NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5857 | 1i2v | 4976 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 HT1 ASP 1 0.034 0.087 -0.198 2 2H ASP 1 HT2 ASP 1 0.774 -1.414 0.205 3 3H ASP 1 HT3 ASP 1 1.253 0.058 0.950 4 HA ASP 1 HA ASP 1 1.468 0.358 -1.820 5 1HB ASP 1 HB1 ASP 1 3.717 0.014 0.233 6 2HB ASP 1 HB2 ASP 1 3.748 0.998 -1.216 7 H LYS 2 HN LYS 2 3.095 -0.755 -3.156 8 HA LYS 2 HA LYS 2 3.547 -3.586 -2.497 9 1HB LYS 2 HB1 LYS 2 1.871 -2.370 -4.609 10 2HB LYS 2 HB2 LYS 2 3.163 -3.276 -5.273 11 1HG LYS 2 HG1 LYS 2 0.960 -4.607 -4.803 12 2HG LYS 2 HG2 LYS 2 2.434 -5.330 -4.188 13 1HD LYS 2 HD1 LYS 2 1.994 -4.526 -1.947 14 2HD LYS 2 HD2 LYS 2 0.631 -3.562 -2.479 15 1HE LYS 2 HE1 LYS 2 -0.594 -5.642 -2.942 16 2HE LYS 2 HE2 LYS 2 0.852 -6.596 -2.612 17 1HZ LYS 2 HZ1 LYS 2 0.369 -6.501 -0.442 18 2HZ LYS 2 HZ2 LYS 2 0.473 -4.808 -0.477 19 3HZ LYS 2 HZ3 LYS 2 -1.013 -5.582 -0.772 20 H LEU 3 HN LEU 3 5.544 -3.317 -1.985 21 HA LEU 3 HA LEU 3 7.507 -1.756 -3.273 22 1HB LEU 3 HB1 LEU 3 7.705 -2.932 -1.019 23 2HB LEU 3 HB2 LEU 3 7.872 -4.451 -1.863 24 HG LEU 3 HG LEU 3 9.878 -2.235 -2.510 25 1HD1 LEU 3 HD1 LEU 3 11.292 -2.969 -0.664 26 2HD1 LEU 3 HD1 LEU 3 9.758 -2.269 -0.083 27 3HD1 LEU 3 HD1 LEU 3 9.982 -4.040 -0.070 28 1HD2 LEU 3 HD2 LEU 3 11.424 -4.092 -2.693 29 2HD2 LEU 3 HD2 LEU 3 10.188 -5.235 -2.062 30 3HD2 LEU 3 HD2 LEU 3 9.979 -4.501 -3.661 31 H ILE 4 HN ILE 4 9.259 -2.552 -4.558 32 HA ILE 4 HA ILE 4 8.587 -4.777 -6.408 33 HB ILE 4 HB ILE 4 9.470 -3.108 -8.253 34 1HG1 ILE 4 HG1 ILE 4 8.855 -1.183 -5.978 35 2HG1 ILE 4 HG1 ILE 4 10.282 -1.316 -6.999 36 1HG2 ILE 4 HG2 ILE 4 6.782 -2.740 -6.906 37 2HG2 ILE 4 HG2 ILE 4 7.162 -2.354 -8.622 38 3HG2 ILE 4 HG2 ILE 4 7.228 -4.035 -8.057 39 1HD1 ILE 4 HD1 ILE 4 8.939 -0.620 -8.945 40 2HD1 ILE 4 HD2 ILE 4 7.505 -0.506 -7.852 41 3HD1 ILE 4 HD3 ILE 4 8.868 0.601 -7.640 42 H GLY 5 HN GLY 5 11.062 -2.503 -5.274 43 1HA GLY 5 HA1 GLY 5 12.975 -4.468 -4.705 44 2HA GLY 5 HA2 GLY 5 13.264 -3.953 -6.370 45 H SER 6 HN SER 6 15.265 -2.994 -5.828 46 HA SER 6 HA SER 6 15.186 -0.765 -3.949 47 1HB SER 6 HB1 SER 6 17.330 -2.488 -5.262 48 2HB SER 6 HB2 SER 6 17.682 -1.040 -4.352 49 HG SER 6 HG SER 6 16.044 -2.014 -2.742 50 H CYS 7 HN CYS 7 16.505 1.113 -4.705 51 HA CYS 7 HA CYS 7 16.179 1.814 -7.555 52 1HB CYS 7 HB1 CYS 7 14.117 2.661 -6.494 53 2HB CYS 7 HB2 CYS 7 15.033 3.399 -5.198 54 H VAL 8 HN VAL 8 18.474 1.080 -6.279 55 HA VAL 8 HA VAL 8 19.954 3.659 -6.019 56 HB VAL 8 HB VAL 8 20.543 0.956 -4.698 57 1HG1 VAL 8 HG1 VAL 8 22.632 2.159 -5.267 58 2HG1 VAL 8 HG1 VAL 8 21.994 3.607 -4.433 59 3HG1 VAL 8 HG1 VAL 8 22.351 2.115 -3.506 60 1HG2 VAL 8 HG2 VAL 8 19.782 3.637 -3.514 61 2HG2 VAL 8 HG2 VAL 8 18.718 2.207 -3.676 62 3HG2 VAL 8 HG2 VAL 8 20.144 2.134 -2.607 63 H TRP 9 HN TRP 9 21.471 3.977 -7.487 64 HA TRP 9 HA TRP 9 21.880 1.968 -9.568 65 1HB TRP 9 HB1 TRP 9 22.285 4.880 -9.353 66 2HB TRP 9 HB2 TRP 9 23.760 4.130 -9.939 67 HD1 TRP 9 HD1 TRP 9 20.367 5.217 -11.214 68 HE1 TRP 9 HE1 TRP 9 20.091 4.195 -13.503 69 HE3 TRP 9 HE3 TRP 9 24.191 1.950 -11.236 70 HZ2 TRP 9 HZ2 TRP 9 21.281 2.224 -15.225 71 HZ3 TRP 9 HZ3 TRP 9 24.624 0.491 -13.183 72 HH2 TRP 9 HH2 TRP 9 23.169 0.629 -15.184 73 H GLY 10 HN GLY 10 22.600 0.468 -8.021 74 1HA GLY 10 HA1 GLY 10 25.010 -0.611 -8.140 75 2HA GLY 10 HA2 GLY 10 25.414 0.750 -7.102 76 H ALA 11 HN ALA 11 22.791 -1.641 -7.273 77 HA ALA 11 HA ALA 11 23.448 -2.704 -4.647 78 1HB ALA 11 HB1 ALA 11 22.136 -0.694 -4.102 79 2HB ALA 11 HB2 ALA 11 20.832 -1.261 -5.190 80 3HB ALA 11 HB3 ALA 11 21.210 -2.171 -3.700 81 H VAL 12 HN VAL 12 21.679 -4.318 -4.060 82 HA VAL 12 HA VAL 12 21.335 -6.115 -6.338 83 HB VAL 12 HB VAL 12 20.218 -6.554 -3.565 84 1HG1 VAL 12 HG1 VAL 12 19.642 -8.295 -5.080 85 2HG1 VAL 12 HG1 VAL 12 21.367 -8.483 -5.569 86 3HG1 VAL 12 HG1 VAL 12 20.830 -8.893 -3.912 87 1HG2 VAL 12 HG2 VAL 12 22.387 -7.546 -2.872 88 2HG2 VAL 12 HG2 VAL 12 23.101 -6.994 -4.419 89 3HG2 VAL 12 HG2 VAL 12 22.538 -5.803 -3.206 90 H ASN 13 HN ASN 13 19.141 -7.227 -6.428 91 HA ASN 13 HA ASN 13 17.012 -6.949 -7.382 92 1HB ASN 13 HB1 ASN 13 15.571 -5.620 -5.379 93 2HB ASN 13 HB2 ASN 13 15.907 -7.331 -5.371 94 1HD2 ASN 13 HD2 ASN 13 16.669 -4.292 -3.622 95 2HD2 ASN 13 HD2 ASN 13 17.683 -5.079 -2.546 96 H TYR 14 HN TYR 14 18.952 -4.945 -7.964 97 HA TYR 14 HA TYR 14 18.053 -2.316 -7.846 98 1HB TYR 14 HB1 TYR 14 20.288 -2.916 -8.733 99 2HB TYR 14 HB2 TYR 14 19.557 -3.745 -10.105 100 HD1 TYR 14 HD1 TYR 14 19.824 -2.522 -12.064 101 HD2 TYR 14 HD2 TYR 14 18.964 -0.408 -8.459 102 HE1 TYR 14 HE1 TYR 14 19.735 -0.430 -13.306 103 HE2 TYR 14 HE2 TYR 14 18.860 1.688 -9.718 104 HH TYR 14 HH TYR 14 19.979 2.457 -12.037 105 H THR 15 HN THR 15 16.561 -1.068 -8.955 106 HA THR 15 HA THR 15 14.615 -2.585 -10.523 107 HB THR 15 HB THR 15 14.618 0.130 -9.162 108 HG1 THR 15 HG1 THR 15 13.976 -1.315 -7.777 109 1HG2 THR 15 HG2 THR 15 13.176 0.233 -11.251 110 2HG2 THR 15 HG2 THR 15 12.320 -1.213 -10.637 111 3HG2 THR 15 HG2 THR 15 12.304 0.306 -9.690 112 H SER 16 HN SER 16 15.811 0.736 -10.961 113 HA SER 16 HA SER 16 16.866 1.727 -12.779 114 1HB SER 16 HB1 SER 16 17.418 -0.972 -13.537 115 2HB SER 16 HB2 SER 16 16.375 -0.405 -14.842 116 HG SER 16 HG SER 16 18.473 1.190 -13.755 117 H ASP 17 HN ASP 17 13.990 -0.198 -13.168 118 HA ASP 17 HA ASP 17 12.701 2.120 -14.472 119 1HB ASP 17 HB1 ASP 17 11.637 0.492 -16.074 120 2HB ASP 17 HB2 ASP 17 13.378 0.660 -16.233 121 H CYS 18 HN CYS 18 12.096 2.267 -12.165 122 HA CYS 18 HA CYS 18 10.552 0.528 -10.639 123 1HB CYS 18 HB1 CYS 18 11.307 3.045 -10.327 124 2HB CYS 18 HB2 CYS 18 9.745 3.458 -10.951 125 H ASN 19 HN ASN 19 8.969 2.956 -12.640 126 HA ASN 19 HA ASN 19 6.437 1.894 -12.741 127 1HB ASN 19 HB1 ASN 19 7.477 3.967 -14.014 128 2HB ASN 19 HB2 ASN 19 7.654 2.844 -15.351 129 1HD2 ASN 19 HD2 ASN 19 5.458 1.316 -15.472 130 2HD2 ASN 19 HD2 ASN 19 4.040 2.244 -15.475 131 H GLY 20 HN GLY 20 9.256 0.790 -14.366 132 1HA GLY 20 HA1 GLY 20 8.009 -1.089 -16.165 133 2HA GLY 20 HA2 GLY 20 9.704 -1.089 -15.698 134 H GLU 21 HN GLU 21 9.866 -1.634 -13.259 135 HA GLU 21 HA GLU 21 9.253 -4.359 -12.895 136 1HB GLU 21 HB1 GLU 21 10.917 -2.813 -11.591 137 2HB GLU 21 HB2 GLU 21 9.563 -2.434 -10.561 138 1HG GLU 21 HG1 GLU 21 10.548 -4.311 -9.413 139 2HG GLU 21 HG2 GLU 21 9.257 -5.028 -10.284 140 H CYS 22 HN CYS 22 7.526 -1.523 -12.057 141 HA CYS 22 HA CYS 22 5.521 -2.798 -10.411 142 1HB CYS 22 HB1 CYS 22 5.899 -0.093 -11.619 143 2HB CYS 22 HB2 CYS 22 4.300 -0.513 -11.157 144 H LEU 23 HN LEU 23 5.711 -1.676 -13.803 145 HA LEU 23 HA LEU 23 3.086 -2.444 -14.495 146 1HB LEU 23 HB1 LEU 23 5.669 -1.831 -15.916 147 2HB LEU 23 HB2 LEU 23 4.411 -2.584 -16.815 148 HG LEU 23 HG LEU 23 4.049 -0.011 -15.230 149 1HD1 LEU 23 HD1 LEU 23 5.676 0.221 -17.111 150 2HD1 LEU 23 HD1 LEU 23 4.461 -0.481 -18.216 151 3HD1 LEU 23 HD1 LEU 23 4.164 1.111 -17.456 152 1HD2 LEU 23 HD2 LEU 23 2.351 -1.308 -17.374 153 2HD2 LEU 23 HD2 LEU 23 1.946 -1.196 -15.634 154 3HD2 LEU 23 HD2 LEU 23 2.039 0.286 -16.616 155 H LEU 24 HN LEU 24 6.136 -4.070 -14.222 156 HA LEU 24 HA LEU 24 5.515 -6.414 -15.693 157 1HB LEU 24 HB1 LEU 24 7.586 -5.357 -13.941 158 2HB LEU 24 HB2 LEU 24 7.240 -6.978 -13.474 159 HG LEU 24 HG LEU 24 7.872 -6.001 -16.300 160 1HD1 LEU 24 HD1 LEU 24 9.799 -5.725 -14.795 161 2HD1 LEU 24 HD1 LEU 24 9.662 -7.436 -14.295 162 3HD1 LEU 24 HD1 LEU 24 10.088 -7.026 -15.983 163 1HD2 LEU 24 HD2 LEU 24 6.604 -8.123 -16.251 164 2HD2 LEU 24 HD2 LEU 24 8.275 -8.384 -16.820 165 3HD2 LEU 24 HD2 LEU 24 7.822 -8.819 -15.143 166 H ARG 25 HN ARG 25 4.767 -5.353 -12.636 167 HA ARG 25 HA ARG 25 3.470 -7.884 -11.747 168 1HB ARG 25 HB1 ARG 25 4.309 -5.357 -10.335 169 2HB ARG 25 HB2 ARG 25 2.959 -6.221 -9.664 170 1HG ARG 25 HG1 ARG 25 4.376 -7.504 -8.473 171 2HG ARG 25 HG2 ARG 25 4.925 -8.231 -9.964 172 1HD ARG 25 HD1 ARG 25 6.083 -5.593 -8.984 173 2HD ARG 25 HD2 ARG 25 6.808 -7.047 -8.390 174 HE ARG 25 HE ARG 25 6.646 -6.134 -11.212 175 1HH1 ARG 25 HH1 ARG 25 9.731 -7.574 -11.679 176 2HH1 ARG 25 HH1 ARG 25 8.942 -6.099 -11.749 177 1HH2 ARG 25 HH2 ARG 25 8.639 -9.373 -10.334 178 2HH2 ARG 25 HH2 ARG 25 7.093 -8.963 -9.678 179 H GLY 26 HN GLY 26 2.623 -5.272 -13.499 180 1HA GLY 26 HA1 GLY 26 0.493 -4.633 -14.305 181 2HA GLY 26 HA2 GLY 26 -0.234 -5.808 -13.209 182 H TYR 27 HN TYR 27 1.997 -3.731 -11.746 183 HA TYR 27 HA TYR 27 -0.095 -2.469 -10.181 184 1HB TYR 27 HB1 TYR 27 2.941 -2.168 -10.180 185 2HB TYR 27 HB2 TYR 27 1.920 -1.345 -9.041 186 HD1 TYR 27 HD1 TYR 27 -0.038 -3.729 -8.471 187 HD2 TYR 27 HD2 TYR 27 4.217 -3.479 -8.685 188 HE1 TYR 27 HE1 TYR 27 0.162 -5.595 -6.938 189 HE2 TYR 27 HE2 TYR 27 4.410 -5.345 -7.144 190 HH TYR 27 HH TYR 27 2.373 -7.487 -6.530 191 H LYS 28 HN LYS 28 0.174 -0.112 -9.699 192 HA LYS 28 HA LYS 28 -0.083 1.312 -12.238 193 1HB LYS 28 HB1 LYS 28 -0.380 2.414 -9.398 194 2HB LYS 28 HB2 LYS 28 -1.034 3.107 -10.854 195 1HG LYS 28 HG1 LYS 28 -2.966 2.058 -10.223 196 2HG LYS 28 HG2 LYS 28 -2.254 0.668 -10.995 197 1HD LYS 28 HD1 LYS 28 -2.288 -0.504 -9.015 198 2HD LYS 28 HD2 LYS 28 -1.257 0.705 -8.262 199 1HE LYS 28 HE1 LYS 28 -3.192 2.118 -7.727 200 2HE LYS 28 HE2 LYS 28 -4.282 1.030 -8.558 201 1HZ LYS 28 HZ1 LYS 28 -2.914 -0.408 -6.407 202 2HZ LYS 28 HZ2 LYS 28 -3.548 1.035 -5.899 203 3HZ LYS 28 HZ3 LYS 28 -4.558 -0.071 -6.658 204 H GLY 29 HN GLY 29 0.987 3.278 -12.618 205 1HA GLY 29 HA1 GLY 29 3.657 3.372 -12.769 206 2HA GLY 29 HA2 GLY 29 2.742 4.852 -12.487 207 H GLY 30 HN GLY 30 4.962 2.659 -11.203 208 1HA GLY 30 HA1 GLY 30 4.630 3.458 -8.410 209 2HA GLY 30 HA2 GLY 30 5.892 2.395 -9.046 210 H HIS 31 HN HIS 31 7.048 3.770 -7.465 211 HA HIS 31 HA HIS 31 8.661 5.690 -8.925 212 1HB HIS 31 HB1 HIS 31 8.175 7.641 -7.314 213 2HB HIS 31 HB2 HIS 31 6.799 7.230 -8.329 214 HD1 HIS 31 HD1 HIS 31 4.699 6.743 -7.001 215 HD2 HIS 31 HD2 HIS 31 8.055 6.158 -4.584 216 HE1 HIS 31 HE1 HIS 31 3.846 6.139 -4.789 217 HE2 HIS 31 HE2 HIS 31 5.863 5.803 -3.371 218 H CYS 32 HN CYS 32 10.239 6.779 -7.349 219 HA CYS 32 HA CYS 32 11.249 4.639 -5.592 220 1HB CYS 32 HB1 CYS 32 12.489 7.198 -6.652 221 2HB CYS 32 HB2 CYS 32 13.295 6.117 -5.555 222 H GLY 33 HN GLY 33 11.788 5.015 -3.462 223 1HA GLY 33 HA1 GLY 33 10.039 6.158 -1.772 224 2HA GLY 33 HA2 GLY 33 11.743 6.080 -1.395 225 H SER 34 HN SER 34 9.558 8.057 -0.924 226 HA SER 34 HA SER 34 10.395 10.475 -2.364 227 1HB SER 34 HB1 SER 34 7.964 9.899 -1.547 228 2HB SER 34 HB2 SER 34 8.529 10.333 0.071 229 HG SER 34 HG SER 34 7.721 12.011 -1.765 230 H PHE 35 HN PHE 35 10.533 9.297 0.980 231 HA PHE 35 HA PHE 35 12.755 11.232 1.466 232 1HB PHE 35 HB1 PHE 35 10.522 11.588 2.754 233 2HB PHE 35 HB2 PHE 35 10.898 10.101 3.612 234 HD1 PHE 35 HD1 PHE 35 12.530 13.329 2.626 235 HD2 PHE 35 HD2 PHE 35 12.205 10.277 5.584 236 HE1 PHE 35 HE1 PHE 35 14.035 14.586 4.094 237 HE2 PHE 35 HE2 PHE 35 13.712 11.542 7.049 238 HZ PHE 35 HZ PHE 35 14.633 13.696 6.307 239 H ALA 36 HN ALA 36 13.049 8.650 0.325 240 HA ALA 36 HA ALA 36 15.070 7.647 1.992 241 1HB ALA 36 HB1 ALA 36 12.588 5.932 1.537 242 2HB ALA 36 HB2 ALA 36 14.094 5.372 2.321 243 3HB ALA 36 HB3 ALA 36 13.094 6.628 3.108 244 H ASN 37 HN ASN 37 15.277 8.631 -0.401 245 HA ASN 37 HA ASN 37 14.930 7.152 -2.717 246 1HB ASN 37 HB1 ASN 37 17.056 8.408 -3.449 247 2HB ASN 37 HB2 ASN 37 15.794 9.442 -2.820 248 1HD2 ASN 37 HD2 ASN 37 19.127 8.669 -2.437 249 2HD2 ASN 37 HD2 ASN 37 19.348 9.460 -0.949 250 H VAL 38 HN VAL 38 15.185 4.976 -2.281 251 HA VAL 38 HA VAL 38 17.801 3.901 -2.687 252 HB VAL 38 HB VAL 38 17.714 4.602 -0.186 253 1HG1 VAL 38 HG1 VAL 38 15.531 3.659 0.414 254 2HG1 VAL 38 HG1 VAL 38 16.162 2.014 0.087 255 3HG1 VAL 38 HG1 VAL 38 16.846 2.992 1.419 256 1HG2 VAL 38 HG2 VAL 38 18.623 1.864 -0.865 257 2HG2 VAL 38 HG2 VAL 38 19.506 3.423 -0.981 258 3HG2 VAL 38 HG2 VAL 38 19.050 2.772 0.615 259 H ASN 39 HN ASN 39 14.564 3.360 -1.516 260 HA ASN 39 HA ASN 39 14.466 0.828 -3.113 261 1HB ASN 39 HB1 ASN 39 13.233 1.450 -0.427 262 2HB ASN 39 HB2 ASN 39 12.363 0.379 -1.478 263 1HD2 ASN 39 HD2 ASN 39 13.927 -0.062 1.126 264 2HD2 ASN 39 HD2 ASN 39 14.983 -1.337 0.753 265 H CYS 40 HN CYS 40 12.594 0.358 -4.258 266 HA CYS 40 HA CYS 40 10.977 2.797 -4.863 267 1HB CYS 40 HB1 CYS 40 12.418 1.007 -6.577 268 2HB CYS 40 HB2 CYS 40 10.742 0.666 -6.846 269 H TRP 41 HN TRP 41 8.798 2.502 -5.257 270 HA TRP 41 HA TRP 41 7.527 0.031 -4.218 271 1HB TRP 41 HB1 TRP 41 6.731 2.799 -3.188 272 2HB TRP 41 HB2 TRP 41 6.118 1.253 -2.646 273 HD1 TRP 41 HD1 TRP 41 9.556 3.201 -2.696 274 HE1 TRP 41 HE1 TRP 41 10.802 2.356 -0.681 275 HE3 TRP 41 HE3 TRP 41 6.314 -0.222 -1.061 276 HZ2 TRP 41 HZ2 TRP 41 10.494 0.409 1.496 277 HZ3 TRP 41 HZ3 TRP 41 6.725 -1.566 0.927 278 HH2 TRP 41 HH2 TRP 41 8.818 -1.260 2.240 279 H CYS 42 HN CYS 42 5.236 -0.125 -4.751 280 HA CYS 42 HA CYS 42 4.760 1.389 -7.255 281 1HB CYS 42 HB1 CYS 42 3.390 -1.038 -6.083 282 2HB CYS 42 HB2 CYS 42 2.805 -0.202 -7.506 283 H GLU 43 HN GLU 43 2.566 2.159 -7.604 284 HA GLU 43 HA GLU 43 1.681 3.684 -5.235 285 1HB GLU 43 HB1 GLU 43 2.405 4.472 -7.786 286 2HB GLU 43 HB2 GLU 43 0.685 4.310 -7.998 287 1HG GLU 43 HG1 GLU 43 0.222 6.177 -6.713 288 2HG GLU 43 HG2 GLU 43 1.517 5.875 -5.571 289 H THR 44 HN THR 44 0.982 1.309 -4.880 290 HA THR 44 HA THR 44 -1.659 0.981 -6.056 291 HB THR 44 HB THR 44 -0.271 -1.078 -5.969 292 HG1 THR 44 HG1 THR 44 -2.520 -0.822 -4.299 293 1HG2 THR 44 HG2 THR 44 0.774 -0.680 -3.685 294 2HG2 THR 44 HG2 THR 44 -0.832 -0.986 -2.961 295 3HG2 THR 44 HG2 THR 44 -0.032 -2.272 -3.902 Start of MODEL 2 1 1H ASP 1 HT1 ASP 1 0.330 0.388 -0.563 2 2H ASP 1 HT2 ASP 1 1.579 -0.667 -0.014 3 3H ASP 1 HT3 ASP 1 1.739 1.010 0.132 4 HA ASP 1 HA ASP 1 1.265 0.399 -2.563 5 1HB ASP 1 HB1 ASP 1 4.089 0.871 -2.075 6 2HB ASP 1 HB2 ASP 1 2.916 1.958 -2.786 7 H LYS 2 HN LYS 2 2.549 -1.009 -3.938 8 HA LYS 2 HA LYS 2 3.480 -3.457 -2.576 9 1HB LYS 2 HB1 LYS 2 1.966 -2.840 -5.031 10 2HB LYS 2 HB2 LYS 2 3.347 -3.806 -5.380 11 1HG LYS 2 HG1 LYS 2 1.291 -4.473 -3.189 12 2HG LYS 2 HG2 LYS 2 1.200 -5.129 -4.807 13 1HD LYS 2 HD1 LYS 2 3.547 -6.097 -4.502 14 2HD LYS 2 HD2 LYS 2 3.515 -5.612 -2.829 15 1HE LYS 2 HE1 LYS 2 1.434 -7.457 -4.104 16 2HE LYS 2 HE2 LYS 2 2.852 -8.044 -3.267 17 1HZ LYS 2 HZ1 LYS 2 0.387 -7.276 -2.140 18 2HZ LYS 2 HZ2 LYS 2 1.757 -7.857 -1.345 19 3HZ LYS 2 HZ3 LYS 2 1.569 -6.185 -1.582 20 H LEU 3 HN LEU 3 5.511 -3.429 -2.202 21 HA LEU 3 HA LEU 3 7.414 -1.751 -3.527 22 1HB LEU 3 HB1 LEU 3 7.468 -2.780 -1.143 23 2HB LEU 3 HB2 LEU 3 8.030 -4.258 -1.894 24 HG LEU 3 HG LEU 3 9.548 -1.736 -2.599 25 1HD1 LEU 3 HD1 LEU 3 9.095 -1.472 -0.236 26 2HD1 LEU 3 HD1 LEU 3 9.757 -3.100 0.093 27 3HD1 LEU 3 HD1 LEU 3 10.820 -1.803 -0.547 28 1HD2 LEU 3 HD2 LEU 3 11.463 -3.177 -2.425 29 2HD2 LEU 3 HD2 LEU 3 10.470 -4.486 -1.699 30 3HD2 LEU 3 HD2 LEU 3 10.246 -4.034 -3.408 31 H ILE 4 HN ILE 4 9.276 -2.531 -4.636 32 HA ILE 4 HA ILE 4 8.825 -5.001 -6.245 33 HB ILE 4 HB ILE 4 9.655 -3.684 -8.308 34 1HG1 ILE 4 HG1 ILE 4 9.023 -1.224 -6.645 35 2HG1 ILE 4 HG1 ILE 4 10.638 -1.762 -7.109 36 1HG2 ILE 4 HG2 ILE 4 7.402 -2.788 -8.726 37 2HG2 ILE 4 HG2 ILE 4 7.188 -4.239 -7.704 38 3HG2 ILE 4 HG2 ILE 4 7.134 -2.631 -6.955 39 1HD1 ILE 4 HD1 ILE 4 9.806 -0.103 -8.668 40 2HD1 ILE 4 HD2 ILE 4 10.109 -1.682 -9.439 41 3HD1 ILE 4 HD3 ILE 4 8.427 -1.142 -9.073 42 H GLY 5 HN GLY 5 11.095 -2.480 -5.241 43 1HA GLY 5 HA1 GLY 5 13.105 -4.288 -4.472 44 2HA GLY 5 HA2 GLY 5 13.451 -3.817 -6.136 45 H SER 6 HN SER 6 15.349 -2.654 -5.592 46 HA SER 6 HA SER 6 14.999 -0.363 -3.797 47 1HB SER 6 HB1 SER 6 17.265 -2.134 -4.680 48 2HB SER 6 HB2 SER 6 17.643 -0.470 -4.339 49 HG SER 6 HG SER 6 16.661 -0.692 -2.322 50 H CYS 7 HN CYS 7 16.480 1.498 -4.579 51 HA CYS 7 HA CYS 7 16.238 2.008 -7.485 52 1HB CYS 7 HB1 CYS 7 14.089 2.830 -6.605 53 2HB CYS 7 HB2 CYS 7 14.908 3.710 -5.330 54 H VAL 8 HN VAL 8 18.515 1.483 -6.216 55 HA VAL 8 HA VAL 8 19.923 4.051 -6.379 56 HB VAL 8 HB VAL 8 19.849 2.252 -3.915 57 1HG1 VAL 8 HG1 VAL 8 21.892 3.277 -3.056 58 2HG1 VAL 8 HG1 VAL 8 22.209 2.277 -4.493 59 3HG1 VAL 8 HG1 VAL 8 22.169 4.062 -4.642 60 1HG2 VAL 8 HG2 VAL 8 18.582 4.422 -4.078 61 2HG2 VAL 8 HG2 VAL 8 19.862 4.546 -2.832 62 3HG2 VAL 8 HG2 VAL 8 20.117 5.252 -4.452 63 H TRP 9 HN TRP 9 21.584 3.854 -7.572 64 HA TRP 9 HA TRP 9 22.414 1.286 -8.673 65 1HB TRP 9 HB1 TRP 9 22.524 4.031 -9.522 66 2HB TRP 9 HB2 TRP 9 24.196 3.573 -9.316 67 HD1 TRP 9 HD1 TRP 9 22.173 3.994 -12.080 68 HE1 TRP 9 HE1 TRP 9 22.560 2.213 -13.812 69 HE3 TRP 9 HE3 TRP 9 24.495 0.453 -9.306 70 HZ2 TRP 9 HZ2 TRP 9 23.665 -0.415 -14.097 71 HZ3 TRP 9 HZ3 TRP 9 25.204 -1.673 -10.305 72 HH2 TRP 9 HH2 TRP 9 24.797 -2.117 -12.706 73 H GLY 10 HN GLY 10 22.776 0.791 -6.271 74 1HA GLY 10 HA1 GLY 10 25.447 0.141 -5.788 75 2HA GLY 10 HA2 GLY 10 25.185 1.681 -4.979 76 H ALA 11 HN ALA 11 22.858 -0.930 -5.405 77 HA ALA 11 HA ALA 11 23.102 -1.821 -2.643 78 1HB ALA 11 HB1 ALA 11 20.594 -0.508 -3.747 79 2HB ALA 11 HB2 ALA 11 20.707 -1.326 -2.162 80 3HB ALA 11 HB3 ALA 11 21.657 0.158 -2.470 81 H VAL 12 HN VAL 12 21.211 -3.420 -2.268 82 HA VAL 12 HA VAL 12 21.412 -5.416 -4.388 83 HB VAL 12 HB VAL 12 19.707 -5.664 -1.900 84 1HG1 VAL 12 HG1 VAL 12 21.300 -7.712 -3.427 85 2HG1 VAL 12 HG1 VAL 12 20.394 -8.002 -1.910 86 3HG1 VAL 12 HG1 VAL 12 19.509 -7.538 -3.371 87 1HG2 VAL 12 HG2 VAL 12 21.680 -6.546 -0.670 88 2HG2 VAL 12 HG2 VAL 12 22.711 -6.107 -2.068 89 3HG2 VAL 12 HG2 VAL 12 21.897 -4.833 -1.111 90 H ASN 13 HN ASN 13 19.357 -6.600 -4.868 91 HA ASN 13 HA ASN 13 17.458 -6.519 -6.270 92 1HB ASN 13 HB1 ASN 13 16.563 -4.941 -3.902 93 2HB ASN 13 HB2 ASN 13 15.466 -5.709 -5.041 94 1HD2 ASN 13 HD2 ASN 13 15.305 -8.079 -4.954 95 2HD2 ASN 13 HD2 ASN 13 15.961 -8.941 -3.643 96 H TYR 14 HN TYR 14 19.454 -4.472 -6.604 97 HA TYR 14 HA TYR 14 18.511 -1.884 -6.969 98 1HB TYR 14 HB1 TYR 14 20.874 -2.101 -7.354 99 2HB TYR 14 HB2 TYR 14 20.677 -3.562 -8.298 100 HD1 TYR 14 HD1 TYR 14 20.108 -3.466 -10.702 101 HD2 TYR 14 HD2 TYR 14 20.593 0.107 -8.452 102 HE1 TYR 14 HE1 TYR 14 20.208 -2.171 -12.769 103 HE2 TYR 14 HE2 TYR 14 20.689 1.397 -10.511 104 HH TYR 14 HH TYR 14 21.015 1.200 -12.692 105 H THR 15 HN THR 15 17.278 -0.850 -8.440 106 HA THR 15 HA THR 15 16.234 -2.442 -10.735 107 HB THR 15 HB THR 15 14.579 -1.967 -8.616 108 HG1 THR 15 HG1 THR 15 13.407 -2.806 -10.245 109 1HG2 THR 15 HG2 THR 15 13.144 -0.114 -9.103 110 2HG2 THR 15 HG2 THR 15 14.774 0.616 -9.012 111 3HG2 THR 15 HG2 THR 15 14.009 0.295 -10.603 112 H SER 16 HN SER 16 15.037 -0.796 -12.131 113 HA SER 16 HA SER 16 16.630 1.691 -12.555 114 1HB SER 16 HB1 SER 16 17.784 -0.101 -13.895 115 2HB SER 16 HB2 SER 16 16.270 -0.438 -14.747 116 HG SER 16 HG SER 16 18.045 1.501 -15.211 117 H ASP 17 HN ASP 17 14.140 -0.290 -14.071 118 HA ASP 17 HA ASP 17 12.557 2.132 -14.685 119 1HB ASP 17 HB1 ASP 17 11.397 0.572 -16.279 120 2HB ASP 17 HB2 ASP 17 13.121 0.644 -16.593 121 H CYS 18 HN CYS 18 12.217 2.116 -12.296 122 HA CYS 18 HA CYS 18 10.843 0.283 -10.741 123 1HB CYS 18 HB1 CYS 18 11.621 2.709 -10.214 124 2HB CYS 18 HB2 CYS 18 10.134 3.276 -10.876 125 H ASN 19 HN ASN 19 9.041 2.843 -12.358 126 HA ASN 19 HA ASN 19 6.502 1.861 -12.373 127 1HB ASN 19 HB1 ASN 19 7.471 4.002 -13.371 128 2HB ASN 19 HB2 ASN 19 7.840 3.078 -14.804 129 1HD2 ASN 19 HD2 ASN 19 6.282 2.950 -16.325 130 2HD2 ASN 19 HD2 ASN 19 4.636 3.291 -16.062 131 H GLY 20 HN GLY 20 9.142 0.866 -14.276 132 1HA GLY 20 HA1 GLY 20 7.747 -0.838 -16.149 133 2HA GLY 20 HA2 GLY 20 9.473 -0.888 -15.829 134 H GLU 21 HN GLU 21 9.823 -1.700 -13.440 135 HA GLU 21 HA GLU 21 9.104 -4.453 -13.402 136 1HB GLU 21 HB1 GLU 21 10.918 -2.926 -11.970 137 2HB GLU 21 HB2 GLU 21 9.711 -3.252 -10.740 138 1HG GLU 21 HG1 GLU 21 9.812 -5.742 -11.532 139 2HG GLU 21 HG2 GLU 21 11.215 -5.289 -12.433 140 H CYS 22 HN CYS 22 7.533 -1.659 -12.114 141 HA CYS 22 HA CYS 22 5.656 -3.135 -10.468 142 1HB CYS 22 HB1 CYS 22 5.978 -0.287 -11.357 143 2HB CYS 22 HB2 CYS 22 4.447 -0.756 -10.741 144 H LEU 23 HN LEU 23 5.620 -1.603 -13.719 145 HA LEU 23 HA LEU 23 2.930 -2.212 -14.295 146 1HB LEU 23 HB1 LEU 23 5.436 -1.578 -15.848 147 2HB LEU 23 HB2 LEU 23 4.039 -2.129 -16.694 148 HG LEU 23 HG LEU 23 4.051 0.299 -14.808 149 1HD1 LEU 23 HD1 LEU 23 5.474 0.623 -16.784 150 2HD1 LEU 23 HD1 LEU 23 4.115 0.117 -17.836 151 3HD1 LEU 23 HD1 LEU 23 3.994 1.627 -16.890 152 1HD2 LEU 23 HD2 LEU 23 1.991 -0.589 -16.836 153 2HD2 LEU 23 HD2 LEU 23 1.816 -0.667 -15.056 154 3HD2 LEU 23 HD2 LEU 23 1.950 0.914 -15.857 155 H LEU 24 HN LEU 24 5.905 -3.979 -14.378 156 HA LEU 24 HA LEU 24 5.110 -6.186 -15.978 157 1HB LEU 24 HB1 LEU 24 7.322 -5.312 -14.318 158 2HB LEU 24 HB2 LEU 24 6.928 -6.920 -13.829 159 HG LEU 24 HG LEU 24 7.299 -5.992 -16.686 160 1HD1 LEU 24 HD1 LEU 24 9.557 -7.010 -16.589 161 2HD1 LEU 24 HD1 LEU 24 9.375 -5.638 -15.462 162 3HD1 LEU 24 HD1 LEU 24 9.327 -7.319 -14.842 163 1HD2 LEU 24 HD2 LEU 24 6.082 -8.146 -16.396 164 2HD2 LEU 24 HD2 LEU 24 7.682 -8.430 -17.137 165 3HD2 LEU 24 HD2 LEU 24 7.432 -8.761 -15.396 166 H ARG 25 HN ARG 25 4.695 -5.404 -12.734 167 HA ARG 25 HA ARG 25 3.380 -7.932 -11.991 168 1HB ARG 25 HB1 ARG 25 4.343 -5.456 -10.556 169 2HB ARG 25 HB2 ARG 25 3.069 -6.373 -9.787 170 1HG ARG 25 HG1 ARG 25 4.459 -8.263 -9.383 171 2HG ARG 25 HG2 ARG 25 5.425 -7.989 -10.810 172 1HD ARG 25 HD1 ARG 25 5.670 -5.920 -8.652 173 2HD ARG 25 HD2 ARG 25 6.490 -7.406 -8.284 174 HE ARG 25 HE ARG 25 6.927 -6.035 -10.864 175 1HH1 ARG 25 HH1 ARG 25 10.106 -7.627 -10.130 176 2HH1 ARG 25 HH1 ARG 25 8.692 -8.237 -10.950 177 1HH2 ARG 25 HH2 ARG 25 9.982 -5.901 -8.778 178 2HH2 ARG 25 HH2 ARG 25 8.462 -5.100 -8.515 179 H GLY 26 HN GLY 26 2.404 -5.307 -13.621 180 1HA GLY 26 HA1 GLY 26 0.238 -4.843 -14.446 181 2HA GLY 26 HA2 GLY 26 -0.425 -5.997 -13.292 182 H TYR 27 HN TYR 27 1.757 -3.795 -11.947 183 HA TYR 27 HA TYR 27 -0.406 -2.570 -10.415 184 1HB TYR 27 HB1 TYR 27 2.598 -2.069 -10.496 185 2HB TYR 27 HB2 TYR 27 1.536 -1.303 -9.344 186 HD1 TYR 27 HD1 TYR 27 3.921 -3.182 -8.852 187 HD2 TYR 27 HD2 TYR 27 -0.270 -3.913 -8.917 188 HE1 TYR 27 HE1 TYR 27 4.212 -5.035 -7.312 189 HE2 TYR 27 HE2 TYR 27 0.015 -5.761 -7.406 190 HH TYR 27 HH TYR 27 1.944 -7.367 -6.813 191 H LYS 28 HN LYS 28 -0.964 -0.488 -10.325 192 HA LYS 28 HA LYS 28 -1.435 0.874 -12.700 193 1HB LYS 28 HB1 LYS 28 -1.069 2.147 -9.929 194 2HB LYS 28 HB2 LYS 28 -1.959 2.834 -11.266 195 1HG LYS 28 HG1 LYS 28 -3.812 1.756 -10.537 196 2HG LYS 28 HG2 LYS 28 -3.104 0.257 -11.062 197 1HD LYS 28 HD1 LYS 28 -3.405 -0.354 -8.804 198 2HD LYS 28 HD2 LYS 28 -1.844 0.397 -8.657 199 1HE LYS 28 HE1 LYS 28 -3.397 1.264 -6.931 200 2HE LYS 28 HE2 LYS 28 -2.848 2.563 -7.993 201 1HZ LYS 28 HZ1 LYS 28 -5.406 1.712 -7.467 202 2HZ LYS 28 HZ2 LYS 28 -4.921 2.941 -8.536 203 3HZ LYS 28 HZ3 LYS 28 -5.127 1.347 -9.100 204 H GLY 29 HN GLY 29 1.248 1.214 -10.474 205 1HA GLY 29 HA1 GLY 29 3.148 1.900 -12.442 206 2HA GLY 29 HA2 GLY 29 2.540 3.399 -11.742 207 H GLY 30 HN GLY 30 4.900 3.479 -11.154 208 1HA GLY 30 HA1 GLY 30 5.161 2.855 -8.360 209 2HA GLY 30 HA2 GLY 30 6.275 1.907 -9.362 210 H HIS 31 HN HIS 31 7.111 3.654 -7.416 211 HA HIS 31 HA HIS 31 8.748 5.469 -9.002 212 1HB HIS 31 HB1 HIS 31 8.046 7.540 -7.974 213 2HB HIS 31 HB2 HIS 31 6.588 6.754 -8.507 214 HD1 HIS 31 HD1 HIS 31 5.138 7.908 -6.830 215 HD2 HIS 31 HD2 HIS 31 8.118 5.844 -4.817 216 HE1 HIS 31 HE1 HIS 31 4.521 7.953 -4.429 217 HE2 HIS 31 HE2 HIS 31 6.349 6.688 -3.282 218 H CYS 32 HN CYS 32 10.323 6.634 -7.559 219 HA CYS 32 HA CYS 32 11.335 4.679 -5.633 220 1HB CYS 32 HB1 CYS 32 12.442 7.312 -6.668 221 2HB CYS 32 HB2 CYS 32 13.288 6.190 -5.622 222 H GLY 33 HN GLY 33 11.749 5.175 -3.479 223 1HA GLY 33 HA1 GLY 33 9.898 6.117 -1.839 224 2HA GLY 33 HA2 GLY 33 11.552 6.466 -1.465 225 H SER 34 HN SER 34 12.416 8.496 -2.184 226 HA SER 34 HA SER 34 10.466 10.552 -3.004 227 1HB SER 34 HB1 SER 34 10.520 10.412 -0.405 228 2HB SER 34 HB2 SER 34 12.193 10.967 -0.486 229 HG SER 34 HG SER 34 10.802 12.553 -2.096 230 H PHE 35 HN PHE 35 13.824 10.020 -1.941 231 HA PHE 35 HA PHE 35 14.942 10.861 -4.432 232 1HB PHE 35 HB1 PHE 35 14.117 13.027 -3.154 233 2HB PHE 35 HB2 PHE 35 15.500 12.753 -2.121 234 HD1 PHE 35 HD1 PHE 35 17.840 12.345 -3.412 235 HD2 PHE 35 HD2 PHE 35 14.444 14.294 -5.114 236 HE1 PHE 35 HE1 PHE 35 19.277 13.402 -5.081 237 HE2 PHE 35 HE2 PHE 35 15.897 15.351 -6.779 238 HZ PHE 35 HZ PHE 35 18.317 14.908 -6.771 239 H ALA 36 HN ALA 36 15.800 8.851 -4.030 240 HA ALA 36 HA ALA 36 17.704 7.579 -3.744 241 1HB ALA 36 HB1 ALA 36 19.603 8.326 -2.458 242 2HB ALA 36 HB2 ALA 36 19.080 9.656 -3.540 243 3HB ALA 36 HB3 ALA 36 18.703 9.696 -1.783 244 H ASN 37 HN ASN 37 15.330 7.441 -2.357 245 HA ASN 37 HA ASN 37 15.565 6.955 0.427 246 1HB ASN 37 HB1 ASN 37 13.417 7.261 -0.715 247 2HB ASN 37 HB2 ASN 37 13.662 5.796 -1.662 248 1HD2 ASN 37 HD2 ASN 37 12.225 4.217 -0.884 249 2HD2 ASN 37 HD2 ASN 37 11.887 4.019 0.783 250 H VAL 38 HN VAL 38 16.244 5.091 -2.356 251 HA VAL 38 HA VAL 38 17.665 3.242 -2.646 252 HB VAL 38 HB VAL 38 18.422 3.873 -0.031 253 1HG1 VAL 38 HG1 VAL 38 17.444 1.010 0.196 254 2HG1 VAL 38 HG1 VAL 38 18.400 1.944 1.390 255 3HG1 VAL 38 HG1 VAL 38 16.715 2.402 1.043 256 1HG2 VAL 38 HG2 VAL 38 20.064 2.068 -0.164 257 2HG2 VAL 38 HG2 VAL 38 19.143 1.356 -1.526 258 3HG2 VAL 38 HG2 VAL 38 19.917 2.966 -1.688 259 H ASN 39 HN ASN 39 14.598 3.505 -1.878 260 HA ASN 39 HA ASN 39 14.052 0.665 -2.389 261 1HB ASN 39 HB1 ASN 39 12.905 2.260 -0.079 262 2HB ASN 39 HB2 ASN 39 12.116 0.873 -0.789 263 1HD2 ASN 39 HD2 ASN 39 12.938 -1.228 -0.151 264 2HD2 ASN 39 HD2 ASN 39 14.326 -1.398 0.810 265 H CYS 40 HN CYS 40 12.522 0.415 -3.896 266 HA CYS 40 HA CYS 40 10.977 2.829 -4.730 267 1HB CYS 40 HB1 CYS 40 12.582 1.026 -6.294 268 2HB CYS 40 HB2 CYS 40 10.930 0.621 -6.647 269 H TRP 41 HN TRP 41 8.862 2.707 -4.781 270 HA TRP 41 HA TRP 41 7.544 0.154 -3.984 271 1HB TRP 41 HB1 TRP 41 6.791 2.955 -3.067 272 2HB TRP 41 HB2 TRP 41 5.930 1.490 -2.683 273 HD1 TRP 41 HD1 TRP 41 9.574 2.902 -2.212 274 HE1 TRP 41 HE1 TRP 41 10.292 2.060 0.044 275 HE3 TRP 41 HE3 TRP 41 5.590 0.122 -0.931 276 HZ2 TRP 41 HZ2 TRP 41 9.370 0.407 2.224 277 HZ3 TRP 41 HZ3 TRP 41 5.485 -1.077 1.182 278 HH2 TRP 41 HH2 TRP 41 7.382 -0.952 2.788 279 H CYS 42 HN CYS 42 5.317 -0.045 -4.746 280 HA CYS 42 HA CYS 42 5.134 1.226 -7.371 281 1HB CYS 42 HB1 CYS 42 3.379 -0.836 -6.046 282 2HB CYS 42 HB2 CYS 42 3.073 -0.160 -7.632 283 H GLU 43 HN GLU 43 3.143 2.288 -7.999 284 HA GLU 43 HA GLU 43 2.196 4.086 -5.849 285 1HB GLU 43 HB1 GLU 43 2.326 4.373 -8.876 286 2HB GLU 43 HB2 GLU 43 1.516 5.528 -7.831 287 1HG GLU 43 HG1 GLU 43 3.584 5.828 -6.504 288 2HG GLU 43 HG2 GLU 43 4.437 4.652 -7.490 289 H THR 44 HN THR 44 1.146 1.905 -5.444 290 HA THR 44 HA THR 44 -1.422 1.822 -6.841 291 HB THR 44 HB THR 44 -0.104 -0.302 -6.645 292 HG1 THR 44 HG1 THR 44 -1.923 -1.348 -6.482 293 1HG2 THR 44 HG2 THR 44 0.757 -0.007 -4.388 294 2HG2 THR 44 HG2 THR 44 -0.896 -0.196 -3.724 295 3HG2 THR 44 HG2 THR 44 -0.103 -1.564 -4.570 Start of MODEL 3 1 1H ASP 1 HT1 ASP 1 0.219 0.943 -0.562 2 2H ASP 1 HT2 ASP 1 1.110 -0.359 0.147 3 3H ASP 1 HT3 ASP 1 1.560 1.290 0.373 4 HA ASP 1 HA ASP 1 1.448 0.862 -2.330 5 1HB ASP 1 HB1 ASP 1 3.869 1.206 -0.492 6 2HB ASP 1 HB2 ASP 1 3.769 1.566 -2.206 7 H LYS 2 HN LYS 2 2.814 -0.420 -3.573 8 HA LYS 2 HA LYS 2 3.284 -3.143 -2.480 9 1HB LYS 2 HB1 LYS 2 1.814 -2.062 -4.785 10 2HB LYS 2 HB2 LYS 2 2.998 -3.216 -5.244 11 1HG LYS 2 HG1 LYS 2 0.616 -4.132 -4.712 12 2HG LYS 2 HG2 LYS 2 1.868 -4.942 -3.791 13 1HD LYS 2 HD1 LYS 2 1.328 -3.761 -1.788 14 2HD LYS 2 HD2 LYS 2 0.472 -2.495 -2.660 15 1HE LYS 2 HE1 LYS 2 -1.370 -4.077 -3.183 16 2HE LYS 2 HE2 LYS 2 -0.482 -5.398 -2.439 17 1HZ LYS 2 HZ1 LYS 2 -2.157 -3.505 -1.192 18 2HZ LYS 2 HZ2 LYS 2 -1.357 -4.827 -0.506 19 3HZ LYS 2 HZ3 LYS 2 -0.579 -3.332 -0.557 20 H LEU 3 HN LEU 3 5.318 -3.148 -2.012 21 HA LEU 3 HA LEU 3 7.400 -1.750 -3.295 22 1HB LEU 3 HB1 LEU 3 7.456 -3.024 -1.033 23 2HB LEU 3 HB2 LEU 3 7.743 -4.480 -1.969 24 HG LEU 3 HG LEU 3 9.554 -2.166 -2.672 25 1HD1 LEU 3 HD1 LEU 3 9.839 -3.599 -0.023 26 2HD1 LEU 3 HD1 LEU 3 10.988 -2.437 -0.771 27 3HD1 LEU 3 HD1 LEU 3 9.360 -1.899 -0.294 28 1HD2 LEU 3 HD2 LEU 3 11.257 -3.842 -2.669 29 2HD2 LEU 3 HD2 LEU 3 10.157 -5.038 -1.906 30 3HD2 LEU 3 HD2 LEU 3 9.862 -4.506 -3.573 31 H ILE 4 HN ILE 4 9.108 -2.639 -4.532 32 HA ILE 4 HA ILE 4 8.349 -4.782 -6.415 33 HB ILE 4 HB ILE 4 9.469 -3.138 -8.152 34 1HG1 ILE 4 HG1 ILE 4 8.430 -1.143 -6.130 35 2HG1 ILE 4 HG1 ILE 4 10.119 -1.492 -6.457 36 1HG2 ILE 4 HG2 ILE 4 7.167 -3.966 -8.115 37 2HG2 ILE 4 HG2 ILE 4 6.692 -2.679 -6.962 38 3HG2 ILE 4 HG2 ILE 4 7.182 -2.275 -8.646 39 1HD1 ILE 4 HD1 ILE 4 8.058 -0.539 -8.493 40 2HD1 ILE 4 HD2 ILE 4 9.288 0.457 -7.713 41 3HD1 ILE 4 HD3 ILE 4 9.796 -0.871 -8.813 42 H GLY 5 HN GLY 5 10.925 -2.684 -5.274 43 1HA GLY 5 HA1 GLY 5 12.741 -4.714 -4.663 44 2HA GLY 5 HA2 GLY 5 13.060 -4.218 -6.332 45 H SER 6 HN SER 6 15.063 -3.320 -5.852 46 HA SER 6 HA SER 6 15.045 -1.007 -3.994 47 1HB SER 6 HB1 SER 6 17.067 -3.044 -4.588 48 2HB SER 6 HB2 SER 6 17.703 -1.494 -5.051 49 HG SER 6 HG SER 6 16.353 -1.385 -2.610 50 H CYS 7 HN CYS 7 16.052 0.911 -4.643 51 HA CYS 7 HA CYS 7 16.022 1.434 -7.589 52 1HB CYS 7 HB1 CYS 7 14.004 2.400 -6.448 53 2HB CYS 7 HB2 CYS 7 15.060 3.209 -5.324 54 H VAL 8 HN VAL 8 18.255 0.613 -6.385 55 HA VAL 8 HA VAL 8 19.874 3.118 -6.156 56 HB VAL 8 HB VAL 8 20.313 0.478 -4.692 57 1HG1 VAL 8 HG1 VAL 8 22.076 1.673 -3.469 58 2HG1 VAL 8 HG1 VAL 8 22.430 1.608 -5.217 59 3HG1 VAL 8 HG1 VAL 8 21.791 3.113 -4.491 60 1HG2 VAL 8 HG2 VAL 8 18.455 1.663 -3.766 61 2HG2 VAL 8 HG2 VAL 8 19.840 1.721 -2.644 62 3HG2 VAL 8 HG2 VAL 8 19.434 3.158 -3.633 63 H TRP 9 HN TRP 9 21.146 3.307 -7.808 64 HA TRP 9 HA TRP 9 21.671 1.149 -9.669 65 1HB TRP 9 HB1 TRP 9 21.776 4.018 -9.774 66 2HB TRP 9 HB2 TRP 9 23.435 3.521 -9.973 67 HD1 TRP 9 HD1 TRP 9 21.148 4.741 -12.149 68 HE1 TRP 9 HE1 TRP 9 21.112 3.506 -14.336 69 HE3 TRP 9 HE3 TRP 9 23.458 0.402 -10.880 70 HZ2 TRP 9 HZ2 TRP 9 21.900 1.037 -15.520 71 HZ3 TRP 9 HZ3 TRP 9 23.804 -1.371 -12.540 72 HH2 TRP 9 HH2 TRP 9 23.032 -1.063 -14.871 73 H GLY 10 HN GLY 10 22.785 -0.396 -8.651 74 1HA GLY 10 HA1 GLY 10 25.299 -1.014 -8.584 75 2HA GLY 10 HA2 GLY 10 25.417 0.275 -7.389 76 H