA VAL 34 HA VAL 34 -0.701 -8.920 2.882 282 HB VAL 34 HB VAL 34 1.865 -8.967 2.231 283 HG11 VAL 34 1HG1 VAL 34 1.962 -7.184 4.675 284 HG12 VAL 34 2HG1 VAL 34 3.303 -7.713 3.631 285 HG13 VAL 34 3HG1 VAL 34 2.106 -6.545 3.019 286 HG21 VAL 34 1HG2 VAL 34 0.310 -10.117 4.177 287 HG22 VAL 34 2HG2 VAL 34 2.023 -10.495 3.878 288 HG23 VAL 34 3HG2 VAL 34 1.578 -9.325 5.143 289 H LYS 35 H LYS 35 0.365 -5.560 2.321 290 HA LYS 35 HA LYS 35 -1.535 -4.685 4.295 291 HB2 LYS 35 2HB LYS 35 1.357 -4.756 4.867 292 HB3 LYS 35 3HB LYS 35 0.613 -3.192 5.131 293 HG2 LYS 35 2HG LYS 35 -1.134 -4.243 6.561 294 HG3 LYS 35 3HG LYS 35 -0.439 -5.825 6.270 295 HD2 LYS 35 2HD LYS 35 1.734 -4.221 7.150 296 HD3 LYS 35 3HD LYS 35 0.391 -3.766 8.180 297 HE2 LYS 35 2HE LYS 35 1.304 -5.608 9.334 298 HE3 LYS 35 3HE LYS 35 -0.012 -6.346 8.445 299 HZ1 LYS 35 1HZ LYS 35 2.803 -6.673 8.099 300 HZ2 LYS 35 2HZ LYS 35 1.582 -7.689 7.719 301 HZ3 LYS 35 3HZ LYS 35 1.991 -6.485 6.694 302 H ARG 36 H ARG 36 -2.108 -2.451 4.008 303 HA ARG 36 HA ARG 36 -0.780 -1.157 1.795 304 HB2 ARG 36 2HB ARG 36 -3.474 -0.530 1.338 305 HB3 ARG 36 3HB ARG 36 -2.515 -1.652 0.394 306 HG2 ARG 36 2HG ARG 36 -4.540 -2.805 1.103 307 HG3 ARG 36 3HG ARG 36 -3.185 -3.508 1.967 308 HD2 ARG 36 2HD ARG 36 -4.234 -1.243 3.477 309 HD3 ARG 36 3HD ARG 36 -5.542 -2.341 3.085 310 HE ARG 36 HE ARG 36 -3.521 -4.035 3.954 311 HH11 ARG 36 1HH1 ARG 36 -3.832 -3.745 7.418 312 HH12 ARG 36 2HH1 ARG 36 -3.238 -4.720 6.116 313 HH21 ARG 36 1HH2 ARG 36 -4.915 -1.743 6.968 314 HH22 ARG 36 2HH2 ARG 36 -5.129 -1.223 5.329 315 H GLY 37 H GLY 37 -1.033 1.195 1.825 316 HA2 GLY 37 1HA GLY 37 -2.740 2.599 3.527 317 HA3 GLY 37 2HA GLY 37 -1.254 2.306 4.409 318 H CYS 38 H CYS 38 -1.370 4.831 4.208 319 HA CYS 38 HA CYS 38 -0.223 5.640 1.644 320 HB2 CYS 38 2HB CYS 38 -1.516 7.285 3.826 321 HB3 CYS 38 3HB CYS 38 -0.767 7.952 2.388 322 H ILE 39 H ILE 39 1.656 7.188 1.777 323 HA ILE 39 HA ILE 39 3.049 7.212 4.317 324 HB ILE 39 HB ILE 39 3.617 5.076 3.031 325 HG12 ILE 39 2HG1 ILE 39 5.934 6.885 3.760 326 HG13 ILE 39 3HG1 ILE 39 4.893 6.123 4.947 327 HG21 ILE 39 1HG2 ILE 39 4.416 5.183 0.966 328 HG22 ILE 39 2HG2 ILE 39 4.145 6.942 0.977 329 HG23 ILE 39 3HG2 ILE 39 5.717 6.280 1.485 330 HD11 ILE 39 1HD1 ILE 39 5.463 3.921 3.502 331 HD12 ILE 39 2HD1 ILE 39 6.912 4.877 3.104 332 HD13 ILE 39 3HD1 ILE 39 6.536 4.494 4.802 333 H ASP 40 H ASP 40 4.940 8.724 4.248 334 HA ASP 40 HA ASP 40 4.181 10.979 2.691 335 HB2 ASP 40 2HB ASP 40 6.136 12.060 3.893 336 HB3 ASP 40 3HB ASP 40 4.918 11.383 4.955 337 HD2 ASP 40 HD ASP 40 7.287 11.870 5.888 338 H ALA 41 H ALA 41 7.134 8.883 3.120 339 HA ALA 41 HA ALA 41 8.079 9.847 0.510 340 HB1 ALA 41 1HB ALA 41 10.297 8.872 1.431 341 HB2 ALA 41 2HB ALA 41 9.701 10.391 2.140 342 HB3 ALA 41 3HB ALA 41 9.475 8.854 3.009 343 H CYS 42 H CYS 42 8.193 8.417 -1.169 344 HA CYS 42 HA CYS 42 6.889 6.038 -1.114 345 HB2 CYS 42 2HB CYS 42 7.454 7.179 -3.162 346 HB3 CYS 42 3HB CYS 42 9.167 6.917 -2.896 347 HA PRO 43 HA PRO 43 9.431 3.624 1.577 348 HB2 PRO 43 2HB PRO 43 8.041 1.397 0.113 349 HB3 PRO 43 3HB PRO 43 8.269 1.589 1.816 350 HG2 PRO 43 2HG PRO 43 5.873 2.205 0.757 351 HG3 PRO 43 3HG PRO 43 6.561 3.286 1.964 352 HD2 PRO 43 2HD PRO 43 6.493 3.672 -1.032 353 HD3 PRO 43 3HD PRO 43 6.229 4.843 0.222 354 H LYS 44 H LYS 44 10.642 1.273 1.440 355 HA LYS 44 HA LYS 44 12.483 1.588 -0.828 356 HB2 LYS 44 2HB LYS 44 13.126 1.923 1.763 357 HB3 LYS 44 3HB LYS 44 13.347 0.188 1.657 358 HG2 LYS 44 2HG LYS 44 15.003 0.373 -0.054 359 HG3 LYS 44 3HG LYS 44 14.534 2.011 -0.462 360 HD2 LYS 44 2HD LYS 44 15.216 2.167 2.271 361 HD3 LYS 44 3HD LYS 44 16.410 1.072 1.602 362 HE2 LYS 44 2HE LYS 44 17.118 2.701 -0.052 363 HE3 LYS 44 3HE LYS 44 15.743 3.737 0.280 364 HZ1 LYS 44 1HZ LYS 44 16.699 3.802 2.622 365 HZ2 LYS 44 2HZ LYS 44 18.083 3.252 1.953 366 HZ3 LYS 44 3HZ LYS 44 17.451 4.677 1.466 367 H ASN 45 H ASN 45 12.210 0.063 -2.358 368 HA ASN 45 HA ASN 45 10.633 -2.167 -1.945 369 HB2 ASN 45 2HB ASN 45 12.633 -1.322 -4.067 370 HB3 ASN 45 3HB ASN 45 11.968 -2.941 -4.134 371 HD21 ASN 45 1HD2 ASN 45 11.225 0.489 -4.136 372 HD22 ASN 45 2HD2 ASN 45 9.673 0.401 -4.899 373 H SER 46 H SER 46 11.303 -4.486 -1.901 374 HA SER 46 HA SER 46 14.091 -4.906 -1.245 375 HB2 SER 46 2HB SER 46 11.839 -6.050 0.460 376 HB3 SER 46 3HB SER 46 13.561 -6.212 0.748 377 HG SER 46 HG SER 46 11.996 -3.777 0.862 378 H LEU 47 H LEU 47 14.371 -7.502 -0.944 379 HA LEU 47 HA LEU 47 13.266 -8.602 -3.373 380 HB2 LEU 47 2HB LEU 47 14.838 -10.418 -2.981 381 HB3 LEU 47 3HB LEU 47 15.614 -8.847 -2.980 382 HG LEU 47 HG LEU 47 15.084 -9.245 -0.296 383 HD11 LEU 47 1HD1 LEU 47 14.715 -11.403 0.091 384 HD12 LEU 47 2HD1 LEU 47 15.068 -11.837 -1.599 385 HD13 LEU 47 3HD1 LEU 47 16.393 -11.707 -0.418 386 HD21 LEU 47 1HD2 LEU 47 17.531 -9.718 -0.132 387 HD22 LEU 47 2HD2 LEU 47 17.580 -9.826 -1.908 388 HD23 LEU 47 3HD2 LEU 47 17.121 -8.297 -1.123 389 H LEU 48 H LEU 48 13.092 -9.083 0.185 390 HA LEU 48 HA LEU 48 11.396 -11.372 -0.093 391 HB2 LEU 48 2HB LEU 48 13.042 -10.344 1.864 392 HB3 LEU 48 3HB LEU 48 11.442 -10.003 2.492 393 HG LEU 48 HG LEU 48 12.206 -12.109 3.361 394 HD11 LEU 48 1HD1 LEU 48 10.295 -13.219 1.410 395 HD12 LEU 48 2HD1 LEU 48 10.219 -13.139 3.187 396 HD13 LEU 48 3HD1 LEU 48 9.768 -11.719 2.213 397 HD21 LEU 48 1HD2 LEU 48 12.493 -14.047 1.655 398 HD22 LEU 48 2HD2 LEU 48 12.815 -12.743 0.488 399 HD23 LEU 48 3HD2 LEU 48 13.839 -12.917 1.933 400 H VAL 49 H VAL 49 11.013 -7.878 0.747 401 HA VAL 49 HA VAL 49 8.125 -8.265 0.354 402 HB VAL 49 HB VAL 49 9.628 -6.319 2.113 403 HG11 VAL 49 1HG1 VAL 49 7.474 -5.505 0.890 404 HG12 VAL 49 2HG1 VAL 49 6.628 -6.569 2.039 405 HG13 VAL 49 3HG1 VAL 49 7.639 -5.234 2.641 406 HG21 VAL 49 1HG2 VAL 49 8.203 -7.499 3.897 407 HG22 VAL 49 2HG2 VAL 49 7.934 -8.761 2.670 408 HG23 VAL 49 3HG2 VAL 49 9.586 -8.396 3.223 409 H LYS 50 H LYS 50 7.194 -7.176 -1.318 410 HA LYS 50 HA LYS 50 8.943 -5.351 -2.781 411 HB2 LYS 50 2HB LYS 50 7.956 -7.350 -3.926 412 HB3 LYS 50 3HB LYS 50 6.363 -6.668 -3.674 413 HG2 LYS 50 2HG LYS 50 7.088 -6.036 -5.905 414 HG3 LYS 50 3HG LYS 50 7.096 -4.589 -4.914 415 HD2 LYS 50 2HD LYS 50 9.445 -4.495 -4.812 416 HD3 LYS 50 3HD LYS 50 9.635 -6.215 -5.080 417 HE2 LYS 50 2HE LYS 50 9.210 -6.025 -7.426 418 HE3 LYS 50 3HE LYS 50 8.464 -4.449 -7.257 419 HZ1 LYS 50 1HZ LYS 50 10.949 -4.756 -7.992 420 HZ2 LYS 50 2HZ LYS 50 10.455 -3.444 -7.153 421 HZ3 LYS 50 3HZ LYS 50 11.205 -4.673 -6.381 422 H TYR 51 H TYR 51 8.694 -3.202 -2.527 423 HA TYR 51 HA TYR 51 6.124 -2.287 -1.442 424 HB2 TYR 51 2HB TYR 51 8.969 -1.103 -1.586 425 HB3 TYR 51 3HB TYR 51 7.618 -0.287 -0.824 426 HD1 TYR 51 1HD TYR 51 9.735 -3.350 -0.614 427 HD2 TYR 51 2HD TYR 51 7.058 -0.715 1.434 428 HE1 TYR 51 1HE TYR 51 10.271 -4.505 1.588 429 HE2 TYR 51 2HE TYR 51 7.602 -1.879 3.628 430 HH TYR 51 HH TYR 51 10.148 -4.279 3.812 431 H VAL 52 H VAL 52 4.793 -1.076 -2.701 432 HA VAL 52 HA VAL 52 6.015 0.267 -5.006 433 HB VAL 52 HB VAL 52 3.578 -1.500 -4.893 434 HG11 VAL 52 1HG1 VAL 52 3.041 0.707 -5.986 435 HG12 VAL 52 2HG1 VAL 52 4.293 0.338 -7.197 436 HG13 VAL 52 3HG1 VAL 52 2.866 -0.716 -7.041 437 HG21 VAL 52 1HG2 VAL 52 5.322 -1.716 -7.214 438 HG22 VAL 52 2HG2 VAL 52 6.218 -1.940 -5.693 439 HG23 VAL 52 3HG2 VAL 52 4.807 -2.964 -6.053 440 H CYS 53 H CYS 53 5.552 2.412 -5.096 441 HA CYS 53 HA CYS 53 3.447 3.333 -3.287 442 HB2 CYS 53 2HB CYS 53 4.576 5.457 -3.231 443 HB3 CYS 53 3HB CYS 53 5.673 4.172 -2.768 444 H CYS 54 H CYS 54 2.212 5.316 -4.131 445 HA CYS 54 HA CYS 54 2.224 5.645 -6.982 446 HB2 CYS 54 2HB CYS 54 -0.403 5.237 -6.835 447 HB3 CYS 54 3HB CYS 54 0.738 3.998 -7.320 448 H ASN 55 H ASN 55 0.808 7.530 -7.582 449 HA ASN 55 HA ASN 55 0.265 9.158 -5.224 450 HB2 ASN 55 2HB ASN 55 0.807 11.147 -6.667 451 HB3 ASN 55 3HB ASN 55 2.180 10.072 -6.488 452 HD21 ASN 55 1HD2 ASN 55 2.357 11.710 -8.500 453 HD22 ASN 55 2HD2 ASN 55 2.058 10.966 -10.036 454 H THR 56 H THR 56 -1.573 7.284 -6.576 455 HA THR 56 HA THR 56 -3.461 9.213 -7.761 456 HB THR 56 HB THR 56 -4.243 6.866 -8.856 457 HG1 THR 56 1HG THR 56 -2.451 5.823 -7.596 458 HG21 THR 56 1HG2 THR 56 -2.600 7.273 -10.758 459 HG22 THR 56 2HG2 THR 56 -3.503 8.730 -10.282 460 HG23 THR 56 3HG2 THR 56 -1.820 8.514 -9.748 461 H ASP 57 H ASP 57 -5.797 8.472 -7.546 462 HA ASP 57 HA ASP 57 -6.181 7.961 -4.780 463 HB2 ASP 57 2HB ASP 57 -8.283 8.831 -5.132 464 HB3 ASP 57 3HB ASP 57 -7.548 9.420 -6.609 465 HD2 ASP 57 HD ASP 57 -8.507 8.758 -8.452 466 H ARG 58 H ARG 58 -7.457 6.125 -3.920 467 HA ARG 58 HA ARG 58 -7.647 3.952 -3.723 468 HB2 ARG 58 2HB ARG 58 -9.398 4.841 -5.975 469 HB3 ARG 58 3HB ARG 58 -9.178 3.106 -5.873 470 HG2 ARG 58 2HG ARG 58 -10.537 2.961 -4.058 471 HG3 ARG 58 3HG ARG 58 -9.634 4.196 -3.206 472 HD2 ARG 58 2HD ARG 58 -11.667 5.305 -3.405 473 HD3 ARG 58 3HD ARG 58 -10.919 5.837 -4.898 474 HE ARG 58 HE ARG 58 -12.169 3.443 -5.587 475 HH11 ARG 58 1HH1 ARG 58 -15.440 4.549 -6.094 476 HH12 ARG 58 2HH1 ARG 58 -14.289 3.299 -6.430 477 HH21 ARG 58 1HH2 ARG 58 -14.831 6.369 -4.790 478 HH22 ARG 58 2HH2 ARG 58 -13.225 6.478 -4.151 479 H CYS 59 H CYS 59 -5.121 4.281 -4.672 480 HA CYS 59 HA CYS 59 -4.767 2.845 -7.128 481 HB2 CYS 59 2HB CYS 59 -2.586 3.501 -7.067 482 HB3 CYS 59 3HB CYS 59 -3.353 4.804 -6.183 483 H ASN 60 H ASN 60 -4.124 2.403 -3.583 484 HA ASN 60 HA ASN 60 -3.642 -0.406 -4.149 485 HB2 ASN 60 2HB ASN 60 -2.536 -0.492 -1.956 486 HB3 ASN 60 3HB ASN 60 -1.885 0.866 -2.851 487 HD21 ASN 60 1HD2 ASN 60 -4.352 -0.055 -0.483 488 HD22 ASN 60 2HD2 ASN 60 -4.378 1.429 0.411 Start of MODEL 14 1 H1 LEU 1 H LEU 1 -5.856 13.342 0.083 2 HA LEU 1 HA LEU 1 -6.037 12.232 -2.232 3 HB2 LEU 1 2HB LEU 1 -3.469 12.378 -2.299 4 HB3 LEU 1 3HB LEU 1 -3.488 10.967 -1.260 5 HG LEU 1 HG LEU 1 -5.229 10.400 -3.433 6 HD11 LEU 1 1HD1 LEU 1 -4.418 11.864 -4.977 7 HD12 LEU 1 2HD1 LEU 1 -2.812 11.961 -4.216 8 HD13 LEU 1 3HD1 LEU 1 -3.247 10.542 -5.199 9 HD21 LEU 1 1HD2 LEU 1 -2.963 8.936 -3.904 10 HD22 LEU 1 2HD2 LEU 1 -2.796 9.334 -2.179 11 HD23 LEU 1 3HD2 LEU 1 -4.256 8.500 -2.762 12 H LYS 2 H LYS 2 -6.684 9.888 -2.221 13 HA LYS 2 HA LYS 2 -7.151 8.976 0.531 14 HB2 LYS 2 2HB LYS 2 -9.091 9.426 -1.697 15 HB3 LYS 2 3HB LYS 2 -9.340 8.026 -0.673 16 HG2 LYS 2 2HG LYS 2 -8.941 9.758 1.309 17 HG3 LYS 2 3HG LYS 2 -9.341 10.955 0.093 18 HD2 LYS 2 2HD LYS 2 -11.278 8.842 -0.138 19 HD3 LYS 2 3HD LYS 2 -11.128 9.217 1.568 20 HE2 LYS 2 2HE LYS 2 -11.819 11.461 1.281 21 HE3 LYS 2 3HE LYS 2 -11.353 11.499 -0.408 22 HZ1 LYS 2 1HZ LYS 2 -13.333 9.538 0.125 23 HZ2 LYS 2 2HZ LYS 2 -13.834 11.040 0.527 24 HZ3 LYS 2 3HZ LYS 2 -13.326 10.728 -0.993 25 H CYS 3 H CYS 3 -7.036 6.720 0.875 26 HA CYS 3 HA CYS 3 -6.116 5.213 -1.461 27 HB2 CYS 3 2HB CYS 3 -5.005 4.845 1.319 28 HB3 CYS 3 3HB CYS 3 -4.449 4.102 -0.167 29 H ASN 4 H ASN 4 -6.811 2.981 -1.478 30 HA ASN 4 HA ASN 4 -9.228 2.593 -0.061 31 HB2 ASN 4 2HB ASN 4 -8.349 1.706 -2.458 32 HB3 ASN 4 3HB ASN 4 -7.811 0.338 -1.502 33 HD21 ASN 4 1HD2 ASN 4 -10.645 2.492 -1.730 34 HD22 ASN 4 2HD2 ASN 4 -11.861 1.260 -1.662 35 H LYS 5 H LYS 5 -9.575 0.377 1.143 36 HA LYS 5 HA LYS 5 -7.344 0.044 2.980 37 HB2 LYS 5 2HB LYS 5 -10.245 -0.828 3.115 38 HB3 LYS 5 3HB LYS 5 -9.049 -1.183 4.345 39 HG2 LYS 5 2HG LYS 5 -9.065 1.673 3.589 40 HG3 LYS 5 3HG LYS 5 -10.619 1.136 4.194 41 HD2 LYS 5 2HD LYS 5 -9.654 0.367 6.279 42 HD3 LYS 5 3HD LYS 5 -8.021 0.511 5.660 43 HE2 LYS 5 2HE LYS 5 -8.233 2.970 5.541 44 HE3 LYS 5 3HE LYS 5 -9.919 2.881 6.010 45 HZ1 LYS 5 1HZ LYS 5 -8.282 3.356 7.813 46 HZ2 LYS 5 2HZ LYS 5 -9.329 2.142 8.125 47 HZ3 LYS 5 3HZ LYS 5 -7.787 1.803 7.706 48 H LEU 6 H LEU 6 -7.817 -2.585 3.864 49 HA LEU 6 HA LEU 6 -6.392 -4.014 1.907 50 HB2 LEU 6 2HB LEU 6 -6.627 -4.215 4.542 51 HB3 LEU 6 3HB LEU 6 -7.850 -5.395 4.111 52 HG LEU 6 HG LEU 6 -4.970 -5.479 3.167 53 HD11 LEU 6 1HD1 LEU 6 -5.884 -7.574 5.006 54 HD12 LEU 6 2HD1 LEU 6 -4.372 -6.635 4.985 55 HD13 LEU 6 3HD1 LEU 6 -5.835 -5.949 5.730 56 HD21 LEU 6 1HD2 LEU 6 -7.265 -6.761 2.155 57 HD22 LEU 6 2HD2 LEU 6 -5.560 -7.091 1.765 58 HD23 LEU 6 3HD2 LEU 6 -6.366 -7.995 3.069 59 H ILE 7 H ILE 7 -9.854 -3.881 2.868 60 HA ILE 7 HA ILE 7 -10.436 -5.769 0.711 61 HB ILE 7 HB ILE 7 -12.073 -4.809 3.057 62 HG12 ILE 7 2HG1 ILE 7 -10.660 -7.406 2.428 63 HG13 ILE 7 3HG1 ILE 7 -10.407 -6.340 3.797 64 HG21 ILE 7 1HG2 ILE 7 -13.004 -7.056 1.343 65 HG22 ILE 7 2HG2 ILE 7 -13.930 -5.849 2.268 66 HG23 ILE 7 3HG2 ILE 7 -13.197 -5.404 0.707 67 HD11 ILE 7 1HD1 ILE 7 -12.585 -6.877 4.729 68 HD12 ILE 7 2HD1 ILE 7 -13.058 -7.747 3.251 69 HD13 ILE 7 3HD1 ILE 7 -11.788 -8.412 4.306 70 HA PRO 8 HA PRO 8 -11.361 -2.369 -1.868 71 HB2 PRO 8 2HB PRO 8 -12.856 -3.778 -3.739 72 HB3 PRO 8 3HB PRO 8 -11.130 -3.681 -3.723 73 HG2 PRO 8 2HG PRO 8 -12.924 -5.879 -2.603 74 HG3 PRO 8 3HG PRO 8 -11.412 -6.025 -3.493 75 HD2 PRO 8 2HD PRO 8 -11.404 -6.316 -0.798 76 HD3 PRO 8 3HD PRO 8 -10.066 -5.580 -1.627 77 H LEU 9 H LEU 9 -12.752 -1.464 0.037 78 HA LEU 9 HA LEU 9 -15.140 -0.544 -1.104 79 HB2 LEU 9 2HB LEU 9 -16.814 -1.688 -0.095 80 HB3 LEU 9 3HB LEU 9 -15.660 -2.983 -0.348 81 HG LEU 9 HG LEU 9 -14.889 -2.300 2.112 82 HD11 LEU 9 1HD1 LEU 9 -16.408 -1.277 3.459 83 HD12 LEU 9 2HD1 LEU 9 -16.829 -0.481 1.924 84 HD13 LEU 9 3HD1 LEU 9 -17.805 -1.846 2.516 85 HD21 LEU 9 1HD2 LEU 9 -17.309 -4.017 1.493 86 HD22 LEU 9 2HD2 LEU 9 -15.605 -4.523 1.411 87 HD23 LEU 9 3HD2 LEU 9 -16.329 -4.086 2.977 88 H ALA 10 H ALA 10 -13.048 -1.138 1.725 89 HA ALA 10 HA ALA 10 -14.065 1.273 3.001 90 HB1 ALA 10 1HB ALA 10 -12.165 -0.951 3.822 91 HB2 ALA 10 2HB ALA 10 -12.415 0.513 4.804 92 HB3 ALA 10 3HB ALA 10 -13.779 -0.583 4.478 93 H TYR 11 H TYR 11 -12.848 3.164 3.267 94 HA TYR 11 HA TYR 11 -10.145 3.176 2.182 95 HB2 TYR 11 2HB TYR 11 -10.808 5.138 0.746 96 HB3 TYR 11 3HB TYR 11 -11.762 3.732 0.320 97 HD1 TYR 11 1HD TYR 11 -14.143 3.554 1.126 98 HD2 TYR 11 2HD TYR 11 -11.832 7.121 1.608 99 HE1 TYR 11 1HE TYR 11 -16.272 4.887 1.519 100 HE2 TYR 11 2HE TYR 11 -13.969 8.443 2.001 101 HH TYR 11 HH TYR 11 -16.811 7.574 1.116 102 H LYS 12 H LYS 12 -8.964 5.198 2.735 103 HA LYS 12 HA LYS 12 -10.217 6.902 4.691 104 HB2 LYS 12 2HB LYS 12 -9.388 4.792 5.902 105 HB3 LYS 12 3HB LYS 12 -7.768 5.362 5.557 106 HG2 LYS 12 2HG LYS 12 -7.907 6.688 7.390 107 HG3 LYS 12 3HG LYS 12 -9.111 7.643 6.552 108 HD2 LYS 12 2HD LYS 12 -9.741 5.145 8.196 109 HD3 LYS 12 3HD LYS 12 -9.886 6.785 8.798 110 HE2 LYS 12 2HE LYS 12 -11.711 7.294 7.375 111 HE3 LYS 12 3HE LYS 12 -11.301 6.036 6.227 112 HZ1 LYS 12 1HZ LYS 12 -13.006 5.089 7.353 113 HZ2 LYS 12 2HZ LYS 12 -11.771 4.523 8.258 114 HZ3 LYS 12 3HZ LYS 12 -12.653 5.794 8.783 115 H THR 13 H THR 13 -9.131 8.905 4.904 116 HA THR 13 HA THR 13 -7.479 9.550 2.668 117 HB THR 13 HB THR 13 -8.482 11.062 5.132 118 HG1 THR 13 1HG THR 13 -10.168 10.805 3.676 119 HG21 THR 13 1HG2 THR 13 -6.296 11.957 3.868 120 HG22 THR 13 2HG2 THR 13 -7.471 12.386 2.601 121 HG23 THR 13 3HG2 THR 13 -7.634 13.071 4.235 122 H CYS 14 H CYS 14 -5.318 10.294 2.636 123 HA CYS 14 HA CYS 14 -3.680 8.850 4.461 124 HB2 CYS 14 2HB CYS 14 -2.824 10.858 2.374 125 HB3 CYS 14 3HB CYS 14 -1.826 9.641 3.145 126 HA PRO 15 HA PRO 15 -3.921 12.055 7.534 127 HB2 PRO 15 2HB PRO 15 -1.498 10.560 8.500 128 HB3 PRO 15 3HB PRO 15 -2.849 11.124 9.417 129 HG2 PRO 15 2HG PRO 15 -2.754 8.523 8.743 130 HG3 PRO 15 3HG PRO 15 -4.287 9.373 8.580 131 HD2 PRO 15 2HD PRO 15 -2.342 8.643 6.386 132 HD3 PRO 15 3HD PRO 15 -4.075 8.566 6.372 133 H ALA 16 H ALA 16 -2.188 13.430 8.942 134 HA ALA 16 HA ALA 16 -1.132 15.270 7.114 135 HB1 ALA 16 1HB ALA 16 0.065 15.435 9.756 136 HB2 ALA 16 2HB ALA 16 -1.111 16.524 8.981 137 HB3 ALA 16 3HB ALA 16 -1.678 15.096 9.880 138 H GLY 17 H GLY 17 0.700 15.175 5.922 139 HA2 GLY 17 1HA GLY 17 3.034 14.972 5.775 140 HA3 GLY 17 2HA GLY 17 3.024 13.778 7.058 141 H LYS 18 H LYS 18 0.598 12.373 5.852 142 HA LYS 18 HA LYS 18 2.111 10.939 3.798 143 HB2 LYS 18 2HB LYS 18 0.105 10.147 5.866 144 HB3 LYS 18 3HB LYS 18 0.114 9.254 4.359 145 HG2 LYS 18 2HG LYS 18 2.323 8.473 4.669 146 HG3 LYS 18 3HG LYS 18 2.746 9.780 5.759 147 HD2 LYS 18 2HD LYS 18 0.678 7.653 6.477 148 HD3 LYS 18 3HD LYS 18 2.384 7.467 6.836 149 HE2 LYS 18 2HE LYS 18 2.385 9.446 8.263 150 HE3 LYS 18 3HE LYS 18 0.773 9.894 7.746 151 HZ1 LYS 18 1HZ LYS 18 1.550 7.621 9.414 152 HZ2 LYS 18 2HZ LYS 18 0.498 8.821 9.761 153 HZ3 LYS 18 3HZ LYS 18 0.094 7.669 8.676 154 H ASN 19 H ASN 19 1.685 11.706 1.790 155 HA ASN 19 HA ASN 19 -1.134 12.184 1.215 156 HB2 ASN 19 2HB ASN 19 -0.513 14.009 -0.265 157 HB3 ASN 19 3HB ASN 19 0.342 14.281 1.242 158 HD21 ASN 19 1HD2 ASN 19 1.051 15.327 -1.277 159 HD22 ASN 19 2HD2 ASN 19 2.606 14.714 -1.734 160 H LEU 20 H LEU 20 1.165 9.949 0.904 161 HA LEU 20 HA LEU 20 0.592 9.442 -1.932 162 HB2 LEU 20 2HB LEU 20 3.150 9.277 -0.398 163 HB3 LEU 20 3HB LEU 20 2.865 8.128 -1.689 164 HG LEU 20 HG LEU 20 2.476 11.044 -2.260 165 HD11 LEU 20 1HD1 LEU 20 4.976 11.003 -2.962 166 HD12 LEU 20 2HD1 LEU 20 4.549 11.300 -1.259 167 HD13 LEU 20 3HD1 LEU 20 5.115 9.691 -1.767 168 HD21 LEU 20 1HD2 LEU 20 2.064 10.113 -4.244 169 HD22 LEU 20 2HD2 LEU 20 3.821 9.842 -4.357 170 HD23 LEU 20 3HD2 LEU 20 2.757 8.548 -3.753 171 H CYS 21 H CYS 21 0.352 7.170 -2.513 172 HA CYS 21 HA CYS 21 -0.593 5.642 -0.207 173 HB2 CYS 21 2HB CYS 21 -1.288 5.399 -3.140 174 HB3 CYS 21 3HB CYS 21 -1.875 4.329 -1.881 175 H TYR 22 H TYR 22 0.160 3.467 0.080 176 HA TYR 22 HA TYR 22 2.219 2.568 -1.796 177 HB2 TYR 22 2HB TYR 22 3.799 2.413 -0.014 178 HB3 TYR 22 3HB TYR 22 2.928 3.856 0.463 179 HD1 TYR 22 1HD TYR 22 1.998 3.990 2.602 180 HD2 TYR 22 2HD TYR 22 2.888 0.141 0.959 181 HE1 TYR 22 1HE TYR 22 1.415 2.898 4.823 182 HE2 TYR 22 2HE TYR 22 2.303 -0.937 3.185 183 HH TYR 22 HH TYR 22 1.233 -0.584 5.127 184 H LYS 23 H LYS 23 2.727 0.224 -1.540 185 HA LYS 23 HA LYS 23 0.620 -1.236 -0.136 186 HB2 LYS 23 2HB LYS 23 0.031 -2.537 -2.003 187 HB3 LYS 23 3HB LYS 23 0.032 -0.885 -2.581 188 HG2 LYS 23 2HG LYS 23 2.389 -1.230 -3.440 189 HG3 LYS 23 3HG LYS 23 2.290 -2.910 -2.948 190 HD2 LYS 23 2HD LYS 23 1.753 -2.545 -5.387 191 HD3 LYS 23 3HD LYS 23 0.471 -3.349 -4.504 192 HE2 LYS 23 2HE LYS 23 0.313 -0.361 -4.545 193 HE3 LYS 23 3HE LYS 23 0.084 -1.144 -6.096 194 HZ1 LYS 23 1HZ LYS 23 -1.387 -2.628 -4.378 195 HZ2 LYS 23 2HZ LYS 23 -1.637 -1.101 -3.853 196 HZ3 LYS 23 3HZ LYS 23 -1.968 -1.496 -5.403 197 H MET 24 H MET 24 1.397 -2.943 1.021 198 HA MET 24 HA MET 24 4.221 -3.506 0.617 199 HB2 MET 24 2HB MET 24 2.359 -3.362 2.940 200 HB3 MET 24 3HB MET 24 3.404 -4.768 2.991 201 HG2 MET 24 2HG MET 24 5.400 -3.246 2.642 202 HG3 MET 24 3HG MET 24 4.323 -1.865 2.710 203 HE1 MET 24 1HE MET 24 6.351 -4.169 5.744 204 HE2 MET 24 2HE MET 24 4.885 -5.161 5.549 205 HE3 MET 24 3HE MET 24 5.876 -4.748 4.130 206 H PHE 25 H PHE 25 4.732 -5.351 -0.473 207 HA PHE 25 HA PHE 25 2.783 -7.543 -0.330 208 HB2 PHE 25 2HB PHE 25 4.676 -6.418 -2.449 209 HB3 PHE 25 3HB PHE 25 4.199 -8.101 -2.552 210 HD1 PHE 25 1HD PHE 25 2.706 -8.320 -4.297 211 HD2 PHE 25 2HD PHE 25 2.267 -5.036 -1.646 212 HE1 PHE 25 1HE PHE 25 0.596 -7.649 -5.479 213 HE2 PHE 25 2HE PHE 25 0.157 -4.364 -2.827 214 HZ PHE 25 HZ PHE 25 -0.653 -5.678 -4.729 215 H MET 26 H MET 26 3.565 -9.692 -0.054 216 HA MET 26 HA MET 26 6.333 -9.753 0.873 217 HB2 MET 26 2HB MET 26 3.839 -11.322 1.710 218 HB3 MET 26 3HB MET 26 5.448 -11.804 2.211 219 HG2 MET 26 2HG MET 26 4.419 -8.977 2.697 220 HG3 MET 26 3HG MET 26 4.086 -10.274 3.826 221 HE1 MET 26 1HE MET 26 5.279 -11.204 5.268 222 HE2 MET 26 2HE MET 26 7.041 -11.234 5.515 223 HE3 MET 26 3HE MET 26 6.080 -9.868 6.130 224 H VAL 27 H VAL 27 7.686 -11.505 0.234 225 HA VAL 27 HA VAL 27 7.432 -12.441 -2.300 226 HB VAL 27 HB VAL 27 9.327 -12.525 -0.459 227 HG11 VAL 27 1HG1 VAL 27 8.260 -14.211 0.951 228 HG12 VAL 27 2HG1 VAL 27 8.224 -15.356 -0.412 229 HG13 VAL 27 3HG1 VAL 27 9.782 -14.838 0.276 230 HG21 VAL 27 1HG2 VAL 27 9.121 -13.279 -3.076 231 HG22 VAL 27 2HG2 VAL 27 10.619 -13.348 -2.117 232 HG23 VAL 27 3HG2 VAL 27 9.621 -14.807 -2.313 233 H SER 28 H SER 28 6.001 -13.735 0.705 234 HA SER 28 HA SER 28 5.362 -16.231 -0.008 235 HB2 SER 28 2HB SER 28 3.492 -14.260 1.382 236 HB3 SER 28 3HB SER 28 3.378 -16.006 1.473 237 HG SER 28 HG SER 28 5.900 -15.450 2.152 238 H ASN 29 H ASN 29 3.828 -13.174 -1.103 239 HA ASN 29 HA ASN 29 2.791 -14.526 -3.362 240 HB2 ASN 29 2HB ASN 29 1.032 -14.913 -1.503 241 HB3 ASN 29 3HB ASN 29 0.766 -13.181 -1.504 242 HD21 ASN 29 1HD2 ASN 29 -0.867 -15.594 -2.280 243 HD22 ASN 29 2HD2 ASN 29 -1.494 -15.247 -3.857 244 H LYS 30 H LYS 30 4.063 -12.900 -4.477 245 HA LYS 30 HA LYS 30 3.744 -10.139 -3.824 246 HB2 LYS 30 2HB LYS 30 5.540 -11.775 -5.358 247 HB3 LYS 30 3HB LYS 30 4.957 -10.474 -6.376 248 