NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570898 | 2mfa | 19542 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 1HT LEU 1 3.117 15.039 2.246 2 H2 LEU 1 2HT LEU 1 3.971 14.406 0.923 3 H3 LEU 1 3HT LEU 1 4.796 15.122 2.170 4 HA LEU 1 HA LEU 1 4.228 13.401 3.656 5 HB2 LEU 1 2HB LEU 1 2.528 12.468 1.389 6 HB3 LEU 1 1HB LEU 1 3.161 11.327 2.551 7 HG LEU 1 HG LEU 1 1.365 13.657 3.214 8 HD11 LEU 1 2HD1 LEU 1 0.852 10.703 3.079 9 HD12 LEU 1 3HD1 LEU 1 0.248 11.905 1.938 10 HD13 LEU 1 1HD1 LEU 1 -0.294 11.933 3.617 11 HD21 LEU 1 1HD2 LEU 1 2.436 11.388 4.867 12 HD22 LEU 1 2HD2 LEU 1 1.237 12.560 5.404 13 HD23 LEU 1 3HD2 LEU 1 2.882 13.078 5.047 14 H LYS 2 H LYS 2 5.806 12.120 3.996 15 HA LYS 2 HA LYS 2 7.154 11.032 1.683 16 HB2 LYS 2 2HB LYS 2 9.148 10.783 3.175 17 HB3 LYS 2 1HB LYS 2 8.657 12.452 2.961 18 HG2 LYS 2 2HG LYS 2 7.494 12.323 5.169 19 HG3 LYS 2 1HG LYS 2 8.186 10.717 5.379 20 HD2 LYS 2 2HD LYS 2 9.732 13.279 5.009 21 HD3 LYS 2 1HD LYS 2 9.500 12.441 6.536 22 HE2 LYS 2 2HE LYS 2 10.699 10.488 5.613 23 HE3 LYS 2 1HE LYS 2 10.955 11.378 4.115 24 HZ1 LYS 2 3HZ LYS 2 12.166 13.050 5.412 25 HZ2 LYS 2 1HZ LYS 2 12.887 11.527 5.467 26 HZ3 LYS 2 2HZ LYS 2 12.024 12.076 6.792 27 H CYS 3 H CYS 3 6.807 8.940 1.350 28 HA CYS 3 HA CYS 3 6.194 7.243 3.616 29 HB2 CYS 3 2HB CYS 3 4.351 7.556 1.233 30 HB3 CYS 3 1HB CYS 3 4.239 6.246 2.413 31 H PHE 4 H PHE 4 6.018 4.892 2.900 32 HA PHE 4 HA PHE 4 8.525 4.387 1.562 33 HB2 PHE 4 2HB PHE 4 6.612 2.451 2.885 34 HB3 PHE 4 1HB PHE 4 8.245 2.085 2.345 35 HD1 PHE 4 2HD PHE 4 10.161 2.932 3.571 36 HD2 PHE 4 1HD PHE 4 6.204 3.658 4.910 37 HE1 PHE 4 2HE PHE 4 11.035 3.613 5.762 38 HE2 PHE 4 1HE PHE 4 7.051 4.326 7.109 39 HZ PHE 4 HZ PHE 4 9.477 4.316 7.547 40 H GLN 5 H GLN 5 7.671 5.131 -0.456 41 HA GLN 5 HA GLN 5 5.745 3.530 -1.879 42 HB2 GLN 5 2HB GLN 5 5.981 5.917 -2.340 43 HB3 GLN 5 1HB GLN 5 7.647 5.662 -2.831 44 HG2 GLN 5 2HG GLN 5 6.875 4.285 -4.699 45 HG3 GLN 5 1HG GLN 5 5.208 4.588 -4.231 46 HE21 GLN 5 1HE2 GLN 5 7.755 6.990 -4.078 47 HE22 GLN 5 2HE2 GLN 5 7.152 7.985 -5.338 48 H HIS 6 H HIS 6 9.230 3.871 -1.823 49 HA HIS 6 HA HIS 6 9.465 1.654 -3.741 50 HB2 HIS 6 2HB HIS 6 11.506 3.760 -2.949 51 HB3 HIS 6 1HB HIS 6 11.818 2.440 -4.068 52 HD1 HIS 6 1HD HIS 6 11.617 5.789 -4.539 53 HD2 HIS 6 2HD HIS 6 9.185 2.715 -5.939 54 HE1 HIS 6 1HE HIS 6 10.451 6.701 -6.545 55 H GLY 7 H GLY 7 8.938 1.621 -0.817 56 HA2 GLY 7 2HA GLY 7 9.451 -0.047 0.765 57 HA3 GLY 7 1HA GLY 7 10.990 -0.328 -0.055 58 H LYS 8 H LYS 8 11.844 2.218 -0.262 59 HA LYS 8 HA LYS 8 12.524 2.949 2.459 60 HB2 LYS 8 2HB LYS 8 14.126 4.513 1.373 61 HB3 LYS 8 1HB LYS 8 14.347 2.871 0.793 62 HG2 LYS 8 2HG LYS 8 13.133 3.416 -1.249 63 HG3 LYS 8 1HG LYS 8 12.845 5.044 -0.647 64 HD2 LYS 8 2HD LYS 8 15.283 5.445 -0.635 65 HD3 LYS 8 1HD LYS 8 15.533 3.825 -1.295 66 HE2 LYS 8 2HE LYS 8 14.168 4.435 -3.256 67 HE3 LYS 8 1HE LYS 8 13.966 6.046 -2.593 68 HZ1 LYS 8 3HZ LYS 8 16.584 4.863 -3.335 69 HZ2 LYS 8 1HZ LYS 8 16.310 6.434 -2.805 70 HZ3 LYS 8 2HZ LYS 8 15.706 5.934 -4.295 71 H VAL 9 H VAL 9 12.083 5.076 3.237 72 HA VAL 9 HA VAL 9 9.595 6.066 2.261 73 HB VAL 9 HB VAL 9 9.794 6.050 4.644 74 HG11 VAL 9 1HG1 VAL 9 12.189 6.170 4.900 75 HG12 VAL 9 2HG1 VAL 9 11.346 7.364 5.890 76 HG13 VAL 9 3HG1 VAL 9 12.159 7.873 4.405 77 HG21 VAL 9 3HG2 VAL 9 9.370 8.412 5.226 78 HG22 VAL 9 1HG2 VAL 9 8.482 7.856 3.802 79 HG23 VAL 9 2HG2 VAL 9 9.923 8.849 3.614 80 H VAL 10 H VAL 10 9.313 7.350 0.710 81 HA VAL 10 HA VAL 10 11.419 9.232 -0.058 82 HB VAL 10 HB VAL 10 10.761 8.934 -2.399 83 HG11 VAL 10 1HG1 VAL 10 11.595 6.669 -2.751 84 HG12 VAL 10 2HG1 VAL 10 11.392 6.354 -1.028 85 HG13 VAL 10 3HG1 VAL 10 12.562 7.565 -1.571 86 HG21 VAL 10 3HG2 VAL 10 8.432 8.313 -2.109 87 HG22 VAL 10 1HG2 VAL 10 8.918 6.784 -1.376 88 HG23 VAL 10 2HG2 VAL 10 9.284 7.105 -3.073 89 H THR 11 H THR 11 10.682 11.148 -1.056 90 HA THR 11 HA THR 11 8.293 12.132 0.179 91 HB THR 11 HB THR 11 10.059 13.545 -1.816 92 HG1 THR 11 1HG THR 11 10.937 12.490 0.329 93 HG21 THR 11 3HG2 THR 11 9.280 15.544 -0.631 94 HG22 THR 11 1HG2 THR 11 8.352 14.533 0.479 95 HG23 THR 11 2HG2 THR 11 7.911 14.608 -1.224 96 H CYS 12 H CYS 12 6.363 11.813 -0.729 97 HA CYS 12 HA CYS 12 5.999 11.274 -3.548 98 HB2 CYS 12 2HB CYS 12 4.051 11.563 -1.245 99 HB3 CYS 12 1HB CYS 12 3.653 10.965 -2.861 100 H HIS 13 H HIS 13 4.490 12.595 -4.868 101 HA HIS 13 HA HIS 13 5.446 15.262 -4.842 102 HB2 HIS 13 2HB HIS 13 4.609 13.843 -6.855 103 HB3 HIS 13 1HB HIS 13 3.007 14.438 -6.420 104 HD1 HIS 13 1HD HIS 13 2.383 16.714 -7.577 105 HD2 HIS 13 2HD HIS 13 6.492 15.970 -7.380 106 HE1 HIS 13 1HE HIS 13 3.483 18.582 -8.765 107 H ARG 14 H ARG 14 4.052 17.207 -4.877 108 HA ARG 14 HA ARG 14 2.703 17.481 -2.421 109 HB2 ARG 14 2HB ARG 14 2.123 19.764 -3.179 110 HB3 ARG 14 1HB ARG 14 3.824 19.384 -3.347 111 HG2 ARG 14 2HG ARG 14 3.468 18.968 -5.747 112 HG3 ARG 14 1HG ARG 14 1.775 19.406 -5.554 113 HD2 ARG 14 2HD ARG 14 4.157 21.188 -5.037 114 HD3 ARG 14 1HD ARG 14 3.069 21.281 -6.418 115 HE ARG 14 HE ARG 14 1.354 21.579 -4.437 116 HH11 ARG 14 1HH1 ARG 14 4.518 23.124 -4.880 117 HH12 ARG 14 2HH1 ARG 14 4.090 24.570 -4.100 118 HH21 ARG 14 1HH2 ARG 14 0.775 23.571 -3.363 119 HH22 ARG 14 2HH2 ARG 14 1.937 24.831 -3.228 120 H ASP 15 H ASP 15 1.511 16.314 -5.328 121 HA ASP 15 HA ASP 15 -1.255 17.074 -4.983 122 HB2 ASP 15 2HB ASP 15 0.034 14.928 -6.688 123 HB3 ASP 15 1HB ASP 15 -1.675 15.327 -6.721 124 H MET 16 H MET 16 0.863 14.787 -3.737 125 HA MET 16 HA MET 16 -1.119 12.781 -3.308 126 HB2 MET 16 2HB MET 16 1.817 12.910 -3.179 127 HB3 MET 16 1HB MET 16 1.079 11.553 -2.367 128 HG2 MET 16 2HG MET 16 -0.039 10.904 -4.280 129 HG3 MET 16 1HG MET 16 0.346 12.399 -5.136 130 HE1 MET 16 3HE MET 16 1.979 9.853 -7.304 131 HE2 MET 16 1HE MET 16 1.112 11.402 -7.170 132 HE3 MET 16 2HE MET 16 0.401 9.982 -6.472 133 H LYS 17 H LYS 17 -2.423 13.184 -1.800 134 HA LYS 17 HA LYS 17 -1.653 14.479 0.682 135 HB2 LYS 17 2HB LYS 17 -4.306 13.645 -0.446 136 HB3 LYS 17 1HB LYS 17 -4.076 14.494 1.077 137 HG2 LYS 17 2HG LYS 17 -3.280 16.426 -0.006 138 HG3 LYS 17 1HG LYS 17 -3.113 15.577 -1.546 139 HD2 LYS 17 2HD LYS 17 -5.078 17.016 -1.527 140 HD3 LYS 17 1HD LYS 17 -5.503 15.310 -1.675 141 HE2 LYS 17 2HE LYS 17 -6.055 15.243 0.711 142 HE3 LYS 17 1HE LYS 17 -5.627 16.947 0.860 143 HZ1 LYS 17 3HZ LYS 17 -7.403 17.466 -0.704 144 HZ2 LYS 17 1HZ LYS 17 -8.015 16.644 0.631 145 HZ3 LYS 17 2HZ LYS 17 -7.797 15.846 -0.836 146 H PHE 18 H PHE 18 -2.217 11.368 -0.596 147 HA PHE 18 HA PHE 18 -2.442 10.234 2.101 148 HB2 PHE 18 2HB PHE 18 -3.893 9.263 -0.367 149 HB3 PHE 18 1HB PHE 18 -3.965 8.544 1.231 150 HD1 PHE 18 1HD PHE 18 -5.286 9.593 2.996 151 HD2 PHE 18 2HD PHE 18 -5.123 11.254 -0.923 152 HE1 PHE 18 1HE PHE 18 -7.268 10.961 3.491 153 HE2 PHE 18 2HE PHE 18 -7.100 12.624 -0.434 154 HZ PHE 18 HZ PHE 18 -8.178 12.478 1.780 155 H CYS 19 H CYS 19 -1.396 8.286 2.314 156 HA CYS 19 HA CYS 19 0.174 7.377 0.046 157 HB2 CYS 19 2HB CYS 19 0.629 6.872 3.019 158 HB3 CYS 19 1HB CYS 19 1.696 6.398 1.704 159 H TYR 20 H TYR 20 -0.157 5.118 -0.455 160 HA TYR 20 HA TYR 20 -2.377 4.025 1.086 161 HB2 TYR 20 2HB TYR 20 -3.312 2.971 -0.896 162 HB3 TYR 20 1HB TYR 20 -3.211 4.708 -1.099 163 HD1 TYR 20 2HD TYR 20 -1.916 1.456 -2.215 164 HD2 TYR 20 1HD TYR 20 -1.772 5.657 -2.780 165 HE1 TYR 20 2HE TYR 20 -0.789 1.105 -4.361 166 HE2 TYR 20 1HE TYR 20 -0.663 5.355 -4.921 167 HH TYR 20 HH TYR 20 -0.524 2.397 -6.517 168 H HIS 21 H HIS 21 -2.536 1.955 1.428 169 HA HIS 21 HA HIS 21 -0.233 0.275 0.819 170 HB2 HIS 21 2HB HIS 21 -0.141 0.822 3.193 171 HB3 HIS 21 1HB HIS 21 -1.856 0.489 3.382 172 HD1 HIS 21 1HD HIS 21 -2.051 -1.594 4.777 173 HD2 HIS 21 2HD HIS 21 1.023 -1.806 2.003 174 HE1 HIS 21 1HE HIS 21 -1.092 -3.902 5.008 175 H ASN 22 H ASN 22 -1.098 -0.891 -0.816 176 HA ASN 22 HA ASN 22 -3.807 -1.912 -0.445 177 HB2 ASN 22 2HB ASN 22 -3.202 -0.642 -2.555 178 HB3 ASN 22 1HB ASN 22 -2.117 -1.960 -2.959 179 HD21 ASN 22 1HD2 ASN 22 -4.406 -0.969 -4.321 180 HD22 ASN 22 2HD2 ASN 22 -5.524 -2.281 -4.527 181 H THR 23 H THR 23 -4.065 -3.953 -0.082 182 HA THR 23 HA THR 23 -1.709 -5.535 0.428 183 HB THR 23 HB THR 23 -3.378 -7.188 1.362 184 HG1 THR 23 1HG THR 23 -5.204 -5.057 0.778 185 HG21 THR 23 3HG2 THR 23 -3.992 -5.768 3.283 186 HG22 THR 23 1HG2 THR 23 -3.596 -4.337 2.335 187 HG23 THR 23 2HG2 THR 23 -2.321 -5.470 2.780 188 H GLY 24 H GLY 24 -3.772 -5.043 -2.125 189 HA2 GLY 24 2HA GLY 24 -3.610 -5.908 -4.258 190 HA3 GLY 24 1HA GLY 24 -2.590 -7.208 -3.637 191 H MET 25 H MET 25 -3.619 -8.991 -4.269 192 HA MET 25 HA MET 25 -6.357 -9.329 -3.283 193 HB2 MET 25 2HB MET 25 -4.948 -10.778 -5.548 194 HB3 MET 25 1HB MET 25 -6.585 -11.084 -5.005 195 HG2 MET 25 2HG MET 25 -5.590 -8.550 -6.282 196 HG3 MET 25 1HG MET 25 -6.522 -9.812 -7.072 197 HE1 MET 25 3HE MET 25 -9.064 -10.378 -6.467 198 HE2 MET 25 1HE MET 25 -9.989 -9.529 -5.230 199 HE3 MET 25 2HE MET 25 -8.651 -10.573 -4.762 200 HA PRO 26 HA PRO 26 -4.340 -12.214 -0.621 201 HB2 PRO 26 2HB PRO 26 -6.280 -14.158 -0.358 202 HB3 PRO 26 1HB PRO 26 -6.277 -12.643 0.548 203 HG2 PRO 26 2HG PRO 26 -7.829 -13.392 -1.888 204 HG3 PRO 26 1HG PRO 26 -8.325 -12.408 -0.499 205 HD2 PRO 26 2HD PRO 26 -7.617 -11.339 -2.891 206 HD3 PRO 26 1HD PRO 26 -7.343 -10.505 -1.349 207 H PHE 27 H PHE 27 -2.732 -13.045 -1.731 208 HA PHE 27 HA PHE 27 -3.167 -15.584 -3.062 209 HB2 PHE 27 2HB PHE 27 -1.459 -13.308 -4.029 210 HB3 PHE 27 1HB PHE 27 -1.175 -14.964 -4.543 211 HD1 PHE 27 2HD PHE 27 -3.572 -16.104 -5.332 212 HD2 PHE 27 1HD PHE 27 -2.499 -11.998 -5.564 213 HE1 PHE 27 2HE PHE 27 -5.155 -15.802 -7.180 214 HE2 PHE 27 1HE PHE 27 -4.080 -11.691 -7.421 215 HZ PHE 27 HZ PHE 27 -5.408 -13.598 -8.234 216 H ARG 28 H ARG 28 -1.608 -17.062 -2.660 217 HA ARG 28 HA ARG 28 0.232 -16.350 -0.513 218 HB2 ARG 28 2HB ARG 28 -0.690 -19.043 -1.534 219 HB3 ARG 28 1HB ARG 28 0.482 -18.807 -0.248 220 HG2 ARG 28 2HG ARG 28 -1.233 -17.675 1.093 221 HG3 ARG 28 1HG ARG 28 -2.398 -17.953 -0.203 222 HD2 ARG 28 2HD ARG 28 -2.620 -19.616 1.566 223 HD3 ARG 28 1HD ARG 28 -2.114 -20.366 0.050 224 HE ARG 28 HE ARG 28 0.128 -19.693 1.640 225 HH11 ARG 28 1HH1 ARG 28 -2.452 -22.140 1.465 226 HH12 ARG 28 2HH1 ARG 28 -1.529 -23.311 2.281 227 HH21 ARG 28 1HH2 ARG 28 1.314 -21.272 2.682 228 HH22 ARG 28 2HH2 ARG 28 0.692 -22.838 2.967 229 H ASN 29 H ASN 29 2.425 -16.845 -0.717 230 HA ASN 29 HA ASN 29 4.453 -17.219 -1.659 231 HB2 ASN 29 2HB ASN 29 3.388 -19.356 -2.522 232 HB3 ASN 29 1HB ASN 29 3.002 -18.501 -4.003 233 HD21 ASN 29 1HD2 ASN 29 4.235 -19.835 -5.282 234 HD22 ASN 29 2HD2 ASN 29 5.956 -19.901 -5.227 235 H LEU 30 H LEU 30 2.475 -15.009 -2.410 236 HA LEU 30 HA LEU 30 4.024 -13.956 -4.664 237 HB2 LEU 30 2HB LEU 30 1.700 -14.416 -5.307 238 HB3 LEU 30 1HB LEU 30 1.137 -13.396 -3.998 239 HG LEU 30 HG LEU 30 2.320 -11.480 -5.087 240 HD11 LEU 30 1HD1 LEU 30 3.917 -12.687 -6.426 241 HD12 LEU 30 2HD1 LEU 30 2.902 -11.676 -7.450 242 HD13 LEU 30 3HD1 LEU 30 2.616 -13.414 -7.370 243 HD21 LEU 30 3HD2 LEU 30 -0.076 -11.769 -5.307 244 HD22 LEU 30 1HD2 LEU 30 0.159 -12.840 -6.690 245 HD23 LEU 30 2HD2 LEU 30 0.617 -11.136 -6.797 246 H LYS 31 H LYS 31 5.403 -12.602 -3.756 247 HA LYS 31 HA LYS 31 4.443 -10.817 -1.648 248 HB2 LYS 31 2HB LYS 31 6.498 -12.255 -1.250 249 HB3 LYS 31 1HB LYS 31 7.305 -11.325 -2.500 250 HG2 LYS 31 2HG LYS 31 8.011 -10.433 -0.424 251 HG3 LYS 31 1HG LYS 31 6.857 -9.277 -1.091 252 HD2 LYS 31 2HD LYS 31 5.094 -10.210 0.340 253 HD3 LYS 31 1HD LYS 31 6.238 -11.379 0.990 254 HE2 LYS 31 2HE LYS 31 5.987 -9.561 2.557 255 HE3 LYS 31 1HE LYS 31 7.603 -9.508 1.861 256 HZ1 LYS 31 3HZ LYS 31 6.655 -7.306 1.959 257 HZ2 LYS 31 1HZ LYS 31 5.299 -7.812 1.099 258 HZ3 LYS 31 2HZ LYS 31 6.801 -7.766 0.339 259 H LEU 32 H LEU 32 3.369 -9.373 -3.061 260 HA LEU 32 HA LEU 32 5.196 -7.682 -4.597 261 HB2 LEU 32 2HB LEU 32 2.327 -8.384 -5.180 262 HB3 LEU 32 1HB LEU 32 3.124 -7.003 -5.909 263 HG LEU 32 HG LEU 32 3.845 -9.909 -6.278 264 HD11 LEU 32 1HD1 LEU 32 2.628 -7.867 -8.131 265 HD12 LEU 32 2HD1 LEU 32 1.802 -9.253 -7.418 266 HD13 LEU 32 3HD1 LEU 32 3.110 -9.501 -8.576 267 HD21 LEU 32 3HD2 LEU 32 5.855 -8.548 -6.362 268 HD22 LEU 32 1HD2 LEU 32 5.063 -7.413 -7.458 269 HD23 LEU 32 2HD2 LEU 32 5.402 -9.057 -7.986 270 H ILE 33 H ILE 33 5.264 -5.653 -3.994 271 HA ILE 33 HA ILE 33 3.472 -4.869 -1.872 272 HB ILE 33 HB ILE 33 6.216 -3.988 -2.667 273 HG12 ILE 33 2HG1 ILE 33 5.879 -5.710 -0.949 274 HG13 ILE 33 1HG1 ILE 33 6.685 -4.289 -0.296 275 HG21 ILE 33 1HG2 ILE 33 6.130 -2.009 -1.226 276 HG22 ILE 33 2HG2 ILE 33 4.407 -2.270 -0.981 277 HG23 ILE 33 3HG2 ILE 33 5.012 -1.869 -2.585 278 HD11 ILE 33 3HD1 ILE 33 5.060 -5.020 1.308 279 HD12 ILE 33 1HD1 ILE 33 3.790 -5.071 0.078 280 HD13 ILE 33 2HD1 ILE 33 4.459 -3.533 0.559 281 H LEU 34 H LEU 34 1.971 -3.476 -2.057 282 HA LEU 34 HA LEU 34 1.971 -1.680 -4.356 283 HB2 LEU 34 2HB LEU 34 -0.409 -2.929 -3.002 284 HB3 LEU 34 1HB LEU 34 -0.514 -1.627 -4.175 285 HG LEU 34 HG LEU 34 0.570 -3.290 -5.811 286 HD11 LEU 34 1HD1 LEU 34 0.207 -5.646 -5.343 287 HD12 LEU 34 2HD1 LEU 34 -0.357 -5.249 -3.721 288 HD13 LEU 34 3HD1 LEU 34 1.317 -4.931 -4.174 289 HD21 LEU 34 3HD2 LEU 34 -2.202 -3.796 -4.753 290 HD22 LEU 34 1HD2 LEU 34 -1.604 -4.273 -6.344 291 HD23 LEU 34 2HD2 LEU 34 -1.743 -2.561 -5.920 292 H GLN 35 H GLN 35 3.289 -0.511 -2.777 293 HA GLN 35 HA GLN 35 1.542 1.103 -1.084 294 HB2 GLN 35 2HB GLN 35 4.425 0.352 -0.600 295 HB3 GLN 35 1HB GLN 35 3.542 1.537 0.346 296 HG2 GLN 35 2HG GLN 35 1.972 -0.216 1.021 297 HG3 GLN 35 1HG GLN 35 2.919 -1.405 0.135 298 HE21 GLN 35 1HE2 GLN 35 5.446 0.011 0.953 299 HE22 GLN 35 2HE2 GLN 35 5.660 -0.447 2.602 300 H GLY 36 H GLY 36 1.296 2.966 -1.975 301 HA2 GLY 36 2HA GLY 36 3.616 4.374 -2.998 302 HA3 GLY 36 1HA GLY 36 2.245 4.154 -4.095 303 H CYS 37 H CYS 37 2.091 6.468 -4.089 304 HA CYS 37 HA CYS 37 0.567 7.326 -1.781 305 HB2 CYS 37 2HB CYS 37 2.586 9.013 -3.286 306 HB3 CYS 37 1HB CYS 37 1.433 9.627 -2.110 307 H SER 38 H SER 38 -1.090 8.823 -2.216 308 HA SER 38 HA SER 38 -1.939 8.821 -4.999 309 HB2 SER 38 2HB SER 38 -2.973 6.898 -4.038 310 HB3 SER 38 1HB SER 38 -3.477 7.784 -2.610 311 HG SER 38 HG SER 38 -4.658 7.481 -4.998 312 H SER 39 H SER 39 -3.307 10.492 -5.536 313 HA SER 39 HA SER 39 -3.131 12.815 -3.874 314 HB2 SER 39 2HB SER 39 -2.719 13.017 -6.234 315 HB3 SER 39 1HB SER 39 -4.263 12.321 -6.662 316 HG SER 39 HG SER 39 -3.823 14.698 -5.187 317 H SER 40 H SER 40 -5.585 10.586 -5.025 318 HA SER 40 HA SER 40 -7.280 11.416 -2.855 319 HB2 SER 40 2HB SER 40 -9.273 11.331 -4.397 320 HB3 SER 40 1HB SER 40 -8.183 12.694 -4.675 321 HG SER 40 HG SER 40 -7.372 10.654 -6.179 322 H CYS 41 H CYS 41 -7.078 9.625 -1.767 323 HA CYS 41 HA CYS 41 -6.930 7.064 -3.135 324 HB2 CYS 41 2HB CYS 41 -5.278 7.824 -1.372 325 HB3 CYS 41 1HB CYS 41 -6.575 7.675 -0.200 326 H SER 42 H SER 42 -8.276 5.288 -2.451 327 HA SER 42 HA SER 42 -10.851 6.138 -1.354 328 HB2 SER 42 2HB SER 42 -10.976 5.350 -3.649 329 HB3 SER 42 1HB SER 42 -10.143 3.856 -3.184 330 HG SER 42 HG SER 42 -12.462 3.747 -3.399 331 H GLU 43 H GLU 43 -10.876 5.645 0.633 332 HA GLU 43 HA GLU 43 -9.256 3.675 1.866 333 HB2 GLU 43 2HB GLU 43 -11.653 5.042 3.081 334 HB3 GLU 43 1HB GLU 43 -10.390 4.185 3.948 335 HG2 GLU 43 2HG GLU 43 -9.572 6.261 4.235 336 HG3 GLU 43 1HG GLU 43 -8.924 5.926 2.624 337 H THR 44 H THR 44 -9.538 1.637 1.550 338 HA THR 44 HA THR 44 -12.194 0.530 2.043 339 HB THR 44 HB THR 44 -11.598 -1.344 0.479 340 HG1 THR 44 1HG THR 44 -9.719 0.115 -0.863 341 HG21 THR 44 3HG2 THR 44 -11.967 -0.119 -1.632 342 HG22 THR 44 1HG2 THR 44 -11.603 1.395 -0.806 343 HG23 THR 44 2HG2 THR 44 -13.028 0.463 -0.349 344 H GLU 45 H GLU 45 -11.490 -2.138 2.319 345 HA GLU 45 HA GLU 45 -9.533 -1.991 4.465 346 HB2 GLU 45 2HB GLU 45 -11.840 -3.101 4.684 347 HB3 GLU 45 1HB GLU 45 -11.185 -4.389 3.680 348 HG2 GLU 45 2HG GLU 45 -10.995 -5.035 5.954 349 HG3 GLU 45 1HG GLU 45 -9.381 -4.683 5.333 350 H ASN 46 H ASN 46 -9.903 -2.803 1.249 351 HA ASN 46 HA ASN 46 -7.887 -4.850 1.044 352 HB2 ASN 46 2HB ASN 46 -9.812 -4.670 -0.528 353 HB3 ASN 46 1HB ASN 46 -9.180 -3.128 -1.084 354 HD21 ASN 46 1HD2 ASN 46 -7.238 -5.991 -0.347 355 HD22 ASN 46 2HD2 ASN 46 -6.749 -6.249 -1.973 356 H ASN 47 H ASN 47 -8.246 -1.424 0.364 357 HA ASN 47 HA ASN 47 -5.347 -1.101 0.332 358 HB2 ASN 47 2HB ASN 47 -6.165 -0.752 -1.917 359 HB3 ASN 47 1HB ASN 47 -7.467 0.265 -1.313 360 HD21 ASN 47 1HD2 ASN 47 -7.015 2.379 -0.713 361 HD22 ASN 47 2HD2 ASN 47 -5.535 3.161 -1.082 362 H LYS 48 H LYS 48 -4.755 0.020 1.976 363 HA LYS 48 HA LYS 48 -6.740 1.607 3.406 364 HB2 LYS 48 2HB LYS 48 -3.942 0.853 4.234 365 HB3 LYS 48 1HB LYS 48 -5.171 1.599 5.254 366 HG2 LYS 48 2HG LYS 48 -5.114 -1.176 4.125 367 HG3 LYS 48 1HG LYS 48 -4.961 -0.680 5.816 368 HD2 LYS 48 2HD LYS 48 -7.425 -0.375 4.100 369 HD3 LYS 48 1HD LYS 48 -7.170 -1.636 5.297 370 HE2 LYS 48 2HE LYS 48 -7.046 0.075 7.054 371 HE3 LYS 48 1HE LYS 48 -7.318 1.328 5.842 372 HZ1 LYS 48 3HZ LYS 48 -9.432 0.294 5.313 373 HZ2 LYS 48 1HZ LYS 48 -9.407 0.716 6.955 374 HZ3 LYS 48 2HZ LYS 48 -9.174 -0.887 6.482 375 H CYS 49 H CYS 49 -6.382 3.703 3.840 376 HA CYS 49 HA CYS 49 -4.251 5.004 2.279 377 HB2 CYS 49 2HB CYS 49 -6.998 6.131 2.774 378 HB3 CYS 49 1HB CYS 49 -5.750 6.791 1.733 379 H CYS 50 H CYS 50 -2.897 5.929 3.629 380 HA CYS 50 HA CYS 50 -3.987 7.102 6.063 381 HB2 CYS 50 2HB CYS 50 -1.627 6.712 6.960 382 HB3 CYS 50 1HB CYS 50 -2.623 5.277 6.734 383 H SER 51 H SER 51 -3.065 9.144 6.672 384 HA SER 51 HA SER 51 -1.898 10.541 4.375 385 HB2 SER 51 2HB SER 51 -3.177 12.521 5.376 386 HB3 SER 51 1HB SER 51 -4.133 11.261 4.587 387 HG SER 51 HG SER 51 -4.910 10.621 6.488 388 H THR 52 H THR 52 -0.613 9.247 6.780 389 HA THR 52 HA THR 52 0.623 11.652 7.923 390 HB THR 52 HB THR 52 0.678 8.969 9.221 391 HG1 THR 52 1HG THR 52 -1.387 10.913 9.076 392 HG21 THR 52 3HG2 THR 52 0.704 11.796 10.292 393 HG22 THR 52 1HG2 THR 52 2.113 10.757 10.095 394 HG23 THR 52 2HG2 THR 52 0.865 10.339 11.269 395 H ASP 53 H ASP 53 2.862 11.535 8.188 396 HA ASP 53 HA ASP 53 4.163 10.304 5.979 397 HB2 ASP 53 2HB ASP 53 6.244 11.279 6.743 398 HB3 ASP 53 1HB ASP 53 4.964 12.469 6.921 399 H ARG 54 H ARG 54 5.449 8.632 5.800 400 HA ARG 54 HA ARG 54 6.350 6.646 6.152 401 HB2 ARG 54 2HB ARG 54 6.596 7.686 8.970 402 HB3 ARG 54 1HB ARG 54 7.363 6.209 8.403 403 HG2 ARG 54 2HG ARG 54 8.709 7.409 6.854 404 HG3 ARG 54 1HG ARG 54 7.798 8.884 7.127 405 HD2 ARG 54 2HD ARG 54 9.970 8.898 8.293 406 HD3 ARG 54 1HD ARG 54 8.596 9.073 9.383 407 HE ARG 54 HE ARG 54 9.968 6.496 8.985 408 HH11 ARG 54 1HH1 ARG 54 8.831 9.074 11.173 409 HH12 ARG 54 2HH1 ARG 54 9.143 8.186 12.580 410 HH21 ARG 54 1HH2 ARG 54 10.407 5.314 10.932 411 HH22 ARG 54 2HH2 ARG 54 10.076 6.008 12.448 412 H CYS 55 H CYS 55 3.314 7.125 6.741 413 HA CYS 55 HA CYS 55 2.543 5.332 8.764 414 HB2 CYS 55 2HB CYS 55 0.316 5.463 7.749 415 HB3 CYS 55 1HB CYS 55 1.054 7.053 7.942 416 H ASN 56 H ASN 56 3.193 4.799 5.342 417 HA ASN 56 HA ASN 56 2.071 2.161 5.504 418 HB2 ASN 56 2HB ASN 56 2.421 1.983 3.076 419 HB3 ASN 56 1HB ASN 56 1.594 3.476 3.486 420 HD21 ASN 56 1HD2 ASN 56 2.850 3.015 1.094 421 HD22 ASN 56 2HD2 ASN 56 4.220 4.050 0.921 422 H LYS 57 H LYS 57 3.798 1.996 7.183 423 HA LYS 57 HA LYS 57 6.382 1.160 6.211 424 HB2 LYS 57 2HB LYS 57 6.842 0.814 8.710 425 HB3 LYS 57 1HB LYS 57 6.583 2.463 8.169 426 HG2 LYS 57 2HG LYS 57 4.227 2.293 8.966 427 HG3 LYS 57 1HG LYS 57 4.611 0.698 9.604 428 HD2 LYS 57 2HD LYS 57 6.006 3.256 10.410 429 HD3 LYS 57 1HD LYS 57 4.682 2.523 11.308 430 HE2 LYS 57 2HE LYS 57 7.365 1.245 10.762 431 HE3 LYS 57 1HE LYS 57 6.880 2.002 12.273 432 HZ1 LYS 57 3HZ LYS 57 6.615 -0.382 12.432 433 HZ2 LYS 57 1HZ LYS 57 5.648 -0.418 11.062 434 HZ3 LYS 57 2HZ LYS 57 5.095 0.327 12.449 Start of MODEL 2 1 H1 LEU 1 1HT LEU 1 3.195 15.433 2.291 2 H2 LEU 1 2HT LEU 1 3.828 14.777 0.860 3 H3 LEU 1 3HT LEU 1 4.860 15.420 2.012 4 HA LEU 1 HA LEU 1 4.361 13.752 3.552 5 HB2 LEU 1 2HB LEU 1 2.442 12.856 1.450 6 HB3 LEU 1 1HB LEU 1 3.140 11.709 2.567 7 HG LEU 1 HG LEU 1 1.357 14.045 3.268 8 HD11 LEU 1 2HD1 LEU 1 1.020 11.068 3.447 9 HD12 LEU 1 3HD1 LEU 1 0.263 12.118 2.252 10 HD13 LEU 1 1HD1 LEU 1 -0.162 12.278 3.961 11 HD21 LEU 1 1HD2 LEU 1 2.775 12.024 4.999 12 HD22 LEU 1 2HD2 LEU 1 1.487 13.086 5.555 13 HD23 LEU 1 3HD2 LEU 1 3.021 13.772 5.020 14 H LYS 2 H LYS 2 5.824 12.306 3.732 15 HA LYS 2 HA LYS 2 6.986 11.238 1.317 16 HB2 LYS 2 2HB LYS 2 9.011 10.774 2.770 17 HB3 LYS 2 1HB LYS 2 8.668 12.471 2.505 18 HG2 LYS 2 2HG LYS 2 7.626 12.597 4.732 19 HG3 LYS 2 1HG LYS 2 8.028 10.898 4.996 20 HD2 LYS 2 2HD LYS 2 10.383 11.386 4.832 21 HD3 LYS 2 1HD LYS 2 10.044 13.061 4.406 22 HE2 LYS 2 2HE LYS 2 8.959 13.352 6.619 23 HE3 LYS 2 1HE LYS 2 9.427 11.704 7.029 24 HZ1 LYS 2 3HZ LYS 2 11.742 12.337 6.793 25 HZ2 LYS 2 1HZ LYS 2 10.969 13.336 7.914 26 HZ3 LYS 2 2HZ LYS 2 11.299 13.913 6.376 27 H CYS 3 H CYS 3 6.651 9.105 0.964 28 HA CYS 3 HA CYS 3 5.772 7.479 3.244 29 HB2 CYS 3 2HB CYS 3 4.406 7.287 0.548 30 HB3 CYS 3 1HB CYS 3 3.875 6.644 2.104 31 H PHE 4 H PHE 4 5.853 5.112 2.685 32 HA PHE 4 HA PHE 4 8.384 4.550 1.398 33 HB2 PHE 4 2HB PHE 4 6.430 2.685 2.768 34 HB3 PHE 4 1HB PHE 4 8.049 2.263 2.233 35 HD1 PHE 4 1HD PHE 4 9.995 3.152 3.405 36 HD2 PHE 4 2HD PHE 4 6.059 3.877 4.784 37 HE1 PHE 4 1HE PHE 4 10.891 3.823 5.584 38 HE2 PHE 4 2HE PHE 4 6.946 4.547 6.964 39 HZ PHE 4 HZ PHE 4 9.371 4.521 7.370 40 H GLN 5 H GLN 5 7.844 5.021 -0.717 41 HA GLN 5 HA GLN 5 5.657 3.669 -2.006 42 HB2 GLN 5 2HB GLN 5 6.388 5.876 -2.732 43 HB3 GLN 5 1HB GLN 5 7.939 5.221 -3.211 44 HG2 GLN 5 2HG GLN 5 6.750 3.806 -4.877 45 HG3 GLN 5 1HG GLN 5 5.254 4.632 -4.442 46 HE21 GLN 5 1HE2 GLN 5 8.410 6.156 -4.662 47 HE22 GLN 5 2HE2 GLN 5 8.031 7.162 -6.012 48 H HIS 6 H HIS 6 9.194 3.224 -2.176 49 HA HIS 6 HA HIS 6 8.570 0.592 -3.343 50 HB2 HIS 6 2HB HIS 6 10.189 2.106 -4.602 51 HB3 HIS 6 1HB HIS 6 11.320 1.888 -3.269 52 HD1 HIS 6 1HD HIS 6 12.989 0.075 -3.737 53 HD2 HIS 6 2HD HIS 6 9.383 -0.572 -5.687 54 HE1 HIS 6 1HE HIS 6 13.293 -2.039 -5.084 55 H GLY 7 H GLY 7 8.428 1.495 -0.534 56 HA2 GLY 7 2HA GLY 7 8.667 0.133 1.409 57 HA3 GLY 7 1HA GLY 7 10.048 -0.657 0.647 58 H LYS 8 H LYS 8 10.837 2.097 -0.220 59 HA LYS 8 HA LYS 8 12.118 2.939 2.264 60 HB2 LYS 8 2HB LYS 8 12.836 3.661 -0.592 61 HB3 LYS 8 1HB LYS 8 13.748 4.093 0.845 62 HG2 LYS 8 2HG LYS 8 13.360 1.320 -0.272 63 HG3 LYS 8 1HG LYS 8 14.841 2.275 -0.307 64 HD2 LYS 8 2HD LYS 8 14.923 2.214 2.155 65 HD3 LYS 8 1HD LYS 8 13.443 1.259 2.172 66 HE2 LYS 8 2HE LYS 8 15.347 -0.205 2.445 67 HE3 LYS 8 1HE LYS 8 14.574 -0.499 0.900 68 HZ1 LYS 8 3HZ LYS 8 16.986 -0.440 0.734 69 HZ2 LYS 8 1HZ LYS 8 17.006 1.155 1.272 70 HZ3 LYS 8 2HZ LYS 8 16.282 0.764 -0.207 71 H VAL 9 H VAL 9 11.819 5.039 2.930 72 HA VAL 9 HA VAL 9 9.421 6.208 1.946 73 HB VAL 9 HB VAL 9 9.689 6.270 4.332 74 HG11 VAL 9 1HG1 VAL 9 12.193 7.882 3.910 75 HG12 VAL 9 2HG1 VAL 9 12.080 6.238 4.557 76 HG13 VAL 9 3HG1 VAL 9 11.393 7.590 5.455 77 HG21 VAL 9 3HG2 VAL 9 9.972 9.004 3.152 78 HG22 VAL 9 1HG2 VAL 9 9.413 8.685 4.790 79 HG23 VAL 9 2HG2 VAL 9 8.472 8.115 3.411 80 H VAL 10 H VAL 10 9.196 7.467 0.392 81 HA VAL 10 HA VAL 10 11.406 9.204 -0.384 82 HB VAL 10 HB VAL 10 10.718 8.979 -2.715 83 HG11 VAL 10 1HG1 VAL 10 11.405 6.676 -3.129 84 HG12 VAL 10 2HG1 VAL 10 11.127 6.288 -1.430 85 HG13 VAL 10 3HG1 VAL 10 12.391 7.433 -1.877 86 HG21 VAL 10 3HG2 VAL 10 8.333 8.571 -2.385 87 HG22 VAL 10 1HG2 VAL 10 8.685 6.977 -1.723 88 HG23 VAL 10 2HG2 VAL 10 9.043 7.330 -3.416 89 H THR 11 H THR 11 10.773 11.204 -1.209 90 HA THR 11 HA THR 11 8.466 12.299 -0.011 91 HB THR 11 HB THR 11 10.304 13.477 -2.114 92 HG1 THR 11 1HG THR 11 11.665 13.385 -0.502 93 HG21 THR 11 3HG2 THR 11 8.425 14.797 -0.143 94 HG22 THR 11 1HG2 THR 11 8.185 14.701 -1.887 95 HG23 THR 11 2HG2 THR 11 9.526 15.641 -1.232 96 H CYS 12 H CYS 12 6.487 12.085 -0.761 97 HA CYS 12 HA CYS 12 5.882 11.239 -3.435 98 HB2 CYS 12 2HB CYS 12 4.025 12.216 -1.260 99 HB3 CYS 12 1HB CYS 12 3.650 11.163 -2.626 100 H HIS 13 H HIS 13 4.490 12.585 -4.856 101 HA HIS 13 HA HIS 13 5.489 15.240 -4.974 102 HB2 HIS 13 2HB HIS 13 4.716 13.777 -6.930 103 HB3 HIS 13 1HB HIS 13 3.070 14.201 -6.477 104 HD1 HIS 13 1HD HIS 13 2.175 16.247 -7.801 105 HD2 HIS 13 2HD HIS 13 6.329 16.202 -7.407 106 HE1 HIS 13 1HE HIS 13 2.995 18.197 -9.042 107 H ARG 14 H ARG 14 4.060 17.159 -5.006 108 HA ARG 14 HA ARG 14 2.744 17.395 -2.516 109 HB2 ARG 14 2HB ARG 14 2.148 19.686 -3.198 110 HB3 ARG 14 1HB ARG 14 3.846 19.307 -3.428 111 HG2 ARG 14 2HG ARG 14 3.475 19.003 -5.809 112 HG3 ARG 14 1HG ARG 14 1.754 19.313 -5.585 113 HD2 ARG 14 2HD ARG 14 2.927 21.278 -6.418 114 HD3 ARG 14 1HD ARG 14 2.241 21.573 -4.818 115 HE ARG 14 HE ARG 14 4.793 20.796 -4.317 116 HH11 ARG 14 1HH1 ARG 14 3.371 23.329 -6.353 117 HH12 ARG 14 2HH1 ARG 14 4.730 24.354 -6.229 118 HH21 ARG 14 1HH2 ARG 14 6.636 22.250 -4.138 119 HH22 ARG 14 2HH2 ARG 14 6.608 23.728 -4.984 120 H ASP 15 H ASP 15 1.491 16.119 -5.302 121 HA ASP 15 HA ASP 15 -1.260 16.926 -4.882 122 HB2 ASP 15 2HB ASP 15 -0.048 14.721 -6.562 123 HB3 ASP 15 1HB ASP 15 -1.768 15.070 -6.499 124 H MET 16 H MET 16 0.917 14.470 -3.949 125 HA MET 16 HA MET 16 -1.007 12.566 -3.194 126 HB2 MET 16 2HB MET 16 1.964 12.740 -2.855 127 HB3 MET 16 1HB MET 16 1.059 11.410 -2.165 128 HG2 MET 16 2HG MET 16 1.931 10.727 -4.219 129 HG3 MET 16 1HG MET 16 0.186 10.874 -4.354 130 HE1 MET 16 3HE MET 16 0.198 10.769 -6.813 131 HE2 MET 16 1HE MET 16 1.936 10.486 -6.789 132 HE3 MET 16 2HE MET 16 1.250 11.668 -7.928 133 H LYS 17 H LYS 17 -2.300 12.979 -1.739 134 HA LYS 17 HA LYS 17 -1.620 14.503 0.637 135 HB2 LYS 17 2HB LYS 17 -3.585 15.062 -0.801 136 HB3 LYS 17 1HB LYS 17 -4.230 13.481 -0.462 137 HG2 LYS 17 2HG LYS 17 -4.526 14.025 1.855 138 HG3 LYS 17 1HG LYS 17 -3.760 15.601 1.616 139 HD2 LYS 17 2HD LYS 17 -5.522 16.258 0.091 140 HD3 LYS 17 1HD LYS 17 -6.265 14.665 0.216 141 HE2 LYS 17 2HE LYS 17 -7.427 16.333 1.589 142 HE3 LYS 17 1HE LYS 17 -6.732 15.044 2.567 143 HZ1 LYS 17 3HZ LYS 17 -6.436 17.301 3.441 144 HZ2 LYS 17 1HZ LYS 17 -5.441 17.686 2.151 145 HZ3 LYS 17 2HZ LYS 17 -4.982 16.482 3.257 146 H PHE 18 H PHE 18 -2.017 11.263 -0.433 147 HA PHE 18 HA PHE 18 -2.199 10.334 2.340 148 HB2 PHE 18 2HB PHE 18 -3.750 9.182 0.010 149 HB3 PHE 18 1HB PHE 18 -3.689 8.518 1.633 150 HD1 PHE 18 2HD PHE 18 -5.035 11.165 -0.501 151 HD2 PHE 18 1HD PHE 18 -4.955 9.543 3.435 152 HE1 PHE 18 2HE PHE 18 -6.991 12.496 0.070 153 HE2 PHE 18 1HE PHE 18 -6.932 10.881 4.023 154 HZ PHE 18 HZ PHE 18 -7.958 12.362 2.346 155 H CYS 19 H CYS 19 -1.055 8.493 2.731 156 HA CYS 19 HA CYS 19 0.597 7.402 0.580 157 HB2 CYS 19 2HB CYS 19 0.559 6.583 3.502 158 HB3 CYS 19 1HB CYS 19 1.822 6.322 2.309 159 H TYR 20 H TYR 20 0.075 5.240 -0.095 160 HA TYR 20 HA TYR 20 -2.236 4.189 1.334 161 HB2 TYR 20 2HB TYR 20 -3.149 3.203 -0.702 162 HB3 TYR 20 1HB TYR 20 -2.971 4.938 -0.871 163 HD1 TYR 20 2HD TYR 20 -1.353 5.849 -2.426 164 HD2 TYR 20 1HD TYR 20 -1.865 1.669 -2.043 165 HE1 TYR 20 2HE TYR 20 -0.167 5.521 -4.540 166 HE2 TYR 20 1HE TYR 20 -0.677 1.315 -4.155 167 HH TYR 20 HH TYR 20 -0.187 2.642 -6.217 168 H HIS 21 H HIS 21 -2.427 2.147 1.740 169 HA HIS 21 HA HIS 21 -0.068 0.459 1.375 170 HB2 HIS 21 2HB HIS 21 -0.429 1.106 3.725 171 HB3 HIS 21 1HB HIS 21 -2.108 0.593 3.621 172 HD1 HIS 21 1HD HIS 21 -2.527 -1.733 4.458 173 HD2 HIS 21 2HD HIS 21 1.381 -1.104 3.255 174 HE1 HIS 21 1HE HIS 21 -1.338 -3.878 4.923 175 H ASN 22 H ASN 22 -0.461 -1.262 0.162 176 HA ASN 22 HA ASN 22 -3.261 -1.935 -0.333 177 HB2 ASN 22 2HB ASN 22 -2.076 -1.008 -2.296 178 HB3 ASN 22 1HB ASN 22 -0.906 -2.320 -2.213 179 HD21 ASN 22 1HD2 ASN 22 -4.116 -1.402 -2.952 180 HD22 ASN 22 2HD2 ASN 22 -4.610 -2.873 -3.704 181 H THR 23 H THR 23 -3.861 -3.870 0.246 182 HA THR 23 HA THR 23 -1.834 -5.699 1.212 183 HB THR 23 HB THR 23 -3.810 -6.952 2.187 184 HG1 THR 23 1HG THR 23 -5.189 -4.581 1.380 185 HG21 THR 23 3HG2 THR 23 -2.444 -5.414 3.483 186 HG22 THR 23 1HG2 THR 23 -4.137 -5.355 4.001 187 HG23 THR 23 2HG2 THR 23 -3.475 -4.075 2.972 188 H GLY 24 H GLY 24 -1.108 -6.296 -0.792 189 HA2 GLY 24 2HA GLY 24 -2.791 -7.413 -2.790 190 HA3 GLY 24 1HA GLY 24 -1.033 -7.469 -2.742 191 H MET 25 H MET 25 -3.459 -9.339 -3.091 192 HA MET 25 HA MET 25 -3.512 -11.343 -1.210 193 HB2 MET 25 2HB MET 25 -3.887 -11.605 -4.202 194 HB3 MET 25 1HB MET 25 -4.391 -12.790 -3.016 195 HG2 MET 25 2HG MET 25 -6.316 -11.587 -3.685 196 HG3 MET 25 1HG MET 25 -5.917 -11.049 -2.058 197 HE1 MET 25 3HE MET 25 -7.512 -8.966 -2.327 198 HE2 MET 25 1HE MET 25 -7.934 -9.503 -3.953 199 HE3 MET 25 2HE MET 25 -7.438 -7.832 -3.678 200 HA PRO 26 HA PRO 26 0.286 -13.543 -1.791 201 HB2 PRO 26 2HB PRO 26 -0.351 -15.948 -0.808 202 HB3 PRO 26 1HB PRO 26 -0.272 -14.521 0.237 203 HG2 PRO 26 2HG PRO 26 -2.660 -15.791 -1.041 204 HG3 PRO 26 1HG PRO 26 -2.463 -15.293 0.659 205 HD2 PRO 26 2HD PRO 26 -3.758 -13.787 -1.176 206 HD3 PRO 26 1HD PRO 26 -2.813 -13.063 0.139 207 H PHE 27 H PHE 27 0.804 -13.864 -3.847 208 HA PHE 27 HA PHE 27 -0.402 -16.124 -5.248 209 HB2 PHE 27 2HB PHE 27 1.028 -13.695 -6.321 210 HB3 PHE 27 1HB PHE 27 0.490 -15.044 -7.321 211 HD1 PHE 27 1HD PHE 27 -1.985 -15.437 -7.525 212 HD2 PHE 27 2HD PHE 27 -0.363 -11.944 -5.745 213 HE1 PHE 27 1HE PHE 27 -4.127 -14.275 -7.871 214 HE2 PHE 27 2HE PHE 27 -2.498 -10.767 -6.081 215 HZ PHE 27 HZ PHE 27 -4.384 -11.932 -7.144 216 H ARG 28 H ARG 28 1.043 -17.603 -6.089 217 HA ARG 28 HA ARG 28 3.388 -17.971 -4.588 218 HB2 ARG 28 2HB ARG 28 2.619 -19.290 -7.186 219 HB3 ARG 28 1HB ARG 28 3.884 -19.848 -6.099 220 HG2 ARG 28 2HG ARG 28 0.925 -19.749 -5.525 221 HG3 ARG 28 1HG ARG 28 1.899 -21.188 -5.813 222 HD2 ARG 28 2HD ARG 28 3.191 -20.704 -3.784 223 HD3 ARG 28 1HD ARG 28 2.198 -19.273 -3.508 224 HE ARG 28 HE ARG 28 0.903 -21.865 -3.711 225 HH11 ARG 28 1HH1 ARG 28 1.834 -19.095 -1.684 226 HH12 ARG 28 2HH1 ARG 28 0.879 -19.572 -0.367 227 HH21 ARG 28 1HH2 ARG 28 -0.434 -22.496 -1.862 228 HH22 ARG 28 2HH2 ARG 28 -0.430 -21.541 -0.467 229 H ASN 29 H ASN 29 5.050 -16.754 -4.666 230 HA ASN 29 HA ASN 29 6.905 -15.733 -5.296 231 HB2 ASN 29 2HB ASN 29 6.329 -16.910 -7.996 232 HB3 ASN 29 1HB ASN 29 7.798 -15.995 -7.634 233 HD21 ASN 29 1HD2 ASN 29 9.295 -16.923 -6.162 234 HD22 ASN 29 2HD2 ASN 29 9.292 -18.618 -5.866 235 H LEU 30 H LEU 30 4.131 -14.613 -5.599 236 HA LEU 30 HA LEU 30 5.134 -12.139 -6.632 237 HB2 LEU 30 2HB LEU 30 3.968 -13.258 -8.559 238 HB3 LEU 30 1HB LEU 30 2.487 -13.236 -7.640 239 HG LEU 30 HG LEU 30 3.941 -10.681 -8.390 240 HD11 LEU 30 1HD1 LEU 30 3.466 -11.920 -10.426 241 HD12 LEU 30 2HD1 LEU 30 2.422 -10.506 -10.279 242 HD13 LEU 30 3HD1 LEU 30 1.786 -12.112 -9.922 243 HD21 LEU 30 3HD2 LEU 30 1.734 -9.658 -8.133 244 HD22 LEU 30 1HD2 LEU 30 2.214 -10.475 -6.644 245 HD23 LEU 30 2HD2 LEU 30 1.040 -11.227 -7.725 246 H LYS 31 H LYS 31 5.175 -11.372 -4.664 247 HA LYS 31 HA LYS 31 2.690 -11.276 -3.180 248 HB2 LYS 31 2HB LYS 31 4.633 -11.786 -1.818 249 HB3 LYS 31 1HB LYS 31 5.502 -10.400 -2.458 250 HG2 LYS 31 2HG LYS 31 4.694 -10.011 -0.173 251 HG3 LYS 31 1HG LYS 31 3.991 -8.883 -1.329 252 HD2 LYS 31 2HD LYS 31 1.939 -10.288 -1.379 253 HD3 LYS 31 1HD LYS 31 2.655 -11.326 -0.142 254 HE2 LYS 31 2HE LYS 31 2.793 -9.419 1.378 255 HE3 LYS 31 1HE LYS 31 2.112 -8.373 0.140 256 HZ1 LYS 31 3HZ LYS 31 0.042 -9.684 0.254 257 HZ2 LYS 31 1HZ LYS 31 0.466 -9.035 1.738 258 HZ3 LYS 31 2HZ LYS 31 0.725 -10.656 1.442 259 H LEU 32 H LEU 32 1.381 -9.820 -3.886 260 HA LEU 32 HA LEU 32 2.304 -7.550 -5.322 261 HB2 LEU 32 2HB LEU 32 0.287 -8.652 -5.999 262 HB3 LEU 32 1HB LEU 32 -0.456 -8.397 -4.438 263 HG LEU 32 HG LEU 32 -0.404 -5.932 -4.898 264 HD11 LEU 32 1HD1 LEU 32 -0.065 -5.186 -7.200 265 HD12 LEU 32 2HD1 LEU 32 0.450 -6.814 -7.646 266 HD13 LEU 32 3HD1 LEU 32 1.402 -5.867 -6.502 267 HD21 LEU 32 3HD2 LEU 32 -2.270 -5.971 -6.489 268 HD22 LEU 32 1HD2 LEU 32 -2.426 -7.232 -5.264 269 HD23 LEU 32 2HD2 LEU 32 -1.880 -7.645 -6.889 270 H ILE 33 H ILE 33 3.280 -6.094 -4.218 271 HA ILE 33 HA ILE 33 1.806 -4.817 -2.065 272 HB ILE 33 HB ILE 33 4.761 -5.402 -2.201 273 HG12 ILE 33 2HG1 ILE 33 3.336 -6.910 -0.923 274 HG13 ILE 33 1HG1 ILE 33 4.452 -6.057 0.142 275 HG21 ILE 33 1HG2 ILE 33 3.566 -3.178 -0.554 276 HG22 ILE 33 2HG2 ILE 33 4.680 -2.992 -1.908 277 HG23 ILE 33 3HG2 ILE 33 5.219 -3.781 -0.423 278 HD11 ILE 33 3HD1 ILE 33 2.586 -4.479 0.699 279 HD12 ILE 33 1HD1 ILE 33 2.287 -6.149 1.197 280 HD13 ILE 33 2HD1 ILE 33 1.509 -5.498 -0.238 281 H LEU 34 H LEU 34 1.012 -3.035 -2.790 282 HA LEU 34 HA LEU 34 2.449 -1.719 -4.900 283 HB2 LEU 34 2HB LEU 34 -0.190 -0.949 -3.640 284 HB3 LEU 34 1HB LEU 34 0.588 -0.085 -4.949 285 HG LEU 34 HG LEU 34 -0.450 -2.916 -5.099 286 HD11 LEU 34 1HD1 LEU 34 -2.098 -1.980 -6.641 287 HD12 LEU 34 2HD1 LEU 34 -1.465 -0.362 -6.330 288 HD13 LEU 34 3HD1 LEU 34 -2.232 -1.275 -5.030 289 HD21 LEU 34 3HD2 LEU 34 1.507 -2.645 -6.529 290 HD22 LEU 34 1HD2 LEU 34 0.819 -1.170 -7.215 291 HD23 LEU 34 2HD2 LEU 34 0.044 -2.724 -7.506 292 H GLN 35 H GLN 35 1.044 -0.641 -1.844 293 HA GLN 35 HA GLN 35 1.515 1.158 -0.522 294 HB2 GLN 35 2HB GLN 35 4.124 -0.319 -0.615 295 HB3 GLN 35 1HB GLN 35 3.792 0.979 0.527 296 HG2 GLN 35 2HG GLN 35 1.973 -0.313 1.455 297 HG3 GLN 35 1HG GLN 35 2.257 -1.596 0.282 298 HE21 GLN 35 1HE2 GLN 35 4.843 0.186 1.821 299 HE22 GLN 35 2HE2 GLN 35 5.430 -1.118 2.769 300 H GLY 36 H GLY 36 1.290 3.018 -1.679 301 HA2 GLY 36 2HA GLY 36 3.822 4.236 -2.462 302 HA3 GLY 36 1HA GLY 36 2.553 4.101 -3.673 303 H CYS 37 H CYS 37 2.532 6.343 -3.818 304 HA CYS 37 HA CYS 37 1.261 7.680 -1.531 305 HB2 CYS 37 2HB CYS 37 2.801 8.978 -3.777 306 HB3 CYS 37 1HB CYS 37 2.303 9.682 -2.242 307 H SER 38 H SER 38 -0.710 8.717 -1.983 308 HA SER 38 HA SER 38 -1.530 8.855 -4.786 309 HB2 SER 38 2HB SER 38 -2.520 6.797 -3.849 310 HB3 SER 38 1HB SER 38 -3.249 7.735 -2.546 311 HG SER 38 HG SER 38 -3.788 8.057 -5.330 312 H SER 39 H SER 39 -3.177 10.419 -5.197 313 HA SER 39 HA SER 39 -3.050 12.718 -3.441 314 HB2 SER 39 2HB SER 39 -2.698 12.851 -5.937 315 HB3 SER 39 1HB SER 39 -4.376 12.385 -6.164 316 HG SER 39 HG SER 39 -3.624 14.577 -4.570 317 H SER 40 H SER 40 -5.022 10.022 -3.884 318 HA SER 40 HA SER 40 -7.226 11.336 -2.513 319 HB2 SER 40 2HB SER 40 -7.463 9.432 -4.857 320 HB3 SER 40 1HB SER 40 -8.809 10.123 -3.949 321 HG SER 40 HG SER 40 -7.936 12.201 -4.576 322 H CYS 41 H CYS 41 -8.665 9.664 -1.471 323 HA CYS 41 HA CYS 41 -7.037 7.416 -0.579 324 HB2 CYS 41 2HB CYS 41 -7.639 8.789 1.289 325 HB3 CYS 41 1HB CYS 41 -9.328 8.829 0.785 326 H SER 42 H SER 42 -7.526 5.568 -1.467 327 HA SER 42 HA SER 42 -10.153 5.048 -2.511 328 HB2 SER 42 2HB SER 42 -8.173 4.164 -3.684 329 HB3 SER 42 1HB SER 42 -7.708 3.280 -2.226 330 HG SER 42 HG SER 42 -9.487 2.640 -4.180 331 H GLU 43 H GLU 43 -11.675 4.367 -1.264 332 HA GLU 43 HA GLU 43 -10.969 3.494 1.398 333 HB2 GLU 43 2HB GLU 43 -13.361 3.989 1.986 334 HB3 GLU 43 1HB GLU 43 -12.393 5.369 1.501 335 HG2 GLU 43 2HG GLU 43 -13.387 5.184 -0.761 336 HG3 GLU 43 1HG GLU 43 -14.449 3.923 -0.133 337 H THR 44 H THR 44 -10.362 1.594 0.033 338 HA THR 44 HA THR 44 -12.565 -0.295 -0.005 339 HB THR 44 HB THR 44 -11.070 -1.699 -1.439 340 HG1 THR 44 1HG THR 44 -9.380 0.417 -1.954 341 HG21 THR 44 3HG2 THR 44 -11.366 1.126 -2.474 342 HG22 THR 44 1HG2 THR 44 -12.638 -0.094 -2.498 343 HG23 THR 44 2HG2 THR 44 -11.175 -0.326 -3.453 344 H GLU 45 H GLU 45 -11.690 -2.590 0.677 345 HA GLU 45 HA GLU 45 -10.270 -2.171 3.163 346 HB2 GLU 45 2HB GLU 45 -10.718 -4.572 3.575 347 HB3 GLU 45 1HB GLU 45 -12.164 -3.586 3.367 348 HG2 GLU 45 2HG GLU 45 -12.495 -4.458 1.164 349 HG3 GLU 45 1HG GLU 45 -10.948 -5.309 1.219 350 H ASN 46 H ASN 46 -9.736 -3.401 0.040 351 HA ASN 46 HA ASN 46 -7.327 -4.780 0.633 352 HB2 ASN 46 2HB ASN 46 -8.431 -5.489 -1.315 353 HB3 ASN 46 1HB ASN 46 -8.595 -3.850 -1.935 354 HD21 ASN 46 1HD2 ASN 46 -6.345 -6.497 -1.379 355 HD22 ASN 46 2HD2 ASN 46 -5.184 -5.971 -2.522 356 H ASN 47 H ASN 47 -8.065 -1.469 -0.397 357 HA ASN 47 HA ASN 47 -5.227 -0.913 -0.098 358 HB2 ASN 47 2HB ASN 47 -6.050 -0.532 -2.385 359 HB3 ASN 47 1HB ASN 47 -7.301 0.535 -1.753 360 HD21 ASN 47 1HD2 ASN 47 -6.704 2.532 -0.896 361 HD22 ASN 47 2HD2 ASN 47 -5.183 3.248 -1.267 362 H LYS 48 H LYS 48 -4.805 0.192 1.616 363 HA LYS 48 HA LYS 48 -6.940 1.700 2.947 364 HB2 LYS 48 2HB LYS 48 -4.398 0.492 4.051 365 HB3 LYS 48 1HB LYS 48 -5.558 1.442 4.973 366 HG2 LYS 48 2HG LYS 48 -6.280 -1.106 3.568 367 HG3 LYS 48 1HG LYS 48 -5.711 -1.056 5.238 368 HD2 LYS 48 2HD LYS 48 -8.067 0.597 4.361 369 HD3 LYS 48 1HD LYS 48 -8.269 -1.105 4.748 370 HE2 LYS 48 2HE LYS 48 -8.801 0.291 6.683 371 HE3 LYS 48 1HE LYS 48 -7.395 -0.707 7.005 372 HZ1 LYS 48 3HZ LYS 48 -5.985 1.221 6.712 373 HZ2 LYS 48 1HZ LYS 48 -7.169 1.523 7.838 374 HZ3 LYS 48 2HZ LYS 48 -7.316 2.200 6.313 375 H CYS 49 H CYS 49 -6.402 3.787 3.727 376 HA CYS 49 HA CYS 49 -3.997 4.933 2.472 377 HB2 CYS 49 2HB CYS 49 -5.223 6.949 1.970 378 HB3 CYS 49 1HB CYS 49 -6.165 5.599 1.346 379 H CYS 50 H CYS 50 -2.856 6.386 3.745 380 HA CYS 50 HA CYS 50 -4.054 7.246 6.242 381 HB2 CYS 50 2HB CYS 50 -1.879 6.766 7.415 382 HB3 CYS 50 1HB CYS 50 -2.741 5.319 6.908 383 H SER 51 H SER 51 -3.166 9.296 6.952 384 HA SER 51 HA SER 51 -1.492 10.518 4.897 385 HB2 SER 51 2HB SER 51 -3.860 11.319 4.749 386 HB3 SER 51 1HB SER 51 -3.732 11.912 6.403 387 HG SER 51 HG SER 51 -2.447 12.804 4.065 388 H THR 52 H THR 52 0.162 9.682 6.406 389 HA THR 52 HA THR 52 0.999 11.862 8.106 390 HB THR 52 HB THR 52 1.207 9.035 9.093 391 HG1 THR 52 1HG THR 52 -0.944 10.739 9.127 392 HG21 THR 52 3HG2 THR 52 1.401 11.682 10.539 393 HG22 THR 52 1HG2 THR 52 2.756 10.659 10.059 394 HG23 THR 52 2HG2 THR 52 1.613 10.092 11.272 395 H ASP 53 H ASP 53 3.317 11.754 8.333 396 HA ASP 53 HA ASP 53 4.509 10.712 5.968 397 HB2 ASP 53 2HB ASP 53 6.616 11.640 6.713 398 HB3 ASP 53 1HB ASP 53 5.356 12.809 7.061 399 H ARG 54 H ARG 54 5.525 8.925 5.614 400 HA ARG 54 HA ARG 54 6.400 6.889 5.832 401 HB2 ARG 54 2HB ARG 54 6.922 7.775 8.665 402 HB3 ARG 54 1HB ARG 54 7.605 6.339 7.918 403 HG2 ARG 54 2HG ARG 54 8.838 7.630 6.372 404 HG3 ARG 54 1HG ARG 54 8.010 9.112 6.848 405 HD2 ARG 54 2HD ARG 54 9.786 7.459 8.634 406 HD3 ARG 54 1HD ARG 54 10.249 8.970 7.850 407 HE ARG 54 HE ARG 54 8.235 9.911 9.124 408 HH11 ARG 54 1HH1 ARG 54 10.395 7.426 10.416 409 HH12 ARG 54 2HH1 ARG 54 10.091 7.792 12.037 410 HH21 ARG 54 1HH2 ARG 54 7.775 10.393 11.264 411 HH22 ARG 54 2HH2 ARG 54 8.542 9.581 12.554 412 H CYS 55 H CYS 55 3.430 7.419 6.654 413 HA CYS 55 HA CYS 55 2.948 5.526 8.724 414 HB2 CYS 55 2HB CYS 55 0.572 5.808 8.217 415 HB3 CYS 55 1HB CYS 55 1.420 7.336 8.408 416 H ASN 56 H ASN 56 3.250 5.126 5.282 417 HA ASN 56 HA ASN 56 1.823 2.619 5.405 418 HB2 ASN 56 2HB ASN 56 2.072 2.464 2.963 419 HB3 ASN 56 1HB ASN 56 1.430 4.031 3.424 420 HD21 ASN 56 1HD2 ASN 56 2.676 3.326 0.986 421 HD22 ASN 56 2HD2 ASN 56 4.110 4.255 0.810 422 H LYS 57 H LYS 57 3.715 2.337 7.022 423 HA LYS 57 HA LYS 57 6.080 1.221 5.818 424 HB2 LYS 57 2HB LYS 57 6.832 0.953 8.230 425 HB3 LYS 57 1HB LYS 57 6.599 2.593 7.654 426 HG2 LYS 57 2HG LYS 57 4.427 2.674 8.776 427 HG3 LYS 57 1HG LYS 57 4.673 1.032 9.366 428 HD2 LYS 57 2HD LYS 57 6.640 1.774 10.608 429 HD3 LYS 57 1HD LYS 57 6.420 3.411 9.985 430 HE2 LYS 57 2HE LYS 57 4.218 3.506 11.064 431 HE3 LYS 57 1HE LYS 57 4.474 1.887 11.708 432 HZ1 LYS 57 3HZ LYS 57 6.354 2.727 12.967 433 HZ2 LYS 57 1HZ LYS 57 4.959 3.597 13.328 434 HZ3 LYS 57 2HZ LYS 57 6.135 4.264 12.317 Start of MODEL 3 1 H1 LEU 1 1HT LEU 1 5.466 15.084 2.392 2 H2 LEU 1 2HT LEU 1 3.775 15.155 2.456 3 H3 LEU 1 3HT LEU 1 4.557 14.411 1.143 4 HA LEU 1 HA LEU 1 4.689 13.473 3.904 5 HB2 LEU 1 2HB LEU 1 3.028 12.646 1.564 6 HB3 LEU 1 1HB LEU 1 3.491 11.478 2.778 7 HG LEU 1 HG LEU 1 1.927 13.994 3.350 8 HD11 LEU 1 2HD1 LEU 1 0.036 12.451 3.628 9 HD12 LEU 1 3HD1 LEU 1 1.069 11.114 3.112 10 HD13 LEU 1 1HD1 LEU 1 0.662 12.398 1.976 11 HD21 LEU 1 1HD2 LEU 1 3.240 13.246 5.240 12 HD22 LEU 1 2HD2 LEU 1 2.714 11.600 4.986 13 HD23 LEU 1 3HD2 LEU 1 1.545 12.817 5.518 14 H LYS 2 H LYS 2 6.170 12.082 4.307 15 HA LYS 2 HA LYS 2 7.569 10.978 2.026 16 HB2 LYS 2 2HB LYS 2 9.506 10.588 3.639 17 HB3 LYS 2 1HB LYS 2 9.152 12.261 3.248 18 HG2 LYS 2 2HG LYS 2 8.059 12.579 5.351 19 HG3 LYS 2 1HG LYS 2 8.212 10.865 5.741 20 HD2 LYS 2 2HD LYS 2 9.911 12.125 6.945 21 HD3 LYS 2 1HD LYS 2 10.658 11.109 5.713 22 HE2 LYS 2 2HE LYS 2 11.731 13.259 5.721 23 HE3 LYS 2 1HE LYS 2 10.818 13.075 4.232 24 HZ1 LYS 2 3HZ LYS 2 10.480 15.261 5.110 25 HZ2 LYS 2 1HZ LYS 2 10.047 14.661 6.618 26 HZ3 LYS 2 2HZ LYS 2 9.035 14.438 5.302 27 H CYS 3 H CYS 3 6.995 8.995 1.592 28 HA CYS 3 HA CYS 3 6.344 7.194 3.791 29 HB2 CYS 3 2HB CYS 3 4.580 7.638 1.370 30 HB3 CYS 3 1HB CYS 3 4.327 6.414 2.615 31 H PHE 4 H PHE 4 6.068 4.871 2.956 32 HA PHE 4 HA PHE 4 8.508 4.348 1.474 33 HB2 PHE 4 2HB PHE 4 6.582 2.411 2.779 34 HB3 PHE 4 1HB PHE 4 8.141 2.003 2.092 35 HD1 PHE 4 2HD PHE 4 10.202 2.909 3.188 36 HD2 PHE 4 1HD PHE 4 6.362 3.127 4.981 37 HE1 PHE 4 2HE PHE 4 11.254 3.237 5.381 38 HE2 PHE 4 1HE PHE 4 7.398 3.461 7.179 39 HZ PHE 4 HZ PHE 4 9.861 3.514 7.382 40 H GLN 5 H GLN 5 7.646 5.109 -0.564 41 HA GLN 5 HA GLN 5 5.499 3.587 -1.781 42 HB2 GLN 5 2HB GLN 5 5.784 5.889 -2.502 43 HB3 GLN 5 1HB GLN 5 7.430 5.553 -3.013 44 HG2 GLN 5 2HG GLN 5 6.666 4.163 -4.797 45 HG3 GLN 5 1HG GLN 5 4.999 4.278 -4.288 46 HE21 GLN 5 1HE2 GLN 5 7.286 6.950 -4.370 47 HE22 GLN 5 2HE2 GLN 5 6.511 7.800 -5.652 48 H HIS 6 H HIS 6 8.972 3.611 -2.018 49 HA HIS 6 HA HIS 6 8.814 1.263 -3.776 50 HB2 HIS 6 2HB HIS 6 11.114 3.193 -3.359 51 HB3 HIS 6 1HB HIS 6 11.142 1.799 -4.438 52 HD1 HIS 6 1HD HIS 6 9.453 1.932 -6.537 53 HD2 HIS 6 2HD HIS 6 9.981 5.443 -4.389 54 HE1 HIS 6 1HE HIS 6 8.452 3.764 -7.938 55 H GLY 7 H GLY 7 8.540 1.483 -0.870 56 HA2 GLY 7 2HA GLY 7 8.998 -0.033 0.826 57 HA3 GLY 7 1HA GLY 7 10.387 -0.627 -0.084 58 H LYS 8 H LYS 8 11.171 2.124 -0.563 59 HA LYS 8 HA LYS 8 12.428 2.738 2.003 60 HB2 LYS 8 2HB LYS 8 13.189 3.585 -0.807 61 HB3 LYS 8 1HB LYS 8 14.061 3.997 0.665 62 HG2 LYS 8 2HG LYS 8 14.570 1.637 1.041 63 HG3 LYS 8 1HG LYS 8 13.678 1.209 -0.414 64 HD2 LYS 8 2HD LYS 8 16.081 1.239 -0.851 65 HD3 LYS 8 1HD LYS 8 15.267 2.503 -1.766 66 HE2 LYS 8 2HE LYS 8 17.365 3.302 -0.787 67 HE3 LYS 8 1HE LYS 8 15.980 4.169 -0.139 68 HZ1 LYS 8 3HZ LYS 8 17.503 1.995 1.212 69 HZ2 LYS 8 1HZ LYS 8 16.122 2.713 1.858 70 HZ3 LYS 8 2HZ LYS 8 17.505 3.624 1.620 71 H VAL 9 H VAL 9 12.613 5.052 2.482 72 HA VAL 9 HA VAL 9 10.075 6.324 2.257 73 HB VAL 9 HB VAL 9 12.672 7.424 3.362 74 HG11 VAL 9 1HG1 VAL 9 11.236 8.944 4.640 75 HG12 VAL 9 2HG1 VAL 9 9.823 8.295 3.806 76 HG13 VAL 9 3HG1 VAL 9 11.058 9.170 2.899 77 HG21 VAL 9 3HG2 VAL 9 11.816 6.767 5.548 78 HG22 VAL 9 1HG2 VAL 9 12.037 5.374 4.492 79 HG23 VAL 9 2HG2 VAL 9 10.421 6.019 4.771 80 H VAL 10 H VAL 10 9.448 7.548 0.650 81 HA VAL 10 HA VAL 10 11.421 9.237 -0.642 82 HB VAL 10 HB VAL 10 10.309 8.968 -2.825 83 HG11 VAL 10 1HG1 VAL 10 11.130 6.745 -3.402 84 HG12 VAL 10 2HG1 VAL 10 11.189 6.321 -1.691 85 HG13 VAL 10 3HG1 VAL 10 12.254 7.575 -2.324 86 HG21 VAL 10 3HG2 VAL 10 8.711 7.173 -3.219 87 HG22 VAL 10 1HG2 VAL 10 8.081 8.344 -2.061 88 HG23 VAL 10 2HG2 VAL 10 8.702 6.792 -1.493 89 H THR 11 