ALA 11 HN ALA 11 22.498 -0.809 -6.733 77 HA ALA 11 HA ALA 11 23.500 -2.654 -4.647 78 1HB ALA 11 HB1 ALA 11 22.061 -0.725 -3.997 79 2HB ALA 11 HB2 ALA 11 20.776 -1.409 -5.058 80 3HB ALA 11 HB3 ALA 11 21.293 -2.289 -3.600 81 H VAL 12 HN VAL 12 21.745 -4.329 -4.098 82 HA VAL 12 HA VAL 12 21.473 -6.042 -6.445 83 HB VAL 12 HB VAL 12 20.331 -6.669 -3.723 84 1HG1 VAL 12 HG1 VAL 12 21.081 -8.944 -4.148 85 2HG1 VAL 12 HG1 VAL 12 19.919 -8.356 -5.350 86 3HG1 VAL 12 HG1 VAL 12 21.669 -8.428 -5.759 87 1HG2 VAL 12 HG2 VAL 12 22.520 -7.580 -2.987 88 2HG2 VAL 12 HG2 VAL 12 23.265 -6.875 -4.457 89 3HG2 VAL 12 HG2 VAL 12 22.566 -5.813 -3.196 90 H ASN 13 HN ASN 13 19.420 -7.203 -6.672 91 HA ASN 13 HA ASN 13 17.220 -7.024 -7.576 92 1HB ASN 13 HB1 ASN 13 16.503 -5.702 -5.008 93 2HB ASN 13 HB2 ASN 13 15.567 -6.877 -5.895 94 1HD2 ASN 13 HD2 ASN 13 16.245 -9.213 -5.648 95 2HD2 ASN 13 HD2 ASN 13 17.253 -9.645 -4.348 96 H TYR 14 HN TYR 14 19.049 -4.815 -7.973 97 HA TYR 14 HA TYR 14 17.912 -2.285 -7.642 98 1HB TYR 14 HB1 TYR 14 20.213 -2.516 -8.406 99 2HB TYR 14 HB2 TYR 14 19.723 -3.482 -9.791 100 HD1 TYR 14 HD1 TYR 14 18.639 -0.119 -8.459 101 HD2 TYR 14 HD2 TYR 14 20.098 -2.364 -11.764 102 HE1 TYR 14 HE1 TYR 14 18.543 1.888 -9.872 103 HE2 TYR 14 HE2 TYR 14 20.004 -0.370 -13.161 104 HH TYR 14 HH TYR 14 20.136 2.260 -12.530 105 H THR 15 HN THR 15 16.442 -1.076 -8.737 106 HA THR 15 HA THR 15 14.586 -2.557 -10.432 107 HB THR 15 HB THR 15 14.531 0.097 -8.956 108 HG1 THR 15 HG1 THR 15 14.025 -1.615 -7.744 109 1HG2 THR 15 HG2 THR 15 13.194 0.363 -11.079 110 2HG2 THR 15 HG2 THR 15 12.286 -1.106 -10.609 111 3HG2 THR 15 HG2 THR 15 12.247 0.347 -9.561 112 H SER 16 HN SER 16 15.759 0.791 -10.756 113 HA SER 16 HA SER 16 16.876 1.793 -12.558 114 1HB SER 16 HB1 SER 16 17.474 -0.818 -13.344 115 2HB SER 16 HB2 SER 16 16.267 -0.414 -14.567 116 HG SER 16 HG SER 16 18.376 1.311 -13.807 117 H ASP 17 HN ASP 17 13.995 -0.090 -13.045 118 HA ASP 17 HA ASP 17 12.704 2.272 -14.284 119 1HB ASP 17 HB1 ASP 17 11.644 0.710 -15.952 120 2HB ASP 17 HB2 ASP 17 13.385 0.875 -16.087 121 H CYS 18 HN CYS 18 12.039 2.351 -11.974 122 HA CYS 18 HA CYS 18 10.509 0.529 -10.558 123 1HB CYS 18 HB1 CYS 18 11.284 3.143 -10.366 124 2HB CYS 18 HB2 CYS 18 9.605 3.382 -10.661 125 H ASN 19 HN ASN 19 8.878 3.055 -12.453 126 HA ASN 19 HA ASN 19 6.387 2.011 -12.678 127 1HB ASN 19 HB1 ASN 19 7.424 4.093 -13.928 128 2HB ASN 19 HB2 ASN 19 7.727 2.965 -15.230 129 1HD2 ASN 19 HD2 ASN 19 5.679 1.438 -15.673 130 2HD2 ASN 19 HD2 ASN 19 4.207 2.273 -15.754 131 H GLY 20 HN GLY 20 9.235 0.923 -14.251 132 1HA GLY 20 HA1 GLY 20 7.994 -0.939 -16.097 133 2HA GLY 20 HA2 GLY 20 9.694 -0.918 -15.648 134 H GLU 21 HN GLU 21 9.880 -1.510 -13.200 135 HA GLU 21 HA GLU 21 9.305 -4.250 -12.889 136 1HB GLU 21 HB1 GLU 21 11.000 -2.905 -11.632 137 2HB GLU 21 HB2 GLU 21 9.719 -2.198 -10.703 138 1HG GLU 21 HG1 GLU 21 10.751 -4.150 -9.439 139 2HG GLU 21 HG2 GLU 21 9.022 -4.289 -9.720 140 H CYS 22 HN CYS 22 7.569 -1.495 -12.001 141 HA CYS 22 HA CYS 22 5.565 -2.829 -10.367 142 1HB CYS 22 HB1 CYS 22 5.915 -0.085 -11.492 143 2HB CYS 22 HB2 CYS 22 4.329 -0.558 -11.024 144 H LEU 23 HN LEU 23 5.708 -1.573 -13.740 145 HA LEU 23 HA LEU 23 3.114 -2.369 -14.465 146 1HB LEU 23 HB1 LEU 23 5.707 -1.747 -15.846 147 2HB LEU 23 HB2 LEU 23 4.486 -2.523 -16.771 148 HG LEU 23 HG LEU 23 4.093 0.108 -15.290 149 1HD1 LEU 23 HD1 LEU 23 4.230 1.108 -17.577 150 2HD1 LEU 23 HD1 LEU 23 5.730 0.214 -17.176 151 3HD1 LEU 23 HD1 LEU 23 4.507 -0.529 -18.243 152 1HD2 LEU 23 HD2 LEU 23 2.400 -1.290 -17.379 153 2HD2 LEU 23 HD2 LEU 23 1.988 -1.099 -15.649 154 3HD2 LEU 23 HD2 LEU 23 2.084 0.338 -16.697 155 H LEU 24 HN LEU 24 6.182 -3.987 -14.212 156 HA LEU 24 HA LEU 24 5.599 -6.308 -15.716 157 1HB LEU 24 HB1 LEU 24 7.649 -5.262 -13.944 158 2HB LEU 24 HB2 LEU 24 7.297 -6.865 -13.439 159 HG LEU 24 HG LEU 24 7.954 -5.937 -16.266 160 1HD1 LEU 24 HD1 LEU 24 10.168 -6.999 -15.899 161 2HD1 LEU 24 HD1 LEU 24 9.860 -5.668 -14.743 162 3HD1 LEU 24 HD1 LEU 24 9.692 -7.363 -14.211 163 1HD2 LEU 24 HD2 LEU 24 8.345 -8.347 -16.756 164 2HD2 LEU 24 HD2 LEU 24 7.851 -8.744 -15.081 165 3HD2 LEU 24 HD2 LEU 24 6.666 -8.050 -16.229 166 H ARG 25 HN ARG 25 4.891 -5.348 -12.616 167 HA ARG 25 HA ARG 25 3.628 -7.887 -11.772 168 1HB ARG 25 HB1 ARG 25 4.148 -5.241 -10.354 169 2HB ARG 25 HB2 ARG 25 3.432 -6.626 -9.547 170 1HG ARG 25 HG1 ARG 25 5.496 -7.877 -9.885 171 2HG ARG 25 HG2 ARG 25 6.147 -6.609 -10.916 172 1HD ARG 25 HD1 ARG 25 5.833 -4.992 -9.030 173 2HD ARG 25 HD2 ARG 25 5.399 -6.321 -7.961 174 HE ARG 25 HE ARG 25 8.011 -6.063 -9.398 175 1HH1 ARG 25 HH1 ARG 25 9.383 -8.130 -6.968 176 2HH1 ARG 25 HH1 ARG 25 9.366 -7.645 -8.630 177 1HH2 ARG 25 HH2 ARG 25 7.623 -7.113 -5.572 178 2HH2 ARG 25 HH2 ARG 25 6.569 -6.009 -6.360 179 H GLY 26 HN GLY 26 2.708 -5.246 -13.474 180 1HA GLY 26 HA1 GLY 26 0.563 -4.750 -14.356 181 2HA GLY 26 HA2 GLY 26 -0.136 -5.913 -13.228 182 H TYR 27 HN TYR 27 2.019 -3.767 -11.774 183 HA TYR 27 HA TYR 27 -0.214 -2.463 -10.380 184 1HB TYR 27 HB1 TYR 27 2.832 -2.509 -10.083 185 2HB TYR 27 HB2 TYR 27 1.867 -1.433 -9.104 186 HD1 TYR 27 HD1 TYR 27 3.463 -3.380 -7.696 187 HD2 TYR 27 HD2 TYR 27 -0.441 -4.005 -9.327 188 HE1 TYR 27 HE1 TYR 27 3.016 -5.175 -6.086 189 HE2 TYR 27 HE2 TYR 27 -0.839 -5.740 -7.737 190 HH TYR 27 HH TYR 27 0.722 -7.394 -6.338 191 H LYS 28 HN LYS 28 -0.255 -0.211 -9.987 192 HA LYS 28 HA LYS 28 -0.227 1.156 -12.554 193 1HB LYS 28 HB1 LYS 28 -0.989 2.154 -9.760 194 2HB LYS 28 HB2 LYS 28 -1.297 3.029 -11.236 195 1HG LYS 28 HG1 LYS 28 -3.277 1.904 -11.475 196 2HG LYS 28 HG2 LYS 28 -2.374 0.447 -11.775 197 1HD LYS 28 HD1 LYS 28 -3.708 -0.228 -9.981 198 2HD LYS 28 HD2 LYS 28 -2.255 0.258 -9.138 199 1HE LYS 28 HE1 LYS 28 -3.283 2.537 -8.704 200 2HE LYS 28 HE2 LYS 28 -4.739 1.999 -9.519 201 1HZ LYS 28 HZ1 LYS 28 -4.055 1.641 -6.859 202 2HZ LYS 28 HZ2 LYS 28 -5.422 1.070 -7.638 203 3HZ LYS 28 HZ3 LYS 28 -4.010 0.119 -7.437 204 H GLY 29 HN GLY 29 0.616 3.299 -12.752 205 1HA GLY 29 HA1 GLY 29 3.282 3.612 -12.844 206 2HA GLY 29 HA2 GLY 29 2.255 4.984 -12.443 207 H GLY 30 HN GLY 30 4.662 2.876 -11.307 208 1HA GLY 30 HA1 GLY 30 4.177 3.575 -8.472 209 2HA GLY 30 HA2 GLY 30 5.409 2.453 -9.078 210 H HIS 31 HN HIS 31 6.760 3.704 -7.526 211 HA HIS 31 HA HIS 31 8.318 5.614 -8.998 212 1HB HIS 31 HB1 HIS 31 7.999 7.580 -7.688 213 2HB HIS 31 HB2 HIS 31 6.417 7.075 -8.136 214 HD1 HIS 31 HD1 HIS 31 5.120 7.957 -6.188 215 HD2 HIS 31 HD2 HIS 31 8.375 5.836 -4.777 216 HE1 HIS 31 HE1 HIS 31 4.886 7.905 -3.729 217 HE2 HIS 31 HE2 HIS 31 6.902 6.605 -2.942 218 H CYS 32 HN CYS 32 10.033 6.554 -7.476 219 HA CYS 32 HA CYS 32 11.061 4.294 -5.877 220 1HB CYS 32 HB1 CYS 32 12.385 6.744 -7.058 221 2HB CYS 32 HB2 CYS 32 13.186 5.736 -5.891 222 H GLY 33 HN GLY 33 11.723 4.567 -3.809 223 1HA GLY 33 HA1 GLY 33 11.003 5.311 -1.624 224 2HA GLY 33 HA2 GLY 33 12.189 6.509 -2.145 225 H SER 34 HN SER 34 11.590 8.430 -1.643 226 HA SER 34 HA SER 34 9.087 9.510 -2.657 227 1HB SER 34 HB1 SER 34 8.441 8.348 -0.437 228 2HB SER 34 HB2 SER 34 9.452 9.540 0.401 229 HG SER 34 HG SER 34 7.749 10.817 0.158 230 H PHE 35 HN PHE 35 11.843 9.999 -0.452 231 HA PHE 35 HA PHE 35 12.851 12.215 -1.876 232 1HB PHE 35 HB1 PHE 35 10.727 13.072 -0.572 233 2HB PHE 35 HB2 PHE 35 11.709 12.923 0.862 234 HD1 PHE 35 HD1 PHE 35 11.597 14.575 -2.470 235 HD2 PHE 35 HD2 PHE 35 13.352 14.587 1.412 236 HE1 PHE 35 HE1 PHE 35 12.650 16.742 -2.954 237 HE2 PHE 35 HE2 PHE 35 14.403 16.751 0.928 238 HZ PHE 35 HZ PHE 35 14.056 17.834 -1.255 239 H ALA 36 HN ALA 36 14.571 10.920 -1.701 240 HA ALA 36 HA ALA 36 16.765 10.617 -0.946 241 1HB ALA 36 HB1 ALA 36 17.487 11.250 1.258 242 2HB ALA 36 HB2 ALA 36 16.569 12.611 0.540 243 3HB ALA 36 HB3 ALA 36 15.828 11.565 1.798 244 H ASN 37 HN ASN 37 15.204 8.623 -1.283 245 HA ASN 37 HA ASN 37 15.356 6.938 1.099 246 1HB ASN 37 HB1 ASN 37 13.089 7.223 -0.166 247 2HB ASN 37 HB2 ASN 37 13.912 6.316 -1.454 248 1HD2 ASN 37 HD2 ASN 37 13.432 5.860 2.155 249 2HD2 ASN 37 HD2 ASN 37 13.105 4.203 1.959 250 H VAL 38 HN VAL 38 15.192 4.481 -0.532 251 HA VAL 38 HA VAL 38 17.447 4.363 -2.280 252 HB VAL 38 HB VAL 38 18.672 2.683 -0.799 253 1HG1 VAL 38 HG1 VAL 38 19.535 5.009 -0.928 254 2HG1 VAL 38 HG1 VAL 38 18.553 5.430 0.511 255 3HG1 VAL 38 HG1 VAL 38 19.856 4.230 0.652 256 1HG2 VAL 38 HG2 VAL 38 18.299 2.751 1.627 257 2HG2 VAL 38 HG2 VAL 38 16.905 3.837 1.370 258 3HG2 VAL 38 HG2 VAL 38 16.876 2.162 0.728 259 H ASN 39 HN ASN 39 14.568 3.650 -2.193 260 HA ASN 39 HA ASN 39 14.833 0.923 -3.141 261 1HB ASN 39 HB1 ASN 39 13.275 1.645 -0.644 262 2HB ASN 39 HB2 ASN 39 12.623 0.457 -1.738 263 1HD2 ASN 39 HD2 ASN 39 14.284 0.386 1.076 264 2HD2 ASN 39 HD2 ASN 39 15.316 -0.912 0.718 265 H CYS 40 HN CYS 40 12.555 0.149 -3.938 266 HA CYS 40 HA CYS 40 11.188 2.493 -5.132 267 1HB CYS 40 HB1 CYS 40 12.693 0.380 -6.384 268 2HB CYS 40 HB2 CYS 40 11.052 0.144 -6.797 269 H TRP 41 HN TRP 41 8.972 2.331 -5.359 270 HA TRP 41 HA TRP 41 7.618 -0.035 -4.272 271 1HB TRP 41 HB1 TRP 41 7.055 2.775 -3.202 272 2HB TRP 41 HB2 TRP 41 6.229 1.312 -2.764 273 HD1 TRP 41 HD1 TRP 41 9.917 2.722 -2.570 274 HE1 TRP 41 HE1 TRP 41 10.830 1.801 -0.417 275 HE3 TRP 41 HE3 TRP 41 6.039 -0.112 -1.067 276 HZ2 TRP 41 HZ2 TRP 41 10.093 0.064 1.766 277 HZ3 TRP 41 HZ3 TRP 41 6.129 -1.386 1.038 278 HH2 TRP 41 HH2 TRP 41 8.151 -1.305 2.464 279 H CYS 42 HN CYS 42 5.286 0.037 -4.730 280 HA CYS 42 HA CYS 42 4.885 1.501 -7.270 281 1HB CYS 42 HB1 CYS 42 3.331 -0.735 -5.964 282 2HB CYS 42 HB2 CYS 42 2.782 0.077 -7.410 283 H GLU 43 HN GLU 43 2.334 2.059 -7.408 284 HA GLU 43 HA GLU 43 1.509 3.542 -4.991 285 1HB GLU 43 HB1 GLU 43 1.825 4.842 -7.722 286 2HB GLU 43 HB2 GLU 43 1.183 5.600 -6.281 287 1HG GLU 43 HG1 GLU 43 3.348 5.201 -5.097 288 2HG GLU 43 HG2 GLU 43 4.017 4.507 -6.562 289 H THR 44 HN THR 44 0.083 1.746 -5.087 290 HA THR 44 HA THR 44 -1.967 1.834 -7.173 291 HB THR 44 HB THR 44 -1.399 -0.458 -6.618 292 HG1 THR 44 HG1 THR 44 -3.576 0.308 -5.036 293 1HG2 THR 44 HG2 THR 44 -0.317 -0.030 -4.405 294 2HG2 THR 44 HG2 THR 44 -1.939 0.169 -3.678 295 3HG2 THR 44 HG2 THR 44 -1.471 -1.398 -4.401 Start of MODEL 4 1 1H ASP 1 HT1 ASP 1 0.817 0.508 -0.063 2 2H ASP 1 HT2 ASP 1 2.037 -0.635 0.350 3 3H ASP 1 HT3 ASP 1 2.332 1.046 0.455 4 HA ASP 1 HA ASP 1 1.510 0.536 -2.137 5 1HB ASP 1 HB1 ASP 1 4.413 0.738 -1.197 6 2HB ASP 1 HB2 ASP 1 3.810 1.218 -2.750 7 H LYS 2 HN LYS 2 2.904 -0.772 -3.719 8 HA LYS 2 HA LYS 2 3.516 -3.425 -2.624 9 1HB LYS 2 HB1 LYS 2 2.223 -2.324 -5.105 10 2HB LYS 2 HB2 LYS 2 3.249 -3.671 -5.300 11 1HG LYS 2 HG1 LYS 2 0.921 -3.535 -3.273 12 2HG LYS 2 HG2 LYS 2 0.734 -4.196 -4.884 13 1HD LYS 2 HD1 LYS 2 2.499 -5.926 -4.286 14 2HD LYS 2 HD2 LYS 2 2.530 -5.276 -2.662 15 1HE LYS 2 HE1 LYS 2 0.194 -5.854 -2.256 16 2HE LYS 2 HE2 LYS 2 -0.043 -6.304 -3.932 17 1HZ LYS 2 HZ1 LYS 2 0.917 -7.938 -1.812 18 2HZ LYS 2 HZ2 LYS 2 0.569 -8.372 -3.401 19 3HZ LYS 2 HZ3 LYS 2 2.111 -7.808 -3.016 20 H LEU 3 HN LEU 3 5.580 -3.367 -2.200 21 HA LEU 3 HA LEU 3 7.560 -1.754 -3.463 22 1HB LEU 3 HB1 LEU 3 7.673 -2.975 -1.182 23 2HB LEU 3 HB2 LEU 3 8.046 -4.435 -2.077 24 HG LEU 3 HG LEU 3 9.769 -2.078 -2.795 25 1HD1 LEU 3 HD1 LEU 3 10.021 -3.422 -0.090 26 2HD1 LEU 3 HD1 LEU 3 11.153 -2.249 -0.843 27 3HD1 LEU 3 HD1 LEU 3 9.506 -1.735 -0.416 28 1HD2 LEU 3 HD2 LEU 3 10.163 -4.405 -3.621 29 2HD2 LEU 3 HD2 LEU 3 11.525 -3.711 -2.700 30 3HD2 LEU 3 HD2 LEU 3 10.434 -4.910 -1.932 31 H ILE 4 HN ILE 4 9.338 -2.512 -4.708 32 HA ILE 4 HA ILE 4 8.732 -4.795 -6.529 33 HB ILE 4 HB ILE 4 9.559 -3.357 -8.455 34 1HG1 ILE 4 HG1 ILE 4 8.911 -0.977 -6.640 35 2HG1 ILE 4 HG1 ILE 4 10.550 -1.522 -7.004 36 1HG2 ILE 4 HG2 ILE 4 7.206 -3.928 -7.990 37 2HG2 ILE 4 HG2 ILE 4 7.057 -2.473 -6.961 38 3HG2 ILE 4 HG2 ILE 4 7.313 -2.312 -8.730 39 1HD1 ILE 4 HD1 ILE 4 9.826 0.270 -8.551 40 2HD1 ILE 4 HD2 ILE 4 10.209 -1.281 -9.349 41 3HD1 ILE 4 HD3 ILE 4 8.498 -0.766 -9.110 42 H GLY 5 HN GLY 5 11.141 -2.480 -5.363 43 1HA GLY 5 HA1 GLY 5 13.076 -4.412 -4.779 44 2HA GLY 5 HA2 GLY 5 13.357 -3.918 -6.455 45 H SER 6 HN SER 6 15.291 -2.901 -6.050 46 HA SER 6 HA SER 6 15.344 -0.715 -4.097 47 1HB SER 6 HB1 SER 6 17.347 -2.494 -5.424 48 2HB SER 6 HB2 SER 6 17.862 -0.842 -5.314 49 HG SER 6 HG SER 6 17.036 -0.933 -3.101 50 H CYS 7 HN CYS 7 16.927 1.105 -5.092 51 HA CYS 7 HA CYS 7 16.096 1.876 -7.814 52 1HB CYS 7 HB1 CYS 7 14.243 2.794 -6.542 53 2HB CYS 7 HB2 CYS 7 15.309 3.442 -5.314 54 H VAL 8 HN VAL 8 18.530 1.135 -7.232 55 HA VAL 8 HA VAL 8 20.076 3.617 -7.428 56 HB VAL 8 HB VAL 8 20.333 1.573 -5.197 57 1HG1 VAL 8 HG1 VAL 8 22.691 3.164 -6.245 58 2HG1 VAL 8 HG1 VAL 8 22.632 2.223 -4.723 59 3HG1 VAL 8 HG1 VAL 8 22.516 1.380 -6.285 60 1HG2 VAL 8 HG2 VAL 8 19.375 3.840 -4.867 61 2HG2 VAL 8 HG2 VAL 8 20.906 3.667 -3.949 62 3HG2 VAL 8 HG2 VAL 8 20.882 4.568 -5.489 63 H TRP 9 HN TRP 9 21.522 3.486 -8.947 64 HA TRP 9 HA TRP 9 21.785 0.987 -10.449 65 1HB TRP 9 HB1 TRP 9 21.880 3.657 -11.219 66 2HB TRP 9 HB2 TRP 9 23.593 3.291 -11.156 67 HD1 TRP 9 HD1 TRP 9 21.185 3.566 -13.652 68 HE1 TRP 9 HE1 TRP 9 21.495 1.880 -15.469 69 HE3 TRP 9 HE3 TRP 9 24.257 0.192 -11.382 70 HZ2 TRP 9 HZ2 TRP 9 22.809 -0.575 -16.034 71 HZ3 TRP 9 HZ3 TRP 9 25.006 -1.799 -12.574 72 HH2 TRP 9 HH2 TRP 9 24.292 -2.202 -14.908 73 H GLY 10 HN GLY 10 22.572 0.088 -8.406 74 1HA GLY 10 HA1 GLY 10 25.147 -0.878 -8.475 75 2HA GLY 10 HA2 GLY 10 25.329 0.631 -7.589 76 H ALA 11 HN ALA 11 22.641 -1.661 -7.526 77 HA ALA 11 HA ALA 11 23.362 -2.614 -4.862 78 1HB ALA 11 HB1 ALA 11 22.128 -0.533 -4.432 79 2HB ALA 11 HB2 ALA 11 20.804 -1.106 -5.494 80 3HB ALA 11 HB3 ALA 11 21.136 -1.943 -3.951 81 H VAL 12 HN VAL 12 21.528 -4.112 -4.133 82 HA VAL 12 HA VAL 12 21.144 -6.083 -6.249 83 HB VAL 12 HB VAL 12 19.948 -6.304 -3.478 84 1HG1 VAL 12 HG1 VAL 12 21.269 -8.325 -5.288 85 2HG1 VAL 12 HG1 VAL 12 20.604 -8.659 -3.657 86 3HG1 VAL 12 HG1 VAL 12 19.509 -8.168 -4.962 87 1HG2 VAL 12 HG2 VAL 12 22.222 -5.498 -3.046 88 2HG2 VAL 12 HG2 VAL 12 22.074 -7.219 -2.610 89 3HG2 VAL 12 HG2 VAL 12 22.873 -6.753 -4.145 90 H ASN 13 HN ASN 13 18.929 -7.140 -6.295 91 HA ASN 13 HA ASN 13 16.791 -6.900 -7.241 92 1HB ASN 13 HB1 ASN 13 16.593 -5.340 -4.701 93 2HB ASN 13 HB2 ASN 13 15.190 -5.835 -5.634 94 1HD2 ASN 13 HD2 ASN 13 14.266 -7.706 -4.692 95 2HD2 ASN 13 HD2 ASN 13 15.183 -8.968 -4.012 96 H TYR 14 HN TYR 14 18.825 -4.999 -8.013 97 HA TYR 14 HA TYR 14 18.057 -2.355 -8.153 98 1HB TYR 14 HB1 TYR 14 20.229 -3.176 -9.105 99 2HB TYR 14 HB2 TYR 14 19.360 -4.056 -10.363 100 HD1 TYR 14 HD1 TYR 14 19.884 -2.966 -12.408 101 HD2 TYR 14 HD2 TYR 14 18.841 -0.570 -9.037 102 HE1 TYR 14 HE1 TYR 14 19.867 -0.962 -13.820 103 HE2 TYR 14 HE2 TYR 14 18.817 1.412 -10.463 104 HH TYR 14 HH TYR 14 18.742 1.264 -13.761 105 H THR 15 HN THR 15 16.590 -1.156 -9.250 106 HA THR 15 HA THR 15 14.532 -2.636 -10.723 107 HB THR 15 HB THR 15 14.666 0.065 -9.343 108 HG1 THR 15 HG1 THR 15 13.228 -2.361 -8.897 109 1HG2 THR 15 HG2 THR 15 12.298 0.239 -9.594 110 2HG2 THR 15 HG2 THR 15 12.991 0.160 -11.247 111 3HG2 THR 15 HG2 THR 15 12.208 -1.279 -10.531 112 H SER 16 HN SER 16 15.725 0.692 -11.113 113 HA SER 16 HA SER 16 16.771 1.695 -12.961 114 1HB SER 16 HB1 SER 16 17.378 -0.861 -13.772 115 2HB SER 16 HB2 SER 16 16.047 -0.558 -14.881 116 HG SER 16 HG SER 16 17.254 0.800 -15.909 117 H ASP 17 HN ASP 17 13.857 -0.186 -13.313 118 HA ASP 17 HA ASP 17 12.505 2.168 -14.498 119 1HB ASP 17 HB1 ASP 17 11.344 0.563 -16.065 120 2HB ASP 17 HB2 ASP 17 13.064 0.803 -16.314 121 H CYS 18 HN CYS 18 11.929 2.337 -12.220 122 HA CYS 18 HA CYS 18 10.462 0.547 -10.678 123 1HB CYS 18 HB1 CYS 18 11.242 3.027 -10.370 124 2HB CYS 18 HB2 CYS 18 9.637 3.511 -10.854 125 H ASN 19 HN ASN 19 9.048 2.879 -12.893 126 HA ASN 19 HA ASN 19 6.409 1.946 -12.917 127 1HB ASN 19 HB1 ASN 19 7.454 3.952 -14.198 128 2HB ASN 19 HB2 ASN 19 7.786 2.810 -15.482 129 1HD2 ASN 19 HD2 ASN 19 5.717 1.275 -15.918 130 2HD2 ASN 19 HD2 ASN 19 4.262 2.135 -16.059 131 H GLY 20 HN GLY 20 9.213 0.747 -14.494 132 1HA GLY 20 HA1 GLY 20 7.896 -1.152 -16.243 133 2HA GLY 20 HA2 GLY 20 9.596 -1.151 -15.833 134 H GLU 21 HN GLU 21 9.903 -1.747 -13.428 135 HA GLU 21 HA GLU 21 9.223 -4.452 -13.036 136 1HB GLU 21 HB1 GLU 21 10.962 -2.814 -11.754 137 2HB GLU 21 HB2 GLU 21 9.642 -2.702 -10.624 138 1HG GLU 21 HG1 GLU 21 9.583 -5.062 -10.165 139 2HG GLU 21 HG2 GLU 21 10.678 -5.416 -11.506 140 H CYS 22 HN CYS 22 7.551 -1.560 -12.161 141 HA CYS 22 HA CYS 22 5.604 -2.813 -10.436 142 1HB CYS 22 HB1 CYS 22 5.961 -0.111 -11.676 143 2HB CYS 22 HB2 CYS 22 4.399 -0.512 -11.089 144 H LEU 23 HN LEU 23 5.717 -1.715 -13.842 145 HA LEU 23 HA LEU 23 3.058 -2.436 -14.463 146 1HB LEU 23 HB1 LEU 23 5.616 -1.896 -15.941 147 2HB LEU 23 HB2 LEU 23 4.373 -2.707 -16.808 148 HG LEU 23 HG LEU 23 4.021 -0.020 -15.418 149 1HD1 LEU 23 HD1 LEU 23 5.593 0.010 -17.372 150 2HD1 LEU 23 HD1 LEU 23 4.330 -0.779 -18.355 151 3HD1 LEU 23 HD1 LEU 23 4.072 0.881 -17.745 152 1HD2 LEU 23 HD2 LEU 23 1.914 -1.274 -15.666 153 2HD2 LEU 23 HD2 LEU 23 1.964 0.134 -16.755 154 3HD2 LEU 23 HD2 LEU 23 2.272 -1.508 -17.403 155 H LEU 24 HN LEU 24 6.069 -4.121 -14.251 156 HA LEU 24 HA LEU 24 5.358 -6.477 -15.669 157 1HB LEU 24 HB1 LEU 24 7.485 -5.433 -13.966 158 2HB LEU 24 HB2 LEU 24 7.135 -7.062 -13.540 159 HG LEU 24 HG LEU 24 7.733 -6.051 -16.364 160 1HD1 LEU 24 HD1 LEU 24 9.673 -5.777 -14.893 161 2HD1 LEU 24 HD1 LEU 24 9.543 -7.495 -14.394 162 3HD1 LEU 24 HD1 LEU 24 9.941 -7.075 -16.085 163 1HD2 LEU 24 HD2 LEU 24 7.682 -8.876 -15.233 164 2HD2 LEU 24 HD2 LEU 24 6.453 -8.157 -16.316 165 3HD2 LEU 24 HD2 LEU 24 8.113 -8.421 -16.911 166 H ARG 25 HN ARG 25 4.718 -5.359 -12.598 167 HA ARG 25 HA ARG 25 3.421 -7.880 -11.679 168 1HB ARG 25 HB1 ARG 25 4.204 -5.332 -10.252 169 2HB ARG 25 HB2 ARG 25 2.925 -6.303 -9.588 170 1HG ARG 25 HG1 ARG 25 4.622 -7.246 -8.361 171 2HG ARG 25 HG2 ARG 25 4.820 -8.253 -9.771 172 1HD ARG 25 HD1 ARG 25 6.345 -5.639 -9.358 173 2HD ARG 25 HD2 ARG 25 7.019 -7.174 -8.868 174 HE ARG 25 HE ARG 25 6.200 -6.496 -11.660 175 1HH1 ARG 25 HH1 ARG 25 9.671 -7.421 -11.881 176 2HH1 ARG 25 HH1 ARG 25 8.761 -5.966 -11.566 177 1HH2 ARG 25 HH2 ARG 25 8.458 -9.526 -11.395 178 2HH2 ARG 25 HH2 ARG 25 6.816 -9.339 -10.919 179 H GLY 26 HN GLY 26 2.567 -5.222 -13.399 180 1HA GLY 26 HA1 GLY 26 0.404 -4.678 -14.214 181 2HA GLY 26 HA2 GLY 26 -0.299 -5.736 -12.994 182 H TYR 27 HN TYR 27 2.011 -3.698 -11.700 183 HA TYR 27 HA TYR 27 -0.037 -2.184 -10.280 184 1HB TYR 27 HB1 TYR 27 3.000 -1.943 -10.178 185 2HB TYR 27 HB2 TYR 27 1.903 -1.214 -9.036 186 HD1 TYR 27 HD1 TYR 27 -0.015 -3.676 -8.737 187 HD2 TYR 27 HD2 TYR 27 4.232 -3.302 -8.658 188 HE1 TYR 27 HE1 TYR 27 0.139 -5.631 -7.316 189 HE2 TYR 27 HE2 TYR 27 4.376 -5.251 -7.224 190 HH TYR 27 HH TYR 27 2.317 -7.452 -6.959 191 H LYS 28 HN LYS 28 0.249 0.192 -9.998 192 HA LYS 28 HA LYS 28 0.371 1.344 -12.693 193 1HB LYS 28 HB1 LYS 28 -0.455 3.465 -11.455 194 2HB LYS 28 HB2 LYS 28 -1.559 2.113 -11.505 195 1HG LYS 28 HG1 LYS 28 0.322 2.367 -9.163 196 2HG LYS 28 HG2 LYS 28 -0.996 3.489 -9.230 197 1HD LYS 28 HD1 LYS 28 -1.937 0.712 -9.778 198 2HD LYS 28 HD2 LYS 28 -1.063 0.802 -8.275 199 1HE LYS 28 HE1 LYS 28 -3.573 1.239 -8.044 200 2HE LYS 28 HE2 LYS 28 -2.601 2.529 -7.379 201 1HZ LYS 28 HZ1 LYS 28 -3.484 3.924 -8.722 202 2HZ LYS 28 HZ2 LYS 28 -2.936 3.086 -10.071 203 3HZ LYS 28 HZ3 LYS 28 -4.492 2.741 -9.426 204 H GLY 29 HN GLY 29 1.358 3.451 -12.915 205 1HA GLY 29 HA1 GLY 29 4.032 3.523 -12.925 206 2HA GLY 29 HA2 GLY 29 3.121 5.004 -12.652 207 H GLY 30 HN GLY 30 5.159 2.636 -11.294 208 1HA GLY 30 HA1 GLY 30 4.733 3.318 -8.521 209 2HA GLY 30 HA2 GLY 30 6.087 2.364 -9.165 210 H HIS 31 HN HIS 31 7.208 3.625 -7.500 211 HA HIS 31 HA HIS 31 8.622 5.794 -8.761 212 1HB HIS 31 HB1 HIS 31 8.055 7.467 -6.853 213 2HB HIS 31 HB2 HIS 31 6.610 7.016 -7.752 214 HD1 HIS 31 HD1 HIS 31 5.161 5.145 -6.632 215 HD2 HIS 31 HD2 HIS 31 8.079 6.519 -4.045 216 HE1 HIS 31 HE1 HIS 31 4.515 4.299 -4.361 217 HE2 HIS 31 HE2 HIS 31 6.272 5.156 -2.859 218 H CYS 32 HN CYS 32 10.262 6.750 -7.154 219 HA CYS 32 HA CYS 32 11.460 4.454 -5.753 220 1HB CYS 32 HB1 CYS 32 12.503 7.182 -6.554 221 2HB CYS 32 HB2 CYS 32 13.405 6.090 -5.536 222 H GLY 33 HN GLY 33 12.042 4.575 -3.607 223 1HA GLY 33 HA1 GLY 33 10.272 5.421 -1.745 224 2HA GLY 33 HA2 GLY 33 11.971 5.288 -1.442 225 H SER 34 HN SER 34 13.268 7.242 -1.758 226 HA SER 34 HA SER 34 11.952 9.789 -2.168 227 1HB SER 34 HB1 SER 34 12.557 10.551 0.258 228 2HB SER 34 HB2 SER 34 11.217 9.408 0.151 229 HG SER 34 HG SER 34 13.159 9.027 1.626 230 H PHE 35 HN PHE 35 14.596 8.860 -0.199 231 HA PHE 35 HA PHE 35 16.581 9.956 -2.169 232 1HB PHE 35 HB1 PHE 35 16.183 11.670 -0.470 233 2HB PHE 35 HB2 PHE 35 16.408 10.541 0.842 234 HD1 PHE 35 HD1 PHE 35 18.367 11.371 -2.291 235 HD2 PHE 35 HD2 PHE 35 18.450 10.879 1.955 236 HE1 PHE 35 HE1 PHE 35 20.767 11.827 -2.274 237 HE2 PHE 35 HE2 PHE 35 20.847 11.336 1.952 238 HZ PHE 35 HZ PHE 35 22.017 11.811 -0.157 239 H ALA 36 HN ALA 36 17.422 8.805 0.998 240 HA ALA 36 HA ALA 36 19.154 6.978 -0.256 241 1HB ALA 36 HB1 ALA 36 19.854 8.202 1.765 242 2HB ALA 36 HB2 ALA 36 18.516 7.451 2.693 243 3HB ALA 36 HB3 ALA 36 19.860 6.442 2.092 244 H ASN 37 HN ASN 37 16.135 6.892 0.280 245 HA ASN 37 HA ASN 37 15.228 4.599 1.584 246 1HB ASN 37 HB1 ASN 37 14.025 6.512 -0.037 247 2HB ASN 37 HB2 ASN 37 14.048 5.140 -1.121 248 1HD2 ASN 37 HD2 ASN 37 12.377 6.713 1.260 249 2HD2 ASN 37 HD2 ASN 37 11.293 5.465 1.710 250 H VAL 38 HN VAL 38 16.585 4.954 -1.587 251 HA VAL 38 HA VAL 38 17.292 3.411 -3.201 252 HB VAL 38 HB VAL 38 19.050 3.447 -1.368 253 1HG1 VAL 38 HG1 VAL 38 18.002 2.403 0.515 254 2HG1 VAL 38 HG1 VAL 38 17.803 0.879 -0.407 255 3HG1 VAL 38 HG1 VAL 38 19.436 1.475 0.048 256 1HG2 VAL 38 HG2 VAL 38 20.299 1.478 -2.091 257 2HG2 VAL 38 HG2 VAL 38 18.789 0.754 -2.718 258 3HG2 VAL 38 HG2 VAL 38 19.417 2.253 -3.447 259 H ASN 39 HN ASN 39 14.677 3.085 -1.980 260 HA ASN 39 HA ASN 39 14.103 0.274 -2.782 261 1HB ASN 39 HB1 ASN 39 13.268 1.696 -0.256 262 2HB ASN 39 HB2 ASN 39 12.159 0.552 -0.991 263 1HD2 ASN 39 HD2 ASN 39 12.420 -1.149 0.604 264 2HD2 ASN 39 HD2 ASN 39 13.924 -1.920 0.797 265 H CYS 40 HN CYS 40 12.706 0.229 -4.406 266 HA CYS 40 HA CYS 40 11.083 2.658 -4.933 267 1HB CYS 40 HB1 CYS 40 12.568 0.906 -6.632 268 2HB CYS 40 HB2 CYS 40 10.905 0.530 -6.928 269 H TRP 41 HN TRP 41 8.967 2.559 -5.053 270 HA TRP 41 HA TRP 41 7.549 0.124 -4.102 271 1HB TRP 41 HB1 TRP 41 6.902 2.952 -3.220 272 2HB TRP 41 HB2 TRP 41 6.232 1.490 -2.578 273 HD1 TRP 41 HD1 TRP 41 9.687 3.428 -2.642 274 HE1 TRP 41 HE1 TRP 41 10.874 2.705 -0.546 275 HE3 TRP 41 HE3 TRP 41 6.457 0.020 -1.084 276 HZ2 TRP 41 HZ2 TRP 41 10.480 0.784 1.681 277 HZ3 TRP 41 HZ3 TRP 41 6.751 -1.280 0.921 278 HH2 TRP 41 HH2 TRP 41 8.797 -0.916 2.365 279 H CYS 42 HN CYS 42 5.368 -0.064 -4.829 280 HA CYS 42 HA CYS 42 4.991 1.490 -7.310 281 1HB CYS 42 HB1 CYS 42 3.462 -0.869 -6.188 282 2HB CYS 42 HB2 CYS 42 3.036 -0.025 -7.667 283 H GLU 43 HN GLU 43 2.864 2.426 -7.733 284 HA GLU 43 HA GLU 43 1.931 3.835 -5.300 285 1HB GLU 43 HB1 GLU 43 2.433 4.609 -8.112 286 2HB GLU 43 HB2 GLU 43 0.862 5.137 -7.578 287 1HG GLU 43 HG1 GLU 43 1.695 6.596 -6.024 288 2HG GLU 43 HG2 GLU 43 3.046 5.614 -5.555 289 H THR 44 HN THR 44 1.107 1.593 -5.126 290 HA THR 44 HA THR 44 -1.545 1.253 -6.342 291 HB THR 44 HB THR 44 -0.214 -0.775 -6.233 292 HG1 THR 44 HG1 THR 44 -2.422 -0.357 -4.644 293 1HG2 THR 44 HG2 THR 44 1.170 -0.132 -4.209 294 2HG2 THR 44 HG2 THR 44 -0.281 -0.441 -3.201 295 3HG2 THR 44 HG2 THR 44 0.438 -1.770 -4.140 Start of MODEL 5 1 1H ASP 1 HT1 ASP 1 -0.453 0.214 -0.145 2 2H ASP 1 HT2 ASP 1 0.413 -1.101 0.546 3 3H ASP 1 HT3 ASP 1 0.674 0.471 1.114 4 HA ASP 1 HA ASP 1 1.178 0.405 -1.659 5 1HB ASP 1 HB1 ASP 1 3.596 0.842 -0.680 6 2HB ASP 1 HB2 ASP 1 2.362 2.024 -0.325 7 H LYS 2 HN LYS 2 2.763 -0.642 -2.715 8 HA LYS 2 HA LYS 2 3.304 -3.420 -1.791 9 1HB LYS 2 HB1 LYS 2 1.446 -3.066 -3.540 10 2HB LYS 2 HB2 LYS 2 2.690 -2.429 -4.565 11 1HG LYS 2 HG1 LYS 2 2.436 -4.551 -5.307 12 2HG LYS 2 HG2 LYS 2 3.938 -4.593 -4.425 13 1HD LYS 2 HD1 LYS 2 2.911 -6.576 -3.748 14 2HD LYS 2 HD2 LYS 2 2.498 -5.511 -2.422 15 1HE LYS 2 HE1 LYS 2 0.673 -5.937 -4.842 16 2HE LYS 2 HE2 LYS 2 0.609 -6.995 -3.456 17 1HZ LYS 2 HZ1 LYS 2 -0.604 -4.473 -3.796 18 2HZ LYS 2 HZ2 LYS 2 -0.774 -5.560 -2.505 19 3HZ LYS 2 HZ3 LYS 2 0.443 -4.379 -2.446 20 H LEU 3 HN LEU 3 5.388 -3.912 -1.806 21 HA LEU 3 HA LEU 3 7.322 -1.971 -2.744 22 1HB LEU 3 HB1 LEU 3 7.533 -3.638 -0.727 23 2HB LEU 3 HB2 LEU 3 7.873 -4.869 -1.915 24 HG LEU 3 HG LEU 3 9.842 -3.651 -0.645 25 1HD1 LEU 3 HD1 LEU 3 10.078 -4.165 -3.580 26 2HD1 LEU 3 HD1 LEU 3 11.412 -3.912 -2.412 27 3HD1 LEU 3 HD1 LEU 3 10.299 -5.309 -2.239 28 1HD2 LEU 3 HD2 LEU 3 9.234 -1.462 -0.982 29 2HD2 LEU 3 HD2 LEU 3 10.820 -1.765 -1.743 30 3HD2 LEU 3 HD2 LEU 3 9.356 -1.595 -2.759 31 H ILE 4 HN ILE 4 9.037 -2.548 -4.230 32 HA ILE 4 HA ILE 4 8.233 -4.464 -6.342 33 HB ILE 4 HB ILE 4 8.405 -2.894 -8.138 34 1HG1 ILE 4 HG1 ILE 4 9.501 -0.754 -6.281 35 2HG1 ILE 4 HG1 ILE 4 10.449 -1.629 -7.468 36 1HG2 ILE 4 HG2 ILE 4 7.063 -1.485 -5.829 37 2HG2 ILE 4 HG2 ILE 4 6.758 -1.193 -7.561 38 3HG2 ILE 4 HG2 ILE 4 6.375 -2.785 -6.857 39 1HD1 ILE 4 HD1 ILE 4 9.792 0.495 -8.452 40 2HD1 ILE 4 HD2 ILE 4 8.952 -0.834 -9.266 41 3HD1 ILE 4 HD3 ILE 4 8.083 0.174 -8.054 42 H GLY 5 HN GLY 5 10.786 -2.414 -4.942 43 1HA GLY 5 HA1 GLY 5 12.746 -4.366 -4.835 44 2HA GLY 5 HA2 GLY 5 12.910 -3.673 -6.444 45 H SER 6 HN SER 6 15.020 -2.959 -5.759 46 HA SER 6 HA SER 6 14.999 -0.774 -3.780 47 1HB SER 6 HB1 SER 6 17.025 -2.722 -4.535 48 2HB SER 6 HB2 SER 6 17.649 -1.127 -4.879 49 HG SER 6 HG SER 6 17.061 -0.462 -2.744 50 H CYS 7 HN CYS 7 16.342 1.121 -4.345 51 HA CYS 7 HA CYS 7 16.183 1.885 -7.226 52 1HB CYS 7 HB1 CYS 7 14.144 2.844 -6.154 53 2HB CYS 7 HB2 CYS 7 15.120 3.557 -4.878 54 H VAL 8 HN VAL 8 18.411 0.996 -6.022 55 HA VAL 8 HA VAL 8 20.002 3.486 -5.570 56 HB VAL 8 HB VAL 8 20.383 0.678 -4.437 57 1HG1 VAL 8 HG1 VAL 8 22.212 3.093 -4.153 58 2HG1 VAL 8 HG1 VAL 8 22.392 1.519 -3.320 59 3HG1 VAL 8 HG1 VAL 8 22.593 1.609 -5.087 60 1HG2 VAL 8 HG2 VAL 8 20.293 1.826 -2.318 61 2HG2 VAL 8 HG2 VAL 8 20.060 3.399 -3.145 62 3HG2 VAL 8 HG2 VAL 8 18.817 2.114 -3.279 63 H TRP 9 HN TRP 9 21.457 3.884 -7.034 64 HA TRP 9 HA TRP 9 21.848 2.079 -9.285 65 1HB TRP 9 HB1 TRP 9 22.953 4.847 -8.576 66 2HB TRP 9 HB2 TRP 9 23.386 3.988 -10.046 67 HD1 TRP 9 HD1 TRP 9 20.117 5.199 -8.183 68 HE1 TRP 9 HE1 TRP 9 18.425 5.508 -9.998 69 HE3 TRP 9 HE3 TRP 9 22.781 3.647 -12.153 70 HZ2 TRP 9 HZ2 TRP 9 18.136 5.176 -12.865 71 HZ3 TRP 9 HZ3 TRP 9 21.815 3.641 -14.427 72 HH2 TRP 9 HH2 TRP 9 19.494 4.406 -14.785 73 H GLY 10 HN GLY 10 22.554 0.459 -7.741 74 1HA GLY 10 HA1 GLY 10 24.933 -0.641 -7.986 75 2HA GLY 10 HA2 GLY 10 25.393 0.668 -6.903 76 H ALA 11 HN ALA 11 22.705 -1.642 -7.093 77 HA ALA 11 HA ALA 11 23.409 -2.832 -4.526 78 1HB ALA 11 HB1 ALA 11 22.117 -0.835 -3.884 79 2HB ALA 11 HB2 ALA 11 20.802 -1.357 -4.988 80 3HB ALA 11 HB3 ALA 11 21.182 -2.317 -3.530 81 H VAL 12 HN VAL 12 21.639 -4.437 -3.973 82 HA VAL 12 HA VAL 12 21.230 -6.164 -6.297 83 HB VAL 12 HB VAL 12 20.148 -6.680 -3.525 84 1HG1 VAL 12 HG1 VAL 12 21.312 -8.547 -5.575 85 2HG1 VAL 12 HG1 VAL 12 20.751 -9.004 -3.938 86 3HG1 VAL 12 HG1 VAL 12 19.579 -8.389 -5.118 87 1HG2 VAL 12 HG2 VAL 12 22.453 -5.933 -3.131 88 2HG2 VAL 12 HG2 VAL 12 22.308 -7.686 -2.860 89 3HG2 VAL 12 HG2 VAL 12 23.023 -7.075 -4.387 90 H ASN 13 HN ASN 13 19.031 -7.250 -6.389 91 HA ASN 13 HA ASN 13 16.841 -6.958 -7.184 92 1HB ASN 13 HB1 ASN 13 16.524 -5.466 -4.616 93 2HB ASN 13 HB2 ASN 13 15.280 -6.341 -5.462 94 1HD2 ASN 13 HD2 ASN 13 16.582 -6.723 -2.636 95 2HD2 ASN 13 HD2 ASN 13 16.924 -8.393 -2.638 96 H TYR 14 HN TYR 14 18.821 -4.921 -7.807 97 HA TYR 14 HA TYR 14 17.920 -2.289 -7.650 98 1HB TYR 14 HB1 TYR 14 20.158 -2.841 -8.503 99 2HB TYR 14 HB2 TYR 14 19.485 -3.789 -9.810 100 HD1 TYR 14 HD1 TYR 14 19.183 -0.218 -8.580 101 HD2 TYR 14 HD2 TYR 14 19.649 -2.853 -11.900 102 HE1 TYR 14 HE1 TYR 14 19.321 1.703 -10.096 103 HE2 TYR 14 HE2 TYR 14 19.801 -0.936 -13.397 104 HH TYR 14 HH TYR 14 20.086 2.327 -12.329 105 H THR 15 HN THR 15 16.496 -1.022 -8.773 106 HA THR 15 HA THR 15 14.462 -2.471 -10.302 107 HB THR 15 HB THR 15 14.642 0.280 -9.022 108 HG1 THR 15 HG1 THR 15 14.122 -1.315 -7.677 109 1HG2 THR 15 HG2 THR 15 13.181 0.398 -11.133 110 2HG2 THR 15 HG2 THR 15 12.237 -0.949 -10.430 111 3HG2 THR 15 HG2 THR 15 12.356 0.621 -9.569 112 H SER 16 HN SER 16 15.803 0.768 -10.831 113 HA SER 16 HA SER 16 16.886 1.685 -12.707 114 1HB SER 16 HB1 SER 16 18.001 0.248 -14.073 115 2HB SER 16 HB2 SER 16 17.182 -1.170 -13.489 116 HG SER 16 HG SER 16 15.635 -0.879 -15.114 117 H ASP 17 HN ASP 17 13.957 -0.161 -13.022 118 HA ASP 17 HA ASP 17 12.688 2.124 -14.427 119 1HB ASP 17 HB1 ASP 17 11.643 0.409 -15.957 120 2HB ASP 17 HB2 ASP 17 13.378 0.591 -16.109 121 H CYS 18 HN CYS 18 12.052 2.428 -12.136 122 HA CYS 18 HA CYS 18 10.518 0.744 -10.543 123 1HB CYS 18 HB1 CYS 18 11.279 3.290 -10.354 124 2HB CYS 18 HB2 CYS 18 9.696 3.647 -10.972 125 H ASN 19 HN ASN 19 8.891 3.105 -12.620 126 HA ASN 19 HA ASN 19 6.396 1.934 -12.648 127 1HB ASN 19 HB1 ASN 19 7.389 4.065 -13.952 128 2HB ASN 19 HB2 ASN 19 7.406 2.949 -15.300 129 1HD2 ASN 19 HD2 ASN 19 4.917 1.454 -14.197 130 2HD2 ASN 19 HD2 ASN 19 3.639 2.510 -14.560 131 H GLY 20 HN GLY 20 9.248 0.926 -14.228 132 1HA GLY 20 HA1 GLY 20 8.127 -0.913 -16.145 133 2HA GLY 20 HA2 GLY 20 9.784 -0.940 -15.548 134 H GLU 21 HN GLU 21 9.842 -1.581 -13.164 135 HA GLU 21 HA GLU 21 9.203 -4.312 -12.874 136 1HB GLU 21 HB1 GLU 21 10.770 -2.937 -11.435 137 2HB GLU 21 HB2 GLU 21 9.388 -2.356 -10.572 138 1HG GLU 21 HG1 GLU 21 9.911 -4.256 -9.183 139 2HG GLU 21 HG2 GLU 21 8.722 -4.871 -10.292 140 H CYS 22 HN CYS 22 7.421 -1.495 -11.977 141 HA CYS 22 HA CYS 22 5.285 -2.914 -10.623 142 1HB CYS 22 HB1 CYS 22 5.797 -0.117 -11.476 143 2HB CYS 22 HB2 CYS 22 4.137 -0.550 -11.315 144 H LEU 23 HN LEU 23 5.725 -1.576 -13.913 145 HA LEU 23 HA LEU 23 3.178 -2.281 -14.889 146 1HB LEU 23 HB1 LEU 23 5.899 -1.651 -15.989 147 2HB LEU 23 HB2 LEU 23 4.804 -2.431 -17.064 148 HG LEU 23 HG LEU 23 4.123 0.143 -15.564 149 