HG2 LYS 30 2HG LYS 30 5.509 -8.851 -4.481 249 HG3 LYS 30 3HG LYS 30 6.259 -10.187 -3.629 250 HD2 LYS 30 2HD LYS 30 7.111 -9.737 -6.480 251 HD3 LYS 30 3HD LYS 30 7.645 -8.560 -5.296 252 HE2 LYS 30 2HE LYS 30 8.020 -11.571 -4.947 253 HE3 LYS 30 3HE LYS 30 9.235 -10.529 -5.661 254 HZ1 LYS 30 1HZ LYS 30 9.265 -9.258 -3.627 255 HZ2 LYS 30 2HZ LYS 30 8.117 -10.210 -2.961 256 HZ3 LYS 30 3HZ LYS 30 9.588 -10.828 -3.313 257 H THR 31 H THR 31 1.679 -12.334 -5.225 258 HA THR 31 HA THR 31 0.698 -10.494 -7.272 259 HB THR 31 HB THR 31 -0.025 -13.369 -6.496 260 HG1 THR 31 1HG THR 31 1.573 -13.762 -7.996 261 HG21 THR 31 1HG2 THR 31 -1.359 -11.432 -8.242 262 HG22 THR 31 2HG2 THR 31 -0.680 -12.769 -9.201 263 HG23 THR 31 3HG2 THR 31 -1.826 -13.112 -7.882 264 H VAL 32 H VAL 32 0.280 -11.156 -3.943 265 HA VAL 32 HA VAL 32 -2.179 -9.593 -4.011 266 HB VAL 32 HB VAL 32 -1.825 -12.281 -2.683 267 HG11 VAL 32 1HG1 VAL 32 -3.811 -11.956 -1.436 268 HG12 VAL 32 2HG1 VAL 32 -2.841 -10.486 -1.175 269 HG13 VAL 32 3HG1 VAL 32 -4.213 -10.458 -2.310 270 HG21 VAL 32 1HG2 VAL 32 -2.616 -12.049 -5.121 271 HG22 VAL 32 2HG2 VAL 32 -3.614 -13.025 -4.015 272 HG23 VAL 32 3HG2 VAL 32 -4.111 -11.367 -4.435 273 HA PRO 33 HA PRO 33 0.159 -7.483 -1.003 274 HB2 PRO 33 2HB PRO 33 -1.782 -5.795 -0.054 275 HB3 PRO 33 3HB PRO 33 -0.985 -5.574 -1.572 276 HG2 PRO 33 2HG PRO 33 -3.713 -6.813 -1.015 277 HG3 PRO 33 3HG PRO 33 -3.229 -5.733 -2.319 278 HD2 PRO 33 2HD PRO 33 -3.447 -8.438 -2.719 279 HD3 PRO 33 3HD PRO 33 -2.363 -7.438 -3.635 280 H VAL 34 H VAL 34 0.659 -7.115 1.216 281 HA VAL 34 HA VAL 34 -0.774 -8.974 2.976 282 HB VAL 34 HB VAL 34 1.779 -9.086 2.359 283 HG11 VAL 34 1HG1 VAL 34 2.353 -6.798 2.938 284 HG12 VAL 34 2HG1 VAL 34 1.739 -7.028 4.593 285 HG13 VAL 34 3HG1 VAL 34 3.181 -7.919 4.046 286 HG21 VAL 34 1HG2 VAL 34 0.407 -10.444 4.048 287 HG22 VAL 34 2HG2 VAL 34 2.162 -10.332 4.325 288 HG23 VAL 34 3HG2 VAL 34 1.044 -9.331 5.283 289 H LYS 35 H LYS 35 0.342 -5.620 2.485 290 HA LYS 35 HA LYS 35 -1.578 -4.738 4.423 291 HB2 LYS 35 2HB LYS 35 1.378 -4.573 4.985 292 HB3 LYS 35 3HB LYS 35 0.277 -3.366 5.617 293 HG2 LYS 35 2HG LYS 35 -1.125 -5.549 6.352 294 HG3 LYS 35 3HG LYS 35 0.457 -6.303 6.270 295 HD2 LYS 35 2HD LYS 35 1.219 -4.175 7.684 296 HD3 LYS 35 3HD LYS 35 -0.485 -4.069 8.081 297 HE2 LYS 35 2HE LYS 35 -0.359 -6.556 8.757 298 HE3 LYS 35 3HE LYS 35 1.383 -6.425 8.602 299 HZ1 LYS 35 1HZ LYS 35 0.030 -5.839 10.806 300 HZ2 LYS 35 2HZ LYS 35 1.510 -5.238 10.464 301 HZ3 LYS 35 3HZ LYS 35 0.176 -4.347 10.156 302 H ARG 36 H ARG 36 -2.205 -2.580 4.052 303 HA ARG 36 HA ARG 36 -0.710 -1.248 1.952 304 HB2 ARG 36 2HB ARG 36 -2.736 -0.689 0.733 305 HB3 ARG 36 3HB ARG 36 -2.772 -2.419 1.016 306 HG2 ARG 36 2HG ARG 36 -4.199 -0.344 2.747 307 HG3 ARG 36 3HG ARG 36 -4.972 -1.302 1.501 308 HD2 ARG 36 2HD ARG 36 -5.395 -2.814 3.159 309 HD3 ARG 36 3HD ARG 36 -3.710 -3.272 2.998 310 HE ARG 36 HE ARG 36 -4.071 -0.969 4.758 311 HH11 ARG 36 1HH1 ARG 36 -3.548 -2.836 7.660 312 HH12 ARG 36 2HH1 ARG 36 -3.656 -1.243 6.988 313 HH21 ARG 36 1HH2 ARG 36 -3.826 -4.692 6.294 314 HH22 ARG 36 2HH2 ARG 36 -4.140 -4.485 4.604 315 H GLY 37 H GLY 37 -1.010 1.136 1.946 316 HA2 GLY 37 1HA GLY 37 -2.645 2.515 3.749 317 HA3 GLY 37 2HA GLY 37 -1.104 2.240 4.535 318 H CYS 38 H CYS 38 -1.199 4.746 4.375 319 HA CYS 38 HA CYS 38 -0.282 5.599 1.736 320 HB2 CYS 38 2HB CYS 38 -1.313 7.245 4.055 321 HB3 CYS 38 3HB CYS 38 -0.767 7.887 2.518 322 H ILE 39 H ILE 39 1.665 6.990 1.657 323 HA ILE 39 HA ILE 39 3.304 6.858 4.077 324 HB ILE 39 HB ILE 39 3.751 4.970 2.405 325 HG12 ILE 39 2HG1 ILE 39 6.052 6.769 3.218 326 HG13 ILE 39 3HG1 ILE 39 5.224 5.661 4.294 327 HG21 ILE 39 1HG2 ILE 39 5.309 5.586 0.566 328 HG22 ILE 39 2HG2 ILE 39 3.653 6.196 0.339 329 HG23 ILE 39 3HG2 ILE 39 4.942 7.300 0.878 330 HD11 ILE 39 1HD1 ILE 39 7.335 5.094 2.399 331 HD12 ILE 39 2HD1 ILE 39 6.582 3.998 3.584 332 HD13 ILE 39 3HD1 ILE 39 5.888 4.158 1.953 333 H ASP 40 H ASP 40 5.105 8.457 4.045 334 HA ASP 40 HA ASP 40 4.115 10.864 2.863 335 HB2 ASP 40 2HB ASP 40 6.116 11.870 4.099 336 HB3 ASP 40 3HB ASP 40 4.925 11.076 5.109 337 HD2 ASP 40 HD ASP 40 8.262 10.720 5.919 338 H ALA 41 H ALA 41 6.703 8.451 2.454 339 HA ALA 41 HA ALA 41 7.569 9.867 0.048 340 HB1 ALA 41 1HB ALA 41 9.938 8.890 0.869 341 HB2 ALA 41 2HB ALA 41 9.370 10.516 1.319 342 HB3 ALA 41 3HB ALA 41 9.191 9.163 2.461 343 H CYS 42 H CYS 42 8.812 8.353 -1.436 344 HA CYS 42 HA CYS 42 7.380 5.882 -1.525 345 HB2 CYS 42 2HB CYS 42 7.960 7.361 -3.502 346 HB3 CYS 42 3HB CYS 42 9.609 6.783 -3.351 347 HA PRO 43 HA PRO 43 10.555 3.988 0.944 348 HB2 PRO 43 2HB PRO 43 9.421 1.492 1.082 349 HB3 PRO 43 3HB PRO 43 8.924 2.823 2.063 350 HG2 PRO 43 2HG PRO 43 7.650 1.764 -0.496 351 HG3 PRO 43 3HG PRO 43 6.875 2.349 0.973 352 HD2 PRO 43 2HD PRO 43 7.087 3.941 -1.249 353 HD3 PRO 43 3HD PRO 43 7.023 4.586 0.363 354 H LYS 44 H LYS 44 11.746 1.682 1.040 355 HA LYS 44 HA LYS 44 12.976 1.441 -1.596 356 HB2 LYS 44 2HB LYS 44 14.466 2.027 0.233 357 HB3 LYS 44 3HB LYS 44 13.935 0.645 1.168 358 HG2 LYS 44 2HG LYS 44 14.717 -0.824 -0.816 359 HG3 LYS 44 3HG LYS 44 15.487 0.615 -1.455 360 HD2 LYS 44 2HD LYS 44 16.510 0.771 1.019 361 HD3 LYS 44 3HD LYS 44 16.153 -0.944 1.046 362 HE2 LYS 44 2HE LYS 44 17.968 -1.395 -0.241 363 HE3 LYS 44 3HE LYS 44 17.404 -0.306 -1.492 364 HZ1 LYS 44 1HZ LYS 44 18.576 1.421 -0.607 365 HZ2 LYS 44 2HZ LYS 44 18.627 0.805 0.904 366 HZ3 LYS 44 3HZ LYS 44 19.583 0.181 -0.265 367 H ASN 45 H ASN 45 13.253 -0.593 -2.627 368 HA ASN 45 HA ASN 45 11.161 -2.417 -1.926 369 HB2 ASN 45 2HB ASN 45 13.226 -2.538 -4.190 370 HB3 ASN 45 3HB ASN 45 11.801 -3.550 -4.064 371 HD21 ASN 45 1HD2 ASN 45 13.037 -0.340 -4.631 372 HD22 ASN 45 2HD2 ASN 45 11.615 0.357 -5.333 373 H SER 46 H SER 46 11.597 -4.763 -1.572 374 HA SER 46 HA SER 46 14.346 -5.237 -0.720 375 HB2 SER 46 2HB SER 46 11.811 -6.379 0.539 376 HB3 SER 46 3HB SER 46 13.451 -6.698 1.070 377 HG SER 46 HG SER 46 12.981 -3.974 0.914 378 H LEU 47 H LEU 47 14.625 -7.837 -0.461 379 HA LEU 47 HA LEU 47 13.937 -8.870 -3.073 380 HB2 LEU 47 2HB LEU 47 15.510 -10.639 -2.533 381 HB3 LEU 47 3HB LEU 47 16.216 -9.048 -2.341 382 HG LEU 47 HG LEU 47 15.073 -10.158 0.140 383 HD11 LEU 47 1HD1 LEU 47 17.562 -11.449 0.011 384 HD12 LEU 47 2HD1 LEU 47 15.948 -12.197 0.050 385 HD13 LEU 47 3HD1 LEU 47 16.731 -11.853 -1.511 386 HD21 LEU 47 1HD2 LEU 47 16.566 -8.795 1.083 387 HD22 LEU 47 2HD2 LEU 47 17.902 -9.424 0.090 388 HD23 LEU 47 3HD2 LEU 47 16.837 -8.152 -0.554 389 H LEU 48 H LEU 48 12.772 -8.969 0.198 390 HA LEU 48 HA LEU 48 11.267 -11.410 -0.415 391 HB2 LEU 48 2HB LEU 48 12.610 -10.415 1.952 392 HB3 LEU 48 3HB LEU 48 10.922 -10.756 2.279 393 HG LEU 48 HG LEU 48 11.953 -12.953 0.783 394 HD11 LEU 48 1HD1 LEU 48 13.894 -13.639 1.796 395 HD12 LEU 48 2HD1 LEU 48 14.148 -11.877 1.753 396 HD13 LEU 48 3HD1 LEU 48 13.613 -12.663 3.258 397 HD21 LEU 48 1HD2 LEU 48 10.820 -12.461 3.503 398 HD22 LEU 48 2HD2 LEU 48 10.223 -13.487 2.177 399 HD23 LEU 48 3HD2 LEU 48 11.595 -14.029 3.171 400 H VAL 49 H VAL 49 10.999 -8.085 1.003 401 HA VAL 49 HA VAL 49 8.120 -8.228 0.512 402 HB VAL 49 HB VAL 49 9.755 -6.213 2.065 403 HG11 VAL 49 1HG1 VAL 49 6.758 -6.696 1.949 404 HG12 VAL 49 2HG1 VAL 49 7.584 -5.538 3.018 405 HG13 VAL 49 3HG1 VAL 49 7.629 -5.309 1.254 406 HG21 VAL 49 1HG2 VAL 49 9.964 -7.842 3.592 407 HG22 VAL 49 2HG2 VAL 49 8.221 -7.628 3.882 408 HG23 VAL 49 3HG2 VAL 49 8.788 -8.890 2.763 409 H LYS 50 H LYS 50 7.054 -6.705 -0.816 410 HA LYS 50 HA LYS 50 8.878 -5.070 -2.440 411 HB2 LYS 50 2HB LYS 50 8.182 -6.928 -3.785 412 HB3 LYS 50 3HB LYS 50 6.506 -6.738 -3.309 413 HG2 LYS 50 2HG LYS 50 6.459 -5.639 -5.361 414 HG3 LYS 50 3HG LYS 50 6.808 -4.283 -4.306 415 HD2 LYS 50 2HD LYS 50 8.808 -3.932 -5.315 416 HD3 LYS 50 3HD LYS 50 9.305 -5.585 -5.012 417 HE2 LYS 50 2HE LYS 50 9.301 -5.643 -7.331 418 HE3 LYS 50 3HE LYS 50 7.633 -6.101 -7.055 419 HZ1 LYS 50 1HZ LYS 50 6.901 -4.071 -7.684 420 HZ2 LYS 50 2HZ LYS 50 8.245 -3.272 -7.215 421 HZ3 LYS 50 3HZ LYS 50 8.248 -4.131 -8.603 422 H TYR 51 H TYR 51 8.533 -2.935 -2.180 423 HA TYR 51 HA TYR 51 5.854 -2.133 -1.267 424 HB2 TYR 51 2HB TYR 51 8.585 -0.720 -1.090 425 HB3 TYR 51 3HB TYR 51 7.129 -0.240 -0.240 426 HD1 TYR 51 1HD TYR 51 9.710 -2.914 -0.456 427 HD2 TYR 51 2HD TYR 51 6.582 -1.163 1.880 428 HE1 TYR 51 1HE TYR 51 10.398 -4.331 1.540 429 HE2 TYR 51 2HE TYR 51 7.281 -2.586 3.868 430 HH TYR 51 HH TYR 51 8.721 -3.993 4.653 431 H VAL 52 H VAL 52 4.634 -1.142 -2.789 432 HA VAL 52 HA VAL 52 6.080 0.378 -4.848 433 HB VAL 52 HB VAL 52 3.656 -1.395 -4.969 434 HG11 VAL 52 1HG1 VAL 52 2.828 0.565 -6.021 435 HG12 VAL 52 2HG1 VAL 52 4.375 0.870 -6.847 436 HG13 VAL 52 3HG1 VAL 52 3.360 -0.508 -7.338 437 HG21 VAL 52 1HG2 VAL 52 6.090 -2.141 -5.448 438 HG22 VAL 52 2HG2 VAL 52 4.821 -2.574 -6.620 439 HG23 VAL 52 3HG2 VAL 52 5.919 -1.213 -6.957 440 H CYS 53 H CYS 53 5.596 2.524 -5.030 441 HA CYS 53 HA CYS 53 3.418 3.461 -3.317 442 HB2 CYS 53 2HB CYS 53 4.548 5.518 -3.090 443 HB3 CYS 53 3HB CYS 53 5.719 4.248 -2.789 444 H CYS 54 H CYS 54 1.999 5.157 -4.209 445 HA CYS 54 HA CYS 54 2.223 5.599 -7.061 446 HB2 CYS 54 2HB CYS 54 -0.384 5.110 -7.071 447 HB3 CYS 54 3HB CYS 54 0.815 3.888 -7.451 448 H ASN 55 H ASN 55 0.834 7.463 -7.727 449 HA ASN 55 HA ASN 55 0.130 9.071 -5.398 450 HB2 ASN 55 2HB ASN 55 0.654 11.069 -6.839 451 HB3 ASN 55 3HB ASN 55 2.053 10.040 -6.603 452 HD21 ASN 55 1HD2 ASN 55 0.474 11.804 -8.801 453 HD22 ASN 55 2HD2 ASN 55 0.873 10.989 -10.276 454 H THR 56 H THR 56 -1.614 7.140 -6.776 455 HA THR 56 HA THR 56 -3.468 8.972 -8.153 456 HB THR 56 HB THR 56 -4.275 6.559 -9.015 457 HG1 THR 56 1HG THR 56 -2.636 5.048 -8.704 458 HG21 THR 56 1HG2 THR 56 -3.207 7.058 -10.998 459 HG22 THR 56 2HG2 THR 56 -2.728 8.558 -10.167 460 HG23 THR 56 3HG2 THR 56 -1.615 7.169 -10.211 461 H ASP 57 H ASP 57 -5.826 8.289 -7.927 462 HA ASP 57 HA ASP 57 -6.320 8.177 -5.144 463 HB2 ASP 57 2HB ASP 57 -8.491 8.818 -5.701 464 HB3 ASP 57 3HB ASP 57 -7.626 9.387 -7.114 465 HD2 ASP 57 HD ASP 57 -9.675 6.951 -5.935 466 H ARG 58 H ARG 58 -7.296 6.415 -3.973 467 HA ARG 58 HA ARG 58 -7.430 4.288 -3.485 468 HB2 ARG 58 2HB ARG 58 -9.472 4.972 -5.479 469 HB3 ARG 58 3HB ARG 58 -9.111 3.258 -5.538 470 HG2 ARG 58 2HG ARG 58 -10.180 2.874 -3.568 471 HG3 ARG 58 3HG ARG 58 -9.295 4.153 -2.761 472 HD2 ARG 58 2HD ARG 58 -11.542 4.901 -2.644 473 HD3 ARG 58 3HD ARG 58 -10.898 5.802 -4.002 474 HE ARG 58 HE ARG 58 -11.899 3.441 -5.128 475 HH11 ARG 58 1HH1 ARG 58 -15.260 4.318 -5.473 476 HH12 ARG 58 2HH1 ARG 58 -14.001 3.254 -6.004 477 HH21 ARG 58 1HH2 ARG 58 -14.811 5.934 -3.869 478 HH22 ARG 58 2HH2 ARG 58 -13.218 6.077 -3.204 479 H CYS 59 H CYS 59 -5.140 4.884 -5.237 480 HA CYS 59 HA CYS 59 -4.873 3.213 -7.385 481 HB2 CYS 59 2HB CYS 59 -2.599 3.621 -7.293 482 HB3 CYS 59 3HB CYS 59 -3.307 5.034 -6.537 483 H ASN 60 H ASN 60 -4.193 2.627 -3.868 484 HA ASN 60 HA ASN 60 -3.900 -0.189 -4.518 485 HB2 ASN 60 2HB ASN 60 -2.731 -0.416 -2.405 486 HB3 ASN 60 3HB ASN 60 -2.098 1.034 -3.159 487 HD21 ASN 60 1HD2 ASN 60 -4.497 -0.169 -0.856 488 HD22 ASN 60 2HD2 ASN 60 -4.542 1.220 0.177 Start of MODEL 15 1 H1 LEU 1 H LEU 1 -5.026 13.184 -0.029 2 HA LEU 1 HA LEU 1 -5.928 11.844 -2.478 3 HB2 LEU 1 2HB LEU 1 -3.431 12.527 -2.317 4 HB3 LEU 1 3HB LEU 1 -3.302 11.211 -1.167 5 HG LEU 1 HG LEU 1 -4.593 9.984 -3.260 6 HD11 LEU 1 1HD1 LEU 1 -2.450 11.559 -4.646 7 HD12 LEU 1 2HD1 LEU 1 -3.840 10.677 -5.323 8 HD13 LEU 1 3HD1 LEU 1 -4.090 12.235 -4.498 9 HD21 LEU 1 1HD2 LEU 1 -2.377 8.972 -3.756 10 HD22 LEU 1 2HD2 LEU 1 -1.624 10.186 -2.695 11 HD23 LEU 1 3HD2 LEU 1 -2.776 9.008 -2.021 12 H LYS 2 H LYS 2 -6.697 9.729 -2.221 13 HA LYS 2 HA LYS 2 -6.852 8.849 0.579 14 HB2 LYS 2 2HB LYS 2 -8.955 8.796 -1.596 15 HB3 LYS 2 3HB LYS 2 -9.058 7.795 -0.160 16 HG2 LYS 2 2HG LYS 2 -9.615 9.563 1.183 17 HG3 LYS 2 3HG LYS 2 -8.411 10.614 0.464 18 HD2 LYS 2 2HD LYS 2 -9.878 11.077 -1.457 19 HD3 LYS 2 3HD LYS 2 -11.047 9.896 -0.901 20 HE2 LYS 2 2HE LYS 2 -11.573 11.228 1.077 21 HE3 LYS 2 3HE LYS 2 -10.240 12.321 0.766 22 HZ1 LYS 2 1HZ LYS 2 -11.532 13.474 -0.569 23 HZ2 LYS 2 2HZ LYS 2 -11.892 12.172 -1.488 24 HZ3 LYS 2 3HZ LYS 2 -12.802 12.525 -0.178 25 H CYS 3 H CYS 3 -6.584 6.612 0.988 26 HA CYS 3 HA CYS 3 -5.632 5.113 -1.343 27 HB2 CYS 3 2HB CYS 3 -4.518 4.984 1.464 28 HB3 CYS 3 3HB CYS 3 -3.996 4.010 0.102 29 H ASN 4 H ASN 4 -6.249 2.868 -1.374 30 HA ASN 4 HA ASN 4 -8.671 2.363 -0.062 31 HB2 ASN 4 2HB ASN 4 -7.549 1.393 -2.320 32 HB3 ASN 4 3HB ASN 4 -7.001 0.128 -1.238 33 HD21 ASN 4 1HD2 ASN 4 -9.555 1.376 -3.066 34 HD22 ASN 4 2HD2 ASN 4 -10.824 0.305 -2.574 35 H LYS 5 H LYS 5 -9.000 0.272 1.308 36 HA LYS 5 HA LYS 5 -6.849 0.145 3.268 37 HB2 LYS 5 2HB LYS 5 -9.738 -0.770 3.378 38 HB3 LYS 5 3HB LYS 5 -8.583 -0.944 4.686 39 HG2 LYS 5 2HG LYS 5 -8.664 1.807 3.598 40 HG3 LYS 5 3HG LYS 5 -10.217 1.283 4.221 41 HD2 LYS 5 2HD LYS 5 -7.605 1.040 5.784 42 HD3 LYS 5 3HD LYS 5 -8.697 2.401 5.935 43 HE2 LYS 5 2HE LYS 5 -9.605 1.130 7.628 44 HE3 LYS 5 3HE LYS 5 -10.490 0.387 6.311 45 HZ1 LYS 5 1HZ LYS 5 -7.965 -0.802 6.555 46 HZ2 LYS 5 2HZ LYS 5 -8.718 -0.833 8.003 47 HZ3 LYS 5 3HZ LYS 5 -9.438 -1.492 6.694 48 H LEU 6 H LEU 6 -7.319 -2.394 4.364 49 HA LEU 6 HA LEU 6 -5.789 -3.976 2.644 50 HB2 LEU 6 2HB LEU 6 -6.242 -3.985 5.252 51 HB3 LEU 6 3HB LEU 6 -7.449 -5.178 4.813 52 HG LEU 6 HG LEU 6 -4.483 -5.351 4.211 53 HD11 LEU 6 1HD1 LEU 6 -5.038 -5.625 6.597 54 HD12 LEU 6 2HD1 LEU 6 -6.163 -6.938 6.172 55 HD13 LEU 6 3HD1 LEU 6 -4.420 -7.125 5.865 56 HD21 LEU 6 1HD2 LEU 6 -5.521 -7.866 3.842 57 HD22 LEU 6 2HD2 LEU 6 -6.791 -6.823 3.156 58 HD23 LEU 6 3HD2 LEU 6 -5.120 -6.707 2.552 59 H ILE 7 H ILE 7 -9.323 -3.821 3.318 60 HA ILE 7 HA ILE 7 -9.724 -5.857 1.260 61 HB ILE 7 HB ILE 7 -11.562 -4.696 3.354 62 HG12 ILE 7 2HG1 ILE 7 -10.093 -7.322 3.090 63 HG13 ILE 7 3HG1 ILE 7 -10.008 -6.155 4.394 64 HG21 ILE 7 1HG2 ILE 7 -13.344 -5.806 2.492 65 HG22 ILE 7 2HG2 ILE 7 -12.472 -5.485 0.974 66 HG23 ILE 7 3HG2 ILE 7 -12.346 -7.080 1.754 67 HD11 ILE 7 1HD1 ILE 7 -12.553 -7.666 3.656 68 HD12 ILE 7 2HD1 ILE 7 -11.418 -8.187 4.922 69 HD13 ILE 7 3HD1 ILE 7 -12.292 -6.646 5.090 70 HA PRO 8 HA PRO 8 -10.357 -2.638 -1.633 71 HB2 PRO 8 2HB PRO 8 -11.549 -4.203 -3.590 72 HB3 PRO 8 3HB PRO 8 -9.844 -4.061 -3.347 73 HG2 PRO 8 2HG PRO 8 -11.739 -6.231 -2.341 74 HG3 PRO 8 3HG PRO 8 -10.117 -6.395 -3.006 75 HD2 PRO 8 2HD PRO 8 -10.479 -6.515 -0.321 76 HD3 PRO 8 3HD PRO 8 -9.046 -5.811 -1.008 77 H LEU 9 H LEU 9 -11.995 -1.627 -0.025 78 HA LEU 9 HA LEU 9 -14.221 -0.842 -1.499 79 HB2 LEU 9 2HB LEU 9 -16.002 -2.001 -0.722 80 HB3 LEU 9 3HB LEU 9 -14.795 -3.273 -0.748 81 HG LEU 9 HG LEU 9 -14.415 -2.558 1.765 82 HD11 LEU 9 1HD1 LEU 9 -15.902 -1.223 2.749 83 HD12 LEU 9 2HD1 LEU 9 -16.438 -0.777 1.111 84 HD13 LEU 9 3HD1 LEU 9 -17.279 -2.069 2.001 85 HD21 LEU 9 1HD2 LEU 9 -15.160 -4.629 2.010 86 HD22 LEU 9 2HD2 LEU 9 -16.836 -4.043 1.900 87 HD23 LEU 9 3HD2 LEU 9 -15.971 -4.544 0.428 88 H ALA 10 H ALA 10 -12.556 -1.299 1.622 89 HA ALA 10 HA ALA 10 -13.776 1.159 2.616 90 HB1 ALA 10 1HB ALA 10 -13.544 0.207 4.644 91 HB2 ALA 10 2HB ALA 10 -13.091 -1.288 3.791 92 HB3 ALA 10 3HB ALA 10 -11.828 -0.164 4.349 93 H TYR 11 H TYR 11 -12.707 3.086 2.595 94 HA TYR 11 HA TYR 11 -9.811 2.977 2.098 95 HB2 TYR 11 2HB TYR 11 -10.261 5.010 0.642 96 HB3 TYR 11 3HB TYR 11 -11.111 3.598 0.047 97 HD1 TYR 11 1HD TYR 11 -13.590 3.333 0.623 98 HD2 TYR 11 2HD TYR 11 -11.437 6.978 1.240 99 HE1 TYR 11 1HE TYR 11 -15.781 4.619 0.719 100 HE2 TYR 11 2HE TYR 11 -13.635 8.252 1.335 101 HH TYR 11 HH TYR 11 -16.507 6.853 1.859 102 H LYS 12 H LYS 12 -8.737 5.151 2.643 103 HA LYS 12 HA LYS 12 -10.161 6.733 4.583 104 HB2 LYS 12 2HB LYS 12 -9.429 4.845 5.959 105 HB3 LYS 12 3HB LYS 12 -7.777 5.054 5.415 106 HG2 LYS 12 2HG LYS 12 -8.295 7.599 6.282 107 HG3 LYS 12 3HG LYS 12 -9.366 6.705 7.343 108 HD2 LYS 12 2HD LYS 12 -7.199 6.915 8.443 109 HD3 LYS 12 3HD LYS 12 -7.443 5.232 8.020 110 HE2 LYS 12 2HE LYS 12 -6.207 6.230 5.730 111 HE3 LYS 12 3HE LYS 12 -5.430 7.160 6.997 112 HZ1 LYS 12 1HZ LYS 12 -4.646 5.255 7.992 113 HZ2 LYS 12 2HZ LYS 12 -5.725 4.268 7.266 114 HZ3 LYS 12 3HZ LYS 12 -4.488 4.899 6.406 115 H THR 13 H THR 13 -9.211 8.795 4.869 116 HA THR 13 HA THR 13 -7.597 9.635 2.698 117 HB THR 13 HB THR 13 -8.629 10.917 5.274 118 HG1 THR 13 1HG THR 13 -10.202 11.558 3.785 119 HG21 THR 13 1HG2 THR 13 -6.491 12.054 4.370 120 HG22 THR 13 2HG2 THR 13 -7.399 12.347 2.867 121 HG23 THR 13 3HG2 THR 13 -7.950 13.074 4.396 122 H CYS 14 H CYS 14 -5.460 10.411 2.637 123 HA CYS 14 HA CYS 14 -3.730 8.928 4.345 124 HB2 CYS 14 2HB CYS 14 -2.912 11.067 2.386 125 HB3 CYS 14 3HB CYS 14 -1.956 9.727 2.989 126 HA PRO 15 HA PRO 15 -3.950 11.983 7.568 127 HB2 PRO 15 2HB PRO 15 -1.454 10.514 8.381 128 HB3 PRO 15 3HB PRO 15 -2.786 10.998 9.369 129 HG2 PRO 15 2HG PRO 15 -2.645 8.435 8.573 130 HG3 PRO 15 3HG PRO 15 -4.206 9.246 8.502 131 HD2 PRO 15 2HD PRO 15 -2.322 8.672 6.210 132 HD3 PRO 15 3HD PRO 15 -4.052 8.549 6.252 133 H ALA 16 H ALA 16 -2.207 13.341 8.979 134 HA ALA 16 HA ALA 16 -1.253 15.283 7.192 135 HB1 ALA 16 1HB ALA 16 -1.469 16.392 9.136 136 HB2 ALA 16 2HB ALA 16 -1.546 14.866 10.051 137 HB3 ALA 16 3HB ALA 16 0.030 15.609 9.689 138 H GLY 17 H GLY 17 0.522 15.206 5.917 139 HA2 GLY 17 1HA GLY 17 2.860 15.093 5.704 140 HA3 GLY 17 2HA GLY 17 2.930 13.897 6.982 141 H LYS 18 H LYS 18 0.533 12.394 5.864 142 HA LYS 18 HA LYS 18 2.050 10.948 3.840 143 HB2 LYS 18 2HB LYS 18 -0.213 10.245 5.699 144 HB3 LYS 18 3HB LYS 18 0.100 9.268 4.278 145 HG2 LYS 18 2HG LYS 18 2.509 9.035 5.026 146 HG3 LYS 18 3HG LYS 18 2.109 9.910 6.489 147 HD2 LYS 18 2HD LYS 18 0.422 7.515 5.762 148 HD3 LYS 18 3HD LYS 18 2.031 7.226 6.393 149 HE2 LYS 18 2HE LYS 18 1.548 8.291 8.473 150 HE3 LYS 18 3HE LYS 18 0.161 9.143 7.824 151 HZ1 LYS 18 1HZ LYS 18 0.318 6.227 8.160 152 HZ2 LYS 18 2HZ LYS 18 -0.463 7.248 9.169 153 HZ3 LYS 18 3HZ LYS 18 -0.984 7.060 7.633 154 H ASN 19 H ASN 19 1.767 11.729 1.810 155 HA ASN 19 HA ASN 19 -1.001 12.242 1.057 156 HB2 ASN 19 2HB ASN 19 -0.294 14.094 -0.335 157 HB3 ASN 19 3HB ASN 19 0.480 14.336 1.219 158 HD21 ASN 19 1HD2 ASN 19 1.282 15.363 -1.328 159 HD22 ASN 19 2HD2 ASN 19 2.873 14.776 -1.679 160 H LEU 20 H LEU 20 1.308 10.009 0.876 161 HA LEU 20 HA LEU 20 0.974 9.567 -2.010 162 HB2 LEU 20 2HB LEU 20 3.366 9.404 -0.259 163 HB3 LEU 20 3HB LEU 20 3.186 8.153 -1.473 164 HG LEU 20 HG LEU 20 2.842 10.967 -2.389 165 HD11 LEU 20 1HD1 LEU 20 4.712 11.518 -1.173 166 HD12 LEU 20 2HD1 LEU 20 5.397 9.878 -1.266 167 HD13 LEU 20 3HD1 LEU 20 5.449 10.947 -2.690 168 HD21 LEU 20 1HD2 LEU 20 4.421 9.843 -4.206 169 HD22 LEU 20 2HD2 LEU 20 3.761 8.353 -3.491 170 HD23 LEU 20 3HD2 LEU 20 2.662 9.572 -4.180 171 H CYS 21 H CYS 21 0.720 7.323 -2.670 172 HA CYS 21 HA CYS 21 -0.488 5.772 -0.509 173 HB2 CYS 21 2HB CYS 21 -0.977 5.918 -3.465 174 HB3 CYS 21 3HB CYS 21 -1.418 4.473 -2.575 175 H TYR 22 H TYR 22 0.130 3.534 -0.253 176 HA TYR 22 HA TYR 22 2.296 2.573 -1.945 177 HB2 TYR 22 2HB TYR 22 3.810 2.456 -0.108 178 HB3 TYR 22 3HB TYR 22 2.939 3.918 0.310 179 HD1 TYR 22 1HD TYR 22 1.790 4.085 2.360 180 HD2 TYR 22 2HD TYR 22 2.987 0.234 0.931 181 HE1 TYR 22 1HE TYR 22 1.120 3.045 4.580 182 HE2 TYR 22 2HE TYR 22 2.313 -0.793 3.156 183 HH TYR 22 HH TYR 22 1.540 -0.442 5.137 184 H LYS 23 H LYS 23 2.793 0.219 -1.462 185 HA LYS 23 HA LYS 23 0.692 -1.165 -0.033 186 HB2 LYS 23 2HB LYS 23 -0.244 -2.307 -1.806 187 HB3 LYS 23 3HB LYS 23 -0.016 -0.714 -2.496 188 HG2 LYS 23 2HG LYS 23 2.242 -1.533 -3.398 189 HG3 LYS 23 3HG LYS 23 1.789 -3.146 -2.877 190 HD2 LYS 23 2HD LYS 23 -0.182 -3.132 -4.347 191 HD3 LYS 23 3HD LYS 23 0.086 -1.451 -4.762 192 HE2 LYS 23 2HE LYS 23 1.975 -1.930 -6.097 193 HE3 LYS 23 3HE LYS 23 2.310 -3.439 -5.268 194 HZ1 LYS 23 1HZ LYS 23 1.102 -3.328 -7.584 195 HZ2 LYS 23 2HZ LYS 23 0.814 -4.526 -6.513 196 HZ3 LYS 23 3HZ LYS 23 -0.224 -3.271 -6.633 197 H MET 24 H MET 24 1.532 -2.894 1.037 198 HA MET 24 HA MET 24 4.266 -3.574 0.318 199 HB2 MET 24 2HB MET 24 2.654 -3.434 2.842 200 HB3 MET 24 3HB MET 24 3.748 -4.802 2.758 201 HG2 MET 24 2HG MET 24 5.579 -3.087 2.062 202 HG3 MET 24 3HG MET 24 4.455 -1.843 2.571 203 HE1 MET 24 1HE MET 24 4.680 -0.830 4.263 204 HE2 MET 24 2HE MET 24 4.115 -1.542 5.794 205 HE3 MET 24 3HE MET 24 5.839 -1.155 5.575 206 H PHE 25 H PHE 25 4.695 -5.520 -0.637 207 HA PHE 25 HA PHE 25 2.661 -7.613 -0.309 208 HB2 PHE 25 2HB PHE 25 4.291 -6.576 -2.682 209 HB3 PHE 25 3HB PHE 25 3.697 -8.224 -2.703 210 HD1 PHE 25 1HD PHE 25 2.249 -4.900 -1.768 211 HD2 PHE 25 2HD PHE 25 1.825 -8.482 -4.004 212 HE1 PHE 25 1HE PHE 25 0.040 -4.092 -2.644 213 HE2 PHE 25 2HE PHE 25 -0.385 -7.674 -4.880 