H THR 11 10.558 11.188 -1.434 90 HA THR 11 HA THR 11 8.394 12.129 0.213 91 HB THR 11 HB THR 11 10.108 13.565 -1.834 92 HG1 THR 11 1HG THR 11 10.832 12.587 0.417 93 HG21 THR 11 3HG2 THR 11 8.273 14.661 0.318 94 HG22 THR 11 1HG2 THR 11 7.985 14.743 -1.418 95 HG23 THR 11 2HG2 THR 11 9.334 15.630 -0.704 96 H CYS 12 H CYS 12 6.366 11.884 -0.476 97 HA CYS 12 HA CYS 12 5.642 11.400 -3.201 98 HB2 CYS 12 2HB CYS 12 3.864 12.172 -0.864 99 HB3 CYS 12 1HB CYS 12 3.384 11.326 -2.331 100 H HIS 13 H HIS 13 4.263 12.948 -4.439 101 HA HIS 13 HA HIS 13 5.336 15.606 -4.137 102 HB2 HIS 13 2HB HIS 13 4.830 14.354 -6.365 103 HB3 HIS 13 1HB HIS 13 3.172 14.873 -6.105 104 HD1 HIS 13 1HD HIS 13 2.644 17.073 -7.366 105 HD2 HIS 13 2HD HIS 13 6.648 16.744 -6.191 106 HE1 HIS 13 1HE HIS 13 3.788 19.103 -8.218 107 H ARG 14 H ARG 14 3.721 17.485 -4.446 108 HA ARG 14 HA ARG 14 2.247 17.726 -2.048 109 HB2 ARG 14 2HB ARG 14 1.967 19.421 -4.517 110 HB3 ARG 14 1HB ARG 14 1.531 19.873 -2.881 111 HG2 ARG 14 2HG ARG 14 3.871 19.822 -2.224 112 HG3 ARG 14 1HG ARG 14 4.324 19.324 -3.857 113 HD2 ARG 14 2HD ARG 14 3.009 21.915 -3.056 114 HD3 ARG 14 1HD ARG 14 4.665 21.703 -3.621 115 HE ARG 14 HE ARG 14 2.723 20.743 -5.487 116 HH11 ARG 14 1HH1 ARG 14 4.451 23.665 -4.452 117 HH12 ARG 14 2HH1 ARG 14 4.166 24.488 -5.902 118 HH21 ARG 14 1HH2 ARG 14 2.347 21.866 -7.438 119 HH22 ARG 14 2HH2 ARG 14 2.915 23.453 -7.654 120 H ASP 15 H ASP 15 1.376 16.683 -5.211 121 HA ASP 15 HA ASP 15 -1.438 17.061 -5.086 122 HB2 ASP 15 2HB ASP 15 0.205 15.090 -6.691 123 HB3 ASP 15 1HB ASP 15 -1.502 15.421 -6.944 124 H MET 16 H MET 16 0.776 14.680 -3.996 125 HA MET 16 HA MET 16 -1.230 12.709 -3.508 126 HB2 MET 16 2HB MET 16 1.745 12.754 -3.050 127 HB3 MET 16 1HB MET 16 0.731 11.429 -2.506 128 HG2 MET 16 2HG MET 16 1.696 10.823 -4.544 129 HG3 MET 16 1HG MET 16 -0.027 11.078 -4.767 130 HE1 MET 16 3HE MET 16 1.746 10.716 -7.104 131 HE2 MET 16 1HE MET 16 1.282 12.029 -8.214 132 HE3 MET 16 2HE MET 16 0.054 11.198 -7.236 133 H LYS 17 H LYS 17 -2.525 13.071 -1.960 134 HA LYS 17 HA LYS 17 -1.701 14.454 0.478 135 HB2 LYS 17 2HB LYS 17 -4.415 13.500 -0.424 136 HB3 LYS 17 1HB LYS 17 -4.083 14.537 0.953 137 HG2 LYS 17 2HG LYS 17 -3.351 16.306 -0.495 138 HG3 LYS 17 1HG LYS 17 -3.506 15.261 -1.909 139 HD2 LYS 17 2HD LYS 17 -5.912 15.056 -1.468 140 HD3 LYS 17 1HD LYS 17 -5.740 16.134 -0.086 141 HE2 LYS 17 2HE LYS 17 -5.045 17.941 -1.514 142 HE3 LYS 17 1HE LYS 17 -5.042 16.879 -2.923 143 HZ1 LYS 17 3HZ LYS 17 -7.398 16.671 -2.773 144 HZ2 LYS 17 1HZ LYS 17 -7.020 18.304 -2.749 145 HZ3 LYS 17 2HZ LYS 17 -7.471 17.498 -1.322 146 H PHE 18 H PHE 18 -2.105 11.325 -0.739 147 HA PHE 18 HA PHE 18 -2.362 10.228 1.969 148 HB2 PHE 18 2HB PHE 18 -3.719 9.174 -0.520 149 HB3 PHE 18 1HB PHE 18 -3.734 8.413 1.061 150 HD1 PHE 18 1HD PHE 18 -5.141 9.297 2.843 151 HD2 PHE 18 2HD PHE 18 -5.072 11.111 -1.010 152 HE1 PHE 18 1HE PHE 18 -7.216 10.500 3.371 153 HE2 PHE 18 2HE PHE 18 -7.141 12.318 -0.488 154 HZ PHE 18 HZ PHE 18 -8.223 12.016 1.705 155 H CYS 19 H CYS 19 -1.126 8.496 2.331 156 HA CYS 19 HA CYS 19 0.496 7.437 0.144 157 HB2 CYS 19 2HB CYS 19 0.871 7.200 3.152 158 HB3 CYS 19 1HB CYS 19 1.974 6.626 1.903 159 H TYR 20 H TYR 20 0.093 5.258 -0.325 160 HA TYR 20 HA TYR 20 -1.868 4.099 1.464 161 HB2 TYR 20 2HB TYR 20 -2.979 2.941 -0.360 162 HB3 TYR 20 1HB TYR 20 -2.993 4.673 -0.610 163 HD1 TYR 20 2HD TYR 20 -1.716 1.459 -1.806 164 HD2 TYR 20 1HD TYR 20 -1.817 5.636 -2.493 165 HE1 TYR 20 2HE TYR 20 -0.909 1.083 -4.069 166 HE2 TYR 20 1HE TYR 20 -1.015 5.274 -4.805 167 HH TYR 20 HH TYR 20 0.237 3.522 -6.089 168 H HIS 21 H HIS 21 -1.889 2.067 1.890 169 HA HIS 21 HA HIS 21 0.470 0.479 1.182 170 HB2 HIS 21 2HB HIS 21 0.619 1.286 3.532 171 HB3 HIS 21 1HB HIS 21 -0.969 0.640 3.851 172 HD1 HIS 21 1HD HIS 21 0.242 -0.681 5.832 173 HD2 HIS 21 2HD HIS 21 1.370 -1.821 1.996 174 HE1 HIS 21 1HE HIS 21 1.394 -2.876 6.085 175 H ASN 22 H ASN 22 -0.477 -0.784 -0.318 176 HA ASN 22 HA ASN 22 -3.010 -2.051 0.277 177 HB2 ASN 22 2HB ASN 22 -2.445 -1.363 -2.063 178 HB3 ASN 22 1HB ASN 22 -1.095 -2.495 -1.997 179 HD21 ASN 22 1HD2 ASN 22 -4.269 -3.147 -0.615 180 HD22 ASN 22 2HD2 ASN 22 -4.684 -4.382 -1.716 181 H THR 23 H THR 23 -3.055 -3.796 1.491 182 HA THR 23 HA THR 23 -0.643 -5.168 2.166 183 HB THR 23 HB THR 23 -2.277 -6.474 3.601 184 HG1 THR 23 1HG THR 23 -4.386 -5.535 3.716 185 HG21 THR 23 3HG2 THR 23 -2.711 -4.595 5.113 186 HG22 THR 23 1HG2 THR 23 -2.343 -3.465 3.816 187 HG23 THR 23 2HG2 THR 23 -1.068 -4.505 4.465 188 H GLY 24 H GLY 24 -3.224 -5.496 -0.034 189 HA2 GLY 24 2HA GLY 24 -3.736 -7.072 -1.630 190 HA3 GLY 24 1HA GLY 24 -2.168 -7.813 -1.296 191 H MET 25 H MET 25 -3.004 -9.926 -1.260 192 HA MET 25 HA MET 25 -4.570 -10.440 1.152 193 HB2 MET 25 2HB MET 25 -4.402 -12.063 -1.405 194 HB3 MET 25 1HB MET 25 -5.280 -12.553 0.039 195 HG2 MET 25 2HG MET 25 -5.844 -10.123 -1.628 196 HG3 MET 25 1HG MET 25 -6.763 -11.626 -1.644 197 HE1 MET 25 3HE MET 25 -9.086 -8.931 0.108 198 HE2 MET 25 1HE MET 25 -8.939 -10.041 -1.255 199 HE3 MET 25 2HE MET 25 -7.897 -8.624 -1.153 200 HA PRO 26 HA PRO 26 -1.008 -12.587 2.606 201 HB2 PRO 26 2HB PRO 26 -2.129 -14.825 3.773 202 HB3 PRO 26 1HB PRO 26 -2.034 -13.246 4.553 203 HG2 PRO 26 2HG PRO 26 -4.332 -14.526 3.141 204 HG3 PRO 26 1HG PRO 26 -4.329 -13.526 4.604 205 HD2 PRO 26 2HD PRO 26 -5.066 -12.552 2.198 206 HD3 PRO 26 1HD PRO 26 -4.235 -11.554 3.408 207 H PHE 27 H PHE 27 0.219 -13.386 1.063 208 HA PHE 27 HA PHE 27 -0.664 -15.829 -0.249 209 HB2 PHE 27 2HB PHE 27 1.161 -13.674 -1.299 210 HB3 PHE 27 1HB PHE 27 0.794 -15.177 -2.146 211 HD1 PHE 27 1HD PHE 27 -2.039 -15.465 -2.031 212 HD2 PHE 27 2HD PHE 27 0.237 -11.888 -2.352 213 HE1 PHE 27 1HE PHE 27 -3.936 -14.368 -3.122 214 HE2 PHE 27 2HE PHE 27 -1.662 -10.779 -3.437 215 HZ PHE 27 HZ PHE 27 -3.760 -12.021 -3.828 216 H ARG 28 H ARG 28 0.715 -17.471 -0.365 217 HA ARG 28 HA ARG 28 2.527 -17.766 1.753 218 HB2 ARG 28 2HB ARG 28 3.078 -19.970 0.691 219 HB3 ARG 28 1HB ARG 28 1.375 -19.706 1.011 220 HG2 ARG 28 2HG ARG 28 1.036 -19.157 -1.368 221 HG3 ARG 28 1HG ARG 28 2.745 -19.468 -1.669 222 HD2 ARG 28 2HD ARG 28 0.729 -21.445 -0.623 223 HD3 ARG 28 1HD ARG 28 1.371 -21.399 -2.265 224 HE ARG 28 HE ARG 28 3.606 -21.708 -1.081 225 HH11 ARG 28 1HH1 ARG 28 0.575 -23.182 0.008 226 HH12 ARG 28 2HH1 ARG 28 1.334 -24.490 0.775 227 HH21 ARG 28 1HH2 ARG 28 4.636 -23.526 -0.048 228 HH22 ARG 28 2HH2 ARG 28 3.685 -24.717 0.699 229 H ASN 29 H ASN 29 4.333 -16.752 1.915 230 HA ASN 29 HA ASN 29 6.373 -15.882 1.571 231 HB2 ASN 29 2HB ASN 29 6.540 -18.034 -0.539 232 HB3 ASN 29 1HB ASN 29 7.906 -17.035 -0.068 233 HD21 ASN 29 1HD2 ASN 29 7.055 -17.157 2.844 234 HD22 ASN 29 2HD2 ASN 29 7.482 -18.755 3.316 235 H LEU 30 H LEU 30 4.062 -14.890 0.055 236 HA LEU 30 HA LEU 30 5.579 -13.398 -1.928 237 HB2 LEU 30 2HB LEU 30 4.245 -14.882 -3.225 238 HB3 LEU 30 1HB LEU 30 2.826 -14.569 -2.250 239 HG LEU 30 HG LEU 30 2.815 -12.227 -3.107 240 HD11 LEU 30 1HD1 LEU 30 5.129 -11.978 -3.699 241 HD12 LEU 30 2HD1 LEU 30 4.103 -11.680 -5.102 242 HD13 LEU 30 3HD1 LEU 30 4.971 -13.210 -4.949 243 HD21 LEU 30 3HD2 LEU 30 1.386 -13.926 -4.093 244 HD22 LEU 30 1HD2 LEU 30 2.674 -14.367 -5.215 245 HD23 LEU 30 2HD2 LEU 30 1.930 -12.765 -5.298 246 H LYS 31 H LYS 31 5.703 -11.462 -1.223 247 HA LYS 31 HA LYS 31 3.537 -10.354 0.371 248 HB2 LYS 31 2HB LYS 31 6.250 -9.172 -0.247 249 HB3 LYS 31 1HB LYS 31 5.093 -8.577 0.930 250 HG2 LYS 31 2HG LYS 31 5.400 -10.665 2.225 251 HG3 LYS 31 1HG LYS 31 6.632 -11.159 1.061 252 HD2 LYS 31 2HD LYS 31 7.905 -9.121 1.588 253 HD3 LYS 31 1HD LYS 31 6.688 -8.697 2.792 254 HE2 LYS 31 2HE LYS 31 7.181 -10.813 3.975 255 HE3 LYS 31 1HE LYS 31 8.458 -11.135 2.802 256 HZ1 LYS 31 3HZ LYS 31 9.474 -8.994 3.495 257 HZ2 LYS 31 1HZ LYS 31 9.431 -10.115 4.748 258 HZ3 LYS 31 2HZ LYS 31 8.326 -8.850 4.681 259 H LEU 32 H LEU 32 2.003 -9.769 -1.116 260 HA LEU 32 HA LEU 32 2.808 -8.392 -3.515 261 HB2 LEU 32 2HB LEU 32 0.840 -9.856 -3.577 262 HB3 LEU 32 1HB LEU 32 0.051 -8.871 -2.356 263 HG LEU 32 HG LEU 32 0.134 -6.952 -3.963 264 HD11 LEU 32 1HD1 LEU 32 0.452 -7.443 -6.336 265 HD12 LEU 32 2HD1 LEU 32 0.973 -9.075 -5.919 266 HD13 LEU 32 3HD1 LEU 32 1.922 -7.684 -5.396 267 HD21 LEU 32 3HD2 LEU 32 -1.891 -8.277 -3.626 268 HD22 LEU 32 1HD2 LEU 32 -1.370 -9.382 -4.899 269 HD23 LEU 32 2HD2 LEU 32 -1.749 -7.702 -5.287 270 H ILE 33 H ILE 33 3.538 -6.435 -3.271 271 HA ILE 33 HA ILE 33 2.216 -4.752 -1.309 272 HB ILE 33 HB ILE 33 5.129 -5.036 -1.942 273 HG12 ILE 33 2HG1 ILE 33 4.211 -6.389 -0.141 274 HG13 ILE 33 1HG1 ILE 33 5.320 -5.176 0.495 275 HG21 ILE 33 1HG2 ILE 33 4.717 -2.652 -2.107 276 HG22 ILE 33 2HG2 ILE 33 5.625 -3.031 -0.640 277 HG23 ILE 33 3HG2 ILE 33 3.902 -2.673 -0.542 278 HD11 ILE 33 3HD1 ILE 33 2.302 -5.126 0.618 279 HD12 ILE 33 1HD1 ILE 33 3.348 -3.768 1.042 280 HD13 ILE 33 2HD1 ILE 33 3.443 -5.275 1.951 281 H LEU 34 H LEU 34 1.092 -3.261 -2.082 282 HA LEU 34 HA LEU 34 2.266 -1.671 -4.199 283 HB2 LEU 34 2HB LEU 34 -0.722 -2.158 -3.849 284 HB3 LEU 34 1HB LEU 34 -0.049 -0.906 -4.854 285 HG LEU 34 HG LEU 34 1.047 -2.758 -6.206 286 HD11 LEU 34 1HD1 LEU 34 -0.888 -4.481 -4.679 287 HD12 LEU 34 2HD1 LEU 34 0.870 -4.564 -4.601 288 HD13 LEU 34 3HD1 LEU 34 0.034 -4.967 -6.102 289 HD21 LEU 34 3HD2 LEU 34 -0.880 -1.521 -6.991 290 HD22 LEU 34 1HD2 LEU 34 -1.958 -2.595 -6.101 291 HD23 LEU 34 2HD2 LEU 34 -1.011 -3.218 -7.452 292 H GLN 35 H GLN 35 3.305 -0.693 -2.485 293 HA GLN 35 HA GLN 35 1.665 1.128 -0.910 294 HB2 GLN 35 2HB GLN 35 4.578 0.360 -0.829 295 HB3 GLN 35 1HB GLN 35 3.917 1.683 0.118 296 HG2 GLN 35 2HG GLN 35 2.551 0.218 1.354 297 HG3 GLN 35 1HG GLN 35 2.897 -1.132 0.281 298 HE21 GLN 35 1HE2 GLN 35 5.405 1.092 1.343 299 HE22 GLN 35 2HE2 GLN 35 6.162 -0.046 2.394 300 H GLY 36 H GLY 36 1.282 3.051 -1.805 301 HA2 GLY 36 2HA GLY 36 3.452 4.308 -3.253 302 HA3 GLY 36 1HA GLY 36 1.941 4.070 -4.138 303 H CYS 37 H CYS 37 2.362 6.493 -4.183 304 HA CYS 37 HA CYS 37 1.035 7.652 -1.850 305 HB2 CYS 37 2HB CYS 37 2.665 9.140 -3.935 306 HB3 CYS 37 1HB CYS 37 2.101 9.727 -2.379 307 H SER 38 H SER 38 -0.868 8.797 -2.299 308 HA SER 38 HA SER 38 -1.738 8.782 -5.095 309 HB2 SER 38 2HB SER 38 -2.619 6.770 -3.923 310 HB3 SER 38 1HB SER 38 -3.410 7.820 -2.748 311 HG SER 38 HG SER 38 -4.977 7.945 -4.089 312 H SER 39 H SER 39 -3.390 10.319 -5.540 313 HA SER 39 HA SER 39 -3.167 12.695 -3.911 314 HB2 SER 39 2HB SER 39 -2.978 12.805 -6.393 315 HB3 SER 39 1HB SER 39 -4.638 12.248 -6.537 316 HG SER 39 HG SER 39 -3.764 14.568 -5.186 317 H SER 40 H SER 40 -5.670 10.495 -5.058 318 HA SER 40 HA SER 40 -7.430 11.515 -2.960 319 HB2 SER 40 2HB SER 40 -8.117 10.153 -5.587 320 HB3 SER 40 1HB SER 40 -9.285 10.759 -4.416 321 HG SER 40 HG SER 40 -7.863 12.813 -4.790 322 H CYS 41 H CYS 41 -9.144 9.427 -2.579 323 HA CYS 41 HA CYS 41 -7.484 7.048 -2.317 324 HB2 CYS 41 2HB CYS 41 -7.140 8.002 -0.185 325 HB3 CYS 41 1HB CYS 41 -8.833 8.463 -0.030 326 H SER 42 H SER 42 -8.537 5.311 -2.957 327 HA SER 42 HA SER 42 -11.431 5.230 -2.866 328 HB2 SER 42 2HB SER 42 -9.424 3.107 -3.717 329 HB3 SER 42 1HB SER 42 -11.161 3.099 -4.046 330 HG SER 42 HG SER 42 -10.034 5.395 -4.852 331 H GLU 43 H GLU 43 -12.113 4.960 -0.810 332 HA GLU 43 HA GLU 43 -10.388 4.001 1.202 333 HB2 GLU 43 2HB GLU 43 -12.268 4.271 2.764 334 HB3 GLU 43 1HB GLU 43 -11.976 5.700 1.788 335 HG2 GLU 43 2HG GLU 43 -13.864 5.199 0.408 336 HG3 GLU 43 1HG GLU 43 -14.084 3.652 1.230 337 H THR 44 H THR 44 -9.898 2.119 1.709 338 HA THR 44 HA THR 44 -11.835 0.012 1.903 339 HB THR 44 HB THR 44 -9.952 -1.467 0.790 340 HG1 THR 44 1HG THR 44 -9.568 1.057 -0.434 341 HG21 THR 44 3HG2 THR 44 -11.077 -1.327 -1.387 342 HG22 THR 44 1HG2 THR 44 -11.834 0.190 -0.899 343 HG23 THR 44 2HG2 THR 44 -12.249 -1.311 -0.070 344 H GLU 45 H GLU 45 -10.696 -1.886 2.989 345 HA GLU 45 HA GLU 45 -8.839 -0.828 4.968 346 HB2 GLU 45 2HB GLU 45 -10.446 -3.381 4.853 347 HB3 GLU 45 1HB GLU 45 -9.390 -2.922 6.187 348 HG2 GLU 45 2HG GLU 45 -10.732 -1.043 6.716 349 HG3 GLU 45 1HG GLU 45 -11.687 -1.230 5.253 350 H ASN 46 H ASN 46 -8.993 -2.769 2.214 351 HA ASN 46 HA ASN 46 -6.579 -4.288 2.706 352 HB2 ASN 46 2HB ASN 46 -8.538 -5.090 1.324 353 HB3 ASN 46 1HB ASN 46 -8.071 -3.910 0.102 354 HD21 ASN 46 1HD2 ASN 46 -7.274 -6.836 1.697 355 HD22 ASN 46 2HD2 ASN 46 -6.060 -7.385 0.609 356 H ASN 47 H ASN 47 -7.537 -1.309 1.187 357 HA ASN 47 HA ASN 47 -4.755 -0.784 0.561 358 HB2 ASN 47 2HB ASN 47 -5.972 -0.846 -1.474 359 HB3 ASN 47 1HB ASN 47 -7.279 0.149 -0.832 360 HD21 ASN 47 1HD2 ASN 47 -6.965 2.359 -0.702 361 HD22 ASN 47 2HD2 ASN 47 -5.683 3.165 -1.528 362 H LYS 48 H LYS 48 -4.177 0.078 2.327 363 HA LYS 48 HA LYS 48 -5.812 1.791 3.959 364 HB2 LYS 48 2HB LYS 48 -4.237 0.238 4.964 365 HB3 LYS 48 1HB LYS 48 -2.917 0.992 4.094 366 HG2 LYS 48 2HG LYS 48 -3.454 3.115 5.351 367 HG3 LYS 48 1HG LYS 48 -4.526 2.136 6.357 368 HD2 LYS 48 2HD LYS 48 -2.654 0.697 6.965 369 HD3 LYS 48 1HD LYS 48 -1.580 1.646 5.939 370 HE2 LYS 48 2HE LYS 48 -2.090 3.635 7.330 371 HE3 LYS 48 1HE LYS 48 -3.040 2.597 8.395 372 HZ1 LYS 48 3HZ LYS 48 -0.114 2.421 7.892 373 HZ2 LYS 48 1HZ LYS 48 -1.007 1.274 8.746 374 HZ3 LYS 48 2HZ LYS 48 -0.884 2.836 9.320 375 H CYS 49 H CYS 49 -6.149 3.825 3.114 376 HA CYS 49 HA CYS 49 -3.775 5.206 2.143 377 HB2 CYS 49 2HB CYS 49 -5.314 6.946 1.315 378 HB3 CYS 49 1HB CYS 49 -5.747 5.369 0.673 379 H CYS 50 H CYS 50 -2.729 6.417 3.500 380 HA CYS 50 HA CYS 50 -4.188 7.592 5.718 381 HB2 CYS 50 2HB CYS 50 -2.040 7.077 7.050 382 HB3 CYS 50 1HB CYS 50 -3.157 5.749 6.734 383 H SER 51 H SER 51 -3.061 9.486 6.612 384 HA SER 51 HA SER 51 -1.658 10.848 4.429 385 HB2 SER 51 2HB SER 51 -2.783 12.899 5.531 386 HB3 SER 51 1HB SER 51 -3.768 11.813 4.545 387 HG SER 51 HG SER 51 -4.626 10.930 6.329 388 H THR 52 H THR 52 -0.554 9.396 6.850 389 HA THR 52 HA THR 52 0.850 11.665 8.086 390 HB THR 52 HB THR 52 0.767 8.897 9.220 391 HG1 THR 52 1HG THR 52 -1.212 10.947 9.272 392 HG21 THR 52 3HG2 THR 52 0.964 11.631 10.496 393 HG22 THR 52 1HG2 THR 52 2.308 10.529 10.192 394 HG23 THR 52 2HG2 THR 52 1.050 10.088 11.348 395 H ASP 53 H ASP 53 3.128 11.367 8.399 396 HA ASP 53 HA ASP 53 4.418 10.236 6.124 397 HB2 ASP 53 2HB ASP 53 5.714 11.219 8.679 398 HB3 ASP 53 1HB ASP 53 6.570 10.785 7.213 399 H ARG 54 H ARG 54 5.434 8.448 5.809 400 HA ARG 54 HA ARG 54 5.994 6.306 5.954 401 HB2 ARG 54 2HB ARG 54 6.747 7.138 8.754 402 HB3 ARG 54 1HB ARG 54 7.038 5.517 8.154 403 HG2 ARG 54 2HG ARG 54 8.438 6.538 6.393 404 HG3 ARG 54 1HG ARG 54 8.215 8.094 7.211 405 HD2 ARG 54 2HD ARG 54 9.110 7.202 9.261 406 HD3 ARG 54 1HD ARG 54 9.245 5.601 8.539 407 HE ARG 54 HE ARG 54 10.664 7.773 7.315 408 HH11 ARG 54 1HH1 ARG 54 10.821 4.948 9.448 409 HH12 ARG 54 2HH1 ARG 54 12.507 4.737 9.315 410 HH21 ARG 54 1HH2 ARG 54 13.067 7.438 7.114 411 HH22 ARG 54 2HH2 ARG 54 13.776 6.139 7.935 412 H CYS 55 H CYS 55 3.129 7.048 6.741 413 HA CYS 55 HA CYS 55 2.359 5.199 8.754 414 HB2 CYS 55 2HB CYS 55 0.085 5.668 8.014 415 HB3 CYS 55 1HB CYS 55 1.020 7.157 8.149 416 H ASN 56 H ASN 56 3.146 4.802 5.447 417 HA ASN 56 HA ASN 56 1.603 2.391 5.308 418 HB2 ASN 56 2HB ASN 56 2.165 2.269 2.909 419 HB3 ASN 56 1HB ASN 56 1.477 3.831 3.322 420 HD21 ASN 56 1HD2 ASN 56 2.820 3.234 1.037 421 HD22 ASN 56 2HD2 ASN 56 4.322 4.089 0.965 422 H LYS 57 H LYS 57 2.832 1.551 7.034 423 HA LYS 57 HA LYS 57 5.078 0.017 6.064 424 HB2 LYS 57 2HB LYS 57 6.254 0.348 8.222 425 HB3 LYS 57 1HB LYS 57 6.070 1.831 7.291 426 HG2 LYS 57 2HG LYS 57 4.318 2.588 8.737 427 HG3 LYS 57 1HG LYS 57 4.313 1.045 9.594 428 HD2 LYS 57 2HD LYS 57 6.579 1.456 10.383 429 HD3 LYS 57 1HD LYS 57 6.631 2.972 9.482 430 HE2 LYS 57 2HE LYS 57 6.162 3.313 11.876 431 HE3 LYS 57 1HE LYS 57 4.856 3.884 10.841 432 HZ1 LYS 57 3HZ LYS 57 4.866 1.266 12.254 433 HZ2 LYS 57 1HZ LYS 57 3.609 1.911 11.345 434 HZ3 LYS 57 2HZ LYS 57 4.056 2.652 12.784 Start of MODEL 4 1 H1 LEU 1 1HT LEU 1 3.189 15.187 1.976 2 H2 LEU 1 2HT LEU 1 3.809 14.421 0.607 3 H3 LEU 1 3HT LEU 1 4.827 15.227 1.639 4 HA LEU 1 HA LEU 1 4.445 13.670 3.381 5 HB2 LEU 1 2HB LEU 1 2.558 12.455 1.400 6 HB3 LEU 1 1HB LEU 1 3.306 11.493 2.649 7 HG LEU 1 HG LEU 1 1.346 13.765 3.034 8 HD11 LEU 1 2HD1 LEU 1 -0.001 12.011 4.021 9 HD12 LEU 1 3HD1 LEU 1 1.266 10.838 3.649 10 HD13 LEU 1 1HD1 LEU 1 0.407 11.646 2.340 11 HD21 LEU 1 1HD2 LEU 1 1.558 13.225 5.434 12 HD22 LEU 1 2HD2 LEU 1 3.042 13.901 4.767 13 HD23 LEU 1 3HD2 LEU 1 2.919 12.166 5.046 14 H LYS 2 H LYS 2 5.978 12.272 3.647 15 HA LYS 2 HA LYS 2 7.096 11.107 1.263 16 HB2 LYS 2 2HB LYS 2 9.200 10.775 2.713 17 HB3 LYS 2 1HB LYS 2 8.831 12.403 2.189 18 HG2 LYS 2 2HG LYS 2 7.825 12.823 4.447 19 HG3 LYS 2 1HG LYS 2 8.416 11.229 4.938 20 HD2 LYS 2 2HD LYS 2 10.684 11.873 4.540 21 HD3 LYS 2 1HD LYS 2 10.183 13.387 3.799 22 HE2 LYS 2 2HE LYS 2 10.982 13.874 6.004 23 HE3 LYS 2 1HE LYS 2 9.238 14.076 5.997 24 HZ1 LYS 2 3HZ LYS 2 10.668 11.685 7.042 25 HZ2 LYS 2 1HZ LYS 2 9.000 11.962 7.181 26 HZ3 LYS 2 2HZ LYS 2 10.089 12.945 7.965 27 H CYS 3 H CYS 3 6.644 9.031 0.972 28 HA CYS 3 HA CYS 3 5.841 7.480 3.355 29 HB2 CYS 3 2HB CYS 3 4.529 7.146 0.651 30 HB3 CYS 3 1HB CYS 3 3.974 6.588 2.237 31 H PHE 4 H PHE 4 5.855 5.056 2.897 32 HA PHE 4 HA PHE 4 8.417 4.460 1.664 33 HB2 PHE 4 2HB PHE 4 6.493 2.617 3.098 34 HB3 PHE 4 1HB PHE 4 8.102 2.196 2.554 35 HD1 PHE 4 2HD PHE 4 10.051 3.525 3.623 36 HD2 PHE 4 1HD PHE 4 6.130 3.350 5.228 37 HE1 PHE 4 2HE PHE 4 10.935 4.112 5.830 38 HE2 PHE 4 1HE PHE 4 7.000 3.932 7.441 39 HZ PHE 4 HZ PHE 4 9.407 4.311 7.756 40 H GLN 5 H GLN 5 7.719 4.836 -0.527 41 HA GLN 5 HA GLN 5 5.589 3.249 -1.652 42 HB2 GLN 5 2HB GLN 5 6.344 5.296 -2.793 43 HB3 GLN 5 1HB GLN 5 7.893 4.536 -3.140 44 HG2 GLN 5 2HG GLN 5 6.713 2.823 -4.474 45 HG3 GLN 5 1HG GLN 5 5.200 3.664 -4.196 46 HE21 GLN 5 1HE2 GLN 5 6.521 6.304 -4.452 47 HE22 GLN 5 2HE2 GLN 5 6.825 6.505 -6.124 48 H HIS 6 H HIS 6 9.050 2.857 -1.535 49 HA HIS 6 HA HIS 6 8.787 0.191 -2.795 50 HB2 HIS 6 2HB HIS 6 11.299 1.814 -2.311 51 HB3 HIS 6 1HB HIS 6 11.186 0.310 -3.210 52 HD1 HIS 6 1HD HIS 6 9.650 0.544 -5.518 53 HD2 HIS 6 2HD HIS 6 11.095 4.035 -3.788 54 HE1 HIS 6 1HE HIS 6 9.484 2.327 -7.290 55 H GLY 7 H GLY 7 8.514 1.318 0.094 56 HA2 GLY 7 2HA GLY 7 8.828 0.175 2.168 57 HA3 GLY 7 1HA GLY 7 10.154 -0.733 1.428 58 H LYS 8 H LYS 8 10.812 1.883 0.171 59 HA LYS 8 HA LYS 8 12.501 3.028 2.267 60 HB2 LYS 8 2HB LYS 8 12.623 3.250 -0.750 61 HB3 LYS 8 1HB LYS 8 13.777 3.953 0.373 62 HG2 LYS 8 2HG LYS 8 14.478 1.778 1.091 63 HG3 LYS 8 1HG LYS 8 13.235 1.017 0.093 64 HD2 LYS 8 2HD LYS 8 14.308 1.898 -1.902 65 HD3 LYS 8 1HD LYS 8 15.542 2.673 -0.909 66 HE2 LYS 8 2HE LYS 8 15.016 -0.294 -1.042 67 HE3 LYS 8 1HE LYS 8 16.317 0.545 -1.883 68 HZ1 LYS 8 3HZ LYS 8 17.144 -0.430 0.135 69 HZ2 LYS 8 1HZ LYS 8 15.997 0.375 1.082 70 HZ3 LYS 8 2HZ LYS 8 17.201 1.225 0.259 71 H VAL 9 H VAL 9 12.505 5.302 2.435 72 HA VAL 9 HA VAL 9 9.929 6.491 2.118 73 HB VAL 9 HB VAL 9 12.540 7.758 2.985 74 HG11 VAL 9 1HG1 VAL 9 11.132 9.454 4.051 75 HG12 VAL 9 2HG1 VAL 9 9.700 8.688 3.363 76 HG13 VAL 9 3HG1 VAL 9 10.906 9.419 2.302 77 HG21 VAL 9 3HG2 VAL 9 11.649 7.454 5.265 78 HG22 VAL 9 1HG2 VAL 9 11.988 5.929 4.437 79 HG23 VAL 9 2HG2 VAL 9 10.331 6.505 4.580 80 H VAL 10 H VAL 10 9.215 7.492 0.374 81 HA VAL 10 HA VAL 10 11.172 8.812 -1.345 82 HB VAL 10 HB VAL 10 9.789 8.377 -3.283 83 HG11 VAL 10 1HG1 VAL 10 10.249 5.832 -1.753 84 HG12 VAL 10 2HG1 VAL 10 11.412 6.677 -2.774 85 HG13 VAL 10 3HG1 VAL 10 9.973 5.951 -3.492 86 HG21 VAL 10 3HG2 VAL 10 7.584 8.443 -2.245 87 HG22 VAL 10 1HG2 VAL 10 7.901 6.903 -1.442 88 HG23 VAL 10 2HG2 VAL 10 7.777 6.975 -3.202 89 H THR 11 H THR 11 10.483 10.778 -2.236 90 HA THR 11 HA THR 11 8.621 12.187 -0.570 91 HB THR 11 HB THR 11 10.283 13.100 -2.936 92 HG1 THR 11 1HG THR 11 10.687 13.307 -0.125 93 HG21 THR 11 3HG2 THR 11 9.862 15.372 -2.078 94 HG22 THR 11 1HG2 THR 11 8.841 14.705 -0.804 95 HG23 THR 11 2HG2 THR 11 8.347 14.571 -2.489 96 H CYS 12 H CYS 12 6.525 12.016 -1.035 97 HA CYS 12 HA CYS 12 5.586 11.414 -3.697 98 HB2 CYS 12 2HB CYS 12 4.004 12.197 -1.250 99 HB3 CYS 12 1HB CYS 12 3.473 11.252 -2.640 100 H HIS 13 H HIS 13 4.482 12.973 -5.004 101 HA HIS 13 HA HIS 13 5.384 15.619 -4.660 102 HB2 HIS 13 2HB HIS 13 4.812 14.473 -6.860 103 HB3 HIS 13 1HB HIS 13 3.120 14.766 -6.478 104 HD1 HIS 13 1HD HIS 13 2.246 16.902 -7.600 105 HD2 HIS 13 2HD HIS 13 6.324 17.040 -6.757 106 HE1 HIS 13 1HE HIS 13 3.048 19.105 -8.414 107 H ARG 14 H ARG 14 3.772 17.501 -4.823 108 HA ARG 14 HA ARG 14 2.477 17.732 -2.341 109 HB2 ARG 14 2HB ARG 14 2.359 19.500 -4.768 110 HB3 ARG 14 1HB ARG 14 1.723 19.932 -3.187 111 HG2 ARG 14 2HG ARG 14 3.972 19.766 -2.238 112 HG3 ARG 14 1HG ARG 14 4.596 19.318 -3.824 113 HD2 ARG 14 2HD ARG 14 4.959 21.700 -3.299 114 HD3 ARG 14 1HD ARG 14 3.976 21.462 -4.737 115 HE ARG 14 HE ARG 14 2.073 21.761 -2.963 116 HH11 ARG 14 1HH1 ARG 14 5.103 23.630 -3.097 117 HH12 ARG 14 2HH1 ARG 14 4.355 25.054 -2.529 118 HH21 ARG 14 1HH2 ARG 14 1.105 23.743 -2.265 119 HH22 ARG 14 2HH2 ARG 14 2.086 25.123 -2.069 120 H ASP 15 H ASP 15 1.321 16.352 -5.165 121 HA ASP 15 HA ASP 15 -1.468 17.029 -4.769 122 HB2 ASP 15 2HB ASP 15 -0.228 14.883 -6.506 123 HB3 ASP 15 1HB ASP 15 -1.910 15.392 -6.544 124 H MET 16 H MET 16 0.791 14.628 -3.837 125 HA MET 16 HA MET 16 -1.189 12.694 -3.121 126 HB2 MET 16 2HB MET 16 1.811 12.693 -2.920 127 HB3 MET 16 1HB MET 16 0.828 11.394 -2.270 128 HG2 MET 16 2HG MET 16 1.576 10.717 -4.345 129 HG3 MET 16 1HG MET 16 -0.140 11.057 -4.462 130 HE1 MET 16 3HE MET 16 0.945 11.929 -8.012 131 HE2 MET 16 1HE MET 16 -0.248 11.171 -6.937 132 HE3 MET 16 2HE MET 16 1.417 10.596 -6.928 133 H LYS 17 H LYS 17 -2.376 13.189 -1.496 134 HA LYS 17 HA LYS 17 -1.196 14.458 0.850 135 HB2 LYS 17 2HB LYS 17 -4.083 13.956 0.144 136 HB3 LYS 17 1HB LYS 17 -3.506 14.894 1.511 137 HG2 LYS 17 2HG LYS 17 -2.478 16.493 -0.051 138 HG3 LYS 17 1HG LYS 17 -3.121 15.559 -1.401 139 HD2 LYS 17 2HD LYS 17 -5.403 15.961 -0.544 140 HD3 LYS 17 1HD LYS 17 -4.715 16.952 0.745 141 HE2 LYS 17 2HE LYS 17 -3.713 18.418 -0.985 142 HE3 LYS 17 1HE LYS 17 -4.527 17.467 -2.217 143 HZ1 LYS 17 3HZ LYS 17 -5.775 19.461 -1.691 144 HZ2 LYS 17 1HZ LYS 17 -5.886 18.997 -0.066 145 HZ3 LYS 17 2HZ LYS 17 -6.651 18.097 -1.261 146 H PHE 18 H PHE 18 -1.863 11.392 -0.270 147 HA PHE 18 HA PHE 18 -2.077 10.350 2.461 148 HB2 PHE 18 2HB PHE 18 -3.617 9.337 0.060 149 HB3 PHE 18 1HB PHE 18 -3.582 8.587 1.645 150 HD1 PHE 18 1HD PHE 18 -4.863 11.368 -0.354 151 HD2 PHE 18 2HD PHE 18 -4.857 9.515 3.477 152 HE1 PHE 18 1HE PHE 18 -6.804 12.690 0.268 153 HE2 PHE 18 2HE PHE 18 -6.821 10.849 4.117 154 HZ PHE 18 HZ PHE 18 -7.801 12.439 2.516 155 H CYS 19 H CYS 19 -0.979 8.451 2.765 156 HA CYS 19 HA CYS 19 0.691 7.498 0.557 157 HB2 CYS 19 2HB CYS 19 0.650 6.548 3.441 158 HB3 CYS 19 1HB CYS 19 1.911 6.306 2.242 159 H TYR 20 H TYR 20 0.163 5.370 -0.270 160 HA TYR 20 HA TYR 20 -2.098 4.209 1.145 161 HB2 TYR 20 2HB TYR 20 -3.009 3.223 -0.872 162 HB3 TYR 20 1HB TYR 20 -2.848 4.952 -1.075 163 HD1 TYR 20 2HD TYR 20 -1.595 1.642 -2.153 164 HD2 TYR 20 1HD TYR 20 -1.396 5.835 -2.753 165 HE1 TYR 20 2HE TYR 20 -0.496 1.261 -4.290 166 HE2 TYR 20 1HE TYR 20 -0.321 5.496 -4.898 167 HH TYR 20 HH TYR 20 -0.261 2.524 -6.438 168 H HIS 21 H HIS 21 -2.295 2.105 1.376 169 HA HIS 21 HA HIS 21 0.143 0.546 0.967 170 HB2 HIS 21 2HB HIS 21 -0.097 1.259 3.348 171 HB3 HIS 21 1HB HIS 21 -1.688 0.500 3.393 172 HD1 HIS 21 1HD HIS 21 -0.456 -0.826 5.471 173 HD2 HIS 21 2HD HIS 21 0.850 -1.714 1.632 174 HE1 HIS 21 1HE HIS 21 0.790 -3.016 5.641 175 H ASN 22 H ASN 22 -0.595 -0.634 -0.746 176 HA ASN 22 HA ASN 22 -3.119 -2.026 -0.410 177 HB2 ASN 22 2HB ASN 22 -2.855 -0.891 -2.542 178 HB3 ASN 22 1HB ASN 22 -1.302 -1.660 -2.807 179 HD21 ASN 22 1HD2 ASN 22 -4.674 -1.998 -2.873 180 HD22 ASN 22 2HD2 ASN 22 -4.785 -3.530 -3.654 181 H THR 23 H THR 23 -2.996 -3.875 0.503 182 HA THR 23 HA THR 23 -0.487 -5.202 0.837 183 HB THR 23 HB THR 23 -1.948 -6.871 2.084 184 HG1 THR 23 1HG THR 23 -3.971 -6.669 1.456 185 HG21 THR 23 3HG2 THR 23 -2.375 -5.351 3.962 186 HG22 THR 23 1HG2 THR 23 -2.182 -3.967 2.889 187 HG23 THR 23 2HG2 THR 23 -0.805 -5.011 3.233 188 H GLY 24 H GLY 24 -3.278 -5.434 -1.172 189 HA2 GLY 24 2HA GLY 24 -3.704 -6.597 -3.042 190 HA3 GLY 24 1HA GLY 24 -2.007 -7.055 -3.078 191 H MET 25 H MET 25 -2.318 -9.122 -3.621 192 HA MET 25 HA MET 25 -4.094 -10.777 -2.037 193 HB2 MET 25 2HB MET 25 -2.509 -11.319 -4.550 194 HB3 MET 25 1HB MET 25 -3.423 -12.560 -3.705 195 HG2 MET 25 2HG MET 25 -5.486 -11.379 -4.094 196 HG3 MET 25 1HG MET 25 -4.610 -10.025 -4.797 197 HE1 MET 25 3HE MET 25 -3.374 -11.438 -8.202 198 HE2 MET 25 1HE MET 25 -2.476 -11.286 -6.692 199 HE3 MET 25 2HE MET 25 -3.567 -10.003 -7.199 200 HA PRO 26 HA PRO 26 -0.702 -12.219 0.414 201 HB2 PRO 26 2HB PRO 26 -1.890 -14.396 1.502 202 HB3 PRO 26 1HB PRO 26 -2.286 -12.751 2.020 203 HG2 PRO 26 2HG PRO 26 -3.735 -14.548 0.127 204 HG3 PRO 26 1HG PRO 26 -4.407 -13.503 1.399 205 HD2 PRO 26 2HD PRO 26 -4.367 -12.839 -1.238 206 HD3 PRO 26 1HD PRO 26 -4.272 -11.626 0.065 207 H PHE 27 H PHE 27 0.961 -13.245 -0.331 208 HA PHE 27 HA PHE 27 0.587 -15.726 -1.833 209 HB2 PHE 27 2HB PHE 27 2.484 -13.467 -2.409 210 HB3 PHE 27 1HB PHE 27 2.670 -15.070 -3.125 211 HD1 PHE 27 1HD PHE 27 0.359 -15.920 -4.217 212 HD2 PHE 27 2HD PHE 27 1.505 -11.862 -3.685 213 HE1 PHE 27 1HE PHE 27 -1.107 -15.266 -6.054 214 HE2 PHE 27 2HE PHE 27 0.019 -11.208 -5.544 215 HZ PHE 27 HZ PHE 27 -1.286 -12.925 -6.726 216 H ARG 28 H ARG 28 2.073 -17.323 -1.513 217 HA ARG 28 HA ARG 28 3.123 -17.395 1.123 218 HB2 ARG 28 2HB ARG 28 3.331 -19.354 -1.152 219 HB3 ARG 28 1HB ARG 28 3.869 -19.678 0.487 220 HG2 ARG 28 2HG ARG 28 1.606 -19.371 1.307 221 HG3 ARG 28 1HG ARG 28 1.046 -19.023 -0.329 222 HD2 ARG 28 2HD ARG 28 2.299 -21.601 0.600 223 HD3 ARG 28 1HD ARG 28 0.579 -21.329 0.336 224 HE ARG 28 HE ARG 28 1.618 -20.660 -2.024 225 HH11 ARG 28 1HH1 ARG 28 2.106 -23.524 0.009 226 HH12 ARG 28 2HH1 ARG 28 2.346 -24.584 -1.298 227 HH21 ARG 28 1HH2 ARG 28 1.931 -22.139 -3.815 228 HH22 ARG 28 2HH2 ARG 28 2.276 -23.783 -3.507 229 H ASN 29 H ASN 29 4.881 -16.516 1.727 230 HA ASN 29 HA ASN 29 7.030 -15.883 1.968 231 HB2 ASN 29 2HB ASN 29 7.490 -18.303 1.291 232 HB3 ASN 29 1HB ASN 29 7.734 -17.720 -0.350 233 HD21 ASN 29 1HD2 ASN 29 9.883 -18.358 -0.408 234 HD22 ASN 29 2HD2 ASN 29 11.126 -17.568 0.459 235 H LEU 30 H LEU 30 5.185 -14.565 0.137 236 HA LEU 30 HA LEU 30 7.185 -13.080 -1.382 237 HB2 LEU 30 2HB LEU 30 5.861 -14.608 -2.851 238 HB3 LEU 30 1HB LEU 30 4.405 -13.820 -2.322 239 HG LEU 30 HG LEU 30 5.086 -13.198 -4.603 240 HD11 LEU 30 1HD1 LEU 30 4.892 -10.792 -4.476 241 HD12 LEU 30 2HD1 LEU 30 5.148 -10.873 -2.733 242 HD13 LEU 30 3HD1 LEU 30 3.725 -11.627 -3.453 243 HD21 LEU 30 3HD2 LEU 30 7.492 -11.956 -3.309 244 HD22 LEU 30 1HD2 LEU 30 7.019 -11.761 -4.995 245 HD23 LEU 30 2HD2 LEU 30 7.484 -13.352 -4.389 246 H LYS 31 H LYS 31 7.107 -11.011 -0.975 247 HA LYS 31 HA LYS 31 4.891 -9.990 0.645 248 HB2 LYS 31 2HB LYS 31 7.692 -8.908 0.296 249 HB3 LYS 31 1HB LYS 31 6.427 -8.104 1.211 250 HG2 LYS 31 2HG LYS 31 6.327 -10.038 2.720 251 HG3 LYS 31 1HG LYS 31 7.642 -10.787 1.817 252 HD2 LYS 31 2HD LYS 31 9.113 -8.932 2.379 253 HD3 LYS 31 1HD LYS 31 7.794 -8.125 3.226 254 HE2 LYS 31 2HE LYS 31 8.955 -10.810 3.965 255 HE3 LYS 31 1HE LYS 31 9.340 -9.285 4.759 256 HZ1 LYS 31 3HZ LYS 31 7.029 -9.084 5.422 257 HZ2 LYS 31 1HZ LYS 31 7.677 -10.527 5.982 258 HZ3 LYS 31 2HZ LYS 31 6.638 -10.535 4.660 259 H LEU 32 H LEU 32 3.447 -9.480 -0.863 260 HA LEU 32 HA LEU 32 4.149 -8.001 -3.206 261 HB2 LEU 32 2HB LEU 32 2.275 -9.626 -3.124 262 HB3 LEU 32 1HB LEU 32 1.435 -8.565 -2.012 263 HG LEU 32 HG LEU 32 1.339 -6.833 -3.761 264 HD11 LEU 32 1HD1 LEU 32 2.563 -8.973 -5.490 265 HD12 LEU 32 2HD1 LEU 32 3.297 -7.429 -5.049 266 HD13 LEU 32 3HD1 LEU 32 1.866 -7.465 -6.076 267 HD21 LEU 32 3HD2 LEU 32 -0.344 -7.934 -5.140 268 HD22 LEU 32 1HD2 LEU 32 -0.511 -8.389 -3.444 269 HD23 LEU 32 2HD2 LEU 32 0.234 -9.507 -4.582 270 H ILE 33 H ILE 33 4.716 -5.932 -3.026 271 HA ILE 33 HA ILE 33 3.355 -4.334 -1.009 272 HB ILE 33 HB ILE 33 6.206 -4.182 -2.003 273 HG12 ILE 33 2HG1 ILE 33 5.807 -5.774 -0.196 274 HG13 ILE 33 1HG1 ILE 33 6.776 -4.421 0.377 275 HG21 ILE 33 1HG2 ILE 33 6.548 -2.182 -0.640 276 HG22 ILE 33 2HG2 ILE 33 4.828 -2.139 -0.267 277 HG23 ILE 33 3HG2 ILE 33 5.373 -1.893 -1.926 278 HD11 ILE 33 3HD1 ILE 33 5.151 -4.986 2.056 279 HD12 ILE 33 1HD1 ILE 33 3.834 -4.872 0.880 280 HD13 ILE 33 2HD1 ILE 33 4.716 -3.429 1.335 281 H LEU 34 H LEU 34 1.745 -3.418 -2.098 282 HA LEU 34 HA LEU 34 2.601 -1.696 -4.284 283 HB2 LEU 34 2HB LEU 34 -0.087 -2.883 -3.693 284 HB3 LEU 34 1HB LEU 34 0.019 -1.390 -4.608 285 HG LEU 34 HG LEU 34 1.429 -2.704 -6.260 286 HD11 LEU 34 1HD1 LEU 34 0.341 -5.034 -4.714 287 HD12 LEU 34 2HD1 LEU 34 2.035 -4.557 -4.829 288 HD13 LEU 34 3HD1 LEU 34 1.175 -5.114 -6.266 289 HD21 LEU 34 3HD2 LEU 34 -0.537 -3.679 -7.327 290 HD22 LEU 34 1HD2 LEU 34 -0.871 -2.081 -6.655 291 HD23 LEU 34 2HD2 LEU 34 -1.430 -3.523 -5.810 292 H GLN 35 H GLN 35 3.502 -0.709 -2.314 293 HA GLN 35 HA GLN 35 1.584 1.070 -1.042 294 HB2 GLN 35 2HB GLN 35 4.500 0.549 -0.555 295 HB3 GLN 35 1HB GLN 35 3.571 1.765 0.318 296 HG2 GLN 35 2HG GLN 35 2.146 0.039 1.215 297 HG3 GLN 35 1HG GLN 35 3.007 -1.190 0.291 298 HE21 GLN 35 1HE2 GLN 35 5.595 0.149 0.803 299 HE22 GLN 35 2HE2 GLN 35 5.961 -0.246 2.444 300 H GLY 36 H GLY 36 1.417 3.102 -1.659 301 HA2 GLY 36 2HA GLY 36 3.616 4.298 -3.126 302 HA3 GLY 36 1HA GLY 36 2.065 4.187 -3.956 303 H CYS 37 H CYS 37 2.248 6.441 -4.049 304 HA CYS 37 HA CYS 37 1.311 7.770 -1.617 305 HB2 CYS 37 2HB CYS 37 2.677 8.985 -4.026 306 HB3 CYS 37 1HB CYS 37 2.299 9.745 -2.481 307 H SER 38 H SER 38 -0.719 8.803 -1.917 308 HA SER 38 HA SER 38 -1.727 8.894 -4.651 309 HB2 SER 38 2HB SER 38 -2.637 6.859 -3.804 310 HB3 SER 38 1HB SER 38 -3.166 7.610 -2.301 311 HG SER 38 HG SER 38 -4.917 8.206 -3.305 312 H SER 39 H SER 39 -3.318 10.393 -5.028 313 HA SER 39 HA SER 39 -3.062 12.779 -3.455 314 HB2 SER 39 2HB SER 39 -3.143 12.684 -5.971 315 HB3 SER 39 1HB SER 39 -4.841 12.248 -5.841 316 HG SER 39 HG SER 39 -3.658 14.550 -4.727 317 H SER 40 H SER 40 -5.687 10.528 -4.200 318 HA SER 40 HA SER 40 -7.123 11.657 -1.916 319 HB2 SER 40 2HB SER 40 -8.237 10.401 -4.442 320 HB3 SER 40 1HB SER 40 -9.189 11.036 -3.100 321 HG SER 40 HG SER 40 -8.693 13.025 -3.622 322 H CYS 41 H CYS 41 -8.943 9.719 -1.383 323 HA CYS 41 HA CYS 41 -7.358 7.278 -1.143 324 HB2 CYS 41 2HB CYS 41 -7.355 8.410 1.005 325 HB3 CYS 41 1HB CYS 41 -9.105 8.561 0.966 326 H SER 42 H SER 42 -8.417 5.379 -1.498 327 HA SER 42 HA SER 42 -11.005 5.527 -2.702 328 HB2 SER 42 2HB SER 42 -10.341 3.075 -3.107 329 HB3 SER 42 1HB SER 42 -9.395 4.329 -3.920 330 HG SER 42 HG SER 42 -8.601 2.464 -2.200 331 H GLU 43 H GLU 43 -12.444 3.500 -2.131 332 HA GLU 43 HA GLU 43 -12.847 3.542 0.764 333 HB2 GLU 43 2HB GLU 43 -15.021 2.529 0.287 334 HB3 GLU 43 1HB GLU 43 -14.778 3.959 -0.700 335 HG2 GLU 43 2HG GLU 43 -14.327 2.638 -2.635 336 HG3 GLU 43 1HG GLU 43 -14.299 1.158 -1.680 337 H THR 44 H THR 44 -10.708 1.916 -0.685 338 HA THR 44 HA THR 44 -11.503 -0.801 -0.443 339 HB THR 44 HB THR 44 -9.012 -1.025 -1.041 340 HG1 THR 44 1HG THR 44 -8.498 1.130 -0.377 341 HG21 THR 44 3HG2 THR 44 -10.897 0.455 -2.891 342 HG22 THR 44 1HG2 THR 44 -10.846 -1.293 -2.677 343 HG23 THR 44 2HG2 THR 44 -9.472 -0.453 -3.397 344 H GLU 45 H GLU 45 -10.735 -2.231 1.088 345 HA GLU 45 HA GLU 45 -9.414 -1.066 3.425 346 HB2 GLU 45 2HB GLU 45 -10.650 -3.786 3.063 347 HB3 GLU 45 1HB GLU 45 -10.009 -3.141 4.567 348 HG2 GLU 45 2HG GLU 45 -11.714 -1.369 4.474 349 HG3 GLU 45 1HG GLU 45 -12.393 -2.143 3.042 350 H ASN 46 H ASN 46 -9.011 -3.220 0.779 351 HA ASN 46 HA ASN 46 -6.609 -4.464 1.707 352 HB2 ASN 46 2HB ASN 46 -8.096 -5.483 -0.019 353 HB3 ASN 46 1HB ASN 46 -7.662 -4.183 -1.120 354 HD21 ASN 46 1HD2 ASN 46 -6.580 -7.060 0.479 355 HD22 ASN 46 2HD2 ASN 46 -5.188 -7.332 -0.512 356 H ASN 47 H ASN 47 -7.486 -1.528 0.043 357 HA ASN 47 HA ASN 47 -4.680 -0.808 -0.016 358 HB2 ASN 47 2HB ASN 47 -5.628 -0.827 -2.239 359 HB3 ASN 47 1HB ASN 47 -6.966 0.193 -1.722 360 HD21 ASN 47 1HD2 ASN 47 -6.630 2.382 -1.477 361 HD22 ASN 47 2HD2 ASN 47 -5.164 3.132 -1.971 362 H LYS 48 H LYS 48 -4.469 -0.006 1.823 363 HA LYS 48 HA LYS 48 -6.493 1.642 3.111 364 HB2 LYS 48 2HB LYS 48 -3.812 0.615 4.026 365 HB3 LYS 48 1HB LYS 48 -4.868 1.619 5.007 366 HG2 LYS 48 2HG LYS 48 -6.574 -0.074 4.940 367 HG3 LYS 48 1HG LYS 48 -5.569 -1.093 3.910 368 HD2 LYS 48 2HD LYS 48 -3.950 -1.364 5.656 369 HD3 LYS 48 1HD LYS 48 -4.757 -0.156 6.656 370 HE2 LYS 48 2HE LYS 48 -5.229 -2.419 7.422 371 HE3 LYS 48 1HE LYS 48 -6.694 -1.604 6.890 372 HZ1 LYS 48 3HZ LYS 48 -6.625 -3.883 6.146 373 HZ2 LYS 48 1HZ LYS 48 -5.188 -3.666 5.322 374 HZ3 LYS 48 2HZ LYS 48 -6.580 -2.887 4.806 375 H CYS 49 H CYS 49 -6.028 3.765 3.853 376 HA CYS 49 HA CYS 49 -3.684 4.982 2.616 377 HB2 CYS 49 2HB CYS 49 -4.977 6.969 2.093 378 HB3 CYS 49 1HB CYS 49 -5.724 5.572 1.323 379 H CYS 50 H CYS 50 -2.668 6.427 3.893 380 HA CYS 50 HA CYS 50 -3.946 7.252 6.351 381 HB2 CYS 50 2HB CYS 50 -1.730 6.794 7.513 382 HB3 CYS 50 1HB CYS 50 -2.653 5.362 7.069 383 H SER 51 H SER 51 -3.157 9.329 7.040 384 HA SER 51 HA SER 51 -1.499 10.563 4.992 385 HB2 SER 51 2HB SER 51 -3.832 11.349 4.903 386 HB3 SER 51 1HB SER 51 -3.722 11.882 6.580 387 HG SER 51 HG SER 51 -2.459 12.888 4.272 388 H THR 52 H THR 52 0.181 9.662 6.485 389 HA THR 52 HA THR 52 1.165 11.902 8.022 390 HB THR 52 HB THR 52 1.568 9.167 9.152 391 HG1 THR 52 1HG THR 52 -0.792 10.703 9.301 392 HG21 THR 52 3HG2 THR 52 1.457 11.906 10.416 393 HG22 THR 52 1HG2 THR 52 2.910 11.002 9.991 394 HG23 THR 52 2HG2 THR 52 1.841 10.408 11.262 395 H ASP 53 H ASP 53 3.437 11.860 7.896 396 HA ASP 53 HA ASP 53 4.333 10.451 5.575 397 HB2 ASP 53 2HB ASP 53 6.432 11.577 5.736 398 HB3 ASP 53 1HB ASP 53 5.213 12.745 6.207 399 H ARG 54 H ARG 54 5.384 8.674 5.356 400 HA ARG 54 HA ARG 54 6.253 6.622 5.753 401 HB2 ARG 54 2HB ARG 54 7.150 7.822 8.392 402 HB3 ARG 54 1HB ARG 54 7.738 6.316 7.704 403 HG2 ARG 54 2HG ARG 54 8.756 7.502 5.855 404 HG3 ARG 54 1HG ARG 54 8.060 9.022 6.408 405 HD2 ARG 54 2HD ARG 54 10.372 8.964 7.060 406 HD3 ARG 54 1HD ARG 54 9.388 8.807 8.506 407 HE ARG 54 HE ARG 54 11.015 6.726 7.246 408 HH11 ARG 54 1HH1 ARG 54 9.001 7.749 9.990 409 HH12 ARG 54 2HH1 ARG 54 9.511 6.479 10.990 410 HH21 ARG 54 1HH2 ARG 54 11.762 5.012 8.676 411 HH22 ARG 54 2HH2 ARG 54 11.103 4.917 10.246 412 H CYS 55 H CYS 55 3.468 7.336 6.583 413 HA CYS 55 HA CYS 55 2.947 5.626 8.819 414 HB2 CYS 55 2HB CYS 55 0.589 5.978 8.284 415 HB3 CYS 55 1HB CYS 55 1.480 7.495 8.321 416 H ASN 56 H ASN 56 3.172 5.127 5.360 417 HA ASN 56 HA ASN 56 1.761 2.665 5.605 418 HB2 ASN 56 2HB ASN 56 2.109 2.331 3.164 419 HB3 ASN 56 1HB ASN 56 1.374 3.881 3.529 420 HD21 ASN 56 1HD2 ASN 56 2.624 3.195 1.159 421 HD22 ASN 56 2HD2 ASN 56 4.032 4.168 0.938 422 H LYS 57 H LYS 57 3.083 1.882 7.169 423 HA LYS 57 HA LYS 57 5.759 1.086 6.392 424 HB2 LYS 57 2HB LYS 57 6.231 1.021 8.830 425 HB3 LYS 57 1HB LYS 57 5.717 2.594 8.234 426 HG2 LYS 57 2HG LYS 57 3.463 2.197 9.083 427 HG3 LYS 57 1HG LYS 57 3.974 0.629 9.685 428 HD2 LYS 57 2HD LYS 57 5.082 3.283 10.621 429 HD3 LYS 57 1HD LYS 57 3.797 2.409 11.423 430 HE2 LYS 57 2HE LYS 57 5.736 1.874 12.650 431 HE3 LYS 57 1HE LYS 57 5.429 0.478 11.641 432 HZ1 LYS 57 3HZ LYS 57 7.202 1.063 10.209 433 HZ2 LYS 57 1HZ LYS 57 7.768 1.176 11.772 434 HZ3 LYS 57 2HZ LYS 57 7.415 2.585 10.936 Start of MODEL 5 1 H1 LEU 1 1HT LEU 1 4.658 14.346 0.662 2 H2 LEU 1 2HT LEU 1 5.620 15.123 1.799 3 H3 LEU 1 3HT LEU 1 3.949 15.206 1.917 4 HA LEU 1 HA LEU 1 4.888 13.677 3.518 5 HB2 LEU 1 2HB LEU 1 3.124 12.652 1.343 6 HB3 LEU 1 1HB LEU 1 3.653 11.569 2.611 7 HG LEU 1 HG LEU 1 2.113 14.119 3.077 8 HD11 LEU 1 2HD1 LEU 1 0.245 12.595 3.565 9 HD12 LEU 1 3HD1 LEU 1 1.257 11.229 3.091 10 HD13 LEU 1 1HD1 LEU 1 0.784 12.430 1.889 11 HD21 LEU 1 1HD2 LEU 1 1.837 13.140 5.332 12 HD22 LEU 1 2HD2 LEU 1 3.520 13.503 4.946 13 HD23 LEU 1 3HD2 LEU 1 2.944 11.846 4.867 14 H LYS 2 H LYS 2 6.329 12.180 4.006 15 HA LYS 2 HA LYS 2 7.650 10.990 1.732 16 HB2 LYS 2 2HB LYS 2 9.631 10.659 3.199 17 HB3 LYS 2 1HB LYS 2 9.208 12.353 3.023 18 HG2 LYS 2 2HG LYS 2 8.153 12.322 5.207 19 HG3 LYS 2 1HG LYS 2 8.546 10.610 5.384 20 HD2 LYS 2 2HD LYS 2 10.195 11.777 6.599 21 HD3 LYS 2 1HD LYS 2 10.970 11.287 5.099 22 HE2 LYS 2 2HE LYS 2 11.574 13.569 5.647 23 HE3 LYS 2 1HE LYS 2 10.593 13.547 4.182 24 HZ1 LYS 2 3HZ LYS 2 9.975 15.310 5.756 25 HZ2 LYS 2 1HZ LYS 2 9.587 14.168 6.911 26 HZ3 LYS 2 2HZ LYS 2 8.682 14.272 5.501 27 H CYS 3 H CYS 3 7.072 8.986 1.390 28 HA CYS 3 HA CYS 3 6.419 7.300 3.663 29 HB2 CYS 3 2HB CYS 3 4.570 7.736 1.289 30 HB3 CYS 3 1HB CYS 3 4.366 6.472 2.506 31 H PHE 4 H PHE 4 6.111 4.955 2.908 32 HA PHE 4 HA PHE 4 8.520 4.356 1.404 33 HB2 PHE 4 2HB PHE 4 6.577 2.476 2.773 34 HB3 PHE 4 1HB PHE 4 8.128 2.047 2.061 35 HD1 PHE 4 1HD PHE 4 10.220 2.804 3.120 36 HD2 PHE 4 2HD PHE 4 6.432 3.416 4.939 37 HE1 PHE 4 1HE PHE 4 11.324 3.186 5.275 38 HE2 PHE 4 2HE PHE 4 7.524 3.813 7.107 39 HZ PHE 4 HZ PHE 4 9.983 3.693 7.278 40 H GLN 5 H GLN 5 7.303 5.353 -0.436 41 HA GLN 5 HA GLN 5 5.167 3.953 -1.690 42 HB2 GLN 5 2HB GLN 5 5.705 6.406 -1.940 43 HB3 GLN 5 1HB GLN 5 7.033 5.931 -2.981 44 HG2 GLN 5 2HG GLN 5 5.412 4.923 -4.545 45 HG3 GLN 5 1HG GLN 5 4.102 5.471 -3.503 46 HE21 GLN 5 1HE2 GLN 5 7.001 7.258 -4.203 47 HE22 GLN 5 2HE2 GLN 5 6.242 8.528 -5.074 48 H HIS 6 H HIS 6 8.612 3.890 -2.050 49 HA HIS 6 HA HIS 6 8.383 1.754 -4.075 50 HB2 HIS 6 2HB HIS 6 9.844 3.612 -4.744 51 HB3 HIS 6 1HB HIS 6 10.757 3.473 -3.252 52 HD1 HIS 6 1HD HIS 6 10.209 1.607 -6.540 53 HD2 HIS 6 2HD HIS 6 12.839 1.744 -3.327 54 HE1 HIS 6 1HE HIS 6 12.119 0.112 -7.148 55 H GLY 7 H GLY 7 8.582 2.161 -0.864 56 HA2 GLY 7 2HA GLY 7 8.873 0.334 0.671 57 HA3 GLY 7 1HA GLY 7 10.144 -0.297 -0.388 58 H LYS 8 H LYS 8 10.851 2.514 -0.840 59 HA LYS 8 HA LYS 8 12.549 2.990 1.497 60 HB2 LYS 8 2HB LYS 8 12.707 4.004 -1.352 61 HB3 LYS 8 1HB LYS 8 13.805 4.481 -0.067 62 HG2 LYS 8 2HG LYS 8 14.625 2.218 0.117 63 HG3 LYS 8 1HG LYS 8 13.447 1.678 -1.080 64 HD2 LYS 8 2HD LYS 8 14.495 3.063 -2.779 65 HD3 LYS 8 1HD LYS 8 15.624 3.700 -1.587 66 HE2 LYS 8 2HE LYS 8 16.637 1.981 -2.977 67 HE3 LYS 8 1HE LYS 8 16.601 1.502 -1.286 68 HZ1 LYS 8 3HZ LYS 8 14.836 0.497 -3.482 69 HZ2 LYS 8 1HZ LYS 8 14.588 0.131 -1.847 70 HZ3 LYS 8 2HZ LYS 8 15.975 -0.355 -2.623 71 H VAL 9 H VAL 9 12.668 5.168 2.219 72 HA VAL 9 HA VAL 9 10.160 6.524 2.292 73 HB VAL 9 HB VAL 9 12.872 7.489 3.256 74 HG11 VAL 9 1HG1 VAL 9 10.092 8.363 4.017 75 HG12 VAL 9 2HG1 VAL 9 11.255 9.272 3.050 76 HG13 VAL 9 3HG1 VAL 9 11.589 8.942 4.748 77 HG21 VAL 9 3HG2 VAL 9 12.312 5.368 4.317 78 HG22 VAL 9 1HG2 VAL 9 10.738 6.006 4.786 79 HG23 VAL 9 2HG2 VAL 9 12.206 6.693 5.479 80 H VAL 10 H VAL 10 9.536 7.572 0.518 81 HA VAL 10 HA VAL 10 11.499 9.314 -0.773 82 HB VAL 10 HB VAL 10 10.376 9.001 -2.924 83 HG11 VAL 10 1HG1 VAL 10 10.955 6.681 -3.410 84 HG12 VAL 10 2HG1 VAL 10 11.117 6.365 -1.680 85 HG13 VAL 10 3HG1 VAL 10 12.213 7.499 -2.479 86 HG21 VAL 10 3HG2 VAL 10 8.628 6.990 -1.517 87 HG22 VAL 10 1HG2 VAL 10 8.660 7.299 -3.252 88 HG23 VAL 10 2HG2 VAL 10 8.117 8.559 -2.142 89 H THR 11 H THR 11 10.682 11.296 -1.493 90 HA THR 11 HA THR 11 8.442 12.207 0.020 91 HB THR 11 HB THR 11 10.251 13.648 -1.936 92 HG1 THR 11 1HG THR 11 11.272 12.938 -0.039 93 HG21 THR 11 3HG2 THR 11 8.067 14.774 -1.739 94 HG22 THR 11 1HG2 THR 11 9.332 15.720 -0.954 95 HG23 THR 11 2HG2 THR 11 8.215 14.760 0.017 96 H CYS 12 H CYS 12 6.560 11.690 -0.700 97 HA CYS 12 HA CYS 12 5.847 11.379 -3.465 98 HB2 CYS 12 2HB CYS 12 4.151 11.520 -0.957 99 HB3 CYS 12 1HB CYS 12 3.665 10.863 -2.522 100 H HIS 13 H HIS 13 4.780 12.865 -4.679 101 HA HIS 13 HA HIS 13 5.486 15.536 -4.301 102 HB2 HIS 13 2HB HIS 13 4.840 14.214 -6.448 103 HB3 HIS 13 1HB HIS 13 3.201 14.739 -6.087 104 HD1 HIS 13 1HD HIS 13 2.595 16.957 -7.257 105 HD2 HIS 13 2HD HIS 13 6.678 16.491 -6.582 106 HE1 HIS 13 1HE HIS 13 3.690 18.931 -8.285 107 H ARG 14 H ARG 14 3.980 17.389 -4.284 108 HA ARG 14 HA ARG 14 2.506 17.359 -1.876 109 HB2 ARG 14 2HB ARG 14 2.535 19.454 -4.046 110 HB3 ARG 14 1HB ARG 14 1.818 19.678 -2.459 111 HG2 ARG 14 2HG ARG 14 4.730 19.123 -3.003 112 HG3 ARG 14 1HG ARG 14 4.045 20.705 -2.642 113 HD2 ARG 14 2HD ARG 14 3.341 19.872 -0.432 114 HD3 ARG 14 1HD ARG 14 4.037 18.297 -0.806 115 HE ARG 14 HE ARG 14 5.914 20.417 -1.094 116 HH11 ARG 14 1HH1 ARG 14 4.407 18.344 1.349 117 HH12 ARG 14 2HH1 ARG 14 5.696 18.399 2.431 118 HH21 ARG 14 1HH2 ARG 14 7.720 20.532 0.435 119 HH22 ARG 14 2HH2 ARG 14 7.644 19.663 1.891 120 H ASP 15 H ASP 15 1.516 16.546 -5.026 121 HA ASP 15 HA ASP 15 -1.298 17.027 -4.767 122 HB2 ASP 15 2HB ASP 15 0.160 14.975 -6.452 123 HB3 ASP 15 1HB ASP 15 -1.544 15.361 -6.591 124 H MET 16 H MET 16 0.925 14.592 -3.785 125 HA MET 16 HA MET 16 -1.070 12.625 -3.256 126 HB2 MET 16 2HB MET 16 1.940 12.651 -2.897 127 HB3 MET 16 1HB MET 16 0.978 11.350 -2.265 128 HG2 MET 16 2HG MET 16 1.841 10.708 -4.329 129 HG3 MET 16 1HG MET 16 0.101 10.927 -4.465 130 HE1 MET 16 3HE MET 16 -0.004 11.051 -6.959 131 HE2 MET 16 1HE MET 16 1.688 10.540 -6.901 132 HE3 MET 16 2HE MET 16 1.196 11.856 -7.992 133 H LYS 17 H LYS 17 -2.379 13.093 -1.791 134 HA LYS 17 HA LYS 17 -1.580 14.402 0.679 135 HB2 LYS 17 2HB LYS 17 -4.271 13.422 -0.231 136 HB3 LYS 17 1HB LYS 17 -3.956 14.428 1.169 137 HG2 LYS 17 2HG LYS 17 -3.248 16.238 -0.288 138 HG3 LYS 17 1HG LYS 17 -3.520 15.210 -1.703 139 HD2 LYS 17 2HD LYS 17 -5.880 14.976 -1.057 140 HD3 LYS 17 1HD LYS 17 -5.599 16.050 0.313 141 HE2 LYS 17 2HE LYS 17 -6.614 17.246 -1.528 142 HE3 LYS 17 1HE LYS 17 -4.982 17.839 -1.228 143 HZ1 LYS 17 3HZ LYS 17 -4.193 16.609 -3.128 144 HZ2 LYS 17 1HZ LYS 17 -5.480 17.564 -3.569 145 HZ3 LYS 17 2HZ LYS 17 -5.713 15.918 -3.394 146 H PHE 18 H PHE 18 -2.173 11.269 -0.575 147 HA PHE 18 HA PHE 18 -2.462 10.200 2.147 148 HB2 PHE 18 2HB PHE 18 -3.848 9.167 -0.330 149 HB3 PHE 18 1HB PHE 18 -3.992 8.523 1.295 150 HD1 PHE 18 1HD PHE 18 -5.298 9.722 2.985 151 HD2 PHE 18 2HD PHE 18 -5.023 11.136 -1.018 152 HE1 PHE 18 1HE PHE 18 -7.243 11.173 3.364 153 HE2 PHE 18 2HE PHE 18 -6.966 12.586 -0.650 154 HZ PHE 18 HZ PHE 18 -8.082 12.608 1.547 155 H CYS 19 H CYS 19 -1.156 8.543 2.575 156 HA CYS 19 HA CYS 19 0.330 7.354 0.379 157 HB2 CYS 19 2HB CYS 19 0.836 7.176 3.378 158 HB3 CYS 19 1HB CYS 19 1.864 6.582 2.066 159 H TYR 20 H TYR 20 -0.149 5.257 -0.105 160 HA TYR 20 HA TYR 20 -2.244 4.131 1.577 161 HB2 TYR 20 2HB TYR 20 -3.215 3.004 -0.347 162 HB3 TYR 20 1HB TYR 20 -3.133 4.731 -0.621 163 HD1 TYR 20 1HD TYR 20 -1.675 1.453 -1.570 164 HD2 TYR 20 2HD TYR 20 -1.888 5.607 -2.476 165 HE1 TYR 20 1HE TYR 20 -0.639 1.022 -3.719 166 HE2 TYR 20 2HE TYR 20 -0.831 5.175 -4.648 167 HH TYR 20 HH TYR 20 0.605 3.481 -5.655 168 H HIS 21 H HIS 21 -2.445 1.915 1.636 169 HA HIS 21 HA HIS 21 -0.000 0.403 1.246 170 HB2 HIS 21 2HB HIS 21 -0.053 0.889 3.605 171 HB3 HIS 21 1HB HIS 21 -1.779 0.595 3.691 172 HD1 HIS 21 1HD HIS 21 -1.545 -1.138 5.575 173 HD2 HIS 21 2HD HIS 21 0.616 -2.118 2.164 174 HE1 HIS 21 1HE HIS 21 -0.885 -3.551 5.838 175 H ASN 