1HD1 LEU 23 HD1 LEU 23 5.123 -0.240 -18.412 150 2HD1 LEU 23 HD1 LEU 23 4.643 1.312 -17.655 151 3HD1 LEU 23 HD1 LEU 23 6.077 0.437 -17.057 152 1HD2 LEU 23 HD2 LEU 23 2.933 -1.160 -18.038 153 2HD2 LEU 23 HD2 LEU 23 2.194 -1.150 -16.408 154 3HD2 LEU 23 HD2 LEU 23 2.406 0.383 -17.292 155 H LEU 24 HN LEU 24 6.150 -3.972 -14.346 156 HA LEU 24 HA LEU 24 5.646 -6.286 -15.923 157 1HB LEU 24 HB1 LEU 24 7.564 -5.258 -14.012 158 2HB LEU 24 HB2 LEU 24 7.168 -6.860 -13.511 159 HG LEU 24 HG LEU 24 7.946 -5.986 -16.330 160 1HD1 LEU 24 HD1 LEU 24 9.689 -7.251 -14.179 161 2HD1 LEU 24 HD1 LEU 24 10.188 -6.932 -15.866 162 3HD1 LEU 24 HD1 LEU 24 9.813 -5.569 -14.780 163 1HD2 LEU 24 HD2 LEU 24 6.760 -8.136 -16.245 164 2HD2 LEU 24 HD2 LEU 24 8.468 -8.391 -16.695 165 3HD2 LEU 24 HD2 LEU 24 7.922 -8.742 -15.027 166 H ARG 25 HN ARG 25 4.735 -5.344 -12.817 167 HA ARG 25 HA ARG 25 3.211 -7.857 -12.293 168 1HB ARG 25 HB1 ARG 25 3.641 -5.447 -10.502 169 2HB ARG 25 HB2 ARG 25 2.619 -6.767 -10.040 170 1HG ARG 25 HG1 ARG 25 4.356 -7.757 -9.112 171 2HG ARG 25 HG2 ARG 25 4.992 -8.014 -10.732 172 1HD ARG 25 HD1 ARG 25 6.368 -6.201 -10.693 173 2HD ARG 25 HD2 ARG 25 5.445 -5.258 -9.533 174 HE ARG 25 HE ARG 25 6.313 -6.831 -7.783 175 1HH1 ARG 25 HH1 ARG 25 9.805 -6.648 -8.708 176 2HH1 ARG 25 HH1 ARG 25 8.696 -5.657 -7.860 177 1HH2 ARG 25 HH2 ARG 25 8.958 -8.168 -10.213 178 2HH2 ARG 25 HH2 ARG 25 7.236 -8.584 -10.142 179 H GLY 26 HN GLY 26 2.553 -5.462 -14.125 180 1HA GLY 26 HA1 GLY 26 0.584 -4.413 -14.864 181 2HA GLY 26 HA2 GLY 26 -0.250 -5.776 -14.115 182 H TYR 27 HN TYR 27 1.785 -3.650 -12.317 183 HA TYR 27 HA TYR 27 -0.442 -2.988 -10.558 184 1HB TYR 27 HB1 TYR 27 2.486 -2.180 -10.642 185 2HB TYR 27 HB2 TYR 27 1.428 -1.465 -9.467 186 HD1 TYR 27 HD1 TYR 27 -0.228 -4.161 -8.977 187 HD2 TYR 27 HD2 TYR 27 3.943 -3.235 -9.027 188 HE1 TYR 27 HE1 TYR 27 0.206 -5.997 -7.470 189 HE2 TYR 27 HE2 TYR 27 4.355 -5.077 -7.488 190 HH TYR 27 HH TYR 27 2.970 -7.383 -6.948 191 H LYS 28 HN LYS 28 -0.442 -0.650 -9.771 192 HA LYS 28 HA LYS 28 -1.553 0.925 -11.939 193 1HB LYS 28 HB1 LYS 28 -1.070 1.464 -8.947 194 2HB LYS 28 HB2 LYS 28 -1.904 2.606 -9.985 195 1HG LYS 28 HG1 LYS 28 -3.854 1.438 -9.889 196 2HG LYS 28 HG2 LYS 28 -3.086 -0.034 -10.391 197 1HD LYS 28 HD1 LYS 28 -3.800 -0.799 -8.374 198 2HD LYS 28 HD2 LYS 28 -2.319 -0.111 -7.787 199 1HE LYS 28 HE1 LYS 28 -5.082 1.254 -7.776 200 2HE LYS 28 HE2 LYS 28 -4.327 0.503 -6.387 201 1HZ LYS 28 HZ1 LYS 28 -2.480 2.363 -7.374 202 2HZ LYS 28 HZ2 LYS 28 -3.964 3.160 -7.272 203 3HZ LYS 28 HZ3 LYS 28 -3.305 2.357 -5.937 204 H GLY 29 HN GLY 29 1.407 0.886 -10.113 205 1HA GLY 29 HA1 GLY 29 3.113 1.974 -11.930 206 2HA GLY 29 HA2 GLY 29 2.392 3.407 -11.194 207 H GLY 30 HN GLY 30 4.957 3.385 -10.797 208 1HA GLY 30 HA1 GLY 30 5.231 2.921 -7.963 209 2HA GLY 30 HA2 GLY 30 6.309 1.913 -8.943 210 H HIS 31 HN HIS 31 7.099 3.797 -7.119 211 HA HIS 31 HA HIS 31 8.748 5.558 -8.800 212 1HB HIS 31 HB1 HIS 31 8.028 7.671 -7.753 213 2HB HIS 31 HB2 HIS 31 6.584 6.845 -8.310 214 HD1 HIS 31 HD1 HIS 31 4.808 7.168 -6.554 215 HD2 HIS 31 HD2 HIS 31 8.448 6.566 -4.688 216 HE1 HIS 31 HE1 HIS 31 4.363 7.191 -4.130 217 HE2 HIS 31 HE2 HIS 31 6.596 6.827 -3.055 218 H CYS 32 HN CYS 32 10.512 6.536 -7.628 219 HA CYS 32 HA CYS 32 11.461 4.797 -5.500 220 1HB CYS 32 HB1 CYS 32 12.628 7.290 -6.774 221 2HB CYS 32 HB2 CYS 32 13.439 6.320 -5.576 222 H GLY 33 HN GLY 33 11.906 5.417 -3.427 223 1HA GLY 33 HA1 GLY 33 10.008 6.852 -2.046 224 2HA GLY 33 HA2 GLY 33 11.614 6.543 -1.404 225 H SER 34 HN SER 34 10.038 8.901 -0.959 226 HA SER 34 HA SER 34 11.446 10.982 -2.550 227 1HB SER 34 HB1 SER 34 8.927 11.229 -2.223 228 2HB SER 34 HB2 SER 34 9.184 11.401 -0.479 229 HG SER 34 HG SER 34 9.853 13.392 -0.872 230 H PHE 35 HN PHE 35 10.563 10.666 0.899 231 HA PHE 35 HA PHE 35 13.166 11.949 1.552 232 1HB PHE 35 HB1 PHE 35 10.946 12.865 2.530 233 2HB PHE 35 HB2 PHE 35 10.804 11.359 3.422 234 HD1 PHE 35 HD1 PHE 35 13.561 13.835 2.738 235 HD2 PHE 35 HD2 PHE 35 11.468 11.558 5.681 236 HE1 PHE 35 HE1 PHE 35 15.004 14.753 4.483 237 HE2 PHE 35 HE2 PHE 35 12.917 12.487 7.419 238 HZ PHE 35 HZ PHE 35 14.689 14.083 6.831 239 H ALA 36 HN ALA 36 12.675 9.112 0.728 240 HA ALA 36 HA ALA 36 14.552 7.964 2.464 241 1HB ALA 36 HB1 ALA 36 13.090 6.089 3.265 242 2HB ALA 36 HB2 ALA 36 12.522 7.673 3.872 243 3HB ALA 36 HB3 ALA 36 11.695 6.886 2.489 244 H ASN 37 HN ASN 37 14.873 8.354 -0.084 245 HA ASN 37 HA ASN 37 13.853 6.425 -1.870 246 1HB ASN 37 HB1 ASN 37 15.720 7.273 -3.337 247 2HB ASN 37 HB2 ASN 37 14.890 8.598 -2.566 248 1HD2 ASN 37 HD2 ASN 37 16.213 10.045 -1.409 249 2HD2 ASN 37 HD2 ASN 37 17.803 9.669 -0.948 250 H VAL 38 HN VAL 38 16.349 5.548 -2.913 251 HA VAL 38 HA VAL 38 18.038 3.934 -2.634 252 HB VAL 38 HB VAL 38 17.813 4.656 0.008 253 1HG1 VAL 38 HG1 VAL 38 17.447 2.707 1.451 254 2HG1 VAL 38 HG1 VAL 38 15.960 2.949 0.496 255 3HG1 VAL 38 HG1 VAL 38 17.131 1.695 0.009 256 1HG2 VAL 38 HG2 VAL 38 19.327 2.242 -0.725 257 2HG2 VAL 38 HG2 VAL 38 19.850 3.961 -0.927 258 3HG2 VAL 38 HG2 VAL 38 19.562 3.276 0.694 259 H ASN 39 HN ASN 39 14.693 3.722 -2.146 260 HA ASN 39 HA ASN 39 14.619 1.097 -3.401 261 1HB ASN 39 HB1 ASN 39 13.381 1.676 -0.670 262 2HB ASN 39 HB2 ASN 39 12.601 0.618 -1.794 263 1HD2 ASN 39 HD2 ASN 39 13.480 -1.476 -2.103 264 2HD2 ASN 39 HD2 ASN 39 14.911 -1.974 -1.315 265 H CYS 40 HN CYS 40 12.595 0.545 -4.303 266 HA CYS 40 HA CYS 40 10.964 2.973 -4.923 267 1HB CYS 40 HB1 CYS 40 12.447 1.228 -6.660 268 2HB CYS 40 HB2 CYS 40 10.763 0.904 -6.903 269 H TRP 41 HN TRP 41 8.799 2.697 -5.113 270 HA TRP 41 HA TRP 41 7.669 0.124 -4.104 271 1HB TRP 41 HB1 TRP 41 6.845 2.895 -3.108 272 2HB TRP 41 HB2 TRP 41 6.094 1.364 -2.687 273 HD1 TRP 41 HD1 TRP 41 9.728 2.879 -2.567 274 HE1 TRP 41 HE1 TRP 41 10.746 1.908 -0.478 275 HE3 TRP 41 HE3 TRP 41 5.953 -0.017 -0.969 276 HZ2 TRP 41 HZ2 TRP 41 10.127 0.127 1.679 277 HZ3 TRP 41 HZ3 TRP 41 6.145 -1.349 1.088 278 HH2 TRP 41 HH2 TRP 41 8.231 -1.289 2.424 279 H CYS 42 HN CYS 42 5.266 0.085 -4.465 280 HA CYS 42 HA CYS 42 4.743 1.191 -7.151 281 1HB CYS 42 HB1 CYS 42 4.528 -1.352 -6.153 282 2HB CYS 42 HB2 CYS 42 2.906 -0.794 -5.983 283 H GLU 43 HN GLU 43 2.560 1.980 -7.466 284 HA GLU 43 HA GLU 43 1.603 3.707 -5.305 285 1HB GLU 43 HB1 GLU 43 2.240 4.127 -8.057 286 2HB GLU 43 HB2 GLU 43 0.506 4.115 -8.050 287 1HG GLU 43 HG1 GLU 43 0.808 6.364 -7.668 288 2HG GLU 43 HG2 GLU 43 0.860 5.798 -6.006 289 H THR 44 HN THR 44 0.895 1.354 -4.759 290 HA THR 44 HA THR 44 -1.713 0.679 -5.983 291 HB THR 44 HB THR 44 -1.639 -1.325 -4.449 292 HG1 THR 44 HG1 THR 44 -0.257 0.277 -3.112 293 1HG2 THR 44 HG2 THR 44 -0.292 -1.361 -6.622 294 2HG2 THR 44 HG2 THR 44 1.045 -0.643 -5.687 295 3HG2 THR 44 HG2 THR 44 0.477 -2.305 -5.317 Start of MODEL 6 1 1H ASP 1 HT1 ASP 1 0.703 0.564 -0.133 2 2H ASP 1 HT2 ASP 1 2.047 -0.393 0.341 3 3H ASP 1 HT3 ASP 1 2.136 1.303 0.382 4 HA ASP 1 HA ASP 1 1.438 0.533 -2.223 5 1HB ASP 1 HB1 ASP 1 3.988 1.302 -2.515 6 2HB ASP 1 HB2 ASP 1 2.809 2.471 -1.963 7 H LYS 2 HN LYS 2 2.565 -0.718 -3.660 8 HA LYS 2 HA LYS 2 3.404 -3.259 -2.503 9 1HB LYS 2 HB1 LYS 2 1.822 -2.428 -4.839 10 2HB LYS 2 HB2 LYS 2 3.131 -3.439 -5.338 11 1HG LYS 2 HG1 LYS 2 1.028 -4.060 -3.207 12 2HG LYS 2 HG2 LYS 2 1.057 -4.715 -4.822 13 1HD LYS 2 HD1 LYS 2 3.383 -5.731 -4.318 14 2HD LYS 2 HD2 LYS 2 3.283 -5.152 -2.675 15 1HE LYS 2 HE1 LYS 2 1.254 -6.575 -2.306 16 2HE LYS 2 HE2 LYS 2 1.525 -7.282 -3.895 17 1HZ LYS 2 HZ1 LYS 2 2.797 -7.995 -1.482 18 2HZ LYS 2 HZ2 LYS 2 3.075 -8.604 -3.046 19 3HZ LYS 2 HZ3 LYS 2 3.957 -7.275 -2.490 20 H LEU 3 HN LEU 3 5.434 -3.317 -2.152 21 HA LEU 3 HA LEU 3 7.459 -1.810 -3.402 22 1HB LEU 3 HB1 LEU 3 7.626 -3.108 -1.191 23 2HB LEU 3 HB2 LEU 3 7.798 -4.576 -2.115 24 HG LEU 3 HG LEU 3 9.753 -2.296 -2.704 25 1HD1 LEU 3 HD1 LEU 3 9.742 -2.425 -0.299 26 2HD1 LEU 3 HD1 LEU 3 10.025 -4.190 -0.344 27 3HD1 LEU 3 HD1 LEU 3 11.266 -3.048 -0.969 28 1HD2 LEU 3 HD2 LEU 3 9.871 -4.533 -3.940 29 2HD2 LEU 3 HD2 LEU 3 11.326 -4.070 -3.013 30 3HD2 LEU 3 HD2 LEU 3 10.167 -5.291 -2.368 31 H ILE 4 HN ILE 4 9.149 -2.614 -4.748 32 HA ILE 4 HA ILE 4 8.377 -4.804 -6.613 33 HB ILE 4 HB ILE 4 8.696 -3.356 -8.557 34 1HG1 ILE 4 HG1 ILE 4 9.370 -1.153 -6.544 35 2HG1 ILE 4 HG1 ILE 4 10.453 -1.760 -7.788 36 1HG2 ILE 4 HG2 ILE 4 6.836 -1.990 -8.407 37 2HG2 ILE 4 HG2 ILE 4 6.556 -3.519 -7.544 38 3HG2 ILE 4 HG2 ILE 4 6.865 -2.013 -6.618 39 1HD1 ILE 4 HD1 ILE 4 7.871 -0.234 -8.137 40 2HD1 ILE 4 HD2 ILE 4 9.510 0.278 -8.612 41 3HD1 ILE 4 HD3 ILE 4 8.711 -1.048 -9.495 42 H GLY 5 HN GLY 5 10.933 -2.585 -5.480 43 1HA GLY 5 HA1 GLY 5 12.828 -4.638 -5.088 44 2HA GLY 5 HA2 GLY 5 13.093 -3.967 -6.698 45 H SER 6 HN SER 6 15.172 -3.098 -6.058 46 HA SER 6 HA SER 6 15.166 -1.104 -3.976 47 1HB SER 6 HB1 SER 6 17.494 -1.966 -5.698 48 2HB SER 6 HB2 SER 6 17.420 -1.436 -4.028 49 HG SER 6 HG SER 6 17.476 -3.793 -4.874 50 H CYS 7 HN CYS 7 16.352 0.930 -4.542 51 HA CYS 7 HA CYS 7 15.993 1.831 -7.370 52 1HB CYS 7 HB1 CYS 7 13.992 2.672 -6.179 53 2HB CYS 7 HB2 CYS 7 14.982 3.309 -4.878 54 H VAL 8 HN VAL 8 18.312 0.976 -6.347 55 HA VAL 8 HA VAL 8 19.880 3.465 -5.848 56 HB VAL 8 HB VAL 8 20.509 0.626 -4.925 57 1HG1 VAL 8 HG1 VAL 8 22.335 1.636 -3.646 58 2HG1 VAL 8 HG1 VAL 8 22.542 1.923 -5.394 59 3HG1 VAL 8 HG1 VAL 8 21.929 3.235 -4.339 60 1HG2 VAL 8 HG2 VAL 8 19.697 3.070 -3.360 61 2HG2 VAL 8 HG2 VAL 8 18.675 1.630 -3.673 62 3HG2 VAL 8 HG2 VAL 8 20.131 1.482 -2.655 63 H TRP 9 HN TRP 9 21.282 3.924 -7.366 64 HA TRP 9 HA TRP 9 21.639 2.176 -9.679 65 1HB TRP 9 HB1 TRP 9 22.317 5.019 -8.948 66 2HB TRP 9 HB2 TRP 9 23.462 4.244 -10.017 67 HD1 TRP 9 HD1 TRP 9 22.986 5.111 -12.360 68 HE1 TRP 9 HE1 TRP 9 20.896 5.278 -13.726 69 HE3 TRP 9 HE3 TRP 9 19.507 3.689 -8.976 70 HZ2 TRP 9 HZ2 TRP 9 18.074 4.884 -13.542 71 HZ3 TRP 9 HZ3 TRP 9 17.128 3.580 -9.577 72 HH2 TRP 9 HH2 TRP 9 16.399 4.179 -11.865 73 H GLY 10 HN GLY 10 22.410 0.528 -8.123 74 1HA GLY 10 HA1 GLY 10 24.812 -0.528 -8.447 75 2HA GLY 10 HA2 GLY 10 25.275 0.791 -7.379 76 H ALA 11 HN ALA 11 22.690 -1.635 -7.500 77 HA ALA 11 HA ALA 11 23.508 -2.786 -4.952 78 1HB ALA 11 HB1 ALA 11 22.159 -0.844 -4.255 79 2HB ALA 11 HB2 ALA 11 20.828 -1.418 -5.312 80 3HB ALA 11 HB3 ALA 11 21.301 -2.365 -3.874 81 H VAL 12 HN VAL 12 21.719 -4.414 -4.325 82 HA VAL 12 HA VAL 12 21.356 -6.177 -6.624 83 HB VAL 12 HB VAL 12 20.271 -6.692 -3.854 84 1HG1 VAL 12 HG1 VAL 12 19.757 -8.415 -5.424 85 2HG1 VAL 12 HG1 VAL 12 21.493 -8.545 -5.887 86 3HG1 VAL 12 HG1 VAL 12 20.943 -9.002 -4.246 87 1HG2 VAL 12 HG2 VAL 12 23.168 -7.026 -4.697 88 2HG2 VAL 12 HG2 VAL 12 22.564 -5.881 -3.459 89 3HG2 VAL 12 HG2 VAL 12 22.458 -7.633 -3.168 90 H ASN 13 HN ASN 13 19.201 -7.296 -6.733 91 HA ASN 13 HA ASN 13 17.024 -7.049 -7.608 92 1HB ASN 13 HB1 ASN 13 15.863 -5.559 -5.390 93 2HB ASN 13 HB2 ASN 13 15.682 -7.251 -5.761 94 1HD2 ASN 13 HD2 ASN 13 17.022 -5.067 -3.476 95 2HD2 ASN 13 HD2 ASN 13 17.816 -6.252 -2.538 96 H TYR 14 HN TYR 14 18.931 -4.998 -8.163 97 HA TYR 14 HA TYR 14 18.020 -2.376 -8.008 98 1HB TYR 14 HB1 TYR 14 20.251 -2.948 -8.850 99 2HB TYR 14 HB2 TYR 14 19.568 -3.911 -10.151 100 HD1 TYR 14 HD1 TYR 14 19.700 -2.971 -12.238 101 HD2 TYR 14 HD2 TYR 14 19.220 -0.387 -8.883 102 HE1 TYR 14 HE1 TYR 14 19.771 -1.026 -13.719 103 HE2 TYR 14 HE2 TYR 14 19.285 1.542 -10.376 104 HH TYR 14 HH TYR 14 18.971 1.257 -13.691 105 H THR 15 HN THR 15 16.579 -1.120 -9.120 106 HA THR 15 HA THR 15 14.577 -2.594 -10.684 107 HB THR 15 HB THR 15 14.708 0.076 -9.246 108 HG1 THR 15 HG1 THR 15 13.428 -2.435 -9.047 109 1HG2 THR 15 HG2 THR 15 13.231 0.388 -11.269 110 2HG2 THR 15 HG2 THR 15 12.303 -1.044 -10.722 111 3HG2 THR 15 HG2 THR 15 12.383 0.418 -9.693 112 H SER 16 HN SER 16 15.840 0.698 -11.089 113 HA SER 16 HA SER 16 16.931 1.662 -12.933 114 1HB SER 16 HB1 SER 16 17.446 -0.953 -13.736 115 2HB SER 16 HB2 SER 16 16.206 -0.524 -14.907 116 HG SER 16 HG SER 16 17.627 0.737 -15.835 117 H ASP 17 HN ASP 17 13.981 -0.157 -13.309 118 HA ASP 17 HA ASP 17 12.716 2.214 -14.555 119 1HB ASP 17 HB1 ASP 17 11.563 0.621 -16.138 120 2HB ASP 17 HB2 ASP 17 13.299 0.798 -16.349 121 H CYS 18 HN CYS 18 12.067 2.396 -12.254 122 HA CYS 18 HA CYS 18 10.556 0.624 -10.744 123 1HB CYS 18 HB1 CYS 18 11.273 3.163 -10.446 124 2HB CYS 18 HB2 CYS 18 9.681 3.542 -11.002 125 H ASN 19 HN ASN 19 8.965 3.044 -12.758 126 HA ASN 19 HA ASN 19 6.429 2.030 -12.878 127 1HB ASN 19 HB1 ASN 19 7.463 4.008 -14.224 128 2HB ASN 19 HB2 ASN 19 7.745 2.826 -15.492 129 1HD2 ASN 19 HD2 ASN 19 5.664 1.270 -15.782 130 2HD2 ASN 19 HD2 ASN 19 4.197 2.111 -15.868 131 H GLY 20 HN GLY 20 9.228 0.804 -14.449 132 1HA GLY 20 HA1 GLY 20 7.922 -1.165 -16.122 133 2HA GLY 20 HA2 GLY 20 9.629 -1.125 -15.729 134 H GLU 21 HN GLU 21 9.814 -1.471 -13.239 135 HA GLU 21 HA GLU 21 9.367 -4.197 -12.675 136 1HB GLU 21 HB1 GLU 21 11.014 -2.532 -11.791 137 2HB GLU 21 HB2 GLU 21 9.793 -1.830 -10.827 138 1HG GLU 21 HG1 GLU 21 10.620 -3.166 -9.207 139 2HG GLU 21 HG2 GLU 21 9.679 -4.415 -9.857 140 H CYS 22 HN CYS 22 7.523 -1.400 -11.985 141 HA CYS 22 HA CYS 22 5.557 -2.679 -10.271 142 1HB CYS 22 HB1 CYS 22 5.884 0.006 -11.526 143 2HB CYS 22 HB2 CYS 22 4.271 -0.433 -11.138 144 H LEU 23 HN LEU 23 5.679 -1.634 -13.699 145 HA LEU 23 HA LEU 23 3.107 -2.513 -14.398 146 1HB LEU 23 HB1 LEU 23 5.708 -1.950 -15.800 147 2HB LEU 23 HB2 LEU 23 4.499 -2.800 -16.675 148 HG LEU 23 HG LEU 23 4.069 -0.080 -15.359 149 1HD1 LEU 23 HD1 LEU 23 5.744 -0.065 -17.213 150 2HD1 LEU 23 HD1 LEU 23 4.546 -0.871 -18.262 151 3HD1 LEU 23 HD1 LEU 23 4.245 0.795 -17.686 152 1HD2 LEU 23 HD2 LEU 23 1.984 -1.338 -15.696 153 2HD2 LEU 23 HD2 LEU 23 2.086 0.045 -16.812 154 3HD2 LEU 23 HD2 LEU 23 2.436 -1.610 -17.406 155 H LEU 24 HN LEU 24 6.200 -4.082 -14.006 156 HA LEU 24 HA LEU 24 5.665 -6.497 -15.357 157 1HB LEU 24 HB1 LEU 24 7.675 -5.328 -13.616 158 2HB LEU 24 HB2 LEU 24 7.283 -6.890 -12.988 159 HG LEU 24 HG LEU 24 7.966 -6.235 -15.873 160 1HD1 LEU 24 HD1 LEU 24 9.730 -7.407 -13.682 161 2HD1 LEU 24 HD1 LEU 24 10.180 -7.266 -15.409 162 3HD1 LEU 24 HD1 LEU 24 9.887 -5.795 -14.446 163 1HD2 LEU 24 HD2 LEU 24 6.692 -8.344 -15.609 164 2HD2 LEU 24 HD2 LEU 24 8.369 -8.684 -16.115 165 3HD2 LEU 24 HD2 LEU 24 7.890 -8.907 -14.404 166 H ARG 25 HN ARG 25 4.933 -5.385 -12.282 167 HA ARG 25 HA ARG 25 3.614 -7.906 -11.439 168 1HB ARG 25 HB1 ARG 25 4.472 -5.376 -10.036 169 2HB ARG 25 HB2 ARG 25 3.150 -6.293 -9.355 170 1HG ARG 25 HG1 ARG 25 4.521 -7.866 -8.448 171 2HG ARG 25 HG2 ARG 25 5.352 -8.123 -9.966 172 1HD ARG 25 HD1 ARG 25 5.986 -5.644 -8.364 173 2HD ARG 25 HD2 ARG 25 6.790 -7.081 -7.841 174 HE ARG 25 HE ARG 25 6.993 -5.803 -10.513 175 1HH1 ARG 25 HH1 ARG 25 10.285 -6.780 -10.692 176 2HH1 ARG 25 HH1 ARG 25 9.173 -5.542 -10.950 177 1HH2 ARG 25 HH2 ARG 25 9.331 -8.793 -9.501 178 2HH2 ARG 25 HH2 ARG 25 7.665 -8.667 -9.021 179 H GLY 26 HN GLY 26 2.729 -5.401 -13.275 180 1HA GLY 26 HA1 GLY 26 0.599 -4.901 -14.144 181 2HA GLY 26 HA2 GLY 26 -0.117 -5.970 -12.939 182 H TYR 27 HN TYR 27 2.075 -3.779 -11.673 183 HA TYR 27 HA TYR 27 -0.077 -2.330 -10.306 184 1HB TYR 27 HB1 TYR 27 2.945 -2.032 -10.140 185 2HB TYR 27 HB2 TYR 27 1.830 -1.240 -9.057 186 HD1 TYR 27 HD1 TYR 27 -0.101 -3.693 -8.708 187 HD2 TYR 27 HD2 TYR 27 4.142 -3.304 -8.527 188 HE1 TYR 27 HE1 TYR 27 0.016 -5.580 -7.198 189 HE2 TYR 27 HE2 TYR 27 4.246 -5.186 -6.995 190 HH TYR 27 HH TYR 27 1.715 -7.287 -6.564 191 H LYS 28 HN LYS 28 0.173 0.035 -10.042 192 HA LYS 28 HA LYS 28 0.262 1.192 -12.733 193 1HB LYS 28 HB1 LYS 28 -0.573 2.355 -10.033 194 2HB LYS 28 HB2 LYS 28 -0.912 3.068 -11.599 195 1HG LYS 28 HG1 LYS 28 -2.753 1.707 -11.864 196 2HG LYS 28 HG2 LYS 28 -1.754 0.296 -11.828 197 1HD LYS 28 HD1 LYS 28 -3.246 -0.117 -10.052 198 2HD LYS 28 HD2 LYS 28 -1.831 0.472 -9.204 199 1HE LYS 28 HE1 LYS 28 -2.772 2.744 -9.087 200 2HE LYS 28 HE2 LYS 28 -4.108 2.312 -10.145 201 1HZ LYS 28 HZ1 LYS 28 -5.244 1.605 -8.380 202 2HZ LYS 28 HZ2 LYS 28 -4.005 0.562 -7.874 203 3HZ LYS 28 HZ3 LYS 28 -3.999 2.176 -7.429 204 H GLY 29 HN GLY 29 1.266 3.250 -13.035 205 1HA GLY 29 HA1 GLY 29 3.938 3.331 -12.974 206 2HA GLY 29 HA2 GLY 29 3.019 4.823 -12.787 207 H GLY 30 HN GLY 30 5.121 2.614 -11.331 208 1HA GLY 30 HA1 GLY 30 4.635 3.427 -8.578 209 2HA GLY 30 HA2 GLY 30 5.942 2.379 -9.139 210 H HIS 31 HN HIS 31 7.041 3.702 -7.509 211 HA HIS 31 HA HIS 31 8.648 5.708 -8.848 212 1HB HIS 31 HB1 HIS 31 8.024 7.610 -7.278 213 2HB HIS 31 HB2 HIS 31 6.549 7.006 -8.034 214 HD1 HIS 31 HD1 HIS 31 5.353 5.065 -6.600 215 HD2 HIS 31 HD2 HIS 31 7.918 7.361 -4.319 216 HE1 HIS 31 HE1 HIS 31 4.754 4.600 -4.236 217 HE2 HIS 31 HE2 HIS 31 6.333 6.032 -2.917 218 H CYS 32 HN CYS 32 10.123 6.788 -7.075 219 HA CYS 32 HA CYS 32 11.131 4.564 -5.398 220 1HB CYS 32 HB1 CYS 32 12.401 7.160 -6.311 221 2HB CYS 32 HB2 CYS 32 13.145 6.013 -5.222 222 H GLY 33 HN GLY 33 11.548 4.890 -3.246 223 1HA GLY 33 HA1 GLY 33 9.657 6.214 -1.740 224 2HA GLY 33 HA2 GLY 33 11.209 5.749 -1.103 225 H SER 34 HN SER 34 9.539 8.140 -0.639 226 HA SER 34 HA SER 34 11.191 10.301 -1.800 227 1HB SER 34 HB1 SER 34 8.617 10.476 -1.680 228 2HB SER 34 HB2 SER 34 8.752 10.611 0.075 229 HG SER 34 HG SER 34 10.544 12.270 -1.080 230 H PHE 35 HN PHE 35 9.986 9.594 1.491 231 HA PHE 35 HA PHE 35 12.478 10.824 2.564 232 1HB PHE 35 HB1 PHE 35 9.960 11.330 3.333 233 2HB PHE 35 HB2 PHE 35 10.140 9.840 4.240 234 HD1 PHE 35 HD1 PHE 35 11.898 9.701 6.085 235 HD2 PHE 35 HD2 PHE 35 11.088 13.338 4.009 236 HE1 PHE 35 HE1 PHE 35 13.050 10.964 7.836 237 HE2 PHE 35 HE2 PHE 35 12.242 14.592 5.768 238 HZ PHE 35 HZ PHE 35 13.228 13.412 7.687 239 H ALA 36 HN ALA 36 12.155 8.129 1.287 240 HA ALA 36 HA ALA 36 13.930 6.776 2.987 241 1HB ALA 36 HB1 ALA 36 11.804 6.213 4.150 242 2HB ALA 36 HB2 ALA 36 11.127 5.634 2.596 243 3HB ALA 36 HB3 ALA 36 12.481 4.757 3.358 244 H ASN 37 HN ASN 37 14.428 7.550 0.616 245 HA ASN 37 HA ASN 37 13.681 5.959 -1.586 246 1HB ASN 37 HB1 ASN 37 14.810 8.319 -1.502 247 2HB ASN 37 HB2 ASN 37 16.326 7.477 -1.211 248 1HD2 ASN 37 HD2 ASN 37 13.687 7.895 -3.508 249 2HD2 ASN 37 HD2 ASN 37 14.596 7.417 -4.881 250 H VAL 38 HN VAL 38 16.280 5.278 -2.498 251 HA VAL 38 HA VAL 38 17.844 3.584 -2.541 252 HB VAL 38 HB VAL 38 18.711 2.603 -0.687 253 1HG1 VAL 38 HG1 VAL 38 19.086 4.864 -0.373 254 2HG1 VAL 38 HG1 VAL 38 17.557 5.063 0.541 255 3HG1 VAL 38 HG1 VAL 38 18.890 4.099 1.232 256 1HG2 VAL 38 HG2 VAL 38 16.200 2.486 0.918 257 2HG2 VAL 38 HG2 VAL 38 17.126 1.184 0.114 258 3HG2 VAL 38 HG2 VAL 38 17.839 2.083 1.485 259 H ASN 39 HN ASN 39 14.621 3.354 -2.216 260 HA ASN 39 HA ASN 39 14.559 0.663 -3.320 261 1HB ASN 39 HB1 ASN 39 13.291 1.387 -0.659 262 2HB ASN 39 HB2 ASN 39 12.457 0.320 -1.709 263 1HD2 ASN 39 HD2 ASN 39 14.744 0.404 0.787 264 2HD2 ASN 39 HD2 ASN 39 15.422 -1.130 0.495 265 H CYS 40 HN CYS 40 12.575 0.176 -4.400 266 HA CYS 40 HA CYS 40 11.047 2.644 -5.070 267 1HB CYS 40 HB1 CYS 40 12.397 0.732 -6.768 268 2HB CYS 40 HB2 CYS 40 10.684 0.546 -6.983 269 H TRP 41 HN TRP 41 8.839 2.422 -5.306 270 HA TRP 41 HA TRP 41 7.564 -0.039 -4.312 271 1HB TRP 41 HB1 TRP 41 6.938 2.688 -3.111 272 2HB TRP 41 HB2 TRP 41 6.279 1.156 -2.627 273 HD1 TRP 41 HD1 TRP 41 9.751 3.030 -2.519 274 HE1 TRP 41 HE1 TRP 41 10.898 2.070 -0.491 275 HE3 TRP 41 HE3 TRP 41 6.474 -0.488 -1.283 276 HZ2 TRP 41 HZ2 TRP 41 10.475 -0.030 1.560 277 HZ3 TRP 41 HZ3 TRP 41 6.713 -1.931 0.617 278 HH2 TRP 41 HH2 TRP 41 8.763 -1.728 2.099 279 H CYS 42 HN CYS 42 5.244 -0.067 -4.741 280 HA CYS 42 HA CYS 42 4.700 1.567 -7.150 281 1HB CYS 42 HB1 CYS 42 3.250 -0.831 -5.996 282 2HB CYS 42 HB2 CYS 42 2.684 0.058 -7.388 283 H GLU 43 HN GLU 43 2.119 1.950 -7.206 284 HA GLU 43 HA GLU 43 1.240 3.160 -4.672 285 1HB GLU 43 HB1 GLU 43 0.822 5.343 -5.968 286 2HB GLU 43 HB2 GLU 43 2.489 4.993 -5.597 287 1HG GLU 43 HG1 GLU 43 2.497 3.903 -8.047 288 2HG GLU 43 HG2 GLU 43 1.065 4.884 -8.261 289 H THR 44 HN THR 44 -0.083 1.337 -4.911 290 HA THR 44 HA THR 44 -2.139 1.266 -6.929 291 HB THR 44 HB THR 44 -2.691 -0.874 -5.517 292 HG1 THR 44 HG1 THR 44 -1.968 0.411 -3.684 293 1HG2 THR 44 HG2 THR 44 -0.541 -1.987 -5.756 294 2HG2 THR 44 HG2 THR 44 -0.658 -0.914 -7.178 295 3HG2 THR 44 HG2 THR 44 0.341 -0.432 -5.775 Start of MODEL 7 1 1H ASP 1 HT1 ASP 1 0.538 0.807 -0.362 2 2H ASP 1 HT2 ASP 1 1.699 -0.347 0.165 3 3H ASP 1 HT3 ASP 1 2.012 1.336 0.247 4 HA ASP 1 HA ASP 1 1.369 0.740 -2.388 5 1HB ASP 1 HB1 ASP 1 4.105 1.228 -1.101 6 2HB ASP 1 HB2 ASP 1 3.693 1.524 -2.776 7 H LYS 2 HN LYS 2 2.711 -0.670 -3.826 8 HA LYS 2 HA LYS 2 3.432 -3.215 -2.477 9 1HB LYS 2 HB1 LYS 2 1.793 -2.582 -4.813 10 2HB LYS 2 HB2 LYS 2 3.174 -3.505 -5.283 11 1HG LYS 2 HG1 LYS 2 1.388 -4.284 -2.898 12 2HG LYS 2 HG2 LYS 2 1.060 -4.856 -4.523 13 1HD LYS 2 HD1 LYS 2 2.732 -6.437 -4.460 14 2HD LYS 2 HD2 LYS 2 3.900 -5.329 -3.817 15 1HE LYS 2 HE1 LYS 2 3.474 -7.281 -2.343 16 2HE LYS 2 HE2 LYS 2 3.085 -5.774 -1.536 17 1HZ LYS 2 HZ1 LYS 2 1.392 -7.981 -2.070 18 2HZ LYS 2 HZ2 LYS 2 1.046 -6.600 -1.151 19 3HZ LYS 2 HZ3 LYS 2 0.762 -6.621 -2.834 20 H LEU 3 HN LEU 3 5.450 -3.289 -2.176 21 HA LEU 3 HA LEU 3 7.470 -1.749 -3.467 22 1HB LEU 3 HB1 LEU 3 7.570 -2.800 -1.158 23 2HB LEU 3 HB2 LEU 3 7.778 -4.364 -1.908 24 HG LEU 3 HG LEU 3 9.777 -2.188 -2.648 25 1HD1 LEU 3 HD1 LEU 3 11.122 -2.733 -0.695 26 2HD1 LEU 3 HD1 LEU 3 9.560 -2.014 -0.243 27 3HD1 LEU 3 HD1 LEU 3 9.802 -3.776 -0.058 28 1HD2 LEU 3 HD2 LEU 3 9.910 -4.522 -3.616 29 2HD2 LEU 3 HD2 LEU 3 11.324 -4.026 -2.646 30 3HD2 LEU 3 HD2 LEU 3 10.086 -5.131 -1.955 31 H ILE 4 HN ILE 4 9.208 -2.578 -4.676 32 HA ILE 4 HA ILE 4 8.570 -4.923 -6.421 33 HB ILE 4 HB ILE 4 9.454 -3.639 -8.406 34 1HG1 ILE 4 HG1 ILE 4 9.030 -1.082 -6.774 35 2HG1 ILE 4 HG1 ILE 4 10.620 -1.790 -6.957 36 1HG2 ILE 4 HG2 ILE 4 7.069 -2.427 -6.984 37 2HG2 ILE 4 HG2 ILE 4 7.380 -2.336 -8.746 38 3HG2 ILE 4 HG2 ILE 4 7.056 -3.914 -7.972 39 1HD1 ILE 4 HD1 ILE 4 8.870 -1.034 -9.290 40 2HD1 ILE 4 HD2 ILE 4 10.237 -0.111 -8.637 41 3HD1 ILE 4 HD3 ILE 4 10.538 -1.728 -9.316 42 H GLY 5 HN GLY 5 11.010 -2.618 -5.365 43 1HA GLY 5 HA1 GLY 5 12.942 -4.597 -4.744 44 2HA GLY 5 HA2 GLY 5 13.284 -3.986 -6.362 45 H SER 6 HN SER 6 15.258 -2.965 -5.734 46 HA SER 6 HA SER 6 15.100 -0.879 -3.723 47 1HB SER 6 HB1 SER 6 17.497 -1.939 -5.227 48 2HB SER 6 HB2 SER 6 17.381 -1.172 -3.654 49 HG SER 6 HG SER 6 17.430 -3.591 -4.070 50 H CYS 7 HN CYS 7 16.417 1.072 -4.324 51 HA CYS 7 HA CYS 7 16.187 1.878 -7.187 52 1HB CYS 7 HB1 CYS 7 14.183 2.823 -6.168 53 2HB CYS 7 HB2 CYS 7 15.054 3.357 -4.751 54 H VAL 8 HN VAL 8 18.486 1.009 -6.175 55 HA VAL 8 HA VAL 8 20.067 3.494 -5.753 56 HB VAL 8 HB VAL 8 20.718 0.796 -4.515 57 1HG1 VAL 8 HG1 VAL 8 21.775 3.561 -3.912 58 2HG1 VAL 8 HG1 VAL 8 22.231 2.051 -3.068 59 3HG1 VAL 8 HG1 VAL 8 22.645 2.265 -4.790 60 1HG2 VAL 8 HG2 VAL 8 20.003 1.705 -2.379 61 2HG2 VAL 8 HG2 VAL 8 19.344 3.140 -3.239 62 3HG2 VAL 8 HG2 VAL 8 18.663 1.511 -3.540 63 H TRP 9 HN TRP 9 21.636 3.693 -7.181 64 HA TRP 9 HA TRP 9 22.096 1.625 -9.202 65 1HB TRP 9 HB1 TRP 9 22.916 4.527 -8.805 66 2HB TRP 9 HB2 TRP 9 23.955 3.533 -9.808 67 HD1 TRP 9 HD1 TRP 9 23.254 3.360 -12.304 68 HE1 TRP 9 HE1 TRP 9 21.062 3.693 -13.464 69 HE3 TRP 9 HE3 TRP 9 20.295 4.264 -8.359 70 HZ2 TRP 9 HZ2 TRP 9 18.264 4.252 -12.850 71 HZ3 TRP 9 HZ3 TRP 9 17.881 4.689 -8.602 72 HH2 TRP 9 HH2 TRP 9 16.866 4.680 -10.871 73 H GLY 10 HN GLY 10 22.642 0.329 -7.168 74 1HA GLY 10 HA1 GLY 10 25.097 -0.768 -7.236 75 2HA GLY 10 HA2 GLY 10 25.387 0.653 -6.232 76 H ALA 11 HN ALA 11 22.997 -1.958 -6.507 77 HA ALA 11 HA ALA 11 23.441 -2.903 -3.826 78 1HB ALA 11 HB1 ALA 11 20.870 -1.421 -4.458 79 2HB ALA 11 HB2 ALA 11 21.198 -2.310 -2.943 80 3HB ALA 11 HB3 ALA 11 22.152 -0.853 -3.343 81 H VAL 12 HN VAL 12 21.437 -4.347 -3.273 82 HA VAL 12 HA VAL 12 21.227 -6.262 -5.472 83 HB VAL 12 HB VAL 12 19.724 -6.512 -2.879 84 1HG1 VAL 12 HG1 VAL 12 21.160 -8.552 -4.555 85 2HG1 VAL 12 HG1 VAL 12 20.317 -8.871 -3.010 86 3HG1 VAL 12 HG1 VAL 12 19.385 -8.312 -4.413 87 1HG2 VAL 12 HG2 VAL 12 21.712 -7.492 -1.769 88 2HG2 VAL 12 HG2 VAL 12 22.701 -7.011 -3.182 89 3HG2 VAL 12 HG2 VAL 12 21.939 -5.766 -2.142 90 H ASN 13 HN ASN 13 19.073 -7.214 -5.872 91 HA ASN 13 HA ASN 13 17.029 -6.872 -7.028 92 1HB ASN 13 HB1 ASN 13 16.032 -5.240 -4.773 93 2HB ASN 13 HB2 ASN 13 15.331 -6.675 -5.473 94 1HD2 ASN 13 HD2 ASN 13 17.129 -5.484 -2.897 95 2HD2 ASN 13 HD2 ASN 13 17.553 -6.966 -2.155 96 H TYR 14 HN TYR 14 19.130 -4.917 -7.358 97 HA TYR 14 HA TYR 14 18.256 -2.243 -7.389 98 1HB TYR 14 HB1 TYR 14 20.577 -2.687 -7.672 99 2HB TYR 14 HB2 TYR 14 20.299 -3.865 -8.932 100 HD1 TYR 14 HD1 TYR 14 19.292 -0.232 -8.565 101 HD2 TYR 14 HD2 TYR 14 21.299 -3.198 -10.868 102 HE1 TYR 14 HE1 TYR 14 19.792 1.431 -10.262 103 HE2 TYR 14 HE2 TYR 14 21.813 -1.516 -12.570 104 HH TYR 14 HH TYR 14 20.962 1.862 -12.106 105 H THR 15 HN THR 15 17.004 -1.110 -8.705 106 HA THR 15 HA THR 15 15.815 -2.476 -11.064 107 HB THR 15 HB THR 15 14.645 -1.400 -8.607 108 HG1 THR 15 HG1 THR 15 13.532 -2.531 -10.928 109 1HG2 THR 15 HG2 THR 15 13.338 -0.275 -11.108 110 2HG2 THR 15 HG2 THR 15 12.749 -0.229 -9.423 111 3HG2 THR 15 HG2 THR 15 14.205 0.698 -9.870 112 H SER 16 HN SER 16 14.719 -0.740 -12.459 113 HA SER 16 HA SER 16 16.455 1.667 -12.795 114 1HB SER 16 HB1 SER 16 17.339 -0.337 -14.235 115 2HB SER 16 HB2 SER 16 15.850 -0.167 -15.174 116 HG SER 16 HG SER 16 18.057 1.332 -15.278 117 H ASP 17 HN ASP 17 13.728 -0.162 -14.111 118 HA ASP 17 HA ASP 17 12.300 2.407 -14.608 119 1HB ASP 17 HB1 ASP 17 10.977 0.979 -16.222 120 2HB ASP 17 HB2 ASP 17 12.654 1.229 -16.668 121 H CYS 18 HN CYS 18 11.991 2.263 -12.273 122 HA CYS 18 HA CYS 18 10.574 0.412 -10.798 123 1HB CYS 18 HB1 CYS 18 11.362 2.890 -10.237 124 2HB CYS 18 HB2 CYS 18 9.775 3.349 -10.746 125 H ASN 19 HN ASN 19 9.302 2.673 -13.141 126 HA ASN 19 HA ASN 19 6.542 2.009 -12.886 127 1HB ASN 19 HB1 ASN 19 7.427 3.958 -14.216 128 2HB ASN 19 HB2 ASN 19 7.988 2.839 -15.441 129 1HD2 ASN 19 HD2 ASN 19 5.132 1.342 -14.499 130 2HD2 ASN 19 HD2 ASN 19 4.091 2.177 -15.542 131 H GLY 20 HN GLY 20 9.015 0.800 -15.090 132 1HA GLY 20 HA1 GLY 20 7.350 -1.136 -16.379 133 2HA GLY 20 HA2 GLY 20 9.094 -1.194 -16.381 134 H GLU 21 HN GLU 21 9.776 -1.579 -13.903 135 HA GLU 21 HA GLU 21 9.330 -4.271 -13.270 136 1HB GLU 21 HB1 GLU 21 10.497 -1.953 -11.865 137 2HB GLU 21 HB2 GLU 21 9.679 -2.991 -10.731 138 1HG GLU 21 HG1 GLU 21 11.793 -3.908 -10.726 139 2HG GLU 21 HG2 GLU 21 11.039 -4.907 -11.934 140 H CYS 22 HN CYS 22 7.470 -1.454 -12.365 141 HA CYS 22 HA CYS 22 5.813 -2.845 -10.457 142 1HB CYS 22 HB1 CYS 22 5.841 -0.116 -11.705 143 2HB CYS 22 HB2 CYS 22 4.343 -0.659 -11.063 144 H LEU 23 HN LEU 23 5.547 -1.785 -13.846 145 HA LEU 23 HA LEU 23 2.916 -2.705 -14.249 146 1HB LEU 23 HB1 LEU 23 5.340 -2.158 -15.957 147 2HB LEU 23 HB2 LEU 23 3.902 -2.793 -16.655 148 HG LEU 23 HG LEU 23 3.995 -0.232 -14.984 149 1HD1 LEU 23 HD1 LEU 23 5.367 -0.006 -17.012 150 2HD1 LEU 23 HD1 LEU 23 4.001 -0.600 -18.007 151 3HD1 LEU 23 HD1 LEU 23 3.882 0.973 -17.164 152 1HD2 LEU 23 HD2 LEU 23 1.913 -1.263 -16.922 153 2HD2 LEU 23 HD2 LEU 23 1.754 -1.207 -15.142 154 3HD2 LEU 23 HD2 LEU 23 1.850 0.312 -16.071 155 H LEU 24 HN LEU 24 6.038 -4.213 -14.233 156 HA LEU 24 HA LEU 24 5.368 -6.642 -15.535 157 1HB LEU 24 HB1 LEU 24 7.548 -5.438 -14.047 158 2HB LEU 24 HB2 LEU 24 7.320 -7.033 -13.451 159 HG LEU 24 HG LEU 24 7.654 -6.192 -16.371 160 1HD1 LEU 24 HD1 LEU 24 9.633 -7.490 -14.461 161 2HD1 LEU 24 HD1 LEU 24 9.923 -7.167 -16.196 162 3HD1 LEU 24 HD1 LEU 24 9.695 -5.806 -15.068 163 1HD2 LEU 24 HD2 LEU 24 8.078 -8.585 -16.837 164 2HD2 LEU 24 HD2 LEU 24 7.781 -8.961 -15.111 165 3HD2 LEU 24 HD2 LEU 24 6.454 -8.345 -16.142 166 H ARG 25 HN ARG 25 4.976 -5.516 -12.421 167 HA ARG 25 HA ARG 25 3.851 -8.047 -11.356 168 1HB ARG 25 HB1 ARG 25 4.992 -5.508 -10.221 169 2HB ARG 25 HB2 ARG 25 3.699 -6.216 -9.273 170 1HG ARG 25 HG1 ARG 25 4.956 -8.063 -8.650 171 2HG ARG 25 HG2 ARG 25 5.724 -8.192 -10.210 172 1HD ARG 25 HD1 ARG 25 6.474 -6.006 -8.226 173 2HD ARG 25 HD2 ARG 25 7.360 -7.505 -8.193 174 HE ARG 25 HE ARG 25 7.412 -5.494 -10.344 175 1HH1 ARG 25 HH1 ARG 25 10.324 -6.919 -11.412 176 2HH1 ARG 25 HH1 ARG 25 9.623 -5.458 -10.817 177 1HH2 ARG 25 HH2 ARG 25 9.108 -8.967 -10.997 178 2HH2 ARG 25 HH2 ARG 25 7.579 -8.794 -10.223 179 H GLY 26 HN GLY 26 2.706 -5.561 -13.098 180 1HA GLY 26 HA1 GLY 26 0.454 -5.224 -13.769 181 2HA GLY 26 HA2 GLY 26 -0.088 -6.171 -12.384 182 H TYR 27 HN TYR 27 2.198 -3.976 -11.435 183 HA TYR 27 HA TYR 27 0.142 -2.311 -10.159 184 1HB TYR 27 HB1 TYR 27 3.186 -2.395 -9.914 185 2HB TYR 27 HB2 TYR 27 2.117 -1.485 -8.863 186 HD1 TYR 27 HD1 TYR 27 3.887 -3.501 -7.688 187 HD2 TYR 27 HD2 TYR 27 -0.036 -4.070 -9.272 188 HE1 TYR 27 HE1 TYR 27 3.564 -5.473 -6.291 189 HE2 TYR 27 HE2 TYR 27 -0.337 -5.987 -7.896 190 HH TYR 27 HH TYR 27 1.264 -7.731 -6.804 191 H LYS 28 HN LYS 28 0.417 0.014 -10.072 192 HA LYS 28 HA LYS 28 0.699 0.955 -12.832 193 1HB LYS 28 HB1 LYS 28 -0.187 3.152 -11.776 194 2HB LYS 28 HB2 LYS 28 -1.277 1.787 -11.821 195 1HG LYS 28 HG1 LYS 28 0.475 2.146 -9.395 196 2HG LYS 28 HG2 LYS 28 -0.805 3.296 -9.599 197 1HD LYS 28 HD1 LYS 28 -1.760 0.489 -9.990 198 2HD LYS 28 HD2 LYS 28 -1.026 0.708 -8.430 199 1HE LYS 28 HE1 LYS 28 -3.498 1.239 -8.390 200 2HE LYS 28 HE2 LYS 28 -2.543 2.642 -7.943 201 1HZ LYS 28 HZ1 LYS 28 -3.374 3.745 -9.576 202 2HZ LYS 28 HZ2 LYS 28 -2.752 2.668 -10.703 203 3HZ LYS 28 HZ3 LYS 28 -4.336 2.434 -10.092 204 H GLY 29 HN GLY 29 1.705 3.000 -13.197 205 1HA GLY 29 HA1 GLY 29 4.380 3.126 -13.080 206 2HA GLY 29 HA2 GLY 29 3.432 4.606 -12.955 207 H GLY 30 HN GLY 30 5.416 2.337 -11.294 208 1HA GLY 30 HA1 GLY 30 4.839 3.316 -8.624 209 2HA GLY 30 HA2 GLY 30 6.168 2.239 -9.097 210 H HIS 31 HN HIS 31 7.232 3.644 -7.482 211 HA HIS 31 HA HIS 31 8.886 5.566 -8.878 212 1HB HIS 31 HB1 HIS 31 8.303 7.456 -7.207 213 2HB HIS 31 HB2 HIS 31 7.011 7.080 -8.342 214 HD1 HIS 31 HD1 HIS 31 4.846 6.652 -7.223 215 HD2 HIS 31 HD2 HIS 31 7.901 5.777 -4.532 216 HE1 HIS 31 HE1 HIS 31 3.734 5.977 -5.124 217 HE2 HIS 31 HE2 HIS 31 5.563 5.456 -3.546 218 H CYS 32 HN CYS 32 10.453 6.608 -7.244 219 HA CYS 32 HA CYS 32 11.461 4.437 -5.585 220 1HB CYS 32 HB1 CYS 32 12.486 7.215 -6.274 221 2HB CYS 32 HB2 CYS 32 13.298 6.139 -5.165 222 H GLY 33 HN GLY 33 11.777 4.621 -3.346 223 1HA GLY 33 HA1 GLY 33 9.813 5.309 -1.710 224 2HA GLY 33 HA2 GLY 33 11.439 5.542 -1.194 225 H SER 34 HN SER 34 12.338 7.651 -1.381 226 HA SER 34 HA SER 34 10.525 9.874 -2.031 227 1HB SER 34 HB1 SER 34 11.071 10.831 0.325 228 2HB SER 34 HB2 SER 34 10.020 9.400 0.336 229 HG SER 34 HG SER 34 12.288 9.532 1.520 230 H PHE 35 HN PHE 35 13.558 9.160 -0.443 231 HA PHE 35 HA PHE 35 15.230 10.324 -2.445 232 1HB PHE 35 HB1 PHE 35 14.022 12.300 -1.237 233 2HB PHE 35 HB2 PHE 35 15.071 11.943 0.109 234 HD1 PHE 35 HD1 PHE 35 17.654 11.891 -0.328 235 HD2 PHE 35 HD2 PHE 35 14.857 13.612 -3.050 236 HE1 PHE 35 HE1 PHE 35 19.462 13.141 -1.401 237 HE2 PHE 35 HE2 PHE 35 16.677 14.868 -4.117 238 HZ PHE 35 HZ PHE 35 18.983 14.634 -3.295 239 H ALA 36 HN ALA 36 16.131 8.383 -2.091 240 HA ALA 36 HA ALA 36 18.086 7.211 -1.494 241 1HB ALA 36 HB1 ALA 36 19.356 7.703 0.491 242 2HB ALA 36 HB2 ALA 36 19.045 9.232 -0.392 243 3HB ALA 36 HB3 ALA 36 18.125 8.824 1.098 244 H ASN 37 HN ASN 37 15.357 6.662 -1.000 245 HA ASN 37 HA ASN 37 15.133 5.380 1.564 246 1HB ASN 37 HB1 ASN 37 13.196 6.384 0.294 247 2HB ASN 37 HB2 ASN 37 13.385 5.083 -0.893 248 1HD2 ASN 37 HD2 ASN 37 11.869 3.430 -0.489 249 2HD2 ASN 37 HD2 ASN 37 11.332 3.046 1.091 250 H VAL 38 HN VAL 38 16.651 4.711 -1.258 251 HA VAL 38 HA VAL 38 17.376 2.842 -2.370 252 HB VAL 38 HB VAL 38 18.598 1.303 -0.892 253 1HG1 VAL 38 HG1 VAL 38 19.967 2.943 0.426 254 2HG1 VAL 38 HG1 VAL 38 19.591 3.564 -1.205 255 3HG1 VAL 38 HG1 VAL 38 18.657 4.141 0.204 256 1HG2 VAL 38 HG2 VAL 38 17.245 2.557 1.491 257 2HG2 VAL 38 HG2 VAL 38 17.009 0.896 0.852 258 3HG2 VAL 38 HG2 VAL 38 18.591 1.381 1.515 259 H ASN 39 HN ASN 39 14.549 2.912 -1.831 260 HA ASN 39 HA ASN 39 13.934 0.127 -2.420 261 1HB ASN 39 HB1 ASN 39 12.680 1.531 -0.013 262 2HB ASN 39 HB2 ASN 39 12.074 0.172 -0.883 263 1HD2 ASN 39 HD2 ASN 39 14.676 1.184 1.263 264 2HD2 ASN 39 HD2 ASN 39 15.174 -0.400 1.642 265 H CYS 40 HN CYS 40 12.504 0.082 -4.025 266 HA CYS 40 HA CYS 40 11.051 2.603 -4.667 267 1HB CYS 40 HB1 CYS 40 12.581 0.898 -6.326 268 2HB CYS 40 HB2 CYS 40 10.950 0.416 -6.675 269 H TRP 41 HN TRP 41 8.931 2.619 -4.745 270 HA TRP 41 HA TRP 41 7.444 0.139 -4.032 271 1HB TRP 41 HB1 TRP 41 7.033 2.928 -2.898 272 2HB TRP 41 HB2 TRP 41 5.902 1.612 -2.737 273 HD1 TRP 41 HD1 TRP 41 9.621 2.482 -1.792 274 HE1 TRP 41 HE1 TRP 41 10.083 1.098 0.246 275 HE3 TRP 41 HE3 TRP 41 5.395 -0.160 -1.546 276 HZ2 TRP 41 HZ2 TRP 41 8.820 -0.942 1.916 277 HZ3 TRP 41 HZ3 TRP 41 4.979 -1.801 0.226 278 HH2 TRP 41 HH2 TRP 41 6.703 -2.206 1.973 279 H CYS 42 HN CYS 42 5.321 -0.012 -4.885 280 HA CYS 42 HA CYS 42 5.112 1.455 -7.388 281 1HB CYS 42 HB1 CYS 42 3.450 -0.760 -6.193 282 2HB CYS 42 HB2 CYS 42 3.028 0.058 -7.687 283 H GLU 43 HN GLU 43 3.055 2.446 -7.972 284 HA GLU 43 HA GLU 43 2.111 4.172 -5.757 285 1HB GLU 43 HB1 GLU 43 3.220 4.937 -8.061 286 2HB GLU 43 HB2 GLU 43 1.681 4.542 -8.757 287 1HG GLU 43 HG1 GLU 43 0.578 6.344 -7.677 288 2HG GLU 43 HG2 GLU 43 1.835 6.533 -6.469 289 H THR 44 HN THR 44 1.168 1.880 -5.394 290 HA THR 44 HA THR 44 -1.485 1.599 -6.662 291 HB THR 44 HB THR 44 -0.278 -0.554 -6.479 292 HG1 THR 44 HG1 THR 44 -2.540 0.085 -5.021 293 1HG2 THR 44 HG2 THR 44 1.030 -0.005 -4.388 294 2HG2 THR 44 HG2 THR 44 -0.503 -0.127 -3.472 295 3HG2 THR 44 HG2 THR 44 0.138 -1.564 -4.305 Start of MODEL 8 1 1H ASP 1 HT1 ASP 1 0.506 0.294 -0.019 2 2H ASP 1 HT2 ASP 1 1.881 -0.633 0.449 3 3H ASP 1 HT3 ASP 1 1.954 1.036 0.505 4 HA ASP 1 HA ASP 1 1.329 0.308 -2.119 5 1HB ASP 1 HB1 ASP 1 3.811 1.126 -2.410 6 2HB ASP 1 HB2 ASP 1 2.617 2.257 -1.862 7 H LYS 2 HN LYS 2 2.584 -0.964 -3.539 8 HA LYS 2 HA LYS 2 3.578 -3.453 -2.325 9 1HB LYS 2 HB1 LYS 2 2.271 -2.584 -4.833 10 2HB LYS 2 HB2 LYS 2 3.437 -3.796 -5.055 11 1HG LYS 2 HG1 LYS 2 0.957 -3.879 -3.251 12 2HG LYS 2 HG2 LYS 2 1.151 -4.774 -4.742 13 1HD LYS 2 HD1 LYS 2 3.212 -5.925 -3.568 14 2HD LYS 2 HD2 LYS 2 2.598 -5.235 -2.083 15 1HE LYS 2 HE1 LYS 2 1.739 -7.477 -2.263 16 2HE LYS 2 HE2 LYS 2 0.410 -6.338 -2.433 17 1HZ LYS 2 HZ1 LYS 2 1.535 -6.849 -4.996 18 2HZ LYS 2 HZ2 LYS 2 1.254 -8.310 -4.227 19 3HZ LYS 2 HZ3 LYS 2 -0.036 -7.250 -4.432 20 H LEU 3 HN LEU 3 5.616 -3.190 -1.851 21 HA LEU 3 HA LEU 3 7.527 -1.599 -3.199 22 1HB LEU 3 HB1 LEU 3 7.685 -2.550 -0.882 23 2HB LEU 3 HB2 LEU 3 7.940 -4.136 -1.563 24 HG LEU 3 HG LEU 3 9.883 -1.890 -2.289 25 1HD1 LEU 3 HD1 LEU 3 9.568 -1.829 0.129 26 2HD1 LEU 3 HD1 LEU 3 9.883 -3.583 0.238 27 3HD1 LEU 3 HD1 LEU 3 11.179 -2.464 -0.297 28 1HD2 LEU 3 HD2 LEU 3 11.489 -3.677 -2.331 29 2HD2 LEU 3 HD2 LEU 3 10.295 -4.843 -1.662 30 3HD2 LEU 3 HD2 LEU 3 10.105 -4.225 -3.316 31 H ILE 4 HN ILE 4 9.341 -2.371 -4.397 32 HA ILE 4 HA ILE 4 8.860 -4.809 -6.052 33 HB ILE 4 HB ILE 4 9.745 -3.536 -8.097 34 1HG1 ILE 4 HG1 ILE 4 9.028 -1.037 -6.511 35 2HG1 ILE 4 HG1 ILE 4 10.689 -1.551 -6.800 36 1HG2 ILE 4 HG2 ILE 4 7.181 -2.506 -6.872 37 2HG2 ILE 4 HG2 ILE 4 7.540 -2.608 -8.630 38 3HG2 ILE 4 HG2 ILE 4 7.325 -4.091 -7.652 39 1HD1 ILE 4 HD1 ILE 4 10.051 0.057 -8.467 40 2HD1 ILE 4 HD2 ILE 4 10.262 -1.547 -9.230 41 3HD1 ILE 4 HD3 ILE 4 8.619 -0.898 -8.912 42 H GLY 5 HN GLY 5 11.173 -2.302 -5.058 43 1HA GLY 5 HA1 GLY 5 13.184 -4.187 -4.421 44 2HA GLY 5 HA2 GLY 5 13.503 -3.523 -6.023 45 H SER 6 HN SER 6 15.395 -2.646 -5.123 46 HA SER 6 HA SER 6 15.126 -0.434 -3.181 47 1HB SER 6 HB1 SER 6 17.072 -1.968 -2.826 48 2HB SER 6 HB2 SER 6 17.604 -1.702 -4.480 49 HG SER 6 HG SER 6 17.302 0.518 -2.687 50 H CYS 7 HN CYS 7 16.285 1.536 -3.745 51 HA CYS 7 HA CYS 7 16.265 2.316 -6.596 52 1HB CYS 7 HB1 CYS 7 14.180 3.168 -5.485 53 2HB CYS 7 HB2 CYS 7 15.149 3.908 -4.232 54 H VAL 8 HN VAL 8 18.412 1.415 -4.978 55 HA VAL 8 HA VAL 8 19.983 3.929 -4.570 56 HB VAL 8 HB VAL 8 20.533 1.103 -3.524 57 1HG1 VAL 8 HG1 VAL 8 22.279 2.137 -2.151 58 2HG1 VAL 8 HG1 VAL 8 22.598 2.369 -3.886 59 3HG1 VAL 8 HG1 VAL 8 21.934 3.720 -2.916 60 1HG2 VAL 8 HG2 VAL 8 18.655 2.135 -2.419 61 2HG2 VAL 8 HG2 VAL 8 20.036 1.992 -1.306 62 3HG2 VAL 8 HG2 VAL 8 19.651 3.580 -2.048 63 H TRP 9 HN TRP 9 21.459 4.351 -6.030 64 HA TRP 9 HA TRP 9 22.031 2.464 -8.193 65 1HB TRP 9 HB1 TRP 9 22.949 5.319 -7.580 66 2HB TRP 9 HB2 TRP 9 23.353 4.448 -9.059 67 HD1 TRP 9 HD1 TRP 9 20.120 5.606 -7.065 68 HE1 TRP 9 HE1 TRP 9 18.330 5.763 -8.777 69 HE3 TRP 9 HE3 TRP 9 22.610 3.943 -11.103 70 HZ2 TRP 9 HZ2 TRP 9 17.876 5.266 -11.608 71 HZ3 TRP 9 HZ3 TRP 9 21.510 3.774 -13.310 72 HH2 TRP 9 HH2 TRP 9 19.139 4.436 -13.562 73 H GLY 10 HN GLY 10 22.751 1.000 -6.513 74 1HA GLY 10 HA1 GLY 10 25.226 0.047 -6.618 75 2HA GLY 10 HA2 GLY 10 25.522 1.405 -5.538 76 H ALA 11 HN ALA 11 23.082 -1.151 -5.860 77 HA ALA 11 HA ALA 11 23.698 -2.271 -3.258 78 1HB ALA 11 HB1 ALA 11 22.258 -0.339 -2.660 79 2HB ALA 11 HB2 ALA 11 21.015 -0.955 -3.797 80 3HB ALA 11 HB3 ALA 11 21.420 -1.883 -2.328 81 H VAL 12 HN VAL 12 21.816 -3.860 -2.764 82 HA VAL 12 HA VAL 12 21.663 -5.681 -5.043 83 HB VAL 12 HB VAL 12 20.235 -6.118 -2.421 84 1HG1 VAL 12 HG1 VAL 12 21.763 -8.000 -4.213 85 2HG1 VAL 12 HG1 VAL 12 20.965 -8.440 -2.675 86 3HG1 VAL 12 HG1 VAL 12 19.977 -7.882 -4.042 87 1HG2 VAL 12 HG2 VAL 12 22.418 -5.279 -1.706 88 2HG2 VAL 12 HG2 VAL 12 22.295 -7.027 -1.403 89 3HG2 VAL 12 HG2 VAL 12 23.219 -6.430 -2.820 90 H ASN 13 HN ASN 13 19.527 -6.753 -5.397 91 HA ASN 13 HA ASN 13 17.445 -6.479 -6.484 92 1HB ASN 13 HB1 ASN 13 16.946 -5.163 -3.855 93 2HB ASN 13 HB2 ASN 13 15.675 -5.701 -4.934 94 1HD2 ASN 13 HD2 ASN 13 17.362 -6.659 -2.229 95 2HD2 ASN 13 HD2 ASN 13 17.192 -8.342 -2.395 96 H TYR 14 HN TYR 14 19.460 -4.394 -6.865 97 HA TYR 14 HA TYR 14 18.359 -1.802 -6.792 98 1HB TYR 14 HB1 TYR 14 20.689 -1.768 -7.199 99 2HB TYR 14 HB2 TYR 14 20.642 -3.147 -8.271 100 HD1 TYR 14 HD1 TYR 14 19.913 -2.939 -10.588 101 HD2 TYR 14 HD2 TYR 14 20.334 0.535 -8.172 102 HE1 TYR 14 HE1 TYR 14 19.837 -1.543 -12.581 103 HE2 TYR 14 HE2 TYR 14 20.257 1.937 -10.185 104 HH TYR 14 HH TYR 14 19.101 0.713 -12.994 105 H THR 15 HN THR 15 16.945 -0.714 -8.091 106 HA THR 15 HA THR 15 15.984 -2.149 -10.489 107 HB THR 15 HB THR 15 14.588 -0.711 -8.227 108 HG1 THR 15 HG1 THR 15 13.405 -2.968 -9.391 109 1HG2 THR 15 HG2 THR 15 13.653 0.397 -10.277 110 2HG2 THR 15 HG2 THR 15 13.241 -1.230 -10.918 111 3HG2 THR 15 HG2 THR 15 12.505 -0.648 -9.398 112 H SER 16 HN SER 16 14.956 -0.616 -11.997 113 HA SER 16 HA SER 16 16.335 2.007 -12.219 114 1HB SER 16 HB1 SER 16 16.201 0.194 -14.663 115 2HB SER 16 HB2 SER 16 17.310 1.534 -14.327 116 HG SER 16 HG SER 16 17.430 -1.092 -13.525 117 H ASP 17 HN ASP 17 14.053 -0.225 -13.715 118 HA ASP 17 HA ASP 17 12.404 2.056 -14.633 119 1HB ASP 17 HB1 ASP 17 11.511 0.365 -16.239 120 2HB ASP 17 HB2 ASP 17 13.261 0.439 -16.347 121 H CYS 18 HN CYS 18 12.012 2.106 -12.238 122 HA CYS 18 HA CYS 18 10.583 0.274 -10.714 123 1HB CYS 18 HB1 CYS 18 11.451 2.610 -10.171 124 2HB CYS 18 HB2 CYS 18 10.003 3.292 -10.858 125 H ASN 19 HN ASN 19 9.000 2.815 -12.626 126 HA ASN 19 HA ASN 19 6.415 1.789 -12.604 127 1HB ASN 19 HB1 ASN 19 7.543 3.960 -13.848 128 2HB ASN 19 HB2 ASN 19 7.300 2.921 -15.257 129 1HD2 ASN 19 HD2 ASN 19 5.152 3.078 -16.113 130 2HD2 ASN 19 HD2 ASN 19 3.815 3.524 -15.169 131 H GLY 20 HN GLY 20 9.132 0.761 -14.404 132 1HA GLY 20 HA1 GLY 20 7.776 -0.939 -16.302 133 2HA GLY 20 HA2 GLY 20 9.493 -1.025 -15.894 134 H GLU 21 HN GLU 21 9.818 -1.846 -13.590 135 HA GLU 21 HA GLU 21 9.035 -4.548 -13.415 136 1HB GLU 21 HB1 GLU 21 10.730 -2.866 -11.885 137 2HB GLU 21 HB2 GLU 21 9.513 -3.351 -10.733 138 1HG GLU 21 HG1 GLU 21 9.962 -5.813 -11.706 139 2HG GLU 21 HG2 GLU 21 11.382 -5.081 -12.378 140 H CYS 22 HN CYS 22 7.443 -1.678 -12.241 141 HA CYS 22 HA CYS 22 5.520 -3.116 -10.641 142 1HB CYS 22 HB1 CYS 22 5.855 -0.271 -11.555 143 2HB CYS 22 HB2 CYS 22 4.363 -0.767 -10.873 144 H LEU 23 HN LEU 23 5.624 -1.680 -13.929 145 HA LEU 23 HA LEU 23 2.917 -2.213 -14.572 146 1HB LEU 23 HB1 LEU 23 5.491 -1.666 -16.047 147 2HB LEU 23 HB2 LEU 23 4.126 -2.223 -16.939 148 HG LEU 23 HG LEU 23 4.037 0.254 -15.117 149 1HD1 LEU 23 HD1 LEU 23 5.672 0.514 -16.945 150 2HD1 LEU 23 HD1 LEU 23 4.418 0.037 -18.131 151 3HD1 LEU 23 HD1 LEU 23 4.243 1.556 -17.202 152 1HD2 LEU 23 HD2 LEU 23 2.206 -0.640 -17.352 153 2HD2 LEU 23 HD2 LEU 23 1.837 -0.708 -15.604 154 3HD2 LEU 23 HD2 LEU 23 2.067 0.871 -16.397 155 H LEU 24 HN LEU 24 5.849 -4.037 -14.503 156 HA LEU 24 HA LEU 24 5.100 -6.285 -16.082 157 1HB LEU 24 HB1 LEU 24 7.214 -5.374 -14.314 158 2HB LEU 24 HB2 LEU 24 6.826 -6.992 -13.873 159 HG LEU 24 HG LEU 24 7.441 -6.003 -16.686 160 1HD1 LEU 24 HD1 LEU 24 9.677 -7.002 -16.371 161 2HD1 LEU 24 HD1 LEU 24 9.381 -5.679 -15.214 162 3HD1 LEU 24 HD1 LEU 24 9.264 -7.386 -14.674 163 1HD2 LEU 24 HD2 LEU 24 7.454 -8.805 -15.473 164 2HD2 LEU 24 HD2 LEU 24 6.206 -8.151 -16.575 165 3HD2 LEU 24 HD2 LEU 24 7.871 -8.407 -17.167 166 H ARG 25 HN ARG 25 4.568 -5.389 -12.889 167 HA ARG 25 HA ARG 25 3.171 -7.880 -12.126 168 1HB ARG 25 HB1 ARG 25 4.035 -5.367 -10.660 169 2HB ARG 25 HB2 ARG 25 2.915 -6.466 -9.887 170 1HG ARG 25 HG1 ARG 25 4.531 -8.125 -9.540 171 2HG ARG 25 HG2 ARG 25 5.323 -7.813 -11.063 172 1HD ARG 25 HD1 ARG 25 5.716 -5.527 -9.250 173 2HD ARG 25 HD2 ARG 25 6.312 -6.994 -8.492 174 HE ARG 25 HE ARG 25 7.077 -6.299 -11.299 175 1HH1 ARG 25 HH1 ARG 25 10.130 -7.677 -10.141 176 2HH1 ARG 25 HH1 ARG 25 8.823 -8.242 -11.147 177 1HH2 ARG 25 HH2 ARG 25 9.844 -5.988 -8.734 178 2HH2 ARG 25 HH2 ARG 25 8.297 -5.199 -8.633 179 H GLY 26 HN GLY 26 2.313 -5.309 -13.832 180 1HA GLY 26 HA1 GLY 26 0.203 -4.617 -14.616 181 2HA GLY 26 HA2 GLY 26 -0.527 -5.856 -13.595 182 H TYR 27 HN TYR 27 1.666 -3.708 -12.070 183 HA TYR 27 HA TYR 27 -0.482 -2.670 -10.407 184 1HB TYR 27 HB1 TYR 27 2.503 -2.054 -10.539 185 2HB TYR 27 HB2 TYR 27 1.473 -1.270 -9.378 186 HD1 TYR 27 HD1 TYR 27 -0.232 -3.705 -8.549 187 HD2 TYR 27 HD2 TYR 27 3.948 -3.258 -9.165 188 HE1 TYR 27 HE1 TYR 27 0.174 -5.485 -6.992 189 HE2 TYR 27 HE2 TYR 27 4.380 -5.053 -7.587 190 HH TYR 27 HH TYR 27 3.340 -6.942 -6.675 191 H LYS 28 HN LYS 28 -0.594 -0.334 -9.939 192 HA LYS 28 HA LYS 28 -1.329 1.072 -12.308 193 1HB LYS 28 HB1 LYS 28 -0.791 2.262 -9.549 194 2HB LYS 28 HB2 LYS 28 -1.660 3.024 -10.849 195 1HG LYS 28 HG1 LYS 28 -3.484 2.232 -9.743 196 2HG LYS 28 HG2 LYS 28 -3.180 0.825 -10.743 197 1HD LYS 28 HD1 LYS 28 -2.775 -0.507 -9.005 198 2HD LYS 28 HD2 LYS 28 -1.612 0.623 -8.316 199 1HE LYS 28 HE1 LYS 28 -3.354 1.933 -7.265 200 2HE LYS 28 HE2 LYS 28 -4.630 1.049 -8.092 201 1HZ LYS 28 HZ1 LYS 28 -3.469 0.544 -5.661 202 2HZ LYS 28 HZ2 LYS 28 -4.657 -0.374 -6.427 203 3HZ LYS 28 HZ3 LYS 28 -3.019 -0.783 -6.635 204 H GLY 29 HN GLY 29 1.501 1.122 -10.255 205 1HA GLY 29 HA1 GLY 29 3.311 1.916 -12.228 206 2HA GLY 29 HA2 GLY 29 2.739 3.405 -11.473 207 H GLY 30 HN GLY 30 5.053 3.497 -10.969 208 1HA GLY 30 HA1 GLY 30 5.463 2.826 -8.186 209 2HA GLY 30 HA2 GLY 30 6.546 1.911 -9.248 210 H HIS 31 HN HIS 31 7.266 3.709 -7.276 211 HA HIS 31 HA HIS 31 9.042 5.469 -8.757 212 1HB HIS 31 HB1 HIS 31 8.312 7.625 -7.700 213 2HB HIS 31 HB2 HIS 31 6.985 6.956 -8.632 214 HD1 HIS 31 HD1 HIS 31 5.123 5.764 -7.230 215 HD2 HIS 31 HD2 HIS 31 7.784 7.809 -4.777 216 HE1 HIS 31 HE1 HIS 31 4.066 5.904 -5.008 217 HE2 HIS 31 HE2 HIS 31 5.726 7.153 -3.588 218 H CYS 32 HN CYS 32 10.570 6.564 -7.385 219 HA CYS 32 HA CYS 32 11.306 4.902 -5.132 220 1HB CYS 32 HB1 CYS 32 12.453 7.508 -6.182 221 2HB CYS 32 HB2 CYS 32 13.178 6.507 -4.939 222 H GLY 33 HN GLY 33 11.380 5.510 -3.019 223 1HA GLY 33 HA1 GLY 33 9.353 6.448 -1.615 224 2HA GLY 33 HA2 GLY 33 10.950 6.975 -1.150 225 H SER 34 HN SER 34 11.626 9.027 -1.610 226 HA SER 34 HA SER 34 10.283 10.916 -3.244 227 1HB SER 34 HB1 SER 34 8.403 10.640 -1.511 228 2HB SER 34 HB2 SER 34 9.522 11.199 -0.263 229 HG SER 34 HG SER 34 8.862 13.128 -0.962 230 H PHE 35 HN PHE 35 11.602 10.998 0.054 231 HA PHE 35 HA PHE 35 13.825 12.726 -0.955 232 1HB PHE 35 HB1 PHE 35 11.966 13.842 0.513 233 2HB PHE 35 HB2 PHE 35 12.620 12.904 1.841 234 HD1 PHE 35 HD1 PHE 35 13.563 15.398 -0.768 235 HD2 PHE 35 HD2 PHE 35 14.574 13.682 3.002 236 HE1 PHE 35 HE1 PHE 35 15.295 17.113 -0.446 237 HE2 PHE 35 HE2 PHE 35 16.299 15.394 3.316 238 HZ PHE 35 HZ PHE 35 16.666 17.114 1.595 239 H ALA 36 HN ALA 36 14.392 10.292 -1.129 240 HA ALA 36 HA ALA 36 16.448 9.825 0.739 241 1HB ALA 36 HB1 ALA 36 14.559 8.890 2.029 242 2HB ALA 36 HB2 ALA 36 14.120 7.853 0.638 243 3HB ALA 36 HB3 ALA 36 15.657 7.579 1.515 244 H ASN 37 HN ASN 37 14.458 8.536 -1.731 245 HA ASN 37 HA ASN 37 14.847 7.090 -3.545 246 1HB ASN 37 HB1 ASN 37 15.953 9.460 -3.975 247 2HB ASN 37 HB2 ASN 37 17.445 8.600 -3.662 248 1HD2 ASN 37 HD2 ASN 37 14.833 9.042 -5.985 249 2HD2 ASN 37 HD2 ASN 37 15.513 8.028 -7.171 250 H VAL 38 HN VAL 38 15.091 5.638 -1.643 251 HA VAL 38 HA VAL 38 17.671 4.167 -1.791 252 HB VAL 38 HB VAL 38 17.479 5.198 0.404 253 1HG1 VAL 38 HG1 VAL 38 15.626 4.784 1.934 254 2HG1 VAL 38 HG1 VAL 38 15.049 5.587 0.446 255 3HG1 VAL 38 HG1 VAL 38 14.776 3.833 0.686 256 1HG2 VAL 38 HG2 VAL 38 18.393 2.988 0.420 257 2HG2 VAL 38 HG2 VAL 38 17.444 3.267 1.909 258 3HG2 VAL 38 HG2 VAL 38 16.763 2.270 0.591 259 H ASN 39 HN ASN 39 14.166 3.910 -1.294 260 HA ASN 39 HA ASN 39 14.289 1.268 -2.612 261 1HB ASN 39 HB1 ASN 39 12.908 1.950 0.028 262 2HB ASN 39 HB2 ASN 39 12.231 0.738 -1.035 263 1HD2 ASN 39 HD2 ASN 39 12.907 -1.282 -0.089 264 2HD2 ASN 39 HD2 ASN 39 14.534 -1.613 0.294 265 H CYS 40 HN CYS 40 12.503 0.704 -3.821 266 HA CYS 40 HA CYS 40 10.819 3.052 -4.633 267 1HB CYS 40 HB1 CYS 40 12.509 1.419 -6.264 268 2HB CYS 40 HB2 CYS 40 10.911 0.818 -6.564 269 H TRP 41 HN TRP 41 8.695 2.760 -4.953 270 HA TRP 41 HA TRP 41 7.524 0.163 -4.108 271 1HB TRP 41 HB1 TRP 41 6.550 2.894 -3.116 272 2HB TRP 41 HB2 TRP 41 5.880 1.330 -2.710 273 HD1 TRP 41 HD1 TRP 41 9.344 3.144 -2.401 274 HE1 TRP 41 HE1 TRP 41 10.337 2.259 -0.271 275 HE3 TRP 41 HE3 TRP 41 5.804 -0.132 -1.056 276 HZ2 TRP 41 HZ2 TRP 41 9.755 0.376 1.855 277 HZ3 TRP 41 HZ3 TRP 41 5.976 -1.459 0.989 278 HH2 TRP 41 HH2 TRP 41 7.965 -1.219 2.469 279 H CYS 42 HN CYS 42 5.298 -0.136 -4.831 280 HA CYS 42 HA CYS 42 5.016 1.128 -7.454 281 1HB CYS 42 HB1 CYS 42 3.509 -1.106 -6.120 282 2HB CYS 42 HB2 CYS 42 3.054 -0.435 -7.676 283 H GLU 43 HN GLU 43 2.667 1.760 -7.991 284 HA GLU 43 HA GLU 43 1.775 3.638 -5.899 285 1HB GLU 43 HB1 GLU 43 1.410 3.672 -8.924 286 2HB GLU 43 HB2 GLU 43 0.894 4.932 -7.815 287 1HG GLU 43 HG1 GLU 43 3.424 4.758 -6.896 288 2HG GLU 43 HG2 GLU 43 3.730 4.043 -8.464 289 H THR 44 HN THR 44 1.115 1.438 -5.179 290 HA THR 44 HA THR 44 -1.530 0.725 -6.181 291 HB THR 44 HB THR 44 -1.139 -1.225 -4.436 292 HG1 THR 44 HG1 THR 44 0.359 0.563 -3.658 293 1HG2 THR 44 HG2 THR 44 0.603 -2.258 -5.790 294 2HG2 THR 44 HG2 THR 44 -0.358 -1.309 -6.943 295 3HG2 THR 44 HG2 THR 44 1.194 -0.651 -6.346 Start of MODEL 9 1 1H ASP 1 HT1 ASP 1 -0.814 -0.337 -0.748 2 2H ASP 1 HT2 ASP 1 -0.179 -1.799 -0.068 3 3H ASP 1 HT3 ASP 1 -0.035 -0.318 0.754 4 HA ASP 1 HA ASP 1 1.028 0.029 -1.798 5 1HB ASP 1 HB1 ASP 1 3.255 0.068 -0.444 6 2HB ASP 1 HB2 ASP 1 2.040 1.212 0.047 7 H LYS 2 HN LYS 2 2.740 -0.991 -2.799 8 HA LYS 2 HA LYS 2 3.243 -3.816 -2.156 9 1HB LYS 2 HB1 LYS 2 1.812 -2.662 -4.457 10 2HB LYS 2 HB2 LYS 2 3.222 -3.460 -4.947 11 1HG LYS 2 HG1 LYS 2 1.059 -4.883 -4.853 12 2HG LYS 2 HG2 LYS 2 2.447 -5.611 -4.070 13 1HD LYS 2 HD1 LYS 2 1.571 -4.877 -1.865 14 2HD LYS 2 HD2 LYS 2 0.238 -4.046 -2.651 15 1HE LYS 2 HE1 LYS 2 -0.609 -6.204 -3.496 16 2HE LYS 2 HE2 LYS 2 0.813 -7.035 -2.877 17 1HZ LYS 2 HZ1 LYS 2 -0.326 -5.533 -0.780 18 2HZ LYS 2 HZ2 LYS 2 -1.561 -6.428 -1.515 19 3HZ LYS 2 HZ3 LYS 2 -0.184 -7.215 -0.915 20 H LEU 3 HN LEU 3 5.254 -4.251 -2.153 21 HA LEU 3 HA LEU 3 7.168 -2.200 -2.993 22 1HB LEU 3 HB1 LEU 3 7.261 -3.592 -0.805 23 2HB LEU 3 HB2 LEU 3 7.704 -4.968 -1.769 24 HG LEU 3 HG LEU 3 9.568 -3.598 -0.534 25 1HD1 LEU 3 HD1 LEU 3 10.185 -5.335 -1.984 26 2HD1 LEU 3 HD1 LEU 3 10.030 -4.303 -3.418 27 3HD1 LEU 3 HD1 LEU 3 11.255 -3.905 -2.176 28 1HD2 LEU 3 HD2 LEU 3 10.497 -1.707 -1.650 29 2HD2 LEU 3 HD2 LEU 3 9.182 -1.730 -2.854 30 3HD2 LEU 3 HD2 LEU 3 8.800 -1.472 -1.130 31 H ILE 4 HN ILE 4 8.993 -2.835 -4.238 32 HA ILE 4 HA ILE 4 8.531 -4.978 -6.236 33 HB ILE 4 HB ILE 4 9.359 -3.316 -8.035 34 1HG1 ILE 4 HG1 ILE 4 8.733 -1.309 -5.826 35 2HG1 ILE 4 HG1 ILE 4 10.223 -1.509 -6.736 36 1HG2 ILE 4 HG2 ILE 4 6.682 -2.843 -6.712 37 2HG2 ILE 4 HG2 ILE 4 7.074 -2.517 -8.437 38 3HG2 ILE 4 HG2 ILE 4 7.093 -4.182 -7.824 39 1HD1 ILE 4 HD1 ILE 4 9.079 -0.906 -8.817 40 2HD1 ILE 4 HD2 ILE 4 7.548 -0.690 -7.876 41 3HD1 ILE 4 HD3 ILE 4 8.908 0.396 -7.606 42 H GLY 5 HN GLY 5 10.820 -2.670 -4.827 43 1HA GLY 5 HA1 GLY 5 12.845 -4.462 -4.367 44 2HA GLY 5 HA2 GLY 5 13.145 -3.929 -6.018 45 H SER 6 HN SER 6 15.115 -3.089 -5.120 46 HA SER 6 HA SER 6 14.889 -0.749 -3.355 47 1HB SER 6 HB1 SER 6 16.855 -2.213 -2.874 48 2HB SER 6 HB2 SER 6 17.378 -2.096 -4.549 49 HG SER 6 HG SER 6 17.230 0.085 -2.657 50 H CYS 7 HN CYS 7 16.339 1.094 -3.985 51 HA CYS 7 HA CYS 7 16.229 1.727 -6.885 52 1HB CYS 7 HB1 CYS 7 14.155 2.675 -5.847 53 2HB CYS 7 HB2 CYS 7 15.130 3.515 -4.658 54 H VAL 8 HN VAL 8 18.375 0.895 -5.356 55 HA VAL 8 HA VAL 8 19.995 3.412 -5.117 56 HB VAL 8 HB VAL 8 20.339 0.714 -3.731 57 1HG1 VAL 8 HG1 VAL 8 22.065 3.204 -3.523 58 2HG1 VAL 8 HG1 VAL 8 22.233 1.710 -2.550 59 3HG1 VAL 8 HG1 VAL 8 22.545 1.665 -4.303 60 1HG2 VAL 8 HG2 VAL 8 19.802 3.499 -2.674 61 2HG2 VAL 8 HG2 VAL 8 18.639 2.139 -2.789 62 3HG2 VAL 8 HG2 VAL 8 20.061 2.000 -1.722 63 H TRP 9 HN TRP 9 21.485 3.677 -6.597 64 HA TRP 9 HA TRP 9 22.065 1.595 -8.559 65 1HB TRP 9 HB1 TRP 9 22.231 4.476 -8.501 66 2HB TRP 9 HB2 TRP 9 23.878 3.922 -8.716 67 HD1 TRP 9 HD1 TRP 9 20.838 4.657 -10.725 68 HE1 TRP 9 HE1 TRP 9 21.147 3.590 -12.979 69 HE3 TRP 9 HE3 TRP 9 24.764 1.643 -9.790 70 HZ2 TRP 9 HZ2 TRP 9 22.801 1.657 -14.329 71 HZ3 TRP 9 HZ3 TRP 9 25.698 0.183 -11.545 72 HH2 TRP 9 HH2 TRP 9 24.723 0.189 -13.819 73 H GLY 10 HN GLY 10 22.684 0.323 -6.560 74 1HA GLY 10 HA1 GLY 10 25.166 -0.692 -6.588 75 2HA GLY 10 HA2 GLY 10 25.412 0.727 -5.574 76 H ALA 11 HN ALA 11 22.961 -1.834 -5.890 77 HA ALA 11 HA ALA 11 23.436 -2.822 -3.215 78 1HB ALA 11 HB1 ALA 11 22.043 -0.823 -2.764 79 2HB ALA 11 HB2 ALA 11 20.823 -1.444 -3.921 80 3HB ALA 11 HB3 ALA 11 21.136 -2.320 -2.398 81 H VAL 12 HN VAL 12 21.469 -4.333 -2.726 82 HA VAL 12 HA VAL 12 21.345 -6.220 -4.961 83 HB VAL 12 HB VAL 12 19.780 -6.800 -2.461 84 1HG1 VAL 12 HG1 VAL 12 20.894 -8.958 -2.595 85 2HG1 VAL 12 HG1 VAL 12 20.117 -8.501 -4.129 86 3HG1 VAL 12 HG1 VAL 12 21.897 -8.354 -3.948 87 1HG2 VAL 12 HG2 VAL 12 22.787 -6.565 -2.320 88 2HG2 VAL 12 HG2 VAL 12 21.584 -5.599 -1.400 89 3HG2 VAL 12 HG2 VAL 12 21.732 -7.344 -1.099 90 H ASN 13 HN ASN 13 19.245 -7.238 -5.402 91 HA ASN 13 HA ASN 13 17.212 -6.934 -6.549 92 1HB ASN 13 HB1 ASN 13 16.564 -5.766 -3.880 93 2HB ASN 13 HB2 ASN 13 15.407 -6.503 -4.954 94 1HD2 ASN 13 HD2 ASN 13 15.000 -8.755 -4.480 95 2HD2 ASN 13 HD2 ASN 13 16.102 -9.759 -3.655 96 H TYR 14 HN TYR 14 19.182 -4.839 -6.785 97 HA TYR 14 HA TYR 14 18.036 -2.234 -6.705 98 1HB TYR 14 HB1 TYR 14 20.384 -2.176 -6.869 99 2HB TYR 14 HB2 TYR 14 20.452 -3.520 -7.983 100 HD1 TYR 14 HD1 TYR 14 20.551 -3.171 -10.334 101 HD2 TYR 14 HD2 TYR 14 19.475 0.082 -7.826 102 HE1 TYR 14 HE1 TYR 14 20.675 -1.644 -12.251 103 HE2 TYR 14 HE2 TYR 14 19.622 1.602 -9.713 104 HH TYR 14 HH TYR 14 20.729 1.683 -11.867 105 H THR 15 HN THR 15 16.760 -1.185 -8.103 106 HA THR 15 HA THR 15 15.944 -2.578 -10.586 107 HB THR 15 HB THR 15 14.548 -0.928 -8.475 108 HG1 THR 15 HG1 THR 15 13.616 -3.296 -9.776 109 1HG2 THR 15 HG2 THR 15 13.679 0.161 -10.488 110 2HG2 THR 15 HG2 THR 15 13.172 -1.444 -11.115 111 3HG2 THR 15 HG2 THR 15 12.486 -0.825 -9.591 112 H SER 16 HN SER 16 14.960 -0.885 -12.116 113 HA SER 16 HA SER 16 16.598 1.585 -12.233 114 1HB SER 16 HB1 SER 16 16.471 -0.420 -14.558 115 2HB SER 16 HB2 SER 16 17.474 1.044 -14.473 116 HG SER 16 HG SER 16 18.706 0.102 -12.824 117 H ASP 17 HN ASP 17 14.168 -0.349 -13.919 118 HA ASP 17 HA ASP 17 12.724 2.128 -14.690 119 1HB ASP 17 HB1 ASP 17 11.594 0.586 -16.320 120 2HB ASP 17 HB2 ASP 17 13.332 0.586 -16.543 121 H CYS 18 HN CYS 18 12.259 2.137 -12.292 122 HA CYS 18 HA CYS 18 10.719 0.365 -10.838 123 1HB CYS 18 HB1 CYS 18 11.629 2.535 -10.205 124 2HB CYS 18 HB2 CYS 18 10.326 3.410 -10.979 125 H ASN 19 HN ASN 19 9.116 2.999 -12.624 126 HA ASN 19 HA ASN 19 6.546 2.110 -12.728 127 1HB ASN 19 HB1 ASN 19 7.555 4.116 -13.985 128 2HB ASN 19 HB2 ASN 19 7.927 3.001 -15.284 129 1HD2 ASN 19 HD2 ASN 19 5.875 1.478 -15.838 130 2HD2 ASN 19 HD2 ASN 19 4.436 2.364 -15.987 131 H GLY 20 HN GLY 20 9.212 0.892 -14.514 132 1HA GLY 20 HA1 GLY 20 7.804 -0.946 -16.245 133 2HA GLY 20 HA2 GLY 20 9.524 -0.996 -15.885 134 H GLU 21 HN GLU 21 9.762 -1.493 -13.439 135 HA GLU 21 HA GLU 21 9.262 -4.218 -12.958 136 1HB GLU 21 HB1 GLU 21 10.930 -2.504 -11.973 137 2HB GLU 21 HB2 GLU 21 9.652 -1.977 -10.931 138 1HG GLU 21 HG1 GLU 21 10.929 -3.336 -9.559 139 2HG GLU 21 HG2 GLU 21 9.587 -4.351 -9.999 140 H CYS 22 HN CYS 22 7.456 -1.401 -12.120 141 HA CYS 22 HA CYS 22 5.518 -2.768 -10.451 142 1HB CYS 22 HB1 CYS 22 5.782 -0.008 -11.587 143 2HB CYS 22 HB2 CYS 22 4.221 -0.516 -11.085 144 H LEU 23 HN LEU 23 5.579 -1.549 -13.827 145 HA LEU 23 HA LEU 23 2.973 -2.372 -14.482 146 1HB LEU 23 HB1 LEU 23 5.537 -1.797 -15.961 147 2HB LEU 23 HB2 LEU 23 4.213 -2.490 -16.814 148 HG LEU 23 HG LEU 23 4.094 0.153 -15.297 149 1HD1 LEU 23 HD1 LEU 23 4.106 1.152 -17.578 150 2HD1 LEU 23 HD1 LEU 23 5.580 0.178 -17.291 151 3HD1 LEU 23 HD1 LEU 23 4.246 -0.490 -18.273 152 1HD2 LEU 23 HD2 LEU 23 2.004 0.524 -16.547 153 2HD2 LEU 23 HD2 LEU 23 2.158 -1.113 -17.257 154 3HD2 LEU 23 HD2 LEU 23 1.881 -0.914 -15.502 155 H LEU 24 HN LEU 24 6.071 -3.988 -14.258 156 HA LEU 24 HA LEU 24 5.403 -6.318 -15.740 157 1HB LEU 24 HB1 LEU 24 7.548 -5.270 -14.042 158 2HB LEU 24 HB2 LEU 24 7.223 -6.916 -13.638 159 HG LEU 24 HG LEU 24 7.762 -5.836 -16.439 160 1HD1 LEU 24 HD1 LEU 24 9.587 -7.353 -14.531 161 2HD1 LEU 24 HD1 LEU 24 9.975 -6.889 -16.215 162 3HD1 LEU 24 HD1 LEU 24 9.721 -5.625 -14.982 163 1HD2 LEU 24 HD2 LEU 24 7.707 -8.698 -15.391 164 2HD2 LEU 24 HD2 LEU 24 6.483 -7.947 -16.459 165 3HD2 LEU 24 HD2 LEU 24 8.150 -8.191 -17.050 166 H ARG 25 HN ARG 25 4.814 -5.288 -12.642 167 HA ARG 25 HA ARG 25 3.579 -7.845 -11.733 168 1HB ARG 25 HB1 ARG 25 4.562 -5.334 -10.335 169 2HB ARG 25 HB2 ARG 25 3.378 -6.335 -9.516 170 1HG ARG 25 HG1 ARG 25 4.856 -8.192 -9.322 171 2HG ARG 25 HG2 ARG 25 5.839 -7.684 -10.674 172 1HD ARG 25 HD1 ARG 25 5.770 -6.001 -8.155 173 2HD ARG 25 HD2 ARG 25 6.903 -7.326 -8.195 174 HE ARG 25 HE ARG 25 7.006 -4.936 -9.900 175 1HH1 ARG 25 HH1 ARG 25 9.377 -6.696 -11.775 176 2HH1 ARG 25 HH1 ARG 25 7.723 -6.149 -11.899 177 1HH2 ARG 25 HH2 ARG 25 10.255 -6.892 -9.631 178 2HH2 ARG 25 HH2 ARG 25 9.241 -6.562 -8.257 179 H GLY 26 HN GLY 26 2.585 -5.404 -13.518 180 1HA GLY 26 HA1 GLY 26 0.455 -4.659 -14.147 181 2HA GLY 26 HA2 GLY 26 -0.216 -5.898 -13.084 182 H TYR 27 HN TYR 27 2.021 -3.774 -11.654 183 HA TYR 27 HA TYR 27 -0.086 -2.628 -9.985 184 1HB TYR 27 HB1 TYR 27 2.977 -2.588 -9.976 185 2HB TYR 27 HB2 TYR 27 2.053 -1.688 -8.805 186 HD1 TYR 27 HD1 TYR 27 3.765 -3.538 -7.591 187 HD2 TYR 27 HD2 TYR 27 -0.033 -4.484 -9.303 188 HE1 TYR 27 HE1 TYR 27 3.594 -5.496 -6.170 189 HE2 TYR 27 HE2 TYR 27 -0.185 -6.414 -7.887 190 HH TYR 27 HH TYR 27 2.008 -7.946 -6.501 191 H LYS 28 HN LYS 28 0.289 -0.271 -9.376 192 HA LYS 28 HA LYS 28 -0.092 1.202 -11.877 193 1HB LYS 28 HB1 LYS 28 -0.298 2.191 -8.998 194 2HB LYS 28 HB2 LYS 28 -0.848 3.046 -10.407 195 1HG LYS 28 HG1 LYS 28 -2.879 2.129 -9.929 196 2HG LYS 28 HG2 LYS 28 -2.263 0.733 -10.773 197 1HD LYS 28 HD1 LYS 28 -2.425 -0.565 -8.922 198 2HD LYS 28 HD2 LYS 28 -1.376 0.525 -8.026 199 1HE LYS 28 HE1 LYS 28 -3.296 1.999 -7.495 200 2HE LYS 28 HE2 LYS 28 -4.379 1.002 -8.446 201 1HZ LYS 28 HZ1 LYS 28 -4.751 -0.243 -6.650 202 2HZ LYS 28 HZ2 LYS 28 -3.107 -0.601 -6.379 203 3HZ LYS 28 HZ3 LYS 28 -3.755 0.796 -5.755 204 H GLY 29 HN GLY 29 0.983 3.054 -12.384 205 1HA GLY 29 HA1 GLY 29 3.630 3.193 -12.645 206 2HA GLY 29 HA2 GLY 29 2.719 4.667 -12.326 207 H GLY 30 HN GLY 30 5.061 2.506 -11.111 208 1HA GLY 30 HA1 GLY 30 4.809 3.438 -8.339 209 2HA GLY 30 HA2 GLY 30 5.995 2.282 -8.946 210 H HIS 31 HN HIS 31 7.120 3.828 -7.431 211 HA HIS 31 HA HIS 31 8.879 5.502 -9.028 212 1HB HIS 31 HB1 HIS 31 8.388 7.654 -7.763 213 2HB HIS 31 HB2 HIS 31 6.973 7.113 -8.655 214 HD1 HIS 31 HD1 HIS 31 4.904 6.618 -7.154 215 HD2 HIS 31 HD2 HIS 31 8.332 6.838 -4.851 216 HE1 HIS 31 HE1 HIS 31 4.171 6.426 -4.832 217 HE2 HIS 31 HE2 HIS 31 6.258 6.579 -3.464 218 H CYS 32 HN CYS 32 10.430 6.728 -7.491 219 HA CYS 32 HA CYS 32 11.257 4.776 -5.438 220 1HB CYS 32 HB1 CYS 32 12.701 7.127 -6.699 221 2HB CYS 32 HB2 CYS 32 13.334 6.075 -5.449 222 H GLY 33 HN GLY 33 11.685 5.400 -3.346 223 1HA GLY 33 HA1 GLY 33 9.857 6.937 -2.017 224 2HA GLY 33 HA2 GLY 33 11.454 6.613 -1.365 225 H SER 34 HN SER 34 9.751 9.037 -1.163 226 HA SER 34 HA SER 34 11.258 11.031 -2.707 227 1HB SER 34 HB1 SER 34 9.459 12.520 -1.505 228 2HB SER 34 HB2 SER 34 8.834 11.323 -2.658 229 HG SER 34 HG SER 34 8.025 11.355 -0.323 230 H PHE 35 HN PHE 35 10.161 10.842 0.592 231 HA PHE 35 HA PHE 35 12.685 12.184 1.485 232 1HB PHE 35 HB1 PHE 35 10.343 13.019 2.231 233 2HB PHE 35 HB2 PHE 35 10.196 11.531 3.151 234 HD1 PHE 35 HD1 PHE 35 12.768 14.233 2.662 235 HD2 PHE 35 HD2 PHE 35 10.728 11.718 5.437 236 HE1 PHE 35 HE1 PHE 35 13.988 15.276 4.511 237 HE2 PHE 35 HE2 PHE 35 11.951 12.768 7.279 238 HZ PHE 35 HZ PHE 35 13.584 14.547 6.825 239 H ALA 36 HN ALA 36 12.232 9.282 0.732 240 HA ALA 36 HA ALA 36 14.084 8.245 2.566 241 1HB ALA 36 HB1 ALA 36 11.247 7.125 2.562 242 2HB ALA 36 HB2 ALA 36 12.630 6.392 3.418 243 3HB ALA 36 HB3 ALA 36 12.015 7.992 3.931 244 H ASN 37 HN ASN 37 14.461 8.517 0.061 245 HA ASN 37 HA ASN 37 13.568 6.545 -1.750 246 1HB ASN 37 HB1 ASN 37 14.795 8.856 -2.174 247 2HB ASN 37 HB2 ASN 37 16.279 7.984 -1.838 248 1HD2 ASN 37 HD2 ASN 37 13.705 8.459 -4.132 249 2HD2 ASN 37 HD2 ASN 37 14.455 7.591 -5.400 250 H VAL 38 HN VAL 38 16.091 5.609 -2.621 251 HA VAL 38 HA VAL 38 17.765 4.030 -2.239 252 HB VAL 38 HB VAL 38 17.459 4.872 0.365 253 1HG1 VAL 38 HG1 VAL 38 15.623 3.144 0.859 254 2HG1 VAL 38 HG1 VAL 38 16.860 1.905 0.468 255 3HG1 VAL 38 HG1 VAL 38 17.077 2.984 1.875 256 1HG2 VAL 38 HG2 VAL 38 19.529 4.170 -0.494 257 2HG2 VAL 38 HG2 VAL 38 19.208 3.571 1.156 258 3HG2 VAL 38 HG2 VAL 38 19.025 2.458 -0.211 259 H ASN 39 HN ASN 39 14.403 3.792 -1.895 260 HA ASN 39 HA ASN 39 14.450 1.121 -3.041 261 1HB ASN 39 HB1 ASN 39 13.052 1.696 -0.352 262 2HB ASN 39 HB2 ASN 39 12.357 0.650 -1.527 263 1HD2 ASN 39 HD2 ASN 39 15.259 1.011 0.474 264 2HD2 ASN 39 HD2 ASN 39 15.756 -0.603 0.285 265 H CYS 40 HN CYS 40 12.532 0.532 -4.098 266 HA CYS 40 HA CYS 40 10.954 2.943 -4.878 267 1HB CYS 40 HB1 CYS 40 12.350 0.987 -6.468 268 2HB CYS 40 HB2 CYS 40 10.669 0.660 -6.700 269 H TRP 41 HN TRP 41 8.735 2.565 -5.329 270 HA TRP 41 HA TRP 41 7.475 0.214 -4.056 271 1HB TRP 41 HB1 TRP 41 6.871 3.063 -3.105 272 2HB TRP 41 HB2 TRP 41 5.919 1.642 -2.741 273 HD1 TRP 41 HD1 TRP 41 9.612 2.904 -2.189 274 HE1 TRP 41 HE1 TRP 41 10.405 1.708 -0.141 275 HE3 TRP 41 HE3 TRP 41 5.613 0.044 -1.342 276 HZ2 TRP 41 HZ2 TRP 41 9.428 -0.324 1.779 277 HZ3 TRP 41 HZ3 TRP 41 5.499 -1.512 0.549 278 HH2 TRP 41 HH2 TRP 41 7.404 -1.708 2.115 279 H CYS 42 HN CYS 42 5.226 -0.027 -4.666 280 HA CYS 42 HA CYS 42 4.723 1.373 -7.211 281 1HB CYS 42 HB1 CYS 42 3.518 -1.083 -5.943 282 2HB CYS 42 HB2 CYS 42 2.772 -0.305 -7.324 283 H GLU 43 HN GLU 43 2.497 2.044 -7.591 284 HA GLU 43 HA GLU 43 1.518 3.491 -5.211 285 1HB GLU 43 HB1 GLU 43 1.511 4.087 -8.192 286 2HB GLU 43 HB2 GLU 43 0.338 4.867 -7.144 287 1HG GLU 43 HG1 GLU 43 2.220 5.585 -5.613 288 2HG GLU 43 HG2 GLU 43 3.373 4.858 -6.734 289 H THR 44 HN THR 44 0.880 1.209 -4.839 290 HA THR 44 HA THR 44 -1.793 0.852 -6.011 291 HB THR 44 HB THR 44 -0.358 -1.224 -6.064 292 HG1 THR 44 HG1 THR 44 -2.557 -1.069 -4.324 293 1HG2 THR 44 HG2 THR 44 -0.112 -2.527 -4.071 294 2HG2 THR 44 HG2 THR 44 0.692 -0.948 -3.766 295 3HG2 THR 44 HG2 THR 44 -0.912 -1.305 -3.056 Start of MODEL 