NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22439 | 2joo | 15405 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1H VAL 1 -6.390 16.077 7.924 2 H2 VAL 1 2H VAL 1 -6.606 17.278 6.749 3 H3 VAL 1 3H VAL 1 -5.148 17.191 7.603 4 HA VAL 1 HA VAL 1 -4.791 16.323 5.445 5 HB VAL 1 HB VAL 1 -4.087 14.017 5.931 6 HG11 VAL 1 1HG1 VAL 1 -2.579 14.543 7.789 7 HG12 VAL 1 2HG1 VAL 1 -3.543 15.974 8.157 8 HG13 VAL 1 3HG1 VAL 1 -2.678 15.858 6.623 9 HG21 VAL 1 3HG2 VAL 1 -5.987 13.274 7.256 10 HG22 VAL 1 1HG2 VAL 1 -5.546 14.393 8.548 11 HG23 VAL 1 2HG2 VAL 1 -4.483 13.043 8.148 12 H VAL 2 H VAL 2 -5.325 14.891 3.753 13 HA VAL 2 HA VAL 2 -8.142 14.017 3.831 14 HB VAL 2 HB VAL 2 -6.709 15.231 1.459 15 HG11 VAL 2 1HG1 VAL 2 -8.920 15.207 0.391 16 HG12 VAL 2 2HG1 VAL 2 -9.586 14.388 1.803 17 HG13 VAL 2 3HG1 VAL 2 -8.380 13.579 0.803 18 HG21 VAL 2 3HG2 VAL 2 -8.252 17.131 1.753 19 HG22 VAL 2 1HG2 VAL 2 -7.164 16.934 3.129 20 HG23 VAL 2 2HG2 VAL 2 -8.840 16.402 3.246 21 H TYR 3 H TYR 3 -7.977 11.848 3.960 22 HA TYR 3 HA TYR 3 -6.189 10.455 2.111 23 HB2 TYR 3 2HB TYR 3 -7.960 9.478 4.345 24 HB3 TYR 3 1HB TYR 3 -7.228 8.380 3.194 25 HD1 TYR 3 HD2 TYR 3 -6.115 11.237 5.371 26 HD2 TYR 3 HD1 TYR 3 -5.321 7.322 3.888 27 HE1 TYR 3 HE2 TYR 3 -4.064 11.139 6.727 28 HE2 TYR 3 HE1 TYR 3 -3.271 7.219 5.236 29 HH TYR 3 HH TYR 3 -2.613 9.301 7.749 30 H THR 4 H THR 4 -7.090 8.752 0.770 31 HA THR 4 HA THR 4 -9.828 9.274 -0.120 32 HB THR 4 HB THR 4 -8.987 9.139 -2.503 33 HG1 THR 4 HG1 THR 4 -6.487 9.653 -1.203 34 HG21 THR 4 3HG2 THR 4 -8.297 11.502 -2.599 35 HG22 THR 4 1HG2 THR 4 -8.086 11.502 -0.849 36 HG23 THR 4 2HG2 THR 4 -9.691 11.269 -1.543 37 H ASP 5 H ASP 5 -10.175 7.580 -2.086 38 HA ASP 5 HA ASP 5 -9.691 4.988 -0.868 39 HB2 ASP 5 2HB ASP 5 -11.103 5.349 -3.494 40 HB3 ASP 5 1HB ASP 5 -11.424 4.186 -2.213 41 H CYS 6 H CYS 6 -8.790 3.210 -2.118 42 HA CYS 6 HA CYS 6 -6.420 3.924 -3.482 43 HB2 CYS 6 2HB CYS 6 -7.767 1.241 -3.690 44 HB3 CYS 6 1HB CYS 6 -6.048 1.611 -3.780 45 HG CYS 6 HG CYS 6 -5.581 1.835 -1.171 46 H THR 7 H THR 7 -5.986 4.193 -5.601 47 HA THR 7 HA THR 7 -8.268 3.971 -7.441 48 HB THR 7 HB THR 7 -5.746 5.605 -7.719 49 HG1 THR 7 HG1 THR 7 -8.410 6.414 -7.058 50 HG21 THR 7 3HG2 THR 7 -6.981 6.756 -9.521 51 HG22 THR 7 1HG2 THR 7 -8.301 5.604 -9.333 52 HG23 THR 7 2HG2 THR 7 -6.722 5.050 -9.887 53 H GLU 8 H GLU 8 -5.012 2.891 -6.859 54 HA GLU 8 HA GLU 8 -5.146 1.263 -9.303 55 HB2 GLU 8 2HB GLU 8 -3.102 3.142 -8.442 56 HB3 GLU 8 1HB GLU 8 -2.438 1.539 -8.696 57 HG2 GLU 8 2HG GLU 8 -4.059 3.085 -10.709 58 HG3 GLU 8 1HG GLU 8 -2.299 2.980 -10.685 59 H SER 9 H SER 9 -3.942 -0.748 -9.165 60 HA SER 9 HA SER 9 -4.324 -1.935 -6.545 61 HB2 SER 9 2HB SER 9 -3.495 -3.237 -9.156 62 HB3 SER 9 1HB SER 9 -4.061 -4.062 -7.696 63 HG SER 9 HG SER 9 -5.540 -2.291 -9.362 64 H GLY 10 H GLY 10 -2.738 -2.402 -5.180 65 HA2 GLY 10 2HA GLY 10 -0.420 -3.098 -4.828 66 HA3 GLY 10 1HA GLY 10 0.032 -2.063 -6.172 67 H GLN 11 H GLN 11 -2.230 -0.320 -4.740 68 HA GLN 11 HA GLN 11 -0.317 1.177 -3.126 69 HB2 GLN 11 2HB GLN 11 -2.922 1.768 -4.402 70 HB3 GLN 11 1HB GLN 11 -2.578 2.620 -2.898 71 HG2 GLN 11 2HG GLN 11 -1.379 4.064 -4.046 72 HG3 GLN 11 1HG GLN 11 -0.239 2.778 -4.423 73 HE21 GLN 11 1HE2 GLN 11 -2.911 4.665 -5.518 74 HE22 GLN 11 2HE2 GLN 11 -2.739 4.303 -7.190 75 H ASN 12 H ASN 12 -0.897 1.936 -0.961 76 HA ASN 12 HA ASN 12 -2.721 0.084 0.398 77 HB2 ASN 12 2HB ASN 12 -1.078 0.298 2.383 78 HB3 ASN 12 1HB ASN 12 -0.779 -0.856 1.099 79 HD21 ASN 12 1HD2 ASN 12 1.366 -0.952 1.567 80 HD22 ASN 12 2HD2 ASN 12 2.470 0.312 1.149 81 H LEU 13 H LEU 13 -0.862 3.040 1.030 82 HA LEU 13 HA LEU 13 -2.333 3.926 3.231 83 HB2 LEU 13 2HB LEU 13 -0.606 5.420 1.272 84 HB3 LEU 13 1HB LEU 13 -1.290 6.169 2.702 85 HG LEU 13 HG LEU 13 0.540 3.769 2.787 86 HD11 LEU 13 1HD1 LEU 13 1.175 6.689 3.188 87 HD12 LEU 13 2HD1 LEU 13 1.723 5.677 1.850 88 HD13 LEU 13 3HD1 LEU 13 2.275 5.345 3.492 89 HD21 LEU 13 3HD2 LEU 13 0.732 4.303 5.139 90 HD22 LEU 13 1HD2 LEU 13 -0.965 4.072 4.723 91 HD23 LEU 13 2HD2 LEU 13 -0.325 5.700 4.939 92 H CYS 14 H CYS 14 -4.400 3.336 1.970 93 HA CYS 14 HA CYS 14 -5.832 5.807 1.518 94 HB2 CYS 14 2HB CYS 14 -6.806 4.491 -0.640 95 HB3 CYS 14 1HB CYS 14 -5.503 5.668 -0.745 96 HG CYS 14 HG CYS 14 -4.126 2.813 -0.060 97 H LEU 15 H LEU 15 -8.267 5.265 1.261 98 HA LEU 15 HA LEU 15 -8.927 3.131 3.108 99 HB2 LEU 15 2HB LEU 15 -11.150 4.324 1.588 100 HB3 LEU 15 1HB LEU 15 -10.986 4.059 3.308 101 HG LEU 15 HG LEU 15 -9.663 6.347 1.835 102 HD11 LEU 15 1HD1 LEU 15 -11.426 7.758 2.729 103 HD12 LEU 15 2HD1 LEU 15 -12.222 6.350 3.433 104 HD13 LEU 15 3HD1 LEU 15 -12.100 6.512 1.680 105 HD21 LEU 15 3HD2 LEU 15 -8.577 5.761 3.920 106 HD22 LEU 15 1HD2 LEU 15 -10.123 5.826 4.767 107 HD23 LEU 15 2HD2 LEU 15 -9.430 7.296 4.082 108 H CYS 16 H CYS 16 -8.668 1.171 2.284 109 HA CYS 16 HA CYS 16 -9.362 0.594 -0.451 110 HB2 CYS 16 2HB CYS 16 -7.378 -0.456 0.328 111 HB3 CYS 16 1HB CYS 16 -8.179 -1.043 1.777 112 HG CYS 16 HG CYS 16 -7.644 -2.671 -0.916 113 H GLU 17 H GLU 17 -10.052 -1.141 2.526 114 HA GLU 17 HA GLU 17 -12.547 -2.093 1.388 115 HB2 GLU 17 2HB GLU 17 -10.630 -3.020 3.278 116 HB3 GLU 17 1HB GLU 17 -12.235 -2.999 3.995 117 HG2 GLU 17 2HG GLU 17 -13.062 -4.521 2.416 118 HG3 GLU 17 1HG GLU 17 -11.709 -4.246 1.318 119 H GLY 18 H GLY 18 -14.162 -0.843 1.625 120 HA2 GLY 18 2HA GLY 18 -15.737 0.613 2.451 121 HA3 GLY 18 1HA GLY 18 -15.461 -0.210 3.976 122 H SER 19 H SER 19 -13.830 0.604 5.376 123 HA SER 19 HA SER 19 -13.174 3.442 4.950 124 HB2 SER 19 2HB SER 19 -13.405 3.449 7.562 125 HB3 SER 19 1HB SER 19 -14.848 3.599 6.557 126 HG SER 19 HG SER 19 -13.963 1.488 8.166 127 H ASN 20 H ASN 20 -11.945 0.419 5.310 128 HA ASN 20 HA ASN 20 -9.967 0.770 7.306 129 HB2 ASN 20 2HB ASN 20 -10.291 -1.208 5.060 130 HB3 ASN 20 1HB ASN 20 -8.883 -1.234 6.118 131 HD21 ASN 20 1HD2 ASN 20 -12.353 -1.572 5.966 132 HD22 ASN 20 2HD2 ASN 20 -12.520 -2.410 7.470 133 H VAL 21 H VAL 21 -8.335 2.058 7.253 134 HA VAL 21 HA VAL 21 -7.261 3.006 4.714 135 HB VAL 21 HB VAL 21 -6.208 3.734 7.444 136 HG11 VAL 21 1HG1 VAL 21 -5.534 5.803 6.296 137 HG12 VAL 21 2HG1 VAL 21 -6.153 5.140 4.785 138 HG13 VAL 21 3HG1 VAL 21 -4.798 4.360 5.599 139 HG21 VAL 21 3HG2 VAL 21 -8.507 5.016 5.988 140 HG22 VAL 21 1HG2 VAL 21 -7.693 5.705 7.390 141 HG23 VAL 21 2HG2 VAL 21 -8.572 4.184 7.537 142 H CYS 22 H CYS 22 -6.169 1.278 3.866 143 HA CYS 22 HA CYS 22 -4.506 -0.436 5.351 144 HB2 CYS 22 2HB CYS 22 -5.359 -0.227 2.648 145 HB3 CYS 22 1HB CYS 22 -3.602 -0.282 2.634 146 HG CYS 22 HG CYS 22 -5.757 -2.637 3.806 147 H GLY 23 H GLY 23 -2.256 -0.490 5.578 148 HA2 GLY 23 2HA GLY 23 -0.856 1.991 4.851 149 HA3 GLY 23 1HA GLY 23 -0.785 1.376 6.497 150 H GLN 24 H GLN 24 1.191 0.575 6.822 151 HA GLN 24 HA GLN 24 2.622 -0.528 4.543 152 HB2 GLN 24 2HB GLN 24 3.512 0.072 7.370 153 HB3 GLN 24 1HB GLN 24 4.568 -0.549 6.108 154 HG2 GLN 24 2HG GLN 24 4.273 1.447 4.809 155 HG3 GLN 24 1HG GLN 24 3.067 2.056 5.942 156 HE21 GLN 24 1HE2 GLN 24 5.949 0.400 6.995 157 HE22 GLN 24 2HE2 GLN 24 6.726 1.784 7.681 158 H GLY 25 H GLY 25 3.360 -2.603 4.378 159 HA2 GLY 25 2HA GLY 25 3.592 -4.851 5.004 160 HA3 GLY 25 1HA GLY 25 2.622 -4.539 6.438 161 H ASN 26 H ASN 26 0.814 -3.056 4.352 162 HA ASN 26 HA ASN 26 -0.467 -5.480 3.283 163 HB2 ASN 26 2HB ASN 26 -1.761 -2.983 4.371 164 HB3 ASN 26 1HB ASN 26 -2.622 -4.198 3.432 165 HD21 ASN 26 1HD2 ASN 26 -3.024 -3.327 6.189 166 HD22 ASN 26 2HD2 ASN 26 -2.888 -4.751 7.160 167 H LYS 27 H LYS 27 -1.840 -5.051 1.399 168 HA LYS 27 HA LYS 27 -1.114 -2.750 -0.199 169 HB2 LYS 27 2HB LYS 27 0.704 -4.193 -0.748 170 HB3 LYS 27 1HB LYS 27 -0.355 -5.585 -0.894 171 HG2 LYS 27 2HG LYS 27 -1.222 -4.851 -2.945 172 HG3 LYS 27 1HG LYS 27 -0.574 -3.223 -2.727 173 HD2 LYS 27 2HD LYS 27 0.734 -4.559 -4.344 174 HD3 LYS 27 1HD LYS 27 1.684 -4.037 -2.948 175 HE2 LYS 27 2HE LYS 27 2.167 -6.360 -3.527 176 HE3 LYS 27 1HE LYS 27 1.428 -6.237 -1.934 177 HZ1 LYS 27 3HZ LYS 27 -0.716 -6.818 -3.015 178 HZ2 LYS 27 1HZ LYS 27 0.443 -8.052 -3.072 179 HZ3 LYS 27 2HZ LYS 27 0.127 -7.121 -4.453 180 H CYS 28 H CYS 28 -2.918 -2.106 -1.255 181 HA CYS 28 HA CYS 28 -5.198 -3.903 -1.290 182 HB2 CYS 28 2HB CYS 28 -5.657 -1.672 -0.513 183 HB3 CYS 28 1HB CYS 28 -4.921 -0.969 -1.948 184 HG CYS 28 HG CYS 28 -7.563 -0.527 -2.324 185 H ILE 29 H ILE 29 -6.051 -4.795 -3.058 186 HA ILE 29 HA ILE 29 -4.969 -3.990 -5.669 187 HB ILE 29 HB ILE 29 -5.470 -6.456 -6.304 188 HG12 ILE 29 2HG1 ILE 29 -4.981 -6.737 -3.335 189 HG13 ILE 29 1HG1 ILE 29 -6.540 -6.987 -4.118 190 HG21 ILE 29 1HG2 ILE 29 -3.256 -5.458 -6.356 191 HG22 ILE 29 2HG2 ILE 29 -3.172 -7.091 -5.691 192 HG23 ILE 29 3HG2 ILE 29 -3.090 -5.696 -4.618 193 HD11 ILE 29 3HD1 ILE 29 -4.041 -8.589 -4.634 194 HD12 ILE 29 1HD1 ILE 29 -5.620 -8.859 -5.376 195 HD13 ILE 29 2HD1 ILE 29 -5.407 -9.095 -3.641 196 H LEU 30 H LEU 30 -6.454 -3.221 -6.941 197 HA LEU 30 HA LEU 30 -9.264 -3.806 -6.468 198 HB2 LEU 30 2HB LEU 30 -7.916 -1.761 -8.239 199 HB3 LEU 30 1HB LEU 30 -9.649 -1.981 -8.129 200 HG LEU 30 HG LEU 30 -9.342 -1.488 -5.610 201 HD11 LEU 30 1HD1 LEU 30 -7.459 -0.031 -5.083 202 HD12 LEU 30 2HD1 LEU 30 -6.790 -0.310 -6.691 203 HD13 LEU 30 3HD1 LEU 30 -6.919 -1.645 -5.547 204 HD21 LEU 30 3HD2 LEU 30 -8.958 0.659 -7.689 205 HD22 LEU 30 1HD2 LEU 30 -9.515 0.918 -6.037 206 HD23 LEU 30 2HD2 LEU 30 -10.498 -0.021 -7.162 207 H GLY 31 H GLY 31 -9.800 -5.688 -7.424 208 HA2 GLY 31 2HA GLY 31 -8.604 -6.351 -10.005 209 HA3 GLY 31 1HA GLY 31 -9.499 -7.450 -8.963 210 H ARG 32 H ARG 32 -11.412 -7.983 -9.629 211 HA ARG 32 HA ARG 32 -13.144 -6.133 -11.023 212 HB2 ARG 32 2HB ARG 32 -11.950 -8.552 -12.388 213 HB3 ARG 32 1HB ARG 32 -13.454 -7.816 -12.923 214 HG2 ARG 32 2HG ARG 32 -12.370 -5.797 -13.509 215 HG3 ARG 32 1HG ARG 32 -10.878 -6.280 -12.700 216 HD2 ARG 32 2HD ARG 32 -12.075 -7.664 -15.096 217 HD3 ARG 32 1HD ARG 32 -10.772 -6.478 -15.165 218 HE ARG 32 HE ARG 32 -10.017 -8.501 -13.381 219 HH11 ARG 32 1HH1 ARG 32 -10.645 -8.107 -16.815 220 HH12 ARG 32 2HH1 ARG 32 -9.505 -9.327 -17.292 221 HH21 ARG 32 1HH2 ARG 32 -8.513 -10.098 -14.008 222 HH22 ARG 32 2HH2 ARG 32 -8.301 -10.462 -15.693 223 H GLY 33 H GLY 33 -15.283 -7.164 -11.492 224 HA2 GLY 33 2HA GLY 33 -17.092 -8.414 -10.823 225 HA3 GLY 33 1HA GLY 33 -15.966 -9.665 -10.332 226 H ASP 34 H ASP 34 -16.352 -10.215 -8.305 227 HA ASP 34 HA ASP 34 -17.275 -8.224 -6.390 228 HB2 ASP 34 2HB ASP 34 -17.741 -10.039 -4.919 229 HB3 ASP 34 1HB ASP 34 -18.233 -10.576 -6.521 230 H SER 35 H SER 35 -14.384 -9.522 -7.490 231 HA SER 35 HA SER 35 -12.965 -9.038 -4.968 232 HB2 SER 35 2HB SER 35 -12.675 -11.162 -6.441 233 HB3 SER 35 1HB SER 35 -11.739 -10.115 -7.505 234 HG SER 35 HG SER 35 -11.241 -10.593 -4.741 235 H LYS 36 H LYS 36 -13.819 -6.730 -5.788 236 HA LYS 36 HA LYS 36 -12.001 -5.598 -7.768 237 HB2 LYS 36 2HB LYS 36 -13.615 -3.574 -7.477 238 HB3 LYS 36 1HB LYS 36 -14.117 -4.981 -8.394 239 HG2 LYS 36 2HG LYS 36 -15.944 -4.297 -7.041 240 HG3 LYS 36 1HG LYS 36 -15.322 -5.799 -6.367 241 HD2 LYS 36 2HD LYS 36 -14.143 -4.543 -4.636 242 HD3 LYS 36 1HD LYS 36 -14.717 -3.027 -5.336 243 HE2 LYS 36 2HE LYS 36 -17.028 -3.701 -4.892 244 HE3 LYS 36 1HE LYS 36 -16.457 -5.216 -4.195 245 HZ1 LYS 36 3HZ LYS 36 -16.984 -3.559 -2.501 246 HZ2 LYS 36 1HZ LYS 36 -15.833 -2.504 -3.151 247 HZ3 LYS 36 2HZ LYS 36 -15.340 -3.975 -2.463 248 H ASN 37 H ASN 37 -12.286 -5.731 -4.419 249 HA ASN 37 HA ASN 37 -10.176 -3.789 -4.071 250 HB2 ASN 37 2HB ASN 37 -12.908 -3.066 -3.573 251 HB3 ASN 37 1HB ASN 37 -12.060 -3.157 -2.032 252 HD21 ASN 37 1HD2 ASN 37 -10.293 -1.823 -1.671 253 HD22 ASN 37 2HD2 ASN 37 -10.043 -0.397 -2.599 254 H GLN 38 H GLN 38 -8.761 -4.835 -2.799 255 HA GLN 38 HA GLN 38 -9.742 -6.090 -0.370 256 HB2 GLN 38 2HB GLN 38 -9.865 -7.921 -1.967 257 HB3 GLN 38 1HB GLN 38 -8.212 -7.631 -2.480 258 HG2 GLN 38 2HG GLN 38 -8.262 -9.554 -1.064 259 HG3 GLN 38 1HG GLN 38 -7.441 -8.257 -0.217 260 HE21 GLN 38 1HE2 GLN 38 -8.204 -7.602 1.710 261 HE22 GLN 38 2HE2 GLN 38 -9.635 -8.211 2.464 262 H CYS 39 H CYS 39 -8.348 -6.003 1.273 263 HA CYS 39 HA CYS 39 -5.721 -4.852 0.820 264 HB2 CYS 39 2HB CYS 39 -7.301 -5.446 3.311 265 HB3 CYS 39 1HB CYS 39 -5.638 -4.889 3.357 266 HG CYS 39 HG CYS 39 -8.076 -3.088 1.786 267 H VAL 40 H VAL 40 -4.581 -6.537 -0.123 268 HA VAL 40 HA VAL 40 -4.360 -9.061 1.294 269 HB VAL 40 HB VAL 40 -4.470 -8.810 -1.244 270 HG11 VAL 40 1HG1 VAL 40 -2.358 -8.416 -2.410 271 HG12 VAL 40 2HG1 VAL 40 -1.602 -7.988 -0.875 272 HG13 VAL 40 3HG1 VAL 40 -2.909 -6.995 -1.521 273 HG21 VAL 40 3HG2 VAL 40 -2.885 -10.660 -1.636 274 HG22 VAL 40 1HG2 VAL 40 -3.891 -10.917 -0.210 275 HG23 VAL 40 2HG2 VAL 40 -2.215 -10.399 -0.027 276 H THR 41 H THR 41 -2.259 -9.883 1.955 277 HA THR 41 HA THR 41 -0.768 -7.752 3.240 278 HB THR 41 HB THR 41 0.428 -9.671 4.372 279 HG1 THR 41 HG1 THR 41 -1.668 -11.194 3.156 280 HG21 THR 41 3HG2 THR 41 -2.575 -9.520 4.663 281 HG22 THR 41 1HG2 THR 41 -1.401 -8.468 5.451 282 HG23 THR 41 2HG2 THR 41 -1.459 -10.183 5.859 283 H GLY 42 H GLY 42 1.164 -7.085 2.721 284 HA2 GLY 42 2HA GLY 42 3.306 -8.491 1.705 285 HA3 GLY 42 1HA GLY 42 2.424 -7.907 0.298 286 H GLU 43 H GLU 43 3.534 -6.202 -0.472 287 HA GLU 43 HA GLU 43 3.799 -3.939 1.367 288 HB2 GLU 43 2HB GLU 43 5.937 -3.298 0.242 289 HB3 GLU 43 1HB GLU 43 6.044 -4.752 1.223 290 HG2 GLU 43 2HG GLU 43 5.989 -6.138 -0.735 291 HG3 GLU 43 1HG GLU 43 5.714 -4.733 -1.765 292 H GLY 44 H GLY 44 2.588 -2.371 0.641 293 HA2 GLY 44 2HA GLY 44 1.907 -2.279 -2.190 294 HA3 GLY 44 1HA GLY 44 1.123 -1.380 -0.901 295 H THR 45 H THR 45 1.242 0.577 -1.869 296 HA THR 45 HA THR 45 3.822 1.888 -1.817 297 HB THR 45 HB THR 45 2.673 0.959 -4.260 298 HG1 THR 45 HG1 THR 45 4.861 1.006 -4.084 299 HG21 THR 45 3HG2 THR 45 1.362 3.016 -4.345 300 HG22 THR 45 1HG2 THR 45 2.614 3.015 -5.586 301 HG23 THR 45 2HG2 THR 45 2.828 3.969 -4.118 302 HA PRO 46 HA PRO 46 1.265 5.212 -0.312 303 HB2 PRO 46 2HB PRO 46 3.231 7.002 -1.618 304 HB3 PRO 46 1HB PRO 46 2.734 6.920 0.076 305 HG2 PRO 46 2HG PRO 46 5.130 6.030 -0.704 306 HG3 PRO 46 1HG PRO 46 4.206 5.201 0.563 307 HD2 PRO 46 2HD PRO 46 4.554 4.463 -2.318 308 HD3 PRO 46 1HD PRO 46 4.533 3.418 -0.882 309 H LYS 47 H LYS 47 -0.564 5.626 -1.344 310 HA LYS 47 HA LYS 47 -0.689 6.096 -4.178 311 HB2 LYS 47 2HB LYS 47 -2.425 4.801 -2.923 312 HB3 LYS 47 1HB LYS 47 -2.874 6.286 -2.089 313 HG2 LYS 47 2HG LYS 47 -2.942 7.014 -4.729 314 HG3 LYS 47 1HG LYS 47 -3.539 5.357 -4.744 315 HD2 LYS 47 2HD LYS 47 -5.323 5.871 -3.294 316 HD3 LYS 47 1HD LYS 47 -4.610 7.423 -2.840 317 HE2 LYS 47 2HE LYS 47 -4.888 8.157 -5.202 318 HE3 LYS 47 1HE LYS 47 -5.738 6.652 -5.526 319 HZ1 LYS 47 3HZ LYS 47 -7.437 7.274 -3.970 320 HZ2 LYS 47 1HZ LYS 47 -7.252 8.512 -5.110 321 HZ3 LYS 47 2HZ LYS 47 -6.611 8.690 -3.546 322 HA PRO 48 HA PRO 48 -0.279 10.560 -3.546 323 HB2 PRO 48 2HB PRO 48 -0.835 10.554 -6.447 324 HB3 PRO 48 1HB PRO 48 0.513 11.268 -5.555 325 HG2 PRO 48 2HG PRO 48 0.845 9.070 -7.054 326 HG3 PRO 48 1HG PRO 48 1.710 9.280 -5.520 327 HD2 PRO 48 2HD PRO 48 -0.718 7.629 -6.116 328 HD3 PRO 48 1HD PRO 48 0.685 7.241 -5.097 329 H GLN 49 H GLN 49 -1.732 12.023 -3.208 330 HA GLN 49 HA GLN 49 -4.392 11.871 -4.374 331 HB2 GLN 49 2HB GLN 49 -5.263 11.935 -1.887 332 HB3 GLN 49 1HB GLN 49 -4.907 10.409 -2.676 333 HG2 GLN 49 2HG GLN 49 -2.618 10.537 -1.646 334 HG3 GLN 49 1HG GLN 49 -3.223 11.872 -0.675 335 HE21 GLN 49 1HE2 GLN 49 -2.236 9.277 0.124 336 HE22 GLN 49 2HE2 GLN 49 -3.504 8.515 1.023 337 H SER 50 H SER 50 -2.005 13.382 -2.370 338 HA SER 50 HA SER 50 -3.349 15.968 -2.843 339 HB2 SER 50 2HB SER 50 -2.033 16.764 -0.824 340 HB3 SER 50 1HB SER 50 -3.321 15.610 -0.475 341 HG SER 50 HG SER 50 -1.275 14.108 -0.908 342 H HIS 51 H HIS 51 -2.199 17.485 -3.925 343 HA HIS 51 HA HIS 51 0.197 16.701 -5.245 344 HB2 HIS 51 2HB HIS 51 -1.269 19.328 -5.095 345 HB3 HIS 51 1HB HIS 51 0.206 19.120 -6.025 346 HD1 HIS 51 HD1 HIS 51 -1.611 19.930 -7.923 347 HD2 HIS 51 HD2 HIS 51 -1.898 16.025 -6.519 348 HE1 HIS 51 HE1 HIS 51 -2.956 18.684 -9.645 349 HE2 HIS 51 HE2 HIS 51 -3.275 16.376 -8.685 Start of MODEL 2 1 H1 VAL 1 1H VAL 1 -5.562 12.905 8.416 2 H2 VAL 1 2H VAL 1 -5.027 11.890 9.660 3 H3 VAL 1 3H VAL 1 -6.690 12.122 9.409 4 HA VAL 1 HA VAL 1 -4.805 10.805 7.541 5 HB VAL 1 HB VAL 1 -6.198 8.770 7.999 6 HG11 VAL 1 1HG1 VAL 1 -3.995 9.027 8.982 7 HG12 VAL 1 2HG1 VAL 1 -5.081 8.242 10.129 8 HG13 VAL 1 3HG1 VAL 1 -4.675 9.948 10.322 9 HG21 VAL 1 3HG2 VAL 1 -7.503 8.686 10.069 10 HG22 VAL 1 1HG2 VAL 1 -8.160 9.882 8.952 11 HG23 VAL 1 2HG2 VAL 1 -7.197 10.403 10.335 12 H VAL 2 H VAL 2 -6.129 12.919 6.545 13 HA VAL 2 HA VAL 2 -8.695 12.040 5.488 14 HB VAL 2 HB VAL 2 -7.219 14.631 4.972 15 HG11 VAL 2 1HG1 VAL 2 -10.099 13.872 4.485 16 HG12 VAL 2 2HG1 VAL 2 -8.860 14.093 3.248 17 HG13 VAL 2 3HG1 VAL 2 -9.390 15.465 4.222 18 HG21 VAL 2 3HG2 VAL 2 -8.726 15.624 6.615 19 HG22 VAL 2 1HG2 VAL 2 -7.752 14.348 7.344 20 HG23 VAL 2 2HG2 VAL 2 -9.439 14.041 6.930 21 H TYR 3 H TYR 3 -8.081 10.347 4.166 22 HA TYR 3 HA TYR 3 -6.691 11.133 1.684 23 HB2 TYR 3 2HB TYR 3 -7.193 8.308 2.643 24 HB3 TYR 3 1HB TYR 3 -6.171 8.814 1.308 25 HD1 TYR 3 HD2 TYR 3 -4.126 10.351 1.991 26 HD2 TYR 3 HD1 TYR 3 -6.237 7.804 4.663 27 HE1 TYR 3 HE2 TYR 3 -2.176 10.310 3.492 28 HE2 TYR 3 HE1 TYR 3 -4.291 7.748 6.157 29 HH TYR 3 HH TYR 3 -1.939 8.093 6.121 30 H THR 4 H THR 4 -7.560 9.493 -0.129 31 HA THR 4 HA THR 4 -10.467 9.249 0.122 32 HB THR 4 HB THR 4 -10.366 9.304 -2.483 33 HG1 THR 4 HG1 THR 4 -8.195 11.051 -2.061 34 HG21 THR 4 3HG2 THR 4 -11.532 10.976 -1.156 35 HG22 THR 4 1HG2 THR 4 -10.663 11.748 -2.479 36 HG23 THR 4 2HG2 THR 4 -10.012 11.814 -0.840 37 H ASP 5 H ASP 5 -10.613 7.691 -2.341 38 HA ASP 5 HA ASP 5 -9.829 5.206 -1.077 39 HB2 ASP 5 2HB ASP 5 -11.365 5.665 -3.653 40 HB3 ASP 5 1HB ASP 5 -11.175 4.124 -2.830 41 H CYS 6 H CYS 6 -8.805 3.492 -2.339 42 HA CYS 6 HA CYS 6 -6.432 4.304 -3.607 43 HB2 CYS 6 2HB CYS 6 -7.725 1.598 -3.895 44 HB3 CYS 6 1HB CYS 6 -6.014 1.998 -3.990 45 HG CYS 6 HG CYS 6 -5.529 2.185 -1.384 46 H THR 7 H THR 7 -5.866 4.520 -5.712 47 HA THR 7 HA THR 7 -8.069 4.402 -7.651 48 HB THR 7 HB THR 7 -6.902 6.592 -7.183 49 HG1 THR 7 HG1 THR 7 -6.610 5.791 -9.904 50 HG21 THR 7 3HG2 THR 7 -4.754 7.001 -8.273 51 HG22 THR 7 1HG2 THR 7 -4.658 5.298 -8.723 52 HG23 THR 7 2HG2 THR 7 -4.615 5.764 -7.023 53 H GLU 8 H GLU 8 -5.191 2.924 -6.733 54 HA GLU 8 HA GLU 8 -4.998 1.480 -9.268 55 HB2 GLU 8 2HB GLU 8 -2.841 3.022 -7.874 56 HB3 GLU 8 1HB GLU 8 -2.430 1.643 -8.872 57 HG2 GLU 8 2HG GLU 8 -4.084 3.932 -9.887 58 HG3 GLU 8 1HG GLU 8 -2.323 3.932 -9.949 59 H SER 9 H SER 9 -3.951 -0.567 -9.098 60 HA SER 9 HA SER 9 -4.368 -1.801 -6.498 61 HB2 SER 9 2HB SER 9 -3.530 -3.066 -9.123 62 HB3 SER 9 1HB SER 9 -4.143 -3.904 -7.693 63 HG SER 9 HG SER 9 -5.515 -2.191 -9.478 64 H GLY 10 H GLY 10 -2.770 -2.332 -5.134 65 HA2 GLY 10 2HA GLY 10 -0.493 -3.055 -4.701 66 HA3 GLY 10 1HA GLY 10 0.011 -2.141 -6.120 67 H GLN 11 H GLN 11 -2.182 -0.229 -4.884 68 HA GLN 11 HA GLN 11 -0.263 1.396 -3.415 69 HB2 GLN 11 2HB GLN 11 -2.703 1.873 -4.934 70 HB3 GLN 11 1HB GLN 11 -2.742 2.691 -3.373 71 HG2 GLN 11 2HG GLN 11 -1.466 4.266 -4.159 72 HG3 GLN 11 1HG GLN 11 -0.183 3.113 -4.477 73 HE21 GLN 11 1HE2 GLN 11 -2.800 4.954 -5.797 74 HE22 GLN 11 2HE2 GLN 11 -2.391 4.724 -7.461 75 H ASN 12 H ASN 12 -0.873 2.310 -1.289 76 HA ASN 12 HA ASN 12 -2.705 0.536 0.154 77 HB2 ASN 12 2HB ASN 12 -1.081 0.757 2.137 78 HB3 ASN 12 1HB ASN 12 -0.757 -0.414 0.872 79 HD21 ASN 12 1HD2 ASN 12 1.395 -0.456 1.513 80 HD22 ASN 12 2HD2 ASN 12 2.498 0.801 1.067 81 H LEU 13 H LEU 13 -0.800 3.480 0.711 82 HA LEU 13 HA LEU 13 -2.252 4.440 2.893 83 HB2 LEU 13 2HB LEU 13 -0.597 5.938 0.869 84 HB3 LEU 13 1HB LEU 13 -1.169 6.623 2.377 85 HG LEU 13 HG LEU 13 0.663 4.227 2.202 86 HD11 LEU 13 1HD1 LEU 13 2.435 5.772 2.890 87 HD12 LEU 13 2HD1 LEU 13 1.310 7.122 2.750 88 HD13 LEU 13 3HD1 LEU 13 1.770 6.205 1.315 89 HD21 LEU 13 3HD2 LEU 13 1.015 4.621 4.572 90 HD22 LEU 13 1HD2 LEU 13 -0.699 4.364 4.246 91 HD23 LEU 13 2HD2 LEU 13 -0.090 5.994 4.528 92 H CYS 14 H CYS 14 -4.339 3.831 1.689 93 HA CYS 14 HA CYS 14 -5.760 6.294 1.168 94 HB2 CYS 14 2HB CYS 14 -6.779 4.892 -0.914 95 HB3 CYS 14 1HB CYS 14 -5.483 6.057 -1.086 96 HG CYS 14 HG CYS 14 -4.148 3.185 -0.302 97 H LEU 15 H LEU 15 -8.214 5.747 0.980 98 HA LEU 15 HA LEU 15 -8.822 3.715 2.960 99 HB2 LEU 15 2HB LEU 15 -11.073 4.866 1.441 100 HB3 LEU 15 1HB LEU 15 -10.885 4.623 3.162 101 HG LEU 15 HG LEU 15 -9.641 6.900 1.612 102 HD11 LEU 15 1HD1 LEU 15 -12.060 7.090 1.632 103 HD12 LEU 15 2HD1 LEU 15 -11.341 8.289 2.708 104 HD13 LEU 15 3HD1 LEU 15 -12.084 6.836 3.377 105 HD21 LEU 15 3HD2 LEU 15 -9.200 7.853 3.811 106 HD22 LEU 15 1HD2 LEU 15 -8.395 6.296 3.632 107 HD23 LEU 15 2HD2 LEU 15 -9.876 6.419 4.583 108 H CYS 16 H CYS 16 -8.891 1.691 2.362 109 HA CYS 16 HA CYS 16 -9.599 1.031 -0.370 110 HB2 CYS 16 2HB CYS 16 -7.525 0.072 0.374 111 HB3 CYS 16 1HB CYS 16 -8.288 -0.575 1.817 112 HG CYS 16 HG CYS 16 -8.532 -1.701 -1.384 113 H GLU 17 H GLU 17 -10.073 -0.735 2.646 114 HA GLU 17 HA GLU 17 -12.531 -1.842 1.584 115 HB2 GLU 17 2HB GLU 17 -10.595 -2.851 3.170 116 HB3 GLU 17 1HB GLU 17 -11.799 -2.359 4.349 117 HG2 GLU 17 2HG GLU 17 -12.395 -4.152 2.012 118 HG3 GLU 17 1HG GLU 17 -11.949 -4.745 3.611 119 H GLY 18 H GLY 18 -14.291 -0.826 1.838 120 HA2 GLY 18 2HA GLY 18 -15.865 0.708 2.524 121 HA3 GLY 18 1HA GLY 18 -15.516 0.075 4.126 122 H SER 19 H SER 19 -14.184 1.207 5.497 123 HA SER 19 HA SER 19 -13.317 3.872 4.592 124 HB2 SER 19 2HB SER 19 -13.582 4.260 7.205 125 HB3 SER 19 1HB SER 19 -14.960 4.423 6.113 126 HG SER 19 HG SER 19 -14.359 2.432 7.986 127 H ASN 20 H ASN 20 -12.158 0.937 5.335 128 HA ASN 20 HA ASN 20 -10.198 1.479 7.306 129 HB2 ASN 20 2HB ASN 20 -10.498 -0.727 5.282 130 HB3 ASN 20 1HB ASN 20 -9.116 -0.644 6.371 131 HD21 ASN 20 1HD2 ASN 20 -12.552 -1.104 6.128 132 HD22 ASN 20 2HD2 ASN 20 -12.772 -1.741 7.720 133 H VAL 21 H VAL 21 -8.380 2.447 7.187 134 HA VAL 21 HA VAL 21 -7.361 3.360 4.615 135 HB VAL 21 HB VAL 21 -6.252 3.919 7.378 136 HG11 VAL 21 1HG1 VAL 21 -5.826 5.286 4.726 137 HG12 VAL 21 2HG1 VAL 21 -4.651 4.314 5.612 138 HG13 VAL 21 3HG1 VAL 21 -5.202 5.853 6.274 139 HG21 VAL 21 3HG2 VAL 21 -8.202 5.541 5.756 140 HG22 VAL 21 1HG2 VAL 21 -7.422 6.075 7.242 141 HG23 VAL 21 2HG2 VAL 21 -8.538 4.710 7.274 142 H CYS 22 H CYS 22 -6.159 1.877 3.575 143 HA CYS 22 HA CYS 22 -4.544 -0.031 4.972 144 HB2 CYS 22 2HB CYS 22 -5.496 0.245 2.328 145 HB3 CYS 22 1HB CYS 22 -3.739 0.270 2.222 146 HG CYS 22 HG CYS 22 -5.663 -2.203 3.581 147 H GLY 23 H GLY 23 -2.278 -0.143 5.001 148 HA2 GLY 23 2HA GLY 23 -0.819 2.286 4.277 149 HA3 GLY 23 1HA GLY 23 -0.772 1.764 5.958 150 H GLN 24 H GLN 24 1.443 1.317 5.980 151 HA GLN 24 HA GLN 24 2.492 -0.424 3.902 152 HB2 GLN 24 2HB GLN 24 3.778 1.571 4.741 153 HB3 GLN 24 1HB GLN 24 3.984 0.719 6.266 154 HG2 GLN 24 2HG GLN 24 5.189 -1.051 5.163 155 HG3 GLN 24 1HG GLN 24 4.908 -0.305 3.594 156 HE21 GLN 24 1HE2 GLN 24 5.675 1.524 6.467 157 HE22 GLN 24 2HE2 GLN 24 7.273 1.993 5.974 158 H GLY 25 H GLY 25 3.084 -2.496 4.177 159 HA2 GLY 25 2HA GLY 25 3.339 -4.490 5.471 160 HA3 GLY 25 1HA GLY 25 2.347 -3.760 6.733 161 H ASN 26 H ASN 26 0.854 -2.731 4.187 162 HA ASN 26 HA ASN 26 -0.544 -5.199 3.457 163 HB2 ASN 26 2HB ASN 26 -1.872 -2.556 4.117 164 HB3 ASN 26 1HB ASN 26 -2.685 -3.961 3.437 165 HD21 ASN 26 1HD2 ASN 26 -1.334 -2.538 6.275 166 HD22 ASN 26 2HD2 ASN 26 -1.917 -3.721 7.394 167 H LYS 27 H LYS 27 -1.841 -4.854 1.446 168 HA LYS 27 HA LYS 27 -0.957 -2.679 -0.251 169 HB2 LYS 27 2HB LYS 27 0.772 -4.351 -0.597 170 HB3 LYS 27 1HB LYS 27 -0.439 -5.589 -0.892 171 HG2 LYS 27 2HG LYS 27 -0.889 -4.838 -3.003 172 HG3 LYS 27 1HG LYS 27 -0.403 -3.181 -2.635 173 HD2 LYS 27 2HD LYS 27 1.200 -4.278 -4.127 174 HD3 LYS 27 1HD LYS 27 1.931 -3.856 -2.579 175 HE2 LYS 27 2HE LYS 27 2.696 -6.029 -3.108 176 HE3 LYS 27 1HE LYS 27 1.479 -6.222 -1.847 177 HZ1 LYS 27 3HZ LYS 27 1.291 -7.846 -3.671 178 HZ2 LYS 27 1HZ LYS 27 0.959 -6.582 -4.751 179 HZ3 LYS 27 2HZ LYS 27 -0.112 -6.923 -3.480 180 H CYS 28 H CYS 28 -2.804 -1.942 -1.194 181 HA CYS 28 HA CYS 28 -5.121 -3.699 -1.229 182 HB2 CYS 28 2HB CYS 28 -5.581 -1.510 -0.374 183 HB3 CYS 28 1HB CYS 28 -4.816 -0.749 -1.762 184 HG CYS 28 HG CYS 28 -7.315 -0.193 -2.377 185 H ILE 29 H ILE 29 -5.767 -4.740 -2.943 186 HA ILE 29 HA ILE 29 -5.012 -3.723 -5.592 187 HB ILE 29 HB ILE 29 -5.229 -6.129 -6.367 188 HG12 ILE 29 2HG1 ILE 29 -4.919 -6.665 -3.405 189 HG13 ILE 29 1HG1 ILE 29 -6.381 -6.959 -4.342 190 HG21 ILE 29 1HG2 ILE 29 -2.939 -6.677 -5.758 191 HG22 ILE 29 2HG2 ILE 29 -2.981 -5.478 -4.466 192 HG23 ILE 29 3HG2 ILE 29 -3.085 -4.962 -6.149 193 HD11 ILE 29 3HD1 ILE 29 -5.189 -8.605 -5.687 194 HD12 ILE 29 1HD1 ILE 29 -5.141 -9.007 -3.971 195 HD13 ILE 29 2HD1 ILE 29 -3.724 -8.307 -4.752 196 H LEU 30 H LEU 30 -6.652 -3.142 -6.783 197 HA LEU 30 HA LEU 30 -9.346 -3.576 -5.950 198 HB2 LEU 30 2HB LEU 30 -8.169 -2.266 -8.402 199 HB3 LEU 30 1HB LEU 30 -9.893 -2.385 -8.113 200 HG LEU 30 HG LEU 30 -9.435 -1.147 -5.915 201 HD11 LEU 30 1HD1 LEU 30 -7.464 0.306 -5.925 202 HD12 LEU 30 2HD1 LEU 30 -6.869 -0.526 -7.361 203 HD13 LEU 30 3HD1 LEU 30 -7.032 -1.402 -5.839 204 HD21 LEU 30 3HD2 LEU 30 -9.519 1.024 -7.037 205 HD22 LEU 30 1HD2 LEU 30 -10.583 -0.151 -7.812 206 HD23 LEU 30 2HD2 LEU 30 -9.033 0.257 -8.550 207 H GLY 31 H GLY 31 -9.648 -5.799 -6.031 208 HA2 GLY 31 2HA GLY 31 -10.997 -7.202 -7.564 209 HA3 GLY 31 1HA GLY 31 -9.683 -6.972 -8.690 210 H ARG 32 H ARG 32 -10.984 -9.003 -6.486 211 HA ARG 32 HA ARG 32 -8.665 -10.734 -6.546 212 HB2 ARG 32 2HB ARG 32 -8.480 -9.201 -4.489 213 HB3 ARG 32 1HB ARG 32 -9.876 -10.064 -3.864 214 HG2 ARG 32 2HG ARG 32 -7.871 -10.989 -2.924 215 HG3 ARG 32 1HG ARG 32 -8.603 -12.169 -4.014 216 HD2 ARG 32 2HD ARG 32 -7.000 -11.765 -5.693 217 HD3 ARG 32 1HD ARG 32 -6.431 -10.293 -4.906 218 HE ARG 32 HE ARG 32 -6.077 -12.584 -3.243 219 HH11 ARG 32 1HH1 ARG 32 -4.694 -10.928 -6.015 220 HH12 ARG 32 2HH1 ARG 32 -3.084 -11.501 -5.704 221 HH21 ARG 32 1HH2 ARG 32 -3.973 -13.322 -2.836 222 HH22 ARG 32 2HH2 ARG 32 -2.672 -12.867 -3.903 223 H GLY 33 H GLY 33 -10.194 -11.859 -7.881 224 HA2 GLY 33 2HA GLY 33 -11.640 -13.662 -8.134 225 HA3 GLY 33 1HA GLY 33 -11.913 -13.649 -6.396 226 H ASP 34 H ASP 34 -13.565 -12.411 -5.529 227 HA ASP 34 HA ASP 34 -15.299 -11.050 -7.484 228 HB2 ASP 34 2HB ASP 34 -17.237 -11.675 -6.227 229 HB3 ASP 34 1HB ASP 34 -16.289 -13.137 -6.464 230 H SER 35 H SER 35 -13.027 -10.340 -5.507 231 HA SER 35 HA SER 35 -14.302 -8.362 -3.822 232 HB2 SER 35 2HB SER 35 -12.347 -9.722 -3.021 233 HB3 SER 35 1HB SER 35 -11.352 -8.924 -4.243 234 HG SER 35 HG SER 35 -12.813 -7.475 -2.288 235 H LYS 36 H LYS 36 -13.877 -6.168 -3.977 236 HA LYS 36 HA LYS 36 -13.436 -5.292 -6.736 237 HB2 LYS 36 2HB LYS 36 -14.619 -3.752 -4.413 238 HB3 LYS 36 1HB LYS 36 -14.558 -3.217 -6.085 239 HG2 LYS 36 2HG LYS 36 -16.711 -3.963 -5.982 240 HG3 LYS 36 1HG LYS 36 -15.902 -5.441 -6.503 241 HD2 LYS 36 2HD LYS 36 -15.812 -6.194 -4.159 242 HD3 LYS 36 1HD LYS 36 -16.671 -4.735 -3.669 243 HE2 LYS 36 2HE LYS 36 -18.236 -6.544 -3.811 244 HE3 LYS 36 1HE LYS 36 -18.552 -5.424 -5.135 245 HZ1 LYS 36 3HZ LYS 36 -17.351 -6.903 -6.624 246 HZ2 LYS 36 1HZ LYS 36 -18.632 -7.722 -5.876 247 HZ3 LYS 36 2HZ LYS 36 -17.044 -7.975 -5.349 248 H ASN 37 H ASN 37 -12.442 -4.650 -3.446 249 HA ASN 37 HA ASN 37 -9.792 -3.900 -4.289 250 HB2 ASN 37 2HB ASN 37 -9.892 -1.877 -2.763 251 HB3 ASN 37 1HB ASN 37 -10.757 -1.735 -4.285 252 HD21 ASN 37 1HD2 ASN 37 -11.068 -2.084 -0.845 253 HD22 ASN 37 2HD2 ASN 37 -12.728 -1.620 -0.754 254 H GLN 38 H GLN 38 -8.465 -5.042 -3.003 255 HA GLN 38 HA GLN 38 -9.521 -5.856 -0.371 256 HB2 GLN 38 2HB GLN 38 -9.536 -7.712 -1.992 257 HB3 GLN 38 1HB GLN 38 -7.812 -7.493 -2.253 258 HG2 GLN 38 2HG GLN 38 -7.833 -9.231 -0.762 259 HG3 GLN 38 1HG GLN 38 -7.649 -7.853 0.314 260 HE21 GLN 38 1HE2 GLN 38 -10.506 -7.100 -0.093 261 HE22 GLN 38 2HE2 GLN 38 -11.396 -8.210 0.893 262 H CYS 39 H CYS 39 -8.225 -5.656 1.342 263 HA CYS 39 HA CYS 39 -5.595 -4.500 0.984 264 HB2 CYS 39 2HB CYS 39 -7.303 -4.983 3.416 265 HB3 CYS 39 1HB CYS 39 -5.666 -4.356 3.506 266 HG CYS 39 HG CYS 39 -7.583 -2.614 1.414 267 H VAL 40 H VAL 40 -4.481 -6.294 0.137 268 HA VAL 40 HA VAL 40 -4.366 -8.736 1.710 269 HB VAL 40 HB VAL 40 -4.386 -8.553 -0.876 270 HG11 VAL 40 1HG1 VAL 40 -2.605 -6.950 -1.137 271 HG12 VAL 40 2HG1 VAL 40 -2.165 -8.470 -1.916 272 HG13 VAL 40 3HG1 VAL 40 -1.467 -8.045 -0.353 273 HG21 VAL 40 3HG2 VAL 40 -2.368 -10.332 0.485 274 HG22 VAL 40 1HG2 VAL 40 -3.079 -10.602 -1.105 275 HG23 VAL 40 2HG2 VAL 40 -4.096 -10.650 0.336 276 H THR 41 H THR 41 -2.115 -9.640 2.154 277 HA THR 41 HA THR 41 -0.691 -7.560 3.582 278 HB THR 41 HB THR 41 0.583 -9.498 4.560 279 HG1 THR 41 HG1 THR 41 -0.522 -11.583 4.212 280 HG21 THR 41 3HG2 THR 41 -1.266 -10.228 5.988 281 HG22 THR 41 1HG2 THR 41 -2.423 -9.567 4.832 282 HG23 THR 41 2HG2 THR 41 -1.333 -8.488 5.702 283 H GLY 42 H GLY 42 1.173 -6.786 3.102 284 HA2 GLY 42 2HA GLY 42 3.381 -7.936 1.985 285 HA3 GLY 42 1HA GLY 42 2.440 -7.371 0.605 286 H GLU 43 H GLU 43 3.725 -5.680 -0.022 287 HA GLU 43 HA GLU 43 3.561 -3.372 1.753 288 HB2 GLU 43 2HB GLU 43 6.098 -4.186 0.317 289 HB3 GLU 43 1HB GLU 43 5.852 -2.646 1.130 290 HG2 GLU 43 2HG GLU 43 5.316 -4.133 3.196 291 HG3 GLU 43 1HG GLU 43 6.192 -5.370 2.298 292 H GLY 44 H GLY 44 2.363 -1.993 0.711 293 HA2 GLY 44 2HA GLY 44 2.153 -2.130 -2.165 294 HA3 GLY 44 1HA GLY 44 1.156 -1.171 -1.081 295 H THR 45 H THR 45 1.384 0.591 -2.434 296 HA THR 45 HA THR 45 3.965 1.968 -2.234 297 HB THR 45 HB THR 45 2.585 2.769 -4.615 298 HG1 THR 45 HG1 THR 45 2.391 0.119 -4.103 299 HG21 THR 45 3HG2 THR 45 4.694 2.174 -5.690 300 HG22 THR 45 1HG2 THR 45 5.194 1.294 -4.245 301 HG23 THR 45 2HG2 THR 45 4.986 3.044 -4.184 302 HA PRO 46 HA PRO 46 1.497 5.359 -0.683 303 HB2 PRO 46 2HB PRO 46 3.501 6.982 -2.185 304 HB3 PRO 46 1HB PRO 46 2.974 7.127 -0.503 305 HG2 PRO 46 2HG PRO 46 5.344 6.066 -1.090 306 HG3 PRO 46 1HG PRO 46 4.345 5.395 0.214 307 HD2 PRO 46 2HD PRO 46 4.801 4.360 -2.553 308 HD3 PRO 46 1HD PRO 46 4.625 3.465 -1.029 309 H LYS 47 H LYS 47 -0.122 6.636 -1.583 310 HA LYS 47 HA LYS 47 -0.700 5.878 -4.303 311 HB2 LYS 47 2HB LYS 47 -2.377 5.584 -2.508 312 HB3 LYS 47 1HB LYS 47 -2.411 7.323 -2.260 313 HG2 LYS 47 2HG LYS 47 -2.992 7.339 -4.819 314 HG3 LYS 47 1HG LYS 47 -3.509 5.697 -4.469 315 HD2 LYS 47 2HD LYS 47 -5.155 6.387 -2.976 316 HD3 LYS 47 1HD LYS 47 -4.410 7.967 -2.736 317 HE2 LYS 47 2HE LYS 47 -4.971 8.477 -5.130 318 HE3 LYS 47 1HE LYS 47 -5.898 6.980 -5.164 319 HZ1 LYS 47 3HZ LYS 47 -7.334 7.815 -3.462 320 HZ2 LYS 47 1HZ LYS 47 -7.264 8.961 -4.707 321 HZ3 LYS 47 2HZ LYS 47 -6.399 9.216 -3.268 322 HA PRO 48 HA PRO 48 0.646 9.910 -5.777 323 HB2 PRO 48 2HB PRO 48 -0.142 8.743 -8.361 324 HB3 PRO 48 1HB PRO 48 1.417 9.396 -7.855 325 HG2 PRO 48 2HG PRO 48 1.043 6.762 -8.211 326 HG3 PRO 48 1HG PRO 48 2.112 7.391 -6.943 327 HD2 PRO 48 2HD PRO 48 -0.690 6.351 -6.716 328 HD3 PRO 48 1HD PRO 48 0.702 6.080 -5.647 329 H GLN 49 H GLN 49 -0.459 11.655 -6.471 330 HA GLN 49 HA GLN 49 -3.227 11.579 -7.215 331 HB2 GLN 49 2HB GLN 49 -3.903 12.729 -4.986 332 HB3 GLN 49 1HB GLN 49 -3.757 10.974 -5.017 333 HG2 GLN 49 2HG GLN 49 -1.471 11.196 -4.108 334 HG3 GLN 49 1HG GLN 49 -1.714 12.933 -3.983 335 HE21 GLN 49 1HE2 GLN 49 -1.148 10.913 -1.949 336 HE22 GLN 49 2HE2 GLN 49 -2.407 11.061 -0.772 337 H SER 50 H SER 50 -0.927 13.464 -5.337 338 HA SER 50 HA SER 50 -0.953 15.610 -7.273 339 HB2 SER 50 2HB SER 50 -2.826 16.158 -5.710 340 HB3 SER 50 1HB SER 50 -1.692 16.080 -4.364 341 HG SER 50 HG SER 50 -1.141 17.771 -6.548 342 H HIS 51 H HIS 51 0.938 16.931 -7.026 343 HA HIS 51 HA HIS 51 3.228 15.573 -6.506 344 HB2 HIS 51 2HB HIS 51 4.360 17.690 -6.632 345 HB3 HIS 51 1HB HIS 51 3.060 17.663 -7.792 346 HD1 HIS 51 HD1 HIS 51 4.558 20.179 -6.380 347 HD2 HIS 51 HD2 HIS 51 0.695 18.784 -5.696 348 HE1 HIS 51 HE1 HIS 51 3.281 22.133 -5.453 349 HE2 HIS 51 HE2 HIS 51 0.963 21.266 -4.997 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 -5.906 13.569 9.511 2 H2 VAL 1 2H VAL 1 -4.476 12.854 10.065 3 H3 VAL 1 3H VAL 1 -5.808 11.886 9.656 4 HA VAL 1 HA VAL 1 -4.261 13.574 7.775 5 HB VAL 1 HB VAL 1 -3.530 11.436 6.774 6 HG11 VAL 1 1HG1 VAL 1 -2.841 11.723 9.695 7 HG12 VAL 1 2HG1 VAL 1 -2.072 12.572 8.355 8 HG13 VAL 1 3HG1 VAL 1 -1.904 10.825 8.501 9 HG21 VAL 1 3HG2 VAL 1 -4.800 10.162 9.198 10 HG22 VAL 1 1HG2 VAL 1 -3.802 9.336 8.000 11 HG23 VAL 1 2HG2 VAL 1 -5.365 10.010 7.537 12 H VAL 2 H VAL 2 -5.012 13.554 5.618 13 HA VAL 2 HA VAL 2 -7.738 12.458 5.313 14 HB VAL 2 HB VAL 2 -6.687 14.995 4.046 15 HG11 VAL 2 1HG1 VAL 2 -9.016 15.334 3.358 16 HG12 VAL 2 2HG1 VAL 2 -9.441 13.768 4.052 17 HG13 VAL 2 3HG1 VAL 2 -8.341 13.853 2.678 18 HG21 VAL 2 3HG2 VAL 2 -8.228 16.178 5.533 19 HG22 VAL 2 1HG2 VAL 2 -7.007 15.293 6.446 20 HG23 VAL 2 2HG2 VAL 2 -8.644 14.654 6.314 21 H TYR 3 H TYR 3 -7.274 10.637 4.220 22 HA TYR 3 HA TYR 3 -5.641 10.853 1.793 23 HB2 TYR 3 2HB TYR 3 -6.511 8.435 3.391 24 HB3 TYR 3 1HB TYR 3 -5.663 8.338 1.850 25 HD1 TYR 3 HD2 TYR 3 -3.585 10.295 1.985 26 HD2 TYR 3 HD1 TYR 3 -5.084 7.813 5.099 27 HE1 TYR 3 HE2 TYR 3 -1.432 10.474 3.155 28 HE2 TYR 3 HE1 TYR 3 -2.931 7.985 6.277 29 HH TYR 3 HH TYR 3 -0.558 10.270 5.448 30 H THR 4 H THR 4 -6.578 8.823 0.294 31 HA THR 4 HA THR 4 -9.338 9.590 -0.297 32 HB THR 4 HB THR 4 -8.480 9.367 -2.777 33 HG1 THR 4 HG1 THR 4 -6.118 10.338 -1.503 34 HG21 THR 4 3HG2 THR 4 -9.447 11.405 -1.841 35 HG22 THR 4 1HG2 THR 4 -8.043 11.788 -2.838 36 HG23 THR 4 2HG2 THR 4 -7.906 11.802 -1.080 37 H ASP 5 H ASP 5 -9.872 8.027 -2.423 38 HA ASP 5 HA ASP 5 -9.721 5.386 -1.215 39 HB2 ASP 5 2HB ASP 5 -11.202 6.278 -3.705 40 HB3 ASP 5 1HB ASP 5 -11.392 4.734 -2.888 41 H CYS 6 H CYS 6 -8.837 3.582 -2.215 42 HA CYS 6 HA CYS 6 -6.499 3.995 -3.699 43 HB2 CYS 6 2HB CYS 6 -8.037 1.410 -3.631 44 HB3 CYS 6 1HB CYS 6 -6.309 1.634 -3.865 45 HG CYS 6 HG CYS 6 -8.078 1.975 -0.958 46 H THR 7 H THR 7 -6.066 4.079 -5.797 47 HA THR 7 HA THR 7 -8.332 3.800 -7.660 48 HB THR 7 HB THR 7 -5.801 5.389 -8.083 49 HG1 THR 7 HG1 THR 7 -8.183 6.021 -6.733 50 HG21 THR 7 3HG2 THR 7 -7.133 6.569 -9.778 51 HG22 THR 7 1HG2 THR 7 -8.518 5.538 -9.410 52 HG23 THR 7 2HG2 THR 7 -7.063 4.843 -10.123 53 H GLU 8 H GLU 8 -5.457 2.406 -6.675 54 HA GLU 8 HA GLU 8 -5.057 1.051 -9.231 55 HB2 GLU 8 2HB GLU 8 -3.030 2.573 -7.624 56 HB3 GLU 8 1HB GLU 8 -2.533 1.271 -8.684 57 HG2 GLU 8 2HG GLU 8 -3.475 2.438 -10.593 58 HG3 GLU 8 1HG GLU 8 -4.060 3.721 -9.533 59 H SER 9 H SER 9 -3.951 -0.926 -9.073 60 HA SER 9 HA SER 9 -4.355 -2.290 -6.539 61 HB2 SER 9 2HB SER 9 -3.458 -3.369 -9.227 62 HB3 SER 9 1HB SER 9 -3.920 -4.332 -7.821 63 HG SER 9 HG SER 9 -5.515 -2.788 -9.538 64 H GLY 10 H GLY 10 -2.778 -2.513 -5.127 65 HA2 GLY 10 2HA GLY 10 -0.462 -3.117 -4.665 66 HA3 GLY 10 1HA GLY 10 0.003 -2.225 -6.106 67 H GLN 11 H GLN 11 -2.374 -0.472 -4.706 68 HA GLN 11 HA GLN 11 -0.459 1.259 -3.324 69 HB2 GLN 11 2HB GLN 11 -2.976 1.680 -4.716 70 HB3 GLN 11 1HB GLN 11 -3.002 2.419 -3.112 71 HG2 GLN 11 2HG GLN 11 -1.964 4.132 -4.051 72 HG3 GLN 11 1HG GLN 11 -0.537 3.111 -4.077 73 HE21 GLN 11 1HE2 GLN 11 -3.014 4.609 -5.898 74 HE22 GLN 11 2HE2 GLN 11 -2.367 4.253 -7.463 75 H ASN 12 H ASN 12 -1.042 2.112 -1.148 76 HA ASN 12 HA ASN 12 -2.767 0.267 0.330 77 HB2 ASN 12 2HB ASN 12 -1.064 0.374 2.233 78 HB3 ASN 12 1HB ASN 12 -0.754 -0.707 0.888 79 HD21 ASN 12 1HD2 ASN 12 1.390 -0.730 1.549 80 HD22 ASN 12 2HD2 ASN 12 2.473 0.558 1.141 81 H LEU 13 H LEU 13 -0.791 3.172 0.852 82 HA LEU 13 HA LEU 13 -2.258 4.159 3.033 83 HB2 LEU 13 2HB LEU 13 -0.418 5.506 1.071 84 HB3 LEU 13 1HB LEU 13 -1.140 6.364 2.419 85 HG LEU 13 HG LEU 13 0.572 3.905 2.757 86 HD11 LEU 13 1HD1 LEU 13 1.373 6.807 2.971 87 HD12 LEU 13 2HD1 LEU 13 1.868 5.692 1.697 88 HD13 LEU 13 3HD1 LEU 13 2.385 5.414 3.359 89 HD21 LEU 13 3HD2 LEU 13 -0.224 6.062 4.706 90 HD22 LEU 13 1HD2 LEU 13 0.705 4.607 5.059 91 HD23 LEU 13 2HD2 LEU 13 -0.989 4.480 4.592 92 H CYS 14 H CYS 14 -4.280 3.545 1.731 93 HA CYS 14 HA CYS 14 -5.672 6.019 1.226 94 HB2 CYS 14 2HB CYS 14 -6.683 4.726 -0.890 95 HB3 CYS 14 1HB CYS 14 -5.302 5.802 -1.033 96 HG CYS 14 HG CYS 14 -5.205 2.382 -0.862 97 H LEU 15 H LEU 15 -8.082 5.570 1.125 98 HA LEU 15 HA LEU 15 -8.720 3.401 2.923 99 HB2 LEU 15 2HB LEU 15 -11.150 4.383 1.984 100 HB3 LEU 15 1HB LEU 15 -10.360 4.785 3.490 101 HG LEU 15 HG LEU 15 -9.738 6.353 1.005 102 HD11 LEU 15 1HD1 LEU 15 -12.174 6.337 1.226 103 HD12 LEU 15 2HD1 LEU 15 -11.507 7.919 1.626 104 HD13 LEU 15 3HD1 LEU 15 -12.028 6.833 2.912 105 HD21 LEU 15 3HD2 LEU 15 -9.245 8.102 2.628 106 HD22 LEU 15 1HD2 LEU 15 -8.322 6.643 2.994 107 HD23 LEU 15 2HD2 LEU 15 -9.754 7.046 3.947 108 H CYS 16 H CYS 16 -8.452 1.497 2.003 109 HA CYS 16 HA CYS 16 -9.166 0.895 -0.686 110 HB2 CYS 16 2HB CYS 16 -7.342 -0.315 0.277 111 HB3 CYS 16 1HB CYS 16 -8.313 -0.792 1.662 112 HG CYS 16 HG CYS 16 -8.619 -1.961 -1.536 113 H GLU 17 H GLU 17 -10.203 -0.880 2.166 114 HA GLU 17 HA GLU 17 -12.798 -1.365 0.970 115 HB2 GLU 17 2HB GLU 17 -11.373 -3.013 2.379 116 HB3 GLU 17 1HB GLU 17 -11.968 -2.104 3.762 117 HG2 GLU 17 2HG GLU 17 -14.268 -2.628 3.102 118 HG3 GLU 17 1HG GLU 17 -13.648 -3.580 1.752 119 H GLY 18 H GLY 18 -14.766 -0.766 1.983 120 HA2 GLY 18 2HA GLY 18 -15.986 1.204 2.624 121 HA3 GLY 18 1HA GLY 18 -15.766 0.242 4.070 122 H SER 19 H SER 19 -14.353 0.931 5.665 123 HA SER 19 HA SER 19 -13.262 3.643 5.301 124 HB2 SER 19 2HB SER 19 -13.526 3.775 7.844 125 HB3 SER 19 1HB SER 19 -15.008 3.840 6.891 126 HG SER 19 HG SER 19 -15.499 2.330 8.340 127 H ASN 20 H ASN 20 -12.171 0.784 5.035 128 HA ASN 20 HA ASN 20 -10.106 0.659 7.037 129 HB2 ASN 20 2HB ASN 20 -10.668 -0.930 4.545 130 HB3 ASN 20 1HB ASN 20 -9.216 -1.183 5.513 131 HD21 ASN 20 1HD2 ASN 20 -12.702 -1.256 5.544 132 HD22 ASN 20 2HD2 ASN 20 -12.853 -2.315 6.889 133 H VAL 21 H VAL 21 -8.858 2.356 6.951 134 HA VAL 21 HA VAL 21 -7.651 3.235 4.450 135 HB VAL 21 HB VAL 21 -7.119 4.255 7.252 136 HG11 VAL 21 1HG1 VAL 21 -6.552 5.474 4.552 137 HG12 VAL 21 2HG1 VAL 21 -5.357 4.792 5.656 138 HG13 VAL 21 3HG1 VAL 21 -6.255 6.241 6.112 139 HG21 VAL 21 3HG2 VAL 21 -9.044 5.283 5.172 140 HG22 VAL 21 1HG2 VAL 21 -8.642 6.103 6.680 141 HG23 VAL 21 2HG2 VAL 21 -9.467 4.544 6.715 142 H CYS 22 H CYS 22 -6.195 1.779 3.769 143 HA CYS 22 HA CYS 22 -4.639 0.249 5.635 144 HB2 CYS 22 2HB CYS 22 -5.411 0.018 2.859 145 HB3 CYS 22 1HB CYS 22 -3.678 -0.222 3.036 146 HG CYS 22 HG CYS 22 -6.195 -2.188 3.995 147 H GLY 23 H GLY 23 -2.298 0.027 5.438 148 HA2 GLY 23 2HA GLY 23 -0.931 2.423 4.477 149 HA3 GLY 23 1HA GLY 23 -0.784 2.017 6.182 150 H GLN 24 H GLN 24 1.259 1.312 6.432 151 HA GLN 24 HA GLN 24 2.510 -0.154 4.248 152 HB2 GLN 24 2HB GLN 24 3.775 1.670 5.259 153 HB3 GLN 24 1HB GLN 24 3.648 0.908 6.839 154 HG2 GLN 24 2HG GLN 24 5.050 -0.899 6.163 155 HG3 GLN 24 1HG GLN 24 5.021 -0.360 4.486 156 HE21 GLN 24 1HE2 GLN 24 5.285 1.918 7.094 157 HE22 GLN 24 2HE2 GLN 24 6.942 2.334 6.825 158 H GLY 25 H GLY 25 3.079 -2.237 4.313 159 HA2 GLY 25 2HA GLY 25 3.393 -4.346 5.367 160 HA3 GLY 25 1HA GLY 25 2.406 -3.790 6.714 161 H ASN 26 H ASN 26 0.729 -2.623 4.331 162 HA ASN 26 HA ASN 26 -0.568 -5.143 3.534 163 HB2 ASN 26 2HB ASN 26 -1.883 -2.519 4.266 164 HB3 ASN 26 1HB ASN 26 -2.715 -3.839 3.452 165 HD21 ASN 26 1HD2 ASN 26 -1.352 -2.715 6.430 166 HD22 ASN 26 2HD2 ASN 26 -2.012 -3.958 7.436 167 H LYS 27 H LYS 27 -1.795 -4.953 1.508 168 HA LYS 27 HA LYS 27 -1.078 -2.729 -0.224 169 HB2 LYS 27 2HB LYS 27 0.745 -4.294 -0.588 170 HB3 LYS 27 1HB LYS 27 -0.393 -5.609 -0.844 171 HG2 LYS 27 2HG LYS 27 -1.034 -4.820 -2.931 172 HG3 LYS 27 1HG LYS 27 -0.436 -3.192 -2.608 173 HD2 LYS 27 2HD LYS 27 1.024 -4.340 -4.179 174 HD3 LYS 27 1HD LYS 27 1.867 -4.031 -2.660 175 HE2 LYS 27 2HE LYS 27 2.372 -6.260 -3.474 176 HE3 LYS 27 1HE LYS 27 1.448 -6.350 -1.975 177 HZ1 LYS 27 3HZ LYS 27 0.244 -6.601 -4.676 178 HZ2 LYS 27 1HZ LYS 27 -0.506 -6.893 -3.185 179 HZ3 LYS 27 2HZ LYS 27 0.721 -7.925 -3.727 180 H CYS 28 H CYS 28 -2.930 -2.124 -1.214 181 HA CYS 28 HA CYS 28 -5.178 -3.965 -1.236 182 HB2 CYS 28 2HB CYS 28 -5.748 -1.773 -0.495 183 HB3 CYS 28 1HB CYS 28 -4.918 -1.024 -1.852 184 HG CYS 28 HG CYS 28 -6.764 -1.823 -3.763 185 H ILE 29 H ILE 29 -6.075 -4.852 -3.009 186 HA ILE 29 HA ILE 29 -5.006 -4.069 -5.622 187 HB ILE 29 HB ILE 29 -5.365 -6.530 -6.270 188 HG12 ILE 29 2HG1 ILE 29 -5.075 -6.801 -3.273 189 HG13 ILE 29 1HG1 ILE 29 -6.527 -7.174 -4.196 190 HG21 ILE 29 1HG2 ILE 29 -3.183 -5.455 -6.188 191 HG22 ILE 29 2HG2 ILE 29 -3.079 -7.104 -5.569 192 HG23 ILE 29 3HG2 ILE 29 -3.093 -5.741 -4.451 193 HD11 ILE 29 3HD1 ILE 29 -5.360 -8.972 -5.336 194 HD12 ILE 29 1HD1 ILE 29 -5.289 -9.185 -3.586 195 HD13 ILE 29 2HD1 ILE 29 -3.877 -8.582 -4.458 196 H LEU 30 H LEU 30 -6.450 -3.778 -7.163 197 HA LEU 30 HA LEU 30 -9.272 -4.171 -6.490 198 HB2 LEU 30 2HB LEU 30 -7.998 -2.386 -8.572 199 HB3 LEU 30 1HB LEU 30 -9.715 -2.478 -8.218 200 HG LEU 30 HG LEU 30 -7.677 -1.662 -6.165 201 HD11 LEU 30 1HD1 LEU 30 -8.331 0.660 -6.636 202 HD12 LEU 30 2HD1 LEU 30 -9.311 0.101 -7.992 203 HD13 LEU 30 3HD1 LEU 30 -7.559 -0.095 -8.031 204 HD21 LEU 30 3HD2 LEU 30 -9.828 -2.452 -5.321 205 HD22 LEU 30 1HD2 LEU 30 -10.658 -1.264 -6.325 206 HD23 LEU 30 2HD2 LEU 30 -9.603 -0.728 -5.016 207 H GLY 31 H GLY 31 -9.306 -6.353 -7.070 208 HA2 GLY 31 2HA GLY 31 -8.886 -6.935 -9.934 209 HA3 GLY 31 1HA GLY 31 -8.798 -8.127 -8.649 210 H ARG 32 H ARG 32 -10.563 -9.313 -8.225 211 HA ARG 32 HA ARG 32 -13.207 -8.386 -8.931 212 HB2 ARG 32 2HB ARG 32 -13.741 -10.089 -10.519 213 HB3 ARG 32 1HB ARG 32 -12.270 -9.309 -11.076 214 HG2 ARG 32 2HG ARG 32 -12.217 -11.858 -9.494 215 HG3 ARG 32 1HG ARG 32 -12.404 -11.843 -11.247 216 HD2 ARG 32 2HD ARG 32 -10.273 -10.838 -11.548 217 HD3 ARG 32 1HD ARG 32 -10.119 -10.489 -9.828 218 HE ARG 32 HE ARG 32 -10.391 -13.237 -10.048 219 HH11 ARG 32 1HH1 ARG 32 -8.148 -10.803 -11.214 220 HH12 ARG 32 2HH1 ARG 32 -6.759 -11.851 -11.117 221 HH21 ARG 32 1HH2 ARG 32 -8.567 -14.606 -9.893 222 HH22 ARG 32 2HH2 ARG 32 -6.997 -14.008 -10.348 223 H GLY 33 H GLY 33 -14.865 -10.138 -8.401 224 HA2 GLY 33 2HA GLY 33 -15.742 -11.674 -6.935 225 HA3 GLY 33 1HA GLY 33 -14.122 -12.318 -6.738 226 H ASP 34 H ASP 34 -13.411 -12.263 -4.750 227 HA ASP 34 HA ASP 34 -14.451 -10.258 -2.882 228 HB2 ASP 34 2HB ASP 34 -12.762 -12.732 -2.440 229 HB3 ASP 34 1HB ASP 34 -13.217 -11.609 -1.162 230 H SER 35 H SER 35 -11.845 -10.877 -4.896 231 HA SER 35 HA SER 35 -9.993 -9.218 -3.352 232 HB2 SER 35 2HB SER 35 -9.328 -11.494 -4.307 233 HB3 SER 35 1HB SER 35 -9.415 -10.745 -5.898 234 HG SER 35 HG SER 35 -7.288 -10.750 -4.970 235 H LYS 36 H LYS 36 -12.368 -8.238 -4.794 236 HA LYS 36 HA LYS 36 -11.430 -6.826 -7.124 237 HB2 LYS 36 2HB LYS 36 -13.678 -5.660 -6.916 238 HB3 LYS 36 1HB LYS 36 -13.738 -7.403 -7.137 239 HG2 LYS 36 2HG LYS 36 -14.832 -7.694 -5.230 240 HG3 LYS 36 1HG LYS 36 -13.676 -6.712 -4.333 241 HD2 LYS 36 2HD LYS 36 -15.831 -5.698 -4.130 242 HD3 LYS 36 1HD LYS 36 -14.843 -4.685 -5.185 243 HE2 LYS 36 2HE LYS 36 -15.920 -5.673 -7.146 244 HE3 LYS 36 1HE LYS 36 -16.902 -6.694 -6.095 245 HZ1 LYS 36 3HZ LYS 36 -17.864 -4.675 -5.131 246 HZ2 LYS 36 1HZ LYS 36 -18.151 -4.772 -6.800 247 HZ3 LYS 36 2HZ LYS 36 -16.957 -3.724 -6.206 248 H ASN 37 H ASN 37 -11.795 -6.237 -3.762 249 HA ASN 37 HA ASN 37 -10.246 -3.817 -3.842 250 HB2 ASN 37 2HB ASN 37 -12.469 -2.879 -4.175 251 HB3 ASN 37 1HB ASN 37 -13.135 -3.876 -2.889 252 HD21 ASN 37 1HD2 ASN 37 -11.173 -1.102 -3.638 253 HD22 ASN 37 2HD2 ASN 37 -11.218 -0.413 -2.055 254 H GLN 38 H GLN 38 -8.835 -5.278 -2.759 255 HA GLN 38 HA GLN 38 -9.703 -5.907 -0.026 256 HB2 GLN 38 2HB GLN 38 -9.974 -7.858 -1.616 257 HB3 GLN 38 1HB GLN 38 -8.223 -7.883 -1.757 258 HG2 GLN 38 2HG GLN 38 -8.696 -9.498 -0.165 259 HG3 GLN 38 1HG GLN 38 -8.201 -8.103 0.784 260 HE21 GLN 38 1HE2 GLN 38 -10.810 -6.755 0.317 261 HE22 GLN 38 2HE2 GLN 38 -11.928 -7.566 1.358 262 H CYS 39 H CYS 39 -8.206 -5.751 1.514 263 HA CYS 39 HA CYS 39 -5.577 -4.778 0.775 264 HB2 CYS 39 2HB CYS 39 -6.958 -5.037 3.439 265 HB3 CYS 39 1HB CYS 39 -5.337 -4.399 3.226 266 HG CYS 39 HG CYS 39 -7.675 -2.894 1.358 267 H VAL 40 H VAL 40 -4.422 -6.528 0.084 268 HA VAL 40 HA VAL 40 -4.294 -8.905 1.746 269 HB VAL 40 HB VAL 40 -4.347 -8.871 -0.816 270 HG11 VAL 40 1HG1 VAL 40 -2.680 -7.173 -1.219 271 HG12 VAL 40 2HG1 VAL 40 -2.172 -8.699 -1.943 272 HG13 VAL 40 3HG1 VAL 40 -1.448 -8.155 -0.428 273 HG21 VAL 40 3HG2 VAL 40 -2.214 -10.449 0.616 274 HG22 VAL 40 1HG2 VAL 40 -2.863 -10.835 -0.976 275 HG23 VAL 40 2HG2 VAL 40 -3.912 -10.891 0.439 276 H THR 41 H THR 41 -2.056 -9.727 2.325 277 HA THR 41 HA THR 41 -0.740 -7.514 3.662 278 HB THR 41 HB THR 41 0.503 -9.362 4.857 279 HG1 THR 41 HG1 THR 41 -0.027 -11.428 4.459 280 HG21 THR 41 3HG2 THR 41 -2.513 -9.336 5.000 281 HG22 THR 41 1HG2 THR 41 -1.415 -8.258 5.862 282 HG23 THR 41 2HG2 THR 41 -1.438 -9.981 6.241 283 H GLY 42 H GLY 42 1.140 -6.705 3.148 284 HA2 GLY 42 2HA GLY 42 3.415 -7.944 2.250 285 HA3 GLY 42 1HA GLY 42 2.517 -7.561 0.785 286 H GLU 43 H GLU 43 3.578 -5.866 -0.085 287 HA GLU 43 HA GLU 43 3.610 -3.438 1.554 288 HB2 GLU 43 2HB GLU 43 5.787 -2.776 0.552 289 HB3 GLU 43 1HB GLU 43 5.891 -4.164 1.623 290 HG2 GLU 43 2HG GLU 43 6.230 -5.651 -0.143 291 HG3 GLU 43 1HG GLU 43 5.648 -4.495 -1.343 292 H GLY 44 H GLY 44 2.452 -1.951 0.617 293 HA2 GLY 44 2HA GLY 44 1.973 -2.110 -2.265 294 HA3 GLY 44 1HA GLY 44 1.002 -1.219 -1.105 295 H THR 45 H THR 45 1.056 0.727 -2.104 296 HA THR 45 HA THR 45 3.531 2.233 -1.868 297 HB THR 45 HB THR 45 2.262 3.028 -4.317 298 HG1 THR 45 HG1 THR 45 1.890 0.536 -4.069 299 HG21 THR 45 3HG2 THR 45 4.568 3.549 -3.721 300 HG22 THR 45 1HG2 THR 45 4.518 2.649 -5.236 301 HG23 THR 45 2HG2 THR 45 4.978 1.835 -3.741 302 HA PRO 46 HA PRO 46 0.699 5.362 -0.369 303 HB2 PRO 46 2HB PRO 46 2.667 7.261 -1.523 304 HB3 PRO 46 1HB PRO 46 2.050 7.151 0.127 305 HG2 PRO 46 2HG PRO 46 4.531 6.365 -0.470 306 HG3 PRO 46 1HG PRO 46 3.547 5.483 0.716 307 HD2 PRO 46 2HD PRO 46 4.177 4.786 -2.121 308 HD3 PRO 46 1HD PRO 46 4.046 3.728 -0.701 309 H LYS 47 H LYS 47 -1.027 6.302 -1.322 310 HA LYS 47 HA LYS 47 -1.127 6.277 -4.227 311 HB2 LYS 47 2HB LYS 47 -2.906 5.361 -2.549 312 HB3 LYS 47 1HB LYS 47 -3.404 7.046 -2.430 313 HG2 LYS 47 2HG LYS 47 -3.355 6.827 -5.075 314 HG3 LYS 47 1HG LYS 47 -3.653 5.141 -4.672 315 HD2 LYS 47 2HD LYS 47 -5.804 5.653 -4.461 316 HD3 LYS 47 1HD LYS 47 -5.375 6.599 -3.033 317 HE2 LYS 47 2HE LYS 47 -5.286 7.678 -5.837 318 HE3 LYS 47 1HE LYS 47 -6.697 7.824 -4.793 319 HZ1 LYS 47 3HZ LYS 47 -3.997 8.895 -4.167 320 HZ2 LYS 47 1HZ LYS 47 -5.401 9.104 -3.239 321 HZ3 LYS 47 2HZ LYS 47 -5.287 9.806 -4.778 322 HA PRO 48 HA PRO 48 -0.290 10.731 -4.029 323 HB2 PRO 48 2HB PRO 48 -0.414 10.481 -6.963 324 HB3 PRO 48 1HB PRO 48 0.898 11.074 -5.940 325 HG2 PRO 48 2HG PRO 48 1.061 8.714 -7.201 326 HG3 PRO 48 1HG PRO 48 1.764 8.961 -5.592 327 HD2 PRO 48 2HD PRO 48 -0.806 7.618 -6.353 328 HD3 PRO 48 1HD PRO 48 0.403 7.134 -5.145 329 H GLN 49 H GLN 49 -1.525 12.534 -4.380 330 HA GLN 49 HA GLN 49 -4.097 12.209 -5.741 331 HB2 GLN 49 2HB GLN 49 -4.984 13.594 -3.628 332 HB3 GLN 49 1HB GLN 49 -5.022 11.841 -3.703 333 HG2 GLN 49 2HG GLN 49 -2.886 11.780 -2.470 334 HG3 GLN 49 1HG GLN 49 -2.960 13.535 -2.318 335 HE21 GLN 49 1HE2 GLN 49 -4.434 14.457 -0.911 336 HE22 GLN 49 2HE2 GLN 49 -5.313 13.535 0.260 337 H SER 50 H SER 50 -1.801 14.349 -4.154 338 HA SER 50 HA SER 50 -2.726 16.619 -5.727 339 HB2 SER 50 2HB SER 50 -0.432 16.382 -3.758 340 HB3 SER 50 1HB SER 50 -0.997 17.879 -4.500 341 HG SER 50 HG SER 50 -1.805 17.125 -2.270 342 H HIS 51 H HIS 51 -0.149 14.266 -5.560 343 HA HIS 51 HA HIS 51 1.255 15.408 -7.836 344 HB2 HIS 51 2HB HIS 51 1.597 12.804 -6.376 345 HB3 HIS 51 1HB HIS 51 2.584 13.289 -7.737 346 HD1 HIS 51 HD1 HIS 51 2.433 13.487 -4.106 347 HD2 HIS 51 HD2 HIS 51 4.132 15.721 -7.186 348 HE1 HIS 51 HE1 HIS 51 4.224 14.891 -3.033 349 HE2 HIS 51 HE2 HIS 51 5.381 16.049 -4.951 Start of MODEL 4 1 H1 VAL 1 1H VAL 1 -4.589 14.998 7.397 2 H2 VAL 1 2H VAL 1 -3.721 13.959 8.416 3 H3 VAL 1 3H VAL 1 -5.364 13.667 8.109 4 HA VAL 1 HA VAL 1 -3.191 13.576 6.101 5 HB VAL 1 HB VAL 1 -3.676 11.139 5.997 6 HG11 VAL 1 1HG1 VAL 1 -1.755 11.938 7.242 7 HG12 VAL 1 2HG1 VAL 1 -2.462 10.535 8.044 8 HG13 VAL 1 3HG1 VAL 1 -2.752 12.155 8.679 9 HG21 VAL 1 3HG2 VAL 1 -5.287 11.663 8.493 10 HG22 VAL 1 1HG2 VAL 1 -4.850 10.069 7.877 11 HG23 VAL 1 2HG2 VAL 1 -5.913 11.116 6.937 12 H VAL 2 H VAL 2 -3.847 13.688 4.047 13 HA VAL 2 HA VAL 2 -6.741 13.656 3.548 14 HB VAL 2 HB VAL 2 -4.548 14.567 1.673 15 HG11 VAL 2 1HG1 VAL 2 -6.384 15.692 0.489 16 HG12 VAL 2 2HG1 VAL 2 -7.537 14.980 1.621 17 HG13 VAL 2 3HG1 VAL 2 -6.607 13.943 0.539 18 HG21 VAL 2 3HG2 VAL 2 -5.163 16.848 2.291 19 HG22 VAL 2 1HG2 VAL 2 -4.578 15.947 3.691 20 HG23 VAL 2 2HG2 VAL 2 -6.307 16.226 3.480 21 H TYR 3 H TYR 3 -6.714 11.309 3.793 22 HA TYR 3 HA TYR 3 -5.587 9.907 1.487 23 HB2 TYR 3 2HB TYR 3 -6.831 8.822 4.017 24 HB3 TYR 3 1HB TYR 3 -6.297 7.827 2.675 25 HD1 TYR 3 HD2 TYR 3 -3.797 9.614 2.110 26 HD2 TYR 3 HD1 TYR 3 -5.353 7.771 5.615 27 HE1 TYR 3 HE2 TYR 3 -1.529 9.513 3.053 28 HE2 TYR 3 HE1 TYR 3 -3.088 7.664 6.568 29 HH TYR 3 HH TYR 3 -0.709 7.619 5.668 30 H THR 4 H THR 4 -6.907 8.464 0.308 31 HA THR 4 HA THR 4 -9.743 9.153 0.247 32 HB THR 4 HB THR 4 -9.457 9.189 -2.334 33 HG1 THR 4 HG1 THR 4 -6.801 9.890 -1.519 34 HG21 THR 4 3HG2 THR 4 -8.392 11.475 -0.669 35 HG22 THR 4 1HG2 THR 4 -10.090 11.157 -1.020 36 HG23 THR 4 2HG2 THR 4 -8.986 11.595 -2.325 37 H ASP 5 H ASP 5 -10.334 7.675 -2.102 38 HA ASP 5 HA ASP 5 -10.081 5.005 -0.960 39 HB2 ASP 5 2HB ASP 5 -11.499 5.679 -3.544 40 HB3 ASP 5 1HB ASP 5 -11.829 4.358 -2.429 41 H CYS 6 H CYS 6 -9.122 3.246 -2.081 42 HA CYS 6 HA CYS 6 -6.735 3.866 -3.410 43 HB2 CYS 6 2HB CYS 6 -8.164 1.222 -3.588 44 HB3 CYS 6 1HB CYS 6 -6.440 1.527 -3.758 45 HG CYS 6 HG CYS 6 -8.230 1.835 -0.849 46 H THR 7 H THR 7 -6.192 4.093 -5.489 47 HA THR 7 HA THR 7 -8.349 3.818 -7.474 48 HB THR 7 HB THR 7 -5.863 5.518 -7.677 49 HG1 THR 7 HG1 THR 7 -8.511 6.394 -7.070 50 HG21 THR 7 3HG2 THR 7 -8.438 5.569 -9.256 51 HG22 THR 7 1HG2 THR 7 -6.908 4.907 -9.824 52 HG23 THR 7 2HG2 THR 7 -7.053 6.632 -9.492 53 H GLU 8 H GLU 8 -5.069 2.976 -6.657 54 HA GLU 8 HA GLU 8 -4.803 1.486 -9.179 55 HB2 GLU 8 2HB GLU 8 -2.826 2.976 -7.508 56 HB3 GLU 8 1HB GLU 8 -2.273 1.610 -8.448 57 HG2 GLU 8 2HG GLU 8 -1.852 3.429 -9.813 58 HG3 GLU 8 1HG GLU 8 -3.370 2.796 -10.442 59 H SER 9 H SER 9 -3.820 -0.558 -9.098 60 HA SER 9 HA SER 9 -4.271 -1.969 -6.592 61 HB2 SER 9 2HB SER 9 -3.447 -3.022 -9.315 62 HB3 SER 9 1HB SER 9 -3.949 -4.000 -7.930 63 HG SER 9 HG SER 9 -5.535 -3.276 -9.732 64 H GLY 10 H GLY 10 -2.670 -2.343 -5.207 65 HA2 GLY 10 2HA GLY 10 -0.359 -3.086 -4.862 66 HA3 GLY 10 1HA GLY 10 0.103 -2.056 -6.209 67 H GLN 11 H GLN 11 -2.141 -0.314 -4.764 68 HA GLN 11 HA GLN 11 -0.220 1.275 -3.243 69 HB2 GLN 11 2HB GLN 11 -2.699 1.758 -4.659 70 HB3 GLN 11 1HB GLN 11 -2.800 2.392 -3.020 71 HG2 GLN 11 2HG GLN 11 -1.651 4.160 -3.650 72 HG3 GLN 11 1HG GLN 11 -0.282 3.131 -4.053 73 HE21 GLN 11 1HE2 GLN 11 -3.139 4.703 -5.252 74 HE22 GLN 11 2HE2 GLN 11 -2.706 4.665 -6.930 75 H ASN 12 H ASN 12 -1.028 2.150 -1.050 76 HA ASN 12 HA ASN 12 -2.671 0.154 0.314 77 HB2 ASN 12 2HB ASN 12 -1.096 0.308 2.300 78 HB3 ASN 12 1HB ASN 12 -0.646 -0.714 0.949 79 HD21 ASN 12 1HD2 ASN 12 1.457 -0.664 1.696 80 HD22 ASN 12 2HD2 ASN 12 2.498 0.691 1.413 81 H LEU 13 H LEU 13 -0.928 3.165 0.999 82 HA LEU 13 HA LEU 13 -2.497 3.969 3.174 83 HB2 LEU 13 2HB LEU 13 -0.775 5.551 1.281 84 HB3 LEU 13 1HB LEU 13 -1.550 6.264 2.683 85 HG LEU 13 HG LEU 13 0.394 3.960 2.837 86 HD11 LEU 13 1HD1 LEU 13 0.860 6.908 3.271 87 HD12 LEU 13 2HD1 LEU 13 1.527 5.925 1.967 88 HD13 LEU 13 3HD1 LEU 13 2.011 5.623 3.637 89 HD21 LEU 13 3HD2 LEU 13 -1.168 4.128 4.715 90 HD22 LEU 13 1HD2 LEU 13 -0.712 5.815 4.944 91 HD23 LEU 13 2HD2 LEU 13 0.475 4.539 5.206 92 H CYS 14 H CYS 14 -4.481 3.277 1.854 93 HA CYS 14 HA CYS 14 -6.003 5.684 1.371 94 HB2 CYS 14 2HB CYS 14 -6.931 4.348 -0.755 95 HB3 CYS 14 1HB CYS 14 -5.609 5.500 -0.880 96 HG CYS 14 HG CYS 14 -4.925 2.217 -0.335 97 H LEU 15 H LEU 15 -8.358 5.183 1.310 98 HA LEU 15 HA LEU 15 -8.946 2.978 3.093 99 HB2 LEU 15 2HB LEU 15 -11.361 4.122 2.145 100 HB3 LEU 15 1HB LEU 15 -10.643 4.267 3.731 101 HG LEU 15 HG LEU 15 -9.889 6.115 1.475 102 HD11 LEU 15 1HD1 LEU 15 -12.301 6.253 1.791 103 HD12 LEU 15 2HD1 LEU 15 -11.501 7.705 2.392 104 HD13 LEU 15 3HD1 LEU 15 -12.070 6.477 3.524 105 HD21 LEU 15 3HD2 LEU 15 -9.197 7.586 3.277 106 HD22 LEU 15 1HD2 LEU 15 -8.386 6.028 3.422 107 HD23 LEU 15 2HD2 LEU 15 -9.749 6.415 4.474 108 H CYS 16 H CYS 16 -8.805 1.074 2.120 109 HA CYS 16 HA CYS 16 -9.687 0.658 -0.582 110 HB2 CYS 16 2HB CYS 16 -7.694 -0.487 0.114 111 HB3 CYS 16 1HB CYS 16 -8.518 -1.181 1.501 112 HG CYS 16 HG CYS 16 -7.912 -2.749 -1.100 113 H GLU 17 H GLU 17 -10.314 -1.328 2.254 114 HA GLU 17 HA GLU 17 -12.956 -2.017 1.336 115 HB2 GLU 17 2HB GLU 17 -11.196 -3.393 2.764 116 HB3 GLU 17 1HB GLU 17 -11.941 -2.542 4.106 117 HG2 GLU 17 2HG GLU 17 -13.589 -4.108 2.160 118 HG3 GLU 17 1HG GLU 17 -12.783 -4.887 3.520 119 H GLY 18 H GLY 18 -14.879 -1.421 2.372 120 HA2 GLY 18 2HA GLY 18 -16.117 0.603 2.817 121 HA3 GLY 18 1HA GLY 18 -15.921 -0.260 4.328 122 H SER 19 H SER 19 -14.405 0.493 5.856 123 HA SER 19 HA SER 19 -13.494 3.258 5.380 124 HB2 SER 19 2HB SER 19 -13.713 3.560 7.847 125 HB3 SER 19 1HB SER 19 -15.253 3.252 7.045 126 HG SER 19 HG SER 19 -15.457 1.495 8.179 127 H ASN 20 H ASN 20 -12.349 0.289 5.413 128 HA ASN 20 HA ASN 20 -10.270 0.382 7.374 129 HB2 ASN 20 2HB ASN 20 -10.738 -1.391 4.981 130 HB3 ASN 20 1HB ASN 20 -9.335 -1.564 6.024 131 HD21 ASN 20 1HD2 ASN 20 -12.448 -0.629 7.275 132 HD22 ASN 20 2HD2 ASN 20 -12.783 -2.115 8.085 133 H VAL 21 H VAL 21 -8.755 1.860 7.250 134 HA VAL 21 HA VAL 21 -7.769 2.800 4.675 135 HB VAL 21 HB VAL 21 -6.884 3.660 7.439 136 HG11 VAL 21 1HG1 VAL 21 -6.589 4.960 4.735 137 HG12 VAL 21 2HG1 VAL 21 -5.302 4.235 5.700 138 HG13 VAL 21 3HG1 VAL 21 -6.122 5.688 6.272 139 HG21 VAL 21 3HG2 VAL 21 -9.231 4.094 7.298 140 HG22 VAL 21 1HG2 VAL 21 -9.062 4.770 5.679 141 HG23 VAL 21 2HG2 VAL 21 -8.381 5.622 7.065 142 H CYS 22 H CYS 22 -6.488 1.274 3.806 143 HA CYS 22 HA CYS 22 -4.758 -0.402 5.293 144 HB2 CYS 22 2HB CYS 22 -5.646 -0.195 2.597 145 HB3 CYS 22 1HB CYS 22 -3.889 -0.175 2.574 146 HG CYS 22 HG CYS 22 -4.751 -2.529 4.634 147 H GLY 23 H GLY 23 -2.437 -0.408 5.287 148 HA2 GLY 23 2HA GLY 23 -1.127 2.064 4.476 149 HA3 GLY 23 1HA GLY 23 -1.097 1.672 6.190 150 H GLN 24 H GLN 24 0.801 0.867 6.743 151 HA GLN 24 HA GLN 24 2.443 -0.367 4.686 152 HB2 GLN 24 2HB GLN 24 2.958 0.740 7.423 153 HB3 GLN 24 1HB GLN 24 4.112 -0.382 6.717 154 HG2 GLN 24 2HG GLN 24 4.679 2.018 6.384 155 HG3 GLN 24 1HG GLN 24 4.551 1.090 4.893 156 HE21 GLN 24 1HE2 GLN 24 2.959 1.572 3.431 157 HE22 GLN 24 2HE2 GLN 24 1.952 2.973 3.562 158 H GLY 25 H GLY 25 3.047 -2.434 4.633 159 HA2 GLY 25 2HA GLY 25 3.216 -4.648 5.376 160 HA3 GLY 25 1HA GLY 25 2.231 -4.247 6.780 161 H ASN 26 H ASN 26 0.744 -2.857 4.261 162 HA ASN 26 HA ASN 26 -0.630 -5.288 3.367 163 HB2 ASN 26 2HB ASN 26 -1.893 -2.759 4.392 164 HB3 ASN 26 1HB ASN 26 -2.757 -3.873 3.338 165 HD21 ASN 26 1HD2 ASN 26 -1.580 -3.279 6.513 166 HD22 ASN 26 2HD2 ASN 26 -2.273 -4.684 7.256 167 H LYS 27 H LYS 27 -1.900 -4.940 1.418 168 HA LYS 27 HA LYS 27 -1.164 -2.670 -0.222 169 HB2 LYS 27 2HB LYS 27 0.672 -4.244 -0.602 170 HB3 LYS 27 1HB LYS 27 -0.479 -5.519 -0.974 171 HG2 LYS 27 2HG LYS 27 -0.980 -4.658 -3.034 172 HG3 LYS 27 1HG LYS 27 -0.510 -3.017 -2.584 173 HD2 LYS 27 2HD LYS 27 1.139 -3.887 -4.092 174 HD3 LYS 27 1HD LYS 27 1.853 -3.781 -2.483 175 HE2 LYS 27 2HE LYS 27 2.558 -5.854 -3.281 176 HE3 LYS 27 1HE LYS 27 1.191 -6.245 -2.238 177 HZ1 LYS 27 3HZ LYS 27 1.088 -5.997 -5.198 178 HZ2 LYS 27 1HZ LYS 27 -0.213 -6.407 -4.196 179 HZ3 LYS 27 2HZ LYS 27 1.109 -7.456 -4.336 180 H CYS 28 H CYS 28 -3.010 -2.066 -1.267 181 HA CYS 28 HA CYS 28 -5.202 -3.973 -1.398 182 HB2 CYS 28 2HB CYS 28 -5.835 -1.782 -0.621 183 HB3 CYS 28 1HB CYS 28 -5.083 -1.025 -2.017 184 HG CYS 28 HG CYS 28 -7.584 -0.696 -2.754 185 H ILE 29 H ILE 29 -5.859 -4.962 -3.173 186 HA ILE 29 HA ILE 29 -4.876 -3.967 -5.759 187 HB ILE 29 HB ILE 29 -5.131 -6.428 -6.496 188 HG12 ILE 29 2HG1 ILE 29 -4.762 -6.784 -3.518 189 HG13 ILE 29 1HG1 ILE 29 -6.225 -7.179 -4.415 190 HG21 ILE 29 1HG2 ILE 29 -2.817 -6.906 -5.842 191 HG22 ILE 29 2HG2 ILE 29 -2.877 -5.571 -4.689 192 HG23 ILE 29 3HG2 ILE 29 -3.011 -5.250 -6.420 193 HD11 ILE 29 3HD1 ILE 29 -4.904 -9.165 -3.933 194 HD12 ILE 29 1HD1 ILE 29 -3.532 -8.472 -4.796 195 HD13 ILE 29 2HD1 ILE 29 -5.011 -8.875 -5.669 196 H LEU 30 H LEU 30 -6.498 -3.100 -6.797 197 HA LEU 30 HA LEU 30 -9.220 -3.988 -6.389 198 HB2 LEU 30 2HB LEU 30 -8.097 -1.806 -8.163 199 HB3 LEU 30 1HB LEU 30 -9.801 -2.136 -7.930 200 HG LEU 30 HG LEU 30 -9.262 -1.694 -5.407 201 HD11 LEU 30 1HD1 LEU 30 -6.861 -1.571 -5.605 202 HD12 LEU 30 2HD1 LEU 30 -7.502 -0.008 -5.108 203 HD13 LEU 30 3HD1 LEU 30 -6.995 -0.260 -6.777 204 HD21 LEU 30 3HD2 LEU 30 -9.771 0.669 -5.730 205 HD22 LEU 30 1HD2 LEU 30 -10.754 -0.347 -6.785 206 HD23 LEU 30 2HD2 LEU 30 -9.368 0.528 -7.441 207 H GLY 31 H GLY 31 -8.947 -6.105 -7.287 208 HA2 GLY 31 2HA GLY 31 -8.268 -6.263 -10.129 209 HA3 GLY 31 1HA GLY 31 -8.435 -7.618 -9.022 210 H ARG 32 H ARG 32 -10.248 -8.764 -9.104 211 HA ARG 32 HA ARG 32 -12.703 -7.678 -10.169 212 HB2 ARG 32 2HB ARG 32 -11.168 -8.242 -12.134 213 HB3 ARG 32 1HB ARG 32 -11.342 -9.923 -11.659 214 HG2 ARG 32 2HG ARG 32 -13.724 -9.824 -12.062 215 HG3 ARG 32 1HG ARG 32 -13.608 -8.103 -12.449 216 HD2 ARG 32 2HD ARG 32 -13.672 -9.331 -14.505 217 HD3 ARG 32 1HD ARG 32 -12.043 -8.684 -14.287 218 HE ARG 32 HE ARG 32 -12.773 -11.493 -13.722 219 HH11 ARG 32 1HH1 ARG 32 -10.554 -9.085 -14.973 220 HH12 ARG 32 2HH1 ARG 32 -9.320 -10.245 -15.366 221 HH21 ARG 32 1HH2 ARG 32 -11.176 -13.019 -14.261 222 HH22 ARG 32 2HH2 ARG 32 -9.677 -12.488 -14.987 223 H GLY 33 H GLY 33 -14.465 -9.233 -9.998 224 HA2 GLY 33 2HA GLY 33 -15.344 -11.308 -9.249 225 HA3 GLY 33 1HA GLY 33 -13.818 -11.658 -8.481 226 H ASP 34 H ASP 34 -14.537 -12.081 -6.467 227 HA ASP 34 HA ASP 34 -15.871 -9.957 -4.964 228 HB2 ASP 34 2HB ASP 34 -16.262 -12.426 -4.484 229 HB3 ASP 34 1HB ASP 34 -14.595 -12.515 -3.928 230 H SER 35 H SER 35 -13.017 -10.777 -6.216 231 HA SER 35 HA SER 35 -11.219 -9.638 -4.243 232 HB2 SER 35 2HB SER 35 -10.829 -10.813 -6.992 233 HB3 SER 35 1HB SER 35 -9.533 -10.364 -5.909 234 HG SER 35 HG SER 35 -10.266 -11.945 -4.443 235 H LYS 36 H LYS 36 -13.293 -8.094 -5.721 236 HA LYS 36 HA LYS 36 -12.250 -6.589 -7.833 237 HB2 LYS 36 2HB LYS 36 -14.054 -4.943 -7.176 238 HB3 LYS 36 1HB LYS 36 -14.595 -6.591 -7.476 239 HG2 LYS 36 2HG LYS 36 -14.647 -7.026 -5.083 240 HG3 LYS 36 1HG LYS 36 -14.085 -5.387 -4.768 241 HD2 LYS 36 2HD LYS 36 -16.617 -6.112 -6.198 242 HD3 LYS 36 1HD LYS 36 -16.531 -5.659 -4.500 243 HE2 LYS 36 2HE LYS 36 -15.644 -3.898 -6.781 244 HE3 LYS 36 1HE LYS 36 -17.242 -3.821 -6.042 245 HZ1 LYS 36 3HZ LYS 36 -16.178 -3.301 -3.921 246 HZ2 LYS 36 1HZ LYS 36 -15.799 -2.154 -5.111 247 HZ3 LYS 36 2HZ LYS 36 -14.656 -3.323 -4.666 248 H ASN 37 H ASN 37 -12.178 -6.038 -4.374 249 HA ASN 37 HA ASN 37 -9.748 -4.556 -4.672 250 HB2 ASN 37 2HB ASN 37 -10.423 -2.612 -3.451 251 HB3 ASN 37 1HB ASN 37 -11.584 -2.833 -4.753 252 HD21 ASN 37 1HD2 ASN 37 -11.067 -2.793 -1.357 253 HD22 ASN 37 2HD2 ASN 37 -12.721 -2.949 -0.899 254 H GLN 38 H GLN 38 -8.382 -5.198 -3.051 255 HA GLN 38 HA GLN 38 -9.558 -6.285 -0.610 256 HB2 GLN 38 2HB GLN 38 -9.432 -8.204 -2.091 257 HB3 GLN 38 1HB GLN 38 -7.746 -7.862 -2.440 258 HG2 GLN 38 2HG GLN 38 -7.863 -9.680 -0.906 259 HG3 GLN 38 1HG GLN 38 -7.213 -8.287 -0.064 260 HE21 GLN 38 1HE2 GLN 38 -8.274 -7.507 1.691 261 HE22 GLN 38 2HE2 GLN 38 -9.713 -8.208 2.342 262 H CYS 39 H CYS 39 -8.365 -5.970 1.142 263 HA CYS 39 HA CYS 39 -5.757 -4.728 0.902 264 HB2 CYS 39 2HB CYS 39 -7.594 -5.276 3.216 265 HB3 CYS 39 1HB CYS 39 -5.954 -4.695 3.455 266 HG CYS 39 HG CYS 39 -6.301 -2.243 2.379 267 H VAL 40 H VAL 40 -4.534 -6.472 0.095 268 HA VAL 40 HA VAL 40 -4.338 -8.878 1.714 269 HB VAL 40 HB VAL 40 -4.302 -8.775 -0.866 270 HG11 VAL 40 1HG1 VAL 40 -2.627 -7.039 -1.111 271 HG12 VAL 40 2HG1 VAL 40 -2.104 -8.531 -1.893 272 HG13 VAL 40 3HG1 VAL 40 -1.424 -8.067 -0.331 273 HG21 VAL 40 3HG2 VAL 40 -2.210 -10.357 0.625 274 HG22 VAL 40 1HG2 VAL 40 -2.787 -10.710 -1.004 275 HG23 VAL 40 2HG2 VAL 40 -3.892 -10.818 0.364 276 H THR 41 H THR 41 -2.200 -9.620 2.439 277 HA THR 41 HA THR 41 -0.805 -7.389 3.653 278 HB THR 41 HB THR 41 0.464 -9.397 4.764 279 HG1 THR 41 HG1 THR 41 -1.981 -10.659 4.012 280 HG21 THR 41 3HG2 THR 41 -1.298 -9.546 6.468 281 HG22 THR 41 1HG2 THR 41 -2.434 -8.787 5.357 282 HG23 THR 41 2HG2 THR 41 -1.044 -7.882 5.949 283 H GLY 42 H GLY 42 1.112 -6.688 3.132 284 HA2 GLY 42 2HA GLY 42 3.272 -8.045 2.085 285 HA3 GLY 42 1HA GLY 42 2.334 -7.512 0.697 286 H GLU 43 H GLU 43 3.537 -5.886 -0.119 287 HA GLU 43 HA GLU 43 3.829 -3.546 1.617 288 HB2 GLU 43 2HB GLU 43 5.995 -2.996 0.558 289 HB3 GLU 43 1HB GLU 43 6.057 -4.489 1.481 290 HG2 GLU 43 2HG GLU 43 6.070 -5.805 -0.486 291 HG3 GLU 43 1HG GLU 43 5.670 -4.414 -1.496 292 H GLY 44 H GLY 44 2.572 -2.030 0.819 293 HA2 GLY 44 2HA GLY 44 1.962 -2.044 -2.036 294 HA3 GLY 44 1HA GLY 44 1.079 -1.177 -0.792 295 H THR 45 H THR 45 1.124 0.729 -1.904 296 HA THR 45 HA THR 45 3.641 2.198 -1.745 297 HB THR 45 HB THR 45 2.487 3.242 -4.025 298 HG1 THR 45 HG1 THR 45 1.956 0.503 -3.872 299 HG21 THR 45 3HG2 THR 45 4.879 2.911 -3.656 300 HG22 THR 45 1HG2 THR 45 4.388 2.246 -5.214 301 HG23 THR 45 2HG2 THR 45 4.676 1.170 -3.847 302 HA PRO 46 HA PRO 46 0.989 5.338 0.017 303 HB2 PRO 46 2HB PRO 46 2.899 7.225 -1.252 304 HB3 PRO 46 1HB PRO 46 2.402 7.104 0.438 305 HG2 PRO 46 2HG PRO 46 4.818 6.280 -0.336 306 HG3 PRO 46 1HG PRO 46 3.900 5.388 0.893 307 HD2 PRO 46 2HD PRO 46 4.314 4.752 -2.000 308 HD3 PRO 46 1HD PRO 46 4.275 3.659 -0.600 309 H LYS 47 H LYS 47 -0.823 6.214 -0.822 310 HA LYS 47 HA LYS 47 -1.061 6.267 -3.703 311 HB2 LYS 47 2HB LYS 47 -2.741 5.183 -2.134 312 HB3 LYS 47 1HB LYS 47 -3.220 6.814 -1.673 313 HG2 LYS 47 2HG LYS 47 -3.271 6.947 -4.390 314 HG3 LYS 47 1HG LYS 47 -3.803 5.298 -4.077 315 HD2 LYS 47 2HD LYS 47 -5.656 5.998 -2.852 316 HD3 LYS 47 1HD LYS 47 -4.984 7.611 -2.592 317 HE2 LYS 47 2HE LYS 47 -5.180 8.031 -5.021 318 HE3 LYS 47 1HE LYS 47 -5.960 6.462 -5.198 319 HZ1 LYS 47 3HZ LYS 47 -7.524 8.341 -5.077 320 HZ2 LYS 47 1HZ LYS 47 -7.007 8.657 -3.494 321 HZ3 LYS 47 2HZ LYS 47 -7.774 7.191 -3.866 322 HA PRO 48 HA PRO 48 -0.628 10.777 -3.599 323 HB2 PRO 48 2HB PRO 48 -0.716 10.524 -6.505 324 HB3 PRO 48 1HB PRO 48 0.593 11.117 -5.480 325 HG2 PRO 48 2HG PRO 48 0.747 8.776 -6.832 326 HG3 PRO 48 1HG PRO 48 1.552 9.039 -5.274 327 HD2 PRO 48 2HD PRO 48 -1.016 7.608 -5.865 328 HD3 PRO 48 1HD PRO 48 0.291 7.161 -4.746 329 H GLN 49 H GLN 49 -1.999 12.400 -4.016 330 HA GLN 49 HA GLN 49 -4.724 11.609 -4.752 331 HB2 GLN 49 2HB GLN 49 -5.170 13.975 -3.745 332 HB3 GLN 49 1HB GLN 49 -4.809 12.616 -2.697 333 HG2 GLN 49 2HG GLN 49 -2.555 13.304 -2.440 334 HG3 GLN 49 1HG GLN 49 -2.751 14.580 -3.630 335 HE21 GLN 49 1HE2 GLN 49 -1.849 14.804 -0.926 336 HE22 GLN 49 2HE2 GLN 49 -2.953 15.851 -0.095 337 H SER 50 H SER 50 -2.070 12.895 -6.052 338 HA SER 50 HA SER 50 -3.306 14.920 -7.714 339 HB2 SER 50 2HB SER 50 -0.924 15.013 -8.675 340 HB3 SER 50 1HB SER 50 -1.131 15.487 -6.988 341 HG SER 50 HG SER 50 0.647 14.022 -7.373 342 H HIS 51 H HIS 51 -4.674 12.757 -8.357 343 HA HIS 51 HA HIS 51 -3.438 11.270 -10.493 344 HB2 HIS 51 2HB HIS 51 -6.201 11.377 -9.368 345 HB3 HIS 51 1HB HIS 51 -5.911 10.582 -10.905 346 HD1 HIS 51 HD1 HIS 51 -5.791 9.969 -7.313 347 HD2 HIS 51 HD2 HIS 51 -4.021 8.385 -10.726 348 HE1 HIS 51 HE1 HIS 51 -4.837 7.751 -6.618 349 HE2 HIS 51 HE2 HIS 51 -3.990 6.709 -8.752 Start of MODEL 5 1 H1 VAL 1 1H VAL 1 -2.105 15.059 7.362 2 H2 VAL 1 2H VAL 1 -3.567 14.284 7.731 3 H3 VAL 1 3H VAL 1 -3.570 15.701 6.804 4 HA VAL 1 HA VAL 1 -2.406 14.600 5.028 5 HB VAL 1 HB VAL 1 -2.105 12.164 5.062 6 HG11 VAL 1 1HG1 VAL 1 -0.759 13.621 7.331 7 HG12 VAL 1 2HG1 VAL 1 -0.208 13.517 5.658 8 HG13 VAL 1 3HG1 VAL 1 -0.227 12.074 6.672 9 HG21 VAL 1 3HG2 VAL 1 -2.292 10.905 7.153 10 HG22 VAL 1 1HG2 VAL 1 -3.848 11.573 6.665 11 HG23 VAL 1 2HG2 VAL 1 -2.928 12.338 7.961 12 H VAL 2 H VAL 2 -3.693 13.953 3.329 13 HA VAL 2 HA VAL 2 -6.501 13.414 4.058 14 HB VAL 2 HB VAL 2 -5.477 14.694 1.515 15 HG11 VAL 2 1HG1 VAL 2 -8.287 14.392 2.571 16 HG12 VAL 2 2HG1 VAL 2 -7.586 13.482 1.233 17 HG13 VAL 2 3HG1 VAL 2 -7.820 15.226 1.089 18 HG21 VAL 2 3HG2 VAL 2 -5.098 16.190 3.371 19 HG22 VAL 2 1HG2 VAL 2 -6.744 15.940 3.953 20 HG23 VAL 2 2HG2 VAL 2 -6.467 16.773 2.425 21 H TYR 3 H TYR 3 -6.742 11.249 3.928 22 HA TYR 3 HA TYR 3 -5.605 9.816 1.661 23 HB2 TYR 3 2HB TYR 3 -7.196 8.863 4.044 24 HB3 TYR 3 1HB TYR 3 -6.690 7.811 2.731 25 HD1 TYR 3 HD2 TYR 3 -3.936 9.222 2.376 26 HD2 TYR 3 HD1 TYR 3 -6.002 7.659 5.753 27 HE1 TYR 3 HE2 TYR 3 -1.788 8.825 3.502 28 HE2 TYR 3 HE1 TYR 3 -3.859 7.256 6.883 29 HH TYR 3 HH TYR 3 -0.897 8.534 5.737 30 H THR 4 H THR 4 -6.971 8.399 0.392 31 HA THR 4 HA THR 4 -9.752 9.230 0.137 32 HB THR 4 HB THR 4 -9.286 9.105 -2.448 33 HG1 THR 4 HG1 THR 4 -6.779 10.173 -1.670 34 HG21 THR 4 3HG2 THR 4 -8.423 11.508 -0.830 35 HG22 THR 4 1HG2 THR 4 -10.083 11.108 -1.266 36 HG23 THR 4 2HG2 THR 4 -8.918 11.518 -2.524 37 H ASP 5 H ASP 5 -10.344 7.710 -2.142 38 HA ASP 5 HA ASP 5 -10.103 5.024 -1.038 39 HB2 ASP 5 2HB ASP 5 -11.525 5.953 -3.553 40 HB3 ASP 5 1HB ASP 5 -11.695 4.384 -2.776 41 H CYS 6 H CYS 6 -9.189 3.272 -2.232 42 HA CYS 6 HA CYS 6 -6.788 3.905 -3.540 43 HB2 CYS 6 2HB CYS 6 -8.260 1.292 -3.795 44 HB3 CYS 6 1HB CYS 6 -6.534 1.579 -3.963 45 HG CYS 6 HG CYS 6 -5.918 1.668 -1.398 46 H THR 7 H THR 7 -6.236 4.140 -5.621 47 HA THR 7 HA THR 7 -8.446 4.059 -7.562 48 HB THR 7 HB THR 7 -7.449 6.297 -7.019 49 HG1 THR 7 HG1 THR 7 -8.336 5.448 -9.234 50 HG21 THR 7 3HG2 THR 7 -5.285 6.868 -8.077 51 HG22 THR 7 1HG2 THR 7 -5.051 5.161 -8.455 52 HG23 THR 7 2HG2 THR 7 -5.121 5.691 -6.774 53 H GLU 8 H GLU 8 -5.350 2.864 -6.738 54 HA GLU 8 HA GLU 8 -5.250 1.375 -9.259 55 HB2 GLU 8 2HB GLU 8 -3.296 3.276 -8.198 56 HB3 GLU 8 1HB GLU 8 -2.597 1.711 -8.586 57 HG2 GLU 8 2HG GLU 8 -4.261 3.329 -10.495 58 HG3 GLU 8 1HG GLU 8 -2.500 3.393 -10.416 59 H SER 9 H SER 9 -4.151 -0.641 -9.112 60 HA SER 9 HA SER 9 -4.379 -1.857 -6.488 61 HB2 SER 9 2HB SER 9 -3.551 -3.114 -9.123 62 HB3 SER 9 1HB SER 9 -4.094 -3.954 -7.665 63 HG SER 9 HG SER 9 -5.593 -2.318 -9.425 64 H GLY 10 H GLY 10 -2.692 -2.223 -5.172 65 HA2 GLY 10 2HA GLY 10 -0.315 -2.753 -4.895 66 HA3 GLY 10 1HA GLY 10 0.013 -1.699 -6.263 67 H GLN 11 H GLN 11 -2.275 -0.059 -4.887 68 HA GLN 11 HA GLN 11 -0.484 1.557 -3.243 69 HB2 GLN 11 2HB GLN 11 -3.026 2.015 -4.677 70 HB3 GLN 11 1HB GLN 11 -2.908 2.836 -3.121 71 HG2 GLN 11 2HG GLN 11 -1.676 4.394 -4.030 72 HG3 GLN 11 1HG GLN 11 -0.459 3.210 -4.477 73 HE21 GLN 11 1HE2 GLN 11 -3.243 5.007 -5.521 74 HE22 GLN 11 2HE2 GLN 11 -2.987 4.783 -7.212 75 H ASN 12 H ASN 12 -1.119 2.203 -1.054 76 HA ASN 12 HA ASN 12 -2.874 0.209 0.180 77 HB2 ASN 12 2HB ASN 12 -1.289 0.282 2.193 78 HB3 ASN 12 1HB ASN 12 -0.849 -0.683 0.797 79 HD21 ASN 12 1HD2 ASN 12 1.280 -0.652 1.459 80 HD22 ASN 12 2HD2 ASN 12 2.290 0.733 1.231 81 H LEU 13 H LEU 13 -1.125 3.155 1.140 82 HA LEU 13 HA LEU 13 -2.785 3.888 3.250 83 HB2 LEU 13 2HB LEU 13 -1.048 5.590 1.473 84 HB3 LEU 13 1HB LEU 13 -1.817 6.179 2.935 85 HG LEU 13 HG LEU 13 0.160 3.896 2.881 86 HD11 LEU 13 1HD1 LEU 13 0.584 6.802 3.585 87 HD12 LEU 13 2HD1 LEU 13 1.236 5.971 2.172 88 HD13 LEU 13 3HD1 LEU 13 1.765 5.510 3.789 89 HD21 LEU 13 3HD2 LEU 13 -0.837 5.567 5.183 90 HD22 LEU 13 1HD2 LEU 13 0.210 4.150 5.264 91 HD23 LEU 13 2HD2 LEU 13 -1.473 3.979 4.768 92 H CYS 14 H CYS 14 -4.740 3.270 1.904 93 HA CYS 14 HA CYS 14 -6.240 5.696 1.436 94 HB2 CYS 14 2HB CYS 14 -7.141 4.414 -0.730 95 HB3 CYS 14 1HB CYS 14 -5.790 5.535 -0.814 96 HG CYS 14 HG CYS 14 -4.580 2.598 -0.095 97 H LEU 15 H LEU 15 -8.607 5.181 1.337 98 HA LEU 15 HA LEU 15 -9.217 2.966 3.086 99 HB2 LEU 15 2HB LEU 15 -11.611 4.040 1.957 100 HB3 LEU 15 1HB LEU 15 -11.017 4.166 3.595 101 HG LEU 15 HG LEU 15 -10.107 6.068 1.447 102 HD11 LEU 15 1HD1 LEU 15 -11.798 7.629 2.281 103 HD12 LEU 15 2HD1 LEU 15 -12.457 6.362 3.315 104 HD13 LEU 15 3HD1 LEU 15 -12.534 6.199 1.559 105 HD21 LEU 15 3HD2 LEU 15 -9.598 7.506 3.347 106 HD22 LEU 15 1HD2 LEU 15 -8.756 5.962 3.491 107 HD23 LEU 15 2HD2 LEU 15 -10.197 6.275 4.459 108 H CYS 16 H CYS 16 -8.619 1.203 1.961 109 HA CYS 16 HA CYS 16 -9.158 0.634 -0.716 110 HB2 CYS 16 2HB CYS 16 -7.415 -0.542 0.391 111 HB3 CYS 16 1HB CYS 16 -8.501 -1.107 1.650 112 HG CYS 16 HG CYS 16 -8.594 -2.142 -1.612 113 H GLU 17 H GLU 17 -10.464 -1.326 1.908 114 HA GLU 17 HA GLU 17 -12.881 -1.798 0.390 115 HB2 GLU 17 2HB GLU 17 -11.807 -3.624 1.668 116 HB3 GLU 17 1HB GLU 17 -12.077 -2.739 3.155 117 HG2 GLU 17 2HG GLU 17 -13.689 -4.515 2.901 118 HG3 GLU 17 1HG GLU 17 -14.484 -2.946 2.856 119 H GLY 18 H GLY 18 -15.001 -1.537 1.505 120 HA2 GLY 18 2HA GLY 18 -16.223 0.634 1.789 121 HA3 GLY 18 1HA GLY 18 -16.364 -0.428 3.173 122 H SER 19 H SER 19 -14.714 -0.068 4.930 123 HA SER 19 HA SER 19 -13.906 2.768 5.045 124 HB2 SER 19 2HB SER 19 -14.402 2.602 7.533 125 HB3 SER 19 1HB SER 19 -15.815 2.574 6.477 126 HG SER 19 HG SER 19 -15.316 0.856 8.309 127 H ASN 20 H ASN 20 -12.720 -0.218 4.795 128 HA ASN 20 HA ASN 20 -10.775 -0.191 6.920 129 HB2 ASN 20 2HB ASN 20 -11.096 -1.949 4.494 130 HB3 ASN 20 1HB ASN 20 -9.758 -2.119 5.620 131 HD21 ASN 20 1HD2 ASN 20 -13.004 -1.240 6.582 132 HD22 ASN 20 2HD2 ASN 20 -13.363 -2.714 7.411 133 H VAL 21 H VAL 21 -9.176 1.195 6.913 134 HA VAL 21 HA VAL 21 -8.119 2.225 4.397 135 HB VAL 21 HB VAL 21 -7.336 2.986 7.221 136 HG11 VAL 21 1HG1 VAL 21 -6.840 4.324 4.563 137 HG12 VAL 21 2HG1 VAL 21 -5.637 3.564 5.605 138 HG13 VAL 21 3HG1 VAL 21 -6.464 5.028 6.136 139 HG21 VAL 21 3HG2 VAL 21 -9.315 4.301 5.362 140 HG22 VAL 21 1HG2 VAL 21 -8.774 4.950 6.910 141 HG23 VAL 21 2HG2 VAL 21 -9.697 3.447 6.858 142 H CYS 22 H CYS 22 -6.713 0.912 3.468 143 HA CYS 22 HA CYS 22 -5.009 -0.896 4.844 144 HB2 CYS 22 2HB CYS 22 -5.756 -0.375 2.153 145 HB3 CYS 22 1HB CYS 22 -4.006 -0.265 2.229 146 HG CYS 22 HG CYS 22 -5.837 -2.955 3.264 147 H GLY 23 H GLY 23 -2.732 -0.760 5.177 148 HA2 GLY 23 2HA GLY 23 -1.649 1.961 4.936 149 HA3 GLY 23 1HA GLY 23 -1.543 1.104 6.461 150 H GLN 24 H GLN 24 0.748 1.338 6.391 151 HA GLN 24 HA GLN 24 2.146 0.175 4.129 152 HB2 GLN 24 2HB GLN 24 3.173 1.487 6.651 153 HB3 GLN 24 1HB GLN 24 4.206 0.875 5.368 154 HG2 GLN 24 2HG GLN 24 3.029 2.435 3.799 155 HG3 GLN 24 1HG GLN 24 2.228 3.134 5.205 156 HE21 GLN 24 1HE2 GLN 24 3.183 5.146 4.894 157 HE22 GLN 24 2HE2 GLN 24 4.865 5.434 5.195 158 H GLY 25 H GLY 25 2.767 -1.818 4.012 159 HA2 GLY 25 2HA GLY 25 3.466 -3.923 5.035 160 HA3 GLY 25 1HA GLY 25 2.479 -3.492 6.434 161 H ASN 26 H ASN 26 0.789 -2.339 4.012 162 HA ASN 26 HA ASN 26 -0.616 -4.847 3.389 163 HB2 ASN 26 2HB ASN 26 -1.897 -2.113 3.588 164 HB3 ASN 26 1HB ASN 26 -2.713 -3.651 3.363 165 HD21 ASN 26 1HD2 ASN 26 -0.858 -4.841 5.425 166 HD22 ASN 26 2HD2 ASN 26 -1.540 -4.351 6.938 167 H LYS 27 H LYS 27 -1.794 -4.738 1.312 168 HA LYS 27 HA LYS 27 -1.054 -2.592 -0.492 169 HB2 LYS 27 2HB LYS 27 0.773 -4.202 -0.782 170 HB3 LYS 27 1HB LYS 27 -0.389 -5.485 -1.093 171 HG2 LYS 27 2HG LYS 27 -0.894 -4.714 -3.190 172 HG3 LYS 27 1HG LYS 27 -0.452 -3.051 -2.802 173 HD2 LYS 27 2HD LYS 27 1.205 -3.925 -4.291 174 HD3 LYS 27 1HD LYS 27 1.925 -3.780 -2.687 175 HE2 LYS 27 2HE LYS 27 2.606 -5.870 -3.641 176 HE3 LYS 27 1HE LYS 27 1.479 -6.196 -2.326 177 HZ1 LYS 27 3HZ LYS 27 1.227 -7.435 -4.553 178 HZ2 LYS 27 1HZ LYS 27 0.495 -6.011 -5.103 179 HZ3 LYS 27 2HZ LYS 27 -0.161 -6.858 -3.784 180 H CYS 28 H CYS 28 -2.906 -2.004 -1.429 181 HA CYS 28 HA CYS 28 -5.141 -3.862 -1.411 182 HB2 CYS 28 2HB CYS 28 -5.697 -1.668 -0.634 183 HB3 CYS 28 1HB CYS 28 -4.922 -0.911 -2.019 184 HG CYS 28 HG CYS 28 -7.550 -0.479 -2.481 185 H ILE 29 H ILE 29 -5.865 -4.893 -3.116 186 HA ILE 29 HA ILE 29 -5.026 -3.986 -5.790 187 HB ILE 29 HB ILE 29 -5.312 -6.491 -6.407 188 HG12 ILE 29 2HG1 ILE 29 -4.701 -6.708 -3.456 189 HG13 ILE 29 1HG1 ILE 29 -6.242 -7.128 -4.195 190 HG21 ILE 29 1HG2 ILE 29 -3.198 -5.301 -6.535 191 HG22 ILE 29 2HG2 ILE 29 -2.943 -6.919 -5.883 192 HG23 ILE 29 3HG2 ILE 29 -2.945 -5.523 -4.806 193 HD11 ILE 29 3HD1 ILE 29 -5.083 -8.852 -5.527 194 HD12 ILE 29 1HD1 ILE 29 -4.975 -9.121 -3.787 195 HD13 ILE 29 2HD1 ILE 29 -3.593 -8.466 -4.666 196 H LEU 30 H LEU 30 -6.703 -3.205 -6.810 197 HA LEU 30 HA LEU 30 -9.411 -3.911 -6.063 198 HB2 LEU 30 2HB LEU 30 -8.332 -2.096 -8.240 199 HB3 LEU 30 1HB LEU 30 -10.034 -2.312 -7.886 200 HG LEU 30 HG LEU 30 -9.413 -1.494 -5.504 201 HD11 LEU 30 1HD1 LEU 30 -7.010 -1.596 -5.718 202 HD12 LEU 30 2HD1 LEU 30 -7.524 0.071 -5.463 203 HD13 LEU 30 3HD1 LEU 30 -7.057 -0.472 -7.075 204 HD21 LEU 30 3HD2 LEU 30 -9.730 0.826 -6.195 205 HD22 LEU 30 1HD2 LEU 30 -10.805 -0.258 -7.077 206 HD23 LEU 30 2HD2 LEU 30 -9.360 0.384 -7.862 207 H GLY 31 H GLY 31 -9.292 -6.183 -6.641 208 HA2 GLY 31 2HA GLY 31 -8.833 -6.852 -9.446 209 HA3 GLY 31 1HA GLY 31 -9.022 -7.990 -8.124 210 H ARG 32 H ARG 32 -10.905 -9.003 -7.917 211 HA ARG 32 HA ARG 32 -13.374 -7.824 -8.798 212 HB2 ARG 32 2HB ARG 32 -13.925 -9.272 -10.562 213 HB3 ARG 32 1HB ARG 32 -12.281 -8.768 -10.897 214 HG2 ARG 32 2HG ARG 32 -13.060 -11.405 -9.662 215 HG3 ARG 32 1HG ARG 32 -12.690 -11.149 -11.364 216 HD2 ARG 32 2HD ARG 32 -10.641 -11.846 -10.696 217 HD3 ARG 32 1HD ARG 32 -10.462 -10.136 -10.299 218 HE ARG 32 HE ARG 32 -11.545 -11.359 -8.058 219 HH11 ARG 32 1HH1 ARG 32 -8.607 -11.659 -9.947 220 HH12 ARG 32 2HH1 ARG 32 -7.634 -12.111 -8.586 221 HH21 ARG 32 1HH2 ARG 32 -10.283 -12.014 -6.285 222 HH22 ARG 32 2HH2 ARG 32 -8.597 -12.356 -6.495 223 H GLY 33 H GLY 33 -15.226 -9.473 -8.496 224 HA2 GLY 33 2HA GLY 33 -16.166 -11.216 -7.247 225 HA3 GLY 33 1HA GLY 33 -14.596 -11.563 -6.565 226 H ASP 34 H ASP 34 -15.313 -11.626 -4.442 227 HA ASP 34 HA ASP 34 -16.205 -9.104 -3.270 228 HB2 ASP 34 2HB ASP 34 -15.473 -11.784 -2.057 229 HB3 ASP 34 1HB ASP 34 -15.877 -10.371 -1.087 230 H SER 35 H SER 35 -13.575 -10.414 -4.521 231 HA SER 35 HA SER 35 -11.589 -9.088 -2.848 232 HB2 SER 35 2HB SER 35 -11.497 -10.984 -5.181 233 HB3 SER 35 1HB SER 35 -10.058 -10.214 -4.554 234 HG SER 35 HG SER 35 -10.348 -11.262 -2.606 235 H LYS 36 H LYS 36 -13.637 -7.757 -4.502 236 HA LYS 36 HA LYS 36 -12.664 -6.711 -6.898 237 HB2 LYS 36 2HB LYS 36 -14.301 -4.846 -6.427 238 HB3 LYS 36 1HB LYS 36 -14.976 -6.469 -6.333 239 HG2 LYS 36 2HG LYS 36 -14.911 -6.436 -3.946 240 HG3 LYS 36 1HG LYS 36 -14.019 -4.920 -3.945 241 HD2 LYS 36 2HD LYS 36 -16.193 -4.178 -5.344 242 HD3 LYS 36 1HD LYS 36 -16.900 -5.446 -4.342 243 HE2 LYS 36 2HE LYS 36 -15.519 -2.923 -3.456 244 HE3 LYS 36 1HE LYS 36 -17.177 -3.425 -3.143 245 HZ1 LYS 36 3HZ LYS 36 -14.734 -4.700 -2.034 246 HZ2 LYS 36 1HZ LYS 36 -16.320 -5.215 -1.735 247 HZ3 LYS 36 2HZ LYS 36 -15.792 -3.699 -1.183 248 H ASN 37 H ASN 37 -11.986 -5.887 -3.620 249 HA ASN 37 HA ASN 37 -9.776 -4.197 -4.390 250 HB2 ASN 37 2HB ASN 37 -10.524 -2.380 -2.857 251 HB3 ASN 37 1HB ASN 37 -11.585 -2.586 -4.245 252 HD21 ASN 37 1HD2 ASN 37 -12.195 -1.364 -1.720 253 HD22 ASN 37 2HD2 ASN 37 -13.484 -2.282 -1.033 254 H GLN 38 H GLN 38 -8.563 -5.952 -3.485 255 HA GLN 38 HA GLN 38 -9.337 -6.737 -0.781 256 HB2 GLN 38 2HB GLN 38 -8.933 -8.420 -2.640 257 HB3 GLN 38 1HB GLN 38 -7.222 -8.053 -2.469 258 HG2 GLN 38 2HG GLN 38 -7.514 -9.928 -1.149 259 HG3 GLN 38 1HG GLN 38 -7.567 -8.605 0.010 260 HE21 GLN 38 1HE2 GLN 38 -9.537 -8.056 0.970 261 HE22 GLN 38 2HE2 GLN 38 -10.890 -9.126 0.942 262 H CYS 39 H CYS 39 -8.204 -6.368 0.955 263 HA CYS 39 HA CYS 39 -5.716 -4.892 0.803 264 HB2 CYS 39 2HB CYS 39 -7.544 -5.673 3.056 265 HB3 CYS 39 1HB CYS 39 -5.950 -5.002 3.362 266 HG CYS 39 HG CYS 39 -7.915 -3.235 1.277 267 H VAL 40 H VAL 40 -4.272 -6.462 -0.010 268 HA VAL 40 HA VAL 40 -3.956 -8.918 1.519 269 HB VAL 40 HB VAL 40 -3.751 -8.674 -1.047 270 HG11 VAL 40 1HG1 VAL 40 -0.986 -7.805 -0.245 271 HG12 VAL 40 2HG1 VAL 40 -2.180 -6.850 -1.125 272 HG13 VAL 40 3HG1 VAL 40 -1.475 -8.285 -1.870 273 HG21 VAL 40 3HG2 VAL 40 -1.707 -10.210 0.545 274 HG22 VAL 40 1HG2 VAL 40 -2.110 -10.513 -1.146 275 HG23 VAL 40 2HG2 VAL 40 -3.328 -10.748 0.106 276 H THR 41 H THR 41 -1.945 -9.492 2.528 277 HA THR 41 HA THR 41 -0.639 -7.177 3.700 278 HB THR 41 HB THR 41 0.531 -8.993 5.089 279 HG1 THR 41 HG1 THR 41 -0.773 -10.982 5.123 280 HG21 THR 41 3HG2 THR 41 -1.421 -9.226 6.562 281 HG22 THR 41 1HG2 THR 41 -2.471 -8.675 5.256 282 HG23 THR 41 2HG2 THR 41 -1.274 -7.580 5.947 283 H GLY 42 H GLY 42 1.176 -6.403 2.959 284 HA2 GLY 42 2HA GLY 42 3.409 -7.882 2.118 285 HA3 GLY 42 1HA GLY 42 2.486 -7.406 0.699 286 H GLU 43 H GLU 43 3.560 -5.760 -0.204 287 HA GLU 43 HA GLU 43 3.953 -3.390 1.467 288 HB2 GLU 43 2HB GLU 43 6.060 -4.605 -0.330 289 HB3 GLU 43 1HB GLU 43 6.146 -2.967 0.305 290 HG2 GLU 43 2HG GLU 43 6.134 -3.832 2.575 291 HG3 GLU 43 1HG GLU 43 6.023 -5.478 1.958 292 H GLY 44 H GLY 44 2.710 -1.924 0.620 293 HA2 GLY 44 2HA GLY 44 2.163 -2.004 -2.259 294 HA3 GLY 44 1HA GLY 44 1.190 -1.190 -1.047 295 H THR 45 H THR 45 1.161 0.758 -2.050 296 HA THR 45 HA THR 45 3.559 2.355 -1.657 297 HB THR 45 HB THR 45 2.325 3.218 -4.098 298 HG1 THR 45 HG1 THR 45 2.100 0.682 -3.974 299 HG21 THR 45 3HG2 THR 45 4.581 3.810 -3.384 300 HG22 THR 45 1HG2 THR 45 4.622 3.013 -4.956 301 HG23 THR 45 2HG2 THR 45 5.077 2.123 -3.504 302 HA PRO 46 HA PRO 46 0.556 5.258 -0.019 303 HB2 PRO 46 2HB PRO 46 2.618 7.148 -1.070 304 HB3 PRO 46 1HB PRO 46 1.823 7.117 0.509 305 HG2 PRO 46 2HG PRO 46 4.326 6.253 0.247 306 HG3 PRO 46 1HG PRO 46 3.181 5.412 1.308 307 HD2 PRO 46 2HD PRO 46 4.193 4.632 -1.386 308 HD3 PRO 46 1HD PRO 46 3.762 3.610 0.000 309 H LYS 47 H LYS 47 -1.118 6.255 -0.997 310 HA LYS 47 HA LYS 47 -1.198 6.245 -3.878 311 HB2 LYS 47 2HB LYS 47 -3.021 5.354 -2.426 312 HB3 LYS 47 1HB LYS 47 -3.284 6.984 -1.816 313 HG2 LYS 47 2HG LYS 47 -3.557 7.566 -4.325 314 HG3 LYS 47 1HG LYS 47 -3.862 5.845 -4.486 315 HD2 LYS 47 2HD LYS 47 -5.742 5.926 -3.087 316 HD3 LYS 47 1HD LYS 47 -5.302 7.519 -2.461 317 HE2 LYS 47 2HE LYS 47 -5.883 7.071 -5.349 318 HE3 LYS 47 1HE LYS 47 -7.188 7.374 -4.204 319 HZ1 LYS 47 3HZ LYS 47 -6.160 9.479 -3.641 320 HZ2 LYS 47 1HZ LYS 47 -6.445 9.399 -5.309 321 HZ3 LYS 47 2HZ LYS 47 -4.878 9.177 -4.709 322 HA PRO 48 HA PRO 48 0.167 10.512 -4.122 323 HB2 PRO 48 2HB PRO 48 -1.418 10.317 -6.647 324 HB3 PRO 48 1HB PRO 48 0.212 10.952 -6.383 325 HG2 PRO 48 2HG PRO 48 -0.139 8.547 -7.466 326 HG3 PRO 48 1HG PRO 48 1.165 8.838 -6.300 327 HD2 PRO 48 2HD PRO 48 -1.426 7.411 -5.928 328 HD3 PRO 48 1HD PRO 48 0.156 7.094 -5.189 329 H GLN 49 H GLN 49 -0.656 12.368 -3.567 330 HA GLN 49 HA GLN 49 -3.576 12.618 -3.401 331 HB2 GLN 49 2HB GLN 49 -3.061 13.595 -1.033 332 HB3 GLN 49 1HB GLN 49 -3.189 11.859 -1.265 333 HG2 GLN 49 2HG GLN 49 -0.747 11.725 -1.449 334 HG3 GLN 49 1HG GLN 49 -0.646 13.446 -1.102 335 HE21 GLN 49 1HE2 GLN 49 -2.961 11.300 0.386 336 HE22 GLN 49 2HE2 GLN 49 -2.284 11.352 1.971 337 H SER 50 H SER 50 -0.408 14.176 -3.294 338 HA SER 50 HA SER 50 -1.663 16.788 -3.584 339 HB2 SER 50 2HB SER 50 1.251 15.969 -3.570 340 HB3 SER 50 1HB SER 50 0.674 17.636 -3.644 341 HG SER 50 HG SER 50 1.043 16.126 -1.497 342 H HIS 51 H HIS 51 0.773 14.998 -5.519 343 HA HIS 51 HA HIS 51 0.150 16.657 -7.813 344 HB2 HIS 51 2HB HIS 51 1.999 14.288 -7.575 345 HB3 HIS 51 1HB HIS 51 1.906 15.383 -8.951 346 HD1 HIS 51 HD1 HIS 51 3.599 14.935 -5.759 347 HD2 HIS 51 HD2 HIS 51 2.663 18.114 -8.261 348 HE1 HIS 51 HE1 HIS 51 5.060 16.838 -5.012 349 