22 H ASN 22 -0.680 -0.697 -0.489 176 HA ASN 22 HA ASN 22 -3.231 -2.113 -0.360 177 HB2 ASN 22 2HB ASN 22 -2.632 -0.844 -2.472 178 HB3 ASN 22 1HB ASN 22 -1.205 -1.849 -2.573 179 HD21 ASN 22 1HD2 ASN 22 -4.589 -1.666 -3.040 180 HD22 ASN 22 2HD2 ASN 22 -4.791 -3.162 -3.863 181 H THR 23 H THR 23 -3.087 -4.117 0.435 182 HA THR 23 HA THR 23 -0.511 -5.438 0.175 183 HB THR 23 HB THR 23 -0.887 -4.798 2.502 184 HG1 THR 23 1HG THR 23 -1.405 -7.560 2.479 185 HG21 THR 23 3HG2 THR 23 -2.750 -5.739 3.827 186 HG22 THR 23 1HG2 THR 23 -3.434 -6.428 2.353 187 HG23 THR 23 2HG2 THR 23 -3.329 -4.678 2.541 188 H GLY 24 H GLY 24 -0.490 -7.410 -0.674 189 HA2 GLY 24 2HA GLY 24 -2.974 -8.463 -1.712 190 HA3 GLY 24 1HA GLY 24 -1.362 -9.112 -2.007 191 H MET 25 H MET 25 -3.199 -10.930 -1.505 192 HA MET 25 HA MET 25 -3.486 -11.449 1.297 193 HB2 MET 25 2HB MET 25 -4.036 -13.231 -1.099 194 HB3 MET 25 1HB MET 25 -4.522 -13.580 0.552 195 HG2 MET 25 2HG MET 25 -5.950 -11.585 0.545 196 HG3 MET 25 1HG MET 25 -5.475 -11.257 -1.114 197 HE1 MET 25 3HE MET 25 -7.982 -11.135 -1.897 198 HE2 MET 25 1HE MET 25 -8.491 -11.405 -0.231 199 HE3 MET 25 2HE MET 25 -9.189 -12.369 -1.530 200 HA PRO 26 HA PRO 26 0.382 -13.426 1.951 201 HB2 PRO 26 2HB PRO 26 -0.321 -15.353 3.783 202 HB3 PRO 26 1HB PRO 26 -0.090 -13.649 4.187 203 HG2 PRO 26 2HG PRO 26 -2.619 -15.155 3.671 204 HG3 PRO 26 1HG PRO 26 -2.283 -13.920 4.896 205 HD2 PRO 26 2HD PRO 26 -3.646 -13.371 2.646 206 HD3 PRO 26 1HD PRO 26 -2.562 -12.186 3.401 207 H PHE 27 H PHE 27 1.072 -14.476 0.188 208 HA PHE 27 HA PHE 27 0.125 -17.217 -0.210 209 HB2 PHE 27 2HB PHE 27 0.942 -15.180 -2.264 210 HB3 PHE 27 1HB PHE 27 0.748 -16.892 -2.652 211 HD1 PHE 27 2HD PHE 27 -1.701 -17.755 -1.696 212 HD2 PHE 27 1HD PHE 27 -0.713 -13.815 -2.956 213 HE1 PHE 27 2HE PHE 27 -4.071 -17.313 -2.162 214 HE2 PHE 27 1HE PHE 27 -3.073 -13.370 -3.425 215 HZ PHE 27 HZ PHE 27 -4.761 -15.117 -3.030 216 H ARG 28 H ARG 28 1.665 -18.743 -0.638 217 HA ARG 28 HA ARG 28 4.195 -18.389 0.485 218 HB2 ARG 28 2HB ARG 28 4.788 -20.595 -0.468 219 HB3 ARG 28 1HB ARG 28 3.226 -20.620 0.325 220 HG2 ARG 28 2HG ARG 28 2.118 -20.543 -1.861 221 HG3 ARG 28 1HG ARG 28 3.692 -20.476 -2.649 222 HD2 ARG 28 2HD ARG 28 4.256 -22.666 -1.748 223 HD3 ARG 28 1HD ARG 28 2.712 -22.734 -0.900 224 HE ARG 28 HE ARG 28 2.091 -22.311 -3.537 225 HH11 ARG 28 1HH1 ARG 28 3.816 -24.878 -1.792 226 HH12 ARG 28 2HH1 ARG 28 3.321 -26.100 -2.863 227 HH21 ARG 28 1HH2 ARG 28 1.426 -24.024 -4.971 228 HH22 ARG 28 2HH2 ARG 28 1.970 -25.611 -4.685 229 H ASN 29 H ASN 29 5.902 -17.420 -0.190 230 HA ASN 29 HA ASN 29 7.570 -16.544 -1.419 231 HB2 ASN 29 2HB ASN 29 6.478 -18.356 -3.556 232 HB3 ASN 29 1HB ASN 29 7.897 -17.345 -3.813 233 HD21 ASN 29 1HD2 ASN 29 9.178 -19.147 -4.163 234 HD22 ASN 29 2HD2 ASN 29 9.688 -20.200 -2.907 235 H LEU 30 H LEU 30 4.567 -15.643 -1.684 236 HA LEU 30 HA LEU 30 5.201 -13.623 -3.691 237 HB2 LEU 30 2HB LEU 30 3.640 -15.119 -4.724 238 HB3 LEU 30 1HB LEU 30 2.579 -15.067 -3.338 239 HG LEU 30 HG LEU 30 2.080 -12.689 -3.843 240 HD11 LEU 30 1HD1 LEU 30 4.133 -12.065 -4.954 241 HD12 LEU 30 2HD1 LEU 30 2.750 -11.748 -6.003 242 HD13 LEU 30 3HD1 LEU 30 3.770 -13.160 -6.287 243 HD21 LEU 30 3HD2 LEU 30 0.718 -13.100 -5.830 244 HD22 LEU 30 1HD2 LEU 30 0.625 -14.451 -4.702 245 HD23 LEU 30 2HD2 LEU 30 1.622 -14.579 -6.151 246 H LYS 31 H LYS 31 5.629 -11.960 -2.479 247 HA LYS 31 HA LYS 31 3.690 -11.167 -0.447 248 HB2 LYS 31 2HB LYS 31 6.001 -11.501 0.402 249 HB3 LYS 31 1HB LYS 31 6.589 -10.366 -0.794 250 HG2 LYS 31 2HG LYS 31 6.462 -9.340 1.422 251 HG3 LYS 31 1HG LYS 31 5.384 -8.545 0.278 252 HD2 LYS 31 2HD LYS 31 4.276 -8.829 2.424 253 HD3 LYS 31 1HD LYS 31 3.506 -9.815 1.183 254 HE2 LYS 31 2HE LYS 31 4.754 -11.781 2.003 255 HE3 LYS 31 1HE LYS 31 5.465 -10.781 3.270 256 HZ1 LYS 31 3HZ LYS 31 3.235 -10.429 4.163 257 HZ2 LYS 31 1HZ LYS 31 3.596 -12.072 4.068 258 HZ3 LYS 31 2HZ LYS 31 2.584 -11.396 2.929 259 H LEU 32 H LEU 32 2.261 -9.999 -1.620 260 HA LEU 32 HA LEU 32 3.249 -8.105 -3.575 261 HB2 LEU 32 2HB LEU 32 1.390 -9.541 -4.217 262 HB3 LEU 32 1HB LEU 32 0.461 -8.977 -2.847 263 HG LEU 32 HG LEU 32 0.436 -6.702 -3.853 264 HD11 LEU 32 1HD1 LEU 32 1.030 -6.442 -6.211 265 HD12 LEU 32 2HD1 LEU 32 1.689 -8.078 -6.221 266 HD13 LEU 32 3HD1 LEU 32 2.432 -6.833 -5.216 267 HD21 LEU 32 3HD2 LEU 32 -1.452 -8.191 -4.146 268 HD22 LEU 32 1HD2 LEU 32 -0.674 -8.932 -5.545 269 HD23 LEU 32 2HD2 LEU 32 -1.188 -7.248 -5.612 270 H ILE 33 H ILE 33 3.920 -6.334 -2.686 271 HA ILE 33 HA ILE 33 2.154 -4.968 -0.819 272 HB ILE 33 HB ILE 33 5.158 -5.227 -0.690 273 HG12 ILE 33 2HG1 ILE 33 3.797 -6.794 0.621 274 HG13 ILE 33 1HG1 ILE 33 4.736 -5.728 1.663 275 HG21 ILE 33 1HG2 ILE 33 4.738 -2.818 -0.615 276 HG22 ILE 33 2HG2 ILE 33 5.258 -3.415 0.964 277 HG23 ILE 33 3HG2 ILE 33 3.554 -3.076 0.667 278 HD11 ILE 33 3HD1 ILE 33 1.786 -5.533 1.060 279 HD12 ILE 33 1HD1 ILE 33 2.721 -4.320 1.933 280 HD13 ILE 33 2HD1 ILE 33 2.549 -5.948 2.598 281 H LEU 34 H LEU 34 1.250 -3.393 -1.817 282 HA LEU 34 HA LEU 34 2.970 -1.746 -3.488 283 HB2 LEU 34 2HB LEU 34 0.010 -2.249 -3.858 284 HB3 LEU 34 1HB LEU 34 0.931 -1.048 -4.739 285 HG LEU 34 HG LEU 34 1.283 -4.040 -4.878 286 HD11 LEU 34 1HD1 LEU 34 0.260 -3.816 -7.075 287 HD12 LEU 34 2HD1 LEU 34 0.088 -2.077 -6.819 288 HD13 LEU 34 3HD1 LEU 34 -0.818 -3.199 -5.814 289 HD21 LEU 34 3HD2 LEU 34 3.382 -2.857 -5.317 290 HD22 LEU 34 1HD2 LEU 34 2.559 -1.812 -6.477 291 HD23 LEU 34 2HD2 LEU 34 2.727 -3.536 -6.806 292 H GLN 35 H GLN 35 3.383 -0.949 -1.324 293 HA GLN 35 HA GLN 35 1.399 0.904 -0.316 294 HB2 GLN 35 2HB GLN 35 4.284 0.444 0.440 295 HB3 GLN 35 1HB GLN 35 3.232 1.606 1.231 296 HG2 GLN 35 2HG GLN 35 1.776 -0.169 1.957 297 HG3 GLN 35 1HG GLN 35 2.768 -1.357 1.117 298 HE21 GLN 35 1HE2 GLN 35 5.275 -0.058 1.890 299 HE22 GLN 35 2HE2 GLN 35 5.451 -0.351 3.576 300 H GLY 36 H GLY 36 1.154 2.833 -1.177 301 HA2 GLY 36 2HA GLY 36 3.449 4.010 -2.524 302 HA3 GLY 36 1HA GLY 36 1.960 3.782 -3.425 303 H CYS 37 H CYS 37 2.038 6.113 -3.722 304 HA CYS 37 HA CYS 37 0.635 7.429 -1.538 305 HB2 CYS 37 2HB CYS 37 2.853 8.759 -3.156 306 HB3 CYS 37 1HB CYS 37 1.799 9.526 -1.998 307 H SER 38 H SER 38 -1.044 8.628 -2.194 308 HA SER 38 HA SER 38 -1.398 8.920 -5.081 309 HB2 SER 38 2HB SER 38 -2.571 6.872 -4.385 310 HB3 SER 38 1HB SER 38 -3.498 7.806 -3.212 311 HG SER 38 HG SER 38 -4.811 7.822 -4.891 312 H SER 39 H SER 39 -2.923 10.491 -5.679 313 HA SER 39 HA SER 39 -2.944 12.804 -4.026 314 HB2 SER 39 2HB SER 39 -4.261 12.223 -6.685 315 HB3 SER 39 1HB SER 39 -3.936 13.829 -5.999 316 HG SER 39 HG SER 39 -1.730 13.318 -6.082 317 H SER 40 H SER 40 -5.253 10.301 -4.954 318 HA SER 40 HA SER 40 -7.018 11.217 -2.839 319 HB2 SER 40 2HB SER 40 -7.996 10.479 -5.622 320 HB3 SER 40 1HB SER 40 -8.990 10.989 -4.264 321 HG SER 40 HG SER 40 -7.379 12.921 -4.423 322 H CYS 41 H CYS 41 -7.985 9.450 -1.790 323 HA CYS 41 HA CYS 41 -6.959 6.853 -2.688 324 HB2 CYS 41 2HB CYS 41 -6.094 7.613 -0.506 325 HB3 CYS 41 1HB CYS 41 -7.738 7.728 0.105 326 H SER 42 H SER 42 -8.342 4.959 -2.057 327 HA SER 42 HA SER 42 -11.076 5.424 -2.789 328 HB2 SER 42 2HB SER 42 -10.838 2.858 -2.900 329 HB3 SER 42 1HB SER 42 -9.979 3.839 -4.095 330 HG SER 42 HG SER 42 -8.964 2.199 -2.149 331 H GLU 43 H GLU 43 -12.654 3.946 -1.603 332 HA GLU 43 HA GLU 43 -12.254 4.120 1.289 333 HB2 GLU 43 2HB GLU 43 -14.674 3.566 1.403 334 HB3 GLU 43 1HB GLU 43 -14.348 5.000 0.445 335 HG2 GLU 43 2HG GLU 43 -14.675 3.782 -1.591 336 HG3 GLU 43 1HG GLU 43 -14.821 2.263 -0.708 337 H THR 44 H THR 44 -10.830 2.132 -0.329 338 HA THR 44 HA THR 44 -12.015 -0.402 -0.052 339 HB THR 44 HB THR 44 -9.539 -0.964 -0.589 340 HG1 THR 44 1HG THR 44 -8.735 1.087 0.005 341 HG21 THR 44 3HG2 THR 44 -11.394 -1.049 -2.225 342 HG22 THR 44 1HG2 THR 44 -9.913 -0.423 -2.952 343 HG23 THR 44 2HG2 THR 44 -11.207 0.684 -2.495 344 H GLU 45 H GLU 45 -11.517 -1.931 1.486 345 HA GLU 45 HA GLU 45 -10.233 -0.938 3.885 346 HB2 GLU 45 2HB GLU 45 -11.641 -3.550 3.357 347 HB3 GLU 45 1HB GLU 45 -10.997 -3.050 4.912 348 HG2 GLU 45 2HG GLU 45 -12.547 -1.078 4.812 349 HG3 GLU 45 1HG GLU 45 -13.281 -1.822 3.392 350 H ASN 46 H ASN 46 -9.735 -3.141 1.259 351 HA ASN 46 HA ASN 46 -7.424 -4.388 2.377 352 HB2 ASN 46 2HB ASN 46 -8.576 -5.578 0.626 353 HB3 ASN 46 1HB ASN 46 -8.419 -4.211 -0.474 354 HD21 ASN 46 1HD2 ASN 46 -6.720 -6.860 1.069 355 HD22 ASN 46 2HD2 ASN 46 -5.326 -6.772 0.062 356 H ASN 47 H ASN 47 -7.931 -1.659 0.109 357 HA ASN 47 HA ASN 47 -5.106 -1.093 0.275 358 HB2 ASN 47 2HB ASN 47 -6.081 -0.951 -1.921 359 HB3 ASN 47 1HB ASN 47 -7.350 0.137 -1.355 360 HD21 ASN 47 1HD2 ASN 47 -6.804 2.307 -0.963 361 HD22 ASN 47 2HD2 ASN 47 -5.335 2.971 -1.558 362 H LYS 48 H LYS 48 -4.706 -0.283 2.085 363 HA LYS 48 HA LYS 48 -6.586 1.404 3.542 364 HB2 LYS 48 2HB LYS 48 -3.848 0.428 4.360 365 HB3 LYS 48 1HB LYS 48 -5.107 1.068 5.409 366 HG2 LYS 48 2HG LYS 48 -6.513 -0.851 4.920 367 HG3 LYS 48 1HG LYS 48 -5.284 -1.488 3.833 368 HD2 LYS 48 2HD LYS 48 -3.721 -1.609 5.743 369 HD3 LYS 48 1HD LYS 48 -5.022 -1.074 6.808 370 HE2 LYS 48 2HE LYS 48 -4.958 -3.601 5.153 371 HE3 LYS 48 1HE LYS 48 -4.821 -3.478 6.905 372 HZ1 LYS 48 3HZ LYS 48 -7.222 -2.752 5.307 373 HZ2 LYS 48 1HZ LYS 48 -7.088 -2.622 6.981 374 HZ3 LYS 48 2HZ LYS 48 -7.050 -4.127 6.228 375 H CYS 49 H CYS 49 -5.949 3.538 4.233 376 HA CYS 49 HA CYS 49 -3.459 4.491 3.229 377 HB2 CYS 49 2HB CYS 49 -4.581 6.503 2.147 378 HB3 CYS 49 1HB CYS 49 -4.585 4.978 1.274 379 H CYS 50 H CYS 50 -2.652 6.249 4.101 380 HA CYS 50 HA CYS 50 -4.099 7.530 6.255 381 HB2 CYS 50 2HB CYS 50 -1.877 7.230 7.537 382 HB3 CYS 50 1HB CYS 50 -2.937 5.825 7.401 383 H SER 51 H SER 51 -3.037 9.624 6.757 384 HA SER 51 HA SER 51 -1.612 10.602 4.391 385 HB2 SER 51 2HB SER 51 -2.707 12.820 5.153 386 HB3 SER 51 1HB SER 51 -3.707 11.602 4.363 387 HG SER 51 HG SER 51 -3.523 12.223 7.115 388 H THR 52 H THR 52 -0.265 9.480 6.686 389 HA THR 52 HA THR 52 1.081 11.879 7.709 390 HB THR 52 HB THR 52 0.981 9.222 9.087 391 HG1 THR 52 1HG THR 52 -0.799 11.413 9.074 392 HG21 THR 52 3HG2 THR 52 1.542 10.554 11.096 393 HG22 THR 52 1HG2 THR 52 1.551 12.015 10.108 394 HG23 THR 52 2HG2 THR 52 2.746 10.751 9.824 395 H ASP 53 H ASP 53 3.289 11.651 7.955 396 HA ASP 53 HA ASP 53 4.521 10.336 5.766 397 HB2 ASP 53 2HB ASP 53 6.633 11.266 6.488 398 HB3 ASP 53 1HB ASP 53 5.375 12.485 6.622 399 H ARG 54 H ARG 54 5.460 8.551 5.578 400 HA ARG 54 HA ARG 54 6.158 6.497 5.897 401 HB2 ARG 54 2HB ARG 54 7.098 7.646 8.521 402 HB3 ARG 54 1HB ARG 54 7.502 6.020 7.983 403 HG2 ARG 54 2HG ARG 54 8.634 6.907 6.037 404 HG3 ARG 54 1HG ARG 54 8.160 8.546 6.483 405 HD2 ARG 54 2HD ARG 54 10.492 8.004 7.078 406 HD3 ARG 54 1HD ARG 54 9.516 8.447 8.477 407 HE ARG 54 HE ARG 54 9.285 5.867 8.627 408 HH11 ARG 54 1HH1 ARG 54 12.243 7.670 7.816 409 HH12 ARG 54 2HH1 ARG 54 13.284 6.501 8.474 410 HH21 ARG 54 1HH2 ARG 54 10.752 4.265 9.525 411 HH22 ARG 54 2HH2 ARG 54 12.433 4.543 9.478 412 H CYS 55 H CYS 55 3.368 7.171 6.757 413 HA CYS 55 HA CYS 55 2.849 5.412 8.944 414 HB2 CYS 55 2HB CYS 55 0.493 5.801 8.434 415 HB3 CYS 55 1HB CYS 55 1.388 7.318 8.456 416 H ASN 56 H ASN 56 3.189 5.059 5.515 417 HA ASN 56 HA ASN 56 1.801 2.563 5.518 418 HB2 ASN 56 2HB ASN 56 2.197 2.452 3.098 419 HB3 ASN 56 1HB ASN 56 1.544 4.015 3.539 420 HD21 ASN 56 1HD2 ASN 56 2.785 3.482 1.155 421 HD22 ASN 56 2HD2 ASN 56 4.259 4.367 1.025 422 H LYS 57 H LYS 57 3.036 1.670 7.076 423 HA LYS 57 HA LYS 57 5.505 0.440 6.165 424 HB2 LYS 57 2HB LYS 57 6.368 0.654 8.497 425 HB3 LYS 57 1HB LYS 57 6.182 2.190 7.665 426 HG2 LYS 57 2HG LYS 57 4.101 2.605 8.882 427 HG3 LYS 57 1HG LYS 57 4.276 1.056 9.707 428 HD2 LYS 57 2HD LYS 57 6.356 1.820 10.724 429 HD3 LYS 57 1HD LYS 57 6.227 3.346 9.849 430 HE2 LYS 57 2HE LYS 57 4.234 2.338 11.879 431 HE3 LYS 57 1HE LYS 57 5.496 3.524 12.203 432 HZ1 LYS 57 3HZ LYS 57 3.395 4.589 11.796 433 HZ2 LYS 57 1HZ LYS 57 3.241 3.842 10.301 434 HZ3 LYS 57 2HZ LYS 57 4.470 4.983 10.562 Start of MODEL 6 1 H1 LEU 1 1HT LEU 1 5.431 15.203 2.439 2 H2 LEU 1 2HT LEU 1 3.744 15.284 2.509 3 H3 LEU 1 3HT LEU 1 4.505 14.709 1.123 4 HA LEU 1 HA LEU 1 4.597 13.425 3.753 5 HB2 LEU 1 2HB LEU 1 2.971 12.880 1.306 6 HB3 LEU 1 1HB LEU 1 3.387 11.595 2.414 7 HG LEU 1 HG LEU 1 1.823 14.066 3.159 8 HD11 LEU 1 2HD1 LEU 1 0.996 11.211 2.714 9 HD12 LEU 1 3HD1 LEU 1 0.613 12.560 1.643 10 HD13 LEU 1 1HD1 LEU 1 -0.063 12.512 3.279 11 HD21 LEU 1 1HD2 LEU 1 2.547 11.552 4.642 12 HD22 LEU 1 2HD2 LEU 1 1.402 12.760 5.221 13 HD23 LEU 1 3HD2 LEU 1 3.104 13.176 5.017 14 H LYS 2 H LYS 2 6.199 12.180 4.030 15 HA LYS 2 HA LYS 2 7.437 11.055 1.679 16 HB2 LYS 2 2HB LYS 2 9.469 10.693 3.214 17 HB3 LYS 2 1HB LYS 2 9.117 12.340 2.730 18 HG2 LYS 2 2HG LYS 2 8.027 12.708 4.935 19 HG3 LYS 2 1HG LYS 2 8.508 11.077 5.403 20 HD2 LYS 2 2HD LYS 2 10.817 11.612 5.239 21 HD3 LYS 2 1HD LYS 2 10.481 13.150 4.458 22 HE2 LYS 2 2HE LYS 2 11.101 13.572 6.742 23 HE3 LYS 2 1HE LYS 2 9.386 13.909 6.559 24 HZ1 LYS 2 3HZ LYS 2 8.856 11.846 7.704 25 HZ2 LYS 2 1HZ LYS 2 9.991 12.700 8.587 26 HZ3 LYS 2 2HZ LYS 2 10.483 11.388 7.684 27 H CYS 3 H CYS 3 6.980 8.968 1.330 28 HA CYS 3 HA CYS 3 6.407 7.288 3.652 29 HB2 CYS 3 2HB CYS 3 4.517 7.566 1.293 30 HB3 CYS 3 1HB CYS 3 4.351 6.395 2.607 31 H PHE 4 H PHE 4 6.131 4.914 3.014 32 HA PHE 4 HA PHE 4 8.558 4.245 1.592 33 HB2 PHE 4 2HB PHE 4 6.571 2.451 2.989 34 HB3 PHE 4 1HB PHE 4 8.155 1.976 2.403 35 HD1 PHE 4 1HD PHE 4 10.154 2.723 3.546 36 HD2 PHE 4 2HD PHE 4 6.292 3.661 5.022 37 HE1 PHE 4 1HE PHE 4 11.128 3.293 5.722 38 HE2 PHE 4 2HE PHE 4 7.246 4.243 7.190 39 HZ PHE 4 HZ PHE 4 9.679 4.055 7.557 40 H GLN 5 H GLN 5 7.845 4.774 -0.562 41 HA GLN 5 HA GLN 5 5.664 3.199 -1.649 42 HB2 GLN 5 2HB GLN 5 6.065 5.412 -2.589 43 HB3 GLN 5 1HB GLN 5 7.662 4.911 -3.125 44 HG2 GLN 5 2HG GLN 5 6.685 3.334 -4.682 45 HG3 GLN 5 1HG GLN 5 5.071 3.719 -4.105 46 HE21 GLN 5 1HE2 GLN 5 7.584 6.093 -4.638 47 HE22 GLN 5 2HE2 GLN 5 6.830 6.870 -5.970 48 H HIS 6 H HIS 6 9.172 3.042 -1.941 49 HA HIS 6 HA HIS 6 8.788 0.490 -3.330 50 HB2 HIS 6 2HB HIS 6 11.074 0.705 -4.261 51 HB3 HIS 6 1HB HIS 6 10.051 2.047 -4.718 52 HD1 HIS 6 1HD HIS 6 12.993 2.462 -5.039 53 HD2 HIS 6 2HD HIS 6 11.042 3.317 -1.478 54 HE1 HIS 6 1HE HIS 6 14.424 4.140 -3.832 55 H GLY 7 H GLY 7 8.749 1.068 -0.474 56 HA2 GLY 7 2HA GLY 7 9.229 -0.571 1.212 57 HA3 GLY 7 1HA GLY 7 10.725 -0.953 0.356 58 H LYS 8 H LYS 8 11.542 1.591 -0.160 59 HA LYS 8 HA LYS 8 12.300 2.578 2.476 60 HB2 LYS 8 2HB LYS 8 13.449 3.075 -0.268 61 HB3 LYS 8 1HB LYS 8 14.044 3.843 1.194 62 HG2 LYS 8 2HG LYS 8 14.719 1.706 2.103 63 HG3 LYS 8 1HG LYS 8 14.013 0.865 0.725 64 HD2 LYS 8 2HD LYS 8 16.260 2.871 0.525 65 HD3 LYS 8 1HD LYS 8 16.493 1.124 0.604 66 HE2 LYS 8 2HE LYS 8 15.208 0.846 -1.447 67 HE3 LYS 8 1HE LYS 8 14.914 2.577 -1.525 68 HZ1 LYS 8 3HZ LYS 8 16.722 1.885 -2.974 69 HZ2 LYS 8 1HZ LYS 8 17.586 1.307 -1.649 70 HZ3 LYS 8 2HZ LYS 8 17.250 2.957 -1.798 71 H VAL 9 H VAL 9 12.466 4.993 2.600 72 HA VAL 9 HA VAL 9 9.878 6.053 2.052 73 HB VAL 9 HB VAL 9 12.301 7.490 3.146 74 HG11 VAL 9 1HG1 VAL 9 9.367 8.120 3.349 75 HG12 VAL 9 2HG1 VAL 9 10.565 8.995 2.397 76 HG13 VAL 9 3HG1 VAL 9 10.662 8.999 4.160 77 HG21 VAL 9 3HG2 VAL 9 11.826 5.565 4.514 78 HG22 VAL 9 1HG2 VAL 9 10.124 6.015 4.598 79 HG23 VAL 9 2HG2 VAL 9 11.339 7.038 5.358 80 H VAL 10 H VAL 10 9.243 7.330 0.466 81 HA VAL 10 HA VAL 10 11.225 8.731 -1.160 82 HB VAL 10 HB VAL 10 9.892 8.436 -3.142 83 HG11 VAL 10 1HG1 VAL 10 10.202 5.781 -1.785 84 HG12 VAL 10 2HG1 VAL 10 11.415 6.629 -2.741 85 HG13 VAL 10 3HG1 VAL 10 9.952 6.014 -3.514 86 HG21 VAL 10 3HG2 VAL 10 7.809 7.148 -3.219 87 HG22 VAL 10 1HG2 VAL 10 7.669 8.539 -2.148 88 HG23 VAL 10 2HG2 VAL 10 7.882 6.923 -1.470 89 H THR 11 H THR 11 10.456 10.783 -1.876 90 HA THR 11 HA THR 11 8.488 11.870 -0.068 91 HB THR 11 HB THR 11 10.088 13.308 -2.192 92 HG1 THR 11 1HG THR 11 10.956 12.051 -0.054 93 HG21 THR 11 3HG2 THR 11 9.658 15.269 -0.775 94 HG22 THR 11 1HG2 THR 11 8.736 14.267 0.346 95 HG23 THR 11 2HG2 THR 11 8.139 14.535 -1.291 96 H CYS 12 H CYS 12 6.433 11.967 -0.604 97 HA CYS 12 HA CYS 12 5.466 11.568 -3.285 98 HB2 CYS 12 2HB CYS 12 3.957 12.411 -0.804 99 HB3 CYS 12 1HB CYS 12 3.306 11.625 -2.236 100 H HIS 13 H HIS 13 4.509 13.270 -4.531 101 HA HIS 13 HA HIS 13 5.523 15.880 -3.933 102 HB2 HIS 13 2HB HIS 13 5.167 14.841 -6.287 103 HB3 HIS 13 1HB HIS 13 3.474 15.262 -6.069 104 HD1 HIS 13 1HD HIS 13 2.826 17.663 -6.811 105 HD2 HIS 13 2HD HIS 13 6.922 17.152 -6.201 106 HE1 HIS 13 1HE HIS 13 3.877 19.816 -7.417 107 H ARG 14 H ARG 14 3.869 17.820 -4.118 108 HA ARG 14 HA ARG 14 2.231 17.560 -1.812 109 HB2 ARG 14 2HB ARG 14 2.514 19.864 -3.729 110 HB3 ARG 14 1HB ARG 14 1.596 19.933 -2.233 111 HG2 ARG 14 2HG ARG 14 4.545 19.418 -2.485 112 HG3 ARG 14 1HG ARG 14 3.801 20.947 -2.024 113 HD2 ARG 14 2HD ARG 14 3.658 18.343 -0.479 114 HD3 ARG 14 1HD ARG 14 4.620 19.755 -0.065 115 HE ARG 14 HE ARG 14 1.809 20.287 -0.299 116 HH11 ARG 14 1HH1 ARG 14 4.389 19.355 1.952 117 HH12 ARG 14 2HH1 ARG 14 3.497 19.743 3.346 118 HH21 ARG 14 1HH2 ARG 14 0.618 20.828 1.605 119 HH22 ARG 14 2HH2 ARG 14 1.309 20.587 3.153 120 H ASP 15 H ASP 15 1.565 16.794 -4.957 121 HA ASP 15 HA ASP 15 -1.235 17.485 -4.979 122 HB2 ASP 15 2HB ASP 15 0.283 15.460 -6.642 123 HB3 ASP 15 1HB ASP 15 -1.381 15.951 -6.923 124 H MET 16 H MET 16 0.778 14.940 -3.933 125 HA MET 16 HA MET 16 -1.324 13.061 -3.563 126 HB2 MET 16 2HB MET 16 1.627 13.020 -2.914 127 HB3 MET 16 1HB MET 16 0.563 11.736 -2.386 128 HG2 MET 16 2HG MET 16 1.618 11.077 -4.355 129 HG3 MET 16 1HG MET 16 -0.090 11.337 -4.665 130 HE1 MET 16 3HE MET 16 1.424 12.179 -8.070 131 HE2 MET 16 1HE MET 16 0.123 11.390 -7.156 132 HE3 MET 16 2HE MET 16 1.791 10.898 -6.890 133 H LYS 17 H LYS 17 -2.494 12.761 -1.930 134 HA LYS 17 HA LYS 17 -2.145 14.517 0.398 135 HB2 LYS 17 2HB LYS 17 -4.605 13.168 -0.695 136 HB3 LYS 17 1HB LYS 17 -4.552 14.256 0.679 137 HG2 LYS 17 2HG LYS 17 -3.911 16.084 -0.755 138 HG3 LYS 17 1HG LYS 17 -3.847 15.001 -2.149 139 HD2 LYS 17 2HD LYS 17 -6.221 14.530 -1.897 140 HD3 LYS 17 1HD LYS 17 -6.303 15.594 -0.497 141 HE2 LYS 17 2HE LYS 17 -5.621 17.481 -1.930 142 HE3 LYS 17 1HE LYS 17 -5.579 16.389 -3.315 143 HZ1 LYS 17 3HZ LYS 17 -7.629 17.606 -3.276 144 HZ2 LYS 17 1HZ LYS 17 -7.960 17.094 -1.699 145 HZ3 LYS 17 2HZ LYS 17 -7.948 15.979 -2.970 146 H PHE 18 H PHE 18 -2.350 11.241 -0.718 147 HA PHE 18 HA PHE 18 -2.420 10.301 2.057 148 HB2 PHE 18 2HB PHE 18 -3.921 9.045 -0.246 149 HB3 PHE 18 1HB PHE 18 -3.887 8.483 1.415 150 HD1 PHE 18 2HD PHE 18 -5.140 9.699 3.152 151 HD2 PHE 18 1HD PHE 18 -5.318 10.846 -0.947 152 HE1 PHE 18 2HE PHE 18 -7.163 11.021 3.608 153 HE2 PHE 18 1HE PHE 18 -7.346 12.162 -0.494 154 HZ PHE 18 HZ PHE 18 -8.267 12.251 1.786 155 H CYS 19 H CYS 19 -1.082 8.617 2.418 156 HA CYS 19 HA CYS 19 0.356 7.500 0.151 157 HB2 CYS 19 2HB CYS 19 0.886 7.196 3.139 158 HB3 CYS 19 1HB CYS 19 1.901 6.645 1.810 159 H TYR 20 H TYR 20 -0.385 5.560 -0.487 160 HA TYR 20 HA TYR 20 -2.342 4.347 1.284 161 HB2 TYR 20 2HB TYR 20 -3.348 3.240 -0.630 162 HB3 TYR 20 1HB TYR 20 -3.242 4.963 -0.928 163 HD1 TYR 20 1HD TYR 20 -2.034 1.649 -1.900 164 HD2 TYR 20 2HD TYR 20 -1.803 5.812 -2.700 165 HE1 TYR 20 1HE TYR 20 -0.981 1.156 -4.036 166 HE2 TYR 20 2HE TYR 20 -0.738 5.336 -4.862 167 HH TYR 20 HH TYR 20 -0.763 2.263 -6.182 168 H HIS 21 H HIS 21 -2.412 2.232 1.606 169 HA HIS 21 HA HIS 21 0.034 0.737 1.099 170 HB2 HIS 21 2HB HIS 21 0.141 1.401 3.409 171 HB3 HIS 21 1HB HIS 21 -1.555 1.041 3.658 172 HD1 HIS 21 1HD HIS 21 -1.344 -0.661 5.490 173 HD2 HIS 21 2HD HIS 21 1.081 -1.543 2.244 174 HE1 HIS 21 1HE HIS 21 -0.413 -2.969 5.922 175 H ASN 22 H ASN 22 -0.716 -0.543 -0.476 176 HA ASN 22 HA ASN 22 -3.164 -2.032 0.097 177 HB2 ASN 22 2HB ASN 22 -3.209 -0.762 -2.063 178 HB3 ASN 22 1HB ASN 22 -1.771 -1.627 -2.572 179 HD21 ASN 22 1HD2 ASN 22 -1.965 -3.832 -3.125 180 HD22 ASN 22 2HD2 ASN 22 -3.505 -4.544 -3.464 181 H THR 23 H THR 23 -2.618 -3.765 1.052 182 HA THR 23 HA THR 23 -0.130 -5.076 0.314 183 HB THR 23 HB THR 23 -0.398 -4.527 2.691 184 HG1 THR 23 1HG THR 23 -0.664 -7.144 3.153 185 HG21 THR 23 3HG2 THR 23 -2.858 -6.291 2.612 186 HG22 THR 23 1HG2 THR 23 -2.817 -4.548 2.899 187 HG23 THR 23 2HG2 THR 23 -2.117 -5.649 4.083 188 H GLY 24 H GLY 24 -0.380 -7.573 0.434 189 HA2 GLY 24 2HA GLY 24 -2.729 -8.225 -1.212 190 HA3 GLY 24 1HA GLY 24 -1.247 -9.174 -1.129 191 H MET 25 H MET 25 -2.891 -10.890 -0.849 192 HA MET 25 HA MET 25 -4.128 -11.109 1.727 193 HB2 MET 25 2HB MET 25 -3.478 -13.244 -0.324 194 HB3 MET 25 1HB MET 25 -4.469 -13.495 1.106 195 HG2 MET 25 2HG MET 25 -6.089 -11.868 0.227 196 HG3 MET 25 1HG MET 25 -5.101 -11.689 -1.219 197 HE1 MET 25 3HE MET 25 -5.897 -15.017 0.822 198 HE2 MET 25 1HE MET 25 -7.326 -15.578 -0.041 199 HE3 MET 25 2HE MET 25 -7.391 -14.084 0.893 200 HA PRO 26 HA PRO 26 -0.368 -11.983 3.831 201 HB2 PRO 26 2HB PRO 26 -1.366 -13.254 6.049 202 HB3 PRO 26 1HB PRO 26 -1.374 -11.502 5.831 203 HG2 PRO 26 2HG PRO 26 -3.579 -13.475 5.407 204 HG3 PRO 26 1HG PRO 26 -3.652 -11.848 6.103 205 HD2 PRO 26 2HD PRO 26 -4.420 -12.384 3.563 206 HD3 PRO 26 1HD PRO 26 -3.701 -10.830 4.033 207 H PHE 27 H PHE 27 0.755 -13.393 2.717 208 HA PHE 27 HA PHE 27 0.497 -16.184 3.421 209 HB2 PHE 27 2HB PHE 27 0.861 -15.056 0.648 210 HB3 PHE 27 1HB PHE 27 1.387 -16.682 1.053 211 HD1 PHE 27 2HD PHE 27 -0.249 -18.425 1.465 212 HD2 PHE 27 1HD PHE 27 -1.462 -14.490 0.422 213 HE1 PHE 27 2HE PHE 27 -2.499 -19.257 0.941 214 HE2 PHE 27 1HE PHE 27 -3.710 -15.327 -0.109 215 HZ PHE 27 HZ PHE 27 -4.228 -17.706 0.155 216 H ARG 28 H ARG 28 2.416 -17.190 3.659 217 HA ARG 28 HA ARG 28 4.604 -15.508 4.361 218 HB2 ARG 28 2HB ARG 28 4.379 -18.505 4.139 219 HB3 ARG 28 1HB ARG 28 5.748 -17.661 4.849 220 HG2 ARG 28 2HG ARG 28 2.925 -17.412 5.886 221 HG3 ARG 28 1HG ARG 28 4.070 -18.607 6.482 222 HD2 ARG 28 2HD ARG 28 4.023 -16.675 7.967 223 HD3 ARG 28 1HD ARG 28 5.584 -16.788 7.169 224 HE ARG 28 HE ARG 28 3.570 -14.978 6.054 225 HH11 ARG 28 1HH1 ARG 28 6.547 -15.356 7.923 226 HH12 ARG 28 2HH1 ARG 28 7.079 -13.756 7.673 227 HH21 ARG 28 1HH2 ARG 28 4.285 -12.781 5.720 228 HH22 ARG 28 2HH2 ARG 28 5.747 -12.248 6.408 229 H ASN 29 H ASN 29 6.296 -14.942 3.195 230 HA ASN 29 HA ASN 29 7.701 -14.604 1.539 231 HB2 ASN 29 2HB ASN 29 6.908 -17.390 0.751 232 HB3 ASN 29 1HB ASN 29 7.924 -16.430 -0.322 233 HD21 ASN 29 1HD2 ASN 29 9.637 -17.836 -0.077 234 HD22 ASN 29 2HD2 ASN 29 10.587 -17.927 1.362 235 H LEU 30 H LEU 30 4.760 -14.080 1.467 236 HA LEU 30 HA LEU 30 4.782 -13.196 -1.316 237 HB2 LEU 30 2HB LEU 30 2.915 -14.754 -0.921 238 HB3 LEU 30 1HB LEU 30 2.363 -13.730 0.397 239 HG LEU 30 HG LEU 30 1.955 -11.904 -1.229 240 HD11 LEU 30 1HD1 LEU 30 3.540 -12.565 -2.939 241 HD12 LEU 30 2HD1 LEU 30 1.921 -12.354 -3.595 242 HD13 LEU 30 3HD1 LEU 30 2.555 -13.980 -3.320 243 HD21 LEU 30 3HD2 LEU 30 0.118 -13.325 -0.559 244 HD22 LEU 30 1HD2 LEU 30 0.530 -14.492 -1.821 245 HD23 LEU 30 2HD2 LEU 30 -0.037 -12.878 -2.256 246 H LYS 31 H LYS 31 5.809 -11.368 -0.910 247 HA LYS 31 HA LYS 31 4.543 -9.438 0.891 248 HB2 LYS 31 2HB LYS 31 7.254 -9.369 -0.455 249 HB3 LYS 31 1HB LYS 31 6.633 -8.140 0.630 250 HG2 LYS 31 2HG LYS 31 6.653 -9.695 2.477 251 HG3 LYS 31 1HG LYS 31 7.134 -11.006 1.399 252 HD2 LYS 31 2HD LYS 31 9.240 -9.843 0.925 253 HD3 LYS 31 1HD LYS 31 8.753 -8.526 1.993 254 HE2 LYS 31 2HE LYS 31 8.749 -10.005 3.893 255 HE3 LYS 31 1HE LYS 31 9.073 -11.396 2.862 256 HZ1 LYS 31 3HZ LYS 31 10.909 -9.090 3.214 257 HZ2 LYS 31 1HZ LYS 31 11.238 -10.499 2.353 258 HZ3 LYS 31 2HZ LYS 31 11.058 -10.559 4.022 259 H LEU 32 H LEU 32 2.998 -8.435 -0.209 260 HA LEU 32 HA LEU 32 3.545 -7.662 -2.968 261 HB2 LEU 32 2HB LEU 32 1.505 -8.987 -2.698 262 HB3 LEU 32 1HB LEU 32 0.918 -7.872 -1.481 263 HG LEU 32 HG LEU 32 0.834 -6.083 -3.203 264 HD11 LEU 32 1HD1 LEU 32 2.494 -6.912 -4.738 265 HD12 LEU 32 2HD1 LEU 32 0.947 -6.685 -5.553 266 HD13 LEU 32 3HD1 LEU 32 1.480 -8.307 -5.112 267 HD21 LEU 32 3HD2 LEU 32 -0.759 -8.567 -3.811 268 HD22 LEU 32 1HD2 LEU 32 -1.142 -6.944 -4.389 269 HD23 LEU 32 2HD2 LEU 32 -1.178 -7.295 -2.663 270 H ILE 33 H ILE 33 4.422 -5.750 -2.974 271 HA ILE 33 HA ILE 33 3.415 -3.825 -1.055 272 HB ILE 33 HB ILE 33 6.072 -3.877 -2.502 273 HG12 ILE 33 2HG1 ILE 33 5.951 -5.343 -0.557 274 HG13 ILE 33 1HG1 ILE 33 6.997 -3.971 -0.212 275 HG21 ILE 33 1HG2 ILE 33 5.272 -1.559 -2.423 276 HG22 ILE 33 2HG2 ILE 33 6.646 -1.793 -1.341 277 HG23 ILE 33 3HG2 ILE 33 5.013 -1.704 -0.683 278 HD11 ILE 33 3HD1 ILE 33 5.104 -2.903 1.001 279 HD12 ILE 33 1HD1 ILE 33 5.612 -4.439 1.717 280 HD13 ILE 33 2HD1 ILE 33 4.155 -4.356 0.734 281 H LEU 34 H LEU 34 1.760 -2.942 -1.868 282 HA LEU 34 HA LEU 34 2.226 -1.282 -4.206 283 HB2 LEU 34 2HB LEU 34 -0.313 -2.638 -3.324 284 HB3 LEU 34 1HB LEU 34 -0.314 -1.304 -4.474 285 HG LEU 34 HG LEU 34 0.990 -3.996 -4.850 286 HD11 LEU 34 1HD1 LEU 34 -1.431 -4.141 -4.903 287 HD12 LEU 34 2HD1 LEU 34 -0.783 -4.339 -6.534 288 HD13 LEU 34 3HD1 LEU 34 -1.503 -2.803 -6.041 289 HD21 LEU 34 3HD2 LEU 34 2.198 -2.263 -6.054 290 HD22 LEU 34 1HD2 LEU 34 0.685 -1.672 -6.747 291 HD23 LEU 34 2HD2 LEU 34 1.290 -3.269 -7.180 292 H GLN 35 H GLN 35 3.236 -0.235 -2.390 293 HA GLN 35 HA GLN 35 1.344 1.375 -0.827 294 HB2 GLN 35 2HB GLN 35 4.296 0.859 -0.409 295 HB3 GLN 35 1HB GLN 35 3.265 1.805 0.652 296 HG2 GLN 35 2HG GLN 35 2.001 -0.162 1.204 297 HG3 GLN 35 1HG GLN 35 2.964 -1.137 0.096 298 HE21 GLN 35 1HE2 GLN 35 5.438 0.346 0.931 299 HE22 GLN 35 2HE2 GLN 35 5.830 -0.325 2.472 300 H GLY 36 H GLY 36 1.088 3.345 -1.736 301 HA2 GLY 36 2HA GLY 36 3.434 4.585 -2.948 302 HA3 GLY 36 1HA GLY 36 2.033 4.333 -3.984 303 H CYS 37 H CYS 37 2.367 6.711 -4.097 304 HA CYS 37 HA CYS 37 1.034 8.042 -1.861 305 HB2 CYS 37 2HB CYS 37 2.694 9.343 -4.044 306 HB3 CYS 37 1HB CYS 37 2.149 10.022 -2.520 307 H SER 38 H SER 38 -0.944 8.942 -2.338 308 HA SER 38 HA SER 38 -1.627 9.220 -5.162 309 HB2 SER 38 2HB SER 38 -2.587 7.088 -4.387 310 HB3 SER 38 1HB SER 38 -3.417 7.934 -3.081 311 HG SER 38 HG SER 38 -4.375 7.466 -5.398 312 H SER 39 H SER 39 -3.276 10.700 -5.581 313 HA SER 39 HA SER 39 -3.354 12.946 -3.762 314 HB2 SER 39 2HB SER 39 -2.905 13.175 -6.216 315 HB3 SER 39 1HB SER 39 -4.537 12.605 -6.539 316 HG SER 39 HG SER 39 -3.731 14.917 -5.138 317 H SER 40 H SER 40 -5.180 10.169 -4.349 318 HA SER 40 HA SER 40 -7.408 11.269 -2.863 319 HB2 SER 40 2HB SER 40 -7.685 9.771 -5.488 320 HB3 SER 40 1HB SER 40 -9.024 10.194 -4.419 321 HG SER 40 HG SER 40 -7.755 12.414 -4.756 322 H CYS 41 H CYS 41 -9.002 8.945 -2.812 323 HA CYS 41 HA CYS 41 -7.234 6.781 -2.157 324 HB2 CYS 41 2HB CYS 41 -7.259 7.983 -0.057 325 HB3 CYS 41 1HB CYS 41 -9.009 8.143 -0.118 326 H SER 42 H SER 42 -8.328 4.807 -2.119 327 HA SER 42 HA SER 42 -11.181 4.889 -2.745 328 HB2 SER 42 2HB SER 42 -9.734 3.838 -4.498 329 HB3 SER 42 1HB SER 42 -9.191 2.679 -3.269 330 HG SER 42 HG SER 42 -11.915 2.922 -3.544 331 H GLU 43 H GLU 43 -12.227 4.523 -1.008 332 HA GLU 43 HA GLU 43 -11.016 3.460 1.330 333 HB2 GLU 43 2HB GLU 43 -13.211 3.786 2.439 334 HB3 GLU 43 1HB GLU 43 -12.623 5.222 1.620 335 HG2 GLU 43 2HG GLU 43 -14.112 4.745 -0.250 336 HG3 GLU 43 1HG GLU 43 -14.677 3.314 0.610 337 H THR 44 H THR 44 -10.485 1.523 1.275 338 HA THR 44 HA THR 44 -12.480 -0.561 0.871 339 HB THR 44 HB THR 44 -10.654 -1.886 -0.314 340 HG1 THR 44 1HG THR 44 -9.516 0.700 -0.543 341 HG21 THR 44 3HG2 THR 44 -12.514 -0.885 -1.576 342 HG22 THR 44 1HG2 THR 44 -11.013 -0.825 -2.502 343 HG23 THR 44 2HG2 THR 44 -11.613 0.625 -1.698 344 H GLU 45 H GLU 45 -11.254 -2.748 1.554 345 HA GLU 45 HA GLU 45 -10.243 -2.173 4.225 346 HB2 GLU 45 2HB GLU 45 -12.140 -3.734 3.909 347 HB3 GLU 45 1HB GLU 45 -11.098 -4.766 2.945 348 HG2 GLU 45 2HG GLU 45 -9.673 -5.134 4.900 349 HG3 GLU 45 1HG GLU 45 -10.750 -4.121 5.863 350 H ASN 46 H ASN 46 -9.302 -3.419 1.156 351 HA ASN 46 HA ASN 46 -6.894 -4.653 2.196 352 HB2 ASN 46 2HB ASN 46 -8.252 -5.710 0.371 353 HB3 ASN 46 1HB ASN 46 -7.772 -4.388 -0.685 354 HD21 ASN 46 1HD2 ASN 46 -5.672 -4.356 -1.502 355 HD22 ASN 46 2HD2 ASN 46 -4.583 -5.668 -1.251 356 H ASN 47 H ASN 47 -7.821 -1.787 0.302 357 HA ASN 47 HA ASN 47 -5.035 -0.966 0.279 358 HB2 ASN 47 2HB ASN 47 -6.055 -0.890 -1.889 359 HB3 ASN 47 1HB ASN 47 -7.446 0.001 -1.275 360 HD21 ASN 47 1HD2 ASN 47 -7.207 2.188 -0.833 361 HD22 ASN 47 2HD2 ASN 47 -5.883 3.106 -1.441 362 H LYS 48 H LYS 48 -4.563 0.036 2.008 363 HA LYS 48 HA LYS 48 -6.537 1.647 3.421 364 HB2 LYS 48 2HB LYS 48 -3.808 0.622 4.164 365 HB3 LYS 48 1HB LYS 48 -4.745 1.701 5.198 366 HG2 LYS 48 2HG LYS 48 -5.582 -1.040 4.278 367 HG3 LYS 48 1HG LYS 48 -4.896 -0.656 5.855 368 HD2 LYS 48 2HD LYS 48 -6.816 0.890 6.240 369 HD3 LYS 48 1HD LYS 48 -7.509 0.339 4.718 370 HE2 LYS 48 2HE LYS 48 -8.505 -0.830 6.614 371 HE3 LYS 48 1HE LYS 48 -7.623 -1.939 5.567 372 HZ1 LYS 48 3HZ LYS 48 -6.582 -0.808 8.116 373 HZ2 LYS 48 1HZ LYS 48 -5.790 -1.918 7.128 374 HZ3 LYS 48 2HZ LYS 48 -7.209 -2.347 7.929 375 H CYS 49 H CYS 49 -5.995 3.796 4.095 376 HA CYS 49 HA CYS 49 -3.934 5.099 2.474 377 HB2 CYS 49 2HB CYS 49 -6.734 6.134 2.940 378 HB3 CYS 49 1HB CYS 49 -5.456 6.963 2.067 379 H CYS 50 H CYS 50 -2.634 6.231 3.768 380 HA CYS 50 HA CYS 50 -3.816 7.387 6.141 381 HB2 CYS 50 2HB CYS 50 -1.589 6.907 7.279 382 HB3 CYS 50 1HB CYS 50 -2.624 5.513 6.987 383 H SER 51 H SER 51 -2.870 9.412 6.772 384 HA SER 51 HA SER 51 -1.550 10.675 4.498 385 HB2 SER 51 2HB SER 51 -2.763 12.728 5.471 386 HB3 SER 51 1HB SER 51 -3.709 11.520 4.594 387 HG SER 51 HG SER 51 -4.836 11.349 6.306 388 H THR 52 H THR 52 -0.281 9.422 6.899 389 HA THR 52 HA THR 52 1.021 11.824 7.993 390 HB THR 52 HB THR 52 1.290 9.124 9.212 391 HG1 THR 52 1HG THR 52 -0.805 10.838 10.094 392 HG21 THR 52 3HG2 THR 52 1.436 10.445 11.286 393 HG22 THR 52 1HG2 THR 52 1.114 11.913 10.358 394 HG23 THR 52 2HG2 THR 52 2.590 10.996 10.068 395 H ASP 53 H ASP 53 3.307 11.738 8.007 396 HA ASP 53 HA ASP 53 4.379 10.360 5.756 397 HB2 ASP 53 2HB ASP 53 6.495 11.379 6.158 398 HB3 ASP 53 1HB ASP 53 5.279 12.583 6.533 399 H ARG 54 H ARG 54 5.439 8.624 5.542 400 HA ARG 54 HA ARG 54 6.284 6.627 5.849 401 HB2 ARG 54 2HB ARG 54 7.108 7.748 8.528 402 HB3 ARG 54 1HB ARG 54 7.649 6.185 7.936 403 HG2 ARG 54 2HG ARG 54 8.747 7.245 6.054 404 HG3 ARG 54 1HG ARG 54 8.119 8.812 6.547 405 HD2 ARG 54 2HD ARG 54 10.438 8.583 7.220 406 HD3 ARG 54 1HD ARG 54 9.395 8.688 8.628 407 HE ARG 54 HE ARG 54 10.565 6.167 7.627 408 HH11 ARG 54 1HH1 ARG 54 9.545 8.200 10.358 409 HH12 ARG 54 2HH1 ARG 54 10.239 7.202 11.539 410 HH21 ARG 54 1HH2 ARG 54 11.562 4.826 9.273 411 HH22 ARG 54 2HH2 ARG 54 11.409 5.255 10.914 412 H CYS 55 H CYS 55 3.471 7.291 6.834 413 HA CYS 55 HA CYS 55 2.832 5.600 8.990 414 HB2 CYS 55 2HB CYS 55 0.521 5.800 8.166 415 HB3 CYS 55 1HB CYS 55 1.346 7.356 8.224 416 H ASN 56 H ASN 56 3.241 4.984 5.590 417 HA ASN 56 HA ASN 56 1.954 2.431 5.699 418 HB2 ASN 56 2HB ASN 56 2.370 2.304 3.285 419 HB3 ASN 56 1HB ASN 56 1.657 3.847 3.715 420 HD21 ASN 56 1HD2 ASN 56 2.917 3.358 1.365 421 HD22 ASN 56 2HD2 ASN 56 4.382 4.260 1.233 422 H LYS 57 H LYS 57 3.849 2.378 7.451 423 HA LYS 57 HA LYS 57 6.265 1.192 6.434 424 HB2 LYS 57 2HB LYS 57 6.903 1.032 8.872 425 HB3 LYS 57 1HB LYS 57 6.590 2.657 8.292 426 HG2 LYS 57 2HG LYS 57 4.370 2.593 9.325 427 HG3 LYS 57 1HG LYS 57 4.697 0.968 9.925 428 HD2 LYS 57 2HD LYS 57 5.063 2.583 11.707 429 HD3 LYS 57 1HD LYS 57 6.607 1.880 11.229 430 HE2 LYS 57 2HE LYS 57 7.136 3.862 9.919 431 HE3 LYS 57 1HE LYS 57 5.551 4.545 10.268 432 HZ1 LYS 57 3HZ LYS 57 7.238 5.516 11.687 433 HZ2 LYS 57 1HZ LYS 57 7.683 3.989 12.257 434 HZ3 LYS 57 2HZ LYS 57 6.171 4.607 12.609 Start of MODEL 7 1 H1 LEU 1 1HT LEU 1 5.417 15.004 2.356 2 H2 LEU 1 2HT LEU 1 3.721 15.110 2.398 3 H3 LEU 1 3HT LEU 1 4.499 14.382 1.085 4 HA LEU 1 HA LEU 1 4.607 13.385 3.837 5 HB2 LEU 1 2HB LEU 1 2.952 12.563 1.480 6 HB3 LEU 1 1HB LEU 1 3.388 11.425 2.728 7 HG LEU 1 HG LEU 1 1.813 13.954 3.214 8 HD11 LEU 1 2HD1 LEU 1 0.982 11.070 3.022 9 HD12 LEU 1 3HD1 LEU 1 0.599 12.328 1.846 10 HD13 LEU 1 1HD1 LEU 1 -0.071 12.414 3.479 11 HD21 LEU 1 1HD2 LEU 1 1.403 12.898 5.400 12 HD22 LEU 1 2HD2 LEU 1 3.123 13.199 5.131 13 HD23 LEU 1 3HD2 LEU 1 2.485 11.579 4.939 14 H LYS 2 H LYS 2 6.177 12.124 4.215 15 HA LYS 2 HA LYS 2 7.412 10.941 1.900 16 HB2 LYS 2 2HB LYS 2 9.446 10.614 3.367 17 HB3 LYS 2 1HB LYS 2 9.050 12.284 3.004 18 HG2 LYS 2 2HG LYS 2 8.017 12.508 5.211 19 HG3 LYS 2 1HG LYS 2 8.430 10.831 5.564 20 HD2 LYS 2 2HD LYS 2 10.789 11.350 5.361 21 HD3 LYS 2 1HD LYS 2 10.394 13.014 4.921 22 HE2 LYS 2 2HE LYS 2 9.670 11.704 7.535 23 HE3 LYS 2 1HE LYS 2 11.049 12.772 7.296 24 HZ1 LYS 2 3HZ LYS 2 9.561 14.549 6.727 25 HZ2 LYS 2 1HZ LYS 2 9.140 13.939 8.221 26 HZ3 LYS 2 2HZ LYS 2 8.202 13.575 6.873 27 H CYS 3 H CYS 3 6.768 9.026 1.557 28 HA CYS 3 HA CYS 3 6.292 7.224 3.790 29 HB2 CYS 3 2HB CYS 3 4.371 7.756 1.523 30 HB3 CYS 3 1HB CYS 3 4.253 6.356 2.587 31 H PHE 4 H PHE 4 5.963 4.894 2.959 32 HA PHE 4 HA PHE 4 8.379 4.339 1.506 33 HB2 PHE 4 2HB PHE 4 6.273 2.475 2.632 34 HB3 PHE 4 1HB PHE 4 7.816 1.980 1.955 35 HD1 PHE 4 2HD PHE 4 9.861 2.316 3.178 36 HD2 PHE 4 1HD PHE 4 6.116 3.474 4.847 37 HE1 PHE 4 2HE PHE 4 10.897 2.489 5.385 38 HE2 PHE 4 1HE PHE 4 7.149 3.653 7.049 39 HZ PHE 4 HZ PHE 4 9.538 3.154 7.338 40 H GLN 5 H GLN 5 7.475 5.414 -0.456 41 HA GLN 5 HA GLN 5 5.486 3.869 -1.902 42 HB2 GLN 5 2HB GLN 5 5.609 6.392 -2.082 43 HB3 GLN 5 1HB GLN 5 7.126 6.210 -2.936 44 HG2 GLN 5 2HG GLN 5 4.509 5.074 -3.937 45 HG3 GLN 5 1HG GLN 5 5.106 6.672 -4.352 46 HE21 GLN 5 1HE2 GLN 5 7.844 5.940 -4.718 47 HE22 GLN 5 2HE2 GLN 5 7.900 4.952 -6.134 48 H HIS 6 H HIS 6 8.862 4.483 -2.018 49 HA HIS 6 HA HIS 6 9.220 2.610 -4.256 50 HB2 HIS 6 2HB HIS 6 10.165 4.965 -4.319 51 HB3 HIS 6 1HB HIS 6 11.220 4.509 -2.996 52 HD1 HIS 6 1HD HIS 6 10.598 3.539 -6.659 53 HD2 HIS 6 2HD HIS 6 13.594 3.534 -3.775 54 HE1 HIS 6 1HE HIS 6 12.684 2.834 -7.844 55 H GLY 7 H GLY 7 8.649 1.973 -1.390 56 HA2 GLY 7 2HA GLY 7 9.211 0.115 -0.091 57 HA3 GLY 7 1HA GLY 7 10.746 -0.007 -0.957 58 H LYS 8 H LYS 8 11.432 2.651 -0.673 59 HA LYS 8 HA LYS 8 12.098 2.796 2.157 60 HB2 LYS 8 2HB LYS 8 13.456 3.927 -0.301 61 HB3 LYS 8 1HB LYS 8 13.832 4.492 1.313 62 HG2 LYS 8 2HG LYS 8 15.506 2.907 0.651 63 HG3 LYS 8 1HG LYS 8 14.523 2.195 1.923 64 HD2 LYS 8 2HD LYS 8 14.964 0.514 0.272 65 HD3 LYS 8 1HD LYS 8 13.263 0.958 0.153 66 HE2 LYS 8 2HE LYS 8 13.808 2.418 -1.761 67 HE3 LYS 8 1HE LYS 8 15.495 1.916 -1.639 68 HZ1 LYS 8 3HZ LYS 8 14.727 -0.390 -2.043 69 HZ2 LYS 8 1HZ LYS 8 14.400 0.631 -3.334 70 HZ3 LYS 8 2HZ LYS 8 13.171 0.180 -2.301 71 H VAL 9 H VAL 9 12.181 5.011 3.005 72 HA VAL 9 HA VAL 9 9.729 6.359 2.583 73 HB VAL 9 HB VAL 9 12.219 7.250 4.075 74 HG11 VAL 9 1HG1 VAL 9 10.701 8.739 5.309 75 HG12 VAL 9 2HG1 VAL 9 9.392 8.281 4.214 76 HG13 VAL 9 3HG1 VAL 9 10.812 9.131 3.594 77 HG21 VAL 9 3HG2 VAL 9 9.732 5.887 5.072 78 HG22 VAL 9 1HG2 VAL 9 11.052 6.480 6.077 79 HG23 VAL 9 2HG2 VAL 9 11.330 5.162 4.936 80 H VAL 10 H VAL 10 9.318 7.609 0.887 81 HA VAL 10 HA VAL 10 11.459 9.276 -0.168 82 HB VAL 10 HB VAL 10 10.610 8.920 -2.463 83 HG11 VAL 10 1HG1 VAL 10 11.397 6.383 -1.043 84 HG12 VAL 10 2HG1 VAL 10 12.498 7.595 -1.697 85 HG13 VAL 10 3HG1 VAL 10 11.479 6.645 -2.784 86 HG21 VAL 10 3HG2 VAL 10 8.878 6.798 -1.202 87 HG22 VAL 10 1HG2 VAL 10 9.105 7.041 -2.934 88 HG23 VAL 10 2HG2 VAL 10 8.319 8.288 -1.961 89 H THR 11 H THR 11 10.772 11.191 -1.178 90 HA THR 11 HA THR 11 8.609 12.434 0.189 91 HB THR 11 HB THR 11 10.299 13.508 -2.069 92 HG1 THR 11 1HG THR 11 10.874 13.967 0.635 93 HG21 THR 11 3HG2 THR 11 8.356 14.888 -1.475 94 HG22 THR 11 1HG2 THR 11 9.852 15.671 -0.967 95 HG23 THR 11 2HG2 THR 11 8.835 14.852 0.221 96 H CYS 12 H CYS 12 6.602 11.931 -0.484 97 HA CYS 12 HA CYS 12 5.975 11.433 -3.233 98 HB2 CYS 12 2HB CYS 12 4.223 11.597 -0.765 99 HB3 CYS 12 1HB CYS 12 3.712 10.993 -2.347 100 H HIS 13 H HIS 13 4.587 12.686 -4.521 101 HA HIS 13 HA HIS 13 5.370 15.403 -4.522 102 HB2 HIS 13 2HB HIS 13 4.779 13.846 -6.508 103 HB3 HIS 13 1HB HIS 13 3.118 14.299 -6.191 104 HD1 HIS 13 1HD HIS 13 2.351 16.223 -7.734 105 HD2 HIS 13 2HD HIS 13 6.433 16.354 -6.844 106 HE1 HIS 13 1HE HIS 13 3.284 18.144 -9.001 107 H ARG 14 H ARG 14 3.821 17.234 -4.861 108 HA ARG 14 HA ARG 14 2.421 17.948 -2.585 109 HB2 ARG 14 2HB ARG 14 1.578 19.832 -3.852 110 HB3 ARG 14 1HB ARG 14 3.251 19.532 -4.308 111 HG2 ARG 14 2HG ARG 14 2.543 18.410 -6.327 112 HG3 ARG 14 1HG ARG 14 0.860 18.550 -5.854 113 HD2 ARG 14 2HD ARG 14 1.125 21.030 -5.971 114 HD3 ARG 14 1HD ARG 14 2.742 20.764 -6.638 115 HE ARG 14 HE ARG 14 0.681 19.312 -7.994 116 HH11 ARG 14 1HH1 ARG 14 2.385 22.423 -7.905 117 HH12 ARG 14 2HH1 ARG 14 1.980 22.835 -9.495 118 HH21 ARG 14 1HH2 ARG 14 0.135 19.915 -10.213 119 HH22 ARG 14 2HH2 ARG 14 0.707 21.393 -10.831 120 H ASP 15 H ASP 15 1.301 16.074 -5.253 121 HA ASP 15 HA ASP 15 -1.514 16.706 -4.891 122 HB2 ASP 15 2HB ASP 15 -0.254 14.570 -6.603 123 HB3 ASP 15 1HB ASP 15 -1.924 15.102 -6.673 124 H MET 16 H MET 16 0.804 14.418 -3.925 125 HA MET 16 HA MET 16 -1.005 12.342 -3.295 126 HB2 MET 16 2HB MET 16 1.955 12.710 -2.825 127 HB3 MET 16 1HB MET 16 1.103 11.365 -2.122 128 HG2 MET 16 2HG MET 16 2.106 10.645 -4.096 129 HG3 MET 16 1HG MET 16 0.364 10.699 -4.328 130 HE1 MET 16 3HE MET 16 1.665 11.367 -7.858 131 HE2 MET 16 1HE MET 16 0.521 10.511 -6.805 132 HE3 MET 16 2HE MET 16 2.253 10.274 -6.580 133 H LYS 17 H LYS 17 -2.393 12.735 -1.892 134 HA LYS 17 HA LYS 17 -1.855 14.311 0.513 135 HB2 LYS 17 2HB LYS 17 -4.400 13.029 -0.446 136 HB3 LYS 17 1HB LYS 17 -4.249 14.252 0.808 137 HG2 LYS 17 2HG LYS 17 -3.641 15.899 -0.813 138 HG3 LYS 17 1HG LYS 17 -3.556 14.674 -2.082 139 HD2 LYS 17 2HD LYS 17 -5.976 14.198 -1.666 140 HD3 LYS 17 1HD LYS 17 -6.008 15.598 -0.590 141 HE2 LYS 17 2HE LYS 17 -6.807 16.148 -2.835 142 HE3 LYS 17 1HE LYS 17 -5.349 17.044 -2.432 143 HZ1 LYS 17 3HZ LYS 17 -4.068 15.384 -3.727 144 HZ2 LYS 17 1HZ LYS 17 -5.219 16.173 -4.671 145 HZ3 LYS 17 2HZ LYS 17 -5.514 14.616 -4.139 146 H PHE 18 H PHE 18 -2.171 11.085 -0.610 147 HA PHE 18 HA PHE 18 -2.477 10.107 2.146 148 HB2 PHE 18 2HB PHE 18 -3.668 8.877 -0.333 149 HB3 PHE 18 1HB PHE 18 -3.840 8.303 1.315 150 HD1 PHE 18 2HD PHE 18 -5.334 9.435 2.863 151 HD2 PHE 18 1HD PHE 18 -4.943 10.741 -1.175 152 HE1 PHE 18 2HE PHE 18 -7.394 10.734 3.077 153 HE2 PHE 18 1HE PHE 18 -7.008 12.041 -0.955 154 HZ PHE 18 HZ PHE 18 -8.235 12.042 1.177 155 H CYS 19 H CYS 19 -1.291 8.345 2.596 156 HA CYS 19 HA CYS 19 0.435 7.259 0.507 157 HB2 CYS 19 2HB CYS 19 0.592 6.932 3.529 158 HB3 CYS 19 1HB CYS 19 1.796 6.426 2.339 159 H TYR 20 H TYR 20 0.117 5.023 0.034 160 HA TYR 20 HA TYR 20 -2.166 3.907 1.478 161 HB2 TYR 20 2HB TYR 20 -3.202 3.067 -0.517 162 HB3 TYR 20 1HB TYR 20 -2.951 4.792 -0.693 163 HD1 TYR 20 1HD TYR 20 -1.989 1.454 -1.915 164 HD2 TYR 20 2HD TYR 20 -1.398 5.632 -2.373 165 HE1 TYR 20 1HE TYR 20 -0.930 1.047 -4.074 166 HE2 TYR 20 2HE TYR 20 -0.334 5.243 -4.551 167 HH TYR 20 HH TYR 20 -0.556 2.396 -6.222 168 H HIS 21 H HIS 21 -2.380 1.797 1.580 169 HA HIS 21 HA HIS 21 -0.220 0.103 0.606 170 HB2 HIS 21 2HB HIS 21 0.131 0.358 3.044 171 HB3 HIS 21 1HB HIS 21 -1.550 -0.069 3.337 172 HD1 HIS 21 1HD HIS 21 -0.859 -2.166 4.811 173 HD2 HIS 21 2HD HIS 21 0.543 -2.283 0.895 174 HE1 HIS 21 1HE HIS 21 0.030 -4.489 4.445 175 H ASN 22 H ASN 22 -1.250 -0.814 -0.995 176 HA ASN 22 HA ASN 22 -3.995 -1.702 -0.663 177 HB2 ASN 22 2HB ASN 22 -3.317 -0.576 -2.765 178 HB3 ASN 22 1HB ASN 22 -2.140 -1.837 -3.072 179 HD21 ASN 22 1HD2 ASN 22 -2.968 -3.970 -3.528 180 HD22 ASN 22 2HD2 ASN 22 -4.572 -4.163 -4.152 181 H THR 23 H THR 23 -4.085 -3.391 0.492 182 HA THR 23 HA THR 23 -1.952 -5.176 0.896 183 HB THR 23 HB THR 23 -3.626 -6.471 2.254 184 HG1 THR 23 1HG THR 23 -5.380 -4.316 1.581 185 HG21 THR 23 3HG2 THR 23 -3.531 -3.496 2.755 186 HG22 THR 23 1HG2 THR 23 -2.308 -4.663 3.259 187 HG23 THR 23 2HG2 THR 23 -3.930 -4.728 3.952 188 H GLY 24 H GLY 24 -4.946 -5.433 -0.938 189 HA2 GLY 24 2HA GLY 24 -5.464 -6.804 -2.674 190 HA3 GLY 24 1HA GLY 24 -3.837 -7.483 -2.594 191 H MET 25 H MET 25 -4.675 -9.555 -2.789 192 HA MET 25 HA MET 25 -6.396 -10.538 -0.700 193 HB2 MET 25 2HB MET 25 -5.045 -11.948 -3.013 194 HB3 MET 25 1HB MET 25 -6.053 -12.761 -1.837 195 HG2 MET 25 2HG MET 25 -7.332 -12.395 -3.794 196 HG3 MET 25 1HG MET 25 -7.945 -11.330 -2.535 197 HE1 MET 25 3HE MET 25 -5.493 -9.950 -6.219 198 HE2 MET 25 1HE MET 25 -6.025 -11.607 -5.946 199 HE3 MET 25 2HE MET 25 -4.767 -10.903 -4.928 200 HA PRO 26 HA PRO 26 -3.037 -11.750 1.922 201 HB2 PRO 26 2HB PRO 26 -4.278 -13.807 3.258 202 HB3 PRO 26 1HB PRO 26 -4.537 -12.102 3.643 203 HG2 PRO 26 2HG PRO 26 -6.218 -13.948 2.009 204 HG3 PRO 26 1HG PRO 26 -6.721 -12.719 3.187 205 HD2 PRO 26 2HD PRO 26 -6.816 -12.300 0.515 206 HD3 PRO 26 1HD PRO 26 -6.471 -10.991 1.668 207 H PHE 27 H PHE 27 -1.421 -12.791 1.012 208 HA PHE 27 HA PHE 27 -1.953 -15.440 -0.078 209 HB2 PHE 27 2HB PHE 27 -0.017 -13.377 -1.120 210 HB3 PHE 27 1HB PHE 27 -0.013 -15.063 -1.619 211 HD1 PHE 27 2HD PHE 27 -2.530 -15.878 -2.302 212 HD2 PHE 27 1HD PHE 27 -0.992 -11.924 -2.589 213 HE1 PHE 27 2HE PHE 27 -4.171 -15.377 -4.053 214 HE2 PHE 27 1HE PHE 27 -2.627 -11.412 -4.346 215 HZ PHE 27 HZ PHE 27 -4.228 -13.151 -5.085 216 H ARG 28 H ARG 28 -0.611 -17.009 0.354 217 HA ARG 28 HA ARG 28 1.109 -16.622 2.665 218 HB2 ARG 28 2HB ARG 28 0.217 -19.121 1.240 219 HB3 ARG 28 1HB ARG 28 1.038 -19.048 2.794 220 HG2 ARG 28 2HG ARG 28 -0.844 -18.009 3.822 221 HG3 ARG 28 1HG ARG 28 -1.639 -17.794 2.264 222 HD2 ARG 28 2HD ARG 28 -1.656 -20.253 2.019 223 HD3 ARG 28 1HD ARG 28 -1.056 -20.388 3.673 224 HE ARG 28 HE ARG 28 -3.186 -18.919 4.078 225 HH11 ARG 28 1HH1 ARG 28 -2.855 -21.680 1.904 226 HH12 ARG 28 2HH1 ARG 28 -4.468 -22.194 2.075 227 HH21 ARG 28 1HH2 ARG 28 -5.403 -19.602 4.307 228 HH22 ARG 28 2HH2 ARG 28 -5.975 -20.959 3.458 229 H ASN 29 H ASN 29 3.220 -16.558 2.499 230 HA ASN 29 HA ASN 29 5.346 -16.686 1.770 231 HB2 ASN 29 2HB ASN 29 4.766 -19.124 1.360 232 HB3 ASN 29 1HB ASN 29 4.386 -18.696 -0.300 233 HD21 ASN 29 1HD2 ASN 29 5.966 -20.000 -1.162 234 HD22 ASN 29 2HD2 ASN 29 7.655 -19.672 -0.978 235 H LEU 30 H LEU 30 3.266 -14.933 0.576 236 HA LEU 30 HA LEU 30 4.920 -13.969 -1.600 237 HB2 LEU 30 2HB LEU 30 3.179 -15.287 -2.713 238 HB3 LEU 30 1HB LEU 30 1.943 -14.397 -1.849 239 HG LEU 30 HG LEU 30 2.708 -12.321 -3.010 240 HD11 LEU 30 1HD1 LEU 30 4.056 -12.533 -5.029 241 HD12 LEU 30 2HD1 LEU 30 4.367 -14.227 -4.639 242 HD13 LEU 30 3HD1 LEU 30 4.954 -12.949 -3.571 243 HD21 LEU 30 3HD2 LEU 30 1.661 -12.852 -5.153 244 HD22 LEU 30 1HD2 LEU 30 0.759 -13.513 -3.793 245 HD23 LEU 30 2HD2 LEU 30 1.769 -14.577 -4.780 246 H LYS 31 H LYS 31 5.107 -11.843 -1.537 247 HA LYS 31 HA LYS 31 3.263 -10.391 0.185 248 HB2 LYS 31 2HB LYS 31 6.157 -9.846 -0.458 249 HB3 LYS 31 1HB LYS 31 5.108 -8.609 0.216 250 HG2 LYS 31 2HG LYS 31 5.736 -11.259 1.505 251 HG3 LYS 31 1HG LYS 31 6.457 -9.704 1.937 252 HD2 LYS 31 2HD LYS 31 4.225 -8.844 2.498 253 HD3 LYS 31 1HD LYS 31 3.525 -10.405 2.099 254 HE2 LYS 31 2HE LYS 31 4.859 -11.444 3.874 255 HE3 LYS 31 1HE LYS 31 5.507 -9.856 4.292 256 HZ1 LYS 31 3HZ LYS 31 3.650 -10.421 5.734 257 HZ2 LYS 31 1HZ LYS 31 2.649 -10.644 4.392 258 HZ3 LYS 31 2HZ LYS 31 3.242 -9.119 4.739 259 H LEU 32 H LEU 32 1.725 -9.758 -1.081 260 HA LEU 32 HA LEU 32 2.292 -8.664 -3.690 261 HB2 LEU 32 2HB LEU 32 0.245 -10.035 -3.240 262 HB3 LEU 32 1HB LEU 32 -0.315 -8.821 -2.117 263 HG LEU 32 HG LEU 32 -1.500 -8.853 -4.330 264 HD11 LEU 32 1HD1 LEU 32 -0.074 -6.273 -3.732 265 HD12 LEU 32 2HD1 LEU 32 -1.584 -6.826 -3.005 266 HD13 LEU 32 3HD1 LEU 32 -1.520 -6.448 -4.727 267 HD21 LEU 32 3HD2 LEU 32 1.123 -7.837 -5.398 268 HD22 LEU 32 1HD2 LEU 32 -0.392 -7.925 -6.292 269 HD23 LEU 32 2HD2 LEU 32 0.400 -9.407 -5.746 270 H ILE 33 H ILE 33 3.210 -6.761 -3.685 271 HA ILE 33 HA ILE 33 2.440 -4.909 -1.582 272 HB ILE 33 HB ILE 33 5.128 -5.361 -2.832 273 HG12 ILE 33 2HG1 ILE 33 4.592 -6.720 -0.901 274 HG13 ILE 33 1HG1 ILE 33 5.840 -5.549 -0.481 275 HG21 ILE 33 1HG2 ILE 33 6.000 -3.403 -1.652 276 HG22 ILE 33 2HG2 ILE 33 4.367 -2.966 -1.157 277 HG23 ILE 33 3HG2 ILE 33 4.805 -2.939 -2.866 278 HD11 ILE 33 3HD1 ILE 33 4.280 -5.668 1.336 279 HD12 ILE 33 1HD1 ILE 33 2.912 -5.410 0.241 280 HD13 ILE 33 2HD1 ILE 33 4.057 -4.119 0.499 281 H LEU 34 H LEU 34 1.242 -3.465 -2.159 282 HA LEU 34 HA LEU 34 1.985 -1.802 -4.402 283 HB2 LEU 34 2HB LEU 34 -0.730 -2.830 -3.687 284 HB3 LEU 34 1HB LEU 34 -0.551 -1.383 -4.691 285 HG LEU 34 HG LEU 34 0.330 -4.208 -5.330 286 HD11 LEU 34 1HD1 LEU 34 -1.888 -2.522 -6.478 287 HD12 LEU 34 2HD1 LEU 34 -2.084 -3.924 -5.425 288 HD13 LEU 34 3HD1 LEU 34 -1.414 -4.123 -7.044 289 HD21 LEU 34 3HD2 LEU 34 1.851 -2.602 -6.347 290 HD22 LEU 34 1HD2 LEU 34 0.481 -1.702 -7.007 291 HD23 LEU 34 2HD2 LEU 34 0.822 -3.336 -7.572 292 H GLN 35 H GLN 35 3.108 -0.831 -2.682 293 HA GLN 35 HA GLN 35 1.472 0.743 -0.801 294 HB2 GLN 35 2HB GLN 35 4.359 -0.101 -0.651 295 HB3 GLN 35 1HB GLN 35 3.531 0.874 0.554 296 HG2 GLN 35 2HG GLN 35 2.133 -0.965 1.137 297 HG3 GLN 35 1HG GLN 35 2.774 -1.942 -0.183 298 HE21 GLN 35 1HE2 GLN 35 5.544 -1.013 0.315 299 HE22 GLN 35 2HE2 GLN 35 6.030 -1.828 1.752 300 H GLY 36 H GLY 36 1.266 2.743 -1.638 301 HA2 GLY 36 2HA GLY 36 3.697 4.042 -2.529 302 HA3 GLY 36 1HA GLY 36 2.368 3.974 -3.681 303 H CYS 37 H CYS 37 2.314 6.231 -3.697 304 HA CYS 37 HA CYS 37 0.804 7.285 -1.450 305 HB2 CYS 37 2HB CYS 37 2.912 8.829 -3.031 306 HB3 CYS 37 1HB CYS 37 1.782 9.518 -1.889 307 H SER 38 H SER 38 -0.958 8.452 -1.994 308 HA SER 38 HA SER 38 -1.594 8.372 -4.842 309 HB2 SER 38 2HB SER 38 -2.670 6.515 -3.717 310 HB3 SER 38 1HB SER 38 -3.381 7.607 -2.532 311 HG SER 38 HG SER 38 -4.077 7.076 -5.153 312 H SER 39 H SER 39 -2.794 9.957 -5.651 313 HA SER 39 HA SER 39 -2.902 12.451 -4.202 314 HB2 SER 39 2HB SER 39 -3.715 11.770 -7.034 315 HB3 SER 39 1HB SER 39 -3.400 13.383 -6.379 316 HG SER 39 HG SER 39 -1.615 11.302 -6.986 317 H SER 40 H SER 40 -5.036 9.929 -5.357 318 HA SER 40 HA SER 40 -7.252 11.108 -3.916 319 HB2 SER 40 2HB SER 40 -7.410 10.051 -6.767 320 HB3 SER 40 1HB SER 40 -8.756 10.696 -5.825 321 HG SER 40 HG SER 40 -7.090 12.587 -5.690 322 H CYS 41 H CYS 41 -7.569 9.496 -2.435 323 HA CYS 41 HA CYS 41 -6.860 6.769 -3.293 324 HB2 CYS 41 2HB CYS 41 -5.276 7.991 -1.746 325 HB3 CYS 41 1HB CYS 41 -6.535 7.904 -0.530 326 H SER 42 H SER 42 -8.227 5.147 -2.799 327 HA SER 42 HA SER 42 -10.754 5.874 -1.579 328 HB2 SER 42 2HB SER 42 -9.962 3.464 -3.224 329 HB3 SER 42 1HB SER 42 -11.583 3.774 -2.595 330 HG SER 42 HG SER 42 -10.162 5.090 -4.624 331 H GLU 43 H GLU 43 -10.732 5.656 0.490 332 HA GLU 43 HA GLU 43 -9.089 3.948 2.006 333 HB2 GLU 43 2HB GLU 43 -11.578 5.495 2.704 334 HB3 GLU 43 1HB GLU 43 -10.536 4.709 3.884 335 HG2 GLU 43 2HG GLU 43 -8.744 6.113 3.393 336 HG3 GLU 43 1HG GLU 43 -9.515 6.757 1.944 337 H THR 44 H THR 44 -9.296 1.840 1.842 338 HA THR 44 HA THR 44 -11.903 0.613 2.309 339 HB THR 44 HB THR 44 -11.189 -1.151 0.561 340 HG1 THR 44 1HG THR 44 -9.485 1.014 -0.091 341 HG21 THR 44 3HG2 THR 44 -12.152 0.100 -1.315 342 HG22 THR 44 1HG2 THR 44 -11.890 1.614 -0.445 343 HG23 THR 44 2HG2 THR 44 -13.037 0.433 0.176 344 H GLU 45 H GLU 45 -11.443 -1.878 2.709 345 HA GLU 45 HA GLU 45 -9.399 -2.053 4.693 346 HB2 GLU 45 2HB GLU 45 -11.525 -3.306 4.840 347 HB3 GLU 45 1HB GLU 45 -11.090 -4.210 3.398 348 HG2 GLU 45 2HG GLU 45 -10.730 -5.501 5.432 349 HG3 GLU 45 1HG GLU 45 -9.229 -5.211 4.555 350 H ASN 46 H ASN 46 -9.869 -3.091 1.421 351 HA ASN 46 HA ASN 46 -7.490 -4.515 1.025 352 HB2 ASN 46 2HB ASN 46 -9.309 -4.635 -0.587 353 HB3 ASN 46 1HB ASN 46 -9.153 -2.913 -0.931 354 HD21 ASN 46 1HD2 ASN 46 -8.741 -3.243 -3.121 355 HD22 ASN 46 2HD2 ASN 46 -7.248 -3.930 -3.672 356 H ASN 47 H ASN 47 -8.252 -1.131 0.123 357 HA ASN 47 HA ASN 47 -5.389 -0.655 0.091 358 HB2 ASN 47 2HB ASN 47 -6.407 -0.308 -2.051 359 HB3 ASN 47 1HB ASN 47 -7.651 0.727 -1.353 360 HD21 ASN 47 1HD2 ASN 47 -7.151 2.808 -0.837 361 HD22 ASN 47 2HD2 ASN 47 -5.687 3.562 -1.317 362 H LYS 48 H LYS 48 -4.780 0.050 1.890 363 HA LYS 48 HA LYS 48 -6.460 1.636 3.637 364 HB2 LYS 48 2HB LYS 48 -5.090 -0.168 4.574 365 HB3 LYS 48 1HB LYS 48 -3.641 0.600 3.946 366 HG2 LYS 48 2HG LYS 48 -4.035 2.531 5.414 367 HG3 LYS 48 1HG LYS 48 -5.469 1.733 6.053 368 HD2 LYS 48 2HD LYS 48 -3.617 1.430 7.596 369 HD3 LYS 48 1HD LYS 48 -4.033 -0.119 6.869 370 HE2 LYS 48 2HE LYS 48 -2.155 0.086 5.324 371 HE3 LYS 48 1HE LYS 48 -1.757 1.670 5.988 372 HZ1 LYS 48 3HZ LYS 48 -0.331 -0.019 6.947 373 HZ2 LYS 48 1HZ LYS 48 -1.666 -0.922 7.439 374 HZ3 LYS 48 2HZ LYS 48 -1.345 0.575 8.131 375 H CYS 49 H CYS 49 -6.509 3.758 3.370 376 HA CYS 49 HA CYS 49 -4.143 5.162 2.334 377 HB2 CYS 49 2HB CYS 49 -6.912 6.292 2.732 378 HB3 CYS 49 1HB CYS 49 -5.606 6.961 1.773 379 H CYS 50 H CYS 50 -3.031 6.449 3.702 380 HA CYS 50 HA CYS 50 -4.338 7.449 6.103 381 HB2 CYS 50 2HB CYS 50 -2.230 6.903 7.368 382 HB3 CYS 50 1HB CYS 50 -3.169 5.494 6.882 383 H SER 51 H SER 51 -3.245 9.410 6.915 384 HA SER 51 HA SER 51 -1.389 10.489 4.962 385 HB2 SER 51 2HB SER 51 -2.449 12.757 5.352 386 HB3 SER 51 1HB SER 51 -3.415 11.610 4.422 387 HG SER 51 HG SER 51 -3.803 11.570 7.163 388 H THR 52 H THR 52 0.116 9.613 6.509 389 HA THR 52 HA THR 52 1.008 11.757 8.208 390 HB THR 52 HB THR 52 1.048 8.939 9.270 391 HG1 THR 52 1HG THR 52 -1.048 10.781 9.239 392 HG21 THR 52 3HG2 THR 52 1.229 11.637 10.617 393 HG22 THR 52 1HG2 THR 52 2.571 10.540 10.296 394 HG23 THR 52 2HG2 THR 52 1.314 10.084 11.448 395 H ASP 53 H ASP 53 3.298 11.510 8.486 396 HA ASP 53 HA ASP 53 4.506 10.432 6.155 397 HB2 ASP 53 2HB ASP 53 5.746 11.639 8.636 398 HB3 ASP 53 1HB ASP 53 6.693 11.072 7.269 399 H ARG 54 H ARG 54 5.279 8.581 5.773 400 HA ARG 54 HA ARG 54 6.045 6.483 5.884 401 HB2 ARG 54 2HB ARG 54 6.635 7.034 8.790 402 HB3 ARG 54 1HB ARG 54 7.218 5.648 7.891 403 HG2 ARG 54 2HG ARG 54 8.512 7.164 6.454 404 HG3 ARG 54 1HG ARG 54 7.932 8.532 7.408 405 HD2 ARG 54 2HD ARG 54 10.108 7.930 8.196 406 HD3 ARG 54 1HD ARG 54 8.933 7.476 9.429 407 HE ARG 54 HE ARG 54 10.069 5.547 7.514 408 HH11 ARG 54 1HH1 ARG 54 9.132 6.334 10.854 409 HH12 ARG 54 2HH1 ARG 54 9.822 4.945 11.521 410 HH21 ARG 54 1HH2 ARG 54 11.048 3.571 8.497 411 HH22 ARG 54 2HH2 ARG 54 10.914 3.370 10.165 412 H CYS 55 H CYS 55 3.177 7.214 6.775 413 HA CYS 55 HA CYS 55 2.504 5.306 8.773 414 HB2 CYS 55 2HB CYS 55 0.172 5.802 8.256 415 HB3 CYS 55 1HB CYS 55 1.136 7.265 8.412 416 H ASN 56 H ASN 56 2.995 4.906 5.402 417 HA ASN 56 HA ASN 56 1.284 2.552 5.252 418 HB2 ASN 56 2HB ASN 56 1.730 2.527 2.881 419 HB3 ASN 56 1HB ASN 56 1.385 4.181 3.349 420 HD21 ASN 56 1HD2 ASN 56 2.720 3.193 1.053 421 HD22 ASN 56 2HD2 ASN 56 4.323 3.819 1.018 422 H LYS 57 H LYS 57 3.395 2.459 7.024 423 HA LYS 57 HA LYS 57 5.641 1.050 5.999 424 HB2 LYS 57 2HB LYS 57 6.198 0.646 8.417 425 HB3 LYS 57 1HB LYS 57 5.982 2.334 7.993 426 HG2 LYS 57 2HG LYS 57 3.758 2.302 8.944 427 HG3 LYS 57 1HG LYS 57 3.944 0.599 9.363 428 HD2 LYS 57 2HD LYS 57 4.342 1.952 11.328 429 HD3 LYS 57 1HD LYS 57 5.862 1.223 10.820 430 HE2 LYS 57 2HE LYS 57 6.572 3.299 9.801 431 HE3 LYS 57 1HE LYS 57 5.008 4.039 10.131 432 HZ1 LYS 57 3HZ LYS 57 6.653 4.738 11.754 433 HZ2 LYS 57 1HZ LYS 57 6.985 3.147 12.166 434 HZ3 LYS 57 2HZ LYS 57 5.486 3.814 12.512 Start of MODEL 8 1 H1 LEU 1 1HT LEU 1 4.994 15.145 1.766 2 H2 LEU 1 2HT LEU 1 5.770 15.173 3.263 3 H3 LEU 1 3HT LEU 1 4.105 15.436 3.180 4 HA LEU 1 HA LEU 1 4.678 13.235 3.955 5 HB2 LEU 1 2HB LEU 1 3.265 13.497 1.357 6 HB3 LEU 1 1HB LEU 1 3.493 11.930 2.096 7 HG LEU 1 HG LEU 1 1.972 14.249 3.276 8 HD11 LEU 1 2HD1 LEU 1 1.221 11.563 2.245 9 HD12 LEU 1 3HD1 LEU 1 0.920 13.092 1.408 10 HD13 LEU 1 1HD1 LEU 1 0.092 12.741 2.940 11 HD21 LEU 1 1HD2 LEU 1 1.356 12.602 5.008 12 HD22 LEU 1 2HD2 LEU 1 3.068 12.982 5.040 13 HD23 LEU 1 3HD2 LEU 1 2.524 11.469 4.330 14 H LYS 2 H LYS 2 6.432 12.245 4.098 15 HA LYS 2 HA LYS 2 7.436 11.052 1.654 16 HB2 LYS 2 2HB LYS 2 9.614 10.630 2.882 17 HB3 LYS 2 1HB LYS 2 9.254 12.313 2.530 18 HG2 LYS 2 2HG LYS 2 8.552 12.620 4.850 19 HG3 LYS 2 1HG LYS 2 8.966 10.936 5.182 20 HD2 LYS 2 2HD LYS 2 11.277 11.353 4.593 21 HD3 LYS 2 1HD LYS 2 10.893 13.012 4.140 22 HE2 LYS 2 2HE LYS 2 11.906 12.956 6.335 23 HE3 LYS 2 1HE LYS 2 10.227 13.472 6.456 24 HZ1 LYS 2 3HZ LYS 2 9.631 11.222 7.145 25 HZ2 LYS 2 1HZ LYS 2 10.783 11.903 8.170 26 HZ3 LYS 2 2HZ LYS 2 11.252 10.749 7.042 27 H CYS 3 H CYS 3 7.013 9.048 1.352 28 HA CYS 3 HA CYS 3 6.375 7.415 3.660 29 HB2 CYS 3 2HB CYS 3 4.510 7.891 1.330 30 HB3 CYS 3 1HB CYS 3 4.307 6.581 2.494 31 H PHE 4 H PHE 4 5.957 5.050 2.949 32 HA PHE 4 HA PHE 4 8.400 4.399 1.548 33 HB2 PHE 4 2HB PHE 4 6.395 2.580 2.899 34 HB3 PHE 4 1HB PHE 4 7.967 2.114 2.278 35 HD1 PHE 4 1HD PHE 4 10.014 2.951 3.411 36 HD2 PHE 4 2HD PHE 4 6.130 3.499 5.029 37 HE1 PHE 4 1HE PHE 4 10.997 3.369 5.610 38 HE2 PHE 4 2HE PHE 4 7.109 3.924 7.236 39 HZ PHE 4 HZ PHE 4 9.548 3.857 7.535 40 H GLN 5 H GLN 5 7.652 5.006 -0.574 41 HA GLN 5 HA GLN 5 5.404 3.579 -1.702 42 HB2 GLN 5 2HB GLN 5 6.066 5.731 -2.681 43 HB3 GLN 5 1HB GLN 5 7.626 5.053 -3.124 44 HG2 GLN 5 2HG GLN 5 6.549 3.528 -4.680 45 HG3 GLN 5 1HG GLN 5 4.968 4.146 -4.228 46 HE21 GLN 5 1HE2 GLN 5 7.832 6.132 -4.672 47 HE22 GLN 5 2HE2 GLN 5 7.248 6.959 -6.065 48 H HIS 6 H HIS 6 8.855 3.171 -1.771 49 HA HIS 6 HA HIS 6 8.537 0.652 -3.278 50 HB2 HIS 6 2HB HIS 6 11.046 2.262 -2.729 51 HB3 HIS 6 1HB HIS 6 10.958 0.808 -3.710 52 HD1 HIS 6 1HD HIS 6 10.154 1.091 -6.129 53 HD2 HIS 6 2HD HIS 6 9.988 4.573 -3.885 54 HE1 HIS 6 1HE HIS 6 9.688 2.966 -7.772 55 H GLY 7 H GLY 7 8.229 1.366 -0.290 56 HA2 GLY 7 2HA GLY 7 8.617 0.128 1.661 57 HA3 GLY 7 1HA GLY 7 9.831 -0.814 0.797 58 H LYS 8 H LYS 8 10.628 1.972 -0.163 59 HA LYS 8 HA LYS 8 12.494 2.658 1.995 60 HB2 LYS 8 2HB LYS 8 12.518 3.393 -0.946 61 HB3 LYS 8 1HB LYS 8 13.772 3.779 0.221 62 HG2 LYS 8 2HG LYS 8 14.332 1.442 0.458 63 HG3 LYS 8 1HG LYS 8 12.989 0.986 -0.592 64 HD2 LYS 8 2HD LYS 8 14.024 2.229 -2.434 65 HD3 LYS 8 1HD LYS 8 15.376 2.649 -1.383 66 HE2 LYS 8 2HE LYS 8 15.972 0.314 -1.162 67 HE3 LYS 8 1HE LYS 8 14.563 -0.167 -2.108 68 HZ1 LYS 8 3HZ LYS 8 16.576 -0.176 -3.431 69 HZ2 LYS 8 1HZ LYS 8 16.844 1.457 -3.107 70 HZ3 LYS 8 2HZ LYS 8 15.500 0.969 -4.010 71 H VAL 9 H VAL 9 12.679 4.950 2.470 72 HA VAL 9 HA VAL 9 10.143 6.282 2.431 73 HB VAL 9 HB VAL 9 12.795 7.418 3.320 74 HG11 VAL 9 1HG1 VAL 9 9.968 8.138 4.055 75 HG12 VAL 9 2HG1 VAL 9 11.061 9.060 3.025 76 HG13 VAL 9 3HG1 VAL 9 11.420 8.870 4.738 77 HG21 VAL 9 3HG2 VAL 9 10.797 5.865 4.966 78 HG22 VAL 9 1HG2 VAL 9 12.222 6.693 5.595 79 HG23 VAL 9 2HG2 VAL 9 12.409 5.320 4.504 80 H VAL 10 H VAL 10 9.506 7.244 0.586 81 HA VAL 10 HA VAL 10 11.450 8.989 -0.709 82 HB VAL 10 HB VAL 10 10.390 8.607 -2.885 83 HG11 VAL 10 1HG1 VAL 10 11.163 6.325 -3.324 84 HG12 VAL 10 2HG1 VAL 10 11.257 6.033 -1.586 85 HG13 VAL 10 3HG1 VAL 10 12.305 7.236 -2.336 86 HG21 VAL 10 3HG2 VAL 10 8.735 6.507 -1.493 87 HG22 VAL 10 1HG2 VAL 10 8.779 6.809 -3.230 88 HG23 VAL 10 2HG2 VAL 10 8.142 8.040 -2.135 89 H THR 11 H THR 11 10.537 10.897 -1.592 90 HA THR 11 HA THR 11 8.384 11.818 0.071 91 HB THR 11 HB THR 11 9.960 13.321 -2.037 92 HG1 THR 11 1HG THR 11 10.964 12.227 0.020 93 HG21 THR 11 3HG2 THR 11 8.379 14.279 0.365 94 HG22 THR 11 1HG2 THR 11 7.865 14.425 -1.315 95 HG23 THR 11 2HG2 THR 11 9.286 15.302 -0.748 96 H CYS 12 H CYS 12 6.319 12.015 -0.545 97 HA CYS 12 HA CYS 12 5.448 11.025 -3.071 98 HB2 CYS 12 2HB CYS 12 3.905 12.450 -0.892 99 HB3 CYS 12 1HB CYS 12 3.217 11.502 -2.204 100 H HIS 13 H HIS 13 4.060 12.308 -4.546 101 HA HIS 13 HA HIS 13 5.406 14.705 -5.271 102 HB2 HIS 13 2HB HIS 13 4.300 12.953 -6.811 103 HB3 HIS 13 1HB HIS 13 2.782 13.744 -6.421 104 HD1 HIS 13 1HD HIS 13 2.165 15.794 -7.961 105 HD2 HIS 13 2HD HIS 13 6.181 14.656 -8.146 106 HE1 HIS 13 1HE HIS 13 3.197 17.180 -9.714 107 H ARG 14 H ARG 14 4.164 16.717 -5.785 108 HA ARG 14 HA ARG 14 3.087 17.771 -3.392 109 HB2 ARG 14 2HB ARG 14 2.827 19.864 -4.687 110 HB3 ARG 14 1HB ARG 14 4.435 19.162 -4.756 111 HG2 ARG 14 2HG ARG 14 3.866 18.221 -6.991 112 HG3 ARG 14 1HG ARG 14 2.323 19.065 -6.900 113 HD2 ARG 14 2HD ARG 14 5.018 20.399 -6.734 114 HD3 ARG 14 1HD ARG 14 4.050 20.295 -8.200 115 HE ARG 14 HE ARG 14 2.308 21.457 -6.706 116 HH11 ARG 14 1HH1 ARG 14 5.817 22.112 -6.595 117 HH12 ARG 14 2HH1 ARG 14 5.613 23.750 -6.195 118 HH21 ARG 14 1HH2 ARG 14 2.078 23.731 -6.206 119 HH22 ARG 14 2HH2 ARG 14 3.454 24.694 -5.957 120 H ASP 15 H ASP 15 1.469 15.868 -5.424 121 HA ASP 15 HA ASP 15 -1.101 17.287 -5.107 122 HB2 ASP 15 2HB ASP 15 -0.463 14.846 -6.776 123 HB3 ASP 15 1HB ASP 15 -2.001 15.684 -6.702 124 H MET 16 H MET 16 0.838 14.951 -3.791 125 HA MET 16 HA MET 16 -1.282 13.120 -3.188 126 HB2 MET 16 2HB MET 16 1.697 12.951 -2.895 127 HB3 MET 16 1HB MET 16 0.638 11.778 -2.128 128 HG2 MET 16 2HG MET 16 1.434 10.948 -4.211 129 HG3 MET 16 1HG MET 16 -0.305 11.172 -4.241 130 HE1 MET 16 3HE MET 16 0.489 11.723 -7.899 131 HE2 MET 16 1HE MET 16 -0.595 11.033 -6.675 132 HE3 MET 16 2HE MET 16 1.092 10.532 -6.723 133 H LYS 17 H LYS 17 -2.420 13.187 -1.572 134 HA LYS 17 HA LYS 17 -1.665 14.773 0.773 135 HB2 LYS 17 2HB LYS 17 -3.737 15.387 -0.532 136 HB3 LYS 17 1HB LYS 17 -4.357 13.805 -0.160 137 HG2 LYS 17 2HG LYS 17 -4.515 14.294 2.150 138 HG3 LYS 17 1HG LYS 17 -3.652 15.822 1.943 139 HD2 LYS 17 2HD LYS 17 -5.434 16.663 0.548 140 HD3 LYS 17 1HD LYS 17 -6.300 15.133 0.688 141 HE2 LYS 17 2HE LYS 17 -5.607 16.943 2.996 142 HE3 LYS 17 1HE LYS 17 -7.172 16.916 2.187 143 HZ1 LYS 17 3HZ LYS 17 -5.922 14.664 3.670 144 HZ2 LYS 17 1HZ LYS 17 -7.399 14.590 2.833 145 HZ3 LYS 17 2HZ LYS 17 -7.227 15.591 4.169 146 H PHE 18 H PHE 18 -2.288 11.582 -0.370 147 HA PHE 18 HA PHE 18 -2.315 10.570 2.377 148 HB2 PHE 18 2HB PHE 18 -3.925 9.509 0.037 149 HB3 PHE 18 1HB PHE 18 -3.801 8.746 1.612 150 HD1 PHE 18 1HD PHE 18 -5.226 11.532 -0.288 151 HD2 PHE 18 2HD PHE 18 -5.053 9.592 3.495 152 HE1 PHE 18 1HE PHE 18 -7.165 12.811 0.433 153 HE2 PHE 18 2HE PHE 18 -7.023 10.866 4.240 154 HZ PHE 18 HZ PHE 18 -8.095 12.474 2.714 155 H CYS 19 H CYS 19 -1.219 8.673 2.636 156 HA CYS 19 HA CYS 19 0.366 7.720 0.374 157 HB2 CYS 19 2HB CYS 19 0.795 7.362 3.362 158 HB3 CYS 19 1HB CYS 19 1.873 6.799 2.089 159 H TYR 20 H TYR 20 0.084 5.522 -0.147 160 HA TYR 20 HA TYR 20 -1.976 4.260 1.475 161 HB2 TYR 20 2HB TYR 20 -3.042 3.266 -0.454 162 HB3 TYR 20 1HB TYR 20 -3.020 5.009 -0.602 163 HD1 TYR 20 1HD TYR 20 -1.555 1.847 -1.907 164 HD2 TYR 20 2HD TYR 20 -1.985 6.030 -2.480 165 HE1 TYR 20 1HE TYR 20 -0.721 1.589 -4.194 166 HE2 TYR 20 2HE TYR 20 -1.151 5.804 -4.784 167 HH TYR 20 HH TYR 20 -0.890 2.846 -6.345 168 H HIS 21 H HIS 21 -2.050 2.094 1.571 169 HA HIS 21 HA HIS 21 0.315 0.633 0.684 170 HB2 HIS 21 2HB HIS 21 0.558 1.300 3.094 171 HB3 HIS 21 1HB HIS 21 -0.954 0.480 3.438 172 HD1 HIS 21 1HD HIS 21 0.588 -0.861 5.165 173 HD2 HIS 21 2HD HIS 21 1.340 -1.562 1.148 174 HE1 HIS 21 1HE HIS 21 2.009 -2.949 5.067 175 H ASN 22 H ASN 22 -0.680 -0.566 -0.814 176 HA ASN 22 HA ASN 22 -3.304 -1.728 -0.214 177 HB2 ASN 22 2HB ASN 22 -3.033 -0.517 -2.356 178 HB3 ASN 22 1HB ASN 22 -1.764 -1.630 -2.825 179 HD21 ASN 22 1HD2 ASN 22 -2.368 -3.811 -3.302 180 HD22 ASN 22 2HD2 ASN 22 -3.991 -4.206 -3.719 181 H THR 23 H THR 23 -3.108 -3.479 0.876 182 HA THR 23 HA THR 23 -0.776 -5.052 0.878 183 HB THR 23 HB THR 23 -2.136 -6.660 2.262 184 HG1 THR 23 1HG THR 23 -4.179 -4.662 1.919 185 HG21 THR 23 3HG2 THR 23 -2.386 -5.116 4.144 186 HG22 THR 23 1HG2 THR 23 -2.247 -3.749 3.040 187 HG23 THR 23 2HG2 THR 23 -0.868 -4.829 3.283 188 H GLY 24 H GLY 24 -3.833 -5.374 -0.788 189 HA2 GLY 24 2HA GLY 24 -4.406 -6.579 -2.602 190 HA3 GLY 24 1HA GLY 24 -2.701 -6.973 -2.818 191 H MET 25 H MET 25 -2.648 -9.032 -3.042 192 HA MET 25 HA MET 25 -4.043 -10.711 -1.107 193 HB2 MET 25 2HB MET 25 -2.863 -11.362 -3.814 194 HB3 MET 25 1HB MET 25 -3.569 -12.560 -2.736 195 HG2 MET 25 2HG MET 25 -5.730 -11.505 -2.937 196 HG3 MET 25 1HG MET 25 -5.040 -10.205 -3.903 197 HE1 MET 25 3HE MET 25 -7.251 -12.172 -6.483 198 HE2 MET 25 1HE MET 25 -6.919 -10.603 -5.750 199 HE3 MET 25 2HE MET 25 -7.599 -11.905 -4.774 200 HA PRO 26 HA PRO 26 0.075 -11.231 0.540 201 HB2 PRO 26 2HB PRO 26 -0.579 -12.715 2.667 202 HB3 PRO 26 1HB PRO 26 -1.010 -11.001 2.586 203 HG2 PRO 26 2HG PRO 26 -2.678 -13.405 1.999 204 HG3 PRO 26 1HG PRO 26 -3.103 -11.963 2.957 205 HD2 PRO 26 2HD PRO 26 -3.850 -12.341 0.357 206 HD3 PRO 26 1HD PRO 26 -3.573 -10.735 1.065 207 H PHE 27 H PHE 27 1.430 -12.543 -0.389 208 HA PHE 27 HA PHE 27 0.727 -15.374 -0.618 209 HB2 PHE 27 2HB PHE 27 2.387 -13.660 -2.448 210 HB3 PHE 27 1HB PHE 27 2.347 -15.420 -2.554 211 HD1 PHE 27 1HD PHE 27 0.276 -16.532 -3.300 212 HD2 PHE 27 2HD PHE 27 0.653 -12.301 -3.263 213 HE1 PHE 27 1HE PHE 27 -1.643 -16.353 -4.825 214 HE2 PHE 27 2HE PHE 27 -1.255 -12.114 -4.787 215 HZ PHE 27 HZ PHE 27 -2.411 -14.135 -5.568 216 H ARG 28 H ARG 28 2.245 -16.831 -0.056 217 HA ARG 28 HA ARG 28 4.022 -16.041 1.972 218 HB2 ARG 28 2HB ARG 28 3.898 -18.681 0.512 219 HB3 ARG 28 1HB ARG 28 4.695 -18.372 2.049 220 HG2 ARG 28 2HG ARG 28 2.535 -17.840 3.061 221 HG3 ARG 28 1HG ARG 28 1.734 -18.196 1.531 222 HD2 ARG 28 2HD ARG 28 1.563 -20.115 2.964 223 HD3 ARG 28 1HD ARG 28 2.675 -20.488 1.648 224 HE ARG 28 HE ARG 28 3.985 -19.469 3.954 225 HH11 ARG 28 1HH1 ARG 28 2.710 -22.406 2.483 226 HH12 ARG 28 2HH1 ARG 28 3.642 -23.475 3.427 227 HH21 ARG 28 1HH2 ARG 28 5.269 -20.925 5.268 228 HH22 ARG 28 2HH2 ARG 28 5.129 -22.613 5.050 229 H ASN 29 H ASN 29 6.025 -15.392 1.840 230 HA ASN 29 HA ASN 29 8.079 -14.822 1.157 231 HB2 ASN 29 2HB ASN 29 7.721 -17.099 -0.779 232 HB3 ASN 29 1HB ASN 29 9.221 -16.181 -0.657 233 HD21 ASN 29 1HD2 ASN 29 8.888 -18.961 -0.288 234 HD22 ASN 29 2HD2 ASN 29 9.321 -19.343 1.338 235 H LEU 30 H LEU 30 5.603 -13.726 -0.086 236 HA LEU 30 HA LEU 30 7.003 -12.288 -2.177 237 HB2 LEU 30 2HB LEU 30 5.794 -13.900 -3.457 238 HB3 LEU 30 1HB LEU 30 4.323 -13.600 -2.556 239 HG LEU 30 HG LEU 30 4.313 -11.273 -3.496 240 HD11 LEU 30 1HD1 LEU 30 6.625 -11.022 -4.051 241 HD12 LEU 30 2HD1 LEU 30 5.635 -10.817 -5.498 242 HD13 LEU 30 3HD1 LEU 30 6.516 -12.324 -5.235 243 HD21 LEU 30 3HD2 LEU 30 3.495 -11.918 -5.704 244 HD22 LEU 30 1HD2 LEU 30 2.889 -12.984 -4.442 245 HD23 LEU 30 2HD2 LEU 30 4.197 -13.525 -5.495 246 H LYS 31 H LYS 31 7.077 -10.410 -1.159 247 HA LYS 31 HA LYS 31 4.711 -9.334 0.074 248 HB2 LYS 31 2HB LYS 31 7.424 -8.083 -0.409 249 HB3 LYS 31 1HB LYS 31 6.099 -7.292 0.429 250 HG2 LYS 31 2HG LYS 31 6.171 -9.057 2.147 251 HG3 LYS 31 1HG LYS 31 7.550 -9.772 1.307 252 HD2 LYS 31 2HD LYS 31 8.808 -7.691 1.612 253 HD3 LYS 31 1HD LYS 31 7.433 -6.990 2.460 254 HE2 LYS 31 2HE LYS 31 9.103 -7.771 4.044 255 HE3 LYS 31 1HE LYS 31 7.622 -8.713 4.191 256 HZ1 LYS 31 3HZ LYS 31 8.672 -10.475 2.904 257 HZ2 LYS 31 1HZ LYS 31 9.561 -10.108 4.276 258 HZ3 LYS 31 2HZ LYS 31 10.099 -9.573 2.780 259 H LEU 32 H LEU 32 3.213 -9.020 -1.401 260 HA LEU 32 HA LEU 32 3.800 -7.794 -3.916 261 HB2 LEU 32 2HB LEU 32 1.962 -9.500 -3.479 262 HB3 LEU 32 1HB LEU 32 1.124 -8.272 -2.560 263 HG LEU 32 HG LEU 32 1.719 -8.026 -5.511 264 HD11 LEU 32 1HD1 LEU 32 -0.618 -8.694 -5.835 265 HD12 LEU 32 2HD1 LEU 32 -0.754 -9.025 -4.107 266 HD13 LEU 32 3HD1 LEU 32 0.341 -9.980 -5.107 267 HD21 LEU 32 3HD2 LEU 32 -0.064 -6.347 -5.467 268 HD22 LEU 32 1HD2 LEU 32 1.229 -5.900 -4.356 269 HD23 LEU 32 2HD2 LEU 32 -0.269 -6.591 -3.732 270 H ILE 33 H ILE 33 4.367 -5.790 -3.882 271 HA ILE 33 HA ILE 33 3.408 -4.104 -1.731 272 HB ILE 33 HB ILE 33 6.012 -4.062 -3.232 273 HG12 ILE 33 2HG1 ILE 33 5.911 -5.577 -1.339 274 HG13 ILE 33 1HG1 ILE 33 6.970 -4.225 -0.960 275 HG21 ILE 33 1HG2 ILE 33 5.011 -1.917 -1.373 276 HG22 ILE 33 2HG2 ILE 33 5.286 -1.743 -3.104 277 HG23 ILE 33 3HG2 ILE 33 6.646 -2.033 -2.015 278 HD11 ILE 33 3HD1 ILE 33 4.140 -4.625 0.029 279 HD12 ILE 33 1HD1 ILE 33 5.118 -3.192 0.328 280 HD13 ILE 33 2HD1 ILE 33 5.623 -4.752 0.967 281 H LEU 34 H LEU 34 1.877 -2.935 -2.226 282 HA LEU 34 HA LEU 34 2.160 -1.206 -4.537 283 HB2 LEU 34 2HB LEU 34 -0.300 -2.569 -3.529 284 HB3 LEU 34 1HB LEU 34 -0.430 -1.088 -4.482 285 HG LEU 34 HG LEU 34 0.776 -3.702 -5.342 286 HD11 LEU 34 1HD1 LEU 34 -1.183 -3.845 -6.832 287 HD12 LEU 34 2HD1 LEU 34 -1.826 -2.373 -6.100 288 HD13 LEU 34 3HD1 LEU 34 -1.646 -3.835 -5.132 289 HD21 LEU 34 3HD2 LEU 34 0.276 -1.176 -6.899 290 HD22 LEU 34 1HD2 LEU 34 0.809 -2.708 -7.588 291 HD23 LEU 34 2HD2 LEU 34 1.852 -1.845 -6.464 292 H GLN 35 H GLN 35 3.370 -0.401 -2.622 293 HA GLN 35 HA GLN 35 1.728 1.242 -0.877 294 HB2 GLN 35 2HB GLN 35 4.716 0.954 -1.136 295 HB3 GLN 35 1HB GLN 35 3.882 1.897 0.081 296 HG2 GLN 35 2HG GLN 35 2.993 -0.084 1.066 297 HG3 GLN 35 1HG GLN 35 3.687 -1.092 -0.201 298 HE21 GLN 35 1HE2 GLN 35 4.293 0.703 2.699 299 HE22 GLN 35 2HE2 GLN 35 5.927 0.212 2.886 300 H GLY 36 H GLY 36 1.315 3.256 -1.494 301 HA2 GLY 36 2HA GLY 36 3.205 4.540 -3.268 302 HA3 GLY 36 1HA GLY 36 1.550 4.334 -3.853 303 H CYS 37 H CYS 37 1.727 6.597 -4.023 304 HA CYS 37 HA CYS 37 0.783 7.867 -1.573 305 HB2 CYS 37 2HB CYS 37 2.537 9.158 -3.690 306 HB3 CYS 37 1HB CYS 37 1.908 9.932 -2.241 307 H SER 38 H SER 38 -1.111 9.035 -1.956 308 HA SER 38 HA SER 38 -1.970 9.257 -4.732 309 HB2 SER 38 2HB SER 38 -2.941 7.176 -3.853 310 HB3 SER 38 1HB SER 38 -3.616 8.052 -2.479 311 HG SER 38 HG SER 38 -5.142 7.691 -4.099 312 H SER 39 H SER 39 -3.794 10.707 -4.933 313 HA SER 39 HA SER 39 -3.570 12.980 -3.135 314 HB2 SER 39 2HB SER 39 -3.441 13.246 -5.618 315 HB3 SER 39 1HB SER 39 -5.095 12.676 -5.760 316 HG SER 39 HG SER 39 -4.095 15.016 -4.530 317 H SER 40 H SER 40 -5.454 10.223 -3.672 318 HA SER 40 HA SER 40 -7.612 11.229 -1.978 319 HB2 SER 40 2HB SER 40 -7.909 9.480 -4.434 320 HB3 SER 40 1HB SER 40 -9.216 10.022 -3.385 321 HG SER 40 HG SER 40 -7.673 11.409 -5.225 322 H CYS 41 H CYS 41 -8.988 8.919 -1.613 323 HA CYS 41 HA CYS 41 -6.989 6.960 -0.772 324 HB2 CYS 41 2HB CYS 41 -7.908 8.128 1.182 325 HB3 CYS 41 1HB CYS 41 -9.545 7.772 0.645 326 H SER 42 H SER 42 -8.010 4.736 -0.526 327 HA SER 42 HA SER 42 -9.315 4.040 -2.942 328 HB2 SER 42 2HB SER 42 -9.015 1.758 -1.947 329 HB3 SER 42 1HB SER 42 -7.528 2.696 -2.134 330 HG SER 42 HG SER 42 -8.743 1.790 0.181 331 H GLU 43 H GLU 43 -11.159 2.621 -2.963 332 HA GLU 43 HA GLU 43 -13.267 3.262 -1.094 333 HB2 GLU 43 2HB GLU 43 -14.611 1.741 -2.553 334 HB3 GLU 43 1HB GLU 43 -13.866 3.079 -3.414 335 HG2 GLU 43 2HG GLU 43 -12.165 1.638 -4.300 336 HG3 GLU 43 1HG GLU 43 -12.726 0.295 -3.308 337 H THR 44 H THR 44 -10.906 0.870 -1.518 338 HA THR 44 HA THR 44 -12.341 -1.100 0.076 339 HB THR 44 HB THR 44 -11.418 -1.976 -1.990 340 HG1 THR 44 1HG THR 44 -10.631 -3.719 -1.110 341 HG21 THR 44 3HG2 THR 44 -9.642 -0.364 -2.391 342 HG22 THR 44 1HG2 THR 44 -8.998 -2.005 -2.420 343 HG23 THR 44 2HG2 THR 44 -8.742 -0.983 -1.004 344 H GLU 45 H GLU 45 -11.261 -2.155 1.809 345 HA GLU 45 HA GLU 45 -9.655 -0.376 3.463 346 HB2 GLU 45 2HB GLU 45 -10.897 -3.067 4.014 347 HB3 GLU 45 1HB GLU 45 -10.026 -2.102 5.191 348 HG2 GLU 45 2HG GLU 45 -11.707 -0.391 5.094 349 HG3 GLU 45 1HG GLU 45 -12.528 -1.251 3.789 350 H ASN 46 H ASN 46 -9.330 -3.009 1.344 351 HA ASN 46 HA ASN 46 -7.134 -4.458 2.316 352 HB2 ASN 46 2HB ASN 46 -8.491 -5.101 0.348 353 HB3 ASN 46 1HB ASN 46 -7.840 -3.726 -0.533 354 HD21 ASN 46 1HD2 ASN 46 -7.244 -6.884 0.653 355 HD22 ASN 46 2HD2 ASN 46 -5.756 -7.156 -0.180 356 H ASN 47 H ASN 47 -7.439 -1.455 0.695 357 HA ASN 47 HA ASN 47 -4.578 -0.932 0.853 358 HB2 ASN 47 2HB ASN 47 -5.493 -0.596 -1.362 359 HB3 ASN 47 1HB ASN 47 -6.805 0.385 -0.714 360 HD21 ASN 47 1HD2 ASN 47 -6.382 2.484 -0.115 361 HD22 ASN 47 2HD2 ASN 47 -4.939 3.309 -0.571 362 H LYS 48 H LYS 48 -4.083 0.005 2.622 363 HA LYS 48 HA LYS 48 -6.055 1.625 4.012 364 HB2 LYS 48 2HB LYS 48 -3.262 0.772 4.796 365 HB3 LYS 48 1HB LYS 48 -4.258 1.847 5.762 366 HG2 LYS 48 2HG LYS 48 -4.899 -1.013 5.062 367 HG3 LYS 48 1HG LYS 48 -4.309 -0.425 6.624 368 HD2 LYS 48 2HD LYS 48 -6.368 1.006 6.758 369 HD3 LYS 48 1HD LYS 48 -6.952 0.208 5.301 370 HE2 LYS 48 2HE LYS 48 -6.340 -1.119 7.945 371 HE3 LYS 48 1HE LYS 48 -7.939 -0.801 7.282 372 HZ1 LYS 48 3HZ LYS 48 -7.309 -2.310 5.404 373 HZ2 LYS 48 1HZ LYS 48 -7.361 -3.084 6.898 374 HZ3 LYS 48 2HZ LYS 48 -5.896 -2.658 6.230 375 H CYS 49 H CYS 49 -5.843 3.785 4.319 376 HA CYS 49 HA CYS 49 -3.645 5.043 2.882 377 HB2 CYS 49 2HB CYS 49 -5.145 6.835 2.144 378 HB3 CYS 49 1HB CYS 49 -5.714 5.284 1.541 379 H CYS 50 H CYS 50 -2.685 6.604 3.948 380 HA CYS 50 HA CYS 50 -3.859 7.594 6.399 381 HB2 CYS 50 2HB CYS 50 -1.578 7.183 7.445 382 HB3 CYS 50 1HB CYS 50 -2.557 5.743 7.152 383 H SER 51 H SER 51 -2.666 9.615 7.076 384 HA SER 51 HA SER 51 -1.691 10.909 4.633 385 HB2 SER 51 2HB SER 51 -2.804 12.952 5.655 386 HB3 SER 51 1HB SER 51 -3.871 11.686 5.037 387 HG SER 51 HG SER 51 -4.444 11.168 7.049 388 H THR 52 H THR 52 0.006 9.691 6.761 389 HA THR 52 HA THR 52 1.370 12.141 7.649 390 HB THR 52 HB THR 52 1.296 9.622 9.265 391 HG1 THR 52 1HG THR 52 -0.431 11.896 9.276 392 HG21 THR 52 3HG2 THR 52 1.888 12.500 10.014 393 HG22 THR 52 1HG2 THR 52 3.079 11.217 9.804 394 HG23 THR 52 2HG2 THR 52 1.916 11.131 11.124 395 H ASP 53 H ASP 53 3.590 11.919 7.898 396 HA ASP 53 HA ASP 53 5.055 10.625 5.954 397 HB2 ASP 53 2HB ASP 53 6.370 12.241 6.771 398 HB3 ASP 53 1HB ASP 53 5.664 12.146 8.389 399 H ARG 54 H ARG 54 5.697 8.698 5.599 400 HA ARG 54 HA ARG 54 6.168 6.534 5.727 401 HB2 ARG 54 2HB ARG 54 7.220 7.501 8.356 402 HB3 ARG 54 1HB ARG 54 7.478 5.854 7.803 403 HG2 ARG 54 2HG ARG 54 8.677 6.630 5.877 404 HG3 ARG 54 1HG ARG 54 8.263 8.298 6.249 405 HD2 ARG 54 2HD ARG 54 9.856 6.541 8.093 406 HD3 ARG 54 1HD ARG 54 10.579 7.668 6.937 407 HE ARG 54 HE ARG 54 8.858 9.221 8.213 408 HH11 ARG 54 1HH1 ARG 54 11.380 7.092 9.458 409 HH12 ARG 54 2HH1 ARG 54 11.589 7.935 10.921 410 HH21 ARG 54 1HH2 ARG 54 9.105 10.368 10.123 411 HH22 ARG 54 2HH2 ARG 54 10.263 9.913 11.316 412 H CYS 55 H CYS 55 3.479 7.315 6.675 413 HA CYS 55 HA CYS 55 2.777 5.588 8.839 414 HB2 CYS 55 2HB CYS 55 0.499 6.208 8.258 415 HB3 CYS 55 1HB CYS 55 1.554 7.623 8.292 416 H ASN 56 H ASN 56 3.112 5.123 5.421 417 HA ASN 56 HA ASN 56 1.162 2.978 5.246 418 HB2 ASN 56 2HB ASN 56 1.528 3.052 2.853 419 HB3 ASN 56 1HB ASN 56 1.367 4.691 3.456 420 HD21 ASN 56 1HD2 ASN 56 2.539 3.701 1.039 421 HD22 ASN 56 2HD2 ASN 56 4.184 4.195 0.978 422 H LYS 57 H LYS 57 3.379 2.439 6.882 423 HA LYS 57 HA LYS 57 5.173 0.712 5.410 424 HB2 LYS 57 2HB LYS 57 6.288 0.381 7.603 425 HB3 LYS 57 1HB LYS 57 6.224 2.053 7.069 426 HG2 LYS 57 2HG LYS 57 4.348 2.462 8.608 427 HG3 LYS 57 1HG LYS 57 4.447 0.791 9.158 428 HD2 LYS 57 2HD LYS 57 6.653 2.843 9.381 429 HD3 LYS 57 1HD LYS 57 5.575 2.367 10.689 430 HE2 LYS 57 2HE LYS 57 7.500 0.534 9.244 431 HE3 LYS 57 1HE LYS 57 7.761 1.253 10.822 432 HZ1 LYS 57 3HZ LYS 57 6.983 -1.012 10.990 433 HZ2 LYS 57 1HZ LYS 57 5.570 -0.654 10.161 434 HZ3 LYS 57 2HZ LYS 57 5.870 0.024 11.677 Start of MODEL 9 1 H1 LEU 1 1HT LEU 1 4.650 14.597 1.104 2 H2 LEU 1 2HT LEU 1 5.558 14.906 2.482 3 H3 LEU 1 3HT LEU 1 3.889 15.151 2.520 4 HA LEU 1 HA LEU 1 4.551 13.179 3.650 5 HB2 LEU 1 2HB LEU 1 3.009 12.861 1.122 6 HB3 LEU 1 1HB LEU 1 3.315 11.486 2.160 7 HG LEU 1 HG LEU 1 1.846 13.992 2.981 8 HD11 LEU 1 2HD1 LEU 1 -0.093 12.490 3.018 9 HD12 LEU 1 3HD1 LEU 1 0.940 11.195 2.393 10 HD13 LEU 1 1HD1 LEU 1 0.609 12.610 1.395 11 HD21 LEU 1 1HD2 LEU 1 1.310 12.615 4.990 12 HD22 LEU 1 2HD2 LEU 1 3.014 13.030 4.851 13 HD23 LEU 1 3HD2 LEU 1 2.475 11.415 4.412 14 H LYS 2 H LYS 2 6.129 12.072 3.972 15 HA LYS 2 HA LYS 2 7.481 10.905 1.701 16 HB2 LYS 2 2HB LYS 2 9.460 10.637 3.282 17 HB3 LYS 2 1HB LYS 2 9.058 12.291 2.835 18 HG2 LYS 2 2HG LYS 2 7.805 12.446 4.989 19 HG3 LYS 2 1HG LYS 2 8.492 10.880 5.427 20 HD2 LYS 2 2HD LYS 2 10.741 11.809 5.247 21 HD3 LYS 2 1HD LYS 2 10.072 13.362 4.739 22 HE2 LYS 2 2HE LYS 2 8.841 13.451 6.927 23 HE3 LYS 2 1HE LYS 2 9.720 12.008 7.406 24 HZ1 LYS 2 3HZ LYS 2 11.776 13.201 7.223 25 HZ2 LYS 2 1HZ LYS 2 10.725 14.058 8.228 26 HZ3 LYS 2 2HZ LYS 2 10.993 14.571 6.641 27 H CYS 3 H CYS 3 6.923 8.899 1.366 28 HA CYS 3 HA CYS 3 6.329 7.194 3.666 29 HB2 CYS 3 2HB CYS 3 4.476 7.576 1.295 30 HB3 CYS 3 1HB CYS 3 4.281 6.328 2.529 31 H PHE 4 H PHE 4 6.009 4.805 2.972 32 HA PHE 4 HA PHE 4 8.444 4.154 1.529 33 HB2 PHE 4 2HB PHE 4 6.476 2.328 2.923 34 HB3 PHE 4 1HB PHE 4 8.034 1.851 2.273 35 HD1 PHE 4 1HD PHE 4 10.093 2.698 3.326 36 HD2 PHE 4 2HD PHE 4 6.264 3.295 5.036 37 HE1 PHE 4 1HE PHE 4 11.147 3.176 5.508 38 HE2 PHE 4 2HE PHE 4 7.290 3.778 7.208 39 HZ PHE 4 HZ PHE 4 9.735 3.718 7.453 40 H GLN 5 H GLN 5 7.549 4.924 -0.456 41 HA GLN 5 HA GLN 5 5.441 3.364 -1.659 42 HB2 GLN 5 2HB GLN 5 5.482 5.737 -2.028 43 HB3 GLN 5 1HB GLN 5 7.091 5.624 -2.711 44 HG2 GLN 5 2HG GLN 5 6.354 4.721 -4.669 45 HG3 GLN 5 1HG GLN 5 4.823 4.165 -4.020 46 HE21 GLN 5 1HE2 GLN 5 6.157 7.329 -3.404 47 HE22 GLN 5 2HE2 GLN 5 5.012 8.206 -4.321 48 H HIS 6 H HIS 6 8.892 3.632 -1.969 49 HA HIS 6 HA HIS 6 8.794 1.517 -4.022 50 HB2 HIS 6 2HB HIS 6 10.029 3.695 -4.490 51 HB3 HIS 6 1HB HIS 6 11.166 3.252 -3.232 52 HD1 HIS 6 1HD HIS 6 10.178 2.434 -6.751 53 HD2 HIS 6 2HD HIS 6 13.024 1.297 -3.950 54 HE1 HIS 6 1HE HIS 6 11.877 1.044 -8.009 55 H GLY 7 H GLY 7 8.656 1.624 -0.945 56 HA2 GLY 7 2HA GLY 7 9.111 -0.209 0.532 57 HA3 GLY 7 1HA GLY 7 10.587 -0.535 -0.386 58 H LYS 8 H LYS 8 11.472 1.956 -0.682 59 HA LYS 8 HA LYS 8 12.441 2.741 1.943 60 HB2 LYS 8 2HB LYS 8 13.984 4.172 0.685 61 HB3 LYS 8 1HB LYS 8 14.036 2.532 0.057 62 HG2 LYS 8 2HG LYS 8 12.609 3.174 -1.796 63 HG3 LYS 8 1HG LYS 8 12.495 4.817 -1.166 64 HD2 LYS 8 2HD LYS 8 14.950 5.030 -1.443 65 HD3 LYS 8 1HD LYS 8 14.974 3.421 -2.174 66 HE2 LYS 8 2HE LYS 8 13.410 4.210 -3.901 67 HE3 LYS 8 1HE LYS 8 13.459 5.818 -3.189 68 HZ1 LYS 8 3HZ LYS 8 15.861 5.872 -3.682 69 HZ2 LYS 8 1HZ LYS 8 14.888 5.687 -5.057 70 HZ3 LYS 8 2HZ LYS 8 15.710 4.357 -4.434 71 H VAL 9 H VAL 9 12.421 5.062 2.451 72 HA VAL 9 HA VAL 9 9.860 6.257 2.144 73 HB VAL 9 HB VAL 9 12.445 7.435 3.206 74 HG11 VAL 9 1HG1 VAL 9 10.825 9.142 2.670 75 HG12 VAL 9 2HG1 VAL 9 11.012 8.997 4.420 76 HG13 VAL 9 3HG1 VAL 9 9.596 8.309 3.621 77 HG21 VAL 9 3HG2 VAL 9 11.851 5.439 4.437 78 HG22 VAL 9 1HG2 VAL 9 10.212 6.048 4.669 79 HG23 VAL 9 2HG2 VAL 9 11.572 6.876 5.422 80 H VAL 10 H VAL 10 9.224 7.474 0.456 81 HA VAL 10 HA VAL 10 11.274 8.924 -1.063 82 HB VAL 10 HB VAL 10 9.973 8.719 -3.086 83 HG11 VAL 10 1HG1 VAL 10 10.225 6.030 -1.779 84 HG12 VAL 10 2HG1 VAL 10 11.455 6.867 -2.742 85 HG13 VAL 10 3HG1 VAL 10 9.951 6.310 -3.495 86 HG21 VAL 10 3HG2 VAL 10 7.930 7.199 -1.487 87 HG22 VAL 10 1HG2 VAL 10 7.913 7.448 -3.234 88 HG23 VAL 10 2HG2 VAL 10 7.746 8.827 -2.144 89 H THR 11 H THR 11 10.618 10.989 -1.848 90 HA THR 11 HA THR 11 8.742 12.285 -0.074 91 HB THR 11 HB THR 11 10.490 13.509 -2.232 92 HG1 THR 11 1HG THR 11 10.994 12.737 0.439 93 HG21 THR 11 3HG2 THR 11 10.213 15.561 -0.891 94 HG22 THR 11 1HG2 THR 11 9.191 14.679 0.246 95 HG23 THR 11 2HG2 THR 11 8.650 14.934 -1.412 96 H CYS 12 H CYS 12 6.708 11.967 -0.755 97 HA CYS 12 HA CYS 12 5.924 11.926 -3.542 98 HB2 CYS 12 2HB CYS 12 4.288 11.808 -0.992 99 HB3 CYS 12 1HB CYS 12 3.759 11.339 -2.613 100 H HIS 13 H HIS 13 4.745 13.529 -4.564 101 HA HIS 13 HA HIS 13 5.315 16.195 -3.736 102 HB2 HIS 13 2HB HIS 13 5.106 15.263 -6.122 103 HB3 HIS 13 1HB HIS 13 3.368 15.384 -5.907 104 HD1 HIS 13 1HD HIS 13 2.557 17.446 -7.157 105 HD2 HIS 13 2HD HIS 13 6.278 18.020 -5.369 106 HE1 HIS 13 1HE HIS 13 3.234 19.769 -7.716 107 H ARG 14 H ARG 14 3.365 17.893 -3.780 108 HA ARG 14 HA ARG 14 1.737 16.989 -1.612 109 HB2 ARG 14 2HB ARG 14 1.835 19.724 -2.876 110 HB3 ARG 14 1HB ARG 14 0.810 19.308 -1.520 111 HG2 ARG 14 2HG ARG 14 2.850 18.679 -0.240 112 HG3 ARG 14 1HG ARG 14 3.816 19.293 -1.583 113 HD2 ARG 14 2HD ARG 14 1.837 20.873 0.058 114 HD3 ARG 14 1HD ARG 14 3.592 20.973 0.177 115 HE ARG 14 HE ARG 14 2.947 21.477 -2.446 116 HH11 ARG 14 1HH1 ARG 14 2.257 23.002 0.674 117 HH12 ARG 14 2HH1 ARG 14 2.142 24.577 0.038 118 HH21 ARG 14 1HH2 ARG 14 2.775 23.649 -3.327 119 HH22 ARG 14 2HH2 ARG 14 2.449 24.940 -2.276 120 H ASP 15 H ASP 15 1.292 16.734 -4.847 121 HA ASP 15 HA ASP 15 -1.559 16.952 -4.953 122 HB2 ASP 15 2HB ASP 15 0.233 15.047 -6.511 123 HB3 ASP 15 1HB ASP 15 -1.443 15.402 -6.882 124 H MET 16 H MET 16 0.775 14.679 -3.901 125 HA MET 16 HA MET 16 -1.090 12.583 -3.370 126 HB2 MET 16 2HB MET 16 1.893 12.873 -2.912 127 HB3 MET 16 1HB MET 16 1.046 11.484 -2.322 128 HG2 MET 16 2HG MET 16 1.976 10.876 -4.319 129 HG3 MET 16 1HG MET 16 0.252 11.098 -4.603 130 HE1 MET 16 3HE MET 16 0.393 11.258 -7.070 131 HE2 MET 16 1HE MET 16 2.094 10.818 -6.907 132 HE3 MET 16 2HE MET 16 1.627 12.145 -7.995 133 H LYS 17 H LYS 17 -2.449 13.052 -1.909 134 HA LYS 17 HA LYS 17 -1.578 14.404 0.520 135 HB2 LYS 17 2HB LYS 17 -4.380 13.887 -0.506 136 HB3 LYS 17 1HB LYS 17 -3.936 14.906 0.856 137 HG2 LYS 17 2HG LYS 17 -2.728 16.410 -0.676 138 HG3 LYS 17 1HG LYS 17 -3.207 15.389 -2.026 139 HD2 LYS 17 2HD LYS 17 -5.579 15.872 -1.497 140 HD3 LYS 17 1HD LYS 17 -5.041 16.966 -0.220 141 HE2 LYS 17 2HE LYS 17 -3.845 18.316 -1.886 142 HE3 LYS 17 1HE LYS 17 -4.390 17.228 -3.157 143 HZ1 LYS 17 3HZ LYS 17 -5.770 19.179 -3.101 144 HZ2 LYS 17 1HZ LYS 17 -6.120 18.964 -1.469 145 HZ3 LYS 17 2HZ LYS 17 -6.691 17.867 -2.603 146 H PHE 18 H PHE 18 -2.106 11.361 -0.705 147 HA PHE 18 HA PHE 18 -2.605 10.263 1.964 148 HB2 PHE 18 2HB PHE 18 -3.893 9.311 -0.605 149 HB3 PHE 18 1HB PHE 18 -3.998 8.504 0.947 150 HD1 PHE 18 1HD PHE 18 -5.103 11.372 -1.046 151 HD2 PHE 18 2HD PHE 18 -5.506 9.314 2.663 152 HE1 PHE 18 1HE PHE 18 -7.122 12.640 -0.580 153 HE2 PHE 18 2HE PHE 18 -7.545 10.586 3.143 154 HZ PHE 18 HZ PHE 18 -8.369 12.254 1.530 155 H CYS 19 H CYS 19 -1.230 8.660 2.428 156 HA CYS 19 HA CYS 19 0.306 7.463 0.260 157 HB2 CYS 19 2HB CYS 19 0.671 7.275 3.278 158 HB3 CYS 19 1HB CYS 19 1.732 6.576 2.054 159 H TYR 20 H TYR 20 -0.023 5.253 -0.130 160 HA TYR 20 HA TYR 20 -2.183 4.129 1.483 161 HB2 TYR 20 2HB TYR 20 -3.169 3.058 -0.470 162 HB3 TYR 20 1HB TYR 20 -3.091 4.794 -0.710 163 HD1 TYR 20 1HD TYR 20 -1.801 1.527 -1.809 164 HD2 TYR 20 2HD TYR 20 -1.651 5.726 -2.437 165 HE1 TYR 20 1HE TYR 20 -0.686 1.146 -3.942 166 HE2 TYR 20 2HE TYR 20 -0.527 5.360 -4.596 167 HH TYR 20 HH TYR 20 -0.391 2.354 -6.071 168 H HIS 21 H HIS 21 -2.156 2.083 1.915 169 HA HIS 21 HA HIS 21 0.140 0.497 1.059 170 HB2 HIS 21 2HB HIS 21 0.352 0.913 3.448 171 HB3 HIS 21 1HB HIS 21 -1.338 0.535 3.716 172 HD1 HIS 21 1HD HIS 21 -0.599 -1.250 5.510 173 HD2 HIS 21 2HD HIS 21 0.741 -2.046 1.656 174 HE1 HIS 21 1HE HIS 21 0.119 -3.662 5.497 175 H ASN 22 H ASN 22 -0.737 -0.597 -0.595 176 HA ASN 22 HA ASN 22 -3.309 -1.885 -0.117 177 HB2 ASN 22 2HB ASN 22 -3.145 -0.535 -2.205 178 HB3 ASN 22 1HB ASN 22 -1.807 -1.537 -2.737 179 HD21 ASN 22 1HD2 ASN 22 -2.268 -3.729 -3.326 180 HD22 ASN 22 2HD2 ASN 22 -3.879 -4.233 -3.699 181 H THR 23 H THR 23 -2.893 -3.652 0.895 182 HA THR 23 HA THR 23 -0.705 -5.324 -0.039 183 HB THR 23 HB THR 23 -0.645 -4.817 2.353 184 HG1 THR 23 1HG THR 23 -0.678 -6.960 3.197 185 HG21 THR 23 3HG2 THR 23 -2.998 -4.335 2.754 186 HG22 THR 23 1HG2 THR 23 -2.437 -5.559 3.893 187 HG23 THR 23 2HG2 THR 23 -3.411 -6.030 2.498 188 H GLY 24 H GLY 24 -1.794 -7.701 0.881 189 HA2 GLY 24 2HA GLY 24 -4.354 -8.069 -0.446 190 HA3 GLY 24 1HA GLY 24 -2.976 -8.940 -1.128 191 H MET 25 H MET 25 -2.315 -10.707 -0.237 192 HA MET 25 HA MET 25 -3.293 -11.426 2.420 193 HB2 MET 25 2HB MET 25 -3.099 -13.184 -0.051 194 HB3 MET 25 1HB MET 25 -3.453 -13.773 1.563 195 HG2 MET 25 2HG MET 25 -5.516 -12.435 1.578 196 HG3 MET 25 1HG MET 25 -5.148 -11.879 -0.048 197 HE1 MET 25 3HE MET 25 -7.907 -13.213 0.823 198 HE2 MET 25 1HE MET 25 -8.214 -14.268 -0.555 199 HE3 MET 25 2HE MET 25 -7.576 -12.645 -0.814 200 HA PRO 26 HA PRO 26 1.053 -12.289 2.973 201 HB2 PRO 26 2HB PRO 26 1.016 -14.522 4.554 202 HB3 PRO 26 1HB PRO 26 0.688 -12.900 5.177 203 HG2 PRO 26 2HG PRO 26 -1.239 -15.048 4.379 204 HG3 PRO 26 1HG PRO 26 -1.290 -13.980 5.795 205 HD2 PRO 26 2HD PRO 26 -2.803 -13.527 3.616 206 HD3 PRO 26 1HD PRO 26 -2.112 -12.196 4.566 207 H PHE 27 H PHE 27 1.874 -12.898 1.099 208 HA PHE 27 HA PHE 27 1.181 -15.472 0.003 209 HB2 PHE 27 2HB PHE 27 2.820 -13.233 -1.169 210 HB3 PHE 27 1HB PHE 27 2.392 -14.719 -2.020 211 HD1 PHE 27 2HD PHE 27 -0.420 -15.077 -1.423 212 HD2 PHE 27 1HD PHE 27 1.729 -11.484 -2.165 213 HE1 PHE 27 2HE PHE 27 -2.489 -13.998 -2.179 214 HE2 PHE 27 1HE PHE 27 -0.348 -10.397 -2.920 215 HZ PHE 27 HZ PHE 27 -2.457 -11.655 -2.931 216 H ARG 28 H ARG 28 2.629 -17.019 -0.464 217 HA ARG 28 HA ARG 28 4.754 -17.225 1.459 218 HB2 ARG 28 2HB ARG 28 4.007 -19.170 -0.726 219 HB3 ARG 28 1HB ARG 28 4.927 -19.510 0.733 220 HG2 ARG 28 2HG ARG 28 1.994 -18.820 0.563 221 HG3 ARG 28 1HG ARG 28 2.694 -20.382 0.979 222 HD2 ARG 28 2HD ARG 28 3.644 -19.430 3.007 223 HD3 ARG 28 1HD ARG 28 3.034 -17.840 2.553 224 HE ARG 28 HE ARG 28 1.094 -19.971 2.819 225 HH11 ARG 28 1HH1 ARG 28 2.578 -17.078 4.262 226 HH12 ARG 28 2HH1 ARG 28 1.372 -16.886 5.434 227 HH21 ARG 28 1HH2 ARG 28 -0.592 -19.631 4.422 228 HH22 ARG 28 2HH2 ARG 28 -0.482 -18.337 5.511 229 H ASN 29 H ASN 29 6.700 -16.493 1.097 230 HA ASN 29 HA ASN 29 8.648 -15.897 0.156 231 HB2 ASN 29 2HB ASN 29 7.763 -17.824 -1.990 232 HB3 ASN 29 1HB ASN 29 9.318 -16.995 -2.059 233 HD21 ASN 29 1HD2 ASN 29 8.744 -19.844 -1.871 234 HD22 ASN 29 2HD2 ASN 29 9.508 -20.387 -0.429 235 H LEU 30 H LEU 30 6.065 -14.540 -0.482 236 HA LEU 30 HA LEU 30 7.168 -12.735 -2.467 237 HB2 LEU 30 2HB LEU 30 5.783 -14.188 -3.809 238 HB3 LEU 30 1HB LEU 30 4.456 -14.041 -2.676 239 HG LEU 30 HG LEU 30 4.332 -11.609 -3.237 240 HD11 LEU 30 1HD1 LEU 30 5.358 -10.818 -5.277 241 HD12 LEU 30 2HD1 LEU 30 6.242 -12.337 -5.435 242 HD13 LEU 30 3HD1 LEU 30 6.561 -11.263 -4.069 243 HD21 LEU 30 3HD2 LEU 30 3.171 -11.912 -5.332 244 HD22 LEU 30 1HD2 LEU 30 2.801 -13.229 -4.227 245 HD23 LEU 30 2HD2 LEU 30 3.933 -13.491 -5.562 246 H LYS 31 H LYS 31 6.839 -10.698 -1.815 247 HA LYS 31 HA LYS 31 4.639 -10.248 0.040 248 HB2 LYS 31 2HB LYS 31 7.341 -8.916 -0.071 249 HB3 LYS 31 1HB LYS 31 5.981 -8.226 0.799 250 HG2 LYS 31 2HG LYS 31 5.876 -10.212 2.216 251 HG3 LYS 31 1HG LYS 31 7.237 -10.910 1.340 252 HD2 LYS 31 2HD LYS 31 8.683 -9.129 2.084 253 HD3 LYS 31 1HD LYS 31 7.323 -8.291 2.831 254 HE2 LYS 31 2HE LYS 31 8.368 -11.007 3.637 255 HE3 LYS 31 1HE LYS 31 8.690 -9.496 4.485 256 HZ1 LYS 31 3HZ LYS 31 6.274 -9.287 4.852 257 HZ2 LYS 31 1HZ LYS 31 6.919 -10.653 5.579 258 HZ3 LYS 31 2HZ LYS 31 6.033 -10.807 4.163 259 H LEU 32 H LEU 32 3.048 -9.468 -1.108 260 HA LEU 32 HA LEU 32 3.609 -7.764 -3.348 261 HB2 LEU 32 2HB LEU 32 1.745 -9.323 -3.495 262 HB3 LEU 32 1HB LEU 32 0.986 -8.597 -2.090 263 HG LEU 32 HG LEU 32 0.705 -6.489 -3.377 264 HD11 LEU 32 1HD1 LEU 32 2.512 -6.719 -4.958 265 HD12 LEU 32 2HD1 LEU 32 0.982 -6.530 -5.812 266 HD13 LEU 32 3HD1 LEU 32 1.732 -8.121 -5.686 267 HD21 LEU 32 3HD2 LEU 32 -0.504 -8.936 -4.661 268 HD22 LEU 32 1HD2 LEU 32 -1.112 -7.288 -4.805 269 HD23 LEU 32 2HD2 LEU 32 -1.123 -8.096 -3.238 270 H ILE 33 H ILE 33 4.264 -5.872 -2.915 271 HA ILE 33 HA ILE 33 3.031 -4.368 -0.748 272 HB ILE 33 HB ILE 33 5.892 -4.383 -1.729 273 HG12 ILE 33 2HG1 ILE 33 5.327 -6.013 -0.006 274 HG13 ILE 33 1HG1 ILE 33 6.427 -4.792 0.629 275 HG21 ILE 33 1HG2 ILE 33 5.227 -2.019 -1.520 276 HG22 ILE 33 2HG2 ILE 33 6.438 -2.493 -0.334 277 HG23 ILE 33 3HG2 ILE 33 4.758 -2.322 0.159 278 HD11 ILE 33 3HD1 ILE 33 3.449 -4.957 1.112 279 HD12 ILE 33 1HD1 ILE 33 4.494 -3.649 1.657 280 HD13 ILE 33 2HD1 ILE 33 4.734 -5.284 2.275 281 H LEU 34 H LEU 34 1.454 -3.403 -1.870 282 HA LEU 34 HA LEU 34 2.371 -1.595 -3.957 283 HB2 LEU 34 2HB LEU 34 -0.377 -2.587 -3.289 284 HB3 LEU 34 1HB LEU 34 -0.076 -1.332 -4.493 285 HG LEU 34 HG LEU 34 0.706 -4.231 -4.561 286 HD11 LEU 34 1HD1 LEU 34 -1.637 -3.811 -5.027 287 HD12 LEU 34 2HD1 LEU 34 -0.798 -4.329 -6.488 288 HD13 LEU 34 3HD1 LEU 34 -1.196 -2.625 -6.252 289 HD21 LEU 34 3HD2 LEU 34 2.477 -2.938 -5.601 290 HD22 LEU 34 1HD2 LEU 34 1.288 -2.064 -6.572 291 HD23 LEU 34 2HD2 LEU 34 1.543 -3.788 -6.832 292 H GLN 35 H GLN 35 3.313 -0.748 -1.920 293 HA GLN 35 HA GLN 35 1.448 1.062 -0.596 294 HB2 GLN 35 2HB GLN 35 4.377 0.557 -0.088 295 HB3 GLN 35 1HB GLN 35 3.339 1.592 0.877 296 HG2 GLN 35 2HG GLN 35 2.006 -0.357 1.479 297 HG3 GLN 35 1HG GLN 35 3.102 -1.392 0.575 298 HE21 GLN 35 1HE2 GLN 35 5.406 0.364 1.473 299 HE22 GLN 35 2HE2 GLN 35 5.642 -0.073 3.124 300 H GLY 36 H GLY 36 1.244 3.010 -1.435 301 HA2 GLY 36 2HA GLY 36 3.590 4.239 -2.588 302 HA3 GLY 36 1HA GLY 36 2.200 4.045 -3.663 303 H CYS 37 H CYS 37 2.436 6.368 -3.781 304 HA CYS 37 HA CYS 37 0.831 7.555 -1.659 305 HB2 CYS 37 2HB CYS 37 2.919 9.020 -3.346 306 HB3 CYS 37 1HB CYS 37 1.829 9.724 -2.182 307 H SER 38 H SER 38 -0.912 8.687 -2.305 308 HA SER 38 HA SER 38 -1.453 8.740 -5.168 309 HB2 SER 38 2HB SER 38 -2.457 6.690 -4.260 310 HB3 SER 38 1HB SER 38 -3.267 7.624 -3.008 311 HG SER 38 HG SER 38 -4.775 7.961 -4.324 312 H SER 39 H SER 39 -3.118 10.243 -5.696 313 HA SER 39 HA SER 39 -3.094 12.552 -3.993 314 HB2 SER 39 2HB SER 39 -2.800 12.759 -6.427 315 HB3 SER 39 1HB SER 39 -4.390 12.080 -6.708 316 HG SER 39 HG SER 39 -3.796 14.427 -5.244 317 H SER 40 H SER 40 -5.485 10.202 -5.190 318 HA SER 40 HA SER 40 -7.377 11.215 -3.208 319 HB2 SER 40 2HB SER 40 -8.998 9.823 -4.513 320 HB3 SER 40 1HB SER 40 -8.230 11.095 -5.468 321 HG SER 40 HG SER 40 -7.853 9.519 -6.743 322 H CYS 41 H CYS 41 -8.778 9.194 -2.393 323 HA CYS 41 HA CYS 41 -6.898 7.063 -1.704 324 HB2 CYS 41 2HB CYS 41 -7.336 8.275 0.299 325 HB3 CYS 41 1HB CYS 41 -9.063 8.339 -0.041 326 H SER 42 H SER 42 -7.462 5.120 -2.467 327 HA SER 42 HA SER 42 -10.146 4.605 -3.314 328 HB2 SER 42 2HB SER 42 -7.834 2.665 -2.977 329 HB3 SER 42 1HB SER 42 -9.296 2.419 -3.938 330 HG SER 42 HG SER 42 -8.481 4.501 -4.975 331 H GLU 43 H GLU 43 -11.266 4.917 -1.455 332 HA GLU 43 HA GLU 43 -10.443 3.939 1.041 333 HB2 GLU 43 2HB GLU 43 -12.683 4.746 1.845 334 HB3 GLU 43 1HB GLU 43 -11.654 5.938 1.066 335 HG2 GLU 43 2HG GLU 43 -12.923 5.582 -1.010 336 HG3 GLU 43 1HG GLU 43 -13.989 4.520 -0.082 337 H THR 44 H THR 44 -10.263 2.056 1.370 338 HA THR 44 HA THR 44 -12.458 0.196 1.418 339 HB THR 44 HB THR 44 -10.855 -1.552 0.388 340 HG1 THR 44 1HG THR 44 -9.641 0.872 -0.407 341 HG21 THR 44 3HG2 THR 44 -11.537 -1.068 -1.926 342 HG22 THR 44 1HG2 THR 44 -11.972 0.574 -1.451 343 HG23 THR 44 2HG2 THR 44 -12.873 -0.793 -0.807 344 H GLU 45 H GLU 45 -11.391 -1.938 2.477 345 HA GLU 45 HA GLU 45 -10.020 -0.908 4.814 346 HB2 GLU 45 2HB GLU 45 -12.007 -2.322 5.063 347 HB3 GLU 45 1HB GLU 45 -11.185 -3.624 4.227 348 HG2 GLU 45 2HG GLU 45 -9.569 -3.783 6.032 349 HG3 GLU 45 1HG GLU 45 -10.354 -2.437 6.859 350 H ASN 46 H ASN 46 -9.449 -3.030 2.119 351 HA ASN 46 HA ASN 46 -7.006 -4.045 3.227 352 HB2 ASN 46 2HB ASN 46 -8.272 -5.517 1.819 353 HB3 ASN 46 1HB ASN 46 -8.251 -4.373 0.494 354 HD21 ASN 46 1HD2 ASN 46 -6.434 -4.239 -0.795 355 HD22 ASN 46 2HD2 ASN 46 -5.135 -5.369 -0.680 356 H ASN 47 H ASN 47 -7.847 -1.565 0.846 357 HA ASN 47 HA ASN 47 -5.048 -0.856 0.646 358 HB2 ASN 47 2HB ASN 47 -6.231 -0.838 -1.443 359 HB3 ASN 47 1HB ASN 47 -7.523 0.163 -0.784 360 HD21 ASN 47 1HD2 ASN 47 -7.179 2.343 -0.581 361 HD22 ASN 47 2HD2 ASN 47 -5.838 3.157 -1.308 362 H LYS 48 H LYS 48 -4.451 0.065 2.346 363 HA LYS 48 HA LYS 48 -6.211 1.740 3.960 364 HB2 LYS 48 2HB LYS 48 -3.382 0.809 4.436 365 HB3 LYS 48 1HB LYS 48 -4.410 1.632 5.603 366 HG2 LYS 48 2HG LYS 48 -5.913 -0.252 5.663 367 HG3 LYS 48 1HG LYS 48 -5.013 -1.053 4.379 368 HD2 LYS 48 2HD LYS 48 -4.418 -2.012 6.525 369 HD3 LYS 48 1HD LYS 48 -3.038 -1.156 5.846 370 HE2 LYS 48 2HE LYS 48 -3.185 -0.675 8.208 371 HE3 LYS 48 1HE LYS 48 -3.581 0.781 7.309 372 HZ1 LYS 48 3HZ LYS 48 -5.542 -1.073 8.544 373 HZ2 LYS 48 1HZ LYS 48 -5.923 0.345 7.722 374 HZ3 LYS 48 2HZ LYS 48 -5.074 0.407 9.171 375 H CYS 49 H CYS 49 -6.278 3.876 3.427 376 HA CYS 49 HA CYS 49 -3.774 5.074 2.512 377 HB2 CYS 49 2HB CYS 49 -5.099 6.923 1.649 378 HB3 CYS 49 1HB CYS 49 -5.712 5.402 1.014 379 H CYS 50 H CYS 50 -2.803 6.605 3.655 380 HA CYS 50 HA CYS 50 -4.150 7.685 5.985 381 HB2 CYS 50 2HB CYS 50 -1.939 7.228 7.213 382 HB3 CYS 50 1HB CYS 50 -3.029 5.868 6.951 383 H SER 51 H SER 51 -3.086 9.655 6.795 384 HA SER 51 HA SER 51 -1.740 11.038 4.599 385 HB2 SER 51 2HB SER 51 -2.790 13.051 5.789 386 HB3 SER 51 1HB SER 51 -3.867 11.948 4.921 387 HG SER 51 HG SER 51 -3.991 12.645 7.440 388 H THR 52 H THR 52 -0.403 9.496 6.816 389 HA THR 52 HA THR 52 0.980 11.751 8.099 390 HB THR 52 HB THR 52 1.061 8.973 9.174 391 HG1 THR 52 1HG THR 52 -0.980 10.942 9.699 392 HG21 THR 52 3HG2 THR 52 1.305 10.169 11.324 393 HG22 THR 52 1HG2 THR 52 1.123 11.705 10.476 394 HG23 THR 52 2HG2 THR 52 2.520 10.679 10.151 395 H ASP 53 H ASP 53 3.238 11.549 8.212 396 HA ASP 53 HA ASP 53 4.389 10.408 5.896 397 HB2 ASP 53 2HB ASP 53 5.716 11.643 8.311 398 HB3 ASP 53 1HB ASP 53 6.580 11.142 6.862 399 H ARG 54 H ARG 54 5.201 8.560 5.517 400 HA ARG 54 HA ARG 54 5.929 6.426 5.659 401 HB2 ARG 54 2HB ARG 54 6.884 7.278 8.391 402 HB3 ARG 54 1HB ARG 54 7.330 5.775 7.606 403 HG2 ARG 54 2HG ARG 54 8.414 7.062 5.814 404 HG3 ARG 54 1HG ARG 54 7.979 8.556 6.651 405 HD2 ARG 54 2HD ARG 54 9.741 6.353 7.709 406 HD3 ARG 54 1HD ARG 54 10.267 7.948 7.170 407 HE ARG 54 HE ARG 54 8.539 8.610 9.056 408 HH11 ARG 54 1HH1 ARG 54 11.217 6.318 9.123 409 HH12 ARG 54 2HH1 ARG 54 11.371 6.326 10.816 410 HH21 ARG 54 1HH2 ARG 54 8.767 8.688 11.322 411 HH22 ARG 54 2HH2 ARG 54 9.961 7.745 12.108 412 H CYS 55 H CYS 55 3.183 7.152 6.656 413 HA CYS 55 HA CYS 55 2.573 5.365 8.782 414 HB2 CYS 55 2HB CYS 55 0.238 5.757 8.114 415 HB3 CYS 55 1HB CYS 55 1.160 7.251 8.268 416 H ASN 56 H ASN 56 3.122 4.873 5.448 417 HA ASN 56 HA ASN 56 1.601 2.439 5.449 418 HB2 ASN 56 2HB ASN 56 2.055 2.284 3.036 419 HB3 ASN 56 1HB ASN 56 1.397 3.855 3.449 420 HD21 ASN 56 1HD2 ASN 56 2.681 3.294 1.108 421 HD22 ASN 56 2HD2 ASN 56 4.177 4.153 1.006 422 H LYS 57 H LYS 57 2.929 1.649 7.131 423 HA LYS 57 HA LYS 57 5.197 0.194 6.055 424 HB2 LYS 57 2HB LYS 57 6.443 0.561 8.191 425 HB3 LYS 57 1HB LYS 57 6.168 2.011 7.231 426 HG2 LYS 57 2HG LYS 57 4.401 2.710 8.709 427 HG3 LYS 57 1HG LYS 57 4.568 1.238 9.659 428 HD2 LYS 57 2HD LYS 57 6.895 1.900 10.194 429 HD3 LYS 57 1HD LYS 57 6.643 3.404 9.307 430 HE2 LYS 57 2HE LYS 57 6.343 3.797 11.673 431 HE3 LYS 57 1HE LYS 57 4.798 3.966 10.841 432 HZ1 LYS 57 3HZ LYS 57 4.194 1.741 11.581 433 HZ2 LYS 57 1HZ LYS 57 4.597 2.698 12.904 434 HZ3 LYS 57 2HZ LYS 57 5.692 1.570 12.342 Start of MODEL 10 1 H1 LEU 1 1HT LEU 1 5.306 15.180 1.638 2 H2 LEU 1 2HT LEU 1 3.625 15.162 1.840 3 H3 LEU 1 3HT LEU 1 4.345 14.369 0.537 4 HA LEU 1 HA LEU 1 4.750 13.645 3.348 5 HB2 LEU 1 2HB LEU 1 3.043 12.447 1.201 6 HB3 LEU 1 1HB LEU 1 3.608 11.522 2.569 7 HG LEU 1 HG LEU 1 1.779 13.914 2.668 8 HD11 LEU 1 2HD1 LEU 1 1.387 10.978 3.197 9 HD12 LEU 1 3HD1 LEU 1 0.761 11.870 1.814 10 HD13 LEU 1 1HD1 LEU 1 0.159 12.228 3.436 11 HD21 LEU 1 1HD2 LEU 1 1.613 13.327 5.078 12 HD22 LEU 1 2HD2 LEU 1 3.219 13.885 4.609 13 HD23 LEU 1 3HD2 LEU 1 2.925 12.165 4.838 14 H LYS 2 H LYS 2 6.228 12.181 3.701 15 HA LYS 2 HA LYS 2 7.455 10.990 1.386 16 HB2 LYS 2 2HB LYS 2 9.452 10.577 2.879 17 HB3 LYS 2 1HB LYS 2 9.097 12.274 2.608 18 HG2 LYS 2 2HG LYS 2 7.993 12.370 4.811 19 HG3 LYS 2 1HG LYS 2 8.422 10.682 5.082 20 HD2 LYS 2 2HD LYS 2 10.013 12.082 6.233 21 HD3 LYS 2 1HD LYS 2 10.815 11.329 4.856 22 HE2 LYS 2 2HE LYS 2 10.532 13.390 3.562 23 HE3 LYS 2 1HE LYS 2 9.701 14.126 4.921 24 HZ1 LYS 2 3HZ LYS 2 11.719 13.995 6.217 25 HZ2 LYS 2 1HZ LYS 2 12.009 14.799 4.773 26 HZ3 LYS 2 2HZ LYS 2 12.526 13.203 4.965 27 H CYS 3 H CYS 3 6.815 8.934 1.056 28 HA CYS 3 HA CYS 3 6.053 7.375 3.429 29 HB2 CYS 3 2HB CYS 3 4.505 7.149 0.829 30 HB3 CYS 3 1HB CYS 3 4.051 6.584 2.443 31 H PHE 4 H PHE 4 5.970 4.980 2.888 32 HA PHE 4 HA PHE 4 8.466 4.364 1.568 33 HB2 PHE 4 2HB PHE 4 6.511 2.538 2.984 34 HB3 PHE 4 1HB PHE 4 8.093 2.066 2.394 35 HD1 PHE 4 1HD PHE 4 10.113 2.847 3.527 36 HD2 PHE 4 2HD PHE 4 6.238 3.773 5.020 37 HE1 PHE 4 1HE PHE 4 11.088 3.443 5.687 38 HE2 PHE 4 2HE PHE 4 7.207 4.379 7.178 39 HZ PHE 4 HZ PHE 4 9.637 4.216 7.531 40 H GLN 5 H GLN 5 7.622 4.947 -0.621 41 HA GLN 5 HA GLN 5 5.628 3.202 -1.786 42 HB2 GLN 5 2HB GLN 5 5.853 5.456 -2.694 43 HB3 GLN 5 1HB GLN 5 7.526 5.127 -3.128 44 HG2 GLN 5 2HG GLN 5 6.786 3.435 -4.733 45 HG3 GLN 5 1HG GLN 5 5.112 3.765 -4.315 46 HE21 GLN 5 1HE2 GLN 5 7.548 6.263 -4.625 47 HE22 GLN 5 2HE2 GLN 5 6.899 6.972 -6.043 48 H HIS 6 H HIS 6 9.111 3.420 -1.954 49 HA HIS 6 HA HIS 6 9.303 1.077 -3.708 50 HB2 HIS 6 2HB HIS 6 10.791 3.159 -3.881 51 HB3 HIS 6 1HB HIS 6 11.517 2.669 -2.365 52 HD1 HIS 6 1HD HIS 6 12.791 0.130 -2.557 53 HD2 HIS 6 2HD HIS 6 12.001 2.220 -6.068 54 HE1 HIS 6 1HE HIS 6 14.334 -0.812 -4.287 55 H GLY 7 H GLY 7 8.710 1.594 -0.597 56 HA2 GLY 7 2HA GLY 7 8.843 0.069 1.222 57 HA3 GLY 7 1HA GLY 7 10.217 -0.715 0.424 58 H LYS 8 H LYS 8 10.986 2.076 -0.280 59 HA LYS 8 HA LYS 8 12.504 2.761 2.117 60 HB2 LYS 8 2HB LYS 8 12.875 3.613 -0.763 61 HB3 LYS 8 1HB LYS 8 13.937 4.013 0.575 62 HG2 LYS 8 2HG LYS 8 14.580 1.694 0.803 63 HG3 LYS 8 1HG LYS 8 13.433 1.235 -0.460 64 HD2 LYS 8 2HD LYS 8 14.650 2.591 -2.074 65 HD3 LYS 8 1HD LYS 8 15.788 3.086 -0.821 66 HE2 LYS 8 2HE LYS 8 16.487 0.753 -0.559 67 HE3 LYS 8 1HE LYS 8 15.343 0.277 -1.814 68 HZ1 LYS 8 3HZ LYS 8 17.559 0.495 -2.693 69 HZ2 LYS 8 1HZ LYS 8 17.654 2.091 -2.182 70 HZ3 LYS 8 2HZ LYS 8 16.566 1.627 -3.395 71 H VAL 9 H VAL 9 12.563 5.011 2.640 72 HA VAL 9 HA VAL 9 10.081 6.384 2.379 73 HB VAL 9 HB VAL 9 12.743 7.472 3.320 74 HG11 VAL 9 1HG1 VAL 9 11.407 9.094 4.572 75 HG12 VAL 9 2HG1 VAL 9 9.941 8.434 3.845 76 HG13 VAL 9 3HG1 VAL 9 11.154 9.218 2.832 77 HG21 VAL 9 3HG2 VAL 9 10.552 6.180 4.929 78 HG22 VAL 9 1HG2 VAL 9 11.984 6.966 5.588 79 HG23 VAL 9 2HG2 VAL 9 12.149 5.506 4.612 80 H VAL 10 H VAL 10 9.499 7.341 0.531 81 HA VAL 10 HA VAL 10 11.507 8.913 -0.893 82 HB VAL 10 HB VAL 10 10.463 8.401 -3.031 83 HG11 VAL 10 1HG1 VAL 10 12.242 6.925 -2.375 84 HG12 VAL 10 2HG1 VAL 10 11.016 6.014 -3.264 85 HG13 VAL 10 3HG1 VAL 10 11.106 5.893 -1.509 86 HG21 VAL 10 3HG2 VAL 10 8.163 8.092 -2.275 87 HG22 VAL 10 1HG2 VAL 10 8.609 6.557 -1.528 88 HG23 VAL 10 2HG2 VAL 10 8.702 6.750 -3.283 89 H THR 11 H THR 11 10.645 10.790 -1.925 90 HA THR 11 HA THR 11 8.550 11.931 -0.328 91 HB THR 11 HB THR 11 10.060 13.211 -2.617 92 HG1 THR 11 1HG THR 11 11.023 12.252 -0.360 93 HG21 THR 11 3HG2 THR 11 9.554 15.278 -1.381 94 HG22 THR 11 1HG2 THR 11 8.684 14.343 -0.168 95 HG23 THR 11 2HG2 THR 11 8.071 14.428 -1.819 96 H CYS 12 H CYS 12 6.508 12.036 -0.918 97 HA CYS 12 HA CYS 12 5.545 11.095 -3.475 98 HB2 CYS 12 2HB CYS 12 4.050 12.350 -1.190 99 HB3 CYS 12 1HB CYS 12 3.419 11.276 -2.436 100 H HIS 13 H HIS 13 4.247 12.450 -4.861 101 HA HIS 13 HA HIS 13 5.351 15.039 -5.191 102 HB2 HIS 13 2HB HIS 13 4.328 13.479 -7.011 103 HB3 HIS 13 1HB HIS 13 2.783 14.142 -6.509 104 HD1 HIS 13 1HD HIS 13 2.056 16.228 -7.900 105 HD2 HIS 13 2HD HIS 13 6.196 15.628 -7.822 106 HE1 HIS 13 1HE HIS 13 3.036 17.985 -9.334 107 H ARG 14 H ARG 14 4.071 16.994 -5.281 108 HA ARG 14 HA ARG 14 2.963 17.600 -2.788 109 HB2 ARG 14 2HB ARG 14 2.550 19.813 -3.731 110 HB3 ARG 14 1HB ARG 14 4.162 19.212 -4.083 111 HG2 ARG 14 2HG ARG 14 3.250 18.490 -6.331 112 HG3 ARG 14 1HG ARG 14 1.824 19.455 -5.934 113 HD2 ARG 14 2HD ARG 14 3.329 20.815 -7.217 114 HD3 ARG 14 1HD ARG 14 3.303 21.371 -5.537 115 HE ARG 14 HE ARG 14 5.368 19.478 -6.036 116 HH11 ARG 14 1HH1 ARG 14 4.578 22.912 -6.140 117 HH12 ARG 14 2HH1 ARG 14 6.199 23.433 -6.196 118 HH21 ARG 14 1HH2 ARG 14 7.568 20.168 -6.080 119 HH22 ARG 14 2HH2 ARG 14 7.960 21.824 -6.150 120 H ASP 15 H ASP 15 1.390 16.240 -5.446 121 HA ASP 15 HA ASP 15 -1.252 17.308 -4.862 122 HB2 ASP 15 2HB ASP 15 -0.492 14.884 -6.505 123 HB3 ASP 15 1HB ASP 15 -2.090 15.594 -6.414 124 H MET 16 H MET 16 0.777 14.800 -3.824 125 HA MET 16 HA MET 16 -1.261 12.986 -3.101 126 HB2 MET 16 2HB MET 16 1.718 12.977 -2.800 127 HB3 MET 16 1HB MET 16 0.784 11.726 -2.016 128 HG2 MET 16 2HG MET 16 1.537 10.940 -4.092 129 HG3 MET 16 1HG MET 16 -0.206 11.137 -4.152 130 HE1 MET 16 3HE MET 16 0.491 11.851 -7.773 131 HE2 MET 16 1HE MET 16 -0.646 11.241 -6.552 132 HE3 MET 16 2HE MET 16 0.988 10.582 -6.626 133 H LYS 17 H LYS 17 -2.291 12.704 -1.386 134 HA LYS 17 HA LYS 17 -1.763 14.482 0.895 135 HB2 LYS 17 2HB LYS 17 -3.834 14.941 -0.440 136 HB3 LYS 17 1HB LYS 17 -4.359 13.315 -0.100 137 HG2 LYS 17 2HG LYS 17 -4.512 13.807 2.266 138 HG3 LYS 17 1HG LYS 17 -3.920 15.445 1.974 139 HD2 LYS 17 2HD LYS 17 -5.858 15.923 0.586 140 HD3 LYS 17 1HD LYS 17 -6.439 14.272 0.798 141 HE2 LYS 17 2HE LYS 17 -6.687 14.647 3.184 142 HE3 LYS 17 1HE LYS 17 -6.050 16.282 3.006 143 HZ1 LYS 17 3HZ LYS 17 -7.937 16.801 1.585 144 HZ2 LYS 17 1HZ LYS 17 -8.448 16.313 3.111 145 HZ3 LYS 17 2HZ LYS 17 -8.576 15.256 1.817 146 H PHE 18 H PHE 18 -2.211 11.208 -0.197 147 HA PHE 18 HA PHE 18 -2.185 10.278 2.590 148 HB2 PHE 18 2HB PHE 18 -3.735 9.050 0.296 149 HB3 PHE 18 1HB PHE 18 -3.630 8.417 1.925 150 HD1 PHE 18 1HD PHE 18 -5.104 10.986 -0.231 151 HD2 PHE 18 2HD PHE 18 -4.954 9.381 3.709 152 HE1 PHE 18 1HE PHE 18 -7.148 12.203 0.329 153 HE2 PHE 18 2HE PHE 18 -7.010 10.613 4.283 154 HZ PHE 18 HZ PHE 18 -8.114 12.019 2.595 155 H CYS 19 H CYS 19 -0.927 8.468 2.903 156 HA CYS 19 HA CYS 19 0.641 7.476 0.643 157 HB2 CYS 19 2HB CYS 19 0.761 6.466 3.496 158 HB3 CYS 19 1HB CYS 19 1.980 6.387 2.230 159 H TYR 20 H TYR 20 0.220 5.272 -0.014 160 HA TYR 20 HA TYR 20 -1.997 4.092 1.465 161 HB2 TYR 20 2HB TYR 20 -3.045 3.210 -0.517 162 HB3 TYR 20 1HB TYR 20 -2.873 4.944 -0.676 163 HD1 TYR 20 2HD TYR 20 -1.712 1.653 -1.932 164 HD2 TYR 20 1HD TYR 20 -1.527 5.873 -2.436 165 HE1 TYR 20 2HE TYR 20 -0.765 1.322 -4.153 166 HE2 TYR 20 1HE TYR 20 -0.581 5.559 -4.679 167 HH TYR 20 HH TYR 20 -0.689 2.673 -6.293 168 H HIS 21 H HIS 21 -2.167 1.929 1.499 169 HA HIS 21 HA HIS 21 0.137 0.389 0.595 170 HB2 HIS 21 2HB HIS 21 0.431 0.712 3.013 171 HB3 HIS 21 1HB HIS 21 -1.221 0.207 3.313 172 HD1 HIS 21 1HD HIS 21 -0.219 -1.641 4.943 173 HD2 HIS 21 2HD HIS 21 0.860 -2.096 0.955 174 HE1 HIS 21 1HE HIS 21 0.696 -3.980 4.726 175 H ASN 22 H ASN 22 -0.735 -0.703 -0.991 176 HA ASN 22 HA ASN 22 -3.371 -1.880 -0.612 177 HB2 ASN 22 2HB ASN 22 -2.971 -0.706 -2.763 178 HB3 ASN 22 1HB ASN 22 -1.604 -1.770 -3.084 179 HD21 ASN 22 1HD2 ASN 22 -5.014 -1.467 -2.993 180 HD22 ASN 22 2HD2 ASN 22 -5.420 -2.993 -3.670 181 H THR 23 H THR 23 -3.575 -4.017 -0.369 182 HA THR 23 HA THR 23 -1.317 -5.740 -0.682 183 HB THR 23 HB THR 23 -0.825 -4.673 1.476 184 HG1 THR 23 1HG THR 23 -0.095 -6.610 1.680 185 HG21 THR 23 3HG2 THR 23 -3.094 -4.014 2.136 186 HG22 THR 23 1HG2 THR 23 -2.314 -4.937 3.422 187 HG23 THR 23 2HG2 THR 23 -3.520 -5.706 2.389 188 H GLY 24 H GLY 24 -2.316 -7.764 0.901 189 HA2 GLY 24 2HA GLY 24 -5.122 -8.185 0.525 190 HA3 GLY 24 1HA GLY 24 -4.131 -9.115 -0.600 191 H MET 25 H MET 25 -2.511 -10.357 0.245 192 HA MET 25 HA MET 25 -2.725 -11.164 3.035 193 HB2 MET 25 2HB MET 25 -2.623 -13.013 0.631 194 HB3 MET 25 1HB MET 25 -2.452 -13.522 2.297 195 HG2 MET 25 2HG MET 25 -4.761 -12.712 2.721 196 HG3 MET 25 1HG MET 25 -4.905 -12.338 1.008 197 HE1 MET 25 3HE MET 25 -4.677 -15.104 3.733 198 HE2 MET 25 1HE MET 25 -3.195 -15.434 2.835 199 HE3 MET 25 2HE MET 25 -4.533 -16.583 2.788 200 HA PRO 26 HA PRO 26 1.719 -11.074 2.430 201 HB2 PRO 26 2HB PRO 26 2.582 -12.775 4.312 202 HB3 PRO 26 1HB PRO 26 1.851 -11.227 4.768 203 HG2 PRO 26 2HG PRO 26 0.589 -13.934 4.609 204 HG3 PRO 26 1HG PRO 26 0.504 -12.759 5.945 205 HD2 PRO 26 2HD PRO 26 -1.464 -13.004 4.126 206 HD3 PRO 26 1HD PRO 26 -0.998 -11.421 4.810 207 H PHE 27 H PHE 27 3.150 -12.217 1.272 208 HA PHE 27 HA PHE 27 2.345 -14.934 0.554 209 HB2 PHE 27 2HB PHE 27 3.476 -12.795 -1.211 210 HB3 PHE 27 1HB PHE 27 3.491 -14.498 -1.682 211 HD1 PHE 27 1HD PHE 27 1.396 -11.565 -1.013 212 HD2 PHE 27 2HD PHE 27 1.466 -15.603 -2.316 213 HE1 PHE 27 1HE PHE 27 -0.887 -11.324 -1.869 214 HE2 PHE 27 2HE PHE 27 -0.826 -15.376 -3.164 215 HZ PHE 27 HZ PHE 27 -2.007 -13.235 -2.949 216 H ARG 28 H ARG 28 3.780 -16.481 0.255 217 HA ARG 28 HA ARG 28 5.988 -16.482 2.004 218 HB2 ARG 28 2HB ARG 28 5.024 -18.451 -0.062 219 HB3 ARG 28 1HB ARG 28 6.356 -18.769 1.040 220 HG2 ARG 28 2HG ARG 28 4.927 -18.670 2.929 221 HG3 ARG 28 1HG ARG 28 3.602 -18.023 1.965 222 HD2 ARG 28 2HD ARG 28 4.820 -20.739 1.525 223 HD3 ARG 28 1HD ARG 28 3.413 -20.462 2.552 224 HE ARG 28 HE ARG 28 2.649 -19.310 0.277 225 HH11 ARG 28 1HH1 ARG 28 4.091 -22.504 0.824 226 HH12 ARG 28 2HH1 ARG 28 3.239 -23.232 -0.470 227 HH21 ARG 28 1HH2 ARG 28 1.468 -20.353 -1.457 228 HH22 ARG 28 2HH2 ARG 28 1.748 -21.992 -1.789 229 H ASN 29 H ASN 29 7.684 -15.285 1.563 230 HA ASN 29 HA ASN 29 9.608 -14.597 0.701 231 HB2 ASN 29 2HB ASN 29 9.170 -16.826 -1.260 232 HB3 ASN 29 1HB ASN 29 10.620 -15.819 -1.275 233 HD21 ASN 29 1HD2 ASN 29 10.338 -18.662 -0.847 234 HD22 ASN 29 2HD2 ASN 29 11.003 -19.005 0.703 235 H LEU 30 H LEU 30 6.916 -13.759 -0.231 236 HA LEU 30 HA LEU 30 7.942 -12.151 -2.425 237 HB2 LEU 30 2HB LEU 30 6.343 -13.693 -3.379 238 HB3 LEU 30 1HB LEU 30 5.166 -13.306 -2.143 239 HG LEU 30 HG LEU 30 5.028 -10.993 -3.076 240 HD11 LEU 30 1HD1 LEU 30 7.203 -10.853 -4.119 241 HD12 LEU 30 2HD1 LEU 30 5.929 -10.555 -5.299 242 HD13 LEU 30 3HD1 LEU 30 6.755 -12.113 -5.267 243 HD21 LEU 30 3HD2 LEU 30 3.388 -12.674 -3.707 244 HD22 LEU 30 1HD2 LEU 30 4.435 -13.226 -5.015 245 HD23 LEU 30 2HD2 LEU 30 3.737 -11.607 -5.065 246 H LYS 31 H LYS 31 8.360 -10.347 -1.442 247 HA LYS 31 HA LYS 31 6.708 -9.333 0.667 248 HB2 LYS 31 2HB LYS 31 9.189 -9.048 0.619 249 HB3 LYS 31 1HB LYS 31 9.032 -8.073 -0.825 250 HG2 LYS 31 2HG LYS 31 9.374 -6.636 1.056 251 HG3 LYS 31 1HG LYS 31 7.712 -6.435 0.497 252 HD2 LYS 31 2HD LYS 31 6.930 -7.921 2.251 253 HD3 LYS 31 1HD LYS 31 8.587 -8.167 2.807 254 HE2 LYS 31 2HE LYS 31 8.738 -5.745 3.274 255 HE3 LYS 31 1HE LYS 31 7.050 -5.575 2.794 256 HZ1 LYS 31 3HZ LYS 31 7.236 -5.742 5.183 257 HZ2 LYS 31 1HZ LYS 31 8.066 -7.199 5.057 258 HZ3 LYS 31 2HZ LYS 31 6.448 -7.096 4.595 259 H LEU 32 H LEU 32 4.703 -8.953 -0.247 260 HA LEU 32 HA LEU 32 4.512 -7.530 -2.731 261 HB2 LEU 32 2HB LEU 32 2.996 -9.413 -2.212 262 HB3 LEU 32 1HB LEU 32 2.375 -8.538 -0.835 263 HG LEU 32 HG LEU 32 2.025 -7.460 -3.641 264 HD11 LEU 32 1HD1 LEU 32 1.167 -9.750 -3.592 265 HD12 LEU 32 2HD1 LEU 32 -0.137 -8.568 -3.687 266 HD13 LEU 32 3HD1 LEU 32 0.225 -9.360 -2.152 267 HD21 LEU 32 3HD2 LEU 32 1.517 -5.945 -1.762 268 HD22 LEU 32 1HD2 LEU 32 0.414 -7.150 -1.099 269 HD23 LEU 32 2HD2 LEU 32 0.058 -6.388 -2.649 270 H ILE 33 H ILE 33 4.975 -5.494 -2.657 271 HA ILE 33 HA ILE 33 3.661 -3.900 -0.628 272 HB ILE 33 HB ILE 33 6.516 -3.685 -1.577 273 HG12 ILE 33 2HG1 ILE 33 6.127 -5.064 0.372 274 HG13 ILE 33 1HG1 ILE 33 7.003 -3.609 0.842 275 HG21 ILE 33 1HG2 ILE 33 5.050 -1.484 -0.129 276 HG22 ILE 33 2HG2 ILE 33 5.617 -1.427 -1.795 277 HG23 ILE 33 3HG2 ILE 33 6.779 -1.532 -0.473 278 HD11 ILE 33 3HD1 ILE 33 5.318 -4.113 2.500 279 HD12 ILE 33 1HD1 ILE 33 4.056 -4.162 1.268 280 HD13 ILE 33 2HD1 ILE 33 4.849 -2.647 1.634 281 H LEU 34 H LEU 34 1.959 -3.287 -1.783 282 HA LEU 34 HA LEU 34 2.606 -1.535 -4.022 283 HB2 LEU 34 2HB LEU 34 0.045 -2.895 -3.265 284 HB3 LEU 34 1HB LEU 34 0.022 -1.432 -4.234 285 HG LEU 34 HG LEU 34 1.433 -2.659 -5.912 286 HD11 LEU 34 1HD1 LEU 34 1.417 -5.090 -5.877 287 HD12 LEU 34 2HD1 LEU 34 0.663 -5.065 -4.284 288 HD13 LEU 34 3HD1 LEU 34 2.295 -4.431 -4.496 289 HD21 LEU 34 3HD2 LEU 34 -1.308 -3.723 -5.295 290 HD22 LEU 34 1HD2 LEU 34 -0.491 -3.833 -6.858 291 HD23 LEU 34 2HD2 LEU 34 -0.926 -2.253 -6.183 292 H GLN 35 H GLN 35 3.523 -0.415 -2.187 293 HA GLN 35 HA GLN 35 1.543 1.233 -0.813 294 HB2 GLN 35 2HB GLN 35 4.473 0.819 -0.266 295 HB3 GLN 35 1HB GLN 35 3.437 1.912 0.632 296 HG2 GLN 35 2HG GLN 35 2.086 -0.000 1.340 297 HG3 GLN 35 1HG GLN 35 3.180 -1.082 0.491 298 HE21 GLN 35 1HE2 GLN 35 5.509 0.643 1.288 299 HE22 GLN 35 2HE2 GLN 35 5.768 0.258 2.946 300 H GLY 36 H GLY 36 1.342 3.228 -1.459 301 HA2 GLY 36 2HA GLY 36 3.555 4.452 -2.891 302 HA3 GLY 36 1HA GLY 36 2.006 4.283 -3.722 303 H CYS 37 H CYS 37 2.049 6.543 -3.856 304 HA CYS 37 HA CYS 37 0.996 7.779 -1.425 305 HB2 CYS 37 2HB CYS 37 2.596 9.183 -3.566 306 HB3 CYS 37 1HB CYS 37 2.079 9.809 -2.008 307 H SER 38 H SER 38 -0.935 8.802 -1.815 308 HA SER 38 HA SER 38 -1.718 9.114 -4.609 309 HB2 SER 38 2HB SER 38 -2.653 6.978 -3.768 310 HB3 SER 38 1HB SER 38 -3.476 7.861 -2.482 311 HG SER 38 HG SER 38 -4.361 7.346 -4.853 312 H SER 39 H SER 39 -3.457 10.601 -4.909 313 HA SER 39 HA SER 39 -3.288 12.840 -3.098 314 HB2 SER 39 2HB SER 39 -4.673 12.499 -5.753 315 HB3 SER 39 1HB SER 39 -4.360 14.028 -4.919 316 HG SER 39 HG SER 39 -2.284 13.817 -5.208 317 H SER 40 H SER 40 -5.355 10.181 -3.613 318 HA SER 40 HA SER 40 -7.374 11.416 -1.946 319 HB2 SER 40 2HB SER 40 -8.078 11.720 -4.323 320 HB3 SER 40 1HB SER 40 -7.967 9.982 -4.559 321 HG SER 40 HG SER 40 -9.848 9.785 -3.753 322 H CYS 41 H CYS 41 -8.980 9.504 -1.362 323 HA CYS 41 HA CYS 41 -7.312 7.144 -0.958 324 HB2 CYS 41 2HB CYS 41 -7.799 8.284 1.160 325 HB3 CYS 41 1HB CYS 41 -9.521 8.225 0.805 326 H SER 42 H SER 42 -8.288 5.162 -1.162 327 HA SER 42 HA SER 42 -10.584 5.084 -2.941 328 HB2 SER 42 2HB SER 42 -8.546 3.806 -3.532 329 HB3 SER 42 1HB SER 42 -8.672 2.914 -2.019 330 HG SER 42 HG SER 42 -9.562 2.033 -4.100 331 H GLU 43 H GLU 43 -12.264 3.353 -2.429 332 HA GLU 43 HA GLU 43 -12.968 3.722 0.367 333 HB2 GLU 43 2HB GLU 43 -14.669 2.592 -1.859 334 HB3 GLU 43 1HB GLU 43 -15.212 3.046 -0.253 335 HG2 GLU 43 2HG GLU 43 -14.208 4.849 -2.421 336 HG3 GLU 43 1HG GLU 43 -15.858 4.751 -1.799 337 H THR 44 H THR 44 -11.606 1.397 -1.583 338 HA THR 44 HA THR 44 -12.662 -0.847 -0.158 339 HB THR 44 HB THR 44 -12.017 -1.194 -2.486 340 HG1 THR 44 1HG THR 44 -11.602 -3.108 -1.824 341 HG21 THR 44 3HG2 THR 44 -9.665 -1.146 -3.196 342 HG22 THR 44 1HG2 THR 44 -9.197 -0.565 -1.597 343 HG23 THR 44 2HG2 THR 44 -10.197 0.443 -2.645 344 H GLU 45 H GLU 45 -11.657 -2.091 1.353 345 HA GLU 45 HA GLU 45 -9.696 -0.750 3.002 346 HB2 GLU 45 2HB GLU 45 -11.103 -3.395 3.305 347 HB3 GLU 45 1HB GLU 45 -9.979 -2.755 4.484 348 HG2 GLU 45 2HG GLU 45 -11.454 -0.818 4.798 349 HG3 GLU 45 1HG GLU 45 -12.597 -1.534 3.660 350 H ASN 46 H ASN 46 -9.589 -2.621 0.341 351 HA ASN 46 HA ASN 46 -7.311 -4.243 0.940 352 HB2 ASN 46 2HB ASN 46 -9.029 -4.806 -0.786 353 HB3 ASN 46 1HB ASN 46 -8.512 -3.417 -1.723 354 HD21 ASN 46 1HD2 ASN 46 -7.677 -6.591 -0.600 355 HD22 ASN 46 2HD2 ASN 46 -6.378 -6.861 -1.703 356 H ASN 47 H ASN 47 -7.894 -0.958 0.173 357 HA ASN 47 HA ASN 47 -5.050 -0.491 -0.231 358 HB2 ASN 47 2HB ASN 47 -6.305 0.064 -2.208 359 HB3 ASN 47 1HB ASN 47 -7.437 1.058 -1.286 360 HD21 ASN 47 1HD2 ASN 47 -6.617 3.027 -0.390 361 HD22 ASN 47 2HD2 ASN 47 -5.234 3.787 -1.095 362 H LYS 48 H LYS 48 -4.425 0.049 1.678 363 HA LYS 48 HA LYS 48 -6.133 1.395 3.611 364 HB2 LYS 48 2HB LYS 48 -3.226 0.591 3.831 365 HB3 LYS 48 1HB LYS 48 -4.280 1.065 5.154 366 HG2 LYS 48 2HG LYS 48 -5.645 -0.921 4.809 367 HG3 LYS 48 1HG LYS 48 -4.648 -1.382 3.431 368 HD2 LYS 48 2HD LYS 48 -3.981 -2.678 5.362 369 HD3 LYS 48 1HD LYS 48 -2.695 -1.543 4.962 370 HE2 LYS 48 2HE LYS 48 -3.502 -0.032 6.732 371 HE3 LYS 48 1HE LYS 48 -4.767 -1.194 7.128 372 HZ1 LYS 48 3HZ LYS 48 -1.839 -1.626 7.364 373 HZ2 LYS 48 1HZ LYS 48 -3.004 -2.798 7.696 374 HZ3 LYS 48 2HZ LYS 48 -2.914 -1.391 8.626 375 H CYS 49 H CYS 49 -6.160 3.571 3.868 376 HA CYS 49 HA CYS 49 -4.014 5.136 2.578 377 HB2 CYS 49 2HB CYS 49 -6.707 6.152 3.437 378 HB3 CYS 49 1HB CYS 49 -5.557 6.913 2.356 379 H CYS 50 H CYS 50 -2.780 6.386 3.900 380 HA CYS 50 HA CYS 50 -3.948 7.306 6.380 381 HB2 CYS 50 2HB CYS 50 -1.719 6.837 7.512 382 HB3 CYS 50 1HB CYS 50 -2.693 5.421 7.131 383 H SER 51 H SER 51 -3.127 9.363 7.035 384 HA SER 51 HA SER 51 -1.762 10.701 4.822 385 HB2 SER 51 2HB SER 51 -3.103 12.724 5.708 386 HB3 SER 51 1HB SER 51 -3.952 11.480 4.789 387 HG SER 51 HG SER 51 -3.858 11.821 7.595 388 H THR 52 H THR 52 -0.069 9.651 6.627 389 HA THR 52 HA THR 52 1.045 12.060 7.849 390 HB THR 52 HB THR 52 1.303 9.386 9.169 391 HG1 THR 52 1HG THR 52 -0.996 10.188 9.070 392 HG21 THR 52 3HG2 THR 52 2.896 11.108 9.818 393 HG22 THR 52 1HG2 THR 52 1.828 10.738 11.172 394 HG23 THR 52 2HG2 THR 52 1.578 12.204 10.228 395 H ASP 53 H ASP 53 3.325 11.931 7.770 396 HA ASP 53 HA ASP 53 4.209 10.420 5.524 397 HB2 ASP 53 2HB ASP 53 6.396 11.384 5.771 398 HB3 ASP 53 1HB ASP 53 5.215 12.651 6.047 399 H ARG 54 H ARG 54 5.367 8.683 5.342 400 HA ARG 54 HA ARG 54 6.127 6.667 5.758 401 HB2 ARG 54 2HB ARG 54 7.123 8.097 8.200 402 HB3 ARG 54 1HB ARG 54 7.543 6.420 7.850 403 HG2 ARG 54 2HG ARG 54 8.580 7.032 5.793 404 HG3 ARG 54 1HG ARG 54 7.974 8.669 5.922 405 HD2 ARG 54 2HD ARG 54 9.843 7.505 7.968 406 HD3 ARG 54 1HD ARG 54 10.414 8.333 6.521 407 HE ARG 54 HE ARG 54 8.494 9.892 7.934 408 HH11 ARG 54 1HH1 ARG 54 11.947 8.998 7.995 409 HH12 ARG 54 2HH1 ARG 54 12.417 10.444 8.746 410 HH21 ARG 54 1HH2 ARG 54 9.154 11.819 8.885 411 HH22 ARG 54 2HH2 ARG 54 10.805 12.090 9.269 412 H CYS 55 H CYS 55 3.362 7.440 6.814 413 HA CYS 55 HA CYS 55 2.855 5.758 9.029 414 HB2 CYS 55 2HB CYS 55 0.491 5.950 8.346 415 HB3 CYS 55 1HB CYS 55 1.307 7.513 8.379 416 H ASN 56 H ASN 56 3.210 5.149 5.639 417 HA ASN 56 HA ASN 56 1.927 2.622 5.826 418 HB2 ASN 56 2HB ASN 56 2.367 2.345 3.414 419 HB3 ASN 56 1HB ASN 56 1.593 3.876 3.771 420 HD21 ASN 56 1HD2 ASN 56 2.850 3.325 1.435 421 HD22 ASN 56 2HD2 ASN 56 4.263 4.292 1.241 422 H LYS 57 H LYS 57 3.574 2.375 7.594 423 HA LYS 57 HA LYS 57 6.038 1.182 6.664 424 HB2 LYS 57 2HB LYS 57 6.665 1.218 9.125 425 HB3 LYS 57 1HB LYS 57 6.459 2.782 8.350 426 HG2 LYS 57 2HG LYS 57 4.293 3.051 9.366 427 HG3 LYS 57 1HG LYS 57 4.386 1.438 10.066 428 HD2 LYS 57 2HD LYS 57 4.909 3.099 11.762 429 HD3 LYS 57 1HD LYS 57 6.357 2.171 11.383 430 HE2 LYS 57 2HE LYS 57 7.146 3.957 9.939 431 HE3 LYS 57 1HE LYS 57 5.677 4.879 10.244 432 HZ1 LYS 57 3HZ LYS 57 7.496 5.662 11.564 433 HZ2 LYS 57 1HZ LYS 57 7.728 4.137 12.243 434 HZ3 LYS 57 2HZ LYS 57 6.313 5.003 12.576 Start of MODEL 11 1 H1 LEU 1 1HT LEU 1 4.198 14.372 1.061 2 H2 LEU 1 2HT LEU 1 5.077 15.045 2.349 3 H3 LEU 1 3HT LEU 1 3.385 14.975 2.409 4 HA LEU 1 HA LEU 1 4.497 13.275 3.737 5 HB2 LEU 1 2HB LEU 1 2.804 12.407 1.426 6 HB3 LEU 1 1HB LEU 1 3.354 11.291 2.650 7 HG LEU 1 HG LEU 1 1.575 13.670 3.107 8 HD11 LEU 1 2HD1 LEU 1 0.509 11.815 1.944 9 HD12 LEU 1 3HD1 LEU 1 -0.091 11.953 3.602 10 HD13 LEU 1 1HD1 LEU 1 1.089 10.707 3.188 11 HD21 LEU 1 1HD2 LEU 1 1.375 12.720 5.383 12 HD22 LEU 1 2HD2 LEU 1 2.996 13.304 5.011 13 HD23 LEU 1 3HD2 LEU 1 2.663 11.579 4.970 14 H LYS 2 H LYS 2 6.061 12.028 3.977 15 HA LYS 2 HA LYS 2 7.320 11.005 1.595 16 HB2 LYS 2 2HB LYS 2 9.392 10.681 3.041 17 HB3 LYS 2 1HB LYS 2 8.940 12.347 2.737 18 HG2 LYS 2 2HG LYS 2 7.933 12.480 4.966 19 HG3 LYS 2 1HG LYS 2 8.383 10.799 5.254 20 HD2 LYS 2 2HD LYS 2 10.721 11.360 5.028 21 HD3 LYS 2 1HD LYS 2 10.309 13.036 4.666 22 HE2 LYS 2 2HE LYS 2 9.617 11.627 7.237 23 HE3 LYS 2 1HE LYS 2 11.043 12.632 7.024 24 HZ1 LYS 2 3HZ LYS 2 9.537 14.498 6.497 25 HZ2 LYS 2 1HZ LYS 2 9.338 13.897 8.050 26 HZ3 LYS 2 2HZ LYS 2 8.195 13.538 6.890 27 H CYS 3 H CYS 3 6.911 8.949 1.197 28 HA CYS 3 HA CYS 3 6.064 7.264 3.464 29 HB2 CYS 3 2HB CYS 3 4.673 7.174 0.797 30 HB3 CYS 3 1HB CYS 3 4.108 6.598 2.363 31 H PHE 4 H PHE 4 5.995 4.880 2.823 32 HA PHE 4 HA PHE 4 8.496 4.290 1.500 33 HB2 PHE 4 2HB PHE 4 6.476 2.401 2.730 34 HB3 PHE 4 1HB PHE 4 8.079 1.974 2.160 35 HD1 PHE 4 2HD PHE 4 10.066 2.805 3.371 36 HD2 PHE 4 1HD PHE 4 6.125 3.302 4.863 37 HE1 PHE 4 2HE PHE 4 10.972 3.220 5.609 38 HE2 PHE 4 1HE PHE 4 7.020 3.713 7.100 39 HZ PHE 4 HZ PHE 4 9.454 3.673 7.480 40 H GLN 5 H GLN 5 8.014 4.812 -0.625 41 HA GLN 5 HA GLN 5 5.830 3.411 -1.960 42 HB2 GLN 5 2HB GLN 5 6.512 5.652 -2.720 43 HB3 GLN 5 1HB GLN 5 8.073 5.005 -3.199 44 HG2 GLN 5 2HG GLN 5 6.949 3.556 -4.837 45 HG3 GLN 5 1HG GLN 5 5.402 4.257 -4.381 46 HE21 GLN 5 1HE2 GLN 5 8.408 6.077 -4.688 47 HE22 GLN 5 2HE2 GLN 5 7.909 6.984 -6.054 48 H HIS 6 H HIS 6 9.347 3.139 -1.958 49 HA HIS 6 HA HIS 6 9.108 0.628 -3.512 50 HB2 HIS 6 2HB HIS 6 11.592 2.278 -2.938 51 HB3 HIS 6 1HB HIS 6 11.515 0.854 -3.961 52 HD1 HIS 6 1HD HIS 6 12.027 4.201 -4.463 53 HD2 HIS 6 2HD HIS 6 9.183 1.579 -5.996 54 HE1 HIS 6 1HE HIS 6 11.192 5.243 -6.607 55 H GLY 7 H GLY 7 8.725 1.260 -0.583 56 HA2 GLY 7 2HA GLY 7 9.054 -0.121 1.314 57 HA3 GLY 7 1HA GLY 7 10.473 -0.822 0.523 58 H LYS 8 H LYS 8 11.061 1.993 -0.298 59 HA LYS 8 HA LYS 8 12.531 2.869 2.083 60 HB2 LYS 8 2HB LYS 8 12.836 3.674 -0.811 61 HB3 LYS 8 1HB LYS 8 13.902 4.114 0.510 62 HG2 LYS 8 2HG LYS 8 14.647 1.838 0.726 63 HG3 LYS 8 1HG LYS 8 13.473 1.308 -0.486 64 HD2 LYS 8 2HD LYS 8 14.556 2.813 -2.119 65 HD3 LYS 8 1HD LYS 8 15.785 3.187 -0.912 66 HE2 LYS 8 2HE LYS 8 16.497 0.882 -0.874 67 HE3 LYS 8 1HE LYS 8 15.180 0.430 -1.959 68 HZ1 LYS 8 3HZ LYS 8 17.486 2.184 -2.618 69 HZ2 LYS 8 1HZ LYS 8 16.139 1.915 -3.605 70 HZ3 LYS 8 2HZ LYS 8 17.159 0.640 -3.222 71 H VAL 9 H VAL 9 12.541 5.199 2.388 72 HA VAL 9 HA VAL 9 9.901 6.316 2.102 73 HB VAL 9 HB VAL 9 12.383 7.500 3.369 74 HG11 VAL 9 1HG1 VAL 9 10.763 9.188 2.806 75 HG12 VAL 9 2HG1 VAL 9 10.811 8.960 4.558 76 HG13 VAL 9 3HG1 VAL 9 9.487 8.279 3.611 77 HG21 VAL 9 3HG2 VAL 9 11.781 5.446 4.473 78 HG22 VAL 9 1HG2 VAL 9 10.102 5.972 4.592 79 HG23 VAL 9 2HG2 VAL 9 11.349 6.820 5.496 80 H VAL 10 H VAL 10 9.318 7.493 0.429 81 HA VAL 10 HA VAL 10 11.361 9.035 -1.014 82 HB VAL 10 HB VAL 10 10.112 8.764 -3.068 83 HG11 VAL 10 1HG1 VAL 10 10.477 6.102 -1.715 84 HG12 VAL 10 2HG1 VAL 10 11.697 7.010 -2.606 85 HG13 VAL 10 3HG1 VAL 10 10.300 6.342 -3.453 86 HG21 VAL 10 3HG2 VAL 10 8.113 7.147 -1.481 87 HG22 VAL 10 1HG2 VAL 10 8.094 7.370 -3.231 88 HG23 VAL 10 2HG2 VAL 10 7.845 8.750 -2.163 89 H THR 11 H THR 11 10.665 11.099 -1.782 90 HA THR 11 HA THR 11 8.679 12.277 -0.060 91 HB THR 11 HB THR 11 10.344 13.614 -2.213 92 HG1 THR 11 1HG THR 11 11.450 12.446 -0.423 93 HG21 THR 11 3HG2 THR 11 9.906 15.645 -0.886 94 HG22 THR 11 1HG2 THR 11 8.931 14.701 0.239 95 HG23 THR 11 2HG2 THR 11 8.398 14.910 -1.428 96 H CYS 12 H CYS 12 6.636 12.099 -0.646 97 HA CYS 12 HA CYS 12 5.872 11.885 -3.414 98 HB2 CYS 12 2HB CYS 12 4.281 11.702 -0.855 99 HB3 CYS 12 1HB CYS 12 3.662 11.354 -2.476 100 H HIS 13 H HIS 13 4.602 13.291 -4.503 101 HA HIS 13 HA HIS 13 5.269 15.989 -3.931 102 HB2 HIS 13 2HB HIS 13 5.179 14.912 -6.230 103 HB3 HIS 13 1HB HIS 13 3.427 15.013 -6.123 104 HD1 HIS 13 1HD HIS 13 2.488 17.121 -7.247 105 HD2 HIS 13 2HD HIS 13 6.375 17.615 -5.803 106 HE1 HIS 13 1HE HIS 13 3.134 19.464 -7.756 107 H ARG 14 H ARG 14 3.500 17.717 -4.341 108 HA ARG 14 HA ARG 14 1.788 17.702 -2.100 109 HB2 ARG 14 2HB ARG 14 1.941 19.631 -4.416 110 HB3 ARG 14 1HB ARG 14 1.076 19.928 -2.914 111 HG2 ARG 14 2HG ARG 14 3.183 19.773 -1.680 112 HG3 ARG 14 1HG ARG 14 4.041 19.473 -3.189 113 HD2 ARG 14 2HD ARG 14 3.313 21.683 -4.004 114 HD3 ARG 14 1HD ARG 14 2.515 21.972 -2.457 115 HE ARG 14 HE ARG 14 5.173 21.263 -1.996 116 HH11 ARG 14 1HH1 ARG 14 3.331 24.023 -3.279 117 HH12 ARG 14 2HH1 ARG 14 4.530 25.163 -2.875 118 HH21 ARG 14 1HH2 ARG 14 6.821 22.850 -1.505 119 HH22 ARG 14 2HH2 ARG 14 6.548 24.489 -1.889 120 H ASP 15 H ASP 15 1.314 16.459 -5.170 121 HA ASP 15 HA ASP 15 -1.540 16.731 -5.388 122 HB2 ASP 15 2HB ASP 15 0.410 14.756 -6.599 123 HB3 ASP 15 1HB ASP 15 -1.310 14.727 -6.931 124 H MET 16 H MET 16 0.712 14.682 -3.847 125 HA MET 16 HA MET 16 -1.191 12.612 -3.285 126 HB2 MET 16 2HB MET 16 1.777 12.901 -2.949 127 HB3 MET 16 1HB MET 16 0.987 11.574 -2.160 128 HG2 MET 16 2HG MET 16 1.819 10.790 -4.161 129 HG3 MET 16 1HG MET 16 0.077 10.896 -4.340 130 HE1 MET 16 3HE MET 16 1.654 10.392 -6.733 131 HE2 MET 16 1HE MET 16 1.086 11.590 -7.924 132 HE3 MET 16 2HE MET 16 -0.057 10.832 -6.796 133 H LYS 17 H LYS 17 -2.461 12.747 -1.671 134 HA LYS 17 HA LYS 17 -1.744 14.423 0.616 135 HB2 LYS 17 2HB LYS 17 -4.410 13.355 -0.283 136 HB3 LYS 17 1HB LYS 17 -4.148 14.323 1.154 137 HG2 LYS 17 2HG LYS 17 -3.394 16.180 -0.238 138 HG3 LYS 17 1HG LYS 17 -3.667 15.202 -1.683 139 HD2 LYS 17 2HD LYS 17 -6.038 15.025 -1.119 140 HD3 LYS 17 1HD LYS 17 -5.769 15.978 0.339 141 HE2 LYS 17 2HE LYS 17 -5.317 16.921 -2.488 142 HE3 LYS 17 1HE LYS 17 -6.707 17.321 -1.485 143 HZ1 LYS 17 3HZ LYS 17 -5.230 18.439 0.059 144 HZ2 LYS 17 1HZ LYS 17 -5.076 19.087 -1.478 145 HZ3 LYS 17 2HZ LYS 17 -3.882 18.063 -0.886 146 H PHE 18 H PHE 18 -2.007 11.191 -0.350 147 HA PHE 18 HA PHE 18 -2.151 10.327 2.461 148 HB2 PHE 18 2HB PHE 18 -3.470 8.883 0.162 149 HB3 PHE 18 1HB PHE 18 -3.583 8.507 1.871 150 HD1 PHE 18 2HD PHE 18 -5.015 9.857 3.332 151 HD2 PHE 18 1HD PHE 18 -4.783 10.596 -0.848 152 HE1 PHE 18 2HE PHE 18 -7.082 11.186 3.446 153 HE2 PHE 18 1HE PHE 18 -6.851 11.917 -0.740 154 HZ PHE 18 HZ PHE 18 -8.002 12.214 1.409 155 H CYS 19 H CYS 19 -0.772 8.665 2.907 156 HA CYS 19 HA CYS 19 0.870 7.573 0.749 157 HB2 CYS 19 2HB CYS 19 0.841 6.715 3.666 158 HB3 CYS 19 1HB CYS 19 2.073 6.446 2.441 159 H TYR 20 H TYR 20 0.433 5.348 0.082 160 HA TYR 20 HA TYR 20 -1.669 4.140 1.663 161 HB2 TYR 20 2HB TYR 20 -2.832 3.229 -0.238 162 HB3 TYR 20 1HB TYR 20 -2.746 4.971 -0.377 163 HD1 TYR 20 1HD TYR 20 -1.637 1.751 -1.834 164 HD2 TYR 20 2HD TYR 20 -1.498 5.972 -2.148 165 HE1 TYR 20 1HE TYR 20 -0.877 1.541 -4.139 166 HE2 TYR 20 2HE TYR 20 -0.732 5.783 -4.457 167 HH TYR 20 HH TYR 20 0.406 4.145 -5.910 168 H HIS 21 H HIS 21 -1.696 2.115 1.921 169 HA HIS 21 HA HIS 21 0.505 0.544 0.825 170 HB2 HIS 21 2HB HIS 21 0.814 0.901 3.257 171 HB3 HIS 21 1HB HIS 21 -0.825 0.351 3.562 172 HD1 HIS 21 1HD HIS 21 0.500 -1.342 5.227 173 HD2 HIS 21 2HD HIS 21 1.070 -1.953 1.158 174 HE1 HIS 21 1HE HIS 21 1.385 -3.688 4.996 175 H ASN 22 H ASN 22 -0.548 -0.357 -0.815 176 HA ASN 22 HA ASN 22 -3.151 -1.543 -0.285 177 HB2 ASN 22 2HB ASN 22 -3.051 0.008 -2.212 178 HB3 ASN 22 1HB ASN 22 -1.791 -0.955 -2.946 179 HD21 ASN 22 1HD2 ASN 22 -5.090 -0.653 -2.241 180 HD22 ASN 22 2HD2 ASN 22 -5.699 -1.961 -3.200 181 H THR 23 H THR 23 -3.410 -3.676 -0.538 182 HA THR 23 HA THR 23 -1.412 -5.353 -1.553 183 HB THR 23 HB THR 23 -0.397 -4.714 0.637 184 HG1 THR 23 1HG THR 23 0.037 -6.750 -0.094 185 HG21 THR 23 3HG2 THR 23 -2.398 -4.208 1.940 186 HG22 THR 23 1HG2 THR 23 -1.454 -5.444 2.767 187 HG23 THR 23 2HG2 THR 23 -2.906 -5.895 1.872 188 H GLY 24 H GLY 24 -2.299 -7.672 -0.375 189 HA2 GLY 24 2HA GLY 24 -5.216 -7.577 -0.562 190 HA3 GLY 24 1HA GLY 24 -4.344 -8.645 -1.662 191 H MET 25 H MET 25 -5.049 -10.533 -0.835 192 HA MET 25 HA MET 25 -4.588 -11.083 1.971 193 HB2 MET 25 2HB MET 25 -5.629 -12.799 -0.296 194 HB3 MET 25 1HB MET 25 -5.412 -13.384 1.343 195 HG2 MET 25 2HG MET 25 -7.023 -11.710 2.130 196 HG3 MET 25 1HG MET 25 -7.263 -11.184 0.465 197 HE1 MET 25 3HE MET 25 -9.900 -11.564 0.813 198 HE2 MET 25 1HE MET 25 -9.571 -12.101 2.462 199 HE3 MET 25 2HE MET 25 -10.578 -13.084 1.405 200 HA PRO 26 HA PRO 26 -0.604 -12.842 1.250 201 HB2 PRO 26 2HB PRO 26 -0.543 -14.911 3.021 202 HB3 PRO 26 1HB PRO 26 -0.353 -13.226 3.511 203 HG2 PRO 26 2HG PRO 26 -2.767 -14.971 3.610 204 HG3 PRO 26 1HG PRO 26 -2.185 -13.799 4.811 205 HD2 PRO 26 2HD PRO 26 -4.214 -13.259 3.105 206 HD3 PRO 26 1HD PRO 26 -3.090 -12.011 3.678 207 H PHE 27 H PHE 27 -0.519 -13.728 -0.685 208 HA PHE 27 HA PHE 27 -1.671 -16.389 -1.090 209 HB2 PHE 27 2HB PHE 27 -0.787 -14.315 -3.091 210 HB3 PHE 27 1HB PHE 27 -1.438 -15.898 -3.519 211 HD1 PHE 27 2HD PHE 27 -3.806 -16.273 -2.105 212 HD2 PHE 27 1HD PHE 27 -2.190 -12.583 -3.468 213 HE1 PHE 27 2HE PHE 27 -6.062 -15.301 -2.136 214 HE2 PHE 27 1HE PHE 27 -4.443 -11.600 -3.494 215 HZ PHE 27 HZ PHE 27 -6.384 -12.956 -2.832 216 H ARG 28 H ARG 28 -0.337 -18.038 -1.680 217 HA ARG 28 HA ARG 28 2.340 -17.905 -0.810 218 HB2 ARG 28 2HB ARG 28 1.126 -19.976 -2.630 219 HB3 ARG 28 1HB ARG 28 2.628 -20.146 -1.740 220 HG2 ARG 28 2HG ARG 28 1.285 -19.927 0.373 221 HG3 ARG 28 1HG ARG 28 -0.164 -20.014 -0.633 222 HD2 ARG 28 2HD ARG 28 0.334 -22.219 0.219 223 HD3 ARG 28 1HD ARG 28 0.641 -22.186 -1.521 224 HE ARG 28 HE ARG 28 2.867 -21.655 0.252 225 HH11 ARG 28 1HH1 ARG 28 1.275 -24.079 -1.805 226 HH12 ARG 28 2HH1 ARG 28 2.651 -25.058 -1.954 227 HH21 ARG 28 1HH2 ARG 28 4.755 -23.009 0.044 228 HH22 ARG 28 2HH2 ARG 28 4.683 -24.437 -0.863 229 H ASN 29 H ASN 29 4.074 -17.189 -1.712 230 HA ASN 29 HA ASN 29 5.621 -16.499 -3.125 231 HB2 ASN 29 2HB ASN 29 4.163 -18.248 -5.079 232 HB3 ASN 29 1HB ASN 29 5.591 -17.327 -5.546 233 HD21 ASN 29 1HD2 ASN 29 6.791 -19.150 -5.962 234 HD22 ASN 29 2HD2 ASN 29 7.367 -20.199 -4.731 235 H LEU 30 H LEU 30 2.706 -15.290 -3.116 236 HA LEU 30 HA LEU 30 3.446 -13.377 -5.188 237 HB2 LEU 30 2HB LEU 30 1.464 -14.608 -5.898 238 HB3 LEU 30 1HB LEU 30 0.651 -14.208 -4.404 239 HG LEU 30 HG LEU 30 0.696 -11.808 -5.061 240 HD11 LEU 30 1HD1 LEU 30 1.203 -11.215 -7.378 241 HD12 LEU 30 2HD1 LEU 30 1.768 -12.859 -7.673 242 HD13 LEU 30 3HD1 LEU 30 2.621 -11.825 -6.528 243 HD21 LEU 30 3HD2 LEU 30 -1.276 -13.176 -5.501 244 HD22 LEU 30 1HD2 LEU 30 -0.603 -13.656 -7.058 245 HD23 LEU 30 2HD2 LEU 30 -1.044 -11.974 -6.769 246 H LYS 31 H LYS 31 4.549 -12.148 -3.807 247 HA LYS 31 HA LYS 31 3.205 -11.002 -1.510 248 HB2 LYS 31 2HB LYS 31 5.937 -10.432 -2.692 249 HB3 LYS 31 1HB LYS 31 5.328 -9.742 -1.204 250 HG2 LYS 31 2HG LYS 31 5.783 -12.682 -1.678 251 HG3 LYS 31 1HG LYS 31 6.928 -11.606 -0.885 252 HD2 LYS 31 2HD LYS 31 4.120 -12.186 0.078 253 HD3 LYS 31 1HD LYS 31 5.585 -12.924 0.719 254 HE2 LYS 31 2HE LYS 31 6.390 -10.647 1.328 255 HE3 LYS 31 1HE LYS 31 4.838 -10.003 0.803 256 HZ1 LYS 31 3HZ LYS 31 3.753 -11.340 2.475 257 HZ2 LYS 31 1HZ LYS 31 4.902 -10.365 3.210 258 HZ3 LYS 31 2HZ LYS 31 5.203 -12.004 2.959 259 H LEU 32 H LEU 32 1.532 -9.927 -2.558 260 HA LEU 32 HA LEU 32 2.277 -7.972 -4.511 261 HB2 LEU 32 2HB LEU 32 -0.061 -7.357 -4.767 262 HB3 LEU 32 1HB LEU 32 0.156 -9.078 -4.925 263 HG LEU 32 HG LEU 32 -0.920 -7.772 -2.417 264 HD11 LEU 32 1HD1 LEU 32 -3.127 -8.383 -3.252 265 HD12 LEU 32 2HD1 LEU 32 -2.399 -8.976 -4.743 266 HD13 LEU 32 3HD1 LEU 32 -2.324 -7.257 -4.349 267 HD21 LEU 32 3HD2 LEU 32 -1.832 -10.035 -2.022 268 HD22 LEU 32 1HD2 LEU 32 -0.068 -10.025 -2.087 269 HD23 LEU 32 2HD2 LEU 32 -0.994 -10.600 -3.471 270 H ILE 33 H ILE 33 3.034 -6.227 -4.095 271 HA ILE 33 HA ILE 33 2.311 -4.753 -1.678 272 HB ILE 33 HB ILE 33 5.050 -5.241 -2.861 273 HG12 ILE 33 2HG1 ILE 33 4.277 -6.739 -1.073 274 HG13 ILE 33 1HG1 ILE 33 5.671 -5.788 -0.565 275 HG21 ILE 33 1HG2 ILE 33 4.905 -2.830 -2.642 276 HG22 ILE 33 2HG2 ILE 33 6.015 -3.495 -1.443 277 HG23 ILE 33 3HG2 ILE 33 4.394 -2.992 -0.961 278 HD11 ILE 33 3HD1 ILE 33 2.788 -5.335 0.196 279 HD12 ILE 33 1HD1 ILE 33 4.110 -4.227 0.555 280 HD13 ILE 33 2HD1 ILE 33 4.112 -5.853 1.245 281 H LEU 34 H LEU 34 1.152 -3.110 -2.305 282 HA LEU 34 HA LEU 34 2.178 -1.509 -4.506 283 HB2 LEU 34 2HB LEU 34 -0.662 -2.154 -3.795 284 HB3 LEU 34 1HB LEU 34 -0.260 -0.801 -4.854 285 HG LEU 34 HG LEU 34 0.209 -3.748 -5.363 286 HD11 LEU 34 1HD1 LEU 34 -2.136 -3.100 -5.478 287 HD12 LEU 34 2HD1 LEU 34 -1.507 -3.475 -7.085 288 HD13 LEU 34 3HD1 LEU 34 -1.730 -1.796 -6.589 289 HD21 LEU 34 3HD2 LEU 34 0.722 -1.350 -7.119 290 HD22 LEU 34 1HD2 LEU 34 0.827 -3.033 -7.631 291 HD23 LEU 34 2HD2 LEU 34 1.940 -2.415 -6.416 292 H GLN 35 H GLN 35 3.351 -0.757 -2.591 293 HA GLN 35 HA GLN 35 1.845 1.085 -0.919 294 HB2 GLN 35 2HB GLN 35 4.757 0.317 -0.960 295 HB3 GLN 35 1HB GLN 35 4.042 1.462 0.166 296 HG2 GLN 35 2HG GLN 35 2.686 -0.305 1.101 297 HG3 GLN 35 1HG GLN 35 3.334 -1.451 -0.071 298 HE21 GLN 35 1HE2 GLN 35 5.291 1.021 1.423 299 HE22 GLN 35 2HE2 GLN 35 6.209 -0.051 2.421 300 H GLY 36 H GLY 36 1.476 3.008 -1.773 301 HA2 GLY 36 2HA GLY 36 3.708 4.394 -3.039 302 HA3 GLY 36 1HA GLY 36 2.218 4.232 -3.968 303 H CYS 37 H CYS 37 2.195 6.543 -3.943 304 HA CYS 37 HA CYS 37 0.902 7.456 -1.501 305 HB2 CYS 37 2HB CYS 37 2.730 9.053 -3.318 306 HB3 CYS 37 1HB CYS 37 1.753 9.732 -2.019 307 H SER 38 H SER 38 -0.977 8.491 -1.728 308 HA SER 38 HA SER 38 -2.084 8.367 -4.441 309 HB2 SER 38 2HB SER 38 -3.048 6.664 -3.007 310 HB3 SER 38 1HB SER 38 -3.468 7.875 -1.792 311 HG SER 38 HG SER 38 -4.781 7.064 -3.964 312 H SER 39 H SER 39 -3.347 9.978 -5.151 313 HA SER 39 HA SER 39 -3.152 12.535 -3.843 314 HB2 SER 39 2HB SER 39 -4.459 11.738 -6.464 315 HB3 SER 39 1HB SER 39 -3.953 13.356 -5.957 316 HG SER 39 HG SER 39 -1.914 12.845 -6.201 317 H SER 40 H SER 40 -5.452 10.043 -4.650 318 HA SER 40 HA SER 40 -7.321 11.026 -2.731 319 HB2 SER 40 2HB SER 40 -9.203 10.751 -4.462 320 HB3 SER 40 1HB SER 40 -8.204 12.197 -4.604 321 HG SER 40 HG SER 40 -7.409 9.918 -6.025 322 H CYS 41 H CYS 41 -8.030 9.326 -1.636 323 HA CYS 41 HA CYS 41 -6.951 6.751 -2.334 324 HB2 CYS 41 2HB CYS 41 -6.748 7.540 -0.057 325 HB3 CYS 41 1HB CYS 41 -8.494 7.672 0.088 326 H SER 42 H SER 42 -8.026 4.841 -2.621 327 HA SER 42 HA SER 42 -10.772 4.963 -3.498 328 HB2 SER 42 2HB SER 42 -8.845 2.631 -3.351 329 HB3 SER 42 1HB SER 42 -10.360 2.680 -4.253 330 HG SER 42 HG SER 42 -8.795 4.755 -4.885 331 H GLU 43 H GLU 43 -12.315 4.641 -2.000 332 HA GLU 43 HA GLU 43 -11.654 3.996 0.660 333 HB2 GLU 43 2HB GLU 43 -14.079 4.175 1.115 334 HB3 GLU 43 1HB GLU 43 -13.427 5.545 0.231 335 HG2 GLU 43 2HG GLU 43 -14.290 4.584 -1.839 336 HG3 GLU 43 1HG GLU 43 -14.961 3.260 -0.885 337 H THR 44 H THR 44 -10.938 2.075 1.083 338 HA THR 44 HA THR 44 -12.698 -0.205 0.752 339 HB THR 44 HB THR 44 -10.463 -1.480 0.222 340 HG1 THR 44 1HG THR 44 -9.909 1.152 -0.700 341 HG21 THR 44 3HG2 THR 44 -12.367 -1.364 -1.336 342 HG22 THR 44 1HG2 THR 44 -10.836 -1.216 -2.196 343 HG23 THR 44 2HG2 THR 44 -11.818 0.217 -1.889 344 H GLU 45 H GLU 45 -11.402 -2.125 2.016 345 HA GLU 45 HA GLU 45 -10.941 -0.941 4.640 346 HB2 GLU 45 2HB GLU 45 -11.430 -3.797 3.819 347 HB3 GLU 45 1HB GLU 45 -11.164 -3.265 5.470 348 HG2 GLU 45 2HG GLU 45 -13.442 -2.465 3.686 349 HG3 GLU 45 1HG GLU 45 -13.517 -3.594 5.039 350 H ASN 46 H ASN 46 -9.481 -3.336 2.496 351 HA ASN 46 HA ASN 46 -7.230 -3.704 4.219 352 HB2 ASN 46 2HB ASN 46 -8.265 -5.474 2.785 353 HB3 ASN 46 1HB ASN 46 -7.603 -4.655 1.378 354 HD21 ASN 46 1HD2 ASN 46 -6.401 -6.414 0.830 355 HD22 ASN 46 2HD2 ASN 46 -4.998 -6.925 1.700 356 H ASN 47 H ASN 47 -7.950 -1.643 1.484 357 HA ASN 47 HA ASN 47 -5.180 -1.029 1.037 358 HB2 ASN 47 2HB ASN 47 -6.566 -0.936 -0.894 359 HB3 ASN 47 1HB ASN 47 -7.766 0.054 -0.075 360 HD21 ASN 47 1HD2 ASN 47 -7.512 2.218 -0.078 361 HD22 ASN 47 2HD2 ASN 47 -6.240 3.050 -0.872 362 H LYS 48 H LYS 48 -4.194 0.021 2.505 363 HA LYS 48 HA LYS 48 -5.622 1.733 4.350 364 HB2 LYS 48 2HB LYS 48 -2.814 0.686 4.278 365 HB3 LYS 48 1HB LYS 48 -3.417 1.783 5.525 366 HG2 LYS 48 2HG LYS 48 -5.060 0.078 6.175 367 HG3 LYS 48 1HG LYS 48 -4.441 -0.990 4.914 368 HD2 LYS 48 2HD LYS 48 -3.504 -1.589 7.092 369 HD3 LYS 48 1HD LYS 48 -2.242 -0.998 6.012 370 HE2 LYS 48 2HE LYS 48 -2.345 1.200 7.092 371 HE3 LYS 48 1HE LYS 48 -3.615 0.616 8.165 372 HZ1 LYS 48 3HZ LYS 48 -2.041 -0.946 9.108 373 HZ2 LYS 48 1HZ LYS 48 -1.415 0.615 9.191 374 HZ3 LYS 48 2HZ LYS 48 -0.855 -0.461 8.024 375 H CYS 49 H CYS 49 -5.765 3.835 4.027 376 HA CYS 49 HA CYS 49 -3.547 5.226 2.684 377 HB2 CYS 49 2HB CYS 49 -6.471 5.996 2.710 378 HB3 CYS 49 1HB CYS 49 -5.175 6.878 1.919 379 H CYS 50 H CYS 50 -2.594 6.654 3.990 380 HA CYS 50 HA CYS 50 -4.178 7.848 6.090 381 HB2 CYS 50 2HB CYS 50 -2.130 7.424 7.622 382 HB3 CYS 50 1HB CYS 50 -3.259 6.102 7.317 383 H SER 51 H SER 51 -3.172 9.798 7.004 384 HA SER 51 HA SER 51 -1.761 11.205 4.867 385 HB2 SER 51 2HB SER 51 -2.786 13.208 6.145 386 HB3 SER 51 1HB SER 51 -3.839 12.173 5.176 387 HG SER 51 HG SER 51 -4.891 11.795 6.885 388 H THR 52 H THR 52 -0.191 9.698 6.894 389 HA THR 52 HA THR 52 1.316 11.978 7.897 390 HB THR 52 HB THR 52 1.941 10.307 9.861 391 HG1 THR 52 1HG THR 52 -0.742 9.625 9.313 392 HG21 THR 52 3HG2 THR 52 0.194 11.360 11.258 393 HG22 THR 52 1HG2 THR 52 -0.622 11.917 9.798 394 HG23 THR 52 2HG2 THR 52 0.980 12.532 10.201 395 H ASP 53 H ASP 53 3.576 11.718 8.036 396 HA ASP 53 HA ASP 53 4.669 10.341 5.863 397 HB2 ASP 53 2HB ASP 53 6.113 11.380 8.311 398 HB3 ASP 53 1HB ASP 53 6.913 10.747 6.890 399 H ARG 54 H ARG 54 5.485 8.460 5.556 400 HA ARG 54 HA ARG 54 6.119 6.329 5.746 401 HB2 ARG 54 2HB ARG 54 6.892 7.137 8.541 402 HB3 ARG 54 1HB ARG 54 7.322 5.601 7.816 403 HG2 ARG 54 2HG ARG 54 8.532 6.881 6.039 404 HG3 ARG 54 1HG ARG 54 8.212 8.347 6.969 405 HD2 ARG 54 2HD ARG 54 9.743 5.925 7.927 406 HD3 ARG 54 1HD ARG 54 10.437 7.477 7.466 407 HE ARG 54 HE ARG 54 8.627 8.061 9.418 408 HH11 ARG 54 1HH1 ARG 54 11.481 5.962 9.258 409 HH12 ARG 54 2HH1 ARG 54 11.864 6.150 10.911 410 HH21 ARG 54 1HH2 ARG 54 9.166 8.302 11.661 411 HH22 ARG 54 2HH2 ARG 54 10.545 7.506 12.292 412 H CYS 55 H CYS 55 3.292 7.159 6.781 413 HA CYS 55 HA CYS 55 2.733 5.179 8.761 414 HB2 CYS 55 2HB CYS 55 0.427 5.855 8.537 415 HB3 CYS 55 1HB CYS 55 1.460 7.285 8.532 416 H ASN 56 H ASN 56 3.112 4.954 5.403 417 HA ASN 56 HA ASN 56 1.144 2.844 5.092 418 HB2 ASN 56 2HB ASN 56 1.623 2.856 2.729 419 HB3 ASN 56 1HB ASN 56 1.436 4.509 3.273 420 HD21 ASN 56 1HD2 ASN 56 2.693 3.420 0.946 421 HD22 ASN 56 2HD2 ASN 56 4.342 3.926 0.919 422 H LYS 57 H LYS 57 3.314 2.412 6.855 423 HA LYS 57 HA LYS 57 4.914 0.397 5.506 424 HB2 LYS 57 2HB LYS 57 6.165 0.175 7.608 425 HB3 LYS 57 1HB LYS 57 6.145 1.836 7.049 426 HG2 LYS 57 2HG LYS 57 4.539 2.452 8.722 427 HG3 LYS 57 1HG LYS 57 4.318 0.771 9.195 428 HD2 LYS 57 2HD LYS 57 6.884 2.350 9.474 429 HD3 LYS 57 1HD LYS 57 5.746 2.024 10.778 430 HE2 LYS 57 