10 1 1H ASP 1 HT1 ASP 1 0.072 0.406 -0.600 2 2H ASP 1 HT2 ASP 1 0.747 -1.095 -0.091 3 3H ASP 1 HT3 ASP 1 1.126 0.351 0.709 4 HA ASP 1 HA ASP 1 1.779 0.674 -2.004 5 1HB ASP 1 HB1 ASP 1 3.759 0.196 0.242 6 2HB ASP 1 HB2 ASP 1 3.915 1.250 -1.140 7 H LYS 2 HN LYS 2 3.180 -0.618 -3.260 8 HA LYS 2 HA LYS 2 3.616 -3.427 -2.421 9 1HB LYS 2 HB1 LYS 2 2.046 -2.327 -4.669 10 2HB LYS 2 HB2 LYS 2 3.387 -3.224 -5.249 11 1HG LYS 2 HG1 LYS 2 1.270 -4.614 -4.916 12 2HG LYS 2 HG2 LYS 2 2.630 -5.246 -4.009 13 1HD LYS 2 HD1 LYS 2 1.787 -4.140 -1.944 14 2HD LYS 2 HD2 LYS 2 0.519 -3.347 -2.863 15 1HE LYS 2 HE1 LYS 2 -0.545 -5.501 -3.308 16 2HE LYS 2 HE2 LYS 2 0.762 -6.342 -2.480 17 1HZ LYS 2 HZ1 LYS 2 -1.516 -5.127 -1.361 18 2HZ LYS 2 HZ2 LYS 2 -0.278 -5.962 -0.548 19 3HZ LYS 2 HZ3 LYS 2 -0.154 -4.287 -0.803 20 H LEU 3 HN LEU 3 5.672 -3.133 -1.836 21 HA LEU 3 HA LEU 3 7.610 -1.591 -3.215 22 1HB LEU 3 HB1 LEU 3 7.817 -2.610 -0.879 23 2HB LEU 3 HB2 LEU 3 8.147 -4.155 -1.639 24 HG LEU 3 HG LEU 3 9.847 -1.855 -2.632 25 1HD1 LEU 3 HD1 LEU 3 10.186 -2.960 0.159 26 2HD1 LEU 3 HD1 LEU 3 11.309 -1.868 -0.722 27 3HD1 LEU 3 HD1 LEU 3 9.677 -1.307 -0.304 28 1HD2 LEU 3 HD2 LEU 3 10.594 -4.584 -1.538 29 2HD2 LEU 3 HD2 LEU 3 10.238 -4.270 -3.259 30 3HD2 LEU 3 HD2 LEU 3 11.626 -3.459 -2.480 31 H ILE 4 HN ILE 4 9.405 -2.399 -4.426 32 HA ILE 4 HA ILE 4 8.835 -4.799 -6.088 33 HB ILE 4 HB ILE 4 9.773 -3.415 -8.058 34 1HG1 ILE 4 HG1 ILE 4 8.720 -1.046 -6.481 35 2HG1 ILE 4 HG1 ILE 4 10.441 -1.408 -6.610 36 1HG2 ILE 4 HG2 ILE 4 7.536 -4.273 -7.874 37 2HG2 ILE 4 HG2 ILE 4 7.046 -2.863 -6.887 38 3HG2 ILE 4 HG2 ILE 4 7.483 -2.657 -8.615 39 1HD1 ILE 4 HD1 ILE 4 9.751 0.161 -8.381 40 2HD1 ILE 4 HD2 ILE 4 10.246 -1.421 -9.058 41 3HD1 ILE 4 HD3 ILE 4 8.506 -0.984 -8.922 42 H GLY 5 HN GLY 5 11.217 -2.389 -5.060 43 1HA GLY 5 HA1 GLY 5 13.184 -4.287 -4.396 44 2HA GLY 5 HA2 GLY 5 13.482 -3.781 -6.063 45 H SER 6 HN SER 6 15.424 -2.746 -5.567 46 HA SER 6 HA SER 6 15.431 -0.575 -3.657 47 1HB SER 6 HB1 SER 6 17.766 -1.362 -5.405 48 2HB SER 6 HB2 SER 6 17.669 -0.930 -3.702 49 HG SER 6 HG SER 6 17.790 -3.295 -4.616 50 H CYS 7 HN CYS 7 16.824 1.289 -4.568 51 HA CYS 7 HA CYS 7 16.018 2.111 -7.331 52 1HB CYS 7 HB1 CYS 7 14.307 3.138 -5.883 53 2HB CYS 7 HB2 CYS 7 15.506 3.691 -4.745 54 H VAL 8 HN VAL 8 18.430 1.194 -6.907 55 HA VAL 8 HA VAL 8 20.162 3.605 -6.911 56 HB VAL 8 HB VAL 8 20.905 0.985 -5.545 57 1HG1 VAL 8 HG1 VAL 8 22.749 2.246 -4.559 58 2HG1 VAL 8 HG1 VAL 8 22.842 2.201 -6.340 59 3HG1 VAL 8 HG1 VAL 8 22.255 3.677 -5.514 60 1HG2 VAL 8 HG2 VAL 8 20.008 3.561 -4.260 61 2HG2 VAL 8 HG2 VAL 8 19.151 1.987 -4.252 62 3HG2 VAL 8 HG2 VAL 8 20.732 2.136 -3.442 63 H TRP 9 HN TRP 9 21.250 3.644 -8.748 64 HA TRP 9 HA TRP 9 21.328 1.343 -10.523 65 1HB TRP 9 HB1 TRP 9 21.042 3.580 -11.486 66 2HB TRP 9 HB2 TRP 9 22.482 4.161 -10.669 67 HD1 TRP 9 HD1 TRP 9 23.512 5.040 -12.897 68 HE1 TRP 9 HE1 TRP 9 24.643 3.807 -14.758 69 HE3 TRP 9 HE3 TRP 9 22.112 0.230 -11.930 70 HZ2 TRP 9 HZ2 TRP 9 24.996 1.207 -15.813 71 HZ3 TRP 9 HZ3 TRP 9 22.867 -1.590 -13.376 72 HH2 TRP 9 HH2 TRP 9 24.311 -1.119 -15.329 73 H GLY 10 HN GLY 10 22.390 0.202 -8.686 74 1HA GLY 10 HA1 GLY 10 24.880 -0.778 -9.166 75 2HA GLY 10 HA2 GLY 10 25.263 0.691 -8.275 76 H ALA 11 HN ALA 11 22.806 -1.867 -7.976 77 HA ALA 11 HA ALA 11 23.849 -2.804 -5.454 78 1HB ALA 11 HB1 ALA 11 21.825 -2.182 -4.134 79 2HB ALA 11 HB2 ALA 11 22.685 -0.739 -4.745 80 3HB ALA 11 HB3 ALA 11 21.201 -1.315 -5.566 81 H VAL 12 HN VAL 12 22.039 -4.264 -4.478 82 HA VAL 12 HA VAL 12 21.323 -6.170 -6.578 83 HB VAL 12 HB VAL 12 20.486 -6.484 -3.690 84 1HG1 VAL 12 HG1 VAL 12 19.890 -8.271 -5.189 85 2HG1 VAL 12 HG1 VAL 12 21.605 -8.431 -5.704 86 3HG1 VAL 12 HG1 VAL 12 21.114 -8.812 -4.025 87 1HG2 VAL 12 HG2 VAL 12 23.320 -6.869 -4.696 88 2HG2 VAL 12 HG2 VAL 12 22.790 -5.659 -3.488 89 3HG2 VAL 12 HG2 VAL 12 22.700 -7.393 -3.098 90 H ASN 13 HN ASN 13 19.089 -7.141 -6.391 91 HA ASN 13 HA ASN 13 16.839 -6.805 -6.992 92 1HB ASN 13 HB1 ASN 13 16.915 -5.185 -4.477 93 2HB ASN 13 HB2 ASN 13 15.500 -5.958 -5.140 94 1HD2 ASN 13 HD2 ASN 13 15.064 -8.038 -4.236 95 2HD2 ASN 13 HD2 ASN 13 16.230 -8.981 -3.433 96 H TYR 14 HN TYR 14 18.849 -4.926 -7.965 97 HA TYR 14 HA TYR 14 17.990 -2.252 -7.924 98 1HB TYR 14 HB1 TYR 14 20.203 -2.831 -8.805 99 2HB TYR 14 HB2 TYR 14 19.509 -3.896 -10.016 100 HD1 TYR 14 HD1 TYR 14 18.824 -0.312 -9.036 101 HD2 TYR 14 HD2 TYR 14 19.860 -3.033 -12.142 102 HE1 TYR 14 HE1 TYR 14 18.790 1.519 -10.657 103 HE2 TYR 14 HE2 TYR 14 19.835 -1.187 -13.757 104 HH TYR 14 HH TYR 14 18.600 1.170 -13.856 105 H THR 15 HN THR 15 16.474 -1.125 -8.959 106 HA THR 15 HA THR 15 14.465 -2.611 -10.488 107 HB THR 15 HB THR 15 14.574 0.119 -9.161 108 HG1 THR 15 HG1 THR 15 12.998 -2.196 -8.671 109 1HG2 THR 15 HG2 THR 15 12.164 -1.211 -10.460 110 2HG2 THR 15 HG2 THR 15 12.204 0.304 -9.506 111 3HG2 THR 15 HG2 THR 15 12.997 0.232 -11.109 112 H SER 16 HN SER 16 15.590 0.727 -10.867 113 HA SER 16 HA SER 16 16.652 1.746 -12.719 114 1HB SER 16 HB1 SER 16 17.340 -0.718 -13.619 115 2HB SER 16 HB2 SER 16 15.864 -0.583 -14.552 116 HG SER 16 HG SER 16 16.693 0.861 -15.749 117 H ASP 17 HN ASP 17 13.782 -0.186 -13.105 118 HA ASP 17 HA ASP 17 12.368 2.143 -14.278 119 1HB ASP 17 HB1 ASP 17 11.288 0.527 -15.883 120 2HB ASP 17 HB2 ASP 17 13.012 0.742 -16.102 121 H CYS 18 HN CYS 18 11.726 2.348 -12.070 122 HA CYS 18 HA CYS 18 10.282 0.521 -10.502 123 1HB CYS 18 HB1 CYS 18 11.114 3.048 -10.244 124 2HB CYS 18 HB2 CYS 18 9.480 3.462 -10.703 125 H ASN 19 HN ASN 19 8.939 2.860 -12.774 126 HA ASN 19 HA ASN 19 6.284 1.921 -12.861 127 1HB ASN 19 HB1 ASN 19 7.956 3.123 -15.145 128 2HB ASN 19 HB2 ASN 19 6.242 2.847 -15.234 129 1HD2 ASN 19 HD2 ASN 19 6.939 3.747 -12.096 130 2HD2 ASN 19 HD2 ASN 19 6.666 5.397 -12.194 131 H GLY 20 HN GLY 20 9.140 0.784 -14.403 132 1HA GLY 20 HA1 GLY 20 7.876 -1.028 -16.252 133 2HA GLY 20 HA2 GLY 20 9.562 -1.069 -15.793 134 H GLU 21 HN GLU 21 9.812 -1.825 -13.456 135 HA GLU 21 HA GLU 21 9.097 -4.509 -13.152 136 1HB GLU 21 HB1 GLU 21 10.820 -3.012 -11.821 137 2HB GLU 21 HB2 GLU 21 9.482 -2.537 -10.839 138 1HG GLU 21 HG1 GLU 21 9.132 -4.622 -9.876 139 2HG GLU 21 HG2 GLU 21 10.020 -5.489 -11.103 140 H CYS 22 HN CYS 22 7.400 -1.671 -12.094 141 HA CYS 22 HA CYS 22 5.353 -3.116 -10.683 142 1HB CYS 22 HB1 CYS 22 5.715 -0.272 -11.612 143 2HB CYS 22 HB2 CYS 22 4.239 -0.759 -10.896 144 H LEU 23 HN LEU 23 5.671 -1.652 -13.955 145 HA LEU 23 HA LEU 23 3.023 -2.212 -14.752 146 1HB LEU 23 HB1 LEU 23 5.674 -1.624 -16.067 147 2HB LEU 23 HB2 LEU 23 4.396 -2.208 -17.054 148 HG LEU 23 HG LEU 23 4.000 0.202 -15.173 149 1HD1 LEU 23 HD1 LEU 23 4.415 1.672 -17.073 150 2HD1 LEU 23 HD1 LEU 23 5.858 0.689 -16.730 151 3HD1 LEU 23 HD1 LEU 23 4.800 0.258 -18.110 152 1HD2 LEU 23 HD2 LEU 23 1.958 -0.844 -16.038 153 2HD2 LEU 23 HD2 LEU 23 2.201 0.796 -16.696 154 3HD2 LEU 23 HD2 LEU 23 2.571 -0.638 -17.705 155 H LEU 24 HN LEU 24 5.951 -4.055 -14.492 156 HA LEU 24 HA LEU 24 5.213 -6.282 -16.128 157 1HB LEU 24 HB1 LEU 24 7.299 -5.427 -14.277 158 2HB LEU 24 HB2 LEU 24 6.874 -7.056 -13.922 159 HG LEU 24 HG LEU 24 7.542 -5.968 -16.700 160 1HD1 LEU 24 HD1 LEU 24 9.339 -7.434 -14.733 161 2HD1 LEU 24 HD1 LEU 24 9.765 -6.984 -16.411 162 3HD1 LEU 24 HD1 LEU 24 9.456 -5.707 -15.205 163 1HD2 LEU 24 HD2 LEU 24 6.279 -8.087 -16.700 164 2HD2 LEU 24 HD2 LEU 24 7.945 -8.333 -17.288 165 3HD2 LEU 24 HD2 LEU 24 7.504 -8.818 -15.622 166 H ARG 25 HN ARG 25 4.608 -5.384 -12.911 167 HA ARG 25 HA ARG 25 3.058 -7.852 -12.328 168 1HB ARG 25 HB1 ARG 25 3.702 -5.483 -10.494 169 2HB ARG 25 HB2 ARG 25 2.622 -6.765 -10.021 170 1HG ARG 25 HG1 ARG 25 4.474 -7.622 -9.102 171 2HG ARG 25 HG2 ARG 25 4.748 -8.266 -10.709 172 1HD ARG 25 HD1 ARG 25 6.161 -6.459 -11.296 173 2HD ARG 25 HD2 ARG 25 5.776 -5.502 -9.881 174 HE ARG 25 HE ARG 25 6.714 -7.610 -8.669 175 1HH1 ARG 25 HH1 ARG 25 10.124 -6.901 -9.382 176 2HH1 ARG 25 HH1 ARG 25 8.951 -6.702 -8.188 177 1HH2 ARG 25 HH2 ARG 25 9.316 -7.612 -11.597 178 2HH2 ARG 25 HH2 ARG 25 7.609 -7.780 -11.776 179 H GLY 26 HN GLY 26 2.387 -5.243 -13.977 180 1HA GLY 26 HA1 GLY 26 0.345 -4.341 -14.732 181 2HA GLY 26 HA2 GLY 26 -0.471 -5.591 -13.792 182 H TYR 27 HN TYR 27 1.783 -3.612 -12.179 183 HA TYR 27 HA TYR 27 -0.313 -2.567 -10.449 184 1HB TYR 27 HB1 TYR 27 2.688 -2.184 -10.587 185 2HB TYR 27 HB2 TYR 27 1.740 -1.304 -9.427 186 HD1 TYR 27 HD1 TYR 27 4.014 -3.243 -8.961 187 HD2 TYR 27 HD2 TYR 27 -0.188 -3.845 -8.828 188 HE1 TYR 27 HE1 TYR 27 4.331 -5.034 -7.350 189 HE2 TYR 27 HE2 TYR 27 0.116 -5.633 -7.234 190 HH TYR 27 HH TYR 27 2.108 -7.283 -6.614 191 H LYS 28 HN LYS 28 -0.840 -0.470 -10.111 192 HA LYS 28 HA LYS 28 -1.399 1.150 -12.280 193 1HB LYS 28 HB1 LYS 28 -0.837 1.953 -9.374 194 2HB LYS 28 HB2 LYS 28 -1.530 3.045 -10.551 195 1HG LYS 28 HG1 LYS 28 -3.616 2.217 -10.166 196 2HG LYS 28 HG2 LYS 28 -3.114 0.657 -10.748 197 1HD LYS 28 HD1 LYS 28 -3.599 -0.158 -8.700 198 2HD LYS 28 HD2 LYS 28 -2.137 0.595 -8.143 199 1HE LYS 28 HE1 LYS 28 -4.899 1.950 -8.138 200 2HE LYS 28 HE2 LYS 28 -4.176 1.176 -6.741 201 1HZ LYS 28 HZ1 LYS 28 -2.272 2.955 -7.697 202 2HZ LYS 28 HZ2 LYS 28 -3.729 3.822 -7.629 203 3HZ LYS 28 HZ3 LYS 28 -3.110 2.994 -6.278 204 H GLY 29 HN GLY 29 1.451 1.191 -10.234 205 1HA GLY 29 HA1 GLY 29 3.279 1.894 -12.219 206 2HA GLY 29 HA2 GLY 29 2.730 3.419 -11.508 207 H GLY 30 HN GLY 30 5.071 3.511 -10.949 208 1HA GLY 30 HA1 GLY 30 5.414 2.844 -8.188 209 2HA GLY 30 HA2 GLY 30 6.518 1.915 -9.228 210 H HIS 31 HN HIS 31 7.240 3.706 -7.263 211 HA HIS 31 HA HIS 31 8.887 5.586 -8.801 212 1HB HIS 31 HB1 HIS 31 8.141 7.598 -7.492 213 2HB HIS 31 HB2 HIS 31 6.752 6.889 -8.327 214 HD1 HIS 31 HD1 HIS 31 5.302 5.277 -6.861 215 HD2 HIS 31 HD2 HIS 31 7.914 7.499 -4.534 216 HE1 HIS 31 HE1 HIS 31 4.499 5.042 -4.523 217 HE2 HIS 31 HE2 HIS 31 6.101 6.418 -3.177 218 H CYS 32 HN CYS 32 10.544 6.584 -7.495 219 HA CYS 32 HA CYS 32 11.453 4.772 -5.400 220 1HB CYS 32 HB1 CYS 32 12.570 7.407 -6.412 221 2HB CYS 32 HB2 CYS 32 13.362 6.363 -5.254 222 H GLY 33 HN GLY 33 11.725 5.308 -3.241 223 1HA GLY 33 HA1 GLY 33 9.804 6.323 -1.722 224 2HA GLY 33 HA2 GLY 33 11.437 6.658 -1.266 225 H SER 34 HN SER 34 12.249 8.448 -3.051 226 HA SER 34 HA SER 34 10.359 10.589 -3.527 227 1HB SER 34 HB1 SER 34 10.780 10.730 -0.964 228 2HB SER 34 HB2 SER 34 12.447 11.188 -1.351 229 HG SER 34 HG SER 34 10.214 12.687 -1.523 230 H PHE 35 HN PHE 35 13.800 9.983 -2.884 231 HA PHE 35 HA PHE 35 14.596 10.510 -5.580 232 1HB PHE 35 HB1 PHE 35 14.018 12.829 -4.448 233 2HB PHE 35 HB2 PHE 35 15.515 12.605 -3.576 234 HD1 PHE 35 HD1 PHE 35 17.708 12.282 -4.929 235 HD2 PHE 35 HD2 PHE 35 14.046 13.546 -6.708 236 HE1 PHE 35 HE1 PHE 35 18.940 13.107 -6.880 237 HE2 PHE 35 HE2 PHE 35 15.286 14.377 -8.661 238 HZ PHE 35 HZ PHE 35 17.736 14.157 -8.751 239 H ALA 36 HN ALA 36 15.427 8.515 -5.083 240 HA ALA 36 HA ALA 36 17.288 7.164 -4.917 241 1HB ALA 36 HB1 ALA 36 19.392 7.928 -3.998 242 2HB ALA 36 HB2 ALA 36 18.776 9.149 -5.155 243 3HB ALA 36 HB3 ALA 36 18.656 9.420 -3.382 244 H ASN 37 HN ASN 37 15.117 7.388 -3.144 245 HA ASN 37 HA ASN 37 15.784 7.215 -0.404 246 1HB ASN 37 HB1 ASN 37 13.416 7.332 -0.971 247 2HB ASN 37 HB2 ASN 37 13.511 5.871 -1.956 248 1HD2 ASN 37 HD2 ASN 37 14.102 6.837 1.526 249 2HD2 ASN 37 HD2 ASN 37 13.468 5.381 2.123 250 H VAL 38 HN VAL 38 16.388 5.158 -2.979 251 HA VAL 38 HA VAL 38 17.831 3.352 -3.108 252 HB VAL 38 HB VAL 38 18.427 4.129 -0.535 253 1HG1 VAL 38 HG1 VAL 38 17.485 1.261 -0.221 254 2HG1 VAL 38 HG1 VAL 38 18.375 2.227 1.000 255 3HG1 VAL 38 HG1 VAL 38 16.699 2.653 0.573 256 1HG2 VAL 38 HG2 VAL 38 19.996 3.348 -1.964 257 2HG2 VAL 38 HG2 VAL 38 20.136 2.423 -0.456 258 3HG2 VAL 38 HG2 VAL 38 19.369 1.652 -1.868 259 H ASN 39 HN ASN 39 14.704 3.539 -1.855 260 HA ASN 39 HA ASN 39 14.215 0.746 -2.684 261 1HB ASN 39 HB1 ASN 39 13.085 2.166 -0.241 262 2HB ASN 39 HB2 ASN 39 12.339 0.770 -0.974 263 1HD2 ASN 39 HD2 ASN 39 13.255 -1.329 -0.365 264 2HD2 ASN 39 HD2 ASN 39 14.681 -1.433 0.545 265 H CYS 40 HN CYS 40 12.554 0.453 -4.010 266 HA CYS 40 HA CYS 40 10.981 2.900 -4.719 267 1HB CYS 40 HB1 CYS 40 12.591 1.236 -6.376 268 2HB CYS 40 HB2 CYS 40 10.960 0.746 -6.723 269 H TRP 41 HN TRP 41 8.848 2.710 -4.930 270 HA TRP 41 HA TRP 41 7.573 0.151 -4.072 271 1HB TRP 41 HB1 TRP 41 6.703 2.933 -3.174 272 2HB TRP 41 HB2 TRP 41 6.000 1.408 -2.682 273 HD1 TRP 41 HD1 TRP 41 9.496 3.211 -2.474 274 HE1 TRP 41 HE1 TRP 41 10.481 2.418 -0.318 275 HE3 TRP 41 HE3 TRP 41 5.948 -0.008 -1.028 276 HZ2 TRP 41 HZ2 TRP 41 9.887 0.588 1.890 277 HZ3 TRP 41 HZ3 TRP 41 6.120 -1.280 1.066 278 HH2 TRP 41 HH2 TRP 41 8.096 -0.986 2.538 279 H CYS 42 HN CYS 42 5.369 -0.134 -4.791 280 HA CYS 42 HA CYS 42 5.057 1.161 -7.399 281 1HB CYS 42 HB1 CYS 42 3.569 -1.068 -6.060 282 2HB CYS 42 HB2 CYS 42 3.037 -0.370 -7.575 283 H GLU 43 HN GLU 43 2.788 1.896 -7.896 284 HA GLU 43 HA GLU 43 1.919 3.834 -5.872 285 1HB GLU 43 HB1 GLU 43 2.196 3.849 -8.805 286 2HB GLU 43 HB2 GLU 43 0.607 4.382 -8.360 287 1HG GLU 43 HG1 GLU 43 1.376 6.407 -7.755 288 2HG GLU 43 HG2 GLU 43 2.534 5.720 -6.630 289 H THR 44 HN THR 44 1.168 1.585 -5.093 290 HA THR 44 HA THR 44 -1.504 0.951 -6.190 291 HB THR 44 HB THR 44 -0.317 -1.064 -5.642 292 HG1 THR 44 HG1 THR 44 -2.162 -0.153 -3.769 293 1HG2 THR 44 HG2 THR 44 0.069 0.068 -2.860 294 2HG2 THR 44 HG2 THR 44 0.634 -1.504 -3.466 295 3HG2 THR 44 HG2 THR 44 1.384 -0.002 -4.086 Start of MODEL 11 1 1H ASP 1 HT1 ASP 1 0.300 0.907 0.051 2 2H ASP 1 HT2 ASP 1 1.335 -0.255 0.778 3 3H ASP 1 HT3 ASP 1 1.639 1.430 0.929 4 HA ASP 1 HA ASP 1 1.530 0.841 -1.792 5 1HB ASP 1 HB1 ASP 1 4.181 1.138 -0.365 6 2HB ASP 1 HB2 ASP 1 3.625 1.936 -1.823 7 H LYS 2 HN LYS 2 2.809 -0.517 -2.986 8 HA LYS 2 HA LYS 2 3.643 -3.044 -1.642 9 1HB LYS 2 HB1 LYS 2 1.744 -2.545 -3.640 10 2HB LYS 2 HB2 LYS 2 3.073 -3.289 -4.511 11 1HG LYS 2 HG1 LYS 2 1.563 -4.391 -2.096 12 2HG LYS 2 HG2 LYS 2 1.372 -4.918 -3.758 13 1HD LYS 2 HD1 LYS 2 3.776 -5.624 -3.797 14 2HD LYS 2 HD2 LYS 2 3.933 -5.190 -2.104 15 1HE LYS 2 HE1 LYS 2 1.975 -6.810 -1.635 16 2HE LYS 2 HE2 LYS 2 2.114 -7.336 -3.304 17 1HZ LYS 2 HZ1 LYS 2 3.628 -8.179 -1.097 18 2HZ LYS 2 HZ2 LYS 2 3.761 -8.685 -2.714 19 3HZ LYS 2 HZ3 LYS 2 4.675 -7.375 -2.174 20 H LEU 3 HN LEU 3 5.714 -3.229 -1.621 21 HA LEU 3 HA LEU 3 7.509 -1.685 -3.293 22 1HB LEU 3 HB1 LEU 3 7.935 -2.237 -0.901 23 2HB LEU 3 HB2 LEU 3 8.012 -3.934 -1.288 24 HG LEU 3 HG LEU 3 9.973 -2.051 -2.659 25 1HD1 LEU 3 HD1 LEU 3 10.022 -1.451 -0.291 26 2HD1 LEU 3 HD1 LEU 3 10.236 -3.171 0.157 27 3HD1 LEU 3 HD1 LEU 3 11.507 -2.296 -0.769 28 1HD2 LEU 3 HD2 LEU 3 10.259 -4.844 -1.485 29 2HD2 LEU 3 HD2 LEU 3 9.943 -4.518 -3.208 30 3HD2 LEU 3 HD2 LEU 3 11.465 -3.948 -2.466 31 H ILE 4 HN ILE 4 9.167 -2.671 -4.534 32 HA ILE 4 HA ILE 4 8.445 -5.309 -5.742 33 HB ILE 4 HB ILE 4 8.768 -4.415 -8.034 34 1HG1 ILE 4 HG1 ILE 4 9.451 -1.758 -6.767 35 2HG1 ILE 4 HG1 ILE 4 10.451 -2.733 -7.827 36 1HG2 ILE 4 HG2 ILE 4 6.565 -4.326 -7.003 37 2HG2 ILE 4 HG2 ILE 4 6.893 -2.649 -6.477 38 3HG2 ILE 4 HG2 ILE 4 6.810 -3.052 -8.223 39 1HD1 ILE 4 HD1 ILE 4 7.903 -1.264 -8.458 40 2HD1 ILE 4 HD2 ILE 4 9.521 -0.979 -9.153 41 3HD1 ILE 4 HD3 ILE 4 8.607 -2.460 -9.580 42 H GLY 5 HN GLY 5 10.917 -2.767 -5.415 43 1HA GLY 5 HA1 GLY 5 12.946 -4.649 -4.722 44 2HA GLY 5 HA2 GLY 5 13.156 -4.170 -6.401 45 H SER 6 HN SER 6 15.178 -3.238 -5.672 46 HA SER 6 HA SER 6 14.955 -0.837 -4.020 47 1HB SER 6 HB1 SER 6 17.145 -2.769 -4.808 48 2HB SER 6 HB2 SER 6 17.587 -1.116 -4.507 49 HG SER 6 HG SER 6 16.502 -1.257 -2.470 50 H CYS 7 HN CYS 7 15.916 1.097 -4.739 51 HA CYS 7 HA CYS 7 15.834 1.494 -7.711 52 1HB CYS 7 HB1 CYS 7 14.000 2.703 -6.723 53 2HB CYS 7 HB2 CYS 7 14.977 3.264 -5.389 54 H VAL 8 HN VAL 8 18.076 0.560 -6.930 55 HA VAL 8 HA VAL 8 19.946 2.864 -6.893 56 HB VAL 8 HB VAL 8 20.151 0.324 -5.213 57 1HG1 VAL 8 HG1 VAL 8 22.381 0.912 -6.107 58 2HG1 VAL 8 HG1 VAL 8 22.161 2.590 -5.512 59 3HG1 VAL 8 HG1 VAL 8 22.270 1.231 -4.356 60 1HG2 VAL 8 HG2 VAL 8 18.734 1.940 -4.273 61 2HG2 VAL 8 HG2 VAL 8 20.250 1.858 -3.329 62 3HG2 VAL 8 HG2 VAL 8 19.963 3.226 -4.454 63 H TRP 9 HN TRP 9 21.074 2.766 -8.700 64 HA TRP 9 HA TRP 9 21.336 0.329 -10.291 65 1HB TRP 9 HB1 TRP 9 21.292 2.708 -11.352 66 2HB TRP 9 HB2 TRP 9 22.910 2.946 -10.692 67 HD1 TRP 9 HD1 TRP 9 21.023 1.087 -13.482 68 HE1 TRP 9 HE1 TRP 9 22.757 -0.116 -14.838 69 HE3 TRP 9 HE3 TRP 9 25.103 1.862 -10.660 70 HZ2 TRP 9 HZ2 TRP 9 25.558 -0.736 -14.828 71 HZ3 TRP 9 HZ3 TRP 9 27.267 0.979 -11.290 72 HH2 TRP 9 HH2 TRP 9 27.536 -0.327 -13.394 73 H GLY 10 HN GLY 10 22.684 -1.188 -9.789 74 1HA GLY 10 HA1 GLY 10 25.121 -1.770 -9.676 75 2HA GLY 10 HA2 GLY 10 25.281 -0.504 -8.466 76 H ALA 11 HN ALA 11 22.627 -1.243 -7.335 77 HA ALA 11 HA ALA 11 23.648 -3.314 -5.518 78 1HB ALA 11 HB1 ALA 11 22.460 -1.316 -4.636 79 2HB ALA 11 HB2 ALA 11 21.016 -1.797 -5.581 80 3HB ALA 11 HB3 ALA 11 21.580 -2.820 -4.230 81 H VAL 12 HN VAL 12 21.950 -4.933 -4.804 82 HA VAL 12 HA VAL 12 21.218 -6.510 -7.149 83 HB VAL 12 HB VAL 12 20.481 -7.256 -4.313 84 1HG1 VAL 12 HG1 VAL 12 19.743 -8.809 -5.968 85 2HG1 VAL 12 HG1 VAL 12 21.410 -8.927 -6.635 86 3HG1 VAL 12 HG1 VAL 12 21.035 -9.526 -4.990 87 1HG2 VAL 12 HG2 VAL 12 22.829 -6.523 -4.125 88 2HG2 VAL 12 HG2 VAL 12 22.693 -8.291 -3.973 89 3HG2 VAL 12 HG2 VAL 12 23.249 -7.568 -5.517 90 H ASN 13 HN ASN 13 19.049 -7.569 -7.077 91 HA ASN 13 HA ASN 13 16.777 -7.210 -7.619 92 1HB ASN 13 HB1 ASN 13 16.826 -6.123 -4.834 93 2HB ASN 13 HB2 ASN 13 15.388 -6.583 -5.688 94 1HD2 ASN 13 HD2 ASN 13 14.720 -8.758 -5.475 95 2HD2 ASN 13 HD2 ASN 13 15.723 -9.968 -4.823 96 H TYR 14 HN TYR 14 18.662 -5.123 -8.253 97 HA TYR 14 HA TYR 14 17.648 -2.534 -7.698 98 1HB TYR 14 HB1 TYR 14 19.890 -2.762 -8.496 99 2HB TYR 14 HB2 TYR 14 19.400 -3.765 -9.847 100 HD1 TYR 14 HD1 TYR 14 20.007 -2.705 -11.746 101 HD2 TYR 14 HD2 TYR 14 18.146 -0.395 -8.707 102 HE1 TYR 14 HE1 TYR 14 19.978 -0.786 -13.229 103 HE2 TYR 14 HE2 TYR 14 18.120 1.554 -10.208 104 HH TYR 14 HH TYR 14 18.511 1.338 -13.434 105 H THR 15 HN THR 15 16.212 -1.232 -8.789 106 HA THR 15 HA THR 15 14.280 -2.635 -10.468 107 HB THR 15 HB THR 15 14.358 0.016 -8.998 108 HG1 THR 15 HG1 THR 15 12.420 -1.936 -8.713 109 1HG2 THR 15 HG2 THR 15 12.032 -1.154 -10.603 110 2HG2 THR 15 HG2 THR 15 12.055 0.307 -9.555 111 3HG2 THR 15 HG2 THR 15 12.978 0.279 -11.084 112 H SER 16 HN SER 16 15.587 0.652 -10.741 113 HA SER 16 HA SER 16 16.702 1.660 -12.544 114 1HB SER 16 HB1 SER 16 17.330 -0.836 -13.398 115 2HB SER 16 HB2 SER 16 15.928 -0.622 -14.449 116 HG SER 16 HG SER 16 16.907 0.847 -15.526 117 H ASP 17 HN ASP 17 13.749 -0.082 -13.023 118 HA ASP 17 HA ASP 17 12.519 2.344 -14.192 119 1HB ASP 17 HB1 ASP 17 11.454 0.886 -15.934 120 2HB ASP 17 HB2 ASP 17 13.209 0.854 -16.053 121 H CYS 18 HN CYS 18 11.916 2.283 -11.839 122 HA CYS 18 HA CYS 18 10.295 0.471 -10.506 123 1HB CYS 18 HB1 CYS 18 11.099 2.932 -9.946 124 2HB CYS 18 HB2 CYS 18 9.555 3.416 -10.593 125 H ASN 19 HN ASN 19 8.889 3.019 -12.492 126 HA ASN 19 HA ASN 19 6.297 2.158 -12.749 127 1HB ASN 19 HB1 ASN 19 7.388 4.180 -13.891 128 2HB ASN 19 HB2 ASN 19 7.927 3.085 -15.159 129 1HD2 ASN 19 HD2 ASN 19 6.401 2.637 -16.808 130 2HD2 ASN 19 HD2 ASN 19 4.762 3.082 -16.693 131 H GLY 20 HN GLY 20 9.051 1.059 -14.651 132 1HA GLY 20 HA1 GLY 20 7.699 -0.836 -16.286 133 2HA GLY 20 HA2 GLY 20 9.415 -0.860 -15.909 134 H GLU 21 HN GLU 21 9.844 -1.571 -13.658 135 HA GLU 21 HA GLU 21 9.271 -4.254 -13.209 136 1HB GLU 21 HB1 GLU 21 10.971 -2.764 -12.209 137 2HB GLU 21 HB2 GLU 21 9.784 -2.033 -11.207 138 1HG GLU 21 HG1 GLU 21 10.834 -3.564 -9.732 139 2HG GLU 21 HG2 GLU 21 9.337 -4.342 -10.169 140 H CYS 22 HN CYS 22 7.461 -1.508 -12.303 141 HA CYS 22 HA CYS 22 5.515 -2.892 -10.658 142 1HB CYS 22 HB1 CYS 22 5.773 -0.124 -11.800 143 2HB CYS 22 HB2 CYS 22 4.251 -0.618 -11.187 144 H LEU 23 HN LEU 23 5.634 -1.692 -14.031 145 HA LEU 23 HA LEU 23 3.013 -2.490 -14.716 146 1HB LEU 23 HB1 LEU 23 5.586 -1.884 -16.191 147 2HB LEU 23 HB2 LEU 23 4.238 -2.523 -17.039 148 HG LEU 23 HG LEU 23 4.101 0.016 -15.334 149 1HD1 LEU 23 HD1 LEU 23 4.240 1.237 -17.469 150 2HD1 LEU 23 HD1 LEU 23 5.712 0.275 -17.158 151 3HD1 LEU 23 HD1 LEU 23 4.496 -0.307 -18.337 152 1HD2 LEU 23 HD2 LEU 23 2.311 -1.049 -17.548 153 2HD2 LEU 23 HD2 LEU 23 1.918 -1.039 -15.803 154 3HD2 LEU 23 HD2 LEU 23 2.094 0.503 -16.680 155 H LEU 24 HN LEU 24 6.082 -4.067 -14.479 156 HA LEU 24 HA LEU 24 5.543 -6.443 -15.943 157 1HB LEU 24 HB1 LEU 24 7.557 -5.294 -14.178 158 2HB LEU 24 HB2 LEU 24 7.257 -6.915 -13.682 159 HG LEU 24 HG LEU 24 7.897 -6.003 -16.508 160 1HD1 LEU 24 HD1 LEU 24 9.777 -5.563 -14.981 161 2HD1 LEU 24 HD1 LEU 24 9.714 -7.254 -14.399 162 3HD1 LEU 24 HD1 LEU 24 10.162 -6.903 -16.095 163 1HD2 LEU 24 HD2 LEU 24 6.743 -8.186 -16.389 164 2HD2 LEU 24 HD2 LEU 24 8.438 -8.391 -16.912 165 3HD2 LEU 24 HD2 LEU 24 7.970 -8.774 -15.228 166 H ARG 25 HN ARG 25 4.814 -5.395 -12.853 167 HA ARG 25 HA ARG 25 3.498 -7.962 -12.096 168 1HB ARG 25 HB1 ARG 25 4.635 -5.605 -10.564 169 2HB ARG 25 HB2 ARG 25 3.451 -6.639 -9.775 170 1HG ARG 25 HG1 ARG 25 4.799 -8.621 -10.036 171 2HG ARG 25 HG2 ARG 25 5.804 -7.894 -11.269 172 1HD ARG 25 HD1 ARG 25 5.835 -6.794 -8.436 173 2HD ARG 25 HD2 ARG 25 6.817 -8.194 -8.876 174 HE ARG 25 HE ARG 25 7.017 -5.567 -10.372 175 1HH1 ARG 25 HH1 ARG 25 10.084 -7.200 -11.175 176 2HH1 ARG 25 HH1 ARG 25 8.505 -7.173 -11.840 177 1HH2 ARG 25 HH2 ARG 25 10.296 -6.653 -8.865 178 2HH2 ARG 25 HH2 ARG 25 8.856 -6.280 -7.974 179 H GLY 26 HN GLY 26 2.620 -5.432 -13.728 180 1HA GLY 26 HA1 GLY 26 0.505 -4.610 -14.359 181 2HA GLY 26 HA2 GLY 26 -0.206 -5.847 -13.325 182 H TYR 27 HN TYR 27 2.064 -3.906 -11.775 183 HA TYR 27 HA TYR 27 0.008 -2.754 -10.071 184 1HB TYR 27 HB1 TYR 27 3.033 -2.455 -10.144 185 2HB TYR 27 HB2 TYR 27 2.083 -1.519 -9.039 186 HD1 TYR 27 HD1 TYR 27 0.048 -3.719 -8.191 187 HD2 TYR 27 HD2 TYR 27 4.284 -3.710 -8.662 188 HE1 TYR 27 HE1 TYR 27 0.233 -5.480 -6.528 189 HE2 TYR 27 HE2 TYR 27 4.460 -5.500 -6.985 190 HH TYR 27 HH TYR 27 2.166 -7.432 -6.129 191 H LYS 28 HN LYS 28 0.399 -0.389 -9.437 192 HA LYS 28 HA LYS 28 -0.023 1.119 -11.920 193 1HB LYS 28 HB1 LYS 28 -0.218 2.030 -9.030 194 2HB LYS 28 HB2 LYS 28 -0.785 2.931 -10.407 195 1HG LYS 28 HG1 LYS 28 -2.807 1.917 -10.108 196 2HG LYS 28 HG2 LYS 28 -2.087 0.495 -10.810 197 1HD LYS 28 HD1 LYS 28 -2.580 -0.610 -8.866 198 2HD LYS 28 HD2 LYS 28 -1.285 0.303 -8.118 199 1HE LYS 28 HE1 LYS 28 -2.900 2.141 -7.536 200 2HE LYS 28 HE2 LYS 28 -4.189 1.226 -8.281 201 1HZ LYS 28 HZ1 LYS 28 -4.469 0.166 -6.354 202 2HZ LYS 28 HZ2 LYS 28 -2.893 -0.452 -6.400 203 3HZ LYS 28 HZ3 LYS 28 -3.205 1.045 -5.692 204 H GLY 29 HN GLY 29 1.061 2.927 -12.445 205 1HA GLY 29 HA1 GLY 29 3.714 3.019 -12.673 206 2HA GLY 29 HA2 GLY 29 2.810 4.517 -12.474 207 H GLY 30 HN GLY 30 4.905 2.215 -10.991 208 1HA GLY 30 HA1 GLY 30 4.744 3.291 -8.308 209 2HA GLY 30 HA2 GLY 30 5.977 2.177 -8.923 210 H HIS 31 HN HIS 31 7.194 3.612 -7.482 211 HA HIS 31 HA HIS 31 8.785 5.428 -9.088 212 1HB HIS 31 HB1 HIS 31 8.457 7.422 -7.498 213 2HB HIS 31 HB2 HIS 31 7.036 7.060 -8.460 214 HD1 HIS 31 HD1 HIS 31 4.992 6.287 -7.175 215 HD2 HIS 31 HD2 HIS 31 8.243 6.533 -4.597 216 HE1 HIS 31 HE1 HIS 31 4.092 6.004 -4.908 217 HE2 HIS 31 HE2 HIS 31 6.063 6.155 -3.401 218 H CYS 32 HN CYS 32 10.494 6.505 -7.672 219 HA CYS 32 HA CYS 32 11.627 4.391 -6.011 220 1HB CYS 32 HB1 CYS 32 12.601 7.132 -6.852 221 2HB CYS 32 HB2 CYS 32 13.502 6.067 -5.802 222 H GLY 33 HN GLY 33 12.124 4.615 -3.827 223 1HA GLY 33 HA1 GLY 33 10.335 5.337 -2.031 224 2HA GLY 33 HA2 GLY 33 11.992 5.607 -1.665 225 H SER 34 HN SER 34 12.836 7.727 -2.016 226 HA SER 34 HA SER 34 10.987 9.905 -2.668 227 1HB SER 34 HB1 SER 34 10.502 9.416 -0.228 228 2HB SER 34 HB2 SER 34 12.198 9.717 0.163 229 HG SER 34 HG SER 34 11.682 11.774 0.166 230 H PHE 35 HN PHE 35 14.120 9.196 -1.117 231 HA PHE 35 HA PHE 35 15.667 10.391 -3.165 232 1HB PHE 35 HB1 PHE 35 14.530 12.359 -1.881 233 2HB PHE 35 HB2 PHE 35 15.618 11.979 -0.570 234 HD1 PHE 35 HD1 PHE 35 15.530 12.992 -4.143 235 HD2 PHE 35 HD2 PHE 35 17.963 12.569 -0.671 236 HE1 PHE 35 HE1 PHE 35 17.341 14.220 -5.261 237 HE2 PHE 35 HE2 PHE 35 19.769 13.793 -1.790 238 HZ PHE 35 HZ PHE 35 19.465 14.624 -4.086 239 H ALA 36 HN ALA 36 16.607 8.436 -2.870 240 HA ALA 36 HA ALA 36 18.540 7.251 -2.326 241 1HB ALA 36 HB1 ALA 36 19.574 9.290 -1.349 242 2HB ALA 36 HB2 ALA 36 18.750 8.938 0.207 243 3HB ALA 36 HB3 ALA 36 19.936 7.789 -0.437 244 H ASN 37 HN ASN 37 15.810 6.849 -1.582 245 HA ASN 37 HA ASN 37 15.762 5.586 0.999 246 1HB ASN 37 HB1 ASN 37 13.791 6.716 -0.225 247 2HB ASN 37 HB2 ASN 37 13.817 5.281 -1.269 248 1HD2 ASN 37 HD2 ASN 37 12.755 6.512 1.828 249 2HD2 ASN 37 HD2 ASN 37 12.112 5.040 2.368 250 H VAL 38 HN VAL 38 16.816 4.814 -2.033 251 HA VAL 38 HA VAL 38 17.349 2.874 -3.171 252 HB VAL 38 HB VAL 38 18.753 1.378 -1.890 253 1HG1 VAL 38 HG1 VAL 38 19.655 3.679 -2.295 254 2HG1 VAL 38 HG1 VAL 38 18.993 4.178 -0.718 255 3HG1 VAL 38 HG1 VAL 38 20.317 2.976 -0.786 256 1HG2 VAL 38 HG2 VAL 38 17.787 2.609 0.689 257 2HG2 VAL 38 HG2 VAL 38 17.417 0.960 0.088 258 3HG2 VAL 38 HG2 VAL 38 19.094 1.410 0.497 259 H ASN 39 HN ASN 39 14.645 3.047 -2.379 260 HA ASN 39 HA ASN 39 13.873 0.229 -2.573 261 1HB ASN 39 HB1 ASN 39 12.511 2.068 -0.596 262 2HB ASN 39 HB2 ASN 39 12.103 0.486 -1.103 263 1HD2 ASN 39 HD2 ASN 39 14.018 2.212 1.117 264 2HD2 ASN 39 HD2 ASN 39 14.737 0.854 1.867 265 H CYS 40 HN CYS 40 12.621 0.206 -4.370 266 HA CYS 40 HA CYS 40 11.052 2.628 -5.062 267 1HB CYS 40 HB1 CYS 40 12.074 1.965 -7.040 268 2HB CYS 40 HB2 CYS 40 12.187 0.303 -6.571 269 H TRP 41 HN TRP 41 8.963 2.633 -4.925 270 HA TRP 41 HA TRP 41 7.554 0.126 -4.118 271 1HB TRP 41 HB1 TRP 41 7.034 2.963 -3.150 272 2HB TRP 41 HB2 TRP 41 5.959 1.613 -2.901 273 HD1 TRP 41 HD1 TRP 41 9.666 2.639 -1.972 274 HE1 TRP 41 HE1 TRP 41 10.098 1.431 0.180 275 HE3 TRP 41 HE3 TRP 41 5.443 -0.025 -1.579 276 HZ2 TRP 41 HZ2 TRP 41 8.845 -0.497 1.970 277 HZ3 TRP 41 HZ3 TRP 41 5.047 -1.547 0.319 278 HH2 TRP 41 HH2 TRP 41 6.745 -1.785 2.098 279 H CYS 42 HN CYS 42 5.346 -0.042 -4.831 280 HA CYS 42 HA CYS 42 5.041 1.271 -7.427 281 1HB CYS 42 HB1 CYS 42 3.662 -1.051 -6.153 282 2HB CYS 42 HB2 CYS 42 3.001 -0.273 -7.578 283 H GLU 43 HN GLU 43 2.638 1.830 -7.929 284 HA GLU 43 HA GLU 43 1.788 3.604 -5.692 285 1HB GLU 43 HB1 GLU 43 1.580 3.856 -8.715 286 2HB GLU 43 HB2 GLU 43 0.448 4.733 -7.695 287 1HG GLU 43 HG1 GLU 43 2.425 5.518 -6.277 288 2HG GLU 43 HG2 GLU 43 3.497 4.763 -7.444 289 H THR 44 HN THR 44 1.260 1.496 -4.969 290 HA THR 44 HA THR 44 -1.372 0.557 -5.770 291 HB THR 44 HB THR 44 -0.759 -1.243 -3.961 292 HG1 THR 44 HG1 THR 44 0.578 0.774 -3.330 293 1HG2 THR 44 HG2 THR 44 1.470 -0.449 -5.922 294 2HG2 THR 44 HG2 THR 44 1.109 -2.119 -5.369 295 3HG2 THR 44 HG2 THR 44 -0.012 -1.300 -6.467 Start of MODEL 12 1 1H ASP 1 HT1 ASP 1 0.803 -0.509 0.626 2 2H ASP 1 HT2 ASP 1 0.785 1.170 0.902 3 3H ASP 1 HT3 ASP 1 -0.271 0.518 -0.223 4 HA ASP 1 HA ASP 1 1.178 0.783 -1.833 5 1HB ASP 1 HB1 ASP 1 3.618 1.342 -0.183 6 2HB ASP 1 HB2 ASP 1 2.906 2.276 -1.485 7 H LYS 2 HN LYS 2 2.730 -0.453 -2.935 8 HA LYS 2 HA LYS 2 3.540 -2.977 -1.588 9 1HB LYS 2 HB1 LYS 2 2.307 -2.426 -4.171 10 2HB LYS 2 HB2 LYS 2 3.905 -2.998 -4.493 11 1HG LYS 2 HG1 LYS 2 1.839 -4.442 -2.839 12 2HG LYS 2 HG2 LYS 2 2.222 -4.807 -4.520 13 1HD LYS 2 HD1 LYS 2 4.677 -5.172 -3.709 14 2HD LYS 2 HD2 LYS 2 4.025 -5.254 -2.082 15 1HE LYS 2 HE1 LYS 2 3.590 -7.144 -4.425 16 2HE LYS 2 HE2 LYS 2 4.116 -7.522 -2.799 17 1HZ LYS 2 HZ1 LYS 2 1.531 -7.554 -3.818 18 2HZ LYS 2 HZ2 LYS 2 1.999 -7.923 -2.236 19 3HZ LYS 2 HZ3 LYS 2 1.571 -6.319 -2.650 20 H LEU 3 HN LEU 3 5.622 -3.833 -2.205 21 HA LEU 3 HA LEU 3 7.606 -1.647 -2.554 22 1HB LEU 3 HB1 LEU 3 7.748 -3.118 -0.521 23 2HB LEU 3 HB2 LEU 3 7.976 -4.518 -1.542 24 HG LEU 3 HG LEU 3 9.926 -2.213 -1.944 25 1HD1 LEU 3 HD1 LEU 3 9.717 -2.332 0.466 26 2HD1 LEU 3 HD1 LEU 3 10.042 -4.092 0.425 27 3HD1 LEU 3 HD1 LEU 3 11.301 -2.928 -0.094 28 1HD2 LEU 3 HD2 LEU 3 11.507 -4.047 -2.199 29 2HD2 LEU 3 HD2 LEU 3 10.281 -5.225 -1.631 30 3HD2 LEU 3 HD2 LEU 3 10.073 -4.416 -3.202 31 H ILE 4 HN ILE 4 9.463 -2.178 -3.832 32 HA ILE 4 HA ILE 4 8.958 -4.034 -6.123 33 HB ILE 4 HB ILE 4 10.063 -1.212 -6.355 34 1HG1 ILE 4 HG1 ILE 4 7.337 -2.413 -7.052 35 2HG1 ILE 4 HG1 ILE 4 7.632 -1.249 -5.791 36 1HG2 ILE 4 HG2 ILE 4 9.846 -1.613 -8.778 37 2HG2 ILE 4 HG2 ILE 4 10.940 -2.798 -8.036 38 3HG2 ILE 4 HG2 ILE 4 9.268 -3.281 -8.440 39 1HD1 ILE 4 HD1 ILE 4 7.973 -0.805 -8.768 40 2HD1 ILE 4 HD2 ILE 4 6.716 -0.123 -7.681 41 3HD1 ILE 4 HD3 ILE 4 8.406 0.374 -7.482 42 H GLY 5 HN GLY 5 11.336 -2.068 -4.372 43 1HA GLY 5 HA1 GLY 5 13.219 -3.996 -3.837 44 2HA GLY 5 HA2 GLY 5 13.587 -3.514 -5.493 45 H SER 6 HN SER 6 15.585 -2.532 -4.981 46 HA SER 6 HA SER 6 15.583 -0.357 -3.086 47 1HB SER 6 HB1 SER 6 17.694 -1.768 -4.695 48 2HB SER 6 HB2 SER 6 17.987 -0.551 -3.482 49 HG SER 6 HG SER 6 17.941 -2.886 -3.040 50 H CYS 7 HN CYS 7 16.611 1.585 -3.734 51 HA CYS 7 HA CYS 7 16.537 2.297 -6.592 52 1HB CYS 7 HB1 CYS 7 14.327 2.931 -5.471 53 2HB CYS 7 HB2 CYS 7 15.242 4.007 -4.425 54 H VAL 8 HN VAL 8 18.580 1.746 -4.552 55 HA VAL 8 HA VAL 8 19.827 4.396 -4.115 56 HB VAL 8 HB VAL 8 20.641 1.582 -3.245 57 1HG1 VAL 8 HG1 VAL 8 22.646 2.957 -3.573 58 2HG1 VAL 8 HG1 VAL 8 21.928 4.235 -2.544 59 3HG1 VAL 8 HG1 VAL 8 22.357 2.645 -1.842 60 1HG2 VAL 8 HG2 VAL 8 19.664 3.950 -1.668 61 2HG2 VAL 8 HG2 VAL 8 18.742 2.451 -2.051 62 3HG2 VAL 8 HG2 VAL 8 20.152 2.376 -0.974 63 H TRP 9 HN TRP 9 21.484 5.076 -5.286 64 HA TRP 9 HA TRP 9 22.132 3.622 -7.738 65 1HB TRP 9 HB1 TRP 9 22.228 6.408 -6.816 66 2HB TRP 9 HB2 TRP 9 23.822 5.955 -7.392 67 HD1 TRP 9 HD1 TRP 9 24.098 6.363 -9.943 68 HE1 TRP 9 HE1 TRP 9 22.474 6.239 -11.855 69 HE3 TRP 9 HE3 TRP 9 19.938 5.051 -7.489 70 HZ2 TRP 9 HZ2 TRP 9 19.687 5.641 -12.390 71 HZ3 TRP 9 HZ3 TRP 9 17.793 4.689 -8.660 72 HH2 TRP 9 HH2 TRP 9 17.661 4.980 -11.116 73 H GLY 10 HN GLY 10 22.786 1.901 -6.205 74 1HA GLY 10 HA1 GLY 10 25.170 0.876 -6.445 75 2HA GLY 10 HA2 GLY 10 25.591 2.139 -5.293 76 H ALA 11 HN ALA 11 23.129 -0.369 -5.691 77 HA ALA 11 HA ALA 11 23.773 -1.539 -3.096 78 1HB ALA 11 HB1 ALA 