HE2 HIS 51 HE2 HIS 51 4.204 18.818 -6.319 Start of MODEL 6 1 H1 VAL 1 1H VAL 1 -5.435 12.532 9.343 2 H2 VAL 1 2H VAL 1 -5.010 14.086 8.823 3 H3 VAL 1 3H VAL 1 -3.857 13.103 9.585 4 HA VAL 1 HA VAL 1 -3.553 13.233 7.174 5 HB VAL 1 HB VAL 1 -3.480 10.760 6.751 6 HG11 VAL 1 1HG1 VAL 1 -2.368 11.716 9.388 7 HG12 VAL 1 2HG1 VAL 1 -1.609 11.892 7.805 8 HG13 VAL 1 3HG1 VAL 1 -1.824 10.288 8.507 9 HG21 VAL 1 3HG2 VAL 1 -4.020 9.252 8.621 10 HG22 VAL 1 1HG2 VAL 1 -5.449 10.081 8.003 11 HG23 VAL 1 2HG2 VAL 1 -4.701 10.616 9.508 12 H VAL 2 H VAL 2 -4.413 13.193 5.167 13 HA VAL 2 HA VAL 2 -7.308 12.632 5.009 14 HB VAL 2 HB VAL 2 -5.715 14.543 3.290 15 HG11 VAL 2 1HG1 VAL 2 -7.917 15.308 2.515 16 HG12 VAL 2 2HG1 VAL 2 -8.683 14.038 3.471 17 HG13 VAL 2 3HG1 VAL 2 -7.628 13.614 2.122 18 HG21 VAL 2 3HG2 VAL 2 -6.856 16.331 4.489 19 HG22 VAL 2 1HG2 VAL 2 -5.888 15.350 5.590 20 HG23 VAL 2 2HG2 VAL 2 -7.639 15.144 5.531 21 H TYR 3 H TYR 3 -7.627 10.739 4.041 22 HA TYR 3 HA TYR 3 -5.921 10.047 1.744 23 HB2 TYR 3 2HB TYR 3 -7.329 8.217 3.697 24 HB3 TYR 3 1HB TYR 3 -6.530 7.669 2.230 25 HD1 TYR 3 HD2 TYR 3 -4.021 9.095 2.175 26 HD2 TYR 3 HD1 TYR 3 -6.124 7.506 5.511 27 HE1 TYR 3 HE2 TYR 3 -1.902 8.892 3.410 28 HE2 TYR 3 HE1 TYR 3 -4.016 7.296 6.751 29 HH TYR 3 HH TYR 3 -1.133 8.763 5.778 30 H THR 4 H THR 4 -7.023 8.533 0.209 31 HA THR 4 HA THR 4 -9.858 9.188 -0.141 32 HB THR 4 HB THR 4 -9.220 9.011 -2.680 33 HG1 THR 4 HG1 THR 4 -6.805 10.184 -1.879 34 HG21 THR 4 3HG2 THR 4 -8.850 11.430 -2.773 35 HG22 THR 4 1HG2 THR 4 -8.500 11.448 -1.044 36 HG23 THR 4 2HG2 THR 4 -10.115 11.028 -1.613 37 H ASP 5 H ASP 5 -10.455 7.563 -2.263 38 HA ASP 5 HA ASP 5 -10.064 4.933 -1.058 39 HB2 ASP 5 2HB ASP 5 -11.707 5.636 -3.510 40 HB3 ASP 5 1HB ASP 5 -11.829 4.179 -2.530 41 H CYS 6 H CYS 6 -9.228 3.121 -2.300 42 HA CYS 6 HA CYS 6 -6.845 3.771 -3.619 43 HB2 CYS 6 2HB CYS 6 -8.348 1.171 -3.846 44 HB3 CYS 6 1HB CYS 6 -6.651 1.445 -4.231 45 HG CYS 6 HG CYS 6 -5.754 1.566 -1.703 46 H THR 7 H THR 7 -6.197 3.819 -5.708 47 HA THR 7 HA THR 7 -8.308 3.693 -7.740 48 HB THR 7 HB THR 7 -6.335 4.947 -8.960 49 HG1 THR 7 HG1 THR 7 -4.981 5.971 -7.670 50 HG21 THR 7 3HG2 THR 7 -7.405 7.084 -8.367 51 HG22 THR 7 1HG2 THR 7 -8.251 6.269 -7.051 52 HG23 THR 7 2HG2 THR 7 -8.593 5.829 -8.726 53 H GLU 8 H GLU 8 -5.345 2.327 -6.664 54 HA GLU 8 HA GLU 8 -5.026 0.859 -9.179 55 HB2 GLU 8 2HB GLU 8 -2.993 2.536 -7.745 56 HB3 GLU 8 1HB GLU 8 -2.498 1.242 -8.813 57 HG2 GLU 8 2HG GLU 8 -3.639 2.313 -10.672 58 HG3 GLU 8 1HG GLU 8 -4.227 3.579 -9.595 59 H SER 9 H SER 9 -3.846 -1.083 -9.004 60 HA SER 9 HA SER 9 -4.134 -2.339 -6.400 61 HB2 SER 9 2HB SER 9 -3.315 -3.526 -9.071 62 HB3 SER 9 1HB SER 9 -3.731 -4.429 -7.613 63 HG SER 9 HG SER 9 -5.366 -3.227 -9.474 64 H GLY 10 H GLY 10 -2.448 -2.584 -5.049 65 HA2 GLY 10 2HA GLY 10 -0.073 -3.102 -4.737 66 HA3 GLY 10 1HA GLY 10 0.263 -2.092 -6.138 67 H GLN 11 H GLN 11 -2.044 -0.412 -4.854 68 HA GLN 11 HA GLN 11 -0.257 1.352 -3.362 69 HB2 GLN 11 2HB GLN 11 -2.763 1.635 -4.839 70 HB3 GLN 11 1HB GLN 11 -2.843 2.433 -3.265 71 HG2 GLN 11 2HG GLN 11 -1.784 4.136 -4.154 72 HG3 GLN 11 1HG GLN 11 -0.363 3.128 -4.350 73 HE21 GLN 11 1HE2 GLN 11 -3.144 4.528 -5.888 74 HE22 GLN 11 2HE2 GLN 11 -2.608 4.273 -7.518 75 H ASN 12 H ASN 12 -1.105 2.265 -1.226 76 HA ASN 12 HA ASN 12 -2.791 0.308 0.145 77 HB2 ASN 12 2HB ASN 12 -1.280 0.604 2.182 78 HB3 ASN 12 1HB ASN 12 -0.771 -0.480 0.902 79 HD21 ASN 12 1HD2 ASN 12 1.341 -0.318 1.672 80 HD22 ASN 12 2HD2 ASN 12 2.327 1.065 1.335 81 H LEU 13 H LEU 13 -1.152 3.382 0.782 82 HA LEU 13 HA LEU 13 -2.733 4.272 2.886 83 HB2 LEU 13 2HB LEU 13 -1.184 5.847 0.835 84 HB3 LEU 13 1HB LEU 13 -1.877 6.546 2.285 85 HG LEU 13 HG LEU 13 0.178 4.332 2.327 86 HD11 LEU 13 1HD1 LEU 13 1.138 6.319 1.299 87 HD12 LEU 13 2HD1 LEU 13 1.789 6.081 2.921 88 HD13 LEU 13 3HD1 LEU 13 0.555 7.309 2.636 89 HD21 LEU 13 3HD2 LEU 13 -1.308 4.595 4.312 90 HD22 LEU 13 1HD2 LEU 13 -0.703 6.238 4.491 91 HD23 LEU 13 2HD2 LEU 13 0.399 4.869 4.653 92 H CYS 14 H CYS 14 -4.753 3.438 1.689 93 HA CYS 14 HA CYS 14 -6.353 5.758 1.052 94 HB2 CYS 14 2HB CYS 14 -7.256 4.207 -0.958 95 HB3 CYS 14 1HB CYS 14 -6.023 5.443 -1.173 96 HG CYS 14 HG CYS 14 -4.660 2.572 -0.267 97 H LEU 15 H LEU 15 -8.716 5.146 0.937 98 HA LEU 15 HA LEU 15 -9.325 3.084 2.880 99 HB2 LEU 15 2HB LEU 15 -11.573 4.247 1.362 100 HB3 LEU 15 1HB LEU 15 -11.376 4.024 3.082 101 HG LEU 15 HG LEU 15 -10.073 6.264 1.533 102 HD11 LEU 15 1HD1 LEU 15 -11.783 7.696 2.510 103 HD12 LEU 15 2HD1 LEU 15 -12.559 6.289 3.239 104 HD13 LEU 15 3HD1 LEU 15 -12.508 6.459 1.484 105 HD21 LEU 15 3HD2 LEU 15 -10.435 5.820 4.494 106 HD22 LEU 15 1HD2 LEU 15 -9.685 7.224 3.736 107 HD23 LEU 15 2HD2 LEU 15 -8.922 5.640 3.605 108 H CYS 16 H CYS 16 -8.878 1.166 2.047 109 HA CYS 16 HA CYS 16 -9.239 0.496 -0.688 110 HB2 CYS 16 2HB CYS 16 -7.414 -0.348 0.749 111 HB3 CYS 16 1HB CYS 16 -8.597 -1.253 1.681 112 HG CYS 16 HG CYS 16 -6.859 -2.437 -0.603 113 H GLU 17 H GLU 17 -10.399 -1.349 2.092 114 HA GLU 17 HA GLU 17 -12.802 -2.112 0.609 115 HB2 GLU 17 2HB GLU 17 -11.263 -3.644 2.117 116 HB3 GLU 17 1HB GLU 17 -12.201 -2.929 3.423 117 HG2 GLU 17 2HG GLU 17 -14.263 -3.734 2.331 118 HG3 GLU 17 1HG GLU 17 -13.265 -4.555 1.129 119 H GLY 18 H GLY 18 -14.896 -1.633 1.420 120 HA2 GLY 18 2HA GLY 18 -16.396 -0.020 2.243 121 HA3 GLY 18 1HA GLY 18 -15.924 -0.865 3.705 122 H SER 19 H SER 19 -14.633 0.139 5.203 123 HA SER 19 HA SER 19 -13.642 2.834 4.563 124 HB2 SER 19 2HB SER 19 -14.150 3.127 7.177 125 HB3 SER 19 1HB SER 19 -15.349 3.510 5.942 126 HG SER 19 HG SER 19 -15.148 0.948 7.155 127 H ASN 20 H ASN 20 -12.298 0.273 4.531 128 HA ASN 20 HA ASN 20 -10.571 0.194 6.854 129 HB2 ASN 20 2HB ASN 20 -10.486 -1.290 4.215 130 HB3 ASN 20 1HB ASN 20 -9.294 -1.508 5.489 131 HD21 ASN 20 1HD2 ASN 20 -12.725 -1.021 6.018 132 HD22 ASN 20 2HD2 ASN 20 -13.037 -2.599 6.643 133 H VAL 21 H VAL 21 -9.068 1.686 7.100 134 HA VAL 21 HA VAL 21 -7.967 3.068 4.783 135 HB VAL 21 HB VAL 21 -7.253 3.453 7.698 136 HG11 VAL 21 1HG1 VAL 21 -6.505 5.665 6.979 137 HG12 VAL 21 2HG1 VAL 21 -6.950 5.283 5.317 138 HG13 VAL 21 3HG1 VAL 21 -5.651 4.392 6.109 139 HG21 VAL 21 3HG2 VAL 21 -9.645 3.770 7.442 140 HG22 VAL 21 1HG2 VAL 21 -9.376 4.863 6.085 141 HG23 VAL 21 2HG2 VAL 21 -8.850 5.323 7.703 142 H CYS 22 H CYS 22 -6.692 1.511 3.790 143 HA CYS 22 HA CYS 22 -4.864 -0.128 5.224 144 HB2 CYS 22 2HB CYS 22 -5.791 0.040 2.538 145 HB3 CYS 22 1HB CYS 22 -4.042 0.184 2.498 146 HG CYS 22 HG CYS 22 -5.860 -2.415 3.742 147 H GLY 23 H GLY 23 -2.634 0.006 5.347 148 HA2 GLY 23 2HA GLY 23 -1.438 2.591 4.654 149 HA3 GLY 23 1HA GLY 23 -1.305 1.990 6.303 150 H GLN 24 H GLN 24 0.984 1.855 6.177 151 HA GLN 24 HA GLN 24 2.069 0.207 4.047 152 HB2 GLN 24 2HB GLN 24 3.238 2.294 4.753 153 HB3 GLN 24 1HB GLN 24 3.554 1.545 6.316 154 HG2 GLN 24 2HG GLN 24 5.478 1.428 4.773 155 HG3 GLN 24 1HG GLN 24 4.906 -0.161 5.285 156 HE21 GLN 24 1HE2 GLN 24 5.256 2.057 2.654 157 HE22 GLN 24 2HE2 GLN 24 4.838 0.937 1.396 158 H GLY 25 H GLY 25 3.031 -1.760 4.329 159 HA2 GLY 25 2HA GLY 25 3.461 -3.737 5.612 160 HA3 GLY 25 1HA GLY 25 2.385 -3.116 6.867 161 H ASN 26 H ASN 26 0.767 -2.212 4.363 162 HA ASN 26 HA ASN 26 -0.438 -4.811 3.713 163 HB2 ASN 26 2HB ASN 26 -1.818 -2.199 4.343 164 HB3 ASN 26 1HB ASN 26 -2.625 -3.528 3.521 165 HD21 ASN 26 1HD2 ASN 26 -1.258 -2.415 6.518 166 HD22 ASN 26 2HD2 ASN 26 -1.958 -3.643 7.521 167 H LYS 27 H LYS 27 -1.507 -4.867 1.633 168 HA LYS 27 HA LYS 27 -0.776 -2.723 -0.221 169 HB2 LYS 27 2HB LYS 27 0.995 -4.403 -0.395 170 HB3 LYS 27 1HB LYS 27 -0.201 -5.662 -0.658 171 HG2 LYS 27 2HG LYS 27 -0.468 -5.138 -2.824 172 HG3 LYS 27 1HG LYS 27 -0.316 -3.404 -2.536 173 HD2 LYS 27 2HD LYS 27 1.557 -4.149 -3.859 174 HD3 LYS 27 1HD LYS 27 2.124 -3.704 -2.248 175 HE2 LYS 27 2HE LYS 27 3.243 -5.699 -2.730 176 HE3 LYS 27 1HE LYS 27 1.913 -6.190 -1.682 177 HZ1 LYS 27 3HZ LYS 27 1.915 -6.366 -4.649 178 HZ2 LYS 27 1HZ LYS 27 0.675 -6.900 -3.622 179 HZ3 LYS 27 2HZ LYS 27 2.189 -7.665 -3.598 180 H CYS 28 H CYS 28 -2.558 -2.141 -1.314 181 HA CYS 28 HA CYS 28 -4.900 -3.849 -1.179 182 HB2 CYS 28 2HB CYS 28 -4.536 -1.029 -2.196 183 HB3 CYS 28 1HB CYS 28 -6.075 -1.871 -2.075 184 HG CYS 28 HG CYS 28 -4.415 -1.856 0.805 185 H ILE 29 H ILE 29 -5.962 -4.689 -2.913 186 HA ILE 29 HA ILE 29 -4.877 -4.139 -5.576 187 HB ILE 29 HB ILE 29 -5.354 -6.623 -6.077 188 HG12 ILE 29 2HG1 ILE 29 -4.910 -6.752 -3.092 189 HG13 ILE 29 1HG1 ILE 29 -6.445 -7.070 -3.897 190 HG21 ILE 29 1HG2 ILE 29 -3.072 -7.244 -5.451 191 HG22 ILE 29 2HG2 ILE 29 -2.977 -5.831 -4.401 192 HG23 ILE 29 3HG2 ILE 29 -3.136 -5.626 -6.144 193 HD11 ILE 29 3HD1 ILE 29 -3.911 -8.654 -4.266 194 HD12 ILE 29 1HD1 ILE 29 -5.467 -8.988 -5.027 195 HD13 ILE 29 2HD1 ILE 29 -5.291 -9.129 -3.279 196 H LEU 30 H LEU 30 -6.356 -3.727 -7.019 197 HA LEU 30 HA LEU 30 -9.165 -4.080 -6.370 198 HB2 LEU 30 2HB LEU 30 -7.764 -2.649 -8.633 199 HB3 LEU 30 1HB LEU 30 -9.506 -2.793 -8.513 200 HG LEU 30 HG LEU 30 -9.298 -1.623 -6.256 201 HD11 LEU 30 1HD1 LEU 30 -6.908 -1.925 -5.937 202 HD12 LEU 30 2HD1 LEU 30 -7.359 -0.219 -5.913 203 HD13 LEU 30 3HD1 LEU 30 -6.592 -0.910 -7.344 204 HD21 LEU 30 3HD2 LEU 30 -10.192 -0.554 -8.256 205 HD22 LEU 30 1HD2 LEU 30 -8.558 -0.111 -8.753 206 HD23 LEU 30 2HD2 LEU 30 -9.254 0.583 -7.288 207 H GLY 31 H GLY 31 -10.197 -5.861 -7.005 208 HA2 GLY 31 2HA GLY 31 -9.147 -7.268 -9.375 209 HA3 GLY 31 1HA GLY 31 -9.700 -8.115 -7.939 210 H ARG 32 H ARG 32 -11.673 -8.877 -7.986 211 HA ARG 32 HA ARG 32 -13.696 -7.629 -9.683 212 HB2 ARG 32 2HB ARG 32 -14.201 -10.176 -10.337 213 HB3 ARG 32 1HB ARG 32 -13.155 -9.141 -11.298 214 HG2 ARG 32 2HG ARG 32 -11.271 -10.251 -10.699 215 HG3 ARG 32 1HG ARG 32 -11.894 -10.678 -9.105 216 HD2 ARG 32 2HD ARG 32 -13.009 -11.890 -11.615 217 HD3 ARG 32 1HD ARG 32 -11.590 -12.563 -10.811 218 HE ARG 32 HE ARG 32 -13.043 -12.779 -8.799 219 HH11 ARG 32 1HH1 ARG 32 -14.470 -12.657 -11.994 220 HH12 ARG 32 2HH1 ARG 32 -15.894 -13.544 -11.530 221 HH21 ARG 32 1HH2 ARG 32 -14.901 -13.936 -8.179 222 HH22 ARG 32 2HH2 ARG 32 -16.147 -14.262 -9.358 223 H GLY 33 H GLY 33 -15.866 -8.457 -9.312 224 HA2 GLY 33 2HA GLY 33 -17.588 -9.252 -8.006 225 HA3 GLY 33 1HA GLY 33 -16.417 -10.243 -7.147 226 H ASP 34 H ASP 34 -16.493 -9.844 -5.055 227 HA ASP 34 HA ASP 34 -17.080 -7.135 -4.120 228 HB2 ASP 34 2HB ASP 34 -16.821 -9.760 -2.635 229 HB3 ASP 34 1HB ASP 34 -17.116 -8.214 -1.848 230 H SER 35 H SER 35 -14.492 -9.069 -4.910 231 HA SER 35 HA SER 35 -12.625 -7.853 -3.038 232 HB2 SER 35 2HB SER 35 -12.375 -10.246 -3.600 233 HB3 SER 35 1HB SER 35 -12.164 -9.826 -5.298 234 HG SER 35 HG SER 35 -10.344 -8.458 -4.387 235 H LYS 36 H LYS 36 -14.092 -6.232 -4.950 236 HA LYS 36 HA LYS 36 -12.486 -5.479 -7.134 237 HB2 LYS 36 2HB LYS 36 -13.886 -3.347 -7.053 238 HB3 LYS 36 1HB LYS 36 -14.744 -4.860 -7.283 239 HG2 LYS 36 2HG LYS 36 -16.063 -3.699 -5.776 240 HG3 LYS 36 1HG LYS 36 -15.151 -4.788 -4.742 241 HD2 LYS 36 2HD LYS 36 -13.584 -2.940 -4.241 242 HD3 LYS 36 1HD LYS 36 -14.584 -1.870 -5.223 243 HE2 LYS 36 2HE LYS 36 -16.510 -2.451 -3.721 244 HE3 LYS 36 1HE LYS 36 -15.361 -3.286 -2.682 245 HZ1 LYS 36 3HZ LYS 36 -15.500 -0.387 -3.286 246 HZ2 LYS 36 1HZ LYS 36 -14.146 -1.097 -2.557 247 HZ3 LYS 36 2HZ LYS 36 -15.647 -1.153 -1.782 248 H ASN 37 H ASN 37 -12.281 -4.809 -3.808 249 HA ASN 37 HA ASN 37 -9.792 -3.419 -4.197 250 HB2 ASN 37 2HB ASN 37 -11.993 -1.813 -3.934 251 HB3 ASN 37 1HB ASN 37 -11.519 -2.014 -2.252 252 HD21 ASN 37 1HD2 ASN 37 -8.672 -2.252 -2.892 253 HD22 ASN 37 2HD2 ASN 37 -8.151 -0.657 -3.291 254 H GLN 38 H GLN 38 -8.711 -5.033 -3.104 255 HA GLN 38 HA GLN 38 -9.758 -5.730 -0.428 256 HB2 GLN 38 2HB GLN 38 -9.904 -7.485 -2.295 257 HB3 GLN 38 1HB GLN 38 -8.156 -7.595 -2.173 258 HG2 GLN 38 2HG GLN 38 -8.996 -9.350 -0.878 259 HG3 GLN 38 1HG GLN 38 -8.485 -8.120 0.274 260 HE21 GLN 38 1HE2 GLN 38 -10.883 -6.456 -0.288 261 HE22 GLN 38 2HE2 GLN 38 -12.173 -7.243 0.544 262 H CYS 39 H CYS 39 -8.255 -6.113 1.239 263 HA CYS 39 HA CYS 39 -5.657 -4.854 0.809 264 HB2 CYS 39 2HB CYS 39 -7.266 -5.385 3.296 265 HB3 CYS 39 1HB CYS 39 -5.625 -4.768 3.330 266 HG CYS 39 HG CYS 39 -7.695 -2.986 1.401 267 H VAL 40 H VAL 40 -4.047 -6.254 0.404 268 HA VAL 40 HA VAL 40 -3.993 -8.788 1.884 269 HB VAL 40 HB VAL 40 -3.695 -8.508 -0.703 270 HG11 VAL 40 1HG1 VAL 40 -0.887 -7.987 0.251 271 HG12 VAL 40 2HG1 VAL 40 -1.911 -6.885 -0.670 272 HG13 VAL 40 3HG1 VAL 40 -1.347 -8.386 -1.405 273 HG21 VAL 40 3HG2 VAL 40 -1.909 -10.298 0.935 274 HG22 VAL 40 1HG2 VAL 40 -2.311 -10.531 -0.767 275 HG23 VAL 40 2HG2 VAL 40 -3.576 -10.628 0.459 276 H THR 41 H THR 41 -1.923 -9.411 2.875 277 HA THR 41 HA THR 41 -0.713 -7.078 4.125 278 HB THR 41 HB THR 41 0.393 -8.784 5.635 279 HG1 THR 41 HG1 THR 41 -1.470 -10.559 4.391 280 HG21 THR 41 3HG2 THR 41 -2.623 -8.747 5.516 281 HG22 THR 41 1HG2 THR 41 -1.595 -7.564 6.328 282 HG23 THR 41 2HG2 THR 41 -1.659 -9.228 6.912 283 H GLY 42 H GLY 42 1.181 -6.297 3.585 284 HA2 GLY 42 2HA GLY 42 3.484 -7.711 2.931 285 HA3 GLY 42 1HA GLY 42 2.683 -7.314 1.415 286 H GLU 43 H GLU 43 3.519 -5.542 0.507 287 HA GLU 43 HA GLU 43 3.586 -3.120 2.091 288 HB2 GLU 43 2HB GLU 43 5.877 -2.516 1.371 289 HB3 GLU 43 1HB GLU 43 5.829 -3.889 2.465 290 HG2 GLU 43 2HG GLU 43 5.977 -5.364 0.432 291 HG3 GLU 43 1HG GLU 43 6.322 -3.902 -0.493 292 H GLY 44 H GLY 44 2.739 -1.519 0.953 293 HA2 GLY 44 2HA GLY 44 2.412 -1.973 -1.930 294 HA3 GLY 44 1HA GLY 44 1.285 -1.091 -0.917 295 H THR 45 H THR 45 1.316 0.685 -2.252 296 HA THR 45 HA THR 45 3.739 2.330 -2.085 297 HB THR 45 HB THR 45 2.506 3.114 -4.442 298 HG1 THR 45 HG1 THR 45 2.190 0.371 -4.052 299 HG21 THR 45 3HG2 THR 45 4.504 2.186 -5.544 300 HG22 THR 45 1HG2 THR 45 4.876 1.273 -4.082 301 HG23 THR 45 2HG2 THR 45 4.915 3.036 -4.055 302 HA PRO 46 HA PRO 46 0.919 5.451 -0.614 303 HB2 PRO 46 2HB PRO 46 2.690 7.350 -2.046 304 HB3 PRO 46 1HB PRO 46 2.221 7.323 -0.344 305 HG2 PRO 46 2HG PRO 46 4.679 6.603 -1.117 306 HG3 PRO 46 1HG PRO 46 3.852 5.779 0.218 307 HD2 PRO 46 2HD PRO 46 4.263 4.882 -2.603 308 HD3 PRO 46 1HD PRO 46 4.296 3.937 -1.100 309 H LYS 47 H LYS 47 -0.883 6.339 -1.478 310 HA LYS 47 HA LYS 47 -1.269 5.961 -4.305 311 HB2 LYS 47 2HB LYS 47 -2.883 5.142 -2.586 312 HB3 LYS 47 1HB LYS 47 -3.210 6.817 -2.151 313 HG2 LYS 47 2HG LYS 47 -3.714 7.050 -4.693 314 HG3 LYS 47 1HG LYS 47 -3.944 5.313 -4.587 315 HD2 LYS 47 2HD LYS 47 -5.718 5.516 -3.081 316 HD3 LYS 47 1HD LYS 47 -5.297 7.185 -2.680 317 HE2 LYS 47 2HE LYS 47 -5.926 6.566 -5.493 318 HE3 LYS 47 1HE LYS 47 -7.272 6.559 -4.356 319 HZ1 LYS 47 3HZ LYS 47 -6.971 8.722 -5.405 320 HZ2 LYS 47 1HZ LYS 47 -5.391 8.822 -4.793 321 HZ3 LYS 47 2HZ LYS 47 -6.713 8.817 -3.732 322 HA PRO 48 HA PRO 48 -0.953 10.307 -5.500 323 HB2 PRO 48 2HB PRO 48 -3.207 9.366 -7.230 324 HB3 PRO 48 1HB PRO 48 -1.795 10.339 -7.660 325 HG2 PRO 48 2HG PRO 48 -1.886 7.758 -8.289 326 HG3 PRO 48 1HG PRO 48 -0.377 8.495 -7.716 327 HD2 PRO 48 2HD PRO 48 -2.270 6.692 -6.292 328 HD3 PRO 48 1HD PRO 48 -0.507 6.828 -6.139 329 H GLN 49 H GLN 49 -2.103 12.109 -5.000 330 HA GLN 49 HA GLN 49 -4.562 11.649 -3.451 331 HB2 GLN 49 2HB GLN 49 -3.368 13.258 -1.763 332 HB3 GLN 49 1HB GLN 49 -3.031 11.536 -1.762 333 HG2 GLN 49 2HG GLN 49 -1.071 11.996 -3.236 334 HG3 GLN 49 1HG GLN 49 -1.349 13.711 -2.953 335 HE21 GLN 49 1HE2 GLN 49 -0.402 10.686 -1.547 336 HE22 GLN 49 2HE2 GLN 49 0.314 11.340 -0.111 337 H SER 50 H SER 50 -2.709 13.635 -5.505 338 HA SER 50 HA SER 50 -4.254 16.017 -4.902 339 HB2 SER 50 2HB SER 50 -1.787 16.028 -5.547 340 HB3 SER 50 1HB SER 50 -2.311 15.646 -7.187 341 HG SER 50 HG SER 50 -2.547 17.722 -7.389 342 H HIS 51 H HIS 51 -5.604 17.072 -6.498 343 HA HIS 51 HA HIS 51 -7.392 15.075 -7.512 344 HB2 HIS 51 2HB HIS 51 -7.576 18.078 -7.708 345 HB3 HIS 51 1HB HIS 51 -8.877 16.946 -8.050 346 HD1 HIS 51 HD1 HIS 51 -8.453 19.246 -5.668 347 HD2 HIS 51 HD2 HIS 51 -8.724 15.108 -5.365 348 HE1 HIS 51 HE1 HIS 51 -9.164 18.781 -3.303 349 HE2 HIS 51 HE2 HIS 51 -9.595 16.302 -3.241 Start of MODEL 7 1 H1 VAL 1 1H VAL 1 -6.815 13.990 9.330 2 H2 VAL 1 2H VAL 1 -5.167 14.108 9.719 3 H3 VAL 1 3H VAL 1 -5.935 12.595 9.727 4 HA VAL 1 HA VAL 1 -5.348 14.294 7.388 5 HB VAL 1 HB VAL 1 -4.487 11.501 8.080 6 HG11 VAL 1 1HG1 VAL 1 -3.053 11.662 6.106 7 HG12 VAL 1 2HG1 VAL 1 -3.754 13.238 5.738 8 HG13 VAL 1 3HG1 VAL 1 -4.763 11.790 5.687 9 HG21 VAL 1 3HG2 VAL 1 -2.902 14.059 8.021 10 HG22 VAL 1 1HG2 VAL 1 -2.226 12.447 8.252 11 HG23 VAL 1 2HG2 VAL 1 -3.324 13.123 9.456 12 H VAL 2 H VAL 2 -6.592 14.067 5.645 13 HA VAL 2 HA VAL 2 -8.698 12.008 5.720 14 HB VAL 2 HB VAL 2 -8.633 14.567 4.104 15 HG11 VAL 2 1HG1 VAL 2 -11.018 14.109 3.729 16 HG12 VAL 2 2HG1 VAL 2 -10.847 12.573 4.580 17 HG13 VAL 2 3HG1 VAL 2 -9.983 12.843 3.066 18 HG21 VAL 2 3HG2 VAL 2 -10.328 15.388 5.685 19 HG22 VAL 2 1HG2 VAL 2 -8.777 15.081 6.463 20 HG23 VAL 2 2HG2 VAL 2 -10.103 13.935 6.661 21 H TYR 3 H TYR 3 -8.153 10.287 4.549 22 HA TYR 3 HA TYR 3 -6.497 10.607 2.174 23 HB2 TYR 3 2HB TYR 3 -7.358 8.277 3.836 24 HB3 TYR 3 1HB TYR 3 -6.863 8.001 2.170 25 HD1 TYR 3 HD2 TYR 3 -4.571 9.332 1.572 26 HD2 TYR 3 HD1 TYR 3 -5.724 7.973 5.432 27 HE1 TYR 3 HE2 TYR 3 -2.208 9.297 2.258 28 HE2 TYR 3 HE1 TYR 3 -3.368 7.931 6.127 29 HH TYR 3 HH TYR 3 -1.136 7.755 5.070 30 H THR 4 H THR 4 -7.257 8.787 0.462 31 HA THR 4 HA THR 4 -10.056 9.357 -0.201 32 HB THR 4 HB THR 4 -9.406 9.451 -2.579 33 HG1 THR 4 HG1 THR 4 -7.554 8.291 -2.709 34 HG21 THR 4 3HG2 THR 4 -8.266 11.618 -2.558 35 HG22 THR 4 1HG2 THR 4 -7.817 11.372 -0.869 36 HG23 THR 4 2HG2 THR 4 -9.514 11.548 -1.315 37 H ASP 5 H ASP 5 -10.290 7.734 -2.422 38 HA ASP 5 HA ASP 5 -9.958 5.100 -1.228 39 HB2 ASP 5 2HB ASP 5 -11.271 5.975 -3.826 40 HB3 ASP 5 1HB ASP 5 -11.221 4.314 -3.254 41 H CYS 6 H CYS 6 -9.264 3.343 -2.904 42 HA CYS 6 HA CYS 6 -6.553 3.930 -3.543 43 HB2 CYS 6 2HB CYS 6 -8.114 1.459 -4.279 44 HB3 CYS 6 1HB CYS 6 -6.369 1.610 -4.150 45 HG CYS 6 HG CYS 6 -7.488 0.113 -1.989 46 H THR 7 H THR 7 -5.607 4.308 -5.439 47 HA THR 7 HA THR 7 -7.342 4.729 -7.763 48 HB THR 7 HB THR 7 -4.519 5.730 -7.301 49 HG1 THR 7 HG1 THR 7 -6.717 7.459 -7.237 50 HG21 THR 7 3HG2 THR 7 -5.026 7.301 -9.108 51 HG22 THR 7 1HG2 THR 7 -6.611 6.556 -9.318 52 HG23 THR 7 2HG2 THR 7 -5.148 5.632 -9.663 53 H GLU 8 H GLU 8 -4.819 2.708 -6.575 54 HA GLU 8 HA GLU 8 -4.602 1.419 -9.189 55 HB2 GLU 8 2HB GLU 8 -2.658 3.044 -8.721 56 HB3 GLU 8 1HB GLU 8 -2.161 1.891 -7.500 57 HG2 GLU 8 2HG GLU 8 -1.959 0.153 -9.185 58 HG3 GLU 8 1HG GLU 8 -2.495 1.284 -10.426 59 H SER 9 H SER 9 -3.873 -0.714 -9.097 60 HA SER 9 HA SER 9 -4.458 -2.080 -6.599 61 HB2 SER 9 2HB SER 9 -3.811 -3.220 -9.340 62 HB3 SER 9 1HB SER 9 -4.421 -4.120 -7.942 63 HG SER 9 HG SER 9 -5.749 -2.333 -9.642 64 H GLY 10 H GLY 10 -2.834 -2.290 -5.242 65 HA2 GLY 10 2HA GLY 10 -0.560 -3.239 -4.919 66 HA3 GLY 10 1HA GLY 10 -0.088 -2.314 -6.340 67 H GLN 11 H GLN 11 -2.271 -0.442 -4.883 68 HA GLN 11 HA GLN 11 -0.295 1.128 -3.435 69 HB2 GLN 11 2HB GLN 11 -2.805 1.662 -4.749 70 HB3 GLN 11 1HB GLN 11 -2.894 2.218 -3.073 71 HG2 GLN 11 2HG GLN 11 -1.925 4.068 -3.860 72 HG3 GLN 11 1HG GLN 11 -0.452 3.113 -3.816 73 HE21 GLN 11 1HE2 GLN 11 -2.810 4.616 -5.781 74 HE22 GLN 11 2HE2 GLN 11 -2.023 4.357 -7.302 75 H ASN 12 H ASN 12 -1.673 2.186 -1.323 76 HA ASN 12 HA ASN 12 -3.061 0.132 0.110 77 HB2 ASN 12 2HB ASN 12 -1.419 0.241 2.059 78 HB3 ASN 12 1HB ASN 12 -1.034 -0.793 0.696 79 HD21 ASN 12 1HD2 ASN 12 1.104 -0.780 1.346 80 HD22 ASN 12 2HD2 ASN 12 2.146 0.566 1.041 81 H LEU 13 H LEU 13 -1.219 3.090 0.767 82 HA LEU 13 HA LEU 13 -2.729 4.022 2.925 83 HB2 LEU 13 2HB LEU 13 -1.011 5.452 0.918 84 HB3 LEU 13 1HB LEU 13 -1.778 6.288 2.256 85 HG LEU 13 HG LEU 13 0.110 3.959 2.630 86 HD11 LEU 13 1HD1 LEU 13 1.291 5.798 1.542 87 HD12 LEU 13 2HD1 LEU 13 1.797 5.631 3.222 88 HD13 LEU 13 3HD1 LEU 13 0.685 6.919 2.759 89 HD21 LEU 13 3HD2 LEU 13 0.205 4.726 4.919 90 HD22 LEU 13 1HD2 LEU 13 -1.477 4.447 4.471 91 HD23 LEU 13 2HD2 LEU 13 -0.845 6.090 4.543 92 H CYS 14 H CYS 14 -4.771 3.295 1.710 93 HA CYS 14 HA CYS 14 -6.257 5.715 1.124 94 HB2 CYS 14 2HB CYS 14 -7.233 4.304 -0.930 95 HB3 CYS 14 1HB CYS 14 -5.890 5.414 -1.108 96 HG CYS 14 HG CYS 14 -5.554 2.045 -0.643 97 H LEU 15 H LEU 15 -8.666 5.201 0.970 98 HA LEU 15 HA LEU 15 -9.357 3.264 3.001 99 HB2 LEU 15 2HB LEU 15 -11.537 4.377 1.368 100 HB3 LEU 15 1HB LEU 15 -11.388 4.249 3.106 101 HG LEU 15 HG LEU 15 -9.977 6.357 1.465 102 HD11 LEU 15 1HD1 LEU 15 -11.684 7.901 2.294 103 HD12 LEU 15 2HD1 LEU 15 -12.554 6.545 3.014 104 HD13 LEU 15 3HD1 LEU 15 -12.374 6.647 1.262 105 HD21 LEU 15 3HD2 LEU 15 -9.614 7.451 3.581 106 HD22 LEU 15 1HD2 LEU 15 -8.967 5.814 3.643 107 HD23 LEU 15 2HD2 LEU 15 -10.506 6.184 4.424 108 H CYS 16 H CYS 16 -8.900 1.257 2.191 109 HA CYS 16 HA CYS 16 -9.827 0.570 -0.459 110 HB2 CYS 16 2HB CYS 16 -7.516 0.042 0.314 111 HB3 CYS 16 1HB CYS 16 -8.213 -1.077 1.474 112 HG CYS 16 HG CYS 16 -9.467 -2.569 -0.701 113 H GLU 17 H GLU 17 -9.878 -1.021 2.704 114 HA GLU 17 HA GLU 17 -11.998 -2.784 1.828 115 HB2 GLU 17 2HB GLU 17 -9.958 -2.987 3.620 116 HB3 GLU 17 1HB GLU 17 -11.370 -2.735 4.633 117 HG2 GLU 17 2HG GLU 17 -12.446 -4.663 3.703 118 HG3 GLU 17 1HG GLU 17 -11.140 -4.877 2.536 119 H GLY 18 H GLY 18 -13.899 -1.936 1.793 120 HA2 GLY 18 2HA GLY 18 -15.757 -0.652 2.269 121 HA3 GLY 18 1HA GLY 18 -15.444 -1.137 3.930 122 H SER 19 H SER 19 -14.534 0.293 5.346 123 HA SER 19 HA SER 19 -13.819 2.953 4.287 124 HB2 SER 19 2HB SER 19 -14.489 3.697 6.670 125 HB3 SER 19 1HB SER 19 -15.774 3.353 5.513 126 HG SER 19 HG SER 19 -15.361 2.247 7.892 127 H ASN 20 H ASN 20 -12.357 0.316 5.214 128 HA ASN 20 HA ASN 20 -10.681 1.187 7.364 129 HB2 ASN 20 2HB ASN 20 -10.445 -1.093 5.395 130 HB3 ASN 20 1HB ASN 20 -9.220 -0.765 6.611 131 HD21 ASN 20 1HD2 ASN 20 -12.676 -0.365 7.089 132 HD22 ASN 20 2HD2 ASN 20 -12.851 -1.646 8.239 133 H VAL 21 H VAL 21 -9.002 2.445 7.295 134 HA VAL 21 HA VAL 21 -7.905 3.352 4.743 135 HB VAL 21 HB VAL 21 -7.008 4.179 7.510 136 HG11 VAL 21 1HG1 VAL 21 -6.364 6.254 6.379 137 HG12 VAL 21 2HG1 VAL 21 -6.904 5.574 4.845 138 HG13 VAL 21 3HG1 VAL 21 -5.550 4.843 5.704 139 HG21 VAL 21 3HG2 VAL 21 -9.285 5.348 5.923 140 HG22 VAL 21 1HG2 VAL 21 -8.586 6.065 7.372 141 HG23 VAL 21 2HG2 VAL 21 -9.402 4.505 7.463 142 H CYS 22 H CYS 22 -6.517 1.856 3.935 143 HA CYS 22 HA CYS 22 -4.814 0.377 5.736 144 HB2 CYS 22 2HB CYS 22 -5.624 0.122 2.899 145 HB3 CYS 22 1HB CYS 22 -4.003 -0.418 3.295 146 HG CYS 22 HG CYS 22 -4.857 -2.178 5.331 147 H GLY 23 H GLY 23 -2.497 0.142 5.269 148 HA2 GLY 23 2HA GLY 23 -1.234 2.441 4.004 149 HA3 GLY 23 1HA GLY 23 -0.948 2.224 5.726 150 H GLN 24 H GLN 24 1.167 1.605 5.785 151 HA GLN 24 HA GLN 24 2.179 -0.114 3.691 152 HB2 GLN 24 2HB GLN 24 3.451 1.870 4.614 153 HB3 GLN 24 1HB GLN 24 3.679 0.939 6.092 154 HG2 GLN 24 2HG GLN 24 5.640 0.710 4.764 155 HG3 GLN 24 1HG GLN 24 4.780 -0.827 4.729 156 HE21 GLN 24 1HE2 GLN 24 3.909 2.050 2.897 157 HE22 GLN 24 2HE2 GLN 24 4.270 1.384 1.339 158 H GLY 25 H GLY 25 2.818 -2.185 3.924 159 HA2 GLY 25 2HA GLY 25 3.149 -4.173 5.258 160 HA3 GLY 25 1HA GLY 25 2.036 -3.493 6.444 161 H ASN 26 H ASN 26 0.452 -2.502 4.023 162 HA ASN 26 HA ASN 26 -0.760 -5.081 3.288 163 HB2 ASN 26 2HB ASN 26 -2.083 -2.428 3.831 164 HB3 ASN 26 1HB ASN 26 -2.889 -3.716 2.943 165 HD21 ASN 26 1HD2 ASN 26 -1.809 -2.607 6.030 166 HD22 ASN 26 2HD2 ASN 26 -2.523 -3.877 6.969 167 H LYS 27 H LYS 27 -1.739 -5.197 1.215 168 HA LYS 27 HA LYS 27 -0.812 -3.234 -0.762 169 HB2 LYS 27 2HB LYS 27 0.590 -5.252 -0.858 170 HB3 LYS 27 1HB LYS 27 -0.848 -6.254 -0.990 171 HG2 LYS 27 2HG LYS 27 -0.408 -6.159 -3.171 172 HG3 LYS 27 1HG LYS 27 -1.214 -4.597 -3.084 173 HD2 LYS 27 2HD LYS 27 0.802 -4.203 -4.240 174 HD3 LYS 27 1HD LYS 27 1.067 -3.603 -2.607 175 HE2 LYS 27 2HE LYS 27 3.018 -4.797 -3.207 176 HE3 LYS 27 1HE LYS 27 2.125 -5.834 -2.096 177 HZ1 LYS 27 3HZ LYS 27 1.326 -7.128 -3.929 178 HZ2 LYS 27 1HZ LYS 27 3.015 -7.014 -4.045 179 HZ3 LYS 27 2HZ LYS 27 2.028 -6.070 -5.056 180 H CYS 28 H CYS 28 -2.682 -2.278 -1.401 181 HA CYS 28 HA CYS 28 -5.168 -3.775 -1.355 182 HB2 CYS 28 2HB CYS 28 -4.592 -0.871 -1.991 183 HB3 CYS 28 1HB CYS 28 -6.194 -1.580 -1.828 184 HG CYS 28 HG CYS 28 -5.959 -2.146 0.868 185 H ILE 29 H ILE 29 -6.111 -4.615 -3.116 186 HA ILE 29 HA ILE 29 -5.169 -3.738 -5.753 187 HB ILE 29 HB ILE 29 -5.476 -6.176 -6.469 188 HG12 ILE 29 2HG1 ILE 29 -5.102 -6.595 -3.499 189 HG13 ILE 29 1HG1 ILE 29 -6.597 -6.898 -4.378 190 HG21 ILE 29 1HG2 ILE 29 -3.315 -5.070 -6.379 191 HG22 ILE 29 2HG2 ILE 29 -3.178 -6.741 -5.831 192 HG23 ILE 29 3HG2 ILE 29 -3.188 -5.425 -4.656 193 HD11 ILE 29 3HD1 ILE 29 -5.488 -8.628 -5.682 194 HD12 ILE 29 1HD1 ILE 29 -5.370 -8.955 -3.953 195 HD13 ILE 29 2HD1 ILE 29 -3.978 -8.311 -4.827 196 H LEU 30 H LEU 30 -6.715 -3.207 -7.084 197 HA LEU 30 HA LEU 30 -9.488 -3.737 -6.452 198 HB2 LEU 30 2HB LEU 30 -8.223 -2.179 -8.719 199 HB3 LEU 30 1HB LEU 30 -9.947 -2.321 -8.453 200 HG LEU 30 HG LEU 30 -9.508 -1.226 -6.175 201 HD11 LEU 30 1HD1 LEU 30 -6.939 -0.483 -7.558 202 HD12 LEU 30 2HD1 LEU 30 -7.093 -1.490 -6.118 203 HD13 LEU 30 3HD1 LEU 30 -7.544 0.216 -6.055 204 HD21 LEU 30 3HD2 LEU 30 -10.645 -0.100 -7.996 205 HD22 LEU 30 1HD2 LEU 30 -9.095 0.329 -8.720 206 HD23 LEU 30 2HD2 LEU 30 -9.562 1.019 -7.166 207 H GLY 31 H GLY 31 -9.411 -6.028 -6.772 208 HA2 GLY 31 2HA GLY 31 -8.781 -6.984 -9.451 209 HA3 GLY 31 1HA GLY 31 -9.129 -7.979 -8.045 210 H ARG 32 H ARG 32 -11.040 -8.908 -7.955 211 HA ARG 32 HA ARG 32 -13.428 -7.744 -8.983 212 HB2 ARG 32 2HB ARG 32 -13.855 -9.492 -10.710 213 HB3 ARG 32 1HB ARG 32 -12.541 -8.401 -11.128 214 HG2 ARG 32 2HG ARG 32 -10.915 -10.075 -10.440 215 HG3 ARG 32 1HG ARG 32 -12.224 -11.169 -9.990 216 HD2 ARG 32 2HD ARG 32 -12.971 -11.292 -12.270 217 HD3 ARG 32 1HD ARG 32 -11.810 -10.058 -12.760 218 HE ARG 32 HE ARG 32 -10.224 -11.970 -11.719 219 HH11 ARG 32 1HH1 ARG 32 -12.827 -12.092 -14.060 220 HH12 ARG 32 2HH1 ARG 32 -12.135 -13.418 -14.946 221 HH21 ARG 32 1HH2 ARG 32 -9.316 -13.711 -12.868 222 HH22 ARG 32 2HH2 ARG 32 -10.127 -14.336 -14.275 223 H GLY 33 H GLY 33 -15.193 -9.596 -9.058 224 HA2 GLY 33 2HA GLY 33 -16.341 -11.211 -7.885 225 HA3 GLY 33 1HA GLY 33 -14.788 -11.842 -7.353 226 H ASP 34 H ASP 34 -14.480 -11.789 -5.242 227 HA ASP 34 HA ASP 34 -15.967 -9.842 -3.628 228 HB2 ASP 34 2HB ASP 34 -16.009 -12.259 -2.985 229 HB3 ASP 34 1HB ASP 34 -14.271 -12.181 -2.720 230 H SER 35 H SER 35 -12.874 -10.578 -4.871 231 HA SER 35 HA SER 35 -11.454 -8.830 -3.019 232 HB2 SER 35 2HB SER 35 -10.467 -11.004 -3.784 233 HB3 SER 35 1HB SER 35 -10.416 -10.363 -5.420 234 HG SER 35 HG SER 35 -9.032 -8.698 -4.620 235 H LYS 36 H LYS 36 -13.443 -7.587 -4.584 236 HA LYS 36 HA LYS 36 -12.459 -6.556 -7.011 237 HB2 LYS 36 2HB LYS 36 -14.341 -4.864 -6.753 238 HB3 LYS 36 1HB LYS 36 -14.793 -6.556 -6.803 239 HG2 LYS 36 2HG LYS 36 -16.142 -5.628 -5.147 240 HG3 LYS 36 1HG LYS 36 -14.864 -6.441 -4.252 241 HD2 LYS 36 2HD LYS 36 -13.744 -4.357 -3.850 242 HD3 LYS 36 1HD LYS 36 -14.864 -3.499 -4.906 243 HE2 LYS 36 2HE LYS 36 -15.722 -4.958 -2.413 244 HE3 LYS 36 1HE LYS 36 -15.283 -3.251 -2.431 245 HZ1 LYS 36 3HZ LYS 36 -17.446 -4.459 -4.070 246 HZ2 LYS 36 1HZ LYS 36 -17.067 -2.810 -3.958 247 HZ3 LYS 36 2HZ LYS 36 -17.691 -3.632 -2.612 248 H ASN 37 H ASN 37 -12.182 -5.427 -3.733 249 HA ASN 37 HA ASN 37 -10.053 -3.656 -4.512 250 HB2 ASN 37 2HB ASN 37 -12.158 -2.279 -4.751 251 HB3 ASN 37 1HB ASN 37 -12.438 -2.515 -3.031 252 HD21 ASN 37 1HD2 ASN 37 -11.344 -1.302 -1.588 253 HD22 ASN 37 2HD2 ASN 37 -10.238 -0.047 -2.027 254 H GLN 38 H GLN 38 -8.944 -5.298 -3.259 255 HA GLN 38 HA GLN 38 -9.807 -5.478 -0.441 256 HB2 GLN 38 2HB GLN 38 -10.316 -7.495 -1.735 257 HB3 GLN 38 1HB GLN 38 -8.630 -7.634 -2.202 258 HG2 GLN 38 2HG GLN 38 -9.258 -9.194 -0.419 259 HG3 GLN 38 1HG GLN 38 -7.983 -8.079 0.072 260 HE21 GLN 38 1HE2 GLN 38 -8.414 -8.301 2.247 261 HE22 GLN 38 2HE2 GLN 38 -9.821 -7.622 2.992 262 H CYS 39 H CYS 39 -8.299 -5.637 1.163 263 HA CYS 39 HA CYS 39 -5.618 -4.715 0.546 264 HB2 CYS 39 2HB CYS 39 -7.018 -5.088 3.189 265 HB3 CYS 39 1HB CYS 39 -5.446 -4.346 2.960 266 HG CYS 39 HG CYS 39 -7.147 -2.278 3.496 267 H VAL 40 H VAL 40 -4.467 -6.514 -0.136 268 HA VAL 40 HA VAL 40 -4.468 -8.874 1.581 269 HB VAL 40 HB VAL 40 -4.380 -8.883 -0.984 270 HG11 VAL 40 1HG1 VAL 40 -2.612 -7.252 -1.291 271 HG12 VAL 40 2HG1 VAL 40 -2.153 -8.803 -1.991 272 HG13 VAL 40 3HG1 VAL 40 -1.476 -8.299 -0.443 273 HG21 VAL 40 3HG2 VAL 40 -2.959 -10.899 -1.023 274 HG22 VAL 40 1HG2 VAL 40 -4.095 -10.894 0.327 275 HG23 VAL 40 2HG2 VAL 40 -2.396 -10.507 0.601 276 H THR 41 H THR 41 -2.325 -9.679 2.433 277 HA THR 41 HA THR 41 -0.986 -7.384 3.598 278 HB THR 41 HB THR 41 0.160 -9.151 5.016 279 HG1 THR 41 HG1 THR 41 -0.175 -10.998 3.797 280 HG21 THR 41 3HG2 THR 41 -2.853 -8.958 5.082 281 HG22 THR 41 1HG2 THR 41 -1.721 -7.816 5.809 282 HG23 THR 41 2HG2 THR 41 -1.822 -9.467 6.420 283 H GLY 42 H GLY 42 0.901 -6.659 3.032 284 HA2 GLY 42 2HA GLY 42 3.135 -8.130 2.226 285 HA3 GLY 42 1HA GLY 42 2.300 -7.598 0.770 286 H GLU 43 H GLU 43 3.277 -5.834 -0.035 287 HA GLU 43 HA GLU 43 3.332 -3.508 1.663 288 HB2 GLU 43 2HB GLU 43 5.672 -2.886 0.972 289 HB3 GLU 43 1HB GLU 43 5.544 -4.189 2.140 290 HG2 GLU 43 2HG GLU 43 5.920 -5.820 0.363 291 HG3 GLU 43 1HG GLU 43 6.052 -4.505 -0.809 292 H GLY 44 H GLY 44 2.117 -2.196 0.530 293 HA2 GLY 44 2HA GLY 44 2.169 -2.303 -2.373 294 HA3 GLY 44 1HA GLY 44 1.021 -1.418 -1.380 295 H THR 45 H THR 45 1.222 0.495 -2.446 296 HA THR 45 HA THR 45 3.771 1.901 -2.099 297 HB THR 45 HB THR 45 2.448 2.825 -4.474 298 HG1 THR 45 HG1 THR 45 2.076 0.263 -4.182 299 HG21 THR 45 3HG2 THR 45 4.627 2.341 -5.509 300 HG22 THR 45 1HG2 THR 45 5.105 1.438 -4.070 301 HG23 THR 45 2HG2 THR 45 4.816 3.174 -3.966 302 HA PRO 46 HA PRO 46 1.166 5.079 -0.379 303 HB2 PRO 46 2HB PRO 46 3.152 6.953 -1.553 304 HB3 PRO 46 1HB PRO 46 2.603 6.805 0.120 305 HG2 PRO 46 2HG PRO 46 5.024 5.945 -0.619 306 HG3 PRO 46 1HG PRO 46 4.064 5.069 0.587 307 HD2 PRO 46 2HD PRO 46 4.541 4.420 -2.290 308 HD3 PRO 46 1HD PRO 46 4.409 3.332 -0.893 309 H LYS 47 H LYS 47 -0.528 6.188 -1.182 310 HA LYS 47 HA LYS 47 -0.840 6.039 -4.056 311 HB2 LYS 47 2HB LYS 47 -2.543 5.272 -2.261 312 HB3 LYS 47 1HB LYS 47 -2.949 6.977 -2.118 313 HG2 LYS 47 2HG LYS 47 -3.103 6.714 -4.770 314 HG3 LYS 47 1HG LYS 47 -3.496 5.067 -4.287 315 HD2 LYS 47 2HD LYS 47 -5.586 5.989 -4.258 316 HD3 LYS 47 1HD LYS 47 -5.087 6.309 -2.598 317 HE2 LYS 47 2HE LYS 47 -4.806 8.265 -4.873 318 HE3 LYS 47 1HE LYS 47 -6.147 8.255 -3.731 319 HZ1 LYS 47 3HZ LYS 47 -3.282 8.740 -3.098 320 HZ2 LYS 47 1HZ LYS 47 -4.514 8.619 -1.938 321 HZ3 LYS 47 2HZ LYS 47 -4.534 9.874 -3.070 322 HA PRO 48 HA PRO 48 0.321 10.389 -4.538 323 HB2 PRO 48 2HB PRO 48 -0.934 9.796 -7.174 324 HB3 PRO 48 1HB PRO 48 0.616 10.563 -6.808 325 HG2 PRO 48 2HG PRO 48 0.522 8.051 -7.681 326 HG3 PRO 48 1HG PRO 48 1.682 8.542 -6.432 327 HD2 PRO 48 2HD PRO 48 -0.857 6.998 -6.162 328 HD3 PRO 48 1HD PRO 48 0.671 6.823 -5.276 329 H GLN 49 H GLN 49 -0.860 12.350 -4.844 330 HA GLN 49 HA GLN 49 -3.721 11.929 -4.340 331 HB2 GLN 49 2HB GLN 49 -3.317 13.989 -2.730 332 HB3 GLN 49 1HB GLN 49 -3.083 12.332 -2.202 333 HG2 GLN 49 2HG GLN 49 -0.685 12.540 -2.649 334 HG3 GLN 49 1HG GLN 49 -0.929 14.216 -3.121 335 HE21 GLN 49 1HE2 GLN 49 0.419 14.975 -1.501 336 HE22 GLN 49 2HE2 GLN 49 -0.039 14.966 0.167 337 H SER 50 H SER 50 -1.224 14.251 -5.402 338 HA SER 50 HA SER 50 -3.465 15.912 -6.352 339 HB2 SER 50 2HB SER 50 -0.591 16.711 -5.880 340 HB3 SER 50 1HB SER 50 -1.869 17.784 -6.455 341 HG SER 50 HG SER 50 -1.263 17.022 -3.941 342 H HIS 51 H HIS 51 -0.169 15.979 -7.701 343 HA HIS 51 HA HIS 51 -1.457 15.960 -10.330 344 HB2 HIS 51 2HB HIS 51 1.390 16.630 -9.592 345 HB3 HIS 51 1HB HIS 51 0.641 16.886 -11.163 346 HD1 HIS 51 HD1 HIS 51 1.101 18.471 -7.867 347 HD2 HIS 51 HD2 HIS 51 -1.346 18.963 -11.191 348 HE1 HIS 51 HE1 HIS 51 0.071 20.752 -7.617 349 HE2 HIS 51 HE2 HIS 51 -1.474 20.995 -9.600 Start of MODEL 8 1 H1 VAL 1 1H VAL 1 -5.913 13.464 8.278 2 H2 VAL 1 2H VAL 1 -5.822 15.042 7.673 3 H3 VAL 1 3H VAL 1 -4.498 14.381 8.498 4 HA VAL 1 HA VAL 1 -4.025 14.368 6.184 5 HB VAL 1 HB VAL 1 -3.691 11.968 5.762 6 HG11 VAL 1 1HG1 VAL 1 -2.381 11.443 7.781 7 HG12 VAL 1 2HG1 VAL 1 -3.148 12.800 8.609 8 HG13 VAL 1 3HG1 VAL 1 -2.114 13.087 7.208 9 HG21 VAL 1 3HG2 VAL 1 -4.486 10.296 7.368 10 HG22 VAL 1 1HG2 VAL 1 -5.824 11.117 6.565 11 HG23 VAL 1 2HG2 VAL 1 -5.392 11.548 8.219 12 H VAL 2 H VAL 2 -4.566 13.676 4.028 13 HA VAL 2 HA VAL 2 -7.486 13.465 3.686 14 HB VAL 2 HB VAL 2 -5.519 14.615 1.698 15 HG11 VAL 2 1HG1 VAL 2 -7.553 13.702 0.688 16 HG12 VAL 2 2HG1 VAL 2 -7.516 15.461 0.567 17 HG13 VAL 2 3HG1 VAL 2 -8.539 14.680 1.774 18 HG21 VAL 2 3HG2 VAL 2 -5.629 16.016 3.695 19 HG22 VAL 2 1HG2 VAL 2 -7.387 16.055 3.581 20 HG23 VAL 2 2HG2 VAL 2 -6.405 16.808 2.324 21 H TYR 3 H TYR 3 -7.201 11.124 3.910 22 HA TYR 3 HA TYR 3 -6.095 9.864 1.517 23 HB2 TYR 3 2HB TYR 3 -7.312 8.639 3.996 24 HB3 TYR 3 1HB TYR 3 -6.705 7.721 2.629 25 HD1 TYR 3 HD2 TYR 3 -4.264 9.599 2.171 26 HD2 TYR 3 HD1 TYR 3 -5.829 7.632 5.603 27 HE1 TYR 3 HE2 TYR 3 -2.018 9.581 3.176 28 HE2 TYR 3 HE1 TYR 3 -3.588 7.606 6.615 29 HH TYR 3 HH TYR 3 -1.001 9.459 5.421 30 H THR 4 H THR 4 -7.394 8.431 0.280 31 HA THR 4 HA THR 4 -10.270 8.922 0.370 32 HB THR 4 HB THR 4 -10.111 8.997 -2.220 33 HG1 THR 4 HG1 THR 4 -8.018 10.158 -2.736 34 HG21 THR 4 3HG2 THR 4 -9.172 11.329 -0.549 35 HG22 THR 4 1HG2 THR 4 -10.844 10.898 -0.895 36 HG23 THR 4 2HG2 THR 4 -9.787 11.439 -2.197 37 H ASP 5 H ASP 5 -10.770 7.429 -2.057 38 HA ASP 5 HA ASP 5 -10.318 4.773 -0.946 39 HB2 ASP 5 2HB ASP 5 -11.922 5.674 -3.362 40 HB3 ASP 5 1HB ASP 5 -11.826 4.011 -2.792 41 H CYS 6 H CYS 6 -9.486 3.039 -2.294 42 HA CYS 6 HA CYS 6 -7.003 3.732 -3.415 43 HB2 CYS 6 2HB CYS 6 -8.447 1.118 -3.821 44 HB3 CYS 6 1HB CYS 6 -6.712 1.406 -3.850 45 HG CYS 6 HG CYS 6 -7.012 2.341 -1.013 46 H THR 7 H THR 7 -6.293 3.973 -5.443 47 HA THR 7 HA THR 7 -8.333 4.087 -7.560 48 HB THR 7 HB THR 7 -5.617 5.386 -7.637 49 HG1 THR 7 HG1 THR 7 -6.720 7.278 -6.837 50 HG21 THR 7 3HG2 THR 7 -6.840 5.267 -9.756 51 HG22 THR 7 1HG2 THR 7 -6.725 6.934 -9.191 52 HG23 THR 7 2HG2 THR 7 -8.233 6.042 -9.003 53 H GLU 8 H GLU 8 -5.263 2.706 -6.661 54 HA GLU 8 HA GLU 8 -5.205 1.203 -9.168 55 HB2 GLU 8 2HB GLU 8 -3.242 3.128 -8.229 56 HB3 GLU 8 1HB GLU 8 -2.529 1.540 -8.475 57 HG2 GLU 8 2HG GLU 8 -3.966 3.253 -10.477 58 HG3 GLU 8 1HG GLU 8 -2.281 2.734 -10.495 59 H SER 9 H SER 9 -3.986 -0.749 -9.059 60 HA SER 9 HA SER 9 -4.317 -2.033 -6.472 61 HB2 SER 9 2HB SER 9 -3.544 -3.206 -9.159 62 HB3 SER 9 1HB SER 9 -3.976 -4.119 -7.710 63 HG SER 9 HG SER 9 -5.609 -2.548 -9.388 64 H GLY 10 H GLY 10 -2.675 -2.399 -5.122 65 HA2 GLY 10 2HA GLY 10 -0.322 -2.972 -4.768 66 HA3 GLY 10 1HA GLY 10 0.067 -1.983 -6.171 67 H GLN 11 H GLN 11 -2.252 -0.285 -4.847 68 HA GLN 11 HA GLN 11 -0.468 1.425 -3.302 69 HB2 GLN 11 2HB GLN 11 -2.955 1.766 -4.776 70 HB3 GLN 11 1HB GLN 11 -3.070 2.466 -3.164 71 HG2 GLN 11 2HG GLN 11 -1.964 4.238 -3.861 72 HG3 GLN 11 1HG GLN 11 -0.571 3.226 -4.228 73 HE21 GLN 11 1HE2 GLN 11 -3.366 4.834 -5.502 74 HE22 GLN 11 2HE2 GLN 11 -2.934 4.693 -7.174 75 H ASN 12 H ASN 12 -1.318 2.252 -1.134 76 HA ASN 12 HA ASN 12 -2.992 0.243 0.169 77 HB2 ASN 12 2HB ASN 12 -1.429 0.463 2.200 78 HB3 ASN 12 1HB ASN 12 -1.003 -0.616 0.886 79 HD21 ASN 12 1HD2 ASN 12 1.123 -0.579 1.513 80 HD22 ASN 12 2HD2 ASN 12 2.157 0.768 1.178 81 H LEU 13 H LEU 13 -1.316 3.286 0.886 82 HA LEU 13 HA LEU 13 -2.871 4.074 3.067 83 HB2 LEU 13 2HB LEU 13 -1.327 5.760 1.098 84 HB3 LEU 13 1HB LEU 13 -1.997 6.367 2.600 85 HG LEU 13 HG LEU 13 0.060 4.161 2.448 86 HD11 LEU 13 1HD1 LEU 13 0.940 6.299 1.598 87 HD12 LEU 13 2HD1 LEU 13 1.686 5.822 3.122 88 HD13 LEU 13 3HD1 LEU 13 0.450 7.080 3.100 89 HD21 LEU 13 3HD2 LEU 13 0.299 4.485 4.808 90 HD22 LEU 13 1HD2 LEU 13 -1.412 4.237 4.463 91 HD23 LEU 13 2HD2 LEU 13 -0.806 5.859 4.783 92 H CYS 14 H CYS 14 -4.876 3.307 1.846 93 HA CYS 14 HA CYS 14 -6.502 5.634 1.298 94 HB2 CYS 14 2HB CYS 14 -7.395 4.266 -0.794 95 HB3 CYS 14 1HB CYS 14 -6.042 5.370 -0.947 96 HG CYS 14 HG CYS 14 -4.863 2.441 -0.102 97 H LEU 15 H LEU 15 -8.872 4.937 1.138 98 HA LEU 15 HA LEU 15 -9.387 2.823 3.055 99 HB2 LEU 15 2HB LEU 15 -11.690 3.930 1.593 100 HB3 LEU 15 1HB LEU 15 -11.460 3.699 3.310 101 HG LEU 15 HG LEU 15 -10.243 5.988 1.756 102 HD11 LEU 15 1HD1 LEU 15 -12.681 6.131 1.731 103 HD12 LEU 15 2HD1 LEU 15 -11.981 7.370 2.771 104 HD13 LEU 15 3HD1 LEU 15 -12.718 5.934 3.483 105 HD21 LEU 15 3HD2 LEU 15 -10.569 5.540 4.723 106 HD22 LEU 15 1HD2 LEU 15 -9.852 6.954 3.952 107 HD23 LEU 15 2HD2 LEU 15 -9.060 5.385 3.823 108 H CYS 16 H CYS 16 -9.223 0.825 2.343 109 HA CYS 16 HA CYS 16 -9.701 0.249 -0.457 110 HB2 CYS 16 2HB CYS 16 -7.590 -0.485 0.404 111 HB3 CYS 16 1HB CYS 16 -8.366 -1.297 1.751 112 HG CYS 16 HG CYS 16 -9.776 -2.956 -0.335 113 H GLU 17 H GLU 17 -10.240 -1.594 2.512 114 HA GLU 17 HA GLU 17 -12.450 -2.981 1.234 115 HB2 GLU 17 2HB GLU 17 -10.618 -3.971 2.728 116 HB3 GLU 17 1HB GLU 17 -11.580 -3.348 4.049 117 HG2 GLU 17 2HG GLU 17 -13.433 -4.724 3.438 118 HG3 GLU 17 1HG GLU 17 -12.611 -5.254 1.968 119 H GLY 18 H GLY 18 -13.723 -1.190 1.109 120 HA2 GLY 18 2HA GLY 18 -15.565 0.042 1.699 121 HA3 GLY 18 1HA GLY 18 -15.620 -0.881 3.193 122 H SER 19 H SER 19 -14.609 -0.098 5.028 123 HA SER 19 HA SER 19 -13.712 2.696 4.837 124 HB2 SER 19 2HB SER 19 -14.211 2.651 7.355 125 HB3 SER 19 1HB SER 19 -15.597 2.602 6.264 126 HG SER 19 HG SER 19 -14.584 0.655 7.978 127 H ASN 20 H ASN 20 -12.520 -0.376 5.113 128 HA ASN 20 HA ASN 20 -10.537 -0.088 7.095 129 HB2 ASN 20 2HB ASN 20 -10.785 -1.869 4.695 130 HB3 ASN 20 1HB ASN 20 -9.335 -1.886 5.690 131 HD21 ASN 20 1HD2 ASN 20 -12.794 -2.429 5.681 132 HD22 ASN 20 2HD2 ASN 20 -12.813 -3.434 7.084 133 H VAL 21 H VAL 21 -9.001 1.313 7.146 134 HA VAL 21 HA VAL 21 -7.982 2.529 4.691 135 HB VAL 21 HB VAL 21 -7.057 3.092 7.517 136 HG11 VAL 21 1HG1 VAL 21 -6.451 5.287 6.566 137 HG12 VAL 21 2HG1 VAL 21 -6.949 4.712 4.974 138 HG13 VAL 21 3HG1 VAL 21 -5.594 3.948 5.805 139 HG21 VAL 21 3HG2 VAL 21 -8.655 4.977 7.532 140 HG22 VAL 21 1HG2 VAL 21 -9.445 3.400 7.514 141 HG23 VAL 21 2HG2 VAL 21 -9.357 4.359 6.038 142 H CYS 22 H CYS 22 -6.565 1.220 3.680 143 HA CYS 22 HA CYS 22 -4.810 -0.522 5.126 144 HB2 CYS 22 2HB CYS 22 -5.710 -0.312 2.446 145 HB3 CYS 22 1HB CYS 22 -3.957 -0.165 2.412 146 HG CYS 22 HG CYS 22 -5.790 -2.782 3.596 147 H GLY 23 H GLY 23 -2.526 -0.421 5.153 148 HA2 GLY 23 2HA GLY 23 -1.341 2.187 4.538 149 HA3 GLY 23 1HA GLY 23 -1.203 1.561 6.178 150 H GLN 24 H GLN 24 1.107 1.469 5.992 151 HA GLN 24 HA GLN 24 2.170 -0.224 3.884 152 HB2 GLN 24 2HB GLN 24 3.271 1.920 4.842 153 HB3 GLN 24 1HB GLN 24 3.779 0.882 6.169 154 HG2 GLN 24 2HG GLN 24 4.937 -0.570 4.601 155 HG3 GLN 24 1HG GLN 24 4.407 0.447 3.263 156 HE21 GLN 24 1HE2 GLN 24 7.082 -0.233 4.098 157 HE22 GLN 24 2HE2 GLN 24 7.878 1.272 4.427 158 H GLY 25 H GLY 25 3.355 -2.186 4.325 159 HA2 GLY 25 2HA GLY 25 3.525 -4.218 5.466 160 HA3 GLY 25 1HA GLY 25 2.595 -3.537 6.801 161 H ASN 26 H ASN 26 0.983 -2.556 4.245 162 HA ASN 26 HA ASN 26 -0.472 -5.039 3.684 163 HB2 ASN 26 2HB ASN 26 -1.736 -2.351 4.304 164 HB3 ASN 26 1HB ASN 26 -2.604 -3.780 3.757 165 HD21 ASN 26 1HD2 ASN 26 -0.921 -2.284 6.399 166 HD22 ASN 26 2HD2 ASN 26 -1.464 -3.367 7.629 167 H LYS 27 H LYS 27 -1.566 -4.985 1.626 168 HA LYS 27 HA LYS 27 -0.940 -2.714 -0.097 169 HB2 LYS 27 2HB LYS 27 0.892 -4.289 -0.471 170 HB3 LYS 27 1HB LYS 27 -0.261 -5.576 -0.801 171 HG2 LYS 27 2HG LYS 27 -0.891 -4.660 -2.843 172 HG3 LYS 27 1HG LYS 27 -0.255 -3.067 -2.431 173 HD2 LYS 27 2HD LYS 27 1.195 -4.128 -4.045 174 HD3 LYS 27 1HD LYS 27 2.028 -3.990 -2.495 175 HE2 LYS 27 2HE LYS 27 2.457 -6.160 -3.468 176 HE3 LYS 27 1HE LYS 27 1.465 -6.346 -2.022 177 HZ1 LYS 27 3HZ LYS 27 0.696 -7.740 -3.864 178 HZ2 LYS 27 1HZ LYS 27 0.439 -6.359 -4.815 179 HZ3 LYS 27 