214 HZ PHE 25 HZ PHE 25 -1.251 -5.488 -4.188 215 H MET 26 H MET 26 3.421 -9.782 -0.134 216 HA MET 26 HA MET 26 6.263 -9.893 0.501 217 HB2 MET 26 2HB MET 26 3.969 -11.759 1.329 218 HB3 MET 26 3HB MET 26 5.619 -11.869 1.908 219 HG2 MET 26 2HG MET 26 5.009 -9.215 2.471 220 HG3 MET 26 3HG MET 26 3.457 -9.992 2.714 221 HE1 MET 26 1HE MET 26 6.242 -8.725 4.135 222 HE2 MET 26 2HE MET 26 6.617 -9.610 5.633 223 HE3 MET 26 3HE MET 26 7.363 -10.107 4.095 224 H VAL 27 H VAL 27 7.593 -11.534 -0.388 225 HA VAL 27 HA VAL 27 7.098 -12.338 -2.943 226 HB VAL 27 HB VAL 27 9.197 -12.400 -1.339 227 HG11 VAL 27 1HG1 VAL 27 8.342 -15.314 -1.361 228 HG12 VAL 27 2HG1 VAL 27 9.856 -14.650 -0.700 229 HG13 VAL 27 3HG1 VAL 27 8.298 -14.242 0.060 230 HG21 VAL 27 1HG2 VAL 27 9.397 -12.566 -3.721 231 HG22 VAL 27 2HG2 VAL 27 10.322 -13.910 -3.010 232 HG23 VAL 27 3HG2 VAL 27 8.720 -14.213 -3.723 233 H SER 28 H SER 28 6.190 -13.929 0.140 234 HA SER 28 HA SER 28 5.578 -16.391 -0.614 235 HB2 SER 28 2HB SER 28 5.191 -15.507 1.653 236 HB3 SER 28 3HB SER 28 3.851 -14.534 1.082 237 HG SER 28 HG SER 28 3.428 -17.127 0.327 238 H ASN 29 H ASN 29 3.932 -13.402 -1.611 239 HA ASN 29 HA ASN 29 2.749 -14.674 -3.777 240 HB2 ASN 29 2HB ASN 29 1.242 -15.280 -1.630 241 HB3 ASN 29 3HB ASN 29 0.613 -13.663 -1.877 242 HD21 ASN 29 1HD2 ASN 29 -0.704 -13.212 -3.554 243 HD22 ASN 29 2HD2 ASN 29 -1.312 -14.377 -4.683 244 H LYS 30 H LYS 30 3.573 -12.843 -4.926 245 HA LYS 30 HA LYS 30 3.136 -10.198 -3.949 246 HB2 LYS 30 2HB LYS 30 4.759 -11.503 -5.932 247 HB3 LYS 30 3HB LYS 30 3.903 -10.174 -6.686 248 HG2 LYS 30 2HG LYS 30 5.358 -9.849 -4.029 249 HG3 LYS 30 3HG LYS 30 6.173 -9.627 -5.564 250 HD2 LYS 30 2HD LYS 30 3.628 -8.126 -4.797 251 HD3 LYS 30 3HD LYS 30 5.237 -7.497 -4.499 252 HE2 LYS 30 2HE LYS 30 5.567 -6.948 -6.701 253 HE3 LYS 30 3HE LYS 30 4.872 -8.448 -7.281 254 HZ1 LYS 30 1HZ LYS 30 3.110 -7.255 -7.798 255 HZ2 LYS 30 2HZ LYS 30 2.790 -7.056 -6.210 256 HZ3 LYS 30 3HZ LYS 30 3.654 -5.928 -7.015 257 H THR 31 H THR 31 1.058 -12.467 -5.227 258 HA THR 31 HA THR 31 -0.423 -10.565 -6.873 259 HB THR 31 HB THR 31 -0.648 -13.563 -6.305 260 HG1 THR 31 1HG THR 31 -0.014 -11.805 -8.570 261 HG21 THR 31 1HG2 THR 31 -2.794 -13.422 -7.094 262 HG22 THR 31 2HG2 THR 31 -2.613 -11.685 -7.438 263 HG23 THR 31 3HG2 THR 31 -2.088 -12.889 -8.639 264 H VAL 32 H VAL 32 -0.122 -11.314 -3.610 265 HA VAL 32 HA VAL 32 -2.784 -10.209 -3.145 266 HB VAL 32 HB VAL 32 -1.650 -12.731 -1.934 267 HG11 VAL 32 1HG1 VAL 32 -2.620 -12.165 -0.000 268 HG12 VAL 32 2HG1 VAL 32 -3.384 -10.728 -0.722 269 HG13 VAL 32 3HG1 VAL 32 -4.184 -12.313 -0.835 270 HG21 VAL 32 1HG2 VAL 32 -3.117 -12.538 -4.159 271 HG22 VAL 32 2HG2 VAL 32 -3.317 -13.875 -3.002 272 HG23 VAL 32 3HG2 VAL 32 -4.441 -12.495 -2.971 273 HA PRO 33 HA PRO 33 -0.082 -7.630 -0.833 274 HB2 PRO 33 2HB PRO 33 -1.973 -5.873 0.091 275 HB3 PRO 33 3HB PRO 33 -1.338 -5.833 -1.515 276 HG2 PRO 33 2HG PRO 33 -3.957 -7.043 -0.532 277 HG3 PRO 33 3HG PRO 33 -3.640 -6.127 -2.001 278 HD2 PRO 33 2HD PRO 33 -3.808 -8.865 -2.040 279 HD3 PRO 33 3HD PRO 33 -2.856 -7.966 -3.181 280 H VAL 34 H VAL 34 0.606 -6.959 1.268 281 HA VAL 34 HA VAL 34 -0.593 -8.609 3.378 282 HB VAL 34 HB VAL 34 1.906 -8.731 2.505 283 HG11 VAL 34 1HG1 VAL 34 2.111 -6.621 4.677 284 HG12 VAL 34 2HG1 VAL 34 3.446 -7.378 3.776 285 HG13 VAL 34 3HG1 VAL 34 2.306 -6.300 2.938 286 HG21 VAL 34 1HG2 VAL 34 1.676 -8.757 5.486 287 HG22 VAL 34 2HG2 VAL 34 0.597 -9.822 4.552 288 HG23 VAL 34 3HG2 VAL 34 2.362 -9.969 4.378 289 H LYS 35 H LYS 35 0.333 -5.337 2.330 290 HA LYS 35 HA LYS 35 -1.341 -4.254 4.402 291 HB2 LYS 35 2HB LYS 35 1.641 -4.043 4.508 292 HB3 LYS 35 3HB LYS 35 0.701 -2.629 4.940 293 HG2 LYS 35 2HG LYS 35 -0.593 -4.819 6.223 294 HG3 LYS 35 3HG LYS 35 1.124 -5.085 6.461 295 HD2 LYS 35 2HD LYS 35 0.984 -3.594 8.172 296 HD3 LYS 35 3HD LYS 35 0.878 -2.348 6.945 297 HE2 LYS 35 2HE LYS 35 -1.624 -2.586 6.934 298 HE3 LYS 35 3HE LYS 35 -1.505 -3.809 8.185 299 HZ1 LYS 35 1HZ LYS 35 -0.053 -1.655 9.067 300 HZ2 LYS 35 2HZ LYS 35 -1.431 -1.026 8.456 301 HZ3 LYS 35 3HZ LYS 35 -1.500 -2.164 9.626 302 H ARG 36 H ARG 36 -2.080 -2.139 3.888 303 HA ARG 36 HA ARG 36 -0.968 -0.946 1.528 304 HB2 ARG 36 2HB ARG 36 -3.472 -2.473 1.510 305 HB3 ARG 36 3HB ARG 36 -3.780 -0.801 1.087 306 HG2 ARG 36 2HG ARG 36 -1.946 -0.925 -0.639 307 HG3 ARG 36 3HG ARG 36 -1.711 -2.616 -0.242 308 HD2 ARG 36 2HD ARG 36 -4.308 -1.396 -1.303 309 HD3 ARG 36 3HD ARG 36 -3.172 -2.339 -2.247 310 HE ARG 36 HE ARG 36 -3.856 -3.911 0.013 311 HH11 ARG 36 1HH1 ARG 36 -6.628 -5.536 -1.349 312 HH12 ARG 36 2HH1 ARG 36 -5.428 -5.565 -0.099 313 HH21 ARG 36 1HH2 ARG 36 -6.636 -3.818 -2.909 314 HH22 ARG 36 2HH2 ARG 36 -5.444 -2.564 -2.824 315 H GLY 37 H GLY 37 -1.092 1.310 1.666 316 HA2 GLY 37 1HA GLY 37 -3.167 2.718 2.945 317 HA3 GLY 37 2HA GLY 37 -1.842 2.520 4.073 318 H CYS 38 H CYS 38 -1.631 4.912 3.958 319 HA CYS 38 HA CYS 38 -0.348 5.762 1.468 320 HB2 CYS 38 2HB CYS 38 -1.705 7.414 3.607 321 HB3 CYS 38 3HB CYS 38 -0.866 8.069 2.214 322 H ILE 39 H ILE 39 1.555 7.275 1.785 323 HA ILE 39 HA ILE 39 2.784 7.153 4.403 324 HB ILE 39 HB ILE 39 3.382 5.054 3.087 325 HG12 ILE 39 2HG1 ILE 39 5.771 6.710 3.902 326 HG13 ILE 39 3HG1 ILE 39 4.604 6.147 5.081 327 HG21 ILE 39 1HG2 ILE 39 3.760 5.772 0.902 328 HG22 ILE 39 2HG2 ILE 39 4.760 7.151 1.420 329 HG23 ILE 39 3HG2 ILE 39 5.398 5.493 1.544 330 HD11 ILE 39 1HD1 ILE 39 6.743 4.667 3.800 331 HD12 ILE 39 2HD1 ILE 39 5.668 4.152 5.122 332 HD13 ILE 39 3HD1 ILE 39 5.182 3.895 3.429 333 H ASP 40 H ASP 40 4.723 8.606 4.512 334 HA ASP 40 HA ASP 40 4.094 11.025 3.314 335 HB2 ASP 40 2HB ASP 40 6.584 11.535 4.104 336 HB3 ASP 40 3HB ASP 40 5.308 11.299 5.280 337 HD2 ASP 40 HD ASP 40 7.960 10.683 6.130 338 H ALA 41 H ALA 41 7.063 8.924 2.939 339 HA ALA 41 HA ALA 41 7.328 9.988 0.211 340 HB1 ALA 41 1HB ALA 41 9.713 8.702 1.235 341 HB2 ALA 41 2HB ALA 41 9.483 10.386 0.706 342 HB3 ALA 41 3HB ALA 41 9.140 9.929 2.392 343 H CYS 42 H CYS 42 8.452 8.361 -1.314 344 HA CYS 42 HA CYS 42 6.876 6.023 -1.317 345 HB2 CYS 42 2HB CYS 42 7.630 7.224 -3.344 346 HB3 CYS 42 3HB CYS 42 9.277 6.719 -3.022 347 HA PRO 43 HA PRO 43 9.430 3.774 1.504 348 HB2 PRO 43 2HB PRO 43 7.971 1.438 0.328 349 HB3 PRO 43 3HB PRO 43 8.175 1.860 1.991 350 HG2 PRO 43 2HG PRO 43 5.806 2.363 0.820 351 HG3 PRO 43 3HG PRO 43 6.501 3.596 1.868 352 HD2 PRO 43 2HD PRO 43 6.559 3.524 -1.168 353 HD3 PRO 43 3HD PRO 43 6.159 4.851 -0.126 354 H LYS 44 H LYS 44 10.599 1.424 1.574 355 HA LYS 44 HA LYS 44 12.388 1.479 -0.751 356 HB2 LYS 44 2HB LYS 44 14.057 0.471 0.810 357 HB3 LYS 44 3HB LYS 44 13.566 2.099 1.228 358 HG2 LYS 44 2HG LYS 44 12.478 1.433 3.156 359 HG3 LYS 44 3HG LYS 44 11.911 -0.067 2.449 360 HD2 LYS 44 2HD LYS 44 13.501 -1.006 3.816 361 HD3 LYS 44 3HD LYS 44 14.583 -0.602 2.497 362 HE2 LYS 44 2HE LYS 44 14.775 1.745 3.726 363 HE3 LYS 44 3HE LYS 44 14.170 0.864 5.117 364 HZ1 LYS 44 1HZ LYS 44 16.008 -0.787 4.487 365 HZ2 LYS 44 2HZ LYS 44 16.659 0.463 3.661 366 HZ3 LYS 44 3HZ LYS 44 16.415 0.586 5.272 367 H ASN 45 H ASN 45 12.314 -0.212 -2.127 368 HA ASN 45 HA ASN 45 10.574 -2.348 -1.537 369 HB2 ASN 45 2HB ASN 45 12.610 -2.022 -3.806 370 HB3 ASN 45 3HB ASN 45 11.326 -3.214 -3.774 371 HD21 ASN 45 1HD2 ASN 45 11.057 -1.945 -5.880 372 HD22 ASN 45 2HD2 ASN 45 9.924 -0.635 -5.863 373 H SER 46 H SER 46 11.229 -4.666 -1.412 374 HA SER 46 HA SER 46 14.052 -5.031 -0.817 375 HB2 SER 46 2HB SER 46 13.145 -6.718 1.001 376 HB3 SER 46 3HB SER 46 13.275 -5.011 1.381 377 HG SER 46 HG SER 46 11.060 -4.745 1.158 378 H LEU 47 H LEU 47 14.378 -7.638 -0.526 379 HA LEU 47 HA LEU 47 13.459 -8.716 -3.023 380 HB2 LEU 47 2HB LEU 47 15.625 -9.285 -2.727 381 HB3 LEU 47 3HB LEU 47 15.500 -9.355 -0.980 382 HG LEU 47 HG LEU 47 14.316 -11.538 -1.176 383 HD11 LEU 47 1HD1 LEU 47 13.428 -12.153 -3.111 384 HD12 LEU 47 2HD1 LEU 47 14.228 -10.806 -3.956 385 HD13 LEU 47 3HD1 LEU 47 15.070 -12.363 -3.766 386 HD21 LEU 47 1HD2 LEU 47 17.059 -11.394 -2.457 387 HD22 LEU 47 2HD2 LEU 47 16.699 -11.478 -0.717 388 HD23 LEU 47 3HD2 LEU 47 16.309 -12.856 -1.773 389 H LEU 48 H LEU 48 12.993 -9.340 0.500 390 HA LEU 48 HA LEU 48 11.234 -11.533 -0.013 391 HB2 LEU 48 2HB LEU 48 12.602 -10.353 2.217 392 HB3 LEU 48 3HB LEU 48 10.908 -10.551 2.618 393 HG LEU 48 HG LEU 48 12.039 -12.928 1.331 394 HD11 LEU 48 1HD1 LEU 48 14.089 -12.204 2.425 395 HD12 LEU 48 2HD1 LEU 48 13.225 -12.030 3.972 396 HD13 LEU 48 3HD1 LEU 48 13.418 -13.639 3.235 397 HD21 LEU 48 1HD2 LEU 48 9.833 -12.716 2.531 398 HD22 LEU 48 2HD2 LEU 48 10.856 -14.082 3.040 399 HD23 LEU 48 3HD2 LEU 48 10.753 -12.622 4.053 400 H VAL 49 H VAL 49 10.941 -8.031 0.732 401 HA VAL 49 HA VAL 49 8.060 -8.315 0.218 402 HB VAL 49 HB VAL 49 9.476 -6.312 1.987 403 HG11 VAL 49 1HG1 VAL 49 6.501 -6.789 1.902 404 HG12 VAL 49 2HG1 VAL 49 7.403 -5.372 2.493 405 HG13 VAL 49 3HG1 VAL 49 7.278 -5.682 0.744 406 HG21 VAL 49 1HG2 VAL 49 8.001 -8.875 2.595 407 HG22 VAL 49 2HG2 VAL 49 9.587 -8.322 3.185 408 HG23 VAL 49 3HG2 VAL 49 8.098 -7.557 3.787 409 H LYS 50 H LYS 50 7.079 -6.723 -1.128 410 HA LYS 50 HA LYS 50 9.024 -5.043 -2.552 411 HB2 LYS 50 2HB LYS 50 8.007 -7.195 -3.709 412 HB3 LYS 50 3HB LYS 50 6.617 -6.157 -3.950 413 HG2 LYS 50 2HG LYS 50 9.184 -4.824 -4.594 414 HG3 LYS 50 3HG LYS 50 8.885 -6.243 -5.578 415 HD2 LYS 50 2HD LYS 50 6.474 -5.238 -5.903 416 HD3 LYS 50 3HD LYS 50 7.177 -3.744 -5.315 417 HE2 LYS 50 2HE LYS 50 8.748 -5.146 -7.442 418 HE3 LYS 50 3HE LYS 50 7.195 -4.512 -7.953 419 HZ1 LYS 50 1HZ LYS 50 8.042 -2.439 -6.661 420 HZ2 LYS 50 2HZ LYS 50 9.513 -3.075 -6.972 421 HZ3 LYS 50 3HZ LYS 50 8.506 -2.705 -8.203 422 H TYR 51 H TYR 51 8.628 -2.921 -2.271 423 HA TYR 51 HA TYR 51 5.917 -2.173 -1.444 424 HB2 TYR 51 2HB TYR 51 8.715 -0.890 -1.331 425 HB3 TYR 51 3HB TYR 51 7.276 -0.044 -0.799 426 HD1 TYR 51 1HD TYR 51 6.648 -0.169 1.444 427 HD2 TYR 51 2HD TYR 51 9.139 -3.241 -0.188 428 HE1 TYR 51 1HE TYR 51 6.907 -1.197 3.755 429 HE2 TYR 51 2HE TYR 51 9.389 -4.259 2.129 430 HH TYR 51 HH TYR 51 8.905 -2.749 4.819 431 H VAL 52 H VAL 52 4.618 -0.986 -2.766 432 HA VAL 52 HA VAL 52 5.925 0.355 -5.029 433 HB VAL 52 HB VAL 52 3.557 -1.492 -4.968 434 HG11 VAL 52 1HG1 VAL 52 4.085 0.736 -6.951 435 HG12 VAL 52 2HG1 VAL 52 3.091 -0.689 -7.337 436 HG13 VAL 52 3HG1 VAL 52 2.601 0.409 -6.025 437 HG21 VAL 52 1HG2 VAL 52 5.135 -2.822 -5.844 438 HG22 VAL 52 2HG2 VAL 52 4.976 -1.844 -7.323 439 HG23 VAL 52 3HG2 VAL 52 6.244 -1.460 -6.133 440 H CYS 53 H CYS 53 5.487 2.501 -5.121 441 HA CYS 53 HA CYS 53 3.253 3.421 -3.472 442 HB2 CYS 53 2HB CYS 53 4.382 5.472 -3.169 443 HB3 CYS 53 3HB CYS 53 5.527 4.188 -2.828 444 H CYS 54 H CYS 54 1.963 5.252 -4.390 445 HA CYS 54 HA CYS 54 2.271 5.651 -7.240 446 HB2 CYS 54 2HB CYS 54 -0.331 5.291 -7.359 447 HB3 CYS 54 3HB CYS 54 0.800 3.975 -7.613 448 H ASN 55 H ASN 55 0.957 7.563 -7.954 449 HA ASN 55 HA ASN 55 0.426 9.277 -5.658 450 HB2 ASN 55 2HB ASN 55 0.865 11.183 -7.235 451 HB3 ASN 55 3HB ASN 55 2.249 10.113 -7.111 452 HD21 ASN 55 1HD2 ASN 55 0.498 11.847 -9.195 453 HD22 ASN 55 2HD2 ASN 55 0.698 10.959 -10.669 454 H THR 56 H THR 56 -1.461 7.302 -6.835 455 HA THR 56 HA THR 56 -3.447 9.157 -7.980 456 HB THR 56 HB THR 56 -4.282 6.758 -8.892 457 HG1 THR 56 1HG THR 56 -2.410 5.401 -9.116 458 HG21 THR 56 1HG2 THR 56 -3.668 7.728 -10.865 459 HG22 THR 56 2HG2 THR 56 -2.620 8.866 -9.983 460 HG23 THR 56 3HG2 THR 56 -1.973 7.299 -10.526 461 H ASP 57 H ASP 57 -5.769 8.296 -7.615 462 HA ASP 57 HA ASP 57 -5.947 7.928 -4.781 463 HB2 ASP 57 2HB ASP 57 -7.662 8.909 -6.972 464 HB3 ASP 57 3HB ASP 57 -8.546 7.875 -5.865 465 HD2 ASP 57 HD ASP 57 -9.586 10.023 -5.613 466 H ARG 58 H ARG 58 -7.132 6.118 -3.794 467 HA ARG 58 HA ARG 58 -7.433 3.973 -3.558 468 HB2 ARG 58 2HB ARG 58 -9.267 4.887 -5.724 469 HB3 ARG 58 3HB ARG 58 -9.070 3.147 -5.653 470 HG2 ARG 58 2HG ARG 58 -10.347 2.998 -3.782 471 HG3 ARG 58 3HG ARG 58 -9.381 4.202 -2.952 472 HD2 ARG 58 2HD ARG 58 -11.405 5.347 -3.039 473 HD3 ARG 58 3HD ARG 58 -10.711 5.899 -4.550 474 HE ARG 58 HE ARG 58 -12.018 3.573 -5.284 475 HH11 ARG 58 1HH1 ARG 58 -15.331 4.652 -5.484 476 HH12 ARG 58 2HH1 ARG 58 -14.189 3.450 -5.986 477 HH21 ARG 58 1HH2 ARG 58 -14.655 6.387 -4.099 478 HH22 ARG 58 2HH2 ARG 58 -13.010 6.480 -3.566 479 H CYS 59 H CYS 59 -5.087 4.755 -5.294 480 HA CYS 59 HA CYS 59 -4.895 3.010 -7.464 481 HB2 CYS 59 2HB CYS 59 -2.537 3.510 -7.447 482 HB3 CYS 59 3HB CYS 59 -3.480 4.969 -7.217 483 H ASN 60 H ASN 60 -3.780 2.826 -4.013 484 HA ASN 60 HA ASN 60 -3.093 0.055 -4.460 485 HB2 ASN 60 2HB ASN 60 -1.958 0.179 -2.305 486 HB3 ASN 60 3HB ASN 60 -1.545 1.635 -3.189 487 HD21 ASN 60 1HD2 ASN 60 -3.486 0.254 -0.628 488 HD22 ASN 60 2HD2 ASN 60 -3.865 1.720 0.213 Start of MODEL 16 1 H1 LEU 1 H LEU 1 -4.272 12.676 0.153 2 HA LEU 1 HA LEU 1 -5.754 11.804 -2.174 3 HB2 LEU 1 2HB LEU 1 -3.154 12.050 -1.798 4 HB3 LEU 1 3HB LEU 1 -3.311 10.436 -1.132 5 HG LEU 1 HG LEU 1 -4.491 10.999 -3.830 6 HD11 LEU 1 1HD1 LEU 1 -2.064 10.105 -4.571 7 HD12 LEU 1 2HD1 LEU 1 -2.499 11.828 -4.499 8 HD13 LEU 1 3HD1 LEU 1 -1.603 11.080 -3.155 9 HD21 LEU 1 1HD2 LEU 1 -3.303 8.591 -2.442 10 HD22 LEU 1 2HD2 LEU 1 -4.978 8.847 -2.989 11 HD23 LEU 1 3HD2 LEU 1 -3.677 8.622 -4.182 12 H LYS 2 H LYS 2 -7.170 10.128 -2.219 13 HA LYS 2 HA LYS 2 -7.517 8.681 0.289 14 HB2 LYS 2 2HB LYS 2 -9.290 9.134 -2.120 15 HB3 LYS 2 3HB LYS 2 -9.674 7.954 -0.883 16 HG2 LYS 2 2HG LYS 2 -9.009 10.241 0.602 17 HG3 LYS 2 3HG LYS 2 -9.857 10.899 -0.782 18 HD2 LYS 2 2HD LYS 2 -11.522 8.816 -0.204 19 HD3 LYS 2 3HD LYS 2 -10.876 9.109 1.399 20 HE2 LYS 2 2HE LYS 2 -12.109 11.005 1.644 21 HE3 LYS 2 3HE LYS 2 -11.550 11.647 0.112 22 HZ1 LYS 2 1HZ LYS 2 -13.355 9.510 -0.264 23 HZ2 LYS 2 2HZ LYS 2 -14.029 10.688 0.644 24 HZ3 LYS 2 3HZ LYS 2 -13.431 11.038 -0.835 25 H CYS 3 H CYS 3 -7.133 6.505 0.508 26 HA CYS 3 HA CYS 3 -6.400 5.092 -1.947 27 HB2 CYS 3 2HB CYS 3 -4.827 5.399 0.573 28 HB3 CYS 3 3HB CYS 3 -4.752 3.865 -0.274 29 H ASN 4 H ASN 4 -6.874 2.771 -1.852 30 HA ASN 4 HA ASN 4 -9.187 2.243 -0.369 31 HB2 ASN 4 2HB ASN 4 -8.181 1.216 -2.652 32 HB3 ASN 4 3HB ASN 4 -7.514 0.017 -1.561 33 HD21 ASN 4 1HD2 ASN 4 -10.568 1.842 -1.821 34 HD22 ASN 4 2HD2 ASN 4 -11.642 0.488 -1.704 35 H LYS 5 H LYS 5 -9.338 0.141 1.058 36 HA LYS 5 HA LYS 5 -7.080 0.188 2.903 37 HB2 LYS 5 2HB LYS 5 -9.922 -0.824 3.213 38 HB3 LYS 5 3HB LYS 5 -8.688 -0.926 4.453 39 HG2 LYS 5 2HG LYS 5 -8.909 1.790 3.312 40 HG3 LYS 5 3HG LYS 5 -10.415 1.240 4.019 41 HD2 LYS 5 2HD LYS 5 -7.727 1.110 5.461 42 HD3 LYS 5 3HD LYS 5 -8.856 2.437 5.637 43 HE2 LYS 5 2HE LYS 5 -9.962 -0.327 6.046 44 HE3 LYS 5 3HE LYS 5 -8.867 0.269 7.277 45 HZ1 LYS 5 1HZ LYS 5 -11.376 1.492 6.388 46 HZ2 LYS 5 2HZ LYS 5 -10.992 0.958 7.883 47 HZ3 LYS 5 3HZ LYS 5 -10.287 2.307 7.291 48 H LEU 6 H LEU 6 -7.389 -2.330 4.109 49 HA LEU 6 HA LEU 6 -5.911 -3.913 2.332 50 HB2 LEU 6 2HB LEU 6 -6.142 -3.826 4.963 51 HB3 LEU 6 3HB LEU 6 -7.333 -5.082 4.681 52 HG LEU 6 HG LEU 6 -4.400 -5.152 3.930 53 HD11 LEU 6 1HD1 LEU 6 -5.686 -5.762 6.330 54 HD12 LEU 6 2HD1 LEU 6 -5.403 -7.337 5.552 55 HD13 LEU 6 3HD1 LEU 6 -4.040 -6.230 5.840 56 HD21 LEU 6 1HD2 LEU 6 -6.667 -6.669 2.862 57 HD22 LEU 6 2HD2 LEU 6 -5.005 -6.495 2.251 58 HD23 LEU 6 3HD2 LEU 6 -5.367 -7.695 3.515 59 H ILE 7 H ILE 7 -9.378 -3.920 3.331 60 HA ILE 7 HA ILE 7 -9.857 -6.050 1.395 61 HB ILE 7 HB ILE 7 -11.563 -4.848 3.575 62 HG12 ILE 7 2HG1 ILE 7 -10.004 -7.418 3.309 63 HG13 ILE 7 3HG1 ILE 7 -9.900 -6.201 4.565 64 HG21 ILE 7 1HG2 ILE 7 -12.391 -7.330 2.157 65 HG22 ILE 7 2HG2 ILE 7 -13.371 -6.051 2.914 66 HG23 ILE 7 3HG2 ILE 7 -12.635 -5.780 1.315 67 HD11 ILE 7 1HD1 ILE 7 -11.149 -8.171 5.375 68 HD12 ILE 7 2HD1 ILE 7 -12.221 -6.753 5.302 69 HD13 ILE 7 3HD1 ILE 7 -12.310 -8.001 4.037 70 HA PRO 8 HA PRO 8 -10.869 -3.048 -1.614 71 HB2 PRO 8 2HB PRO 8 -12.215 -4.754 -3.339 72 HB3 PRO 8 3HB PRO 8 -10.498 -4.572 -3.277 73 HG2 PRO 8 2HG PRO 8 -12.235 -6.700 -1.952 74 HG3 PRO 8 3HG PRO 8 -10.684 -6.882 -2.765 75 HD2 PRO 8 2HD PRO 8 -10.777 -6.832 -0.056 76 HD3 PRO 8 3HD PRO 8 -9.434 -6.153 -0.924 77 H LEU 9 H LEU 9 -12.355 -1.946 0.069 78 HA LEU 9 HA LEU 9 -14.736 -1.303 -1.219 79 HB2 LEU 9 2HB LEU 9 -16.404 -2.426 -0.178 80 HB3 LEU 9 3HB LEU 9 -15.182 -3.680 -0.249 81 HG LEU 9 HG LEU 9 -14.558 -2.766 2.160 82 HD11 LEU 9 1HD1 LEU 9 -17.509 -2.238 2.279 83 HD12 LEU 9 2HD1 LEU 9 -16.210 -1.723 3.382 84 HD13 LEU 9 3HD1 LEU 9 -16.392 -0.940 1.794 85 HD21 LEU 9 1HD2 LEU 9 -15.883 -4.972 1.163 86 HD22 LEU 9 2HD2 LEU 9 -15.329 -4.746 2.840 87 HD23 LEU 9 3HD2 LEU 9 -17.005 -4.348 2.395 88 H ALA 10 H ALA 10 -12.747 -1.506 1.732 89 HA ALA 10 HA ALA 10 -13.924 0.984 2.693 90 HB1 ALA 10 1HB ALA 10 -13.406 -1.175 4.094 91 HB2 ALA 10 2HB ALA 10 -11.730 -0.574 4.061 92 HB3 ALA 10 3HB ALA 10 -13.019 0.424 4.775 93 H TYR 11 H TYR 11 -12.615 2.866 3.106 94 HA TYR 11 HA TYR 11 -9.939 2.818 1.946 95 HB2 TYR 11 2HB TYR 11 -10.605 4.890 0.639 96 HB3 TYR 11 3HB TYR 11 -11.546 3.497 0.144 97 HD1 TYR 11 1HD TYR 11 -13.923 3.263 0.880 98 HD2 TYR 11 2HD TYR 11 -11.643 6.792 1.690 99 HE1 TYR 11 1HE TYR 11 -16.065 4.546 1.360 100 HE2 TYR 11 2HE TYR 11 -13.792 8.063 2.166 101 HH TYR 11 HH TYR 11 -16.879 6.397 2.300 102 H LYS 12 H LYS 12 -8.774 4.956 2.399 103 HA LYS 12 HA LYS 12 -9.882 6.486 4.576 104 HB2 LYS 12 2HB LYS 12 -9.018 4.680 5.877 105 HB3 LYS 12 3HB LYS 12 -7.519 4.637 4.970 106 HG2 LYS 12 2HG LYS 12 -7.270 7.156 5.762 107 HG3 LYS 12 3HG LYS 12 -8.451 6.708 6.978 108 HD2 LYS 12 2HD LYS 12 -6.237 6.361 7.923 109 HD3 LYS 12 3HD LYS 12 -6.966 4.787 7.670 110 HE2 LYS 12 2HE LYS 12 -5.131 4.214 6.462 111 HE3 LYS 12 3HE LYS 12 -5.665 5.333 5.225 112 HZ1 LYS 12 1HZ LYS 12 -3.714 5.757 7.336 113 HZ2 LYS 12 2HZ LYS 12 -3.618 6.133 5.750 114 HZ3 LYS 12 3HZ LYS 12 -4.527 7.048 6.753 115 H THR 13 H THR 13 -9.056 8.569 4.608 116 HA THR 13 HA THR 13 -7.532 9.324 2.310 117 HB THR 13 HB THR 13 -8.683 10.780 4.741 118 HG1 THR 13 1HG THR 13 -10.103 11.470 2.927 119 HG21 THR 13 1HG2 THR 13 -8.366 12.816 3.145 120 HG22 THR 13 2HG2 THR 13 -6.921 12.256 4.020 121 HG23 THR 13 3HG2 THR 13 -7.152 11.816 2.312 122 H CYS 14 H CYS 14 -5.468 10.299 2.213 123 HA CYS 14 HA CYS 14 -3.648 9.099 4.040 124 HB2 CYS 14 2HB CYS 14 -3.181 11.076 1.800 125 HB3 CYS 14 3HB CYS 14 -1.923 10.240 2.688 126 HA PRO 15 HA PRO 15 -4.201 12.314 7.061 127 HB2 PRO 15 2HB PRO 15 -1.595 11.135 7.991 128 HB3 PRO 15 3HB PRO 15 -2.981 11.555 8.933 129 HG2 PRO 15 2HG PRO 15 -2.593 8.970 8.301 130 HG3 PRO 15 3HG PRO 15 -4.221 9.630 8.166 131 HD2 PRO 15 2HD PRO 15 -2.263 9.086 5.933 132 HD3 PRO 15 3HD PRO 15 -3.977 8.816 5.966 133 H ALA 16 H ALA 16 -2.624 13.919 8.399 134 HA ALA 16 HA ALA 16 -1.831 15.832 6.516 135 HB1 ALA 16 1HB ALA 16 -0.773 16.858 8.664 136 HB2 ALA 16 2HB ALA 16 -2.538 16.628 8.615 137 HB3 ALA 16 3HB ALA 16 -1.516 15.475 9.504 138 H GLY 17 H GLY 17 -0.038 15.897 5.266 139 HA2 GLY 17 1HA GLY 17 2.294 15.975 5.047 140 HA3 GLY 17 2HA GLY 17 2.471 14.853 6.381 141 H LYS 18 H LYS 18 0.225 13.085 5.337 142 HA LYS 18 HA LYS 18 1.890 11.481 3.662 143 HB2 LYS 18 2HB LYS 18 -1.007 11.032 4.422 144 HB3 LYS 18 3HB LYS 18 0.142 9.838 3.855 145 HG2 LYS 18 2HG LYS 18 0.858 11.439 6.310 146 HG3 LYS 18 3HG LYS 18 -0.347 10.180 6.474 147 HD2 LYS 18 2HD LYS 18 1.263 8.535 5.449 148 HD3 LYS 18 3HD LYS 18 2.472 9.799 5.359 149 HE2 LYS 18 2HE LYS 18 1.855 10.046 7.985 150 HE3 LYS 18 3HE LYS 18 1.397 8.367 7.779 151 HZ1 LYS 18 1HZ LYS 18 3.714 8.356 6.559 152 HZ2 LYS 18 2HZ LYS 18 4.008 9.569 7.612 153 HZ3 LYS 18 3HZ LYS 18 3.572 8.096 8.165 154 H ASN 19 H ASN 19 2.246 12.157 1.599 155 HA ASN 19 HA ASN 19 -0.141 12.972 0.135 156 HB2 ASN 19 2HB ASN 19 1.276 14.411 -1.239 157 HB3 ASN 19 3HB ASN 19 1.643 14.765 0.438 158 HD21 ASN 19 1HD2 ASN 19 3.491 13.729 1.421 159 HD22 ASN 19 2HD2 ASN 19 4.888 13.349 0.471 160 H LEU 20 H LEU 20 1.653 10.346 0.711 161 HA LEU 20 HA LEU 20 1.523 9.445 -2.060 162 HB2 LEU 20 2HB LEU 20 3.955 9.598 -0.352 163 HB3 LEU 20 3HB LEU 20 3.752 8.175 -1.354 164 HG LEU 20 HG LEU 20 3.534 10.942 -2.531 165 HD11 LEU 20 1HD1 LEU 20 5.646 11.291 -1.824 166 HD12 LEU 20 2HD1 LEU 20 5.967 9.561 -1.563 167 HD13 LEU 20 3HD1 LEU 20 6.054 10.245 -3.204 168 HD21 LEU 20 1HD2 LEU 20 4.731 8.780 -4.104 169 HD22 LEU 20 2HD2 LEU 20 3.062 8.444 -3.586 170 HD23 LEU 20 3HD2 LEU 20 3.426 9.919 -4.513 171 H CYS 21 H CYS 21 1.512 7.023 -2.199 172 HA CYS 21 HA CYS 21 0.515 5.878 0.307 173 HB2 CYS 21 2HB CYS 21 -0.710 5.893 -2.407 174 HB3 CYS 21 3HB CYS 21 -0.849 4.420 -1.468 175 H TYR 22 H TYR 22 1.033 3.588 0.581 176 HA TYR 22 HA TYR 22 2.911 2.516 -1.396 177 HB2 TYR 22 2HB TYR 22 4.548 2.230 0.315 178 HB3 TYR 22 3HB TYR 22 3.810 3.730 0.841 179 HD1 TYR 22 