2HE LYS 57 7.348 -0.046 9.238 431 HE3 LYS 57 1HE LYS 57 7.643 0.492 10.881 432 HZ1 LYS 57 3HZ LYS 57 5.455 -0.448 11.516 433 HZ2 LYS 57 1HZ LYS 57 6.482 -1.615 10.875 434 HZ3 LYS 57 2HZ LYS 57 5.244 -1.012 9.946 Start of MODEL 12 1 H1 LEU 1 1HT LEU 1 5.179 15.007 2.353 2 H2 LEU 1 2HT LEU 1 3.499 15.025 2.307 3 H3 LEU 1 3HT LEU 1 4.366 14.420 0.993 4 HA LEU 1 HA LEU 1 4.279 13.296 3.695 5 HB2 LEU 1 2HB LEU 1 2.875 12.600 1.172 6 HB3 LEU 1 1HB LEU 1 3.321 11.323 2.280 7 HG LEU 1 HG LEU 1 1.618 13.688 3.061 8 HD11 LEU 1 2HD1 LEU 1 0.527 12.293 1.365 9 HD12 LEU 1 3HD1 LEU 1 -0.233 12.122 2.947 10 HD13 LEU 1 1HD1 LEU 1 0.849 10.864 2.350 11 HD21 LEU 1 1HD2 LEU 1 1.117 12.253 4.988 12 HD22 LEU 1 2HD2 LEU 1 2.826 12.661 4.904 13 HD23 LEU 1 3HD2 LEU 1 2.278 11.069 4.392 14 H LYS 2 H LYS 2 5.776 12.012 4.226 15 HA LYS 2 HA LYS 2 7.471 10.895 2.154 16 HB2 LYS 2 2HB LYS 2 9.042 10.508 4.211 17 HB3 LYS 2 1HB LYS 2 8.943 12.122 3.504 18 HG2 LYS 2 2HG LYS 2 7.418 12.763 5.236 19 HG3 LYS 2 1HG LYS 2 7.504 11.144 5.952 20 HD2 LYS 2 2HD LYS 2 9.872 11.456 6.377 21 HD3 LYS 2 1HD LYS 2 9.833 13.018 5.555 22 HE2 LYS 2 2HE LYS 2 8.294 13.870 7.241 23 HE3 LYS 2 1HE LYS 2 8.306 12.307 8.055 24 HZ1 LYS 2 3HZ LYS 2 10.655 14.097 7.707 25 HZ2 LYS 2 1HZ LYS 2 10.673 12.602 8.483 26 HZ3 LYS 2 2HZ LYS 2 9.788 13.882 9.119 27 H CYS 3 H CYS 3 6.961 8.894 1.689 28 HA CYS 3 HA CYS 3 6.134 7.103 3.843 29 HB2 CYS 3 2HB CYS 3 4.604 7.532 1.268 30 HB3 CYS 3 1HB CYS 3 4.274 6.250 2.432 31 H PHE 4 H PHE 4 6.040 4.741 3.018 32 HA PHE 4 HA PHE 4 8.609 4.334 1.707 33 HB2 PHE 4 2HB PHE 4 6.725 2.250 2.857 34 HB3 PHE 4 1HB PHE 4 8.360 1.989 2.276 35 HD1 PHE 4 1HD PHE 4 10.251 3.123 3.523 36 HD2 PHE 4 2HD PHE 4 6.320 2.737 5.087 37 HE1 PHE 4 1HE PHE 4 11.135 3.410 5.789 38 HE2 PHE 4 2HE PHE 4 7.199 3.027 7.366 39 HZ PHE 4 HZ PHE 4 9.612 3.360 7.720 40 H GLN 5 H GLN 5 7.872 5.030 -0.400 41 HA GLN 5 HA GLN 5 5.842 3.371 -1.674 42 HB2 GLN 5 2HB GLN 5 5.968 5.726 -2.293 43 HB3 GLN 5 1HB GLN 5 7.614 5.490 -2.863 44 HG2 GLN 5 2HG GLN 5 6.783 3.968 -4.596 45 HG3 GLN 5 1HG GLN 5 5.135 4.268 -4.058 46 HE21 GLN 5 1HE2 GLN 5 5.665 7.134 -3.550 47 HE22 GLN 5 2HE2 GLN 5 5.769 7.850 -5.100 48 H HIS 6 H HIS 6 9.336 3.762 -1.929 49 HA HIS 6 HA HIS 6 9.405 1.443 -3.761 50 HB2 HIS 6 2HB HIS 6 10.507 3.753 -4.311 51 HB3 HIS 6 1HB HIS 6 11.724 3.281 -3.137 52 HD1 HIS 6 1HD HIS 6 13.544 1.541 -3.973 53 HD2 HIS 6 2HD HIS 6 10.420 2.196 -6.634 54 HE1 HIS 6 1HE HIS 6 14.277 0.559 -6.144 55 H GLY 7 H GLY 7 9.079 1.620 -0.790 56 HA2 GLY 7 2HA GLY 7 9.741 0.138 0.905 57 HA3 GLY 7 1HA GLY 7 11.218 -0.202 -0.006 58 H LYS 8 H LYS 8 11.971 2.330 -0.561 59 HA LYS 8 HA LYS 8 13.090 3.269 1.914 60 HB2 LYS 8 2HB LYS 8 13.239 4.479 -0.858 61 HB3 LYS 8 1HB LYS 8 14.267 4.859 0.514 62 HG2 LYS 8 2HG LYS 8 15.248 2.629 0.420 63 HG3 LYS 8 1HG LYS 8 14.171 2.200 -0.907 64 HD2 LYS 8 2HD LYS 8 16.327 2.762 -1.828 65 HD3 LYS 8 1HD LYS 8 15.186 4.033 -2.255 66 HE2 LYS 8 2HE LYS 8 17.256 5.056 -1.596 67 HE3 LYS 8 1HE LYS 8 16.070 5.382 -0.341 68 HZ1 LYS 8 3HZ LYS 8 17.068 3.453 0.908 69 HZ2 LYS 8 1HZ LYS 8 18.144 4.742 0.662 70 HZ3 LYS 8 2HZ LYS 8 18.229 3.363 -0.289 71 H VAL 9 H VAL 9 12.714 5.369 2.700 72 HA VAL 9 HA VAL 9 10.054 6.366 2.516 73 HB VAL 9 HB VAL 9 12.516 7.753 3.628 74 HG11 VAL 9 1HG1 VAL 9 10.660 9.274 3.275 75 HG12 VAL 9 2HG1 VAL 9 10.930 9.020 4.999 76 HG13 VAL 9 3HG1 VAL 9 9.590 8.210 4.188 77 HG21 VAL 9 3HG2 VAL 9 12.164 5.566 4.666 78 HG22 VAL 9 1HG2 VAL 9 10.513 6.026 5.066 79 HG23 VAL 9 2HG2 VAL 9 11.871 6.881 5.805 80 H VAL 10 H VAL 10 9.348 7.382 0.739 81 HA VAL 10 HA VAL 10 11.229 9.108 -0.691 82 HB VAL 10 HB VAL 10 9.995 8.818 -2.715 83 HG11 VAL 10 1HG1 VAL 10 11.585 7.075 -2.332 84 HG12 VAL 10 2HG1 VAL 10 10.168 6.411 -3.155 85 HG13 VAL 10 3HG1 VAL 10 10.394 6.139 -1.428 86 HG21 VAL 10 3HG2 VAL 10 7.740 8.789 -1.775 87 HG22 VAL 10 1HG2 VAL 10 7.996 7.147 -1.194 88 HG23 VAL 10 2HG2 VAL 10 7.972 7.486 -2.932 89 H THR 11 H THR 11 10.422 11.106 -1.444 90 HA THR 11 HA THR 11 8.346 12.184 0.263 91 HB THR 11 HB THR 11 9.970 13.631 -1.851 92 HG1 THR 11 1HG THR 11 10.914 12.365 0.199 93 HG21 THR 11 3HG2 THR 11 8.008 14.820 -0.900 94 HG22 THR 11 1HG2 THR 11 9.529 15.582 -0.429 95 HG23 THR 11 2HG2 THR 11 8.661 14.565 0.717 96 H CYS 12 H CYS 12 6.335 12.090 -0.464 97 HA CYS 12 HA CYS 12 5.686 11.354 -3.121 98 HB2 CYS 12 2HB CYS 12 3.879 12.294 -0.891 99 HB3 CYS 12 1HB CYS 12 3.374 11.441 -2.345 100 H HIS 13 H HIS 13 4.272 12.589 -4.512 101 HA HIS 13 HA HIS 13 5.227 15.166 -5.067 102 HB2 HIS 13 2HB HIS 13 4.320 13.514 -6.729 103 HB3 HIS 13 1HB HIS 13 2.726 13.819 -6.072 104 HD1 HIS 13 1HD HIS 13 1.516 14.984 -7.912 105 HD2 HIS 13 2HD HIS 13 5.394 16.392 -7.434 106 HE1 HIS 13 1HE HIS 13 1.750 16.924 -9.499 107 H ARG 14 H ARG 14 3.946 17.075 -5.221 108 HA ARG 14 HA ARG 14 2.771 18.137 -2.922 109 HB2 ARG 14 2HB ARG 14 1.790 18.902 -5.616 110 HB3 ARG 14 1HB ARG 14 1.993 19.926 -4.218 111 HG2 ARG 14 2HG ARG 14 4.363 20.018 -4.550 112 HG3 ARG 14 1HG ARG 14 4.266 18.754 -5.791 113 HD2 ARG 14 2HD ARG 14 3.089 21.519 -5.957 114 HD3 ARG 14 1HD ARG 14 4.440 20.879 -6.902 115 HE ARG 14 HE ARG 14 1.882 19.465 -7.116 116 HH11 ARG 14 1HH1 ARG 14 4.106 21.707 -8.696 117 HH12 ARG 14 2HH1 ARG 14 3.346 21.538 -10.206 118 HH21 ARG 14 1HH2 ARG 14 0.886 19.247 -9.064 119 HH22 ARG 14 2HH2 ARG 14 1.449 20.082 -10.440 120 H ASP 15 H ASP 15 1.334 16.569 -5.710 121 HA ASP 15 HA ASP 15 -1.385 17.198 -4.986 122 HB2 ASP 15 2HB ASP 15 -0.215 15.569 -7.247 123 HB3 ASP 15 1HB ASP 15 -1.935 15.814 -7.025 124 H MET 16 H MET 16 0.754 14.904 -4.032 125 HA MET 16 HA MET 16 -1.253 12.854 -3.702 126 HB2 MET 16 2HB MET 16 1.748 12.831 -3.414 127 HB3 MET 16 1HB MET 16 0.758 11.556 -2.717 128 HG2 MET 16 2HG MET 16 1.642 10.939 -4.866 129 HG3 MET 16 1HG MET 16 -0.112 10.956 -4.816 130 HE1 MET 16 3HE MET 16 1.374 10.742 -7.463 131 HE2 MET 16 1HE MET 16 0.448 11.884 -8.462 132 HE3 MET 16 2HE MET 16 -0.369 10.873 -7.248 133 H LYS 17 H LYS 17 -2.510 13.264 -2.210 134 HA LYS 17 HA LYS 17 -1.781 14.691 0.199 135 HB2 LYS 17 2HB LYS 17 -4.378 13.587 -0.808 136 HB3 LYS 17 1HB LYS 17 -4.178 14.543 0.650 137 HG2 LYS 17 2HG LYS 17 -3.579 16.461 -0.576 138 HG3 LYS 17 1HG LYS 17 -3.394 15.533 -2.068 139 HD2 LYS 17 2HD LYS 17 -5.476 16.785 -2.061 140 HD3 LYS 17 1HD LYS 17 -5.758 15.043 -2.078 141 HE2 LYS 17 2HE LYS 17 -7.329 16.137 -0.569 142 HE3 LYS 17 1HE LYS 17 -6.232 15.111 0.341 143 HZ1 LYS 17 3HZ LYS 17 -6.612 17.289 1.370 144 HZ2 LYS 17 1HZ LYS 17 -5.927 18.048 0.031 145 HZ3 LYS 17 2HZ LYS 17 -4.994 17.044 1.017 146 H PHE 18 H PHE 18 -2.159 11.445 -0.864 147 HA PHE 18 HA PHE 18 -2.257 10.529 1.911 148 HB2 PHE 18 2HB PHE 18 -3.862 9.314 -0.347 149 HB3 PHE 18 1HB PHE 18 -3.865 8.822 1.340 150 HD1 PHE 18 2HD PHE 18 -4.984 10.264 3.042 151 HD2 PHE 18 1HD PHE 18 -5.158 11.136 -1.120 152 HE1 PHE 18 2HE PHE 18 -6.891 11.745 3.432 153 HE2 PHE 18 1HE PHE 18 -7.068 12.636 -0.730 154 HZ PHE 18 HZ PHE 18 -7.938 12.941 1.557 155 H CYS 19 H CYS 19 -1.307 8.522 2.190 156 HA CYS 19 HA CYS 19 0.212 7.422 -0.057 157 HB2 CYS 19 2HB CYS 19 0.656 7.172 2.937 158 HB3 CYS 19 1HB CYS 19 1.661 6.449 1.685 159 H TYR 20 H TYR 20 -0.034 5.156 -0.313 160 HA TYR 20 HA TYR 20 -2.217 4.075 1.287 161 HB2 TYR 20 2HB TYR 20 -3.138 2.907 -0.687 162 HB3 TYR 20 1HB TYR 20 -3.215 4.652 -0.834 163 HD1 TYR 20 1HD TYR 20 -1.723 5.808 -2.416 164 HD2 TYR 20 2HD TYR 20 -1.859 1.571 -2.223 165 HE1 TYR 20 1HE TYR 20 -0.657 5.677 -4.625 166 HE2 TYR 20 2HE TYR 20 -0.787 1.429 -4.417 167 HH TYR 20 HH TYR 20 -0.646 2.945 -6.449 168 H HIS 21 H HIS 21 -2.274 1.945 1.629 169 HA HIS 21 HA HIS 21 0.139 0.367 1.027 170 HB2 HIS 21 2HB HIS 21 -0.058 1.238 3.424 171 HB3 HIS 21 1HB HIS 21 -1.554 0.317 3.542 172 HD1 HIS 21 1HD HIS 21 -1.190 -1.869 4.711 173 HD2 HIS 21 2HD HIS 21 2.159 -0.616 2.595 174 HE1 HIS 21 1HE HIS 21 0.587 -3.584 5.148 175 H ASN 22 H ASN 22 -0.545 -1.141 -0.350 176 HA ASN 22 HA ASN 22 -3.363 -1.981 -0.234 177 HB2 ASN 22 2HB ASN 22 -2.335 -1.070 -2.338 178 HB3 ASN 22 1HB ASN 22 -1.354 -2.533 -2.401 179 HD21 ASN 22 1HD2 ASN 22 -4.392 -1.106 -2.941 180 HD22 ASN 22 2HD2 ASN 22 -5.171 -2.474 -3.644 181 H THR 23 H THR 23 -3.574 -3.665 1.052 182 HA THR 23 HA THR 23 -2.109 -6.064 0.464 183 HB THR 23 HB THR 23 -0.639 -4.847 2.130 184 HG1 THR 23 1HG THR 23 -0.091 -6.764 2.740 185 HG21 THR 23 3HG2 THR 23 -1.396 -4.776 4.487 186 HG22 THR 23 1HG2 THR 23 -2.985 -5.348 3.970 187 HG23 THR 23 2HG2 THR 23 -2.409 -3.771 3.441 188 H GLY 24 H GLY 24 -2.989 -7.879 1.654 189 HA2 GLY 24 2HA GLY 24 -4.948 -8.391 3.236 190 HA3 GLY 24 1HA GLY 24 -5.883 -7.554 1.988 191 H MET 25 H MET 25 -4.882 -8.216 -0.147 192 HA MET 25 HA MET 25 -5.533 -10.974 -0.536 193 HB2 MET 25 2HB MET 25 -4.958 -10.534 -2.949 194 HB3 MET 25 1HB MET 25 -6.177 -9.457 -2.288 195 HG2 MET 25 2HG MET 25 -4.453 -7.721 -2.012 196 HG3 MET 25 1HG MET 25 -3.269 -8.811 -2.726 197 HE1 MET 25 3HE MET 25 -6.605 -6.800 -3.340 198 HE2 MET 25 1HE MET 25 -7.061 -8.420 -3.864 199 HE3 MET 25 2HE MET 25 -6.914 -7.121 -5.044 200 HA PRO 26 HA PRO 26 -1.389 -12.301 0.195 201 HB2 PRO 26 2HB PRO 26 -1.760 -14.916 0.015 202 HB3 PRO 26 1HB PRO 26 -2.537 -13.999 1.311 203 HG2 PRO 26 2HG PRO 26 -3.679 -14.915 -1.293 204 HG3 PRO 26 1HG PRO 26 -4.394 -15.049 0.334 205 HD2 PRO 26 2HD PRO 26 -5.016 -13.058 -1.460 206 HD3 PRO 26 1HD PRO 26 -5.092 -12.866 0.316 207 H PHE 27 H PHE 27 0.312 -13.008 -0.926 208 HA PHE 27 HA PHE 27 -0.111 -13.769 -3.718 209 HB2 PHE 27 2HB PHE 27 1.917 -11.774 -2.704 210 HB3 PHE 27 1HB PHE 27 1.973 -12.482 -4.311 211 HD1 PHE 27 2HD PHE 27 0.282 -11.929 -5.959 212 HD2 PHE 27 1HD PHE 27 0.308 -10.088 -2.136 213 HE1 PHE 27 2HE PHE 27 -1.211 -10.170 -6.808 214 HE2 PHE 27 1HE PHE 27 -1.172 -8.317 -2.970 215 HZ PHE 27 HZ PHE 27 -1.941 -8.359 -5.319 216 H ARG 28 H ARG 28 1.069 -15.384 -4.462 217 HA ARG 28 HA ARG 28 2.951 -16.628 -2.586 218 HB2 ARG 28 2HB ARG 28 2.342 -18.786 -3.618 219 HB3 ARG 28 1HB ARG 28 0.955 -17.987 -2.905 220 HG2 ARG 28 2HG ARG 28 0.381 -17.163 -5.218 221 HG3 ARG 28 1HG ARG 28 1.638 -18.240 -5.821 222 HD2 ARG 28 2HD ARG 28 -0.783 -19.042 -4.220 223 HD3 ARG 28 1HD ARG 28 -0.559 -19.291 -5.948 224 HE ARG 28 HE ARG 28 1.575 -20.496 -4.709 225 HH11 ARG 28 1HH1 ARG 28 -1.945 -20.863 -4.709 226 HH12 ARG 28 2HH1 ARG 28 -1.911 -22.526 -4.333 227 HH21 ARG 28 1HH2 ARG 28 1.612 -22.813 -4.179 228 HH22 ARG 28 2HH2 ARG 28 0.139 -23.635 -4.011 229 H ASN 29 H ASN 29 4.948 -17.124 -3.251 230 HA ASN 29 HA ASN 29 6.888 -16.987 -4.376 231 HB2 ASN 29 2HB ASN 29 5.095 -17.662 -6.700 232 HB3 ASN 29 1HB ASN 29 6.813 -17.371 -6.940 233 HD21 ASN 29 1HD2 ASN 29 7.239 -19.427 -7.584 234 HD22 ASN 29 2HD2 ASN 29 7.196 -20.792 -6.529 235 H LEU 30 H LEU 30 5.164 -14.668 -4.022 236 HA LEU 30 HA LEU 30 6.817 -12.709 -5.220 237 HB2 LEU 30 2HB LEU 30 5.317 -13.247 -7.132 238 HB3 LEU 30 1HB LEU 30 3.930 -12.920 -6.119 239 HG LEU 30 HG LEU 30 4.745 -10.555 -5.901 240 HD11 LEU 30 1HD1 LEU 30 6.633 -11.378 -8.090 241 HD12 LEU 30 2HD1 LEU 30 7.070 -10.883 -6.455 242 HD13 LEU 30 3HD1 LEU 30 6.330 -9.724 -7.558 243 HD21 LEU 30 3HD2 LEU 30 2.944 -11.130 -7.414 244 HD22 LEU 30 1HD2 LEU 30 4.108 -11.546 -8.674 245 HD23 LEU 30 2HD2 LEU 30 3.964 -9.879 -8.120 246 H LYS 31 H LYS 31 6.451 -10.764 -4.073 247 HA LYS 31 HA LYS 31 4.147 -10.785 -2.296 248 HB2 LYS 31 2HB LYS 31 6.222 -11.239 -0.984 249 HB3 LYS 31 1HB LYS 31 6.910 -9.745 -1.594 250 HG2 LYS 31 2HG LYS 31 6.105 -9.421 0.666 251 HG3 LYS 31 1HG LYS 31 5.130 -8.477 -0.458 252 HD2 LYS 31 2HD LYS 31 3.381 -10.195 -0.393 253 HD3 LYS 31 1HD LYS 31 4.366 -11.161 0.706 254 HE2 LYS 31 2HE LYS 31 4.275 -9.336 2.356 255 HE3 LYS 31 1HE LYS 31 3.273 -8.401 1.250 256 HZ1 LYS 31 3HZ LYS 31 2.548 -11.006 2.483 257 HZ2 LYS 31 1HZ LYS 31 1.589 -10.164 1.392 258 HZ3 LYS 31 2HZ LYS 31 1.908 -9.496 2.889 259 H LEU 32 H LEU 32 3.023 -9.560 -3.737 260 HA LEU 32 HA LEU 32 4.197 -7.104 -4.691 261 HB2 LEU 32 2HB LEU 32 2.827 -8.477 -6.205 262 HB3 LEU 32 1HB LEU 32 1.457 -8.300 -5.129 263 HG LEU 32 HG LEU 32 1.451 -5.863 -5.584 264 HD11 LEU 32 1HD1 LEU 32 3.581 -6.545 -7.598 265 HD12 LEU 32 2HD1 LEU 32 3.780 -5.542 -6.159 266 HD13 LEU 32 3HD1 LEU 32 2.742 -5.001 -7.475 267 HD21 LEU 32 3HD2 LEU 32 0.549 -6.024 -7.842 268 HD22 LEU 32 1HD2 LEU 32 0.004 -7.371 -6.844 269 HD23 LEU 32 2HD2 LEU 32 1.285 -7.616 -8.033 270 H ILE 33 H ILE 33 4.213 -5.476 -3.327 271 HA ILE 33 HA ILE 33 1.814 -5.031 -1.755 272 HB ILE 33 HB ILE 33 3.484 -5.765 -0.211 273 HG12 ILE 33 2HG1 ILE 33 3.837 -3.774 1.263 274 HG13 ILE 33 1HG1 ILE 33 3.257 -2.766 -0.056 275 HG21 ILE 33 1HG2 ILE 33 5.491 -5.516 -1.466 276 HG22 ILE 33 2HG2 ILE 33 5.677 -4.731 0.102 277 HG23 ILE 33 3HG2 ILE 33 5.398 -3.759 -1.342 278 HD11 ILE 33 3HD1 ILE 33 1.682 -4.910 1.325 279 HD12 ILE 33 1HD1 ILE 33 1.103 -3.856 0.033 280 HD13 ILE 33 2HD1 ILE 33 1.549 -3.171 1.597 281 H LEU 34 H LEU 34 0.809 -3.507 -2.884 282 HA LEU 34 HA LEU 34 2.367 -1.434 -4.140 283 HB2 LEU 34 2HB LEU 34 -0.618 -1.927 -4.192 284 HB3 LEU 34 1HB LEU 34 0.194 -0.642 -5.052 285 HG LEU 34 HG LEU 34 0.625 -3.592 -5.549 286 HD11 LEU 34 1HD1 LEU 34 -0.917 -1.543 -7.132 287 HD12 LEU 34 2HD1 LEU 34 -1.605 -2.883 -6.216 288 HD13 LEU 34 3HD1 LEU 34 -0.599 -3.205 -7.626 289 HD21 LEU 34 3HD2 LEU 34 2.606 -2.274 -6.089 290 HD22 LEU 34 1HD2 LEU 34 1.619 -1.152 -7.030 291 HD23 LEU 34 2HD2 LEU 34 1.809 -2.821 -7.562 292 H GLN 35 H GLN 35 3.161 -0.460 -2.418 293 HA GLN 35 HA GLN 35 1.242 1.191 -0.990 294 HB2 GLN 35 2HB GLN 35 3.045 1.352 0.818 295 HB3 GLN 35 1HB GLN 35 2.233 -0.202 0.640 296 HG2 GLN 35 2HG GLN 35 4.061 -1.043 -0.590 297 HG3 GLN 35 1HG GLN 35 4.844 0.541 -0.520 298 HE21 GLN 35 1HE2 GLN 35 6.621 -0.309 0.493 299 HE22 GLN 35 2HE2 GLN 35 6.596 -0.723 2.190 300 H GLY 36 H GLY 36 1.212 3.115 -1.834 301 HA2 GLY 36 2HA GLY 36 3.756 4.396 -2.439 302 HA3 GLY 36 1HA GLY 36 2.603 4.219 -3.756 303 H CYS 37 H CYS 37 2.338 6.400 -4.026 304 HA CYS 37 HA CYS 37 1.080 7.853 -1.799 305 HB2 CYS 37 2HB CYS 37 2.738 9.044 -4.027 306 HB3 CYS 37 1HB CYS 37 2.166 9.841 -2.564 307 H SER 38 H SER 38 -0.870 8.899 -2.368 308 HA SER 38 HA SER 38 -1.592 8.822 -5.188 309 HB2 SER 38 2HB SER 38 -2.596 6.825 -4.192 310 HB3 SER 38 1HB SER 38 -3.347 7.807 -2.935 311 HG SER 38 HG SER 38 -4.281 7.234 -5.374 312 H SER 39 H SER 39 -3.211 10.262 -5.777 313 HA SER 39 HA SER 39 -3.228 12.728 -4.322 314 HB2 SER 39 2HB SER 39 -3.029 12.543 -6.826 315 HB3 SER 39 1HB SER 39 -4.685 11.947 -6.865 316 HG SER 39 HG SER 39 -3.921 14.404 -5.720 317 H SER 40 H SER 40 -5.213 9.900 -4.536 318 HA SER 40 HA SER 40 -7.308 11.300 -3.100 319 HB2 SER 40 2HB SER 40 -8.848 9.599 -4.350 320 HB3 SER 40 1HB SER 40 -8.327 11.078 -5.163 321 HG SER 40 HG SER 40 -7.464 8.427 -5.521 322 H CYS 41 H CYS 41 -8.845 9.586 -2.034 323 HA CYS 41 HA CYS 41 -7.140 7.527 -0.853 324 HB2 CYS 41 2HB CYS 41 -7.296 9.511 0.586 325 HB3 CYS 41 1HB CYS 41 -9.042 9.401 0.568 326 H SER 42 H SER 42 -8.012 5.782 -1.714 327 HA SER 42 HA SER 42 -10.902 5.434 -1.707 328 HB2 SER 42 2HB SER 42 -8.715 3.676 -2.839 329 HB3 SER 42 1HB SER 42 -10.453 3.491 -3.107 330 HG SER 42 HG SER 42 -10.153 5.853 -3.794 331 H GLU 43 H GLU 43 -11.421 5.006 0.340 332 HA GLU 43 HA GLU 43 -9.723 3.503 2.060 333 HB2 GLU 43 2HB GLU 43 -12.441 4.720 2.484 334 HB3 GLU 43 1HB GLU 43 -11.479 3.954 3.741 335 HG2 GLU 43 2HG GLU 43 -9.722 5.584 3.428 336 HG3 GLU 43 1HG GLU 43 -10.635 6.336 2.125 337 H THR 44 H THR 44 -9.599 1.436 1.727 338 HA THR 44 HA THR 44 -12.040 -0.137 1.901 339 HB THR 44 HB THR 44 -10.984 -1.784 0.300 340 HG1 THR 44 1HG THR 44 -9.165 0.340 0.061 341 HG21 THR 44 3HG2 THR 44 -11.504 -0.573 -1.782 342 HG22 THR 44 1HG2 THR 44 -11.523 0.945 -0.885 343 HG23 THR 44 2HG2 THR 44 -12.731 -0.297 -0.548 344 H GLU 45 H GLU 45 -11.167 -2.546 2.398 345 HA GLU 45 HA GLU 45 -9.383 -2.176 4.621 346 HB2 GLU 45 2HB GLU 45 -11.365 -3.721 4.741 347 HB3 GLU 45 1HB GLU 45 -10.553 -4.778 3.593 348 HG2 GLU 45 2HG GLU 45 -8.704 -5.070 5.178 349 HG3 GLU 45 1HG GLU 45 -9.537 -4.034 6.330 350 H ASN 46 H ASN 46 -9.258 -3.354 1.375 351 HA ASN 46 HA ASN 46 -6.674 -4.572 1.723 352 HB2 ASN 46 2HB ASN 46 -8.291 -5.485 0.096 353 HB3 ASN 46 1HB ASN 46 -8.184 -3.993 -0.837 354 HD21 ASN 46 1HD2 ASN 46 -6.409 -3.672 -2.132 355 HD22 ASN 46 2HD2 ASN 46 -5.206 -4.863 -2.427 356 H ASN 47 H ASN 47 -7.890 -1.573 0.126 357 HA ASN 47 HA ASN 47 -5.119 -0.714 -0.039 358 HB2 ASN 47 2HB ASN 47 -6.328 -0.629 -2.125 359 HB3 ASN 47 1HB ASN 47 -7.628 0.316 -1.396 360 HD21 ASN 47 1HD2 ASN 47 -7.224 2.507 -0.906 361 HD22 ASN 47 2HD2 ASN 47 -5.897 3.343 -1.608 362 H LYS 48 H LYS 48 -4.588 0.231 1.710 363 HA LYS 48 HA LYS 48 -6.534 1.802 3.253 364 HB2 LYS 48 2HB LYS 48 -3.794 0.784 4.015 365 HB3 LYS 48 1HB LYS 48 -4.938 1.574 5.093 366 HG2 LYS 48 2HG LYS 48 -6.495 -0.256 4.819 367 HG3 LYS 48 1HG LYS 48 -5.400 -1.047 3.688 368 HD2 LYS 48 2HD LYS 48 -3.727 -1.240 5.467 369 HD3 LYS 48 1HD LYS 48 -4.845 -0.457 6.590 370 HE2 LYS 48 2HE LYS 48 -6.444 -2.281 6.284 371 HE3 LYS 48 1HE LYS 48 -5.360 -3.046 5.132 372 HZ1 LYS 48 3HZ LYS 48 -3.772 -3.394 6.854 373 HZ2 LYS 48 1HZ LYS 48 -5.236 -4.039 7.333 374 HZ3 LYS 48 2HZ LYS 48 -4.693 -2.575 7.991 375 H CYS 49 H CYS 49 -6.450 3.964 3.023 376 HA CYS 49 HA CYS 49 -3.908 5.121 2.179 377 HB2 CYS 49 2HB CYS 49 -5.389 7.059 1.355 378 HB3 CYS 49 1HB CYS 49 -5.392 5.562 0.430 379 H CYS 50 H CYS 50 -2.945 6.605 3.317 380 HA CYS 50 HA CYS 50 -4.238 7.747 5.676 381 HB2 CYS 50 2HB CYS 50 -2.120 7.083 6.918 382 HB3 CYS 50 1HB CYS 50 -3.221 5.767 6.506 383 H SER 51 H SER 51 -3.023 9.663 6.511 384 HA SER 51 HA SER 51 -1.281 10.842 4.453 385 HB2 SER 51 2HB SER 51 -3.259 12.214 6.281 386 HB3 SER 51 1HB SER 51 -2.188 13.032 5.139 387 HG SER 51 HG SER 51 -3.222 11.966 3.492 388 H THR 52 H THR 52 -0.374 9.290 6.873 389 HA THR 52 HA THR 52 1.039 11.474 8.204 390 HB THR 52 HB THR 52 1.501 9.550 9.939 391 HG1 THR 52 1HG THR 52 -1.080 8.760 9.175 392 HG21 THR 52 3HG2 THR 52 0.348 11.590 10.526 393 HG22 THR 52 1HG2 THR 52 -0.519 10.219 11.204 394 HG23 THR 52 2HG2 THR 52 -1.132 11.020 9.754 395 H ASP 53 H ASP 53 3.234 11.230 8.693 396 HA ASP 53 HA ASP 53 4.952 10.308 6.781 397 HB2 ASP 53 2HB ASP 53 6.072 11.698 8.137 398 HB3 ASP 53 1HB ASP 53 5.226 11.177 9.599 399 H ARG 54 H ARG 54 5.318 8.433 6.004 400 HA ARG 54 HA ARG 54 5.706 6.198 5.718 401 HB2 ARG 54 2HB ARG 54 6.796 6.619 8.481 402 HB3 ARG 54 1HB ARG 54 7.031 5.146 7.546 403 HG2 ARG 54 2HG ARG 54 8.251 6.320 5.865 404 HG3 ARG 54 1HG ARG 54 7.838 7.875 6.583 405 HD2 ARG 54 2HD ARG 54 9.464 5.743 7.943 406 HD3 ARG 54 1HD ARG 54 10.133 7.166 7.133 407 HE ARG 54 HE ARG 54 8.509 8.363 8.733 408 HH11 ARG 54 1HH1 ARG 54 10.704 5.688 9.486 409 HH12 ARG 54 2HH1 ARG 54 10.732 6.008 11.152 410 HH21 ARG 54 1HH2 ARG 54 8.518 8.777 10.947 411 HH22 ARG 54 2HH2 ARG 54 9.449 7.821 12.043 412 H CYS 55 H CYS 55 3.080 6.921 6.637 413 HA CYS 55 HA CYS 55 2.194 5.079 8.592 414 HB2 CYS 55 2HB CYS 55 -0.053 5.645 7.800 415 HB3 CYS 55 1HB CYS 55 0.934 7.082 8.043 416 H ASN 56 H ASN 56 2.888 4.755 5.232 417 HA ASN 56 HA ASN 56 1.322 2.362 5.006 418 HB2 ASN 56 2HB ASN 56 1.996 2.270 2.648 419 HB3 ASN 56 1HB ASN 56 1.395 3.865 3.049 420 HD21 ASN 56 1HD2 ASN 56 2.908 3.209 0.839 421 HD22 ASN 56 2HD2 ASN 56 4.441 3.994 0.900 422 H LYS 57 H LYS 57 2.349 1.460 6.714 423 HA LYS 57 HA LYS 57 4.757 0.004 6.024 424 HB2 LYS 57 2HB LYS 57 5.595 0.314 8.350 425 HB3 LYS 57 1HB LYS 57 5.446 1.833 7.474 426 HG2 LYS 57 2HG LYS 57 3.365 2.319 8.625 427 HG3 LYS 57 1HG LYS 57 3.478 0.804 9.509 428 HD2 LYS 57 2HD LYS 57 5.582 1.596 10.527 429 HD3 LYS 57 1HD LYS 57 5.400 3.125 9.659 430 HE2 LYS 57 2HE LYS 57 3.184 3.405 10.773 431 HE3 LYS 57 1HE LYS 57 3.541 1.975 11.728 432 HZ1 LYS 57 3HZ LYS 57 4.078 3.998 12.933 433 HZ2 LYS 57 1HZ LYS 57 5.098 4.489 11.700 434 HZ3 LYS 57 2HZ LYS 57 5.496 3.137 12.629 Start of MODEL 13 1 H1 LEU 1 1HT LEU 1 3.521 15.206 2.392 2 H2 LEU 1 2HT LEU 1 4.155 14.533 0.964 3 H3 LEU 1 3HT LEU 1 5.189 15.130 2.135 4 HA LEU 1 HA LEU 1 4.625 13.446 3.633 5 HB2 LEU 1 2HB LEU 1 2.705 12.627 1.485 6 HB3 LEU 1 1HB LEU 1 3.274 11.515 2.707 7 HG LEU 1 HG LEU 1 1.680 14.024 3.200 8 HD11 LEU 1 2HD1 LEU 1 -0.032 12.417 3.917 9 HD12 LEU 1 3HD1 LEU 1 1.049 11.097 3.449 10 HD13 LEU 1 1HD1 LEU 1 0.411 12.184 2.218 11 HD21 LEU 1 1HD2 LEU 1 2.825 11.949 5.043 12 HD22 LEU 1 2HD2 LEU 1 1.625 13.147 5.531 13 HD23 LEU 1 3HD2 LEU 1 3.233 13.661 5.010 14 H LYS 2 H LYS 2 6.301 12.263 3.743 15 HA LYS 2 HA LYS 2 7.155 11.056 1.281 16 HB2 LYS 2 2HB LYS 2 9.406 10.787 2.441 17 HB3 LYS 2 1HB LYS 2 8.932 12.439 2.066 18 HG2 LYS 2 2HG LYS 2 8.099 12.620 4.404 19 HG3 LYS 2 1HG LYS 2 8.839 11.053 4.719 20 HD2 LYS 2 2HD LYS 2 11.006 11.905 4.280 21 HD3 LYS 2 1HD LYS 2 10.350 13.420 3.649 22 HE2 LYS 2 2HE LYS 2 10.090 12.417 6.476 23 HE3 LYS 2 1HE LYS 2 11.172 13.700 5.931 24 HZ1 LYS 2 3HZ LYS 2 9.259 15.025 5.320 25 HZ2 LYS 2 1HZ LYS 2 9.127 14.574 6.931 26 HZ3 LYS 2 2HZ LYS 2 8.187 13.808 5.760 27 H CYS 3 H CYS 3 6.875 8.974 1.083 28 HA CYS 3 HA CYS 3 6.429 7.409 3.487 29 HB2 CYS 3 2HB CYS 3 4.488 7.736 1.208 30 HB3 CYS 3 1HB CYS 3 4.403 6.379 2.329 31 H PHE 4 H PHE 4 6.166 4.980 2.957 32 HA PHE 4 HA PHE 4 8.625 4.340 1.553 33 HB2 PHE 4 2HB PHE 4 6.756 2.516 3.074 34 HB3 PHE 4 1HB PHE 4 8.347 2.098 2.469 35 HD1 PHE 4 2HD PHE 4 10.334 3.396 3.436 36 HD2 PHE 4 1HD PHE 4 6.470 3.338 5.190 37 HE1 PHE 4 2HE PHE 4 11.303 4.073 5.584 38 HE2 PHE 4 1HE PHE 4 7.433 4.013 7.346 39 HZ PHE 4 HZ PHE 4 9.856 4.376 7.549 40 H GLN 5 H GLN 5 7.919 4.714 -0.544 41 HA GLN 5 HA GLN 5 5.775 3.065 -1.606 42 HB2 GLN 5 2HB GLN 5 6.203 5.323 -2.494 43 HB3 GLN 5 1HB GLN 5 7.756 4.768 -3.098 44 HG2 GLN 5 2HG GLN 5 6.634 3.207 -4.590 45 HG3 GLN 5 1HG GLN 5 5.070 3.723 -3.966 46 HE21 GLN 5 1HE2 GLN 5 7.773 5.864 -4.589 47 HE22 GLN 5 2HE2 GLN 5 6.999 6.723 -5.871 48 H HIS 6 H HIS 6 9.268 3.125 -1.803 49 HA HIS 6 HA HIS 6 9.251 0.567 -3.278 50 HB2 HIS 6 2HB HIS 6 11.481 2.580 -2.898 51 HB3 HIS 6 1HB HIS 6 11.622 1.085 -3.805 52 HD1 HIS 6 1HD HIS 6 11.843 4.216 -4.794 53 HD2 HIS 6 2HD HIS 6 8.863 1.431 -5.576 54 HE1 HIS 6 1HE HIS 6 10.751 4.945 -6.958 55 H GLY 7 H GLY 7 8.840 1.071 -0.378 56 HA2 GLY 7 2HA GLY 7 9.450 -0.114 1.558 57 HA3 GLY 7 1HA GLY 7 10.887 -0.694 0.713 58 H LYS 8 H LYS 8 11.324 1.983 -0.217 59 HA LYS 8 HA LYS 8 12.725 3.081 2.087 60 HB2 LYS 8 2HB LYS 8 13.176 3.363 -0.887 61 HB3 LYS 8 1HB LYS 8 14.151 4.157 0.347 62 HG2 LYS 8 2HG LYS 8 14.886 1.995 1.196 63 HG3 LYS 8 1HG LYS 8 13.835 1.177 0.050 64 HD2 LYS 8 2HD LYS 8 16.060 3.020 -0.792 65 HD3 LYS 8 1HD LYS 8 16.290 1.291 -0.561 66 HE2 LYS 8 2HE LYS 8 14.297 2.517 -2.483 67 HE3 LYS 8 1HE LYS 8 15.896 1.936 -2.933 68 HZ1 LYS 8 3HZ LYS 8 15.227 -0.274 -2.146 69 HZ2 LYS 8 1HZ LYS 8 14.281 0.254 -3.415 70 HZ3 LYS 8 2HZ LYS 8 13.678 0.245 -1.840 71 H VAL 9 H VAL 9 12.739 5.399 2.224 72 HA VAL 9 HA VAL 9 10.115 6.490 2.010 73 HB VAL 9 HB VAL 9 12.686 7.869 2.796 74 HG11 VAL 9 1HG1 VAL 9 9.824 8.573 3.379 75 HG12 VAL 9 2HG1 VAL 9 10.935 9.426 2.304 76 HG13 VAL 9 3HG1 VAL 9 11.236 9.398 4.042 77 HG21 VAL 9 3HG2 VAL 9 12.346 5.919 4.199 78 HG22 VAL 9 1HG2 VAL 9 10.696 6.433 4.542 79 HG23 VAL 9 2HG2 VAL 9 12.054 7.394 5.121 80 H VAL 10 H VAL 10 9.320 7.430 0.215 81 HA VAL 10 HA VAL 10 11.188 8.911 -1.499 82 HB VAL 10 HB VAL 10 9.676 8.587 -3.379 83 HG11 VAL 10 1HG1 VAL 10 10.245 5.968 -2.017 84 HG12 VAL 10 2HG1 VAL 10 11.333 6.870 -3.073 85 HG13 VAL 10 3HG1 VAL 10 9.850 6.168 -3.725 86 HG21 VAL 10 3HG2 VAL 10 7.674 7.171 -3.241 87 HG22 VAL 10 1HG2 VAL 10 7.546 8.580 -2.191 88 HG23 VAL 10 2HG2 VAL 10 7.919 7.001 -1.503 89 H THR 11 H THR 11 10.435 10.956 -2.283 90 HA THR 11 HA THR 11 8.591 12.171 -0.420 91 HB THR 11 HB THR 11 10.249 13.482 -2.595 92 HG1 THR 11 1HG THR 11 11.747 12.740 -1.249 93 HG21 THR 11 3HG2 THR 11 9.909 15.518 -1.247 94 HG22 THR 11 1HG2 THR 11 8.918 14.601 -0.115 95 HG23 THR 11 2HG2 THR 11 8.366 14.843 -1.771 96 H CYS 12 H CYS 12 6.568 11.785 -0.986 97 HA CYS 12 HA CYS 12 5.653 11.552 -3.683 98 HB2 CYS 12 2HB CYS 12 4.121 11.799 -1.086 99 HB3 CYS 12 1HB CYS 12 3.529 11.124 -2.609 100 H HIS 13 H HIS 13 4.442 13.050 -4.830 101 HA HIS 13 HA HIS 13 5.263 15.727 -4.405 102 HB2 HIS 13 2HB HIS 13 4.701 14.533 -6.632 103 HB3 HIS 13 1HB HIS 13 3.028 14.914 -6.258 104 HD1 HIS 13 1HD HIS 13 2.224 17.224 -7.123 105 HD2 HIS 13 2HD HIS 13 6.372 16.886 -6.873 106 HE1 HIS 13 1HE HIS 13 3.147 19.349 -8.009 107 H ARG 14 H ARG 14 3.728 17.567 -4.338 108 HA ARG 14 HA ARG 14 2.239 17.602 -1.989 109 HB2 ARG 14 2HB ARG 14 2.131 19.463 -4.333 110 HB3 ARG 14 1HB ARG 14 1.231 19.745 -2.854 111 HG2 ARG 14 2HG ARG 14 3.370 19.774 -1.619 112 HG3 ARG 14 1HG ARG 14 4.219 19.594 -3.155 113 HD2 ARG 14 2HD ARG 14 3.209 21.669 -3.960 114 HD3 ARG 14 1HD ARG 14 2.348 21.845 -2.437 115 HE ARG 14 HE ARG 14 5.077 21.591 -1.932 116 HH11 ARG 14 1HH1 ARG 14 2.774 23.953 -3.212 117 HH12 ARG 14 2HH1 ARG 14 3.719 25.305 -2.825 118 HH21 ARG 14 1HH2 ARG 14 6.358 23.433 -1.374 119 HH22 ARG 14 2HH2 ARG 14 5.821 25.000 -1.767 120 H ASP 15 H ASP 15 1.179 16.506 -5.070 121 HA ASP 15 HA ASP 15 -1.624 17.000 -4.708 122 HB2 ASP 15 2HB ASP 15 -0.262 14.924 -6.442 123 HB3 ASP 15 1HB ASP 15 -1.948 15.395 -6.546 124 H MET 16 H MET 16 0.619 14.700 -3.643 125 HA MET 16 HA MET 16 -1.339 12.661 -3.116 126 HB2 MET 16 2HB MET 16 1.653 12.769 -3.034 127 HB3 MET 16 1HB MET 16 0.832 11.440 -2.266 128 HG2 MET 16 2HG MET 16 1.487 10.803 -4.435 129 HG3 MET 16 1HG MET 16 -0.265 10.908 -4.355 130 HE1 MET 16 3HE MET 16 -0.712 10.956 -6.753 131 HE2 MET 16 1HE MET 16 0.996 10.616 -7.007 132 HE3 MET 16 2HE MET 16 0.192 11.866 -7.986 133 H LYS 17 H LYS 17 -2.581 13.134 -1.513 134 HA LYS 17 HA LYS 17 -1.465 14.207 0.963 135 HB2 LYS 17 2HB LYS 17 -4.267 13.890 -0.044 136 HB3 LYS 17 1HB LYS 17 -3.911 14.352 1.611 137 HG2 LYS 17 2HG LYS 17 -2.717 16.344 0.715 138 HG3 LYS 17 1HG LYS 17 -3.252 15.872 -0.899 139 HD2 LYS 17 2HD LYS 17 -5.547 16.090 -0.299 140 HD3 LYS 17 1HD LYS 17 -5.146 16.300 1.402 141 HE2 LYS 17 2HE LYS 17 -4.441 18.203 -0.831 142 HE3 LYS 17 1HE LYS 17 -5.753 18.410 0.325 143 HZ1 LYS 17 3HZ LYS 17 -4.096 18.510 2.117 144 HZ2 LYS 17 1HZ LYS 17 -3.822 19.698 0.957 145 HZ3 LYS 17 2HZ LYS 17 -2.852 18.335 0.992 146 H PHE 18 H PHE 18 -2.302 11.235 -0.379 147 HA PHE 18 HA PHE 18 -2.659 10.091 2.304 148 HB2 PHE 18 2HB PHE 18 -4.145 9.246 -0.190 149 HB3 PHE 18 1HB PHE 18 -4.276 8.501 1.394 150 HD1 PHE 18 2HD PHE 18 -5.501 9.609 3.184 151 HD2 PHE 18 1HD PHE 18 -5.200 11.344 -0.689 152 HE1 PHE 18 2HE PHE 18 -7.328 11.149 3.731 153 HE2 PHE 18 1HE PHE 18 -7.014 12.880 -0.160 154 HZ PHE 18 HZ PHE 18 -8.096 12.792 2.064 155 H CYS 19 H CYS 19 -1.089 8.699 2.674 156 HA CYS 19 HA CYS 19 0.223 7.418 0.444 157 HB2 CYS 19 2HB CYS 19 0.725 7.124 3.433 158 HB3 CYS 19 1HB CYS 19 1.739 6.504 2.126 159 H TYR 20 H TYR 20 -0.230 5.349 -0.131 160 HA TYR 20 HA TYR 20 -2.480 4.205 1.349 161 HB2 TYR 20 2HB TYR 20 -3.349 3.271 -0.706 162 HB3 TYR 20 1HB TYR 20 -3.130 5.001 -0.891 163 HD1 TYR 20 1HD TYR 20 -1.852 1.671 -1.897 164 HD2 TYR 20 2HD TYR 20 -1.611 5.858 -2.537 165 HE1 TYR 20 1HE TYR 20 -0.598 1.264 -3.953 166 HE2 TYR 20 2HE TYR 20 -0.356 5.473 -4.607 167 HH TYR 20 HH TYR 20 1.101 3.692 -5.554 168 H HIS 21 H HIS 21 -2.714 1.996 1.364 169 HA HIS 21 HA HIS 21 -0.372 0.415 0.692 170 HB2 HIS 21 2HB HIS 21 -0.215 0.769 3.120 171 HB3 HIS 21 1HB HIS 21 -1.891 0.291 3.321 172 HD1 HIS 21 1HD HIS 21 -0.962 -1.554 5.041 173 HD2 HIS 21 2HD HIS 21 0.221 -2.072 1.093 174 HE1 HIS 21 1HE HIS 21 -0.073 -3.895 4.878 175 H ASN 22 H ASN 22 -1.212 -0.542 -0.951 176 HA ASN 22 HA ASN 22 -3.826 -1.793 -0.762 177 HB2 ASN 22 2HB ASN 22 -3.377 -0.535 -2.786 178 HB3 ASN 22 1HB ASN 22 -1.862 -1.347 -3.058 179 HD21 ASN 22 1HD2 ASN 22 -2.842 -4.074 -2.776 180 HD22 ASN 22 2HD2 ASN 22 -3.956 -4.354 -4.063 181 H THR 23 H THR 23 -3.580 -3.450 0.518 182 HA THR 23 HA THR 23 -1.115 -4.949 0.506 183 HB THR 23 HB THR 23 -2.028 -4.370 2.668 184 HG1 THR 23 1HG THR 23 -1.768 -6.999 1.902 185 HG21 THR 23 3HG2 THR 23 -4.397 -4.243 2.110 186 HG22 THR 23 1HG2 THR 23 -4.145 -5.312 3.488 187 HG23 THR 23 2HG2 THR 23 -4.456 -5.990 1.886 188 H GLY 24 H GLY 24 -4.175 -5.191 -0.949 189 HA2 GLY 24 2HA GLY 24 -4.975 -6.698 -2.418 190 HA3 GLY 24 1HA GLY 24 -3.413 -7.511 -2.366 191 H MET 25 H MET 25 -4.271 -9.507 -2.314 192 HA MET 25 HA MET 25 -6.032 -10.265 -0.154 193 HB2 MET 25 2HB MET 25 -4.627 -11.897 -2.289 194 HB3 MET 25 1HB MET 25 -5.674 -12.595 -1.064 195 HG2 MET 25 2HG MET 25 -7.551 -11.293 -1.920 196 HG3 MET 25 1HG MET 25 -6.499 -10.576 -3.137 197 HE1 MET 25 3HE MET 25 -8.277 -11.300 -4.984 198 HE2 MET 25 1HE MET 25 -9.281 -12.054 -3.745 199 HE3 MET 25 2HE MET 25 -8.846 -12.956 -5.198 200 HA PRO 26 HA PRO 26 -2.745 -11.139 2.668 201 HB2 PRO 26 2HB PRO 26 -3.857 -13.135 4.141 202 HB3 PRO 26 1HB PRO 26 -4.348 -11.444 4.297 203 HG2 PRO 26 2HG PRO 26 -5.620 -13.639 2.711 204 HG3 PRO 26 1HG PRO 26 -6.400 -12.461 3.789 205 HD2 PRO 26 2HD PRO 26 -6.399 -12.145 1.126 206 HD3 PRO 26 1HD PRO 26 -6.233 -10.754 2.217 207 H PHE 27 H PHE 27 -1.023 -12.070 1.788 208 HA PHE 27 HA PHE 27 -1.186 -14.878 1.032 209 HB2 PHE 27 2HB PHE 27 0.813 -12.746 0.280 210 HB3 PHE 27 1HB PHE 27 1.097 -14.465 0.032 211 HD1 PHE 27 1HD PHE 27 -1.238 -11.714 -0.868 212 HD2 PHE 27 2HD PHE 27 0.343 -15.529 -1.869 213 HE1 PHE 27 1HE PHE 27 -2.354 -11.599 -3.048 214 HE2 PHE 27 2HE PHE 27 -0.782 -15.424 -4.051 215 HZ PHE 27 HZ PHE 27 -2.135 -13.457 -4.644 216 H ARG 28 H ARG 28 0.172 -16.355 1.899 217 HA ARG 28 HA ARG 28 1.324 -15.646 4.466 218 HB2 ARG 28 2HB ARG 28 1.716 -18.087 4.710 219 HB3 ARG 28 1HB ARG 28 0.036 -17.702 4.390 220 HG2 ARG 28 2HG ARG 28 0.360 -18.340 2.033 221 HG3 ARG 28 1HG ARG 28 2.031 -18.762 2.398 222 HD2 ARG 28 2HD ARG 28 0.560 -20.719 2.366 223 HD3 ARG 28 1HD ARG 28 1.285 -20.462 3.954 224 HE ARG 28 HE ARG 28 -1.322 -19.296 3.577 225 HH11 ARG 28 1HH1 ARG 28 0.425 -22.207 4.560 226 HH12 ARG 28 2HH1 ARG 28 -0.747 -22.722 5.669 227 HH21 ARG 28 1HH2 ARG 28 -2.970 -20.023 5.048 228 HH22 ARG 28 2HH2 ARG 28 -2.740 -21.460 5.920 229 H ASN 29 H ASN 29 3.418 -15.300 4.797 230 HA ASN 29 HA ASN 29 5.666 -15.142 4.564 231 HB2 ASN 29 2HB ASN 29 5.653 -17.592 4.232 232 HB3 ASN 29 1HB ASN 29 5.340 -17.368 2.521 233 HD21 ASN 29 1HD2 ASN 29 7.708 -17.156 5.057 234 HD22 ASN 29 2HD2 ASN 29 9.091 -17.084 4.037 235 H LEU 30 H LEU 30 3.580 -14.248 2.247 236 HA LEU 30 HA LEU 30 5.648 -12.885 0.677 237 HB2 LEU 30 2HB LEU 30 4.507 -14.628 -0.647 238 HB3 LEU 30 1HB LEU 30 2.961 -13.951 -0.230 239 HG LEU 30 HG LEU 30 4.951 -12.381 -1.897 240 HD11 LEU 30 1HD1 LEU 30 4.575 -14.554 -2.977 241 HD12 LEU 30 2HD1 LEU 30 3.805 -13.244 -3.873 242 HD13 LEU 30 3HD1 LEU 30 2.833 -14.307 -2.854 243 HD21 LEU 30 3HD2 LEU 30 3.019 -11.152 -0.983 244 HD22 LEU 30 1HD2 LEU 30 1.933 -12.320 -1.740 245 HD23 LEU 30 2HD2 LEU 30 2.948 -11.281 -2.741 246 H LYS 31 H LYS 31 5.611 -10.798 0.905 247 HA LYS 31 HA LYS 31 3.194 -9.554 1.963 248 HB2 LYS 31 2HB LYS 31 6.009 -8.455 1.726 249 HB3 LYS 31 1HB LYS 31 4.644 -7.606 2.420 250 HG2 LYS 31 2HG LYS 31 5.881 -10.130 3.509 251 HG3 LYS 31 1HG LYS 31 6.125 -8.502 4.139 252 HD2 LYS 31 2HD LYS 31 3.666 -8.375 4.561 253 HD3 LYS 31 1HD LYS 31 3.547 -10.066 4.073 254 HE2 LYS 31 2HE LYS 31 5.092 -10.686 5.871 255 HE3 LYS 31 1HE LYS 31 5.200 -8.999 6.353 256 HZ1 LYS 31 3HZ LYS 31 3.636 -10.066 7.774 257 HZ2 LYS 31 1HZ LYS 31 2.781 -10.720 6.472 258 HZ3 LYS 31 2HZ LYS 31 2.765 -9.070 6.731 259 H LEU 32 H LEU 32 1.898 -9.059 0.336 260 HA LEU 32 HA LEU 32 2.951 -8.101 -2.173 261 HB2 LEU 32 2HB LEU 32 0.960 -9.604 -1.982 262 HB3 LEU 32 1HB LEU 32 0.074 -8.318 -1.191 263 HG LEU 32 HG LEU 32 1.071 -8.208 -4.065 264 HD11 LEU 32 1HD1 LEU 32 -1.669 -8.851 -2.994 265 HD12 LEU 32 2HD1 LEU 32 -0.572 -9.966 -3.809 266 HD13 LEU 32 3HD1 LEU 32 -1.260 -8.604 -4.691 267 HD21 LEU 32 3HD2 LEU 32 0.694 -5.984 -3.063 268 HD22 LEU 32 1HD2 LEU 32 -0.940 -6.470 -2.613 269 HD23 LEU 32 2HD2 LEU 32 -0.498 -6.340 -4.315 270 H ILE 33 H ILE 33 3.674 -6.111 -2.194 271 HA ILE 33 HA ILE 33 2.455 -4.232 -0.347 272 HB ILE 33 HB ILE 33 5.384 -4.553 -1.009 273 HG12 ILE 33 2HG1 ILE 33 4.500 -6.010 0.753 274 HG13 ILE 33 1HG1 ILE 33 5.635 -4.833 1.405 275 HG21 ILE 33 1HG2 ILE 33 4.101 -2.305 0.541 276 HG22 ILE 33 2HG2 ILE 33 4.874 -2.157 -1.036 277 HG23 ILE 33 3HG2 ILE 33 5.831 -2.590 0.385 278 HD11 ILE 33 3HD1 ILE 33 2.621 -4.732 1.598 279 HD12 ILE 33 1HD1 ILE 33 3.714 -3.460 2.136 280 HD13 ILE 33 2HD1 ILE 33 3.764 -5.047 2.908 281 H LEU 34 H LEU 34 1.136 -3.254 -1.630 282 HA LEU 34 HA LEU 34 2.422 -1.607 -3.651 283 HB2 LEU 34 2HB LEU 34 -0.423 -2.474 -3.332 284 HB3 LEU 34 1HB LEU 34 0.033 -1.184 -4.451 285 HG LEU 34 HG LEU 34 0.835 -4.089 -4.548 286 HD11 LEU 34 1HD1 LEU 34 -0.549 -4.166 -6.568 287 HD12 LEU 34 2HD1 LEU 34 -1.019 -2.487 -6.303 288 HD13 LEU 34 3HD1 LEU 34 -1.493 -3.729 -5.144 289 HD21 LEU 34 3HD2 LEU 34 1.471 -1.840 -6.462 290 HD22 LEU 34 1HD2 LEU 34 1.805 -3.549 -6.748 291 HD23 LEU 34 2HD2 LEU 34 2.622 -2.704 -5.439 292 H GLN 35 H GLN 35 3.227 -0.678 -1.681 293 HA GLN 35 HA GLN 35 1.353 1.182 -0.446 294 HB2 GLN 35 2HB GLN 35 4.160 0.366 0.318 295 HB3 GLN 35 1HB GLN 35 3.266 1.648 1.121 296 HG2 GLN 35 2HG GLN 35 1.558 0.053 1.780 297 HG3 GLN 35 1HG GLN 35 2.442 -1.241 0.989 298 HE21 GLN 35 1HE2 GLN 35 5.029 -0.208 1.877 299 HE22 GLN 35 2HE2 GLN 35 5.124 -0.538 3.564 300 H GLY 36 H GLY 36 1.216 3.065 -1.350 301 HA2 GLY 36 2HA GLY 36 3.652 4.362 -2.302 302 HA3 GLY 36 1HA GLY 36 2.336 4.140 -3.453 303 H CYS 37 H CYS 37 2.094 6.360 -3.681 304 HA CYS 37 HA CYS 37 0.628 7.570 -1.471 305 HB2 CYS 37 2HB CYS 37 2.723 8.947 -3.172 306 HB3 CYS 37 1HB CYS 37 1.640 9.746 -2.044 307 H SER 38 H SER 38 -1.207 8.591 -2.060 308 HA SER 38 HA SER 38 -1.795 8.821 -4.934 309 HB2 SER 38 2HB SER 38 -2.750 6.716 -3.969 310 HB3 SER 38 1HB SER 38 -3.641 7.684 -2.800 311 HG SER 38 HG SER 38 -5.071 8.109 -4.289 312 H SER 39 H SER 39 -3.201 10.499 -5.464 313 HA SER 39 HA SER 39 -3.196 12.783 -3.800 314 HB2 SER 39 2HB SER 39 -4.907 12.187 -6.219 315 HB3 SER 39 1HB SER 39 -4.490 13.779 -5.573 316 HG SER 39 HG SER 39 -2.290 13.232 -5.985 317 H SER 40 H SER 40 -5.759 10.563 -4.746 318 HA SER 40 HA SER 40 -7.227 11.456 -2.372 319 HB2 SER 40 2HB SER 40 -8.332 10.394 -4.994 320 HB3 SER 40 1HB SER 40 -9.298 10.829 -3.582 321 HG SER 40 HG SER 40 -7.760 12.904 -4.099 322 H CYS 41 H CYS 41 -8.409 9.726 -1.287 323 HA CYS 41 HA CYS 41 -6.801 7.366 -1.195 324 HB2 CYS 41 2HB CYS 41 -7.561 8.305 0.885 325 HB3 CYS 41 1HB CYS 41 -9.237 8.219 0.352 326 H SER 42 H SER 42 -7.283 5.379 -1.885 327 HA SER 42 HA SER 42 -9.673 4.970 -3.441 328 HB2 SER 42 2HB SER 42 -7.518 4.079 -4.243 329 HB3 SER 42 1HB SER 42 -7.379 3.123 -2.759 330 HG SER 42 HG SER 42 -9.525 2.862 -4.612 331 H GLU 43 H GLU 43 -11.397 4.333 -2.448 332 HA GLU 43 HA GLU 43 -11.153 3.473 0.289 333 HB2 GLU 43 2HB GLU 43 -13.537 4.512 -1.210 334 HB3 GLU 43 1HB GLU 43 -13.563 4.009 0.478 335 HG2 GLU 43 2HG GLU 43 -11.844 5.676 0.993 336 HG3 GLU 43 1HG GLU 43 -11.872 6.203 -0.685 337 H THR 44 H THR 44 -10.686 1.475 0.310 338 HA THR 44 HA THR 44 -12.753 -0.369 -0.088 339 HB THR 44 HB THR 44 -11.898 -0.458 -2.361 340 HG1 THR 44 1HG THR 44 -12.293 -2.493 -1.301 341 HG21 THR 44 3HG2 THR 44 -9.149 -0.873 -1.179 342 HG22 THR 44 1HG2 THR 44 -9.716 0.588 -1.988 343 HG23 THR 44 2HG2 THR 44 -9.545 -0.911 -2.899 344 H GLU 45 H GLU 45 -12.097 -2.440 1.014 345 HA GLU 45 HA GLU 45 -10.651 -1.833 3.389 346 HB2 GLU 45 2HB GLU 45 -12.637 -3.444 3.102 347 HB3 GLU 45 1HB GLU 45 -11.498 -4.576 2.410 348 HG2 GLU 45 2HG GLU 45 -11.277 -3.491 5.216 349 HG3 GLU 45 1HG GLU 45 -12.127 -4.971 4.806 350 H ASN 46 H ASN 46 -9.950 -3.365 0.405 351 HA ASN 46 HA ASN 46 -7.514 -4.665 0.938 352 HB2 ASN 46 2HB ASN 46 -8.830 -4.985 -1.126 353 HB3 ASN 46 1HB ASN 46 -8.495 -3.335 -1.604 354 HD21 ASN 46 1HD2 ASN 46 -7.964 -5.910 -2.949 355 HD22 ASN 46 2HD2 ASN 46 -6.287 -5.885 -3.301 356 H ASN 47 H ASN 47 -8.204 -1.232 0.313 357 HA ASN 47 HA ASN 47 -5.334 -0.745 0.353 358 HB2 ASN 47 2HB ASN 47 -6.248 -0.189 -1.811 359 HB3 ASN 47 1HB ASN 47 -7.514 0.781 -1.067 360 HD21 ASN 47 1HD2 ASN 47 -7.041 2.785 -0.327 361 HD22 ASN 47 2HD2 ASN 47 -5.527 3.569 -0.592 362 H LYS 48 H LYS 48 -4.710 0.059 2.132 363 HA LYS 48 HA LYS 48 -6.481 1.574 3.881 364 HB2 LYS 48 2HB LYS 48 -3.570 0.827 4.184 365 HB3 LYS 48 1HB LYS 48 -4.556 1.624 5.395 366 HG2 LYS 48 2HG LYS 48 -5.938 -0.357 5.614 367 HG3 LYS 48 1HG LYS 48 -5.035 -1.153 4.323 368 HD2 LYS 48 2HD LYS 48 -4.240 -1.927 6.489 369 HD3 LYS 48 1HD LYS 48 -2.986 -0.996 5.678 370 HE2 LYS 48 2HE LYS 48 -3.684 0.997 7.046 371 HE3 LYS 48 1HE LYS 48 -4.783 -0.059 7.927 372 HZ1 LYS 48 3HZ LYS 48 -2.725 0.167 9.137 373 HZ2 LYS 48 1HZ LYS 48 -1.845 -0.267 7.771 374 HZ3 LYS 48 2HZ LYS 48 -2.795 -1.407 8.525 375 H CYS 49 H CYS 49 -5.945 3.706 4.555 376 HA CYS 49 HA CYS 49 -4.048 5.141 2.869 377 HB2 CYS 49 2HB CYS 49 -6.878 6.006 3.480 378 HB3 CYS 49 1HB CYS 49 -5.661 7.032 2.734 379 H CYS 50 H CYS 50 -2.865 6.565 3.982 380 HA CYS 50 HA CYS 50 -3.787 7.407 6.588 381 HB2 CYS 50 2HB CYS 50 -1.452 6.962 7.449 382 HB3 CYS 50 1HB CYS 50 -2.409 5.521 7.110 383 H SER 51 H SER 51 -2.602 9.392 7.287 384 HA SER 51 HA SER 51 -1.699 10.834 4.891 385 HB2 SER 51 2HB SER 51 -2.816 12.815 5.998 386 HB3 SER 51 1HB SER 51 -3.894 11.552 5.396 387 HG SER 51 HG SER 51 -4.646 11.560 7.333 388 H THR 52 H THR 52 0.007 9.531 6.978 389 HA THR 52 HA THR 52 1.303 11.969 7.988 390 HB THR 52 HB THR 52 1.486 9.289 9.322 391 HG1 THR 52 1HG THR 52 -0.520 11.280 9.426 392 HG21 THR 52 3HG2 THR 52 1.854 12.109 10.367 393 HG22 THR 52 1HG2 THR 52 3.149 10.979 9.969 394 HG23 THR 52 2HG2 THR 52 2.057 10.633 11.308 395 H ASP 53 H ASP 53 3.586 11.825 8.079 396 HA ASP 53 HA ASP 53 4.751 10.630 5.789 397 HB2 ASP 53 2HB ASP 53 6.049 11.966 8.174 398 HB3 ASP 53 1HB ASP 53 6.980 11.308 6.839 399 H ARG 54 H ARG 54 5.640 8.793 5.461 400 HA ARG 54 HA ARG 54 6.347 6.672 5.677 401 HB2 ARG 54 2HB ARG 54 7.228 7.598 8.413 402 HB3 ARG 54 1HB ARG 54 7.681 6.066 7.691 403 HG2 ARG 54 2HG ARG 54 8.814 7.304 5.875 404 HG3 ARG 54 1HG ARG 54 8.414 8.814 6.700 405 HD2 ARG 54 2HD ARG 54 10.070 6.558 7.825 406 HD3 ARG 54 1HD ARG 54 10.690 8.098 7.238 407 HE ARG 54 HE ARG 54 8.921 8.850 9.101 408 HH11 ARG 54 1HH1 ARG 54 11.629 6.575 9.204 409 HH12 ARG 54 2HH1 ARG 54 11.948 6.795 10.857 410 HH21 ARG 54 1HH2 ARG 54 9.370 9.177 11.410 411 HH22 ARG 54 2HH2 ARG 54 10.631 8.291 12.119 412 H CYS 55 H CYS 55 3.566 7.356 6.510 413 HA CYS 55 HA CYS 55 2.974 5.655 8.721 414 HB2 CYS 55 2HB CYS 55 0.633 6.046 8.105 415 HB3 CYS 55 1HB CYS 55 1.558 7.545 8.185 416 H ASN 56 H ASN 56 3.382 5.093 5.349 417 HA ASN 56 HA ASN 56 1.850 2.653 5.472 418 HB2 ASN 56 2HB ASN 56 2.202 2.470 3.045 419 HB3 ASN 56 1HB ASN 56 1.577 4.056 3.461 420 HD21 ASN 56 1HD2 ASN 56 2.830 3.453 1.082 421 HD22 ASN 56 2HD2 ASN 56 4.334 4.291 0.975 422 H LYS 57 H LYS 57 3.185 1.866 7.057 423 HA LYS 57 HA LYS 57 5.519 0.482 6.000 424 HB2 LYS 57 2HB LYS 57 6.570 0.765 8.270 425 HB3 LYS 57 1HB LYS 57 6.374 2.251 7.346 426 HG2 LYS 57 2HG LYS 57 4.376 2.796 8.654 427 HG3 LYS 57 1HG LYS 57 4.627 1.333 9.609 428 HD2 LYS 57 2HD LYS 57 6.708 2.157 10.443 429 HD3 LYS 57 1HD LYS 57 6.652 3.539 9.343 430 HE2 LYS 57 2HE LYS 57 4.634 4.341 10.469 431 HE3 LYS 57 1HE LYS 57 4.717 2.978 11.584 432 HZ1 LYS 57 3HZ LYS 57 6.820 3.795 12.386 433 HZ2 LYS 57 1HZ LYS 57 5.649 4.990 12.524 434 HZ3 LYS 57 2HZ LYS 57 6.792 5.086 11.294 Start of MODEL 14 1 H1 LEU 1 1HT LEU 1 4.596 14.346 0.458 2 H2 LEU 1 2HT LEU 1 5.764 15.066 1.425 3 H3 LEU 1 3HT LEU 1 4.147 15.519 1.583 4 HA LEU 1 HA LEU 1 4.812 14.052 3.373 5 HB2 LEU 1 2HB LEU 1 2.560 13.883 1.816 6 HB3 LEU 1 1HB LEU 1 3.185 12.261 1.641 7 HG LEU 1 HG LEU 1 2.343 13.613 4.197 8 HD11 LEU 1 2HD1 LEU 1 1.128 11.330 2.676 9 HD12 LEU 1 3HD1 LEU 1 0.488 12.965 2.799 10 HD13 LEU 1 1HD1 LEU 1 0.577 11.944 4.234 11 HD21 LEU 1 1HD2 LEU 1 2.719 11.457 5.287 12 HD22 LEU 1 2HD2 LEU 1 4.218 12.119 4.634 13 HD23 LEU 1 3HD2 LEU 1 3.387 10.815 3.788 14 H LYS 2 H LYS 2 6.055 12.269 3.939 15 HA LYS 2 HA LYS 2 7.405 10.924 1.722 16 HB2 LYS 2 2HB LYS 2 9.226 10.496 3.448 17 HB3 LYS 2 1HB LYS 2 9.035 12.158 2.903 18 HG2 LYS 2 2HG LYS 2 7.724 12.612 4.947 19 HG3 LYS 2 1HG LYS 2 8.068 10.970 5.487 20 HD2 LYS 2 2HD LYS 2 10.408 11.422 5.595 21 HD3 LYS 2 1HD LYS 2 10.201 12.985 4.803 22 HE2 LYS 2 2HE LYS 2 9.119 12.205 7.506 23 HE3 LYS 2 1HE LYS 2 10.499 13.259 7.209 24 HZ1 LYS 2 3HZ LYS 2 8.600 14.623 7.633 25 HZ2 LYS 2 1HZ LYS 2 7.655 13.792 6.510 26 HZ3 LYS 2 2HZ LYS 2 8.912 14.748 5.975 27 H CYS 3 H CYS 3 6.889 8.914 1.399 28 HA CYS 3 HA CYS 3 6.242 7.210 3.631 29 HB2 CYS 3 2HB CYS 3 4.332 7.725 1.354 30 HB3 CYS 3 1HB CYS 3 4.212 6.324 2.418 31 H PHE 4 H PHE 4 5.870 4.882 2.852 32 HA PHE 4 HA PHE 4 8.315 4.278 1.455 33 HB2 PHE 4 2HB PHE 4 6.294 2.423 2.727 34 HB3 PHE 4 1HB PHE 4 7.903 1.986 2.173 35 HD1 PHE 4 2HD PHE 4 5.960 3.653 4.763 36 HD2 PHE 4 1HD PHE 4 9.851 2.602 3.449 37 HE1 PHE 4 2HE PHE 4 6.838 4.169 6.981 38 HE2 PHE 4 1HE PHE 4 10.746 3.113 5.657 39 HZ PHE 4 HZ PHE 4 9.246 3.897 7.450 40 H GLN 5 H GLN 5 7.544 5.000 -0.650 41 HA GLN 5 HA GLN 5 5.462 3.383 -1.878 42 HB2 GLN 5 2HB GLN 5 5.614 5.740 -2.556 43 HB3 GLN 5 1HB GLN 5 7.262 5.501 -3.092 44 HG2 GLN 5 2HG GLN 5 4.998 4.004 -4.391 45 HG3 GLN 5 1HG GLN 5 5.367 5.662 -4.850 46 HE21 GLN 5 1HE2 GLN 5 8.236 5.380 -4.626 47 HE22 GLN 5 2HE2 GLN 5 8.739 4.366 -5.924 48 H HIS 6 H HIS 6 8.943 3.621 -2.066 49 HA HIS 6 HA HIS 6 8.940 1.242 -3.791 50 HB2 HIS 6 2HB HIS 6 10.215 3.328 -4.509 51 HB3 HIS 6 1HB HIS 6 11.279 3.070 -3.135 52 HD1 HIS 6 1HD HIS 6 13.451 2.224 -4.096 53 HD2 HIS 6 2HD HIS 6 10.138 0.518 -5.931 54 HE1 HIS 6 1HE HIS 6 14.355 0.548 -5.747 55 H GLY 7 H GLY 7 8.468 1.517 -0.865 56 HA2 GLY 7 2HA GLY 7 8.805 -0.095 0.819 57 HA3 GLY 7 1HA GLY 7 10.294 -0.588 0.012 58 H LYS 8 H LYS 8 11.110 2.165 -0.312 59 HA LYS 8 HA LYS 8 12.040 2.699 2.393 60 HB2 LYS 8 2HB LYS 8 13.201 3.374 -0.313 61 HB3 LYS 8 1HB LYS 8 13.764 4.148 1.153 62 HG2 LYS 8 2HG LYS 8 15.271 2.356 0.526 63 HG3 LYS 8 1HG LYS 8 14.457 1.955 2.031 64 HD2 LYS 8 2HD LYS 8 12.913 0.496 0.786 65 HD3 LYS 8 1HD LYS 8 13.755 0.897 -0.710 66 HE2 LYS 8 2HE LYS 8 15.790 -0.110 0.124 67 HE3 LYS 8 1HE LYS 8 15.036 -0.414 1.687 68 HZ1 LYS 8 3HZ LYS 8 13.519 -1.954 0.643 69 HZ2 LYS 8 1HZ LYS 8 15.100 -2.384 0.269 70 HZ3 LYS 8 2HZ LYS 8 14.152 -1.618 -0.888 71 H VAL 9 H VAL 9 12.321 4.995 2.898 72 HA VAL 9 HA VAL 9 9.884 6.406 2.547 73 HB VAL 9 HB VAL 9 12.500 7.409 3.703 74 HG11 VAL 9 1HG1 VAL 9 9.689 8.424 4.069 75 HG12 VAL 9 2HG1 VAL 9 10.982 9.221 3.170 76 HG13 VAL 9 3HG1 VAL 9 11.115 9.022 4.918 77 HG21 VAL 9 3HG2 VAL 9 10.156 6.108 5.072 78 HG22 VAL 9 1HG2 VAL 9 11.536 6.840 5.886 79 HG23 VAL 9 2HG2 VAL 9 11.763 5.419 4.867 80 H VAL 10 H VAL 10 9.410 7.278 0.620 81 HA VAL 10 HA VAL 10 11.461 8.923 -0.649 82 HB VAL 10 HB VAL 10 10.406 8.532 -2.822 83 HG11 VAL 10 1HG1 VAL 10 10.988 6.173 -3.148 84 HG12 VAL 10 2HG1 VAL 10 11.037 5.955 -1.399 85 HG13 VAL 10 3HG1 VAL 10 12.192 7.029 -2.185 86 HG21 VAL 10 3HG2 VAL 10 8.562 6.631 -1.377 87 HG22 VAL 10 1HG2 VAL 10 8.666 6.866 -3.123 