2HZ LYS 27 -0.475 -6.611 -3.413 180 H CYS 28 H CYS 28 -2.725 -2.133 -1.148 181 HA CYS 28 HA CYS 28 -5.004 -3.931 -1.140 182 HB2 CYS 28 2HB CYS 28 -5.493 -1.705 -0.429 183 HB3 CYS 28 1HB CYS 28 -4.676 -1.013 -1.821 184 HG CYS 28 HG CYS 28 -7.475 -0.677 -1.986 185 H ILE 29 H ILE 29 -5.933 -4.789 -2.915 186 HA ILE 29 HA ILE 29 -4.906 -4.000 -5.546 187 HB ILE 29 HB ILE 29 -5.233 -6.476 -6.196 188 HG12 ILE 29 2HG1 ILE 29 -4.757 -6.775 -3.228 189 HG13 ILE 29 1HG1 ILE 29 -6.279 -7.124 -4.040 190 HG21 ILE 29 1HG2 ILE 29 -3.083 -5.341 -6.208 191 HG22 ILE 29 2HG2 ILE 29 -2.912 -6.992 -5.610 192 HG23 ILE 29 3HG2 ILE 29 -2.902 -5.638 -4.478 193 HD11 ILE 29 3HD1 ILE 29 -5.198 -8.891 -5.318 194 HD12 ILE 29 1HD1 ILE 29 -5.020 -9.154 -3.584 195 HD13 ILE 29 2HD1 ILE 29 -3.664 -8.532 -4.526 196 H LEU 30 H LEU 30 -6.474 -3.466 -6.874 197 HA LEU 30 HA LEU 30 -9.195 -3.741 -5.997 198 HB2 LEU 30 2HB LEU 30 -7.905 -2.341 -8.329 199 HB3 LEU 30 1HB LEU 30 -9.646 -2.450 -8.162 200 HG LEU 30 HG LEU 30 -9.388 -1.320 -5.912 201 HD11 LEU 30 1HD1 LEU 30 -6.626 -0.757 -6.958 202 HD12 LEU 30 2HD1 LEU 30 -7.032 -1.743 -5.552 203 HD13 LEU 30 3HD1 LEU 30 -7.372 -0.012 -5.542 204 HD21 LEU 30 3HD2 LEU 30 -9.226 0.901 -6.883 205 HD22 LEU 30 1HD2 LEU 30 -10.186 -0.164 -7.909 206 HD23 LEU 30 2HD2 LEU 30 -8.523 0.222 -8.351 207 H GLY 31 H GLY 31 -9.862 -5.803 -6.206 208 HA2 GLY 31 2HA GLY 31 -11.259 -7.153 -7.531 209 HA3 GLY 31 1HA GLY 31 -10.331 -6.669 -8.918 210 H ARG 32 H ARG 32 -10.940 -9.068 -6.791 211 HA ARG 32 HA ARG 32 -9.203 -10.852 -8.098 212 HB2 ARG 32 2HB ARG 32 -7.853 -11.552 -6.125 213 HB3 ARG 32 1HB ARG 32 -7.451 -9.952 -6.712 214 HG2 ARG 32 2HG ARG 32 -7.507 -9.435 -4.525 215 HG3 ARG 32 1HG ARG 32 -9.244 -9.310 -4.804 216 HD2 ARG 32 2HD ARG 32 -8.804 -10.628 -2.814 217 HD3 ARG 32 1HD ARG 32 -9.517 -11.638 -4.071 218 HE ARG 32 HE ARG 32 -6.619 -11.658 -3.958 219 HH11 ARG 32 1HH1 ARG 32 -9.601 -13.182 -2.904 220 HH12 ARG 32 2HH1 ARG 32 -8.835 -14.705 -2.555 221 HH21 ARG 32 1HH2 ARG 32 -5.625 -13.634 -3.478 222 HH22 ARG 32 2HH2 ARG 32 -6.567 -14.949 -2.848 223 H GLY 33 H GLY 33 -10.502 -12.531 -8.300 224 HA2 GLY 33 2HA GLY 33 -12.114 -14.099 -7.853 225 HA3 GLY 33 1HA GLY 33 -11.658 -13.942 -6.163 226 H ASP 34 H ASP 34 -13.200 -13.291 -4.852 227 HA ASP 34 HA ASP 34 -15.555 -11.953 -5.974 228 HB2 ASP 34 2HB ASP 34 -15.155 -13.218 -3.251 229 HB3 ASP 34 1HB ASP 34 -16.670 -12.577 -3.878 230 H SER 35 H SER 35 -13.465 -10.302 -5.922 231 HA SER 35 HA SER 35 -14.217 -8.362 -3.883 232 HB2 SER 35 2HB SER 35 -12.217 -9.753 -3.061 233 HB3 SER 35 1HB SER 35 -11.303 -8.979 -4.368 234 HG SER 35 HG SER 35 -11.852 -8.016 -1.953 235 H LYS 36 H LYS 36 -13.615 -6.228 -4.432 236 HA LYS 36 HA LYS 36 -12.418 -5.874 -7.084 237 HB2 LYS 36 2HB LYS 36 -13.934 -3.846 -7.318 238 HB3 LYS 36 1HB LYS 36 -14.684 -5.423 -7.496 239 HG2 LYS 36 2HG LYS 36 -16.211 -4.263 -6.206 240 HG3 LYS 36 1HG LYS 36 -15.294 -5.163 -4.999 241 HD2 LYS 36 2HD LYS 36 -14.014 -3.219 -4.427 242 HD3 LYS 36 1HD LYS 36 -14.705 -2.309 -5.773 243 HE2 LYS 36 2HE LYS 36 -16.938 -2.548 -4.713 244 HE3 LYS 36 1HE LYS 36 -16.160 -3.319 -3.332 245 HZ1 LYS 36 3HZ LYS 36 -15.005 -1.331 -2.820 246 HZ2 LYS 36 1HZ LYS 36 -16.622 -0.892 -3.081 247 HZ3 LYS 36 2HZ LYS 36 -15.455 -0.597 -4.281 248 H ASN 37 H ASN 37 -12.223 -5.267 -3.835 249 HA ASN 37 HA ASN 37 -10.106 -3.315 -4.171 250 HB2 ASN 37 2HB ASN 37 -12.562 -2.235 -3.859 251 HB3 ASN 37 1HB ASN 37 -12.171 -2.520 -2.169 252 HD21 ASN 37 1HD2 ASN 37 -9.296 -2.073 -2.610 253 HD22 ASN 37 2HD2 ASN 37 -9.125 -0.369 -2.796 254 H GLN 38 H GLN 38 -8.829 -5.094 -3.279 255 HA GLN 38 HA GLN 38 -9.740 -6.019 -0.625 256 HB2 GLN 38 2HB GLN 38 -9.787 -7.644 -2.580 257 HB3 GLN 38 1HB GLN 38 -8.034 -7.597 -2.539 258 HG2 GLN 38 2HG GLN 38 -8.932 -9.542 -1.371 259 HG3 GLN 38 1HG GLN 38 -8.033 -8.485 -0.287 260 HE21 GLN 38 1HE2 GLN 38 -9.038 -7.640 1.442 261 HE22 GLN 38 2HE2 GLN 38 -10.712 -7.859 1.829 262 H CYS 39 H CYS 39 -8.342 -6.185 1.031 263 HA CYS 39 HA CYS 39 -5.716 -4.976 0.722 264 HB2 CYS 39 2HB CYS 39 -7.391 -5.609 3.139 265 HB3 CYS 39 1HB CYS 39 -5.738 -5.035 3.247 266 HG CYS 39 HG CYS 39 -7.306 -2.975 1.296 267 H VAL 40 H VAL 40 -4.207 -6.448 0.132 268 HA VAL 40 HA VAL 40 -4.096 -8.981 1.609 269 HB VAL 40 HB VAL 40 -3.967 -8.771 -0.972 270 HG11 VAL 40 1HG1 VAL 40 -2.297 -7.044 -1.125 271 HG12 VAL 40 2HG1 VAL 40 -1.685 -8.527 -1.861 272 HG13 VAL 40 3HG1 VAL 40 -1.135 -8.045 -0.256 273 HG21 VAL 40 3HG2 VAL 40 -1.931 -10.410 0.536 274 HG22 VAL 40 1HG2 VAL 40 -2.488 -10.721 -1.109 275 HG23 VAL 40 2HG2 VAL 40 -3.613 -10.854 0.243 276 H THR 41 H THR 41 -1.869 -9.650 2.339 277 HA THR 41 HA THR 41 -0.624 -7.366 3.627 278 HB THR 41 HB THR 41 0.739 -9.236 4.778 279 HG1 THR 41 HG1 THR 41 -1.437 -10.913 4.202 280 HG21 THR 41 3HG2 THR 41 -1.022 -7.947 5.890 281 HG22 THR 41 1HG2 THR 41 -1.062 -9.636 6.393 282 HG23 THR 41 2HG2 THR 41 -2.242 -9.034 5.231 283 H GLY 42 H GLY 42 1.210 -6.523 3.119 284 HA2 GLY 42 2HA GLY 42 3.501 -7.661 2.135 285 HA3 GLY 42 1HA GLY 42 2.545 -7.266 0.710 286 H GLU 43 H GLU 43 3.835 -5.621 -0.047 287 HA GLU 43 HA GLU 43 3.854 -3.209 1.631 288 HB2 GLU 43 2HB GLU 43 6.088 -4.395 0.017 289 HB3 GLU 43 1HB GLU 43 6.041 -2.671 0.363 290 HG2 GLU 43 2HG GLU 43 5.901 -4.773 2.499 291 HG3 GLU 43 1HG GLU 43 7.411 -4.082 1.921 292 H GLY 44 H GLY 44 2.368 -1.967 0.703 293 HA2 GLY 44 2HA GLY 44 2.042 -1.976 -2.173 294 HA3 GLY 44 1HA GLY 44 1.040 -1.127 -1.009 295 H THR 45 H THR 45 1.105 0.736 -2.213 296 HA THR 45 HA THR 45 3.557 2.304 -1.907 297 HB THR 45 HB THR 45 2.245 3.096 -4.334 298 HG1 THR 45 HG1 THR 45 2.057 0.494 -3.980 299 HG21 THR 45 3HG2 THR 45 4.949 1.858 -3.818 300 HG22 THR 45 1HG2 THR 45 4.569 3.581 -3.781 301 HG23 THR 45 2HG2 THR 45 4.469 2.687 -5.299 302 HA PRO 46 HA PRO 46 0.768 5.333 -0.244 303 HB2 PRO 46 2HB PRO 46 2.562 7.274 -1.618 304 HB3 PRO 46 1HB PRO 46 2.052 7.226 0.073 305 HG2 PRO 46 2HG PRO 46 4.509 6.488 -0.624 306 HG3 PRO 46 1HG PRO 46 3.619 5.608 0.632 307 HD2 PRO 46 2HD PRO 46 4.134 4.851 -2.214 308 HD3 PRO 46 1HD PRO 46 4.088 3.827 -0.764 309 H LYS 47 H LYS 47 -0.992 6.496 -0.986 310 HA LYS 47 HA LYS 47 -1.499 6.204 -3.821 311 HB2 LYS 47 2HB LYS 47 -3.124 5.658 -1.857 312 HB3 LYS 47 1HB LYS 47 -3.433 7.389 -1.849 313 HG2 LYS 47 2HG LYS 47 -3.804 7.020 -4.408 314 HG3 LYS 47 1HG LYS 47 -4.085 5.354 -3.908 315 HD2 LYS 47 2HD LYS 47 -6.183 5.963 -3.470 316 HD3 LYS 47 1HD LYS 47 -5.535 6.854 -2.091 317 HE2 LYS 47 2HE LYS 47 -5.802 7.985 -4.864 318 HE3 LYS 47 1HE LYS 47 -7.002 8.204 -3.593 319 HZ1 LYS 47 3HZ LYS 47 -4.196 9.189 -3.597 320 HZ2 LYS 47 1HZ LYS 47 -5.225 9.266 -2.254 321 HZ3 LYS 47 2HZ LYS 47 -5.611 10.115 -3.661 322 HA PRO 48 HA PRO 48 0.198 10.136 -4.831 323 HB2 PRO 48 2HB PRO 48 -1.641 10.465 -6.978 324 HB3 PRO 48 1HB PRO 48 0.031 9.912 -7.055 325 HG2 PRO 48 2HG PRO 48 -2.481 8.349 -7.039 326 HG3 PRO 48 1HG PRO 48 -0.903 7.938 -7.732 327 HD2 PRO 48 2HD PRO 48 -1.818 6.759 -5.498 328 HD3 PRO 48 1HD PRO 48 -0.092 7.126 -5.716 329 H GLN 49 H GLN 49 -0.204 12.216 -4.756 330 HA GLN 49 HA GLN 49 -2.841 13.062 -3.769 331 HB2 GLN 49 2HB GLN 49 -1.413 14.636 -2.282 332 HB3 GLN 49 1HB GLN 49 -1.617 12.956 -1.811 333 HG2 GLN 49 2HG GLN 49 0.546 12.415 -2.793 334 HG3 GLN 49 1HG GLN 49 0.771 14.103 -3.230 335 HE21 GLN 49 1HE2 GLN 49 0.770 11.773 -0.680 336 HE22 GLN 49 2HE2 GLN 49 1.444 12.792 0.540 337 H SER 50 H SER 50 0.008 13.711 -5.588 338 HA SER 50 HA SER 50 -0.829 16.407 -6.313 339 HB2 SER 50 2HB SER 50 1.202 16.435 -7.694 340 HB3 SER 50 1HB SER 50 1.589 15.878 -6.067 341 HG SER 50 HG SER 50 1.579 13.741 -6.850 342 H HIS 51 H HIS 51 -0.753 13.154 -7.594 343 HA HIS 51 HA HIS 51 -1.766 13.973 -10.180 344 HB2 HIS 51 2HB HIS 51 -1.509 11.198 -9.059 345 HB3 HIS 51 1HB HIS 51 -1.722 11.623 -10.754 346 HD1 HIS 51 HD1 HIS 51 0.406 13.394 -11.554 347 HD2 HIS 51 HD2 HIS 51 1.048 10.567 -8.572 348 HE1 HIS 51 HE1 HIS 51 2.896 13.072 -11.448 349 HE2 HIS 51 HE2 HIS 51 3.221 11.168 -9.825 Start of MODEL 9 1 H1 VAL 1 1H VAL 1 -6.410 16.943 6.951 2 H2 VAL 1 2H VAL 1 -7.616 15.795 6.650 3 H3 VAL 1 3H VAL 1 -7.182 16.896 5.438 4 HA VAL 1 HA VAL 1 -5.019 15.911 5.252 5 HB VAL 1 HB VAL 1 -5.955 13.904 7.277 6 HG11 VAL 1 1HG1 VAL 1 -4.454 12.969 5.619 7 HG12 VAL 1 2HG1 VAL 1 -3.637 13.091 7.177 8 HG13 VAL 1 3HG1 VAL 1 -3.298 14.269 5.909 9 HG21 VAL 1 3HG2 VAL 1 -4.283 14.842 8.786 10 HG22 VAL 1 1HG2 VAL 1 -5.506 16.040 8.360 11 HG23 VAL 1 2HG2 VAL 1 -3.915 16.094 7.599 12 H VAL 2 H VAL 2 -5.010 14.788 3.380 13 HA VAL 2 HA VAL 2 -7.661 13.924 2.561 14 HB VAL 2 HB VAL 2 -5.224 14.205 0.804 15 HG11 VAL 2 1HG1 VAL 2 -7.064 12.942 -0.172 16 HG12 VAL 2 2HG1 VAL 2 -6.880 14.499 -0.981 17 HG13 VAL 2 3HG1 VAL 2 -8.180 14.259 0.188 18 HG21 VAL 2 3HG2 VAL 2 -5.989 16.455 0.274 19 HG22 VAL 2 1HG2 VAL 2 -5.630 16.309 1.993 20 HG23 VAL 2 2HG2 VAL 2 -7.305 16.300 1.438 21 H TYR 3 H TYR 3 -7.564 11.862 3.774 22 HA TYR 3 HA TYR 3 -6.185 9.780 2.266 23 HB2 TYR 3 2HB TYR 3 -8.263 9.467 4.440 24 HB3 TYR 3 1HB TYR 3 -7.371 8.171 3.680 25 HD1 TYR 3 HD2 TYR 3 -6.953 11.167 5.852 26 HD2 TYR 3 HD1 TYR 3 -5.316 7.469 4.521 27 HE1 TYR 3 HE2 TYR 3 -5.218 11.314 7.587 28 HE2 TYR 3 HE1 TYR 3 -3.581 7.607 6.258 29 HH TYR 3 HH TYR 3 -2.460 9.348 7.609 30 H THR 4 H THR 4 -7.342 8.250 1.058 31 HA THR 4 HA THR 4 -10.099 8.806 0.369 32 HB THR 4 HB THR 4 -9.195 8.677 -2.158 33 HG1 THR 4 HG1 THR 4 -7.310 10.499 -1.340 34 HG21 THR 4 3HG2 THR 4 -9.484 11.091 -2.308 35 HG22 THR 4 1HG2 THR 4 -9.316 11.237 -0.557 36 HG23 THR 4 2HG2 THR 4 -10.705 10.395 -1.243 37 H ASP 5 H ASP 5 -10.436 7.268 -1.787 38 HA ASP 5 HA ASP 5 -9.866 4.619 -0.744 39 HB2 ASP 5 2HB ASP 5 -11.450 5.524 -3.180 40 HB3 ASP 5 1HB ASP 5 -11.332 3.862 -2.614 41 H CYS 6 H CYS 6 -8.779 3.009 -2.008 42 HA CYS 6 HA CYS 6 -6.440 3.970 -3.237 43 HB2 CYS 6 2HB CYS 6 -7.555 1.208 -3.633 44 HB3 CYS 6 1HB CYS 6 -5.871 1.718 -3.667 45 HG CYS 6 HG CYS 6 -6.345 2.567 -0.795 46 H THR 7 H THR 7 -5.988 4.498 -5.238 47 HA THR 7 HA THR 7 -8.133 4.393 -7.216 48 HB THR 7 HB THR 7 -5.489 5.826 -7.473 49 HG1 THR 7 HG1 THR 7 -7.444 7.513 -6.780 50 HG21 THR 7 3HG2 THR 7 -6.738 7.299 -8.980 51 HG22 THR 7 1HG2 THR 7 -8.206 6.362 -8.697 52 HG23 THR 7 2HG2 THR 7 -6.833 5.624 -9.524 53 H GLU 8 H GLU 8 -5.309 2.789 -6.347 54 HA GLU 8 HA GLU 8 -4.938 1.640 -9.010 55 HB2 GLU 8 2HB GLU 8 -2.872 3.020 -7.314 56 HB3 GLU 8 1HB GLU 8 -2.421 1.891 -8.571 57 HG2 GLU 8 2HG GLU 8 -3.347 3.286 -10.262 58 HG3 GLU 8 1HG GLU 8 -4.119 4.320 -9.060 59 H SER 9 H SER 9 -3.929 -0.395 -9.010 60 HA SER 9 HA SER 9 -4.297 -1.872 -6.536 61 HB2 SER 9 2HB SER 9 -3.495 -2.862 -9.295 62 HB3 SER 9 1HB SER 9 -3.966 -3.865 -7.919 63 HG SER 9 HG SER 9 -5.529 -2.693 -9.740 64 H GLY 10 H GLY 10 -2.660 -2.403 -5.232 65 HA2 GLY 10 2HA GLY 10 -0.330 -3.077 -4.956 66 HA3 GLY 10 1HA GLY 10 0.090 -1.945 -6.234 67 H GLN 11 H GLN 11 -2.188 -0.373 -4.661 68 HA GLN 11 HA GLN 11 -0.286 1.194 -3.104 69 HB2 GLN 11 2HB GLN 11 -2.777 1.690 -4.491 70 HB3 GLN 11 1HB GLN 11 -2.856 2.294 -2.836 71 HG2 GLN 11 2HG GLN 11 -1.779 4.075 -3.524 72 HG3 GLN 11 1HG GLN 11 -0.360 3.071 -3.755 73 HE21 GLN 11 1HE2 GLN 11 -2.935 4.788 -5.232 74 HE22 GLN 11 2HE2 GLN 11 -2.365 4.664 -6.866 75 H ASN 12 H ASN 12 -0.927 1.915 -0.863 76 HA ASN 12 HA ASN 12 -2.679 -0.038 0.438 77 HB2 ASN 12 2HB ASN 12 -1.061 0.069 2.436 78 HB3 ASN 12 1HB ASN 12 -0.707 -0.990 1.086 79 HD21 ASN 12 1HD2 ASN 12 1.445 -1.039 1.692 80 HD22 ASN 12 2HD2 ASN 12 2.519 0.277 1.367 81 H LEU 13 H LEU 13 -0.860 2.909 1.208 82 HA LEU 13 HA LEU 13 -2.333 3.667 3.451 83 HB2 LEU 13 2HB LEU 13 -0.612 5.232 1.557 84 HB3 LEU 13 1HB LEU 13 -1.350 5.974 2.962 85 HG LEU 13 HG LEU 13 0.493 3.592 3.116 86 HD11 LEU 13 1HD1 LEU 13 1.114 6.517 3.510 87 HD12 LEU 13 2HD1 LEU 13 1.694 5.500 2.191 88 HD13 LEU 13 3HD1 LEU 13 2.209 5.176 3.846 89 HD21 LEU 13 3HD2 LEU 13 0.627 4.195 5.479 90 HD22 LEU 13 1HD2 LEU 13 -1.040 3.867 5.009 91 HD23 LEU 13 2HD2 LEU 13 -0.493 5.530 5.209 92 H CYS 14 H CYS 14 -4.415 3.104 2.216 93 HA CYS 14 HA CYS 14 -5.878 5.591 1.941 94 HB2 CYS 14 2HB CYS 14 -6.906 4.272 -0.233 95 HB3 CYS 14 1HB CYS 14 -5.735 5.583 -0.322 96 HG CYS 14 HG CYS 14 -4.267 2.638 0.117 97 H LEU 15 H LEU 15 -8.317 5.016 1.600 98 HA LEU 15 HA LEU 15 -8.937 2.846 3.435 99 HB2 LEU 15 2HB LEU 15 -11.337 3.889 2.382 100 HB3 LEU 15 1HB LEU 15 -10.671 4.122 3.981 101 HG LEU 15 HG LEU 15 -9.904 5.907 1.683 102 HD11 LEU 15 1HD1 LEU 15 -11.623 7.465 2.451 103 HD12 LEU 15 2HD1 LEU 15 -12.207 6.263 3.603 104 HD13 LEU 15 3HD1 LEU 15 -12.336 5.960 1.869 105 HD21 LEU 15 3HD2 LEU 15 -9.930 6.324 4.670 106 HD22 LEU 15 1HD2 LEU 15 -9.365 7.473 3.458 107 HD23 LEU 15 2HD2 LEU 15 -8.502 5.954 3.702 108 H CYS 16 H CYS 16 -8.216 1.173 2.078 109 HA CYS 16 HA CYS 16 -9.160 0.597 -0.487 110 HB2 CYS 16 2HB CYS 16 -7.222 -0.523 0.352 111 HB3 CYS 16 1HB CYS 16 -8.109 -1.161 1.724 112 HG CYS 16 HG CYS 16 -8.322 -3.431 0.586 113 H GLU 17 H GLU 17 -10.017 -1.206 2.428 114 HA GLU 17 HA GLU 17 -12.610 -1.888 1.241 115 HB2 GLU 17 2HB GLU 17 -10.834 -3.419 2.570 116 HB3 GLU 17 1HB GLU 17 -11.815 -2.857 3.914 117 HG2 GLU 17 2HG GLU 17 -13.063 -4.117 1.501 118 HG3 GLU 17 1HG GLU 17 -12.420 -5.088 2.823 119 H GLY 18 H GLY 18 -14.476 -1.171 2.081 120 HA2 GLY 18 2HA GLY 18 -15.816 0.468 3.081 121 HA3 GLY 18 1HA GLY 18 -15.418 -0.543 4.455 122 H SER 19 H SER 19 -14.139 0.234 6.046 123 HA SER 19 HA SER 19 -13.174 3.000 5.769 124 HB2 SER 19 2HB SER 19 -13.458 2.862 8.377 125 HB3 SER 19 1HB SER 19 -14.861 3.185 7.352 126 HG SER 19 HG SER 19 -15.052 1.470 9.023 127 H ASN 20 H ASN 20 -11.893 0.242 5.431 128 HA ASN 20 HA ASN 20 -9.936 0.141 7.578 129 HB2 ASN 20 2HB ASN 20 -10.232 -1.513 5.057 130 HB3 ASN 20 1HB ASN 20 -9.024 -1.798 6.298 131 HD21 ASN 20 1HD2 ASN 20 -12.269 -0.827 7.112 132 HD22 ASN 20 2HD2 ASN 20 -12.780 -2.356 7.744 133 H VAL 21 H VAL 21 -8.486 1.768 7.452 134 HA VAL 21 HA VAL 21 -7.436 2.569 4.861 135 HB VAL 21 HB VAL 21 -6.618 3.597 7.591 136 HG11 VAL 21 1HG1 VAL 21 -5.785 5.528 6.357 137 HG12 VAL 21 2HG1 VAL 21 -6.266 4.772 4.839 138 HG13 VAL 21 3HG1 VAL 21 -4.999 4.043 5.825 139 HG21 VAL 21 3HG2 VAL 21 -8.990 3.970 7.275 140 HG22 VAL 21 1HG2 VAL 21 -8.691 4.668 5.684 141 HG23 VAL 21 2HG2 VAL 21 -8.113 5.494 7.131 142 H CYS 22 H CYS 22 -6.052 1.169 4.049 143 HA CYS 22 HA CYS 22 -4.444 -0.539 5.674 144 HB2 CYS 22 2HB CYS 22 -5.271 -0.419 2.923 145 HB3 CYS 22 1HB CYS 22 -3.524 -0.618 3.001 146 HG CYS 22 HG CYS 22 -4.894 -3.101 2.708 147 H GLY 23 H GLY 23 -2.147 -0.660 5.663 148 HA2 GLY 23 2HA GLY 23 -0.757 1.802 4.867 149 HA3 GLY 23 1HA GLY 23 -0.631 1.235 6.525 150 H GLN 24 H GLN 24 1.376 0.459 6.763 151 HA GLN 24 HA GLN 24 2.732 -0.646 4.451 152 HB2 GLN 24 2HB GLN 24 3.822 -0.136 7.232 153 HB3 GLN 24 1HB GLN 24 4.766 -0.518 5.802 154 HG2 GLN 24 2HG GLN 24 5.061 1.752 5.957 155 HG3 GLN 24 1HG GLN 24 3.699 1.654 4.844 156 HE21 GLN 24 1HE2 GLN 24 4.722 2.478 8.061 157 HE22 GLN 24 2HE2 GLN 24 3.279 3.320 8.517 158 H GLY 25 H GLY 25 3.080 -2.716 4.109 159 HA2 GLY 25 2HA GLY 25 3.605 -4.943 4.923 160 HA3 GLY 25 1HA GLY 25 2.591 -4.611 6.324 161 H ASN 26 H ASN 26 0.809 -3.204 4.234 162 HA ASN 26 HA ASN 26 -0.436 -5.647 3.168 163 HB2 ASN 26 2HB ASN 26 -1.750 -3.121 4.173 164 HB3 ASN 26 1HB ASN 26 -2.595 -4.368 3.260 165 HD21 ASN 26 1HD2 ASN 26 -1.240 -3.482 6.317 166 HD22 ASN 26 2HD2 ASN 26 -1.826 -4.852 7.201 167 H LYS 27 H LYS 27 -1.659 -5.323 1.189 168 HA LYS 27 HA LYS 27 -0.987 -2.951 -0.348 169 HB2 LYS 27 2HB LYS 27 0.853 -4.457 -0.858 170 HB3 LYS 27 1HB LYS 27 -0.272 -5.753 -1.235 171 HG2 LYS 27 2HG LYS 27 -0.921 -4.786 -3.237 172 HG3 LYS 27 1HG LYS 27 -0.369 -3.181 -2.755 173 HD2 LYS 27 2HD LYS 27 1.134 -4.103 -4.416 174 HD3 LYS 27 1HD LYS 27 1.960 -3.971 -2.860 175 HE2 LYS 27 2HE LYS 27 2.509 -6.080 -3.911 176 HE3 LYS 27 1HE LYS 27 1.541 -6.368 -2.467 177 HZ1 LYS 27 3HZ LYS 27 -0.395 -6.681 -3.863 178 HZ2 LYS 27 1HZ LYS 27 0.836 -7.747 -4.327 179 HZ3 LYS 27 2HZ LYS 27 0.511 -6.364 -5.257 180 H CYS 28 H CYS 28 -2.752 -2.289 -1.371 181 HA CYS 28 HA CYS 28 -5.064 -4.042 -1.435 182 HB2 CYS 28 2HB CYS 28 -5.474 -1.844 -0.584 183 HB3 CYS 28 1HB CYS 28 -4.690 -1.096 -1.973 184 HG CYS 28 HG CYS 28 -7.710 -2.676 -1.899 185 H ILE 29 H ILE 29 -6.103 -4.707 -3.267 186 HA ILE 29 HA ILE 29 -5.018 -3.851 -5.849 187 HB ILE 29 HB ILE 29 -5.458 -6.266 -6.629 188 HG12 ILE 29 2HG1 ILE 29 -5.053 -6.749 -3.672 189 HG13 ILE 29 1HG1 ILE 29 -6.573 -6.981 -4.533 190 HG21 ILE 29 1HG2 ILE 29 -3.107 -5.606 -4.863 191 HG22 ILE 29 2HG2 ILE 29 -3.252 -5.290 -6.591 192 HG23 ILE 29 3HG2 ILE 29 -3.171 -6.950 -6.002 193 HD11 ILE 29 3HD1 ILE 29 -4.013 -8.501 -5.005 194 HD12 ILE 29 1HD1 ILE 29 -5.522 -8.726 -5.892 195 HD13 ILE 29 2HD1 ILE 29 -5.449 -9.095 -4.170 196 H LEU 30 H LEU 30 -6.517 -3.292 -7.241 197 HA LEU 30 HA LEU 30 -9.306 -3.684 -6.474 198 HB2 LEU 30 2HB LEU 30 -7.983 -1.704 -8.317 199 HB3 LEU 30 1HB LEU 30 -9.721 -1.865 -8.176 200 HG LEU 30 HG LEU 30 -9.356 -1.399 -5.665 201 HD11 LEU 30 1HD1 LEU 30 -7.411 -0.056 -5.122 202 HD12 LEU 30 2HD1 LEU 30 -6.784 -0.281 -6.754 203 HD13 LEU 30 3HD1 LEU 30 -6.928 -1.662 -5.668 204 HD21 LEU 30 3HD2 LEU 30 -9.436 1.013 -6.066 205 HD22 LEU 30 1HD2 LEU 30 -10.466 0.131 -7.194 206 HD23 LEU 30 2HD2 LEU 30 -8.903 0.752 -7.726 207 H GLY 31 H GLY 31 -10.408 -5.188 -7.446 208 HA2 GLY 31 2HA GLY 31 -11.515 -6.231 -9.144 209 HA3 GLY 31 1HA GLY 31 -10.628 -5.228 -10.256 210 H ARG 32 H ARG 32 -10.787 -8.256 -8.645 211 HA ARG 32 HA ARG 32 -9.261 -9.439 -10.765 212 HB2 ARG 32 2HB ARG 32 -7.642 -8.646 -8.806 213 HB3 ARG 32 1HB ARG 32 -8.190 -10.149 -8.071 214 HG2 ARG 32 2HG ARG 32 -6.128 -10.503 -9.294 215 HG3 ARG 32 1HG ARG 32 -7.457 -11.382 -10.059 216 HD2 ARG 32 2HD ARG 32 -7.712 -9.479 -11.645 217 HD3 ARG 32 1HD ARG 32 -6.274 -8.751 -10.939 218 HE ARG 32 HE ARG 32 -6.165 -11.419 -12.178 219 HH11 ARG 32 1HH1 ARG 32 -5.047 -8.103 -11.957 220 HH12 ARG 32 2HH1 ARG 32 -3.780 -8.325 -13.128 221 HH21 ARG 32 1HH2 ARG 32 -4.556 -11.700 -13.760 222 HH22 ARG 32 2HH2 ARG 32 -3.488 -10.382 -14.150 223 H GLY 33 H GLY 33 -11.040 -10.656 -11.216 224 HA2 GLY 33 2HA GLY 33 -12.360 -12.541 -11.055 225 HA3 GLY 33 1HA GLY 33 -11.558 -12.935 -9.538 226 H ASP 34 H ASP 34 -12.720 -12.738 -7.741 227 HA ASP 34 HA ASP 34 -15.268 -11.311 -7.867 228 HB2 ASP 34 2HB ASP 34 -14.127 -13.141 -5.741 229 HB3 ASP 34 1HB ASP 34 -15.711 -12.378 -5.661 230 H SER 35 H SER 35 -12.212 -10.507 -7.272 231 HA SER 35 HA SER 35 -12.638 -8.894 -4.900 232 HB2 SER 35 2HB SER 35 -10.457 -10.127 -5.389 233 HB3 SER 35 1HB SER 35 -10.192 -8.940 -6.675 234 HG SER 35 HG SER 35 -10.770 -8.087 -4.055 235 H LYS 36 H LYS 36 -12.660 -6.690 -4.895 236 HA LYS 36 HA LYS 36 -12.416 -5.303 -7.461 237 HB2 LYS 36 2HB LYS 36 -14.353 -3.789 -6.622 238 HB3 LYS 36 1HB LYS 36 -14.731 -5.334 -7.365 239 HG2 LYS 36 2HG LYS 36 -16.145 -5.238 -5.529 240 HG3 LYS 36 1HG LYS 36 -14.814 -6.250 -4.975 241 HD2 LYS 36 2HD LYS 36 -15.316 -4.744 -3.216 242 HD3 LYS 36 1HD LYS 36 -13.811 -4.187 -3.948 243 HE2 LYS 36 2HE LYS 36 -15.190 -2.275 -3.545 244 HE3 LYS 36 1HE LYS 36 -15.148 -2.556 -5.285 245 HZ1 LYS 36 3HZ LYS 36 -17.336 -3.520 -3.520 246 HZ2 LYS 36 1HZ LYS 36 -17.318 -3.493 -5.217 247 HZ3 LYS 36 2HZ LYS 36 -17.389 -2.039 -4.344 248 H ASN 37 H ASN 37 -12.193 -5.219 -3.985 249 HA ASN 37 HA ASN 37 -10.176 -3.169 -4.119 250 HB2 ASN 37 2HB ASN 37 -12.707 -2.220 -3.821 251 HB3 ASN 37 1HB ASN 37 -12.290 -2.515 -2.137 252 HD21 ASN 37 1HD2 ASN 37 -9.449 -1.950 -2.570 253 HD22 ASN 37 2HD2 ASN 37 -9.328 -0.242 -2.737 254 H GLN 38 H GLN 38 -8.983 -5.082 -3.336 255 HA GLN 38 HA GLN 38 -9.761 -5.903 -0.606 256 HB2 GLN 38 2HB GLN 38 -9.663 -7.473 -2.822 257 HB3 GLN 38 1HB GLN 38 -8.052 -7.714 -2.180 258 HG2 GLN 38 2HG GLN 38 -10.622 -8.184 -0.685 259 HG3 GLN 38 1HG GLN 38 -9.626 -9.426 -1.437 260 HE21 GLN 38 1HE2 GLN 38 -7.675 -9.979 -0.512 261 HE22 GLN 38 2HE2 GLN 38 -7.268 -9.555 1.115 262 H CYS 39 H CYS 39 -8.209 -6.193 0.932 263 HA CYS 39 HA CYS 39 -5.583 -5.031 0.414 264 HB2 CYS 39 2HB CYS 39 -7.094 -5.599 2.954 265 HB3 CYS 39 1HB CYS 39 -5.415 -5.097 2.938 266 HG CYS 39 HG CYS 39 -6.596 -2.792 3.574 267 H VAL 40 H VAL 40 -4.226 -6.591 -0.326 268 HA VAL 40 HA VAL 40 -4.209 -9.196 0.994 269 HB VAL 40 HB VAL 40 -4.072 -8.765 -1.568 270 HG11 VAL 40 1HG1 VAL 40 -1.179 -8.384 -0.822 271 HG12 VAL 40 2HG1 VAL 40 -2.242 -7.174 -1.541 272 HG13 VAL 40 3HG1 VAL 40 -1.797 -8.615 -2.457 273 HG21 VAL 40 3HG2 VAL 40 -2.222 -10.700 -0.182 274 HG22 VAL 40 1HG2 VAL 40 -2.725 -10.810 -1.870 275 HG23 VAL 40 2HG2 VAL 40 -3.919 -10.966 -0.580 276 H THR 41 H THR 41 -2.097 -10.065 1.734 277 HA THR 41 HA THR 41 -0.690 -7.985 3.194 278 HB THR 41 HB THR 41 0.465 -9.939 4.297 279 HG1 THR 41 HG1 THR 41 -0.006 -11.431 2.525 280 HG21 THR 41 3HG2 THR 41 -1.479 -10.556 5.648 281 HG22 THR 41 1HG2 THR 41 -2.552 -9.891 4.415 282 HG23 THR 41 2HG2 THR 41 -1.467 -8.826 5.308 283 H GLY 42 H GLY 42 1.221 -7.201 2.658 284 HA2 GLY 42 2HA GLY 42 3.396 -8.612 1.661 285 HA3 GLY 42 1HA GLY 42 2.543 -7.972 0.264 286 H GLU 43 H GLU 43 3.371 -6.128 -0.442 287 HA GLU 43 HA GLU 43 3.901 -3.985 1.450 288 HB2 GLU 43 2HB GLU 43 6.073 -3.448 0.339 289 HB3 GLU 43 1HB GLU 43 6.098 -4.954 1.243 290 HG2 GLU 43 2HG GLU 43 5.912 -6.232 -0.791 291 HG3 GLU 43 1HG GLU 43 5.733 -4.754 -1.738 292 H GLY 44 H GLY 44 2.800 -2.302 0.749 293 HA2 GLY 44 2HA GLY 44 2.126 -2.195 -2.110 294 HA3 GLY 44 1HA GLY 44 1.208 -1.442 -0.817 295 H THR 45 H THR 45 1.214 0.559 -1.746 296 HA THR 45 HA THR 45 3.675 2.089 -1.467 297 HB THR 45 HB THR 45 2.481 3.025 -3.857 298 HG1 THR 45 HG1 THR 45 2.214 0.343 -3.606 299 HG21 THR 45 3HG2 THR 45 5.040 1.474 -3.430 300 HG22 THR 45 1HG2 THR 45 4.847 3.219 -3.256 301 HG23 THR 45 2HG2 THR 45 4.658 2.465 -4.839 302 HA PRO 46 HA PRO 46 0.821 5.185 0.106 303 HB2 PRO 46 2HB PRO 46 2.699 7.082 -1.215 304 HB3 PRO 46 1HB PRO 46 2.118 7.059 0.454 305 HG2 PRO 46 2HG PRO 46 4.602 6.290 -0.131 306 HG3 PRO 46 1HG PRO 46 3.650 5.439 1.102 307 HD2 PRO 46 2HD PRO 46 4.276 4.633 -1.708 308 HD3 PRO 46 1HD PRO 46 4.166 3.633 -0.244 309 H LYS 47 H LYS 47 -0.846 6.463 -0.791 310 HA LYS 47 HA LYS 47 -1.284 5.824 -3.582 311 HB2 LYS 47 2HB LYS 47 -2.978 5.489 -1.692 312 HB3 LYS 47 1HB LYS 47 -3.207 7.234 -1.750 313 HG2 LYS 47 2HG LYS 47 -3.573 6.791 -4.299 314 HG3 LYS 47 1HG LYS 47 -3.931 5.159 -3.743 315 HD2 LYS 47 2HD LYS 47 -6.022 6.109 -3.685 316 HD3 LYS 47 1HD LYS 47 -5.472 6.407 -2.037 317 HE2 LYS 47 2HE LYS 47 -5.234 8.386 -4.297 318 HE3 LYS 47 1HE LYS 47 -6.545 8.376 -3.124 319 HZ1 LYS 47 3HZ LYS 47 -3.662 8.807 -2.528 320 HZ2 LYS 47 1HZ LYS 47 -4.888 8.716 -1.359 321 HZ3 LYS 47 2HZ LYS 47 -4.886 9.976 -2.485 322 HA PRO 48 HA PRO 48 -0.132 10.060 -4.610 323 HB2 PRO 48 2HB PRO 48 -0.167 9.085 -7.357 324 HB3 PRO 48 1HB PRO 48 1.191 9.708 -6.416 325 HG2 PRO 48 2HG PRO 48 0.981 7.101 -7.133 326 HG3 PRO 48 1HG PRO 48 1.770 7.624 -5.633 327 HD2 PRO 48 2HD PRO 48 -0.996 6.536 -6.037 328 HD3 PRO 48 1HD PRO 48 0.187 6.164 -4.763 329 H GLN 49 H GLN 49 -1.215 11.704 -5.608 330 HA GLN 49 HA GLN 49 -3.625 11.211 -7.135 331 HB2 GLN 49 2HB GLN 49 -4.630 13.077 -5.420 332 HB3 GLN 49 1HB GLN 49 -4.935 11.351 -5.287 333 HG2 GLN 49 2HG GLN 49 -3.152 11.124 -3.668 334 HG3 GLN 49 1HG GLN 49 -2.736 12.828 -3.853 335 HE21 GLN 49 1HE2 GLN 49 -3.855 14.336 -2.767 336 HE22 GLN 49 2HE2 GLN 49 -5.146 13.980 -1.663 337 H SER 50 H SER 50 -2.276 13.890 -5.263 338 HA SER 50 HA SER 50 -1.200 15.051 -7.699 339 HB2 SER 50 2HB SER 50 -3.495 16.057 -7.285 340 HB3 SER 50 1HB SER 50 -2.865 16.688 -5.763 341 HG SER 50 HG SER 50 -2.583 17.663 -8.258 342 H HIS 51 H HIS 51 -0.130 17.278 -6.731 343 HA HIS 51 HA HIS 51 0.823 17.367 -4.098 344 HB2 HIS 51 2HB HIS 51 2.623 16.019 -6.056 345 HB3 HIS 51 1HB HIS 51 3.328 17.063 -4.849 346 HD1 HIS 51 HD1 HIS 51 3.607 13.830 -5.129 347 HD2 HIS 51 HD2 HIS 51 1.374 15.969 -2.344 348 HE1 HIS 51 HE1 HIS 51 3.292 12.283 -3.175 349 HE2 HIS 51 HE2 HIS 51 1.693 13.495 -1.657 Start of MODEL 10 1 H1 VAL 1 1H VAL 1 -4.013 16.360 7.404 2 H2 VAL 1 2H VAL 1 -3.457 15.481 8.745 3 H3 VAL 1 3H VAL 1 -5.092 15.409 8.301 4 HA VAL 1 HA VAL 1 -2.875 14.490 6.577 5 HB VAL 1 HB VAL 1 -3.744 12.178 7.141 6 HG11 VAL 1 1HG1 VAL 1 -2.370 11.984 9.148 7 HG12 VAL 1 2HG1 VAL 1 -2.403 13.735 9.352 8 HG13 VAL 1 3HG1 VAL 1 -1.596 13.025 7.953 9 HG21 VAL 1 3HG2 VAL 1 -4.815 11.937 9.363 10 HG22 VAL 1 1HG2 VAL 1 -5.834 12.780 8.197 11 HG23 VAL 1 2HG2 VAL 1 -4.981 13.691 9.443 12 H VAL 2 H VAL 2 -3.483 13.772 4.604 13 HA VAL 2 HA VAL 2 -6.347 14.054 3.943 14 HB VAL 2 HB VAL 2 -3.973 14.484 2.115 15 HG11 VAL 2 1HG1 VAL 2 -6.910 14.980 1.655 16 HG12 VAL 2 2HG1 VAL 2 -5.953 13.684 0.938 17 HG13 VAL 2 3HG1 VAL 2 -5.607 15.365 0.531 18 HG21 VAL 2 3HG2 VAL 2 -5.820 16.505 3.380 19 HG22 VAL 2 1HG2 VAL 2 -4.557 16.857 2.199 20 HG23 VAL 2 2HG2 VAL 2 -4.127 16.242 3.796 21 H TYR 3 H TYR 3 -7.352 12.272 3.262 22 HA TYR 3 HA TYR 3 -5.732 10.116 2.090 23 HB2 TYR 3 2HB TYR 3 -7.947 9.799 4.129 24 HB3 TYR 3 1HB TYR 3 -7.255 8.470 3.214 25 HD1 TYR 3 HD2 TYR 3 -6.685 10.874 5.920 26 HD2 TYR 3 HD1 TYR 3 -5.043 7.619 3.727 27 HE1 TYR 3 HE2 TYR 3 -4.951 10.595 7.636 28 HE2 TYR 3 HE1 TYR 3 -3.298 7.342 5.435 29 HH TYR 3 HH TYR 3 -2.178 8.696 7.165 30 H THR 4 H THR 4 -7.008 8.598 0.806 31 HA THR 4 HA THR 4 -9.618 9.500 -0.089 32 HB THR 4 HB THR 4 -8.422 8.875 -2.508 33 HG1 THR 4 HG1 THR 4 -6.724 10.864 -1.513 34 HG21 THR 4 3HG2 THR 4 -8.726 11.242 -3.044 35 HG22 THR 4 1HG2 THR 4 -8.859 11.625 -1.327 36 HG23 THR 4 2HG2 THR 4 -10.092 10.634 -2.109 37 H ASP 5 H ASP 5 -10.214 7.821 -2.027 38 HA ASP 5 HA ASP 5 -9.985 5.197 -0.782 39 HB2 ASP 5 2HB ASP 5 -11.501 6.118 -3.250 40 HB3 ASP 5 1HB ASP 5 -11.592 4.504 -2.559 41 H CYS 6 H CYS 6 -9.079 3.374 -1.865 42 HA CYS 6 HA CYS 6 -6.734 3.904 -3.313 43 HB2 CYS 6 2HB CYS 6 -8.218 1.283 -3.363 44 HB3 CYS 6 1HB CYS 6 -6.492 1.555 -3.588 45 HG CYS 6 HG CYS 6 -6.649 2.742 -0.780 46 H THR 7 H THR 7 -6.294 4.056 -5.420 47 HA THR 7 HA THR 7 -8.577 3.879 -7.262 48 HB THR 7 HB THR 7 -6.020 5.388 -7.735 49 HG1 THR 7 HG1 THR 7 -7.865 7.129 -7.122 50 HG21 THR 7 3HG2 THR 7 -7.445 6.693 -9.279 51 HG22 THR 7 1HG2 THR 7 -8.800 5.628 -8.900 52 HG23 THR 7 2HG2 THR 7 -7.375 4.988 -9.718 53 H GLU 8 H GLU 8 -5.328 2.801 -6.631 54 HA GLU 8 HA GLU 8 -5.360 1.270 -9.145 55 HB2 GLU 8 2HB GLU 8 -3.524 3.268 -8.346 56 HB3 GLU 8 1HB GLU 8 -2.688 1.732 -8.198 57 HG2 GLU 8 2HG GLU 8 -4.136 2.615 -10.675 58 HG3 GLU 8 1HG GLU 8 -2.413 2.856 -10.394 59 H SER 9 H SER 9 -4.096 -0.688 -9.084 60 HA SER 9 HA SER 9 -4.445 -2.049 -6.544 61 HB2 SER 9 2HB SER 9 -3.554 -3.078 -9.252 62 HB3 SER 9 1HB SER 9 -3.909 -4.084 -7.843 63 HG SER 9 HG SER 9 -5.662 -2.575 -9.465 64 H GLY 10 H GLY 10 -2.861 -2.196 -5.120 65 HA2 GLY 10 2HA GLY 10 -0.499 -2.884 -4.783 66 HA3 GLY 10 1HA GLY 10 -0.089 -1.810 -6.110 67 H GLN 11 H GLN 11 -2.418 -0.172 -4.666 68 HA GLN 11 HA GLN 11 -0.549 1.393 -3.064 69 HB2 GLN 11 2HB GLN 11 -3.144 1.882 -4.360 70 HB3 GLN 11 1HB GLN 11 -2.953 2.669 -2.793 71 HG2 GLN 11 2HG GLN 11 -1.816 4.252 -3.782 72 HG3 GLN 11 1HG GLN 11 -0.554 3.092 -4.168 73 HE21 GLN 11 1HE2 GLN 11 -3.321 4.823 -5.326 74 HE22 GLN 11 2HE2 GLN 11 -3.052 4.529 -7.006 75 H ASN 12 H ASN 12 -1.187 2.133 -0.882 76 HA ASN 12 HA ASN 12 -2.929 0.212 0.477 77 HB2 ASN 12 2HB ASN 12 -1.238 0.304 2.415 78 HB3 ASN 12 1HB ASN 12 -0.924 -0.753 1.052 79 HD21 ASN 12 1HD2 ASN 12 1.243 -0.809 1.557 80 HD22 ASN 12 2HD2 ASN 12 2.305 0.516 1.216 81 H LEU 13 H LEU 13 -1.024 3.130 1.131 82 HA LEU 13 HA LEU 13 -2.483 4.030 3.344 83 HB2 LEU 13 2HB LEU 13 -0.737 5.491 1.377 84 HB3 LEU 13 1HB LEU 13 -1.433 6.272 2.783 85 HG LEU 13 HG LEU 13 0.356 3.851 2.967 86 HD11 LEU 13 1HD1 LEU 13 2.149 5.382 3.573 87 HD12 LEU 13 2HD1 LEU 13 1.094 6.761 3.268 88 HD13 LEU 13 3HD1 LEU 13 1.576 5.709 1.937 89 HD21 LEU 13 3HD2 LEU 13 -0.455 5.905 5.019 90 HD22 LEU 13 1HD2 LEU 13 0.558 4.489 5.291 91 HD23 LEU 13 2HD2 LEU 13 -1.144 4.289 4.877 92 H CYS 14 H CYS 14 -4.548 3.430 2.109 93 HA CYS 14 HA CYS 14 -5.970 5.897 1.615 94 HB2 CYS 14 2HB CYS 14 -6.989 4.591 -0.490 95 HB3 CYS 14 1HB CYS 14 -5.631 5.697 -0.637 96 HG CYS 14 HG CYS 14 -4.630 2.613 0.066 97 H LEU 15 H LEU 15 -8.357 5.486 1.568 98 HA LEU 15 HA LEU 15 -9.010 3.333 3.376 99 HB2 LEU 15 2HB LEU 15 -11.435 4.365 2.514 100 HB3 LEU 15 1HB LEU 15 -10.587 4.766 3.986 101 HG LEU 15 HG LEU 15 -9.991 6.297 1.478 102 HD11 LEU 15 1HD1 LEU 15 -11.748 7.896 2.092 103 HD12 LEU 15 2HD1 LEU 15 -12.303 6.795 3.353 104 HD13 LEU 15 3HD1 LEU 15 -12.417 6.323 1.657 105 HD21 LEU 15 3HD2 LEU 15 -9.972 6.985 4.416 106 HD22 LEU 15 1HD2 LEU 15 -9.532 8.075 3.102 107 HD23 LEU 15 2HD2 LEU 15 -8.561 6.637 3.414 108 H CYS 16 H CYS 16 -8.480 1.557 2.151 109 HA CYS 16 HA CYS 16 -9.558 0.930 -0.373 110 HB2 CYS 16 2HB CYS 16 -7.592 -0.213 0.413 111 HB3 CYS 16 1HB CYS 16 -8.435 -0.782 1.842 112 HG CYS 16 HG CYS 16 -10.267 -2.071 -0.318 113 H GLU 17 H GLU 17 -10.238 -0.738 2.654 114 HA GLU 17 HA GLU 17 -12.869 -1.492 1.672 115 HB2 GLU 17 2HB GLU 17 -10.993 -2.858 3.042 116 HB3 GLU 17 1HB GLU 17 -11.935 -2.233 4.383 117 HG2 GLU 17 2HG GLU 17 -13.039 -3.865 2.104 118 HG3 GLU 17 1HG GLU 17 -12.592 -4.505 3.682 119 H GLY 18 H GLY 18 -14.751 -0.886 2.635 120 HA2 GLY 18 2HA GLY 18 -16.096 0.866 3.488 121 HA3 GLY 18 1HA GLY 18 -15.649 -0.058 4.909 122 H SER 19 H SER 19 -14.173 0.779 6.364 123 HA SER 19 HA SER 19 -13.364 3.574 5.894 124 HB2 SER 19 2HB SER 19 -13.478 3.794 8.404 125 HB3 SER 19 1HB SER 19 -15.036 3.602 7.603 126 HG SER 19 HG SER 19 -15.280 2.023 8.973 127 H ASN 20 H ASN 20 -12.240 0.508 6.125 128 HA ASN 20 HA ASN 20 -9.984 0.840 7.830 129 HB2 ASN 20 2HB ASN 20 -10.745 -1.202 5.764 130 HB3 ASN 20 1HB ASN 20 -9.164 -1.237 6.540 131 HD21 ASN 20 1HD2 ASN 20 -12.614 -1.410 7.082 132 HD22 ASN 20 2HD2 ASN 20 -12.515 -2.190 8.613 133 H VAL 21 H VAL 21 -8.646 2.383 7.402 134 HA VAL 21 HA VAL 21 -7.750 2.927 4.684 135 HB VAL 21 HB VAL 21 -6.767 4.252 7.219 136 HG11 VAL 21 1HG1 VAL 21 -6.166 6.085 5.704 137 HG12 VAL 21 2HG1 VAL 21 -6.706 5.111 4.336 138 HG13 VAL 21 3HG1 VAL 21 -5.330 4.583 5.304 139 HG21 VAL 21 3HG2 VAL 21 -9.198 4.499 7.072 140 HG22 VAL 21 1HG2 VAL 21 -9.029 5.133 5.436 141 HG23 VAL 21 2HG2 VAL 21 -8.373 6.035 6.802 142 H CYS 22 H CYS 22 -6.402 1.412 3.978 143 HA CYS 22 HA CYS 22 -4.750 -0.146 5.653 144 HB2 CYS 22 2HB CYS 22 -5.520 -0.145 2.899 145 HB3 CYS 22 1HB CYS 22 -3.763 -0.222 2.980 146 HG CYS 22 HG CYS 22 -6.042 -2.499 3.969 147 H GLY 23 H GLY 23 -2.435 -0.288 5.611 148 HA2 GLY 23 2HA GLY 23 -1.070 2.208 4.869 149 HA3 GLY 23 1HA GLY 23 -0.861 1.533 6.482 150 H GLN 24 H GLN 24 1.365 1.224 6.185 151 HA GLN 24 HA GLN 24 2.222 -0.307 3.875 152 HB2 GLN 24 2HB GLN 24 3.871 0.773 6.168 153 HB3 GLN 24 1HB GLN 24 4.480 0.162 4.633 154 HG2 GLN 24 2HG GLN 24 3.282 1.980 3.472 155 HG3 GLN 24 1HG GLN 24 2.786 2.620 5.035 156 HE21 GLN 24 1HE2 GLN 24 5.396 1.898 6.241 157 HE22 GLN 24 2HE2 GLN 24 6.511 3.089 5.651 158 H GLY 25 H GLY 25 3.153 -2.330 3.948 159 HA2 GLY 25 2HA GLY 25 3.556 -4.419 5.026 160 HA3 GLY 25 1HA GLY 25 2.584 -3.873 6.391 161 H ASN 26 H ASN 26 0.697 -2.742 4.266 162 HA ASN 26 HA ASN 26 -0.490 -5.269 3.343 163 HB2 ASN 26 2HB ASN 26 -1.894 -2.710 4.132 164 HB3 ASN 26 1HB ASN 26 -2.682 -4.094 3.379 165 HD21 ASN 26 1HD2 ASN 26 -1.360 -2.784 6.276 166 HD22 ASN 26 2HD2 ASN 26 -1.874 -4.052 7.337 167 H LYS 27 H LYS 27 -1.825 -4.972 1.359 168 HA LYS 27 HA LYS 27 -1.120 -2.705 -0.317 169 HB2 LYS 27 2HB LYS 27 0.705 -4.315 -0.691 170 HB3 LYS 27 1HB LYS 27 -0.470 -5.559 -1.092 171 HG2 LYS 27 2HG LYS 27 -1.027 -4.560 -3.117 172 HG3 LYS 27 1HG LYS 27 -0.354 -3.001 -2.638 173 HD2 LYS 27 2HD LYS 27 1.114 -4.031 -4.241 174 HD3 LYS 27 1HD LYS 27 1.904 -4.017 -2.662 175 HE2 LYS 27 2HE LYS 27 2.312 -6.152 -3.608 176 HE3 LYS 27 1HE LYS 27 1.087 -6.380 -2.361 177 HZ1 LYS 27 3HZ LYS 27 0.497 -7.611 -4.322 178 HZ2 LYS 27 1HZ LYS 27 0.613 -6.227 -5.295 179 HZ3 LYS 27 2HZ LYS 27 -0.604 -6.344 -4.128 180 H CYS 28 H CYS 28 -3.033 -2.078 -1.169 181 HA CYS 28 HA CYS 28 -5.216 -3.991 -1.289 182 HB2 CYS 28 2HB CYS 28 -5.812 -1.859 -0.350 183 HB3 CYS 28 1HB CYS 28 -5.092 -1.001 -1.708 184 HG CYS 28 HG CYS 28 -8.061 -2.643 -1.581 185 H ILE 29 H ILE 29 -6.101 -4.762 -3.115 186 HA ILE 29 HA ILE 29 -5.066 -3.773 -5.673 187 HB ILE 29 HB ILE 29 -5.351 -6.200 -6.474 188 HG12 ILE 29 2HG1 ILE 29 -5.069 -6.656 -3.502 189 HG13 ILE 29 1HG1 ILE 29 -6.522 -6.988 -4.442 190 HG21 ILE 29 1HG2 ILE 29 -3.196 -5.072 -6.276 191 HG22 ILE 29 2HG2 ILE 29 -3.066 -6.762 -5.793 192 HG23 ILE 29 3HG2 ILE 29 -3.122 -5.497 -4.566 193 HD11 ILE 29 3HD1 ILE 29 -5.288 -9.027 -4.007 194 HD12 ILE 29 1HD1 ILE 29 -3.848 -8.340 -4.759 195 HD13 ILE 29 2HD1 ILE 29 -5.283 -8.661 -5.732 196 H LEU 30 H LEU 30 -6.549 -3.283 -7.099 197 HA LEU 30 HA LEU 30 -9.338 -3.900 -6.469 198 HB2 LEU 30 2HB LEU 30 -8.157 -1.606 -8.040 199 HB3 LEU 30 1HB LEU 30 -9.874 -1.912 -7.878 200 HG LEU 30 HG LEU 30 -9.409 -1.730 -5.321 201 HD11 LEU 30 1HD1 LEU 30 -6.986 -1.693 -5.461 202 HD12 LEU 30 2HD1 LEU 30 -7.597 -0.190 -4.771 203 HD13 LEU 30 3HD1 LEU 30 -7.054 -0.233 -6.447 204 HD21 LEU 30 3HD2 LEU 30 -9.366 0.662 -7.151 205 HD22 LEU 30 1HD2 LEU 30 -9.783 0.689 -5.437 206 HD23 LEU 30 2HD2 LEU 30 -10.799 -0.193 -6.578 207 H GLY 31 H GLY 31 -9.870 -5.656 -7.605 208 HA2 GLY 31 2HA GLY 31 -10.757 -6.629 -9.507 209 HA3 GLY 31 1HA GLY 31 -9.972 -5.392 -10.448 210 H ARG 32 H ARG 32 -9.405 -8.317 -8.637 211 HA ARG 32 HA ARG 32 -7.295 -9.014 -10.541 212 HB2 ARG 32 2HB ARG 32 -6.529 -8.063 -8.196 213 HB3 ARG 32 1HB ARG 32 -6.925 -9.684 -7.648 214 HG2 ARG 32 2HG ARG 32 -4.551 -9.451 -8.179 215 HG3 ARG 32 1HG ARG 32 -5.341 -10.631 -9.228 216 HD2 ARG 32 2HD ARG 32 -3.767 -9.059 -10.394 217 HD3 ARG 32 1HD ARG 32 -5.407 -9.092 -11.044 218 HE ARG 32 HE ARG 32 -5.025 -7.044 -9.081 219 HH11 ARG 32 1HH1 ARG 32 -4.490 -7.830 -12.449 220 HH12 ARG 32 2HH1 ARG 32 -4.685 -6.190 -12.984 221 HH21 ARG 32 1HH2 ARG 32 -5.312 -4.877 -9.804 222 HH22 ARG 32 2HH2 ARG 32 -5.141 -4.519 -11.496 223 H GLY 33 H GLY 33 -9.395 -10.099 -11.212 224 HA2 GLY 33 2HA GLY 33 -10.204 -12.237 -11.669 225 HA3 GLY 33 1HA GLY 33 -9.276 -12.854 -10.306 226 H ASP 34 H ASP 34 -10.238 -13.146 -8.388 227 HA ASP 34 HA ASP 34 -13.113 -12.635 -8.235 228 HB2 ASP 34 2HB ASP 34 -11.277 -14.155 -6.366 229 HB3 ASP 34 1HB ASP 34 -13.026 -14.038 -6.199 230 H SER 35 H SER 35 -10.701 -10.746 -7.877 231 HA SER 35 HA SER 35 -11.469 -9.601 -5.278 232 HB2 SER 35 2HB SER 35 -9.022 -10.364 -5.816 233 HB3 SER 35 1HB SER 35 -8.961 -8.873 -6.764 234 HG SER 35 HG SER 35 -9.245 -9.235 -3.990 235 H LYS 36 H LYS 36 -12.038 -7.450 -5.197 236 HA LYS 36 HA LYS 36 -11.833 -5.902 -7.681 237 HB2 LYS 36 2HB LYS 36 -14.272 -6.177 -5.931 238 HB3 LYS 36 1HB LYS 36 -14.053 -4.822 -7.030 239 HG2 LYS 36 2HG LYS 36 -15.292 -6.236 -8.338 240 HG3 LYS 36 1HG LYS 36 -13.654 -6.708 -8.796 241 HD2 LYS 36 2HD LYS 36 -13.841 -8.491 -6.984 242 HD3 LYS 36 1HD LYS 36 -15.572 -8.139 -6.978 243 HE2 LYS 36 2HE LYS 36 -13.925 -9.062 -9.334 244 HE3 LYS 36 1HE LYS 36 -15.101 -10.022 -8.439 245 HZ1 LYS 36 3HZ LYS 36 -15.877 -9.054 -10.602 246 HZ2 LYS 36 1HZ LYS 36 -15.821 -7.528 -9.871 247 HZ3 LYS 36 2HZ LYS 36 -16.867 -8.718 -9.262 248 H ASN 37 H ASN 37 -12.171 -5.901 -4.193 249 HA ASN 37 HA ASN 37 -10.287 -3.735 -3.984 250 HB2 ASN 37 2HB ASN 37 -12.433 -2.516 -4.147 251 HB3 ASN 37 1HB ASN 37 -13.076 -3.469 -2.812 252 HD21 ASN 37 1HD2 ASN 37 -10.894 -0.956 -3.747 253 HD22 ASN 37 2HD2 ASN 37 -10.590 -0.358 -2.160 254 H GLN 38 H GLN 38 -8.910 -5.106 -2.834 255 HA GLN 38 HA GLN 38 -9.882 -5.878 -0.187 256 HB2 GLN 38 2HB GLN 38 -10.056 -7.723 -2.040 257 HB3 GLN 38 1HB GLN 38 -8.340 -7.906 -1.747 258 HG2 GLN 38 2HG GLN 38 -10.354 -8.024 0.469 259 HG3 GLN 38 1HG GLN 38 -9.950 -9.438 -0.497 260 HE21 GLN 38 1HE2 GLN 38 -7.173 -8.788 -0.803 261 HE22 GLN 38 2HE2 GLN 38 -6.435 -9.041 0.743 262 H CYS 39 H CYS 39 -8.399 -5.766 1.375 263 HA CYS 39 HA CYS 39 -5.767 -4.743 0.720 264 HB2 CYS 39 2HB CYS 39 -7.216 -5.128 3.329 265 HB3 CYS 39 1HB CYS 39 -5.570 -4.533 3.223 266 HG CYS 39 HG CYS 39 -7.566 -2.771 1.274 267 H VAL 40 H VAL 40 -4.573 -6.467 -0.052 268 HA VAL 40 HA VAL 40 -4.392 -8.891 1.548 269 HB VAL 40 HB VAL 40 -4.464 -8.747 -1.040 270 HG11 VAL 40 1HG1 VAL 40 -1.526 -8.249 -0.597 271 HG12 VAL 40 2HG1 VAL 40 -2.676 -7.134 -1.337 272 HG13 VAL 40 3HG1 VAL 40 -2.282 -8.656 -2.137 273 HG21 VAL 40 3HG2 VAL 40 -3.088 -10.791 -1.234 274 HG22 VAL 40 1HG2 VAL 40 -4.183 -10.827 0.148 275 HG23 VAL 40 2HG2 VAL 40 -2.468 -10.498 0.391 276 H THR 41 H THR 41 -2.219 -9.724 2.128 277 HA THR 41 HA THR 41 -0.771 -7.569 3.412 278 HB THR 41 HB THR 41 0.457 -9.498 4.522 279 HG1 THR 41 HG1 THR 41 -0.261 -11.531 4.161 280 HG21 THR 41 3HG2 THR 41 -1.413 -9.987 6.034 281 HG22 THR 41 1HG2 THR 41 -2.543 -9.329 4.852 282 HG23 THR 41 2HG2 THR 41 -1.357 -8.274 5.620 283 H GLY 42 H GLY 42 1.161 -6.883 2.891 284 HA2 GLY 42 2HA GLY 42 3.297 -8.264 1.827 285 HA3 GLY 42 1HA GLY 42 2.400 -7.651 0.443 286 H GLU 43 H GLU 43 3.525 -5.939 -0.304 287 HA GLU 43 HA GLU 43 3.663 -3.685 1.533 288 HB2 GLU 43 2HB GLU 43 5.915 -3.037 0.588 289 HB3 GLU 43 1HB GLU 43 5.903 -4.391 1.704 290 HG2 GLU 43 2HG GLU 43 6.006 -5.936 -0.195 291 HG3 GLU 43 1HG GLU 43 6.078 -4.553 -1.291 292 H GLY 44 H GLY 44 2.480 -2.189 0.675 293 HA2 GLY 44 2HA GLY 44 2.032 -2.176 -2.199 294 HA3 GLY 44 1HA GLY 44 1.074 -1.333 -0.995 295 H THR 45 H THR 45 1.127 0.607 -2.022 296 HA THR 45 HA THR 45 3.635 2.089 -1.814 297 HB THR 45 HB THR 45 2.248 2.927 -4.183 298 HG1 THR 45 HG1 THR 45 1.930 0.389 -3.879 299 HG21 THR 45 3HG2 THR 45 4.962 1.649 -3.824 300 HG22 THR 45 1HG2 THR 45 4.607 3.370 -3.677 301 HG23 THR 45 2HG2 THR 45 4.425 2.563 -5.233 302 HA PRO 46 HA PRO 46 0.923 5.221 -0.120 303 HB2 PRO 46 2HB PRO 46 2.812 7.075 -1.489 304 HB3 PRO 46 1HB PRO 46 2.276 7.063 0.196 305 HG2 PRO 46 2HG PRO 46 4.716 6.220 -0.460 306 HG3 PRO 46 1HG PRO 46 3.773 5.400 0.799 307 HD2 PRO 46 2HD PRO 46 4.307 4.562 -2.020 308 HD3 PRO 46 1HD PRO 46 4.179 3.572 -0.551 309 H LYS 47 H LYS 47 -0.823 6.335 -0.939 310 HA LYS 47 HA LYS 47 -1.252 5.967 -3.754 311 HB2 LYS 47 2HB LYS 47 -2.951 5.362 -2.034 312 HB3 LYS 47 1HB LYS 47 -3.104 7.072 -1.638 313 HG2 LYS 47 2HG LYS 47 -3.551 7.312 -4.186 314 HG3 LYS 47 1HG LYS 47 -3.942 5.604 -4.069 315 HD2 LYS 47 2HD LYS 47 -5.768 5.969 -2.720 316 HD3 LYS 47 1HD LYS 47 -5.149 7.516 -2.128 317 HE2 LYS 47 2HE LYS 47 -5.832 7.149 -5.000 318 HE3 LYS 47 1HE LYS 47 -7.105 7.504 -3.830 319 HZ1 LYS 47 3HZ LYS 47 -4.692 9.170 -4.348 320 HZ2 LYS 47 1HZ LYS 47 -5.904 9.512 -3.213 321 HZ3 LYS 47 2HZ LYS 47 -6.269 9.521 -4.869 322 HA PRO 48 HA PRO 48 -0.031 10.116 -4.766 323 HB2 PRO 48 2HB PRO 48 -1.609 9.506 -7.201 324 HB3 PRO 48 1HB PRO 48 0.060 10.065 -7.048 325 HG2 PRO 48 2HG PRO 48 -0.474 7.540 -7.720 326 HG3 PRO 48 1HG PRO 48 0.878 7.935 -6.641 327 HD2 PRO 48 2HD PRO 48 -1.829 6.845 -5.966 328 HD3 PRO 48 1HD PRO 48 -0.244 6.430 -5.280 329 H GLN 49 H GLN 49 -0.942 12.021 -4.636 330 HA GLN 49 HA GLN 49 -3.679 12.543 -5.235 331 HB2 GLN 49 2HB GLN 49 -4.032 13.497 -2.836 332 HB3 GLN 49 1HB GLN 49 -4.285 11.782 -3.128 333 HG2 GLN 49 2HG GLN 49 -2.183 11.233 -2.188 334 HG3 GLN 49 1HG GLN 49 -1.709 12.924 -2.093 335 HE21 GLN 49 1HE2 GLN 49 -3.588 10.390 -0.667 336 HE22 GLN 49 2HE2 GLN 49 -3.977 11.224 0.798 337 H SER 50 H SER 50 -1.343 13.939 -2.970 338 HA SER 50 HA SER 50 -1.228 16.332 -4.665 339 HB2 SER 50 2HB SER 50 -2.125 16.447 -2.239 340 HB3 SER 50 1HB SER 50 -0.444 16.230 -1.753 341 HG SER 50 HG SER 50 -1.295 18.253 -3.557 342 H HIS 51 H HIS 51 0.348 14.714 -5.798 343 HA HIS 51 HA HIS 51 2.952 14.499 -4.544 344 HB2 HIS 51 2HB HIS 51 1.840 13.675 -7.179 345 HB3 HIS 51 1HB HIS 51 3.575 13.752 -6.961 346 HD1 HIS 51 HD1 HIS 51 2.887 12.677 -3.794 347 HD2 HIS 51 HD2 HIS 51 2.390 10.831 -7.491 348 HE1 HIS 51 HE1 HIS 51 2.935 10.208 -3.336 349 HE2 HIS 51 HE2 HIS 51 2.910 9.131 -5.614 Start of MODEL 11 1 H1 VAL 