1HD TYR 22 2.907 3.906 2.999 180 HD2 TYR 22 2HD TYR 22 3.589 0.027 1.327 181 HE1 TYR 22 1HE TYR 22 2.340 2.834 5.234 182 HE2 TYR 22 2HE TYR 22 3.018 -1.031 3.567 183 HH TYR 22 HH TYR 22 3.051 -0.382 5.922 184 H LYS 23 H LYS 23 3.266 0.127 -1.105 185 HA LYS 23 HA LYS 23 1.222 -1.200 0.464 186 HB2 LYS 23 2HB LYS 23 0.203 -2.351 -1.339 187 HB3 LYS 23 3HB LYS 23 0.188 -0.651 -1.765 188 HG2 LYS 23 2HG LYS 23 2.361 -1.062 -3.068 189 HG3 LYS 23 3HG LYS 23 2.126 -2.776 -2.787 190 HD2 LYS 23 2HD LYS 23 1.202 -2.196 -4.980 191 HD3 LYS 23 3HD LYS 23 -0.112 -2.645 -3.911 192 HE2 LYS 23 2HE LYS 23 -0.772 -0.350 -3.580 193 HE3 LYS 23 3HE LYS 23 0.730 0.263 -4.241 194 HZ1 LYS 23 1HZ LYS 23 0.102 -0.485 -6.377 195 HZ2 LYS 23 2HZ LYS 23 -1.198 -1.297 -5.814 196 HZ3 LYS 23 3HZ LYS 23 -1.176 0.336 -5.774 197 H MET 24 H MET 24 2.046 -3.014 1.391 198 HA MET 24 HA MET 24 4.662 -3.818 0.409 199 HB2 MET 24 2HB MET 24 3.265 -3.727 3.063 200 HB3 MET 24 3HB MET 24 4.277 -5.138 2.821 201 HG2 MET 24 2HG MET 24 6.054 -3.324 1.962 202 HG3 MET 24 3HG MET 24 5.079 -2.225 2.917 203 HE1 MET 24 1HE MET 24 3.892 -4.109 5.014 204 HE2 MET 24 2HE MET 24 5.043 -4.211 6.368 205 HE3 MET 24 3HE MET 24 4.643 -2.629 5.658 206 H PHE 25 H PHE 25 4.953 -5.784 -0.575 207 HA PHE 25 HA PHE 25 2.753 -7.709 -0.292 208 HB2 PHE 25 2HB PHE 25 4.516 -6.781 -2.615 209 HB3 PHE 25 3HB PHE 25 3.760 -8.361 -2.682 210 HD1 PHE 25 1HD PHE 25 2.604 -4.955 -1.650 211 HD2 PHE 25 2HD PHE 25 1.928 -8.379 -4.064 212 HE1 PHE 25 1HE PHE 25 0.501 -3.912 -2.540 213 HE2 PHE 25 2HE PHE 25 -0.174 -7.336 -4.954 214 HZ PHE 25 HZ PHE 25 -0.863 -5.114 -4.182 215 H MET 26 H MET 26 3.312 -9.942 -0.161 216 HA MET 26 HA MET 26 6.108 -10.319 0.556 217 HB2 MET 26 2HB MET 26 3.550 -11.864 1.252 218 HB3 MET 26 3HB MET 26 5.149 -12.412 1.718 219 HG2 MET 26 2HG MET 26 5.373 -9.953 2.735 220 HG3 MET 26 3HG MET 26 3.622 -9.987 2.693 221 HE1 MET 26 1HE MET 26 6.599 -12.149 3.243 222 HE2 MET 26 2HE MET 26 6.778 -11.434 4.864 223 HE3 MET 26 3HE MET 26 6.262 -13.129 4.691 224 H VAL 27 H VAL 27 7.372 -11.915 -0.440 225 HA VAL 27 HA VAL 27 6.938 -12.588 -3.013 226 HB VAL 27 HB VAL 27 8.927 -12.930 -1.308 227 HG11 VAL 27 1HG1 VAL 27 9.318 -15.136 -0.584 228 HG12 VAL 27 2HG1 VAL 27 7.606 -14.836 -0.196 229 HG13 VAL 27 3HG1 VAL 27 8.039 -15.802 -1.628 230 HG21 VAL 27 1HG2 VAL 27 8.404 -14.494 -3.848 231 HG22 VAL 27 2HG2 VAL 27 9.310 -12.974 -3.650 232 HG23 VAL 27 3HG2 VAL 27 9.977 -14.497 -3.016 233 H SER 28 H SER 28 5.613 -14.153 -0.094 234 HA SER 28 HA SER 28 4.868 -16.546 -0.957 235 HB2 SER 28 2HB SER 28 4.335 -15.697 1.279 236 HB3 SER 28 3HB SER 28 3.188 -14.549 0.618 237 HG SER 28 HG SER 28 2.897 -17.389 0.194 238 H ASN 29 H ASN 29 3.334 -13.398 -1.804 239 HA ASN 29 HA ASN 29 2.371 -14.490 -4.208 240 HB2 ASN 29 2HB ASN 29 0.639 -15.194 -2.339 241 HB3 ASN 29 3HB ASN 29 0.176 -13.504 -2.337 242 HD21 ASN 29 1HD2 ASN 29 -1.179 -12.764 -3.815 243 HD22 ASN 29 2HD2 ASN 29 -1.755 -13.622 -5.204 244 H LYS 30 H LYS 30 3.449 -12.647 -5.129 245 HA LYS 30 HA LYS 30 3.054 -10.038 -4.066 246 HB2 LYS 30 2HB LYS 30 4.777 -11.335 -5.955 247 HB3 LYS 30 3HB LYS 30 4.051 -9.945 -6.736 248 HG2 LYS 30 2HG LYS 30 4.642 -8.762 -4.390 249 HG3 LYS 30 3HG LYS 30 5.837 -10.044 -4.309 250 HD2 LYS 30 2HD LYS 30 6.880 -8.129 -5.379 251 HD3 LYS 30 3HD LYS 30 6.663 -9.367 -6.600 252 HE2 LYS 30 2HE LYS 30 4.249 -7.911 -6.690 253 HE3 LYS 30 3HE LYS 30 5.469 -6.679 -6.440 254 HZ1 LYS 30 1HZ LYS 30 5.468 -8.701 -8.570 255 HZ2 LYS 30 2HZ LYS 30 5.217 -7.096 -8.749 256 HZ3 LYS 30 3HZ LYS 30 6.689 -7.649 -8.307 257 H THR 31 H THR 31 0.988 -12.114 -5.682 258 HA THR 31 HA THR 31 -0.195 -10.149 -7.437 259 HB THR 31 HB THR 31 -0.651 -13.062 -6.700 260 HG1 THR 31 1HG THR 31 -0.028 -13.177 -8.910 261 HG21 THR 31 1HG2 THR 31 -2.371 -12.637 -8.790 262 HG22 THR 31 2HG2 THR 31 -2.909 -12.690 -7.095 263 HG23 THR 31 3HG2 THR 31 -2.611 -11.123 -7.885 264 H VAL 32 H VAL 32 -0.316 -10.893 -4.087 265 HA VAL 32 HA VAL 32 -2.675 -9.191 -3.874 266 HB VAL 32 HB VAL 32 -2.337 -11.882 -2.535 267 HG11 VAL 32 1HG1 VAL 32 -4.050 -11.418 -1.097 268 HG12 VAL 32 2HG1 VAL 32 -3.402 -9.770 -1.278 269 HG13 VAL 32 3HG1 VAL 32 -4.830 -10.273 -2.214 270 HG21 VAL 32 1HG2 VAL 32 -4.152 -10.847 -4.712 271 HG22 VAL 32 2HG2 VAL 32 -3.159 -12.324 -4.680 272 HG23 VAL 32 3HG2 VAL 32 -4.633 -12.221 -3.687 273 HA PRO 33 HA PRO 33 0.058 -7.307 -1.053 274 HB2 PRO 33 2HB PRO 33 -1.666 -5.520 0.099 275 HB3 PRO 33 3HB PRO 33 -1.012 -5.322 -1.488 276 HG2 PRO 33 2HG PRO 33 -3.748 -6.389 -0.675 277 HG3 PRO 33 3HG PRO 33 -3.323 -5.324 -2.010 278 HD2 PRO 33 2HD PRO 33 -3.756 -8.009 -2.398 279 HD3 PRO 33 3HD PRO 33 -2.723 -7.062 -3.424 280 H VAL 34 H VAL 34 0.661 -6.848 1.180 281 HA VAL 34 HA VAL 34 -0.694 -8.696 3.021 282 HB VAL 34 HB VAL 34 1.806 -8.948 2.153 283 HG11 VAL 34 1HG1 VAL 34 2.240 -7.318 4.665 284 HG12 VAL 34 2HG1 VAL 34 3.450 -7.914 3.503 285 HG13 VAL 34 3HG1 VAL 34 2.334 -6.609 3.035 286 HG21 VAL 34 1HG2 VAL 34 1.048 -9.377 5.062 287 HG22 VAL 34 2HG2 VAL 34 0.568 -10.440 3.717 288 HG23 VAL 34 3HG2 VAL 34 2.288 -10.255 4.135 289 H LYS 35 H LYS 35 0.563 -5.428 2.405 290 HA LYS 35 HA LYS 35 -1.029 -4.452 4.586 291 HB2 LYS 35 2HB LYS 35 1.959 -4.565 4.756 292 HB3 LYS 35 3HB LYS 35 1.146 -3.143 5.376 293 HG2 LYS 35 2HG LYS 35 -0.395 -5.321 6.333 294 HG3 LYS 35 3HG LYS 35 1.269 -5.844 6.508 295 HD2 LYS 35 2HD LYS 35 1.813 -3.747 7.742 296 HD3 LYS 35 3HD LYS 35 0.167 -3.186 7.537 297 HE2 LYS 35 2HE LYS 35 0.113 -5.864 8.663 298 HE3 LYS 35 3HE LYS 35 1.200 -4.872 9.613 299 HZ1 LYS 35 1HZ LYS 35 -0.756 -3.190 9.381 300 HZ2 LYS 35 2HZ LYS 35 -1.642 -4.545 9.171 301 HZ3 LYS 35 3HZ LYS 35 -0.773 -4.342 10.539 302 H ARG 36 H ARG 36 -1.566 -2.244 4.316 303 HA ARG 36 HA ARG 36 -0.253 -0.876 2.159 304 HB2 ARG 36 2HB ARG 36 -2.959 -0.323 1.628 305 HB3 ARG 36 3HB ARG 36 -1.910 -1.341 0.661 306 HG2 ARG 36 2HG ARG 36 -3.909 -2.621 1.223 307 HG3 ARG 36 3HG ARG 36 -2.550 -3.318 2.084 308 HD2 ARG 36 2HD ARG 36 -3.789 -1.191 3.676 309 HD3 ARG 36 3HD ARG 36 -4.985 -2.382 3.209 310 HE ARG 36 HE ARG 36 -2.821 -3.914 4.058 311 HH11 ARG 36 1HH1 ARG 36 -3.288 -3.843 7.516 312 HH12 ARG 36 2HH1 ARG 36 -2.545 -4.679 6.193 313 HH21 ARG 36 1HH2 ARG 36 -4.563 -1.945 7.119 314 HH22 ARG 36 2HH2 ARG 36 -4.771 -1.365 5.500 315 H GLY 37 H GLY 37 -0.475 1.445 2.328 316 HA2 GLY 37 1HA GLY 37 -2.328 2.684 4.086 317 HA3 GLY 37 2HA GLY 37 -0.774 2.498 4.873 318 H CYS 38 H CYS 38 -1.227 5.029 4.697 319 HA CYS 38 HA CYS 38 -0.216 5.964 2.121 320 HB2 CYS 38 2HB CYS 38 -1.763 7.342 4.310 321 HB3 CYS 38 3HB CYS 38 -0.956 8.229 3.033 322 H ILE 39 H ILE 39 1.695 7.274 2.073 323 HA ILE 39 HA ILE 39 2.995 7.839 4.599 324 HB ILE 39 HB ILE 39 3.624 5.500 3.900 325 HG12 ILE 39 2HG1 ILE 39 5.788 7.603 4.192 326 HG13 ILE 39 3HG1 ILE 39 4.946 6.781 5.490 327 HG21 ILE 39 1HG2 ILE 39 4.948 5.068 2.045 328 HG22 ILE 39 2HG2 ILE 39 3.753 6.227 1.417 329 HG23 ILE 39 3HG2 ILE 39 5.394 6.778 1.832 330 HD11 ILE 39 1HD1 ILE 39 5.861 4.641 3.979 331 HD12 ILE 39 2HD1 ILE 39 7.174 5.828 3.793 332 HD13 ILE 39 3HD1 ILE 39 6.677 5.298 5.418 333 H ASP 40 H ASP 40 4.864 9.330 4.298 334 HA ASP 40 HA ASP 40 4.196 11.160 2.212 335 HB2 ASP 40 2HB ASP 40 6.208 12.432 3.319 336 HB3 ASP 40 3HB ASP 40 4.710 12.274 4.212 337 HD2 ASP 40 HD ASP 40 8.147 11.148 4.555 338 H ALA 41 H ALA 41 7.089 9.272 3.365 339 HA ALA 41 HA ALA 41 8.415 9.819 0.820 340 HB1 ALA 41 1HB ALA 41 9.268 8.980 3.581 341 HB2 ALA 41 2HB ALA 41 10.295 8.553 2.192 342 HB3 ALA 41 3HB ALA 41 9.922 10.261 2.530 343 H CYS 42 H CYS 42 8.716 8.254 -0.727 344 HA CYS 42 HA CYS 42 7.165 5.920 -0.531 345 HB2 CYS 42 2HB CYS 42 7.540 7.003 -2.650 346 HB3 CYS 42 3HB CYS 42 9.273 6.773 -2.522 347 HA PRO 43 HA PRO 43 10.051 3.765 2.083 348 HB2 PRO 43 2HB PRO 43 8.357 1.467 1.141 349 HB3 PRO 43 3HB PRO 43 8.879 1.833 2.747 350 HG2 PRO 43 2HG PRO 43 6.359 2.456 2.029 351 HG3 PRO 43 3HG PRO 43 7.278 3.622 2.977 352 HD2 PRO 43 2HD PRO 43 6.715 3.692 0.010 353 HD3 PRO 43 3HD PRO 43 6.719 5.004 1.149 354 H LYS 44 H LYS 44 11.229 1.446 2.066 355 HA LYS 44 HA LYS 44 12.733 1.462 -0.443 356 HB2 LYS 44 2HB LYS 44 14.490 0.326 0.891 357 HB3 LYS 44 3HB LYS 44 14.085 1.922 1.486 358 HG2 LYS 44 2HG LYS 44 12.698 0.978 3.273 359 HG3 LYS 44 3HG LYS 44 12.858 -0.636 2.612 360 HD2 LYS 44 2HD LYS 44 15.321 0.948 3.420 361 HD3 LYS 44 3HD LYS 44 14.399 0.066 4.620 362 HE2 LYS 44 2HE LYS 44 14.657 -2.026 3.203 363 HE3 LYS 44 3HE LYS 44 15.691 -1.119 2.117 364 HZ1 LYS 44 1HZ LYS 44 17.361 -1.353 3.513 365 HZ2 LYS 44 2HZ LYS 44 16.511 -0.793 4.789 366 HZ3 LYS 44 3HZ LYS 44 16.452 -2.378 4.403 367 H ASN 45 H ASN 45 12.487 -0.160 -1.883 368 HA ASN 45 HA ASN 45 10.661 -2.214 -1.288 369 HB2 ASN 45 2HB ASN 45 11.142 -2.985 -3.587 370 HB3 ASN 45 3HB ASN 45 10.984 -1.241 -3.583 371 HD21 ASN 45 1HD2 ASN 45 12.249 -2.474 -5.626 372 HD22 ASN 45 2HD2 ASN 45 13.951 -2.154 -5.609 373 H SER 46 H SER 46 11.171 -4.575 -1.295 374 HA SER 46 HA SER 46 13.978 -5.097 -0.711 375 HB2 SER 46 2HB SER 46 11.811 -6.707 0.632 376 HB3 SER 46 3HB SER 46 13.452 -6.403 1.166 377 HG SER 46 HG SER 46 12.880 -4.259 1.739 378 H LEU 47 H LEU 47 14.253 -7.719 -0.725 379 HA LEU 47 HA LEU 47 13.445 -8.478 -3.371 380 HB2 LEU 47 2HB LEU 47 15.701 -8.848 -2.142 381 HB3 LEU 47 3HB LEU 47 14.900 -10.226 -1.413 382 HG LEU 47 HG LEU 47 16.233 -10.878 -3.350 383 HD11 LEU 47 1HD1 LEU 47 14.532 -12.170 -4.557 384 HD12 LEU 47 2HD1 LEU 47 14.263 -12.203 -2.797 385 HD13 LEU 47 3HD1 LEU 47 13.255 -11.165 -3.833 386 HD21 LEU 47 1HD2 LEU 47 15.879 -8.635 -4.530 387 HD22 LEU 47 2HD2 LEU 47 15.913 -10.102 -5.538 388 HD23 LEU 47 3HD2 LEU 47 14.358 -9.334 -5.138 389 H LEU 48 H LEU 48 12.890 -9.676 0.006 390 HA LEU 48 HA LEU 48 10.983 -11.597 -0.937 391 HB2 LEU 48 2HB LEU 48 11.900 -10.718 1.797 392 HB3 LEU 48 3HB LEU 48 10.633 -11.904 1.556 393 HG LEU 48 HG LEU 48 13.138 -12.458 0.086 394 HD11 LEU 48 1HD1 LEU 48 13.925 -11.448 2.261 395 HD12 LEU 48 2HD1 LEU 48 13.132 -12.809 3.090 396 HD13 LEU 48 3HD1 LEU 48 14.459 -13.116 1.944 397 HD21 LEU 48 1HD2 LEU 48 10.872 -13.858 0.717 398 HD22 LEU 48 2HD2 LEU 48 12.416 -14.575 0.199 399 HD23 LEU 48 3HD2 LEU 48 12.026 -14.458 1.932 400 H VAL 49 H VAL 49 10.933 -8.423 0.787 401 HA VAL 49 HA VAL 49 8.026 -8.401 0.406 402 HB VAL 49 HB VAL 49 9.736 -6.653 2.181 403 HG11 VAL 49 1HG1 VAL 49 7.826 -5.451 2.186 404 HG12 VAL 49 2HG1 VAL 49 6.856 -6.797 1.540 405 HG13 VAL 49 3HG1 VAL 49 7.232 -6.725 3.278 406 HG21 VAL 49 1HG2 VAL 49 10.008 -8.456 3.480 407 HG22 VAL 49 2HG2 VAL 49 8.265 -8.346 3.824 408 HG23 VAL 49 3HG2 VAL 49 8.851 -9.417 2.528 409 H LYS 50 H LYS 50 7.257 -7.249 -1.282 410 HA LYS 50 HA LYS 50 9.063 -5.331 -2.522 411 HB2 LYS 50 2HB LYS 50 7.713 -7.269 -3.695 412 HB3 LYS 50 3HB LYS 50 6.394 -6.116 -3.650 413 HG2 LYS 50 2HG LYS 50 9.056 -5.088 -4.600 414 HG3 LYS 50 3HG LYS 50 8.212 -6.193 -5.667 415 HD2 LYS 50 2HD LYS 50 6.116 -4.648 -5.216 416 HD3 LYS 50 3HD LYS 50 7.298 -3.479 -4.660 417 HE2 LYS 50 2HE LYS 50 8.203 -4.627 -7.178 418 HE3 LYS 50 3HE LYS 50 6.554 -4.063 -7.362 419 HZ1 LYS 50 1HZ LYS 50 7.426 -2.061 -7.531 420 HZ2 LYS 50 2HZ LYS 50 7.808 -2.112 -5.944 421 HZ3 LYS 50 3HZ LYS 50 8.912 -2.553 -7.064 422 H TYR 51 H TYR 51 8.413 -3.147 -2.986 423 HA TYR 51 HA TYR 51 6.101 -2.243 -1.420 424 HB2 TYR 51 2HB TYR 51 8.956 -1.103 -1.657 425 HB3 TYR 51 3HB TYR 51 7.650 -0.261 -0.846 426 HD1 TYR 51 1HD TYR 51 9.308 -3.635 -0.760 427 HD2 TYR 51 2HD TYR 51 7.547 -0.432 1.464 428 HE1 TYR 51 1HE TYR 51 9.886 -4.817 1.414 429 HE2 TYR 51 2HE TYR 51 8.132 -1.625 3.631 430 HH TYR 51 HH TYR 51 10.132 -3.460 4.191 431 H VAL 52 H VAL 52 4.675 -1.337 -2.813 432 HA VAL 52 HA VAL 52 5.814 0.110 -5.104 433 HB VAL 52 HB VAL 52 3.300 -1.517 -4.770 434 HG11 VAL 52 1HG1 VAL 52 2.737 0.647 -5.857 435 HG12 VAL 52 2HG1 VAL 52 3.956 0.306 -7.108 436 HG13 VAL 52 3HG1 VAL 52 2.533 -0.751 -6.940 437 HG21 VAL 52 1HG2 VAL 52 4.140 -2.795 -6.626 438 HG22 VAL 52 2HG2 VAL 52 5.461 -1.633 -6.898 439 HG23 VAL 52 3HG2 VAL 52 5.449 -2.638 -5.429 440 H CYS 53 H CYS 53 5.314 2.256 -5.340 441 HA CYS 53 HA CYS 53 3.481 3.325 -3.324 442 HB2 CYS 53 2HB CYS 53 5.673 4.817 -4.768 443 HB3 CYS 53 3HB CYS 53 4.693 5.398 -3.437 444 H CYS 54 H CYS 54 2.050 5.108 -4.061 445 HA CYS 54 HA CYS 54 1.894 5.583 -6.883 446 HB2 CYS 54 2HB CYS 54 -0.638 4.931 -6.766 447 HB3 CYS 54 3HB CYS 54 0.590 3.754 -7.191 448 H ASN 55 H ASN 55 0.352 7.390 -7.315 449 HA ASN 55 HA ASN 55 -0.406 8.749 -4.850 450 HB2 ASN 55 2HB ASN 55 0.189 10.916 -5.965 451 HB3 ASN 55 3HB ASN 55 1.588 9.871 -5.801 452 HD21 ASN 55 1HD2 ASN 55 0.157 11.940 -7.799 453 HD22 ASN 55 2HD2 ASN 55 0.625 11.339 -9.356 454 H THR 56 H THR 56 -2.162 7.058 -6.272 455 HA THR 56 HA THR 56 -3.919 9.008 -7.605 456 HB THR 56 HB THR 56 -4.589 6.753 -8.902 457 HG1 THR 56 1HG THR 56 -1.747 6.500 -8.231 458 HG21 THR 56 1HG2 THR 56 -3.723 8.391 -10.357 459 HG22 THR 56 2HG2 THR 56 -2.255 8.624 -9.377 460 HG23 THR 56 3HG2 THR 56 -2.417 7.182 -10.410 461 H ASP 57 H ASP 57 -6.258 8.243 -7.628 462 HA ASP 57 HA ASP 57 -6.984 7.825 -4.979 463 HB2 ASP 57 2HB ASP 57 -9.194 8.075 -5.743 464 HB3 ASP 57 3HB ASP 57 -8.282 8.920 -6.976 465 HD2 ASP 57 HD ASP 57 -10.573 6.682 -6.491 466 H ARG 58 H ARG 58 -7.617 5.900 -3.889 467 HA ARG 58 HA ARG 58 -7.532 3.770 -3.455 468 HB2 ARG 58 2HB ARG 58 -9.407 4.111 -5.737 469 HB3 ARG 58 3HB ARG 58 -8.865 2.457 -5.528 470 HG2 ARG 58 2HG ARG 58 -10.165 2.183 -3.684 471 HG3 ARG 58 3HG ARG 58 -9.501 3.617 -2.929 472 HD2 ARG 58 2HD ARG 58 -11.770 4.205 -3.160 473 HD3 ARG 58 3HD ARG 58 -11.065 4.942 -4.586 474 HE ARG 58 HE ARG 58 -11.776 2.333 -5.367 475 HH11 ARG 58 1HH1 ARG 58 -15.109 2.899 -6.232 476 HH12 ARG 58 2HH1 ARG 58 -13.747 1.845 -6.415 477 HH21 ARG 58 1HH2 ARG 58 -14.932 4.808 -4.924 478 HH22 ARG 58 2HH2 ARG 58 -13.437 5.178 -4.130 479 H CYS 59 H CYS 59 -5.300 4.842 -5.192 480 HA CYS 59 HA CYS 59 -4.583 3.244 -7.252 481 HB2 CYS 59 2HB CYS 59 -2.380 3.963 -6.946 482 HB3 CYS 59 3HB CYS 59 -3.391 5.273 -6.368 483 H ASN 60 H ASN 60 -4.094 2.708 -3.699 484 HA ASN 60 HA ASN 60 -3.299 -0.012 -4.348 485 HB2 ASN 60 2HB ASN 60 -2.367 -0.080 -2.039 486 HB3 ASN 60 3HB ASN 60 -1.709 1.281 -2.924 487 HD21 ASN 60 1HD2 ASN 60 -4.283 0.323 -0.690 488 HD22 ASN 60 2HD2 ASN 60 -4.416 1.824 0.164 Start of MODEL 17 1 H1 LEU 1 H LEU 1 -4.955 13.344 -0.664 2 HA LEU 1 HA LEU 1 -5.908 11.721 -2.903 3 HB2 LEU 1 2HB LEU 1 -3.423 12.490 -2.394 4 HB3 LEU 1 3HB LEU 1 -3.445 11.084 -1.346 5 HG LEU 1 HG LEU 1 -4.243 10.906 -4.253 6 HD11 LEU 1 1HD1 LEU 1 -2.090 11.760 -4.486 7 HD12 LEU 1 2HD1 LEU 1 -1.483 10.902 -3.050 8 HD13 LEU 1 3HD1 LEU 1 -1.847 9.998 -4.539 9 HD21 LEU 1 1HD2 LEU 1 -3.426 8.521 -3.873 10 HD22 LEU 1 2HD2 LEU 1 -3.442 8.910 -2.136 11 HD23 LEU 1 3HD2 LEU 1 -4.948 8.993 -3.080 12 H LYS 2 H LYS 2 -6.722 9.642 -2.612 13 HA LYS 2 HA LYS 2 -7.015 8.817 0.191 14 HB2 LYS 2 2HB LYS 2 -9.098 8.749 -2.012 15 HB3 LYS 2 3HB LYS 2 -9.261 7.910 -0.482 16 HG2 LYS 2 2HG LYS 2 -9.750 9.831 0.659 17 HG3 LYS 2 3HG LYS 2 -8.470 10.733 -0.127 18 HD2 LYS 2 2HD LYS 2 -10.172 11.831 -1.190 19 HD3 LYS 2 3HD LYS 2 -10.222 10.421 -2.230 20 HE2 LYS 2 2HE LYS 2 -11.734 9.741 0.103 21 HE3 LYS 2 3HE LYS 2 -12.228 11.363 -0.342 22 HZ1 LYS 2 1HZ LYS 2 -13.238 10.587 -2.131 23 HZ2 LYS 2 2HZ LYS 2 -11.977 9.658 -2.593 24 HZ3 LYS 2 3HZ LYS 2 -13.061 9.085 -1.515 25 H CYS 3 H CYS 3 -6.842 6.575 0.609 26 HA CYS 3 HA CYS 3 -6.054 4.983 -1.715 27 HB2 CYS 3 2HB CYS 3 -4.688 4.715 0.952 28 HB3 CYS 3 3HB CYS 3 -4.214 4.031 -0.592 29 H ASN 4 H ASN 4 -6.576 2.686 -1.479 30 HA ASN 4 HA ASN 4 -8.939 2.294 -0.036 31 HB2 ASN 4 2HB ASN 4 -7.878 1.095 -2.208 32 HB3 ASN 4 3HB ASN 4 -7.265 -0.033 -1.014 33 HD21 ASN 4 1HD2 ASN 4 -9.736 0.605 -3.063 34 HD22 ASN 4 2HD2 ASN 4 -11.024 -0.302 -2.344 35 H LYS 5 H LYS 5 -9.204 0.401 1.588 36 HA LYS 5 HA LYS 5 -6.966 0.487 3.455 37 HB2 LYS 5 2HB LYS 5 -9.852 -0.374 3.817 38 HB3 LYS 5 3HB LYS 5 -8.635 -0.378 5.079 39 HG2 LYS 5 2HG LYS 5 -8.758 2.203 3.644 40 HG3 LYS 5 3HG LYS 5 -10.288 1.780 4.387 41 HD2 LYS 5 2HD LYS 5 -7.635 1.678 5.892 42 HD3 LYS 5 3HD LYS 5 -8.657 3.101 5.865 43 HE2 LYS 5 2HE LYS 5 -10.459 1.967 6.994 44 HE3 LYS 5 3HE LYS 5 -9.753 0.388 6.706 45 HZ1 LYS 5 1HZ LYS 5 -7.908 1.973 8.067 46 HZ2 LYS 5 2HZ LYS 5 -9.333 2.044 8.864 47 HZ3 LYS 5 3HZ LYS 5 -8.632 0.598 8.571 48 H LEU 6 H LEU 6 -7.425 -1.897 4.872 49 HA LEU 6 HA LEU 6 -5.965 -3.697 3.338 50 HB2 LEU 6 2HB LEU 6 -6.424 -3.416 5.927 51 HB3 LEU 6 3HB LEU 6 -7.656 -4.622 5.616 52 HG LEU 6 HG LEU 6 -4.695 -4.927 5.046 53 HD11 LEU 6 1HD1 LEU 6 -5.962 -6.760 6.953 54 HD12 LEU 6 2HD1 LEU 6 -4.426 -5.866 7.057 55 HD13 LEU 6 3HD1 LEU 6 -5.954 -5.061 7.484 56 HD21 LEU 6 1HD2 LEU 6 -7.001 -6.387 4.058 57 HD22 LEU 6 2HD2 LEU 6 -5.285 -6.510 3.602 58 HD23 LEU 6 3HD2 LEU 6 -5.906 -7.439 4.987 59 H ILE 7 H ILE 7 -9.496 -3.366 3.942 60 HA ILE 7 HA ILE 7 -9.939 -5.620 2.136 61 HB ILE 7 HB ILE 7 -11.768 -4.166 4.046 62 HG12 ILE 7 2HG1 ILE 7 -10.322 -6.812 4.142 63 HG13 ILE 7 3HG1 ILE 7 -10.298 -5.506 5.311 64 HG21 ILE 7 1HG2 ILE 7 -12.702 -5.179 1.792 65 HG22 ILE 7 2HG2 ILE 7 -12.555 -6.710 2.689 66 HG23 ILE 7 3HG2 ILE 7 -13.561 -5.392 3.336 67 HD11 ILE 7 1HD1 ILE 7 -12.622 -7.377 4.690 68 HD12 ILE 7 2HD1 ILE 7 -11.722 -7.230 6.219 69 HD13 ILE 7 3HD1 ILE 7 -12.794 -5.912 5.688 70 HA PRO 8 HA PRO 8 -10.433 -2.722 -1.109 71 HB2 PRO 8 2HB PRO 8 -11.589 -4.475 -2.919 72 HB3 PRO 8 3HB PRO 8 -9.889 -4.332 -2.639 73 HG2 PRO 8 2HG PRO 8 -11.847 -6.354 -1.462 74 HG3 PRO 8 3HG PRO 8 -10.210 -6.611 -2.058 75 HD2 PRO 8 2HD PRO 8 -10.650 -6.432 0.612 76 HD3 PRO 8 3HD PRO 8 -9.187 -5.829 -0.103 77 H LEU 9 H LEU 9 -12.113 -1.549 0.359 78 HA LEU 9 HA LEU 9 -14.280 -0.891 -1.261 79 HB2 LEU 9 2HB LEU 9 -16.101 -1.950 -0.428 80 HB3 LEU 9 3HB LEU 9 -14.910 -3.230 -0.301 81 HG LEU 9 HG LEU 9 -14.611 -2.192 2.150 82 HD11 LEU 9 1HD1 LEU 9 -17.563 -1.855 1.954 83 HD12 LEU 9 2HD1 LEU 9 -16.384 -1.090 3.046 84 HD13 LEU 9 3HD1 LEU 9 -16.538 -0.524 1.365 85 HD21 LEU 9 1HD2 LEU 9 -16.114 -3.935 2.975 86 HD22 LEU 9 2HD2 LEU 9 -16.826 -4.101 1.352 87 HD23 LEU 9 3HD2 LEU 9 -15.119 -4.524 1.622 88 H ALA 10 H ALA 10 -12.729 -1.057 1.948 89 HA ALA 10 HA ALA 10 -13.956 1.490 2.664 90 HB1 ALA 10 1HB ALA 10 -12.092 0.451 4.611 91 HB2 ALA 10 2HB ALA 10 -13.857 0.647 4.742 92 HB3 ALA 10 3HB ALA 10 -13.176 -0.854 4.072 93 H TYR 11 H TYR 11 -12.918 3.381 2.282 94 HA TYR 11 HA TYR 11 -9.992 3.254 2.009 95 HB2 TYR 11 2HB TYR 11 -10.348 4.987 0.204 96 HB3 TYR 11 3HB TYR 11 -11.204 3.509 -0.186 97 HD1 TYR 11 1HD TYR 11 -11.591 6.994 0.978 98 HD2 TYR 11 2HD TYR 11 -13.620 3.439 -0.264 99 HE1 TYR 11 1HE TYR 11 -13.758 8.304 0.750 100 HE2 TYR 11 2HE TYR 11 -15.782 4.760 -0.488 101 HH TYR 11 HH TYR 11 -16.789 6.680 0.157 102 H LYS 12 H LYS 12 -8.846 5.232 2.591 103 HA LYS 12 HA LYS 12 -10.447 7.171 4.065 104 HB2 LYS 12 2HB LYS 12 -8.213 5.506 5.238 105 HB3 LYS 12 3HB LYS 12 -8.690 7.046 5.920 106 HG2 LYS 12 2HG LYS 12 -10.855 5.022 5.342 107 HG3 LYS 12 3HG LYS 12 -9.816 4.742 6.726 108 HD2 LYS 12 2HD LYS 12 -11.304 6.087 7.831 109 HD3 LYS 12 3HD LYS 12 -10.393 7.397 7.105 110 HE2 LYS 12 2HE LYS 12 -12.431 8.040 6.271 111 HE3 LYS 12 3HE LYS 12 -12.113 6.828 5.045 112 HZ1 LYS 12 1HZ LYS 12 -13.396 5.276 6.205 113 HZ2 LYS 12 2HZ LYS 12 -13.463 6.178 7.564 114 HZ3 LYS 12 3HZ LYS 12 -14.277 6.651 6.231 115 H THR 13 H THR 13 -9.150 9.178 4.555 116 HA THR 13 HA THR 13 -7.565 9.803 2.225 117 HB THR 13 HB THR 13 -8.680 11.349 4.612 118 HG1 THR 13 1HG THR 13 -9.006 11.489 1.703 119 HG21 THR 13 1HG2 THR 13 -6.851 12.753 4.110 120 HG22 THR 13 2HG2 THR 13 -6.759 12.190 2.425 121 HG23 THR 13 3HG2 THR 13 -8.045 13.318 2.916 122 H CYS 14 H CYS 14 -5.412 10.566 2.198 123 HA CYS 14 HA CYS 14 -3.780 9.191 4.078 124 HB2 CYS 14 2HB CYS 14 -2.904 11.183 1.986 125 HB3 CYS 14 3HB CYS 14 -1.923 9.959 2.770 126 HA PRO 15 HA PRO 15 -4.119 12.446 7.090 127 HB2 PRO 15 2HB PRO 15 -1.693 11.000 8.121 128 HB3 PRO 15 3HB PRO 15 -3.066 11.561 9.006 129 HG2 PRO 15 2HG PRO 15 -2.926 8.952 8.381 130 HG3 PRO 15 3HG PRO 15 -4.468 9.778 8.177 131 HD2 PRO 15 2HD PRO 15 -2.477 9.035 6.029 132 HD3 PRO 15 3HD PRO 15 -4.209 8.936 5.988 133 H ALA 16 H ALA 16 -2.426 13.866 8.502 134 HA ALA 16 HA ALA 16 -1.369 15.693 6.665 135 HB1 ALA 16 1HB ALA 16 -2.051 16.557 8.742 136 HB2 ALA 16 2HB ALA 16 -1.205 15.287 9.657 137 HB3 ALA 16 3HB ALA 16 -0.274 16.579 8.861 138 H GLY 17 H GLY 17 0.507 15.671 5.536 139 HA2 GLY 17 1HA GLY 17 2.812 15.459 5.345 140 HA3 GLY 17 2HA GLY 17 2.845 14.357 6.708 141 H LYS 18 H LYS 18 0.417 12.849 5.552 142 HA LYS 18 HA LYS 18 2.002 11.239 3.699 143 HB2 LYS 18 2HB LYS 18 -0.237 10.671 5.613 144 HB3 LYS 