11 21.466 -1.285 -2.213 79 2HB ALA 11 HB2 ALA 11 22.236 0.295 -2.524 80 3HB ALA 11 HB3 ALA 11 21.040 -0.380 -3.689 81 H VAL 12 HN VAL 12 22.038 -3.303 -2.680 82 HA VAL 12 HA VAL 12 22.044 -5.006 -5.054 83 HB VAL 12 HB VAL 12 20.706 -5.752 -2.459 84 1HG1 VAL 12 HG1 VAL 12 21.715 -7.941 -2.842 85 2HG1 VAL 12 HG1 VAL 12 20.668 -7.428 -4.180 86 3HG1 VAL 12 HG1 VAL 12 22.456 -7.321 -4.349 87 1HG2 VAL 12 HG2 VAL 12 23.710 -5.671 -2.854 88 2HG2 VAL 12 HG2 VAL 12 22.770 -4.694 -1.682 89 3HG2 VAL 12 HG2 VAL 12 22.863 -6.459 -1.485 90 H ASN 13 HN ASN 13 20.051 -6.248 -5.477 91 HA ASN 13 HA ASN 13 17.910 -6.146 -6.527 92 1HB ASN 13 HB1 ASN 13 16.975 -4.727 -4.083 93 2HB ASN 13 HB2 ASN 13 16.120 -5.942 -4.987 94 1HD2 ASN 13 HD2 ASN 13 16.001 -7.951 -3.788 95 2HD2 ASN 13 HD2 ASN 13 17.187 -8.413 -2.658 96 H TYR 14 HN TYR 14 19.747 -3.864 -6.777 97 HA TYR 14 HA TYR 14 18.417 -1.367 -6.649 98 1HB TYR 14 HB1 TYR 14 20.758 -1.168 -6.946 99 2HB TYR 14 HB2 TYR 14 20.826 -2.428 -8.161 100 HD1 TYR 14 HD1 TYR 14 20.362 -1.950 -10.490 101 HD2 TYR 14 HD2 TYR 14 19.925 1.108 -7.585 102 HE1 TYR 14 HE1 TYR 14 20.184 -0.288 -12.267 103 HE2 TYR 14 HE2 TYR 14 19.752 2.771 -9.343 104 HH TYR 14 HH TYR 14 19.643 3.130 -11.551 105 H THR 15 HN THR 15 16.965 -0.380 -7.927 106 HA THR 15 HA THR 15 16.040 -1.776 -10.350 107 HB THR 15 HB THR 15 14.715 -0.007 -8.276 108 HG1 THR 15 HG1 THR 15 15.135 -2.308 -7.994 109 1HG2 THR 15 HG2 THR 15 13.403 -1.291 -10.702 110 2HG2 THR 15 HG2 THR 15 12.617 -0.431 -9.355 111 3HG2 THR 15 HG2 THR 15 13.632 0.484 -10.500 112 H SER 16 HN SER 16 15.101 -0.304 -11.917 113 HA SER 16 HA SER 16 16.370 2.368 -12.104 114 1HB SER 16 HB1 SER 16 16.503 0.362 -14.416 115 2HB SER 16 HB2 SER 16 17.348 1.916 -14.289 116 HG SER 16 HG SER 16 18.595 1.116 -12.647 117 H ASP 17 HN ASP 17 14.236 0.018 -13.667 118 HA ASP 17 HA ASP 17 12.504 2.211 -14.653 119 1HB ASP 17 HB1 ASP 17 11.721 0.513 -16.278 120 2HB ASP 17 HB2 ASP 17 13.474 0.600 -16.323 121 H CYS 18 HN CYS 18 11.960 2.243 -12.259 122 HA CYS 18 HA CYS 18 10.563 0.212 -10.906 123 1HB CYS 18 HB1 CYS 18 11.315 2.557 -10.166 124 2HB CYS 18 HB2 CYS 18 9.797 3.180 -10.766 125 H ASN 19 HN ASN 19 8.979 2.854 -12.707 126 HA ASN 19 HA ASN 19 6.407 1.833 -12.796 127 1HB ASN 19 HB1 ASN 19 7.367 3.965 -13.968 128 2HB ASN 19 HB2 ASN 19 7.571 2.936 -15.367 129 1HD2 ASN 19 HD2 ASN 19 4.854 1.535 -13.992 130 2HD2 ASN 19 HD2 ASN 19 3.676 2.503 -14.733 131 H GLY 20 HN GLY 20 9.163 0.831 -14.574 132 1HA GLY 20 HA1 GLY 20 7.860 -0.939 -16.449 133 2HA GLY 20 HA2 GLY 20 9.575 -0.991 -16.017 134 H GLU 21 HN GLU 21 9.702 -1.591 -13.523 135 HA GLU 21 HA GLU 21 9.093 -4.351 -13.367 136 1HB GLU 21 HB1 GLU 21 10.753 -2.887 -11.943 137 2HB GLU 21 HB2 GLU 21 9.432 -2.722 -10.824 138 1HG GLU 21 HG1 GLU 21 9.107 -5.163 -10.692 139 2HG GLU 21 HG2 GLU 21 10.419 -5.437 -11.850 140 H CYS 22 HN CYS 22 7.344 -1.589 -12.388 141 HA CYS 22 HA CYS 22 5.354 -3.090 -10.863 142 1HB CYS 22 HB1 CYS 22 5.816 -0.243 -11.537 143 2HB CYS 22 HB2 CYS 22 4.147 -0.673 -11.385 144 H LEU 23 HN LEU 23 5.545 -1.662 -14.142 145 HA LEU 23 HA LEU 23 2.943 -2.365 -14.960 146 1HB LEU 23 HB1 LEU 23 5.608 -1.809 -16.269 147 2HB LEU 23 HB2 LEU 23 4.293 -2.367 -17.234 148 HG LEU 23 HG LEU 23 4.075 0.098 -15.445 149 1HD1 LEU 23 HD1 LEU 23 5.890 0.378 -17.093 150 2HD1 LEU 23 HD1 LEU 23 4.765 -0.072 -18.411 151 3HD1 LEU 23 HD1 LEU 23 4.499 1.428 -17.463 152 1HD2 LEU 23 HD2 LEU 23 2.240 0.708 -16.951 153 2HD2 LEU 23 HD2 LEU 23 2.512 -0.799 -17.881 154 3HD2 LEU 23 HD2 LEU 23 1.938 -0.876 -16.188 155 H LEU 24 HN LEU 24 5.982 -4.049 -14.667 156 HA LEU 24 HA LEU 24 5.336 -6.340 -16.232 157 1HB LEU 24 HB1 LEU 24 7.409 -5.351 -14.421 158 2HB LEU 24 HB2 LEU 24 7.086 -7.012 -14.099 159 HG LEU 24 HG LEU 24 7.720 -5.835 -16.846 160 1HD1 LEU 24 HD1 LEU 24 9.503 -7.386 -14.937 161 2HD1 LEU 24 HD1 LEU 24 9.927 -6.858 -16.590 162 3HD1 LEU 24 HD1 LEU 24 9.630 -5.637 -15.327 163 1HD2 LEU 24 HD2 LEU 24 6.458 -7.960 -16.940 164 2HD2 LEU 24 HD2 LEU 24 8.130 -8.168 -17.522 165 3HD2 LEU 24 HD2 LEU 24 7.682 -8.715 -15.876 166 H ARG 25 HN ARG 25 4.675 -5.408 -13.090 167 HA ARG 25 HA ARG 25 3.383 -7.971 -12.307 168 1HB ARG 25 HB1 ARG 25 3.952 -5.411 -10.773 169 2HB ARG 25 HB2 ARG 25 2.737 -6.502 -10.171 170 1HG ARG 25 HG1 ARG 25 4.491 -7.287 -8.908 171 2HG ARG 25 HG2 ARG 25 4.720 -8.312 -10.299 172 1HD ARG 25 HD1 ARG 25 6.110 -5.627 -10.071 173 2HD ARG 25 HD2 ARG 25 6.870 -7.042 -9.395 174 HE ARG 25 HE ARG 25 6.024 -6.787 -12.251 175 1HH1 ARG 25 HH1 ARG 25 9.566 -7.421 -12.379 176 2HH1 ARG 25 HH1 ARG 25 8.501 -6.054 -12.255 177 1HH2 ARG 25 HH2 ARG 25 8.489 -9.578 -11.638 178 2HH2 ARG 25 HH2 ARG 25 6.854 -9.421 -11.116 179 H GLY 26 HN GLY 26 2.464 -5.461 -14.116 180 1HA GLY 26 HA1 GLY 26 0.356 -4.795 -14.922 181 2HA GLY 26 HA2 GLY 26 -0.349 -6.099 -13.963 182 H TYR 27 HN TYR 27 1.691 -3.887 -12.344 183 HA TYR 27 HA TYR 27 -0.528 -3.012 -10.687 184 1HB TYR 27 HB1 TYR 27 2.443 -2.279 -10.742 185 2HB TYR 27 HB2 TYR 27 1.348 -1.589 -9.585 186 HD1 TYR 27 HD1 TYR 27 -0.251 -4.151 -8.890 187 HD2 TYR 27 HD2 TYR 27 3.932 -3.444 -9.250 188 HE1 TYR 27 HE1 TYR 27 0.189 -5.943 -7.322 189 HE2 TYR 27 HE2 TYR 27 4.376 -5.243 -7.677 190 HH TYR 27 HH TYR 27 3.116 -7.384 -6.940 191 H LYS 28 HN LYS 28 -0.573 -0.626 -10.091 192 HA LYS 28 HA LYS 28 -1.416 0.814 -12.451 193 1HB LYS 28 HB1 LYS 28 -0.914 2.032 -9.692 194 2HB LYS 28 HB2 LYS 28 -1.906 2.666 -10.969 195 1HG LYS 28 HG1 LYS 28 -3.558 1.811 -9.669 196 2HG LYS 28 HG2 LYS 28 -3.282 0.417 -10.694 197 1HD LYS 28 HD1 LYS 28 -2.311 -0.850 -8.979 198 2HD LYS 28 HD2 LYS 28 -1.637 0.568 -8.184 199 1HE LYS 28 HE1 LYS 28 -3.988 1.240 -7.520 200 2HE LYS 28 HE2 LYS 28 -4.602 -0.223 -8.261 201 1HZ LYS 28 HZ1 LYS 28 -2.627 -0.946 -6.243 202 2HZ LYS 28 HZ2 LYS 28 -3.670 0.194 -5.687 203 3HZ LYS 28 HZ3 LYS 28 -4.274 -1.250 -6.321 204 H GLY 29 HN GLY 29 1.403 0.833 -10.369 205 1HA GLY 29 HA1 GLY 29 3.230 1.737 -12.231 206 2HA GLY 29 HA2 GLY 29 2.558 3.212 -11.525 207 H GLY 30 HN GLY 30 5.031 3.156 -11.030 208 1HA GLY 30 HA1 GLY 30 5.263 2.642 -8.186 209 2HA GLY 30 HA2 GLY 30 6.364 1.664 -9.159 210 H HIS 31 HN HIS 31 7.153 3.483 -7.279 211 HA HIS 31 HA HIS 31 8.910 5.215 -8.811 212 1HB HIS 31 HB1 HIS 31 8.168 7.367 -7.688 213 2HB HIS 31 HB2 HIS 31 6.908 6.708 -8.718 214 HD1 HIS 31 HD1 HIS 31 4.772 5.953 -7.512 215 HD2 HIS 31 HD2 HIS 31 7.670 6.980 -4.738 216 HE1 HIS 31 HE1 HIS 31 3.665 5.953 -5.321 217 HE2 HIS 31 HE2 HIS 31 5.457 6.593 -3.686 218 H CYS 32 HN CYS 32 10.422 6.411 -7.401 219 HA CYS 32 HA CYS 32 11.163 4.704 -5.168 220 1HB CYS 32 HB1 CYS 32 12.370 7.240 -6.315 221 2HB CYS 32 HB2 CYS 32 13.087 6.284 -5.032 222 H GLY 33 HN GLY 33 11.301 5.340 -3.064 223 1HA GLY 33 HA1 GLY 33 9.329 6.241 -1.582 224 2HA GLY 33 HA2 GLY 33 10.934 6.828 -1.190 225 H SER 34 HN SER 34 11.451 8.934 -1.627 226 HA SER 34 HA SER 34 10.045 10.731 -3.306 227 1HB SER 34 HB1 SER 34 9.194 10.839 -0.336 228 2HB SER 34 HB2 SER 34 9.119 12.256 -1.373 229 HG SER 34 HG SER 34 7.986 10.001 -2.482 230 H PHE 35 HN PHE 35 11.247 11.032 -0.020 231 HA PHE 35 HA PHE 35 13.451 12.782 -1.062 232 1HB PHE 35 HB1 PHE 35 11.398 13.716 0.429 233 2HB PHE 35 HB2 PHE 35 12.376 13.098 1.743 234 HD1 PHE 35 HD1 PHE 35 14.817 13.990 1.979 235 HD2 PHE 35 HD2 PHE 35 11.946 15.757 -0.635 236 HE1 PHE 35 HE1 PHE 35 16.164 16.028 1.867 237 HE2 PHE 35 HE2 PHE 35 13.303 17.797 -0.736 238 HZ PHE 35 HZ PHE 35 15.415 17.939 0.513 239 H ALA 36 HN ALA 36 13.626 9.993 -0.807 240 HA ALA 36 HA ALA 36 15.989 9.795 0.699 241 1HB ALA 36 HB1 ALA 36 15.183 7.997 2.247 242 2HB ALA 36 HB2 ALA 36 14.361 9.556 2.545 243 3HB ALA 36 HB3 ALA 36 13.528 8.259 1.630 244 H ASN 37 HN ASN 37 15.618 9.510 -1.788 245 HA ASN 37 HA ASN 37 14.911 7.258 -3.176 246 1HB ASN 37 HB1 ASN 37 16.414 9.485 -3.851 247 2HB ASN 37 HB2 ASN 37 17.708 8.325 -3.719 248 1HD2 ASN 37 HD2 ASN 37 14.895 6.721 -4.928 249 2HD2 ASN 37 HD2 ASN 37 15.332 6.901 -6.553 250 H VAL 38 HN VAL 38 15.013 5.417 -1.932 251 HA VAL 38 HA VAL 38 17.660 4.176 -1.735 252 HB VAL 38 HB VAL 38 16.971 5.428 0.381 253 1HG1 VAL 38 HG1 VAL 38 15.187 3.009 0.815 254 2HG1 VAL 38 HG1 VAL 38 15.590 4.255 2.027 255 3HG1 VAL 38 HG1 VAL 38 14.655 4.707 0.574 256 1HG2 VAL 38 HG2 VAL 38 18.822 4.083 0.411 257 2HG2 VAL 38 HG2 VAL 38 17.908 3.843 1.927 258 3HG2 VAL 38 HG2 VAL 38 17.840 2.602 0.648 259 H ASN 39 HN ASN 39 14.163 3.797 -1.312 260 HA ASN 39 HA ASN 39 14.393 1.210 -2.744 261 1HB ASN 39 HB1 ASN 39 13.066 1.604 -0.016 262 2HB ASN 39 HB2 ASN 39 12.279 0.597 -1.189 263 1HD2 ASN 39 HD2 ASN 39 15.850 0.426 -1.393 264 2HD2 ASN 39 HD2 ASN 39 15.903 -1.106 -0.688 265 H CYS 40 HN CYS 40 12.528 0.559 -3.787 266 HA CYS 40 HA CYS 40 10.826 2.897 -4.592 267 1HB CYS 40 HB1 CYS 40 12.492 1.380 -6.244 268 2HB CYS 40 HB2 CYS 40 10.969 0.580 -6.499 269 H TRP 41 HN TRP 41 8.694 2.541 -5.026 270 HA TRP 41 HA TRP 41 7.473 0.060 -3.948 271 1HB TRP 41 HB1 TRP 41 6.611 2.871 -3.070 272 2HB TRP 41 HB2 TRP 41 5.959 1.351 -2.511 273 HD1 TRP 41 HD1 TRP 41 9.419 3.247 -2.487 274 HE1 TRP 41 HE1 TRP 41 10.595 2.415 -0.434 275 HE3 TRP 41 HE3 TRP 41 6.067 -0.100 -0.868 276 HZ2 TRP 41 HZ2 TRP 41 10.206 0.537 1.763 277 HZ3 TRP 41 HZ3 TRP 41 6.418 -1.400 1.171 278 HH2 TRP 41 HH2 TRP 41 8.491 -1.096 2.513 279 H CYS 42 HN CYS 42 5.286 -0.190 -4.609 280 HA CYS 42 HA CYS 42 4.828 0.930 -7.302 281 1HB CYS 42 HB1 CYS 42 4.375 -1.577 -6.251 282 2HB CYS 42 HB2 CYS 42 2.766 -0.886 -6.192 283 H GLU 43 HN GLU 43 2.657 1.710 -7.725 284 HA GLU 43 HA GLU 43 1.709 3.573 -5.664 285 1HB GLU 43 HB1 GLU 43 2.491 3.820 -8.348 286 2HB GLU 43 HB2 GLU 43 0.762 3.780 -8.478 287 1HG GLU 43 HG1 GLU 43 0.505 5.888 -7.669 288 2HG GLU 43 HG2 GLU 43 1.691 5.664 -6.395 289 H THR 44 HN THR 44 0.983 1.251 -5.025 290 HA THR 44 HA THR 44 -1.625 0.699 -6.216 291 HB THR 44 HB THR 44 -0.245 -1.309 -5.821 292 HG1 THR 44 HG1 THR 44 -2.288 -0.823 -3.940 293 1HG2 THR 44 HG2 THR 44 0.340 -2.036 -3.586 294 2HG2 THR 44 HG2 THR 44 1.034 -0.396 -3.826 295 3HG2 THR 44 HG2 THR 44 -0.450 -0.617 -2.853 Start of MODEL 13 1 1H ASP 1 HT1 ASP 1 -0.158 0.755 -0.303 2 2H ASP 1 HT2 ASP 1 0.477 -0.710 0.307 3 3H ASP 1 HT3 ASP 1 0.925 0.749 1.053 4 HA ASP 1 HA ASP 1 1.491 0.798 -1.739 5 1HB ASP 1 HB1 ASP 1 3.751 1.394 -0.906 6 2HB ASP 1 HB2 ASP 1 2.702 2.024 0.340 7 H LYS 2 HN LYS 2 3.560 -0.272 -2.334 8 HA LYS 2 HA LYS 2 3.670 -3.107 -1.616 9 1HB LYS 2 HB1 LYS 2 1.765 -2.503 -3.336 10 2HB LYS 2 HB2 LYS 2 3.058 -2.415 -4.507 11 1HG LYS 2 HG1 LYS 2 2.093 -4.528 -4.708 12 2HG LYS 2 HG2 LYS 2 3.657 -4.801 -3.941 13 1HD LYS 2 HD1 LYS 2 2.406 -4.853 -1.683 14 2HD LYS 2 HD2 LYS 2 0.911 -4.669 -2.582 15 1HE LYS 2 HE1 LYS 2 1.440 -6.781 -3.855 16 2HE LYS 2 HE2 LYS 2 2.884 -6.987 -2.879 17 1HZ LYS 2 HZ1 LYS 2 0.260 -7.780 -2.252 18 2HZ LYS 2 HZ2 LYS 2 1.644 -7.990 -1.313 19 3HZ LYS 2 HZ3 LYS 2 0.709 -6.588 -1.140 20 H LEU 3 HN LEU 3 5.791 -2.812 -1.129 21 HA LEU 3 HA LEU 3 7.708 -1.377 -2.612 22 1HB LEU 3 HB1 LEU 3 8.014 -2.329 -0.271 23 2HB LEU 3 HB2 LEU 3 8.211 -3.913 -0.978 24 HG LEU 3 HG LEU 3 10.051 -1.727 -2.019 25 1HD1 LEU 3 HD1 LEU 3 10.023 -1.327 0.369 26 2HD1 LEU 3 HD1 LEU 3 10.411 -3.044 0.690 27 3HD1 LEU 3 HD1 LEU 3 11.584 -1.984 -0.168 28 1HD2 LEU 3 HD2 LEU 3 10.234 -4.148 -2.769 29 2HD2 LEU 3 HD2 LEU 3 11.699 -3.489 -1.981 30 3HD2 LEU 3 HD2 LEU 3 10.586 -4.568 -1.079 31 H ILE 4 HN ILE 4 9.447 -2.230 -3.891 32 HA ILE 4 HA ILE 4 8.782 -4.686 -5.452 33 HB ILE 4 HB ILE 4 9.216 -3.595 -7.610 34 1HG1 ILE 4 HG1 ILE 4 9.704 -0.962 -6.177 35 2HG1 ILE 4 HG1 ILE 4 10.984 -1.935 -6.886 36 1HG2 ILE 4 HG2 ILE 4 7.391 -1.889 -5.905 37 2HG2 ILE 4 HG2 ILE 4 7.333 -2.020 -7.687 38 3HG2 ILE 4 HG2 ILE 4 6.989 -3.451 -6.676 39 1HD1 ILE 4 HD1 ILE 4 8.642 -0.721 -8.380 40 2HD1 ILE 4 HD2 ILE 4 10.340 -0.199 -8.415 41 3HD1 ILE 4 HD3 ILE 4 9.894 -1.802 -9.073 42 H GLY 5 HN GLY 5 11.212 -2.289 -4.570 43 1HA GLY 5 HA1 GLY 5 13.219 -4.129 -3.864 44 2HA GLY 5 HA2 GLY 5 13.441 -3.811 -5.584 45 H SER 6 HN SER 6 15.468 -2.715 -5.285 46 HA SER 6 HA SER 6 15.509 -0.439 -3.520 47 1HB SER 6 HB1 SER 6 17.658 -1.447 -5.398 48 2HB SER 6 HB2 SER 6 17.776 -0.550 -3.914 49 HG SER 6 HG SER 6 17.986 -2.977 -4.056 50 H CYS 7 HN CYS 7 16.804 1.484 -4.679 51 HA CYS 7 HA CYS 7 15.809 2.068 -7.389 52 1HB CYS 7 HB1 CYS 7 14.219 2.790 -5.234 53 2HB CYS 7 HB2 CYS 7 15.132 4.261 -5.471 54 H VAL 8 HN VAL 8 18.306 1.586 -6.688 55 HA VAL 8 HA VAL 8 19.643 4.146 -7.129 56 HB VAL 8 HB VAL 8 20.072 2.393 -4.682 57 1HG1 VAL 8 HG1 VAL 8 22.270 3.393 -4.290 58 2HG1 VAL 8 HG1 VAL 8 22.292 2.372 -5.749 59 3HG1 VAL 8 HG1 VAL 8 22.220 4.155 -5.910 60 1HG2 VAL 8 HG2 VAL 8 20.415 4.595 -3.646 61 2HG2 VAL 8 HG2 VAL 8 20.205 5.377 -5.231 62 3HG2 VAL 8 HG2 VAL 8 18.836 4.489 -4.493 63 H TRP 9 HN TRP 9 21.039 3.907 -8.694 64 HA TRP 9 HA TRP 9 21.681 1.295 -9.799 65 1HB TRP 9 HB1 TRP 9 21.548 3.903 -10.889 66 2HB TRP 9 HB2 TRP 9 23.269 3.682 -10.730 67 HD1 TRP 9 HD1 TRP 9 20.902 3.469 -13.354 68 HE1 TRP 9 HE1 TRP 9 21.516 1.694 -14.995 69 HE3 TRP 9 HE3 TRP 9 24.302 0.807 -10.680 70 HZ2 TRP 9 HZ2 TRP 9 23.204 -0.592 -15.284 71 HZ3 TRP 9 HZ3 TRP 9 25.393 -1.155 -11.649 72 HH2 TRP 9 HH2 TRP 9 24.856 -1.867 -13.953 73 H GLY 10 HN GLY 10 22.962 0.139 -8.536 74 1HA GLY 10 HA1 GLY 10 25.565 -0.038 -8.284 75 2HA GLY 10 HA2 GLY 10 25.362 1.374 -7.253 76 H ALA 11 HN ALA 11 22.657 0.122 -6.501 77 HA ALA 11 HA ALA 11 23.761 -1.473 -4.267 78 1HB ALA 11 HB1 ALA 11 21.505 -1.144 -3.290 79 2HB ALA 11 HB2 ALA 11 22.246 0.411 -3.769 80 3HB ALA 11 HB3 ALA 11 20.989 -0.340 -4.801 81 H VAL 12 HN VAL 12 22.269 -3.270 -3.571 82 HA VAL 12 HA VAL 12 22.039 -5.133 -5.812 83 HB VAL 12 HB VAL 12 21.160 -5.747 -2.986 84 1HG1 VAL 12 HG1 VAL 12 22.112 -7.947 -3.383 85 2HG1 VAL 12 HG1 VAL 12 20.814 -7.541 -4.519 86 3HG1 VAL 12 HG1 VAL 12 22.532 -7.447 -5.048 87 1HG2 VAL 12 HG2 VAL 12 24.034 -5.699 -3.946 88 2HG2 VAL 12 HG2 VAL 12 23.333 -4.628 -2.693 89 3HG2 VAL 12 HG2 VAL 12 23.476 -6.376 -2.384 90 H ASN 13 HN ASN 13 20.081 -6.524 -5.825 91 HA ASN 13 HA ASN 13 17.827 -6.608 -6.583 92 1HB ASN 13 HB1 ASN 13 16.705 -5.118 -4.317 93 2HB ASN 13 HB2 ASN 13 16.478 -6.789 -4.746 94 1HD2 ASN 13 HD2 ASN 13 17.901 -4.721 -2.523 95 2HD2 ASN 13 HD2 ASN 13 18.825 -5.877 -1.679 96 H TYR 14 HN TYR 14 19.440 -4.308 -7.267 97 HA TYR 14 HA TYR 14 18.066 -1.844 -7.152 98 1HB TYR 14 HB1 TYR 14 20.393 -1.972 -7.837 99 2HB TYR 14 HB2 TYR 14 19.973 -3.031 -9.174 100 HD1 TYR 14 HD1 TYR 14 18.379 0.193 -8.077 101 HD2 TYR 14 HD2 TYR 14 20.540 -1.886 -11.091 102 HE1 TYR 14 HE1 TYR 14 18.149 2.119 -9.574 103 HE2 TYR 14 HE2 TYR 14 20.316 0.036 -12.576 104 HH TYR 14 HH TYR 14 19.637 2.974 -11.648 105 H THR 15 HN THR 15 16.600 -0.824 -8.510 106 HA THR 15 HA THR 15 14.939 -2.674 -10.086 107 HB THR 15 HB THR 15 14.526 0.068 -8.840 108 HG1 THR 15 HG1 THR 15 13.880 -2.595 -8.285 109 1HG2 THR 15 HG2 THR 15 12.501 -1.601 -10.395 110 2HG2 THR 15 HG2 THR 15 12.206 -0.086 -9.486 111 3HG2 THR 15 HG2 THR 15 13.203 -0.060 -10.968 112 H SER 16 HN SER 16 15.833 0.737 -10.539 113 HA SER 16 HA SER 16 16.887 1.773 -12.348 114 1HB SER 16 HB1 SER 16 17.749 -0.819 -12.987 115 2HB SER 16 HB2 SER 16 16.591 -0.549 -14.296 116 HG SER 16 HG SER 16 18.492 1.377 -13.471 117 H ASP 17 HN ASP 17 14.168 -0.362 -12.800 118 HA ASP 17 HA ASP 17 12.773 1.845 -14.196 119 1HB ASP 17 HB1 ASP 17 11.952 0.217 -15.892 120 2HB ASP 17 HB2 ASP 17 13.701 0.314 -15.898 121 H CYS 18 HN CYS 18 11.781 2.222 -12.234 122 HA CYS 18 HA CYS 18 10.330 0.198 -10.772 123 1HB CYS 18 HB1 CYS 18 11.179 2.625 -10.177 124 2HB CYS 18 HB2 CYS 18 9.617 3.162 -10.725 125 H ASN 19 HN ASN 19 8.844 2.961 -12.509 126 HA ASN 19 HA ASN 19 6.304 1.980 -12.778 127 1HB ASN 19 HB1 ASN 19 7.363 4.151 -13.812 128 2HB ASN 19 HB2 ASN 19 7.575 3.171 -15.251 129 1HD2 ASN 19 HD2 ASN 19 4.875 1.633 -14.425 130 2HD2 ASN 19 HD2 ASN 19 3.705 2.748 -14.937 131 H GLY 20 HN GLY 20 9.111 1.006 -14.469 132 1HA GLY 20 HA1 GLY 20 7.872 -0.660 -16.489 133 2HA GLY 20 HA2 GLY 20 9.564 -0.776 -15.981 134 H GLU 21 HN GLU 21 9.646 -1.572 -13.545 135 HA GLU 21 HA GLU 21 8.946 -4.290 -13.505 136 1HB GLU 21 HB1 GLU 21 10.612 -3.074 -12.065 137 2HB GLU 21 HB2 GLU 21 9.305 -2.520 -11.069 138 1HG GLU 21 HG1 GLU 21 10.187 -4.584 -10.004 139 2HG GLU 21 HG2 GLU 21 8.594 -4.921 -10.626 140 H CYS 22 HN CYS 22 7.265 -1.540 -12.353 141 HA CYS 22 HA CYS 22 5.174 -3.035 -11.024 142 1HB CYS 22 HB1 CYS 22 5.771 -0.153 -11.595 143 2HB CYS 22 HB2 CYS 22 4.115 -0.548 -11.275 144 H LEU 23 HN LEU 23 5.494 -1.395 -14.188 145 HA LEU 23 HA LEU 23 2.884 -1.985 -15.090 146 1HB LEU 23 HB1 LEU 23 5.522 -1.183 -16.273 147 2HB LEU 23 HB2 LEU 23 4.510 -2.070 -17.346 148 HG LEU 23 HG LEU 23 3.585 0.419 -15.838 149 1HD1 LEU 23 HD1 LEU 23 4.524 0.111 -18.715 150 2HD1 LEU 23 HD1 LEU 23 3.819 1.597 -17.998 151 3HD1 LEU 23 HD1 LEU 23 5.377 0.967 -17.399 152 1HD2 LEU 23 HD2 LEU 23 1.768 0.435 -17.479 153 2HD2 LEU 23 HD2 LEU 23 2.426 -1.055 -18.232 154 3HD2 LEU 23 HD2 LEU 23 1.766 -1.096 -16.571 155 H LEU 24 HN LEU 24 5.846 -3.795 -14.828 156 HA LEU 24 HA LEU 24 5.197 -5.969 -16.530 157 1HB LEU 24 HB1 LEU 24 7.203 -5.174 -14.595 158 2HB LEU 24 HB2 LEU 24 6.741 -6.784 -14.209 159 HG LEU 24 HG LEU 24 7.564 -5.729 -16.946 160 1HD1 LEU 24 HD1 LEU 24 9.721 -6.884 -16.559 161 2HD1 LEU 24 HD1 LEU 24 9.418 -5.593 -15.364 162 3HD1 LEU 24 HD1 LEU 24 9.177 -7.306 -14.906 163 1HD2 LEU 24 HD2 LEU 24 7.902 -8.129 -17.538 164 2HD2 LEU 24 HD2 LEU 24 7.302 -8.581 -15.913 165 3HD2 LEU 24 HD2 LEU 24 6.212 -7.782 -17.089 166 H ARG 25 HN ARG 25 4.496 -5.265 -13.292 167 HA ARG 25 HA ARG 25 2.872 -7.733 -12.955 168 1HB ARG 25 HB1 ARG 25 3.764 -5.595 -10.955 169 2HB ARG 25 HB2 ARG 25 2.813 -6.987 -10.506 170 1HG ARG 25 HG1 ARG 25 4.654 -8.333 -10.524 171 2HG ARG 25 HG2 ARG 25 5.067 -7.888 -12.157 172 1HD ARG 25 HD1 ARG 25 6.858 -6.725 -11.428 173 2HD ARG 25 HD2 ARG 25 5.755 -5.581 -10.736 174 HE ARG 25 HE ARG 25 7.063 -6.254 -8.949 175 1HH1 ARG 25 HH1 ARG 25 5.472 -8.918 -7.135 176 2HH1 ARG 25 HH1 ARG 25 5.354 -7.208 -7.192 177 1HH2 ARG 25 HH2 ARG 25 6.487 -10.086 -9.036 178 2HH2 ARG 25 HH2 ARG 25 7.089 -9.020 -10.258 179 H GLY 26 HN GLY 26 2.202 -5.203 -14.513 180 1HA GLY 26 HA1 GLY 26 0.274 -4.033 -15.087 181 2HA GLY 26 HA2 GLY 26 -0.601 -5.380 -14.367 182 H TYR 27 HN TYR 27 1.629 -3.498 -12.559 183 HA TYR 27 HA TYR 27 -0.418 -2.785 -10.624 184 1HB TYR 27 HB1 TYR 27 2.559 -2.243 -10.913 185 2HB TYR 27 HB2 TYR 27 1.667 -1.407 -9.688 186 HD1 TYR 27 HD1 TYR 27 4.046 -3.314 -9.359 187 HD2 TYR 27 HD2 TYR 27 -0.144 -4.002 -8.974 188 HE1 TYR 27 HE1 TYR 27 4.490 -5.109 -7.801 189 HE2 TYR 27 HE2 TYR 27 0.315 -5.803 -7.410 190 HH TYR 27 HH TYR 27 2.541 -7.414 -7.095 191 H LYS 28 HN LYS 28 -0.795 -0.633 -9.900 192 HA LYS 28 HA LYS 28 -1.709 1.074 -11.965 193 1HB LYS 28 HB1 LYS 28 -1.069 1.575 -9.031 194 2HB LYS 28 HB2 LYS 28 -2.121 2.596 -9.999 195 1HG LYS 28 HG1 LYS 28 -3.855 1.027 -10.073 196 2HG LYS 28 HG2 LYS 28 -2.814 -0.356 -10.106 197 1HD LYS 28 HD1 LYS 28 -3.910 -0.479 -8.027 198 2HD LYS 28 HD2 LYS 28 -2.285 0.061 -7.663 199 1HE LYS 28 HE1 LYS 28 -3.010 2.377 -7.359 200 2HE LYS 28 HE2 LYS 28 -4.581 2.050 -8.073 201 1HZ LYS 28 HZ1 LYS 28 -4.125 0.300 -5.907 202 2HZ LYS 28 HZ2 LYS 28 -3.793 1.860 -5.430 203 3HZ LYS 28 HZ3 LYS 28 -5.333 1.511 -6.030 204 H GLY 29 HN GLY 29 1.309 0.858 -10.277 205 1HA GLY 29 HA1 GLY 29 2.952 1.986 -12.144 206 2HA GLY 29 HA2 GLY 29 2.331 3.394 -11.266 207 H GLY 30 HN GLY 30 4.833 3.433 -10.915 208 1HA GLY 30 HA1 GLY 30 5.273 2.657 -8.182 209 2HA GLY 30 HA2 GLY 30 6.310 1.770 -9.304 210 H HIS 31 HN HIS 31 7.150 3.514 -7.325 211 HA HIS 31 HA HIS 31 8.690 5.447 -8.897 212 1HB HIS 31 HB1 HIS 31 7.956 7.420 -7.505 213 2HB HIS 31 HB2 HIS 31 6.581 6.700 -8.332 214 HD1 HIS 31 HD1 HIS 31 4.655 6.481 -6.755 215 HD2 HIS 31 HD2 HIS 31 8.159 5.942 -4.637 216 HE1 HIS 31 HE1 HIS 31 3.990 6.074 -4.427 217 HE2 HIS 31 HE2 HIS 31 6.128 5.771 -3.185 218 H CYS 32 HN CYS 32 10.330 6.602 -7.511 219 HA CYS 32 HA CYS 32 11.537 4.629 -5.763 220 1HB CYS 32 HB1 CYS 32 12.356 7.493 -6.418 221 2HB CYS 32 HB2 CYS 32 13.223 6.505 -5.291 222 H GLY 33 HN GLY 33 11.916 4.891 -3.561 223 1HA GLY 33 HA1 GLY 33 9.992 5.450 -1.841 224 2HA GLY 33 HA2 GLY 33 11.623 5.862 -1.414 225 H SER 34 HN SER 34 12.285 8.008 -1.702 226 HA SER 34 HA SER 34 10.268 10.057 -2.295 227 1HB SER 34 HB1 SER 34 10.842 11.077 0.044 228 2HB SER 34 HB2 SER 34 9.892 9.582 0.088 229 HG SER 34 HG SER 34 12.249 9.937 1.151 230 H PHE 35 HN PHE 35 13.401 9.642 -0.830 231 HA PHE 35 HA PHE 35 14.909 10.891 -2.902 232 1HB PHE 35 HB1 PHE 35 13.580 12.791 -1.706 233 2HB PHE 35 HB2 PHE 35 14.684 12.553 -0.377 234 HD1 PHE 35 HD1 PHE 35 17.256 12.677 -0.891 235 HD2 PHE 35 HD2 PHE 35 14.263 14.143 -3.555 236 HE1 PHE 35 HE1 PHE 35 18.936 14.039 -2.035 237 HE2 PHE 35 HE2 PHE 35 15.959 15.513 -4.693 238 HZ PHE 35 HZ PHE 35 18.295 15.462 -3.936 239 H ALA 36 HN ALA 36 15.987 9.053 -2.542 240 HA ALA 36 HA ALA 36 18.046 8.056 -1.974 241 1HB ALA 36 HB1 ALA 36 18.021 9.727 0.579 242 2HB ALA 36 HB2 ALA 36 19.333 8.711 -0.042 243 3HB ALA 36 HB3 ALA 36 18.850 10.179 -0.950 244 H ASN 37 HN ASN 37 15.404 7.291 -1.399 245 HA ASN 37 HA ASN 37 15.372 6.030 1.195 246 1HB ASN 37 HB1 ASN 37 13.360 6.941 -0.317 247 2HB ASN 37 HB2 ASN 37 13.492 5.331 -1.030 248 1HD2 ASN 37 HD2 ASN 37 12.091 7.106 1.435 249 2HD2 ASN 37 HD2 ASN 37 11.628 5.818 2.450 250 H VAL 38 HN VAL 38 16.633 5.444 -1.798 251 HA VAL 38 HA VAL 38 17.380 3.594 -2.982 252 HB VAL 38 HB VAL 38 18.978 2.330 -1.721 253 1HG1 VAL 38 HG1 VAL 38 20.222 4.086 -0.453 254 2HG1 VAL 38 HG1 VAL 38 19.486 4.756 -1.948 255 3HG1 VAL 38 HG1 VAL 38 18.715 5.043 -0.372 256 1HG2 VAL 38 HG2 VAL 38 19.215 2.283 0.700 257 2HG2 VAL 38 HG2 VAL 38 17.729 3.260 0.879 258 3HG2 VAL 38 HG2 VAL 38 17.641 1.603 0.205 259 H ASN 39 HN ASN 39 14.696 3.494 -2.226 260 HA ASN 39 HA ASN 39 14.132 0.625 -2.490 261 1HB ASN 39 HB1 ASN 39 13.172 2.318 -0.188 262 2HB ASN 39 HB2 ASN 39 12.256 0.980 -0.814 263 1HD2 ASN 39 HD2 ASN 39 15.088 1.835 0.973 264 2HD2 ASN 39 HD2 ASN 39 15.522 0.245 1.404 265 H CYS 40 HN CYS 40 12.857 0.508 -4.185 266 HA CYS 40 HA CYS 40 11.072 2.819 -4.805 267 1HB CYS 40 HB1 CYS 40 12.727 1.412 -6.490 268 2HB CYS 40 HB2 CYS 40 11.256 0.524 -6.716 269 H TRP 41 HN TRP 41 8.974 2.565 -4.995 270 HA TRP 41 HA TRP 41 7.736 0.040 -4.010 271 1HB TRP 41 HB1 TRP 41 6.703 2.833 -3.336 272 2HB TRP 41 HB2 TRP 41 6.204 1.311 -2.624 273 HD1 TRP 41 HD1 TRP 41 9.500 3.461 -2.886 274 HE1 TRP 41 HE1 TRP 41 10.699 3.025 -0.744 275 HE3 TRP 41 HE3 TRP 41 6.393 0.156 -0.817 276 HZ2 TRP 41 HZ2 TRP 41 10.430 1.443 1.705 277 HZ3 TRP 41 HZ3 TRP 41 6.783 -0.821 1.350 278 HH2 TRP 41 HH2 TRP 41 8.830 -0.197 2.672 279 H CYS 42 HN CYS 42 5.428 -0.088 -4.511 280 HA CYS 42 HA CYS 42 5.062 0.923 -7.286 281 1HB CYS 42 HB1 CYS 42 4.765 -1.545 -6.278 282 2HB CYS 42 HB2 CYS 42 3.142 -0.960 -6.076 283 H GLU 43 HN GLU 43 2.740 1.470 -7.704 284 HA GLU 43 HA GLU 43 1.824 3.522 -5.814 285 1HB GLU 43 HB1 GLU 43 2.406 3.575 -8.530 286 2HB GLU 43 HB2 GLU 43 0.680 3.359 -8.591 287 1HG GLU 43 HG1 GLU 43 0.961 5.707 -8.602 288 2HG GLU 43 HG2 GLU 43 0.659 5.352 -6.903 289 H THR 44 HN THR 44 1.221 1.258 -4.882 290 HA THR 44 HA THR 44 -1.467 0.434 -5.810 291 HB THR 44 HB THR 44 -1.179 -1.373 -3.944 292 HG1 THR 44 HG1 THR 44 0.333 0.429 -3.171 293 1HG2 THR 44 HG2 THR 44 0.695 -2.489 -5.061 294 2HG2 THR 44 HG2 THR 44 -0.159 -1.624 -6.358 295 3HG2 THR 44 HG2 THR 44 1.300 -0.892 -5.654 Start of MODEL 14 1 1H ASP 1 HT1 ASP 1 0.739 0.622 -0.224 2 2H ASP 1 HT2 ASP 1 2.012 -0.454 0.186 3 3H ASP 1 HT3 ASP 1 2.238 1.242 0.243 4 HA ASP 1 HA ASP 1 1.438 0.620 -2.346 5 1HB ASP 1 HB1 ASP 1 4.329 0.930 -1.438 6 2HB ASP 1 HB2 ASP 1 3.661 1.433 -2.957 7 H LYS 2 HN LYS 2 2.668 -0.748 -3.893 8 HA LYS 2 HA LYS 2 3.369 -3.319 -2.693 9 1HB LYS 2 HB1 LYS 2 2.213 -2.282 -5.280 10 2HB LYS 2 HB2 LYS 2 3.136 -3.721 -5.295 11 1HG LYS 2 HG1 LYS 2 0.697 -3.170 -3.491 12 2HG LYS 2 HG2 LYS 2 0.602 -4.052 -4.998 13 1HD LYS 2 HD1 LYS 2 2.251 -5.758 -4.038 14 2HD LYS 2 HD2 LYS 2 2.107 -4.938 -2.495 15 1HE LYS 2 HE1 LYS 2 -0.233 -5.458 -2.267 16 2HE LYS 2 HE2 LYS 2 -0.357 -6.010 -3.927 17 1HZ LYS 2 HZ1 LYS 2 1.662 -7.533 -2.694 18 2HZ LYS 2 HZ2 LYS 2 0.328 -7.543 -1.646 19 3HZ LYS 2 HZ3 LYS 2 0.158 -8.053 -3.242 20 H LEU 3 HN LEU 3 5.403 -3.289 -2.205 21 HA LEU 3 HA LEU 3 7.473 -1.751 -3.384 22 1HB LEU 3 HB1 LEU 3 7.448 -2.998 -1.097 23 2HB LEU 3 HB2 LEU 3 7.814 -4.458 -1.988 24 HG LEU 3 HG LEU 3 9.688 -2.064 -2.343 25 1HD1 LEU 3 HD1 LEU 3 9.295 -2.312 0.061 26 2HD1 LEU 3 HD1 LEU 3 9.718 -4.040 -0.029 27 3HD1 LEU 3 HD1 LEU 3 10.952 -2.787 -0.404 28 1HD2 LEU 3 HD2 LEU 3 10.242 -5.036 -2.007 29 2HD2 LEU 3 HD2 LEU 3 10.071 -4.253 -3.583 30 3HD2 LEU 3 HD2 LEU 3 11.388 -3.731 -2.493 31 H ILE 4 HN ILE 4 9.278 -2.558 -4.566 32 HA ILE 4 HA ILE 4 8.692 -4.837 -6.412 33 HB ILE 4 HB ILE 4 9.574 -3.488 -8.334 34 1HG1 ILE 4 HG1 ILE 4 9.447 -1.150 -6.388 35 2HG1 ILE 4 HG1 ILE 4 10.889 -1.823 -7.157 36 1HG2 ILE 4 HG2 ILE 4 7.495 -2.195 -8.644 37 2HG2 ILE 4 HG2 ILE 4 7.159 -3.745 -7.841 38 3HG2 ILE 4 HG2 ILE 4 7.211 -2.242 -6.872 39 1HD1 ILE 4 HD1 ILE 4 10.172 0.207 -8.297 40 2HD1 ILE 4 HD2 ILE 4 10.089 -1.238 -9.331 41 3HD1 ILE 4 HD3 ILE 4 8.587 -0.525 -8.634 42 H GLY 5 HN GLY 5 11.092 -2.568 -5.196 43 1HA GLY 5 HA1 GLY 5 12.992 -4.466 -4.423 44 2HA GLY 5 HA2 GLY 5 13.403 -4.077 -6.078 45 H SER 6 HN SER 6 15.307 -3.015 -5.581 46 HA SER 6 HA SER 6 15.148 -0.702 -3.720 47 1HB SER 6 HB1 SER 6 17.327 -2.159 -3.552 48 2HB SER 6 HB2 SER 6 17.714 -1.587 -5.148 49 HG SER 6 HG SER 6 17.446 -0.140 -2.719 50 H CYS 7 HN CYS 7 16.261 1.205 -4.384 51 HA CYS 7 HA CYS 7 15.986 1.842 -7.295 52 1HB CYS 7 HB1 CYS 7 14.022 2.771 -6.051 53 2HB CYS 7 HB2 CYS 7 15.117 3.570 -4.946 54 H VAL 8 HN VAL 8 18.309 1.031 -6.288 55 HA VAL 8 HA VAL 8 19.865 3.595 -6.203 56 HB VAL 8 HB VAL 8 20.518 1.045 -4.695 57 1HG1 VAL 8 HG1 VAL 8 22.188 2.420 -3.518 58 2HG1 VAL 8 HG1 VAL 8 22.503 2.381 -5.275 59 3HG1 VAL 8 HG1 VAL 8 21.731 3.819 -4.541 60 1HG2 VAL 8 HG2 VAL 8 19.966 2.254 -2.642 61 2HG2 VAL 8 HG2 VAL 8 19.378 3.619 -3.645 62 3HG2 VAL 8 HG2 VAL 8 18.572 2.025 -3.730 63 H TRP 9 HN TRP 9 21.129 3.765 -7.858 64 HA TRP 9 HA TRP 9 21.599 1.607 -9.743 65 1HB TRP 9 HB1 TRP 9 21.755 4.506 -9.806 66 2HB TRP 9 HB2 TRP 9 23.357 3.935 -10.186 67 HD1 TRP 9 HD1 TRP 9 20.710 5.179 -12.060 68 HE1 TRP 9 HE1 TRP 9 20.481 3.961 -14.252 69 HE3 TRP 9 HE3 TRP 9 23.399 0.985 -11.137 70 HZ2 TRP 9 HZ2 TRP 9 21.271 1.556 -15.559 71 HZ3 TRP 9 HZ3 TRP 9 23.653 -0.758 -12.859 72 HH2 TRP 9 HH2 TRP 9 22.586 -0.476 -15.079 73 H GLY 10 HN GLY 10 22.716 0.084 -8.653 74 1HA GLY 10 HA1 GLY 10 25.233 -0.564 -8.700 75 2HA GLY 10 HA2 GLY 10 25.426 0.785 -7.582 76 H ALA 11 HN ALA 11 22.517 -0.300 -6.759 77 HA ALA 11 HA ALA 11 23.637 -1.987 -4.597 78 1HB ALA 11 HB1 ALA 11 22.166 -0.077 -4.010 79 2HB ALA 11 HB2 ALA 11 20.867 -0.847 -4.994 80 3HB ALA 11 HB3 ALA 11 21.441 -1.628 -3.502 81 H VAL 12 HN VAL 12 21.881 -3.626 -3.886 82 HA VAL 12 HA VAL 12 21.631 -5.547 -6.071 83 HB VAL 12 HB VAL 12 20.486 -5.918 -3.308 84 1HG1 VAL 12 HG1 VAL 12 21.833 -7.863 -5.167 85 2HG1 VAL 12 HG1 VAL 12 21.241 -8.235 -3.519 86 3HG1 VAL 12 HG1 VAL 12 20.081 -7.772 -4.781 87 1HG2 VAL 12 HG2 VAL 12 22.725 -5.021 -2.875 88 2HG2 VAL 12 HG2 VAL 12 22.683 -6.759 -2.495 89 3HG2 VAL 12 HG2 VAL 12 23.417 -6.199 -4.032 90 H ASN 13 HN ASN 13 19.563 -6.753 -6.190 91 HA ASN 13 HA ASN 13 17.436 -6.637 -7.198 92 1HB ASN 13 HB1 ASN 13 15.679 -5.728 -5.481 93 2HB ASN 13 HB2 ASN 13 16.434 -7.176 -4.997 94 1HD2 ASN 13 HD2 ASN 13 18.143 -6.929 -3.223 95 2HD2 ASN 13 HD2 ASN 13 18.079 -5.523 -2.259 96 H TYR 14 HN TYR 14 19.188 -4.470 -7.730 97 HA TYR 14 HA TYR 14 17.999 -1.938 -7.532 98 1HB TYR 14 HB1 TYR 14 20.312 -2.176 -8.282 99 2HB TYR 14 HB2 TYR 14 19.815 -3.170 -9.649 100 HD1 TYR 14 HD1 TYR 14 18.526 0.114 -8.323 101 HD2 TYR 14 HD2 TYR 14 20.204 -2.006 -11.603 102 HE1 TYR 14 HE1 TYR 14 18.277 2.096 -9.729 103 HE2 TYR 14 HE2 TYR 14 19.966 -0.022 -13.008 104 HH TYR 14 HH TYR 14 19.853 2.625 -12.338 105 H THR 15 HN THR 15 16.420 -0.885 -8.608 106 HA THR 15 HA THR 15 14.667 -2.491 -10.277 107 HB THR 15 HB THR 15 14.512 0.221 -8.915 108 HG1 THR 15 HG1 THR 15 13.113 -2.255 -8.627 109 1HG2 THR 15 HG2 THR 15 12.173 0.298 -9.392 110 2HG2 THR 15 HG2 THR 15 13.045 0.279 -10.958 111 3HG2 THR 15 HG2 THR 15 12.252 -1.206 -10.354 112 H SER 16 HN SER 16 15.700 0.885 -10.685 113 HA SER 16 HA SER 16 16.748 1.917 -12.504 114 1HB SER 16 HB1 SER 16 17.487 -0.682 -13.235 115 2HB SER 16 HB2 SER 16 16.282 -0.347 -14.484 116 HG SER 16 HG SER 16 18.255 1.514 -13.690 117 H ASP 17 HN ASP 17 13.958 -0.102 -12.940 118 HA ASP 17 HA ASP 17 12.594 2.173 -14.259 119 1HB ASP 17 HB1 ASP 17 11.606 0.531 -15.889 120 2HB ASP 17 HB2 ASP 17 13.344 0.722 -16.008 121 H CYS 18 HN CYS 18 11.937 2.339 -11.977 122 HA CYS 18 HA CYS 18 10.446 0.503 -10.517 123 1HB CYS 18 HB1 CYS 18 11.241 3.101 -10.313 124 2HB CYS 18 HB2 CYS 18 9.557 3.397 -10.570 125 H ASN 19 HN ASN 19 9.033 2.956 -12.661 126 HA ASN 19 HA ASN 19 6.440 1.957 -12.735 127 1HB ASN 19 HB1 ASN 19 7.617 4.012 -14.057 128 2HB ASN 19 HB2 ASN 19 7.572 2.867 -15.381 129 1HD2 ASN 19 HD2 ASN 19 5.094 1.478 -14.876 130 2HD2 ASN 19 HD2 ASN 19 3.837 2.614 -14.973 131 H GLY 20 HN GLY 20 9.280 0.757 -14.202 132 1HA GLY 20 HA1 GLY 20 7.980 -1.056 -16.080 133 2HA GLY 20 HA2 GLY 20 9.679 -1.077 -15.627 134 H GLU 21 HN GLU 21 10.009 -1.774 -13.321 135 HA GLU 21 HA GLU 21 9.304 -4.451 -12.952 136 1HB GLU 21 HB1 GLU 21 11.041 -2.835 -11.644 137 2HB GLU 21 HB2 GLU 21 9.703 -2.695 -10.533 138 1HG GLU 21 HG1 GLU 21 9.613 -5.012 -10.034 139 2HG GLU 21 HG2 GLU 21 10.719 -5.411 -11.364 140 H CYS 22 HN CYS 22 7.617 -1.603 -12.024 141 HA CYS 22 HA CYS 22 5.645 -2.884 -10.356 142 1HB CYS 22 HB1 CYS 22 6.006 -0.165 -11.559 143 2HB CYS 22 HB2 CYS 22 4.447 -0.576 -10.984 144 H LEU 23 HN LEU 23 5.816 -1.698 -13.721 145 HA LEU 23 HA LEU 23 3.156 -2.357 -14.425 146 1HB LEU 23 HB1 LEU 23 5.755 -1.775 -15.815 147 2HB LEU 23 HB2 LEU 23 4.548 -2.572 -16.747 148 HG LEU 23 HG LEU 23 3.981 -0.009 -15.194 149 1HD1 LEU 23 HD1 LEU 23 4.723 -0.378 -18.126 150 2HD1 LEU 23 HD1 LEU 23 4.274 1.172 -17.348 151 3HD1 LEU 23 HD1 LEU 23 5.784 0.344 -16.880 152 1HD2 LEU 23 HD2 LEU 23 2.007 -1.307 -15.842 153 2HD2 LEU 23 HD2 LEU 23 2.112 0.206 -16.779 154 3HD2 LEU 23 HD2 LEU 23 2.593 -1.347 -17.533 155 H LEU 24 HN LEU 24 6.129 -4.102 -14.178 156 HA LEU 24 HA LEU 24 5.424 -6.435 -15.641 157 1HB LEU 24 HB1 LEU 24 7.520 -5.410 -13.919 158 2HB LEU 24 HB2 LEU 24 7.161 -7.023 -13.424 159 HG LEU 24 HG LEU 24 7.792 -6.088 -16.264 160 1HD1 LEU 24 HD1 LEU 24 9.713 -5.809 -14.778 161 2HD1 LEU 24 HD1 LEU 24 9.550 -7.510 -14.234 162 3HD1 LEU 24 HD1 LEU 24 9.989 -7.145 -15.927 163 1HD2 LEU 24 HD2 LEU 24 8.153 -8.480 -16.764 164 2HD2 LEU 24 HD2 LEU 24 7.692 -8.894 -15.084 165 3HD2 LEU 24 HD2 LEU 24 6.487 -8.181 -16.199 166 H ARG 25 HN ARG 25 4.816 -5.379 -12.537 167 HA ARG 25 HA ARG 25 3.477 -7.855 -11.597 168 1HB ARG 25 HB1 ARG 25 4.179 -5.241 -10.280 169 2HB ARG 25 HB2 ARG 25 2.844 -6.133 -9.622 170 1HG ARG 25 HG1 ARG 25 4.377 -7.080 -8.255 171 2HG ARG 25 HG2 ARG 25 4.731 -8.122 -9.607 172 1HD ARG 25 HD1 ARG 25 6.165 -5.447 -9.193 173 2HD ARG 25 HD2 ARG 25 6.773 -6.931 -8.483 174 HE ARG 25 HE ARG 25 6.275 -6.605 -11.424 175 1HH1 ARG 25 HH1 ARG 25 9.786 -7.301 -11.251 176 2HH1 ARG 25 HH1 ARG 25 8.740 -5.920 -11.407 177 1HH2 ARG 25 HH2 ARG 25 8.683 -9.326 -10.269 178 2HH2 ARG 25 HH2 ARG 25 7.018 -9.105 -9.885 179 H GLY 26 HN GLY 26 2.604 -5.285 -13.442 180 1HA GLY 26 HA1 GLY 26 0.455 -4.837 -14.338 181 2HA GLY 26 HA2 GLY 26 -0.255 -5.881 -13.108 182 H TYR 27 HN TYR 27 1.982 -3.700 -11.854 183 HA TYR 27 HA TYR 27 -0.146 -2.224 -10.507 184 1HB TYR 27 HB1 TYR 27 2.879 -1.927 -10.391 185 2HB TYR 27 HB2 TYR 27 1.787 -1.083 -9.326 186 HD1 TYR 27 HD1 TYR 27 -0.158 -3.449 -8.793 187 HD2 TYR 27 HD2 TYR 27 4.092 -3.185 -8.807 188 HE1 TYR 27 HE1 TYR 27 -0.046 -5.267 -7.227 189 HE2 TYR 27 HE2 TYR 27 4.216 -5.006 -7.213 190 HH TYR 27 HH TYR 27 2.126 -7.119 -6.719 191 H LYS 28 HN LYS 28 -0.040 0.099 -10.326 192 HA LYS 28 HA LYS 28 0.112 1.256 -13.012 193 1HB LYS 28 HB1 LYS 28 -0.799 2.458 -10.357 194 2HB LYS 28 HB2 LYS 28 -1.042 3.185 -11.928 195 1HG LYS 28 HG1 LYS 28 -2.995 2.010 -12.167 196 2HG LYS 28 HG2 LYS 28 -2.044 0.552 -12.277 197 1HD LYS 28 HD1 LYS 28 -3.702 0.200 -10.625 198 2HD LYS 28 HD2 LYS 28 -2.142 0.255 -9.830 199 1HE LYS 28 HE1 LYS 28 -2.542 2.456 -8.903 200 2HE LYS 28 HE2 LYS 28 -3.883 2.754 -9.995 201 1HZ LYS 28 HZ1 LYS 28 -3.945 1.594 -7.455 202 2HZ LYS 28 HZ2 LYS 28 -5.214 1.933 -8.465 203 3HZ LYS 28 HZ3 LYS 28 -4.479 0.408 -8.544 204 H GLY 29 HN GLY 29 0.923 3.486 -13.156 205 1HA GLY 29 HA1 GLY 29 3.590 3.786 -13.136 206 2HA GLY 29 HA2 GLY 29 2.569 5.157 -12.731 207 H GLY 30 HN GLY 30 4.830 2.861 -11.548 208 1HA GLY 30 HA1 GLY 30 4.309 3.401 -8.732 209 2HA GLY 30 HA2 GLY 30 5.651 2.446 -9.393 210 H HIS 31 HN HIS 31 6.835 3.650 -7.688 211 HA HIS 31 HA HIS 31 8.242 5.843 -8.902 212 1HB HIS 31 HB1 HIS 31 7.674 7.557 -7.191 213 2HB HIS 31 HB2 HIS 31 6.156 6.968 -7.836 214 HD1 HIS 31 HD1 HIS 31 5.266 4.763 -6.347 215 HD2 HIS 31 HD2 HIS 31 7.892 7.285 -4.413 216 HE1 HIS 31 HE1 HIS 31 5.049 4.230 -3.908 217 HE2 HIS 31 HE2 HIS 31 6.660 5.814 -2.809 218 H CYS 32 HN CYS 32 9.839 6.753 -7.254 219 HA CYS 32 HA CYS 32 10.956 4.465 -5.731 220 1HB CYS 32 HB1 CYS 32 12.181 6.978 -6.875 221 2HB CYS 32 HB2 CYS 32 13.002 6.068 -5.637 222 H GLY 33 HN GLY 33 11.557 4.745 -3.637 223 1HA GLY 33 HA1 GLY 33 10.651 5.378 -1.477 224 2HA GLY 33 HA2 GLY 33 11.821 6.652 -1.880 225 H SER 34 HN SER 34 11.093 8.517 -1.352 226 HA SER 34 HA SER 34 8.555 9.448 -2.411 227 1HB SER 34 HB1 SER 34 7.873 8.246 -0.270 228 2HB SER 34 HB2 SER 34 8.918 9.340 0.648 229 HG SER 34 HG SER 34 7.384 10.791 -1.039 230 H PHE 35 HN PHE 35 11.226 10.103 -0.134 231 HA PHE 35 HA PHE 35 12.091 12.409 -1.513 232 1HB PHE 35 HB1 PHE 35 9.897 13.092 -0.234 233 2HB PHE 35 HB2 PHE 35 10.859 12.983 1.218 234 HD1 PHE 35 HD1 PHE 35 10.657 14.715 -2.064 235 HD2 PHE 35 HD2 PHE 35 12.427 14.710 1.810 236 HE1 PHE 35 HE1 PHE 35 11.581 16.952 -2.485 237 HE2 PHE 35 HE2 PHE 35 13.350 16.946 1.389 238 HZ PHE 35 HZ PHE 35 12.932 18.074 -0.758 239 H ALA 36 HN ALA 36 13.897 11.230 -1.332 240 HA ALA 36 HA ALA 36 16.096 11.069 -0.549 241 1HB ALA 36 HB1 ALA 36 16.745 11.700 1.676 242 2HB ALA 36 HB2 ALA 36 15.756 13.016 0.965 243 3HB ALA 36 HB3 ALA 36 15.060 11.908 2.194 244 H ASN 37 HN ASN 37 14.686 8.993 -0.935 245 HA ASN 37 HA ASN 37 14.910 7.261 1.411 246 1HB ASN 37 HB1 ASN 37 12.683 7.502 0.088 247 2HB ASN 37 HB2 ASN 37 13.559 6.599 -1.172 248 1HD2 ASN 37 HD2 ASN 37 12.535 4.489 -1.047 249 2HD2 ASN 37 HD2 ASN 37 12.461 3.648 0.437 250 H VAL 38 HN VAL 38 14.933 4.854 -0.262 251 HA VAL 38 HA VAL 38 17.171 4.915 -2.051 252 HB VAL 38 HB VAL 38 18.549 3.279 -0.612 253 1HG1 VAL 38 HG1 VAL 38 19.298 5.624 -0.863 254 2HG1 VAL 38 HG1 VAL 38 18.394 6.049 0.629 255 3HG1 VAL 38 HG1 VAL 38 19.745 4.903 0.715 256 1HG2 VAL 38 HG2 VAL 38 18.301 3.402 1.829 257 2HG2 VAL 38 HG2 VAL 38 16.843 4.411 1.617 258 3HG2 VAL 38 HG2 VAL 38 16.870 2.718 1.018 259 H ASN 39 HN ASN 39 14.423 3.998 -2.073 260 HA ASN 39 HA ASN 39 14.848 1.265 -2.928 261 1HB ASN 39 HB1 ASN 39 12.939 2.016 -0.679 262 2HB ASN 39 HB2 ASN 39 12.782 0.587 -1.594 263 1HD2 ASN 39 HD2 ASN 39 14.452 2.050 1.035 264 2HD2 ASN 39 HD2 ASN 39 15.606 0.814 1.231 265 H CYS 40 HN CYS 40 12.658 0.386 -3.812 266 HA CYS 40 HA CYS 40 11.223 2.655 -5.086 267 1HB CYS 40 HB1 CYS 40 12.810 0.578 -6.288 268 2HB CYS 40 HB2 CYS 40 11.162 0.245 -6.645 269 H TRP 41 HN TRP 41 9.001 2.416 -5.353 270 HA TRP 41 HA TRP 41 7.708 0.018 -4.283 271 1HB TRP 41 HB1 TRP 41 7.094 2.807 -3.170 272 2HB TRP 41 HB2 TRP 41 6.211 1.349 -2.836 273 HD1 TRP 41 HD1 TRP 41 9.893 2.670 -2.398 274 HE1 TRP 41 HE1 TRP 41 10.694 1.599 -0.275 275 HE3 TRP 41 HE3 TRP 41 5.924 -0.175 -1.241 276 HZ2 TRP 41 HZ2 TRP 41 9.808 -0.212 1.791 277 HZ3 TRP 41 HZ3 TRP 41 5.865 -1.557 0.781 278 HH2 TRP 41 HH2 TRP 41 7.817 -1.585 2.321 279 H CYS 42 HN CYS 42 5.404 0.021 -4.778 280 HA CYS 42 HA CYS 42 4.996 1.511 -7.314 281 1HB CYS 42 HB1 CYS 42 3.471 -0.798 -6.094 282 2HB CYS 42 HB2 CYS 42 3.039 -0.032 -7.607 283 H GLU 43 HN GLU 43 2.397 1.846 -7.476 284 HA GLU 43 HA GLU 43 1.461 3.304 -5.094 285 1HB GLU 43 HB1 GLU 43 2.461 4.548 -7.649 286 2HB GLU 43 HB2 GLU 43 0.961 5.196 -7.047 287 1HG GLU 43 HG1 GLU 43 1.894 6.010 -5.079 288 2HG GLU 43 HG2 GLU 43 3.138 4.801 -4.978 289 H THR 44 HN THR 44 0.150 1.462 -5.157 290 HA THR 44 HA THR 44 -1.875 1.232 -7.221 291 HB THR 44 HB THR 44 -2.423 -0.859 -5.786 292 HG1 THR 44 HG1 THR 44 -1.816 0.387 -3.906 293 1HG2 THR 44 HG2 THR 44 -0.371 -0.911 -7.369 294 2HG2 THR 44 HG2 THR 44 0.605 -0.351 -5.981 295 3HG2 THR 44 HG2 THR 44 -0.229 -1.934 -5.912 Start of MODEL 15 1 1H ASP 1 HT1 ASP 1 0.999 -0.877 0.445 2 2H ASP 1 HT2 ASP 1 1.379 0.684 1.003 3 3H ASP 1 HT3 ASP 1 0.130 0.483 -0.125 4 HA ASP 1 HA ASP 1 1.564 0.625 -1.828 5 1HB ASP 1 HB1 ASP 1 3.860 0.626 0.156 6 2HB ASP 1 HB2 ASP 1 3.759 1.467 -1.383 7 H LYS 2 HN LYS 2 2.841 -0.644 -3.086 8 HA LYS 2 HA LYS 2 3.566 -3.330 -2.022 9 1HB LYS 2 HB1 LYS 2 1.716 -2.618 -4.005 10 2HB LYS 2 HB2 LYS 2 3.055 -3.272 -4.921 11 1HG LYS 2 HG1 LYS 2 1.406 -4.589 -2.700 12 2HG LYS 2 HG2 LYS 2 1.443 -5.048 -4.382 13 1HD LYS 2 HD1 LYS 2 3.585 -6.016 -4.302 14 2HD LYS 2 HD2 LYS 2 4.064 -5.212 -2.837 15 1HE LYS 2 HE1 LYS 2 1.929 -7.388 -3.106 16 2HE LYS 2 HE2 LYS 2 3.524 -7.589 -2.398 17 1HZ LYS 2 HZ1 LYS 2 2.294 -5.394 -1.124 18 2HZ LYS 2 HZ2 LYS 2 1.186 -6.682 -1.115 19 3HZ LYS 2 HZ3 LYS 2 2.722 -6.891 -0.445 20 H LEU 3 HN LEU 3 5.646 -3.375 -1.867 21 HA LEU 3 HA LEU 3 7.444 -1.760 -3.441 22 1HB LEU 3 HB1 LEU 3 7.794 -2.512 -1.069 23 2HB LEU 3 HB2 LEU 3 7.985 -4.155 -1.627 24 HG LEU 3 HG LEU 3 9.859 -2.026 -2.740 25 1HD1 LEU 3 HD1 LEU 3 9.805 -1.645 -0.357 26 2HD1 LEU 3 HD1 LEU 3 10.050 -3.390 -0.027 27 3HD1 LEU 3 HD1 LEU 3 11.329 -2.420 -0.835 28 1HD2 LEU 3 HD2 LEU 3 9.975 -4.441 -3.528 29 2HD2 LEU 3 HD2 LEU 3 11.444 -3.850 -2.705 30 3HD2 LEU 3 HD2 LEU 3 10.276 -4.901 -1.835 31 H ILE 4 HN ILE 4 9.151 -2.668 -4.715 32 HA ILE 4 HA ILE 4 8.476 -5.226 -6.076 33 HB ILE 4 HB ILE 4 8.856 -4.337 -8.204 34 1HG1 ILE 4 HG1 ILE 4 9.472 -1.652 -6.931 35 2HG1 ILE 4 HG1 ILE 4 10.390 -2.514 -8.144 36 1HG2 ILE 4 HG2 ILE 4 6.633 -4.406 -7.450 37 2HG2 ILE 4 HG2 ILE 4 6.770 -2.774 -6.721 38 3HG2 ILE 4 HG2 ILE 4 6.802 -2.988 -8.502 39 1HD1 ILE 4 HD1 ILE 4 9.289 -0.680 -9.225 40 2HD1 ILE 4 HD2 ILE 4 8.455 -2.176 -9.748 41 3HD1 ILE 4 HD3 ILE 4 7.754 -1.146 -8.461 42 H GLY 5 HN GLY 5 10.871 -2.657 -5.580 43 1HA GLY 5 HA1 GLY 5 12.925 -4.549 -5.028 44 2HA GLY 5 HA2 GLY 5 13.145 -3.946 -6.651 45 H SER 6 HN SER 6 15.164 -3.045 -5.793 46 HA SER 6 HA SER 6 14.952 -0.834 -3.893 47 1HB SER 6 HB1 SER 6 17.167 -2.543 -5.027 48 2HB SER 6 HB2 SER 6 17.524 -0.933 -4.474 49 HG SER 6 HG SER 6 16.838 -3.150 -3.135 50 H CYS 7 HN CYS 7 16.101 1.130 -4.466 51 HA CYS 7 HA CYS 7 15.904 1.854 -7.368 52 1HB CYS 7 HB1 CYS 7 14.026 2.897 -6.141 53 2HB CYS 7 HB2 CYS 7 15.120 3.516 -4.925 54 H VAL 8 HN VAL 8 18.150 0.868 -6.597 55 HA VAL 8 HA VAL 8 19.963 3.197 -6.160 56 HB VAL 8 HB VAL 8 20.301 0.345 -5.161 57 1HG1 VAL 8 HG1 VAL 8 22.255 1.213 -3.924 58 2HG1 VAL 8 HG1 VAL 8 22.473 1.391 -5.686 59 3HG1 VAL 8 HG1 VAL 8 22.020 2.810 -4.690 60 1HG2 VAL 8 HG2 VAL 8 19.713 2.871 -3.665 61 2HG2 VAL 8 HG2 VAL 8 18.617 1.474 -3.915 62 3HG2 VAL 8 HG2 VAL 8 20.081 1.284 -2.919 63 H TRP 9 HN TRP 9 21.165 3.514 -7.875 64 HA TRP 9 HA TRP 9 21.314 1.571 -10.053 65 1HB TRP 9 HB1 TRP 9 21.363 4.331 -10.035 66 2HB TRP 9 HB2 TRP 9 23.086 4.020 -10.065 67 HD1 TRP 9 HD1 TRP 9 19.872 3.529 -12.163 68 HE1 TRP 9 HE1 TRP 9 20.627 2.845 -14.432 69 HE3 TRP 9 HE3 TRP 9 24.789 2.908 -11.328 70 HZ2 TRP 9 HZ2 TRP 9 23.027 2.101 -15.872 71 HZ3 TRP 9 HZ3 TRP 9 26.318 2.204 -13.133 72 HH2 TRP 9 HH2 TRP 9 25.438 1.800 -15.409 73 H GLY 10 HN GLY 10 22.202 0.036 -8.507 74 1HA GLY 10 HA1 GLY 10 24.579 -1.062 -8.930 75 2HA GLY 10 HA2 GLY 10 25.124 0.311 -7.971 76 H ALA 11 HN ALA 11 22.518 -2.095 -7.783 77 HA ALA 11 HA ALA 11 23.496 -3.140 -5.260 78 1HB ALA 11 HB1 ALA 11 21.445 -2.530 -3.982 79 2HB ALA 11 HB2 ALA 11 22.316 -1.081 -4.554 80 3HB ALA 11 HB3 ALA 11 20.856 -1.657 -5.423 81 H VAL 12 HN VAL 12 21.629 -4.584 -4.378 82 HA VAL 12 HA VAL 12 21.012 -6.496 -6.492 83 HB VAL 12 HB VAL 12 19.999 -6.635 -3.655 84 1HG1 VAL 12 HG1 VAL 12 20.415 -9.042 -3.836 85 2HG1 VAL 12 HG1 VAL 12 19.236 -8.453 -5.026 86 3HG1 VAL 12 HG1 VAL 12 20.926 -8.794 -5.533 87 1HG2 VAL 12 HG2 VAL 12 22.370 -6.051 -3.419 88 2HG2 VAL 12 HG2 VAL 12 22.108 -7.751 -2.958 89 3HG2 VAL 12 HG2 VAL 12 22.801 -7.360 -4.563 90 H ASN 13 HN ASN 13 18.771 -7.428 -6.434 91 HA ASN 13 HA ASN 13 16.609 -7.037 -7.317 92 1HB ASN 13 HB1 ASN 13 15.254 -5.665 -5.406 93 2HB ASN 13 HB2 ASN 13 15.632 -7.325 -5.160 94 1HD2 ASN 13 HD2 ASN 13 17.450 -7.761 -3.585 95 2HD2 ASN 13 HD2 ASN 13 17.951 -6.516 -2.536 96 H TYR 14 HN TYR 14 18.623 -5.180 -8.037 97 HA TYR 14 HA TYR 14 17.868 -2.499 -7.982 98 1HB TYR 14 HB1 TYR 14 20.042 -3.190 -8.867 99 2HB TYR 14 HB2 TYR 14 19.290 -4.187 -10.104 100 HD1 TYR 14 HD1 TYR 14 18.909 -0.606 -9.003 101 HD2 TYR 14 HD2 TYR 14 19.575 -3.308 -12.231 102 HE1 TYR 14 HE1 TYR 14 18.989 1.274 -10.569 103 HE2 TYR 14 HE2 TYR 14 19.654 -1.424 -13.784 104 HH TYR 14 HH TYR 14 18.668 0.950 -13.805 105 H THR 15 HN THR 15 16.363 -1.272 -8.991 106 HA THR 15 HA THR 15 14.336 -2.698 -10.563 107 HB THR 15 HB THR 15 14.480 0.020 -9.206 108 HG1 THR 15 HG1 THR 15 14.156 -2.374 -8.235 109 1HG2 THR 15 HG2 THR 15 12.805 -0.007 -11.117 110 2HG2 THR 15 HG2 THR 15 12.061 -1.438 -10.337 111 3HG2 THR 15 HG2 THR 15 12.102 0.122 -9.472 112 H SER 16 HN SER 16 15.619 0.607 -10.921 113 HA SER 16 HA SER 16 16.707 1.581 -12.775 114 1HB SER 16 HB1 SER 16 17.243 -0.952 -13.653 115 2HB SER 16 HB2 SER 16 15.855 -0.649 -14.682 116 HG SER 16 HG SER 16 16.887 0.796 -15.731 117 H ASP 17 HN ASP 17 13.749 -0.199 -13.156 118 HA ASP 17 HA ASP 17 12.452 2.196 -14.331 119 1HB ASP 17 HB1 ASP 17 11.244 0.600 -15.872 120 2HB ASP 17 HB2 ASP 17 12.963 0.836 -16.149 121 H CYS 18 HN CYS 18 11.907 2.321 -12.023 122 HA CYS 18 HA CYS 18 10.366 0.517 -10.565 123 1HB CYS 18 HB1 CYS 18 11.265 2.908 -10.029 124 2HB CYS 18 HB2 CYS 18 9.775 3.519 -10.697 125 H ASN 19 HN ASN 19 9.018 2.949 -12.757 126 HA ASN 19 HA ASN 19 6.370 2.014 -12.756 127 1HB ASN 19 HB1 ASN 19 7.364 4.067 -14.010 128 2HB ASN 19 HB2 ASN 19 7.664 2.955 -15.336 129 1HD2 ASN 19 HD2 ASN 19 5.580 1.375 -15.691 130 2HD2 ASN 19 HD2 ASN 19 4.108 2.221 -15.720 131 H GLY 20 HN GLY 20 9.147 0.906 -14.491 132 1HA GLY 20 HA1 GLY 20 7.820 -0.961 -16.255 133 2HA GLY 20 HA2 GLY 20 9.531 -0.989 -15.848 134 H GLU 21 HN GLU 21 9.948 -1.740 -13.605 135 HA GLU 21 HA GLU 21 9.238 -4.392 -13.156 136 1HB GLU 21 HB1 GLU 21 11.001 -3.182 -12.080 137 2HB GLU 21 HB2 GLU 21 9.908 -2.218 -11.169 138 1HG GLU 21 HG1 GLU 21 10.679 -4.055 -9.649 139 2HG GLU 21 HG2 GLU 21 8.968 -4.189 -10.051 140 H CYS 22 HN CYS 22 7.610 -1.570 -12.181 141 HA CYS 22 HA CYS 22 5.610 -2.814 -10.497 142 1HB CYS 22 HB1 CYS 22 5.938 -0.115 -11.759 143 2HB CYS 22 HB2 CYS 22 4.391 -0.551 -11.185 144 H LEU 23 HN LEU 23 5.728 -1.673 -13.866 145 HA LEU 23 HA LEU 23 3.060 -2.341 -14.527 146 1HB LEU 23 HB1 LEU 23 5.638 -1.793 -15.965 147 2HB LEU 23 HB2 LEU 23 4.408 -2.584 -16.864 148 HG LEU 23 HG LEU 23 4.012 0.051 -15.393 149 1HD1 LEU 23 HD1 LEU 23 5.697 0.191 -17.237 150 2HD1 LEU 23 HD1 LEU 23 4.508 -0.537 -18.351 151 3HD1 LEU 23 HD1 LEU 23 4.203 1.084 -17.658 152 1HD2 LEU 23 HD2 LEU 23 1.924 -1.156 -15.821 153 2HD2 LEU 23 HD2 LEU 23 2.042 0.298 -16.846 154 3HD2 LEU 23 HD2 LEU 23 2.377 -1.320 -17.543 155 H LEU 24 HN LEU 24 6.038 -4.072 -14.302 156 HA LEU 24 HA LEU 24 5.308 -6.411 -15.766 157 1HB LEU 24 HB1 LEU 24 7.450 -5.394 -14.049 158 2HB LEU 24 HB2 LEU 24 7.130 -7.023 -13.652 159 HG LEU 24 HG LEU 24 7.725 -5.907 -16.460 160 1HD1 LEU 24 HD1 LEU 24 9.507 -7.403 -14.504 161 2HD1 LEU 24 HD1 LEU 24 9.941 -6.946 -16.183 162 3HD1 LEU 24 HD1 LEU 24 9.635 -5.683 -14.960 163 1HD2 LEU 24 HD2 LEU 24 8.125 -8.224 -17.137 164 2HD2 LEU 24 HD2 LEU 24 7.675 -8.786 -15.498 165 3HD2 LEU 24 HD2 LEU 24 6.455 -8.004 -16.549 166 H ARG 25 HN ARG 25 4.762 -5.337 -12.638 167 HA ARG 25 HA ARG 25 3.378 -7.831 -11.786 168 1HB ARG 25 HB1 ARG 25 4.471 -5.425 -10.307 169 2HB ARG 25 HB2 ARG 25 3.275 -6.327 -9.474 170 1HG ARG 25 HG1 ARG 25 5.041 -7.307 -8.703 171 2HG ARG 25 HG2 ARG 25 4.583 -8.416 -9.992 172 1HD ARG 25 HD1 ARG 25 6.377 -7.655 -11.395 173 2HD ARG 25 HD2 ARG 25 6.281 -6.083 -10.690 174 HE ARG 25 HE ARG 25 8.037 -6.709 -9.606 175 1HH1 ARG 25 HH1 ARG 25 7.930 -8.897 -6.840 176 2HH1 ARG 25 HH1 ARG 25 8.234 -7.258 -7.304 177 1HH2 ARG 25 HH2 ARG 25 6.948 -10.342 -8.569 178 2HH2 ARG 25 HH2 ARG 25 6.602 -9.527 -10.056 179 H GLY 26 HN GLY 26 2.517 -5.372 -13.542 180 1HA GLY 26 HA1 GLY 26 0.426 -4.508 -14.168 181 2HA GLY 26 HA2 GLY 26 -0.304 -5.723 -13.119 182 H TYR 27 HN TYR 27 2.026 -3.672 -11.714 183 HA TYR 27 HA TYR 27 -0.020 -2.472 -9.998 184 1HB TYR 27 HB1 TYR 27 3.039 -2.407 -10.038 185 2HB TYR 27 HB2 TYR 27 2.100 -1.513 -8.875 186 HD1 TYR 27 HD1 TYR 27 3.927 -3.230 -7.699 187 HD2 TYR 27 HD2 TYR 27 0.124 -4.392 -9.230 188 HE1 TYR 27 HE1 TYR 27 3.916 -5.123 -6.217 189 HE2 TYR 27 HE2 TYR 27 0.108 -6.282 -7.745 190 HH TYR 27 HH TYR 27 1.936 -7.720 -6.466 191 H LYS 28 HN LYS 28 0.348 -0.134 -9.429 192 HA LYS 28 HA LYS 28 0.049 1.364 -11.920 193 1HB LYS 28 HB1 LYS 28 -0.101 2.399 -9.053 194 2HB LYS 28 HB2 LYS 28 -0.698 3.205 -10.472 195 1HG LYS 28 HG1 LYS 28 -2.713 2.287 -9.904 196 2HG LYS 28 HG2 LYS 28 -2.096 0.865 -10.714 197 1HD LYS 28 HD1 LYS 28 -2.227 -0.354 -8.816 198 2HD LYS 28 HD2 LYS 28 -1.125 0.748 -8.004 199 1HE LYS 28 HE1 LYS 28 -2.955 2.230 -7.331 200 2HE LYS 28 HE2 LYS 28 -4.120 1.324 -8.280 201 1HZ LYS 28 HZ1 LYS 28 -3.377 0.948 -5.637 202 2HZ LYS 28 HZ2 LYS 28 -4.452 0.004 -6.524 203 3HZ LYS 28 HZ3 LYS 28 -2.814 -0.427 -6.448 204 H GLY 29 HN GLY 29 1.229 3.113 -12.469 205 1HA GLY 29 HA1 GLY 29 3.881 3.125 -12.660 206 2HA GLY 29 HA2 GLY 29 3.034 4.653 -12.446 207 H GLY 30 HN GLY 30 5.129 2.345 -11.021 208 1HA GLY 30 HA1 GLY 30 4.919 3.309 -8.301 209 2HA GLY 30 HA2 GLY 30 6.188 2.255 -8.937 210 H HIS 31 HN HIS 31 7.241 3.726 -7.387 211 HA HIS 31 HA HIS 31 8.867 5.611 -8.895 212 1HB HIS 31 HB1 HIS 31 8.330 7.631 -7.462 213 2HB HIS 31 HB2 HIS 31 6.931 7.099 -8.371 214 HD1 HIS 31 HD1 HIS 31 4.895 6.551 -6.940 215 HD2 HIS 31 HD2 HIS 31 8.277 6.610 -4.546 216 HE1 HIS 31 HE1 HIS 31 4.115 6.271 -4.635 217 HE2 HIS 31 HE2 HIS 31 6.168 6.316 -3.233 218 H CYS 32 HN CYS 32 10.395 6.809 -7.329 219 HA CYS 32 HA CYS 32 11.448 4.736 -5.512 220 1HB CYS 32 HB1 CYS 32 12.578 7.349 -6.562 221 2HB CYS 32 HB2 CYS 32 13.411 6.303 -5.444 222 H GLY 33 HN GLY 33 11.928 5.173 -3.352 223 1HA GLY 33 HA1 GLY 33 10.242 5.990 -1.553 224 2HA GLY 33 HA2 GLY 33 11.903 6.525 -1.363 225 H SER 34 HN SER 34 12.448 8.654 -1.832 226 HA SER 34 HA SER 34 10.592 10.515 -2.996 227 1HB SER 34 HB1 SER 34 9.553 10.124 -0.652 228 2HB SER 34 HB2 SER 34 10.998 10.849 0.054 229 HG SER 34 HG SER 34 9.762 12.614 -0.345 230 H PHE 35 HN PHE 35 12.944 10.802 -0.368 231 HA PHE 35 HA PHE 35 14.746 12.310 -2.226 232 1HB PHE 35 HB1 PHE 35 13.263 13.510 -0.255 233 2HB PHE 35 HB2 PHE 35 14.669 13.065 0.687 234 HD1 PHE 35 HD1 PHE 35 17.024 13.788 -0.301 235 HD2 PHE 35 HD2 PHE 35 13.300 15.448 -1.555 236 HE1 PHE 35 HE1 PHE 35 18.189 15.738 -1.189 237 HE2 PHE 35 HE2 PHE 35 14.476 17.404 -2.441 238 HZ PHE 35 HZ PHE 35 16.923 17.564 -2.264 239 H ALA 36 HN ALA 36 14.906 9.569 -1.702 240 HA ALA 36 HA ALA 36 17.587 9.369 -0.913 241 1HB ALA 36 HB1 ALA 36 16.533 9.474 1.333 242 2HB ALA 36 HB2 ALA 36 15.454 8.119 0.866 243 3HB ALA 36 HB3 ALA 36 17.208 7.846 1.032 244 H ASN 37 HN ASN 37 16.731 8.777 -3.246 245 HA ASN 37 HA ASN 37 15.483 6.503 -4.022 246 1HB ASN 37 HB1 ASN 37 17.387 6.339 -5.774 247 2HB ASN 37 HB2 ASN 37 16.406 7.773 -5.823 248 1HD2 ASN 37 HD2 ASN 37 17.635 9.688 -5.970 249 2HD2 ASN 37 HD2 ASN 37 19.262 9.803 -5.494 250 H VAL 38 HN VAL 38 15.553 4.923 -2.561 251 HA VAL 38 HA VAL 38 17.978 3.213 -2.530 252 HB VAL 38 HB VAL 38 17.530 2.571 -0.153 253 1HG1 VAL 38 HG1 VAL 38 18.213 5.474 -0.608 254 2HG1 VAL 38 HG1 VAL 38 18.513 4.558 0.900 255 3HG1 VAL 38 HG1 VAL 38 19.293 4.061 -0.636 256 1HG2 VAL 38 HG2 VAL 38 16.299 4.020 1.357 257 2HG2 VAL 38 HG2 VAL 38 15.596 4.889 -0.040 258 3HG2 VAL 38 HG2 VAL 38 15.256 3.153 0.197 259 H ASN 39 HN ASN 39 14.524 3.391 -1.717 260 HA ASN 39 HA ASN 39 14.205 0.640 -2.777 261 1HB ASN 39 HB1 ASN 39 12.667 1.904 -0.459 262 2HB ASN 39 HB2 ASN 39 12.263 0.425 -1.252 263 1HD2 ASN 39 HD2 ASN 39 12.960 -1.342 -0.027 264 2HD2 ASN 39 HD2 ASN 39 14.406 -1.361 0.862 265 H CYS 40 HN CYS 40 12.599 0.361 -4.274 266 HA CYS 40 HA CYS 40 11.012 2.769 -4.975 267 1HB CYS 40 HB1 CYS 40 12.095 2.135 -6.946 268 2HB CYS 40 HB2 CYS 40 12.173 0.464 -6.509 269 H TRP 41 HN TRP 41 8.899 2.621 -5.040 270 HA TRP 41 HA TRP 41 7.604 0.045 -4.253 271 1HB TRP 41 HB1 TRP 41 6.924 2.792 -3.125 272 2HB TRP 41 HB2 TRP 41 5.935 1.362 -2.938 273 HD1 TRP 41 HD1 TRP 41 9.631 2.429 -2.094 274 HE1 TRP 41 HE1 TRP 41 10.146 1.269 0.052 275 HE3 TRP 41 HE3 TRP 41 5.397 -0.169 -1.503 276 HZ2 TRP 41 HZ2 TRP 41 8.911 -0.626 1.941 277 HZ3 TRP 41 HZ3 TRP 41 5.035 -1.656 0.434 278 HH2 TRP 41 HH2 TRP 41 6.792 -1.885 2.158 279 H CYS 42 HN CYS 42 5.269 -0.021 -4.839 280 HA CYS 42 HA CYS 42 4.969 1.428 -7.380 281 1HB CYS 42 HB1 CYS 42 3.510 -0.941 -6.227 282 2HB CYS 42 HB2 CYS 42 3.022 -0.114 -7.707 283 H GLU 43 HN GLU 43 2.629 2.077 -7.834 284 HA GLU 43 HA GLU 43 1.811 3.705 -5.486 285 1HB GLU 43 HB1 GLU 43 1.538 4.156 -8.487 286 2HB GLU 43 HB2 GLU 43 0.640 5.112 -7.317 287 1HG GLU 43 HG1 GLU 43 3.013 5.267 -6.081 288 2HG GLU 43 HG2 GLU 43 3.659 4.891 -7.665 289 H THR 44 HN THR 44 1.181 1.563 -4.925 290 HA THR 44 HA THR 44 -1.462 0.840 -5.855 291 HB THR 44 HB THR 44 -1.084 -1.110 -4.152 292 HG1 THR 44 HG1 THR 44 0.383 0.748 -3.318 293 1HG2 THR 44 HG2 THR 44 0.749 -2.048 -5.511 294 2HG2 THR 44 HG2 THR 44 -0.224 -1.064 -6.612 295 3HG2 THR 44 HG2 THR 44 1.301 -0.392 -5.953 Start of MODEL 16 1 1H ASP 1 HT1 ASP 1 0.522 0.805 -0.138 2 2H ASP 1 HT2 ASP 1 1.655 -0.398 0.340 3 3H ASP 1 HT3 ASP 1 2.029 1.292 0.413 4 HA ASP 1 HA ASP 1 1.320 0.747 -2.199 5 1HB ASP 1 HB1 ASP 1 4.104 1.167 -0.929 6 2HB ASP 1 HB2 ASP 1 3.711 1.387 -2.628 7 H LYS 2 HN LYS 2 2.793 -0.442 -3.663 8 HA LYS 2 HA LYS 2 3.183 -3.214 -2.720 9 1HB LYS 2 HB1 LYS 2 2.067 -1.842 -5.103 10 2HB LYS 2 HB2 LYS 2 3.033 -3.219 -5.417 11 1HG LYS 2 HG1 LYS 2 0.580 -3.578 -5.262 12 2HG LYS 2 HG2 LYS 2 1.404 -4.574 -4.071 13 1HD LYS 2 HD1 LYS 2 0.806 -2.893 -2.336 14 2HD LYS 2 HD2 LYS 2 0.114 -1.837 -3.556 15 1HE LYS 2 HE1 LYS 2 -1.170 -4.350 -3.968 16 2HE LYS 2 HE2 LYS 2 -1.028 -4.247 -2.229 17 1HZ LYS 2 HZ1 LYS 2 -2.862 -2.980 -3.892 18 2HZ LYS 2 HZ2 LYS 2 -2.711 -2.786 -2.208 19 3HZ LYS 2 HZ3 LYS 2 -1.899 -1.761 -3.304 20 H LEU 3 HN LEU 3 5.288 -3.152 -2.114 21 HA LEU 3 HA LEU 3 7.404 -1.732 -3.321 22 1HB LEU 3 HB1 LEU 3 7.379 -2.972 -1.077 23 2HB LEU 3 HB2 LEU 3 7.626 -4.461 -1.956 24 HG LEU 3 HG LEU 3 9.621 -2.166 -2.362 25 1HD1 LEU 3 HD1 LEU 3 9.322 -2.369 0.049 26 2HD1 LEU 3 HD1 LEU 3 9.614 -4.126 -0.038 27 3HD1 LEU 3 HD1 LEU 3 10.920 -2.971 -0.466 28 1HD2 LEU 3 HD2 LEU 3 11.228 -3.955 -2.529 29 2HD2 LEU 3 HD2 LEU 3 9.991 -5.169 -2.046 30 3HD2 LEU 3 HD2 LEU 3 9.887 -4.358 -3.627 31 H ILE 4 HN ILE 4 9.115 -2.573 -4.570 32 HA ILE 4 HA ILE 4 8.412 -4.832 -6.383 33 HB ILE 4 HB ILE 4 9.254 -3.475 -8.364 34 1HG1 ILE 4 HG1 ILE 4 8.837 -1.026 -6.573 35 2HG1 ILE 4 HG1 ILE 4 10.427 -1.665 -6.977 36 1HG2 ILE 4 HG2 ILE 4 6.862 -2.390 -6.872 37 2HG2 ILE 4 HG2 ILE 4 7.129 -2.310 -8.641 38 3HG2 ILE 4 HG2 ILE 4 6.899 -3.889 -7.843 39 1HD1 ILE 4 HD1 ILE 4 8.367 -0.784 -9.018 40 2HD1 ILE 4 HD2 ILE 4 9.796 0.138 -8.505 41 3HD1 ILE 4 HD3 ILE 4 10.019 -1.427 -9.326 42 H GLY 5 HN GLY 5 10.905 -2.615 -5.242 43 1HA GLY 5 HA1 GLY 5 12.797 -4.613 -4.682 44 2HA GLY 5 HA2 GLY 5 13.126 -4.047 -6.324 45 H SER 6 HN SER 6 15.133 -3.059 -5.753 46 HA SER 6 HA SER 6 15.102 -0.990 -3.730 47 1HB SER 6 HB1 SER 6 17.236 -2.325 -5.394 48 2HB SER 6 HB2 SER 6 17.481 -1.224 -4.046 49 HG SER 6 HG SER 6 17.228 -3.643 -3.823 50 H CYS 7 HN CYS 7 16.824 0.782 -4.651 51 HA CYS 7 HA CYS 7 16.192 1.689 -7.366 52 1HB CYS 7 HB1 CYS 7 14.277 2.600 -6.127 53 2HB CYS 7 HB2 CYS 7 15.308 3.205 -4.855 54 H VAL 8 HN VAL 8 18.511 0.762 -5.989 55 HA VAL 8 HA VAL 8 20.190 3.207 -6.137 56 HB VAL 8 HB VAL 8 20.081 1.085 -3.955 57 1HG1 VAL 8 HG1 VAL 8 22.703 2.353 -4.780 58 2HG1 VAL 8 HG1 VAL 8 22.389 1.410 -3.289 59 3HG1 VAL 8 HG1 VAL 8 22.287 0.613 -4.876 60 1HG2 VAL 8 HG2 VAL 8 21.152 3.942 -4.125 61 2HG2 VAL 8 HG2 VAL 8 19.470 3.522 -3.758 62 3HG2 VAL 8 HG2 VAL 8 20.780 3.052 -2.617 63 H TRP 9 HN TRP 9 21.685 3.103 -7.569 64 HA TRP 9 HA TRP 9 22.066 0.661 -9.132 65 1HB TRP 9 HB1 TRP 9 22.327 3.395 -9.826 66 2HB TRP 9 HB2 TRP 9 24.013 2.917 -9.660 67 HD1 TRP 9 HD1 TRP 9 20.858 2.254 -11.728 68 HE1 TRP 9 HE1 TRP 9 21.503 0.711 -13.585 69 HE3 TRP 9 HE3 TRP 9 25.596 1.179 -10.416 70 HZ2 TRP 9 HZ2 TRP 9 23.750 -0.785 -14.558 71 HZ3 TRP 9 HZ3 TRP 9 27.001 -0.308 -11.804 72 HH2 TRP 9 HH2 TRP 9 26.078 -1.292 -13.885 73 H GLY 10 HN GLY 10 22.662 -0.217 -6.939 74 1HA GLY 10 HA1 GLY 10 25.207 -1.260 -6.878 75 2HA GLY 10 HA2 GLY 10 25.358 0.224 -5.945 76 H ALA 11 HN ALA 11 22.667 -2.068 -6.146 77 HA ALA 11 HA ALA 11 23.151 -3.099 -3.468 78 1HB ALA 11 HB1 ALA 11 21.950 -0.999 -3.059 79 2HB ALA 11 HB2 ALA 11 20.678 -1.498 -4.216 80 3HB ALA 11 HB3 ALA 11 20.886 -2.386 -2.679 81 H VAL 12 HN VAL 12 21.115 -4.474 -2.928 82 HA VAL 12 HA VAL 12 20.890 -6.464 -5.042 83 HB VAL 12 HB VAL 12 19.197 -6.548 -2.548 84 1HG1 VAL 12 HG1 VAL 12 20.764 -8.671 -3.997 85 2HG1 VAL 12 HG1 VAL 12 19.754 -8.917 -2.540 86 3HG1 VAL 12 HG1 VAL 12 18.986 -8.407 -4.055 87 1HG2 VAL 12 HG2 VAL 12 21.044 -7.507 -1.223 88 2HG2 VAL 12 HG2 VAL 12 22.177 -7.086 -2.547 89 3HG2 VAL 12 HG2 VAL 12 21.328 -5.799 -1.634 90 H ASN 13 HN ASN 13 18.688 -7.342 -5.519 91 HA ASN 13 HA ASN 13 16.758 -6.947 -6.803 92 1HB ASN 13 HB1 ASN 13 16.118 -5.451 -4.291 93 2HB ASN 13 HB2 ASN 13 14.924 -5.908 -5.489 94 1HD2 ASN 13 HD2 ASN 13 13.758 -7.713 -4.661 95 2HD2 ASN 13 HD2 ASN 13 14.508 -9.006 -3.849 96 H TYR 14 HN TYR 14 18.963 -5.081 -7.114 97 HA TYR 14 HA TYR 14 18.256 -2.398 -7.241 98 1HB TYR 14 HB1 TYR 14 20.519 -2.694 -7.740 99 2HB TYR 14 HB2 TYR 14 20.259 -4.201 -8.573 100 HD1 TYR 14 HD1 TYR 14 19.579 -0.528 -9.058 101 HD2 TYR 14 HD2 TYR 14 20.487 -4.259 -10.897 102 HE1 TYR 14 HE1 TYR 14 19.708 0.557 -11.224 103 HE2 TYR 14 HE2 TYR 14 20.626 -3.141 -13.083 104 HH TYR 14 HH TYR 14 19.355 -0.236 -13.726 105 H THR 15 HN THR 15 17.056 -1.155 -8.566 106 HA THR 15 HA THR 15 15.731 -2.476 -10.896 107 HB THR 15 HB THR 15 14.085 -1.927 -8.929 108 HG1 THR 15 HG1 THR 15 13.394 -2.380 -11.011 109 1HG2 THR 15 HG2 THR 15 14.933 0.568 -8.774 110 2HG2 THR 15 HG2 THR 15 14.236 0.750 -10.416 111 3HG2 THR 15 HG2 THR 15 13.186 0.305 -9.044 112 H SER 16 HN SER 16 14.793 -0.788 -12.270 113 HA SER 16 HA SER 16 16.539 1.580 -12.687 114 1HB SER 16 HB1 SER 16 16.536 -0.855 -14.393 115 2HB SER 16 HB2 SER 16 16.202 0.602 -15.319 116 HG SER 16 HG SER 16 18.172 1.150 -15.059 117 H ASP 17 HN ASP 17 13.875 -0.242 -14.016 118 HA ASP 17 HA ASP 17 12.461 2.290 -14.688 119 1HB ASP 17 HB1 ASP 17 11.170 0.776 -16.244 120 2HB ASP 17 HB2 ASP 17 12.868 0.915 -16.658 121 H CYS 18 HN CYS 18 12.137 2.224 -12.294 122 HA CYS 18 HA CYS 18 10.652 0.485 -10.781 123 1HB CYS 18 HB1 CYS 18 11.544 2.818 -10.266 124 2HB CYS 18 HB2 CYS 18 10.065 3.500 -10.898 125 H ASN 19 HN ASN 19 9.208 2.949 -12.849 126 HA ASN 19 HA ASN 19 6.537 2.222 -12.781 127 1HB ASN 19 HB1 ASN 19 7.591 4.155 -14.091 128 2HB ASN 19 HB2 ASN 19 8.051 2.989 -15.325 129 1HD2 ASN 19 HD2 ASN 19 5.664 5.207 -14.644 130 2HD2 ASN 19 HD2 ASN 19 4.415 4.473 -15.531 131 H GLY 20 HN GLY 20 9.009 0.934 -14.915 132 1HA GLY 20 HA1 GLY 20 7.398 -0.996 -16.248 133 2HA GLY 20 HA2 GLY 20 9.152 -1.056 -16.139 134 H GLU 21 HN GLU 21 9.839 -1.578 -13.848 135 HA GLU 21 HA GLU 21 9.392 -4.200 -13.154 136 1HB GLU 21 HB1 GLU 21 11.094 -2.425 -12.403 137 2HB GLU 21 HB2 GLU 21 9.901 -1.789 -11.345 138 1HG GLU 21 HG1 GLU 21 11.248 -2.972 -9.852 139 2HG GLU 21 HG2 GLU 21 9.960 -4.094 -10.157 140 H CYS 22 HN CYS 22 7.556 -1.451 -12.227 141 HA CYS 22 HA CYS 22 5.755 -2.834 -10.413 142 1HB CYS 22 HB1 CYS 22 5.964 -0.102 -11.565 143 2HB CYS 22 HB2 CYS 22 4.384 -0.571 -11.096 144 H LEU 23 HN LEU 23 5.611 -1.688 -13.794 145 HA LEU 23 HA LEU 23 2.979 -2.546 -14.307 146 1HB LEU 23 HB1 LEU 23 5.461 -1.974 -15.909 147 2HB LEU 23 HB2 LEU 23 4.098 -2.672 -16.688 148 HG LEU 23 HG LEU 23 4.049 -0.043 -15.104 149 1HD1 LEU 23 HD1 LEU 23 5.473 0.106 -17.091 150 2HD1 LEU 23 HD1 LEU 23 4.142 -0.542 -18.105 151 3HD1 LEU 23 HD1 LEU 23 3.983 1.053 -17.300 152 1HD2 LEU 23 HD2 LEU 23 1.925 0.364 -16.289 153 2HD2 LEU 23 HD2 LEU 23 2.065 -1.241 -17.072 154 3HD2 LEU 23 HD2 LEU 23 1.827 -1.121 -15.304 155 H LEU 24 HN LEU 24 6.072 -4.134 -14.179 156 HA LEU 24 HA LEU 24 5.391 -6.519 -15.570 157 1HB LEU 24 HB1 LEU 24 7.545 -5.357 -13.992 158 2HB LEU 24 HB2 LEU 24 7.302 -6.986 -13.478 159 HG LEU 24 HG LEU 24 7.656 -6.077 -16.368 160 1HD1 LEU 24 HD1 LEU 24 9.668 -5.604 -15.020 161 2HD1 LEU 24 HD1 LEU 24 9.681 -7.303 -14.448 162 3HD1 LEU 24 HD1 LEU 24 9.963 -6.928 -16.174 163 1HD2 LEU 24 HD2 LEU 24 6.551 -8.270 -16.110 164 2HD2 LEU 24 HD2 LEU 24 8.192 -8.452 -16.794 165 3HD2 LEU 24 HD2 LEU 24 7.895 -8.827 -15.070 166 H ARG 25 HN ARG 25 4.984 -5.439 -12.426 167 HA ARG 25 HA ARG 25 3.812 -7.967 -11.421 168 1HB ARG 25 HB1 ARG 25 4.720 -5.339 -10.169 169 2HB ARG 25 HB2 ARG 25 3.664 -6.405 -9.259 170 1HG ARG 25 HG1 ARG 25 5.248 -8.206 -9.241 171 2HG ARG 25 HG2 ARG 25 6.156 -7.559 -10.582 172 1HD ARG 25 HD1 ARG 25 6.104 -6.079 -7.922 173 2HD ARG 25 HD2 ARG 25 7.258 -7.379 -8.148 174 HE ARG 25 HE ARG 25 7.211 -4.869 -9.763 175 1HH1 ARG 25 HH1 ARG 25 9.868 -6.469 -11.363 176 2HH1 ARG 25 HH1 ARG 25 8.162 -6.154 -11.592 177 1HH2 ARG 25 HH2 ARG 25 10.672 -6.328 -9.229 178 2HH2 ARG 25 HH2 ARG 25 9.655 -5.999 -7.878 179 H GLY 26 HN GLY 26 2.685 -5.601 -13.261 180 1HA GLY 26 HA1 GLY 26 0.468 -5.172 -13.950 181 2HA GLY 26 HA2 GLY 26 -0.107 -6.197 -12.633 182 H TYR 27 HN TYR 27 2.139 -3.907 -11.659 183 HA TYR 27 HA TYR 27 0.050 -2.384 -10.264 184 1HB TYR 27 HB1 TYR 27 3.085 -2.314 -10.107 185 2HB TYR 27 HB2 TYR 27 2.060 -1.357 -9.083 186 HD1 TYR 27 HD1 TYR 27 -0.070 -3.696 -8.624 187 HD2 TYR 27 HD2 TYR 27 4.171 -3.470 -8.347 188 HE1 TYR 27 HE1 TYR 27 -0.077 -5.467 -6.961 189 HE2 TYR 27 HE2 TYR 27 4.160 -5.240 -6.671 190 HH TYR 27 HH TYR 27 2.608 -7.151 -5.962 191 H LYS 28 HN LYS 28 0.480 -0.054 -10.041 192 HA LYS 28 HA LYS 28 0.496 1.161 -12.693 193 1HB LYS 28 HB1 LYS 28 0.104 2.316 -9.898 194 2HB LYS 28 HB2 LYS 28 -0.115 3.240 -11.359 195 1HG LYS 28 HG1 LYS 28 -2.165 2.232 -11.881 196 2HG LYS 28 HG2 LYS 28 -1.761 0.717 -11.103 197 1HD LYS 28 HD1 LYS 28 -3.507 1.930 -9.778 198 2HD LYS 28 HD2 LYS 28 -2.018 1.705 -8.896 199 1HE LYS 28 HE1 LYS 28 -1.361 4.130 -9.534 200 2HE LYS 28 HE2 LYS 28 -2.964 4.312 -10.217 201 1HZ LYS 28 HZ1 LYS 28 -3.650 4.888 -8.108 202 2HZ LYS 28 HZ2 LYS 28 -3.302 3.308 -7.608 203 3HZ LYS 28 HZ3 LYS 28 -2.109 4.416 -7.514 204 H GLY 29 HN GLY 29 1.797 2.934 -13.193 205 1HA GLY 29 HA1 GLY 29 4.487 2.779 -13.102 206 2HA GLY 29 HA2 GLY 29 3.681 4.352 -13.093 207 H GLY 30 HN GLY 30 5.412 2.034 -11.207 208 1HA GLY 30 HA1 GLY 30 4.943 3.171 -8.629 209 2HA GLY 30 HA2 GLY 30 6.277 2.096 -9.063 210 H HIS 31 HN HIS 31 7.251 3.563 -7.478 211 HA HIS 31 HA HIS 31 8.934 5.481 -8.880 212 1HB HIS 31 HB1 HIS 31 8.283 7.447 -7.433 213 2HB HIS 31 HB2 HIS 31 6.826 6.844 -8.227 214 HD1 HIS 31 HD1 HIS 31 5.489 5.019 -6.689 215 HD2 HIS 31 HD2 HIS 31 8.074 7.397 -4.496 216 HE1 HIS 31 HE1 HIS 31 4.844 4.727 -4.296 217 HE2 HIS 31 HE2 HIS 31 6.452 6.214 -3.050 218 H CYS 32 HN CYS 32 10.459 6.557 -7.269 219 HA CYS 32 HA CYS 32 11.346 4.468 -5.381 220 1HB CYS 32 HB1 CYS 32 12.655 7.039 -6.330 221 2HB CYS 32 HB2 CYS 32 13.373 5.911 -5.206 222 H GLY 33 HN GLY 33 11.666 4.958 -3.193 223 1HA GLY 33 HA1 