88 HG23 VAL 10 2HG2 VAL 10 8.106 8.184 -2.088 89 H THR 11 H THR 11 10.677 10.876 -1.649 90 HA THR 11 HA THR 11 8.515 11.957 -0.066 91 HB THR 11 HB THR 11 10.267 13.420 -2.057 92 HG1 THR 11 1HG THR 11 11.240 12.216 -0.100 93 HG21 THR 11 3HG2 THR 11 8.657 14.341 0.334 94 HG22 THR 11 1HG2 THR 11 8.212 14.583 -1.355 95 HG23 THR 11 2HG2 THR 11 9.648 15.372 -0.698 96 H CYS 12 H CYS 12 6.547 11.758 -0.810 97 HA CYS 12 HA CYS 12 5.895 11.302 -3.585 98 HB2 CYS 12 2HB CYS 12 4.167 11.682 -1.126 99 HB3 CYS 12 1HB CYS 12 3.650 10.999 -2.675 100 H HIS 13 H HIS 13 4.425 12.723 -4.817 101 HA HIS 13 HA HIS 13 5.396 15.400 -4.620 102 HB2 HIS 13 2HB HIS 13 4.796 14.152 -6.794 103 HB3 HIS 13 1HB HIS 13 3.122 14.522 -6.410 104 HD1 HIS 13 1HD HIS 13 2.305 16.646 -7.606 105 HD2 HIS 13 2HD HIS 13 6.397 16.678 -6.793 106 HE1 HIS 13 1HE HIS 13 3.162 18.859 -8.405 107 H ARG 14 H ARG 14 3.836 17.292 -4.787 108 HA ARG 14 HA ARG 14 2.443 17.445 -2.343 109 HB2 ARG 14 2HB ARG 14 2.623 19.366 -4.644 110 HB3 ARG 14 1HB ARG 14 1.790 19.733 -3.141 111 HG2 ARG 14 2HG ARG 14 4.702 18.993 -3.348 112 HG3 ARG 14 1HG ARG 14 4.078 20.641 -3.235 113 HD2 ARG 14 2HD ARG 14 3.078 20.126 -1.076 114 HD3 ARG 14 1HD ARG 14 3.649 18.468 -1.173 115 HE ARG 14 HE ARG 14 5.794 20.271 -1.428 116 HH11 ARG 14 1HH1 ARG 14 3.564 18.957 1.006 117 HH12 ARG 14 2HH1 ARG 14 4.644 19.147 2.305 118 HH21 ARG 14 1HH2 ARG 14 7.278 20.565 0.379 119 HH22 ARG 14 2HH2 ARG 14 6.807 20.097 1.937 120 H ASP 15 H ASP 15 1.331 16.266 -5.288 121 HA ASP 15 HA ASP 15 -1.462 16.994 -4.981 122 HB2 ASP 15 2HB ASP 15 -0.275 14.637 -6.480 123 HB3 ASP 15 1HB ASP 15 -1.912 15.239 -6.635 124 H MET 16 H MET 16 0.724 14.589 -3.979 125 HA MET 16 HA MET 16 -1.191 12.658 -3.211 126 HB2 MET 16 2HB MET 16 1.780 12.850 -3.123 127 HB3 MET 16 1HB MET 16 1.035 11.547 -2.246 128 HG2 MET 16 2HG MET 16 1.600 10.712 -4.338 129 HG3 MET 16 1HG MET 16 -0.144 10.943 -4.342 130 HE1 MET 16 3HE MET 16 0.466 11.530 -7.978 131 HE2 MET 16 1HE MET 16 -0.654 10.971 -6.719 132 HE3 MET 16 2HE MET 16 0.966 10.296 -6.799 133 H LYS 17 H LYS 17 -2.458 13.142 -1.704 134 HA LYS 17 HA LYS 17 -1.547 14.518 0.689 135 HB2 LYS 17 2HB LYS 17 -3.624 15.200 -0.521 136 HB3 LYS 17 1HB LYS 17 -4.303 13.635 -0.147 137 HG2 LYS 17 2HG LYS 17 -4.203 14.131 2.239 138 HG3 LYS 17 1HG LYS 17 -3.497 15.709 1.877 139 HD2 LYS 17 2HD LYS 17 -5.504 16.332 0.634 140 HD3 LYS 17 1HD LYS 17 -6.196 14.742 0.962 141 HE2 LYS 17 2HE LYS 17 -6.159 15.218 3.353 142 HE3 LYS 17 1HE LYS 17 -5.449 16.799 3.026 143 HZ1 LYS 17 3HZ LYS 17 -7.453 17.407 1.819 144 HZ2 LYS 17 1HZ LYS 17 -7.832 16.940 3.390 145 HZ3 LYS 17 2HZ LYS 17 -8.130 15.892 2.113 146 H PHE 18 H PHE 18 -2.286 11.380 -0.491 147 HA PHE 18 HA PHE 18 -2.367 10.313 2.241 148 HB2 PHE 18 2HB PHE 18 -3.871 9.260 -0.162 149 HB3 PHE 18 1HB PHE 18 -3.894 8.590 1.460 150 HD1 PHE 18 1HD PHE 18 -5.061 11.292 -0.708 151 HD2 PHE 18 2HD PHE 18 -5.220 9.622 3.202 152 HE1 PHE 18 1HE PHE 18 -7.004 12.661 -0.224 153 HE2 PHE 18 2HE PHE 18 -7.187 11.011 3.708 154 HZ PHE 18 HZ PHE 18 -8.088 12.536 1.997 155 H CYS 19 H CYS 19 -1.245 8.481 2.527 156 HA CYS 19 HA CYS 19 0.347 7.435 0.310 157 HB2 CYS 19 2HB CYS 19 0.655 7.015 3.290 158 HB3 CYS 19 1HB CYS 19 1.775 6.540 2.013 159 H TYR 20 H TYR 20 0.142 5.152 -0.042 160 HA TYR 20 HA TYR 20 -1.944 3.969 1.578 161 HB2 TYR 20 2HB TYR 20 -2.991 2.904 -0.366 162 HB3 TYR 20 1HB TYR 20 -3.074 4.652 -0.432 163 HD1 TYR 20 2HD TYR 20 -1.593 1.638 -1.953 164 HD2 TYR 20 1HD TYR 20 -1.973 5.860 -2.209 165 HE1 TYR 20 2HE TYR 20 -0.744 1.560 -4.241 166 HE2 TYR 20 1HE TYR 20 -1.125 5.793 -4.517 167 HH TYR 20 HH TYR 20 -0.934 2.943 -6.264 168 H HIS 21 H HIS 21 -1.979 1.883 1.836 169 HA HIS 21 HA HIS 21 0.305 0.308 0.901 170 HB2 HIS 21 2HB HIS 21 0.578 0.809 3.331 171 HB3 HIS 21 1HB HIS 21 -1.048 0.195 3.620 172 HD1 HIS 21 1HD HIS 21 0.006 -1.559 5.300 173 HD2 HIS 21 2HD HIS 21 1.216 -2.000 1.350 174 HE1 HIS 21 1HE HIS 21 1.052 -3.838 5.143 175 H ASN 22 H ASN 22 -0.714 -0.807 -0.665 176 HA ASN 22 HA ASN 22 -3.245 -2.096 0.031 177 HB2 ASN 22 2HB ASN 22 -3.325 -0.750 -2.017 178 HB3 ASN 22 1HB ASN 22 -1.962 -1.626 -2.681 179 HD21 ASN 22 1HD2 ASN 22 -2.330 -3.748 -3.475 180 HD22 ASN 22 2HD2 ASN 22 -3.927 -4.338 -3.771 181 H THR 23 H THR 23 -3.023 -3.960 0.785 182 HA THR 23 HA THR 23 -0.599 -5.404 0.726 183 HB THR 23 HB THR 23 -2.018 -7.193 1.863 184 HG1 THR 23 1HG THR 23 -4.008 -5.741 0.850 185 HG21 THR 23 3HG2 THR 23 -2.078 -4.388 2.958 186 HG22 THR 23 1HG2 THR 23 -0.713 -5.499 3.087 187 HG23 THR 23 2HG2 THR 23 -2.235 -5.869 3.906 188 H GLY 24 H GLY 24 -3.421 -5.509 -1.245 189 HA2 GLY 24 2HA GLY 24 -3.696 -6.545 -3.286 190 HA3 GLY 24 1HA GLY 24 -2.170 -7.395 -3.041 191 H MET 25 H MET 25 -3.383 -9.270 -3.798 192 HA MET 25 HA MET 25 -5.086 -10.364 -1.701 193 HB2 MET 25 2HB MET 25 -4.576 -11.316 -4.532 194 HB3 MET 25 1HB MET 25 -5.539 -12.205 -3.363 195 HG2 MET 25 2HG MET 25 -6.141 -9.427 -4.361 196 HG3 MET 25 1HG MET 25 -6.919 -10.908 -4.920 197 HE1 MET 25 3HE MET 25 -8.657 -12.292 -3.533 198 HE2 MET 25 1HE MET 25 -8.997 -12.021 -1.826 199 HE3 MET 25 2HE MET 25 -7.410 -12.600 -2.325 200 HA PRO 26 HA PRO 26 -1.677 -12.504 -0.063 201 HB2 PRO 26 2HB PRO 26 -2.941 -14.637 1.091 202 HB3 PRO 26 1HB PRO 26 -2.930 -13.014 1.783 203 HG2 PRO 26 2HG PRO 26 -5.022 -14.354 0.136 204 HG3 PRO 26 1HG PRO 26 -5.218 -13.350 1.587 205 HD2 PRO 26 2HD PRO 26 -5.650 -12.389 -0.891 206 HD3 PRO 26 1HD PRO 26 -4.945 -11.377 0.396 207 H PHE 27 H PHE 27 -0.286 -13.494 -1.273 208 HA PHE 27 HA PHE 27 -0.929 -16.109 -2.398 209 HB2 PHE 27 2HB PHE 27 0.683 -13.919 -3.727 210 HB3 PHE 27 1HB PHE 27 0.603 -15.578 -4.317 211 HD1 PHE 27 1HD PHE 27 -1.878 -16.412 -4.774 212 HD2 PHE 27 2HD PHE 27 -0.656 -12.343 -4.654 213 HE1 PHE 27 1HE PHE 27 -3.814 -15.787 -6.148 214 HE2 PHE 27 2HE PHE 27 -2.594 -11.717 -6.023 215 HZ PHE 27 HZ PHE 27 -4.174 -13.440 -6.765 216 H ARG 28 H ARG 28 0.782 -17.561 -2.235 217 HA ARG 28 HA ARG 28 2.574 -16.985 -0.086 218 HB2 ARG 28 2HB ARG 28 2.511 -19.370 -1.940 219 HB3 ARG 28 1HB ARG 28 3.480 -19.224 -0.485 220 HG2 ARG 28 2HG ARG 28 1.377 -19.081 0.842 221 HG3 ARG 28 1HG ARG 28 0.483 -19.379 -0.655 222 HD2 ARG 28 2HD ARG 28 1.705 -21.458 -0.973 223 HD3 ARG 28 1HD ARG 28 2.579 -21.193 0.527 224 HE ARG 28 HE ARG 28 -0.150 -21.188 1.105 225 HH11 ARG 28 1HH1 ARG 28 2.286 -23.460 -0.086 226 HH12 ARG 28 2HH1 ARG 28 1.530 -24.845 0.550 227 HH21 ARG 28 1HH2 ARG 28 -1.207 -23.118 1.940 228 HH22 ARG 28 2HH2 ARG 28 -0.496 -24.657 1.714 229 H ASN 29 H ASN 29 4.520 -16.155 -0.180 230 HA ASN 29 HA ASN 29 6.502 -15.409 -0.824 231 HB2 ASN 29 2HB ASN 29 6.123 -17.225 -3.176 232 HB3 ASN 29 1HB ASN 29 7.577 -16.249 -2.957 233 HD21 ASN 29 1HD2 ASN 29 7.330 -19.081 -3.131 234 HD22 ASN 29 2HD2 ASN 29 7.902 -19.750 -1.645 235 H LEU 30 H LEU 30 3.748 -14.667 -2.315 236 HA LEU 30 HA LEU 30 5.075 -12.618 -3.899 237 HB2 LEU 30 2HB LEU 30 3.985 -14.039 -5.448 238 HB3 LEU 30 1HB LEU 30 2.529 -14.103 -4.488 239 HG LEU 30 HG LEU 30 2.081 -11.729 -5.041 240 HD11 LEU 30 1HD1 LEU 30 4.484 -11.948 -6.840 241 HD12 LEU 30 2HD1 LEU 30 4.337 -10.944 -5.392 242 HD13 LEU 30 3HD1 LEU 30 3.328 -10.613 -6.795 243 HD21 LEU 30 3HD2 LEU 30 1.478 -12.072 -7.368 244 HD22 LEU 30 1HD2 LEU 30 1.104 -13.488 -6.388 245 HD23 LEU 30 2HD2 LEU 30 2.525 -13.491 -7.436 246 H LYS 31 H LYS 31 5.132 -11.153 -2.336 247 HA LYS 31 HA LYS 31 2.593 -10.196 -1.303 248 HB2 LYS 31 2HB LYS 31 5.424 -9.231 -0.855 249 HB3 LYS 31 1HB LYS 31 3.991 -8.466 -0.191 250 HG2 LYS 31 2HG LYS 31 3.493 -10.509 1.065 251 HG3 LYS 31 1HG LYS 31 4.956 -11.254 0.416 252 HD2 LYS 31 2HD LYS 31 5.354 -10.369 2.665 253 HD3 LYS 31 1HD LYS 31 6.316 -9.501 1.470 254 HE2 LYS 31 2HE LYS 31 5.335 -7.941 3.077 255 HE3 LYS 31 1HE LYS 31 4.663 -7.665 1.484 256 HZ1 LYS 31 3HZ LYS 31 2.969 -7.621 3.190 257 HZ2 LYS 31 1HZ LYS 31 3.361 -9.175 3.683 258 HZ3 LYS 31 2HZ LYS 31 2.676 -8.912 2.164 259 H LEU 32 H LEU 32 1.506 -9.089 -2.776 260 HA LEU 32 HA LEU 32 2.877 -7.685 -4.852 261 HB2 LEU 32 2HB LEU 32 0.731 -8.765 -5.275 262 HB3 LEU 32 1HB LEU 32 -0.043 -7.769 -4.057 263 HG LEU 32 HG LEU 32 0.403 -5.777 -5.458 264 HD11 LEU 32 1HD1 LEU 32 2.349 -6.568 -6.676 265 HD12 LEU 32 2HD1 LEU 32 1.077 -6.072 -7.789 266 HD13 LEU 32 3HD1 LEU 32 1.365 -7.785 -7.488 267 HD21 LEU 32 3HD2 LEU 32 -1.749 -6.903 -5.584 268 HD22 LEU 32 1HD2 LEU 32 -1.121 -7.994 -6.821 269 HD23 LEU 32 2HD2 LEU 32 -1.287 -6.271 -7.164 270 H ILE 33 H ILE 33 3.945 -5.958 -4.271 271 HA ILE 33 HA ILE 33 2.995 -4.403 -2.057 272 HB ILE 33 HB ILE 33 5.602 -4.319 -3.593 273 HG12 ILE 33 2HG1 ILE 33 5.377 -6.146 -1.993 274 HG13 ILE 33 1HG1 ILE 33 6.570 -4.981 -1.427 275 HG21 ILE 33 1HG2 ILE 33 6.405 -2.592 -2.063 276 HG22 ILE 33 2HG2 ILE 33 4.814 -2.497 -1.319 277 HG23 ILE 33 3HG2 ILE 33 5.027 -2.009 -3.001 278 HD11 ILE 33 3HD1 ILE 33 4.811 -4.002 0.047 279 HD12 ILE 33 1HD1 ILE 33 5.214 -5.681 0.439 280 HD13 ILE 33 2HD1 ILE 33 3.738 -5.300 -0.444 281 H LEU 34 H LEU 34 1.313 -3.345 -2.659 282 HA LEU 34 HA LEU 34 1.850 -1.312 -4.657 283 HB2 LEU 34 2HB LEU 34 -0.751 -2.517 -3.790 284 HB3 LEU 34 1HB LEU 34 -0.701 -1.002 -4.695 285 HG LEU 34 HG LEU 34 0.227 -3.730 -5.601 286 HD11 LEU 34 1HD1 LEU 34 -2.192 -3.514 -5.535 287 HD12 LEU 34 2HD1 LEU 34 -1.618 -3.566 -7.201 288 HD13 LEU 34 3HD1 LEU 34 -2.099 -2.029 -6.482 289 HD21 LEU 34 3HD2 LEU 34 1.653 -2.028 -6.591 290 HD22 LEU 34 1HD2 LEU 34 0.234 -1.097 -7.082 291 HD23 LEU 34 2HD2 LEU 34 0.553 -2.671 -7.805 292 H GLN 35 H GLN 35 3.122 -0.659 -2.821 293 HA GLN 35 HA GLN 35 1.616 1.040 -0.978 294 HB2 GLN 35 2HB GLN 35 4.563 0.364 -1.096 295 HB3 GLN 35 1HB GLN 35 3.800 1.381 0.112 296 HG2 GLN 35 2HG GLN 35 2.542 -0.496 0.936 297 HG3 GLN 35 1HG GLN 35 3.225 -1.546 -0.305 298 HE21 GLN 35 1HE2 GLN 35 5.047 0.925 1.413 299 HE22 GLN 35 2HE2 GLN 35 6.033 -0.173 2.301 300 H GLY 36 H GLY 36 1.242 2.993 -1.834 301 HA2 GLY 36 2HA GLY 36 3.480 4.361 -3.075 302 HA3 GLY 36 1HA GLY 36 2.004 4.202 -4.029 303 H CYS 37 H CYS 37 2.166 6.557 -3.938 304 HA CYS 37 HA CYS 37 0.620 7.438 -1.639 305 HB2 CYS 37 2HB CYS 37 2.727 8.994 -3.164 306 HB3 CYS 37 1HB CYS 37 1.583 9.708 -2.038 307 H SER 38 H SER 38 -1.134 8.754 -2.128 308 HA SER 38 HA SER 38 -1.665 9.068 -4.971 309 HB2 SER 38 2HB SER 38 -2.759 6.966 -4.199 310 HB3 SER 38 1HB SER 38 -3.651 7.906 -3.006 311 HG SER 38 HG SER 38 -5.032 8.132 -4.512 312 H SER 39 H SER 39 -3.169 10.684 -5.447 313 HA SER 39 HA SER 39 -3.117 12.955 -3.790 314 HB2 SER 39 2HB SER 39 -4.847 12.362 -6.172 315 HB3 SER 39 1HB SER 39 -4.237 13.942 -5.627 316 HG SER 39 HG SER 39 -2.925 13.296 -7.262 317 H SER 40 H SER 40 -5.639 10.612 -4.677 318 HA SER 40 HA SER 40 -7.162 11.589 -2.389 319 HB2 SER 40 2HB SER 40 -8.216 12.098 -4.633 320 HB3 SER 40 1HB SER 40 -8.279 10.369 -4.945 321 HG SER 40 HG SER 40 -10.229 11.119 -4.170 322 H CYS 41 H CYS 41 -8.926 9.428 -2.221 323 HA CYS 41 HA CYS 41 -7.055 7.205 -1.817 324 HB2 CYS 41 2HB CYS 41 -7.231 8.146 0.339 325 HB3 CYS 41 1HB CYS 41 -8.977 8.330 0.197 326 H SER 42 H SER 42 -7.714 5.298 -2.423 327 HA SER 42 HA SER 42 -10.476 4.837 -3.173 328 HB2 SER 42 2HB SER 42 -8.115 2.920 -3.181 329 HB3 SER 42 1HB SER 42 -9.612 2.783 -4.109 330 HG SER 42 HG SER 42 -8.940 4.891 -4.991 331 H GLU 43 H GLU 43 -11.692 4.601 -1.311 332 HA GLU 43 HA GLU 43 -10.461 3.626 1.044 333 HB2 GLU 43 2HB GLU 43 -13.303 4.472 0.552 334 HB3 GLU 43 1HB GLU 43 -12.708 3.910 2.110 335 HG2 GLU 43 2HG GLU 43 -11.032 5.724 2.091 336 HG3 GLU 43 1HG GLU 43 -11.731 6.313 0.587 337 H THR 44 H THR 44 -10.126 1.722 1.586 338 HA THR 44 HA THR 44 -12.045 -0.329 1.548 339 HB THR 44 HB THR 44 -11.497 -0.634 -0.768 340 HG1 THR 44 1HG THR 44 -11.344 -2.642 -0.399 341 HG21 THR 44 3HG2 THR 44 -8.629 -0.387 0.048 342 HG22 THR 44 1HG2 THR 44 -9.540 0.726 -0.960 343 HG23 THR 44 2HG2 THR 44 -9.148 -0.891 -1.566 344 H GLU 45 H GLU 45 -10.895 -2.365 2.369 345 HA GLU 45 HA GLU 45 -9.197 -1.572 4.589 346 HB2 GLU 45 2HB GLU 45 -11.164 -3.108 4.836 347 HB3 GLU 45 1HB GLU 45 -10.300 -4.292 3.870 348 HG2 GLU 45 2HG GLU 45 -10.123 -4.836 6.206 349 HG3 GLU 45 1HG GLU 45 -8.539 -4.374 5.579 350 H ASN 46 H ASN 46 -8.985 -3.094 1.511 351 HA ASN 46 HA ASN 46 -6.536 -4.528 2.016 352 HB2 ASN 46 2HB ASN 46 -8.249 -5.168 0.246 353 HB3 ASN 46 1HB ASN 46 -7.694 -3.782 -0.686 354 HD21 ASN 46 1HD2 ASN 46 -7.635 -6.644 -1.323 355 HD22 ASN 46 2HD2 ASN 46 -5.980 -7.038 -1.595 356 H ASN 47 H ASN 47 -7.432 -1.593 0.289 357 HA ASN 47 HA ASN 47 -4.653 -0.739 0.225 358 HB2 ASN 47 2HB ASN 47 -5.746 -0.567 -1.876 359 HB3 ASN 47 1HB ASN 47 -7.138 0.265 -1.191 360 HD21 ASN 47 1HD2 ASN 47 -6.973 2.450 -0.762 361 HD22 ASN 47 2HD2 ASN 47 -5.664 3.405 -1.340 362 H LYS 48 H LYS 48 -4.196 -0.038 2.095 363 HA LYS 48 HA LYS 48 -6.049 1.493 3.713 364 HB2 LYS 48 2HB LYS 48 -3.237 0.522 4.198 365 HB3 LYS 48 1HB LYS 48 -4.187 1.412 5.379 366 HG2 LYS 48 2HG LYS 48 -5.848 -0.357 5.385 367 HG3 LYS 48 1HG LYS 48 -4.916 -1.259 4.191 368 HD2 LYS 48 2HD LYS 48 -3.114 -1.559 5.735 369 HD3 LYS 48 1HD LYS 48 -3.849 -0.452 6.893 370 HE2 LYS 48 2HE LYS 48 -4.210 -2.744 7.606 371 HE3 LYS 48 1HE LYS 48 -5.734 -2.000 7.152 372 HZ1 LYS 48 3HZ LYS 48 -5.682 -3.209 5.065 373 HZ2 LYS 48 1HZ LYS 48 -5.516 -4.249 6.371 374 HZ3 LYS 48 2HZ LYS 48 -4.170 -3.883 5.467 375 H CYS 49 H CYS 49 -6.170 3.631 3.588 376 HA CYS 49 HA CYS 49 -3.927 5.128 2.418 377 HB2 CYS 49 2HB CYS 49 -6.731 6.062 2.978 378 HB3 CYS 49 1HB CYS 49 -5.489 6.929 2.093 379 H CYS 50 H CYS 50 -2.809 6.435 3.687 380 HA CYS 50 HA CYS 50 -4.007 7.418 6.141 381 HB2 CYS 50 2HB CYS 50 -1.852 6.910 7.307 382 HB3 CYS 50 1HB CYS 50 -2.739 5.471 6.805 383 H SER 51 H SER 51 -2.851 9.394 6.872 384 HA SER 51 HA SER 51 -1.450 10.653 4.633 385 HB2 SER 51 2HB SER 51 -2.779 12.744 5.444 386 HB3 SER 51 1HB SER 51 -3.569 11.539 4.425 387 HG SER 51 HG SER 51 -3.826 11.997 7.189 388 H THR 52 H THR 52 -0.212 9.499 6.953 389 HA THR 52 HA THR 52 0.900 11.908 8.233 390 HB THR 52 HB THR 52 0.838 9.142 9.457 391 HG1 THR 52 1HG THR 52 -1.308 9.901 9.257 392 HG21 THR 52 3HG2 THR 52 1.228 10.346 11.569 393 HG22 THR 52 1HG2 THR 52 1.258 11.872 10.685 394 HG23 THR 52 2HG2 THR 52 2.507 10.658 10.396 395 H ASP 53 H ASP 53 3.238 11.611 8.785 396 HA ASP 53 HA ASP 53 4.624 10.716 6.470 397 HB2 ASP 53 2HB ASP 53 5.772 11.594 9.134 398 HB3 ASP 53 1HB ASP 53 6.733 11.210 7.712 399 H ARG 54 H ARG 54 5.371 8.877 5.923 400 HA ARG 54 HA ARG 54 6.064 6.731 5.893 401 HB2 ARG 54 2HB ARG 54 6.875 7.321 8.740 402 HB3 ARG 54 1HB ARG 54 7.345 5.882 7.862 403 HG2 ARG 54 2HG ARG 54 8.526 7.318 6.228 404 HG3 ARG 54 1HG ARG 54 8.109 8.721 7.218 405 HD2 ARG 54 2HD ARG 54 9.716 6.334 8.112 406 HD3 ARG 54 1HD ARG 54 10.367 7.927 7.723 407 HE ARG 54 HE ARG 54 8.894 8.731 9.585 408 HH11 ARG 54 1HH1 ARG 54 10.331 5.474 9.622 409 HH12 ARG 54 2HH1 ARG 54 10.263 5.344 11.316 410 HH21 ARG 54 1HH2 ARG 54 8.844 8.524 11.891 411 HH22 ARG 54 2HH2 ARG 54 9.427 7.118 12.640 412 H CYS 55 H CYS 55 3.303 7.393 6.764 413 HA CYS 55 HA CYS 55 2.577 5.609 8.850 414 HB2 CYS 55 2HB CYS 55 0.291 6.142 8.214 415 HB3 CYS 55 1HB CYS 55 1.305 7.582 8.311 416 H ASN 56 H ASN 56 3.075 5.030 5.451 417 HA ASN 56 HA ASN 56 1.207 2.805 5.422 418 HB2 ASN 56 2HB ASN 56 1.578 2.647 3.032 419 HB3 ASN 56 1HB ASN 56 1.349 4.331 3.455 420 HD21 ASN 56 1HD2 ASN 56 2.515 3.207 1.129 421 HD22 ASN 56 2HD2 ASN 56 4.150 3.742 1.016 422 H LYS 57 H LYS 57 3.380 2.605 7.133 423 HA LYS 57 HA LYS 57 5.139 0.624 5.983 424 HB2 LYS 57 2HB LYS 57 6.336 0.741 8.140 425 HB3 LYS 57 1HB LYS 57 6.219 2.293 7.335 426 HG2 LYS 57 2HG LYS 57 4.344 2.881 8.831 427 HG3 LYS 57 1HG LYS 57 4.582 1.348 9.669 428 HD2 LYS 57 2HD LYS 57 6.907 2.045 10.170 429 HD3 LYS 57 1HD LYS 57 6.556 3.609 9.434 430 HE2 LYS 57 2HE LYS 57 6.323 3.753 11.830 431 HE3 LYS 57 1HE LYS 57 4.752 3.951 11.058 432 HZ1 LYS 57 3HZ LYS 57 5.769 1.450 12.281 433 HZ2 LYS 57 1HZ LYS 57 4.239 1.651 11.587 434 HZ3 LYS 57 2HZ LYS 57 4.655 2.494 12.982 Start of MODEL 15 1 H1 LEU 1 1HT LEU 1 4.381 14.318 1.022 2 H2 LEU 1 2HT LEU 1 5.369 15.116 2.142 3 H3 LEU 1 3HT LEU 1 3.710 15.168 2.322 4 HA LEU 1 HA LEU 1 4.722 13.641 3.858 5 HB2 LEU 1 2HB LEU 1 2.975 12.528 1.704 6 HB3 LEU 1 1HB LEU 1 3.568 11.496 2.981 7 HG LEU 1 HG LEU 1 1.954 13.992 3.481 8 HD11 LEU 1 2HD1 LEU 1 1.134 11.087 3.397 9 HD12 LEU 1 3HD1 LEU 1 0.629 12.329 2.254 10 HD13 LEU 1 1HD1 LEU 1 0.114 12.422 3.938 11 HD21 LEU 1 1HD2 LEU 1 1.713 12.950 5.713 12 HD22 LEU 1 2HD2 LEU 1 3.389 13.341 5.322 13 HD23 LEU 1 3HD2 LEU 1 2.833 11.682 5.205 14 H LYS 2 H LYS 2 6.175 12.164 4.343 15 HA LYS 2 HA LYS 2 7.580 11.004 2.105 16 HB2 LYS 2 2HB LYS 2 9.493 10.621 3.727 17 HB3 LYS 2 1HB LYS 2 9.164 12.303 3.368 18 HG2 LYS 2 2HG LYS 2 7.933 12.467 5.519 19 HG3 LYS 2 1HG LYS 2 8.384 10.800 5.858 20 HD2 LYS 2 2HD LYS 2 10.736 11.393 5.828 21 HD3 LYS 2 1HD LYS 2 10.336 13.051 5.377 22 HE2 LYS 2 2HE LYS 2 9.459 11.706 7.931 23 HE3 LYS 2 1HE LYS 2 10.857 12.767 7.801 24 HZ1 LYS 2 3HZ LYS 2 8.028 13.550 7.256 25 HZ2 LYS 2 1HZ LYS 2 9.365 14.569 7.159 26 HZ3 LYS 2 2HZ LYS 2 8.878 13.935 8.641 27 H CYS 3 H CYS 3 6.942 9.085 1.688 28 HA CYS 3 HA CYS 3 6.217 7.278 3.849 29 HB2 CYS 3 2HB CYS 3 4.488 7.850 1.424 30 HB3 CYS 3 1HB CYS 3 4.207 6.575 2.612 31 H PHE 4 H PHE 4 5.891 4.998 2.903 32 HA PHE 4 HA PHE 4 8.305 4.468 1.411 33 HB2 PHE 4 2HB PHE 4 6.255 2.586 2.604 34 HB3 PHE 4 1HB PHE 4 7.739 2.075 1.816 35 HD1 PHE 4 1HD PHE 4 6.344 3.803 4.745 36 HD2 PHE 4 2HD PHE 4 9.805 2.144 2.946 37 HE1 PHE 4 1HE PHE 4 7.519 3.961 6.893 38 HE2 PHE 4 2HE PHE 4 10.990 2.283 5.088 39 HZ PHE 4 HZ PHE 4 9.849 3.195 7.070 40 H GLN 5 H GLN 5 7.475 5.558 -0.416 41 HA GLN 5 HA GLN 5 5.283 4.421 -1.916 42 HB2 GLN 5 2HB GLN 5 5.741 6.840 -1.864 43 HB3 GLN 5 1HB GLN 5 7.278 6.543 -2.655 44 HG2 GLN 5 2HG GLN 5 6.025 5.627 -4.585 45 HG3 GLN 5 1HG GLN 5 4.536 6.139 -3.792 46 HE21 GLN 5 1HE2 GLN 5 7.562 7.899 -3.743 47 HE22 GLN 5 2HE2 GLN 5 7.062 9.255 -4.647 48 H HIS 6 H HIS 6 8.765 4.546 -2.090 49 HA HIS 6 HA HIS 6 8.730 2.762 -4.417 50 HB2 HIS 6 2HB HIS 6 10.915 4.599 -3.391 51 HB3 HIS 6 1HB HIS 6 11.138 3.459 -4.712 52 HD1 HIS 6 1HD HIS 6 10.863 6.922 -4.510 53 HD2 HIS 6 2HD HIS 6 8.650 4.056 -6.578 54 HE1 HIS 6 1HE HIS 6 9.736 8.133 -6.374 55 H GLY 7 H GLY 7 8.363 2.144 -1.538 56 HA2 GLY 7 2HA GLY 7 8.888 0.144 -0.403 57 HA3 GLY 7 1HA GLY 7 10.388 0.040 -1.327 58 H LYS 8 H LYS 8 11.129 2.676 -0.956 59 HA LYS 8 HA LYS 8 11.904 2.708 1.856 60 HB2 LYS 8 2HB LYS 8 13.166 3.987 -0.558 61 HB3 LYS 8 1HB LYS 8 13.688 4.298 1.089 62 HG2 LYS 8 2HG LYS 8 14.182 1.869 1.327 63 HG3 LYS 8 1HG LYS 8 13.790 1.670 -0.379 64 HD2 LYS 8 2HD LYS 8 15.956 3.461 0.727 65 HD3 LYS 8 1HD LYS 8 16.219 1.872 0.018 66 HE2 LYS 8 2HE LYS 8 15.061 4.275 -1.404 67 HE3 LYS 8 1HE LYS 8 16.709 3.680 -1.554 68 HZ1 LYS 8 3HZ LYS 8 15.875 1.643 -2.508 69 HZ2 LYS 8 1HZ LYS 8 15.310 2.958 -3.384 70 HZ3 LYS 8 2HZ LYS 8 14.285 2.129 -2.341 71 H VAL 9 H VAL 9 12.110 4.832 2.838 72 HA VAL 9 HA VAL 9 9.738 6.374 2.616 73 HB VAL 9 HB VAL 9 12.339 7.139 3.975 74 HG11 VAL 9 1HG1 VAL 9 10.858 9.021 3.703 75 HG12 VAL 9 2HG1 VAL 9 10.926 8.553 5.404 76 HG13 VAL 9 3HG1 VAL 9 9.525 8.118 4.424 77 HG21 VAL 9 3HG2 VAL 9 11.560 5.001 4.800 78 HG22 VAL 9 1HG2 VAL 9 9.965 5.683 5.103 79 HG23 VAL 9 2HG2 VAL 9 11.356 6.254 6.026 80 H VAL 10 H VAL 10 9.380 7.633 0.937 81 HA VAL 10 HA VAL 10 11.532 9.368 0.011 82 HB VAL 10 HB VAL 10 10.738 9.142 -2.306 83 HG11 VAL 10 1HG1 VAL 10 11.429 6.490 -1.059 84 HG12 VAL 10 2HG1 VAL 10 12.579 7.712 -1.623 85 HG13 VAL 10 3HG1 VAL 10 11.523 6.880 -2.776 86 HG21 VAL 10 3HG2 VAL 10 8.438 8.541 -1.895 87 HG22 VAL 10 1HG2 VAL 10 8.949 6.990 -1.224 88 HG23 VAL 10 2HG2 VAL 10 9.222 7.344 -2.932 89 H THR 11 H THR 11 10.805 11.361 -0.839 90 HA THR 11 HA THR 11 8.443 12.316 0.428 91 HB THR 11 HB THR 11 10.428 13.665 -1.427 92 HG1 THR 11 1HG THR 11 10.072 14.112 1.320 93 HG21 THR 11 3HG2 THR 11 8.257 14.821 -1.470 94 HG22 THR 11 1HG2 THR 11 9.454 15.785 -0.606 95 HG23 THR 11 2HG2 THR 11 8.236 14.872 0.290 96 H CYS 12 H CYS 12 6.572 11.960 -0.401 97 HA CYS 12 HA CYS 12 6.107 11.390 -3.188 98 HB2 CYS 12 2HB CYS 12 4.238 11.644 -0.820 99 HB3 CYS 12 1HB CYS 12 3.824 10.967 -2.401 100 H HIS 13 H HIS 13 4.689 12.633 -4.513 101 HA HIS 13 HA HIS 13 5.415 15.348 -4.554 102 HB2 HIS 13 2HB HIS 13 4.640 13.746 -6.470 103 HB3 HIS 13 1HB HIS 13 3.027 14.330 -6.072 104 HD1 HIS 13 1HD HIS 13 2.349 16.479 -7.452 105 HD2 HIS 13 2HD HIS 13 6.470 15.909 -7.067 106 HE1 HIS 13 1HE HIS 13 3.422 18.246 -8.808 107 H ARG 14 H ARG 14 3.852 17.155 -4.640 108 HA ARG 14 HA ARG 14 2.466 17.197 -2.166 109 HB2 ARG 14 2HB ARG 14 2.679 19.273 -4.331 110 HB3 ARG 14 1HB ARG 14 1.825 19.545 -2.816 111 HG2 ARG 14 2HG ARG 14 3.875 19.129 -1.565 112 HG3 ARG 14 1HG ARG 14 4.738 18.819 -3.071 113 HD2 ARG 14 2HD ARG 14 3.376 21.403 -2.361 114 HD3 ARG 14 1HD ARG 14 5.100 21.092 -2.166 115 HE ARG 14 HE ARG 14 5.028 20.637 -4.645 116 HH11 ARG 14 1HH1 ARG 14 2.873 22.994 -3.085 117 HH12 ARG 14 2HH1 ARG 14 2.756 24.024 -4.423 118 HH21 ARG 14 1HH2 ARG 14 4.905 22.098 -6.521 119 HH22 ARG 14 2HH2 ARG 14 3.947 23.489 -6.426 120 H ASP 15 H ASP 15 1.450 16.339 -5.251 121 HA ASP 15 HA ASP 15 -1.373 16.834 -4.911 122 HB2 ASP 15 2HB ASP 15 0.106 14.993 -6.812 123 HB3 ASP 15 1HB ASP 15 -1.629 15.260 -6.842 124 H MET 16 H MET 16 0.887 14.499 -4.003 125 HA MET 16 HA MET 16 -0.983 12.403 -3.539 126 HB2 MET 16 2HB MET 16 1.970 12.727 -3.053 127 HB3 MET 16 1HB MET 16 1.146 11.366 -2.353 128 HG2 MET 16 2HG MET 16 2.142 10.713 -4.363 129 HG3 MET 16 1HG MET 16 0.394 10.696 -4.540 130 HE1 MET 16 3HE MET 16 1.545 11.548 -8.091 131 HE2 MET 16 1HE MET 16 0.509 10.556 -7.043 132 HE3 MET 16 2HE MET 16 2.261 10.448 -6.885 133 H LYS 17 H LYS 17 -2.399 12.808 -2.138 134 HA LYS 17 HA LYS 17 -1.843 14.292 0.298 135 HB2 LYS 17 2HB LYS 17 -3.883 14.696 -1.152 136 HB3 LYS 17 1HB LYS 17 -4.392 13.084 -0.749 137 HG2 LYS 17 2HG LYS 17 -4.654 13.639 1.568 138 HG3 LYS 17 1HG LYS 17 -3.995 15.252 1.298 139 HD2 LYS 17 2HD LYS 17 -5.873 15.809 -0.140 140 HD3 LYS 17 1HD LYS 17 -6.508 14.171 0.016 141 HE2 LYS 17 2HE LYS 17 -7.716 15.716 1.466 142 HE3 LYS 17 1HE LYS 17 -6.832 14.525 2.415 143 HZ1 LYS 17 3HZ LYS 17 -6.608 16.747 3.336 144 HZ2 LYS 17 1HZ LYS 17 -5.967 17.317 1.895 145 HZ3 LYS 17 2HZ LYS 17 -5.103 16.206 2.793 146 H PHE 18 H PHE 18 -2.104 11.080 -0.817 147 HA PHE 18 HA PHE 18 -2.381 10.128 1.940 148 HB2 PHE 18 2HB PHE 18 -3.681 8.937 -0.494 149 HB3 PHE 18 1HB PHE 18 -3.794 8.351 1.155 150 HD1 PHE 18 1HD PHE 18 -5.025 9.736 2.852 151 HD2 PHE 18 2HD PHE 18 -5.097 10.656 -1.320 152 HE1 PHE 18 1HE PHE 18 -7.054 11.048 3.168 153 HE2 PHE 18 2HE PHE 18 -7.122 11.957 -1.000 154 HZ PHE 18 HZ PHE 18 -8.115 12.167 1.237 155 H CYS 19 H CYS 19 -1.202 8.365 2.403 156 HA CYS 19 HA CYS 19 0.451 7.207 0.293 157 HB2 CYS 19 2HB CYS 19 0.818 7.030 3.307 158 HB3 CYS 19 1HB CYS 19 1.960 6.597 2.025 159 H TYR 20 H TYR 20 -0.009 5.001 -0.097 160 HA TYR 20 HA TYR 20 -2.127 3.977 1.649 161 HB2 TYR 20 2HB TYR 20 -3.248 2.945 -0.207 162 HB3 TYR 20 1HB TYR 20 -3.045 4.657 -0.524 163 HD1 TYR 20 1HD TYR 20 -1.932 1.260 -1.470 164 HD2 TYR 20 2HD TYR 20 -1.749 5.397 -2.417 165 HE1 TYR 20 1HE TYR 20 -0.986 0.694 -3.653 166 HE2 TYR 20 2HE TYR 20 -0.797 4.845 -4.622 167 HH TYR 20 HH TYR 20 -0.925 1.852 -5.943 168 H HIS 21 H HIS 21 -2.441 1.811 1.744 169 HA HIS 21 HA HIS 21 -0.280 0.057 0.901 170 HB2 HIS 21 2HB HIS 21 -0.240 0.333 3.408 171 HB3 HIS 21 1HB HIS 21 -1.936 -0.168 3.433 172 HD1 HIS 21 1HD HIS 21 -1.967 -2.526 4.401 173 HD2 HIS 21 2HD HIS 21 1.148 -1.939 1.709 174 HE1 HIS 21 1HE HIS 21 -0.854 -4.747 4.131 175 H ASN 22 H ASN 22 -1.177 -0.915 -0.733 176 HA ASN 22 HA ASN 22 -4.042 -1.503 -0.709 177 HB2 ASN 22 2HB ASN 22 -2.956 -0.300 -2.658 178 HB3 ASN 22 1HB ASN 22 -2.075 -1.780 -3.006 179 HD21 ASN 22 1HD2 ASN 22 -5.059 -0.138 -3.102 180 HD22 ASN 22 2HD2 ASN 22 -5.952 -1.324 -3.986 181 H THR 23 H THR 23 -4.640 -3.508 -0.275 182 HA THR 23 HA THR 23 -2.546 -5.464 0.122 183 HB THR 23 HB THR 23 -4.375 -6.778 1.263 184 HG1 THR 23 1HG THR 23 -5.853 -4.353 1.127 185 HG21 THR 23 3HG2 THR 23 -2.840 -5.326 2.531 186 HG22 THR 23 1HG2 THR 23 -4.460 -5.330 3.237 187 HG23 THR 23 2HG2 THR 23 -3.930 -3.964 2.258 188 H GLY 24 H GLY 24 -2.093 -6.914 -1.367 189 HA2 GLY 24 2HA GLY 24 -4.118 -7.651 -3.347 190 HA3 GLY 24 1HA GLY 24 -2.395 -8.045 -3.416 191 H MET 25 H MET 25 -3.631 -10.212 -3.885 192 HA MET 25 HA MET 25 -4.615 -11.562 -1.567 193 HB2 MET 25 2HB MET 25 -3.789 -12.605 -4.287 194 HB3 MET 25 1HB MET 25 -4.401 -13.646 -3.013 195 HG2 MET 25 2HG MET 25 -6.498 -12.366 -3.008 196 HG3 MET 25 1HG MET 25 -5.882 -11.380 -4.332 197 HE1 MET 25 3HE MET 25 -4.364 -13.553 -6.146 198 HE2 MET 25 1HE MET 25 -5.434 -12.299 -6.776 199 HE3 MET 25 2HE MET 25 -5.663 -13.976 -7.260 200 HA PRO 26 HA PRO 26 -0.777 -12.798 0.203 201 HB2 PRO 26 2HB PRO 26 -1.481 -15.193 1.322 202 HB3 PRO 26 1HB PRO 26 -1.928 -13.635 2.016 203 HG2 PRO 26 2HG PRO 26 -3.545 -15.462 0.292 204 HG3 PRO 26 1HG PRO 26 -4.041 -14.581 1.752 205 HD2 PRO 26 2HD PRO 26 -4.660 -13.718 -0.714 206 HD3 PRO 26 1HD PRO 26 -4.277 -12.584 0.597 207 H PHE 27 H PHE 27 0.715 -13.288 -1.284 208 HA PHE 27 HA PHE 27 0.658 -15.955 -2.524 209 HB2 PHE 27 2HB PHE 27 2.050 -13.401 -3.361 210 HB3 PHE 27 1HB PHE 27 2.464 -14.968 -4.034 211 HD1 PHE 27 2HD PHE 27 -0.279 -12.489 -3.728 212 HD2 PHE 27 1HD PHE 27 1.243 -15.855 -5.825 213 HE1 PHE 27 2HE PHE 27 -1.971 -12.163 -5.467 214 HE2 PHE 27 1HE PHE 27 -0.451 -15.540 -7.574 215 HZ PHE 27 HZ PHE 27 -2.064 -13.687 -7.399 216 H ARG 28 H ARG 28 2.313 -17.319 -2.088 217 HA ARG 28 HA ARG 28 4.271 -16.447 -0.118 218 HB2 ARG 28 2HB ARG 28 4.864 -18.829 0.069 219 HB3 ARG 28 1HB ARG 28 3.143 -18.591 0.303 220 HG2 ARG 28 2HG ARG 28 2.775 -19.313 -2.052 221 HG3 ARG 28 1HG ARG 28 4.503 -19.641 -2.164 222 HD2 ARG 28 2HD ARG 28 3.233 -21.674 -1.681 223 HD3 ARG 28 1HD ARG 28 4.338 -21.270 -0.366 224 HE ARG 28 HE ARG 28 1.757 -20.158 0.027 225 HH11 ARG 28 1HH1 ARG 28 3.496 -23.236 0.276 226 HH12 ARG 28 2HH1 ARG 28 2.559 -23.811 1.569 227 HH21 ARG 28 1HH2 ARG 28 0.476 -20.975 1.790 228 HH22 ARG 28 2HH2 ARG 28 0.815 -22.520 2.442 229 H ASN 29 H ASN 29 6.523 -16.574 -0.496 230 HA ASN 29 HA ASN 29 8.437 -16.293 -1.632 231 HB2 ASN 29 2HB ASN 29 7.062 -17.881 -3.794 232 HB3 ASN 29 1HB ASN 29 8.783 -17.495 -3.798 233 HD21 ASN 29 1HD2 ASN 29 10.109 -18.572 -2.267 234 HD22 ASN 29 2HD2 ASN 29 9.602 -20.032 -1.505 235 H LEU 30 H LEU 30 5.795 -14.769 -2.256 236 HA LEU 30 HA LEU 30 7.036 -12.888 -4.042 237 HB2 LEU 30 2HB LEU 30 5.761 -14.363 -5.545 238 HB3 LEU 30 1HB LEU 30 4.319 -14.090 -4.592 239 HG LEU 30 HG LEU 30 4.375 -11.699 -5.248 240 HD11 LEU 30 1HD1 LEU 30 6.752 -11.448 -5.669 241 HD12 LEU 30 2HD1 LEU 30 5.819 -10.999 -7.096 242 HD13 LEU 30 3HD1 LEU 30 6.643 -12.557 -7.036 243 HD21 LEU 30 3HD2 LEU 30 3.664 -12.054 -7.564 244 HD22 LEU 30 1HD2 LEU 30 3.003 -13.282 -6.485 245 HD23 LEU 30 2HD2 LEU 30 4.370 -13.670 -7.530 246 H LYS 31 H LYS 31 7.135 -11.602 -2.233 247 HA LYS 31 HA LYS 31 4.610 -10.982 -0.993 248 HB2 LYS 31 2HB LYS 31 5.952 -9.553 0.597 249 HB3 LYS 31 1HB LYS 31 6.306 -11.268 0.648 250 HG2 LYS 31 2HG LYS 31 8.347 -10.906 -0.624 251 HG3 LYS 31 1HG LYS 31 7.968 -9.189 -0.767 252 HD2 LYS 31 2HD LYS 31 9.595 -9.520 1.002 253 HD3 LYS 31 1HD LYS 31 8.062 -8.993 1.691 254 HE2 LYS 31 2HE LYS 31 9.016 -10.764 3.044 255 HE3 LYS 31 1HE LYS 31 7.539 -11.336 2.280 256 HZ1 LYS 31 3HZ LYS 31 9.243 -13.019 2.109 257 HZ2 LYS 31 1HZ LYS 31 10.323 -11.932 1.437 258 HZ3 LYS 31 2HZ LYS 31 8.997 -12.405 0.560 259 H LEU 32 H LEU 32 3.631 -10.081 -2.663 260 HA LEU 32 HA LEU 32 4.778 -7.783 -3.833 261 HB2 LEU 32 2HB LEU 32 2.462 -7.617 -5.011 262 HB3 LEU 32 1HB LEU 32 3.580 -8.876 -5.455 263 HG LEU 32 HG LEU 32 2.213 -10.434 -3.962 264 HD11 LEU 32 1HD1 LEU 32 -0.111 -9.854 -3.557 265 HD12 LEU 32 2HD1 LEU 32 0.195 -8.214 -4.129 266 HD13 LEU 32 3HD1 LEU 32 0.988 -8.800 -2.667 267 HD21 LEU 32 3HD2 LEU 32 0.923 -9.239 -6.401 268 HD22 LEU 32 1HD2 LEU 32 0.531 -10.805 -5.692 269 HD23 LEU 32 2HD2 LEU 32 2.133 -10.522 -6.374 270 H ILE 33 H ILE 33 4.975 -6.065 -2.870 271 HA ILE 33 HA ILE 33 2.983 -5.284 -0.913 272 HB ILE 33 HB ILE 33 5.319 -5.389 -0.094 273 HG12 ILE 33 2HG1 ILE 33 5.524 -3.092 0.850 274 HG13 ILE 33 1HG1 ILE 33 4.226 -2.585 -0.225 275 HG21 ILE 33 1HG2 ILE 33 5.915 -3.266 -2.113 276 HG22 ILE 33 2HG2 ILE 33 6.558 -4.917 -2.083 277 HG23 ILE 33 3HG2 ILE 33 6.998 -3.764 -0.815 278 HD11 ILE 33 3HD1 ILE 33 2.706 -4.097 0.854 279 HD12 ILE 33 1HD1 ILE 33 3.446 -3.024 2.034 280 HD13 ILE 33 2HD1 ILE 33 3.994 -4.701 1.900 281 H LEU 34 H LEU 34 1.657 -3.688 -1.333 282 HA LEU 34 HA LEU 34 2.223 -1.980 -3.656 283 HB2 LEU 34 2HB LEU 34 -0.442 -2.842 -2.573 284 HB3 LEU 34 1HB LEU 34 -0.191 -1.774 -3.949 285 HG LEU 34 HG LEU 34 0.614 -4.666 -3.805 286 HD11 LEU 34 1HD1 LEU 34 -1.688 -3.364 -5.247 287 HD12 LEU 34 2HD1 LEU 34 -1.800 -4.438 -3.853 288 HD13 LEU 34 3HD1 LEU 34 -1.212 -5.055 -5.398 289 HD21 LEU 34 3HD2 LEU 34 0.639 -2.733 -6.116 290 HD22 LEU 34 1HD2 LEU 34 0.995 -4.456 -6.221 291 HD23 LEU 34 2HD2 LEU 34 2.053 -3.395 -5.294 292 H GLN 35 H GLN 35 3.323 -0.535 -2.382 293 HA GLN 35 HA GLN 35 1.552 1.126 -0.777 294 HB2 GLN 35 2HB GLN 35 4.404 0.399 -0.137 295 HB3 GLN 35 1HB GLN 35 3.530 1.708 0.644 296 HG2 GLN 35 2HG GLN 35 1.872 0.090 1.434 297 HG3 GLN 35 1HG GLN 35 2.823 -1.203 0.702 298 HE21 GLN 35 1HE2 GLN 35 5.358 0.083 1.458 299 HE22 GLN 35 2HE2 GLN 35 5.492 -0.164 3.164 300 H GLY 36 H GLY 36 1.332 2.932 -1.723 301 HA2 GLY 36 2HA GLY 36 3.648 4.225 -2.912 302 HA3 GLY 36 1HA GLY 36 2.219 3.955 -3.901 303 H CYS 37 H CYS 37 2.714 6.419 -3.750 304 HA CYS 37 HA CYS 37 0.885 7.372 -1.694 305 HB2 CYS 37 2HB CYS 37 3.095 8.904 -3.114 306 HB3 CYS 37 1HB CYS 37 1.902 9.606 -2.033 307 H SER 38 H SER 38 -0.857 8.503 -2.354 308 HA SER 38 HA SER 38 -1.195 8.649 -5.257 309 HB2 SER 38 2HB SER 38 -2.143 6.517 -4.313 310 HB3 SER 38 1HB SER 38 -3.248 7.496 -3.354 311 HG SER 38 HG SER 38 -4.459 7.562 -4.988 312 H SER 39 H SER 39 -2.861 10.095 -5.912 313 HA SER 39 HA SER 39 -3.048 12.422 -4.229 314 HB2 SER 39 2HB SER 39 -2.483 12.507 -6.661 315 HB3 SER 39 1HB SER 39 -4.094 11.888 -7.021 316 HG SER 39 HG SER 39 -3.628 14.234 -5.530 317 H SER 40 H SER 40 -5.188 10.113 -5.845 318 HA SER 40 HA SER 40 -7.377 10.941 -4.094 319 HB2 SER 40 2HB SER 40 -7.421 9.320 -6.660 320 HB3 SER 40 1HB SER 40 -8.835 9.837 -5.741 321 HG SER 40 HG SER 40 -7.218 11.240 -7.471 322 H CYS 41 H CYS 41 -8.661 9.129 -3.167 323 HA CYS 41 HA CYS 41 -7.354 6.561 -3.146 324 HB2 CYS 41 2HB CYS 41 -6.184 7.673 -1.355 325 HB3 CYS 41 1HB CYS 41 -7.700 8.246 -0.666 326 H SER 42 H SER 42 -8.735 4.922 -2.594 327 HA SER 42 HA SER 42 -11.431 5.654 -1.710 328 HB2 SER 42 2HB SER 42 -10.600 3.167 -3.221 329 HB3 SER 42 1HB SER 42 -12.244 3.713 -2.867 330 HG SER 42 HG SER 42 -11.231 5.709 -4.082 331 H GLU 43 H GLU 43 -10.903 5.541 0.470 332 HA GLU 43 HA GLU 43 -9.348 3.537 1.646 333 HB2 GLU 43 2HB GLU 43 -11.513 5.126 3.027 334 HB3 GLU 43 1HB GLU 43 -10.204 4.255 3.807 335 HG2 GLU 43 2HG GLU 43 -9.333 6.336 3.879 336 HG3 GLU 43 1HG GLU 43 -8.748 5.834 2.291 337 H THR 44 H THR 44 -9.708 1.542 1.667 338 HA THR 44 HA THR 44 -12.348 0.457 2.279 339 HB THR 44 HB THR 44 -11.788 -1.299 0.478 340 HG1 THR 44 1HG THR 44 -10.198 0.834 -0.484 341 HG21 THR 44 3HG2 THR 44 -13.595 0.336 0.166 342 HG22 THR 44 1HG2 THR 44 -12.743 0.051 -1.353 343 HG23 THR 44 2HG2 THR 44 -12.425 1.517 -0.425 344 H GLU 45 H GLU 45 -11.778 -2.186 2.297 345 HA GLU 45 HA GLU 45 -9.733 -2.483 4.278 346 HB2 GLU 45 2HB GLU 45 -11.851 -3.841 4.212 347 HB3 GLU 45 1HB GLU 45 -11.252 -4.608 2.753 348 HG2 GLU 45 2HG GLU 45 -9.354 -5.492 3.979 349 HG3 GLU 45 1HG GLU 45 -9.950 -4.731 5.455 350 H ASN 46 H ASN 46 -10.199 -3.004 0.918 351 HA ASN 46 HA ASN 46 -7.851 -4.422 0.278 352 HB2 ASN 46 2HB ASN 46 -9.727 -4.349 -1.249 353 HB3 ASN 46 1HB ASN 46 -9.604 -2.597 -1.370 354 HD21 ASN 46 1HD2 ASN 46 -8.269 -5.645 -2.366 355 HD22 ASN 46 2HD2 ASN 46 -7.272 -5.007 -3.621 356 H ASN 47 H ASN 47 -8.659 -0.969 -0.109 357 HA ASN 47 HA ASN 47 -5.789 -0.455 -0.204 358 HB2 ASN 47 2HB ASN 47 -6.906 0.090 -2.260 359 HB3 ASN 47 1HB ASN 47 -8.113 1.052 -1.406 360 HD21 ASN 47 1HD2 ASN 47 -7.562 3.022 -0.661 361 HD22 ASN 47 2HD2 ASN 47 -6.127 3.857 -1.092 362 H LYS 48 H LYS 48 -5.101 0.207 1.615 363 HA LYS 48 HA LYS 48 -6.825 1.730 3.433 364 HB2 LYS 48 2HB LYS 48 -4.149 0.412 3.925 365 HB3 LYS 48 1HB LYS 48 -5.231 1.068 5.141 366 HG2 LYS 48 2HG LYS 48 -6.849 -0.660 4.704 367 HG3 LYS 48 1HG LYS 48 -5.889 -1.264 3.353 368 HD2 LYS 48 2HD LYS 48 -4.052 -1.755 4.935 369 HD3 LYS 48 1HD LYS 48 -5.090 -1.244 6.263 370 HE2 LYS 48 2HE LYS 48 -5.709 -3.507 4.357 371 HE3 LYS 48 1HE LYS 48 -5.008 -3.723 5.952 372 HZ1 LYS 48 3HZ LYS 48 -7.367 -4.117 5.929 373 HZ2 LYS 48 1HZ LYS 48 -7.675 -2.542 5.407 374 HZ3 LYS 48 2HZ LYS 48 -6.995 -2.816 6.924 375 H CYS 49 H CYS 49 -6.453 3.902 3.467 376 HA CYS 49 HA CYS 49 -3.784 4.829 2.646 377 HB2 CYS 49 2HB CYS 49 -6.430 6.223 2.384 378 HB3 CYS 49 1HB CYS 49 -4.883 7.016 2.141 379 H CYS 50 H CYS 50 -2.742 6.320 3.802 380 HA CYS 50 HA CYS 50 -4.009 7.402 6.173 381 HB2 CYS 50 2HB CYS 50 -1.869 6.893 7.390 382 HB3 CYS 50 1HB CYS 50 -2.804 5.461 6.962 383 H SER 51 H SER 51 -2.926 9.369 6.816 384 HA SER 51 HA SER 51 -1.112 10.424 4.801 385 HB2 SER 51 2HB SER 51 -3.451 11.898 6.060 386 HB3 SER 51 1HB SER 51 -2.279 12.610 4.935 387 HG SER 51 HG SER 51 -3.146 11.536 3.345 388 H THR 52 H THR 52 0.371 9.553 6.504 389 HA THR 52 HA THR 52 1.190 11.750 8.175 390 HB THR 52 HB THR 52 1.050 8.964 9.345 391 HG1 THR 52 1HG THR 52 -0.953 10.689 8.947 392 HG21 THR 52 3HG2 THR 52 1.355 10.133 11.493 393 HG22 THR 52 1HG2 THR 52 1.387 11.677 10.642 394 HG23 THR 52 2HG2 THR 52 2.668 10.496 10.374 395 H ASP 53 H ASP 53 3.442 11.458 8.737 396 HA ASP 53 HA ASP 53 4.963 10.496 6.545 397 HB2 ASP 53 2HB ASP 53 5.938 11.265 9.298 398 HB3 ASP 53 1HB ASP 53 6.954 11.005 7.892 399 H ARG 54 H ARG 54 5.724 8.625 6.138 400 HA ARG 54 HA ARG 54 6.286 6.482 6.206 401 HB2 ARG 54 2HB ARG 54 6.975 7.094 9.083 402 HB3 ARG 54 1HB ARG 54 7.313 5.548 8.334 403 HG2 ARG 54 2HG ARG 54 8.744 6.792 6.726 404 HG3 ARG 54 1HG ARG 54 8.483 8.229 7.731 405 HD2 ARG 54 2HD ARG 54 9.278 6.983 9.691 406 HD3 ARG 54 1HD ARG 54 9.602 5.592 8.660 407 HE ARG 54 HE ARG 54 10.855 8.150 8.147 408 HH11 ARG 54 1HH1 ARG 54 11.175 4.741 9.102 409 HH12 ARG 54 2HH1 ARG 54 12.862 4.695 8.956 410 HH21 ARG 54 1HH2 ARG 54 13.248 8.075 7.985 411 HH22 ARG 54 2HH2 ARG 54 14.051 6.611 8.328 412 H CYS 55 H CYS 55 3.449 7.207 6.931 413 HA CYS 55 HA CYS 55 2.674 5.362 8.943 414 HB2 CYS 55 2HB CYS 55 0.376 5.847 8.262 415 HB3 CYS 55 1HB CYS 55 1.330 7.319 8.413 416 H ASN 56 H ASN 56 3.167 5.045 5.506 417 HA ASN 56 HA ASN 56 1.811 2.512 5.556 418 HB2 ASN 56 2HB ASN 56 2.023 2.427 3.121 419 HB3 ASN 56 1HB ASN 56 1.350 3.968 3.615 420 HD21 ASN 56 1HD2 ASN 56 2.515 3.386 1.156 421 HD22 ASN 56 2HD2 ASN 56 3.936 4.347 0.950 422 H LYS 57 H LYS 57 3.335 1.779 7.076 423 HA LYS 57 HA LYS 57 5.668 0.606 5.779 424 HB2 LYS 57 2HB LYS 57 6.828 0.636 7.945 425 HB3 LYS 57 1HB LYS 57 6.449 2.255 7.391 426 HG2 LYS 57 2HG LYS 57 4.523 2.294 8.940 427 HG3 LYS 57 1HG LYS 57 5.004 0.704 9.535 428 HD2 LYS 57 2HD LYS 57 6.671 3.217 9.646 429 HD3 LYS 57 1HD LYS 57 5.797 2.512 11.004 430 HE2 LYS 57 2HE LYS 57 7.196 0.482 10.811 431 HE3 LYS 57 1HE LYS 57 8.072 1.232 9.480 432 HZ1 LYS 57 3HZ LYS 57 9.296 1.491 11.517 433 HZ2 LYS 57 1HZ LYS 57 7.983 2.226 12.276 434 HZ3 LYS 57 2HZ LYS 57 8.765 2.992 11.007 Start of MODEL 16 1 H1 LEU 1 1HT LEU 1 3.639 15.348 2.448 2 H2 LEU 1 2HT LEU 1 4.371 14.738 1.042 3 H3 LEU 1 3HT LEU 1 5.326 15.285 2.322 4 HA LEU 1 HA LEU 1 4.588 13.546 3.703 5 HB2 LEU 1 2HB LEU 1 2.867 12.890 1.349 6 HB3 LEU 1 1HB LEU 1 3.358 11.651 2.479 7 HG LEU 1 HG LEU 1 1.729 14.097 3.160 8 HD11 LEU 1 2HD1 LEU 1 -0.071 12.453 3.467 9 HD12 LEU 1 3HD1 LEU 1 1.015 11.177 2.912 10 HD13 LEU 1 1HD1 LEU 1 0.523 12.454 1.803 11 HD21 LEU 1 1HD2 LEU 1 3.101 13.396 5.038 12 HD22 LEU 1 2HD2 LEU 1 2.615 11.729 4.793 13 HD23 LEU 1 3HD2 LEU 1 1.424 12.920 5.321 14 H LYS 2 H LYS 2 6.081 12.165 3.934 15 HA LYS 2 HA LYS 2 7.220 11.045 1.526 16 HB2 LYS 2 2HB LYS 2 9.231 10.462 2.919 17 HB3 LYS 2 1HB LYS 2 8.973 12.180 2.657 18 HG2 LYS 2 2HG LYS 2 8.082 12.376 4.935 19 HG3 LYS 2 1HG LYS 2 8.325 10.645 5.175 20 HD2 LYS 2 2HD LYS 2 10.163 11.891 6.176 21 HD3 LYS 2 1HD LYS 2 10.745 10.947 4.810 22 HE2 LYS 2 2HE LYS 2 10.658 12.973 3.393 23 HE3 LYS 2 1HE LYS 2 10.113 13.904 4.782 24 HZ1 LYS 2 3HZ LYS 2 12.233 13.297 5.883 25 HZ2 LYS 2 1HZ LYS 2 12.458 14.191 4.472 26 HZ3 LYS 2 2HZ LYS 2 12.724 12.556 4.439 27 H CYS 3 H CYS 3 6.598 9.092 1.082 28 HA CYS 3 HA CYS 3 5.710 7.400 3.319 29 HB2 CYS 3 2HB CYS 3 4.368 7.384 0.606 30 HB3 CYS 3 1HB CYS 3 3.786 6.700 2.124 31 H PHE 4 H PHE 4 5.644 5.030 2.656 32 HA PHE 4 HA PHE 4 8.179 4.437 1.414 33 HB2 PHE 4 2HB PHE 4 6.049 2.560 2.461 34 HB3 PHE 4 1HB PHE 4 7.680 2.114 1.994 35 HD1 PHE 4 1HD PHE 4 9.585 2.840 3.377 36 HD2 PHE 4 2HD PHE 4 5.568 3.464 4.557 37 HE1 PHE 4 1HE PHE 4 10.327 3.189 5.675 38 HE2 PHE 4 2HE PHE 4 6.290 3.814 6.863 39 HZ PHE 4 HZ PHE 4 8.678 3.667 7.443 40 H GLN 5 H GLN 5 7.816 5.000 -0.724 41 HA GLN 5 HA GLN 5 5.653 3.665 -2.146 42 HB2 GLN 5 2HB GLN 5 6.437 5.900 -2.878 43 HB3 GLN 5 1HB GLN 5 7.967 5.174 -3.346 44 HG2 GLN 5 2HG GLN 5 6.804 3.791 -5.001 45 HG3 GLN 5 1HG GLN 5 5.275 4.536 -4.545 46 HE21 GLN 5 1HE2 GLN 5 8.322 6.250 -4.803 47 HE22 GLN 5 2HE2 GLN 5 7.867 7.218 -6.147 48 H HIS 6 H HIS 6 9.100 3.223 -1.858 49 HA HIS 6 HA HIS 6 8.859 0.825 -3.564 50 HB2 HIS 6 2HB HIS 6 11.407 2.197 -2.683 51 HB3 HIS 6 1HB HIS 6 11.266 0.896 -3.856 52 HD1 HIS 6 1HD HIS 6 9.654 1.718 -6.090 53 HD2 HIS 6 2HD HIS 6 11.553 4.575 -3.759 54 HE1 HIS 6 1HE HIS 6 9.688 3.812 -7.463 55 H GLY 7 H GLY 7 8.393 1.428 -0.570 56 HA2 GLY 7 2HA GLY 7 8.504 -0.065 1.278 57 HA3 GLY 7 1HA GLY 7 9.884 -0.865 0.512 58 H LYS 8 H LYS 8 10.767 1.844 -0.224 59 HA LYS 8 HA LYS 8 12.165 2.635 2.223 60 HB2 LYS 8 2HB LYS 8 12.740 3.366 -0.665 61 HB3 LYS 8 1HB LYS 8 13.738 3.749 0.729 62 HG2 LYS 8 2HG LYS 8 14.155 1.352 1.067 63 HG3 LYS 8 1HG LYS 8 13.171 1.021 -0.361 64 HD2 LYS 8 2HD LYS 8 14.724 2.274 -1.747 65 HD3 LYS 8 1HD LYS 8 15.703 2.653 -0.330 66 HE2 LYS 8 2HE LYS 8 16.690 0.800 -1.558 67 HE3 LYS 8 1HE LYS 8 16.121 0.263 0.019 68 HZ1 LYS 8 3HZ LYS 8 14.726 -0.176 -2.580 69 HZ2 LYS 8 1HZ LYS 8 14.135 -0.660 -1.071 70 HZ3 LYS 8 2HZ LYS 8 15.526 -1.336 -1.667 71 H VAL 9 H VAL 9 12.266 4.907 2.615 72 HA VAL 9 HA VAL 9 9.757 6.213 2.233 73 HB VAL 9 HB VAL 9 12.321 7.271 3.426 74 HG11 VAL 9 1HG1 VAL 9 10.840 8.776 4.672 75 HG12 VAL 9 2HG1 VAL 9 9.465 8.156 3.752 76 HG13 VAL 9 3HG1 VAL 9 10.766 9.024 2.928 77 HG21 VAL 9 3HG2 VAL 9 11.670 5.220 4.528 78 HG22 VAL 9 1HG2 VAL 9 10.037 5.843 4.756 79 HG23 VAL 9 2HG2 VAL 9 11.392 6.604 5.587 80 H VAL 10 H VAL 10 9.255 7.546 0.600 81 HA VAL 10 HA VAL 10 11.413 8.981 -0.756 82 HB VAL 10 HB VAL 10 10.368 8.717 -2.904 83 HG11 VAL 10 1HG1 VAL 10 10.601 6.029 -1.595 84 HG12 VAL 10 2HG1 VAL 10 11.901 6.960 -2.342 85 HG13 VAL 10 3HG1 VAL 10 10.577 6.334 -3.330 86 HG21 VAL 10 3HG2 VAL 10 8.380 7.350 -3.290 87 HG22 VAL 10 1HG2 VAL 10 8.036 8.711 -2.223 88 HG23 VAL 10 2HG2 VAL 10 8.221 7.090 -1.551 89 H THR 11 H THR 11 10.767 11.011 -1.590 90 HA THR 11 HA THR 11 8.623 12.213 -0.116 91 HB THR 11 HB THR 11 10.454 13.376 -2.245 92 HG1 THR 11 1HG THR 11 11.275 12.545 -0.088 93 HG21 THR 11 3HG2 THR 11 8.681 14.752 -0.211 94 HG22 THR 11 1HG2 THR 11 8.378 14.682 -1.946 95 HG23 THR 11 2HG2 THR 11 9.779 15.557 -1.331 96 H CYS 12 H CYS 12 6.598 12.179 -0.774 97 HA CYS 12 HA CYS 12 5.793 11.266 -3.367 98 HB2 CYS 12 2HB CYS 12 4.154 12.476 -1.154 99 HB3 CYS 12 1HB CYS 12 3.599 11.418 -2.452 100 H HIS 13 H HIS 13 4.229 12.567 -4.686 101 HA HIS 13 HA HIS 13 5.391 15.117 -5.224 102 HB2 HIS 13 2HB HIS 13 4.242 13.453 -6.891 103 HB3 HIS 13 1HB HIS 13 2.753 14.232 -6.376 104 HD1 HIS 13 1HD HIS 13 2.090 16.252 -7.886 105 HD2 HIS 13 2HD HIS 13 6.191 15.437 -7.852 106 HE1 HIS 13 1HE HIS 13 3.153 17.880 -9.446 107 H ARG 14 H ARG 14 4.001 17.091 -5.459 108 HA ARG 14 HA ARG 14 3.110 17.890 -2.928 109 HB2 ARG 14 2HB ARG 14 2.823 19.147 -5.635 110 HB3 ARG 14 1HB ARG 14 2.238 19.925 -4.175 111 HG2 ARG 14 2HG ARG 14 5.103 19.083 -4.570 112 HG3 ARG 14 1HG ARG 14 4.495 20.673 -5.022 113 HD2 ARG 14 2HD ARG 14 5.506 20.862 -2.863 114 HD3 ARG 14 1HD ARG 14 3.765 20.976 -2.649 115 HE ARG 14 HE ARG 14 5.320 18.540 -2.129 116 HH11 ARG 14 1HH1 ARG 14 2.688 20.765 -1.190 117 HH12 ARG 14 2HH1 ARG 14 2.393 19.970 0.278 118 HH21 ARG 14 1HH2 ARG 14 4.833 17.470 -0.078 119 HH22 ARG 14 2HH2 ARG 14 3.598 18.097 0.915 120 H ASP 15 H ASP 15 1.375 16.329 -5.433 121 HA ASP 15 HA ASP 15 -1.218 17.355 -4.623 122 HB2 ASP 15 2HB ASP 15 -0.582 15.125 -6.560 123 HB3 ASP 15 1HB ASP 15 -2.137 15.923 -6.355 124 H MET 16 H MET 16 0.846 14.912 -3.667 125 HA MET 16 HA MET 16 -1.119 12.912 -3.152 126 HB2 MET 16 2HB MET 16 1.854 13.048 -2.774 127 HB3 MET 16 1HB MET 16 0.977 11.735 -2.040 128 HG2 MET 16 2HG MET 16 1.870 11.086 -4.120 129 HG3 MET 16 1HG MET 16 0.116 11.071 -4.168 130 HE1 MET 16 3HE MET 16 0.114 10.863 -6.628 131 HE2 MET 16 1HE MET 16 1.871 10.835 -6.686 132 HE3 MET 16 2HE MET 16 0.967 11.881 -7.809 133 H LYS 17 H LYS 17 -2.515 13.193 -1.730 134 HA LYS 17 HA LYS 17 -2.013 14.591 0.754 135 HB2 LYS 17 2HB LYS 17 -4.498 13.454 -0.490 136 HB3 LYS 17 1HB LYS 17 -4.466 14.176 1.105 137 HG2 LYS 17 2HG LYS 17 -3.754 16.301 0.113 138 HG3 LYS 17 1HG LYS 17 -3.817 15.555 -1.491 139 HD2 LYS 17 2HD LYS 17 -6.184 15.154 -1.262 140 HD3 LYS 17 1HD LYS 17 -6.158 15.725 0.403 141 HE2 LYS 17 2HE LYS 17 -5.551 17.415 -2.035 142 HE3 LYS 17 1HE LYS 17 -7.078 17.389 -1.170 143 HZ1 LYS 17 3HZ LYS 17 -5.949 18.215 0.806 144 HZ2 LYS 17 1HZ LYS 17 -5.719 19.262 -0.487 145 HZ3 LYS 17 2HZ LYS 17 -4.476 18.245 0.001 146 H PHE 18 H PHE 18 -2.199 11.322 -0.351 147 HA PHE 18 HA PHE 18 -2.234 10.441 2.455 148 HB2 PHE 18 2HB PHE 18 -3.706 9.070 0.211 149 HB3 PHE 18 1HB PHE 18 -3.626 8.557 1.883 150 HD1 PHE 18 1HD PHE 18 -4.953 9.739 3.608 151 HD2 PHE 18 2HD PHE 18 -5.146 10.806 -0.513 152 HE1 PHE 18 1HE PHE 18 -7.077 10.877 4.001 153 HE2 PHE 18 2HE PHE 18 -7.264 11.971 -0.118 154 HZ PHE 18 HZ PHE 18 -8.246 12.006 2.141 155 H CYS 19 H CYS 19 -1.049 8.615 2.836 156 HA CYS 19 HA CYS 19 0.644 7.604 0.684 157 HB2 CYS 19 2HB CYS 19 0.547 6.734 3.588 158 HB3 CYS 19 1HB CYS 19 1.813 6.466 2.394 159 H TYR 20 H TYR 20 0.011 5.591 -0.237 160 HA TYR 20 HA TYR 20 -2.195 4.310 1.184 161 HB2 TYR 20 2HB TYR 20 -3.061 3.373 -0.863 162 HB3 TYR 20 1HB TYR 20 -2.879 5.099 -1.079 163 HD1 TYR 20 2HD TYR 20 -1.629 1.760 -2.115 164 HD2 TYR 20 1HD TYR 20 -1.342 5.955 -2.708 165 HE1 TYR 20 2HE TYR 20 -0.455 1.362 -4.220 166 HE2 TYR 20 1HE TYR 20 -0.184 5.579 -4.836 167 HH TYR 20 HH TYR 20 -0.143 2.671 -6.396 168 H HIS 21 H HIS 21 -2.248 2.181 1.411 169 HA HIS 21 HA HIS 21 0.167 0.722 0.680 170 HB2 HIS 21 2HB HIS 21 0.285 1.326 3.098 171 HB3 HIS 21 1HB HIS 21 -1.248 0.499 3.366 172 HD1 HIS 21 1HD HIS 21 0.506 -0.813 5.134 173 HD2 HIS 21 2HD