18 3HB LYS 18 -0.029 9.630 4.218 145 HG2 LYS 18 2HG LYS 18 2.357 9.243 4.855 146 HG3 LYS 18 3HG LYS 18 2.160 10.294 6.245 147 HD2 LYS 18 2HD LYS 18 0.023 8.469 6.475 148 HD3 LYS 18 3HD LYS 18 1.355 7.483 5.905 149 HE2 LYS 18 2HE LYS 18 2.204 9.369 8.007 150 HE3 LYS 18 3HE LYS 18 0.918 8.313 8.557 151 HZ1 LYS 18 1HZ LYS 18 2.210 6.435 7.853 152 HZ2 LYS 18 2HZ LYS 18 3.393 7.394 7.267 153 HZ3 LYS 18 3HZ LYS 18 3.098 7.348 8.873 154 H ASN 19 H ASN 19 1.774 12.000 1.641 155 HA ASN 19 HA ASN 19 -0.984 12.415 0.792 156 HB2 ASN 19 2HB ASN 19 -0.235 14.176 -0.711 157 HB3 ASN 19 3HB ASN 19 0.456 14.527 0.860 158 HD21 ASN 19 1HD2 ASN 19 2.648 14.040 1.279 159 HD22 ASN 19 2HD2 ASN 19 3.818 13.928 0.006 160 H LEU 20 H LEU 20 1.267 10.150 0.799 161 HA LEU 20 HA LEU 20 1.000 9.544 -2.063 162 HB2 LEU 20 2HB LEU 20 3.387 9.524 -0.296 163 HB3 LEU 20 3HB LEU 20 3.232 8.205 -1.438 164 HG LEU 20 HG LEU 20 3.075 11.109 -2.268 165 HD11 LEU 20 1HD1 LEU 20 5.492 9.326 -1.966 166 HD12 LEU 20 2HD1 LEU 20 5.464 10.724 -3.066 167 HD13 LEU 20 3HD1 LEU 20 5.222 10.961 -1.318 168 HD21 LEU 20 1HD2 LEU 20 4.079 9.178 -4.203 169 HD22 LEU 20 2HD2 LEU 20 2.440 8.777 -3.635 170 HD23 LEU 20 3HD2 LEU 20 2.770 10.375 -4.347 171 H CYS 21 H CYS 21 0.957 7.189 -2.546 172 HA CYS 21 HA CYS 21 -0.283 5.777 -0.301 173 HB2 CYS 21 2HB CYS 21 -0.722 5.538 -3.278 174 HB3 CYS 21 3HB CYS 21 -1.321 4.362 -2.125 175 H TYR 22 H TYR 22 0.241 3.437 -0.124 176 HA TYR 22 HA TYR 22 2.561 2.564 -1.650 177 HB2 TYR 22 2HB TYR 22 3.919 2.413 0.299 178 HB3 TYR 22 3HB TYR 22 2.981 3.836 0.703 179 HD1 TYR 22 1HD TYR 22 3.046 0.126 1.159 180 HD2 TYR 22 2HD TYR 22 1.691 3.893 2.669 181 HE1 TYR 22 1HE TYR 22 2.220 -1.012 3.278 182 HE2 TYR 22 2HE TYR 22 0.868 2.742 4.781 183 HH TYR 22 HH TYR 22 1.473 -0.702 5.309 184 H LYS 23 H LYS 23 3.039 0.202 -1.234 185 HA LYS 23 HA LYS 23 0.853 -1.257 -0.019 186 HB2 LYS 23 2HB LYS 23 0.306 -2.538 -1.979 187 HB3 LYS 23 3HB LYS 23 0.086 -0.838 -2.335 188 HG2 LYS 23 2HG LYS 23 2.317 -0.766 -3.449 189 HG3 LYS 23 3HG LYS 23 2.574 -2.456 -3.064 190 HD2 LYS 23 2HD LYS 23 1.790 -2.357 -5.355 191 HD3 LYS 23 3HD LYS 23 0.488 -3.024 -4.391 192 HE2 LYS 23 2HE LYS 23 -0.015 -0.282 -4.243 193 HE3 LYS 23 3HE LYS 23 0.613 -0.455 -5.868 194 HZ1 LYS 23 1HZ LYS 23 -1.410 -1.143 -6.368 195 HZ2 LYS 23 2HZ LYS 23 -1.077 -2.543 -5.595 196 HZ3 LYS 23 3HZ LYS 23 -1.857 -1.341 -4.810 197 H MET 24 H MET 24 1.635 -3.009 1.055 198 HA MET 24 HA MET 24 4.423 -3.637 0.519 199 HB2 MET 24 2HB MET 24 2.586 -3.733 2.918 200 HB3 MET 24 3HB MET 24 3.854 -4.941 2.855 201 HG2 MET 24 2HG MET 24 5.571 -3.152 2.598 202 HG3 MET 24 3HG MET 24 4.318 -1.929 2.602 203 HE1 MET 24 1HE MET 24 6.494 -3.652 6.017 204 HE2 MET 24 2HE MET 24 6.752 -3.807 4.263 205 HE3 MET 24 3HE MET 24 6.883 -2.213 5.044 206 H PHE 25 H PHE 25 4.807 -5.419 -0.717 207 HA PHE 25 HA PHE 25 2.784 -7.540 -0.638 208 HB2 PHE 25 2HB PHE 25 4.800 -6.447 -2.656 209 HB3 PHE 25 3HB PHE 25 4.242 -8.099 -2.835 210 HD1 PHE 25 1HD PHE 25 2.973 -7.987 -4.796 211 HD2 PHE 25 2HD PHE 25 2.264 -5.159 -1.712 212 HE1 PHE 25 1HE PHE 25 0.939 -7.166 -6.016 213 HE2 PHE 25 2HE PHE 25 0.231 -4.338 -2.932 214 HZ PHE 25 HZ PHE 25 -0.408 -5.351 -5.069 215 H MET 26 H MET 26 3.436 -9.737 -0.409 216 HA MET 26 HA MET 26 6.149 -9.977 0.635 217 HB2 MET 26 2HB MET 26 3.622 -11.633 1.183 218 HB3 MET 26 3HB MET 26 5.189 -11.967 1.894 219 HG2 MET 26 2HG MET 26 4.424 -9.150 2.271 220 HG3 MET 26 3HG MET 26 3.213 -10.234 2.928 221 HE1 MET 26 1HE MET 26 5.330 -12.544 5.246 222 HE2 MET 26 2HE MET 26 3.693 -11.854 5.128 223 HE3 MET 26 3HE MET 26 4.414 -12.677 3.724 224 H VAL 27 H VAL 27 7.499 -11.677 -0.088 225 HA VAL 27 HA VAL 27 7.300 -12.479 -2.675 226 HB VAL 27 HB VAL 27 9.156 -12.656 -0.805 227 HG11 VAL 27 1HG1 VAL 27 8.109 -14.388 0.527 228 HG12 VAL 27 2HG1 VAL 27 7.999 -15.462 -0.889 229 HG13 VAL 27 3HG1 VAL 27 9.591 -15.036 -0.216 230 HG21 VAL 27 1HG2 VAL 27 8.817 -14.242 -3.340 231 HG22 VAL 27 2HG2 VAL 27 9.871 -12.847 -3.005 232 HG23 VAL 27 3HG2 VAL 27 10.278 -14.449 -2.343 233 H SER 28 H SER 28 5.882 -13.985 0.252 234 HA SER 28 HA SER 28 5.231 -16.415 -0.617 235 HB2 SER 28 2HB SER 28 4.589 -15.812 1.589 236 HB3 SER 28 3HB SER 28 3.682 -14.414 1.049 237 HG SER 28 HG SER 28 2.950 -17.160 0.483 238 H ASN 29 H ASN 29 3.755 -13.303 -1.597 239 HA ASN 29 HA ASN 29 2.706 -14.553 -3.910 240 HB2 ASN 29 2HB ASN 29 0.922 -14.959 -2.080 241 HB3 ASN 29 3HB ASN 29 0.696 -13.222 -2.025 242 HD21 ASN 29 1HD2 ASN 29 -0.901 -15.662 -2.952 243 HD22 ASN 29 2HD2 ASN 29 -1.535 -15.218 -4.502 244 H LYS 30 H LYS 30 4.034 -12.922 -4.952 245 HA LYS 30 HA LYS 30 3.807 -10.182 -4.209 246 HB2 LYS 30 2HB LYS 30 5.515 -11.819 -5.833 247 HB3 LYS 30 3HB LYS 30 4.955 -10.471 -6.801 248 HG2 LYS 30 2HG LYS 30 5.590 -8.928 -4.856 249 HG3 LYS 30 3HG LYS 30 6.329 -10.314 -4.079 250 HD2 LYS 30 2HD LYS 30 7.226 -10.141 -6.851 251 HD3 LYS 30 3HD LYS 30 7.491 -8.607 -6.045 252 HE2 LYS 30 2HE LYS 30 8.779 -9.677 -4.265 253 HE3 LYS 30 3HE LYS 30 8.349 -11.276 -4.838 254 HZ1 LYS 30 1HZ LYS 30 9.486 -9.839 -6.935 255 HZ2 LYS 30 2HZ LYS 30 10.476 -9.722 -5.641 256 HZ3 LYS 30 3HZ LYS 30 10.047 -11.191 -6.211 257 H THR 31 H THR 31 1.659 -12.263 -5.693 258 HA THR 31 HA THR 31 0.665 -10.230 -7.557 259 HB THR 31 HB THR 31 -0.184 -13.145 -7.157 260 HG1 THR 31 1HG THR 31 1.315 -13.328 -9.067 261 HG21 THR 31 1HG2 THR 31 -1.693 -12.632 -8.796 262 HG22 THR 31 2HG2 THR 31 -1.062 -10.971 -8.910 263 HG23 THR 31 3HG2 THR 31 -0.317 -12.275 -9.866 264 H VAL 32 H VAL 32 0.359 -11.086 -4.321 265 HA VAL 32 HA VAL 32 -2.238 -9.762 -4.250 266 HB VAL 32 HB VAL 32 -1.574 -12.438 -3.019 267 HG11 VAL 32 1HG1 VAL 32 -3.206 -10.334 -1.928 268 HG12 VAL 32 2HG1 VAL 32 -4.242 -11.704 -2.397 269 HG13 VAL 32 3HG1 VAL 32 -2.881 -11.959 -1.278 270 HG21 VAL 32 1HG2 VAL 32 -4.051 -12.646 -4.158 271 HG22 VAL 32 2HG2 VAL 32 -3.254 -11.496 -5.258 272 HG23 VAL 32 3HG2 VAL 32 -2.525 -13.091 -4.958 273 HA PRO 33 HA PRO 33 0.130 -7.545 -1.315 274 HB2 PRO 33 2HB PRO 33 -1.828 -5.839 -0.443 275 HB3 PRO 33 3HB PRO 33 -1.010 -5.655 -1.953 276 HG2 PRO 33 2HG PRO 33 -3.743 -6.887 -1.408 277 HG3 PRO 33 3HG PRO 33 -3.242 -5.837 -2.729 278 HD2 PRO 33 2HD PRO 33 -3.446 -8.551 -3.067 279 HD3 PRO 33 3HD PRO 33 -2.354 -7.570 -3.993 280 H VAL 34 H VAL 34 0.538 -7.063 0.920 281 HA VAL 34 HA VAL 34 -0.956 -8.861 2.701 282 HB VAL 34 HB VAL 34 1.605 -9.109 2.090 283 HG11 VAL 34 1HG1 VAL 34 3.126 -7.863 3.291 284 HG12 VAL 34 2HG1 VAL 34 1.871 -6.639 2.986 285 HG13 VAL 34 3HG1 VAL 34 1.955 -7.453 4.566 286 HG21 VAL 34 1HG2 VAL 34 1.399 -10.710 3.628 287 HG22 VAL 34 2HG2 VAL 34 1.510 -9.506 4.933 288 HG23 VAL 34 3HG2 VAL 34 -0.075 -9.917 4.235 289 H LYS 35 H LYS 35 0.307 -5.589 2.095 290 HA LYS 35 HA LYS 35 -1.506 -4.582 4.091 291 HB2 LYS 35 2HB LYS 35 1.409 -4.743 4.564 292 HB3 LYS 35 3HB LYS 35 0.704 -3.166 4.851 293 HG2 LYS 35 2HG LYS 35 -0.917 -5.415 5.926 294 HG3 LYS 35 3HG LYS 35 0.673 -5.278 6.654 295 HD2 LYS 35 2HD LYS 35 0.183 -3.279 7.690 296 HD3 LYS 35 3HD LYS 35 -0.754 -2.682 6.336 297 HE2 LYS 35 2HE LYS 35 -2.501 -3.029 7.815 298 HE3 LYS 35 3HE LYS 35 -2.447 -4.635 7.114 299 HZ1 LYS 35 1HZ LYS 35 -2.166 -4.066 9.721 300 HZ2 LYS 35 2HZ LYS 35 -1.731 -5.474 9.018 301 HZ3 LYS 35 3HZ LYS 35 -0.616 -4.307 9.264 302 H ARG 36 H ARG 36 -1.910 -2.284 3.820 303 HA ARG 36 HA ARG 36 -0.542 -0.979 1.697 304 HB2 ARG 36 2HB ARG 36 -2.592 -0.575 0.320 305 HB3 ARG 36 3HB ARG 36 -2.188 -2.279 0.388 306 HG2 ARG 36 2HG ARG 36 -3.876 -1.791 2.639 307 HG3 ARG 36 3HG ARG 36 -4.610 -0.936 1.298 308 HD2 ARG 36 2HD ARG 36 -3.774 -3.877 1.249 309 HD3 ARG 36 3HD ARG 36 -5.415 -3.305 1.468 310 HE ARG 36 HE ARG 36 -4.421 -2.100 -0.907 311 HH11 ARG 36 1HH1 ARG 36 -5.448 -4.574 -3.144 312 HH12 ARG 36 2HH1 ARG 36 -4.937 -2.929 -2.973 313 HH21 ARG 36 1HH2 ARG 36 -5.609 -5.939 -1.273 314 HH22 ARG 36 2HH2 ARG 36 -5.218 -5.312 0.292 315 H GLY 37 H GLY 37 -1.002 1.345 1.682 316 HA2 GLY 37 1HA GLY 37 -3.053 2.574 3.125 317 HA3 GLY 37 2HA GLY 37 -1.683 2.405 4.205 318 H CYS 38 H CYS 38 -1.727 4.844 4.133 319 HA CYS 38 HA CYS 38 -0.554 5.860 1.657 320 HB2 CYS 38 2HB CYS 38 -1.970 7.263 3.926 321 HB3 CYS 38 3HB CYS 38 -1.118 8.110 2.649 322 H ILE 39 H ILE 39 1.383 7.231 1.838 323 HA ILE 39 HA ILE 39 2.700 7.252 4.420 324 HB ILE 39 HB ILE 39 3.212 5.085 3.080 325 HG12 ILE 39 2HG1 ILE 39 5.534 6.720 4.127 326 HG13 ILE 39 3HG1 ILE 39 4.330 5.988 5.169 327 HG21 ILE 39 1HG2 ILE 39 4.938 7.104 1.625 328 HG22 ILE 39 2HG2 ILE 39 5.177 5.341 1.578 329 HG23 ILE 39 3HG2 ILE 39 3.681 6.054 0.930 330 HD11 ILE 39 1HD1 ILE 39 6.634 4.731 4.281 331 HD12 ILE 39 2HD1 ILE 39 5.191 3.892 4.900 332 HD13 ILE 39 3HD1 ILE 39 5.409 4.111 3.146 333 H ASP 40 H ASP 40 4.625 8.709 4.398 334 HA ASP 40 HA ASP 40 4.019 10.920 2.684 335 HB2 ASP 40 2HB ASP 40 5.870 12.031 4.051 336 HB3 ASP 40 3HB ASP 40 4.479 11.488 4.968 337 HD2 ASP 40 HD ASP 40 5.097 10.599 6.778 338 H ALA 41 H ALA 41 6.576 8.467 3.286 339 HA ALA 41 HA ALA 41 7.968 9.444 0.887 340 HB1 ALA 41 1HB ALA 41 9.237 8.063 3.279 341 HB2 ALA 41 2HB ALA 41 10.061 8.851 1.912 342 HB3 ALA 41 3HB ALA 41 9.162 9.831 3.095 343 H CYS 42 H CYS 42 8.957 7.760 -0.446 344 HA CYS 42 HA CYS 42 7.322 5.391 -0.412 345 HB2 CYS 42 2HB CYS 42 7.829 6.713 -2.482 346 HB3 CYS 42 3HB CYS 42 9.492 6.168 -2.369 347 HA PRO 43 HA PRO 43 10.328 3.413 2.206 348 HB2 PRO 43 2HB PRO 43 8.793 1.009 1.261 349 HB3 PRO 43 3HB PRO 43 9.270 1.420 2.871 350 HG2 PRO 43 2HG PRO 43 6.724 1.868 2.130 351 HG3 PRO 43 3HG PRO 43 7.554 3.107 3.066 352 HD2 PRO 43 2HD PRO 43 7.034 3.089 0.086 353 HD3 PRO 43 3HD PRO 43 6.892 4.406 1.204 354 H LYS 44 H LYS 44 11.635 1.155 2.184 355 HA LYS 44 HA LYS 44 13.203 1.320 -0.271 356 HB2 LYS 44 2HB LYS 44 14.048 1.499 2.251 357 HB3 LYS 44 3HB LYS 44 14.083 -0.248 2.120 358 HG2 LYS 44 2HG LYS 44 15.434 0.007 -0.025 359 HG3 LYS 44 3HG LYS 44 15.501 1.731 0.276 360 HD2 LYS 44 2HD LYS 44 16.946 1.512 2.092 361 HD3 LYS 44 3HD LYS 44 16.329 -0.066 2.539 362 HE2 LYS 44 2HE LYS 44 18.462 -0.576 1.661 363 HE3 LYS 44 3HE LYS 44 17.405 -0.905 0.304 364 HZ1 LYS 44 1HZ LYS 44 19.055 1.476 0.734 365 HZ2 LYS 44 2HZ LYS 44 19.124 0.414 -0.504 366 HZ3 LYS 44 3HZ LYS 44 17.861 1.442 -0.380 367 H ASN 45 H ASN 45 12.569 -0.039 -1.861 368 HA ASN 45 HA ASN 45 10.916 -2.169 -1.512 369 HB2 ASN 45 2HB ASN 45 11.766 -2.918 -3.781 370 HB3 ASN 45 3HB ASN 45 11.344 -1.218 -3.731 371 HD21 ASN 45 1HD2 ASN 45 12.892 0.347 -3.872 372 HD22 ASN 45 2HD2 ASN 45 14.545 0.046 -4.296 373 H SER 46 H SER 46 11.359 -4.537 -1.563 374 HA SER 46 HA SER 46 14.106 -5.211 -0.894 375 HB2 SER 46 2HB SER 46 11.662 -6.286 0.580 376 HB3 SER 46 3HB SER 46 13.329 -6.722 0.899 377 HG SER 46 HG SER 46 12.101 -4.126 1.263 378 H LEU 47 H LEU 47 14.210 -7.839 -0.834 379 HA LEU 47 HA LEU 47 13.122 -8.631 -3.400 380 HB2 LEU 47 2HB LEU 47 15.549 -8.907 -2.557 381 HB3 LEU 47 3HB LEU 47 14.929 -10.267 -1.642 382 HG LEU 47 HG LEU 47 14.534 -10.038 -4.629 383 HD11 LEU 47 1HD1 LEU 47 16.530 -11.864 -4.395 384 HD12 LEU 47 2HD1 LEU 47 16.773 -10.149 -4.804 385 HD13 LEU 47 3HD1 LEU 47 16.987 -10.701 -3.126 386 HD21 LEU 47 1HD2 LEU 47 13.430 -11.752 -2.777 387 HD22 LEU 47 2HD2 LEU 47 13.576 -12.053 -4.526 388 HD23 LEU 47 3HD2 LEU 47 14.808 -12.685 -3.406 389 H LEU 48 H LEU 48 12.942 -9.493 0.089 390 HA LEU 48 HA LEU 48 11.135 -11.656 -0.450 391 HB2 LEU 48 2HB LEU 48 12.416 -10.433 1.949 392 HB3 LEU 48 3HB LEU 48 10.962 -11.386 2.179 393 HG LEU 48 HG LEU 48 12.417 -13.072 0.603 394 HD11 LEU 48 1HD1 LEU 48 14.614 -12.739 0.645 395 HD12 LEU 48 2HD1 LEU 48 14.284 -11.121 1.312 396 HD13 LEU 48 3HD1 LEU 48 14.611 -12.485 2.408 397 HD21 LEU 48 1HD2 LEU 48 11.297 -13.157 3.056 398 HD22 LEU 48 2HD2 LEU 48 12.314 -14.455 2.384 399 HD23 LEU 48 3HD2 LEU 48 13.018 -13.258 3.499 400 H VAL 49 H VAL 49 10.980 -8.193 0.144 401 HA VAL 49 HA VAL 49 8.060 -8.422 0.077 402 HB VAL 49 HB VAL 49 9.667 -6.605 1.884 403 HG11 VAL 49 1HG1 VAL 49 7.826 -5.378 2.211 404 HG12 VAL 49 2HG1 VAL 49 7.115 -6.210 0.808 405 HG13 VAL 49 3HG1 VAL 49 6.821 -6.826 2.451 406 HG21 VAL 49 1HG2 VAL 49 9.592 -9.036 2.551 407 HG22 VAL 49 2HG2 VAL 49 8.884 -7.908 3.731 408 HG23 VAL 49 3HG2 VAL 49 7.824 -8.877 2.680 409 H LYS 50 H LYS 50 7.162 -7.187 -1.505 410 HA LYS 50 HA LYS 50 8.969 -5.331 -2.859 411 HB2 LYS 50 2HB LYS 50 7.668 -7.323 -3.979 412 HB3 LYS 50 3HB LYS 50 6.311 -6.216 -3.946 413 HG2 LYS 50 2HG LYS 50 8.875 -5.032 -4.920 414 HG3 LYS 50 3HG LYS 50 8.207 -6.288 -5.943 415 HD2 LYS 50 2HD LYS 50 6.135 -4.403 -5.014 416 HD3 LYS 50 3HD LYS 50 7.415 -3.591 -5.893 417 HE2 LYS 50 2HE LYS 50 6.407 -6.145 -7.103 418 HE3 LYS 50 3HE LYS 50 5.290 -4.796 -7.114 419 HZ1 LYS 50 1HZ LYS 50 8.024 -4.303 -7.949 420 HZ2 LYS 50 2HZ LYS 50 7.041 -5.101 -8.981 421 HZ3 LYS 50 3HZ LYS 50 6.640 -3.604 -8.464 422 H TYR 51 H TYR 51 8.651 -3.151 -2.819 423 HA TYR 51 HA TYR 51 6.183 -2.246 -1.495 424 HB2 TYR 51 2HB TYR 51 9.014 -1.042 -1.708 425 HB3 TYR 51 3HB TYR 51 7.701 -0.328 -0.793 426 HD1 TYR 51 1HD TYR 51 7.637 -0.709 1.496 427 HD2 TYR 51 2HD TYR 51 9.560 -3.585 -1.021 428 HE1 TYR 51 1HE TYR 51 8.352 -2.035 3.545 429 HE2 TYR 51 2HE TYR 51 10.268 -4.900 1.036 430 HH TYR 51 HH TYR 51 8.944 -4.752 3.811 431 H VAL 52 H VAL 52 4.810 -1.089 -2.747 432 HA VAL 52 HA VAL 52 5.994 0.366 -5.008 433 HB VAL 52 HB VAL 52 3.557 -1.400 -4.889 434 HG11 VAL 52 1HG1 VAL 52 2.519 0.293 -6.015 435 HG12 VAL 52 2HG1 VAL 52 4.047 0.999 -6.593 436 HG13 VAL 52 3HG1 VAL 52 3.377 -0.446 -7.387 437 HG21 VAL 52 1HG2 VAL 52 5.591 -1.316 -7.102 438 HG22 VAL 52 2HG2 VAL 52 5.975 -2.145 -5.574 439 HG23 VAL 52 3HG2 VAL 52 4.575 -2.666 -6.541 440 H CYS 53 H CYS 53 5.352 2.487 -5.231 441 HA CYS 53 HA CYS 53 3.348 3.371 -3.283 442 HB2 CYS 53 2HB CYS 53 5.629 5.004 -4.405 443 HB3 CYS 53 3HB CYS 53 4.488 5.496 -3.167 444 H CYS 54 H CYS 54 1.816 4.987 -4.047 445 HA CYS 54 HA CYS 54 1.927 5.590 -6.883 446 HB2 CYS 54 2HB CYS 54 -0.653 5.038 -6.836 447 HB3 CYS 54 3HB CYS 54 0.553 3.843 -7.269 448 H ASN 55 H ASN 55 0.426 7.429 -7.405 449 HA ASN 55 HA ASN 55 -0.253 8.898 -4.979 450 HB2 ASN 55 2HB ASN 55 0.259 10.994 -6.276 451 HB3 ASN 55 3HB ASN 55 1.669 9.965 -6.109 452 HD21 ASN 55 1HD2 ASN 55 0.509 11.983 -8.144 453 HD22 ASN 55 2HD2 ASN 55 0.768 11.237 -9.686 454 H THR 56 H THR 56 -2.093 7.126 -6.192 455 HA THR 56 HA THR 56 -3.948 9.007 -7.488 456 HB THR 56 HB THR 56 -4.671 6.705 -8.668 457 HG1 THR 56 1HG THR 56 -2.808 5.330 -8.789 458 HG21 THR 56 1HG2 THR 56 -2.584 8.725 -9.354 459 HG22 THR 56 2HG2 THR 56 -2.411 7.167 -10.197 460 HG23 THR 56 3HG2 THR 56 -3.920 8.099 -10.350 461 H ASP 57 H ASP 57 -6.272 8.240 -7.325 462 HA ASP 57 HA ASP 57 -6.766 7.795 -4.601 463 HB2 ASP 57 2HB ASP 57 -9.012 8.215 -5.136 464 HB3 ASP 57 3HB ASP 57 -8.176 9.055 -6.427 465 HD2 ASP 57 HD ASP 57 -9.018 6.858 -8.882 466 H ARG 58 H ARG 58 -7.647 5.880 -3.582 467 HA ARG 58 HA ARG 58 -7.583 3.717 -3.247 468 HB2 ARG 58 2HB ARG 58 -9.558 4.254 -5.430 469 HB3 ARG 58 3HB ARG 58 -9.151 2.564 -5.208 470 HG2 ARG 58 2HG ARG 58 -10.373 2.435 -3.297 471 HG3 ARG 58 3HG ARG 58 -9.556 3.824 -2.609 472 HD2 ARG 58 2HD ARG 58 -11.681 4.735 -2.760 473 HD3 ARG 58 3HD ARG 58 -11.118 5.156 -4.365 474 HE ARG 58 HE ARG 58 -12.152 2.654 -4.788 475 HH11 ARG 58 1HH1 ARG 58 -15.600 3.189 -4.740 476 HH12 ARG 58 2HH1 ARG 58 -14.326 2.145 -5.274 477 HH21 ARG 58 1HH2 ARG 58 -15.099 5.106 -3.530 478 HH22 ARG 58 2HH2 ARG 58 -13.452 5.491 -3.161 479 H CYS 59 H CYS 59 -5.349 4.668 -4.951 480 HA CYS 59 HA CYS 59 -4.922 3.106 -7.172 481 HB2 CYS 59 2HB CYS 59 -2.678 3.747 -7.062 482 HB3 CYS 59 3HB CYS 59 -3.587 5.088 -6.392 483 H ASN 60 H ASN 60 -4.070 2.549 -3.686 484 HA ASN 60 HA ASN 60 -3.436 -0.192 -4.401 485 HB2 ASN 60 2HB ASN 60 -2.341 -0.297 -2.168 486 HB3 ASN 60 3HB ASN 60 -1.718 1.055 -3.090 487 HD21 ASN 60 1HD2 ASN 60 -4.146 0.137 -0.682 488 HD22 ASN 60 2HD2 ASN 60 -4.182 1.633 0.189 Start of MODEL 18 1 H1 LEU 1 H LEU 1 -4.087 12.354 0.293 2 HA LEU 1 HA LEU 1 -5.604 11.681 -2.075 3 HB2 LEU 1 2HB LEU 1 -2.996 11.752 -1.667 4 HB3 LEU 1 3HB LEU 1 -3.258 10.116 -1.094 5 HG LEU 1 HG LEU 1 -4.487 10.753 -3.715 6 HD11 LEU 1 1HD1 LEU 1 -2.022 10.174 -4.630 7 HD12 LEU 1 2HD1 LEU 1 -2.647 11.831 -4.457 8 HD13 LEU 1 3HD1 LEU 1 -1.594 11.141 -3.199 9 HD21 LEU 1 1HD2 LEU 1 -2.999 8.438 -2.483 10 HD22 LEU 1 2HD2 LEU 1 -4.694 8.526 -3.019 11 HD23 LEU 1 3HD2 LEU 1 -3.381 8.502 -4.221 12 H LYS 2 H LYS 2 -7.149 10.134 -2.184 13 HA LYS 2 HA LYS 2 -7.633 8.612 0.243 14 HB2 LYS 2 2HB LYS 2 -9.249 9.369 -2.172 15 HB3 LYS 2 3HB LYS 2 -9.722 7.966 -1.233 16 HG2 LYS 2 2HG LYS 2 -9.818 9.336 0.830 17 HG3 LYS 2 3HG LYS 2 -9.241 10.739 -0.045 18 HD2 LYS 2 2HD LYS 2 -11.549 9.608 -1.423 19 HD3 LYS 2 3HD LYS 2 -11.943 9.875 0.263 20 HE2 LYS 2 2HE LYS 2 -10.435 12.103 -1.029 21 HE3 LYS 2 3HE LYS 2 -12.034 11.825 -1.689 22 HZ1 LYS 2 1HZ LYS 2 -11.838 11.816 1.184 23 HZ2 LYS 2 2HZ LYS 2 -11.603 13.261 0.460 24 HZ3 LYS 2 3HZ LYS 2 -12.997 12.443 0.221 25 H CYS 3 H CYS 3 -7.198 6.467 0.470 26 HA CYS 3 HA CYS 3 -6.537 5.018 -1.984 27 HB2 CYS 3 2HB CYS 3 -4.880 5.409 0.449 28 HB3 CYS 3 3HB CYS 3 -4.894 3.800 -0.244 29 H ASN 4 H ASN 4 -7.022 2.695 -1.840 30 HA ASN 4 HA ASN 4 -9.319 2.213 -0.322 31 HB2 ASN 4 2HB ASN 4 -8.323 1.128 -2.591 32 HB3 ASN 4 3HB ASN 4 -7.681 -0.058 -1.469 33 HD21 ASN 4 1HD2 ASN 4 -10.693 1.784 -1.968 34 HD22 ASN 4 2HD2 ASN 4 -11.795 0.464 -1.759 35 H LYS 5 H LYS 5 -9.457 0.110 1.126 36 HA LYS 5 HA LYS 5 -7.188 0.195 2.961 37 HB2 LYS 5 2HB LYS 5 -10.027 -0.810 3.324 38 HB3 LYS 5 3HB LYS 5 -8.780 -0.862 4.554 39 HG2 LYS 5 2HG LYS 5 -9.032 1.813 3.325 40 HG3 LYS 5 3HG LYS 5 -10.528 1.276 4.062 41 HD2 LYS 5 2HD LYS 5 -7.814 1.276 5.465 42 HD3 LYS 5 3HD LYS 5 -9.027 2.526 5.656 43 HE2 LYS 5 2HE LYS 5 -10.175 -0.151 6.075 44 HE3 LYS 5 3HE LYS 5 -8.824 0.141 7.153 45 HZ1 LYS 5 1HZ LYS 5 -11.108 1.957 6.805 46 HZ2 LYS 5 2HZ LYS 5 -10.905 0.930 8.058 47 HZ3 LYS 5 3HZ LYS 5 -9.869 2.175 7.845 48 H LEU 6 H LEU 6 -7.466 -2.287 4.220 49 HA LEU 6 HA LEU 6 -6.022 -3.915 2.468 50 HB2 LEU 6 2HB LEU 6 -6.255 -3.781 5.102 51 HB3 LEU 6 3HB LEU 6 -7.443 -5.041 4.837 52 HG LEU 6 HG LEU 6 -4.486 -5.100 4.241 53 HD11 LEU 6 1HD1 LEU 6 -4.325 -6.724 5.856 54 HD12 LEU 6 2HD1 LEU 6 -5.638 -5.721 6.519 55 HD13 LEU 6 3HD1 LEU 6 -6.020 -7.240 5.672 56 HD21 LEU 6 1HD2 LEU 6 -4.867 -7.359 3.239 57 HD22 LEU 6 2HD2 LEU 6 -6.610 -6.996 3.206 58 HD23 LEU 6 3HD2 LEU 6 -5.475 -6.004 2.257 59 H ILE 7 H ILE 7 -9.486 -3.886 3.473 60 HA ILE 7 HA ILE 7 -9.981 -6.052 1.583 61 HB ILE 7 HB ILE 7 -11.708 -4.775 3.707 62 HG12 ILE 7 2HG1 ILE 7 -10.083 -7.311 3.585 63 HG13 ILE 7 3HG1 ILE 7 -10.068 -6.052 4.804 64 HG21 ILE 7 1HG2 ILE 7 -12.418 -7.302 2.247 65 HG22 ILE 7 2HG2 ILE 7 -13.459 -6.178 3.153 66 HG23 ILE 7 3HG2 ILE 7 -12.831 -5.716 1.552 67 HD11 ILE 7 1HD1 ILE 7 -12.320 -6.675 5.560 68 HD12 ILE 7 2HD1 ILE 7 -12.460 -7.864 4.244 69 HD13 ILE 7 3HD1 ILE 7 -11.279 -8.120 5.552 70 HA PRO 8 HA PRO 8 -10.956 -3.108 -1.495 71 HB2 PRO 8 2HB PRO 8 -12.290 -4.843 -3.198 72 HB3 PRO 8 3HB PRO 8 -10.571 -4.668 -3.122 73 HG2 PRO 8 2HG PRO 8 -12.331 -6.761 -1.772 74 HG3 PRO 8 3HG PRO 8 -10.773 -6.966 -2.566 75 HD2 PRO 8 2HD PRO 8 -10.893 -6.862 0.142 76 HD3 PRO 8 3HD PRO 8 -9.537 -6.208 -0.728 77 H LEU 9 H LEU 9 -12.463 -1.989 0.175 78 HA LEU 9 HA LEU 9 -14.825 -1.352 -1.152 79 HB2 LEU 9 2HB LEU 9 -16.509 -2.465 -0.128 80 HB3 LEU 9 3HB LEU 9 -15.286 -3.720 -0.163 81 HG LEU 9 HG LEU 9 -15.819 -1.952 2.238 82 HD11 LEU 9 1HD1 LEU 9 -16.765 -4.796 1.805 83 HD12 LEU 9 2HD1 LEU 9 -17.088 -3.743 3.204 84 HD13 LEU 9 3HD1 LEU 9 -17.787 -3.351 1.614 85 HD21 LEU 9 1HD2 LEU 9 -13.641 -3.608 1.620 86 HD22 LEU 9 2HD2 LEU 9 -14.050 -2.891 3.196 87 HD23 LEU 9 3HD2 LEU 9 -14.623 -4.525 2.787 88 H ALA 10 H ALA 10 -12.879 -1.535 1.831 89 HA ALA 10 HA ALA 10 -14.069 0.955 2.766 90 HB1 ALA 10 1HB ALA 10 -13.846 -0.333 4.637 91 HB2 ALA 10 2HB ALA 10 -12.538 -1.314 3.933 92 HB3 ALA 10 3HB ALA 10 -12.180 0.293 4.610 93 H TYR 11 H TYR 11 -12.837 2.876 3.074 94 HA TYR 11 HA TYR 11 -10.123 2.844 2.001 95 HB2 TYR 11 2HB TYR 11 -10.790 4.820 0.568 96 HB3 TYR 11 3HB TYR 11 -11.717 3.398 0.132 97 HD1 TYR 11 1HD TYR 11 -11.889 6.499 2.213 98 HD2 TYR 11 2HD TYR 11 -14.067 3.465 0.126 99 HE1 TYR 11 1HE TYR 11 -14.050 7.786 2.583 100 HE2 TYR 11 2HE TYR 11 -16.221 4.763 0.503 101 HH TYR 11 HH TYR 11 -17.107 6.606 1.219 102 H LYS 12 H LYS 12 -8.999 4.991 2.423 103 HA LYS 12 HA LYS 12 -10.214 6.621 4.463 104 HB2 LYS 12 2HB LYS 12 -9.446 5.244 6.098 105 HB3 LYS 12 3HB LYS 12 -8.193 4.544 5.093 106 HG2 LYS 12 2HG LYS 12 -7.950 7.449 5.901 107 HG3 LYS 12 3HG LYS 12 -7.579 6.214 7.086 108 HD2 LYS 12 2HD LYS 12 -6.343 6.250 4.296 109 