GLY 33 9.883 5.944 -1.552 224 2HA GLY 33 HA2 GLY 33 11.547 6.372 -1.245 225 H SER 34 HN SER 34 12.280 8.416 -1.687 226 HA SER 34 HA SER 34 10.854 10.427 -3.078 227 1HB SER 34 HB1 SER 34 10.205 11.751 -0.924 228 2HB SER 34 HB2 SER 34 9.205 10.330 -1.280 229 HG SER 34 HG SER 34 9.868 10.014 0.792 230 H PHE 35 HN PHE 35 12.441 10.440 -0.016 231 HA PHE 35 HA PHE 35 14.731 12.009 -1.218 232 1HB PHE 35 HB1 PHE 35 12.958 13.014 0.605 233 2HB PHE 35 HB2 PHE 35 14.123 12.317 1.714 234 HD1 PHE 35 HD1 PHE 35 16.652 12.992 1.371 235 HD2 PHE 35 HD2 PHE 35 13.395 15.079 -0.427 236 HE1 PHE 35 HE1 PHE 35 18.091 14.931 1.000 237 HE2 PHE 35 HE2 PHE 35 14.844 17.014 -0.796 238 HZ PHE 35 HZ PHE 35 17.199 16.952 -0.083 239 H ALA 36 HN ALA 36 14.682 9.212 -1.114 240 HA ALA 36 HA ALA 36 17.158 8.724 0.115 241 1HB ALA 36 HB1 ALA 36 14.685 7.327 1.226 242 2HB ALA 36 HB2 ALA 36 16.369 6.939 1.667 243 3HB ALA 36 HB3 ALA 36 15.682 8.529 2.111 244 H ASN 37 HN ASN 37 16.546 8.568 -2.437 245 HA ASN 37 HA ASN 37 15.449 6.426 -3.691 246 1HB ASN 37 HB1 ASN 37 18.111 7.813 -4.272 247 2HB ASN 37 HB2 ASN 37 17.277 6.763 -5.397 248 1HD2 ASN 37 HD2 ASN 37 16.049 7.972 -6.875 249 2HD2 ASN 37 HD2 ASN 37 15.274 9.440 -6.499 250 H VAL 38 HN VAL 38 15.507 4.581 -2.584 251 HA VAL 38 HA VAL 38 17.933 2.966 -2.782 252 HB VAL 38 HB VAL 38 17.851 4.349 -0.568 253 1HG1 VAL 38 HG1 VAL 38 15.549 3.884 0.093 254 2HG1 VAL 38 HG1 VAL 38 15.956 2.138 0.220 255 3HG1 VAL 38 HG1 VAL 38 16.721 3.319 1.315 256 1HG2 VAL 38 HG2 VAL 38 18.366 1.394 -0.564 257 2HG2 VAL 38 HG2 VAL 38 19.469 2.736 -0.999 258 3HG2 VAL 38 HG2 VAL 38 18.904 2.549 0.688 259 H ASN 39 HN ASN 39 14.591 3.133 -1.632 260 HA ASN 39 HA ASN 39 14.129 0.400 -2.706 261 1HB ASN 39 HB1 ASN 39 12.579 1.784 -0.471 262 2HB ASN 39 HB2 ASN 39 12.264 0.223 -1.112 263 1HD2 ASN 39 HD2 ASN 39 14.386 -1.298 -0.966 264 2HD2 ASN 39 HD2 ASN 39 15.198 -1.191 0.521 265 H CYS 40 HN CYS 40 12.462 0.161 -4.116 266 HA CYS 40 HA CYS 40 10.948 2.652 -4.779 267 1HB CYS 40 HB1 CYS 40 12.376 0.761 -6.434 268 2HB CYS 40 HB2 CYS 40 10.674 0.555 -6.750 269 H TRP 41 HN TRP 41 8.794 2.526 -4.992 270 HA TRP 41 HA TRP 41 7.392 0.060 -4.111 271 1HB TRP 41 HB1 TRP 41 6.934 2.820 -2.927 272 2HB TRP 41 HB2 TRP 41 5.860 1.469 -2.742 273 HD1 TRP 41 HD1 TRP 41 9.580 2.397 -1.907 274 HE1 TRP 41 HE1 TRP 41 10.114 1.099 0.156 275 HE3 TRP 41 HE3 TRP 41 5.363 -0.231 -1.458 276 HZ2 TRP 41 HZ2 TRP 41 8.871 -0.878 1.951 277 HZ3 TRP 41 HZ3 TRP 41 4.986 -1.805 0.391 278 HH2 TRP 41 HH2 TRP 41 6.752 -2.138 2.107 279 H CYS 42 HN CYS 42 5.220 -0.078 -4.831 280 HA CYS 42 HA CYS 42 4.808 1.518 -7.266 281 1HB CYS 42 HB1 CYS 42 3.305 -0.800 -6.107 282 2HB CYS 42 HB2 CYS 42 2.828 0.004 -7.583 283 H GLU 43 HN GLU 43 2.200 1.854 -7.407 284 HA GLU 43 HA GLU 43 1.295 3.299 -4.993 285 1HB GLU 43 HB1 GLU 43 0.768 5.103 -7.141 286 2HB GLU 43 HB2 GLU 43 1.945 5.301 -5.862 287 1HG GLU 43 HG1 GLU 43 3.598 4.012 -7.264 288 2HG GLU 43 HG2 GLU 43 2.427 4.016 -8.580 289 H THR 44 HN THR 44 0.025 1.412 -5.061 290 HA THR 44 HA THR 44 -2.088 1.157 -7.053 291 HB THR 44 HB THR 44 -2.739 -0.838 -5.691 292 HG1 THR 44 HG1 THR 44 -1.908 0.589 -3.788 293 1HG2 THR 44 HG2 THR 44 0.309 -0.496 -5.608 294 2HG2 THR 44 HG2 THR 44 -0.617 -2.034 -5.698 295 3HG2 THR 44 HG2 THR 44 -0.576 -0.939 -7.098 Start of MODEL 17 1 1H ASP 1 HT1 ASP 1 0.502 0.679 -0.427 2 2H ASP 1 HT2 ASP 1 1.823 -0.283 0.103 3 3H ASP 1 HT3 ASP 1 1.957 1.418 0.012 4 HA ASP 1 HA ASP 1 1.221 0.564 -2.517 5 1HB ASP 1 HB1 ASP 1 3.945 1.397 -1.410 6 2HB ASP 1 HB2 ASP 1 3.397 1.533 -3.084 7 H LYS 2 HN LYS 2 2.545 -0.754 -3.918 8 HA LYS 2 HA LYS 2 3.308 -3.309 -2.636 9 1HB LYS 2 HB1 LYS 2 1.633 -2.847 -4.757 10 2HB LYS 2 HB2 LYS 2 3.135 -3.006 -5.634 11 1HG LYS 2 HG1 LYS 2 1.951 -5.065 -3.752 12 2HG LYS 2 HG2 LYS 2 1.944 -5.114 -5.496 13 1HD LYS 2 HD1 LYS 2 4.460 -5.173 -5.556 14 2HD LYS 2 HD2 LYS 2 4.568 -5.049 -3.832 15 1HE LYS 2 HE1 LYS 2 3.470 -7.449 -5.352 16 2HE LYS 2 HE2 LYS 2 4.996 -7.322 -4.521 17 1HZ LYS 2 HZ1 LYS 2 2.988 -6.589 -2.713 18 2HZ LYS 2 HZ2 LYS 2 2.477 -8.009 -3.493 19 3HZ LYS 2 HZ3 LYS 2 3.964 -7.989 -2.679 20 H LEU 3 HN LEU 3 5.369 -3.282 -2.076 21 HA LEU 3 HA LEU 3 7.372 -1.691 -3.329 22 1HB LEU 3 HB1 LEU 3 7.339 -2.690 -0.950 23 2HB LEU 3 HB2 LEU 3 7.834 -4.219 -1.649 24 HG LEU 3 HG LEU 3 9.489 -1.791 -2.394 25 1HD1 LEU 3 HD1 LEU 3 9.059 -1.430 -0.055 26 2HD1 LEU 3 HD1 LEU 3 9.631 -3.078 0.341 27 3HD1 LEU 3 HD1 LEU 3 10.758 -1.863 -0.354 28 1HD2 LEU 3 HD2 LEU 3 10.109 -4.124 -3.132 29 2HD2 LEU 3 HD2 LEU 3 11.335 -3.278 -2.149 30 3HD2 LEU 3 HD2 LEU 3 10.290 -4.546 -1.416 31 H ILE 4 HN ILE 4 9.254 -2.523 -4.399 32 HA ILE 4 HA ILE 4 8.807 -4.981 -6.017 33 HB ILE 4 HB ILE 4 9.717 -3.811 -8.055 34 1HG1 ILE 4 HG1 ILE 4 9.117 -1.182 -6.648 35 2HG1 ILE 4 HG1 ILE 4 10.730 -1.890 -6.730 36 1HG2 ILE 4 HG2 ILE 4 7.181 -2.647 -6.885 37 2HG2 ILE 4 HG2 ILE 4 7.611 -2.675 -8.625 38 3HG2 ILE 4 HG2 ILE 4 7.333 -4.205 -7.748 39 1HD1 ILE 4 HD1 ILE 4 10.715 -1.951 -9.103 40 2HD1 ILE 4 HD2 ILE 4 9.053 -1.268 -9.145 41 3HD1 ILE 4 HD3 ILE 4 10.399 -0.292 -8.512 42 H GLY 5 HN GLY 5 11.072 -2.510 -4.885 43 1HA GLY 5 HA1 GLY 5 13.046 -4.345 -4.095 44 2HA GLY 5 HA2 GLY 5 13.444 -3.817 -5.730 45 H SER 6 HN SER 6 15.275 -2.731 -5.136 46 HA SER 6 HA SER 6 14.942 -0.428 -3.288 47 1HB SER 6 HB1 SER 6 17.083 -2.369 -3.690 48 2HB SER 6 HB2 SER 6 17.714 -0.775 -4.043 49 HG SER 6 HG SER 6 17.756 -0.633 -1.905 50 H CYS 7 HN CYS 7 16.242 1.518 -3.914 51 HA CYS 7 HA CYS 7 16.356 2.013 -6.844 52 1HB CYS 7 HB1 CYS 7 15.074 3.760 -4.717 53 2HB CYS 7 HB2 CYS 7 15.544 4.334 -6.274 54 H VAL 8 HN VAL 8 18.446 1.320 -5.243 55 HA VAL 8 HA VAL 8 19.950 3.888 -4.955 56 HB VAL 8 HB VAL 8 20.513 1.315 -3.414 57 1HG1 VAL 8 HG1 VAL 8 22.424 2.806 -3.639 58 2HG1 VAL 8 HG1 VAL 8 21.446 4.157 -2.990 59 3HG1 VAL 8 HG1 VAL 8 21.846 2.755 -1.951 60 1HG2 VAL 8 HG2 VAL 8 19.511 2.387 -1.455 61 2HG2 VAL 8 HG2 VAL 8 18.999 3.751 -2.503 62 3HG2 VAL 8 HG2 VAL 8 18.333 2.114 -2.769 63 H TRP 9 HN TRP 9 21.554 4.052 -6.337 64 HA TRP 9 HA TRP 9 22.340 1.799 -8.006 65 1HB TRP 9 HB1 TRP 9 22.361 4.607 -8.314 66 2HB TRP 9 HB2 TRP 9 24.064 4.230 -8.158 67 HD1 TRP 9 HD1 TRP 9 22.131 5.072 -10.818 68 HE1 TRP 9 HE1 TRP 9 22.551 3.656 -12.838 69 HE3 TRP 9 HE3 TRP 9 24.449 1.047 -8.747 70 HZ2 TRP 9 HZ2 TRP 9 23.682 1.155 -13.622 71 HZ3 TRP 9 HZ3 TRP 9 25.179 -0.830 -10.140 72 HH2 TRP 9 HH2 TRP 9 24.802 -0.788 -12.588 73 H GLY 10 HN GLY 10 22.900 0.590 -6.118 74 1HA GLY 10 HA1 GLY 10 25.461 -0.199 -5.777 75 2HA GLY 10 HA2 GLY 10 25.441 1.231 -4.754 76 H ALA 11 HN ALA 11 23.110 -1.377 -5.338 77 HA ALA 11 HA ALA 11 23.419 -2.486 -2.690 78 1HB ALA 11 HB1 ALA 11 22.057 -0.485 -2.217 79 2HB ALA 11 HB2 ALA 11 20.882 -1.011 -3.463 80 3HB ALA 11 HB3 ALA 11 21.086 -1.966 -1.968 81 H VAL 12 HN VAL 12 21.515 -4.059 -2.364 82 HA VAL 12 HA VAL 12 21.463 -5.832 -4.687 83 HB VAL 12 HB VAL 12 19.905 -6.259 -2.134 84 1HG1 VAL 12 HG1 VAL 12 19.539 -7.980 -3.757 85 2HG1 VAL 12 HG1 VAL 12 21.314 -8.213 -3.932 86 3HG1 VAL 12 HG1 VAL 12 20.485 -8.609 -2.397 87 1HG2 VAL 12 HG2 VAL 12 22.871 -6.769 -2.500 88 2HG2 VAL 12 HG2 VAL 12 22.143 -5.583 -1.376 89 3HG2 VAL 12 HG2 VAL 12 21.894 -7.325 -1.102 90 H ASN 13 HN ASN 13 19.338 -6.875 -5.154 91 HA ASN 13 HA ASN 13 17.330 -6.577 -6.366 92 1HB ASN 13 HB1 ASN 13 16.534 -5.108 -3.896 93 2HB ASN 13 HB2 ASN 13 15.488 -6.073 -4.916 94 1HD2 ASN 13 HD2 ASN 13 16.745 -6.235 -1.910 95 2HD2 ASN 13 HD2 ASN 13 17.041 -7.906 -1.802 96 H TYR 14 HN TYR 14 19.396 -4.550 -6.649 97 HA TYR 14 HA TYR 14 18.345 -1.926 -6.642 98 1HB TYR 14 HB1 TYR 14 20.764 -2.224 -6.923 99 2HB TYR 14 HB2 TYR 14 20.527 -3.223 -8.349 100 HD1 TYR 14 HD1 TYR 14 19.435 0.194 -7.196 101 HD2 TYR 14 HD2 TYR 14 20.991 -2.148 -10.387 102 HE1 TYR 14 HE1 TYR 14 19.540 2.187 -8.614 103 HE2 TYR 14 HE2 TYR 14 21.094 -0.145 -11.795 104 HH TYR 14 HH TYR 14 21.315 2.453 -11.208 105 H THR 15 HN THR 15 17.039 -0.821 -7.998 106 HA THR 15 HA THR 15 16.181 -2.158 -10.476 107 HB THR 15 HB THR 15 14.667 -0.787 -8.246 108 HG1 THR 15 HG1 THR 15 13.705 -3.117 -9.585 109 1HG2 THR 15 HG2 THR 15 12.623 -0.715 -9.377 110 2HG2 THR 15 HG2 THR 15 13.777 0.402 -10.154 111 3HG2 THR 15 HG2 THR 15 13.369 -1.168 -10.932 112 H SER 16 HN SER 16 15.111 -0.499 -11.883 113 HA SER 16 HA SER 16 16.478 2.134 -11.920 114 1HB SER 16 HB1 SER 16 17.979 0.788 -13.272 115 2HB SER 16 HB2 SER 16 16.636 0.015 -14.128 116 HG SER 16 HG SER 16 16.207 1.878 -15.162 117 H ASP 17 HN ASP 17 14.237 -0.013 -13.654 118 HA ASP 17 HA ASP 17 12.578 2.332 -14.355 119 1HB ASP 17 HB1 ASP 17 11.645 0.790 -16.078 120 2HB ASP 17 HB2 ASP 17 13.394 0.850 -16.205 121 H CYS 18 HN CYS 18 12.187 2.208 -11.970 122 HA CYS 18 HA CYS 18 10.757 0.280 -10.589 123 1HB CYS 18 HB1 CYS 18 11.576 2.642 -10.016 124 2HB CYS 18 HB2 CYS 18 9.988 3.237 -10.447 125 H ASN 19 HN ASN 19 8.964 2.979 -12.144 126 HA ASN 19 HA ASN 19 6.497 1.807 -12.179 127 1HB ASN 19 HB1 ASN 19 7.434 4.085 -13.320 128 2HB ASN 19 HB2 ASN 19 7.203 3.125 -14.781 129 1HD2 ASN 19 HD2 ASN 19 4.941 1.803 -14.684 130 2HD2 ASN 19 HD2 ASN 19 3.626 2.705 -14.104 131 H GLY 20 HN GLY 20 9.193 0.984 -14.085 132 1HA GLY 20 HA1 GLY 20 7.845 -0.633 -16.077 133 2HA GLY 20 HA2 GLY 20 9.571 -0.693 -15.705 134 H GLU 21 HN GLU 21 9.866 -1.545 -13.357 135 HA GLU 21 HA GLU 21 9.225 -4.290 -13.317 136 1HB GLU 21 HB1 GLU 21 10.962 -2.846 -11.991 137 2HB GLU 21 HB2 GLU 21 9.704 -2.728 -10.800 138 1HG GLU 21 HG1 GLU 21 10.180 -4.822 -9.990 139 2HG GLU 21 HG2 GLU 21 9.885 -5.527 -11.530 140 H CYS 22 HN CYS 22 7.549 -1.564 -12.033 141 HA CYS 22 HA CYS 22 5.659 -3.105 -10.471 142 1HB CYS 22 HB1 CYS 22 5.921 -0.234 -11.280 143 2HB CYS 22 HB2 CYS 22 4.408 -0.764 -10.683 144 H LEU 23 HN LEU 23 5.677 -1.497 -13.682 145 HA LEU 23 HA LEU 23 3.003 -2.120 -14.310 146 1HB LEU 23 HB1 LEU 23 5.530 -1.426 -15.794 147 2HB LEU 23 HB2 LEU 23 4.157 -1.977 -16.683 148 HG LEU 23 HG LEU 23 3.975 0.282 -14.644 149 1HD1 LEU 23 HD1 LEU 23 4.340 0.435 -17.665 150 2HD1 LEU 23 HD1 LEU 23 4.096 1.850 -16.601 151 3HD1 LEU 23 HD1 LEU 23 5.592 0.874 -16.467 152 1HD2 LEU 23 HD2 LEU 23 1.839 -0.708 -15.227 153 2HD2 LEU 23 HD2 LEU 23 1.963 0.947 -15.869 154 3HD2 LEU 23 HD2 LEU 23 2.190 -0.454 -16.963 155 H LEU 24 HN LEU 24 5.999 -3.885 -14.358 156 HA LEU 24 HA LEU 24 5.129 -6.009 -16.043 157 1HB LEU 24 HB1 LEU 24 7.299 -5.317 -14.143 158 2HB LEU 24 HB2 LEU 24 6.994 -6.996 -14.299 159 HG LEU 24 HG LEU 24 7.592 -5.018 -16.573 160 1HD1 LEU 24 HD1 LEU 24 9.762 -6.123 -16.734 161 2HD1 LEU 24 HD1 LEU 24 9.542 -5.402 -15.121 162 3HD1 LEU 24 HD1 LEU 24 9.348 -7.176 -15.352 163 1HD2 LEU 24 HD2 LEU 24 7.956 -6.987 -17.981 164 2HD2 LEU 24 HD2 LEU 24 7.484 -8.057 -16.621 165 3HD2 LEU 24 HD2 LEU 24 6.280 -6.972 -17.381 166 H ARG 25 HN ARG 25 4.749 -5.285 -12.779 167 HA ARG 25 HA ARG 25 3.483 -7.858 -12.118 168 1HB ARG 25 HB1 ARG 25 4.252 -5.401 -10.550 169 2HB ARG 25 HB2 ARG 25 2.996 -6.457 -9.949 170 1HG ARG 25 HG1 ARG 25 4.760 -7.498 -8.868 171 2HG ARG 25 HG2 ARG 25 4.836 -8.394 -10.357 172 1HD ARG 25 HD1 ARG 25 6.543 -5.930 -9.745 173 2HD ARG 25 HD2 ARG 25 7.147 -7.545 -9.505 174 HE ARG 25 HE ARG 25 6.331 -6.358 -12.107 175 1HH1 ARG 25 HH1 ARG 25 9.515 -7.569 -13.021 176 2HH1 ARG 25 HH1 ARG 25 8.661 -6.111 -12.625 177 1HH2 ARG 25 HH2 ARG 25 8.348 -9.655 -12.217 178 2HH2 ARG 25 HH2 ARG 25 6.867 -9.380 -11.379 179 H GLY 26 HN GLY 26 2.471 -5.284 -13.759 180 1HA GLY 26 HA1 GLY 26 0.299 -4.868 -14.606 181 2HA GLY 26 HA2 GLY 26 -0.349 -6.020 -13.442 182 H TYR 27 HN TYR 27 1.763 -3.733 -12.112 183 HA TYR 27 HA TYR 27 -0.486 -2.554 -10.653 184 1HB TYR 27 HB1 TYR 27 2.458 -1.779 -10.602 185 2HB TYR 27 HB2 TYR 27 1.270 -1.278 -9.415 186 HD1 TYR 27 HD1 TYR 27 -0.231 -4.035 -9.295 187 HD2 TYR 27 HD2 TYR 27 3.878 -2.963 -9.103 188 HE1 TYR 27 HE1 TYR 27 0.212 -6.034 -8.056 189 HE2 TYR 27 HE2 TYR 27 4.339 -4.990 -7.828 190 HH TYR 27 HH TYR 27 2.269 -7.531 -7.778 191 H LYS 28 HN LYS 28 -1.275 -0.656 -10.766 192 HA LYS 28 HA LYS 28 -1.616 0.705 -13.144 193 1HB LYS 28 HB1 LYS 28 -1.878 2.812 -11.470 194 2HB LYS 28 HB2 LYS 28 -3.089 1.555 -11.575 195 1HG LYS 28 HG1 LYS 28 -0.773 1.081 -9.658 196 2HG LYS 28 HG2 LYS 28 -1.859 2.365 -9.268 197 1HD LYS 28 HD1 LYS 28 -3.028 -0.346 -10.041 198 2HD LYS 28 HD2 LYS 28 -2.413 -0.140 -8.424 199 1HE LYS 28 HE1 LYS 28 -3.859 2.209 -8.671 200 2HE LYS 28 HE2 LYS 28 -4.700 1.271 -9.886 201 1HZ LYS 28 HZ1 LYS 28 -5.857 0.352 -8.246 202 2HZ LYS 28 HZ2 LYS 28 -4.443 -0.312 -7.558 203 3HZ LYS 28 HZ3 LYS 28 -4.899 1.252 -7.151 204 H GLY 29 HN GLY 29 0.733 1.497 -10.608 205 1HA GLY 29 HA1 GLY 29 2.704 2.287 -12.539 206 2HA GLY 29 HA2 GLY 29 1.986 3.686 -11.728 207 H GLY 30 HN GLY 30 4.660 3.289 -11.416 208 1HA GLY 30 HA1 GLY 30 4.812 2.727 -8.569 209 2HA GLY 30 HA2 GLY 30 5.876 1.767 -9.614 210 H HIS 31 HN HIS 31 6.703 3.585 -7.569 211 HA HIS 31 HA HIS 31 8.391 5.310 -9.213 212 1HB HIS 31 HB1 HIS 31 7.767 7.391 -8.117 213 2HB HIS 31 HB2 HIS 31 6.310 6.647 -8.725 214 HD1 HIS 31 HD1 HIS 31 4.680 7.475 -7.182 215 HD2 HIS 31 HD2 HIS 31 7.842 5.925 -5.005 216 HE1 HIS 31 HE1 HIS 31 3.956 7.534 -4.815 217 HE2 HIS 31 HE2 HIS 31 5.921 6.576 -3.543 218 H CYS 32 HN CYS 32 10.135 6.229 -7.941 219 HA CYS 32 HA CYS 32 11.036 4.308 -5.933 220 1HB CYS 32 HB1 CYS 32 12.354 6.667 -7.294 221 2HB CYS 32 HB2 CYS 32 13.085 5.899 -5.906 222 H GLY 33 HN GLY 33 11.529 4.814 -3.862 223 1HA GLY 33 HA1 GLY 33 10.575 5.708 -1.827 224 2HA GLY 33 HA2 GLY 33 11.746 6.916 -2.362 225 H SER 34 HN SER 34 10.984 8.827 -2.024 226 HA SER 34 HA SER 34 8.510 9.655 -3.349 227 1HB SER 34 HB1 SER 34 7.768 8.768 -1.017 228 2HB SER 34 HB2 SER 34 8.666 10.126 -0.314 229 HG SER 34 HG SER 34 7.075 11.406 -1.009 230 H PHE 35 HN PHE 35 11.077 10.558 -1.038 231 HA PHE 35 HA PHE 35 12.051 12.660 -2.655 232 1HB PHE 35 HB1 PHE 35 9.789 13.507 -1.606 233 2HB PHE 35 HB2 PHE 35 10.683 13.610 -0.112 234 HD1 PHE 35 HD1 PHE 35 12.848 15.050 -0.053 235 HD2 PHE 35 HD2 PHE 35 10.045 15.200 -3.263 236 HE1 PHE 35 HE1 PHE 35 13.793 17.191 -0.779 237 HE2 PHE 35 HE2 PHE 35 10.992 17.348 -3.982 238 HZ PHE 35 HZ PHE 35 12.868 18.348 -2.745 239 H ALA 36 HN ALA 36 13.826 11.498 -2.218 240 HA ALA 36 HA ALA 36 15.977 11.439 -1.300 241 1HB ALA 36 HB1 ALA 36 16.500 12.338 0.869 242 2HB ALA 36 HB2 ALA 36 15.556 13.554 -0.046 243 3HB ALA 36 HB3 ALA 36 14.790 12.591 1.263 244 H ASN 37 HN ASN 37 14.527 9.310 -1.514 245 HA ASN 37 HA ASN 37 14.631 7.909 1.044 246 1HB ASN 37 HB1 ASN 37 12.447 7.923 -0.405 247 2HB ASN 37 HB2 ASN 37 13.398 6.902 -1.500 248 1HD2 ASN 37 HD2 ASN 37 12.390 6.932 2.016 249 2HD2 ASN 37 HD2 ASN 37 12.267 5.238 2.062 250 H VAL 38 HN VAL 38 14.722 5.300 -0.358 251 HA VAL 38 HA VAL 38 17.093 5.159 -1.945 252 HB VAL 38 HB VAL 38 18.321 3.695 -0.190 253 1HG1 VAL 38 HG1 VAL 38 18.038 6.568 0.758 254 2HG1 VAL 38 HG1 VAL 38 19.386 5.444 1.053 255 3HG1 VAL 38 HG1 VAL 38 19.076 6.036 -0.605 256 1HG2 VAL 38 HG2 VAL 38 16.391 5.040 1.699 257 2HG2 VAL 38 HG2 VAL 38 16.454 3.297 1.279 258 3HG2 VAL 38 HG2 VAL 38 17.804 4.053 2.166 259 H ASN 39 HN ASN 39 14.324 4.290 -2.000 260 HA ASN 39 HA ASN 39 14.776 1.476 -2.620 261 1HB ASN 39 HB1 ASN 39 13.249 2.199 -0.156 262 2HB ASN 39 HB2 ASN 39 12.270 1.328 -1.297 263 1HD2 ASN 39 HD2 ASN 39 15.834 0.825 -0.762 264 2HD2 ASN 39 HD2 ASN 39 15.592 -0.803 -0.391 265 H CYS 40 HN CYS 40 12.581 0.488 -3.462 266 HA CYS 40 HA CYS 40 11.240 2.571 -5.091 267 1HB CYS 40 HB1 CYS 40 12.695 0.247 -5.949 268 2HB CYS 40 HB2 CYS 40 11.022 -0.044 -6.230 269 H TRP 41 HN TRP 41 8.992 2.378 -5.320 270 HA TRP 41 HA TRP 41 7.663 0.113 -4.045 271 1HB TRP 41 HB1 TRP 41 7.052 3.007 -3.302 272 2HB TRP 41 HB2 TRP 41 6.191 1.602 -2.752 273 HD1 TRP 41 HD1 TRP 41 9.826 3.132 -2.426 274 HE1 TRP 41 HE1 TRP 41 10.625 2.372 -0.159 275 HE3 TRP 41 HE3 TRP 41 5.970 0.230 -1.061 276 HZ2 TRP 41 HZ2 TRP 41 9.779 0.710 2.063 277 HZ3 TRP 41 HZ3 TRP 41 5.918 -0.938 1.081 278 HH2 TRP 41 HH2 TRP 41 7.833 -0.706 2.680 279 H CYS 42 HN CYS 42 5.390 0.057 -4.685 280 HA CYS 42 HA CYS 42 5.099 1.250 -7.347 281 1HB CYS 42 HB1 CYS 42 3.450 -0.808 -5.866 282 2HB CYS 42 HB2 CYS 42 2.998 -0.179 -7.434 283 H GLU 43 HN GLU 43 2.548 1.782 -7.637 284 HA GLU 43 HA GLU 43 1.691 3.646 -5.494 285 1HB GLU 43 HB1 GLU 43 3.355 4.524 -7.201 286 2HB GLU 43 HB2 GLU 43 2.114 4.339 -8.409 287 1HG GLU 43 HG1 GLU 43 0.839 6.141 -7.542 288 2HG GLU 43 HG2 GLU 43 1.742 6.163 -6.026 289 H THR 44 HN THR 44 0.259 1.813 -5.355 290 HA THR 44 HA THR 44 -1.775 1.425 -7.385 291 HB THR 44 HB THR 44 -2.587 -0.278 -5.600 292 HG1 THR 44 HG1 THR 44 -1.454 1.495 -4.205 293 1HG2 THR 44 HG2 THR 44 -0.571 -1.637 -5.559 294 2HG2 THR 44 HG2 THR 44 -0.613 -0.884 -7.182 295 3HG2 THR 44 HG2 THR 44 0.468 -0.226 -5.921 Start of MODEL 18 1 1H ASP 1 HT1 ASP 1 -0.284 0.750 -0.633 2 2H ASP 1 HT2 ASP 1 0.561 -0.601 -0.005 3 3H ASP 1 HT3 ASP 1 0.964 0.943 0.512 4 HA ASP 1 HA ASP 1 1.246 0.860 -2.270 5 1HB ASP 1 HB1 ASP 1 3.725 1.161 -1.540 6 2HB ASP 1 HB2 ASP 1 2.609 2.355 -0.942 7 H LYS 2 HN LYS 2 2.996 -0.349 -3.294 8 HA LYS 2 HA LYS 2 3.260 -3.150 -2.395 9 1HB LYS 2 HB1 LYS 2 1.586 -2.178 -4.507 10 2HB LYS 2 HB2 LYS 2 2.961 -2.892 -5.289 11 1HG LYS 2 HG1 LYS 2 1.126 -4.495 -4.889 12 2HG LYS 2 HG2 LYS 2 2.589 -5.015 -4.050 13 1HD LYS 2 HD1 LYS 2 1.543 -3.976 -1.939 14 2HD LYS 2 HD2 LYS 2 0.137 -3.588 -2.924 15 1HE LYS 2 HE1 LYS 2 -0.121 -6.034 -3.406 16 2HE LYS 2 HE2 LYS 2 1.308 -6.361 -2.438 17 1HZ LYS 2 HZ1 LYS 2 -1.331 -6.007 -1.572 18 2HZ LYS 2 HZ2 LYS 2 0.023 -6.347 -0.625 19 3HZ LYS 2 HZ3 LYS 2 -0.420 -4.733 -0.919 20 H LEU 3 HN LEU 3 5.276 -3.120 -1.897 21 HA LEU 3 HA LEU 3 7.380 -1.721 -3.184 22 1HB LEU 3 HB1 LEU 3 7.392 -2.819 -0.870 23 2HB LEU 3 HB2 LEU 3 7.568 -4.366 -1.652 24 HG LEU 3 HG LEU 3 9.653 -2.182 -2.185 25 1HD1 LEU 3 HD1 LEU 3 9.584 -4.104 0.169 26 2HD1 LEU 3 HD1 LEU 3 10.945 -3.027 -0.293 27 3HD1 LEU 3 HD1 LEU 3 9.385 -2.337 0.243 28 1HD2 LEU 3 HD2 LEU 3 11.184 -4.020 -2.350 29 2HD2 LEU 3 HD2 LEU 3 9.927 -5.195 -1.811 30 3HD2 LEU 3 HD2 LEU 3 9.798 -4.428 -3.399 31 H ILE 4 HN ILE 4 9.071 -2.636 -4.394 32 HA ILE 4 HA ILE 4 8.366 -4.976 -6.043 33 HB ILE 4 HB ILE 4 9.292 -3.635 -8.119 34 1HG1 ILE 4 HG1 ILE 4 9.003 -1.308 -6.182 35 2HG1 ILE 4 HG1 ILE 4 10.466 -1.905 -6.967 36 1HG2 ILE 4 HG2 ILE 4 6.893 -4.094 -7.723 37 2HG2 ILE 4 HG2 ILE 4 6.794 -2.582 -6.764 38 3HG2 ILE 4 HG2 ILE 4 7.157 -2.533 -8.522 39 1HD1 ILE 4 HD1 ILE 4 9.581 0.041 -8.140 40 2HD1 ILE 4 HD2 ILE 4 9.542 -1.421 -9.155 41 3HD1 ILE 4 HD3 ILE 4 8.036 -0.784 -8.383 42 H GLY 5 HN GLY 5 10.870 -2.692 -5.082 43 1HA GLY 5 HA1 GLY 5 12.768 -4.655 -4.430 44 2HA GLY 5 HA2 GLY 5 13.082 -4.148 -6.096 45 H SER 6 HN SER 6 15.067 -3.132 -5.607 46 HA SER 6 HA SER 6 14.842 -0.821 -3.745 47 1HB SER 6 HB1 SER 6 16.883 -2.371 -3.328 48 2HB SER 6 HB2 SER 6 17.469 -1.945 -4.921 49 HG SER 6 HG SER 6 17.141 -0.311 -2.611 50 H CYS 7 HN CYS 7 16.251 0.964 -4.391 51 HA CYS 7 HA CYS 7 16.231 1.594 -7.293 52 1HB CYS 7 HB1 CYS 7 14.014 2.358 -6.467 53 2HB CYS 7 HB2 CYS 7 14.791 3.251 -5.182 54 H VAL 8 HN VAL 8 18.286 0.999 -5.574 55 HA VAL 8 HA VAL 8 19.705 3.642 -5.386 56 HB VAL 8 HB VAL 8 20.418 1.167 -3.754 57 1HG1 VAL 8 HG1 VAL 8 21.629 2.734 -2.325 58 2HG1 VAL 8 HG1 VAL 8 22.210 2.793 -4.011 59 3HG1 VAL 8 HG1 VAL 8 21.128 4.079 -3.392 60 1HG2 VAL 8 HG2 VAL 8 19.355 2.195 -1.825 61 2HG2 VAL 8 HG2 VAL 8 18.717 3.489 -2.896 62 3HG2 VAL 8 HG2 VAL 8 18.206 1.791 -3.127 63 H TRP 9 HN TRP 9 21.408 3.800 -6.657 64 HA TRP 9 HA TRP 9 22.284 1.554 -8.278 65 1HB TRP 9 HB1 TRP 9 22.185 3.835 -9.222 66 2HB TRP 9 HB2 TRP 9 23.319 4.406 -8.010 67 HD1 TRP 9 HD1 TRP 9 24.707 5.352 -10.080 68 HE1 TRP 9 HE1 TRP 9 26.445 4.178 -11.450 69 HE3 TRP 9 HE3 TRP 9 23.708 0.434 -9.057 70 HZ2 TRP 9 HZ2 TRP 9 27.389 1.621 -12.120 71 HZ3 TRP 9 HZ3 TRP 9 25.056 -1.323 -10.085 72 HH2 TRP 9 HH2 TRP 9 26.901 -0.751 -11.622 73 H GLY 10 HN GLY 10 22.707 0.441 -6.197 74 1HA GLY 10 HA1 GLY 10 25.272 -0.344 -5.751 75 2HA GLY 10 HA2 GLY 10 25.171 1.097 -4.746 76 H ALA 11 HN ALA 11 22.874 -1.515 -5.440 77 HA ALA 11 HA ALA 11 23.021 -2.590 -2.754 78 1HB ALA 11 HB1 ALA 11 21.572 -0.624 -2.439 79 2HB ALA 11 HB2 ALA 11 20.517 -1.196 -3.768 80 3HB ALA 11 HB3 ALA 11 20.636 -2.134 -2.250 81 H VAL 12 HN VAL 12 21.087 -4.188 -2.568 82 HA VAL 12 HA VAL 12 21.289 -5.975 -4.881 83 HB VAL 12 HB VAL 12 19.572 -6.563 -2.469 84 1HG1 VAL 12 HG1 VAL 12 20.459 -8.824 -2.686 85 2HG1 VAL 12 HG1 VAL 12 19.650 -8.266 -4.164 86 3HG1 VAL 12 HG1 VAL 12 21.446 -8.286 -4.079 87 1HG2 VAL 12 HG2 VAL 12 22.600 -6.690 -2.454 88 2HG2 VAL 12 HG2 VAL 12 21.577 -5.627 -1.436 89 3HG2 VAL 12 HG2 VAL 12 21.526 -7.390 -1.200 90 H ASN 13 HN ASN 13 19.246 -7.081 -5.526 91 HA ASN 13 HA ASN 13 17.338 -6.837 -6.858 92 1HB ASN 13 HB1 ASN 13 15.779 -5.421 -4.826 93 2HB ASN 13 HB2 ASN 13 15.573 -7.056 -5.399 94 1HD2 ASN 13 HD2 ASN 13 16.269 -5.299 -2.611 95 2HD2 ASN 13 HD2 ASN 13 16.994 -6.555 -1.725 96 H TYR 14 HN TYR 14 19.292 -4.717 -6.908 97 HA TYR 14 HA TYR 14 18.184 -2.128 -6.921 98 1HB TYR 14 HB1 TYR 14 20.595 -2.209 -7.131 99 2HB TYR 14 HB2 TYR 14 20.531 -3.405 -8.412 100 HD1 TYR 14 HD1 TYR 14 19.536 0.161 -7.752 101 HD2 TYR 14 HD2 TYR 14 20.733 -2.701 -10.654 102 HE1 TYR 14 HE1 TYR 14 19.647 1.923 -9.447 103 HE2 TYR 14 HE2 TYR 14 20.836 -0.935 -12.347 104 HH TYR 14 HH TYR 14 19.542 1.383 -12.573 105 H THR 15 HN THR 15 16.948 -1.013 -8.299 106 HA THR 15 HA THR 15 16.165 -2.349 -10.853 107 HB THR 15 HB THR 15 14.316 -2.093 -8.954 108 HG1 THR 15 HG1 THR 15 13.373 -2.554 -10.674 109 1HG2 THR 15 HG2 THR 15 14.024 0.504 -10.555 110 2HG2 THR 15 HG2 THR 15 13.004 -0.115 -9.234 111 3HG2 THR 15 HG2 THR 15 14.634 0.507 -8.862 112 H SER 16 HN SER 16 15.066 -0.661 -12.169 113 HA SER 16 HA SER 16 16.598 1.908 -12.296 114 1HB SER 16 HB1 SER 16 16.790 -0.325 -14.304 115 2HB SER 16 HB2 SER 16 16.643 1.296 -14.970 116 HG SER 16 HG SER 16 18.695 1.382 -14.561 117 H ASP 17 HN ASP 17 14.168 -0.053 -13.936 118 HA ASP 17 HA ASP 17 12.622 2.398 -14.574 119 1HB ASP 17 HB1 ASP 17 11.489 0.896 -16.242 120 2HB ASP 17 HB2 ASP 17 13.220 0.980 -16.526 121 H CYS 18 HN CYS 18 12.269 2.202 -12.161 122 HA CYS 18 HA CYS 18 10.819 0.357 -10.749 123 1HB CYS 18 HB1 CYS 18 11.583 2.842 -10.263 124 2HB CYS 18 HB2 CYS 18 9.979 3.291 -10.725 125 H ASN 19 HN ASN 19 9.024 2.996 -12.414 126 HA ASN 19 HA ASN 19 6.553 1.958 -12.449 127 1HB ASN 19 HB1 ASN 19 7.269 4.064 -13.690 128 2HB ASN 19 HB2 ASN 19 7.805 3.023 -15.007 129 1HD2 ASN 19 HD2 ASN 19 6.117 3.074 -16.549 130 2HD2 ASN 19 HD2 ASN 19 4.483 2.825 -16.154 131 H GLY 20 HN GLY 20 9.117 1.019 -14.545 132 1HA GLY 20 HA1 GLY 20 7.654 -0.863 -16.159 133 2HA GLY 20 HA2 GLY 20 9.401 -0.848 -15.966 134 H GLU 21 HN GLU 21 9.842 -1.389 -13.449 135 HA GLU 21 HA GLU 21 9.385 -4.169 -13.198 136 1HB GLU 21 HB1 GLU 21 11.081 -2.471 -11.907 137 2HB GLU 21 HB2 GLU 21 9.853 -2.600 -10.670 138 1HG GLU 21 HG1 GLU 21 9.806 -5.065 -10.964 139 2HG GLU 21 HG2 GLU 21 11.191 -4.979 -12.018 140 H CYS 22 HN CYS 22 7.568 -1.482 -12.136 141 HA CYS 22 HA CYS 22 5.755 -2.926 -10.376 142 1HB CYS 22 HB1 CYS 22 5.895 -0.167 -11.526 143 2HB CYS 22 HB2 CYS 22 4.352 -0.698 -10.995 144 H LEU 23 HN LEU 23 5.639 -1.646 -13.719 145 HA LEU 23 HA LEU 23 3.056 -2.509 -14.372 146 1HB LEU 23 HB1 LEU 23 5.607 -1.951 -15.891 147 2HB LEU 23 HB2 LEU 23 4.195 -2.503 -16.703 148 HG LEU 23 HG LEU 23 4.274 0.048 -15.013 149 1HD1 LEU 23 HD1 LEU 23 5.761 0.176 -16.960 150 2HD1 LEU 23 HD1 LEU 23 4.434 -0.393 -18.020 151 3HD1 LEU 23 HD1 LEU 23 4.319 1.199 -17.222 152 1HD2 LEU 23 HD2 LEU 23 2.257 -0.930 -17.051 153 2HD2 LEU 23 HD2 LEU 23 2.019 -0.887 -15.280 154 3HD2 LEU 23 HD2 LEU 23 2.217 0.638 -16.185 155 H LEU 24 HN LEU 24 6.170 -4.043 -14.255 156 HA LEU 24 HA LEU 24 5.611 -6.411 -15.699 157 1HB LEU 24 HB1 LEU 24 7.677 -5.246 -14.056 158 2HB LEU 24 HB2 LEU 24 7.417 -6.844 -13.466 159 HG LEU 24 HG LEU 24 7.897 -6.025 -16.345 160 1HD1 LEU 24 HD1 LEU 24 9.796 -7.280 -14.317 161 2HD1 LEU 24 HD1 LEU 24 10.174 -6.975 -16.039 162 3HD1 LEU 24 HD1 LEU 24 9.868 -5.602 -14.942 163 1HD2 LEU 24 HD2 LEU 24 6.720 -8.202 -16.106 164 2HD2 LEU 24 HD2 LEU 24 8.379 -8.450 -16.720 165 3HD2 LEU 24 HD2 LEU 24 8.004 -8.767 -14.998 166 H ARG 25 HN ARG 25 5.091 -5.483 -12.521 167 HA ARG 25 HA ARG 25 3.929 -8.055 -11.658 168 1HB ARG 25 HB1 ARG 25 4.737 -5.484 -10.306 169 2HB ARG 25 HB2 ARG 25 3.533 -6.468 -9.499 170 1HG ARG 25 HG1 ARG 25 5.013 -8.318 -9.214 171 2HG ARG 25 HG2 ARG 25 6.048 -7.820 -10.533 172 1HD ARG 25 HD1 ARG 25 5.858 -6.010 -8.131 173 2HD ARG 25 HD2 ARG 25 6.877 -7.429 -7.981 174 HE ARG 25 HE ARG 25 7.231 -5.407 -10.165 175 1HH1 ARG 25 HH1 ARG 25 10.353 -7.198 -10.110 176 2HH1 ARG 25 HH1 ARG 25 8.898 -7.436 -11.059 177 1HH2 ARG 25 HH2 ARG 25 10.328 -6.116 -8.120 178 2HH2 ARG 25 HH2 ARG 25 8.784 -5.486 -7.634 179 H GLY 26 HN GLY 26 2.800 -5.567 -13.393 180 1HA GLY 26 HA1 GLY 26 0.599 -5.253 -14.179 181 2HA GLY 26 HA2 GLY 26 0.017 -6.357 -12.932 182 H TYR 27 HN TYR 27 2.133 -4.011 -11.752 183 HA TYR 27 HA TYR 27 -0.107 -2.689 -10.378 184 1HB TYR 27 HB1 TYR 27 2.935 -2.499 -10.187 185 2HB TYR 27 HB2 TYR 27 1.885 -1.529 -9.188 186 HD1 TYR 27 HD1 TYR 27 3.856 -3.449 -8.027 187 HD2 TYR 27 HD2 TYR 27 -0.218 -4.135 -9.114 188 HE1 TYR 27 HE1 TYR 27 3.691 -5.229 -6.382 189 HE2 TYR 27 HE2 TYR 27 -0.359 -5.886 -7.496 190 HH TYR 27 HH TYR 27 1.778 -7.515 -6.312 191 H LYS 28 HN LYS 28 -0.131 -0.360 -10.140 192 HA LYS 28 HA LYS 28 -0.024 0.792 -12.837 193 1HB LYS 28 HB1 LYS 28 -1.090 2.828 -11.484 194 2HB LYS 28 HB2 LYS 28 -2.077 1.434 -11.839 195 1HG LYS 28 HG1 LYS 28 -0.480 1.401 -9.272 196 2HG LYS 28 HG2 LYS 28 -1.784 2.538 -9.354 197 1HD LYS 28 HD1 LYS 28 -2.387 -0.276 -10.297 198 2HD LYS 28 HD2 LYS 28 -2.189 -0.066 -8.581 199 1HE LYS 28 HE1 LYS 28 -3.909 2.057 -9.789 200 2HE LYS 28 HE2 LYS 28 -4.535 0.444 -10.048 201 1HZ LYS 28 HZ1 LYS 28 -5.283 0.512 -7.964 202 2HZ LYS 28 HZ2 LYS 28 -3.735 0.526 -7.348 203 3HZ LYS 28 HZ3 LYS 28 -4.485 1.960 -7.622 204 H GLY 29 HN GLY 29 0.569 3.109 -12.898 205 1HA GLY 29 HA1 GLY 29 3.141 3.710 -13.018 206 2HA GLY 29 HA2 GLY 29 2.034 4.899 -12.390 207 H GLY 30 HN GLY 30 4.710 2.941 -11.603 208 1HA GLY 30 HA1 GLY 30 4.286 3.330 -8.689 209 2HA GLY 30 HA2 GLY 30 5.518 2.302 -9.430 210 H HIS 31 HN HIS 31 6.803 3.540 -7.742 211 HA HIS 31 HA HIS 31 8.352 5.523 -9.124 212 1HB HIS 31 HB1 HIS 31 7.874 7.441 -7.606 213 2HB HIS 31 HB2 HIS 31 6.408 6.946 -8.418 214 HD1 HIS 31 HD1 HIS 31 4.449 6.622 -6.787 215 HD2 HIS 31 HD2 HIS 31 8.086 6.163 -4.833 216 HE1 HIS 31 HE1 HIS 31 3.920 6.268 -4.425 217 HE2 HIS 31 HE2 HIS 31 6.137 6.013 -3.280 218 H CYS 32 HN CYS 32 9.935 6.528 -7.426 219 HA CYS 32 HA CYS 32 10.950 4.262 -5.810 220 1HB CYS 32 HB1 CYS 32 12.261 6.776 -6.863 221 2HB CYS 32 HB2 CYS 32 13.033 5.735 -5.703 222 H GLY 33 HN GLY 33 11.501 4.549 -3.701 223 1HA GLY 33 HA1 GLY 33 10.619 5.230 -1.556 224 2HA GLY 33 HA2 GLY 33 11.765 6.491 -2.001 225 H SER 34 HN SER 34 11.020 8.354 -1.455 226 HA SER 34 HA SER 34 8.498 9.300 -2.598 227 1HB SER 34 HB1 SER 34 7.882 8.168 -0.330 228 2HB SER 34 HB2 SER 34 8.790 9.470 0.456 229 HG SER 34 HG SER 34 7.144 10.753 0.000 230 H PHE 35 HN PHE 35 11.158 9.984 -0.312 231 HA PHE 35 HA PHE 35 12.076 12.236 -1.757 232 1HB PHE 35 HB1 PHE 35 9.876 12.986 -0.538 233 2HB PHE 35 HB2 PHE 35 10.817 12.920 0.932 234 HD1 PHE 35 HD1 PHE 35 10.669 14.520 -2.415 235 HD2 PHE 35 HD2 PHE 35 12.418 14.649 1.468 236 HE1 PHE 35 HE1 PHE 35 11.629 16.721 -2.924 237 HE2 PHE 35 HE2 PHE 35 13.379 16.851 0.958 238 HZ PHE 35 HZ PHE 35 12.988 17.892 -1.237 239 H ALA 36 HN ALA 36 13.866 11.030 -1.500 240 HA ALA 36 HA ALA 36 16.049 10.882 -0.673 241 1HB ALA 36 HB1 ALA 36 16.661 11.561 1.554 242 2HB ALA 36 HB2 ALA 36 15.686 12.863 0.802 243 3HB ALA 36 HB3 ALA 36 14.966 11.775 2.036 244 H ASN 37 HN ASN 37 14.599 8.806 -1.033 245 HA ASN 37 HA ASN 37 14.766 7.137 1.356 246 1HB ASN 37 HB1 ASN 37 12.547 7.335 0.034 247 2HB ASN 37 HB2 ASN 37 13.461 6.543 -1.263 248 1HD2 ASN 37 HD2 ASN 37 12.572 5.849 2.231 249 2HD2 ASN 37 HD2 ASN 37 12.421 4.186 1.907 250 H VAL 38 HN VAL 38 14.807 4.690 -0.318 251 HA VAL 38 HA VAL 38 17.095 4.699 -1.989 252 HB VAL 38 HB VAL 38 18.190 2.900 -0.185 253 1HG1 VAL 38 HG1 VAL 38 18.706 5.881 0.029 254 2HG1 VAL 38 HG1 VAL 38 19.772 4.551 0.545 255 3HG1 VAL 38 HG1 VAL 38 19.406 4.779 -1.194 256 1HG2 VAL 38 HG2 VAL 38 18.109 3.766 2.061 257 2HG2 VAL 38 HG2 VAL 38 16.944 5.020 1.564 258 3HG2 VAL 38 HG2 VAL 38 16.486 3.287 1.486 259 H ASN 39 HN ASN 39 14.303 3.794 -2.058 260 HA ASN 39 HA ASN 39 14.818 1.118 -2.991 261 1HB ASN 39 HB1 ASN 39 13.221 1.562 -0.427 262 2HB ASN 39 HB2 ASN 39 12.569 0.486 -1.601 263 1HD2 ASN 39 HD2 ASN 39 14.901 0.583 0.954 264 2HD2 ASN 39 HD2 ASN 39 15.723 -0.837 0.506 265 H CYS 40 HN CYS 40 12.549 0.173 -3.834 266 HA CYS 40 HA CYS 40 11.182 2.464 -5.101 267 1HB CYS 40 HB1 CYS 40 12.655 0.316 -6.294 268 2HB CYS 40 HB2 CYS 40 10.984 0.079 -6.667 269 H TRP 41 HN TRP 41 8.993 2.290 -5.401 270 HA TRP 41 HA TRP 41 7.597 -0.023 -4.261 271 1HB TRP 41 HB1 TRP 41 7.065 2.824 -3.256 272 2HB TRP 41 HB2 TRP 41 6.135 1.402 -2.875 273 HD1 TRP 41 HD1 TRP 41 9.864 2.636 -2.418 274 HE1 TRP 41 HE1 TRP 41 10.601 1.588 -0.269 275 HE3 TRP 41 HE3 TRP 41 5.767 -0.066 -1.247 276 HZ2 TRP 41 HZ2 TRP 41 9.652 -0.176 1.804 277 HZ3 TRP 41 HZ3 TRP 41 5.677 -1.410 0.793 278 HH2 TRP 41 HH2 TRP 41 7.620 -1.479 2.336 279 H CYS 42 HN CYS 42 5.287 0.080 -4.731 280 HA CYS 42 HA CYS 42 4.940 1.444 -7.349 281 1HB CYS 42 HB1 CYS 42 3.379 -0.764 -6.003 282 2HB CYS 42 HB2 CYS 42 2.859 -0.013 -7.495 283 H GLU 43 HN GLU 43 2.357 1.907 -7.543 284 HA GLU 43 HA GLU 43 1.526 3.521 -5.217 285 1HB GLU 43 HB1 GLU 43 2.927 4.796 -7.191 286 2HB GLU 43 HB2 GLU 43 1.338 4.861 -7.895 287 1HG GLU 43 HG1 GLU 43 0.385 5.936 -5.945 288 2HG GLU 43 HG2 GLU 43 1.881 5.803 -5.041 289 H THR 44 HN THR 44 0.134 1.717 -5.184 290 HA THR 44 HA THR 44 -1.960 1.634 -7.244 291 HB THR 44 HB THR 44 -0.991 -0.520 -6.387 292 HG1 THR 44 HG1 THR 44 -3.566 -0.435 -5.352 293 1HG2 THR 44 HG2 THR 44 -1.553 -1.335 -4.170 294 2HG2 THR 44 HG2 THR 44 -0.617 0.186 -4.016 295 3HG2 THR 44 HG2 THR 44 -2.378 0.209 -3.772
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