1 1H VAL 1 -3.331 16.707 4.096 2 H2 VAL 1 2H VAL 1 -2.296 16.199 5.338 3 H3 VAL 1 3H VAL 1 -3.972 16.233 5.592 4 HA VAL 1 HA VAL 1 -2.571 14.483 3.666 5 HB VAL 1 HB VAL 1 -3.904 13.799 6.267 6 HG11 VAL 1 1HG1 VAL 1 -4.265 12.053 4.626 7 HG12 VAL 1 2HG1 VAL 1 -3.109 11.508 5.840 8 HG13 VAL 1 3HG1 VAL 1 -2.543 12.023 4.251 9 HG21 VAL 1 3HG2 VAL 1 -1.726 14.832 6.608 10 HG22 VAL 1 1HG2 VAL 1 -0.998 13.680 5.488 11 HG23 VAL 1 2HG2 VAL 1 -1.675 13.115 7.017 12 H VAL 2 H VAL 2 -3.849 13.695 2.099 13 HA VAL 2 HA VAL 2 -6.766 13.898 2.476 14 HB VAL 2 HB VAL 2 -5.322 14.366 -0.143 15 HG11 VAL 2 1HG1 VAL 2 -7.578 13.461 -0.387 16 HG12 VAL 2 2HG1 VAL 2 -7.502 15.134 -0.939 17 HG13 VAL 2 3HG1 VAL 2 -8.214 14.755 0.630 18 HG21 VAL 2 3HG2 VAL 2 -4.831 16.205 1.341 19 HG22 VAL 2 1HG2 VAL 2 -6.538 16.364 1.762 20 HG23 VAL 2 2HG2 VAL 2 -5.995 16.730 0.124 21 H TYR 3 H TYR 3 -6.719 11.661 3.116 22 HA TYR 3 HA TYR 3 -5.939 9.769 1.046 23 HB2 TYR 3 2HB TYR 3 -7.070 9.327 3.809 24 HB3 TYR 3 1HB TYR 3 -6.780 8.032 2.666 25 HD1 TYR 3 HD2 TYR 3 -4.157 9.489 1.604 26 HD2 TYR 3 HD1 TYR 3 -5.568 8.281 5.433 27 HE1 TYR 3 HE2 TYR 3 -1.836 9.276 2.385 28 HE2 TYR 3 HE1 TYR 3 -3.249 8.063 6.220 29 HH TYR 3 HH TYR 3 -1.000 7.721 5.284 30 H THR 4 H THR 4 -7.398 8.179 0.298 31 HA THR 4 HA THR 4 -10.230 8.752 0.387 32 HB THR 4 HB THR 4 -9.824 8.508 -2.346 33 HG1 THR 4 HG1 THR 4 -8.113 10.609 -1.558 34 HG21 THR 4 3HG2 THR 4 -11.490 9.926 -1.258 35 HG22 THR 4 1HG2 THR 4 -10.571 10.842 -2.452 36 HG23 THR 4 2HG2 THR 4 -10.221 11.031 -0.735 37 H ASP 5 H ASP 5 -10.786 7.180 -1.964 38 HA ASP 5 HA ASP 5 -10.278 4.549 -0.834 39 HB2 ASP 5 2HB ASP 5 -11.610 4.934 -3.498 40 HB3 ASP 5 1HB ASP 5 -12.006 3.806 -2.208 41 H CYS 6 H CYS 6 -9.113 2.910 -1.974 42 HA CYS 6 HA CYS 6 -6.806 3.769 -3.293 43 HB2 CYS 6 2HB CYS 6 -7.957 1.009 -3.613 44 HB3 CYS 6 1HB CYS 6 -6.268 1.503 -3.644 45 HG CYS 6 HG CYS 6 -6.984 -0.009 -1.305 46 H THR 7 H THR 7 -6.324 4.174 -5.324 47 HA THR 7 HA THR 7 -8.489 3.995 -7.294 48 HB THR 7 HB THR 7 -5.966 5.638 -7.471 49 HG1 THR 7 HG1 THR 7 -8.539 6.433 -6.486 50 HG21 THR 7 3HG2 THR 7 -7.274 6.991 -9.056 51 HG22 THR 7 1HG2 THR 7 -8.642 5.893 -8.861 52 HG23 THR 7 2HG2 THR 7 -7.144 5.317 -9.595 53 H GLU 8 H GLU 8 -5.288 2.915 -6.560 54 HA GLU 8 HA GLU 8 -5.150 1.549 -9.152 55 HB2 GLU 8 2HB GLU 8 -3.428 3.592 -8.198 56 HB3 GLU 8 1HB GLU 8 -2.522 2.089 -8.166 57 HG2 GLU 8 2HG GLU 8 -4.023 3.078 -10.573 58 HG3 GLU 8 1HG GLU 8 -2.312 3.389 -10.276 59 H SER 9 H SER 9 -3.777 -0.339 -9.133 60 HA SER 9 HA SER 9 -4.164 -1.838 -6.679 61 HB2 SER 9 2HB SER 9 -3.073 -2.703 -9.375 62 HB3 SER 9 1HB SER 9 -3.503 -3.779 -8.043 63 HG SER 9 HG SER 9 -5.076 -3.118 -9.935 64 H GLY 10 H GLY 10 -2.610 -1.994 -5.194 65 HA2 GLY 10 2HA GLY 10 -0.258 -2.621 -4.788 66 HA3 GLY 10 1HA GLY 10 0.176 -1.491 -6.061 67 H GLN 11 H GLN 11 -2.263 0.014 -4.625 68 HA GLN 11 HA GLN 11 -0.509 1.555 -2.880 69 HB2 GLN 11 2HB GLN 11 -3.123 2.002 -4.181 70 HB3 GLN 11 1HB GLN 11 -2.949 2.728 -2.582 71 HG2 GLN 11 2HG GLN 11 -1.920 4.407 -3.555 72 HG3 GLN 11 1HG GLN 11 -0.576 3.324 -3.886 73 HE21 GLN 11 1HE2 GLN 11 -3.343 4.945 -5.173 74 HE22 GLN 11 2HE2 GLN 11 -2.964 4.683 -6.837 75 H ASN 12 H ASN 12 -1.294 2.164 -0.682 76 HA ASN 12 HA ASN 12 -2.955 0.084 0.518 77 HB2 ASN 12 2HB ASN 12 -1.355 0.105 2.516 78 HB3 ASN 12 1HB ASN 12 -0.930 -0.852 1.109 79 HD21 ASN 12 1HD2 ASN 12 1.190 -0.835 1.891 80 HD22 ASN 12 2HD2 ASN 12 2.225 0.523 1.630 81 H LEU 13 H LEU 13 -1.153 3.011 1.361 82 HA LEU 13 HA LEU 13 -2.751 3.794 3.523 83 HB2 LEU 13 2HB LEU 13 -0.953 5.389 1.710 84 HB3 LEU 13 1HB LEU 13 -1.744 6.078 3.116 85 HG LEU 13 HG LEU 13 0.178 3.753 3.205 86 HD11 LEU 13 1HD1 LEU 13 1.756 5.357 4.172 87 HD12 LEU 13 2HD1 LEU 13 0.604 6.661 3.882 88 HD13 LEU 13 3HD1 LEU 13 1.315 5.792 2.520 89 HD21 LEU 13 3HD2 LEU 13 -1.409 3.724 5.040 90 HD22 LEU 13 1HD2 LEU 13 -1.073 5.420 5.386 91 HD23 LEU 13 2HD2 LEU 13 0.183 4.206 5.624 92 H CYS 14 H CYS 14 -4.708 3.161 2.233 93 HA CYS 14 HA CYS 14 -6.189 5.593 1.720 94 HB2 CYS 14 2HB CYS 14 -7.158 4.214 -0.384 95 HB3 CYS 14 1HB CYS 14 -5.880 5.410 -0.530 96 HG CYS 14 HG CYS 14 -5.501 2.013 -0.442 97 H LEU 15 H LEU 15 -8.559 5.107 1.608 98 HA LEU 15 HA LEU 15 -9.190 3.032 3.518 99 HB2 LEU 15 2HB LEU 15 -11.573 4.103 2.389 100 HB3 LEU 15 1HB LEU 15 -10.928 4.334 3.993 101 HG LEU 15 HG LEU 15 -10.009 6.064 1.712 102 HD11 LEU 15 1HD1 LEU 15 -12.398 6.491 3.501 103 HD12 LEU 15 2HD1 LEU 15 -12.428 6.238 1.756 104 HD13 LEU 15 3HD1 LEU 15 -11.703 7.701 2.425 105 HD21 LEU 15 3HD2 LEU 15 -10.120 6.435 4.701 106 HD22 LEU 15 1HD2 LEU 15 -9.580 7.649 3.545 107 HD23 LEU 15 2HD2 LEU 15 -8.676 6.148 3.731 108 H CYS 16 H CYS 16 -8.525 1.259 2.273 109 HA CYS 16 HA CYS 16 -9.637 0.560 -0.226 110 HB2 CYS 16 2HB CYS 16 -7.525 -0.382 0.512 111 HB3 CYS 16 1HB CYS 16 -8.304 -1.108 1.910 112 HG CYS 16 HG CYS 16 -9.997 -2.387 -0.417 113 H GLU 17 H GLU 17 -10.025 -1.423 2.671 114 HA GLU 17 HA GLU 17 -12.624 -2.289 1.870 115 HB2 GLU 17 2HB GLU 17 -10.975 -3.654 3.193 116 HB3 GLU 17 1HB GLU 17 -11.288 -2.601 4.557 117 HG2 GLU 17 2HG GLU 17 -12.527 -4.684 4.731 118 HG3 GLU 17 1HG GLU 17 -13.605 -3.295 4.608 119 H GLY 18 H GLY 18 -14.535 -2.014 3.188 120 HA2 GLY 18 2HA GLY 18 -15.959 0.014 3.318 121 HA3 GLY 18 1HA GLY 18 -15.768 -0.760 4.876 122 H SER 19 H SER 19 -14.155 0.136 6.339 123 HA SER 19 HA SER 19 -13.507 2.952 5.740 124 HB2 SER 19 2HB SER 19 -13.759 3.264 8.278 125 HB3 SER 19 1HB SER 19 -15.244 3.091 7.342 126 HG SER 19 HG SER 19 -14.934 1.779 9.366 127 H ASN 20 H ASN 20 -12.056 0.218 5.736 128 HA ASN 20 HA ASN 20 -10.031 0.603 7.775 129 HB2 ASN 20 2HB ASN 20 -10.327 -1.445 5.578 130 HB3 ASN 20 1HB ASN 20 -8.963 -1.405 6.685 131 HD21 ASN 20 1HD2 ASN 20 -12.140 -0.528 7.755 132 HD22 ASN 20 2HD2 ASN 20 -12.442 -1.947 8.687 133 H VAL 21 H VAL 21 -8.588 2.139 7.467 134 HA VAL 21 HA VAL 21 -7.612 2.782 4.805 135 HB VAL 21 HB VAL 21 -6.620 3.892 7.444 136 HG11 VAL 21 1HG1 VAL 21 -5.899 5.791 6.082 137 HG12 VAL 21 2HG1 VAL 21 -6.515 4.989 4.636 138 HG13 VAL 21 3HG1 VAL 21 -5.164 4.285 5.526 139 HG21 VAL 21 3HG2 VAL 21 -8.157 5.789 7.066 140 HG22 VAL 21 1HG2 VAL 21 -9.007 4.270 7.352 141 HG23 VAL 21 2HG2 VAL 21 -8.871 4.907 5.716 142 H CYS 22 H CYS 22 -6.240 1.298 4.033 143 HA CYS 22 HA CYS 22 -4.650 -0.310 5.778 144 HB2 CYS 22 2HB CYS 22 -5.433 -0.378 2.991 145 HB3 CYS 22 1HB CYS 22 -3.707 -0.683 3.169 146 HG CYS 22 HG CYS 22 -6.285 -2.637 3.947 147 H GLY 23 H GLY 23 -2.298 -0.600 5.425 148 HA2 GLY 23 2HA GLY 23 -0.874 1.759 4.496 149 HA3 GLY 23 1HA GLY 23 -0.739 1.393 6.210 150 H GLN 24 H GLN 24 1.302 0.670 6.438 151 HA GLN 24 HA GLN 24 2.518 -0.875 4.312 152 HB2 GLN 24 2HB GLN 24 3.517 0.491 6.783 153 HB3 GLN 24 1HB GLN 24 4.499 -0.770 6.053 154 HG2 GLN 24 2HG GLN 24 5.225 1.395 5.276 155 HG3 GLN 24 1HG GLN 24 4.521 0.484 3.943 156 HE21 GLN 24 1HE2 GLN 24 4.167 2.361 2.771 157 HE22 GLN 24 2HE2 GLN 24 2.891 3.458 3.168 158 H GLY 25 H GLY 25 2.773 -2.981 4.319 159 HA2 GLY 25 2HA GLY 25 3.133 -5.073 5.533 160 HA3 GLY 25 1HA GLY 25 1.999 -4.479 6.746 161 H ASN 26 H ASN 26 0.438 -3.283 4.458 162 HA ASN 26 HA ASN 26 -0.652 -5.754 3.292 163 HB2 ASN 26 2HB ASN 26 -2.184 -3.295 4.174 164 HB3 ASN 26 1HB ASN 26 -2.879 -4.619 3.247 165 HD21 ASN 26 1HD2 ASN 26 -3.564 -3.580 5.886 166 HD22 ASN 26 2HD2 ASN 26 -3.427 -4.914 6.984 167 H LYS 27 H LYS 27 -1.691 -5.437 1.201 168 HA LYS 27 HA LYS 27 -0.978 -2.976 -0.193 169 HB2 LYS 27 2HB LYS 27 0.871 -4.472 -0.681 170 HB3 LYS 27 1HB LYS 27 -0.240 -5.749 -1.149 171 HG2 LYS 27 2HG LYS 27 -0.724 -4.783 -3.169 172 HG3 LYS 27 1HG LYS 27 -0.351 -3.154 -2.602 173 HD2 LYS 27 2HD LYS 27 1.352 -3.870 -4.157 174 HD3 LYS 27 1HD LYS 27 2.042 -3.755 -2.538 175 HE2 LYS 27 2HE LYS 27 2.891 -5.745 -3.496 176 HE3 LYS 27 1HE LYS 27 1.666 -6.238 -2.328 177 HZ1 LYS 27 3HZ LYS 27 1.537 -7.446 -4.449 178 HZ2 LYS 27 1HZ LYS 27 1.202 -5.991 -5.253 179 HZ3 LYS 27 2HZ LYS 27 0.110 -6.601 -4.109 180 H CYS 28 H CYS 28 -2.793 -2.245 -1.125 181 HA CYS 28 HA CYS 28 -5.007 -4.098 -1.497 182 HB2 CYS 28 2HB CYS 28 -5.572 -2.066 -0.337 183 HB3 CYS 28 1HB CYS 28 -4.854 -1.085 -1.608 184 HG CYS 28 HG CYS 28 -7.794 -2.798 -1.683 185 H ILE 29 H ILE 29 -5.803 -4.691 -3.405 186 HA ILE 29 HA ILE 29 -4.831 -3.343 -5.810 187 HB ILE 29 HB ILE 29 -4.801 -5.590 -6.948 188 HG12 ILE 29 2HG1 ILE 29 -4.721 -6.622 -4.112 189 HG13 ILE 29 1HG1 ILE 29 -6.122 -6.749 -5.171 190 HG21 ILE 29 1HG2 ILE 29 -2.564 -6.157 -6.201 191 HG22 ILE 29 2HG2 ILE 29 -2.798 -5.228 -4.722 192 HG23 ILE 29 3HG2 ILE 29 -2.749 -4.403 -6.279 193 HD11 ILE 29 3HD1 ILE 29 -4.808 -8.106 -6.722 194 HD12 ILE 29 1HD1 ILE 29 -4.890 -8.827 -5.114 195 HD13 ILE 29 2HD1 ILE 29 -3.425 -7.993 -5.634 196 H LEU 30 H LEU 30 -6.268 -3.212 -7.440 197 HA LEU 30 HA LEU 30 -9.028 -3.881 -6.823 198 HB2 LEU 30 2HB LEU 30 -7.832 -2.076 -8.933 199 HB3 LEU 30 1HB LEU 30 -9.545 -2.413 -8.791 200 HG LEU 30 HG LEU 30 -9.318 -1.477 -6.395 201 HD11 LEU 30 1HD1 LEU 30 -6.903 -1.435 -6.278 202 HD12 LEU 30 2HD1 LEU 30 -7.564 0.191 -6.112 203 HD13 LEU 30 3HD1 LEU 30 -6.839 -0.314 -7.638 204 HD21 LEU 30 3HD2 LEU 30 -9.059 0.330 -8.793 205 HD22 LEU 30 1HD2 LEU 30 -9.662 0.806 -7.206 206 HD23 LEU 30 2HD2 LEU 30 -10.555 -0.371 -8.171 207 H GLY 31 H GLY 31 -9.338 -5.980 -7.369 208 HA2 GLY 31 2HA GLY 31 -8.180 -6.927 -9.886 209 HA3 GLY 31 1HA GLY 31 -8.750 -7.941 -8.569 210 H ARG 32 H ARG 32 -10.566 -8.960 -8.936 211 HA ARG 32 HA ARG 32 -12.677 -7.762 -10.525 212 HB2 ARG 32 2HB ARG 32 -11.178 -10.220 -11.430 213 HB3 ARG 32 1HB ARG 32 -12.795 -9.833 -11.996 214 HG2 ARG 32 2HG ARG 32 -10.337 -8.137 -12.367 215 HG3 ARG 32 1HG ARG 32 -11.116 -9.132 -13.598 216 HD2 ARG 32 2HD ARG 32 -12.381 -6.795 -12.171 217 HD3 ARG 32 1HD ARG 32 -11.719 -6.757 -13.804 218 HE ARG 32 HE ARG 32 -13.508 -8.720 -14.029 219 HH11 ARG 32 1HH1 ARG 32 -13.804 -5.582 -12.476 220 HH12 ARG 32 2HH1 ARG 32 -15.478 -5.389 -12.912 221 HH21 ARG 32 1HH2 ARG 32 -15.716 -8.468 -14.585 222 HH22 ARG 32 2HH2 ARG 32 -16.564 -7.033 -14.084 223 H GLY 33 H GLY 33 -14.504 -9.505 -10.784 224 HA2 GLY 33 2HA GLY 33 -16.087 -10.753 -9.687 225 HA3 GLY 33 1HA GLY 33 -14.754 -11.538 -8.846 226 H ASP 34 H ASP 34 -15.321 -11.516 -6.754 227 HA ASP 34 HA ASP 34 -16.469 -9.101 -5.597 228 HB2 ASP 34 2HB ASP 34 -16.913 -10.379 -3.652 229 HB3 ASP 34 1HB ASP 34 -17.219 -11.473 -4.995 230 H SER 35 H SER 35 -13.476 -10.110 -6.393 231 HA SER 35 HA SER 35 -12.152 -8.887 -4.072 232 HB2 SER 35 2HB SER 35 -11.514 -11.232 -4.914 233 HB3 SER 35 1HB SER 35 -10.812 -10.418 -6.305 234 HG SER 35 HG SER 35 -9.196 -9.740 -5.121 235 H LYS 36 H LYS 36 -13.426 -7.100 -5.641 236 HA LYS 36 HA LYS 36 -11.694 -6.133 -7.733 237 HB2 LYS 36 2HB LYS 36 -13.396 -4.206 -7.774 238 HB3 LYS 36 1HB LYS 36 -13.937 -5.800 -8.266 239 HG2 LYS 36 2HG LYS 36 -15.644 -4.796 -6.940 240 HG3 LYS 36 1HG LYS 36 -14.931 -6.099 -5.999 241 HD2 LYS 36 2HD LYS 36 -13.578 -4.444 -4.772 242 HD3 LYS 36 1HD LYS 36 -14.335 -3.152 -5.705 243 HE2 LYS 36 2HE LYS 36 -15.840 -5.094 -3.961 244 HE3 LYS 36 1HE LYS 36 -15.315 -3.495 -3.440 245 HZ1 LYS 36 3HZ LYS 36 -17.087 -3.970 -5.775 246 HZ2 LYS 36 1HZ LYS 36 -16.706 -2.479 -5.059 247 HZ3 LYS 36 2HZ LYS 36 -17.655 -3.608 -4.219 248 H ASN 37 H ASN 37 -11.927 -5.690 -4.414 249 HA ASN 37 HA ASN 37 -9.836 -3.730 -4.393 250 HB2 ASN 37 2HB ASN 37 -11.776 -2.261 -4.522 251 HB3 ASN 37 1HB ASN 37 -12.565 -3.136 -3.213 252 HD21 ASN 37 1HD2 ASN 37 -10.024 -0.914 -4.049 253 HD22 ASN 37 2HD2 ASN 37 -9.743 -0.346 -2.450 254 H GLN 38 H GLN 38 -8.556 -5.199 -3.263 255 HA GLN 38 HA GLN 38 -9.626 -6.075 -0.663 256 HB2 GLN 38 2HB GLN 38 -9.772 -7.774 -2.613 257 HB3 GLN 38 1HB GLN 38 -8.043 -7.954 -2.385 258 HG2 GLN 38 2HG GLN 38 -9.969 -8.292 -0.117 259 HG3 GLN 38 1HG GLN 38 -9.618 -9.608 -1.233 260 HE21 GLN 38 1HE2 GLN 38 -9.102 -9.288 1.644 261 HE22 GLN 38 2HE2 GLN 38 -7.399 -9.539 1.830 262 H CYS 39 H CYS 39 -8.243 -6.052 0.985 263 HA CYS 39 HA CYS 39 -5.555 -5.052 0.544 264 HB2 CYS 39 2HB CYS 39 -7.156 -5.554 3.039 265 HB3 CYS 39 1HB CYS 39 -5.493 -4.999 3.060 266 HG CYS 39 HG CYS 39 -7.843 -3.225 1.363 267 H VAL 40 H VAL 40 -4.366 -6.758 -0.266 268 HA VAL 40 HA VAL 40 -4.281 -9.263 1.212 269 HB VAL 40 HB VAL 40 -4.194 -8.969 -1.354 270 HG11 VAL 40 1HG1 VAL 40 -1.928 -8.815 -2.296 271 HG12 VAL 40 2HG1 VAL 40 -1.310 -8.421 -0.692 272 HG13 VAL 40 3HG1 VAL 40 -2.442 -7.330 -1.494 273 HG21 VAL 40 3HG2 VAL 40 -2.223 -10.774 0.043 274 HG22 VAL 40 1HG2 VAL 40 -2.810 -10.982 -1.608 275 HG23 VAL 40 2HG2 VAL 40 -3.929 -11.111 -0.251 276 H THR 41 H THR 41 -2.012 -10.128 1.733 277 HA THR 41 HA THR 41 -0.731 -8.075 3.334 278 HB THR 41 HB THR 41 0.564 -10.017 4.284 279 HG1 THR 41 HG1 THR 41 0.212 -11.375 2.371 280 HG21 THR 41 3HG2 THR 41 -1.456 -9.174 5.376 281 HG22 THR 41 1HG2 THR 41 -1.338 -10.926 5.543 282 HG23 THR 41 2HG2 THR 41 -2.451 -10.225 4.369 283 H GLY 42 H GLY 42 1.093 -7.136 2.888 284 HA2 GLY 42 2HA GLY 42 3.373 -8.179 1.751 285 HA3 GLY 42 1HA GLY 42 2.426 -7.550 0.406 286 H GLU 43 H GLU 43 3.530 -5.743 -0.146 287 HA GLU 43 HA GLU 43 3.464 -3.586 1.820 288 HB2 GLU 43 2HB GLU 43 5.902 -4.292 0.181 289 HB3 GLU 43 1HB GLU 43 5.704 -2.790 1.069 290 HG2 GLU 43 2HG GLU 43 5.438 -4.187 3.145 291 HG3 GLU 43 1HG GLU 43 5.943 -5.569 2.174 292 H GLY 44 H GLY 44 2.129 -2.180 0.911 293 HA2 GLY 44 2HA GLY 44 2.049 -1.929 -1.988 294 HA3 GLY 44 1HA GLY 44 0.902 -1.243 -0.851 295 H THR 45 H THR 45 0.985 0.785 -1.749 296 HA THR 45 HA THR 45 3.356 2.352 -1.081 297 HB THR 45 HB THR 45 2.325 3.303 -3.581 298 HG1 THR 45 HG1 THR 45 1.891 0.851 -3.615 299 HG21 THR 45 3HG2 THR 45 4.547 3.800 -2.746 300 HG22 THR 45 1HG2 THR 45 4.675 2.964 -4.295 301 HG23 THR 45 2HG2 THR 45 4.979 2.090 -2.793 302 HA PRO 46 HA PRO 46 0.312 5.254 0.404 303 HB2 PRO 46 2HB PRO 46 2.174 7.305 -0.689 304 HB3 PRO 46 1HB PRO 46 1.484 7.164 0.933 305 HG2 PRO 46 2HG PRO 46 4.027 6.527 0.488 306 HG3 PRO 46 1HG PRO 46 3.030 5.562 1.594 307 HD2 PRO 46 2HD PRO 46 3.882 4.962 -1.208 308 HD3 PRO 46 1HD PRO 46 3.719 3.868 0.179 309 H LYS 47 H LYS 47 -1.411 6.299 -0.485 310 HA LYS 47 HA LYS 47 -1.632 6.209 -3.360 311 HB2 LYS 47 2HB LYS 47 -3.372 5.331 -1.771 312 HB3 LYS 47 1HB LYS 47 -3.664 6.989 -1.259 313 HG2 LYS 47 2HG LYS 47 -3.969 7.337 -3.854 314 HG3 LYS 47 1HG LYS 47 -4.352 5.625 -3.779 315 HD2 LYS 47 2HD LYS 47 -6.230 5.951 -2.506 316 HD3 LYS 47 1HD LYS 47 -5.628 7.466 -1.828 317 HE2 LYS 47 2HE LYS 47 -6.184 7.268 -4.741 318 HE3 LYS 47 1HE LYS 47 -7.534 7.478 -3.627 319 HZ1 LYS 47 3HZ LYS 47 -5.170 9.288 -3.685 320 HZ2 LYS 47 1HZ LYS 47 -6.646 9.533 -2.889 321 HZ3 LYS 47 2HZ LYS 47 -6.580 9.576 -4.577 322 HA PRO 48 HA PRO 48 -0.772 10.503 -4.170 323 HB2 PRO 48 2HB PRO 48 -3.096 10.139 -6.011 324 HB3 PRO 48 1HB PRO 48 -1.509 10.846 -6.329 325 HG2 PRO 48 2HG PRO 48 -2.081 8.390 -7.161 326 HG3 PRO 48 1HG PRO 48 -0.476 8.779 -6.513 327 HD2 PRO 48 2HD PRO 48 -2.710 7.266 -5.262 328 HD3 PRO 48 1HD PRO 48 -0.959 7.058 -5.075 329 H GLN 49 H GLN 49 -1.469 12.390 -3.501 330 HA GLN 49 HA GLN 49 -4.254 12.909 -2.889 331 HB2 GLN 49 2HB GLN 49 -3.523 13.815 -0.625 332 HB3 GLN 49 1HB GLN 49 -3.609 12.071 -0.816 333 HG2 GLN 49 2HG GLN 49 -1.301 11.848 -0.957 334 HG3 GLN 49 1HG GLN 49 -1.055 13.574 -1.181 335 HE21 GLN 49 1HE2 GLN 49 0.352 13.725 0.553 336 HE22 GLN 49 2HE2 GLN 49 -0.186 13.618 2.195 337 H SER 50 H SER 50 -1.313 13.812 -4.013 338 HA SER 50 HA SER 50 -1.921 16.620 -4.180 339 HB2 SER 50 2HB SER 50 0.603 15.713 -2.764 340 HB3 SER 50 1HB SER 50 0.127 17.380 -3.091 341 HG SER 50 HG SER 50 -1.876 16.658 -1.832 342 H HIS 51 H HIS 51 -1.607 14.463 -6.060 343 HA HIS 51 HA HIS 51 0.935 14.998 -7.404 344 HB2 HIS 51 2HB HIS 51 -1.366 13.150 -7.972 345 HB3 HIS 51 1HB HIS 51 -0.084 13.414 -9.138 346 HD1 HIS 51 HD1 HIS 51 1.040 11.199 -9.102 347 HD2 HIS 51 HD2 HIS 51 0.510 12.748 -5.286 348 HE1 HIS 51 HE1 HIS 51 2.284 9.649 -7.570 349 HE2 HIS 51 HE2 HIS 51 1.836 10.520 -5.248 Start of MODEL 12 1 H1 VAL 1 1H VAL 1 -5.621 15.878 6.735 2 H2 VAL 1 2H VAL 1 -4.582 15.391 5.491 3 H3 VAL 1 3H VAL 1 -3.990 15.554 7.073 4 HA VAL 1 HA VAL 1 -4.302 13.241 6.484 5 HB VAL 1 HB VAL 1 -5.765 12.585 8.389 6 HG11 VAL 1 1HG1 VAL 1 -3.433 13.072 8.791 7 HG12 VAL 1 2HG1 VAL 1 -4.405 13.659 10.140 8 HG13 VAL 1 3HG1 VAL 1 -3.789 14.791 8.938 9 HG21 VAL 1 3HG2 VAL 1 -6.736 14.325 9.812 10 HG22 VAL 1 1HG2 VAL 1 -7.445 14.346 8.199 11 HG23 VAL 1 2HG2 VAL 1 -6.242 15.555 8.649 12 H VAL 2 H VAL 2 -5.841 14.630 4.452 13 HA VAL 2 HA VAL 2 -8.442 13.320 4.508 14 HB VAL 2 HB VAL 2 -7.243 15.080 2.359 15 HG11 VAL 2 1HG1 VAL 2 -9.590 15.306 1.607 16 HG12 VAL 2 2HG1 VAL 2 -10.058 14.086 2.792 17 HG13 VAL 2 3HG1 VAL 2 -8.975 13.661 1.468 18 HG21 VAL 2 3HG2 VAL 2 -9.201 15.778 4.547 19 HG22 VAL 2 1HG2 VAL 2 -8.661 16.854 3.258 20 HG23 VAL 2 2HG2 VAL 2 -7.514 16.286 4.471 21 H TYR 3 H TYR 3 -8.104 11.177 4.245 22 HA TYR 3 HA TYR 3 -6.399 10.223 2.094 23 HB2 TYR 3 2HB TYR 3 -7.973 8.766 4.227 24 HB3 TYR 3 1HB TYR 3 -7.027 7.952 2.986 25 HD1 TYR 3 HD2 TYR 3 -6.709 10.429 5.759 26 HD2 TYR 3 HD1 TYR 3 -4.773 7.488 3.369 27 HE1 TYR 3 HE2 TYR 3 -4.703 10.612 7.168 28 HE2 TYR 3 HE1 TYR 3 -2.760 7.667 4.768 29 HH TYR 3 HH TYR 3 -2.725 9.098 7.767 30 H THR 4 H THR 4 -7.262 8.533 0.637 31 HA THR 4 HA THR 4 -10.048 8.985 -0.108 32 HB THR 4 HB THR 4 -8.949 8.998 -2.561 33 HG1 THR 4 HG1 THR 4 -7.141 10.716 -1.310 34 HG21 THR 4 3HG2 THR 4 -9.215 11.433 -2.561 35 HG22 THR 4 1HG2 THR 4 -9.237 11.435 -0.798 36 HG23 THR 4 2HG2 THR 4 -10.537 10.652 -1.695 37 H ASP 5 H ASP 5 -10.336 7.512 -2.295 38 HA ASP 5 HA ASP 5 -9.756 4.841 -1.295 39 HB2 ASP 5 2HB ASP 5 -11.419 5.802 -3.637 40 HB3 ASP 5 1HB ASP 5 -11.221 4.108 -3.207 41 H CYS 6 H CYS 6 -8.921 3.174 -2.714 42 HA CYS 6 HA CYS 6 -6.410 3.934 -3.686 43 HB2 CYS 6 2HB CYS 6 -7.726 1.342 -4.433 44 HB3 CYS 6 1HB CYS 6 -6.030 1.670 -4.109 45 HG CYS 6 HG CYS 6 -6.765 0.139 -2.001 46 H THR 7 H THR 7 -5.632 4.394 -5.629 47 HA THR 7 HA THR 7 -7.533 4.691 -7.831 48 HB THR 7 HB THR 7 -4.728 5.784 -7.697 49 HG1 THR 7 HG1 THR 7 -7.150 6.908 -6.675 50 HG21 THR 7 3HG2 THR 7 -7.207 6.702 -9.166 51 HG22 THR 7 1HG2 THR 7 -5.830 5.871 -9.887 52 HG23 THR 7 2HG2 THR 7 -5.631 7.491 -9.219 53 H GLU 8 H GLU 8 -4.930 2.775 -6.785 54 HA GLU 8 HA GLU 8 -4.795 1.407 -9.346 55 HB2 GLU 8 2HB GLU 8 -2.695 3.096 -8.259 56 HB3 GLU 8 1HB GLU 8 -2.136 1.455 -8.517 57 HG2 GLU 8 2HG GLU 8 -3.379 3.281 -10.563 58 HG3 GLU 8 1HG GLU 8 -1.679 2.830 -10.448 59 H SER 9 H SER 9 -3.794 -0.678 -9.189 60 HA SER 9 HA SER 9 -4.325 -1.932 -6.619 61 HB2 SER 9 2HB SER 9 -3.613 -3.166 -9.295 62 HB3 SER 9 1HB SER 9 -4.173 -4.036 -7.864 63 HG SER 9 HG SER 9 -5.881 -3.624 -9.335 64 H GLY 10 H GLY 10 -2.753 -2.419 -5.224 65 HA2 GLY 10 2HA GLY 10 -0.450 -3.215 -4.864 66 HA3 GLY 10 1HA GLY 10 0.032 -2.196 -6.215 67 H GLN 11 H GLN 11 -2.229 -0.443 -4.757 68 HA GLN 11 HA GLN 11 -0.323 1.063 -3.150 69 HB2 GLN 11 2HB GLN 11 -2.893 1.625 -4.452 70 HB3 GLN 11 1HB GLN 11 -2.773 2.306 -2.829 71 HG2 GLN 11 2HG GLN 11 -1.674 4.002 -3.736 72 HG3 GLN 11 1HG GLN 11 -0.335 2.895 -4.013 73 HE21 GLN 11 1HE2 GLN 11 -2.925 4.664 -5.405 74 HE22 GLN 11 2HE2 GLN 11 -2.512 4.385 -7.061 75 H ASN 12 H ASN 12 -1.268 1.913 -0.979 76 HA ASN 12 HA ASN 12 -2.985 -0.061 0.290 77 HB2 ASN 12 2HB ASN 12 -1.402 -0.031 2.301 78 HB3 ASN 12 1HB ASN 12 -1.019 -1.071 0.943 79 HD21 ASN 12 1HD2 ASN 12 1.123 -1.164 1.564 80 HD22 ASN 12 2HD2 ASN 12 2.211 0.160 1.318 81 H LEU 13 H LEU 13 -1.062 2.818 1.049 82 HA LEU 13 HA LEU 13 -2.655 3.775 3.131 83 HB2 LEU 13 2HB LEU 13 -0.722 5.147 1.288 84 HB3 LEU 13 1HB LEU 13 -1.542 6.005 2.580 85 HG LEU 13 HG LEU 13 0.174 3.570 3.025 86 HD11 LEU 13 1HD1 LEU 13 1.548 5.354 2.129 87 HD12 LEU 13 2HD1 LEU 13 1.873 5.143 3.850 88 HD13 LEU 13 3HD1 LEU 13 0.876 6.489 3.298 89 HD21 LEU 13 3HD2 LEU 13 -1.471 3.964 4.772 90 HD22 LEU 13 1HD2 LEU 13 -0.947 5.642 4.908 91 HD23 LEU 13 2HD2 LEU 13 0.149 4.338 5.360 92 H CYS 14 H CYS 14 -4.643 3.207 1.962 93 HA CYS 14 HA CYS 14 -5.993 5.650 1.173 94 HB2 CYS 14 2HB CYS 14 -7.051 4.139 -0.763 95 HB3 CYS 14 1HB CYS 14 -5.633 5.136 -1.030 96 HG CYS 14 HG CYS 14 -4.762 2.152 0.086 97 H LEU 15 H LEU 15 -8.436 5.204 1.009 98 HA LEU 15 HA LEU 15 -9.212 3.389 3.123 99 HB2 LEU 15 2HB LEU 15 -11.293 4.382 1.275 100 HB3 LEU 15 1HB LEU 15 -11.304 4.286 3.022 101 HG LEU 15 HG LEU 15 -9.834 6.415 1.458 102 HD11 LEU 15 1HD1 LEU 15 -12.243 6.606 1.126 103 HD12 LEU 15 2HD1 LEU 15 -11.637 7.912 2.146 104 HD13 LEU 15 3HD1 LEU 15 -12.495 6.550 2.871 105 HD21 LEU 15 3HD2 LEU 15 -10.481 6.143 4.388 106 HD22 LEU 15 1HD2 LEU 15 -9.737 7.552 3.632 107 HD23 LEU 15 2HD2 LEU 15 -8.886 6.009 3.647 108 H CYS 16 H CYS 16 -8.491 1.477 2.324 109 HA CYS 16 HA CYS 16 -9.125 0.496 -0.246 110 HB2 CYS 16 2HB CYS 16 -7.989 -0.718 2.243 111 HB3 CYS 16 1HB CYS 16 -8.166 -1.625 0.754 112 HG CYS 16 HG CYS 16 -6.640 1.075 -0.098 113 H GLU 17 H GLU 17 -9.811 -1.126 2.773 114 HA GLU 17 HA GLU 17 -12.119 -2.427 1.579 115 HB2 GLU 17 2HB GLU 17 -10.237 -3.395 3.139 116 HB3 GLU 17 1HB GLU 17 -11.298 -2.757 4.384 117 HG2 GLU 17 2HG GLU 17 -12.254 -4.669 2.279 118 HG3 GLU 17 1HG GLU 17 -11.555 -5.213 3.800 119 H GLY 18 H GLY 18 -14.069 -1.763 1.900 120 HA2 GLY 18 2HA GLY 18 -15.813 -0.387 2.523 121 HA3 GLY 18 1HA GLY 18 -15.293 -0.765 4.161 122 H SER 19 H SER 19 -14.021 0.691 5.292 123 HA SER 19 HA SER 19 -13.273 3.170 3.908 124 HB2 SER 19 2HB SER 19 -13.735 4.117 6.344 125 HB3 SER 19 1HB SER 19 -14.990 4.077 5.108 126 HG SER 19 HG SER 19 -15.627 2.024 6.026 127 H ASN 20 H ASN 20 -11.989 0.566 5.131 128 HA ASN 20 HA ASN 20 -10.295 1.530 7.216 129 HB2 ASN 20 2HB ASN 20 -10.195 -0.964 5.520 130 HB3 ASN 20 1HB ASN 20 -9.012 -0.609 6.777 131 HD21 ASN 20 1HD2 ASN 20 -12.310 -1.416 6.093 132 HD22 ASN 20 2HD2 ASN 20 -12.745 -1.826 7.711 133 H VAL 21 H VAL 21 -8.515 2.595 7.094 134 HA VAL 21 HA VAL 21 -7.399 3.216 4.467 135 HB VAL 21 HB VAL 21 -6.288 4.240 7.066 136 HG11 VAL 21 1HG1 VAL 21 -5.687 6.171 5.683 137 HG12 VAL 21 2HG1 VAL 21 -6.392 5.364 4.281 138 HG13 VAL 21 3HG1 VAL 21 -4.989 4.665 5.091 139 HG21 VAL 21 3HG2 VAL 21 -8.619 4.715 7.279 140 HG22 VAL 21 1HG2 VAL 21 -8.706 5.288 5.617 141 HG23 VAL 21 2HG2 VAL 21 -7.804 6.208 6.815 142 H CYS 22 H CYS 22 -6.317 1.398 3.826 143 HA CYS 22 HA CYS 22 -4.804 -0.183 5.595 144 HB2 CYS 22 2HB CYS 22 -5.597 -0.380 2.871 145 HB3 CYS 22 1HB CYS 22 -3.849 -0.543 2.921 146 HG CYS 22 HG CYS 22 -5.834 -2.371 5.002 147 H GLY 23 H GLY 23 -2.481 -0.529 5.571 148 HA2 GLY 23 2HA GLY 23 -0.994 1.904 4.825 149 HA3 GLY 23 1HA GLY 23 -0.821 1.191 6.422 150 H GLN 24 H GLN 24 1.421 0.863 6.050 151 HA GLN 24 HA GLN 24 2.168 -0.750 3.764 152 HB2 GLN 24 2HB GLN 24 3.885 0.490 5.923 153 HB3 GLN 24 1HB GLN 24 4.484 -0.321 4.480 154 HG2 GLN 24 2HG GLN 24 3.268 1.393 3.120 155 HG3 GLN 24 1HG GLN 24 2.925 2.247 4.622 156 HE21 GLN 24 1HE2 GLN 24 5.536 1.471 5.752 157 HE22 GLN 24 2HE2 GLN 24 6.698 2.495 4.975 158 H GLY 25 H GLY 25 2.847 -2.792 3.848 159 HA2 GLY 25 2HA GLY 25 3.435 -4.779 5.186 160 HA3 GLY 25 1HA GLY 25 2.296 -4.182 6.397 161 H ASN 26 H ASN 26 0.515 -3.201 4.239 162 HA ASN 26 HA ASN 26 -0.440 -5.777 3.171 163 HB2 ASN 26 2HB ASN 26 -2.021 -3.301 3.891 164 HB3 ASN 26 1HB ASN 26 -2.688 -4.675 3.018 165 HD21 ASN 26 1HD2 ASN 26 -3.576 -3.635 5.516 166 HD22 ASN 26 2HD2 ASN 26 -3.374 -4.888 6.701 167 H LYS 27 H LYS 27 -1.441 -5.689 1.082 168 HA LYS 27 HA LYS 27 -0.754 -3.344 -0.544 169 HB2 LYS 27 2HB LYS 27 0.954 -5.044 -0.983 170 HB3 LYS 27 1HB LYS 27 -0.294 -6.237 -1.318 171 HG2 LYS 27 2HG LYS 27 -0.637 -5.486 -3.401 172 HG3 LYS 27 1HG LYS 27 -0.450 -3.793 -2.935 173 HD2 LYS 27 2HD LYS 27 1.349 -4.357 -4.401 174 HD3 LYS 27 1HD LYS 27 2.002 -4.182 -2.772 175 HE2 LYS 27 2HE LYS 27 3.001 -6.103 -3.808 176 HE3 LYS 27 1HE LYS 27 1.923 -6.645 -2.523 177 HZ1 LYS 27 3HZ LYS 27 1.911 -7.734 -4.897 178 HZ2 LYS 27 1HZ LYS 27 0.832 -6.470 -5.235 179 HZ3 LYS 27 2HZ LYS 27 0.487 -7.580 -3.996 180 H CYS 28 H CYS 28 -2.592 -2.560 -1.312 181 HA CYS 28 HA CYS 28 -4.952 -4.254 -1.340 182 HB2 CYS 28 2HB CYS 28 -5.048 -2.054 -0.258 183 HB3 CYS 28 1HB CYS 28 -4.625 -1.284 -1.782 184 HG CYS 28 HG CYS 28 -7.573 -2.596 -0.791 185 H ILE 29 H ILE 29 -5.884 -5.003 -3.122 186 HA ILE 29 HA ILE 29 -5.035 -3.891 -5.705 187 HB ILE 29 HB ILE 29 -5.497 -6.255 -6.601 188 HG12 ILE 29 2HG1 ILE 29 -4.977 -6.896 -3.695 189 HG13 ILE 29 1HG1 ILE 29 -6.530 -7.087 -4.505 190 HG21 ILE 29 1HG2 ILE 29 -3.081 -5.742 -4.863 191 HG22 ILE 29 2HG2 ILE 29 -3.285 -5.228 -6.537 192 HG23 ILE 29 3HG2 ILE 29 -3.188 -6.944 -6.150 193 HD11 ILE 29 3HD1 ILE 29 -5.397 -9.216 -4.310 194 HD12 ILE 29 1HD1 ILE 29 -3.989 -8.568 -5.153 195 HD13 ILE 29 2HD1 ILE 29 -5.521 -8.748 -6.006 196 H LEU 30 H LEU 30 -6.577 -3.164 -6.902 197 HA LEU 30 HA LEU 30 -9.354 -3.549 -6.272 198 HB2 LEU 30 2HB LEU 30 -7.995 -2.015 -8.499 199 HB3 LEU 30 1HB LEU 30 -9.712 -1.970 -8.145 200 HG LEU 30 HG LEU 30 -7.707 -1.173 -6.067 201 HD11 LEU 30 1HD1 LEU 30 -7.938 1.146 -6.823 202 HD12 LEU 30 2HD1 LEU 30 -8.886 0.600 -8.207 203 HD13 LEU 30 3HD1 LEU 30 -7.189 0.140 -8.063 204 HD21 LEU 30 3HD2 LEU 30 -9.571 0.175 -5.253 205 HD22 LEU 30 1HD2 LEU 30 -10.013 -1.528 -5.369 206 HD23 LEU 30 2HD2 LEU 30 -10.568 -0.387 -6.595 207 H GLY 31 H GLY 31 -10.243 -5.401 -6.907 208 HA2 GLY 31 2HA GLY 31 -9.503 -6.504 -9.530 209 HA3 GLY 31 1HA GLY 31 -10.338 -7.377 -8.249 210 H ARG 32 H ARG 32 -12.447 -7.617 -8.460 211 HA ARG 32 HA ARG 32 -14.174 -5.587 -9.441 212 HB2 ARG 32 2HB ARG 32 -15.000 -6.782 -11.441 213 HB3 ARG 32 1HB ARG 32 -13.325 -6.279 -11.614 214 HG2 ARG 32 2HG ARG 32 -12.624 -8.576 -11.024 215 HG3 ARG 32 1HG ARG 32 -14.323 -9.050 -10.997 216 HD2 ARG 32 2HD ARG 32 -12.846 -7.909 -13.365 217 HD3 ARG 32 1HD ARG 32 -13.254 -9.607 -13.130 218 HE ARG 32 HE ARG 32 -15.641 -8.229 -12.953 219 HH11 ARG 32 1HH1 ARG 32 -13.127 -8.623 -15.362 220 HH12 ARG 32 2HH1 ARG 32 -14.221 -8.474 -16.701 221 HH21 ARG 32 1HH2 ARG 32 -17.068 -7.994 -14.724 222 HH22 ARG 32 2HH2 ARG 32 -16.449 -8.116 -16.346 223 H GLY 33 H GLY 33 -16.445 -6.342 -9.494 224 HA2 GLY 33 2HA GLY 33 -18.213 -7.593 -8.710 225 HA3 GLY 33 1HA GLY 33 -17.113 -8.957 -8.562 226 H ASP 34 H ASP 34 -16.952 -9.704 -6.576 227 HA ASP 34 HA ASP 34 -17.555 -7.944 -4.323 228 HB2 ASP 34 2HB ASP 34 -17.688 -9.927 -2.974 229 HB3 ASP 34 1HB ASP 34 -18.550 -10.252 -4.475 230 H SER 35 H SER 35 -14.936 -8.794 -6.112 231 HA SER 35 HA SER 35 -13.071 -8.446 -3.858 232 HB2 SER 35 2HB SER 35 -12.905 -10.614 -5.121 233 HB3 SER 35 1HB SER 35 -12.497 -9.688 -6.564 234 HG SER 35 HG SER 35 -10.632 -8.980 -5.560 235 H LYS 36 H LYS 36 -14.457 -6.323 -5.138 236 HA LYS 36 HA LYS 36 -12.979 -5.067 -7.176 237 HB2 LYS 36 2HB LYS 36 -14.242 -2.981 -6.404 238 HB3 LYS 36 1HB LYS 36 -15.199 -4.346 -6.946 239 HG2 LYS 36 2HG LYS 36 -16.284 -3.475 -5.038 240 HG3 LYS 36 1HG LYS 36 -15.503 -4.962 -4.516 241 HD2 LYS 36 2HD LYS 36 -13.611 -3.574 -3.657 242 HD3 LYS 36 1HD LYS 36 -14.558 -2.140 -4.049 243 HE2 LYS 36 2HE LYS 36 -15.445 -4.327 -2.172 244 HE3 LYS 36 1HE LYS 36 -14.706 -2.811 -1.663 245 HZ1 LYS 36 3HZ LYS 36 -16.573 -1.653 -2.768 246 HZ2 LYS 36 1HZ LYS 36 -17.061 -2.626 -1.467 247 HZ3 LYS 36 2HZ LYS 36 -17.302 -3.148 -3.065 248 H ASN 37 H ASN 37 -12.396 -5.313 -3.852 249 HA ASN 37 HA ASN 37 -9.964 -3.801 -4.013 250 HB2 ASN 37 2HB ASN 37 -11.740 -2.141 -3.321 251 HB3 ASN 37 1HB ASN 37 -12.027 -3.138 -1.896 252 HD21 ASN 37 1HD2 ASN 37 -10.126 -0.743 -3.312 253 HD22 ASN 37 2HD2 ASN 37 -8.969 -0.581 -2.049 254 H GLN 38 H GLN 38 -8.458 -4.936 -2.822 255 HA GLN 38 HA GLN 38 -9.368 -6.431 -0.502 256 HB2 GLN 38 2HB GLN 38 -9.482 -7.770 -2.737 257 HB3 GLN 38 1HB GLN 38 -7.751 -7.907 -2.543 258 HG2 GLN 38 2HG GLN 38 -9.806 -8.835 -0.546 259 HG3 GLN 38 1HG GLN 38 -9.017 -9.868 -1.732 260 HE21 GLN 38 1HE2 GLN 38 -8.787 -8.335 1.312 261 HE22 GLN 38 2HE2 GLN 38 -7.220 -8.925 1.748 262 H CYS 39 H CYS 39 -8.001 -6.141 1.036 263 HA CYS 39 HA CYS 39 -5.318 -5.185 0.525 264 HB2 CYS 39 2HB CYS 39 -6.860 -5.589 3.076 265 HB3 CYS 39 1HB CYS 39 -5.234 -4.932 2.996 266 HG CYS 39 HG CYS 39 -5.885 -2.499 2.486 267 H VAL 40 H VAL 40 -4.171 -6.950 -0.228 268 HA VAL 40 HA VAL 40 -4.112 -9.391 1.356 269 HB VAL 40 HB VAL 40 -4.048 -9.265 -1.200 270 HG11 VAL 40 1HG1 VAL 40 -2.350 -7.546 -1.423 271 HG12 VAL 40 2HG1 VAL 40 -1.859 -9.029 -2.242 272 HG13 VAL 40 3HG1 VAL 40 -1.155 -8.609 -0.679 273 HG21 VAL 40 3HG2 VAL 40 -2.550 -11.220 -1.372 274 HG22 VAL 40 1HG2 VAL 40 -3.663 -11.333 -0.008 275 HG23 VAL 40 2HG2 VAL 40 -1.976 -10.897 0.264 276 H THR 41 H THR 41 -1.939 -10.236 2.071 277 HA THR 41 HA THR 41 -0.608 -8.040 3.418 278 HB THR 41 HB THR 41 0.578 -9.949 4.638 279 HG1 THR 41 HG1 THR 41 -1.179 -11.829 4.386 280 HG21 THR 41 3HG2 THR 41 -2.428 -9.713 4.821 281 HG22 THR 41 1HG2 THR 41 -1.257 -8.657 5.610 282 HG23 THR 41 2HG2 THR 41 -1.371 -10.355 6.079 283 H GLY 42 H GLY 42 1.272 -7.248 2.884 284 HA2 GLY 42 2HA GLY 42 3.515 -8.590 1.947 285 HA3 GLY 42 1HA GLY 42 2.631 -8.036 0.530 286 H GLU 43 H GLU 43 3.506 -6.209 -0.231 287 HA GLU 43 HA GLU 43 3.575 -3.959 1.587 288 HB2 GLU 43 2HB GLU 43 5.811 -3.218 0.881 289 HB3 GLU 43 1HB GLU 43 5.855 -4.724 1.780 290 HG2 GLU 43 2HG GLU 43 6.138 -5.970 -0.289 291 HG3 GLU 43 1HG GLU 43 6.059 -4.467 -1.212 292 H GLY 44 H GLY 44 2.644 -2.307 0.676 293 HA2 GLY 44 2HA GLY 44 2.318 -2.349 -2.248 294 HA3 GLY 44 1HA GLY 44 1.189 -1.617 -1.119 295 H THR 45 H THR 45 1.197 0.394 -1.993 296 HA THR 45 HA THR 45 3.607 1.977 -1.567 297 HB THR 45 HB THR 45 2.363 2.865 -3.996 298 HG1 THR 45 HG1 THR 45 1.923 0.431 -3.959 299 HG21 THR 45 3HG2 THR 45 4.652 3.384 -3.339 300 HG22 THR 45 1HG2 THR 45 4.633 2.558 -4.898 301 HG23 THR 45 2HG2 THR 45 5.085 1.677 -3.438 302 HA PRO 46 HA PRO 46 0.676 4.933 0.065 303 HB2 PRO 46 2HB PRO 46 2.627 6.901 -1.014 304 HB3 PRO 46 1HB PRO 46 1.967 6.755 0.618 305 HG2 PRO 46 2HG PRO 46 4.466 6.006 0.108 306 HG3 PRO 46 1HG PRO 46 3.445 5.050 1.199 307 HD2 PRO 46 2HD PRO 46 4.190 4.521 -1.649 308 HD3 PRO 46 1HD PRO 46 4.044 3.386 -0.290 309 H LYS 47 H LYS 47 -0.945 6.263 -0.776 310 HA LYS 47 HA LYS 47 -1.276 5.954 -3.644 311 HB2 LYS 47 2HB LYS 47 -3.026 5.424 -1.811 312 HB3 LYS 47 1HB LYS 47 -3.294 7.163 -1.780 313 HG2 LYS 47 2HG LYS 47 -3.495 6.792 -4.393 314 HG3 LYS 47 1HG LYS 47 -3.947 5.174 -3.865 315 HD2 LYS 47 2HD LYS 47 -6.015 6.060 -3.735 316 HD3 LYS 47 1HD LYS 47 -5.440 6.680 -2.187 317 HE2 LYS 47 2HE LYS 47 -5.339 8.172 -4.811 318 HE3 LYS 47 1HE LYS 47 -6.552 8.406 -3.555 319 HZ1 LYS 47 3HZ LYS 47 -4.812 9.131 -2.052 320 HZ2 LYS 47 1HZ LYS 47 -4.815 10.078 -3.451 321 HZ3 LYS 47 2HZ LYS 47 -3.635 8.889 -3.241 322 HA PRO 48 HA PRO 48 0.008 10.269 -4.047 323 HB2 PRO 48 2HB PRO 48 -0.041 9.752 -6.909 324 HB3 PRO 48 1HB PRO 48 1.343 10.105 -5.872 325 HG2 PRO 48 2HG PRO 48 0.921 7.677 -7.028 326 HG3 PRO 48 1HG PRO 48 1.791 7.896 -5.501 327 HD2 PRO 48 2HD PRO 48 -1.026 7.014 -5.968 328 HD3 PRO 48 1HD PRO 48 0.155 6.437 -4.773 329 H GLN 49 H GLN 49 -0.773 12.084 -5.373 330 HA GLN 49 HA GLN 49 -3.378 11.824 -6.592 331 HB2 GLN 49 2HB GLN 49 -4.259 13.649 -4.954 332 HB3 GLN 49 1HB GLN 49 -4.293 11.957 -4.486 333 HG2 GLN 49 2HG GLN 49 -2.238 12.252 -3.228 334 HG3 GLN 49 1HG GLN 49 -2.191 13.950 -3.681 335 HE21 GLN 49 1HE2 GLN 49 -2.298 12.784 -1.043 336 HE22 GLN 49 2HE2 GLN 49 -3.730 13.395 -0.293 337 H SER 50 H SER 50 -0.718 13.801 -5.504 338 HA SER 50 HA SER 50 -1.426 15.841 -7.502 339 HB2 SER 50 2HB SER 50 -1.011 16.600 -5.147 340 HB3 SER 50 1HB SER 50 0.645 16.012 -5.297 341 HG SER 50 HG SER 50 -0.613 18.194 -6.553 342 H HIS 51 H HIS 51 -0.063 16.293 -9.198 343 HA HIS 51 HA HIS 51 1.856 14.216 -9.836 344 HB2 HIS 51 2HB HIS 51 1.097 16.731 -11.339 345 HB3 HIS 51 1HB HIS 51 2.157 15.478 -11.963 346 HD1 HIS 51 HD1 HIS 51 0.942 14.224 -13.711 347 HD2 HIS 51 HD2 HIS 51 -1.540 15.202 -10.518 348 HE1 HIS 51 HE1 HIS 51 -1.279 13.170 -14.227 349 HE2 HIS 51 HE2 HIS 51 -2.818 13.986 -12.410 Start of MODEL 13 1 H1 VAL 1 1H VAL 1 -6.408 16.623 6.314 2 H2 VAL 1 2H VAL 1 -5.891 16.434 7.909 3 H3 VAL 1 3H VAL 1 -7.549 16.444 7.556 4 HA VAL 1 HA VAL 1 -5.555 14.374 6.875 5 HB VAL 1 HB VAL 1 -8.167 14.114 8.321 6 HG11 VAL 1 1HG1 VAL 1 -7.277 11.954 9.051 7 HG12 VAL 1 2HG1 VAL 1 -5.817 12.245 8.103 8 HG13 VAL 1 3HG1 VAL 1 -7.373 12.062 7.292 9 HG21 VAL 1 3HG2 VAL 1 -5.410 14.387 9.495 10 HG22 VAL 1 1HG2 VAL 1 -6.860 13.949 10.398 11 HG23 VAL 1 2HG2 VAL 1 -6.735 15.539 9.646 12 H VAL 2 H VAL 2 -5.897 14.741 4.591 13 HA VAL 2 HA VAL 2 -8.547 13.906 3.631 14 HB VAL 2 HB VAL 2 -6.343 15.293 2.093 15 HG11 VAL 2 1HG1 VAL 2 -7.755 13.923 0.663 16 HG12 VAL 2 2HG1 VAL 2 -8.061 15.636 0.378 17 HG13 VAL 2 3HG1 VAL 2 -9.198 14.684 1.332 18 HG21 VAL 2 3HG2 VAL 2 -7.758 17.279 2.182 19 HG22 VAL 2 1HG2 VAL 2 -7.304 16.751 3.802 20 HG23 VAL 2 2HG2 VAL 2 -8.922 16.414 3.186 21 H TYR 3 H TYR 3 -8.213 11.666 3.901 22 HA TYR 3 HA TYR 3 -6.232 10.488 2.084 23 HB2 TYR 3 2HB TYR 3 -7.961 9.268 4.241 24 HB3 TYR 3 1HB TYR 3 -7.085 8.290 3.071 25 HD1 TYR 3 HD2 TYR 3 -6.460 11.052 5.522 26 HD2 TYR 3 HD1 TYR 3 -4.974 7.539 3.642 27 HE1 TYR 3 HE2 TYR 3 -4.447 11.151 6.933 28 HE2 TYR 3 HE1 TYR 3 -2.957 7.633 5.042 29 HH TYR 3 HH TYR 3 -1.660 9.421 6.304 30 H THR 4 H THR 4 -7.061 8.659 0.723 31 HA THR 4 HA THR 4 -9.761 9.215 -0.255 32 HB THR 4 HB THR 4 -8.799 8.939 -2.608 33 HG1 THR 4 HG1 THR 4 -6.380 9.862 -1.468 34 HG21 THR 4 3HG2 THR 4 -9.616 11.086 -1.757 35 HG22 THR 4 1HG2 THR 4 -8.205 11.305 -2.793 36 HG23 THR 4 2HG2 THR 4 -8.036 11.406 -1.041 37 H ASP 5 H ASP 5 -10.239 7.490 -2.071 38 HA ASP 5 HA ASP 5 -9.731 4.908 -0.832 39 HB2 ASP 5 2HB ASP 5 -11.450 5.684 -3.208 40 HB3 ASP 5 1HB ASP 5 -11.363 4.070 -2.517 41 H CYS 6 H CYS 6 -8.879 3.125 -2.040 42 HA CYS 6 HA CYS 6 -6.549 3.761 -3.456 43 HB2 CYS 6 2HB CYS 6 -7.993 1.133 -3.662 44 HB3 CYS 6 1HB CYS 6 -6.263 1.442 -3.782 45 HG CYS 6 HG CYS 6 -5.712 1.506 -1.215 46 H THR 7 H THR 7 -6.106 4.038 -5.563 47 HA THR 7 HA THR 7 -8.396 3.804 -7.409 48 HB THR 7 HB THR 7 -6.014 5.653 -7.582 49 HG1 THR 7 HG1 THR 7 -8.700 6.080 -6.726 50 HG21 THR 7 3HG2 THR 7 -6.965 5.139 -9.783 51 HG22 THR 7 1HG2 THR 7 -7.314 6.807 -9.328 52 HG23 THR 7 2HG2 THR 7 -8.571 5.576 -9.199 53 H GLU 8 H GLU 8 -5.360 2.628 -6.616 54 HA GLU 8 HA GLU 8 -5.034 1.387 -9.249 55 HB2 GLU 8 2HB GLU 8 -2.966 2.849 -7.626 56 HB3 GLU 8 1HB GLU 8 -2.533 1.742 -8.907 57 HG2 GLU 8 2HG GLU 8 -3.705 3.112 -10.528 58 HG3 GLU 8 1HG GLU 8 -4.257 4.185 -9.243 59 H SER 9 H SER 9 -3.900 -0.612 -9.212 60 HA SER 9 HA SER 9 -4.356 -2.022 -6.707 61 HB2 SER 9 2HB SER 9 -3.494 -3.116 -9.403 62 HB3 SER 9 1HB SER 9 -4.056 -4.058 -8.018 63 HG SER 9 HG SER 9 -5.537 -2.207 -9.573 64 H GLY 10 H GLY 10 -2.785 -2.547 -5.326 65 HA2 GLY 10 2HA GLY 10 -0.500 -3.273 -4.918 66 HA3 GLY 10 1HA GLY 10 0.005 -2.261 -6.267 67 H GLN 11 H GLN 11 -2.275 -0.502 -4.852 68 HA GLN 11 HA GLN 11 -0.357 1.075 -3.328 69 HB2 GLN 11 2HB GLN 11 -2.845 1.600 -4.738 70 HB3 GLN 11 1HB GLN 11 -2.867 2.289 -3.113 71 HG2 GLN 11 2HG GLN 11 -1.718 3.986 -3.901 72 HG3 GLN 11 1HG GLN 11 -0.352 2.912 -4.142 73 HE21 GLN 11 1HE2 GLN 11 -2.967 4.636 -5.593 74 HE22 GLN 11 2HE2 GLN 11 -2.432 4.462 -7.233 75 H ASN 12 H ASN 12 -1.051 1.912 -1.144 76 HA ASN 12 HA ASN 12 -2.790 0.005 0.227 77 HB2 ASN 12 2HB ASN 12 -1.094 0.075 2.171 78 HB3 ASN 12 1HB ASN 12 -0.830 -1.016 0.825 79 HD21 ASN 12 1HD2 ASN 12 1.329 -1.156 1.287 80 HD22 ASN 12 2HD2 ASN 12 2.440 0.120 0.920 81 H LEU 13 H LEU 13 -0.842 2.898 0.888 82 HA LEU 13 HA LEU 13 -2.322 3.794 3.087 83 HB2 LEU 13 2HB LEU 13 -0.509 5.221 1.165 84 HB3 LEU 13 1HB LEU 13 -1.252 6.041 2.526 85 HG LEU 13 HG LEU 13 0.485 3.595 2.829 86 HD11 LEU 13 1HD1 LEU 13 1.220 6.512 2.995 87 HD12 LEU 13 2HD1 LEU 13 1.840 5.321 1.853 88 HD13 LEU 13 3HD1 LEU 13 2.235 5.188 3.565 89 HD21 LEU 13 3HD2 LEU 13 -1.083 4.092 4.670 90 HD22 LEU 13 1HD2 LEU 13 -0.374 5.699 4.813 91 HD23 LEU 13 2HD2 LEU 13 0.605 4.270 5.151 92 H CYS 14 H CYS 14 -4.369 3.221 1.894 93 HA CYS 14 HA CYS 14 -5.792 5.679 1.385 94 HB2 CYS 14 2HB CYS 14 -6.826 4.361 -0.720 95 HB3 CYS 14 1HB CYS 14 -5.462 5.468 -0.869 96 HG CYS 14 HG CYS 14 -4.289 2.524 -0.110 97 H LEU 15 H LEU 15 -8.246 5.048 0.997 98 HA LEU 15 HA LEU 15 -8.923 3.116 3.050 99 HB2 LEU 15 2HB LEU 15 -11.023 4.266 1.269 100 HB3 LEU 15 1HB LEU 15 -11.080 3.929 2.980 101 HG LEU 15 HG LEU 15 -9.619 6.262 1.743 102 HD11 LEU 15 1HD1 LEU 15 -11.431 7.610 2.679 103 HD12 LEU 15 2HD1 LEU 15 -12.251 6.138 3.205 104 HD13 LEU 15 3HD1 LEU 15 -12.035 6.458 1.485 105 HD21 LEU 15 3HD2 LEU 15 -10.227 5.588 4.617 106 HD22 LEU 15 1HD2 LEU 15 -9.451 7.063 4.041 107 HD23 LEU 15 2HD2 LEU 15 -8.642 5.509 3.845 108 H CYS 16 H CYS 16 -8.725 1.048 2.471 109 HA CYS 16 HA CYS 16 -9.480 0.259 -0.220 110 HB2 CYS 16 2HB CYS 16 -7.319 -0.533 0.500 111 HB3 CYS 16 1HB CYS 16 -8.021 -1.226 1.953 112 HG CYS 16 HG CYS 16 -9.279 -3.321 0.765 113 H GLU 17 H GLU 17 -9.799 -1.112 3.005 114 HA GLU 17 HA GLU 17 -12.153 -2.579 2.148 115 HB2 GLU 17 2HB GLU 17 -10.085 -3.011 3.965 116 HB3 GLU 17 1HB GLU 17 -11.570 -2.862 4.906 117 HG2 GLU 17 2HG GLU 17 -10.970 -5.188 4.229 118 HG3 GLU 17 1HG GLU 17 -12.567 -4.658 3.696 119 H GLY 18 H GLY 18 -13.935 -1.592 2.242 120 HA2 GLY 18 2HA GLY 18 -15.598 -0.077 2.750 121 HA3 GLY 18 1HA GLY 18 -15.241 -0.513 4.416 122 H SER 19 H SER 19 -13.890 0.778 5.637 123 HA SER 19 HA SER 19 -13.192 3.404 4.493 124 HB2 SER 19 2HB SER 19 -13.538 4.034 7.039 125 HB3 SER 19 1HB SER 19 -14.905 3.994 5.925 126 HG SER 19 HG SER 19 -15.720 2.509 7.159 127 H ASN 20 H ASN 20 -11.895 0.637 5.521 128 HA ASN 20 HA ASN 20 -10.050 1.463 7.528 129 HB2 ASN 20 2HB ASN 20 -10.164 -0.971 5.742 130 HB3 ASN 20 1HB ASN 20 -8.897 -0.726 6.936 131 HD21 ASN 20 1HD2 ASN 20 -12.107 0.392 7.603 132 HD22 ASN 20 2HD2 ASN 20 -12.520 -0.833 8.750 133 H VAL 21 H VAL 21 -8.245 2.540 7.314 134 HA VAL 21 HA VAL 21 -7.191 3.105 4.664 135 HB VAL 21 HB VAL 21 -5.924 4.027 7.229 136 HG11 VAL 21 1HG1 VAL 21 -5.301 5.966 5.855 137 HG12 VAL 21 2HG1 VAL 21 -6.100 5.220 4.473 138 HG13 VAL 21 3HG1 VAL 21 -4.696 4.444 5.200 139 HG21 VAL 21 3HG2 VAL 21 -8.298 5.307 5.897 140 HG22 VAL 21 1HG2 VAL 21 -7.342 6.034 7.185 141 HG23 VAL 21 2HG2 VAL 21 -8.268 4.563 7.491 142 H CYS 22 H CYS 22 -6.004 1.475 3.850 143 HA CYS 22 HA CYS 22 -4.425 -0.225 5.504 144 HB2 CYS 22 2HB CYS 22 -5.303 -0.275 2.797 145 HB3 CYS 22 1HB CYS 22 -3.547 -0.371 2.788 146 HG CYS 22 HG CYS 22 -5.785 -2.595 3.986 147 H GLY 23 H GLY 23 -2.079 -0.438 5.383 148 HA2 GLY 23 2HA GLY 23 -0.691 2.020 4.570 149 HA3 GLY 23 1HA GLY 23 -0.532 1.458 6.229 150 H GLN 24 H GLN 24 1.637 0.913 6.220 151 HA GLN 24 HA GLN 24 2.670 -0.610 3.983 152 HB2 GLN 24 2HB GLN 24 4.045 0.386 6.484 153 HB3 GLN 24 1HB GLN 24 4.848 -0.447 5.162 154 HG2 GLN 24 2HG GLN 24 3.671 2.304 5.212 155 HG3 GLN 24 1HG GLN 24 5.301 1.796 4.764 156 HE21 GLN 24 1HE2 GLN 24 2.079 2.303 3.707 157 HE22 GLN 24 2HE2 GLN 24 2.337 1.970 2.030 158 H GLY 25 H GLY 25 3.394 -2.662 4.039 159 HA2 GLY 25 2HA GLY 25 3.701 -4.797 5.038 160 HA3 GLY 25 1HA GLY 25 2.743 -4.264 6.418 161 H ASN 26 H ASN 26 1.011 -3.015 4.134 162 HA ASN 26 HA ASN 26 -0.328 -5.495 3.287 163 HB2 ASN 26 2HB ASN 26 -1.589 -2.904 4.194 164 HB3 ASN 26 1HB ASN 26 -2.470 -4.146 3.312 165 HD21 ASN 26 1HD2 ASN 26 -1.082 -3.222 6.332 166 HD22 ASN 26 2HD2 ASN 26 -1.700 -4.543 7.257 167 H LYS 27 H LYS 27 -1.544 -5.279 1.304 168 HA LYS 27 HA LYS 27 -0.857 -3.003 -0.385 169 HB2 LYS 27 2HB LYS 27 0.888 -4.673 -0.826 170 HB3 LYS 27 1HB LYS 27 -0.344 -5.881 -1.168 171 HG2 LYS 27 2HG LYS 27 -0.978 -4.835 -3.163 172 HG3 LYS 27 1HG LYS 27 -0.158 -3.331 -2.733 173 HD2 LYS 27 2HD LYS 27 1.161 -4.461 -4.390 174 HD3 LYS 27 1HD LYS 27 2.007 -4.545 -2.843 175 HE2 LYS 27 2HE LYS 27 2.194 -6.690 -3.821 176 HE3 LYS 27 1HE LYS 27 0.985 -6.833 -2.544 177 HZ1 LYS 27 3HZ LYS 27 0.426 -6.541 -5.453 178 HZ2 LYS 27 1HZ LYS 27 -0.742 -6.666 -4.233 179 HZ3 LYS 27 2HZ LYS 27 0.285 -7.972 -4.545 180 H CYS 28 H CYS 28 -2.729 -2.314 -1.262 