HD3 LYS 12 3HD LYS 12 -5.600 7.040 5.674 110 HE2 LYS 12 2HE LYS 12 -5.442 4.899 6.885 111 HE3 LYS 12 3HE LYS 12 -6.339 4.076 5.625 112 HZ1 LYS 12 1HZ LYS 12 -4.262 3.658 4.933 113 HZ2 LYS 12 2HZ LYS 12 -4.409 5.106 4.194 114 HZ3 LYS 12 3HZ LYS 12 -3.605 4.990 5.610 115 H THR 13 H THR 13 -9.222 8.679 4.619 116 HA THR 13 HA THR 13 -7.702 9.379 2.287 117 HB THR 13 HB THR 13 -8.777 10.896 4.718 118 HG1 THR 13 1HG THR 13 -10.373 10.192 3.201 119 HG21 THR 13 1HG2 THR 13 -7.543 11.966 2.124 120 HG22 THR 13 2HG2 THR 13 -8.356 12.948 3.367 121 HG23 THR 13 3HG2 THR 13 -6.820 12.130 3.742 122 H CYS 14 H CYS 14 -5.602 10.256 2.178 123 HA CYS 14 HA CYS 14 -3.832 9.019 4.029 124 HB2 CYS 14 2HB CYS 14 -3.409 10.830 1.654 125 HB3 CYS 14 3HB CYS 14 -2.086 10.250 2.648 126 HA PRO 15 HA PRO 15 -4.261 12.314 6.983 127 HB2 PRO 15 2HB PRO 15 -1.717 11.042 7.959 128 HB3 PRO 15 3HB PRO 15 -3.093 11.537 8.879 129 HG2 PRO 15 2HG PRO 15 -2.811 8.928 8.300 130 HG3 PRO 15 3HG PRO 15 -4.408 9.653 8.136 131 HD2 PRO 15 2HD PRO 15 -2.450 8.987 5.933 132 HD3 PRO 15 3HD PRO 15 -4.173 8.782 5.955 133 H ALA 16 H ALA 16 -2.634 13.881 8.297 134 HA ALA 16 HA ALA 16 -1.696 15.678 6.343 135 HB1 ALA 16 1HB ALA 16 -0.941 15.734 9.273 136 HB2 ALA 16 2HB ALA 16 -1.266 17.096 8.174 137 HB3 ALA 16 3HB ALA 16 -2.606 16.074 8.747 138 H GLY 17 H GLY 17 0.220 15.734 5.278 139 HA2 GLY 17 1HA GLY 17 2.571 15.706 5.277 140 HA3 GLY 17 2HA GLY 17 2.568 14.533 6.579 141 H LYS 18 H LYS 18 0.336 12.926 5.282 142 HA LYS 18 HA LYS 18 2.080 11.380 3.580 143 HB2 LYS 18 2HB LYS 18 -0.761 10.838 4.492 144 HB3 LYS 18 3HB LYS 18 0.309 9.699 3.701 145 HG2 LYS 18 2HG LYS 18 1.327 11.053 6.193 146 HG3 LYS 18 3HG LYS 18 0.090 9.829 6.390 147 HD2 LYS 18 2HD LYS 18 1.452 8.106 5.516 148 HD3 LYS 18 3HD LYS 18 2.476 9.219 4.632 149 HE2 LYS 18 2HE LYS 18 3.905 8.761 6.401 150 HE3 LYS 18 3HE LYS 18 3.049 10.121 7.100 151 HZ1 LYS 18 1HZ LYS 18 2.361 8.773 8.675 152 HZ2 LYS 18 2HZ LYS 18 1.554 7.850 7.596 153 HZ3 LYS 18 3HZ LYS 18 3.099 7.489 7.985 154 H ASN 19 H ASN 19 2.352 12.154 1.539 155 HA ASN 19 HA ASN 19 -0.086 13.016 0.195 156 HB2 ASN 19 2HB ASN 19 1.320 14.427 -1.227 157 HB3 ASN 19 3HB ASN 19 1.757 14.748 0.439 158 HD21 ASN 19 1HD2 ASN 19 3.322 15.171 -1.927 159 HD22 ASN 19 2HD2 ASN 19 4.774 14.233 -1.795 160 H LEU 20 H LEU 20 1.636 10.317 0.626 161 HA LEU 20 HA LEU 20 1.310 9.467 -2.139 162 HB2 LEU 20 2HB LEU 20 3.870 9.381 -0.573 163 HB3 LEU 20 3HB LEU 20 3.534 8.191 -1.814 164 HG LEU 20 HG LEU 20 3.402 11.148 -2.397 165 HD11 LEU 20 1HD1 LEU 20 5.589 10.960 -1.559 166 HD12 LEU 20 2HD1 LEU 20 5.837 9.368 -2.315 167 HD13 LEU 20 3HD1 LEU 20 5.756 10.831 -3.326 168 HD21 LEU 20 1HD2 LEU 20 3.077 10.569 -4.531 169 HD22 LEU 20 2HD2 LEU 20 4.313 9.290 -4.472 170 HD23 LEU 20 3HD2 LEU 20 2.663 8.961 -3.889 171 H CYS 21 H CYS 21 1.225 7.057 -2.315 172 HA CYS 21 HA CYS 21 0.285 5.938 0.226 173 HB2 CYS 21 2HB CYS 21 -0.780 5.719 -2.561 174 HB3 CYS 21 3HB CYS 21 -0.993 4.369 -1.462 175 H TYR 22 H TYR 22 0.701 3.557 0.458 176 HA TYR 22 HA TYR 22 2.778 2.535 -1.323 177 HB2 TYR 22 2HB TYR 22 4.310 2.332 0.485 178 HB3 TYR 22 3HB TYR 22 3.480 3.798 0.971 179 HD1 TYR 22 1HD TYR 22 2.468 3.922 3.080 180 HD2 TYR 22 2HD TYR 22 3.349 0.082 1.412 181 HE1 TYR 22 1HE TYR 22 1.806 2.810 5.269 182 HE2 TYR 22 2HE TYR 22 2.684 -1.017 3.607 183 HH TYR 22 HH TYR 22 1.788 -0.722 5.565 184 H LYS 23 H LYS 23 3.143 0.162 -1.007 185 HA LYS 23 HA LYS 23 1.022 -1.184 0.445 186 HB2 LYS 23 2HB LYS 23 0.248 -2.448 -1.450 187 HB3 LYS 23 3HB LYS 23 0.078 -0.741 -1.799 188 HG2 LYS 23 2HG LYS 23 2.338 -0.854 -3.001 189 HG3 LYS 23 3HG LYS 23 2.289 -2.593 -2.798 190 HD2 LYS 23 2HD LYS 23 1.328 -2.371 -4.920 191 HD3 LYS 23 3HD LYS 23 -0.105 -2.403 -3.912 192 HE2 LYS 23 2HE LYS 23 -0.320 0.020 -3.985 193 HE3 LYS 23 3HE LYS 23 1.266 0.202 -4.713 194 HZ1 LYS 23 1HZ LYS 23 -1.030 -1.138 -5.968 195 HZ2 LYS 23 2HZ LYS 23 -0.472 0.350 -6.343 196 HZ3 LYS 23 3HZ LYS 23 0.447 -0.965 -6.646 197 H MET 24 H MET 24 1.727 -3.085 1.349 198 HA MET 24 HA MET 24 4.478 -3.762 0.702 199 HB2 MET 24 2HB MET 24 2.799 -3.697 3.142 200 HB3 MET 24 3HB MET 24 3.641 -5.226 2.983 201 HG2 MET 24 2HG MET 24 5.813 -4.076 2.801 202 HG3 MET 24 3HG MET 24 5.027 -2.511 2.765 203 HE1 MET 24 1HE MET 24 6.909 -4.615 5.718 204 HE2 MET 24 2HE MET 24 5.425 -5.556 6.003 205 HE3 MET 24 3HE MET 24 6.124 -5.468 4.368 206 H PHE 25 H PHE 25 4.727 -5.428 -0.722 207 HA PHE 25 HA PHE 25 2.642 -7.480 -0.748 208 HB2 PHE 25 2HB PHE 25 4.798 -6.441 -2.661 209 HB3 PHE 25 3HB PHE 25 4.037 -7.990 -2.962 210 HD1 PHE 25 1HD PHE 25 1.900 -5.545 -1.416 211 HD2 PHE 25 2HD PHE 25 3.357 -6.943 -5.148 212 HE1 PHE 25 1HE PHE 25 0.008 -4.386 -2.590 213 HE2 PHE 25 2HE PHE 25 1.465 -5.784 -6.322 214 HZ PHE 25 HZ PHE 25 -0.188 -4.520 -5.028 215 H MET 26 H MET 26 3.177 -9.718 -0.648 216 HA MET 26 HA MET 26 5.833 -10.159 0.471 217 HB2 MET 26 2HB MET 26 3.293 -11.864 0.717 218 HB3 MET 26 3HB MET 26 4.789 -12.130 1.592 219 HG2 MET 26 2HG MET 26 3.433 -9.434 1.831 220 HG3 MET 26 3HG MET 26 2.766 -10.789 2.717 221 HE1 MET 26 1HE MET 26 3.650 -11.204 5.239 222 HE2 MET 26 2HE MET 26 4.178 -12.412 4.044 223 HE3 MET 26 3HE MET 26 5.329 -11.792 5.252 224 H VAL 27 H VAL 27 7.183 -11.784 -0.371 225 HA VAL 27 HA VAL 27 7.053 -12.379 -3.017 226 HB VAL 27 HB VAL 27 8.853 -12.724 -1.121 227 HG11 VAL 27 1HG1 VAL 27 7.674 -15.505 -1.437 228 HG12 VAL 27 2HG1 VAL 27 9.238 -15.137 -0.671 229 HG13 VAL 27 3HG1 VAL 27 7.728 -14.531 0.052 230 HG21 VAL 27 1HG2 VAL 27 10.236 -13.850 -2.695 231 HG22 VAL 27 2HG2 VAL 27 8.838 -14.616 -3.487 232 HG23 VAL 27 3HG2 VAL 27 9.100 -12.862 -3.646 233 H SER 28 H SER 28 5.596 -14.158 -0.252 234 HA SER 28 HA SER 28 4.917 -16.466 -1.413 235 HB2 SER 28 2HB SER 28 4.410 -15.799 0.942 236 HB3 SER 28 3HB SER 28 3.115 -14.767 0.370 237 HG SER 28 HG SER 28 1.827 -16.468 0.269 238 H ASN 29 H ASN 29 3.434 -13.242 -1.921 239 HA ASN 29 HA ASN 29 2.413 -14.050 -4.395 240 HB2 ASN 29 2HB ASN 29 0.696 -14.996 -2.649 241 HB3 ASN 29 3HB ASN 29 0.251 -13.325 -2.364 242 HD21 ASN 29 1HD2 ASN 29 -0.972 -15.811 -3.702 243 HD22 ASN 29 2HD2 ASN 29 -1.640 -15.224 -5.189 244 H LYS 30 H LYS 30 3.535 -12.104 -5.047 245 HA LYS 30 HA LYS 30 3.181 -9.649 -3.699 246 HB2 LYS 30 2HB LYS 30 4.215 -10.226 -6.491 247 HB3 LYS 30 3HB LYS 30 4.385 -8.708 -5.633 248 HG2 LYS 30 2HG LYS 30 5.443 -10.259 -3.728 249 HG3 LYS 30 3HG LYS 30 5.704 -11.367 -5.059 250 HD2 LYS 30 2HD LYS 30 6.487 -8.587 -5.711 251 HD3 LYS 30 3HD LYS 30 7.377 -9.242 -4.351 252 HE2 LYS 30 2HE LYS 30 7.110 -11.177 -6.575 253 HE3 LYS 30 3HE LYS 30 7.942 -9.710 -7.053 254 HZ1 LYS 30 1HZ LYS 30 9.141 -11.702 -5.852 255 HZ2 LYS 30 2HZ LYS 30 9.644 -10.156 -5.689 256 HZ3 LYS 30 3HZ LYS 30 8.729 -10.845 -4.524 257 H THR 31 H THR 31 1.570 -11.276 -6.455 258 HA THR 31 HA THR 31 0.126 -9.075 -7.386 259 HB THR 31 HB THR 31 -1.001 -11.884 -7.408 260 HG1 THR 31 1HG THR 31 1.378 -10.850 -8.787 261 HG21 THR 31 1HG2 THR 31 -0.633 -9.576 -9.354 262 HG22 THR 31 2HG2 THR 31 -0.836 -11.233 -9.968 263 HG23 THR 31 3HG2 THR 31 -2.115 -10.488 -8.979 264 H VAL 32 H VAL 32 -0.059 -10.706 -4.361 265 HA VAL 32 HA VAL 32 -2.665 -9.426 -3.915 266 HB VAL 32 HB VAL 32 -1.647 -12.127 -3.047 267 HG11 VAL 32 1HG1 VAL 32 -2.586 -10.839 -1.095 268 HG12 VAL 32 2HG1 VAL 32 -4.134 -10.763 -1.971 269 HG13 VAL 32 3HG1 VAL 32 -3.458 -12.338 -1.493 270 HG21 VAL 32 1HG2 VAL 32 -4.151 -12.573 -3.847 271 HG22 VAL 32 2HG2 VAL 32 -3.847 -11.094 -4.789 272 HG23 VAL 32 3HG2 VAL 32 -2.791 -12.512 -4.993 273 HA PRO 33 HA PRO 33 -0.152 -7.221 -1.070 274 HB2 PRO 33 2HB PRO 33 -2.122 -5.630 -0.014 275 HB3 PRO 33 3HB PRO 33 -1.384 -5.344 -1.551 276 HG2 PRO 33 2HG PRO 33 -4.044 -6.703 -0.937 277 HG3 PRO 33 3HG PRO 33 -3.648 -5.568 -2.224 278 HD2 PRO 33 2HD PRO 33 -3.775 -8.264 -2.703 279 HD3 PRO 33 3HD PRO 33 -2.753 -7.197 -3.617 280 H VAL 34 H VAL 34 0.431 -6.913 1.130 281 HA VAL 34 HA VAL 34 -0.999 -8.736 2.940 282 HB VAL 34 HB VAL 34 1.485 -9.101 2.089 283 HG11 VAL 34 1HG1 VAL 34 2.002 -6.725 3.084 284 HG12 VAL 34 2HG1 VAL 34 2.111 -7.613 4.623 285 HG13 VAL 34 3HG1 VAL 34 3.177 -8.049 3.265 286 HG21 VAL 34 1HG2 VAL 34 1.831 -9.890 4.689 287 HG22 VAL 34 2HG2 VAL 34 0.062 -9.725 4.596 288 HG23 VAL 34 3HG2 VAL 34 0.917 -10.796 3.460 289 H LYS 35 H LYS 35 0.483 -5.534 2.400 290 HA LYS 35 HA LYS 35 -1.048 -4.553 4.660 291 HB2 LYS 35 2HB LYS 35 1.919 -4.722 4.595 292 HB3 LYS 35 3HB LYS 35 1.245 -3.200 5.140 293 HG2 LYS 35 2HG LYS 35 0.267 -5.867 6.239 294 HG3 LYS 35 3HG LYS 35 1.644 -5.033 6.935 295 HD2 LYS 35 2HD LYS 35 0.333 -3.188 7.655 296 HD3 LYS 35 3HD LYS 35 -0.958 -3.532 6.521 297 HE2 LYS 35 2HE LYS 35 -1.686 -5.468 7.796 298 HE3 LYS 35 3HE LYS 35 -0.246 -5.434 8.796 299 HZ1 LYS 35 1HZ LYS 35 -2.626 -4.074 9.192 300 HZ2 LYS 35 2HZ LYS 35 -1.297 -4.069 10.140 301 HZ3 LYS 35 3HZ LYS 35 -1.463 -2.951 8.963 302 H ARG 36 H ARG 36 -1.558 -2.304 4.483 303 HA ARG 36 HA ARG 36 -0.536 -0.982 2.143 304 HB2 ARG 36 2HB ARG 36 -2.702 -0.528 1.162 305 HB3 ARG 36 3HB ARG 36 -2.648 -2.255 1.459 306 HG2 ARG 36 2HG ARG 36 -3.924 -0.222 3.350 307 HG3 ARG 36 3HG ARG 36 -4.814 -1.179 2.183 308 HD2 ARG 36 2HD ARG 36 -4.982 -2.803 3.765 309 HD3 ARG 36 3HD ARG 36 -3.263 -3.087 3.567 310 HE ARG 36 HE ARG 36 -3.000 -2.214 5.706 311 HH11 ARG 36 1HH1 ARG 36 -4.764 0.223 7.473 312 HH12 ARG 36 2HH1 ARG 36 -3.442 -0.894 7.518 313 HH21 ARG 36 1HH2 ARG 36 -6.088 0.379 5.573 314 HH22 ARG 36 2HH2 ARG 36 -5.752 -0.621 4.200 315 H GLY 37 H GLY 37 -0.639 1.335 2.336 316 HA2 GLY 37 1HA GLY 37 -2.224 2.671 4.257 317 HA3 GLY 37 2HA GLY 37 -0.623 2.392 4.910 318 H CYS 38 H CYS 38 -0.912 4.941 4.772 319 HA CYS 38 HA CYS 38 -0.099 5.825 2.110 320 HB2 CYS 38 2HB CYS 38 -1.200 7.376 4.459 321 HB3 CYS 38 3HB CYS 38 -0.633 8.107 2.972 322 H ILE 39 H ILE 39 1.804 7.236 1.945 323 HA ILE 39 HA ILE 39 3.459 7.387 4.332 324 HB ILE 39 HB ILE 39 3.875 5.254 2.894 325 HG12 ILE 39 2HG1 ILE 39 6.233 6.993 3.658 326 HG13 ILE 39 3HG1 ILE 39 5.220 6.175 4.832 327 HG21 ILE 39 1HG2 ILE 39 5.361 7.344 1.279 328 HG22 ILE 39 2HG2 ILE 39 5.544 5.581 1.122 329 HG23 ILE 39 3HG2 ILE 39 3.990 6.354 0.727 330 HD11 ILE 39 1HD1 ILE 39 6.299 4.215 4.482 331 HD12 ILE 39 2HD1 ILE 39 5.984 4.306 2.732 332 HD13 ILE 39 3HD1 ILE 39 7.428 5.088 3.419 333 H ASP 40 H ASP 40 5.271 8.951 4.050 334 HA ASP 40 HA ASP 40 4.424 10.980 2.148 335 HB2 ASP 40 2HB ASP 40 5.654 12.570 3.612 336 HB3 ASP 40 3HB ASP 40 4.425 11.694 4.504 337 HD2 ASP 40 HD ASP 40 6.421 10.420 6.758 338 H ALA 41 H ALA 41 6.573 8.460 2.423 339 HA ALA 41 HA ALA 41 8.406 9.652 0.550 340 HB1 ALA 41 1HB ALA 41 9.760 10.320 2.283 341 HB2 ALA 41 2HB ALA 41 9.111 9.100 3.404 342 HB3 ALA 41 3HB ALA 41 10.299 8.629 2.165 343 H CYS 42 H CYS 42 8.611 8.153 -1.030 344 HA CYS 42 HA CYS 42 7.583 5.593 -0.764 345 HB2 CYS 42 2HB CYS 42 7.997 6.964 -2.871 346 HB3 CYS 42 3HB CYS 42 9.661 6.419 -2.790 347 HA PRO 43 HA PRO 43 11.013 4.060 1.629 348 HB2 PRO 43 2HB PRO 43 9.965 1.578 2.144 349 HB3 PRO 43 3HB PRO 43 9.518 3.003 3.012 350 HG2 PRO 43 2HG PRO 43 8.059 1.636 0.713 351 HG3 PRO 43 3HG PRO 43 7.395 2.369 2.171 352 HD2 PRO 43 2HD PRO 43 7.370 3.698 -0.226 353 HD3 PRO 43 3HD PRO 43 7.421 4.522 1.301 354 H LYS 44 H LYS 44 12.256 1.784 1.866 355 HA LYS 44 HA LYS 44 13.443 1.414 -0.738 356 HB2 LYS 44 2HB LYS 44 14.783 1.773 1.344 357 HB3 LYS 44 3HB LYS 44 14.219 0.225 1.941 358 HG2 LYS 44 2HG LYS 44 15.845 -0.823 0.764 359 HG3 LYS 44 3HG LYS 44 15.150 -0.230 -0.730 360 HD2 LYS 44 2HD LYS 44 16.692 1.832 0.742 361 HD3 LYS 44 3HD LYS 44 17.662 0.452 0.268 362 HE2 LYS 44 2HE LYS 44 16.081 0.998 -2.012 363 HE3 LYS 44 3HE LYS 44 16.520 2.583 -1.405 364 HZ1 LYS 44 1HZ LYS 44 18.664 2.230 -1.862 365 HZ2 LYS 44 2HZ LYS 44 18.646 0.650 -1.451 366 HZ3 LYS 44 3HZ LYS 44 18.098 1.118 -2.916 367 H ASN 45 H ASN 45 13.402 -0.462 -1.977 368 HA ASN 45 HA ASN 45 11.213 -2.187 -1.360 369 HB2 ASN 45 2HB ASN 45 11.588 -3.100 -3.606 370 HB3 ASN 45 3HB ASN 45 11.717 -1.355 -3.702 371 HD21 ASN 45 1HD2 ASN 45 12.789 -2.947 -5.630 372 HD22 ASN 45 2HD2 ASN 45 14.520 -2.891 -5.600 373 H SER 46 H SER 46 11.466 -4.587 -1.234 374 HA SER 46 HA SER 46 14.188 -5.356 -0.523 375 HB2 SER 46 2HB SER 46 11.586 -6.267 0.786 376 HB3 SER 46 3HB SER 46 13.168 -6.926 1.156 377 HG SER 46 HG SER 46 13.842 -4.821 1.889 378 H LEU 47 H LEU 47 14.199 -7.999 -0.438 379 HA LEU 47 HA LEU 47 13.226 -8.769 -3.072 380 HB2 LEU 47 2HB LEU 47 14.901 -10.333 -3.126 381 HB3 LEU 47 3HB LEU 47 15.641 -9.003 -2.260 382 HG LEU 47 HG LEU 47 16.270 -11.076 -1.221 383 HD11 LEU 47 1HD1 LEU 47 15.786 -10.590 1.032 384 HD12 LEU 47 2HD1 LEU 47 15.728 -9.026 0.185 385 HD13 LEU 47 3HD1 LEU 47 14.217 -9.857 0.626 386 HD21 LEU 47 1HD2 LEU 47 14.914 -12.824 -0.706 387 HD22 LEU 47 2HD2 LEU 47 13.509 -11.786 -0.364 388 HD23 LEU 47 3HD2 LEU 47 13.966 -12.137 -2.048 389 H LEU 48 H LEU 48 12.472 -9.069 0.302 390 HA LEU 48 HA LEU 48 10.861 -11.454 -0.242 391 HB2 LEU 48 2HB LEU 48 12.553 -10.765 1.868 392 HB3 LEU 48 3HB LEU 48 10.937 -10.557 2.515 393 HG LEU 48 HG LEU 48 11.747 -12.780 3.002 394 HD11 LEU 48 1HD1 LEU 48 9.854 -13.992 2.417 395 HD12 LEU 48 2HD1 LEU 48 9.303 -12.303 2.301 396 HD13 LEU 48 3HD1 LEU 48 9.715 -13.209 0.824 397 HD21 LEU 48 1HD2 LEU 48 12.260 -14.410 1.236 398 HD22 LEU 48 2HD2 LEU 48 12.071 -13.134 0.009 399 HD23 LEU 48 3HD2 LEU 48 13.378 -13.025 1.213 400 H VAL 49 H VAL 49 10.789 -8.006 0.635 401 HA VAL 49 HA VAL 49 7.862 -8.153 0.436 402 HB VAL 49 HB VAL 49 9.506 -6.389 2.263 403 HG11 VAL 49 1HG1 VAL 49 6.583 -6.634 2.655 404 HG12 VAL 49 2HG1 VAL 49 7.645 -5.211 2.772 405 HG13 VAL 49 3HG1 VAL 49 7.082 -5.773 1.180 406 HG21 VAL 49 1HG2 VAL 49 8.205 -9.030 2.632 407 HG22 VAL 49 2HG2 VAL 49 9.575 -8.289 3.495 408 HG23 VAL 49 3HG2 VAL 49 7.906 -7.830 3.914 409 H LYS 50 H LYS 50 7.176 -7.124 -1.363 410 HA LYS 50 HA LYS 50 8.968 -5.163 -2.554 411 HB2 LYS 50 2HB LYS 50 8.218 -6.934 -4.011 412 HB3 LYS 50 3HB LYS 50 6.539 -6.637 -3.605 413 HG2 LYS 50 2HG LYS 50 6.666 -5.428 -5.585 414 HG3 LYS 50 3HG LYS 50 7.094 -4.162 -4.452 415 HD2 LYS 50 2HD LYS 50 9.433 -4.353 -4.933 416 HD3 LYS 50 3HD LYS 50 9.243 -5.924 -5.683 417 HE2 LYS 50 2HE LYS 50 7.544 -4.120 -7.128 418 HE3 LYS 50 3HE LYS 50 9.077 -3.296 -6.910 419 HZ1 LYS 50 1HZ LYS 50 10.067 -4.707 -8.281 420 HZ2 LYS 50 2HZ LYS 50 9.368 -6.034 -7.635 421 HZ3 LYS 50 3HZ LYS 50 8.575 -5.161 -8.764 422 H TYR 51 H TYR 51 8.666 -3.017 -2.304 423 HA TYR 51 HA TYR 51 6.071 -2.178 -1.215 424 HB2 TYR 51 2HB TYR 51 8.857 -0.863 -1.330 425 HB3 TYR 51 3HB TYR 51 7.486 -0.212 -0.455 426 HD1 TYR 51 1HD TYR 51 7.243 -0.693 1.815 427 HD2 TYR 51 2HD TYR 51 9.616 -3.292 -0.618 428 HE1 TYR 51 1HE TYR 51 7.950 -1.994 3.882 429 HE2 TYR 51 2HE TYR 51 10.316 -4.584 1.458 430 HH TYR 51 HH TYR 51 8.738 -4.460 4.273 431 H VAL 52 H VAL 52 4.698 -1.236 -2.635 432 HA VAL 52 HA VAL 52 5.922 0.225 -4.874 433 HB VAL 52 HB VAL 52 3.285 -1.250 -4.727 434 HG11 VAL 52 1HG1 VAL 52 4.289 0.799 -6.550 435 HG12 VAL 52 2HG1 VAL 52 3.865 -0.709 -7.395 436 HG13 VAL 52 3HG1 VAL 52 2.654 0.116 -6.384 437 HG21 VAL 52 1HG2 VAL 52 4.252 -2.857 -6.241 438 HG22 VAL 52 2HG2 VAL 52 5.754 -1.909 -6.365 439 HG23 VAL 52 3HG2 VAL 52 5.325 -2.698 -4.830 440 H CYS 53 H CYS 53 5.341 2.353 -5.177 441 HA CYS 53 HA CYS 53 3.457 3.391 -3.192 442 HB2 CYS 53 2HB CYS 53 5.552 4.977 -4.672 443 HB3 CYS 53 3HB CYS 53 4.602 5.480 -3.289 444 H CYS 54 H CYS 54 2.059 5.232 -3.988 445 HA CYS 54 HA CYS 54 1.854 5.580 -6.814 446 HB2 CYS 54 2HB CYS 54 -0.679 4.900 -6.639 447 HB3 CYS 54 3HB CYS 54 0.563 3.744 -7.079 448 H ASN 55 H ASN 55 0.299 7.361 -7.292 449 HA ASN 55 HA ASN 55 -0.467 8.781 -4.866 450 HB2 ASN 55 2HB ASN 55 0.091 10.920 -6.052 451 HB3 ASN 55 3HB ASN 55 1.505 9.900 -5.869 452 HD21 ASN 55 1HD2 ASN 55 -0.047 11.855 -7.928 453 HD22 ASN 55 2HD2 ASN 55 0.441 11.222 -9.465 454 H THR 56 H THR 56 -2.100 6.958 -6.438 455 HA THR 56 HA THR 56 -3.919 8.858 -7.769 456 HB THR 56 HB THR 56 -4.582 6.580 -8.979 457 HG1 THR 56 1HG THR 56 -3.204 5.011 -8.245 458 HG21 THR 56 1HG2 THR 56 -2.238 8.401 -9.462 459 HG22 THR 56 2HG2 THR 56 -2.234 6.853 -10.339 460 HG23 THR 56 3HG2 THR 56 -3.588 7.988 -10.546 461 H ASP 57 H ASP 57 -6.256 7.946 -7.819 462 HA ASP 57 HA ASP 57 -6.975 7.683 -5.117 463 HB2 ASP 57 2HB ASP 57 -8.297 8.026 -7.733 464 HB3 ASP 57 3HB ASP 57 -9.226 6.994 -6.662 465 HD2 ASP 57 HD ASP 57 -9.170 8.197 -4.292 466 H ARG 58 H ARG 58 -7.724 5.795 -4.005 467 HA ARG 58 HA ARG 58 -7.666 3.673 -3.518 468 HB2 ARG 58 2HB ARG 58 -9.504 4.019 -5.811 469 HB3 ARG 58 3HB ARG 58 -8.948 2.366 -5.657 470 HG2 ARG 58 2HG ARG 58 -10.258 2.013 -3.835 471 HG3 ARG 58 3HG ARG 58 -9.610 3.424 -3.021 472 HD2 ARG 58 2HD ARG 58 -11.896 3.978 -3.250 473 HD3 ARG 58 3HD ARG 58 -11.173 4.808 -4.612 474 HE ARG 58 HE ARG 58 -11.790 2.381 -5.720 475 HH11 ARG 58 1HH1 ARG 58 -15.251 2.542 -6.139 476 HH12 ARG 58 2HH1 ARG 58 -13.784 1.781 -6.660 477 HH21 ARG 58 1HH2 ARG 58 -15.188 4.169 -4.485 478 HH22 ARG 58 2HH2 ARG 58 -13.676 4.623 -3.773 479 H CYS 59 H CYS 59 -5.354 4.659 -5.165 480 HA CYS 59 HA CYS 59 -4.596 3.034 -7.190 481 HB2 CYS 59 2HB CYS 59 -2.400 3.719 -6.818 482 HB3 CYS 59 3HB CYS 59 -3.396 5.043 -6.246 483 H ASN 60 H ASN 60 -4.176 2.524 -3.618 484 HA ASN 60 HA ASN 60 -3.481 -0.232 -4.225 485 HB2 ASN 60 2HB ASN 60 -2.595 -0.300 -1.890 486 HB3 ASN 60 3HB ASN 60 -1.852 0.998 -2.805 487 HD21 ASN 60 1HD2 ASN 60 -4.517 0.249 -0.593 488 HD22 ASN 60 2HD2 ASN 60 -4.575 1.777 0.220 Start of MODEL 19 1 H1 LEU 1 H LEU 1 -4.506 13.328 -0.429 2 HA LEU 1 HA LEU 1 -5.677 11.774 -2.578 3 HB2 LEU 1 2HB LEU 1 -3.178 12.405 -2.215 4 HB3 LEU 1 3HB LEU 1 -3.179 11.072 -1.074 5 HG LEU 1 HG LEU 1 -4.261 9.788 -3.162 6 HD11 LEU 1 1HD1 LEU 1 -2.620 12.007 -4.411 7 HD12 LEU 1 2HD1 LEU 1 -3.089 10.506 -5.245 8 HD13 LEU 1 3HD1 LEU 1 -4.341 11.639 -4.681 9 HD21 LEU 1 1HD2 LEU 1 -2.091 8.858 -3.615 10 HD22 LEU 1 2HD2 LEU 1 -1.282 10.288 -2.929 11 HD23 LEU 1 3HD2 LEU 1 -2.215 9.200 -1.872 12 H LYS 2 H LYS 2 -6.502 9.673 -2.361 13 HA LYS 2 HA LYS 2 -6.838 8.794 0.422 14 HB2 LYS 2 2HB LYS 2 -8.864 9.061 -1.783 15 HB3 LYS 2 3HB LYS 2 -9.065 7.820 -0.563 16 HG2 LYS 2 2HG LYS 2 -9.894 9.370 0.864 17 HG3 LYS 2 3HG LYS 2 -8.350 10.200 0.848 18 HD2 LYS 2 2HD LYS 2 -9.044 11.778 -0.713 19 HD3 LYS 2 3HD LYS 2 -10.124 10.666 -1.527 20 HE2 LYS 2 2HE LYS 2 -11.539 10.771 0.697 21 HE3 LYS 2 3HE LYS 2 -10.609 12.216 1.039 22 HZ1 LYS 2 1HZ LYS 2 -12.732 11.889 -0.759 23 HZ2 LYS 2 2HZ LYS 2 -12.000 13.269 -0.281 24 HZ3 LYS 2 3HZ LYS 2 -11.423 12.441 -1.564 25 H CYS 3 H CYS 3 -6.748 6.525 0.790 26 HA CYS 3 HA CYS 3 -5.843 5.001 -1.540 27 HB2 CYS 3 2HB CYS 3 -4.723 4.402 1.160 28 HB3 CYS 3 3HB CYS 3 -4.060 4.065 -0.425 29 H ASN 4 H ASN 4 -6.474 2.729 -1.481 30 HA ASN 4 HA ASN 4 -8.943 2.347 -0.216 31 HB2 ASN 4 2HB ASN 4 -7.808 1.254 -2.403 32 HB3 ASN 4 3HB ASN 4 -7.295 0.027 -1.260 33 HD21 ASN 4 1HD2 ASN 4 -10.217 2.003 -1.797 34 HD22 ASN 4 2HD2 ASN 4 -11.366 0.708 -1.762 35 H LYS 5 H LYS 5 -9.312 0.196 1.143 36 HA LYS 5 HA LYS 5 -7.311 0.202 3.253 37 HB2 LYS 5 2HB LYS 5 -10.128 -0.918 3.151 38 HB3 LYS 5 3HB LYS 5 -9.071 -0.977 4.549 39 HG2 LYS 5 2HG LYS 5 -9.283 1.737 3.381 40 HG3 LYS 5 3HG LYS 5 -10.827 1.104 3.915 41 HD2 LYS 5 2HD LYS 5 -8.398 0.892 5.721 42 HD3 LYS 5 3HD LYS 5 -9.296 2.394 5.634 43 HE2 LYS 5 2HE LYS 5 -10.798 1.545 7.104 44 HE3 LYS 5 3HE LYS 5 -11.268 0.359 5.902 45 HZ1 LYS 5 1HZ LYS 5 -9.783 -1.171 6.758 46 HZ2 LYS 5 2HZ LYS 5 -8.903 -0.061 7.571 47 HZ3 LYS 5 3HZ LYS 5 -10.392 -0.471 8.102 48 H LEU 6 H LEU 6 -7.686 -2.352 4.339 49 HA LEU 6 HA LEU 6 -5.977 -3.846 2.666 50 HB2 LEU 6 2HB LEU 6 -6.389 -3.779 5.282 51 HB3 LEU 6 3HB LEU 6 -7.492 -5.091 4.913 52 HG LEU 6 HG LEU 6 -4.527 -5.023 4.290 53 HD11 LEU 6 1HD1 LEU 6 -4.255 -5.735 6.374 54 HD12 LEU 6 2HD1 LEU 6 -6.015 -5.804 6.636 55 HD13 LEU 6 3HD1 LEU 6 -5.163 -7.204 5.942 56 HD21 LEU 6 1HD2 LEU 6 -6.548 -7.226 3.792 57 HD22 LEU 6 2HD2 LEU 6 -5.738 -6.234 2.554 58 HD23 LEU 6 3HD2 LEU 6 -4.787 -7.349 3.565 59 H ILE 7 H ILE 7 -9.502 -3.937 3.394 60 HA ILE 7 HA ILE 7 -9.781 -6.126 1.488 61 HB ILE 7 HB ILE 7 -11.701 -4.876 3.454 62 HG12 ILE 7 2HG1 ILE 7 -10.098 -7.435 3.448 63 HG13 ILE 7 3HG1 ILE 7 -10.083 -6.148 4.637 64 HG21 ILE 7 1HG2 ILE 7 -12.543 -5.923 1.153 65 HG22 ILE 7 2HG2 ILE 7 -12.329 -7.437 2.066 66 HG23 ILE 7 3HG2 ILE 7 -13.410 -6.166 2.689 67 HD11 ILE 7 1HD1 ILE 7 -12.346 -6.685 5.365 68 HD12 ILE 7 2HD1 ILE 7 -12.545 -7.845 4.030 69 HD13 ILE 7 3HD1 ILE 7 -11.398 -8.191 5.346 70 HA PRO 8 HA PRO 8 -10.268 -3.068 -1.667 71 HB2 PRO 8 2HB PRO 8 -11.409 -5.507 -3.016 72 HB3 PRO 8 3HB PRO 8 -10.318 -4.332 -3.663 73 HG2 PRO 8 2HG PRO 8 -9.327 -6.683 -2.805 74 HG3 PRO 8 3HG PRO 8 -8.454 -5.206 -2.408 75 HD2 PRO 8 2HD PRO 8 -10.222 -6.845 -0.600 76 HD3 PRO 8 3HD PRO 8 -8.739 -6.024 -0.222 77 H LEU 9 H LEU 9 -11.983 -1.965 -0.249 78 HA LEU 9 HA LEU 9 -14.210 -1.455 -1.841 79 HB2 LEU 9 2HB LEU 9 -15.956 -2.593 -0.955 80 HB3 LEU 9 3HB LEU 9 -14.696 -3.805 -0.827 81 HG LEU 9 HG LEU 9 -14.482 -2.538 1.601 82 HD11 LEU 9 1HD1 LEU 9 -16.451 -1.786 2.436 83 HD12 LEU 9 2HD1 LEU 9 -16.744 -1.402 0.723 84 HD13 LEU 9 3HD1 LEU 9 -17.431 -2.883 1.433 85 HD21 LEU 9 1HD2 LEU 9 -15.192 -4.546 2.522 86 HD22 LEU 9 2HD2 LEU 9 -16.391 -4.834 1.238 87 HD23 LEU 9 3HD2 LEU 9 -14.655 -5.024 0.893 88 H ALA 10 H ALA 10 -12.654 -1.504 1.380 89 HA ALA 10 HA ALA 10 -13.981 1.000 2.053 90 HB1 ALA 10 1HB ALA 10 -12.109 -0.815 3.629 91 HB2 ALA 10 2HB ALA 10 -12.945 0.621 4.268 92 HB3 ALA 10 3HB ALA 10 -13.886 -0.794 3.738 93 H TYR 11 H TYR 11 -12.660 2.860 2.797 94 HA TYR 11 HA TYR 11 -9.908 2.844 1.844 95 HB2 TYR 11 2HB TYR 11 -10.452 4.963 0.553 96 HB3 TYR 11 3HB TYR 11 -11.347 3.590 -0.069 97 HD1 TYR 11 1HD TYR 11 -11.706 6.394 2.398 98 HD2 TYR 11 2HD TYR 11 -13.650 3.786 -0.382 99 HE1 TYR 11 1HE TYR 11 -13.886 7.662 2.721 100 HE2 TYR 11 2HE TYR 11 -15.823 5.062 -0.048 101 HH TYR 11 HH TYR 11 -16.280 7.663 0.728 102 H LYS 12 H LYS 12 -8.790 4.972 2.458 103 HA LYS 12 HA LYS 12 -10.078 6.420 4.592 104 HB2 LYS 12 2HB LYS 12 -9.303 4.571 5.888 105 HB3 LYS 12 3HB LYS 12 -7.736 4.576 5.103 106 HG2 LYS 12 2HG LYS 12 -7.639 7.093 6.009 107 HG3 LYS 12 3HG LYS 12 -8.837 6.510 7.148 108 HD2 LYS 12 2HD LYS 12 -6.540 6.275 8.064 109 HD3 LYS 12 3HD LYS 12 -7.318 4.714 7.898 110 HE2 LYS 12 2HE LYS 12 -5.786 3.989 6.367 111 HE3 LYS 12 3HE LYS 12 -5.883 5.472 5.440 112 HZ1 LYS 12 1HZ LYS 12 -4.177 6.360 6.564 113 HZ2 LYS 12 2HZ LYS 12 -4.556 5.662 7.990 114 HZ3 LYS 12 3HZ LYS 12 -3.776 4.802 6.842 115 H THR 13 H THR 13 -9.214 8.493 4.836 116 HA THR 13 HA THR 13 -7.664 9.424 2.650 117 HB THR 13 HB THR 13 -8.671 10.643 5.269 118 HG1 THR 13 1HG THR 13 -9.298 11.000 2.427 119 HG21 THR 13 1HG2 THR 13 -6.627 11.871 4.262 120 HG22 THR 13 2HG2 THR 13 -7.626 12.129 2.812 121 HG23 THR 13 3HG2 THR 13 -8.125 12.826 4.371 122 H CYS 14 H CYS 14 -5.556 10.270 2.572 123 HA CYS 14 HA CYS 14 -3.754 8.822 4.233 124 HB2 CYS 14 2HB CYS 14 -3.219 10.957 2.159 125 HB3 CYS 14 3HB CYS 14 -2.006 9.941 2.914 126 HA PRO 15 HA PRO 15 -4.029 11.801 7.520 127 HB2 PRO 15 2HB PRO 15 -1.456 10.425 8.248 128 HB3 PRO 15 3HB PRO 15 -2.783 10.835 9.275 129 HG2 PRO 15 2HG PRO 15 -2.555 8.294 8.424 130 HG3 PRO 15 3HG PRO 15 -4.149 9.042 8.411 131 HD2 PRO 15 2HD PRO 15 -2.308 8.584 6.062 132 HD3 PRO 15 3HD PRO 15 -4.032 8.402 6.144 133 H ALA 16 H ALA 16 -2.326 13.214 8.919 134 HA ALA 16 HA ALA 16 -1.524 15.250 7.191 135 HB1 ALA 16 1HB ALA 16 -0.222 15.049 9.858 136 HB2 ALA 16 2HB ALA 16 -1.147 16.386 9.133 137 HB3 ALA 16 3HB ALA 16 -2.001 15.004 9.859 138 H GLY 17 H GLY 17 0.159 15.298 5.796 139 HA2 GLY 17 1HA GLY 17 2.479 15.300 5.424 140 HA3 GLY 17 2HA GLY 17 2.686 14.057 6.643 141 H LYS 18 H LYS 18 0.292 12.487 5.627 142 HA LYS 18 HA LYS 18 1.749 10.974 3.689 143 HB2 LYS 18 2HB LYS 18 -1.064 10.603 4.761 144 HB3 LYS 18 3HB LYS 18 -0.146 9.429 3.840 145 HG2 LYS 18 2HG LYS 18 0.329 10.406 6.666 146 HG3 LYS 18 3HG LYS 18 0.212 8.758 6.083 147 HD2 LYS 18 2HD LYS 18 2.382 9.356 4.696 148 HD3 LYS 18 3HD LYS 18 2.538 10.689 5.823 149 HE2 LYS 18 2HE LYS 18 1.992 8.512 7.502 150 HE3 LYS 18 3HE LYS 18 3.002 7.801 6.259 151 HZ1 LYS 18 1HZ LYS 18 4.213 8.806 8.139 152 HZ2 LYS 18 2HZ LYS 18 4.666 9.396 6.686 153 HZ3 LYS 18 3HZ LYS 18 3.703 10.282 7.664 154 H ASN 19 H ASN 19 1.959 11.799 1.664 155 HA ASN 19 HA ASN 19 -0.502 12.826 0.483 156 HB2 ASN 19 2HB ASN 19 0.843 14.350 -0.863 157 HB3 ASN 19 3HB ASN 19 1.377 14.526 0.798 158 HD21 ASN 19 1HD2 ASN 19 3.279 13.401 1.496 159 HD22 ASN 19 2HD2 ASN 19 4.562 13.050 0.386 160 H LEU 20 H LEU 20 1.324 10.134 0.671 161 HA LEU 20 HA LEU 20 0.894 9.468 -2.140 162 HB2 LEU 20 2HB LEU 20 3.480 9.341 -0.636 163 HB3 LEU 20 3HB LEU 20 3.132 8.135 -1.860 164 HG LEU 20 HG LEU 20 3.090 11.120 -2.376 165 HD11 LEU 20 1HD1 LEU 20 5.317 10.964 -2.098 166 HD12 LEU 20 2HD1 LEU 20 5.329 9.192 -2.278 167 HD13 LEU 20 3HD1 LEU 20 5.268 10.233 -3.720 168 HD21 LEU 20 1HD2 LEU 20 2.344 8.780 -3.946 169 HD22 LEU 20 2HD2 LEU 20 2.030 10.508 -4.237 170 HD23 LEU 20 3HD2 LEU 20 3.571 9.783 -4.756 171 H CYS 21 H CYS 21 0.605 7.154 -2.503 172 HA CYS 21 HA CYS 21 -0.272 5.848 -0.035 173 HB2 CYS 21 2HB CYS 21 -1.197 5.433 -2.884 174 HB3 CYS 21 3HB CYS 21 -1.726 4.480 -1.511 175 H TYR 22 H TYR 22 0.449 3.687 0.365 176 HA TYR 22 HA TYR 22 2.351 2.603 -1.586 177 HB2 TYR 22 2HB TYR 22 4.008 2.490 0.115 178 HB3 TYR 22 3HB TYR 22 3.177 3.948 0.617 179 HD1 TYR 22 1HD TYR 22 3.232 0.253 1.186 180 HD2 TYR 22 2HD TYR 22 2.246 4.103 2.770 181 HE1 TYR 22 1HE TYR 22 2.745 -0.795 3.451 182 HE2 TYR 22 2HE TYR 22 1.764 3.044 5.029 183 HH TYR 22 HH TYR 22 2.833 0.239 5.968 184 H LYS 23 H LYS 23 2.826 0.246 -1.172 185 HA LYS 23 HA LYS 23 0.817 -1.096 0.433 186 HB2 LYS 23 2HB LYS 23 -0.140 -2.355 -1.308 187 HB3 LYS 23 3HB LYS 23 -0.154 -0.699 -1.877 188 HG2 LYS 23 2HG LYS 23 2.165 -1.281 -2.972 189 HG3 LYS 23 3HG LYS 23 1.705 -2.952 -2.711 190 HD2 LYS 23 2HD LYS 23 0.837 -2.608 -4.851 191 HD3 LYS 23 3HD LYS 23 -0.568 -2.227 -3.877 192 HE2 LYS 23 2HE LYS 23 0.091 0.218 -3.957 193 HE3 LYS 23 3HE LYS 23 1.418 -0.205 -5.022 194 HZ1 LYS 23 1HZ LYS 23 0.025 -0.291 -6.710 195 HZ2 LYS 23 2HZ LYS 23 -0.993 -1.317 -5.949 196 HZ3 LYS 23 3HZ LYS 23 -1.159 0.296 -5.749 197 H MET 24 H MET 24 1.608 -2.962 1.350 198 HA MET 24 HA MET 24 4.347 -3.581 0.593 199 HB2 MET 24 2HB MET 24 2.932 -3.277 3.094 200 HB3 MET 24 3HB MET 24 3.408 -4.961 2.986 201 HG2 MET 24 2HG MET 24 5.719 -3.671 2.130 202 HG3 MET 24 3HG MET 24 5.101 -2.539 3.316 203 HE1 MET 24 1HE MET 24 5.036 -3.210 6.115 204 HE2 MET 24 2HE MET 24 6.707 -3.800 6.273 205 HE3 MET 24 3HE MET 24 6.328 -2.503 5.115 206 H PHE 25 H PHE 25 4.714 -5.383 -0.621 207 HA PHE 25 HA PHE 25 2.631 -7.445 -0.573 208 HB2 PHE 25 2HB PHE 25 4.722 -6.433 -2.568 209 HB3 PHE 25 3HB PHE 25 4.021 -8.025 -2.782 210 HD1 PHE 25 1HD PHE 25 1.746 -5.697 -1.308 211 HD2 PHE 25 2HD PHE 25 3.329 -7.014 -5.019 212 HE1 PHE 25 1HE PHE 25 -0.209 -4.674 -2.506 213 HE2 PHE 25 2HE PHE 25 1.374 -5.992 -6.216 214 HZ PHE 25 HZ PHE 25 -0.371 -4.834 -4.945 215 H MET 26 H MET 26 3.227 -9.673 -0.412 216 HA MET 26 HA MET 26 5.887 -10.000 0.732 217 HB2 MET 26 2HB MET 26 3.338 -11.694 0.995 218 HB3 MET 26 3HB MET 26 4.855 -12.064 1.792 219 HG2 MET 26 2HG MET 26 4.026 -9.280 2.289 220 HG3 MET 26 3HG MET 26 2.794 -10.419 2.797 221 HE1 MET 26 1HE MET 26 6.176 -8.828 4.540 222 HE2 MET 26 2HE MET 26 7.137 -10.173 3.880 223 HE3 MET 26 3HE MET 26 6.149 -9.168 2.793 224 H VAL 27 H VAL 27 7.269 -11.689 0.016 225 HA VAL 27 HA VAL 27 7.185 -12.319 -2.656 226 HB VAL 27 HB VAL 27 9.007 -12.497 -0.752 227 HG11 VAL 27 1HG1 VAL 27 7.687 -14.487 0.241 228 HG12 VAL 27 2HG1 VAL 27 8.386 -15.431 -1.095 229 HG13 VAL 27 3HG1 VAL 27 9.454 -14.638 0.088 230 HG21 VAL 27 1HG2 VAL 27 9.060 -12.853 -3.378 231 HG22 VAL 27 2HG2 VAL 27 10.445 -13.302 -2.354 232 HG23 VAL 27 3HG2 VAL 27 9.307 -14.552 -2.910 233 H SER 28 H SER 28 5.710 -13.959 0.154 234 HA SER 28 HA SER 28 5.192 -16.384 -0.949 235 HB2 SER 28 2HB SER 28 4.674 -16.085 1.347 236 HB3 SER 28 3HB SER 28 3.697 -14.663 1.044 237 HG SER 28 HG SER 28 3.045 -17.427 0.580 238 H ASN 29 H ASN 29 3.590 -13.233 -1.484 239 HA ASN 29 HA ASN 29 2.480 -14.161 -3.882 240 HB2 ASN 29 2HB ASN 29 0.851 -15.050 -2.034 241 HB3 ASN 29 3HB ASN 29 0.410 -13.373 -1.780 242 HD21 ASN 29 1HD2 ASN 29 -1.368 -15.347 -2.602 243 HD22 ASN 29 2HD2 ASN 29 -1.935 -15.006 -4.202 244 H LYS 30 H LYS 30 3.576 -12.235 -4.649 245 HA LYS 30 HA LYS 30 3.212 -9.723 -3.403 246 HB2 LYS 30 2HB LYS 30 4.215 -10.401 -6.185 247 HB3 LYS 30 3HB LYS 30 4.390 -8.855 -5.377 248 HG2 LYS 30 2HG LYS 30 5.766 -9.855 -3.615 249 HG3 LYS 30 3HG LYS 30 5.458 -11.470 -4.219 250 HD2 LYS 30 2HD LYS 30 6.535 -9.704 -6.320 251 HD3 LYS 30 3HD LYS 30 7.609 -9.801 -4.939 252 HE2 LYS 30 2HE LYS 30 8.338 -11.798 -5.741 253 HE3 LYS 30 3HE LYS 30 6.772 -12.469 -5.333 254 HZ1 LYS 30 1HZ LYS 30 7.825 -12.081 -7.845 255 HZ2 LYS 30 2HZ LYS 30 6.341 -12.651 -7.467 256 HZ3 LYS 30 3HZ LYS 30 6.560 -11.053 -7.724 257 H THR 31 H THR 31 1.602 -11.496 -6.073 258 HA THR 31 HA THR 31 0.113 -9.366 -7.085 259 HB THR 31 HB THR 31 -0.952 -12.198 -6.955 260 HG1 THR 31 1HG THR 31 1.448 -11.105 -8.237 261 HG21 THR 31 1HG2 THR 31 -0.659 -11.468 -9.597 262 HG22 THR 31 2HG2 THR 31 -2.143 -11.177 -8.658 263 HG23 THR 31 3HG2 THR 31 -0.938 -9.879 -8.843 264 H VAL 32 H VAL 32 -0.018 -10.857 -3.985 265 HA VAL 32 HA VAL 32 -2.651 -9.616 -3.580 266 HB VAL 32 HB VAL 32 -1.525 -12.195 -2.488 267 HG11 VAL 32 1HG1 VAL 32 -3.885 -10.555 -1.533 268 HG12 VAL 32 2HG1 VAL 32 -3.738 -12.302 -1.222 269 HG13 VAL 32 3HG1 VAL 32 -2.511 -11.179 -0.587 270 HG21 VAL 32 1HG2 VAL 32 -3.764 -13.045 -3.377 271 HG22 VAL 32 2HG2 VAL 32 -3.902 -11.483 -4.221 272 HG23 VAL 32 3HG2 VAL 32 -2.546 -12.577 -4.588 273 HA PRO 33 HA PRO 33 -0.257 -7.145 -0.873 274 HB2 PRO 33 2HB PRO 33 -2.296 -5.671 0.208 275 HB3 PRO 33 3HB PRO 33 -1.658 -5.395 -1.373 276 HG2 PRO 33 2HG PRO 33 -4.171 -6.923 -0.573 277 HG3 PRO 33 3HG PRO 33 -3.922 -5.825 -1.927 278 HD2 PRO 33 2HD PRO 33 -3.857 -8.548 -2.264 279 HD3 PRO 33 3HD PRO 33 -2.985 -7.452 -3.290 280 H VAL 34 H VAL 34 0.417 -6.740 1.274 281 HA VAL 34 HA VAL 34 -0.812 -8.568 3.220 282 HB VAL 34 HB VAL 34 1.597 -8.922 2.289 283 HG11 VAL 34 1HG1 VAL 34 3.279 -7.556 2.939 284 HG12 VAL 34 2HG1 VAL 34 1.976 -6.355 3.110 285 HG13 VAL 34 3HG1 VAL 34 2.557 -7.249 4.536 286 HG21 VAL 34 1HG2 VAL 34 0.753 -9.026 5.190 287 HG22 VAL 34 2HG2 VAL 34 0.822 -10.346 3.996 288 HG23 VAL 34 3HG2 VAL 34 2.328 -9.651 4.643 289 H LYS 35 H LYS 35 0.445 -5.312 2.486 290 HA LYS 35 HA LYS 35 -1.042 -4.321 4.764 291 HB2 LYS 35 2HB LYS 35 1.952 -4.186 4.539 292 HB3 LYS 35 3HB LYS 35 1.082 -2.864 5.289 293 HG2 LYS 35 2HG LYS 35 -0.052 -4.531 6.820 294 HG3 LYS 35 3HG LYS 35 0.925 -5.802 6.113 295 HD2 LYS 35 2HD LYS 35 2.714 -3.672 6.850 296 HD3 LYS 35 3HD LYS 35 1.638 -3.934 8.208 297 HE2 LYS 35 2HE LYS 35 2.714 -6.412 6.917 298 HE3 LYS 35 3HE LYS 35 3.894 -5.422 7.752 299 HZ1 LYS 35 1HZ LYS 35 1.652 -6.877 8.830 300 HZ2 LYS 35 2HZ LYS 35 3.126 -6.605 9.477 301 HZ3 LYS 35 3HZ LYS 35 1.981 -5.442 9.538 302 H ARG 36 H ARG 36 -1.692 -2.128 4.506 303 HA ARG 36 HA ARG 36 -0.787 -0.843 2.094 304 HB2 ARG 36 2HB ARG 36 -3.566 -0.365 2.046 305 HB3 ARG 36 3HB ARG 36 -2.675 -1.388 0.937 306 HG2 ARG 36 2HG ARG 36 -4.475 -2.719 1.877 307 HG3 ARG 36 3HG ARG 36 -2.970 -3.320 2.544 308 HD2 ARG 36 2HD ARG 36 -4.041 -1.155 4.208 309 HD3 ARG 36 3HD ARG 36 -5.236 -2.418 3.995 310 HE ARG 36 HE ARG 36 -2.897 -3.815 4.564 311 HH11 ARG 36 1HH1 ARG 36 -2.805 -3.559 8.043 312 HH12 ARG 36 2HH1 ARG 36 -2.247 -4.444 6.662 313 HH21 ARG 36 1HH2 ARG 36 -4.212 -1.736 7.761 314 HH22 ARG 36 2HH2 ARG 36 -4.705 -1.258 6.170 315 H GLY 37 H GLY 37 -0.836 1.446 2.272 316 HA2 GLY 37 1HA GLY 37 -2.466 2.843 4.114 317 HA3 GLY 37 2HA GLY 37 -0.880 2.579 4.812 318 H CYS 38 H CYS 38 -1.149 5.122 4.596 319 HA CYS 38 HA CYS 38 -0.218 5.907 1.936 320 HB2 CYS 38 2HB CYS 38 -1.404 7.639 4.112 321 HB3 CYS 38 3HB CYS 38 -0.921 8.171 2.513 322 H ILE 39 H ILE 39 1.738 7.157 1.784 323 HA ILE 39 HA ILE 39 3.181 7.583 4.282 324 HB ILE 39 HB ILE 39 3.729 5.326 3.220 325 HG12 ILE 39 2HG1 ILE 39 5.966 7.311 3.732 326 HG13 ILE 39 3HG1 ILE 39 5.070 6.449 4.968 327 HG21 ILE 39 1HG2 ILE 39 5.047 7.167 1.210 328 HG22 ILE 39 2HG2 ILE 39 5.457 5.447 1.416 329 HG23 ILE 39 3HG2 ILE 39 3.818 5.917 0.904 330 HD11 ILE 39 1HD1 ILE 39 6.858 5.234 2.817 331 HD12 ILE 39 2HD1 ILE 39 7.121 5.222 4.577 332 HD13 ILE 39 3HD1 ILE 39 5.797 4.266 3.870 333 H ASP 40 H ASP 40 5.060 9.086 3.968 334 HA ASP 40 HA ASP 40 4.213 11.146 2.189 335 HB2 ASP 40 2HB ASP 40 5.063 11.569 4.523 336 HB3 ASP 40 3HB ASP 40 6.641 10.979 4.038 337 HD2 ASP 40 HD ASP 40 7.845 12.632 4.009 338 H ALA 41 H ALA 41 7.089 8.996 2.731 339 HA ALA 41 HA ALA 41 8.085 9.793 0.085 340 HB1 ALA 41 1HB ALA 41 10.023 8.307 1.564 341 HB2 ALA 41 2HB ALA 41 10.057 10.032 1.129 342 HB3 ALA 41 3HB ALA 41 9.325 9.517 2.668 343 H CYS 42 H CYS 42 8.997 8.049 -1.274 344 HA CYS 42 HA CYS 42 7.260 5.796 -1.225 345 HB2 CYS 42 2HB CYS 42 8.109 7.007 -3.276 346 HB3 CYS 42 3HB CYS 42 9.659 6.235 -3.008 347 HA PRO 43 HA PRO 43 9.732 3.466 1.591 348 HB2 PRO 43 2HB PRO 43 8.325 1.174 0.261 349 HB3 PRO 43 3HB PRO 43 8.510 1.493 1.949 350 HG2 PRO 43 2HG PRO 43 6.151 2.061 0.787 351 HG3 PRO 43 3HG PRO 43 6.831 3.230 1.916 352 HD2 PRO 43 2HD PRO 43 6.878 3.351 -1.112 353 HD3 PRO 43 3HD PRO 43 6.534 4.621 0.020 354 H LYS 44 H LYS 44 10.922 1.122 1.625 355 HA LYS 44 HA LYS 44 12.832 1.308 -0.592 356 HB2 LYS 44 2HB LYS 44 13.179 1.285 2.216 357 HB3 LYS 44 3HB LYS 44 13.756 -0.268 1.644 358 HG2 LYS 44 2HG LYS 44 15.035 1.057 -0.188 359 HG3 LYS 44 3HG LYS 44 14.661 2.497 0.739 360 HD2 LYS 44 2HD LYS 44 15.706 0.398 2.493 361 HD3 LYS 44 3HD LYS 44 16.815 0.697 1.170 362 HE2 LYS 44 2HE LYS 44 17.161 2.951 1.779 363 HE3 LYS 44 3HE LYS 44 15.627 3.072 2.618 364 HZ1 LYS 44 1HZ LYS 44 18.112 1.886 3.539 365 HZ2 LYS 44 2HZ LYS 44 17.080 2.873 4.331 366 HZ3 LYS 44 3HZ LYS 44 16.707 1.296 4.130 367 H ASN 45 H ASN 45 12.454 -0.144 -2.175 368 HA ASN 45 HA ASN 45 10.789 -2.307 -1.867 369 HB2 ASN 45 2HB ASN 45 11.768 -3.072 -4.065 370 HB3 ASN 45 3HB ASN 45 11.334 -1.374 -4.081 371 HD21 ASN 45 1HD2 ASN 45 13.051 -2.248 -5.924 372 HD22 ASN 45 2HD2 ASN 45 14.667 -1.696 -5.634 373 H SER 46 H SER 46 11.321 -4.653 -1.809 374 HA SER 46 HA SER 46 14.056 -5.214 -1.014 375 HB2 SER 46 2HB SER 46 11.720 -6.484 0.450 376 HB3 SER 46 3HB SER 46 13.408 -6.454 0.923 377 HG SER 46 HG SER 46 13.163 -4.509 1.817 378 H LEU 47 H LEU 47 14.221 -7.831 -0.810 379 HA LEU 47 HA LEU 47 13.296 -8.782 -3.369 380 HB2 LEU 47 2HB LEU 47 14.701 -10.754 -2.790 381 HB3 LEU 47 3HB LEU 47 15.548 -9.224 -2.885 382 HG LEU 47 HG LEU 47 14.613 -10.009 -0.179 383 HD11 LEU 47 1HD1 LEU 47 16.233 -11.806 -1.829 384 HD12 LEU 47 2HD1 LEU 47 17.015 -11.352 -0.296 385 HD13 LEU 47 3HD1 LEU 47 15.399 -12.097 -0.283 386 HD21 LEU 47 1HD2 LEU 47 15.979 -8.315 0.263 387 HD22 LEU 47 2HD2 LEU 47 17.341 -9.370 -0.186 388 HD23 LEU 47 3HD2 LEU 47 16.602 -8.302 -1.404 389 H LEU 48 H LEU 48 12.682 -9.302 0.119 390 HA LEU 48 HA LEU 48 10.852 -11.463 -0.495 391 HB2 LEU 48 2HB LEU 48 12.442 -11.516 1.429 392 HB3 LEU 48 3HB LEU 48 11.547 -10.197 2.158 393 HG LEU 48 HG LEU 48 9.746 -12.353 1.451 394 HD11 LEU 48 1HD1 LEU 48 12.293 -13.103 2.815 395 HD12 LEU 48 2HD1 LEU 48 10.773 -13.818 3.408 396 HD13 LEU 48 3HD1 LEU 48 11.259 -14.040 1.710 397 HD21 LEU 48 1HD2 LEU 48 9.897 -10.361 3.325 398 HD22 LEU 48 2HD2 LEU 48 8.746 -11.719 3.350 399 HD23 LEU 48 3HD2 LEU 48 10.253 -11.812 4.294 400 H VAL 49 H VAL 49 10.797 -8.126 0.917 401 HA VAL 49 HA VAL 49 7.895 -8.143 0.513 402 HB VAL 49 HB VAL 49 9.537 -6.145 2.065 403 HG11 VAL 49 1HG1 VAL 49 6.792 -6.318 1.355 404 HG12 VAL 49 2HG1 VAL 49 6.905 -6.647 3.100 405 HG13 VAL 49 3HG1 VAL 49 7.581 -5.142 2.433 406 HG21 VAL 49 1HG2 VAL 49 8.327 -8.750 3.048 407 HG22 VAL 49 2HG2 VAL 49 10.048 -8.295 3.039 408 HG23 VAL 49 3HG2 VAL 49 8.906 -7.442 4.106 409 H LYS 50 H LYS 50 7.112 -7.151 -1.266 410 HA LYS 50 HA LYS 50 8.903 -5.298 -2.644 411 HB2 LYS 50 2HB LYS 50 8.114 -7.221 -3.932 412 HB3 LYS 50 3HB LYS 50 6.447 -6.795 -3.604 413 HG2 LYS 50 2HG LYS 50 6.759 -5.819 -5.713 414 HG3 LYS 50 3HG LYS 50 7.086 -4.460 -4.658 415 HD2 LYS 50 2HD LYS 50 9.418 -4.569 -4.999 416 HD3 LYS 50 3HD LYS 50 9.382 -6.264 -5.441 417 HE2 LYS 50 2HE LYS 50 7.890 -4.341 -7.220 418 HE3 LYS 50 3HE LYS 50 9.642 -4.306 -7.285 419 HZ1 LYS 50 1HZ LYS 50 9.146 -5.917 -8.784 420 HZ2 LYS 50 2HZ LYS 50 9.345 -6.851 -7.459 421 HZ3 LYS 50 3HZ LYS 50 7.842 -6.477 -7.976 422 H TYR 51 H TYR 51 8.605 -3.155 -2.389 423 HA TYR 51 HA TYR 51 6.009 -2.289 -1.346 424 HB2 TYR 51 2HB TYR 51 8.798 -1.005 -1.610 425 HB3 TYR 51 3HB TYR 51 7.439 -0.218 -0.834 426 HD1 TYR 51 1HD TYR 51 9.590 -3.269 -0.601 427 HD2 TYR 51 2HD TYR 51 7.054 -0.510 1.464 428 HE1 TYR 51 1HE TYR 51 10.232 -4.329 1.619 429 HE2 TYR 51 2HE TYR 51 7.705 -1.579 3.677 430 HH TYR 51 HH TYR 51 9.253 -2.893 4.652 431 H VAL 52 H VAL 52 4.643 -1.010 -2.526 432 HA VAL 52 HA VAL 52 5.743 0.196 -4.960 433 HB VAL 52 HB VAL 52 3.126 -1.305 -4.732 434 HG11 VAL 52 1HG1 VAL 52 2.942 -0.949 -7.149 435 HG12 VAL 52 2HG1 VAL 52 3.030 0.604 -6.283 436 HG13 VAL 52 3HG1 VAL 52 4.460 -0.020 -7.141 437 HG21 VAL 52 1HG2 VAL 52 4.076 -3.065 -5.982 438 HG22 VAL 52 2HG2 VAL 52 5.511 -2.105 -6.410 439 HG23 VAL 52 3HG2 VAL 52 5.291 -2.680 -4.740 440 H CYS 53 H CYS 53 5.416 2.356 -4.949 441 HA CYS 53 HA CYS 53 3.271 3.331 -3.214 442 HB2 CYS 53 2HB CYS 53 4.477 5.356 -2.963 443 HB3 CYS 53 3HB CYS 53 5.574 4.029 -2.635 444 H CYS 54 H CYS 54 1.972 5.168 -4.067 445 HA CYS 54 HA CYS 54 2.223 5.701 -6.887 446 HB2 CYS 54 2HB CYS 54 -0.384 5.213 -6.988 447 HB3 CYS 54 3HB CYS 54 0.827 4.022 -7.419 448 H ASN 55 H ASN 55 0.772 7.567 -7.490 449 HA ASN 55 HA ASN 55 0.046 9.060 -5.092 450 HB2 ASN 55 2HB ASN 55 0.560 11.130 -6.435 451 HB3 ASN 55 3HB ASN 55 1.969 10.108 -6.226 452 HD21 ASN 55 1HD2 ASN 55 2.366 11.696 -8.139 453 HD22 ASN 55 2HD2 ASN 55 2.108 11.043 -9.722 454 H THR 56 H THR 56 -1.679 7.188 -6.549 455 HA THR 56 HA THR 56 -3.545 9.072 -7.838 456 HB THR 56 HB THR 56 -4.291 6.701 -8.872 457 HG1 THR 56 1HG THR 56 -2.564 5.244 -8.737 458 HG21 THR 56 1HG2 THR 56 -3.525 7.984 -10.634 459 HG22 THR 56 2HG2 THR 56 -2.191 8.665 -9.671 460 HG23 THR 56 3HG2 THR 56 -2.022 7.057 -10.415 461 H ASP 57 H ASP 57 -5.890 8.328 -7.682 462 HA ASP 57 HA ASP 57 -6.403 8.004 -4.920 463 HB2 ASP 57 2HB ASP 57 -8.573 8.649 -5.451 464 HB3 ASP 57 3HB ASP 57 -7.722 9.302 -6.837 465 HD2 ASP 57 HD ASP 57 -10.525 6.609 -7.392 466 H ARG 58 H ARG 58 -7.280 6.129 -3.874 467 HA ARG 58 HA ARG 58 -7.379 3.975 -3.540 468 HB2 ARG 58 2HB ARG 58 -9.367 4.639 -5.669 469 HB3 ARG 58 3HB ARG 58 -9.044 2.926 -5.494 470 HG2 ARG 58 2HG ARG 58 -10.217 2.818 -3.550 471 HG3 ARG 58 3HG ARG 58 -9.325 4.159 -2.860 472 HD2 ARG 58 2HD ARG 58 -11.460 5.098 -2.938 473 HD3 ARG 58 3HD ARG 58 -10.847 5.625 -4.493 474 HE ARG 58 HE ARG 58 -12.000 3.081 -4.925 475 HH11 ARG 58 1HH1 ARG 58 -15.279 4.098 -5.549 476 HH12 ARG 58 2HH1 ARG 58 -14.122 2.821 -5.730 477 HH21 ARG 58 1HH2 ARG 58 -14.673 6.072 -4.489 478 HH22 ARG 58 2HH2 ARG 58 -13.063 6.267 -3.878 479 H CYS 59 H CYS 59 -5.033 4.625 -5.043 480 HA CYS 59 HA CYS 59 -4.762 3.082 -7.354 481 HB2 CYS 59 2HB CYS 59 -2.435 3.514 -7.201 482 HB3 CYS 59 3HB CYS 59 -3.291 4.964 -6.716 483 H ASN 60 H ASN 60 -3.923 2.520 -3.866 484 HA ASN 60 HA ASN 60 -3.461 -0.265 -4.546 485 HB2 ASN 60 2HB ASN 60 -2.239 -0.424 -2.454 486 HB3 ASN 60 3HB ASN 60 -1.719 1.064 -3.217 487 HD21 ASN 60 1HD2 ASN 60 -3.997 -0.290 -0.874 488 HD22 ASN 60 2HD2 ASN 60 -4.106 1.090 0.165 Start of MODEL 20 1 H1 LEU 1 H LEU 1 -4.788 13.430 -0.848 2 HA LEU 1 HA LEU 1 -5.534 11.557 -2.946 3 HB2 LEU 1 2HB LEU 1 -3.150 12.386 -2.414 4 HB3 LEU 1 3HB LEU 1 -3.222 11.296 -1.044 5 HG LEU 1 HG LEU 1 -4.005 9.633 -3.072 6 HD11 LEU 1 1HD1 LEU 1 -1.706 11.032 -4.358 7 HD12 LEU 1 2HD1 LEU 1 -3.006 10.052 -5.077 8 HD13 LEU 1 3HD1 LEU 1 -3.332 11.725 -4.561 9 HD21 LEU 1 1HD2 LEU 1 -2.451 8.643 -1.782 10 HD22 LEU 1 2HD2 LEU 1 -1.328 9.188 -3.051 11 HD23 LEU 1 3HD2 LEU 1 -1.519 10.144 -1.561 12 H LYS 2 H LYS 2 -6.318 9.477 -2.558 13 HA LYS 2 HA LYS 2 -6.873 8.868 0.259 14 HB2 LYS 2 2HB LYS 2 -8.798 8.537 -2.064 15 HB3 LYS 2 3HB LYS 2 -9.078 7.998 -0.420 16 HG2 LYS 2 2HG LYS 2 -9.832 10.061 0.137 17 HG3 LYS 2 3HG LYS 2 -8.268 10.745 -0.256 18 HD2 LYS 2 2HD LYS 2 -9.998 10.094 -2.607 19 HD3 LYS 2 3HD LYS 2 -10.597 11.375 -1.572 20 HE2 LYS 2 2HE LYS 2 -9.216 12.730 -2.793 21 HE3 LYS 2 3HE LYS 2 -7.944 12.096 -1.768 22 HZ1 LYS 2 1HZ LYS 2 -7.808 10.257 -3.475 23 HZ2 LYS 2 2HZ LYS 2 -8.686 11.223 -4.456 24 HZ3 LYS 2 3HZ LYS 2 -7.228 11.719 -3.914 25 H CYS 3 H CYS 3 -6.742 6.661 0.837 26 HA CYS 3 HA CYS 3 -5.737 4.939 -1.308 27 HB2 CYS 3 2HB CYS 3 -4.719 4.939 1.535 28 HB3 CYS 3 3HB CYS 3 -4.145 3.945 0.209 29 H ASN 4 H ASN 4 -6.333 2.666 -1.055 30 HA ASN 4 HA ASN 4 -8.809 2.409 0.337 31 HB2 ASN 4 2HB ASN 4 -7.921 1.360 -2.001 32 HB3 ASN 4 3HB ASN 4 -7.417 0.052 -0.948 33 HD21 ASN 4 1HD2 ASN 4 -9.897 1.334 -2.753 34 HD22 ASN 4 2HD2 ASN 4 -11.245 0.446 -2.125 35 H LYS 5 H LYS 5 -9.168 0.349 1.742 36 HA LYS 5 HA LYS 5 -6.896 0.094 3.540 37 HB2 LYS 5 2HB LYS 5 -9.805 -0.710 3.827 38 HB3 LYS 5 3HB LYS 5 -8.580 -0.943 5.055 39 HG2 LYS 5 2HG LYS 5 -8.625 1.819 3.995 40 HG3 LYS 5 3HG LYS 5 -10.147 1.349 4.723 41 HD2 LYS 5 2HD LYS 5 -9.037 0.744 6.823 42 HD3 LYS 5 3HD LYS 5 -7.452 0.960 6.104 43 HE2 LYS 5 2HE LYS 5 -7.604 3.303 6.111 44 HE3 LYS 5 3HE LYS 5 -9.355 3.300 6.021 45 HZ1 LYS 5 1HZ LYS 5 -7.793 2.493 8.377 46 HZ2 LYS 5 2HZ LYS 5 -8.567 3.919 8.198 47 HZ3 LYS 5 3HZ LYS 5 -9.422 2.531 8.289 48 H LEU 6 H LEU 6 -7.398 -2.438 4.645 49 HA LEU 6 HA LEU 6 -6.030 -4.062 2.837 50 HB2 LEU 6 2HB LEU 6 -6.373 -4.087 5.464 51 HB3 LEU 6 3HB LEU 6 -7.638 -5.230 5.061 52 HG LEU 6 HG LEU 6 -4.763 -5.537 4.163 53 HD11 LEU 6 1HD1 LEU 6 -5.897 -7.221 6.350 54 HD12 LEU 6 2HD1 LEU 6 -4.218 -6.720 6.034 55 HD13 LEU 6 3HD1 LEU 6 -5.371 -5.566 6.746 56 HD21 LEU 6 1HD2 LEU 6 -6.019 -6.845 2.726 57 HD22 LEU 6 2HD2 LEU 6 -5.607 -7.992 4.024 58 HD23 LEU 6 3HD2 LEU 6 -7.224 -7.250 3.972 59 H ILE 7 H ILE 7 -9.519 -3.711 3.628 60 HA ILE 7 HA ILE 7 -10.105 -5.734 1.603 61 HB ILE 7 HB ILE 7 -11.797 -4.461 3.753 62 HG12 ILE 7 2HG1 ILE 7 -10.538 -7.192 3.440 63 HG13 ILE 7 3HG1 ILE 7 -10.272 -6.020 4.716 64 HG21 ILE 7 1HG2 ILE 7 -12.737 -6.774 2.101 65 HG22 ILE 7 2HG2 ILE 7 -13.669 -5.550 2.997 66 HG23 ILE 7 3HG2 ILE 7 -12.889 -5.121 1.455 67 HD11 ILE 7 1HD1 ILE 7 -12.998 -7.272 4.168 68 HD12 ILE 7 2HD1 ILE 7 -11.826 -7.947 5.326 69 HD13 ILE 7 3HD1 ILE 7 -12.508 -6.324 5.593 70 HA PRO 8 HA PRO 8 -10.628 -2.474 -1.274 71 HB2 PRO 8 2HB PRO 8 -11.912 -3.980 -3.216 72 HB3 PRO 8 3HB PRO 8 -10.199 -3.915 -2.997 73 HG2 PRO 8 2HG PRO 8 -12.173 -6.001 -1.969 74 HG3 PRO 8 3HG PRO 8 -10.570 -6.235 -2.660 75 HD2 PRO 8 2HD PRO 8 -10.894 -6.348 0.030 76 HD3 PRO 8 3HD PRO 8 -9.442 -5.707 -0.678 77 H LEU 9 H LEU 9 -12.197 -1.402 0.364 78 HA LEU 9 HA LEU 9 -14.413 -0.526 -1.076 79 HB2 LEU 9 2HB LEU 9 -16.227 -1.607 -0.261 80 HB3 LEU 9 3HB LEU 9 -15.076 -2.929 -0.318 81 HG LEU 9 HG LEU 9 -14.696 -1.955 2.231 82 HD11 LEU 9 1HD1 LEU 9 -17.223 -0.935 1.346 83 HD12 LEU 9 2HD1 LEU 9 -17.497 -2.157 2.611 84 HD13 LEU 9 3HD1 LEU 9 -16.431 -0.768 2.931 85 HD21 LEU 9 1HD2 LEU 9 -16.160 -3.941 2.894 86 HD22 LEU 9 2HD2 LEU 9 -16.401 -4.197 1.150 87 HD23 LEU 9 3HD2 LEU 9 -14.762 -4.268 1.842 88 H ALA 10 H ALA 10 -12.713 -1.049 2.015 89 HA ALA 10 HA ALA 10 -13.831 1.437 3.051 90 HB1 ALA 10 1HB ALA 10 -12.396 0.659 5.080 91 HB2 ALA 10 2HB ALA 10 -13.863 -0.264 4.678 92 HB3 ALA 10 3HB ALA 10 -12.264 -0.882 4.201 93 H TYR 11 H TYR 11 -12.817 3.315 2.574 94 HA TYR 11 HA TYR 11 -9.889 3.209 2.315 95 HB2 TYR 11 2HB TYR 11 -10.229 4.905 0.484 96 HB3 TYR 11 3HB TYR 11 -11.105 3.435 0.109 97 HD1 TYR 11 1HD TYR 11 -11.501 6.888 1.438 98 HD2 TYR 11 2HD TYR 11 -13.467 3.449 -0.180 99 HE1 TYR 11 1HE TYR 11 -13.649 8.224 1.187 100 HE2 TYR 11 2HE TYR 11 -15.608 4.797 -0.425 101 HH TYR 11 HH TYR 11 -16.623 6.764 0.619 102 H LYS 12 H LYS 12 -8.842 5.381 2.677 103 HA LYS 12 HA LYS 12 -10.436 7.296 4.124 104 HB2 LYS 12 2HB LYS 12 -9.327 5.249 5.610 105 HB3 LYS 12 3HB LYS 12 -8.107 6.501 5.731 106 HG2 LYS 12 2HG LYS 12 -9.667 6.865 7.542 107 HG3 LYS 12 3HG LYS 12 -9.938 8.143 6.374 108 HD2 LYS 12 2HD LYS 12 -12.113 7.303 7.031 109 HD3 LYS 12 3HD LYS 12 -11.829 6.769 5.386 110 HE2 LYS 12 2HE LYS 12 -11.010 4.549 6.296 111 HE3 LYS 12 3HE LYS 12 -11.430 5.091 7.909 112 HZ1 LYS 12 1HZ LYS 12 -13.565 4.729 7.511 113 HZ2 LYS 12 2HZ LYS 12 -13.543 5.424 6.033 114 HZ3 LYS 12 3HZ LYS 12 -13.094 3.863 6.209 115 H THR 13 H THR 13 -9.359 9.350 4.326 116 HA THR 13 HA THR 13 -7.548 9.837 2.199 117 HB THR 13 HB THR 13 -8.569 11.520 4.546 118 HG1 THR 13 1HG THR 13 -9.154 11.224 1.682 119 HG21 THR 13 1HG2 THR 13 -6.532 12.106 2.538 120 HG22 THR 13 2HG2 THR 13 -7.986 13.086 2.228 121 HG23 THR 13 3HG2 THR 13 -7.173 13.173 3.810 122 H CYS 14 H CYS 14 -5.372 10.534 2.231 123 HA CYS 14 HA CYS 14 -3.850 9.150 4.194 124 HB2 CYS 14 2HB CYS 14 -2.845 11.061 2.086 125 HB3 CYS 14 3HB CYS 14 -1.924 9.834 2.935 126 HA PRO 15 HA PRO 15 -4.182 12.490 7.112 127 HB2 PRO 15 2HB PRO 15 -1.857 10.984 8.280 128 HB3 PRO 15 3HB PRO 15 -3.246 11.614 9.090 129 HG2 PRO 15 2HG PRO 15 -3.173 8.986 8.533 130 HG3 PRO 15 3HG PRO 15 -4.674 9.860 8.241 131 HD2 PRO 15 2HD PRO 15 -2.615 9.002 6.199 132 HD3 PRO 15 3HD PRO 15 -4.345 8.948 6.087 133 H ALA 16 H ALA 16 -2.499 13.887 8.555 134 HA ALA 16 HA ALA 16 -1.291 15.617 6.716 135 HB1 ALA 16 1HB ALA 16 -1.114 16.967 8.536 136 HB2 ALA 16 2HB ALA 16 -2.117 15.729 9.330 137 HB3 ALA 16 3HB ALA 16 -0.348 15.700 9.524 138 H GLY 17 H GLY 17 0.597 15.414 5.630 139 HA2 GLY 17 1HA GLY 17 2.937 15.157 5.644 140 HA3 GLY 17 2HA GLY 17 2.810 14.000 6.955 141 H LYS 18 H LYS 18 0.433 12.616 5.656 142 HA LYS 18 HA LYS 18 2.017 11.102 3.714 143 HB2 LYS 18 2HB LYS 18 -0.183 10.383 5.632 144 HB3 LYS 18 3HB LYS 18 0.067 9.409 4.199 145 HG2 LYS 18 2HG LYS 18 2.375 8.935 4.818 146 HG3 LYS 18 3HG LYS 18 2.335 10.116 6.113 147 HD2 LYS 18 2HD LYS 18 0.167 8.451 6.724 148 HD3 LYS 18 3HD LYS 18 1.349 7.326 6.082 149 HE2 LYS 18 2HE LYS 18 1.914 7.404 8.372 150 HE3 LYS 18 3HE LYS 18 3.059 8.527 7.666 151 HZ1 LYS 18 1HZ LYS 18 0.868 10.032 8.187 152 HZ2 LYS 18 2HZ LYS 18 0.959 9.042 9.482 153 HZ3 LYS 18 3HZ LYS 18 2.233 9.982 9.083 154 H ASN 19 H ASN 19 1.703 11.860 1.679 155 HA ASN 19 HA ASN 19 -1.083 12.326 0.951 156 HB2 ASN 19 2HB ASN 19 -0.404 14.151 -0.491 157 HB3 ASN 19 3HB ASN 19 0.397 14.427 1.043 158 HD21 ASN 19 1HD2 ASN 19 2.604 13.593 1.292 159 HD22 ASN 19 2HD2 ASN 19 3.683 13.631 -0.063 160 H LEU 20 H LEU 20 0.968 9.970 0.824 161 HA LEU 20 HA LEU 20 0.651 9.488 -2.049 162 HB2 LEU 20 2HB LEU 20 3.120 9.421 -0.404 163 HB3 LEU 20 3HB LEU 20 2.905 8.122 -1.560 164 HG LEU 20 HG LEU 20 2.394 10.787 -2.693 165 HD11 LEU 20 1HD1 LEU 20 5.252 10.153 -1.942 166 HD12 LEU 20 2HD1 LEU 20 4.602 11.637 -2.680 167 HD13 LEU 20 3HD1 LEU 20 4.211 11.239 -0.990 168 HD21 LEU 20 1HD2 LEU 20 2.673 8.478 -3.837 169 HD22 LEU 20 2HD2 LEU 20 3.416 9.913 -4.584 170 HD23 LEU 20 3HD2 LEU 20 4.417 8.778 -3.647 171 H CYS 21 H CYS 21 0.529 7.165 -2.602 172 HA CYS 21 HA CYS 21 -0.657 5.714 -0.360 173 HB2 CYS 21 2HB CYS 21 -1.120 5.658 -3.324 174 HB3 CYS 21 3HB CYS 21 -1.534 4.265 -2.345 175 H TYR 22 H TYR 22 -0.082 3.411 -0.119 176 HA TYR 22 HA TYR 22 2.204 2.497 -1.662 177 HB2 TYR 22 2HB TYR 22 3.635 2.468 0.235 178 HB3 TYR 22 3HB TYR 22 2.680 3.884 0.624 179 HD1 TYR 22 1HD TYR 22 2.814 0.188 1.194 180 HD2 TYR 22 2HD TYR 22 1.503 3.991 2.651 181 HE1 TYR 22 1HE TYR 22 2.097 -0.889 3.382 182 HE2 TYR 22 2HE TYR 22 0.791 2.901 4.835 183 HH TYR 22 HH TYR 22 1.237 0.998 6.123 184 H LYS 23 H LYS 23 2.690 0.164 -1.220 185 HA LYS 23 HA LYS 23 0.614 -1.266 0.197 186 HB2 LYS 23 2HB LYS 23 -0.127 -2.573 -1.660 187 HB3 LYS 23 3HB LYS 23 -0.314 -0.886 -2.089 188 HG2 LYS 23 2HG LYS 23 1.945 -1.009 -3.269 189 HG3 LYS 23 3HG LYS 23 1.957 -2.734 -2.958 190 HD2 LYS 23 2HD LYS 23 0.607 -3.119 -4.738 191 HD3 LYS 23 3HD LYS 23 -0.609 -2.027 -4.107 192 HE2 LYS 23 2HE LYS 23 1.856 -1.125 -5.672 193 HE3 LYS 23 3HE LYS 23 0.273 -1.361 -6.383 194 HZ1 LYS 23 1HZ LYS 23 -0.599 0.355 -5.068 195 HZ2 LYS 23 2HZ LYS 23 0.723 0.441 -4.112 196 HZ3 LYS 23 3HZ LYS 23 0.804 0.938 -5.666 197 H MET 24 H MET 24 1.414 -3.115 1.131 198 HA MET 24 HA MET 24 4.199 -3.655 0.499 199 HB2 MET 24 2HB MET 24 2.410 -4.007 2.930 200 HB3 MET 24 3HB MET 24 3.815 -5.045 2.778 201 HG2 MET 24 2HG MET 24 5.155 -2.829 2.351 202 HG3 MET 24 3HG MET 24 3.744 -2.011 2.990 203 HE1 MET 24 1HE MET 24 5.170 -0.969 4.511 204 HE2 MET 24 2HE MET 24 4.022 -1.391 5.804 205 HE3 MET 24 3HE MET 24 5.768 -1.629 6.052 206 H PHE 25 H PHE 25 4.753 -5.504 -0.578 207 HA PHE 25 HA PHE 25 2.732 -7.635 -0.626 208 HB2 PHE 25 2HB PHE 25 4.654 -6.416 -2.667 209 HB3 PHE 25 3HB PHE 25 4.127 -8.073 -2.885 210 HD1 PHE 25 1HD PHE 25 2.406 -4.902 -1.892 211 HD2 PHE 25 2HD PHE 25 2.510 -8.241 -4.506 212 HE1 PHE 25 1HE PHE 25 0.315 -4.085 -3.017 213 HE2 PHE 25 2HE PHE 25 0.420 -7.426 -5.632 214 HZ PHE 25 HZ PHE 25 -0.652 -5.358 -4.874 215 H MET 26 H MET 26 3.468 -9.816 -0.503 216 HA MET 26 HA MET 26 6.231 -9.998 0.421 217 HB2 MET 26 2HB MET 26 3.782 -11.729 1.080 218 HB3 MET 26 3HB MET 26 5.392 -12.019 1.709 219 HG2 MET 26 2HG MET 26 4.934 -9.303 2.301 220 HG3 MET 26 3HG MET 26 3.375 -10.053 2.584 221 HE1 MET 26 1HE MET 26 5.941 -8.742 4.364 222 HE2 MET 26 2HE MET 26 4.368 -8.940 5.173 223 HE3 MET 26 3HE MET 26 5.835 -9.645 5.894 224 H VAL 27 H VAL 27 7.573 -11.670 -0.386 225 HA VAL 27 HA VAL 27 7.292 -12.430 -2.968 226 HB VAL 27 HB VAL 27 9.197 -12.661 -1.152 227 HG11 VAL 27 1HG1 VAL 27 9.635 -15.068 -0.653 228 HG12 VAL 27 2HG1 VAL 27 8.196 -14.419 0.168 229 HG13 VAL 27 3HG1 VAL 27 8.011 -15.453 -1.270 230 HG21 VAL 27 1HG2 VAL 27 10.510 -13.833 -2.750 231 HG22 VAL 27 2HG2 VAL 27 9.085 -14.654 -3.430 232 HG23 VAL 27 3HG2 VAL 27 9.309 -12.907 -3.681 233 H SER 28 H SER 28 5.937 -13.992 -0.043 234 HA SER 28 HA SER 28 5.258 -16.401 -0.918 235 HB2 SER 28 2HB SER 28 3.303 -16.293 0.583 236 HB3 SER 28 3HB SER 28 4.693 -15.518 1.319 237 HG SER 28 HG SER 28 3.175 -13.985 1.640 238 H ASN 29 H ASN 29 3.714 -13.284 -1.819 239 HA ASN 29 HA ASN 29 2.713 -14.475 -4.179 240 HB2 ASN 29 2HB ASN 29 0.946 -15.051 -2.389 241 HB3 ASN 29 3HB ASN 29 0.649 -13.330 -2.231 242 HD21 ASN 29 1HD2 ASN 29 -0.727 -15.877 -3.395 243 HD22 ASN 29 2HD2 ASN 29 -1.423 -15.332 -4.884 244 H LYS 30 H LYS 30 3.924 -12.748 -5.184 245 HA LYS 30 HA LYS 30 3.623 -10.058 -4.305 246 HB2 LYS 30 2HB LYS 30 5.334 -11.553 -6.057 247 HB3 LYS 30 3HB LYS 30 4.697 -10.183 -6.942 248 HG2 LYS 30 2HG LYS 30 5.327 -8.725 -4.915 249 HG3 LYS 30 3HG LYS 30 6.180 -10.116 -4.277 250 HD2 LYS 30 2HD LYS 30 6.771 -9.332 -7.122 251 HD3 LYS 30 3HD LYS 30 7.384 -8.281 -5.862 252 HE2 LYS 30 2HE LYS 30 7.967 -10.918 -4.971 253 HE3 LYS 30 3HE LYS 30 8.341 -10.922 -6.683 254 HZ1 LYS 30 1HZ LYS 30 9.371 -9.034 -4.684 255 HZ2 LYS 30 2HZ LYS 30 10.220 -10.183 -5.473 256 HZ3 LYS 30 3HZ LYS 30 9.638 -8.893 -6.288 257 H THR 31 H THR 31 1.502 -12.142 -5.823 258 HA THR 31 HA THR 31 0.397 -10.091 -7.593 259 HB THR 31 HB THR 31 -0.176 -13.072 -7.177 260 HG1 THR 31 1HG THR 31 0.799 -12.911 -9.436 261 HG21 THR 31 1HG2 THR 31 -2.111 -12.681 -8.341 262 HG22 THR 31 2HG2 THR 31 -1.686 -10.971 -8.586 263 HG23 THR 31 3HG2 THR 31 -1.078 -12.209 -9.711 264 H VAL 32 H VAL 32 0.219 -10.995 -4.353 265 HA VAL 32 HA VAL 32 -2.372 -9.673 -4.164 266 HB VAL 32 HB VAL 32 -1.661 -12.369 -3.009 267 HG11 VAL 32 1HG1 VAL 32 -4.153 -11.979 -2.075 268 HG12 VAL 32 2HG1 VAL 32 -2.692 -11.572 -1.141 269 HG13 VAL 32 3HG1 VAL 32 -3.565 -10.299 -2.029 270 HG21 VAL 32 1HG2 VAL 32 -4.174 -12.580 -4.029 271 HG22 VAL 32 2HG2 VAL 32 -3.472 -11.370 -5.129 272 HG23 VAL 32 3HG2 VAL 32 -2.690 -12.957 -4.936 273 HA PRO 33 HA PRO 33 0.093 -7.478 -1.296 274 HB2 PRO 33 2HB PRO 33 -1.857 -5.837 -0.285 275 HB3 PRO 33 3HB PRO 33 -1.110 -5.594 -1.822 276 HG2 PRO 33 2HG PRO 33 -3.791 -6.902 -1.193 277 HG3 PRO 33 3HG PRO 33 -3.372 -5.800 -2.501 278 HD2 PRO 33 2HD PRO 33 -3.537 -8.501 -2.927 279 HD3 PRO 33 3HD PRO 33 -2.491 -7.470 -3.855 280 H VAL 34 H VAL 34 0.547 -6.972 0.949 281 HA VAL 34 HA VAL 34 -0.774 -8.887 2.745 282 HB VAL 34 HB VAL 34 1.780 -8.963 2.026 283 HG11 VAL 34 1HG1 VAL 34 3.194 -7.876 3.758 284 HG12 VAL 34 2HG1 VAL 34 2.352 -6.708 2.712 285 HG13 VAL 34 3HG1 VAL 34 1.754 -7.020 4.359 286 HG21 VAL 34 1HG2 VAL 34 2.260 -9.985 4.300 287 HG22 VAL 34 2HG2 VAL 34 0.624 -9.475 4.779 288 HG23 VAL 34 3HG2 VAL 34 0.839 -10.629 3.442 289 H LYS 35 H LYS 35 0.276 -5.540 2.153 290 HA LYS 35 HA LYS 35 -1.478 -4.687 4.280 291 HB2 LYS 35 2HB LYS 35 1.457 -4.666 4.546 292 HB3 LYS 35 3HB LYS 35 0.703 -3.115 4.853 293 HG2 LYS 35 2HG LYS 35 -0.788 -4.092 6.533 294 HG3 LYS 35 3HG LYS 35 -0.265 -5.715 6.126 295 HD2 LYS 35 2HD LYS 35 1.912 -3.804 6.892 296 HD3 LYS 35 3HD LYS 35 0.805 -4.248 8.176 297 HE2 LYS 35 2HE LYS 35 2.149 -6.327 6.395 298 HE3 LYS 35 3HE LYS 35 2.879 -5.753 7.882 299 HZ1 LYS 35 1HZ LYS 35 0.976 -7.699 7.628 300 HZ2 LYS 35 2HZ LYS 35 1.545 -7.061 9.019 301 HZ3 LYS 35 3HZ LYS 35 0.199 -6.445 8.328 302 H ARG 36 H ARG 36 -2.125 -2.460 4.041 303 HA ARG 36 HA ARG 36 -1.063 -1.127 1.724 304 HB2 ARG 36 2HB ARG 36 -3.892 -2.167 1.983 305 HB3 ARG 36 3HB ARG 36 -3.654 -0.633 1.171 306 HG2 ARG 36 2HG ARG 36 -2.840 -1.646 -0.696 307 HG3 ARG 36 3HG ARG 36 -1.688 -2.586 0.234 308 HD2 ARG 36 2HD ARG 36 -4.650 -3.305 -0.015 309 HD3 ARG 36 3HD ARG 36 -3.395 -3.981 -1.035 310 HE ARG 36 HE ARG 36 -2.489 -4.406 1.579 311 HH11 ARG 36 1HH1 ARG 36 -4.189 -7.359 2.332 312 HH12 ARG 36 2HH1 ARG 36 -2.850 -6.340 2.742 313 HH21 ARG 36 1HH2 ARG 36 -5.616 -6.759 0.603 314 HH22 ARG 36 2HH2 ARG 36 -5.342 -5.293 -0.279 315 H GLY 37 H GLY 37 -1.371 1.189 1.818 316 HA2 GLY 37 1HA GLY 37 -3.124 2.525 3.521 317 HA3 GLY 37 2HA GLY 37 -1.640 2.266 4.417 318 H CYS 38 H CYS 38 -1.709 4.756 4.290 319 HA CYS 38 HA CYS 38 -0.674 5.667 1.715 320 HB2 CYS 38 2HB CYS 38 -1.924 7.158 4.024 321 HB3 CYS 38 3HB CYS 38 -1.114 7.961 2.693 322 H ILE 39 H ILE 39 1.250 7.132 1.788 323 HA ILE 39 HA ILE 39 2.763 7.073 4.259 324 HB ILE 39 HB ILE 39 3.211 4.959 2.868 325 HG12 ILE 39 2HG1 ILE 39 5.552 6.710 3.667 326 HG13 ILE 39 3HG1 ILE 39 4.558 5.805 4.793 327 HG21 ILE 39 1HG2 ILE 39 4.876 5.200 1.091 328 HG22 ILE 39 2HG2 ILE 39 3.359 6.032 0.679 329 HG23 ILE 39 3HG2 ILE 39 4.769 6.972 1.223 330 HD11 ILE 39 1HD1 ILE 39 6.806 4.863 3.310 331 HD12 ILE 39 2HD1 ILE 39 5.745 3.923 4.387 332 HD13 ILE 39 3HD1 ILE 39 5.376 4.034 2.649 333 H ASP 40 H ASP 40 4.667 8.554 4.144 334 HA ASP 40 HA ASP 40 3.901 10.828 2.586 335 HB2 ASP 40 2HB ASP 40 4.554 11.324 4.830 336 HB3 ASP 40 3HB ASP 40 5.956 10.274 4.749 337 HD2 ASP 40 HD ASP 40 6.144 14.046 3.517 338 H ALA 41 H ALA 41 6.795 8.677 3.090 339 HA ALA 41 HA ALA 41 7.904 9.708 0.577 340 HB1 ALA 41 1HB ALA 41 9.491 10.031 2.284 341 HB2 ALA 41 2HB ALA 41 9.092 8.490 3.078 342 HB3 ALA 41 3HB ALA 41 9.996 8.493 1.546 343 H CYS 42 H CYS 42 8.913 8.098 -0.893 344 HA CYS 42 HA CYS 42 7.191 5.802 -1.075 345 HB2 CYS 42 2HB CYS 42 7.863 7.307 -3.006 346 HB3 CYS 42 3HB CYS 42 9.448 6.563 -2.929 347 HA PRO 43 HA PRO 43 10.034 3.476 1.433 348 HB2 PRO 43 2HB PRO 43 8.446 1.233 0.217 349 HB3 PRO 43 3HB PRO 43 8.887 1.466 1.871 350 HG2 PRO 43 2HG PRO 43 6.382 2.086 1.105 351 HG3 PRO 43 3HG PRO 43 7.229 3.191 2.185 352 HD2 PRO 43 2HD PRO 43 6.794 3.495 -0.792 353 HD3 PRO 43 3HD PRO 43 6.690 4.701 0.452 354 H LYS 44 H LYS 44 11.217 1.133 1.213 355 HA LYS 44 HA LYS 44 12.669 1.287 -1.337 356 HB2 LYS 44 2HB LYS 44 14.687 0.686 -0.159 357 HB3 LYS 44 3HB LYS 44 13.993 2.118 0.570 358 HG2 LYS 44 2HG LYS 44 12.831 0.516 2.250 359 HG3 LYS 44 3HG LYS 44 13.890 -0.735 1.630 360 HD2 LYS 44 2HD LYS 44 15.399 1.706 2.242 361 HD3 LYS 44 3HD LYS 44 14.500 1.159 3.643 362 HE2 LYS 44 2HE LYS 44 15.737 -1.121 2.297 363 HE3 LYS 44 3HE LYS 44 16.946 0.099 2.642 364 HZ1 LYS 44 1HZ LYS 44 15.220 -0.207 4.833 365 HZ2 LYS 44 2HZ LYS 44 15.837 -1.660 4.413 366 HZ3 LYS 44 3HZ LYS 44 16.838 -0.417 4.765 367 H ASN 45 H ASN 45 12.453 -0.472 -2.607 368 HA ASN 45 HA ASN 45 10.901 -2.599 -1.873 369 HB2 ASN 45 2HB ASN 45 11.855 -3.717 -3.920 370 HB3 ASN 45 3HB ASN 45 11.385 -2.057 -4.230 371 HD21 ASN 45 1HD2 ASN 45 12.912 -0.477 -4.567 372 HD22 ASN 45 2HD2 ASN 45 14.581 -0.807 -4.886 373 H SER 46 H SER 46 11.516 -4.889 -1.431 374 HA SER 46 HA SER 46 14.246 -5.130 -0.438 375 HB2 SER 46 2HB SER 46 11.887 -6.522 0.870 376 HB3 SER 46 3HB SER 46 13.503 -6.303 1.512 377 HG SER 46 HG SER 46 12.664 -4.593 2.493 378 H LEU 47 H LEU 47 14.654 -7.688 0.002 379 HA LEU 47 HA LEU 47 14.359 -8.901 -2.542 380 HB2 LEU 47 2HB LEU 47 16.316 -9.518 -1.613 381 HB3 LEU 47 3HB LEU 47 15.697 -9.480 0.026 382 HG LEU 47 HG LEU 47 14.427 -11.640 -0.594 383 HD11 LEU 47 1HD1 LEU 47 15.445 -11.098 -3.116 384 HD12 LEU 47 2HD1 LEU 47 16.486 -12.408 -2.508 385 HD13 LEU 47 3HD1 LEU 47 14.721 -12.628 -2.568 386 HD21 LEU 47 1HD2 LEU 47 16.702 -12.952 -0.357 387 HD22 LEU 47 2HD2 LEU 47 17.352 -11.322 -0.055 388 HD23 LEU 47 3HD2 LEU 47 16.057 -11.970 0.981 389 H LEU 48 H LEU 48 13.076 -9.717 0.761 390 HA LEU 48 HA LEU 48 11.224 -11.570 -0.462 391 HB2 LEU 48 2HB LEU 48 12.209 -10.957 2.264 392 HB3 LEU 48 3HB LEU 48 10.565 -11.553 2.148 393 HG LEU 48 HG LEU 48 12.586 -13.089 0.614 394 HD11 LEU 48 1HD1 LEU 48 13.512 -12.313 3.004 395 HD12 LEU 48 2HD1 LEU 48 12.550 -13.719 3.519 396 HD13 LEU 48 3HD1 LEU 48 13.840 -13.918 2.309 397 HD21 LEU 48 1HD2 LEU 48 11.303 -14.988 1.453 398 HD22 LEU 48 2HD2 LEU 48 10.356 -13.904 2.499 399 HD23 LEU 48 3HD2 LEU 48 10.233 -13.764 0.728 400 H VAL 49 H VAL 49 11.229 -8.396 1.242 401 HA VAL 49 HA VAL 49 8.358 -8.199 0.799 402 HB VAL 49 HB VAL 49 10.261 -6.321 2.211 403 HG11 VAL 49 1HG1 VAL 49 8.175 -5.255 1.505 404 HG12 VAL 49 2HG1 VAL 49 7.233 -6.549 2.286 405 HG13 VAL 49 3HG1 VAL 49 8.218 -5.444 3.274 406 HG21 VAL 49 1HG2 VAL 49 10.361 -8.431 3.354 407 HG22 VAL 49 2HG2 VAL 49 9.324 -7.342 4.306 408 HG23 VAL 49 3HG2 VAL 49 8.591 -8.610 3.295 409 H LYS 50 H LYS 50 7.424 -6.374 -0.347 410 HA LYS 50 HA LYS 50 9.282 -4.861 -1.993 411 HB2 LYS 50 2HB LYS 50 8.865 -6.796 -3.372 412 HB3 LYS 50 3HB LYS 50 7.137 -6.685 -3.109 413 HG2 LYS 50 2HG LYS 50 7.153 -5.513 -5.080 414 HG3 LYS 50 3HG LYS 50 7.618 -4.163 -4.064 415 HD2 LYS 50 2HD LYS 50 10.007 -4.587 -4.509 416 HD3 LYS 50 3HD LYS 50 9.617 -6.041 -5.406 417 HE2 LYS 50 2HE LYS 50 8.180 -3.631 -6.383 418 HE3 LYS 50 3HE LYS 50 9.924 -3.504 -6.512 419 HZ1 LYS 50 1HZ LYS 50 8.134 -5.359 -7.820 420 HZ2 LYS 50 2HZ LYS 50 9.458 -4.603 -8.405 421 HZ3 LYS 50 3HZ LYS 50 9.623 -5.911 -7.441 422 H TYR 51 H TYR 51 8.738 -2.762 -1.797 423 HA TYR 51 HA TYR 51 5.944 -2.181 -1.096 424 HB2 TYR 51 2HB TYR 51 8.542 -0.543 -0.849 425 HB3 TYR 51 3HB TYR 51 7.003 -0.110 -0.135 426 HD1 TYR 51 1HD TYR 51 6.481 -0.781 2.055 427 HD2 TYR 51 2HD TYR 51 9.637 -2.763 -0.046 428 HE1 TYR 51 1HE TYR 51 7.122 -2.025 4.176 429 HE2 TYR 51 2HE TYR 51 10.268 -4.001 2.083 430 HH TYR 51 HH TYR 51 8.327 -3.636 5.021 431 H VAL 52 H VAL 52 4.702 -0.895 -2.410 432 HA VAL 52 HA VAL 52 6.099 0.508 -4.571 433 HB VAL 52 HB VAL 52 3.654 -1.256 -4.822 434 HG11 VAL 52 1HG1 VAL 52 4.303 -0.616 -7.373 435 HG12 VAL 52 2HG1 VAL 52 3.095 0.267 -6.408 436 HG13 VAL 52 3HG1 VAL 52 4.756 0.895 -6.548 437 HG21 VAL 52 1HG2 VAL 52 5.302 -2.283 -6.622 438 HG22 VAL 52 2HG2 VAL 52 6.542 -1.574 -5.559 439 HG23 VAL 52 3HG2 VAL 52 5.389 -2.765 -4.910 440 H CYS 53 H CYS 53 5.495 2.615 -4.737 441 HA CYS 53 HA CYS 53 3.124 3.374 -3.198 442 HB2 CYS 53 2HB CYS 53 4.090 5.487 -2.821 443 HB3 CYS 53 3HB CYS 53 5.319 4.291 -2.451 444 H CYS 54 H CYS 54 1.765 5.123 -4.180 445 HA CYS 54 HA CYS 54 2.152 5.414 -7.051 446 HB2 CYS 54 2HB CYS 54 -0.441 5.137 -7.183 447 HB3 CYS 54 3HB CYS 54 0.625 3.748 -7.275 448 H ASN 55 H ASN 55 0.813 7.295 -7.890 449 HA ASN 55 HA ASN 55 0.378 9.184 -5.713 450 HB2 ASN 55 2HB ASN 55 0.878 10.967 -7.423 451 HB3 ASN 55 3HB ASN 55 2.232 9.881 -7.182 452 HD21 ASN 55 1HD2 ASN 55 1.384 11.576 -9.462 453 HD22 ASN 55 2HD2 ASN 55 1.314 10.540 -10.848 454 H THR 56 H THR 56 -1.651 7.312 -6.533 455 HA THR 56 HA THR 56 -3.554 9.140 -7.829 456 HB THR 56 HB THR 56 -4.435 6.739 -8.720 457 HG1 THR 56 1HG THR 56 -2.443 5.892 -7.472 458 HG21 THR 56 1HG2 THR 56 -3.924 7.958 -10.606 459 HG22 THR 56 2HG2 THR 56 -2.540 8.749 -9.814 460 HG23 THR 56 3HG2 THR 56 -2.350 7.131 -10.530 461 H ASP 57 H ASP 57 -5.894 8.287 -7.465 462 HA ASP 57 HA ASP 57 -6.064 7.943 -4.625 463 HB2 ASP 57 2HB ASP 57 -8.159 8.886 -4.820 464 HB3 ASP 57 3HB ASP 57 -7.503 9.452 -6.343 465 HD2 ASP 57 HD ASP 57 -9.951 7.952 -4.963 466 H ARG 58 H ARG 58 -7.290 6.160 -3.629 467 HA ARG 58 HA ARG 58 -7.520 3.988 -3.404 468 HB2 ARG 58 2HB ARG 58 -9.526 4.977 -5.379 469 HB3 ARG 58 3HB ARG 58 -9.362 3.231 -5.340 470 HG2 ARG 58 2HG ARG 58 -10.462 3.092 -3.357 471 HG3 ARG 58 3HG ARG 58 -9.402 4.276 -2.616 472 HD2 ARG 58 2HD ARG 58 -11.440 5.417 -2.509 473 HD3 ARG 58 3HD ARG 58 -10.825 6.025 -4.033 474 HE ARG 58 HE ARG 58 -12.274 3.634 -4.584 475 HH11 ARG 58 1HH1 ARG 58 -15.374 5.123 -5.174 476 HH12 ARG 58 2HH1 ARG 58 -14.409 3.701 -5.394 477 HH21 ARG 58 1HH2 ARG 58 -14.497 6.958 -4.057 478 HH22 ARG 58 2HH2 ARG 58 -12.879 6.907 -3.444 479 H CYS 59 H CYS 59 -5.136 4.224 -4.699 480 HA CYS 59 HA CYS 59 -5.238 2.662 -7.129 481 HB2 CYS 59 2HB CYS 59 -2.802 3.064 -7.197 482 HB3 CYS 59 3HB CYS 59 -3.769 4.525 -7.197 483 H ASN 60 H ASN 60 -4.209 2.503 -3.687 484 HA ASN 60 HA ASN 60 -3.405 -0.251 -4.128 485 HB2 ASN 60 2HB ASN 60 -2.293 -0.083 -1.935 486 HB3 ASN 60 3HB ASN 60 -1.819 1.291 -2.913 487 HD21 ASN 60 1HD2 ASN 60 -4.151 0.211 -0.475 488 HD22 ASN 60 2HD2 ASN 60 -4.353 1.729 0.335
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