181 HA CYS 28 HA CYS 28 -5.017 -4.107 -1.279 182 HB2 CYS 28 2HB CYS 28 -5.471 -1.926 -0.405 183 HB3 CYS 28 1HB CYS 28 -4.730 -1.146 -1.800 184 HG CYS 28 HG CYS 28 -7.740 -2.740 -1.644 185 H ILE 29 H ILE 29 -5.896 -4.971 -3.054 186 HA ILE 29 HA ILE 29 -4.916 -4.026 -5.654 187 HB ILE 29 HB ILE 29 -5.119 -6.452 -6.425 188 HG12 ILE 29 2HG1 ILE 29 -4.825 -6.932 -3.457 189 HG13 ILE 29 1HG1 ILE 29 -6.286 -7.250 -4.386 190 HG21 ILE 29 1HG2 ILE 29 -2.830 -6.963 -5.723 191 HG22 ILE 29 2HG2 ILE 29 -2.921 -5.681 -4.516 192 HG23 ILE 29 3HG2 ILE 29 -2.999 -5.283 -6.232 193 HD11 ILE 29 3HD1 ILE 29 -5.084 -8.914 -5.704 194 HD12 ILE 29 1HD1 ILE 29 -5.038 -9.292 -3.983 195 HD13 ILE 29 2HD1 ILE 29 -3.621 -8.597 -4.771 196 H LEU 30 H LEU 30 -6.467 -3.391 -6.898 197 HA LEU 30 HA LEU 30 -9.214 -3.977 -6.369 198 HB2 LEU 30 2HB LEU 30 -7.846 -2.429 -8.574 199 HB3 LEU 30 1HB LEU 30 -9.583 -2.621 -8.469 200 HG LEU 30 HG LEU 30 -9.437 -1.509 -6.190 201 HD11 LEU 30 1HD1 LEU 30 -7.067 -1.782 -5.772 202 HD12 LEU 30 2HD1 LEU 30 -7.493 -0.071 -5.805 203 HD13 LEU 30 3HD1 LEU 30 -6.686 -0.805 -7.191 204 HD21 LEU 30 3HD2 LEU 30 -10.276 -0.379 -8.186 205 HD22 LEU 30 1HD2 LEU 30 -8.631 0.090 -8.612 206 HD23 LEU 30 2HD2 LEU 30 -9.377 0.727 -7.147 207 H GLY 31 H GLY 31 -9.682 -6.085 -6.754 208 HA2 GLY 31 2HA GLY 31 -8.717 -7.309 -9.222 209 HA3 GLY 31 1HA GLY 31 -9.471 -8.144 -7.867 210 H ARG 32 H ARG 32 -11.401 -8.870 -8.245 211 HA ARG 32 HA ARG 32 -13.282 -7.404 -9.900 212 HB2 ARG 32 2HB ARG 32 -12.351 -10.198 -10.609 213 HB3 ARG 32 1HB ARG 32 -13.754 -9.410 -11.317 214 HG2 ARG 32 2HG ARG 32 -10.920 -8.404 -11.525 215 HG3 ARG 32 1HG ARG 32 -11.768 -9.325 -12.768 216 HD2 ARG 32 2HD ARG 32 -13.263 -7.585 -13.205 217 HD3 ARG 32 1HD ARG 32 -12.909 -6.776 -11.680 218 HE ARG 32 HE ARG 32 -10.552 -6.610 -12.886 219 HH11 ARG 32 1HH1 ARG 32 -13.754 -6.034 -14.187 220 HH12 ARG 32 2HH1 ARG 32 -13.222 -4.768 -15.261 221 HH21 ARG 32 1HH2 ARG 32 -9.862 -4.963 -14.285 222 HH22 ARG 32 2HH2 ARG 32 -11.008 -4.147 -15.304 223 H GLY 33 H GLY 33 -15.457 -8.305 -9.791 224 HA2 GLY 33 2HA GLY 33 -17.214 -9.332 -8.737 225 HA3 GLY 33 1HA GLY 33 -16.074 -10.538 -8.164 226 H ASP 34 H ASP 34 -15.876 -10.700 -6.094 227 HA ASP 34 HA ASP 34 -16.896 -8.612 -4.333 228 HB2 ASP 34 2HB ASP 34 -17.636 -10.820 -3.809 229 HB3 ASP 34 1HB ASP 34 -16.008 -11.471 -3.923 230 H SER 35 H SER 35 -13.963 -9.860 -5.536 231 HA SER 35 HA SER 35 -12.343 -8.706 -3.401 232 HB2 SER 35 2HB SER 35 -11.846 -10.978 -4.358 233 HB3 SER 35 1HB SER 35 -11.460 -10.190 -5.887 234 HG SER 35 HG SER 35 -9.928 -8.904 -4.548 235 H LYS 36 H LYS 36 -13.900 -6.977 -5.090 236 HA LYS 36 HA LYS 36 -12.392 -5.953 -7.233 237 HB2 LYS 36 2HB LYS 36 -13.973 -3.926 -6.963 238 HB3 LYS 36 1HB LYS 36 -14.639 -5.477 -7.439 239 HG2 LYS 36 2HG LYS 36 -16.130 -4.535 -5.873 240 HG3 LYS 36 1HG LYS 36 -15.284 -5.824 -5.031 241 HD2 LYS 36 2HD LYS 36 -15.412 -3.972 -3.546 242 HD3 LYS 36 1HD LYS 36 -13.742 -4.076 -4.103 243 HE2 LYS 36 2HE LYS 36 -14.438 -1.772 -4.116 244 HE3 LYS 36 1HE LYS 36 -14.229 -2.322 -5.777 245 HZ1 LYS 36 3HZ LYS 36 -16.859 -2.249 -4.408 246 HZ2 LYS 36 1HZ LYS 36 -16.559 -2.478 -6.061 247 HZ3 LYS 36 2HZ LYS 36 -16.265 -0.965 -5.347 248 H ASN 37 H ASN 37 -12.280 -5.230 -3.838 249 HA ASN 37 HA ASN 37 -9.928 -3.616 -4.255 250 HB2 ASN 37 2HB ASN 37 -12.057 -2.114 -4.368 251 HB3 ASN 37 1HB ASN 37 -12.139 -2.376 -2.630 252 HD21 ASN 37 1HD2 ASN 37 -10.475 -1.575 -1.326 253 HD22 ASN 37 2HD2 ASN 37 -9.428 -0.315 -1.874 254 H GLN 38 H GLN 38 -8.796 -5.182 -3.010 255 HA GLN 38 HA GLN 38 -9.781 -5.583 -0.244 256 HB2 GLN 38 2HB GLN 38 -10.384 -7.518 -1.626 257 HB3 GLN 38 1HB GLN 38 -8.718 -7.690 -2.154 258 HG2 GLN 38 2HG GLN 38 -9.112 -9.350 -0.517 259 HG3 GLN 38 1HG GLN 38 -8.095 -8.119 0.229 260 HE21 GLN 38 1HE2 GLN 38 -11.518 -7.725 -0.325 261 HE22 GLN 38 2HE2 GLN 38 -11.980 -7.745 1.335 262 H CYS 39 H CYS 39 -8.276 -5.821 1.346 263 HA CYS 39 HA CYS 39 -5.564 -4.984 0.768 264 HB2 CYS 39 2HB CYS 39 -6.971 -5.543 3.374 265 HB3 CYS 39 1HB CYS 39 -5.336 -4.931 3.235 266 HG CYS 39 HG CYS 39 -8.148 -3.289 2.210 267 H VAL 40 H VAL 40 -4.247 -6.584 0.089 268 HA VAL 40 HA VAL 40 -4.246 -9.100 1.591 269 HB VAL 40 HB VAL 40 -4.286 -8.908 -0.984 270 HG11 VAL 40 1HG1 VAL 40 -2.494 -7.344 -1.296 271 HG12 VAL 40 2HG1 VAL 40 -2.054 -8.884 -2.034 272 HG13 VAL 40 3HG1 VAL 40 -1.360 -8.421 -0.481 273 HG21 VAL 40 3HG2 VAL 40 -4.033 -11.012 0.196 274 HG22 VAL 40 1HG2 VAL 40 -2.305 -10.717 0.397 275 HG23 VAL 40 2HG2 VAL 40 -2.975 -10.976 -1.215 276 H THR 41 H THR 41 -2.081 -9.939 2.248 277 HA THR 41 HA THR 41 -0.610 -7.749 3.455 278 HB THR 41 HB THR 41 0.632 -9.731 4.566 279 HG1 THR 41 HG1 THR 41 -1.346 -11.430 4.547 280 HG21 THR 41 3HG2 THR 41 -2.295 -9.235 5.114 281 HG22 THR 41 1HG2 THR 41 -0.947 -8.276 5.727 282 HG23 THR 41 2HG2 THR 41 -1.143 -9.952 6.242 283 H GLY 42 H GLY 42 1.291 -7.060 2.840 284 HA2 GLY 42 2HA GLY 42 3.381 -8.480 1.698 285 HA3 GLY 42 1HA GLY 42 2.412 -7.867 0.367 286 H GLU 43 H GLU 43 3.617 -6.252 -0.443 287 HA GLU 43 HA GLU 43 3.961 -3.950 1.309 288 HB2 GLU 43 2HB GLU 43 6.188 -3.456 0.241 289 HB3 GLU 43 1HB GLU 43 6.170 -4.813 1.352 290 HG2 GLU 43 2HG GLU 43 5.912 -5.221 -1.603 291 HG3 GLU 43 1HG GLU 43 7.483 -5.030 -0.830 292 H GLY 44 H GLY 44 2.762 -2.430 0.465 293 HA2 GLY 44 2HA GLY 44 2.228 -2.467 -2.408 294 HA3 GLY 44 1HA GLY 44 1.272 -1.647 -1.189 295 H THR 45 H THR 45 1.300 0.250 -2.392 296 HA THR 45 HA THR 45 3.794 1.773 -2.138 297 HB THR 45 HB THR 45 2.353 2.700 -4.430 298 HG1 THR 45 HG1 THR 45 2.328 -0.004 -4.160 299 HG21 THR 45 3HG2 THR 45 5.038 1.339 -4.194 300 HG22 THR 45 1HG2 THR 45 4.738 3.065 -4.001 301 HG23 THR 45 2HG2 THR 45 4.482 2.294 -5.568 302 HA PRO 46 HA PRO 46 1.092 4.793 -0.247 303 HB2 PRO 46 2HB PRO 46 3.058 6.716 -1.376 304 HB3 PRO 46 1HB PRO 46 2.495 6.541 0.288 305 HG2 PRO 46 2HG PRO 46 4.927 5.718 -0.418 306 HG3 PRO 46 1HG PRO 46 3.949 4.792 0.737 307 HD2 PRO 46 2HD PRO 46 4.483 4.253 -2.157 308 HD3 PRO 46 1HD PRO 46 4.360 3.113 -0.800 309 H LYS 47 H LYS 47 -0.637 5.881 -1.043 310 HA LYS 47 HA LYS 47 -0.877 6.013 -3.923 311 HB2 LYS 47 2HB LYS 47 -2.653 5.112 -2.279 312 HB3 LYS 47 1HB LYS 47 -2.981 6.801 -1.916 313 HG2 LYS 47 2HG LYS 47 -3.078 6.889 -4.587 314 HG3 LYS 47 1HG LYS 47 -3.593 5.228 -4.312 315 HD2 LYS 47 2HD LYS 47 -5.472 5.871 -3.110 316 HD3 LYS 47 1HD LYS 47 -4.812 7.473 -2.759 317 HE2 LYS 47 2HE LYS 47 -4.958 7.975 -5.193 318 HE3 LYS 47 1HE LYS 47 -5.796 6.444 -5.413 319 HZ1 LYS 47 3HZ LYS 47 -6.777 8.503 -3.531 320 HZ2 LYS 47 1HZ LYS 47 -7.621 7.183 -4.181 321 HZ3 LYS 47 2HZ LYS 47 -7.216 8.505 -5.167 322 HA PRO 48 HA PRO 48 0.422 10.285 -3.643 323 HB2 PRO 48 2HB PRO 48 -0.103 10.333 -6.531 324 HB3 PRO 48 1HB PRO 48 1.411 10.582 -5.657 325 HG2 PRO 48 2HG PRO 48 0.955 8.367 -7.121 326 HG3 PRO 48 1HG PRO 48 1.929 8.341 -5.639 327 HD2 PRO 48 2HD PRO 48 -0.920 7.503 -6.050 328 HD3 PRO 48 1HD PRO 48 0.357 6.725 -5.091 329 H GLN 49 H GLN 49 -0.537 12.218 -3.626 330 HA GLN 49 HA GLN 49 -3.175 12.563 -4.806 331 HB2 GLN 49 2HB GLN 49 -3.820 13.706 -2.545 332 HB3 GLN 49 1HB GLN 49 -4.000 11.967 -2.741 333 HG2 GLN 49 2HG GLN 49 -1.974 11.564 -1.546 334 HG3 GLN 49 1HG GLN 49 -1.606 13.285 -1.484 335 HE21 GLN 49 1HE2 GLN 49 -4.850 12.156 -1.040 336 HE22 GLN 49 2HE2 GLN 49 -4.952 12.486 0.656 337 H SER 50 H SER 50 -0.498 13.988 -3.008 338 HA SER 50 HA SER 50 -1.153 16.642 -3.958 339 HB2 SER 50 2HB SER 50 -0.244 16.143 -1.638 340 HB3 SER 50 1HB SER 50 1.295 15.763 -2.411 341 HG SER 50 HG SER 50 0.691 18.053 -1.594 342 H HIS 51 H HIS 51 0.894 17.895 -4.711 343 HA HIS 51 HA HIS 51 1.702 16.694 -7.216 344 HB2 HIS 51 2HB HIS 51 2.648 19.277 -6.023 345 HB3 HIS 51 1HB HIS 51 2.644 18.836 -7.729 346 HD1 HIS 51 HD1 HIS 51 0.859 20.925 -5.504 347 HD2 HIS 51 HD2 HIS 51 -0.270 18.323 -8.548 348 HE1 HIS 51 HE1 HIS 51 -1.472 21.616 -6.161 349 HE2 HIS 51 HE2 HIS 51 -2.211 19.878 -7.832 Start of MODEL 14 1 H1 VAL 1 1H VAL 1 -2.248 13.602 4.661 2 H2 VAL 1 2H VAL 1 -1.221 13.982 5.955 3 H3 VAL 1 3H VAL 1 -2.799 14.605 5.909 4 HA VAL 1 HA VAL 1 -2.143 11.727 6.071 5 HB VAL 1 HB VAL 1 -2.968 11.871 8.424 6 HG11 VAL 1 1HG1 VAL 1 -0.584 11.744 7.900 7 HG12 VAL 1 2HG1 VAL 1 -0.884 12.700 9.351 8 HG13 VAL 1 3HG1 VAL 1 -0.509 13.505 7.827 9 HG21 VAL 1 3HG2 VAL 1 -2.970 14.047 9.544 10 HG22 VAL 1 1HG2 VAL 1 -4.174 13.989 8.257 11 HG23 VAL 1 2HG2 VAL 1 -2.652 14.844 8.003 12 H VAL 2 H VAL 2 -4.042 13.341 4.433 13 HA VAL 2 HA VAL 2 -6.519 12.041 5.355 14 HB VAL 2 HB VAL 2 -6.259 14.618 3.784 15 HG11 VAL 2 1HG1 VAL 2 -8.684 14.726 3.830 16 HG12 VAL 2 2HG1 VAL 2 -8.758 13.181 4.679 17 HG13 VAL 2 3HG1 VAL 2 -8.158 13.250 3.022 18 HG21 VAL 2 3HG2 VAL 2 -7.306 14.070 6.560 19 HG22 VAL 2 1HG2 VAL 2 -7.358 15.629 5.737 20 HG23 VAL 2 2HG2 VAL 2 -5.805 14.903 6.155 21 H TYR 3 H TYR 3 -7.202 10.482 4.049 22 HA TYR 3 HA TYR 3 -5.983 10.331 1.376 23 HB2 TYR 3 2HB TYR 3 -6.798 8.022 3.155 24 HB3 TYR 3 1HB TYR 3 -5.966 7.911 1.606 25 HD1 TYR 3 HD2 TYR 3 -3.689 9.298 1.511 26 HD2 TYR 3 HD1 TYR 3 -5.531 7.873 5.071 27 HE1 TYR 3 HE2 TYR 3 -1.528 9.420 2.671 28 HE2 TYR 3 HE1 TYR 3 -3.371 7.992 6.239 29 HH TYR 3 HH TYR 3 -0.988 8.004 5.720 30 H THR 4 H THR 4 -7.275 8.545 0.095 31 HA THR 4 HA THR 4 -10.143 8.973 0.338 32 HB THR 4 HB THR 4 -10.063 9.147 -2.281 33 HG1 THR 4 HG1 THR 4 -7.869 10.720 -2.192 34 HG21 THR 4 3HG2 THR 4 -10.047 11.597 -2.125 35 HG22 THR 4 1HG2 THR 4 -9.349 11.488 -0.509 36 HG23 THR 4 2HG2 THR 4 -10.974 10.875 -0.812 37 H ASP 5 H ASP 5 -10.694 7.597 -2.153 38 HA ASP 5 HA ASP 5 -10.306 4.936 -1.070 39 HB2 ASP 5 2HB ASP 5 -11.804 5.802 -3.564 40 HB3 ASP 5 1HB ASP 5 -11.899 4.225 -2.793 41 H CYS 6 H CYS 6 -9.170 3.284 -2.070 42 HA CYS 6 HA CYS 6 -6.871 3.842 -3.464 43 HB2 CYS 6 2HB CYS 6 -8.409 1.260 -3.734 44 HB3 CYS 6 1HB CYS 6 -6.685 1.496 -3.958 45 HG CYS 6 HG CYS 6 -7.117 0.089 -1.589 46 H THR 7 H THR 7 -6.305 4.110 -5.478 47 HA THR 7 HA THR 7 -8.405 4.169 -7.533 48 HB THR 7 HB THR 7 -5.880 5.819 -7.472 49 HG1 THR 7 HG1 THR 7 -8.421 6.820 -6.703 50 HG21 THR 7 3HG2 THR 7 -7.137 7.291 -8.976 51 HG22 THR 7 1HG2 THR 7 -8.515 6.193 -8.897 52 HG23 THR 7 2HG2 THR 7 -7.006 5.662 -9.639 53 H GLU 8 H GLU 8 -5.653 2.632 -6.487 54 HA GLU 8 HA GLU 8 -5.009 1.564 -9.114 55 HB2 GLU 8 2HB GLU 8 -3.112 3.053 -7.319 56 HB3 GLU 8 1HB GLU 8 -2.528 1.877 -8.479 57 HG2 GLU 8 2HG GLU 8 -3.488 3.163 -10.297 58 HG3 GLU 8 1HG GLU 8 -4.164 4.314 -9.145 59 H SER 9 H SER 9 -3.943 -0.425 -9.050 60 HA SER 9 HA SER 9 -4.365 -1.907 -6.581 61 HB2 SER 9 2HB SER 9 -3.454 -2.882 -9.306 62 HB3 SER 9 1HB SER 9 -3.955 -3.893 -7.943 63 HG SER 9 HG SER 9 -5.516 -3.148 -9.776 64 H GLY 10 H GLY 10 -2.780 -2.483 -5.233 65 HA2 GLY 10 2HA GLY 10 -0.489 -3.078 -4.767 66 HA3 GLY 10 1HA GLY 10 0.008 -2.068 -6.122 67 H GLN 11 H GLN 11 -2.398 -0.441 -4.717 68 HA GLN 11 HA GLN 11 -0.591 1.301 -3.245 69 HB2 GLN 11 2HB GLN 11 -2.984 1.665 -4.734 70 HB3 GLN 11 1HB GLN 11 -3.331 2.128 -3.069 71 HG2 GLN 11 2HG GLN 11 -2.380 4.070 -3.470 72 HG3 GLN 11 1HG GLN 11 -0.843 3.241 -3.668 73 HE21 GLN 11 1HE2 GLN 11 -3.470 4.821 -5.231 74 HE22 GLN 11 2HE2 GLN 11 -2.784 4.826 -6.826 75 H ASN 12 H ASN 12 -1.352 2.128 -1.073 76 HA ASN 12 HA ASN 12 -2.995 0.177 0.336 77 HB2 ASN 12 2HB ASN 12 -1.358 0.278 2.277 78 HB3 ASN 12 1HB ASN 12 -0.972 -0.757 0.917 79 HD21 ASN 12 1HD2 ASN 12 1.165 -0.767 1.534 80 HD22 ASN 12 2HD2 ASN 12 2.222 0.575 1.237 81 H LEU 13 H LEU 13 -1.113 3.121 0.989 82 HA LEU 13 HA LEU 13 -2.703 4.081 3.087 83 HB2 LEU 13 2HB LEU 13 -0.853 5.471 1.172 84 HB3 LEU 13 1HB LEU 13 -1.663 6.324 2.473 85 HG LEU 13 HG LEU 13 0.134 3.944 2.927 86 HD11 LEU 13 1HD1 LEU 13 1.827 5.573 3.649 87 HD12 LEU 13 2HD1 LEU 13 0.789 6.885 3.090 88 HD13 LEU 13 3HD1 LEU 13 1.449 5.727 1.934 89 HD21 LEU 13 3HD2 LEU 13 -0.863 6.082 4.806 90 HD22 LEU 13 1HD2 LEU 13 0.143 4.696 5.226 91 HD23 LEU 13 2HD2 LEU 13 -1.520 4.452 4.692 92 H CYS 14 H CYS 14 -4.644 3.367 1.748 93 HA CYS 14 HA CYS 14 -6.154 5.734 1.102 94 HB2 CYS 14 2HB CYS 14 -6.938 4.530 -1.096 95 HB3 CYS 14 1HB CYS 14 -5.437 5.420 -1.103 96 HG CYS 14 HG CYS 14 -5.639 2.034 -0.718 97 H LEU 15 H LEU 15 -8.453 5.296 1.319 98 HA LEU 15 HA LEU 15 -8.978 3.026 3.000 99 HB2 LEU 15 2HB LEU 15 -11.475 3.938 2.465 100 HB3 LEU 15 1HB LEU 15 -10.450 4.533 3.748 101 HG LEU 15 HG LEU 15 -10.241 5.879 1.096 102 HD11 LEU 15 1HD1 LEU 15 -12.141 7.309 1.620 103 HD12 LEU 15 2HD1 LEU 15 -12.497 6.340 3.050 104 HD13 LEU 15 3HD1 LEU 15 -12.658 5.632 1.443 105 HD21 LEU 15 3HD2 LEU 15 -10.194 6.833 3.959 106 HD22 LEU 15 1HD2 LEU 15 -9.900 7.829 2.534 107 HD23 LEU 15 2HD2 LEU 15 -8.786 6.525 2.944 108 H CYS 16 H CYS 16 -8.539 1.281 1.824 109 HA CYS 16 HA CYS 16 -9.492 0.638 -0.727 110 HB2 CYS 16 2HB CYS 16 -7.628 -0.536 0.248 111 HB3 CYS 16 1HB CYS 16 -8.606 -1.066 1.603 112 HG CYS 16 HG CYS 16 -10.305 -2.405 -0.573 113 H GLU 17 H GLU 17 -10.449 -0.993 2.243 114 HA GLU 17 HA GLU 17 -13.096 -1.496 1.158 115 HB2 GLU 17 2HB GLU 17 -11.491 -3.115 2.496 116 HB3 GLU 17 1HB GLU 17 -12.188 -2.339 3.898 117 HG2 GLU 17 2HG GLU 17 -13.856 -3.647 1.767 118 HG3 GLU 17 1HG GLU 17 -13.212 -4.529 3.146 119 H GLY 18 H GLY 18 -14.973 -1.101 2.763 120 HA2 GLY 18 2HA GLY 18 -15.809 1.363 2.714 121 HA3 GLY 18 1HA GLY 18 -16.149 0.402 4.134 122 H SER 19 H SER 19 -14.492 0.565 5.921 123 HA SER 19 HA SER 19 -13.372 3.297 5.956 124 HB2 SER 19 2HB SER 19 -13.608 3.142 8.461 125 HB3 SER 19 1HB SER 19 -15.143 3.121 7.592 126 HG SER 19 HG SER 19 -15.519 1.203 8.354 127 H ASN 20 H ASN 20 -12.336 0.464 5.238 128 HA ASN 20 HA ASN 20 -10.143 0.146 7.087 129 HB2 ASN 20 2HB ASN 20 -10.755 -1.178 4.447 130 HB3 ASN 20 1HB ASN 20 -9.319 -1.524 5.397 131 HD21 ASN 20 1HD2 ASN 20 -12.425 -0.861 6.840 132 HD22 ASN 20 2HD2 ASN 20 -12.718 -2.462 7.403 133 H VAL 21 H VAL 21 -9.035 2.031 7.028 134 HA VAL 21 HA VAL 21 -7.958 2.996 4.504 135 HB VAL 21 HB VAL 21 -7.392 4.009 7.304 136 HG11 VAL 21 1HG1 VAL 21 -5.708 4.646 5.653 137 HG12 VAL 21 2HG1 VAL 21 -6.645 6.045 6.177 138 HG13 VAL 21 3HG1 VAL 21 -6.968 5.302 4.609 139 HG21 VAL 21 3HG2 VAL 21 -9.779 4.170 6.802 140 HG22 VAL 21 1HG2 VAL 21 -9.411 5.023 5.302 141 HG23 VAL 21 2HG2 VAL 21 -9.028 5.764 6.856 142 H CYS 22 H CYS 22 -6.490 1.595 3.777 143 HA CYS 22 HA CYS 22 -4.867 0.057 5.555 144 HB2 CYS 22 2HB CYS 22 -5.737 -0.142 2.867 145 HB3 CYS 22 1HB CYS 22 -3.977 -0.127 2.837 146 HG CYS 22 HG CYS 22 -5.348 -2.748 2.931 147 H GLY 23 H GLY 23 -2.539 -0.057 5.420 148 HA2 GLY 23 2HA GLY 23 -1.226 2.402 4.516 149 HA3 GLY 23 1HA GLY 23 -1.055 1.920 6.200 150 H GLN 24 H GLN 24 1.128 1.470 6.176 151 HA GLN 24 HA GLN 24 2.197 -0.123 4.001 152 HB2 GLN 24 2HB GLN 24 3.409 1.883 4.877 153 HB3 GLN 24 1HB GLN 24 3.648 1.021 6.391 154 HG2 GLN 24 2HG GLN 24 5.079 -0.552 5.396 155 HG3 GLN 24 1HG GLN 24 4.596 -0.083 3.767 156 HE21 GLN 24 1HE2 GLN 24 5.411 1.795 2.871 157 HE22 GLN 24 2HE2 GLN 24 6.793 2.611 3.521 158 H GLY 25 H GLY 25 2.920 -2.163 4.170 159 HA2 GLY 25 2HA GLY 25 3.377 -4.180 5.383 160 HA3 GLY 25 1HA GLY 25 2.341 -3.588 6.683 161 H ASN 26 H ASN 26 0.575 -2.588 4.371 162 HA ASN 26 HA ASN 26 -0.555 -5.175 3.537 163 HB2 ASN 26 2HB ASN 26 -2.022 -2.632 4.263 164 HB3 ASN 26 1HB ASN 26 -2.775 -4.007 3.462 165 HD21 ASN 26 1HD2 ASN 26 -1.488 -2.760 6.423 166 HD22 ASN 26 2HD2 ASN 26 -2.064 -4.036 7.446 167 H LYS 27 H LYS 27 -1.827 -4.981 1.514 168 HA LYS 27 HA LYS 27 -1.117 -2.750 -0.212 169 HB2 LYS 27 2HB LYS 27 0.737 -4.287 -0.547 170 HB3 LYS 27 1HB LYS 27 -0.374 -5.619 -0.818 171 HG2 LYS 27 2HG LYS 27 -1.004 -4.828 -2.917 172 HG3 LYS 27 1HG LYS 27 -0.403 -3.202 -2.584 173 HD2 LYS 27 2HD LYS 27 1.067 -4.396 -4.134 174 HD3 LYS 27 1HD LYS 27 1.889 -4.023 -2.616 175 HE2 LYS 27 2HE LYS 27 2.452 -6.267 -3.289 176 HE3 LYS 27 1HE LYS 27 1.434 -6.333 -1.852 177 HZ1 LYS 27 3HZ LYS 27 0.571 -6.830 -4.655 178 HZ2 LYS 27 1HZ LYS 27 -0.464 -6.806 -3.318 179 HZ3 LYS 27 2HZ LYS 27 0.734 -7.986 -3.424 180 H CYS 28 H CYS 28 -3.003 -2.181 -1.163 181 HA CYS 28 HA CYS 28 -5.161 -4.127 -1.291 182 HB2 CYS 28 2HB CYS 28 -5.837 -1.986 -0.456 183 HB3 CYS 28 1HB CYS 28 -5.056 -1.150 -1.791 184 HG CYS 28 HG CYS 28 -7.979 -2.888 -1.828 185 H ILE 29 H ILE 29 -5.855 -5.059 -3.130 186 HA ILE 29 HA ILE 29 -4.759 -4.038 -5.654 187 HB ILE 29 HB ILE 29 -4.684 -6.459 -6.434 188 HG12 ILE 29 2HG1 ILE 29 -4.675 -6.934 -3.445 189 HG13 ILE 29 1HG1 ILE 29 -5.967 -7.400 -4.548 190 HG21 ILE 29 1HG2 ILE 29 -2.747 -5.518 -4.323 191 HG22 ILE 29 2HG2 ILE 29 -2.689 -5.139 -6.045 192 HG23 ILE 29 3HG2 ILE 29 -2.436 -6.795 -5.497 193 HD11 ILE 29 3HD1 ILE 29 -3.146 -8.449 -4.583 194 HD12 ILE 29 1HD1 ILE 29 -4.435 -8.920 -5.691 195 HD13 ILE 29 2HD1 ILE 29 -4.567 -9.297 -3.973 196 H LEU 30 H LEU 30 -6.281 -3.495 -6.984 197 HA LEU 30 HA LEU 30 -8.979 -4.450 -6.615 198 HB2 LEU 30 2HB LEU 30 -7.804 -2.393 -8.499 199 HB3 LEU 30 1HB LEU 30 -9.502 -2.826 -8.461 200 HG LEU 30 HG LEU 30 -9.454 -2.098 -5.999 201 HD11 LEU 30 1HD1 LEU 30 -6.923 -0.771 -6.946 202 HD12 LEU 30 2HD1 LEU 30 -7.046 -2.017 -5.705 203 HD13 LEU 30 3HD1 LEU 30 -7.762 -0.427 -5.434 204 HD21 LEU 30 3HD2 LEU 30 -9.837 0.224 -6.597 205 HD22 LEU 30 1HD2 LEU 30 -10.560 -0.851 -7.795 206 HD23 LEU 30 2HD2 LEU 30 -9.041 -0.029 -8.151 207 H GLY 31 H GLY 31 -9.226 -6.466 -7.396 208 HA2 GLY 31 2HA GLY 31 -8.075 -7.073 -10.036 209 HA3 GLY 31 1HA GLY 31 -8.546 -8.269 -8.836 210 H ARG 32 H ARG 32 -10.365 -9.299 -9.229 211 HA ARG 32 HA ARG 32 -12.607 -7.958 -10.485 212 HB2 ARG 32 2HB ARG 32 -11.169 -10.232 -11.858 213 HB3 ARG 32 1HB ARG 32 -12.812 -9.754 -12.254 214 HG2 ARG 32 2HG ARG 32 -11.950 -7.492 -12.831 215 HG3 ARG 32 1HG ARG 32 -10.314 -8.102 -12.571 216 HD2 ARG 32 2HD ARG 32 -12.311 -9.101 -14.599 217 HD3 ARG 32 1HD ARG 32 -10.854 -8.165 -14.929 218 HE ARG 32 HE ARG 32 -9.707 -10.213 -13.832 219 HH11 ARG 32 1HH1 ARG 32 -12.517 -10.275 -15.935 220 HH12 ARG 32 2HH1 ARG 32 -12.199 -11.887 -16.517 221 HH21 ARG 32 1HH2 ARG 32 -9.294 -12.311 -14.580 222 HH22 ARG 32 2HH2 ARG 32 -10.365 -13.053 -15.730 223 H GLY 33 H GLY 33 -14.543 -9.262 -10.494 224 HA2 GLY 33 2HA GLY 33 -15.973 -10.888 -9.716 225 HA3 GLY 33 1HA GLY 33 -14.571 -11.866 -9.314 226 H ASP 34 H ASP 34 -14.525 -12.369 -7.251 227 HA ASP 34 HA ASP 34 -15.796 -10.644 -5.285 228 HB2 ASP 34 2HB ASP 34 -15.430 -12.473 -3.713 229 HB3 ASP 34 1HB ASP 34 -16.141 -13.107 -5.193 230 H SER 35 H SER 35 -12.881 -10.777 -6.749 231 HA SER 35 HA SER 35 -11.449 -9.765 -4.381 232 HB2 SER 35 2HB SER 35 -10.629 -11.976 -5.329 233 HB3 SER 35 1HB SER 35 -10.191 -11.101 -6.789 234 HG SER 35 HG SER 35 -9.096 -10.903 -4.191 235 H LYS 36 H LYS 36 -12.835 -7.872 -5.533 236 HA LYS 36 HA LYS 36 -11.177 -6.688 -7.633 237 HB2 LYS 36 2HB LYS 36 -13.149 -5.052 -7.837 238 HB3 LYS 36 1HB LYS 36 -13.359 -6.690 -8.430 239 HG2 LYS 36 2HG LYS 36 -15.348 -6.150 -7.320 240 HG3 LYS 36 1HG LYS 36 -14.472 -7.216 -6.225 241 HD2 LYS 36 2HD LYS 36 -15.446 -5.398 -4.981 242 HD3 LYS 36 1HD LYS 36 -13.692 -5.231 -4.977 243 HE2 LYS 36 2HE LYS 36 -14.741 -3.077 -5.330 244 HE3 LYS 36 1HE LYS 36 -13.859 -3.570 -6.774 245 HZ1 LYS 36 3HZ LYS 36 -15.806 -3.982 -7.925 246 HZ2 LYS 36 1HZ LYS 36 -16.194 -2.593 -7.036 247 HZ3 LYS 36 2HZ LYS 36 -16.755 -4.116 -6.524 248 H ASN 37 H ASN 37 -11.879 -6.395 -4.328 249 HA ASN 37 HA ASN 37 -10.126 -4.118 -4.088 250 HB2 ASN 37 2HB ASN 37 -12.319 -3.050 -4.435 251 HB3 ASN 37 1HB ASN 37 -12.996 -3.996 -3.115 252 HD21 ASN 37 1HD2 ASN 37 -10.912 -1.375 -3.989 253 HD22 ASN 37 2HD2 ASN 37 -10.786 -0.694 -2.412 254 H GLN 38 H GLN 38 -8.754 -5.469 -2.852 255 HA GLN 38 HA GLN 38 -9.771 -5.986 -0.161 256 HB2 GLN 38 2HB GLN 38 -10.172 -8.056 -1.467 257 HB3 GLN 38 1HB GLN 38 -8.450 -8.155 -1.799 258 HG2 GLN 38 2HG GLN 38 -9.116 -9.664 -0.009 259 HG3 GLN 38 1HG GLN 38 -7.983 -8.442 0.564 260 HE21 GLN 38 1HE2 GLN 38 -8.652 -8.761 2.695 261 HE22 GLN 38 2HE2 GLN 38 -10.172 -8.158 3.275 262 H CYS 39 H CYS 39 -8.262 -5.915 1.435 263 HA CYS 39 HA CYS 39 -5.635 -4.930 0.707 264 HB2 CYS 39 2HB CYS 39 -7.048 -5.178 3.353 265 HB3 CYS 39 1HB CYS 39 -5.424 -4.540 3.165 266 HG CYS 39 HG CYS 39 -7.824 -3.068 1.309 267 H VAL 40 H VAL 40 -4.405 -6.641 0.067 268 HA VAL 40 HA VAL 40 -4.230 -9.013 1.735 269 HB VAL 40 HB VAL 40 -4.222 -8.980 -0.819 270 HG11 VAL 40 1HG1 VAL 40 -1.362 -8.151 -0.383 271 HG12 VAL 40 2HG1 VAL 40 -2.622 -7.203 -1.171 272 HG13 VAL 40 3HG1 VAL 40 -2.052 -8.700 -1.909 273 HG21 VAL 40 3HG2 VAL 40 -3.713 -10.992 0.412 274 HG22 VAL 40 1HG2 VAL 40 -2.049 -10.464 0.655 275 HG23 VAL 40 2HG2 VAL 40 -2.621 -10.859 -0.966 276 H THR 41 H THR 41 -2.039 -9.757 2.445 277 HA THR 41 HA THR 41 -0.724 -7.504 3.713 278 HB THR 41 HB THR 41 0.560 -9.293 4.937 279 HG1 THR 41 HG1 THR 41 0.406 -11.055 3.589 280 HG21 THR 41 3HG2 THR 41 -1.431 -8.258 5.899 281 HG22 THR 41 1HG2 THR 41 -1.343 -9.964 6.335 282 HG23 THR 41 2HG2 THR 41 -2.454 -9.432 5.072 283 H GLY 42 H GLY 42 1.166 -6.702 3.198 284 HA2 GLY 42 2HA GLY 42 3.403 -7.934 2.207 285 HA3 GLY 42 1HA GLY 42 2.463 -7.513 0.783 286 H GLU 43 H GLU 43 3.536 -5.831 -0.082 287 HA GLU 43 HA GLU 43 3.813 -3.446 1.597 288 HB2 GLU 43 2HB GLU 43 5.952 -4.537 -0.247 289 HB3 GLU 43 1HB GLU 43 6.008 -2.958 0.526 290 HG2 GLU 43 2HG GLU 43 6.101 -3.965 2.703 291 HG3 GLU 43 1HG GLU 43 5.858 -5.569 2.015 292 H GLY 44 H GLY 44 2.444 -2.066 0.720 293 HA2 GLY 44 2HA GLY 44 2.000 -2.087 -2.165 294 HA3 GLY 44 1HA GLY 44 0.990 -1.303 -0.967 295 H THR 45 H THR 45 0.960 0.652 -2.015 296 HA THR 45 HA THR 45 3.361 2.278 -1.674 297 HB THR 45 HB THR 45 2.102 3.071 -4.127 298 HG1 THR 45 HG1 THR 45 1.889 0.512 -3.877 299 HG21 THR 45 3HG2 THR 45 4.837 1.912 -3.584 300 HG22 THR 45 1HG2 THR 45 4.396 3.614 -3.452 301 HG23 THR 45 2HG2 THR 45 4.361 2.814 -5.024 302 HA PRO 46 HA PRO 46 0.381 5.252 -0.159 303 HB2 PRO 46 2HB PRO 46 2.234 7.262 -1.323 304 HB3 PRO 46 1HB PRO 46 1.637 7.112 0.331 305 HG2 PRO 46 2HG PRO 46 4.143 6.461 -0.268 306 HG3 PRO 46 1HG PRO 46 3.207 5.496 0.889 307 HD2 PRO 46 2HD PRO 46 3.848 4.918 -1.979 308 HD3 PRO 46 1HD PRO 46 3.822 3.815 -0.587 309 H LYS 47 H LYS 47 -1.160 6.778 -0.989 310 HA LYS 47 HA LYS 47 -1.633 6.417 -3.817 311 HB2 LYS 47 2HB LYS 47 -3.225 7.150 -1.457 312 HB3 LYS 47 1HB LYS 47 -3.661 7.990 -2.928 313 HG2 LYS 47 2HG LYS 47 -3.351 5.271 -3.593 314 HG3 LYS 47 1HG LYS 47 -4.299 5.348 -2.117 315 HD2 LYS 47 2HD LYS 47 -4.915 6.718 -4.715 316 HD3 LYS 47 1HD LYS 47 -5.773 5.371 -4.018 317 HE2 LYS 47 2HE LYS 47 -6.726 6.667 -2.365 318 HE3 LYS 47 1HE LYS 47 -5.547 7.962 -2.537 319 HZ1 LYS 47 3HZ LYS 47 -7.685 7.257 -4.483 320 HZ2 LYS 47 1HZ LYS 47 -6.534 8.487 -4.702 321 HZ3 LYS 47 2HZ LYS 47 -7.675 8.605 -3.455 322 HA PRO 48 HA PRO 48 -0.028 10.417 -4.852 323 HB2 PRO 48 2HB PRO 48 -1.395 10.130 -7.394 324 HB3 PRO 48 1HB PRO 48 0.335 10.121 -7.056 325 HG2 PRO 48 2HG PRO 48 -1.082 7.920 -7.855 326 HG3 PRO 48 1HG PRO 48 0.416 7.846 -6.914 327 HD2 PRO 48 2HD PRO 48 -2.409 7.495 -6.009 328 HD3 PRO 48 1HD PRO 48 -0.922 6.713 -5.433 329 H GLN 49 H GLN 49 -0.743 12.405 -4.952 330 HA GLN 49 HA GLN 49 -3.606 12.902 -5.324 331 HB2 GLN 49 2HB GLN 49 -3.173 14.751 -3.494 332 HB3 GLN 49 1HB GLN 49 -3.593 13.107 -3.036 333 HG2 GLN 49 2HG GLN 49 -1.225 12.605 -2.710 334 HG3 GLN 49 1HG GLN 49 -0.822 14.265 -3.124 335 HE21 GLN 49 1HE2 GLN 49 -3.221 15.274 -1.706 336 HE22 GLN 49 2HE2 GLN 49 -2.833 15.185 -0.021 337 H SER 50 H SER 50 -0.309 14.102 -5.271 338 HA SER 50 HA SER 50 -1.003 16.366 -6.957 339 HB2 SER 50 2HB SER 50 1.693 15.378 -5.976 340 HB3 SER 50 1HB SER 50 1.408 16.892 -6.838 341 HG SER 50 HG SER 50 0.392 17.725 -5.104 342 H HIS 51 H HIS 51 -1.360 15.992 -9.015 343 HA HIS 51 HA HIS 51 -0.378 13.625 -10.353 344 HB2 HIS 51 2HB HIS 51 -1.813 15.997 -11.554 345 HB3 HIS 51 1HB HIS 51 -1.642 14.402 -12.263 346 HD1 HIS 51 HD1 HIS 51 -3.459 16.173 -9.455 347 HD2 HIS 51 HD2 HIS 51 -3.568 12.575 -11.537 348 HE1 HIS 51 HE1 HIS 51 -5.574 15.028 -8.718 349 HE2 HIS 51 HE2 HIS 51 -5.738 12.985 -10.189 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 -4.522 15.824 7.737 2 H2 VAL 1 2H VAL 1 -4.341 14.982 9.193 3 H3 VAL 1 3H VAL 1 -5.832 14.970 8.384 4 HA VAL 1 HA VAL 1 -3.304 13.802 7.374 5 HB VAL 1 HB VAL 1 -4.420 11.627 7.615 6 HG11 VAL 1 1HG1 VAL 1 -4.285 11.438 10.057 7 HG12 VAL 1 2HG1 VAL 1 -4.276 13.196 10.182 8 HG13 VAL 1 3HG1 VAL 1 -2.940 12.363 9.387 9 HG21 VAL 1 3HG2 VAL 1 -6.738 12.389 7.477 10 HG22 VAL 1 1HG2 VAL 1 -6.584 13.159 9.055 11 HG23 VAL 1 2HG2 VAL 1 -6.473 11.404 8.915 12 H VAL 2 H VAL 2 -3.488 12.719 5.374 13 HA VAL 2 HA VAL 2 -5.872 13.477 3.805 14 HB VAL 2 HB VAL 2 -3.056 13.279 2.715 15 HG11 VAL 2 1HG1 VAL 2 -4.026 14.382 0.746 16 HG12 VAL 2 2HG1 VAL 2 -5.615 14.325 1.508 17 HG13 VAL 2 3HG1 VAL 2 -4.792 12.829 1.076 18 HG21 VAL 2 3HG2 VAL 2 -3.095 15.727 2.569 19 HG22 VAL 2 1HG2 VAL 2 -3.196 15.170 4.240 20 HG23 VAL 2 2HG2 VAL 2 -4.644 15.747 3.414 21 H TYR 3 H TYR 3 -6.977 11.710 3.286 22 HA TYR 3 HA TYR 3 -5.523 9.464 2.110 23 HB2 TYR 3 2HB TYR 3 -7.745 9.107 4.137 24 HB3 TYR 3 1HB TYR 3 -6.989 7.825 3.209 25 HD1 TYR 3 HD1 TYR 3 -4.654 7.164 3.672 26 HD2 TYR 3 HD2 TYR 3 -6.692 9.991 6.116 27 HE1 TYR 3 HE1 TYR 3 -2.968 6.847 5.429 28 HE2 TYR 3 HE2 TYR 3 -5.013 9.672 7.885 29 HH TYR 3 HH TYR 3 -3.391 7.965 8.601 30 H THR 4 H THR 4 -6.795 8.227 0.668 31 HA THR 4 HA THR 4 -9.416 9.248 -0.082 32 HB THR 4 HB THR 4 -8.666 9.164 -2.537 33 HG1 THR 4 HG1 THR 4 -6.100 9.529 -1.325 34 HG21 THR 4 3HG2 THR 4 -9.197 11.269 -1.413 35 HG22 THR 4 1HG2 THR 4 -7.832 11.468 -2.514 36 HG23 THR 4 2HG2 THR 4 -7.553 11.354 -0.775 37 H ASP 5 H ASP 5 -10.014 7.736 -2.232 38 HA ASP 5 HA ASP 5 -9.888 5.030 -1.143 39 HB2 ASP 5 2HB ASP 5 -11.220 5.041 -3.656 40 HB3 ASP 5 1HB ASP 5 -11.939 4.879 -2.059 41 H CYS 6 H CYS 6 -8.915 3.287 -2.186 42 HA CYS 6 HA CYS 6 -6.585 3.807 -3.648 43 HB2 CYS 6 2HB CYS 6 -8.056 1.183 -3.728 44 HB3 CYS 6 1HB CYS 6 -6.323 1.471 -3.851 45 HG CYS 6 HG CYS 6 -6.601 2.624 -1.052 46 H THR 7 H THR 7 -6.093 3.822 -5.797 47 HA THR 7 HA THR 7 -8.364 3.520 -7.643 48 HB THR 7 HB THR 7 -7.447 5.866 -7.240 49 HG1 THR 7 HG1 THR 7 -7.213 5.198 -9.978 50 HG21 THR 7 3HG2 THR 7 -5.071 5.349 -7.271 51 HG22 THR 7 1HG2 THR 7 -5.469 6.504 -8.543 52 HG23 THR 7 2HG2 THR 7 -5.194 4.808 -8.943 53 H GLU 8 H GLU 8 -5.089 2.672 -6.936 54 HA GLU 8 HA GLU 8 -4.909 1.176 -9.453 55 HB2 GLU 8 2HB GLU 8 -3.157 3.164 -8.378 56 HB3 GLU 8 1HB GLU 8 -2.319 1.622 -8.397 57 HG2 GLU 8 2HG GLU 8 -1.841 2.741 -10.412 58 HG3 GLU 8 1HG GLU 8 -2.916 1.405 -10.797 59 H SER 9 H SER 9 -3.649 -0.771 -9.304 60 HA SER 9 HA SER 9 -4.143 -2.119 -6.777 61 HB2 SER 9 2HB SER 9 -3.192 -3.222 -9.440 62 HB3 SER 9 1HB SER 9 -3.703 -4.175 -8.041 63 HG SER 9 HG SER 9 -5.200 -3.054 -9.982 64 H GLY 10 H GLY 10 -2.585 -2.237 -5.314 65 HA2 GLY 10 2HA GLY 10 -0.241 -2.927 -4.903 66 HA3 GLY 10 1HA GLY 10 0.199 -1.893 -6.253 67 H GLN 11 H GLN 11 -2.218 -0.299 -4.749 68 HA GLN 11 HA GLN 11 -0.353 1.374 -3.249 69 HB2 GLN 11 2HB GLN 11 -3.003 1.751 -4.453 70 HB3 GLN 11 1HB GLN 11 -2.857 2.477 -2.853 71 HG2 GLN 11 2HG GLN 11 -1.910 4.214 -3.850 72 HG3 GLN 11 1HG GLN 11 -0.511 3.182 -4.121 73 HE21 GLN 11 1HE2 GLN 11 -3.221 4.740 -5.532 74 HE22 GLN 11 2HE2 GLN 11 -2.805 4.425 -7.181 75 H ASN 12 H ASN 12 -1.287 2.226 -1.047 76 HA ASN 12 HA ASN 12 -2.762 0.147 0.345 77 HB2 ASN 12 2HB ASN 12 -1.059 0.251 2.253 78 HB3 ASN 12 1HB ASN 12 -0.702 -0.746 0.855 79 HD21 ASN 12 1HD2 ASN 12 1.460 -0.692 1.494 80 HD22 ASN 12 2HD2 ASN 12 2.473 0.671 1.161 81 H LEU 13 H LEU 13 -0.952 3.121 0.994 82 HA LEU 13 HA LEU 13 -2.410 3.946 3.239 83 HB2 LEU 13 2HB LEU 13 -0.747 5.481 1.254 84 HB3 LEU 13 1HB LEU 13 -1.439 6.222 2.684 85 HG LEU 13 HG LEU 13 0.412 3.849 2.828 86 HD11 LEU 13 1HD1 LEU 13 1.562 5.696 1.704 87 HD12 LEU 13 2HD1 LEU 13 2.209 5.416 3.321 88 HD13 LEU 13 3HD1 LEU 13 1.122 6.774 3.030 89 HD21 LEU 13 3HD2 LEU 13 -0.345 5.940 4.865 90 HD22 LEU 13 1HD2 LEU 13 0.690 4.540 5.130 91 HD23 LEU 13 2HD2 LEU 13 -1.025 4.315 4.784 92 H CYS 14 H CYS 14 -4.481 3.275 1.955 93 HA CYS 14 HA CYS 14 -5.930 5.728 1.443 94 HB2 CYS 14 2HB CYS 14 -6.868 4.484 -0.716 95 HB3 CYS 14 1HB CYS 14 -5.452 5.522 -0.801 96 HG CYS 14 HG CYS 14 -4.584 2.418 -0.069 97 H LEU 15 H LEU 15 -8.284 5.362 1.449 98 HA LEU 15 HA LEU 15 -9.059 3.139 3.084 99 HB2 LEU 15 2HB LEU 15 -11.431 4.092 2.086 100 HB3 LEU 15 1HB LEU 15 -10.665 4.610 3.571 101 HG LEU 15 HG LEU 15 -9.934 6.033 1.051 102 HD11 LEU 15 1HD1 LEU 15 -11.852 7.525 1.310 103 HD12 LEU 15 2HD1 LEU 15 -12.483 6.495 2.595 104 HD13 LEU 15 3HD1 LEU 15 -12.373 5.879 0.946 105 HD21 LEU 15 3HD2 LEU 15 -9.793 7.926 2.592 106 HD22 LEU 15 1HD2 LEU 15 -8.807 6.575 3.146 107 HD23 LEU 15 2HD2 LEU 15 -10.362 6.902 3.907 108 H CYS 16 H CYS 16 -8.922 1.226 2.251 109 HA CYS 16 HA CYS 16 -9.397 0.755 -0.554 110 HB2 CYS 16 2HB CYS 16 -7.413 -0.219 0.382 111 HB3 CYS 16 1HB CYS 16 -8.330 -0.948 1.687 112 HG CYS 16 HG CYS 16 -7.851 -3.142 0.323 113 H GLU 17 H GLU 17 -10.225 -1.162 2.299 114 HA GLU 17 HA GLU 17 -12.731 -1.988 1.134 115 HB2 GLU 17 2HB GLU 17 -11.308 -3.438 2.642 116 HB3 GLU 17 1HB GLU 17 -11.760 -2.381 3.969 117 HG2 GLU 17 2HG GLU 17 -13.080 -4.459 3.878 118 HG3 GLU 17 1HG GLU 17 -14.059 -2.998 3.774 119 H GLY 18 H GLY 18 -14.776 -1.636 2.266 120 HA2 GLY 18 2HA GLY 18 -16.073 0.502 2.235 121 HA3 GLY 18 1HA GLY 18 -16.147 -0.324 3.775 122 H SER 19 H SER 19 -14.656 0.417 5.472 123 HA SER 19 HA SER 19 -13.888 3.238 5.084 124 HB2 SER 19 2HB SER 19 -14.340 3.445 7.589 125 HB3 SER 19 1HB SER 19 -15.757 3.274 6.551 126 HG SER 19 HG SER 19 -16.037 1.224 7.230 127 H ASN 20 H ASN 20 -12.463 0.483 5.036 128 HA ASN 20 HA ASN 20 -10.573 0.743 7.224 129 HB2 ASN 20 2HB ASN 20 -10.722 -1.191 4.911 130 HB3 ASN 20 1HB ASN 20 -9.447 -1.219 6.118 131 HD21 ASN 20 1HD2 ASN 20 -12.764 -0.439 6.882 132 HD22 ASN 20 2HD2 ASN 20 -13.096 -1.881 7.773 133 H VAL 21 H VAL 21 -9.141 2.339 7.061 134 HA VAL 21 HA VAL 21 -7.980 2.989 4.465 135 HB VAL 21 HB VAL 21 -7.276 4.317 7.079 136 HG11 VAL 21 1HG1 VAL 21 -6.685 6.187 5.633 137 HG12 VAL 21 2HG1 VAL 21 -7.145 5.238 4.219 138 HG13 VAL 21 3HG1 VAL 21 -5.782 4.730 5.218 139 HG21 VAL 21 3HG2 VAL 21 -9.518 5.045 5.197 140 HG22 VAL 21 1HG2 VAL 21 -8.956 6.033 6.546 141 HG23 VAL 21 2HG2 VAL 21 -9.694 4.462 6.851 142 H CYS 22 H CYS 22 -6.426 1.640 3.873 143 HA CYS 22 HA CYS 22 -4.886 0.226 5.848 144 HB2 CYS 22 2HB CYS 22 -5.458 -0.056 2.973 145 HB3 CYS 22 1HB CYS 22 -3.839 -0.543 3.459 146 HG CYS 22 HG CYS 22 -4.499 -2.646 4.938 147 H GLY 23 H GLY 23 -2.522 -0.097 5.427 148 HA2 GLY 23 2HA GLY 23 -1.162 2.286 4.453 149 HA3 GLY 23 1HA GLY 23 -0.925 1.847 6.139 150 H GLN 24 H GLN 24 1.265 1.351 5.964 151 HA GLN 24 HA GLN 24 2.094 -0.381 3.783 152 HB2 GLN 24 2HB GLN 24 3.637 1.135 5.888 153 HB3 GLN 24 1HB GLN 24 4.404 0.014 4.767 154 HG2 GLN 24 2HG GLN 24 3.540 1.330 2.887 155 HG3 GLN 24 1HG GLN 24 2.834 2.471 4.028 156 HE21 GLN 24 1HE2 GLN 24 4.873 2.777 1.926 157 HE22 GLN 24 2HE2 GLN 24 6.233 3.501 2.710 158 H GLY 25 H GLY 25 2.846 -2.413 3.996 159 HA2 GLY 25 2HA GLY 25 3.224 -4.401 5.330 160 HA3 GLY 25 1HA GLY 25 2.148 -3.717 6.550 161 H ASN 26 H ASN 26 0.508 -2.684 4.232 162 HA ASN 26 HA ASN 26 -0.730 -5.207 3.354 163 HB2 ASN 26 2HB ASN 26 -2.003 -2.525 3.920 164 HB3 ASN 26 1HB ASN 26 -2.811 -3.790 3.009 165 HD21 ASN 26 1HD2 ASN 26 -0.749 -4.319 5.812 166 HD22 ASN 26 2HD2 ASN 26 -2.007 -4.898 6.847 167 H LYS 27 H LYS 27 -1.720 -5.093 1.203 168 HA LYS 27 HA LYS 27 -0.934 -2.847 -0.472 169 HB2 LYS 27 2HB LYS 27 0.870 -4.468 -0.791 170 HB3 LYS 27 1HB LYS 27 -0.301 -5.727 -1.157 171 HG2 LYS 27 2HG LYS 27 -0.723 -4.924 -3.250 172 HG3 LYS 27 1HG LYS 27 -0.344 -3.259 -2.809 173 HD2 LYS 27 2HD LYS 27 1.365 -4.071 -4.283 174 HD3 LYS 27 1HD LYS 27 2.048 -3.894 -2.666 175 HE2 LYS 27 2HE LYS 27 2.851 -5.947 -3.552 176 HE3 LYS 27 1HE LYS 27 1.645 -6.344 -2.332 177 HZ1 LYS 27 3HZ LYS 27 0.973 -6.181 -5.211 178 HZ2 LYS 27 1HZ LYS 27 0.091 -6.922 -3.969 179 HZ3 LYS 27 2HZ LYS 27 1.544 -7.610 -4.500 180 H CYS 28 H CYS 28 -2.735 -2.188 -1.455 181 HA CYS 28 HA CYS 28 -5.045 -3.949 -1.559 182 HB2 CYS 28 2HB CYS 28 -5.440 -1.733 -0.694 183 HB3 CYS 28 1HB CYS 28 -4.697 -0.997 -2.108 184 HG CYS 28 HG CYS 28 -7.761 -1.230 -1.680 185 H ILE 29 H ILE 29 -5.869 -4.810 -3.356 186 HA ILE 29 HA ILE 29 -4.805 -3.945 -5.950 187 HB ILE 29 HB ILE 29 -5.019 -6.427 -6.618 188 HG12 ILE 29 2HG1 ILE 29 -4.666 -6.715 -3.632 189 HG13 ILE 29 1HG1 ILE 29 -6.135 -7.119 -4.513 190 HG21 ILE 29 1HG2 ILE 29 -2.795 -5.490 -4.807 191 HG22 ILE 29 2HG2 ILE 29 -2.906 -5.237 -6.548 192 HG23 ILE 29 3HG2 ILE 29 -2.706 -6.867 -5.906 193 HD11 ILE 29 3HD1 ILE 29 -4.832 -9.104 -4.001 194 HD12 ILE 29 1HD1 ILE 29 -3.450 -8.434 -4.869 195 HD13 ILE 29 2HD1 ILE 29 -4.927 -8.843 -5.743 196 H LEU 30 H LEU 30 -6.286 -3.495 -7.365 197 HA LEU 30 HA LEU 30 -9.075 -4.030 -6.808 198 HB2 LEU 30 2HB LEU 30 -7.713 -2.382 -8.943 199 HB3 LEU 30 1HB LEU 30 -9.447 -2.560 -8.810 200 HG LEU 30 HG LEU 30 -9.253 -1.526 -6.502 201 HD11 LEU 30 1HD1 LEU 30 -7.285 -0.143 -6.088 202 HD12 LEU 30 2HD1 LEU 30 -6.504 -0.836 -7.510 203 HD13 LEU 30 3HD1 LEU 30 -6.890 -1.860 -6.126 204 HD21 LEU 30 3HD2 LEU 30 -9.167 0.733 -7.387 205 HD22 LEU 30 1HD2 LEU 30 -10.090 -0.326 -8.451 206 HD23 LEU 30 2HD2 LEU 30 -8.442 0.136 -8.880 207 H GLY 31 H GLY 31 -10.073 -5.720 -7.631 208 HA2 GLY 31 2HA GLY 31 -9.485 -6.518 -10.387 209 HA3 GLY 31 1HA GLY 31 -9.498 -7.749 -9.128 210 H ARG 32 H ARG 32 -11.332 -8.802 -8.935 211 HA ARG 32 HA ARG 32 -13.879 -7.435 -9.227 212 HB2 ARG 32 2HB ARG 32 -13.411 -9.957 -10.813 213 HB3 ARG 32 1HB ARG 32 -14.784 -8.868 -10.896 214 HG2 ARG 32 2HG ARG 32 -13.162 -7.140 -11.807 215 HG3 ARG 32 1HG ARG 32 -12.021 -8.475 -11.992 216 HD2 ARG 32 2HD ARG 32 -14.656 -8.044 -13.360 217 HD3 ARG 32 1HD ARG 32 -13.069 -8.309 -14.075 218 HE ARG 32 HE ARG 32 -14.137 -10.517 -12.515 219 HH11 ARG 32 1HH1 ARG 32 -13.608 -9.126 -15.686 220 HH12 ARG 32 2HH1 ARG 32 -14.052 -10.574 -16.535 221 HH21 ARG 32 1HH2 ARG 32 -14.700 -12.432 -13.624 222 HH22 ARG 32 2HH2 ARG 32 -14.670 -12.456 -15.366 223 H GLY 33 H GLY 33 -15.695 -9.041 -8.750 224 HA2 GLY 33 2HA GLY 33 -16.658 -10.636 -7.417 225 HA3 GLY 33 1HA GLY 33 -15.152 -11.532 -7.548 226 H ASP 34 H ASP 34 -14.160 -11.918 -5.737 227 HA ASP 34 HA ASP 34 -14.886 -10.453 -3.323 228 HB2 ASP 34 2HB ASP 34 -13.023 -12.825 -3.661 229 HB3 ASP 34 1HB ASP 34 -13.640 -12.193 -2.139 230 H SER 35 H SER 35 -12.541 -10.423 -5.723 231 HA SER 35 HA SER 35 -10.513 -9.188 -3.994 232 HB2 SER 35 2HB SER 35 -9.874 -11.162 -5.417 233 HB3 SER 35 1HB SER 35 -10.231 -10.190 -6.842 234 HG SER 35 HG SER 35 -8.653 -8.646 -5.753 235 H LYS 36 H LYS 36 -12.948 -7.878 -4.878 236 HA LYS 36 HA LYS 36 -12.758 -6.295 -7.120 237 HB2 LYS 36 2HB LYS 36 -14.184 -4.663 -5.598 238 HB3 LYS 36 1HB LYS 36 -14.838 -6.179 -6.197 239 HG2 LYS 36 2HG LYS 36 -14.850 -7.155 -4.139 240 HG3 LYS 36 1HG LYS 36 -13.484 -6.220 -3.551 241 HD2 LYS 36 2HD LYS 36 -14.972 -4.209 -3.556 242 HD3 LYS 36 1HD LYS 36 -16.316 -5.288 -3.924 243 HE2 LYS 36 2HE LYS 36 -16.259 -4.829 -1.546 244 HE3 LYS 36 1HE LYS 36 -15.871 -6.523 -1.841 245 HZ1 LYS 36 3HZ LYS 36 -14.428 -5.429 -0.166 246 HZ2 LYS 36 1HZ LYS 36 -13.842 -4.399 -1.376 247 HZ3 LYS 36 2HZ LYS 36 -13.563 -6.071 -1.470 248 H ASN 37 H ASN 37 -11.903 -5.270 -3.846 249 HA ASN 37 HA ASN 37 -9.751 -3.603 -4.738 250 HB2 ASN 37 2HB ASN 37 -11.926 -2.222 -4.927 251 HB3 ASN 37 1HB ASN 37 -12.027 -2.344 -3.177 252 HD21 ASN 37 1HD2 ASN 37 -10.384 -1.335 -1.918 253 HD22 ASN 37 2HD2 ASN 37 -9.485 -0.008 -2.562 254 H GLN 38 H GLN 38 -8.653 -5.213 -3.411 255 HA GLN 38 HA GLN 38 -9.646 -5.381 -0.637 256 HB2 GLN 38 2HB GLN 38 -9.762 -7.332 -2.511 257 HB3 GLN 38 1HB GLN 38 -8.227 -7.705 -1.749 258 HG2 GLN 38 2HG GLN 38 -10.133 -8.922 -0.771 259 HG3 GLN 38 1HG GLN 38 -9.281 -7.911 0.395 260 HE21 GLN 38 1HE2 GLN 38 -10.336 -6.201 1.335 261 HE22 GLN 38 2HE2 GLN 38 -12.031 -5.878 1.112 262 H CYS 39 H CYS 39 -8.178 -5.765 1.021 263 HA CYS 39 HA CYS 39 -5.488 -4.786 0.492 264 HB2 CYS 39 2HB CYS 39 -6.986 -5.218 3.066 265 HB3 CYS 39 1HB CYS 39 -5.360 -4.570 2.953 266 HG CYS 39 HG CYS 39 -6.976 -2.423 3.494 267 H VAL 40 H VAL 40 -4.322 -6.520 -0.232 268 HA VAL 40 HA VAL 40 -4.294 -8.959 1.359 269 HB VAL 40 HB VAL 40 -4.163 -8.762 -1.238 270 HG11 VAL 40 1HG1 VAL 40 -1.271 -8.343 -0.515 271 HG12 VAL 40 2HG1 VAL 40 -2.318 -7.213 -1.374 272 HG13 VAL 40 3HG1 VAL 40 -1.872 -8.747 -2.123 273 HG21 VAL 40 3HG2 VAL 40 -2.848 -10.844 -1.355 274 HG22 VAL 40 1HG2 VAL 40 -4.051 -10.867 -0.066 275 HG23 VAL 40 2HG2 VAL 40 -2.351 -10.600 0.318 276 H THR 41 H THR 41 -2.084 -9.781 2.074 277 HA THR 41 HA THR 41 -0.802 -7.555 3.418 278 HB THR 41 HB THR 41 0.462 -9.440 4.604 279 HG1 THR 41 HG1 THR 41 -0.868 -11.447 4.513 280 HG21 THR 41 3HG2 THR 41 -2.534 -9.175 4.858 281 HG22 THR 41 1HG2 THR 41 -1.317 -8.192 5.671 282 HG23 THR 41 2HG2 THR 41 -1.480 -9.902 6.070 283 H GLY 42 H GLY 42 1.038 -6.721 2.934 284 HA2 GLY 42 2HA GLY 42 3.345 -7.961 2.018 285 HA3 GLY 42 1HA GLY 42 2.464 -7.436 0.585 286 H GLU 43 H GLU 43 3.624 -5.692 -0.100 287 HA GLU 43 HA GLU 43 3.437 -3.366 1.645 288 HB2 GLU 43 2HB GLU 43 6.026 -4.258 0.372 289 HB3 GLU 43 1HB GLU 43 5.755 -2.632 0.987 290 HG2 GLU 43 2HG GLU 43 5.087 -3.910 3.177 291 HG3 GLU 43 1HG GLU 43 6.066 -5.194 2.470 292 H GLY 44 H GLY 44 2.254 -2.012 0.563 293 HA2 GLY 44 2HA GLY 44 2.171 -2.098 -2.332 294 HA3 GLY 44 1HA GLY 44 1.081 -1.215 -1.283 295 H THR 45 H THR 45 1.161 0.781 -2.107 296 HA THR 45 HA THR 45 3.658 2.270 -1.896 297 HB THR 45 HB THR 45 2.344 3.127 -4.295 298 HG1 THR 45 HG1 THR 45 2.074 0.543 -4.009 299 HG21 THR 45 3HG2 THR 45 4.567 2.652 -5.292 300 HG22 THR 45 1HG2 THR 45 5.044 1.877 -3.780 301 HG23 THR 45 2HG2 THR 45 4.662 3.600 -3.809 302 HA PRO 46 HA PRO 46 0.922 5.459 -0.356 303 HB2 PRO 46 2HB PRO 46 2.751 7.353 -1.719 304 HB3 PRO 46 1HB PRO 46 2.276 7.278 -0.019 305 HG2 PRO 46 2HG PRO 46 4.714 6.517 -0.801 306 HG3 PRO 46 1HG PRO 46 3.850 5.656 0.486 307 HD2 PRO 46 2HD PRO 46 4.245 4.888 -2.378 308 HD3 PRO 46 1HD PRO 46 4.271 3.870 -0.922 309 H LYS 47 H LYS 47 -0.869 6.388 -1.189 310 HA LYS 47 HA LYS 47 -1.206 6.262 -4.063 311 HB2 LYS 47 2HB LYS 47 -2.843 5.342 -2.320 312 HB3 LYS 47 1HB LYS 47 -3.289 7.019 -2.022 313 HG2 LYS 47 2HG LYS 47 -3.442 6.869 -4.732 314 HG3 LYS 47 1HG LYS 47 -3.954 5.259 -4.239 315 HD2 LYS 47 2HD LYS 47 -5.775 6.057 -3.051 316 HD3 LYS 47 1HD LYS 47 -5.093 7.679 -2.910 317 HE2 LYS 47 2HE LYS 47 -5.327 7.850 -5.419 318 HE3 LYS 47 1HE LYS 47 -6.265 6.364 -5.351 319 HZ1 LYS 47 3HZ LYS 47 -7.584 8.464 -5.343 320 HZ2 LYS 47 1HZ LYS 47 -6.970 8.790 -3.802 321 HZ3 LYS 47 2HZ LYS 47 -7.922 7.411 -4.067 322 HA PRO 48 HA PRO 48 -0.745 10.708 -4.598 323 HB2 PRO 48 2HB PRO 48 -2.279 10.178 -7.073 324 HB3 PRO 48 1HB PRO 48 -0.696 10.936 -6.871 325 HG2 PRO 48 2HG PRO 48 -0.926 8.469 -7.873 326 HG3 PRO 48 1HG PRO 48 0.415 8.902 -6.794 327 HD2 PRO 48 2HD PRO 48 -2.092 7.378 -6.184 328 HD3 PRO 48 1HD PRO 48 -0.430 7.083 -5.631 329 H GLN 49 H GLN 49 -2.049 12.479 -4.362 330 HA GLN 49 HA GLN 49 -4.860 12.498 -4.405 331 HB2 GLN 49 2HB GLN 49 -5.158 12.419 -1.871 332 HB3 GLN 49 1HB GLN 49 -4.943 10.900 -2.720 333 HG2 GLN 49 2HG GLN 49 -2.612 10.847 -2.086 334 HG3 GLN 49 1HG GLN 49 -2.786 12.386 -1.254 335 HE21 GLN 49 1HE2 GLN 49 -2.131 11.469 0.685 336 HE22 GLN 49 2HE2 GLN 49 -3.168 10.448 1.618 337 H SER 50 H SER 50 -1.850 13.715 -3.459 338 HA SER 50 HA SER 50 -2.939 16.139 -2.260 339 HB2 SER 50 2HB SER 50 -0.070 15.317 -2.781 340 HB3 SER 50 1HB SER 50 -0.579 16.734 -1.869 341 HG SER 50 HG SER 50 -0.303 14.198 -1.029 342 H HIS 51 H HIS 51 -4.045 16.465 -4.407 343 HA HIS 51 HA HIS 51 -2.375 17.369 -6.589 344 HB2 HIS 51 2HB HIS 51 -5.354 17.364 -6.197 345 HB3 HIS 51 1HB HIS 51 -4.574 17.968 -7.645 346 HD1 HIS 51 HD1 HIS 51 -3.699 16.282 -9.327 347 HD2 HIS 51 HD2 HIS 51 -5.303 14.533 -5.908 348 HE1 HIS 51 HE1 HIS 51 -3.894 13.825 -9.846 349 HE2 HIS 51 HE2 HIS 51 -5.038 12.819 -7.835 Start of MODEL 16 1 H1 VAL 1 1H VAL 1 -4.245 11.981 9.560 2 H2 VAL 1 2H VAL 1 -4.521 13.628 9.295 3 H3 VAL 1 3H VAL 1 -2.961 13.082 9.671 4 HA VAL 1 HA VAL 1 -3.121 13.591 7.343 5 HB VAL 1 HB VAL 1 -2.495 11.355 6.392 6 HG11 VAL 1 1HG1 VAL 1 -1.205 12.077 9.021 7 HG12 VAL 1 2HG1 VAL 1 -0.843 12.808 7.458 8 HG13 VAL 1 3HG1 VAL 1 -0.475 11.106 7.742 9 HG21 VAL 1 3HG2 VAL 1 -3.994 9.966 7.733 10 HG22 VAL 1 1HG2 VAL 1 -3.089 10.386 9.187 11 HG23 VAL 1 2HG2 VAL 1 -2.317 9.445 7.909 12 H VAL 2 H VAL 2 -4.237 13.584 5.447 13 HA VAL 2 HA VAL 2 -6.939 12.411 5.578 14 HB VAL 2 HB VAL 2 -5.982 14.728 3.882 15 HG11 VAL 2 1HG1 VAL 2 -8.755 13.632 4.344 16 HG12 VAL 2 2HG1 VAL 2 -7.824 13.518 2.851 17 HG13 VAL 2 3HG1 VAL 2 -8.369 15.092 3.434 18 HG21 VAL 2 3HG2 VAL 2 -6.003 15.286 6.265 19 HG22 VAL 2 1HG2 VAL 2 -7.676 14.740 6.379 20 HG23 VAL 2 2HG2 VAL 2 -7.272 16.144 5.391 21 H TYR 3 H TYR 3 -7.290 10.709 4.325 22 HA TYR 3 HA TYR 3 -5.618 10.360 1.926 23 HB2 TYR 3 2HB TYR 3 -6.982 8.279 3.647 24 HB3 TYR 3 1HB TYR 3 -6.151 7.929 2.138 25 HD1 TYR 3 HD2 TYR 3 -3.658 9.121 2.144 26 HD2 TYR 3 HD1 TYR 3 -5.811 7.703 5.527 27 HE1 TYR 3 HE2 TYR 3 -1.545 8.862 3.373 28 HE2 TYR 3 HE1 TYR 3 -3.702 7.433 6.760 29 HH TYR 3 HH TYR 3 -1.352 7.185 6.365 30 H THR 4 H THR 4 -6.789 8.838 0.319 31 HA THR 4 HA THR 4 -9.619 9.508 0.086 32 HB THR 4 HB THR 4 -9.038 9.622 -2.488 33 HG1 THR 4 HG1 THR 4 -6.680 10.811 -1.486 34 HG21 THR 4 3HG2 THR 4 -10.066 11.437 -1.209 35 HG22 THR 4 1HG2 THR 4 -8.854 12.060 -2.325 36 HG23 THR 4 2HG2 THR 4 -8.479 11.919 -0.606 37 H ASP 5 H ASP 5 -9.937 8.167 -2.427 38 HA ASP 5 HA ASP 5 -9.846 5.453 -1.364 39 HB2 ASP 5 2HB ASP 5 -11.088 6.529 -3.917 40 HB3 ASP 5 1HB ASP 5 -11.272 4.887 -3.313 41 H CYS 6 H CYS 6 -9.011 3.686 -2.558 42 HA CYS 6 HA CYS 6 -6.490 4.122 -3.739 43 HB2 CYS 6 2HB CYS 6 -8.151 1.617 -4.009 44 HB3 CYS 6 1HB CYS 6 -6.398 1.757 -4.055 45 HG CYS 6 HG CYS 6 -8.436 2.024 -1.326 46 H THR 7 H THR 7 -5.869 4.285 -5.810 47 HA THR 7 HA THR 7 -7.969 4.380 -7.852 48 HB THR 7 HB THR 7 -5.151 5.428 -8.104 49 HG1 THR 7 HG1 THR 7 -7.502 6.742 -7.132 50 HG21 THR 7 3HG2 THR 7 -7.716 6.130 -9.542 51 HG22 THR 7 1HG2 THR 7 -6.389 5.178 -10.205 52 HG23 THR 7 2HG2 THR 7 -6.144 6.881 -9.817 53 H GLU 8 H GLU 8 -5.221 2.579 -6.851 54 HA GLU 8 HA GLU 8 -5.304 1.030 -9.314 55 HB2 GLU 8 2HB GLU 8 -3.259 2.913 -8.711 56 HB3 GLU 8 1HB GLU 8 -2.568 1.304 -8.571 57 HG2 GLU 8 2HG GLU 8 -4.073 2.317 -10.972 58 HG3 GLU 8 1HG GLU 8 -2.316 2.287 -10.817 59 H SER 9 H SER 9 -4.121 -0.967 -9.154 60 HA SER 9 HA SER 9 -4.429 -2.179 -6.535 61 HB2 SER 9 2HB SER 9 -3.513 -3.435 -9.138 62 HB3 SER 9 1HB SER 9 -4.096 -4.279 -7.699 63 HG SER 9 HG SER 9 -5.509 -2.955 -9.688 64 H GLY 10 H GLY 10 -2.798 -2.449 -5.154 65 HA2 GLY 10 2HA GLY 10 -0.447 -3.037 -4.788 66 HA3 GLY 10 1HA GLY 10 -0.050 -2.058 -6.194 67 H GLN 11 H GLN 11 -2.369 -0.342 -4.841 68 HA GLN 11 HA GLN 11 -0.527 1.322 -3.309 69 HB2 GLN 11 2HB GLN 11 -3.075 1.751 -4.706 70 HB3 GLN 11 1HB GLN 11 -2.956 2.584 -3.159 71 HG2 GLN 11 2HG GLN 11 -1.796 4.172 -4.156 72 HG3 GLN 11 1HG GLN 11 -0.510 3.006 -4.455 73 HE21 GLN 11 1HE2 GLN 11 -3.143 4.768 -5.794 74 HE22 GLN 11 2HE2 GLN 11 -2.847 4.365 -7.446 75 H ASN 12 H ASN 12 -1.247 2.196 -1.182 76 HA ASN 12 HA ASN 12 -3.009 0.335 0.221 77 HB2 ASN 12 2HB ASN 12 -1.369 0.451 2.181 78 HB3 ASN 12 1HB ASN 12 -1.027 -0.636 0.850 79 HD21 ASN 12 1HD2 ASN 12 1.114 -0.690 1.490 80 HD22 ASN 12 2HD2 ASN 12 2.203 0.611 1.135 81 H LEU 13 H LEU 13 -1.078 3.254 0.799 82 HA LEU 13 HA LEU 13 -2.540 4.262 2.966 83 HB2 LEU 13 2HB LEU 13 -0.839 5.666 0.911 84 HB3 LEU 13 1HB LEU 13 -1.481 6.459 2.337 85 HG LEU 13 HG LEU 13 0.342 4.054 2.456 86 HD11 LEU 13 1HD1 LEU 13 2.117 5.648 3.030 87 HD12 LEU 13 2HD1 LEU 13 1.019 6.985 2.688 88 HD13 LEU 13 3HD1 LEU 13 1.517 5.899 1.392 89 HD21 LEU 13 3HD2 LEU 13 -0.366 6.100 4.554 90 HD22 LEU 13 1HD2 LEU 13 0.591 4.636 4.769 91 HD23 LEU 13 2HD2 LEU 13 -1.133 4.520 4.415 92 H CYS 14 H CYS 14 -4.581 3.564 1.626 93 HA CYS 14 HA CYS 14 -6.041 5.985 1.071 94 HB2 CYS 14 2HB CYS 14 -6.884 4.818 -1.137 95 HB3 CYS 14 1HB CYS 14 -5.411 5.765 -1.154 96 HG CYS 14 HG CYS 14 -5.562 2.352 -0.956 97 H LEU 15 H LEU 15 -8.421 5.491 0.963 98 HA LEU 15 HA LEU 15 -9.043 3.316 2.750 99 HB2 LEU 15 2HB LEU 15 -11.446 4.355 1.633 100 HB3 LEU 15 1HB LEU 15 -10.822 4.536 3.252 101 HG LEU 15 HG LEU 15 -9.944 6.380 1.039 102 HD11 LEU 15 1HD1 LEU 15 -12.374 6.489 1.133 103 HD12 LEU 15 2HD1 LEU 15 -11.659 7.949 1.817 104 HD13 LEU 15 3HD1 LEU 15 -12.311 6.704 2.882 105 HD21 LEU 15 3HD2 LEU 15 -10.083 6.733 4.032 106 HD22 LEU 15 1HD2 LEU 15 -9.416 7.872 2.864 107 HD23 LEU 15 2HD2 LEU 15 -8.627 6.317 3.128 108 H CYS 16 H CYS 16 -8.706 1.421 1.836 109 HA CYS 16 HA CYS 16 -9.378 0.768 -0.843 110 HB2 CYS 16 2HB CYS 16 -7.552 -0.383 0.157 111 HB3 CYS 16 1HB CYS 16 -8.516 -0.847 1.547 112 HG CYS 16 HG CYS 16 -10.219 -2.334 -0.509 113 H GLU 17 H GLU 17 -10.436 -0.950 2.033 114 HA GLU 17 HA GLU 17 -12.981 -1.570 0.771 115 HB2 GLU 17 2HB GLU 17 -11.293 -2.983 2.381 116 HB3 GLU 17 1HB GLU 17 -12.442 -2.384 3.567 117 HG2 GLU 17 2HG GLU 17 -13.271 -3.855 1.079 118 HG3 GLU 17 1HG GLU 17 -12.889 -4.671 2.593 119 H GLY 18 H GLY 18 -14.999 -1.269 2.053 120 HA2 GLY 18 2HA GLY 18 -16.297 0.763 2.503 121 HA3 GLY 18 1HA GLY 18 -16.057 -0.133 3.986 122 H SER 19 H SER 19 -14.672 0.673 5.569 123 HA SER 19 HA SER 19 -13.499 3.327 5.010 124 HB2 SER 19 2HB SER 19 -13.774 3.699 7.513 125 HB3 SER 19 1HB SER 19 -15.265 3.705 6.572 126 HG SER 19 HG SER 19 -14.489 2.065 8.595 127 H ASN 20 H ASN 20 -12.513 0.487 4.861 128 HA ASN 20 HA ASN 20 -10.459 0.327 6.867 129 HB2 ASN 20 2HB ASN 20 -11.019 -1.250 4.365 130 HB3 ASN 20 1HB ASN 20 -9.588 -1.530 5.356 131 HD21 ASN 20 1HD2 ASN 20 -13.080 -1.555 5.329 132 HD22 ASN 20 2HD2 ASN 20 -13.266 -2.612 6.672 133 H VAL 21 H VAL 21 -9.147 1.947 6.822 134 HA VAL 21 HA VAL 21 -8.028 2.953 4.325 135 HB VAL 21 HB VAL 21 -7.380 3.826 7.153 136 HG11 VAL 21 1HG1 VAL 21 -6.626 5.893 6.069 137 HG12 VAL 21 2HG1 VAL 21 -6.975 5.187 4.491 138 HG13 VAL 21 3HG1 VAL 21 -5.720 4.487 5.512 139 HG21 VAL 21 3HG2 VAL 21 -9.445 4.934 5.254 140 HG22 VAL 21 1HG2 VAL 21 -8.965 5.671 6.783 141 HG23 VAL 21 2HG2 VAL 21 -9.759 4.096 6.773 142 H CYS 22 H CYS 22 -6.569 1.555 3.535 143 HA CYS 22 HA CYS 22 -4.926 -0.071 5.211 144 HB2 CYS 22 2HB CYS 22 -5.716 -0.041 2.488 145 HB3 CYS 22 1HB CYS 22 -3.961 0.026 2.515 146 HG CYS 22 HG CYS 22 -5.988 -2.426 3.710 147 H GLY 23 H GLY 23 -2.607 -0.071 5.223 148 HA2 GLY 23 2HA GLY 23 -1.343 2.476 4.510 149 HA3 GLY 23 1HA GLY 23 -1.214 1.898 6.167 150 H GLN 24 H GLN 24 1.083 1.738 6.000 151 HA GLN 24 HA GLN 24 2.137 0.075 3.860 152 HB2 GLN 24 2HB GLN 24 3.327 2.143 4.569 153 HB3 GLN 24 1HB GLN 24 3.620 1.403 6.137 154 HG2 GLN 24 2HG GLN 24 5.021 -0.262 5.185 155 HG3 GLN 24 1HG GLN 24 4.558 0.200 3.550 156 HE21 GLN 24 1HE2 GLN 24 4.701 3.055 4.165 157 HE22 GLN 24 2HE2 GLN 24 6.389 3.443 4.213 158 H GLY 25 H GLY 25 3.022 -1.919 4.095 159 HA2 GLY 25 2HA GLY 25 3.466 -3.924 5.307 160 HA3 GLY 25 1HA GLY 25 2.515 -3.284 6.653 161 H ASN 26 H ASN 26 0.750 -2.313 4.282 162 HA ASN 26 HA ASN 26 -0.564 -4.862 3.660 163 HB2 ASN 26 2HB ASN 26 -1.884 -2.230 4.366 164 HB3 ASN 26 1HB ASN 26 -2.736 -3.607 3.677 165 HD21 ASN 26 1HD2 ASN 26 -1.187 -2.317 6.501 166 HD22 ASN 26 2HD2 ASN 26 -1.753 -3.518 7.606 167 H LYS 27 H LYS 27 -1.921 -4.698 1.702 168 HA LYS 27 HA LYS 27 -1.201 -2.580 -0.149 169 HB2 LYS 27 2HB LYS 27 0.637 -4.116 -0.463 170 HB3 LYS 27 1HB LYS 27 -0.465 -5.478 -0.595 171 HG2 LYS 27 2HG LYS 27 -1.184 -4.843 -2.723 172 HG3 LYS 27 1HG LYS 27 -0.558 -3.202 -2.542 173 HD2 LYS 27 2HD LYS 27 0.837 -4.568 -4.039 174 HD3 LYS 27 1HD LYS 27 1.720 -4.030 -2.608 175 HE2 LYS 27 2HE LYS 27 2.249 -6.347 -3.086 176 HE3 LYS 27 1HE LYS 27 1.343 -6.238 -1.577 177 HZ1 LYS 27 3HZ LYS 27 0.183 -6.957 -4.217 178 HZ2 LYS 27 1HZ LYS 27 -0.637 -6.935 -2.737 179 HZ3 LYS 27 2HZ LYS 27 0.590 -8.065 -2.999 180 H CYS 28 H CYS 28 -3.035 -2.034 -1.169 181 HA CYS 28 HA CYS 28 -5.242 -3.916 -1.181 182 HB2 CYS 28 2HB CYS 28 -5.853 -1.687 -0.545 183 HB3 CYS 28 1HB CYS 28 -5.049 -1.003 -1.953 184 HG CYS 28 HG CYS 28 -7.994 -2.712 -1.862 185 H ILE 29 H ILE 29 -6.058 -4.871 -2.959 186 HA ILE 29 HA ILE 29 -4.915 -4.139 -5.560 187 HB ILE 29 HB ILE 29 -5.265 -6.644 -6.125 188 HG12 ILE 29 2HG1 ILE 29 -4.889 -6.796 -3.131 189 HG13 ILE 29 1HG1 ILE 29 -6.391 -7.169 -3.974 190 HG21 ILE 29 1HG2 ILE 29 -2.964 -7.150 -5.420 191 HG22 ILE 29 2HG2 ILE 29 -2.977 -5.719 -4.388 192 HG23 ILE 29 3HG2 ILE 29 -3.102 -5.546 -6.138 193 HD11 ILE 29 3HD1 ILE 29 -3.779 -8.639 -4.263 194 HD12 ILE 29 1HD1 ILE 29 -5.267 -9.004 -5.138 195 HD13 ILE 29 2HD1 ILE 29 -5.205 -9.195 -3.386 196 H LEU 30 H LEU 30 -6.379 -3.575 -6.952 197 HA LEU 30 HA LEU 30 -9.172 -4.238 -6.523 198 HB2 LEU 30 2HB LEU 30 -7.813 -2.339 -8.442 199 HB3 LEU 30 1HB LEU 30 -9.537 -2.651 -8.453 200 HG LEU 30 HG LEU 30 -9.526 -1.850 -6.017 201 HD11 LEU 30 1HD1 LEU 30 -7.740 -0.313 -5.409 202 HD12 LEU 30 2HD1 LEU 30 -6.877 -0.716 -6.892 203 HD13 LEU 30 3HD1 LEU 30 -7.119 -1.946 -5.652 204 HD21 LEU 30 3HD2 LEU 30 -9.694 0.480 -6.699 205 HD22 LEU 30 1HD2 LEU 30 -10.479 -0.579 -7.869 206 HD23 LEU 30 2HD2 LEU 30 -8.890 0.103 -8.223 207 H GLY 31 H GLY 31 -8.984 -6.455 -7.040 208 HA2 GLY 31 2HA GLY 31 -8.047 -7.121 -9.736 209 HA3 GLY 31 1HA GLY 31 -8.325 -8.258 -8.427 210 H ARG 32 H ARG 32 -10.168 -9.363 -8.394 211 HA ARG 32 HA ARG 32 -12.520 -8.472 -9.803 212 HB2 ARG 32 2HB ARG 32 -12.530 -10.540 -11.268 213 HB3 ARG 32 1HB ARG 32 -11.361 -9.302 -11.709 214 HG2 ARG 32 2HG ARG 32 -9.640 -10.616 -10.436 215 HG3 ARG 32 1HG ARG 32 -10.839 -11.902 -10.289 216 HD2 ARG 32 2HD ARG 32 -9.893 -10.734 -12.902 217 HD3 ARG 32 1HD ARG 32 -9.253 -12.208 -12.180 218 HE ARG 32 HE ARG 32 -12.060 -12.409 -12.409 219 HH11 ARG 32 1HH1 ARG 32 -9.184 -12.362 -14.401 220 HH12 ARG 32 2HH1 ARG 32 -9.861 -13.359 -15.652 221 HH21 ARG 32 1HH2 ARG 32 -12.977 -13.704 -14.053 222 HH22 ARG 32 2HH2 ARG 32 -12.019 -14.146 -15.438 223 H GLY 33 H GLY 33 -14.321 -10.003 -9.550 224 HA2 GLY 33 2HA GLY 33 -15.566 -11.547 -8.369 225 HA3 GLY 33 1HA GLY 33 -14.062 -12.259 -7.796 226 H ASP 34 H ASP 34 -13.938 -12.253 -5.667 227 HA ASP 34 HA ASP 34 -15.197 -10.083 -4.150 228 HB2 ASP 34 2HB ASP 34 -14.036 -12.748 -3.328 229 HB3 ASP 34 1HB ASP 34 -14.486 -11.515 -2.154 230 H SER 35 H SER 35 -12.275 -10.937 -5.494 231 HA SER 35 HA SER 35 -10.691 -9.436 -3.541 232 HB2 SER 35 2HB SER 35 -9.978 -11.707 -4.417 233 HB3 SER 35 1HB SER 35 -9.693 -10.929 -5.968 234 HG SER 35 HG SER 35 -7.768 -10.864 -4.949 235 H LYS 36 H LYS 36 -12.665 -8.425 -5.502 236 HA LYS 36 HA LYS 36 -11.370 -6.938 -7.524 237 HB2 LYS 36 2HB LYS 36 -13.522 -5.540 -7.342 238 HB3 LYS 36 1HB LYS 36 -13.683 -7.235 -7.787 239 HG2 LYS 36 2HG LYS 36 -14.462 -7.836 -5.668 240 HG3 LYS 36 1HG LYS 36 -13.927 -6.324 -4.942 241 HD2 LYS 36 2HD LYS 36 -15.608 -5.141 -6.374 242 HD3 LYS 36 1HD LYS 36 -16.196 -6.721 -6.896 243 HE2 LYS 36 2HE LYS 36 -17.597 -5.894 -5.120 244 HE3 LYS 36 1HE LYS 36 -16.674 -7.279 -4.537 245 HZ1 LYS 36 3HZ LYS 36 -15.919 -4.443 -4.065 246 HZ2 LYS 36 1HZ LYS 36 -15.170 -5.815 -3.405 247 HZ3 LYS 36 2HZ LYS 36 -16.752 -5.409 -2.947 248 H ASN 37 H ASN 37 -11.884 -6.437 -4.154 249 HA ASN 37 HA ASN 37 -10.040 -4.226 -4.131 250 HB2 ASN 37 2HB ASN 37 -12.180 -3.061 -4.433 251 HB3 ASN 37 1HB ASN 37 -12.872 -3.946 -3.074 252 HD21 ASN 37 1HD2 ASN 37 -10.621 -1.473 -4.034 253 HD22 ASN 37 2HD2 ASN 37 -10.445 -0.762 -2.476 254 H GLN 38 H GLN 38 -8.697 -5.590 -2.957 255 HA GLN 38 HA GLN 38 -9.723 -6.353 -0.303 256 HB2 GLN 38 2HB GLN 38 -9.622 -8.357 -1.635 257 HB3 GLN 38 1HB GLN 38 -7.983 -7.987 -2.148 258 HG2 GLN 38 2HG GLN 38 -7.871 -9.683 -0.487 259 HG3 GLN 38 1HG GLN 38 -7.254 -8.196 0.214 260 HE21 GLN 38 1HE2 GLN 38 -7.641 -8.815 2.311 261 HE22 GLN 38 2HE2 GLN 38 -9.231 -8.967 2.973 262 H CYS 39 H CYS 39 -8.467 -5.949 1.398 263 HA CYS 39 HA CYS 39 -5.863 -4.727 0.989 264 HB2 CYS 39 2HB CYS 39 -7.621 -5.113 3.397 265 HB3 CYS 39 1HB CYS 39 -5.967 -4.545 3.541 266 HG CYS 39 HG CYS 39 -7.877 -2.829 1.373 267 H VAL 40 H VAL 40 -4.580 -6.442 0.305 268 HA VAL 40 HA VAL 40 -4.358 -8.786 2.016 269 HB VAL 40 HB VAL 40 -4.289 -8.809 -0.549 270 HG11 VAL 40 1HG1 VAL 40 -2.722 -7.006 -0.901 271 HG12 VAL 40 2HG1 VAL 40 -2.095 -8.507 -1.581 272 HG13 VAL 40 3HG1 VAL 40 -1.464 -7.902 -0.049 273 HG21 VAL 40 3HG2 VAL 40 -2.628 -10.648 -0.590 274 HG22 VAL 40 1HG2 VAL 40 -3.784 -10.777 0.737 275 HG23 VAL 40 2HG2 VAL 40 -2.147 -10.201 1.047 276 H THR 41 H THR 41 -2.202 -9.432 2.826 277 HA THR 41 HA THR 41 -0.827 -7.113 3.897 278 HB THR 41 HB THR 41 0.470 -8.897 5.187 279 HG1 THR 41 HG1 THR 41 -0.270 -10.966 5.117 280 HG21 THR 41 3HG2 THR 41 -1.326 -7.600 6.207 281 HG22 THR 41 1HG2 THR 41 -1.375 -9.271 6.773 282 HG23 THR 41 2HG2 THR 41 -2.523 -8.719 5.553 283 H GLY 42 H GLY 42 1.007 -6.372 3.230 284 HA2 GLY 42 2HA GLY 42 3.195 -7.695 2.221 285 HA3 GLY 42 1HA GLY 42 2.175 -7.350 0.830 286 H GLU 43 H GLU 43 3.564 -5.863 -0.088 287 HA GLU 43 HA GLU 43 3.928 -3.398 1.487 288 HB2 GLU 43 2HB GLU 43 5.837 -4.300 -0.665 289 HB3 GLU 43 1HB GLU 43 6.087 -3.074 0.568 290 HG2 GLU 43 2HG GLU 43 5.899 -6.042 1.047 291 HG3 GLU 43 1HG GLU 43 7.380 -5.091 1.012 292 H GLY 44 H GLY 44 2.500 -2.005 0.671 293 HA2 GLY 44 2HA GLY 44 1.826 -2.103 -2.156 294 HA3 GLY 44 1HA GLY 44 0.998 -1.171 -0.921 295 H THR 45 H THR 45 0.992 0.756 -1.930 296 HA THR 45 HA THR 45 3.507 2.190 -2.099 297 HB THR 45 HB THR 45 2.257 1.092 -4.411 298 HG1 THR 45 HG1 THR 45 4.346 1.262 -4.713 299 HG21 THR 45 3HG2 THR 45 2.211 4.107 -4.402 300 HG22 THR 45 1HG2 THR 45 0.811 3.040 -4.514 301 HG23 THR 45 2HG2 THR 45 1.993 3.081 -5.820 302 HA PRO 46 HA PRO 46 0.926 5.483 -0.580 303 HB2 PRO 46 2HB PRO 46 2.691 7.275 -2.147 304 HB3 PRO 46 1HB PRO 46 2.335 7.280 -0.417 305 HG2 PRO 46 2HG PRO 46 4.701 6.440 -1.336 306 HG3 PRO 46 1HG PRO 46 3.922 5.658 0.053 307 HD2 PRO 46 2HD PRO 46 4.089 4.748 -2.792 308 HD3 PRO 46 1HD PRO 46 4.207 3.800 -1.294 309 H LYS 47 H LYS 47 -1.014 5.739 -1.462 310 HA LYS 47 HA LYS 47 -1.395 6.263 -4.260 311 HB2 LYS 47 2HB LYS 47 -2.925 4.853 -2.866 312 HB3 LYS 47 1HB LYS 47 -3.386 6.296 -1.979 313 HG2 LYS 47 2HG LYS 47 -3.671 6.434 -4.905 314 HG3 LYS 47 1HG LYS 47 -4.737 5.319 -4.056 315 HD2 LYS 47 2HD LYS 47 -5.847 6.981 -2.967 316 HD3 LYS 47 1HD LYS 47 -4.447 8.045 -2.935 317 HE2 LYS 47 2HE LYS 47 -4.778 8.205 -5.486 318 HE3 LYS 47 1HE LYS 47 -6.370 7.517 -5.178 319 HZ1 LYS 47 3HZ LYS 47 -6.681 9.408 -3.560 320 HZ2 LYS 47 1HZ LYS 47 -6.654 9.833 -5.204 321 HZ3 LYS 47 2HZ LYS 47 -5.290 10.105 -4.232 322 HA PRO 48 HA PRO 48 -0.397 10.473 -3.656 323 HB2 PRO 48 2HB PRO 48 -1.277 11.378 -6.100 324 HB3 PRO 48 1HB PRO 48 0.284 10.624 -5.788 325 HG2 PRO 48 2HG PRO 48 -2.197 9.458 -6.949 326 HG3 PRO 48 1HG PRO 48 -0.504 9.121 -7.354 327 HD2 PRO 48 2HD PRO 48 -2.023 7.454 -5.852 328 HD3 PRO 48 1HD PRO 48 -0.269 7.608 -5.639 329 H GLN 49 H GLN 49 -1.125 12.403 -3.320 330 HA GLN 49 HA GLN 49 -4.027 12.883 -3.371 331 HB2 GLN 49 2HB GLN 49 -3.408 14.707 -1.669 332 HB3 GLN 49 1HB GLN 49 -3.399 13.035 -1.129 333 HG2 GLN 49 2HG GLN 49 -1.059 12.911 -1.215 334 HG3 GLN 49 1HG GLN 49 -0.928 14.445 -2.063 335 HE21 GLN 49 1HE2 GLN 49 -1.182 16.371 -0.902 336 HE22 GLN 49 2HE2 GLN 49 -1.125 16.414 0.826 337 H SER 50 H SER 50 -0.901 13.792 -4.386 338 HA SER 50 HA SER 50 -1.752 16.314 -5.551 339 HB2 SER 50 2HB SER 50 0.878 14.897 -6.003 340 HB3 SER 50 1HB SER 50 0.530 16.622 -6.152 341 HG SER 50 HG SER 50 0.678 15.053 -3.795 342 H HIS 51 H HIS 51 -0.213 13.371 -6.923 343 HA HIS 51 HA HIS 51 -1.036 14.110 -9.580 344 HB2 HIS 51 2HB HIS 51 0.502 11.853 -8.385 345 HB3 HIS 51 1HB HIS 51 -0.203 11.612 -9.973 346 HD1 HIS 51 HD1 HIS 51 0.610 13.232 -11.876 347 HD2 HIS 51 HD2 HIS 51 2.852 13.295 -8.380 348 HE1 HIS 51 HE1 HIS 51 2.817 14.258 -12.507 349 HE2 HIS 51 HE2 HIS 51 4.242 14.027 -10.444 Start of MODEL 17 1 H1 VAL 1 1H VAL 1 -5.649 15.142 6.193 2 H2 VAL 1 2H VAL 1 -4.535 15.359 7.443 3 H3 VAL 1 3H VAL 1 -6.114 14.851 7.797 4 HA VAL 1 HA VAL 1 -4.130 13.320 6.224 5 HB VAL 1 HB VAL 1 -4.055 11.777 8.154 6 HG11 VAL 1 1HG1 VAL 1 -3.260 14.613 8.803 7 HG12 VAL 1 2HG1 VAL 1 -2.314 13.457 7.865 8 HG13 VAL 1 3HG1 VAL 1 -2.625 13.160 9.575 9 HG21 VAL 1 3HG2 VAL 1 -6.175 12.300 9.207 10 HG22 VAL 1 1HG2 VAL 1 -5.621 13.936 9.564 11 HG23 VAL 1 2HG2 VAL 1 -4.859 12.556 10.351 12 H VAL 2 H VAL 2 -6.844 13.984 5.474 13 HA VAL 2 HA VAL 2 -8.347 11.522 5.897 14 HB VAL 2 HB VAL 2 -9.048 13.977 4.263 15 HG11 VAL 2 1HG1 VAL 2 -10.205 12.007 3.438 16 HG12 VAL 2 2HG1 VAL 2 -11.337 13.063 4.283 17 HG13 VAL 2 3HG1 VAL 2 -10.731 11.605 5.070 18 HG21 VAL 2 3HG2 VAL 2 -10.571 14.516 6.102 19 HG22 VAL 2 1HG2 VAL 2 -8.893 14.462 6.648 20 HG23 VAL 2 2HG2 VAL 2 -9.979 13.117 7.000 21 H TYR 3 H TYR 3 -7.963 9.831 4.634 22 HA TYR 3 HA TYR 3 -6.569 10.224 2.119 23 HB2 TYR 3 2HB TYR 3 -7.118 7.827 3.840 24 HB3 TYR 3 1HB TYR 3 -6.595 7.628 2.168 25 HD1 TYR 3 HD2 TYR 3 -4.510 9.272 1.580 26 HD2 TYR 3 HD1 TYR 3 -5.451 7.722 5.426 27 HE1 TYR 3 HE2 TYR 3 -2.170 9.576 2.266 28 HE2 TYR 3 HE1 TYR 3 -3.113 8.014 6.123 29 HH TYR 3 HH TYR 3 -0.967 9.937 4.526 30 H THR 4 H THR 4 -7.216 8.499 0.420 31 HA THR 4 HA THR 4 -10.075 8.817 -0.118 32 HB THR 4 HB THR 4 -9.157 8.828 -2.592 33 HG1 THR 4 HG1 THR 4 -6.961 10.009 -1.198 34 HG21 THR 4 3HG2 THR 4 -8.930 11.236 -0.783 35 HG22 THR 4 1HG2 THR 4 -10.397 10.675 -1.583 36 HG23 THR 4 2HG2 THR 4 -9.046 11.283 -2.542 37 H ASP 5 H ASP 5 -10.407 7.262 -2.286 38 HA ASP 5 HA ASP 5 -9.818 4.631 -1.186 39 HB2 ASP 5 2HB ASP 5 -11.620 5.636 -3.395 40 HB3 ASP 5 1HB ASP 5 -11.253 3.923 -3.253 41 H CYS 6 H CYS 6 -8.865 2.945 -2.456 42 HA CYS 6 HA CYS 6 -6.496 3.752 -3.732 43 HB2 CYS 6 2HB CYS 6 -7.727 1.035 -4.078 44 HB3 CYS 6 1HB CYS 6 -6.024 1.470 -4.015 45 HG CYS 6 HG CYS 6 -5.731 1.423 -1.415 46 H THR 7 H THR 7 -5.970 4.080 -5.788 47 HA THR 7 HA THR 7 -8.107 3.897 -7.793 48 HB THR 7 HB THR 7 -5.535 5.462 -7.972 49 HG1 THR 7 HG1 THR 7 -8.096 6.411 -7.115 50 HG21 THR 7 3HG2 THR 7 -6.770 6.792 -9.629 51 HG22 THR 7 1HG2 THR 7 -8.177 5.750 -9.419 52 HG23 THR 7 2HG2 THR 7 -6.688 5.096 -10.104 53 H GLU 8 H GLU 8 -5.030 2.667 -6.902 54 HA GLU 8 HA GLU 8 -4.776 1.233 -9.453 55 HB2 GLU 8 2HB GLU 8 -2.879 3.052 -8.144 56 HB3 GLU 8 1HB GLU 8 -2.176 1.530 -8.640 57 HG2 GLU 8 2HG GLU 8 -3.743 3.337 -10.468 58 HG3 GLU 8 1HG GLU 8 -1.990 3.393 -10.296 59 H SER 9 H SER 9 -3.644 -0.783 -9.299 60 HA SER 9 HA SER 9 -4.207 -2.086 -6.763 61 HB2 SER 9 2HB SER 9 -3.309 -3.224 -9.430 62 HB3 SER 9 1HB SER 9 -3.783 -4.175 -8.019 63 HG SER 9 HG SER 9 -5.344 -2.728 -9.808 64 H GLY 10 H GLY 10 -2.653 -2.157 -5.267 65 HA2 GLY 10 2HA GLY 10 -0.342 -3.047 -4.850 66 HA3 GLY 10 1HA GLY 10 0.160 -2.029 -6.194 67 H GLN 11 H GLN 11 -2.185 -0.349 -4.706 68 HA GLN 11 HA GLN 11 -0.299 1.274 -3.186 69 HB2 GLN 11 2HB GLN 11 -2.949 1.666 -4.401 70 HB3 GLN 11 1HB GLN 11 -2.784 2.423 -2.813 71 HG2 GLN 11 2HG GLN 11 -1.777 4.092 -3.805 72 HG3 GLN 11 1HG GLN 11 -0.429 3.030 -4.160 73 HE21 GLN 11 1HE2 GLN 11 -3.207 4.658 -5.371 74 HE22 GLN 11 2HE2 GLN 11 -2.902 4.375 -7.046 75 H ASN 12 H ASN 12 -1.211 2.108 -0.985 76 HA ASN 12 HA ASN 12 -2.741 0.035 0.369 77 HB2 ASN 12 2HB ASN 12 -1.088 0.186 2.323 78 HB3 ASN 12 1HB ASN 12 -0.708 -0.848 0.960 79 HD21 ASN 12 1HD2 ASN 12 1.442 -0.808 1.577 80 HD22 ASN 12 2HD2 ASN 12 2.460 0.547 1.229 81 H LEU 13 H LEU 13 -0.992 3.035 1.066 82 HA LEU 13 HA LEU 13 -2.563 3.849 3.247 83 HB2 LEU 13 2HB LEU 13 -0.888 5.478 1.340 84 HB3 LEU 13 1HB LEU 13 -1.560 6.091 2.839 85 HG LEU 13 HG LEU 13 0.364 3.771 2.702 86 HD11 LEU 13 1HD1 LEU 13 0.923 6.676 3.285 87 HD12 LEU 13 2HD1 LEU 13 1.447 5.786 1.858 88 HD13 LEU 13 3HD1 LEU 13 2.074 5.351 3.447 89 HD21 LEU 13 3HD2 LEU 13 -0.533 5.510 4.995 90 HD22 LEU 13 1HD2 LEU 13 0.614 4.174 5.082 91 HD23 LEU 13 2HD2 LEU 13 -1.074 3.862 4.688 92 H CYS 14 H CYS 14 -4.564 3.173 1.956 93 HA CYS 14 HA CYS 14 -6.034 5.583 1.307 94 HB2 CYS 14 2HB CYS 14 -6.932 4.167 -0.783 95 HB3 CYS 14 1HB CYS 14 -5.566 5.269 -0.918 96 HG CYS 14 HG CYS 14 -4.452 2.334 0.018 97 H LEU 15 H LEU 15 -8.424 4.947 0.898 98 HA LEU 15 HA LEU 15 -9.202 3.060 2.964 99 HB2 LEU 15 2HB LEU 15 -11.228 4.271 1.151 100 HB3 LEU 15 1HB LEU 15 -11.305 3.992 2.875 101 HG LEU 15 HG LEU 15 -9.746 6.220 1.562 102 HD11 LEU 15 1HD1 LEU 15 -11.489 7.679 2.477 103 HD12 LEU 15 2HD1 LEU 15 -12.382 6.262 3.028 104 HD13 LEU 15 3HD1 LEU 15 -12.144 6.538 1.303 105 HD21 LEU 15 3HD2 LEU 15 -9.549 7.092 3.836 106 HD22 LEU 15 1HD2 LEU 15 -8.786 5.509 3.680 107 HD23 LEU 15 2HD2 LEU 15 -10.365 5.655 4.457 108 H CYS 16 H CYS 16 -8.587 1.108 2.108 109 HA CYS 16 HA CYS 16 -9.308 0.313 -0.546 110 HB2 CYS 16 2HB CYS 16 -7.203 -0.392 0.512 111 HB3 CYS 16 1HB CYS 16 -8.116 -1.280 1.718 112 HG CYS 16 HG CYS 16 -7.890 -3.459 0.410 113 H GLU 17 H GLU 17 -9.969 -1.067 2.647 114 HA GLU 17 HA GLU 17 -12.359 -2.372 1.573 115 HB2 GLU 17 2HB GLU 17 -10.486 -3.257 3.297 116 HB3 GLU 17 1HB GLU 17 -11.697 -2.629 4.397 117 HG2 GLU 17 2HG GLU 17 -12.299 -4.622 2.232 118 HG3 GLU 17 1HG GLU 17 -11.888 -5.072 3.884 119 H GLY 18 H GLY 18 -14.129 -1.351 1.714 120 HA2 GLY 18 2HA GLY 18 -15.682 0.295 2.197 121 HA3 GLY 18 1HA GLY 18 -15.457 -0.292 3.836 122 H SER 19 H SER 19 -14.357 0.918 5.288 123 HA SER 19 HA SER 19 -13.440 3.565 4.375 124 HB2 SER 19 2HB SER 19 -13.872 4.111 6.864 125 HB3 SER 19 1HB SER 19 -15.265 3.964 5.792 126 HG SER 19 HG SER 19 -15.856 2.179 6.799 127 H ASN 20 H ASN 20 -12.201 0.692 5.234 128 HA ASN 20 HA ASN 20 -10.446 1.384 7.376 129 HB2 ASN 20 2HB ASN 20 -10.506 -0.948 5.464 130 HB3 ASN 20 1HB ASN 20 -9.268 -0.772 6.702 131 HD21 ASN 20 1HD2 ASN 20 -12.596 0.218 7.164 132 HD22 ASN 20 2HD2 ASN 20 -13.000 -1.020 8.303 133 H VAL 21 H VAL 21 -8.663 2.479 7.302 134 HA VAL 21 HA VAL 21 -7.507 3.249 4.743 135 HB VAL 21 HB VAL 21 -6.570 4.012 7.523 136 HG11 VAL 21 1HG1 VAL 21 -4.983 4.410 5.701 137 HG12 VAL 21 2HG1 VAL 21 -5.558 5.915 6.415 138 HG13 VAL 21 3HG1 VAL 21 -6.197 5.375 4.862 139 HG21 VAL 21 3HG2 VAL 21 -8.530 5.511 5.795 140 HG22 VAL 21 1HG2 VAL 21 -7.903 6.028 7.356 141 HG23 VAL 21 2HG2 VAL 21 -8.944 4.608 7.249 142 H CYS 22 H CYS 22 -6.367 1.478 3.974 143 HA CYS 22 HA CYS 22 -4.706 -0.067 5.709 144 HB2 CYS 22 2HB CYS 22 -5.556 -0.230 2.928 145 HB3 CYS 22 1HB CYS 22 -3.850 -0.618 3.128 146 HG CYS 22 HG CYS 22 -5.380 -2.979 3.146 147 H GLY 23 H GLY 23 -2.338 -0.404 5.135 148 HA2 GLY 23 2HA GLY 23 -0.968 1.862 4.032 149 HA3 GLY 23 1HA GLY 23 -0.870 1.786 5.783 150 H GLN 24 H GLN 24 0.913 0.871 6.492 151 HA GLN 24 HA GLN 24 2.578 -0.473 4.536 152 HB2 GLN 24 2HB GLN 24 3.143 0.525 7.336 153 HB3 GLN 24 1HB GLN 24 4.342 -0.238 6.302 154 HG2 GLN 24 2HG GLN 24 4.255 1.543 4.739 155 HG3 GLN 24 1HG GLN 24 2.838 2.243 5.517 156 HE21 GLN 24 1HE2 GLN 24 3.806 1.868 8.203 157 HE22 GLN 24 2HE2 GLN 24 5.083 3.014 8.443 158 H GLY 25 H GLY 25 2.888 -2.563 4.448 159 HA2 GLY 25 2HA GLY 25 3.207 -4.729 5.442 160 HA3 GLY 25 1HA GLY 25 2.130 -4.244 6.751 161 H ASN 26 H ASN 26 0.748 -2.986 4.138 162 HA ASN 26 HA ASN 26 -0.599 -5.459 3.308 163 HB2 ASN 26 2HB ASN 26 -1.858 -2.870 4.178 164 HB3 ASN 26 1HB ASN 26 -2.695 -3.964 3.084 165 HD21 ASN 26 1HD2 ASN 26 -1.560 -3.460 6.322 166 HD22 ASN 26 2HD2 ASN 26 -2.413 -4.780 7.039 167 H LYS 27 H LYS 27 -1.482 -5.442 1.230 168 HA LYS 27 HA LYS 27 -0.658 -3.241 -0.528 169 HB2 LYS 27 2HB LYS 27 0.903 -5.066 -0.897 170 HB3 LYS 27 1HB LYS 27 -0.420 -6.215 -1.053 171 HG2 LYS 27 2HG LYS 27 -0.555 -5.827 -3.224 172 HG3 LYS 27 1HG LYS 27 -0.779 -4.101 -2.940 173 HD2 LYS 27 2HD LYS 27 1.151 -4.409 -4.340 174 HD3 LYS 27 1HD LYS 27 1.688 -3.866 -2.747 175 HE2 LYS 27 2HE LYS 27 3.115 -5.645 -3.608 176 HE3 LYS 27 1HE LYS 27 2.268 -6.152 -2.149 177 HZ1 LYS 27 3HZ LYS 27 0.862 -7.536 -3.365 178 HZ2 LYS 27 1HZ LYS 27 2.377 -7.783 -4.076 179 HZ3 LYS 27 2HZ LYS 27 1.225 -6.801 -4.846 180 H CYS 28 H CYS 28 -2.485 -2.342 -1.233 181 HA CYS 28 HA CYS 28 -4.915 -3.926 -1.323 182 HB2 CYS 28 2HB CYS 28 -4.485 -0.965 -1.743 183 HB3 CYS 28 1HB CYS 28 -6.039 -1.776 -1.583 184 HG CYS 28 HG CYS 28 -3.832 -2.160 0.941 185 H ILE 29 H ILE 29 -5.707 -4.728 -3.113 186 HA ILE 29 HA ILE 29 -4.910 -3.572 -5.685 187 HB ILE 29 HB ILE 29 -5.012 -5.936 -6.593 188 HG12 ILE 29 2HG1 ILE 29 -4.737 -6.629 -3.660 189 HG13 ILE 29 1HG1 ILE 29 -6.178 -6.913 -4.630 190 HG21 ILE 29 1HG2 ILE 29 -2.713 -6.470 -5.860 191 HG22 ILE 29 2HG2 ILE 29 -2.846 -5.227 -4.617 192 HG23 ILE 29 3HG2 ILE 29 -2.909 -4.780 -6.321 193 HD11 ILE 29 3HD1 ILE 29 -4.878 -8.945 -4.351 194 HD12 ILE 29 1HD1 ILE 29 -3.477 -8.160 -5.079 195 HD13 ILE 29 2HD1 ILE 29 -4.923 -8.452 -6.044 196 H LEU 30 H LEU 30 -6.487 -3.373 -7.138 197 HA LEU 30 HA LEU 30 -9.154 -3.327 -6.373 198 HB2 LEU 30 2HB LEU 30 -7.810 -3.251 -9.060 199 HB3 LEU 30 1HB LEU 30 -9.558 -3.239 -8.921 200 HG LEU 30 HG LEU 30 -9.282 -1.190 -7.433 201 HD11 LEU 30 1HD1 LEU 30 -7.257 0.115 -7.725 202 HD12 LEU 30 2HD1 LEU 30 -6.528 -1.209 -8.635 203 HD13 LEU 30 3HD1 LEU 30 -6.922 -1.421 -6.929 204 HD21 LEU 30 3HD2 LEU 30 -8.458 -1.014 -10.326 205 HD22 LEU 30 1HD2 LEU 30 -9.073 0.321 -9.350 206 HD23 LEU 30 2HD2 LEU 30 -10.112 -1.059 -9.712 207 H GLY 31 H GLY 31 -10.562 -4.815 -6.117 208 HA2 GLY 31 2HA GLY 31 -9.990 -7.543 -6.390 209 HA3 GLY 31 1HA GLY 31 -11.540 -6.859 -5.972 210 H ARG 32 H ARG 32 -12.198 -5.460 -8.179 211 HA ARG 32 HA ARG 32 -12.916 -5.502 -10.330 212 HB2 ARG 32 2HB ARG 32 -11.246 -7.978 -10.774 213 HB3 ARG 32 1HB ARG 32 -11.863 -6.873 -11.987 214 HG2 ARG 32 2HG ARG 32 -9.802 -6.176 -9.907 215 HG3 ARG 32 1HG ARG 32 -9.455 -6.599 -11.582 216 HD2 ARG 32 2HD ARG 32 -11.342 -4.364 -10.999 217 HD3 ARG 32 1HD ARG 32 -9.608 -4.094 -10.834 218 HE ARG 32 HE ARG 32 -10.639 -5.209 -13.345 219 HH11 ARG 32 1HH1 ARG 32 -9.266 -2.508 -11.586 220 HH12 ARG 32 2HH1 ARG 32 -8.701 -1.691 -13.010 221 HH21 ARG 32 1HH2 ARG 32 -9.902 -4.136 -15.230 222 HH22 ARG 32 2HH2 ARG 32 -9.098 -2.599 -15.087 223 H GLY 33 H GLY 33 -14.512 -6.567 -11.619 224 HA2 GLY 33 2HA GLY 33 -16.280 -7.980 -12.011 225 HA3 GLY 33 1HA GLY 33 -15.426 -9.194 -11.068 226 H ASP 34 H ASP 34 -16.120 -9.679 -9.094 227 HA ASP 34 HA ASP 34 -18.532 -8.332 -8.137 228 HB2 ASP 34 2HB ASP 34 -17.208 -10.895 -7.204 229 HB3 ASP 34 1HB ASP 34 -18.747 -10.269 -6.618 230 H SER 35 H SER 35 -15.618 -7.479 -7.955 231 HA SER 35 HA SER 35 -15.655 -6.677 -5.145 232 HB2 SER 35 2HB SER 35 -14.262 -8.799 -5.503 233 HB3 SER 35 1HB SER 35 -13.182 -7.810 -6.467 234 HG SER 35 HG SER 35 -13.504 -7.934 -3.733 235 H LYS 36 H LYS 36 -13.840 -4.955 -4.831 236 HA LYS 36 HA LYS 36 -13.147 -3.690 -7.362 237 HB2 LYS 36 2HB LYS 36 -13.720 -1.450 -6.401 238 HB3 LYS 36 1HB LYS 36 -15.074 -2.472 -6.839 239 HG2 LYS 36 2HG LYS 36 -15.732 -1.533 -4.826 240 HG3 LYS 36 1HG LYS 36 -15.125 -3.119 -4.350 241 HD2 LYS 36 2HD LYS 36 -13.071 -2.179 -3.583 242 HD3 LYS 36 1HD LYS 36 -13.466 -0.610 -4.277 243 HE2 LYS 36 2HE LYS 36 -15.382 -0.450 -2.714 244 HE3 LYS 36 1HE LYS 36 -14.876 -1.973 -1.985 245 HZ1 LYS 36 3HZ LYS 36 -14.132 0.125 -0.835 246 HZ2 LYS 36 1HZ LYS 36 -13.095 0.391 -2.146 247 HZ3 LYS 36 2HZ LYS 36 -12.906 -0.991 -1.181 248 H ASN 37 H ASN 37 -12.518 -4.008 -3.925 249 HA ASN 37 HA ASN 37 -9.717 -3.673 -4.456 250 HB2 ASN 37 2HB ASN 37 -11.210 -1.476 -3.417 251 HB3 ASN 37 1HB ASN 37 -10.164 -2.087 -2.134 252 HD21 ASN 37 1HD2 ASN 37 -7.929 -2.133 -2.465 253 HD22 ASN 37 2HD2 ASN 37 -7.183 -1.138 -3.660 254 H GLN 38 H GLN 38 -8.470 -4.854 -3.054 255 HA GLN 38 HA GLN 38 -9.687 -5.711 -0.538 256 HB2 GLN 38 2HB GLN 38 -10.131 -7.513 -2.161 257 HB3 GLN 38 1HB GLN 38 -8.411 -7.624 -2.502 258 HG2 GLN 38 2HG GLN 38 -9.236 -9.387 -0.990 259 HG3 GLN 38 1HG GLN 38 -7.956 -8.403 -0.284 260 HE21 GLN 38 1HE2 GLN 38 -11.354 -9.162 -0.227 261 HE22 GLN 38 2HE2 GLN 38 -11.683 -8.438 1.317 262 H CYS 39 H CYS 39 -8.283 -5.982 1.127 263 HA CYS 39 HA CYS 39 -5.595 -4.957 0.730 264 HB2 CYS 39 2HB CYS 39 -7.145 -5.607 3.229 265 HB3 CYS 39 1HB CYS 39 -5.539 -4.907 3.205 266 HG CYS 39 HG CYS 39 -7.073 -2.781 3.823 267 H VAL 40 H VAL 40 -4.467 -6.686 -0.180 268 HA VAL 40 HA VAL 40 -4.303 -9.158 1.347 269 HB VAL 40 HB VAL 40 -4.286 -8.960 -1.227 270 HG11 VAL 40 1HG1 VAL 40 -2.097 -8.733 -2.271 271 HG12 VAL 40 2HG1 VAL 40 -1.379 -8.359 -0.703 272 HG13 VAL 40 3HG1 VAL 40 -2.559 -7.259 -1.419 273 HG21 VAL 40 3HG2 VAL 40 -2.822 -10.932 -1.444 274 HG22 VAL 40 1HG2 VAL 40 -3.922 -11.057 -0.070 275 HG23 VAL 40 2HG2 VAL 40 -2.226 -10.648 0.193 276 H THR 41 H THR 41 -2.113 -9.940 2.018 277 HA THR 41 HA THR 41 -0.821 -7.736 3.391 278 HB THR 41 HB THR 41 0.500 -9.737 4.433 279 HG1 THR 41 HG1 THR 41 -1.872 -11.084 3.576 280 HG21 THR 41 3HG2 THR 41 -1.091 -8.342 5.646 281 HG22 THR 41 1HG2 THR 41 -1.283 -10.038 6.093 282 HG23 THR 41 2HG2 THR 41 -2.434 -9.280 4.990 283 H GLY 42 H GLY 42 1.080 -6.918 2.925 284 HA2 GLY 42 2HA GLY 42 3.340 -8.206 2.027 285 HA3 GLY 42 1HA GLY 42 2.485 -7.705 0.575 286 H GLU 43 H GLU 43 3.577 -6.021 -0.198 287 HA GLU 43 HA GLU 43 3.829 -3.694 1.557 288 HB2 GLU 43 2HB GLU 43 6.063 -3.205 0.447 289 HB3 GLU 43 1HB GLU 43 6.046 -4.512 1.621 290 HG2 GLU 43 2HG GLU 43 6.033 -6.155 -0.145 291 HG3 GLU 43 1HG GLU 43 5.906 -4.886 -1.363 292 H GLY 44 H GLY 44 2.633 -2.177 0.686 293 HA2 GLY 44 2HA GLY 44 2.260 -2.164 -2.225 294 HA3 GLY 44 1HA GLY 44 1.192 -1.408 -1.051 295 H THR 45 H THR 45 1.213 0.602 -1.970 296 HA THR 45 HA THR 45 3.620 2.177 -1.540 297 HB THR 45 HB THR 45 2.474 3.012 -4.029 298 HG1 THR 45 HG1 THR 45 2.216 0.455 -3.833 299 HG21 THR 45 3HG2 THR 45 5.170 1.817 -3.375 300 HG22 THR 45 1HG2 THR 45 4.739 3.521 -3.234 301 HG23 THR 45 2HG2 THR 45 4.773 2.749 -4.819 302 HA PRO 46 HA PRO 46 0.680 5.283 -0.210 303 HB2 PRO 46 2HB PRO 46 2.523 7.183 -1.573 304 HB3 PRO 46 1HB PRO 46 1.910 7.205 0.085 305 HG2 PRO 46 2HG PRO 46 4.425 6.493 -0.425 306 HG3 PRO 46 1HG PRO 46 3.479 5.673 0.830 307 HD2 PRO 46 2HD PRO 46 4.182 4.749 -1.923 308 HD3 PRO 46 1HD PRO 46 4.066 3.819 -0.415 309 H LYS 47 H LYS 47 -0.924 6.604 -1.166 310 HA LYS 47 HA LYS 47 -1.419 5.817 -3.900 311 HB2 LYS 47 2HB LYS 47 -3.054 5.522 -2.013 312 HB3 LYS 47 1HB LYS 47 -3.205 7.275 -1.961 313 HG2 LYS 47 2HG LYS 47 -3.715 6.950 -4.512 314 HG3 LYS 47 1HG LYS 47 -4.161 5.340 -3.972 315 HD2 LYS 47 2HD LYS 47 -5.967 6.061 -2.823 316 HD3 LYS 47 1HD LYS 47 -5.195 7.580 -2.363 317 HE2 LYS 47 2HE LYS 47 -5.978 7.037 -5.187 318 HE3 LYS 47 1HE LYS 47 -7.167 7.640 -4.033 319 HZ1 LYS 47 3HZ LYS 47 -6.168 9.446 -5.268 320 HZ2 LYS 47 1HZ LYS 47 -4.613 8.971 -4.786 321 HZ3 LYS 47 2HZ LYS 47 -5.720 9.551 -3.641 322 HA PRO 48 HA PRO 48 -0.104 9.897 -5.289 323 HB2 PRO 48 2HB PRO 48 -0.730 9.347 -7.920 324 HB3 PRO 48 1HB PRO 48 0.827 9.021 -7.159 325 HG2 PRO 48 2HG PRO 48 -1.438 7.171 -7.720 326 HG3 PRO 48 1HG PRO 48 0.306 6.864 -7.789 327 HD2 PRO 48 2HD PRO 48 -1.243 6.016 -5.745 328 HD3 PRO 48 1HD PRO 48 0.456 6.480 -5.528 329 H GLN 49 H GLN 49 -1.131 11.589 -6.480 330 HA GLN 49 HA GLN 49 -3.975 11.464 -6.944 331 HB2 GLN 49 2HB GLN 49 -4.190 13.532 -5.312 332 HB3 GLN 49 1HB GLN 49 -4.359 11.887 -4.718 333 HG2 GLN 49 2HG GLN 49 -1.976 11.932 -4.057 334 HG3 GLN 49 1HG GLN 49 -1.909 13.626 -4.538 335 HE21 GLN 49 1HE2 GLN 49 -4.736 12.229 -3.064 336 HE22 GLN 49 2HE2 GLN 49 -4.601 13.064 -1.552 337 H SER 50 H SER 50 -1.190 13.600 -6.449 338 HA SER 50 HA SER 50 -2.038 15.355 -8.576 339 HB2 SER 50 2HB SER 50 0.681 15.278 -7.278 340 HB3 SER 50 1HB SER 50 -0.162 16.663 -7.973 341 HG SER 50 HG SER 50 -0.766 17.006 -5.987 342 H HIS 51 H HIS 51 0.637 13.081 -7.984 343 HA HIS 51 HA HIS 51 1.378 13.177 -10.815 344 HB2 HIS 51 2HB HIS 51 2.617 11.585 -8.577 345 HB3 HIS 51 1HB HIS 51 3.304 11.828 -10.175 346 HD1 HIS 51 HD1 HIS 51 4.847 12.585 -7.599 347 HD2 HIS 51 HD2 HIS 51 2.581 15.236 -9.872 348 HE1 HIS 51 HE1 HIS 51 5.752 14.874 -7.081 349 HE2 HIS 51 HE2 HIS 51 4.439 16.454 -8.542 Start of MODEL 18 1 H1 VAL 1 1H VAL 1 -5.762 15.468 7.907 2 H2 VAL 1 2H VAL 1 -4.783 14.143 7.512 3 H3 VAL 1 3H VAL 1 -4.863 14.686 9.112 4 HA VAL 1 HA VAL 1 -6.139 12.681 8.831 5 HB VAL 1 HB VAL 1 -8.305 13.461 9.707 6 HG11 VAL 1 1HG1 VAL 1 -5.966 15.003 10.818 7 HG12 VAL 1 2HG1 VAL 1 -6.368 13.327 11.194 8 HG13 VAL 1 3HG1 VAL 1 -7.464 14.626 11.669 9 HG21 VAL 1 3HG2 VAL 1 -7.288 16.215 9.009 10 HG22 VAL 1 1HG2 VAL 1 -8.741 15.863 9.948 11 HG23 VAL 1 2HG2 VAL 1 -8.648 15.380 8.252 12 H VAL 2 H VAL 2 -5.753 13.761 6.091 13 HA VAL 2 HA VAL 2 -8.410 13.104 5.002 14 HB VAL 2 HB VAL 2 -6.306 14.917 3.809 15 HG11 VAL 2 1HG1 VAL 2 -7.402 13.585 2.066 16 HG12 VAL 2 2HG1 VAL 2 -7.881 15.279 1.973 17 HG13 VAL 2 3HG1 VAL 2 -8.981 14.091 2.671 18 HG21 VAL 2 3HG2 VAL 2 -9.098 15.461 4.818 19 HG22 VAL 2 1HG2 VAL 2 -8.047 16.636 4.025 20 HG23 VAL 2 2HG2 VAL 2 -7.589 15.958 5.586 21 H TYR 3 H TYR 3 -8.387 11.089 4.357 22 HA TYR 3 HA TYR 3 -6.014 10.042 2.977 23 HB2 TYR 3 2HB TYR 3 -8.393 8.633 4.209 24 HB3 TYR 3 1HB TYR 3 -7.118 7.819 3.311 25 HD1 TYR 3 HD1 TYR 3 -4.881 7.589 4.256 26 HD2 TYR 3 HD2 TYR 3 -8.010 9.455 6.447 27 HE1 TYR 3 HE1 TYR 3 -3.560 7.371 6.314 28 HE2 TYR 3 HE2 TYR 3 -6.697 9.238 8.514 29 HH TYR 3 HH TYR 3 -4.788 7.595 9.314 30 H THR 4 H THR 4 -6.812 8.274 1.277 31 HA THR 4 HA THR 4 -8.955 9.434 -0.344 32 HB THR 4 HB THR 4 -7.453 8.996 -2.376 33 HG1 THR 4 HG1 THR 4 -5.638 8.684 -0.250 34 HG21 THR 4 3HG2 THR 4 -8.056 11.247 -1.642 35 HG22 THR 4 1HG2 THR 4 -6.386 11.203 -2.207 36 HG23 THR 4 2HG2 THR 4 -6.732 11.230 -0.478 37 H ASP 5 H ASP 5 -9.519 7.946 -2.186 38 HA ASP 5 HA ASP 5 -9.753 5.245 -1.114 39 HB2 ASP 5 2HB ASP 5 -10.876 6.361 -3.700 40 HB3 ASP 5 1HB ASP 5 -11.380 4.892 -2.875 41 H CYS 6 H CYS 6 -8.822 3.427 -2.052 42 HA CYS 6 HA CYS 6 -6.483 3.754 -3.563 43 HB2 CYS 6 2HB CYS 6 -8.127 1.233 -3.506 44 HB3 CYS 6 1HB CYS 6 -6.402 1.392 -3.807 45 HG CYS 6 HG CYS 6 -8.077 1.485 -0.853 46 H THR 7 H THR 7 -6.108 3.891 -5.650 47 HA THR 7 HA THR 7 -8.411 3.698 -7.474 48 HB THR 7 HB THR 7 -5.903 5.286 -7.954 49 HG1 THR 7 HG1 THR 7 -8.236 5.953 -6.500 50 HG21 THR 7 3HG2 THR 7 -8.700 5.560 -9.062 51 HG22 THR 7 1HG2 THR 7 -7.351 4.797 -9.902 52 HG23 THR 7 2HG2 THR 7 -7.297 6.519 -9.526 53 H GLU 8 H GLU 8 -5.153 2.723 -6.811 54 HA GLU 8 HA GLU 8 -5.119 1.184 -9.311 55 HB2 GLU 8 2HB GLU 8 -3.322 3.175 -8.527 56 HB3 GLU 8 1HB GLU 8 -2.491 1.670 -8.185 57 HG2 GLU 8 2HG GLU 8 -3.684 2.425 -10.844 58 HG3 GLU 8 1HG GLU 8 -1.976 2.527 -10.414 59 H SER 9 H SER 9 -4.064 -0.833 -9.207 60 HA SER 9 HA SER 9 -4.445 -2.124 -6.632 61 HB2 SER 9 2HB SER 9 -3.823 -3.248 -9.380 62 HB3 SER 9 1HB SER 9 -4.171 -4.214 -7.943 63 HG SER 9 HG SER 9 -5.887 -3.010 -9.649 64 H GLY 10 H GLY 10 -2.790 -2.324 -5.282 65 HA2 GLY 10 2HA GLY 10 -0.451 -3.201 -5.086 66 HA3 GLY 10 1HA GLY 10 -0.061 -2.104 -6.403 67 H GLN 11 H GLN 11 -2.213 -0.370 -4.884 68 HA GLN 11 HA GLN 11 -0.260 1.106 -3.301 69 HB2 GLN 11 2HB GLN 11 -2.925 1.631 -4.451 70 HB3 GLN 11 1HB GLN 11 -2.666 2.358 -2.864 71 HG2 GLN 11 2HG GLN 11 -1.656 4.027 -3.919 72 HG3 GLN 11 1HG GLN 11 -0.343 2.906 -4.275 73 HE21 GLN 11 1HE2 GLN 11 -3.124 4.539 -5.497 74 HE22 GLN 11 2HE2 GLN 11 -2.832 4.213 -7.165 75 H ASN 12 H ASN 12 -1.039 1.898 -1.065 76 HA ASN 12 HA ASN 12 -2.706 -0.103 0.251 77 HB2 ASN 12 2HB ASN 12 -1.020 -0.092 2.179 78 HB3 ASN 12 1HB ASN 12 -0.700 -1.087 0.771 79 HD21 ASN 12 1HD2 ASN 12 1.471 -1.133 1.412 80 HD22 ASN 12 2HD2 ASN 12 2.529 0.201 1.092 81 H LEU 13 H LEU 13 -0.797 2.787 0.950 82 HA LEU 13 HA LEU 13 -2.206 3.629 3.220 83 HB2 LEU 13 2HB LEU 13 -0.517 5.149 1.244 84 HB3 LEU 13 1HB LEU 13 -1.144 5.864 2.715 85 HG LEU 13 HG LEU 13 0.621 3.422 2.738 86 HD11 LEU 13 1HD1 LEU 13 2.479 4.926 3.253 87 HD12 LEU 13 2HD1 LEU 13 1.430 6.318 2.985 88 HD13 LEU 13 3HD1 LEU 13 1.828 5.242 1.645 89 HD21 LEU 13 3HD2 LEU 13 -0.773 3.921 4.733 90 HD22 LEU 13 1HD2 LEU 13 0.028 5.484 4.855 91 HD23 LEU 13 2HD2 LEU 13 0.959 3.999 5.049 92 H CYS 14 H CYS 14 -4.295 3.044 1.858 93 HA CYS 14 HA CYS 14 -5.709 5.541 1.514 94 HB2 CYS 14 2HB CYS 14 -6.669 4.437 -0.715 95 HB3 CYS 14 1HB CYS 14 -5.264 5.492 -0.742 96 HG CYS 14 HG CYS 14 -5.216 2.070 -0.818 97 H LEU 15 H LEU 15 -8.102 5.153 1.440 98 HA LEU 15 HA LEU 15 -8.811 2.890 3.041 99 HB2 LEU 15 2HB LEU 15 -11.233 3.720 2.153 100 HB3 LEU 15 1HB LEU 15 -10.423 4.348 3.566 101 HG LEU 15 HG LEU 15 -9.924 5.691 0.947 102 HD11 LEU 15 1HD1 LEU 15 -12.395 6.068 2.646 103 HD12 LEU 15 2HD1 LEU 15 -12.354 5.408 1.011 104 HD13 LEU 15 3HD1 LEU 15 -11.909 7.091 1.292 105 HD21 LEU 15 3HD2 LEU 15 -9.810 7.656 2.408 106 HD22 LEU 15 1HD2 LEU 15 -8.703 6.389 2.937 107 HD23 LEU 15 2HD2 LEU 15 -10.225 6.644 3.792 108 H CYS 16 H CYS 16 -8.800 0.982 2.297 109 HA CYS 16 HA CYS 16 -9.150 0.433 -0.512 110 HB2 CYS 16 2HB CYS 16 -7.252 -0.510 0.704 111 HB3 CYS 16 1HB CYS 16 -8.350 -1.307 1.816 112 HG CYS 16 HG CYS 16 -7.419 -3.334 0.311 113 H GLU 17 H GLU 17 -10.186 -1.368 2.353 114 HA GLU 17 HA GLU 17 -12.708 -2.045 1.103 115 HB2 GLU 17 2HB GLU 17 -11.422 -3.629 2.586 116 HB3 GLU 17 1HB GLU 17 -11.796 -2.576 3.940 117 HG2 GLU 17 2HG GLU 17 -13.261 -4.556 3.788 118 HG3 GLU 17 1HG GLU 17 -14.135 -3.026 3.734 119 H GLY 18 H GLY 18 -14.751 -1.620 2.263 120 HA2 GLY 18 2HA GLY 18 -15.928 0.594 2.301 121 HA3 GLY 18 1HA GLY 18 -16.055 -0.288 3.804 122 H SER 19 H SER 19 -14.543 0.316 5.541 123 HA SER 19 HA SER 19 -13.641 3.103 5.266 124 HB2 SER 19 2HB SER 19 -14.069 3.208 7.783 125 HB3 SER 19 1HB SER 19 -15.493 3.153 6.745 126 HG SER 19 HG SER 19 -16.044 1.363 7.688 127 H ASN 20 H ASN 20 -12.335 0.313 5.057 128 HA ASN 20 HA ASN 20 -10.384 0.413 7.212 129 HB2 ASN 20 2HB ASN 20 -10.685 -1.446 4.854 130 HB3 ASN 20 1HB ASN 20 -9.417 -1.590 6.059 131 HD21 ASN 20 1HD2 ASN 20 -12.622 -0.594 6.964 132 HD22 ASN 20 2HD2 ASN 20 -13.066 -2.058 7.769 133 H VAL 21 H VAL 21 -8.967 2.046 6.972 134 HA VAL 21 HA VAL 21 -7.807 2.607 4.363 135 HB VAL 21 HB VAL 21 -7.145 3.928 7.005 136 HG11 VAL 21 1HG1 VAL 21 -6.653 4.787 4.160 137 HG12 VAL 21 2HG1 VAL 21 -5.440 4.173 5.282 138 HG13 VAL 21 3HG1 VAL 21 -6.243 5.709 5.607 139 HG21 VAL 21 3HG2 VAL 21 -9.513 4.233 6.493 140 HG22 VAL 21 1HG2 VAL 21 -9.097 4.811 4.879 141 HG23 VAL 21 2HG2 VAL 21 -8.628 5.744 6.298 142 H CYS 22 H CYS 22 -6.319 1.203 3.755 143 HA CYS 22 HA CYS 22 -4.746 -0.248 5.670 144 HB2 CYS 22 2HB CYS 22 -5.398 -0.501 2.847 145 HB3 CYS 22 1HB CYS 22 -3.689 -0.759 3.146 146 HG CYS 22 HG CYS 22 -4.750 -2.480 5.478 147 H GLY 23 H GLY 23 -2.337 -0.509 5.193 148 HA2 GLY 23 2HA GLY 23 -1.035 1.922 4.311 149 HA3 GLY 23 1HA GLY 23 -0.898 1.575 6.031 150 H GLN 24 H GLN 24 1.111 0.844 6.379 151 HA GLN 24 HA GLN 24 2.492 -0.510 4.221 152 HB2 GLN 24 2HB GLN 24 3.394 0.441 6.937 153 HB3 GLN 24 1HB GLN 24 4.451 -0.369 5.789 154 HG2 GLN 24 2HG GLN 24 4.165 1.415 4.197 155 HG3 GLN 24 1HG GLN 24 2.984 2.202 5.243 156 HE21 GLN 24 1HE2 GLN 24 4.459 1.601 7.667 157 HE22 GLN 24 2HE2 GLN 24 5.821 2.669 7.687 158 H GLY 25 H GLY 25 3.339 -2.539 4.278 159 HA2 GLY 25 2HA GLY 25 3.556 -4.737 5.090 160 HA3 GLY 25 1HA GLY 25 2.483 -4.331 6.427 161 H ASN 26 H ASN 26 0.891 -2.978 4.071 162 HA ASN 26 HA ASN 26 -0.450 -5.451 3.209 163 HB2 ASN 26 2HB ASN 26 -1.687 -2.756 3.813 164 HB3 ASN 26 1HB ASN 26 -2.549 -4.130 3.129 165 HD21 ASN 26 1HD2 ASN 26 -0.972 -2.865 5.972 166 HD22 ASN 26 2HD2 ASN 26 -1.659 -3.985 7.090 167 H LYS 27 H LYS 27 -1.541 -5.325 1.155 168 HA LYS 27 HA LYS 27 -0.734 -3.160 -0.617 169 HB2 LYS 27 2HB LYS 27 0.989 -4.851 -0.935 170 HB3 LYS 27 1HB LYS 27 -0.232 -6.090 -1.182 171 HG2 LYS 27 2HG LYS 27 -0.646 -5.453 -3.319 172 HG3 LYS 27 1HG LYS 27 -0.309 -3.751 -2.993 173 HD2 LYS 27 2HD LYS 27 1.400 -4.723 -4.454 174 HD3 LYS 27 1HD LYS 27 2.083 -4.231 -2.903 175 HE2 LYS 27 2HE LYS 27 3.044 -6.313 -3.279 176 HE3 LYS 27 1HE LYS 27 1.706 -6.672 -2.193 177 HZ1 LYS 27 3HZ LYS 27 0.386 -7.293 -4.178 178 HZ2 LYS 27 1HZ LYS 27 1.747 -8.281 -3.937 179 HZ3 LYS 27 2HZ LYS 27 1.774 -7.077 -5.130 180 H CYS 28 H CYS 28 -2.629 -2.410 -1.287 181 HA CYS 28 HA CYS 28 -4.959 -4.136 -1.348 182 HB2 CYS 28 2HB CYS 28 -4.678 -1.158 -1.774 183 HB3 CYS 28 1HB CYS 28 -6.195 -2.036 -1.615 184 HG CYS 28 HG CYS 28 -4.587 -0.587 0.709 185 H ILE 29 H ILE 29 -6.014 -4.759 -3.144 186 HA ILE 29 HA ILE 29 -5.190 -3.612 -5.710 187 HB ILE 29 HB ILE 29 -5.414 -5.926 -6.706 188 HG12 ILE 29 2HG1 ILE 29 -5.112 -6.756 -3.819 189 HG13 ILE 29 1HG1 ILE 29 -6.595 -6.918 -4.754 190 HG21 ILE 29 1HG2 ILE 29 -3.250 -4.799 -6.300 191 HG22 ILE 29 2HG2 ILE 29 -3.141 -6.554 -6.161 192 HG23 ILE 29 3HG2 ILE 29 -3.183 -5.556 -4.707 193 HD11 ILE 29 3HD1 ILE 29 -5.454 -8.442 -6.285 194 HD12 ILE 29 1HD1 ILE 29 -5.409 -9.028 -4.622 195 HD13 ILE 29 2HD1 ILE 29 -3.978 -8.282 -5.334 196 H LEU 30 H LEU 30 -6.753 -3.305 -7.130 197 HA LEU 30 HA LEU 30 -9.494 -3.654 -6.238 198 HB2 LEU 30 2HB LEU 30 -8.305 -1.997 -8.468 199 HB3 LEU 30 1HB LEU 30 -10.021 -2.107 -8.138 200 HG LEU 30 HG LEU 30 -9.445 -1.208 -5.801 201 HD11 LEU 30 1HD1 LEU 30 -7.043 -1.525 -5.887 202 HD12 LEU 30 2HD1 LEU 30 -7.439 0.182 -5.687 203 HD13 LEU 30 3HD1 LEU 30 -6.931 -0.426 -7.263 204 HD21 LEU 30 3HD2 LEU 30 -9.110 0.534 -8.236 205 HD22 LEU 30 1HD2 LEU 30 -9.511 1.099 -6.614 206 HD23 LEU 30 2HD2 LEU 30 -10.640 0.064 -7.491 207 H GLY 31 H GLY 31 -10.170 -5.669 -6.773 208 HA2 GLY 31 2HA GLY 31 -9.665 -6.613 -9.506 209 HA3 GLY 31 1HA GLY 31 -10.228 -7.601 -8.162 210 H ARG 32 H ARG 32 -12.292 -8.098 -8.135 211 HA ARG 32 HA ARG 32 -14.325 -6.292 -9.071 212 HB2 ARG 32 2HB ARG 32 -15.316 -7.962 -10.668 213 HB3 ARG 32 1HB ARG 32 -13.822 -7.222 -11.222 214 HG2 ARG 32 2HG ARG 32 -13.727 -9.849 -9.809 215 HG3 ARG 32 1HG ARG 32 -14.216 -9.780 -11.503 216 HD2 ARG 32 2HD ARG 32 -12.139 -8.718 -12.108 217 HD3 ARG 32 1HD ARG 32 -11.665 -8.602 -10.415 218 HE ARG 32 HE ARG 32 -12.132 -11.298 -11.046 219 HH11 ARG 32 1HH1 ARG 32 -9.894 -8.732 -11.884 220 HH12 ARG 32 2HH1 ARG 32 -8.520 -9.792 -12.031 221 HH21 ARG 32 1HH2 ARG 32 -10.343 -12.713 -11.265 222 HH22 ARG 32 2HH2 ARG 32 -8.777 -12.068 -11.674 223 H GLY 33 H GLY 33 -16.521 -7.231 -8.693 224 HA2 GLY 33 2HA GLY 33 -17.970 -8.629 -7.515 225 HA3 GLY 33 1HA GLY 33 -16.601 -9.549 -6.953 226 H ASP 34 H ASP 34 -17.119 -9.590 -4.823 227 HA ASP 34 HA ASP 34 -17.337 -7.085 -3.345 228 HB2 ASP 34 2HB ASP 34 -17.505 -8.472 -1.359 229 HB3 ASP 34 1HB ASP 34 -18.546 -9.170 -2.594 230 H SER 35 H SER 35 -15.108 -8.871 -4.831 231 HA SER 35 HA SER 35 -12.841 -8.246 -3.124 232 HB2 SER 35 2HB SER 35 -13.312 -9.864 -5.612 233 HB3 SER 35 1HB SER 35 -11.687 -9.447 -5.117 234 HG SER 35 HG SER 35 -13.394 -10.533 -3.191 235 H LYS 36 H LYS 36 -14.419 -6.135 -4.334 236 HA LYS 36 HA LYS 36 -13.281 -5.192 -6.725 237 HB2 LYS 36 2HB LYS 36 -14.401 -3.003 -6.075 238 HB3 LYS 36 1HB LYS 36 -15.436 -4.405 -6.255 239 HG2 LYS 36 2HG LYS 36 -16.238 -3.300 -4.366 240 HG3 LYS 36 1HG LYS 36 -15.297 -4.640 -3.721 241 HD2 LYS 36 2HD LYS 36 -13.439 -3.155 -3.265 242 HD3 LYS 36 1HD LYS 36 -14.302 -1.811 -4.011 243 HE2 LYS 36 2HE LYS 36 -14.397 -1.737 -1.556 244 HE3 LYS 36 1HE LYS 36 -15.995 -1.893 -2.281 245 HZ1 LYS 36 3HZ LYS 36 -15.461 -3.347 -0.286 246 HZ2 LYS 36 1HZ LYS 36 -14.479 -4.249 -1.330 247 HZ3 LYS 36 2HZ LYS 36 -16.144 -4.122 -1.636 248 H ASN 37 H ASN 37 -12.383 -4.741 -3.403 249 HA ASN 37 HA ASN 37 -9.844 -3.652 -4.196 250 HB2 ASN 37 2HB ASN 37 -11.695 -1.755 -3.753 251 HB3 ASN 37 1HB ASN 37 -11.221 -2.052 -2.085 252 HD21 ASN 37 1HD2 ASN 37 -8.448 -2.739 -2.971 253 HD22 ASN 37 2HD2 ASN 37 -7.710 -1.217 -3.304 254 H GLN 38 H GLN 38 -8.815 -5.399 -3.195 255 HA GLN 38 HA GLN 38 -9.666 -5.976 -0.430 256 HB2 GLN 38 2HB GLN 38 -9.872 -7.700 -2.383 257 HB3 GLN 38 1HB GLN 38 -8.160 -7.947 -2.103 258 HG2 GLN 38 2HG GLN 38 -10.170 -8.151 0.113 259 HG3 GLN 38 1HG GLN 38 -9.807 -9.512 -0.944 260 HE21 GLN 38 1HE2 GLN 38 -7.039 -8.966 -1.251 261 HE22 GLN 38 2HE2 GLN 38 -6.279 -9.297 0.270 262 H CYS 39 H CYS 39 -8.224 -6.108 1.176 263 HA CYS 39 HA CYS 39 -5.578 -5.013 0.714 264 HB2 CYS 39 2HB CYS 39 -7.066 -5.674 3.249 265 HB3 CYS 39 1HB CYS 39 -5.472 -4.950 3.200 266 HG CYS 39 HG CYS 39 -6.698 -2.702 3.663 267 H VAL 40 H VAL 40 -4.250 -6.628 -0.068 268 HA VAL 40 HA VAL 40 -4.152 -9.144 1.414 269 HB VAL 40 HB VAL 40 -4.099 -8.823 -1.198 270 HG11 VAL 40 1HG1 VAL 40 -1.181 -8.589 -0.502 271 HG12 VAL 40 2HG1 VAL 40 -2.174 -7.369 -1.301 272 HG13 VAL 40 3HG1 VAL 40 -1.827 -8.895 -2.115 273 HG21 VAL 40 3HG2 VAL 40 -2.893 -10.962 -1.405 274 HG22 VAL 40 1HG2 VAL 40 -4.086 -10.968 -0.105 275 HG23 VAL 40 2HG2 VAL 40 -2.370 -10.802 0.272 276 H THR 41 H THR 41 -2.016 -9.958 2.115 277 HA THR 41 HA THR 41 -0.598 -7.804 3.439 278 HB THR 41 HB THR 41 0.614 -9.678 4.589 279 HG1 THR 41 HG1 THR 41 -0.013 -11.155 2.708 280 HG21 THR 41 3HG2 THR 41 -2.400 -9.755 4.722 281 HG22 THR 41 1HG2 THR 41 -1.357 -8.630 5.594 282 HG23 THR 41 2HG2 THR 41 -1.300 -10.355 5.963 283 H GLY 42 H GLY 42 1.301 -7.023 2.855 284 HA2 GLY 42 2HA GLY 42 3.494 -8.420 1.888 285 HA3 GLY 42 1HA GLY 42 2.614 -7.865 0.469 286 H GLU 43 H GLU 43 3.480 -6.065 -0.332 287 HA GLU 43 HA GLU 43 3.729 -3.786 1.436 288 HB2 GLU 43 2HB GLU 43 5.951 -3.137 0.691 289 HB3 GLU 43 1HB GLU 43 6.017 -4.713 1.462 290 HG2 GLU 43 2HG GLU 43 6.338 -5.818 -0.574 291 HG3 GLU 43 1HG GLU 43 5.836 -4.411 -1.514 292 H GLY 44 H GLY 44 2.884 -2.069 0.479 293 HA2 GLY 44 2HA GLY 44 2.333 -2.313 -2.399 294 HA3 GLY 44 1HA GLY 44 1.285 -1.496 -1.249 295 H THR 45 H THR 45 1.255 0.423 -2.296 296 HA THR 45 HA THR 45 3.732 1.985 -2.260 297 HB THR 45 HB THR 45 2.425 3.021 -4.412 298 HG1 THR 45 HG1 THR 45 1.901 0.240 -4.323 299 HG21 THR 45 3HG2 THR 45 4.816 2.509 -4.301 300 HG22 THR 45 1HG2 THR 45 4.111 1.898 -5.799 301 HG23 THR 45 2HG2 THR 45 4.459 0.790 -4.470 302 HA PRO 46 HA PRO 46 1.074 5.098 -0.415 303 HB2 PRO 46 2HB PRO 46 2.931 7.029 -1.672 304 HB3 PRO 46 1HB PRO 46 2.510 6.830 0.032 305 HG2 PRO 46 2HG PRO 46 4.908 6.085 -0.904 306 HG3 PRO 46 1HG PRO 46 4.077 5.164 0.364 307 HD2 PRO 46 2HD PRO 46 4.322 4.568 -2.560 308 HD3 PRO 46 1HD PRO 46 4.410 3.463 -1.173 309 H LYS 47 H LYS 47 -0.601 6.400 -1.227 310 HA LYS 47 HA LYS 47 -1.052 5.976 -4.061 311 HB2 LYS 47 2HB LYS 47 -2.722 5.607 -2.063 312 HB3 LYS 47 1HB LYS 47 -3.018 7.331 -2.261 313 HG2 LYS 47 2HG LYS 47 -3.330 6.713 -4.760 314 HG3 LYS 47 1HG LYS 47 -3.575 5.086 -4.135 315 HD2 LYS 47 2HD LYS 47 -5.703 5.664 -3.841 316 HD3 LYS 47 1HD LYS 47 -5.136 6.648 -2.489 317 HE2 LYS 47 2HE LYS 47 -5.315 7.622 -5.329 318 HE3 LYS 47 1HE LYS 47 -6.585 7.860 -4.131 319 HZ1 LYS 47 3HZ LYS 47 -3.803 8.895 -3.967 320 HZ2 LYS 47 1HZ LYS 47 -4.997 9.105 -2.778 321 HZ3 LYS 47 2HZ LYS 47 -5.188 9.803 -4.315 322 HA PRO 48 HA PRO 48 0.280 10.233 -4.809 323 HB2 PRO 48 2HB PRO 48 -0.254 9.462 -7.599 324 HB3 PRO 48 1HB PRO 48 1.250 10.020 -6.860 325 HG2 PRO 48 2HG PRO 48 0.946 7.477 -7.641 326 HG3 PRO 48 1HG PRO 48 1.858 7.892 -6.176 327 HD2 PRO 48 2HD PRO 48 -0.962 6.896 -6.431 328 HD3 PRO 48 1HD PRO 48 0.310 6.390 -5.296 329 H GLN 49 H GLN 49 -0.680 11.925 -6.425 330 HA GLN 49 HA GLN 49 -3.563 11.895 -5.884 331 HB2 GLN 49 2HB GLN 49 -3.073 14.497 -6.274 332 HB3 GLN 49 1HB GLN 49 -2.926 13.718 -4.709 333 HG2 GLN 49 2HG GLN 49 -0.583 13.574 -4.885 334 HG3 GLN 49 1HG GLN 49 -0.608 14.013 -6.589 335 HE21 GLN 49 1HE2 GLN 49 -2.571 16.114 -6.224 336 HE22 GLN 49 2HE2 GLN 49 -1.748 17.422 -5.448 337 H SER 50 H SER 50 -1.097 12.654 -8.270 338 HA SER 50 HA SER 50 -3.238 13.055 -10.240 339 HB2 SER 50 2HB SER 50 -0.288 13.679 -10.503 340 HB3 SER 50 1HB SER 50 -1.556 14.109 -11.656 341 HG SER 50 HG SER 50 -2.129 14.945 -9.130 342 H HIS 51 H HIS 51 -0.033 11.495 -10.074 343 HA HIS 51 HA HIS 51 -0.696 9.659 -12.190 344 HB2 HIS 51 2HB HIS 51 1.615 9.812 -10.268 345 HB3 HIS 51 1HB HIS 51 1.457 8.523 -11.453 346 HD1 HIS 51 HD1 HIS 51 1.961 12.271 -11.255 347 HD2 HIS 51 HD2 HIS 51 2.275 9.140 -13.988 348 HE1 HIS 51 HE1 HIS 51 3.081 13.244 -13.289 349 HE2 HIS 51 HE2 HIS 51 3.145 11.368 -14.974 Start of MODEL 19 1 H1 VAL 1 1H VAL 1 -4.416 16.415 3.821 2 H2 VAL 1 2H VAL 1 -3.118 17.109 4.661 3 H3 VAL 1 3H VAL 1 -4.609 16.892 5.436 4 HA VAL 1 HA VAL 1 -2.892 14.705 4.430 5 HB VAL 1 HB VAL 1 -2.475 14.202 6.830 6 HG11 VAL 1 1HG1 VAL 1 -0.834 16.018 7.188 7 HG12 VAL 1 2HG1 VAL 1 -1.567 16.911 5.856 8 HG13 VAL 1 3HG1 VAL 1 -0.782 15.362 5.553 9 HG21 VAL 1 3HG2 VAL 1 -3.749 16.903 7.292 10 HG22 VAL 1 1HG2 VAL 1 -2.874 15.964 8.504 11 HG23 VAL 1 2HG2 VAL 1 -4.377 15.343 7.824 12 H VAL 2 H VAL 2 -5.625 15.024 3.807 13 HA VAL 2 HA VAL 2 -7.114 13.315 5.638 14 HB VAL 2 HB VAL 2 -7.975 14.577 3.020 15 HG11 VAL 2 1HG1 VAL 2 -9.320 12.631 3.636 16 HG12 VAL 2 2HG1 VAL 2 -10.250 14.124 3.758 17 HG13 VAL 2 3HG1 VAL 2 -9.634 13.348 5.217 18 HG21 VAL 2 3HG2 VAL 2 -7.404 16.293 4.629 19 HG22 VAL 2 1HG2 VAL 2 -8.402 15.511 5.854 20 HG23 VAL 2 2HG2 VAL 2 -9.153 16.219 4.425 21 H TYR 3 H TYR 3 -7.925 11.267 5.044 22 HA TYR 3 HA TYR 3 -6.273 9.907 3.072 23 HB2 TYR 3 2HB TYR 3 -8.321 8.846 5.023 24 HB3 TYR 3 1HB TYR 3 -7.410 7.845 3.910 25 HD1 TYR 3 HD2 TYR 3 -6.930 10.263 6.718 26 HD2 TYR 3 HD1 TYR 3 -5.379 6.944 4.553 27 HE1 TYR 3 HE2 TYR 3 -5.135 10.020 8.380 28 HE2 TYR 3 HE1 TYR 3 -3.578 6.697 6.207 29 HH TYR 3 HH TYR 3 -3.614 8.330 9.213 30 H THR 4 H THR 4 -7.191 8.507 1.493 31 HA THR 4 HA THR 4 -9.885 9.174 0.597 32 HB THR 4 HB THR 4 -8.835 9.260 -1.786 33 HG1 THR 4 HG1 THR 4 -6.641 10.540 -1.038 34 HG21 THR 4 3HG2 THR 4 -9.961 11.153 -0.759 35 HG22 THR 4 1HG2 THR 4 -8.504 11.698 -1.587 36 HG23 THR 4 2HG2 THR 4 -8.513 11.538 0.169 37 H ASP 5 H ASP 5 -10.060 7.753 -1.664 38 HA ASP 5 HA ASP 5 -9.851 5.041 -0.619 39 HB2 ASP 5 2HB ASP 5 -11.058 6.033 -3.224 40 HB3 ASP 5 1HB ASP 5 -11.227 4.415 -2.557 41 H CYS 6 H CYS 6 -8.671 3.392 -1.622 42 HA CYS 6 HA CYS 6 -6.327 4.041 -3.012 43 HB2 CYS 6 2HB CYS 6 -7.743 1.387 -3.168 44 HB3 CYS 6 1HB CYS 6 -6.031 1.701 -3.411 45 HG CYS 6 HG CYS 6 -6.535 0.338 -0.958 46 H THR 7 H THR 7 -5.880 4.374 -5.055 47 HA THR 7 HA THR 7 -8.106 4.413 -6.954 48 HB THR 7 HB THR 7 -5.440 5.799 -7.221 49 HG1 THR 7 HG1 THR 7 -7.844 6.751 -5.995 50 HG21 THR 7 3HG2 THR 7 -6.696 7.324 -8.679 51 HG22 THR 7 1HG2 THR 7 -8.155 6.365 -8.420 52 HG23 THR 7 2HG2 THR 7 -6.776 5.664 -9.265 53 H GLU 8 H GLU 8 -5.328 2.642 -6.238 54 HA GLU 8 HA GLU 8 -5.334 1.375 -8.838 55 HB2 GLU 8 2HB GLU 8 -3.368 3.338 -8.057 56 HB3 GLU 8 1HB GLU 8 -2.603 1.786 -8.338 57 HG2 GLU 8 2HG GLU 8 -4.470 3.097 -10.300 58 HG3 GLU 8 1HG GLU 8 -2.723 3.335 -10.311 59 H SER 9 H SER 9 -3.909 -0.507 -8.889 60 HA SER 9 HA SER 9 -4.116 -1.942 -6.380 61 HB2 SER 9 2HB SER 9 -2.980 -2.955 -8.995 62 HB3 SER 9 1HB SER 9 -3.636 -3.907 -7.665 63 HG SER 9 HG SER 9 -4.923 -2.619 -9.721 64 H GLY 10 H GLY 10 -2.469 -2.149 -4.990 65 HA2 GLY 10 2HA GLY 10 -0.072 -2.690 -4.744 66 HA3 GLY 10 1HA GLY 10 0.243 -1.506 -5.999 67 H GLN 11 H GLN 11 -2.122 -0.096 -4.418 68 HA GLN 11 HA GLN 11 -0.301 1.485 -2.776 69 HB2 GLN 11 2HB GLN 11 -3.048 1.832 -3.856 70 HB3 GLN 11 1HB GLN 11 -2.661 2.674 -2.359 71 HG2 GLN 11 2HG GLN 11 -1.760 4.253 -3.572 72 HG3 GLN 11 1HG GLN 11 -0.489 3.132 -4.030 73 HE21 GLN 11 1HE2 GLN 11 -3.375 4.748 -4.965 74 HE22 GLN 11 2HE2 GLN 11 -3.319 4.330 -6.635 75 H ASN 12 H ASN 12 -1.157 2.190 -0.567 76 HA ASN 12 HA ASN 12 -2.766 0.140 0.717 77 HB2 ASN 12 2HB ASN 12 -1.099 0.139 2.662 78 HB3 ASN 12 1HB ASN 12 -0.758 -0.840 1.250 79 HD21 ASN 12 1HD2 ASN 12 1.400 -0.871 2.002 80 HD22 ASN 12 2HD2 ASN 12 2.462 0.460 1.704 81 H LEU 13 H LEU 13 -0.873 3.036 1.487 82 HA LEU 13 HA LEU 13 -2.293 3.804 3.778 83 HB2 LEU 13 2HB LEU 13 -0.613 5.415 1.860 84 HB3 LEU 13 1HB LEU 13 -1.217 6.042 3.382 85 HG LEU 13 HG LEU 13 0.570 3.617 3.190 86 HD11 LEU 13 1HD1 LEU 13 1.739 5.567 2.298 87 HD12 LEU 13 2HD1 LEU 13 2.398 5.093 3.864 88 HD13 LEU 13 3HD1 LEU 13 1.324 6.489 3.745 89 HD21 LEU 13 3HD2 LEU 13 -0.835 3.861 5.222 90 HD22 LEU 13 1HD2 LEU 13 -0.081 5.424 5.516 91 HD23 LEU 13 2HD2 LEU 13 0.894 3.956 5.552 92 H CYS 14 H CYS 14 -4.371 3.277 2.405 93 HA CYS 14 HA CYS 14 -5.795 5.776 2.147 94 HB2 CYS 14 2HB CYS 14 -6.724 4.680 -0.140 95 HB3 CYS 14 1HB CYS 14 -5.407 5.837 -0.109 96 HG CYS 14 HG CYS 14 -4.996 2.442 -0.188 97 H LEU 15 H LEU 15 -8.198 5.343 2.050 98 HA LEU 15 HA LEU 15 -8.842 2.960 3.528 99 HB2 LEU 15 2HB LEU 15 -11.283 3.782 2.837 100 HB3 LEU 15 1HB LEU 15 -10.402 4.445 4.189 101 HG LEU 15 HG LEU 15 -9.995 5.837 1.618 102 HD11 LEU 15 1HD1 LEU 15 -12.615 5.972 3.111 103 HD12 LEU 15 2HD1 LEU 15 -12.386 5.294 1.500 104 HD13 LEU 15 3HD1 LEU 15 -12.126 7.017 1.777 105 HD21 LEU 15 3HD2 LEU 15 -9.016 6.598 3.730 106 HD22 LEU 15 1HD2 LEU 15 -10.631 6.740 4.424 107 HD23 LEU 15 2HD2 LEU 15 -10.153 7.779 3.080 108 H CYS 16 H CYS 16 -8.174 1.344 2.256 109 HA CYS 16 HA CYS 16 -8.868 0.806 -0.375 110 HB2 CYS 16 2HB CYS 16 -7.169 -0.458 0.780 111 HB3 CYS 16 1HB CYS 16 -8.332 -1.025 1.966 112 HG CYS 16 HG CYS 16 -9.739 -2.207 -0.487 113 H GLU 17 H GLU 17 -10.237 -1.039 2.297 114 HA GLU 17 HA GLU 17 -12.767 -1.186 0.877 115 HB2 GLU 17 2HB GLU 17 -11.664 -3.181 1.983 116 HB3 GLU 17 1HB GLU 17 -12.026 -2.437 3.532 117 HG2 GLU 17 2HG GLU 17 -14.365 -2.644 3.175 118 HG3 GLU 17 1HG GLU 17 -14.129 -3.104 1.489 119 H GLY 18 H GLY 18 -14.782 -0.787 2.164 120 HA2 GLY 18 2HA GLY 18 -15.563 1.607 2.537 121 HA3 GLY 18 1HA GLY 18 -15.996 0.459 3.786 122 H SER 19 H SER 19 -14.396 0.300 5.636 123 HA SER 19 HA SER 19 -13.315 2.988 6.173 124 HB2 SER 19 2HB SER 19 -13.680 2.340 8.617 125 HB3 SER 19 1HB SER 19 -15.121 2.681 7.662 126 HG SER 19 HG SER 19 -14.668 0.528 9.044 127 H ASN 20 H ASN 20 -12.287 0.122 5.261 128 HA ASN 20 HA ASN 20 -10.204 -0.349 7.213 129 HB2 ASN 20 2HB ASN 20 -10.710 -1.568 4.501 130 HB3 ASN 20 1HB ASN 20 -9.364 -2.013 5.533 131 HD21 ASN 20 1HD2 ASN 20 -12.553 -1.254 6.755 132 HD22 ASN 20 2HD2 ASN 20 -12.940 -2.853 7.275 133 H VAL 21 H VAL 21 -8.946 1.449 7.280 134 HA VAL 21 HA VAL 21 -7.768 2.475 4.830 135 HB VAL 21 HB VAL 21 -7.246 3.362 7.676 136 HG11 VAL 21 1HG1 VAL 21 -6.610 4.651 5.027 137 HG12 VAL 21 2HG1 VAL 21 -5.454 3.982 6.180 138 HG13 VAL 21 3HG1 VAL 21 -6.397 5.413 6.604 139 HG21 VAL 21 3HG2 VAL 21 -9.149 4.476 5.619 140 HG22 VAL 21 1HG2 VAL 21 -8.755 5.239 7.159 141 HG23 VAL 21 2HG2 VAL 21 -9.583 3.683 7.132 142 H CYS 22 H CYS 22 -6.337 1.073 4.055 143 HA CYS 22 HA CYS 22 -4.753 -0.624 5.695 144 HB2 CYS 22 2HB CYS 22 -5.485 -0.478 2.964 145 HB3 CYS 22 1HB CYS 22 -3.730 -0.459 3.023 146 HG CYS 22 HG CYS 22 -5.866 -2.903 3.978 147 H GLY 23 H GLY 23 -2.377 -0.758 5.538 148 HA2 GLY 23 2HA GLY 23 -1.045 1.809 5.152 149 HA3 GLY 23 1HA GLY 23 -1.003 1.111 6.765 150 H GLN 24 H GLN 24 1.111 0.537 6.969 151 HA GLN 24 HA GLN 24 2.499 -0.535 4.650 152 HB2 GLN 24 2HB GLN 24 3.556 1.215 6.035 153 HB3 GLN 24 1HB GLN 24 3.535 0.124 7.412 154 HG2 GLN 24 2HG GLN 24 5.072 -1.366 6.326 155 HG3 GLN 24 1HG GLN 24 4.998 -0.419 4.840 156 HE21 GLN 24 1HE2 GLN 24 6.064 1.543 4.729 157 HE22 GLN 24 2HE2 GLN 24 7.255 2.024 5.892 158 H GLY 25 H GLY 25 3.243 -2.558 4.447 159 HA2 GLY 25 2HA GLY 25 3.625 -4.794 5.154 160 HA3 GLY 25 1HA GLY 25 2.618 -4.494 6.570 161 H ASN 26 H ASN 26 0.934 -3.038 4.313 162 HA ASN 26 HA ASN 26 -0.457 -5.467 3.397 163 HB2 ASN 26 2HB ASN 26 -1.690 -2.813 4.167 164 HB3 ASN 26 1HB ASN 26 -2.566 -4.205 3.541 165 HD21 ASN 26 1HD2 ASN 26 -0.894 -2.854 6.259 166 HD22 ASN 26 2HD2 ASN 26 -1.439 -4.002 7.434 167 H LYS 27 H LYS 27 -1.536 -5.285 1.370 168 HA LYS 27 HA LYS 27 -0.851 -2.964 -0.270 169 HB2 LYS 27 2HB LYS 27 0.856 -4.577 -0.826 170 HB3 LYS 27 1HB LYS 27 -0.339 -5.853 -1.005 171 HG2 LYS 27 2HG LYS 27 -0.627 -5.355 -3.137 172 HG3 LYS 27 1HG LYS 27 -0.989 -3.675 -2.744 173 HD2 LYS 27 2HD LYS 27 0.887 -3.645 -4.201 174 HD3 LYS 27 1HD LYS 27 1.490 -3.283 -2.585 175 HE2 LYS 27 2HE LYS 27 3.012 -4.801 -3.594 176 HE3 LYS 27 1HE LYS 27 2.113 -5.692 -2.371 177 HZ1 LYS 27 3HZ LYS 27 2.420 -6.865 -4.528 178 HZ2 LYS 27 1HZ LYS 27 1.408 -5.717 -5.254 179 HZ3 LYS 27 2HZ LYS 27 0.805 -6.732 -4.035 180 H CYS 28 H CYS 28 -2.667 -2.194 -1.139 181 HA CYS 28 HA CYS 28 -5.021 -3.895 -1.283 182 HB2 CYS 28 2HB CYS 28 -5.389 -1.694 -0.368 183 HB3 CYS 28 1HB CYS 28 -4.613 -0.936 -1.753 184 HG CYS 28 HG CYS 28 -7.640 -2.516 -1.729 185 H ILE 29 H ILE 29 -5.782 -4.742 -3.116 186 HA ILE 29 HA ILE 29 -4.624 -3.819 -5.639 187 HB ILE 29 HB ILE 29 -5.195 -6.252 -6.397 188 HG12 ILE 29 2HG1 ILE 29 -4.792 -6.577 -3.420 189 HG13 ILE 29 1HG1 ILE 29 -6.290 -6.888 -4.291 190 HG21 ILE 29 1HG2 ILE 29 -2.915 -6.935 -5.865 191 HG22 ILE 29 2HG2 ILE 29 -2.801 -5.656 -4.656 192 HG23 ILE 29 3HG2 ILE 29 -2.958 -5.248 -6.364 193 HD11 ILE 29 3HD1 ILE 29 -3.703 -8.386 -4.649 194 HD12 ILE 29 1HD1 ILE 29 -5.207 -8.703 -5.511 195 HD13 ILE 29 2HD1 ILE 29 -5.120 -8.958 -3.769 196 H LEU 30 H LEU 30 -5.937 -3.528 -7.297 197 HA LEU 30 HA LEU 30 -8.799 -3.427 -6.709 198 HB2 LEU 30 2HB LEU 30 -6.988 -1.394 -7.263 199 HB3 LEU 30 1HB LEU 30 -7.782 -1.653 -8.802 200 HG LEU 30 HG LEU 30 -9.259 -1.094 -6.237 201 HD11 LEU 30 1HD1 LEU 30 -9.527 1.183 -7.092 202 HD12 LEU 30 2HD1 LEU 30 -8.465 0.796 -8.445 203 HD13 LEU 30 3HD1 LEU 30 -7.833 0.795 -6.799 204 HD21 LEU 30 3HD2 LEU 30 -11.115 -0.571 -7.743 205 HD22 LEU 30 1HD2 LEU 30 -10.570 -2.234 -7.965 206 HD23 LEU 30 2HD2 LEU 30 -10.112 -0.993 -9.130 207 H GLY 31 H GLY 31 -9.622 -5.206 -7.772 208 HA2 GLY 31 2HA GLY 31 -9.162 -5.257 -10.677 209 HA3 GLY 31 1HA GLY 31 -9.266 -6.741 -9.738 210 H ARG 32 H ARG 32 -11.142 -7.707 -9.906 211 HA ARG 32 HA ARG 32 -13.627 -6.232 -9.721 212 HB2 ARG 32 2HB ARG 32 -12.800 -7.617 -12.262 213 HB3 ARG 32 1HB ARG 32 -14.491 -7.403 -11.839 214 HG2 ARG 32 2HG ARG 32 -14.169 -4.981 -11.760 215 HG3 ARG 32 1HG ARG 32 -12.474 -5.197 -12.200 216 HD2 ARG 32 2HD ARG 32 -14.843 -6.033 -13.866 217 HD3 ARG 32 1HD ARG 32 -13.876 -4.581 -14.122 218 HE ARG 32 HE ARG 32 -12.112 -6.714 -14.134 219 HH11 ARG 32 1HH1 ARG 32 -14.824 -5.567 -16.022 220 HH12 ARG 32 2HH1 ARG 32 -14.305 -6.352 -17.486 221 HH21 ARG 32 1HH2 ARG 32 -11.401 -7.723 -16.052 222 HH22 ARG 32 2HH2 ARG 32 -12.337 -7.549 -17.510 223 H GLY 33 H GLY 33 -15.401 -8.178 -10.526 224 HA2 GLY 33 2HA GLY 33 -16.426 -10.077 -9.734 225 HA3 GLY 33 1HA GLY 33 -14.818 -10.743 -9.465 226 H ASP 34 H ASP 34 -14.303 -11.156 -7.420 227 HA ASP 34 HA ASP 34 -15.571 -9.508 -5.327 228 HB2 ASP 34 2HB ASP 34 -14.590 -12.361 -5.253 229 HB3 ASP 34 1HB ASP 34 -14.928 -11.439 -3.790 230 H SER 35 H SER 35 -12.939 -9.676 -7.087 231 HA SER 35 HA SER 35 -11.068 -9.031 -4.908 232 HB2 SER 35 2HB SER 35 -10.489 -10.906 -6.538 233 HB3 SER 35 1HB SER 35 -10.382 -9.673 -7.789 234 HG SER 35 HG SER 35 -8.661 -8.758 -6.752 235 H LYS 36 H LYS 36 -13.104 -7.238 -5.875 236 HA LYS 36 HA LYS 36 -12.253 -5.440 -7.851 237 HB2 LYS 36 2HB LYS 36 -13.834 -4.629 -5.425 238 HB3 LYS 36 1HB LYS 36 -13.924 -3.972 -7.048 239 HG2 LYS 36 2HG LYS 36 -15.144 -5.827 -7.837 240 HG3 LYS 36 1HG LYS 36 -14.777 -6.778 -6.394 241 HD2 LYS 36 2HD LYS 36 -16.066 -5.258 -5.023 242 HD3 LYS 36 1HD LYS 36 -16.369 -4.234 -6.419 243 HE2 LYS 36 2HE LYS 36 -17.619 -6.062 -7.476 244 HE3 LYS 36 1HE LYS 36 -17.327 -7.068 -6.056 245 HZ1 LYS 36 3HZ LYS 36 -18.522 -5.434 -4.715 246 HZ2 LYS 36 1HZ LYS 36 -19.507 -6.067 -5.945 247 HZ3 LYS 36 2HZ LYS 36 -18.841 -4.516 -6.105 248 H ASN 37 H ASN 37 -11.930 -5.411 -4.365 249 HA ASN 37 HA ASN 37 -9.674 -3.639 -4.397 250 HB2 ASN 37 2HB ASN 37 -11.468 -2.020 -4.562 251 HB3 ASN 37 1HB ASN 37 -12.372 -2.823 -3.284 252 HD21 ASN 37 1HD2 ASN 37 -9.749 -0.717 -4.046 253 HD22 ASN 37 2HD2 ASN 37 -9.432 -0.211 -2.429 254 H GLN 38 H GLN 38 -8.463 -5.041 -3.176 255 HA GLN 38 HA GLN 38 -9.616 -5.815 -0.583 256 HB2 GLN 38 2HB GLN 38 -9.913 -7.665 -2.215 257 HB3 GLN 38 1HB GLN 38 -8.169 -7.738 -2.406 258 HG2 GLN 38 2HG GLN 38 -9.025 -9.473 -0.904 259 HG3 GLN 38 1HG GLN 38 -7.899 -8.383 -0.097 260 HE21 GLN 38 1HE2 GLN 38 -11.208 -7.498 -0.818 261 HE22 GLN 38 2HE2 GLN 38 -11.753 -7.475 0.822 262 H CYS 39 H CYS 39 -8.231 -6.004 1.110 263 HA CYS 39 HA CYS 39 -5.560 -4.945 0.751 264 HB2 CYS 39 2HB CYS 39 -7.183 -5.604 3.200 265 HB3 CYS 39 1HB CYS 39 -5.538 -4.998 3.261 266 HG CYS 39 HG CYS 39 -7.572 -3.087 1.432 267 H VAL 40 H VAL 40 -4.188 -6.488 0.022 268 HA VAL 40 HA VAL 40 -4.152 -9.091 1.359 269 HB VAL 40 HB VAL 40 -4.000 -8.687 -1.193 270 HG11 VAL 40 1HG1 VAL 40 -1.138 -8.151 -0.433 271 HG12 VAL 40 2HG1 VAL 40 -2.260 -7.015 -1.183 272 HG13 VAL 40 3HG1 VAL 40 -1.726 -8.443 -2.070 273 HG21 VAL 40 3HG2 VAL 40 -2.579 -10.665 -1.486 274 HG22 VAL 40 1HG2 VAL 40 -3.722 -10.872 -0.159 275 HG23 VAL 40 2HG2 VAL 40 -2.030 -10.514 0.183 276 H THR 41 H THR 41 -1.900 -9.907 1.978 277 HA THR 41 HA THR 41 -0.582 -7.776 3.475 278 HB THR 41 HB THR 41 0.593 -9.753 4.588 279 HG1 THR 41 HG1 THR 41 -0.681 -11.744 4.350 280 HG21 THR 41 3HG2 THR 41 -2.409 -9.495 4.814 281 HG22 THR 41 1HG2 THR 41 -1.212 -8.522 5.666 282 HG23 THR 41 2HG2 THR 41 -1.355 -10.247 6.011 283 H GLY 42 H GLY 42 1.156 -6.860 2.667 284 HA2 GLY 42 2HA GLY 42 3.382 -8.294 1.680 285 HA3 GLY 42 1HA GLY 42 2.463 -7.629 0.337 286 H GLU 43 H GLU 43 3.460 -5.859 -0.389 287 HA GLU 43 HA GLU 43 3.998 -3.733 1.531 288 HB2 GLU 43 2HB GLU 43 6.141 -3.314 -0.037 289 HB3 GLU 43 1HB GLU 43 6.202 -4.217 1.465 290 HG2 GLU 43 2HG GLU 43 7.427 -5.420 -0.172 291 HG3 GLU 43 1HG GLU 43 5.943 -6.310 0.150 292 H GLY 44 H GLY 44 2.807 -2.106 0.911 293 HA2 GLY 44 2HA GLY 44 2.114 -1.868 -1.920 294 HA3 GLY 44 1HA GLY 44 1.250 -1.131 -0.578 295 H THR 45 H THR 45 1.266 0.885 -1.522 296 HA THR 45 HA THR 45 3.741 2.384 -1.306 297 HB THR 45 HB THR 45 2.499 3.175 -3.764 298 HG1 THR 45 HG1 THR 45 2.189 0.634 -3.460 299 HG21 THR 45 3HG2 THR 45 5.194 1.943 -3.175 300 HG22 THR 45 1HG2 THR 45 4.807 3.665 -3.155 301 HG23 THR 45 2HG2 THR 45 4.755 2.767 -4.671 302 HA PRO 46 HA PRO 46 0.944 5.665 -0.003 303 HB2 PRO 46 2HB PRO 46 2.892 7.369 -1.487 304 HB3 PRO 46 1HB PRO 46 2.267 7.549 0.158 305 HG2 PRO 46 2HG PRO 46 4.735 6.654 -0.246 306 HG3 PRO 46 1HG PRO 46 3.715 5.949 1.023 307 HD2 PRO 46 2HD PRO 46 4.413 4.861 -1.670 308 HD3 PRO 46 1HD PRO 46 4.225 4.008 -0.124 309 H LYS 47 H LYS 47 -0.578 7.083 -1.041 310 HA LYS 47 HA LYS 47 -1.242 5.919 -3.604 311 HB2 LYS 47 2HB LYS 47 -2.796 6.004 -1.610 312 HB3 LYS 47 1HB LYS 47 -2.949 7.726 -1.901 313 HG2 LYS 47 2HG LYS 47 -3.590 6.961 -4.311 314 HG3 LYS 47 1HG LYS 47 -3.942 5.438 -3.503 315 HD2 LYS 47 2HD LYS 47 -5.981 6.402 -3.240 316 HD3 LYS 47 1HD LYS 47 -5.194 7.102 -1.826 317 HE2 LYS 47 2HE LYS 47 -5.475 8.408 -4.532 318 HE3 LYS 47 1HE LYS 47 -6.423 8.791 -3.097 319 HZ1 LYS 47 3HZ LYS 47 -4.327 9.458 -1.996 320 HZ2 LYS 47 1HZ LYS 47 -4.695 10.404 -3.355 321 HZ3 LYS 47 2HZ LYS 47 -3.504 9.208 -3.453 322 HA PRO 48 HA PRO 48 -0.428 9.771 -5.836 323 HB2 PRO 48 2HB PRO 48 -0.923 8.040 -8.137 324 HB3 PRO 48 1HB PRO 48 0.532 8.953 -7.735 325 HG2 PRO 48 2HG PRO 48 0.440 6.253 -7.641 326 HG3 PRO 48 1HG PRO 48 1.456 7.213 -6.547 327 HD2 PRO 48 2HD PRO 48 -1.209 5.942 -6.036 328 HD3 PRO 48 1HD PRO 48 0.226 6.009 -4.990 329 H GLN 49 H GLN 49 -1.854 10.167 -8.143 330 HA GLN 49 HA GLN 49 -4.616 9.672 -7.780 331 HB2 GLN 49 2HB GLN 49 -5.021 12.189 -7.110 332 HB3 GLN 49 1HB GLN 49 -4.736 10.956 -5.887 333 HG2 GLN 49 2HG GLN 49 -2.230 11.657 -6.215 334 HG3 GLN 49 1HG GLN 49 -2.949 13.141 -6.830 335 HE21 GLN 49 1HE2 GLN 49 -2.178 14.362 -5.087 336 HE22 GLN 49 2HE2 GLN 49 -2.846 14.216 -3.497 337 H SER 50 H SER 50 -2.478 12.368 -8.741 338 HA SER 50 HA SER 50 -3.353 11.978 -11.476 339 HB2 SER 50 2HB SER 50 -3.534 14.678 -10.132 340 HB3 SER 50 1HB SER 50 -3.850 14.350 -11.836 341 HG SER 50 HG SER 50 -5.327 12.671 -10.423 342 H HIS 51 H HIS 51 -1.444 14.234 -9.477 343 HA HIS 51 HA HIS 51 0.857 13.620 -11.213 344 HB2 HIS 51 2HB HIS 51 0.517 16.254 -9.793 345 HB3 HIS 51 1HB HIS 51 1.656 15.850 -11.066 346 HD1 HIS 51 HD1 HIS 51 -1.578 17.379 -10.495 347 HD2 HIS 51 HD2 HIS 51 0.360 15.550 -13.685 348 HE1 HIS 51 HE1 HIS 51 -2.857 18.069 -12.549 349 HE2 HIS 51 HE2 HIS 51 -1.546 17.118 -14.484 Start of MODEL 20 1 H1 VAL 1 1H VAL 1 -5.564 13.825 9.219 2 H2 VAL 1 2H VAL 1 -5.404 15.258 8.328 3 H3 VAL 1 3H VAL 1 -4.067 14.617 9.148 4 HA VAL 1 HA VAL 1 -3.963 14.197 6.759 5 HB VAL 1 HB VAL 1 -4.329 11.752 8.464 6 HG11 VAL 1 1HG1 VAL 1 -2.910 12.046 5.827 7 HG12 VAL 1 2HG1 VAL 1 -4.406 11.159 6.111 8 HG13 VAL 1 3HG1 VAL 1 -2.901 10.605 6.842 9 HG21 VAL 1 3HG2 VAL 1 -2.669 13.308 9.334 10 HG22 VAL 1 1HG2 VAL 1 -1.851 13.313 7.774 11 HG23 VAL 1 2HG2 VAL 1 -1.907 11.834 8.735 12 H VAL 2 H VAL 2 -5.064 13.810 4.912 13 HA VAL 2 HA VAL 2 -7.711 12.529 5.158 14 HB VAL 2 HB VAL 2 -7.044 14.840 3.322 15 HG11 VAL 2 1HG1 VAL 2 -9.658 13.434 3.861 16 HG12 VAL 2 2HG1 VAL 2 -8.699 13.320 2.384 17 HG13 VAL 2 3HG1 VAL 2 -9.444 14.853 2.838 18 HG21 VAL 2 3HG2 VAL 2 -8.565 16.158 4.724 19 HG22 VAL 2 1HG2 VAL 2 -7.164 15.588 5.633 20 HG23 VAL 2 2HG2 VAL 2 -8.725 14.791 5.826 21 H TYR 3 H TYR 3 -7.449 10.589 4.227 22 HA TYR 3 HA TYR 3 -6.075 10.471 1.635 23 HB2 TYR 3 2HB TYR 3 -6.795 8.323 3.627 24 HB3 TYR 3 1HB TYR 3 -6.263 7.951 1.990 25 HD1 TYR 3 HD2 TYR 3 -4.059 9.489 1.367 26 HD2 TYR 3 HD1 TYR 3 -5.152 8.065 5.221 27 HE1 TYR 3 HE2 TYR 3 -1.719 9.674 2.089 28 HE2 TYR 3 HE1 TYR 3 -2.811 8.242 5.955 29 HH TYR 3 HH TYR 3 -0.574 8.319 5.011 30 H THR 4 H THR 4 -7.131 8.659 0.205 31 HA THR 4 HA THR 4 -10.015 9.127 0.093 32 HB THR 4 HB THR 4 -9.722 9.236 -2.440 33 HG1 THR 4 HG1 THR 4 -7.561 10.077 -3.012 34 HG21 THR 4 3HG2 THR 4 -9.139 11.632 -2.420 35 HG22 THR 4 1HG2 THR 4 -8.574 11.472 -0.757 36 HG23 THR 4 2HG2 THR 4 -10.277 11.219 -1.138 37 H ASP 5 H ASP 5 -10.450 7.632 -2.268 38 HA ASP 5 HA ASP 5 -10.070 4.969 -1.162 39 HB2 ASP 5 2HB ASP 5 -11.558 5.800 -3.676 40 HB3 ASP 5 1HB ASP 5 -11.646 4.232 -2.883 41 H CYS 6 H CYS 6 -9.333 3.198 -2.573 42 HA CYS 6 HA CYS 6 -6.798 3.857 -3.631 43 HB2 CYS 6 2HB CYS 6 -8.118 1.234 -4.194 44 HB3 CYS 6 1HB CYS 6 -6.435 1.587 -3.825 45 HG CYS 6 HG CYS 6 -8.580 0.357 -1.848 46 H THR 7 H THR 7 -6.087 4.133 -5.623 47 HA THR 7 HA THR 7 -8.080 4.238 -7.769 48 HB THR 7 HB THR 7 -5.387 5.595 -7.679 49 HG1 THR 7 HG1 THR 7 -7.632 7.160 -7.252 50 HG21 THR 7 3HG2 THR 7 -6.394 5.428 -9.900 51 HG22 THR 7 1HG2 THR 7 -6.383 7.100 -9.341 52 HG23 THR 7 2HG2 THR 7 -7.877 6.164 -9.292 53 H GLU 8 H GLU 8 -5.179 2.685 -6.738 54 HA GLU 8 HA GLU 8 -5.015 1.252 -9.280 55 HB2 GLU 8 2HB GLU 8 -3.108 3.185 -8.332 56 HB3 GLU 8 1HB GLU 8 -2.362 1.597 -8.382 57 HG2 GLU 8 2HG GLU 8 -3.794 2.887 -10.692 58 HG3 GLU 8 1HG GLU 8 -2.049 2.913 -10.443 59 H SER 9 H SER 9 -3.844 -0.736 -9.132 60 HA SER 9 HA SER 9 -4.251 -2.028 -6.565 61 HB2 SER 9 2HB SER 9 -3.379 -3.190 -9.228 62 HB3 SER 9 1HB SER 9 -3.873 -4.109 -7.805 63 HG SER 9 HG SER 9 -5.531 -2.232 -9.162 64 H GLY 10 H GLY 10 -2.665 -2.293 -5.138 65 HA2 GLY 10 2HA GLY 10 -0.325 -3.015 -4.783 66 HA3 GLY 10 1HA GLY 10 0.113 -1.947 -6.113 67 H GLN 11 H GLN 11 -2.222 -0.302 -4.678 68 HA GLN 11 HA GLN 11 -0.382 1.307 -3.083 69 HB2 GLN 11 2HB GLN 11 -3.011 1.699 -4.346 70 HB3 GLN 11 1HB GLN 11 -2.875 2.430 -2.750 71 HG2 GLN 11 2HG GLN 11 -1.886 4.156 -3.708 72 HG3 GLN 11 1HG GLN 11 -0.516 3.109 -4.066 73 HE21 GLN 11 1HE2 GLN 11 -3.343 4.657 -5.318 74 HE22 GLN 11 2HE2 GLN 11 -3.010 4.376 -6.993 75 H ASN 12 H ASN 12 -1.491 2.177 -0.941 76 HA ASN 12 HA ASN 12 -3.105 0.145 0.341 77 HB2 ASN 12 2HB ASN 12 -1.548 0.192 2.361 78 HB3 ASN 12 1HB ASN 12 -1.122 -0.830 1.002 79 HD21 ASN 12 1HD2 ASN 12 1.004 -0.882 1.670 80 HD22 ASN 12 2HD2 ASN 12 2.072 0.465 1.464 81 H LEU 13 H LEU 13 -1.254 3.071 1.093 82 HA LEU 13 HA LEU 13 -2.846 4.007 3.183 83 HB2 LEU 13 2HB LEU 13 -1.103 5.508 1.241 84 HB3 LEU 13 1HB LEU 13 -1.847 6.249 2.644 85 HG LEU 13 HG LEU 13 0.098 3.944 2.769 86 HD11 LEU 13 1HD1 LEU 13 1.690 5.629 3.615 87 HD12 LEU 13 2HD1 LEU 13 0.519 6.895 3.238 88 HD13 LEU 13 3HD1 LEU 13 1.218 5.925 1.942 89 HD21 LEU 13 3HD2 LEU 13 0.187 4.496 5.155 90 HD22 LEU 13 1HD2 LEU 13 -1.437 4.024 4.657 91 HD23 LEU 13 2HD2 LEU 13 -1.056 5.726 4.913 92 H CYS 14 H CYS 14 -4.839 3.334 2.060 93 HA CYS 14 HA CYS 14 -6.305 5.699 1.237 94 HB2 CYS 14 2HB CYS 14 -7.310 4.228 -0.689 95 HB3 CYS 14 1HB CYS 14 -5.820 5.111 -0.951 96 HG CYS 14 HG CYS 14 -5.148 2.120 0.248 97 H LEU 15 H LEU 15 -8.709 5.201 1.185 98 HA LEU 15 HA LEU 15 -9.392 3.381 3.321 99 HB2 LEU 15 2HB LEU 15 -11.572 4.270 1.557 100 HB3 LEU 15 1HB LEU 15 -11.467 4.295 3.304 101 HG LEU 15 HG LEU 15 -10.155 6.331 1.489 102 HD11 LEU 15 1HD1 LEU 15 -12.703 6.507 3.084 103 HD12 LEU 15 2HD1 LEU 15 -12.571 6.484 1.326 104 HD13 LEU 15 3HD1 LEU 15 -11.926 7.846 2.242 105 HD21 LEU 15 3HD2 LEU 15 -10.564 6.290 4.473 106 HD22 LEU 15 1HD2 LEU 15 -9.896 7.632 3.545 107 HD23 LEU 15 2HD2 LEU 15 -9.026 6.101 3.627 108 H CYS 16 H CYS 16 -8.687 1.444 2.555 109 HA CYS 16 HA CYS 16 -9.317 0.470 -0.026 110 HB2 CYS 16 2HB CYS 16 -8.087 -0.721 2.421 111 HB3 CYS 16 1HB CYS 16 -8.300 -1.635 0.939 112 HG CYS 16 HG CYS 16 -6.855 0.850 -0.241 113 H GLU 17 H GLU 17 -9.921 -1.193 3.005 114 HA GLU 17 HA GLU 17 -12.179 -2.567 1.812 115 HB2 GLU 17 2HB GLU 17 -10.372 -3.490 3.456 116 HB3 GLU 17 1HB GLU 17 -11.432 -2.772 4.651 117 HG2 GLU 17 2HG GLU 17 -13.294 -4.127 3.772 118 HG3 GLU 17 1HG GLU 17 -12.155 -4.918 2.681 119 H GLY 18 H GLY 18 -14.098 -1.784 1.960 120 HA2 GLY 18 2HA GLY 18 -15.827 -0.328 2.458 121 HA3 GLY 18 1HA GLY 18 -15.518 -0.865 4.103 122 H SER 19 H SER 19 -14.447 0.452 5.516 123 HA SER 19 HA SER 19 -13.748 3.140 4.541 124 HB2 SER 19 2HB SER 19 -14.211 3.753 6.985 125 HB3 SER 19 1HB SER 19 -15.604 3.418 5.958 126 HG SER 19 HG SER 19 -15.123 2.320 8.225 127 H ASN 20 H ASN 20 -12.347 0.356 5.484 128 HA ASN 20 HA ASN 20 -10.552 1.249 7.523 129 HB2 ASN 20 2HB ASN 20 -10.582 -1.207 5.766 130 HB3 ASN 20 1HB ASN 20 -9.314 -0.901 6.945 131 HD21 ASN 20 1HD2 ASN 20 -12.660 -0.024 7.469 132 HD22 ASN 20 2HD2 ASN 20 -12.965 -1.186 8.709 133 H VAL 21 H VAL 21 -8.796 2.394 7.298 134 HA VAL 21 HA VAL 21 -7.788 3.006 4.630 135 HB VAL 21 HB VAL 21 -6.741 4.051 7.270 136 HG11 VAL 21 1HG1 VAL 21 -6.003 5.956 5.921 137 HG12 VAL 21 2HG1 VAL 21 -6.634 5.171 4.473 138 HG13 VAL 21 3HG1 VAL 21 -5.297 4.439 5.359 139 HG21 VAL 21 3HG2 VAL 21 -8.213 6.017 6.907 140 HG22 VAL 21 1HG2 VAL 21 -9.091 4.531 7.267 141 HG23 VAL 21 2HG2 VAL 21 -9.011 5.126 5.612 142 H CYS 22 H CYS 22 -6.432 1.504 3.847 143 HA CYS 22 HA CYS 22 -4.905 -0.171 5.584 144 HB2 CYS 22 2HB CYS 22 -5.734 -0.294 2.871 145 HB3 CYS 22 1HB CYS 22 -3.979 -0.380 2.890 146 HG CYS 22 HG CYS 22 -5.853 -2.400 4.897 147 H GLY 23 H GLY 23 -2.529 -0.479 5.270 148 HA2 GLY 23 2HA GLY 23 -1.098 1.960 4.561 149 HA3 GLY 23 1HA GLY 23 -1.026 1.453 6.244 150 H GLN 24 H GLN 24 1.094 0.856 6.396 151 HA GLN 24 HA GLN 24 2.284 -0.625 4.200 152 HB2 GLN 24 2HB GLN 24 3.446 0.545 6.729 153 HB3 GLN 24 1HB GLN 24 4.387 -0.370 5.557 154 HG2 GLN 24 2HG GLN 24 3.942 1.261 3.850 155 HG3 GLN 24 1HG GLN 24 2.857 2.143 4.923 156 HE21 GLN 24 1HE2 GLN 24 5.235 3.064 3.548 157 HE22 GLN 24 2HE2 GLN 24 6.295 3.662 4.775 158 H GLY 25 H GLY 25 3.085 -2.672 4.329 159 HA2 GLY 25 2HA GLY 25 3.299 -4.806 5.352 160 HA3 GLY 25 1HA GLY 25 2.235 -4.264 6.649 161 H ASN 26 H ASN 26 0.709 -3.001 4.218 162 HA ASN 26 HA ASN 26 -0.608 -5.465 3.317 163 HB2 ASN 26 2HB ASN 26 -1.929 -2.842 4.042 164 HB3 ASN 26 1HB ASN 26 -2.752 -4.213 3.306 165 HD21 ASN 26 1HD2 ASN 26 -1.307 -2.943 6.190 166 HD22 ASN 26 2HD2 ASN 26 -1.930 -4.137 7.270 167 H LYS 27 H LYS 27 -1.514 -5.393 1.247 168 HA LYS 27 HA LYS 27 -0.805 -3.096 -0.431 169 HB2 LYS 27 2HB LYS 27 0.923 -4.774 -0.803 170 HB3 LYS 27 1HB LYS 27 -0.293 -6.015 -1.065 171 HG2 LYS 27 2HG LYS 27 -0.559 -5.460 -3.208 172 HG3 LYS 27 1HG LYS 27 -0.562 -3.729 -2.859 173 HD2 LYS 27 2HD LYS 27 1.334 -4.361 -4.278 174 HD3 LYS 27 1HD LYS 27 1.870 -3.736 -2.721 175 HE2 LYS 27 2HE LYS 27 3.224 -5.610 -3.139 176 HE3 LYS 27 1HE LYS 27 2.022 -6.155 -1.971 177 HZ1 LYS 27 3HZ LYS 27 0.768 -7.148 -3.796 178 HZ2 LYS 27 1HZ LYS 27 2.338 -7.782 -3.702 179 HZ3 LYS 27 2HZ LYS 27 1.954 -6.646 -4.899 180 H CYS 28 H CYS 28 -2.664 -2.336 -1.224 181 HA CYS 28 HA CYS 28 -4.992 -4.075 -1.274 182 HB2 CYS 28 2HB CYS 28 -5.007 -1.741 -0.291 183 HB3 CYS 28 1HB CYS 28 -4.873 -1.139 -1.940 184 HG CYS 28 HG CYS 28 -7.339 -1.533 -2.692 185 H ILE 29 H ILE 29 -5.900 -4.851 -3.061 186 HA ILE 29 HA ILE 29 -4.958 -3.828 -5.639 187 HB ILE 29 HB ILE 29 -5.130 -6.246 -6.451 188 HG12 ILE 29 2HG1 ILE 29 -4.823 -6.740 -3.485 189 HG13 ILE 29 1HG1 ILE 29 -6.259 -7.110 -4.433 190 HG21 ILE 29 1HG2 ILE 29 -3.027 -5.026 -6.251 191 HG22 ILE 29 2HG2 ILE 29 -2.823 -6.721 -5.807 192 HG23 ILE 29 3HG2 ILE 29 -2.913 -5.484 -4.551 193 HD11 ILE 29 3HD1 ILE 29 -4.946 -8.702 -5.763 194 HD12 ILE 29 1HD1 ILE 29 -4.972 -9.113 -4.049 195 HD13 ILE 29 2HD1 ILE 29 -3.540 -8.361 -4.754 196 H LEU 30 H LEU 30 -6.469 -3.387 -7.016 197 HA LEU 30 HA LEU 30 -9.238 -3.899 -6.450 198 HB2 LEU 30 2HB LEU 30 -7.899 -2.551 -8.805 199 HB3 LEU 30 1HB LEU 30 -9.625 -2.564 -8.490 200 HG LEU 30 HG LEU 30 -7.695 -1.417 -6.502 201 HD11 LEU 30 1HD1 LEU 30 -7.293 -0.283 -8.636 202 HD12 LEU 30 2HD1 LEU 30 -8.093 0.784 -7.484 203 HD13 LEU 30 3HD1 LEU 30 -9.019 0.045 -8.789 204 HD21 LEU 30 3HD2 LEU 30 -9.667 -0.131 -5.823 205 HD22 LEU 30 1HD2 LEU 30 -9.956 -1.868 -5.729 206 HD23 LEU 30 2HD2 LEU 30 -10.617 -0.935 -7.072 207 H GLY 31 H GLY 31 -9.593 -6.062 -6.696 208 HA2 GLY 31 2HA GLY 31 -8.616 -7.440 -9.066 209 HA3 GLY 31 1HA GLY 31 -9.422 -8.175 -7.688 210 H ARG 32 H ARG 32 -11.464 -8.757 -7.918 211 HA ARG 32 HA ARG 32 -13.304 -7.476 -9.684 212 HB2 ARG 32 2HB ARG 32 -13.578 -9.352 -11.256 213 HB3 ARG 32 1HB ARG 32 -11.964 -8.660 -11.360 214 HG2 ARG 32 2HG ARG 32 -11.316 -10.546 -9.704 215 HG3 ARG 32 1HG ARG 32 -12.822 -11.295 -10.240 216 HD2 ARG 32 2HD ARG 32 -11.084 -12.153 -11.616 217 HD3 ARG 32 1HD ARG 32 -12.012 -11.016 -12.593 218 HE ARG 32 HE ARG 32 -9.576 -10.060 -11.269 219 HH11 ARG 32 1HH1 ARG 32 -11.219 -11.000 -14.226 220 HH12 ARG 32 2HH1 ARG 32 -10.050 -10.232 -15.264 221 HH21 ARG 32 1HH2 ARG 32 -8.044 -9.070 -12.627 222 HH22 ARG 32 2HH2 ARG 32 -8.237 -9.136 -14.353 223 H GLY 33 H GLY 33 -15.430 -8.387 -9.511 224 HA2 GLY 33 2HA GLY 33 -17.013 -9.840 -8.531 225 HA3 GLY 33 1HA GLY 33 -15.749 -10.523 -7.536 226 H ASP 34 H ASP 34 -16.796 -10.259 -5.577 227 HA ASP 34 HA ASP 34 -17.243 -7.532 -4.648 228 HB2 ASP 34 2HB ASP 34 -17.817 -8.542 -2.510 229 HB3 ASP 34 1HB ASP 34 -18.657 -9.416 -3.785 230 H SER 35 H SER 35 -14.825 -9.547 -5.345 231 HA SER 35 HA SER 35 -12.895 -8.623 -3.381 232 HB2 SER 35 2HB SER 35 -12.876 -10.622 -5.640 233 HB3 SER 35 1HB SER 35 -11.406 -10.156 -4.811 234 HG SER 35 HG SER 35 -13.645 -11.555 -3.838 235 H LYS 36 H LYS 36 -14.139 -6.746 -5.250 236 HA LYS 36 HA LYS 36 -12.274 -6.272 -7.370 237 HB2 LYS 36 2HB LYS 36 -13.652 -4.202 -7.766 238 HB3 LYS 36 1HB LYS 36 -14.509 -5.726 -7.882 239 HG2 LYS 36 2HG LYS 36 -15.984 -4.346 -6.750 240 HG3 LYS 36 1HG LYS 36 -15.232 -5.274 -5.458 241 HD2 LYS 36 2HD LYS 36 -13.865 -3.448 -4.817 242 HD3 LYS 36 1HD LYS 36 -14.248 -2.558 -6.293 243 HE2 LYS 36 2HE LYS 36 -15.458 -1.639 -4.391 244 HE3 LYS 36 1HE LYS 36 -16.569 -2.336 -5.567 245 HZ1 LYS 36 3HZ LYS 36 -15.674 -3.629 -3.044 246 HZ2 LYS 36 1HZ LYS 36 -16.746 -4.309 -4.177 247 HZ3 LYS 36 2HZ LYS 36 -17.193 -2.919 -3.315 248 H ASN 37 H ASN 37 -12.330 -5.477 -4.129 249 HA ASN 37 HA ASN 37 -9.846 -4.056 -4.417 250 HB2 ASN 37 2HB ASN 37 -11.466 -2.187 -4.428 251 HB3 ASN 37 1HB ASN 37 -12.164 -2.783 -2.926 252 HD21 ASN 37 1HD2 ASN 37 -10.872 -2.756 -1.043 253 HD22 ASN 37 2HD2 ASN 37 -9.588 -1.613 -0.873 254 H GLN 38 H GLN 38 -8.621 -5.375 -3.154 255 HA GLN 38 HA GLN 38 -9.675 -6.029 -0.493 256 HB2 GLN 38 2HB GLN 38 -10.088 -7.957 -1.980 257 HB3 GLN 38 1HB GLN 38 -8.372 -8.027 -2.353 258 HG2 GLN 38 2HG GLN 38 -8.979 -9.712 -0.720 259 HG3 GLN 38 1HG GLN 38 -7.871 -8.532 -0.027 260 HE21 GLN 38 1HE2 GLN 38 -11.280 -7.906 -0.536 261 HE22 GLN 38 2HE2 GLN 38 -11.710 -7.856 1.138 262 H CYS 39 H CYS 39 -8.199 -6.100 1.135 263 HA CYS 39 HA CYS 39 -5.552 -5.079 0.553 264 HB2 CYS 39 2HB CYS 39 -6.987 -5.601 3.151 265 HB3 CYS 39 1HB CYS 39 -5.374 -4.920 3.030 266 HG CYS 39 HG CYS 39 -6.043 -2.484 2.325 267 H VAL 40 H VAL 40 -4.386 -6.788 -0.287 268 HA VAL 40 HA VAL 40 -4.200 -9.246 1.249 269 HB VAL 40 HB VAL 40 -4.235 -9.075 -1.313 270 HG11 VAL 40 1HG1 VAL 40 -1.344 -8.364 -0.864 271 HG12 VAL 40 2HG1 VAL 40 -2.579 -7.325 -1.577 272 HG13 VAL 40 3HG1 VAL 40 -2.072 -8.794 -2.412 273 HG21 VAL 40 3HG2 VAL 40 -2.702 -10.993 -1.555 274 HG22 VAL 40 1HG2 VAL 40 -3.780 -11.148 -0.168 275 HG23 VAL 40 2HG2 VAL 40 -2.096 -10.682 0.073 276 H THR 41 H THR 41 -1.958 -10.018 1.846 277 HA THR 41 HA THR 41 -0.707 -7.816 3.260 278 HB THR 41 HB THR 41 0.602 -9.713 4.358 279 HG1 THR 41 HG1 THR 41 -0.264 -11.786 4.071 280 HG21 THR 41 3HG2 THR 41 -1.272 -10.318 5.811 281 HG22 THR 41 1HG2 THR 41 -2.408 -9.698 4.612 282 HG23 THR 41 2HG2 THR 41 -1.299 -8.597 5.429 283 H GLY 42 H GLY 42 1.132 -6.939 2.801 284 HA2 GLY 42 2HA GLY 42 3.421 -8.072 1.784 285 HA3 GLY 42 1HA GLY 42 2.490 -7.564 0.380 286 H GLU 43 H GLU 43 3.794 -5.916 -0.269 287 HA GLU 43 HA GLU 43 3.893 -3.600 1.533 288 HB2 GLU 43 2HB GLU 43 6.050 -4.805 -0.162 289 HB3 GLU 43 1HB GLU 43 6.068 -3.081 0.183 290 HG2 GLU 43 2HG GLU 43 5.872 -5.131 2.358 291 HG3 GLU 43 1HG GLU 43 7.416 -4.589 1.704 292 H GLY 44 H GLY 44 2.685 -2.038 0.744 293 HA2 GLY 44 2HA GLY 44 2.156 -2.019 -2.141 294 HA3 GLY 44 1HA GLY 44 1.140 -1.290 -0.910 295 H THR 45 H THR 45 1.044 0.706 -1.781 296 HA THR 45 HA THR 45 3.437 2.353 -1.612 297 HB THR 45 HB THR 45 2.273 3.340 -3.896 298 HG1 THR 45 HG1 THR 45 1.763 0.627 -3.742 299 HG21 THR 45 3HG2 THR 45 4.683 3.112 -3.470 300 HG22 THR 45 1HG2 THR 45 4.251 2.492 -5.063 301 HG23 THR 45 2HG2 THR 45 4.561 1.373 -3.735 302 HA PRO 46 HA PRO 46 0.485 5.352 -0.019 303 HB2 PRO 46 2HB PRO 46 2.337 7.303 -1.292 304 HB3 PRO 46 1HB PRO 46 1.752 7.236 0.373 305 HG2 PRO 46 2HG PRO 46 4.251 6.540 -0.212 306 HG3 PRO 46 1HG PRO 46 3.315 5.642 0.997 307 HD2 PRO 46 2HD PRO 46 3.944 4.911 -1.837 308 HD3 PRO 46 1HD PRO 46 3.899 3.880 -0.391 309 H LYS 47 H LYS 47 -1.185 6.580 -0.949 310 HA LYS 47 HA LYS 47 -1.475 6.091 -3.796 311 HB2 LYS 47 2HB LYS 47 -3.253 5.689 -1.914 312 HB3 LYS 47 1HB LYS 47 -3.575 7.408 -2.113 313 HG2 LYS 47 2HG LYS 47 -3.681 6.747 -4.653 314 HG3 LYS 47 1HG LYS 47 -4.049 5.160 -3.983 315 HD2 LYS 47 2HD LYS 47 -6.168 5.907 -3.983 316 HD3 LYS 47 1HD LYS 47 -5.680 6.736 -2.504 317 HE2 LYS 47 2HE LYS 47 -5.551 7.928 -5.271 318 HE3 LYS 47 1HE LYS 47 -6.858 8.203 -4.122 319 HZ1 LYS 47 3HZ LYS 47 -4.016 9.023 -3.845 320 HZ2 LYS 47 1HZ LYS 47 -5.149 9.121 -2.588 321 HZ3 LYS 47 2HZ LYS 47 -5.374 10.025 -3.996 322 HA PRO 48 HA PRO 48 0.045 10.264 -4.536 323 HB2 PRO 48 2HB PRO 48 -0.791 9.570 -7.297 324 HB3 PRO 48 1HB PRO 48 0.773 10.138 -6.703 325 HG2 PRO 48 2HG PRO 48 0.430 7.598 -7.436 326 HG3 PRO 48 1HG PRO 48 1.443 8.023 -6.044 327 HD2 PRO 48 2HD PRO 48 -1.344 6.935 -6.098 328 HD3 PRO 48 1HD PRO 48 -0.001 6.542 -5.006 329 H GLN 49 H GLN 49 -0.823 12.229 -5.252 330 HA GLN 49 HA GLN 49 -3.745 12.232 -5.566 331 HB2 GLN 49 2HB GLN 49 -3.536 14.353 -3.998 332 HB3 GLN 49 1HB GLN 49 -3.726 12.735 -3.356 333 HG2 GLN 49 2HG GLN 49 -1.281 12.592 -3.066 334 HG3 GLN 49 1HG GLN 49 -1.153 14.263 -3.602 335 HE21 GLN 49 1HE2 GLN 49 -0.273 14.931 -1.632 336 HE22 GLN 49 2HE2 GLN 49 -1.237 15.063 -0.202 337 H SER 50 H SER 50 -0.701 13.988 -6.003 338 HA SER 50 HA SER 50 -2.154 15.689 -7.929 339 HB2 SER 50 2HB SER 50 -0.496 17.517 -7.305 340 HB3 SER 50 1HB SER 50 -1.734 17.134 -6.111 341 HG SER 50 HG SER 50 -0.120 15.754 -5.115 342 H HIS 51 H HIS 51 -1.283 16.043 -9.873 343 HA HIS 51 HA HIS 51 1.023 14.481 -10.670 344 HB2 HIS 51 2HB HIS 51 -0.611 16.468 -12.254 345 HB3 HIS 51 1HB HIS 51 0.565 15.344 -12.919 346 HD1 HIS 51 HD1 HIS 51 -2.810 15.672 -13.095 347 HD2 HIS 51 HD2 HIS 51 -0.431 12.539 -11.735 348 HE1 HIS 51 HE1 HIS 51 -4.238 13.607 -13.268 349 HE2 HIS 51 HE2 HIS 51 -2.706 11.704 -12.646
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