HIS 21 0.894 -1.555 1.071 174 HE1 HIS 21 1HE HIS 21 1.840 -2.920 4.938 175 H ASN 22 H ASN 22 -0.640 -0.480 -0.856 176 HA ASN 22 HA ASN 22 -3.215 -1.767 -0.448 177 HB2 ASN 22 2HB ASN 22 -3.007 -0.517 -2.539 178 HB3 ASN 22 1HB ASN 22 -1.524 -1.330 -2.949 179 HD21 ASN 22 1HD2 ASN 22 -2.450 -4.064 -2.448 180 HD22 ASN 22 2HD2 ASN 22 -3.668 -4.408 -3.599 181 H THR 23 H THR 23 -2.995 -3.455 0.605 182 HA THR 23 HA THR 23 -0.513 -4.845 0.845 183 HB THR 23 HB THR 23 -1.814 -6.266 2.448 184 HG1 THR 23 1HG THR 23 -3.899 -4.379 1.900 185 HG21 THR 23 3HG2 THR 23 -2.120 -4.482 4.116 186 HG22 THR 23 1HG2 THR 23 -2.033 -3.277 2.833 187 HG23 THR 23 2HG2 THR 23 -0.616 -4.259 3.216 188 H GLY 24 H GLY 24 -0.541 -7.299 0.839 189 HA2 GLY 24 2HA GLY 24 -2.384 -8.527 -0.961 190 HA3 GLY 24 1HA GLY 24 -0.702 -8.469 -1.503 191 H MET 25 H MET 25 -1.688 -10.897 -1.123 192 HA MET 25 HA MET 25 -1.118 -11.738 1.583 193 HB2 MET 25 2HB MET 25 -1.843 -13.334 -0.883 194 HB3 MET 25 1HB MET 25 -1.570 -14.035 0.704 195 HG2 MET 25 2HG MET 25 -3.443 -12.737 1.591 196 HG3 MET 25 1HG MET 25 -3.706 -12.052 -0.011 197 HE1 MET 25 3HE MET 25 -4.327 -16.509 1.021 198 HE2 MET 25 1HE MET 25 -3.800 -15.299 2.188 199 HE3 MET 25 2HE MET 25 -2.724 -15.797 0.879 200 HA PRO 26 HA PRO 26 3.111 -12.699 0.779 201 HB2 PRO 26 2HB PRO 26 3.549 -14.632 2.630 202 HB3 PRO 26 1HB PRO 26 3.380 -12.927 3.062 203 HG2 PRO 26 2HG PRO 26 1.357 -15.125 3.219 204 HG3 PRO 26 1HG PRO 26 1.696 -13.833 4.384 205 HD2 PRO 26 2HD PRO 26 -0.382 -13.744 2.636 206 HD3 PRO 26 1HD PRO 26 0.451 -12.291 3.221 207 H PHE 27 H PHE 27 3.512 -13.671 -1.065 208 HA PHE 27 HA PHE 27 2.818 -16.481 -1.398 209 HB2 PHE 27 2HB PHE 27 3.166 -14.328 -3.503 210 HB3 PHE 27 1HB PHE 27 2.899 -16.031 -3.855 211 HD1 PHE 27 2HD PHE 27 0.719 -16.907 -2.349 212 HD2 PHE 27 1HD PHE 27 1.368 -13.003 -3.911 213 HE1 PHE 27 2HE PHE 27 -1.706 -16.492 -2.312 214 HE2 PHE 27 1HE PHE 27 -1.053 -12.581 -3.877 215 HZ PHE 27 HZ PHE 27 -2.598 -14.331 -3.077 216 H ARG 28 H ARG 28 4.407 -17.802 -2.238 217 HA ARG 28 HA ARG 28 7.003 -17.610 -1.357 218 HB2 ARG 28 2HB ARG 28 5.982 -18.985 -3.832 219 HB3 ARG 28 1HB ARG 28 7.587 -19.231 -3.171 220 HG2 ARG 28 2HG ARG 28 6.696 -20.239 -1.204 221 HG3 ARG 28 1HG ARG 28 5.048 -19.800 -1.657 222 HD2 ARG 28 2HD ARG 28 5.153 -21.249 -3.589 223 HD3 ARG 28 1HD ARG 28 6.843 -21.615 -3.261 224 HE ARG 28 HE ARG 28 5.783 -22.473 -1.034 225 HH11 ARG 28 1HH1 ARG 28 4.386 -22.878 -4.268 226 HH12 ARG 28 2HH1 ARG 28 3.774 -24.433 -3.950 227 HH21 ARG 28 1HH2 ARG 28 4.969 -24.572 -0.630 228 HH22 ARG 28 2HH2 ARG 28 4.091 -25.422 -1.819 229 H ASN 29 H ASN 29 8.304 -15.923 -1.681 230 HA ASN 29 HA ASN 29 9.751 -14.485 -2.601 231 HB2 ASN 29 2HB ASN 29 9.274 -16.123 -5.074 232 HB3 ASN 29 1HB ASN 29 10.393 -14.760 -5.058 233 HD21 ASN 29 1HD2 ASN 29 10.915 -17.554 -5.571 234 HD22 ASN 29 2HD2 ASN 29 12.052 -18.079 -4.386 235 H LEU 30 H LEU 30 6.755 -14.117 -2.705 236 HA LEU 30 HA LEU 30 6.900 -11.717 -4.294 237 HB2 LEU 30 2HB LEU 30 5.906 -13.250 -5.815 238 HB3 LEU 30 1HB LEU 30 4.772 -13.818 -4.614 239 HG LEU 30 HG LEU 30 3.691 -11.580 -4.629 240 HD11 LEU 30 1HD1 LEU 30 4.187 -10.019 -6.448 241 HD12 LEU 30 2HD1 LEU 30 5.577 -11.008 -6.907 242 HD13 LEU 30 3HD1 LEU 30 5.540 -10.209 -5.337 243 HD21 LEU 30 3HD2 LEU 30 2.591 -11.835 -6.792 244 HD22 LEU 30 1HD2 LEU 30 2.797 -13.388 -5.986 245 HD23 LEU 30 2HD2 LEU 30 3.865 -12.939 -7.316 246 H LYS 31 H LYS 31 6.951 -10.564 -2.444 247 HA LYS 31 HA LYS 31 4.524 -10.577 -0.831 248 HB2 LYS 31 2HB LYS 31 6.913 -10.276 0.157 249 HB3 LYS 31 1HB LYS 31 6.909 -8.706 -0.623 250 HG2 LYS 31 2HG LYS 31 6.359 -8.473 1.715 251 HG3 LYS 31 1HG LYS 31 4.943 -8.073 0.738 252 HD2 LYS 31 2HD LYS 31 3.942 -10.205 1.191 253 HD3 LYS 31 1HD LYS 31 5.416 -10.795 1.955 254 HE2 LYS 31 2HE LYS 31 3.731 -10.228 3.618 255 HE3 LYS 31 1HE LYS 31 5.128 -9.166 3.757 256 HZ1 LYS 31 3HZ LYS 31 2.591 -8.473 2.389 257 HZ2 LYS 31 1HZ LYS 31 3.868 -7.403 2.681 258 HZ3 LYS 31 2HZ LYS 31 2.953 -8.063 3.945 259 H LEU 32 H LEU 32 2.931 -9.498 -1.851 260 HA LEU 32 HA LEU 32 3.554 -7.841 -4.093 261 HB2 LEU 32 2HB LEU 32 1.598 -9.285 -4.101 262 HB3 LEU 32 1HB LEU 32 0.929 -8.425 -2.730 263 HG LEU 32 HG LEU 32 0.746 -6.392 -4.156 264 HD11 LEU 32 1HD1 LEU 32 0.914 -6.632 -6.584 265 HD12 LEU 32 2HD1 LEU 32 1.540 -8.269 -6.377 266 HD13 LEU 32 3HD1 LEU 32 2.468 -6.888 -5.790 267 HD21 LEU 32 3HD2 LEU 32 -0.665 -8.842 -5.193 268 HD22 LEU 32 1HD2 LEU 32 -1.181 -7.172 -5.418 269 HD23 LEU 32 2HD2 LEU 32 -1.154 -7.876 -3.801 270 H ILE 33 H ILE 33 4.342 -5.951 -3.790 271 HA ILE 33 HA ILE 33 3.348 -4.338 -1.594 272 HB ILE 33 HB ILE 33 6.088 -4.500 -2.816 273 HG12 ILE 33 2HG1 ILE 33 5.672 -6.023 -1.007 274 HG13 ILE 33 1HG1 ILE 33 6.748 -4.753 -0.431 275 HG21 ILE 33 1HG2 ILE 33 5.586 -2.112 -2.707 276 HG22 ILE 33 2HG2 ILE 33 6.806 -2.563 -1.517 277 HG23 ILE 33 3HG2 ILE 33 5.144 -2.277 -1.007 278 HD11 ILE 33 3HD1 ILE 33 3.791 -5.024 0.151 279 HD12 ILE 33 1HD1 ILE 33 4.775 -3.630 0.591 280 HD13 ILE 33 2HD1 ILE 33 5.133 -5.216 1.267 281 H LEU 34 H LEU 34 1.885 -3.124 -2.231 282 HA LEU 34 HA LEU 34 2.509 -1.307 -4.407 283 HB2 LEU 34 2HB LEU 34 -0.160 -2.451 -3.619 284 HB3 LEU 34 1HB LEU 34 0.018 -1.124 -4.768 285 HG LEU 34 HG LEU 34 1.010 -3.951 -5.083 286 HD11 LEU 34 1HD1 LEU 34 -0.709 -4.124 -6.826 287 HD12 LEU 34 2HD1 LEU 34 -1.268 -2.501 -6.414 288 HD13 LEU 34 3HD1 LEU 34 -1.406 -3.806 -5.236 289 HD21 LEU 34 3HD2 LEU 34 1.517 -3.318 -7.398 290 HD22 LEU 34 1HD2 LEU 34 2.467 -2.382 -6.245 291 HD23 LEU 34 2HD2 LEU 34 1.069 -1.653 -7.035 292 H GLN 35 H GLN 35 3.551 -0.427 -2.529 293 HA GLN 35 HA GLN 35 1.810 1.120 -0.742 294 HB2 GLN 35 2HB GLN 35 4.793 0.626 -0.713 295 HB3 GLN 35 1HB GLN 35 3.915 1.566 0.477 296 HG2 GLN 35 2HG GLN 35 2.798 -0.416 1.243 297 HG3 GLN 35 1HG GLN 35 3.567 -1.378 -0.019 298 HE21 GLN 35 1HE2 GLN 35 4.020 0.272 2.997 299 HE22 GLN 35 2HE2 GLN 35 5.578 -0.368 3.343 300 H GLY 36 H GLY 36 1.460 3.158 -1.524 301 HA2 GLY 36 2HA GLY 36 3.707 4.466 -2.853 302 HA3 GLY 36 1HA GLY 36 2.215 4.290 -3.763 303 H CYS 37 H CYS 37 2.462 6.622 -3.823 304 HA CYS 37 HA CYS 37 1.237 7.863 -1.460 305 HB2 CYS 37 2HB CYS 37 2.796 9.271 -3.642 306 HB3 CYS 37 1HB CYS 37 2.281 9.897 -2.089 307 H SER 38 H SER 38 -0.738 8.896 -1.888 308 HA SER 38 HA SER 38 -1.521 9.046 -4.703 309 HB2 SER 38 2HB SER 38 -2.436 6.958 -3.921 310 HB3 SER 38 1HB SER 38 -3.152 7.739 -2.506 311 HG SER 38 HG SER 38 -4.748 8.267 -3.660 312 H SER 39 H SER 39 -3.169 10.545 -5.166 313 HA SER 39 HA SER 39 -3.210 12.791 -3.361 314 HB2 SER 39 2HB SER 39 -2.878 13.060 -5.838 315 HB3 SER 39 1HB SER 39 -4.519 12.488 -6.095 316 HG SER 39 HG SER 39 -3.683 14.757 -4.642 317 H SER 40 H SER 40 -5.369 10.285 -4.554 318 HA SER 40 HA SER 40 -7.430 11.241 -2.704 319 HB2 SER 40 2HB SER 40 -8.987 9.926 -4.185 320 HB3 SER 40 1HB SER 40 -8.219 11.296 -4.992 321 HG SER 40 HG SER 40 -7.479 9.937 -6.368 322 H CYS 41 H CYS 41 -8.897 8.999 -2.284 323 HA CYS 41 HA CYS 41 -6.996 6.889 -1.661 324 HB2 CYS 41 2HB CYS 41 -7.163 7.996 0.424 325 HB3 CYS 41 1HB CYS 41 -8.909 8.168 0.278 326 H SER 42 H SER 42 -7.664 4.966 -2.237 327 HA SER 42 HA SER 42 -10.450 4.549 -2.883 328 HB2 SER 42 2HB SER 42 -8.055 2.699 -3.122 329 HB3 SER 42 1HB SER 42 -9.647 2.448 -3.844 330 HG SER 42 HG SER 42 -8.556 4.871 -4.452 331 H GLU 43 H GLU 43 -11.600 4.210 -1.109 332 HA GLU 43 HA GLU 43 -10.474 3.199 1.305 333 HB2 GLU 43 2HB GLU 43 -13.300 3.897 0.580 334 HB3 GLU 43 1HB GLU 43 -12.760 3.465 2.197 335 HG2 GLU 43 2HG GLU 43 -11.233 5.359 2.168 336 HG3 GLU 43 1HG GLU 43 -11.827 5.804 0.578 337 H THR 44 H THR 44 -9.920 1.151 1.256 338 HA THR 44 HA THR 44 -12.043 -0.807 1.272 339 HB THR 44 HB THR 44 -10.495 -2.428 0.106 340 HG1 THR 44 1HG THR 44 -9.077 -0.657 -1.297 341 HG21 THR 44 3HG2 THR 44 -12.335 -1.461 -1.183 342 HG22 THR 44 1HG2 THR 44 -10.915 -1.674 -2.207 343 HG23 THR 44 2HG2 THR 44 -11.330 -0.072 -1.596 344 H GLU 45 H GLU 45 -10.870 -2.928 2.249 345 HA GLU 45 HA GLU 45 -9.224 -1.926 4.422 346 HB2 GLU 45 2HB GLU 45 -9.506 -4.126 5.446 347 HB3 GLU 45 1HB GLU 45 -11.042 -3.350 5.076 348 HG2 GLU 45 2HG GLU 45 -11.336 -4.812 3.170 349 HG3 GLU 45 1HG GLU 45 -9.752 -5.538 3.458 350 H ASN 46 H ASN 46 -8.944 -3.511 1.525 351 HA ASN 46 HA ASN 46 -6.412 -4.770 1.978 352 HB2 ASN 46 2HB ASN 46 -7.833 -5.641 0.225 353 HB3 ASN 46 1HB ASN 46 -7.871 -4.074 -0.579 354 HD21 ASN 46 1HD2 ASN 46 -5.989 -6.909 0.082 355 HD22 ASN 46 2HD2 ASN 46 -4.760 -6.598 -1.093 356 H ASN 47 H ASN 47 -7.511 -1.657 0.717 357 HA ASN 47 HA ASN 47 -4.719 -0.857 0.548 358 HB2 ASN 47 2HB ASN 47 -5.735 -0.753 -1.630 359 HB3 ASN 47 1HB ASN 47 -7.123 0.119 -0.989 360 HD21 ASN 47 1HD2 ASN 47 -6.964 2.272 -0.608 361 HD22 ASN 47 2HD2 ASN 47 -5.622 3.228 -1.118 362 H LYS 48 H LYS 48 -4.188 0.148 2.226 363 HA LYS 48 HA LYS 48 -6.078 1.682 3.839 364 HB2 LYS 48 2HB LYS 48 -3.122 1.239 4.248 365 HB3 LYS 48 1HB LYS 48 -4.265 1.852 5.426 366 HG2 LYS 48 2HG LYS 48 -5.381 -0.319 5.478 367 HG3 LYS 48 1HG LYS 48 -4.225 -0.934 4.289 368 HD2 LYS 48 2HD LYS 48 -2.399 -0.408 5.841 369 HD3 LYS 48 1HD LYS 48 -3.582 0.114 7.039 370 HE2 LYS 48 2HE LYS 48 -4.556 -2.153 7.006 371 HE3 LYS 48 1HE LYS 48 -3.298 -2.649 5.873 372 HZ1 LYS 48 3HZ LYS 48 -2.911 -1.721 8.662 373 HZ2 LYS 48 1HZ LYS 48 -1.636 -2.033 7.610 374 HZ3 LYS 48 2HZ LYS 48 -2.671 -3.259 8.088 375 H CYS 49 H CYS 49 -5.685 3.926 4.302 376 HA CYS 49 HA CYS 49 -3.609 5.250 2.811 377 HB2 CYS 49 2HB CYS 49 -5.126 6.916 1.859 378 HB3 CYS 49 1HB CYS 49 -5.531 5.308 1.271 379 H CYS 50 H CYS 50 -2.680 6.617 4.109 380 HA CYS 50 HA CYS 50 -4.275 7.972 6.101 381 HB2 CYS 50 2HB CYS 50 -2.392 7.507 7.758 382 HB3 CYS 50 1HB CYS 50 -3.434 6.143 7.360 383 H SER 51 H SER 51 -3.152 9.896 6.896 384 HA SER 51 HA SER 51 -1.558 10.990 4.708 385 HB2 SER 51 2HB SER 51 -3.486 12.216 6.648 386 HB3 SER 51 1HB SER 51 -2.501 13.169 5.509 387 HG SER 51 HG SER 51 -3.501 12.080 3.865 388 H THR 52 H THR 52 -0.425 9.525 7.048 389 HA THR 52 HA THR 52 1.026 11.728 8.325 390 HB THR 52 HB THR 52 1.112 8.885 9.187 391 HG1 THR 52 1HG THR 52 -0.881 10.853 9.695 392 HG21 THR 52 3HG2 THR 52 1.339 11.495 10.692 393 HG22 THR 52 1HG2 THR 52 2.672 10.437 10.229 394 HG23 THR 52 2HG2 THR 52 1.485 9.895 11.418 395 H ASP 53 H ASP 53 3.258 11.549 8.343 396 HA ASP 53 HA ASP 53 4.375 10.455 5.970 397 HB2 ASP 53 2HB ASP 53 5.742 11.696 8.363 398 HB3 ASP 53 1HB ASP 53 6.611 11.135 6.940 399 H ARG 54 H ARG 54 5.117 8.600 5.555 400 HA ARG 54 HA ARG 54 5.848 6.439 5.684 401 HB2 ARG 54 2HB ARG 54 6.874 7.330 8.374 402 HB3 ARG 54 1HB ARG 54 7.320 5.828 7.575 403 HG2 ARG 54 2HG ARG 54 8.351 7.095 5.771 404 HG3 ARG 54 1HG ARG 54 7.857 8.603 6.542 405 HD2 ARG 54 2HD ARG 54 10.177 8.139 7.030 406 HD3 ARG 54 1HD ARG 54 9.216 8.026 8.504 407 HE ARG 54 HE ARG 54 9.395 5.484 7.413 408 HH11 ARG 54 1HH1 ARG 54 11.608 7.889 8.737 409 HH12 ARG 54 2HH1 ARG 54 12.720 6.765 9.367 410 HH21 ARG 54 1HH2 ARG 54 10.993 3.859 8.228 411 HH22 ARG 54 2HH2 ARG 54 12.338 4.425 9.059 412 H CYS 55 H CYS 55 3.092 7.129 6.734 413 HA CYS 55 HA CYS 55 2.814 5.061 8.743 414 HB2 CYS 55 2HB CYS 55 0.445 5.657 8.790 415 HB3 CYS 55 1HB CYS 55 1.489 7.062 8.974 416 H ASN 56 H ASN 56 2.926 5.009 5.389 417 HA ASN 56 HA ASN 56 0.844 3.021 5.074 418 HB2 ASN 56 2HB ASN 56 1.309 3.047 2.688 419 HB3 ASN 56 1HB ASN 56 1.189 4.688 3.281 420 HD21 ASN 56 1HD2 ASN 56 2.399 3.574 0.920 421 HD22 ASN 56 2HD2 ASN 56 4.064 4.007 0.894 422 H LYS 57 H LYS 57 2.759 2.204 6.820 423 HA LYS 57 HA LYS 57 4.360 0.240 5.376 424 HB2 LYS 57 2HB LYS 57 5.849 0.204 7.344 425 HB3 LYS 57 1HB LYS 57 5.706 1.809 6.643 426 HG2 LYS 57 2HG LYS 57 4.188 2.481 8.422 427 HG3 LYS 57 1HG LYS 57 4.284 0.862 9.119 428 HD2 LYS 57 2HD LYS 57 6.679 1.147 9.477 429 HD3 LYS 57 1HD LYS 57 6.607 2.751 8.753 430 HE2 LYS 57 2HE LYS 57 5.182 1.876 11.265 431 HE3 LYS 57 1HE LYS 57 6.651 2.846 11.195 432 HZ1 LYS 57 3HZ LYS 57 4.850 4.326 11.513 433 HZ2 LYS 57 1HZ LYS 57 3.923 3.624 10.300 434 HZ3 LYS 57 2HZ LYS 57 5.278 4.511 9.894 Start of MODEL 17 1 H1 LEU 1 1HT LEU 1 5.313 15.014 2.316 2 H2 LEU 1 2HT LEU 1 3.633 15.018 2.124 3 H3 LEU 1 3HT LEU 1 4.610 14.269 0.989 4 HA LEU 1 HA LEU 1 4.363 13.426 3.785 5 HB2 LEU 1 2HB LEU 1 3.003 12.556 1.293 6 HB3 LEU 1 1HB LEU 1 3.390 11.358 2.507 7 HG LEU 1 HG LEU 1 1.736 13.817 3.061 8 HD11 LEU 1 2HD1 LEU 1 0.634 12.313 1.465 9 HD12 LEU 1 3HD1 LEU 1 -0.147 12.261 3.049 10 HD13 LEU 1 1HD1 LEU 1 0.936 10.961 2.558 11 HD21 LEU 1 1HD2 LEU 1 2.886 12.923 5.001 12 HD22 LEU 1 2HD2 LEU 1 2.367 11.308 4.588 13 HD23 LEU 1 3HD2 LEU 1 1.171 12.511 5.088 14 H LYS 2 H LYS 2 5.697 11.855 4.415 15 HA LYS 2 HA LYS 2 7.612 10.983 2.399 16 HB2 LYS 2 2HB LYS 2 8.046 10.830 5.398 17 HB3 LYS 2 1HB LYS 2 9.253 10.752 4.115 18 HG2 LYS 2 2HG LYS 2 8.532 13.149 3.552 19 HG3 LYS 2 1HG LYS 2 7.709 13.053 5.114 20 HD2 LYS 2 2HD LYS 2 10.660 12.509 4.889 21 HD3 LYS 2 1HD LYS 2 10.063 14.155 4.999 22 HE2 LYS 2 2HE LYS 2 10.659 13.536 7.194 23 HE3 LYS 2 1HE LYS 2 8.908 13.442 7.140 24 HZ1 LYS 2 3HZ LYS 2 9.025 11.054 7.085 25 HZ2 LYS 2 1HZ LYS 2 9.984 11.639 8.303 26 HZ3 LYS 2 2HZ LYS 2 10.717 11.081 6.912 27 H CYS 3 H CYS 3 6.854 9.067 1.645 28 HA CYS 3 HA CYS 3 6.046 7.116 3.644 29 HB2 CYS 3 2HB CYS 3 4.403 7.811 1.194 30 HB3 CYS 3 1HB CYS 3 4.115 6.419 2.239 31 H PHE 4 H PHE 4 5.795 4.899 2.654 32 HA PHE 4 HA PHE 4 8.311 4.395 1.326 33 HB2 PHE 4 2HB PHE 4 6.210 2.427 2.267 34 HB3 PHE 4 1HB PHE 4 7.851 2.045 1.771 35 HD1 PHE 4 2HD PHE 4 9.745 2.759 3.192 36 HD2 PHE 4 1HD PHE 4 5.707 3.128 4.466 37 HE1 PHE 4 2HE PHE 4 10.497 3.003 5.513 38 HE2 PHE 4 1HE PHE 4 6.457 3.388 6.781 39 HZ PHE 4 HZ PHE 4 8.854 3.314 7.316 40 H GLN 5 H GLN 5 7.695 5.323 -0.734 41 HA GLN 5 HA GLN 5 5.625 3.907 -2.214 42 HB2 GLN 5 2HB GLN 5 5.984 6.312 -2.670 43 HB3 GLN 5 1HB GLN 5 7.602 5.941 -3.251 44 HG2 GLN 5 2HG GLN 5 6.631 4.590 -5.063 45 HG3 GLN 5 1HG GLN 5 5.020 5.014 -4.502 46 HE21 GLN 5 1HE2 GLN 5 7.704 7.263 -4.538 47 HE22 GLN 5 2HE2 GLN 5 7.100 8.266 -5.794 48 H HIS 6 H HIS 6 9.137 4.034 -2.227 49 HA HIS 6 HA HIS 6 9.123 1.805 -4.152 50 HB2 HIS 6 2HB HIS 6 11.355 3.727 -3.446 51 HB3 HIS 6 1HB HIS 6 11.530 2.360 -4.540 52 HD1 HIS 6 1HD HIS 6 9.951 2.508 -6.777 53 HD2 HIS 6 2HD HIS 6 10.470 6.006 -4.595 54 HE1 HIS 6 1HE HIS 6 9.256 4.386 -8.298 55 H GLY 7 H GLY 7 8.710 1.794 -1.223 56 HA2 GLY 7 2HA GLY 7 9.132 -0.021 0.236 57 HA3 GLY 7 1HA GLY 7 10.666 -0.295 -0.587 58 H LYS 8 H LYS 8 11.463 2.361 -0.642 59 HA LYS 8 HA LYS 8 12.249 2.733 2.128 60 HB2 LYS 8 2HB LYS 8 13.317 3.990 -0.392 61 HB3 LYS 8 1HB LYS 8 13.962 4.254 1.221 62 HG2 LYS 8 2HG LYS 8 14.463 1.812 1.340 63 HG3 LYS 8 1HG LYS 8 13.979 1.688 -0.352 64 HD2 LYS 8 2HD LYS 8 16.201 3.430 0.718 65 HD3 LYS 8 1HD LYS 8 16.408 1.882 -0.096 66 HE2 LYS 8 2HE LYS 8 15.455 2.795 -2.128 67 HE3 LYS 8 1HE LYS 8 15.136 4.326 -1.321 68 HZ1 LYS 8 3HZ LYS 8 17.473 4.655 -1.024 69 HZ2 LYS 8 1HZ LYS 8 17.149 4.395 -2.659 70 HZ3 LYS 8 2HZ LYS 8 17.836 3.162 -1.731 71 H VAL 9 H VAL 9 12.379 4.972 2.867 72 HA VAL 9 HA VAL 9 9.849 6.269 2.604 73 HB VAL 9 HB VAL 9 12.352 7.355 3.896 74 HG11 VAL 9 1HG1 VAL 9 10.797 8.611 5.323 75 HG12 VAL 9 2HG1 VAL 9 9.445 7.959 4.397 76 HG13 VAL 9 3HG1 VAL 9 10.622 9.011 3.614 77 HG21 VAL 9 3HG2 VAL 9 11.574 6.387 5.996 78 HG22 VAL 9 1HG2 VAL 9 11.904 5.142 4.796 79 HG23 VAL 9 2HG2 VAL 9 10.239 5.607 5.146 80 H VAL 10 H VAL 10 9.376 7.499 0.882 81 HA VAL 10 HA VAL 10 11.437 9.320 -0.092 82 HB VAL 10 HB VAL 10 10.593 9.119 -2.380 83 HG11 VAL 10 1HG1 VAL 10 11.340 6.894 -2.969 84 HG12 VAL 10 2HG1 VAL 10 11.274 6.412 -1.273 85 HG13 VAL 10 3HG1 VAL 10 12.419 7.652 -1.796 86 HG21 VAL 10 3HG2 VAL 10 8.768 6.956 -1.352 87 HG22 VAL 10 1HG2 VAL 10 8.998 7.411 -3.041 88 HG23 VAL 10 2HG2 VAL 10 8.274 8.557 -1.908 89 H THR 11 H THR 11 10.597 11.326 -0.848 90 HA THR 11 HA THR 11 8.213 12.033 0.554 91 HB THR 11 HB THR 11 9.925 13.752 -1.279 92 HG1 THR 11 1HG THR 11 10.521 12.691 1.043 93 HG21 THR 11 3HG2 THR 11 8.899 15.636 -0.071 94 HG22 THR 11 1HG2 THR 11 7.935 14.506 0.880 95 HG23 THR 11 2HG2 THR 11 7.659 14.656 -0.853 96 H CYS 12 H CYS 12 6.304 11.867 -0.267 97 HA CYS 12 HA CYS 12 5.818 11.459 -3.097 98 HB2 CYS 12 2HB CYS 12 3.944 11.504 -0.721 99 HB3 CYS 12 1HB CYS 12 3.527 10.987 -2.354 100 H HIS 13 H HIS 13 4.769 12.908 -4.384 101 HA HIS 13 HA HIS 13 5.479 15.575 -3.845 102 HB2 HIS 13 2HB HIS 13 5.314 14.431 -6.136 103 HB3 HIS 13 1HB HIS 13 3.587 14.742 -6.046 104 HD1 HIS 13 1HD HIS 13 2.963 16.884 -7.351 105 HD2 HIS 13 2HD HIS 13 6.773 17.062 -5.650 106 HE1 HIS 13 1HE HIS 13 3.917 19.078 -8.012 107 H ARG 14 H ARG 14 3.985 17.431 -4.127 108 HA ARG 14 HA ARG 14 2.186 17.447 -1.979 109 HB2 ARG 14 2HB ARG 14 2.599 19.502 -4.140 110 HB3 ARG 14 1HB ARG 14 1.667 19.765 -2.673 111 HG2 ARG 14 2HG ARG 14 3.692 19.354 -1.336 112 HG3 ARG 14 1HG ARG 14 4.605 19.131 -2.827 113 HD2 ARG 14 2HD ARG 14 4.938 21.374 -1.989 114 HD3 ARG 14 1HD ARG 14 4.036 21.417 -3.500 115 HE ARG 14 HE ARG 14 2.244 21.366 -1.352 116 HH11 ARG 14 1HH1 ARG 14 4.533 23.566 -2.915 117 HH12 ARG 14 2HH1 ARG 14 3.749 24.992 -2.423 118 HH21 ARG 14 1HH2 ARG 14 1.114 23.334 -0.720 119 HH22 ARG 14 2HH2 ARG 14 1.749 24.856 -1.131 120 H ASP 15 H ASP 15 1.647 16.443 -5.143 121 HA ASP 15 HA ASP 15 -1.181 17.052 -5.237 122 HB2 ASP 15 2HB ASP 15 0.449 15.048 -6.830 123 HB3 ASP 15 1HB ASP 15 -1.241 15.416 -7.123 124 H MET 16 H MET 16 0.845 14.754 -3.828 125 HA MET 16 HA MET 16 -1.228 12.749 -3.574 126 HB2 MET 16 2HB MET 16 1.754 12.711 -3.283 127 HB3 MET 16 1HB MET 16 0.826 11.403 -2.599 128 HG2 MET 16 2HG MET 16 1.559 10.726 -4.694 129 HG3 MET 16 1HG MET 16 -0.170 11.020 -4.785 130 HE1 MET 16 3HE MET 16 -0.415 11.186 -7.213 131 HE2 MET 16 1HE MET 16 1.248 10.603 -7.318 132 HE3 MET 16 2HE MET 16 0.718 11.963 -8.339 133 H LYS 17 H LYS 17 -2.529 13.205 -1.994 134 HA LYS 17 HA LYS 17 -1.482 14.277 0.504 135 HB2 LYS 17 2HB LYS 17 -4.295 13.920 -0.500 136 HB3 LYS 17 1HB LYS 17 -3.934 14.394 1.146 137 HG2 LYS 17 2HG LYS 17 -4.529 16.344 -0.068 138 HG3 LYS 17 1HG LYS 17 -2.793 16.422 0.208 139 HD2 LYS 17 2HD LYS 17 -2.358 15.734 -2.052 140 HD3 LYS 17 1HD LYS 17 -4.071 15.447 -2.342 141 HE2 LYS 17 2HE LYS 17 -2.784 18.108 -1.734 142 HE3 LYS 17 1HE LYS 17 -3.352 17.567 -3.314 143 HZ1 LYS 17 3HZ LYS 17 -4.991 18.997 -2.306 144 HZ2 LYS 17 1HZ LYS 17 -5.038 18.057 -0.913 145 HZ3 LYS 17 2HZ LYS 17 -5.608 17.445 -2.377 146 H PHE 18 H PHE 18 -2.329 11.271 -0.832 147 HA PHE 18 HA PHE 18 -2.605 10.197 1.883 148 HB2 PHE 18 2HB PHE 18 -4.195 9.296 -0.520 149 HB3 PHE 18 1HB PHE 18 -4.293 8.631 1.103 150 HD1 PHE 18 1HD PHE 18 -5.407 9.902 2.894 151 HD2 PHE 18 2HD PHE 18 -5.263 11.352 -1.107 152 HE1 PHE 18 1HE PHE 18 -7.201 11.501 3.408 153 HE2 PHE 18 2HE PHE 18 -7.042 12.944 -0.610 154 HZ PHE 18 HZ PHE 18 -8.028 13.032 1.658 155 H CYS 19 H CYS 19 -1.282 8.590 2.258 156 HA CYS 19 HA CYS 19 0.137 7.357 0.045 157 HB2 CYS 19 2HB CYS 19 0.554 6.991 3.032 158 HB3 CYS 19 1HB CYS 19 1.621 6.508 1.707 159 H TYR 20 H TYR 20 -0.057 5.065 -0.254 160 HA TYR 20 HA TYR 20 -2.210 3.880 1.317 161 HB2 TYR 20 2HB TYR 20 -3.133 2.768 -0.673 162 HB3 TYR 20 1HB TYR 20 -3.223 4.515 -0.792 163 HD1 TYR 20 1HD TYR 20 -1.539 1.489 -2.077 164 HD2 TYR 20 2HD TYR 20 -2.061 5.681 -2.526 165 HE1 TYR 20 1HE TYR 20 -0.457 1.365 -4.257 166 HE2 TYR 20 2HE TYR 20 -0.971 5.582 -4.727 167 HH TYR 20 HH TYR 20 -0.398 2.700 -6.348 168 H HIS 21 H HIS 21 -2.243 1.709 1.513 169 HA HIS 21 HA HIS 21 0.108 0.203 0.675 170 HB2 HIS 21 2HB HIS 21 0.553 0.852 2.992 171 HB3 HIS 21 1HB HIS 21 -1.046 0.325 3.482 172 HD1 HIS 21 1HD HIS 21 -0.252 -1.438 5.180 173 HD2 HIS 21 2HD HIS 21 1.380 -1.992 1.393 174 HE1 HIS 21 1HE HIS 21 0.894 -3.666 5.226 175 H ASN 22 H ASN 22 -0.668 -1.302 -0.567 176 HA ASN 22 HA ASN 22 -3.324 -2.409 -0.390 177 HB2 ASN 22 2HB ASN 22 -2.101 -2.197 -2.509 178 HB3 ASN 22 1HB ASN 22 -0.862 -3.299 -1.971 179 HD21 ASN 22 1HD2 ASN 22 -3.308 -5.015 -0.792 180 HD22 ASN 22 2HD2 ASN 22 -3.888 -5.799 -2.205 181 H THR 23 H THR 23 -3.804 -3.755 1.239 182 HA THR 23 HA THR 23 -2.041 -5.949 1.839 183 HB THR 23 HB THR 23 -1.212 -4.121 3.303 184 HG1 THR 23 1HG THR 23 -1.848 -5.293 5.408 185 HG21 THR 23 3HG2 THR 23 -4.018 -4.112 4.430 186 HG22 THR 23 1HG2 THR 23 -3.261 -2.807 3.519 187 HG23 THR 23 2HG2 THR 23 -2.650 -3.233 5.121 188 H GLY 24 H GLY 24 -3.324 -6.844 4.070 189 HA2 GLY 24 2HA GLY 24 -5.878 -6.876 4.625 190 HA3 GLY 24 1HA GLY 24 -5.939 -7.577 3.009 191 H MET 25 H MET 25 -5.236 -9.530 2.673 192 HA MET 25 HA MET 25 -4.733 -11.222 4.999 193 HB2 MET 25 2HB MET 25 -5.344 -11.908 2.114 194 HB3 MET 25 1HB MET 25 -5.170 -13.072 3.416 195 HG2 MET 25 2HG MET 25 -7.142 -12.184 4.507 196 HG3 MET 25 1HG MET 25 -7.288 -10.948 3.264 197 HE1 MET 25 3HE MET 25 -7.864 -11.408 0.760 198 HE2 MET 25 1HE MET 25 -8.194 -13.004 0.085 199 HE3 MET 25 2HE MET 25 -6.562 -12.588 0.590 200 HA PRO 26 HA PRO 26 -0.451 -11.551 3.805 201 HB2 PRO 26 2HB PRO 26 -0.696 -14.477 4.199 202 HB3 PRO 26 1HB PRO 26 0.437 -13.344 4.942 203 HG2 PRO 26 2HG PRO 26 -1.586 -14.339 6.354 204 HG3 PRO 26 1HG PRO 26 -1.090 -12.643 6.531 205 HD2 PRO 26 2HD PRO 26 -3.423 -13.779 5.035 206 HD3 PRO 26 1HD PRO 26 -3.305 -12.307 6.034 207 H PHE 27 H PHE 27 0.309 -11.589 1.904 208 HA PHE 27 HA PHE 27 -1.099 -12.725 -0.310 209 HB2 PHE 27 2HB PHE 27 1.503 -11.165 -0.199 210 HB3 PHE 27 1HB PHE 27 0.816 -11.788 -1.681 211 HD1 PHE 27 1HD PHE 27 -1.025 -10.224 1.139 212 HD2 PHE 27 2HD PHE 27 0.377 -9.847 -2.844 213 HE1 PHE 27 1HE PHE 27 -2.313 -8.144 0.898 214 HE2 PHE 27 2HE PHE 27 -0.913 -7.774 -3.116 215 HZ PHE 27 HZ PHE 27 -2.262 -6.911 -1.245 216 H ARG 28 H ARG 28 -0.669 -14.521 -1.374 217 HA ARG 28 HA ARG 28 1.725 -16.053 -0.664 218 HB2 ARG 28 2HB ARG 28 -1.115 -17.065 -0.868 219 HB3 ARG 28 1HB ARG 28 0.299 -18.083 -0.678 220 HG2 ARG 28 2HG ARG 28 -0.498 -15.988 1.321 221 HG3 ARG 28 1HG ARG 28 -1.088 -17.647 1.404 222 HD2 ARG 28 2HD ARG 28 0.791 -17.481 2.892 223 HD3 ARG 28 1HD ARG 28 1.320 -18.382 1.484 224 HE ARG 28 HE ARG 28 1.915 -15.645 1.156 225 HH11 ARG 28 1HH1 ARG 28 2.933 -18.403 3.115 226 HH12 ARG 28 2HH1 ARG 28 4.553 -17.900 3.223 227 HH21 ARG 28 1HH2 ARG 28 4.116 -14.939 1.332 228 HH22 ARG 28 2HH2 ARG 28 5.231 -15.870 2.217 229 H ASN 29 H ASN 29 2.804 -16.430 -2.457 230 HA ASN 29 HA ASN 29 3.390 -16.897 -4.567 231 HB2 ASN 29 2HB ASN 29 0.475 -17.572 -4.912 232 HB3 ASN 29 1HB ASN 29 1.671 -17.808 -6.192 233 HD21 ASN 29 1HD2 ASN 29 3.199 -19.451 -5.932 234 HD22 ASN 29 2HD2 ASN 29 2.985 -20.713 -4.768 235 H LEU 30 H LEU 30 2.236 -14.339 -3.584 236 HA LEU 30 HA LEU 30 2.121 -13.015 -6.159 237 HB2 LEU 30 2HB LEU 30 -0.220 -13.338 -5.411 238 HB3 LEU 30 1HB LEU 30 0.166 -12.536 -3.906 239 HG LEU 30 HG LEU 30 0.703 -10.478 -5.243 240 HD11 LEU 30 1HD1 LEU 30 -0.177 -10.300 -7.494 241 HD12 LEU 30 2HD1 LEU 30 -0.654 -11.995 -7.453 242 HD13 LEU 30 3HD1 LEU 30 1.052 -11.567 -7.405 243 HD21 LEU 30 3HD2 LEU 30 -2.098 -11.574 -5.372 244 HD22 LEU 30 1HD2 LEU 30 -1.653 -9.871 -5.542 245 HD23 LEU 30 2HD2 LEU 30 -1.354 -10.717 -4.021 246 H LYS 31 H LYS 31 4.289 -12.530 -5.523 247 HA LYS 31 HA LYS 31 4.542 -10.954 -3.145 248 HB2 LYS 31 2HB LYS 31 6.314 -12.566 -3.534 249 HB3 LYS 31 1HB LYS 31 6.683 -11.848 -5.093 250 HG2 LYS 31 2HG LYS 31 8.314 -11.246 -3.376 251 HG3 LYS 31 1HG LYS 31 7.472 -9.828 -4.004 252 HD2 LYS 31 2HD LYS 31 5.959 -9.943 -2.042 253 HD3 LYS 31 1HD LYS 31 6.955 -11.244 -1.388 254 HE2 LYS 31 2HE LYS 31 8.886 -9.744 -1.372 255 HE3 LYS 31 1HE LYS 31 7.891 -8.455 -2.044 256 HZ1 LYS 31 3HZ LYS 31 7.535 -9.737 0.612 257 HZ2 LYS 31 1HZ LYS 31 6.513 -8.554 -0.024 258 HZ3 LYS 31 2HZ LYS 31 8.102 -8.182 0.316 259 H LEU 32 H LEU 32 3.009 -9.519 -4.132 260 HA LEU 32 HA LEU 32 4.444 -7.305 -5.369 261 HB2 LEU 32 2HB LEU 32 1.619 -8.228 -5.864 262 HB3 LEU 32 1HB LEU 32 2.061 -6.557 -6.106 263 HG LEU 32 HG LEU 32 2.034 -7.635 -8.218 264 HD11 LEU 32 1HD1 LEU 32 4.277 -7.258 -9.041 265 HD12 LEU 32 2HD1 LEU 32 4.894 -7.252 -7.396 266 HD13 LEU 32 3HD1 LEU 32 3.770 -5.995 -7.921 267 HD21 LEU 32 3HD2 LEU 32 3.975 -9.669 -7.117 268 HD22 LEU 32 1HD2 LEU 32 3.454 -9.559 -8.799 269 HD23 LEU 32 2HD2 LEU 32 2.288 -9.959 -7.537 270 H ILE 33 H ILE 33 4.617 -5.650 -4.099 271 HA ILE 33 HA ILE 33 2.606 -5.358 -2.035 272 HB ILE 33 HB ILE 33 4.628 -6.032 -0.927 273 HG12 ILE 33 2HG1 ILE 33 5.177 -4.096 0.492 274 HG13 ILE 33 1HG1 ILE 33 4.326 -3.059 -0.644 275 HG21 ILE 33 1HG2 ILE 33 6.057 -3.869 -2.396 276 HG22 ILE 33 2HG2 ILE 33 6.261 -5.618 -2.598 277 HG23 ILE 33 3HG2 ILE 33 6.736 -4.835 -1.086 278 HD11 ILE 33 3HD1 ILE 33 2.984 -3.588 1.308 279 HD12 ILE 33 1HD1 ILE 33 3.117 -5.303 0.932 280 HD13 ILE 33 2HD1 ILE 33 2.257 -4.218 -0.170 281 H LEU 34 H LEU 34 1.338 -3.803 -2.618 282 HA LEU 34 HA LEU 34 2.448 -1.644 -4.190 283 HB2 LEU 34 2HB LEU 34 -0.429 -2.465 -3.767 284 HB3 LEU 34 1HB LEU 34 0.021 -0.990 -4.583 285 HG LEU 34 HG LEU 34 1.172 -2.384 -6.330 286 HD11 LEU 34 1HD1 LEU 34 0.634 -4.755 -6.502 287 HD12 LEU 34 2HD1 LEU 34 -0.153 -4.691 -4.923 288 HD13 LEU 34 3HD1 LEU 34 1.582 -4.407 -5.055 289 HD21 LEU 34 3HD2 LEU 34 -0.880 -3.105 -7.427 290 HD22 LEU 34 1HD2 LEU 34 -1.076 -1.519 -6.680 291 HD23 LEU 34 2HD2 LEU 34 -1.749 -2.951 -5.902 292 H GLN 35 H GLN 35 3.445 -0.427 -2.752 293 HA GLN 35 HA GLN 35 1.767 1.010 -0.803 294 HB2 GLN 35 2HB GLN 35 4.741 0.481 -0.761 295 HB3 GLN 35 1HB GLN 35 3.883 1.475 0.396 296 HG2 GLN 35 2HG GLN 35 2.739 -0.388 1.273 297 HG3 GLN 35 1HG GLN 35 3.316 -1.439 -0.017 298 HE21 GLN 35 1HE2 GLN 35 6.040 -0.317 0.090 299 HE22 GLN 35 2HE2 GLN 35 6.754 -0.947 1.523 300 H GLY 36 H GLY 36 1.340 2.939 -1.677 301 HA2 GLY 36 2HA GLY 36 3.535 4.382 -2.943 302 HA3 GLY 36 1HA GLY 36 2.086 4.094 -3.901 303 H CYS 37 H CYS 37 1.985 6.400 -4.009 304 HA CYS 37 HA CYS 37 0.408 7.445 -1.814 305 HB2 CYS 37 2HB CYS 37 2.686 8.961 -3.136 306 HB3 CYS 37 1HB CYS 37 1.526 9.635 -2.002 307 H SER 38 H SER 38 -1.286 8.658 -2.498 308 HA SER 38 HA SER 38 -1.449 9.108 -5.382 309 HB2 SER 38 2HB SER 38 -2.552 6.959 -4.849 310 HB3 SER 38 1HB SER 38 -3.618 7.799 -3.726 311 HG SER 38 HG SER 38 -4.779 7.774 -5.479 312 H SER 39 H SER 39 -2.946 10.718 -6.030 313 HA SER 39 HA SER 39 -3.292 12.945 -4.310 314 HB2 SER 39 2HB SER 39 -4.576 12.317 -6.982 315 HB3 SER 39 1HB SER 39 -4.407 13.912 -6.240 316 HG SER 39 HG SER 39 -2.113 13.470 -6.275 317 H SER 40 H SER 40 -5.371 10.369 -5.474 318 HA SER 40 HA SER 40 -7.400 11.107 -3.506 319 HB2 SER 40 2HB SER 40 -7.904 10.032 -6.290 320 HB3 SER 40 1HB SER 40 -9.113 10.573 -5.125 321 HG SER 40 HG SER 40 -8.097 12.678 -5.290 322 H CYS 41 H CYS 41 -8.052 9.250 -2.349 323 HA CYS 41 HA CYS 41 -6.949 6.724 -3.316 324 HB2 CYS 41 2HB CYS 41 -5.416 7.937 -1.707 325 HB3 CYS 41 1HB CYS 41 -6.648 7.698 -0.478 326 H SER 42 H SER 42 -8.095 4.891 -2.580 327 HA SER 42 HA SER 42 -10.758 5.488 -1.552 328 HB2 SER 42 2HB SER 42 -9.685 2.956 -2.809 329 HB3 SER 42 1HB SER 42 -11.377 3.305 -2.436 330 HG SER 42 HG SER 42 -9.709 4.713 -4.239 331 H GLU 43 H GLU 43 -10.624 5.566 0.608 332 HA GLU 43 HA GLU 43 -8.933 4.025 2.250 333 HB2 GLU 43 2HB GLU 43 -11.508 5.467 2.880 334 HB3 GLU 43 1HB GLU 43 -10.461 4.750 4.092 335 HG2 GLU 43 2HG GLU 43 -8.689 6.245 3.520 336 HG3 GLU 43 1HG GLU 43 -9.627 6.934 2.191 337 H THR 44 H THR 44 -9.025 1.911 2.442 338 HA THR 44 HA THR 44 -11.549 0.577 2.933 339 HB THR 44 HB THR 44 -10.787 -1.217 1.233 340 HG1 THR 44 1HG THR 44 -9.173 0.979 0.549 341 HG21 THR 44 3HG2 THR 44 -12.763 0.200 0.794 342 HG22 THR 44 1HG2 THR 44 -11.853 -0.089 -0.689 343 HG23 THR 44 2HG2 THR 44 -11.709 1.455 0.147 344 H GLU 45 H GLU 45 -10.909 -1.887 3.357 345 HA GLU 45 HA GLU 45 -8.674 -1.884 5.184 346 HB2 GLU 45 2HB GLU 45 -10.454 -4.160 4.259 347 HB3 GLU 45 1HB GLU 45 -9.255 -4.283 5.533 348 HG2 GLU 45 2HG GLU 45 -10.519 -2.629 6.842 349 HG3 GLU 45 1HG GLU 45 -11.733 -2.578 5.563 350 H ASN 46 H ASN 46 -9.387 -2.849 1.992 351 HA ASN 46 HA ASN 46 -7.145 -4.527 1.456 352 HB2 ASN 46 2HB ASN 46 -9.246 -4.565 0.156 353 HB3 ASN 46 1HB ASN 46 -8.934 -2.931 -0.391 354 HD21 ASN 46 1HD2 ASN 46 -9.349 -5.448 -1.816 355 HD22 ASN 46 2HD2 ASN 46 -8.008 -5.621 -2.880 356 H ASN 47 H ASN 47 -7.922 -1.140 0.624 357 HA ASN 47 HA ASN 47 -5.085 -0.695 0.236 358 HB2 ASN 47 2HB ASN 47 -6.407 -0.504 -1.780 359 HB3 ASN 47 1HB ASN 47 -7.480 0.661 -1.012 360 HD21 ASN 47 1HD2 ASN 47 -6.763 2.701 -0.689 361 HD22 ASN 47 2HD2 ASN 47 -5.355 3.336 -1.438 362 H LYS 48 H LYS 48 -4.470 0.030 2.034 363 HA LYS 48 HA LYS 48 -6.096 1.602 3.825 364 HB2 LYS 48 2HB LYS 48 -4.709 -0.167 4.695 365 HB3 LYS 48 1HB LYS 48 -3.284 0.534 3.964 366 HG2 LYS 48 2HG LYS 48 -3.377 2.395 5.527 367 HG3 LYS 48 1HG LYS 48 -4.871 1.743 6.221 368 HD2 LYS 48 2HD LYS 48 -3.736 -0.258 6.925 369 HD3 LYS 48 1HD LYS 48 -2.265 0.241 6.101 370 HE2 LYS 48 2HE LYS 48 -3.519 1.649 8.465 371 HE3 LYS 48 1HE LYS 48 -2.161 0.539 8.542 372 HZ1 LYS 48 3HZ LYS 48 -0.857 2.045 7.186 373 HZ2 LYS 48 1HZ LYS 48 -1.424 2.829 8.563 374 HZ3 LYS 48 2HZ LYS 48 -2.166 3.130 7.091 375 H CYS 49 H CYS 49 -6.324 3.695 3.338 376 HA CYS 49 HA CYS 49 -4.082 5.220 2.207 377 HB2 CYS 49 2HB CYS 49 -6.938 6.096 2.599 378 HB3 CYS 49 1HB CYS 49 -5.708 6.881 1.620 379 H CYS 50 H CYS 50 -2.987 6.592 3.450 380 HA CYS 50 HA CYS 50 -4.247 7.697 5.823 381 HB2 CYS 50 2HB CYS 50 -2.065 7.203 7.027 382 HB3 CYS 50 1HB CYS 50 -3.138 5.836 6.717 383 H SER 51 H SER 51 -3.096 9.659 6.623 384 HA SER 51 HA SER 51 -1.760 11.013 4.387 385 HB2 SER 51 2HB SER 51 -2.822 13.043 5.543 386 HB3 SER 51 1HB SER 51 -3.887 11.942 4.657 387 HG SER 51 HG SER 51 -4.669 11.191 6.475 388 H THR 52 H THR 52 -0.182 9.589 6.441 389 HA THR 52 HA THR 52 1.156 11.926 7.599 390 HB THR 52 HB THR 52 0.758 9.412 9.191 391 HG1 THR 52 1HG THR 52 -0.798 11.820 9.129 392 HG21 THR 52 3HG2 THR 52 1.280 10.868 11.111 393 HG22 THR 52 1HG2 THR 52 1.459 12.240 10.015 394 HG23 THR 52 2HG2 THR 52 2.582 10.884 9.922 395 H ASP 53 H ASP 53 3.322 11.565 8.151 396 HA ASP 53 HA ASP 53 5.019 10.359 6.371 397 HB2 ASP 53 2HB ASP 53 6.034 11.928 7.689 398 HB3 ASP 53 1HB ASP 53 5.333 11.307 9.186 399 H ARG 54 H ARG 54 5.463 8.377 5.917 400 HA ARG 54 HA ARG 54 5.790 6.177 5.929 401 HB2 ARG 54 2HB ARG 54 6.714 6.906 8.687 402 HB3 ARG 54 1HB ARG 54 6.919 5.290 8.021 403 HG2 ARG 54 2HG ARG 54 8.284 6.127 6.244 404 HG3 ARG 54 1HG ARG 54 7.938 7.789 6.707 405 HD2 ARG 54 2HD ARG 54 9.315 5.841 8.540 406 HD3 ARG 54 1HD ARG 54 10.187 6.907 7.439 407 HE ARG 54 HE ARG 54 8.460 8.517 8.835 408 HH11 ARG 54 1HH1 ARG 54 11.139 6.370 9.753 409 HH12 ARG 54 2HH1 ARG 54 11.632 7.339 11.054 410 HH21 ARG 54 1HH2 ARG 54 9.089 9.776 10.564 411 HH22 ARG 54 2HH2 ARG 54 10.438 9.360 11.556 412 H CYS 55 H CYS 55 3.097 7.017 6.615 413 HA CYS 55 HA CYS 55 2.176 5.213 8.616 414 HB2 CYS 55 2HB CYS 55 -0.039 5.921 7.930 415 HB3 CYS 55 1HB CYS 55 1.024 7.320 8.061 416 H ASN 56 H ASN 56 2.921 4.896 5.256 417 HA ASN 56 HA ASN 56 1.169 2.627 5.009 418 HB2 ASN 56 2HB ASN 56 1.659 2.574 2.613 419 HB3 ASN 56 1HB ASN 56 1.218 4.197 3.098 420 HD21 ASN 56 1HD2 ASN 56 2.554 3.363 0.780 421 HD22 ASN 56 2HD2 ASN 56 4.129 4.063 0.726 422 H LYS 57 H LYS 57 2.376 1.641 6.702 423 HA LYS 57 HA LYS 57 4.392 -0.041 5.543 424 HB2 LYS 57 2HB LYS 57 5.731 0.002 7.638 425 HB3 LYS 57 1HB LYS 57 5.622 1.558 6.829 426 HG2 LYS 57 2HG LYS 57 4.040 2.344 8.473 427 HG3 LYS 57 1HG LYS 57 4.036 0.765 9.263 428 HD2 LYS 57 2HD LYS 57 6.440 1.009 9.733 429 HD3 LYS 57 1HD LYS 57 6.424 2.594 8.963 430 HE2 LYS 57 2HE LYS 57 4.847 1.797 11.404 431 HE3 LYS 57 1HE LYS 57 6.325 2.756 11.413 432 HZ1 LYS 57 3HZ LYS 57 3.712 3.523 10.221 433 HZ2 LYS 57 1HZ LYS 57 5.124 4.437 10.074 434 HZ3 LYS 57 2HZ LYS 57 4.436 4.203 11.581 Start of MODEL 18 1 H1 LEU 1 1HT LEU 1 3.425 15.154 2.401 2 H2 LEU 1 2HT LEU 1 4.096 14.373 1.054 3 H3 LEU 1 3HT LEU 1 5.090 15.160 2.167 4 HA LEU 1 HA LEU 1 4.587 13.627 3.837 5 HB2 LEU 1 2HB LEU 1 2.699 12.557 1.789 6 HB3 LEU 1 1HB LEU 1 3.349 11.516 3.034 7 HG LEU 1 HG LEU 1 1.732 14.012 3.551 8 HD11 LEU 1 2HD1 LEU 1 0.425 12.218 2.516 9 HD12 LEU 1 3HD1 LEU 1 -0.013 12.434 4.217 10 HD13 LEU 1 1HD1 LEU 1 1.029 11.093 3.734 11 HD21 LEU 1 1HD2 LEU 1 2.823 11.850 5.334 12 HD22 LEU 1 2HD2 LEU 1 1.675 13.083 5.849 13 HD23 LEU 1 3HD2 LEU 1 3.301 13.544 5.341 14 H LYS 2 H LYS 2 6.065 12.157 4.171 15 HA LYS 2 HA LYS 2 7.254 11.037 1.805 16 HB2 LYS 2 2HB LYS 2 9.312 10.653 3.210 17 HB3 LYS 2 1HB LYS 2 8.900 12.338 2.960 18 HG2 LYS 2 2HG LYS 2 7.940 12.438 5.185 19 HG3 LYS 2 1HG LYS 2 8.343 10.739 5.434 20 HD2 LYS 2 2HD LYS 2 10.696 11.223 5.234 21 HD3 LYS 2 1HD LYS 2 10.347 12.902 4.820 22 HE2 LYS 2 2HE LYS 2 9.667 11.563 7.430 23 HE3 LYS 2 1HE LYS 2 11.018 12.666 7.163 24 HZ1 LYS 2 3HZ LYS 2 9.435 14.405 6.600 25 HZ2 LYS 2 1HZ LYS 2 9.111 13.803 8.135 26 HZ3 LYS 2 2HZ LYS 2 8.135 13.368 6.836 27 H CYS 3 H CYS 3 6.763 9.051 1.415 28 HA CYS 3 HA CYS 3 6.193 7.259 3.612 29 HB2 CYS 3 2HB CYS 3 4.283 7.851 1.353 30 HB3 CYS 3 1HB CYS 3 4.139 6.446 2.408 31 H PHE 4 H PHE 4 5.813 4.960 2.758 32 HA PHE 4 HA PHE 4 8.276 4.364 1.389 33 HB2 PHE 4 2HB PHE 4 6.163 2.505 2.488 34 HB3 PHE 4 1HB PHE 4 7.765 2.041 1.940 35 HD1 PHE 4 1HD PHE 4 9.714 2.553 3.276 36 HD2 PHE 4 2HD PHE 4 5.811 3.539 4.608 37 HE1 PHE 4 1HE PHE 4 10.568 2.842 5.551 38 HE2 PHE 4 2HE PHE 4 6.653 3.855 6.885 39 HZ PHE 4 HZ PHE 4 9.041 3.494 7.372 40 H GLN 5 H GLN 5 7.694 5.129 -0.716 41 HA GLN 5 HA GLN 5 5.534 3.760 -2.092 42 HB2 GLN 5 2HB GLN 5 6.020 6.101 -2.676 43 HB3 GLN 5 1HB GLN 5 7.619 5.628 -3.234 44 HG2 GLN 5 2HG GLN 5 6.603 4.260 -4.994 45 HG3 GLN 5 1HG GLN 5 5.005 4.735 -4.442 46 HE21 GLN 5 1HE2 GLN 5 7.744 6.925 -4.600 47 HE22 GLN 5 2HE2 GLN 5 7.119 7.889 -5.881 48 H HIS 6 H HIS 6 9.042 3.613 -2.144 49 HA HIS 6 HA HIS 6 8.818 1.366 -4.035 50 HB2 HIS 6 2HB HIS 6 11.220 3.083 -3.387 51 HB3 HIS 6 1HB HIS 6 11.212 1.742 -4.530 52 HD1 HIS 6 1HD HIS 6 10.032 2.151 -6.816 53 HD2 HIS 6 2HD HIS 6 9.997 5.417 -4.256 54 HE1 HIS 6 1HE HIS 6 9.251 4.114 -8.199 55 H GLY 7 H GLY 7 8.946 1.841 -0.921 56 HA2 GLY 7 2HA GLY 7 9.206 -0.192 0.459 57 HA3 GLY 7 1HA GLY 7 10.746 -0.426 -0.379 58 H LYS 8 H LYS 8 11.552 2.177 -0.528 59 HA LYS 8 HA LYS 8 12.223 2.745 2.232 60 HB2 LYS 8 2HB LYS 8 13.906 4.249 1.351 61 HB3 LYS 8 1HB LYS 8 14.048 2.684 0.566 62 HG2 LYS 8 2HG LYS 8 12.908 3.618 -1.425 63 HG3 LYS 8 1HG LYS 8 12.786 5.167 -0.598 64 HD2 LYS 8 2HD LYS 8 14.675 5.213 -2.125 65 HD3 LYS 8 1HD LYS 8 15.251 5.272 -0.462 66 HE2 LYS 8 2HE LYS 8 15.710 2.855 -0.554 67 HE3 LYS 8 1HE LYS 8 15.164 2.829 -2.230 68 HZ1 LYS 8 3HZ LYS 8 17.443 4.405 -1.208 69 HZ2 LYS 8 1HZ LYS 8 16.982 4.273 -2.819 70 HZ3 LYS 8 2HZ LYS 8 17.583 2.929 -1.996 71 H VAL 9 H VAL 9 12.176 4.999 2.923 72 HA VAL 9 HA VAL 9 9.605 6.178 2.426 73 HB VAL 9 HB VAL 9 11.905 7.477 3.886 74 HG11 VAL 9 1HG1 VAL 9 10.125 8.550 5.180 75 HG12 VAL 9 2HG1 VAL 9 8.936 7.743 4.156 76 HG13 VAL 9 3HG1 VAL 9 10.072 8.895 3.453 77 HG21 VAL 9 3HG2 VAL 9 9.940 5.510 5.039 78 HG22 VAL 9 1HG2 VAL 9 11.090 6.472 5.966 79 HG23 VAL 9 2HG2 VAL 9 11.671 5.254 4.830 80 H VAL 10 H VAL 10 9.210 7.576 0.785 81 HA VAL 10 HA VAL 10 11.412 9.260 -0.140 82 HB VAL 10 HB VAL 10 10.662 9.069 -2.466 83 HG11 VAL 10 1HG1 VAL 10 12.380 7.516 -1.760 84 HG12 VAL 10 2HG1 VAL 10 11.321 6.762 -2.956 85 HG13 VAL 10 3HG1 VAL 10 11.143 6.366 -1.246 86 HG21 VAL 10 3HG2 VAL 10 8.292 8.632 -2.102 87 HG22 VAL 10 1HG2 VAL 10 8.671 7.030 -1.470 88 HG23 VAL 10 2HG2 VAL 10 8.994 7.411 -3.163 89 H THR 11 H THR 11 10.759 11.314 -0.922 90 HA THR 11 HA THR 11 8.391 12.354 0.267 91 HB THR 11 HB THR 11 10.312 13.580 -1.746 92 HG1 THR 11 1HG THR 11 10.762 13.000 0.715 93 HG21 THR 11 3HG2 THR 11 8.169 14.910 -0.065 94 HG22 THR 11 1HG2 THR 11 8.141 14.722 -1.817 95 HG23 THR 11 2HG2 THR 11 9.353 15.757 -1.060 96 H CYS 12 H CYS 12 6.416 12.148 -0.547 97 HA CYS 12 HA CYS 12 6.031 11.268 -3.254 98 HB2 CYS 12 2HB CYS 12 4.115 11.672 -0.945 99 HB3 CYS 12 1HB CYS 12 3.664 11.009 -2.522 100 H HIS 13 H HIS 13 4.398 12.262 -4.633 101 HA HIS 13 HA HIS 13 5.237 14.845 -5.319 102 HB2 HIS 13 2HB HIS 13 4.296 13.059 -6.851 103 HB3 HIS 13 1HB HIS 13 2.720 13.465 -6.211 104 HD1 HIS 13 1HD HIS 13 1.492 14.703 -7.988 105 HD2 HIS 13 2HD HIS 13 5.506 15.764 -7.816 106 HE1 HIS 13 1HE HIS 13 1.823 16.489 -9.724 107 H ARG 14 H ARG 14 3.963 16.730 -5.578 108 HA ARG 14 HA ARG 14 2.899 17.908 -3.326 109 HB2 ARG 14 2HB ARG 14 2.068 19.686 -4.795 110 HB3 ARG 14 1HB ARG 14 3.662 19.168 -5.330 111 HG2 ARG 14 2HG ARG 14 2.675 17.819 -7.072 112 HG3 ARG 14 1HG ARG 14 1.067 18.213 -6.498 113 HD2 ARG 14 2HD ARG 14 1.573 20.606 -7.065 114 HD3 ARG 14 1HD ARG 14 3.061 20.030 -7.818 115 HE ARG 14 HE ARG 14 0.810 18.541 -8.667 116 HH11 ARG 14 1HH1 ARG 14 2.385 21.651 -9.248 117 HH12 ARG 14 2HH1 ARG 14 1.917 21.773 -10.876 118 HH21 ARG 14 1HH2 ARG 14 0.201 18.666 -10.939 119 HH22 ARG 14 2HH2 ARG 14 0.638 20.030 -11.862 120 H ASP 15 H ASP 15 1.230 15.996 -5.738 121 HA ASP 15 HA ASP 15 -1.398 16.920 -4.884 122 HB2 ASP 15 2HB ASP 15 -0.569 14.958 -7.026 123 HB3 ASP 15 1HB ASP 15 -2.243 15.273 -6.610 124 H MET 16 H MET 16 0.775 14.615 -4.017 125 HA MET 16 HA MET 16 -1.138 12.592 -3.344 126 HB2 MET 16 2HB MET 16 1.847 12.803 -3.266 127 HB3 MET 16 1HB MET 16 1.090 11.507 -2.380 128 HG2 MET 16 2HG MET 16 1.800 10.759 -4.518 129 HG3 MET 16 1HG MET 16 0.049 10.704 -4.383 130 HE1 MET 16 3HE MET 16 0.488 11.347 -8.111 131 HE2 MET 16 1HE MET 16 -0.271 10.399 -6.820 132 HE3 MET 16 2HE MET 16 1.481 10.337 -7.026 133 H LYS 17 H LYS 17 -2.393 13.145 -1.815 134 HA LYS 17 HA LYS 17 -1.403 14.560 0.540 135 HB2 LYS 17 2HB LYS 17 -4.234 13.850 -0.232 136 HB3 LYS 17 1HB LYS 17 -3.738 14.919 1.068 137 HG2 LYS 17 2HG LYS 17 -2.779 16.454 -0.614 138 HG3 LYS 17 1HG LYS 17 -3.397 15.395 -1.881 139 HD2 LYS 17 2HD LYS 17 -5.680 15.739 -1.049 140 HD3 LYS 17 1HD LYS 17 -5.057 16.810 0.207 141 HE2 LYS 17 2HE LYS 17 -4.125 18.258 -1.572 142 HE3 LYS 17 1HE LYS 17 -4.908 17.234 -2.774 143 HZ1 LYS 17 3HZ LYS 17 -6.278 18.805 -0.658 144 HZ2 LYS 17 1HZ LYS 17 -7.054 17.822 -1.779 145 HZ3 LYS 17 2HZ LYS 17 -6.231 19.180 -2.296 146 H PHE 18 H PHE 18 -2.119 11.452 -0.547 147 HA PHE 18 HA PHE 18 -2.358 10.470 2.198 148 HB2 PHE 18 2HB PHE 18 -3.891 9.450 -0.207 149 HB3 PHE 18 1HB PHE 18 -3.916 8.747 1.401 150 HD1 PHE 18 2HD PHE 18 -5.154 9.824 3.198 151 HD2 PHE 18 1HD PHE 18 -5.097 11.462 -0.725 152 HE1 PHE 18 2HE PHE 18 -7.091 11.239 3.760 153 HE2 PHE 18 1HE PHE 18 -7.023 12.871 -0.181 154 HZ PHE 18 HZ PHE 18 -8.033 12.761 2.072 155 H CYS 19 H CYS 19 -1.337 8.572 2.521 156 HA CYS 19 HA CYS 19 0.320 7.542 0.358 157 HB2 CYS 19 2HB CYS 19 0.537 7.136 3.352 158 HB3 CYS 19 1HB CYS 19 1.702 6.620 2.135 159 H TYR 20 H TYR 20 0.134 5.237 0.010 160 HA TYR 20 HA TYR 20 -2.046 4.060 1.518 161 HB2 TYR 20 2HB TYR 20 -3.041 3.037 -0.458 162 HB3 TYR 20 1HB TYR 20 -3.046 4.785 -0.591 163 HD1 TYR 20 2HD TYR 20 -1.532 1.660 -1.890 164 HD2 TYR 20 1HD TYR 20 -1.847 5.869 -2.352 165 HE1 TYR 20 2HE TYR 20 -0.510 1.475 -4.089 166 HE2 TYR 20 1HE TYR 20 -0.826 5.696 -4.581 167 HH TYR 20 HH TYR 20 -0.507 2.808 -6.203 168 H HIS 21 H HIS 21 -1.996 2.009 1.839 169 HA HIS 21 HA HIS 21 0.307 0.503 0.858 170 HB2 HIS 21 2HB HIS 21 0.425 0.882 3.300 171 HB3 HIS 21 1HB HIS 21 -1.201 0.247 3.497 172 HD1 HIS 21 1HD HIS 21 0.187 -1.324 5.260 173 HD2 HIS 21 2HD HIS 21 0.885 -1.977 1.220 174 HE1 HIS 21 1HE HIS 21 1.213 -3.608 5.102 175 H ASN 22 H ASN 22 -0.583 -0.479 -0.842 176 HA ASN 22 HA ASN 22 -3.237 -1.677 -0.560 177 HB2 ASN 22 2HB ASN 22 -2.881 -0.057 -2.420 178 HB3 ASN 22 1HB ASN 22 -1.607 -1.059 -3.067 179 HD21 ASN 22 1HD2 ASN 22 -4.880 -0.448 -2.867 180 HD22 ASN 22 2HD2 ASN 22 -5.479 -1.743 -3.844 181 H THR 23 H THR 23 -3.377 -3.861 -0.725 182 HA THR 23 HA THR 23 -1.001 -5.327 -1.428 183 HB THR 23 HB THR 23 -0.779 -4.943 0.967 184 HG1 THR 23 1HG THR 23 -0.084 -6.883 0.288 185 HG21 THR 23 3HG2 THR 23 -3.531 -6.182 1.258 186 HG22 THR 23 1HG2 THR 23 -3.078 -4.514 1.616 187 HG23 THR 23 2HG2 THR 23 -2.442 -5.822 2.602 188 H GLY 24 H GLY 24 -1.756 -7.859 -1.197 189 HA2 GLY 24 2HA GLY 24 -4.280 -7.881 -2.703 190 HA3 GLY 24 1HA GLY 24 -2.969 -9.032 -2.938 191 H MET 25 H MET 25 -4.567 -10.678 -2.661 192 HA MET 25 HA MET 25 -5.845 -11.005 -0.114 193 HB2 MET 25 2HB MET 25 -5.381 -12.975 -2.362 194 HB3 MET 25 1HB MET 25 -6.354 -13.307 -0.939 195 HG2 MET 25 2HG MET 25 -7.918 -11.564 -1.592 196 HG3 MET 25 1HG MET 25 -6.940 -11.197 -3.013 197 HE1 MET 25 3HE MET 25 -6.048 -14.216 -3.863 198 HE2 MET 25 1HE MET 25 -6.538 -12.953 -4.996 199 HE3 MET 25 2HE MET 25 -7.295 -14.541 -5.060 200 HA PRO 26 HA PRO 26 -2.161 -12.492 1.805 201 HB2 PRO 26 2HB PRO 26 -3.294 -13.510 4.086 202 HB3 PRO 26 1HB PRO 26 -2.957 -11.797 3.827 203 HG2 PRO 26 2HG PRO 26 -5.526 -13.283 3.576 204 HG3 PRO 26 1HG PRO 26 -5.232 -11.651 4.192 205 HD2 PRO 26 2HD PRO 26 -6.219 -12.168 1.712 206 HD3 PRO 26 1HD PRO 26 -5.254 -10.729 2.095 207 H PHE 27 H PHE 27 -1.394 -14.091 0.680 208 HA PHE 27 HA PHE 27 -2.076 -16.832 1.394 209 HB2 PHE 27 2HB PHE 27 -1.549 -15.726 -1.381 210 HB3 PHE 27 1HB PHE 27 -1.274 -17.414 -0.991 211 HD1 PHE 27 2HD PHE 27 -3.847 -14.796 -1.348 212 HD2 PHE 27 1HD PHE 27 -3.063 -18.943 -0.855 213 HE1 PHE 27 2HE PHE 27 -6.199 -15.310 -1.908 214 HE2 PHE 27 1HE PHE 27 -5.399 -19.464 -1.412 215 HZ PHE 27 HZ PHE 27 -6.972 -17.644 -1.942 216 H ARG 28 H ARG 28 -0.228 -18.160 1.531 217 HA ARG 28 HA ARG 28 2.053 -16.923 2.570 218 HB2 ARG 28 2HB ARG 28 1.894 -19.674 1.345 219 HB3 ARG 28 1HB ARG 28 3.148 -19.099 2.429 220 HG2 ARG 28 2HG ARG 28 1.468 -18.847 4.202 221 HG3 ARG 28 1HG ARG 28 0.241 -19.491 3.112 222 HD2 ARG 28 2HD ARG 28 2.715 -20.897 4.097 223 HD3 ARG 28 1HD ARG 28 1.046 -21.260 4.538 224 HE ARG 28 HE ARG 28 1.157 -21.493 1.809 225 HH11 ARG 28 1HH1 ARG 28 2.745 -23.085 4.545 226 HH12 ARG 28 2HH1 ARG 28 3.059 -24.528 3.709 227 HH21 ARG 28 1HH2 ARG 28 1.590 -23.436 0.670 228 HH22 ARG 28 2HH2 ARG 28 2.392 -24.732 1.431 229 H ASN 29 H ASN 29 3.488 -15.739 1.596 230 HA ASN 29 HA ASN 29 5.127 -15.055 0.290 231 HB2 ASN 29 2HB ASN 29 4.626 -17.574 -1.219 232 HB3 ASN 29 1HB ASN 29 5.718 -16.352 -1.879 233 HD21 ASN 29 1HD2 ASN 29 7.634 -15.937 -0.779 234 HD22 ASN 29 2HD2 ASN 29 8.296 -17.043 0.375 235 H LEU 30 H LEU 30 1.991 -15.038 -0.475 236 HA LEU 30 HA LEU 30 2.383 -13.619 -2.978 237 HB2 LEU 30 2HB LEU 30 0.374 -15.191 -2.513 238 HB3 LEU 30 1HB LEU 30 -0.218 -13.942 -1.447 239 HG LEU 30 HG LEU 30 0.186 -13.601 -4.438 240 HD11 LEU 30 1HD1 LEU 30 -1.547 -15.231 -3.979 241 HD12 LEU 30 2HD1 LEU 30 -2.238 -13.739 -4.613 242 HD13 LEU 30 3HD1 LEU 30 -2.344 -14.096 -2.889 243 HD21 LEU 30 3HD2 LEU 30 0.258 -11.463 -3.220 244 HD22 LEU 30 1HD2 LEU 30 -1.286 -11.848 -2.458 245 HD23 LEU 30 2HD2 LEU 30 -1.202 -11.592 -4.200 246 H LYS 31 H LYS 31 3.641 -12.037 -2.204 247 HA LYS 31 HA LYS 31 2.417 -10.212 -0.319 248 HB2 LYS 31 2HB LYS 31 4.771 -9.295 -0.068 249 HB3 LYS 31 1HB LYS 31 4.485 -10.899 0.580 250 HG2 LYS 31 2HG LYS 31 5.522 -11.864 -1.455 251 HG3 LYS 31 1HG LYS 31 5.874 -10.228 -2.013 252 HD2 LYS 31 2HD LYS 31 7.255 -9.845 -0.032 253 HD3 LYS 31 1HD LYS 31 6.874 -11.464 0.555 254 HE2 LYS 31 2HE LYS 31 7.937 -12.422 -1.441 255 HE3 LYS 31 1HE LYS 31 8.340 -10.799 -1.996 256 HZ1 LYS 31 3HZ LYS 31 9.681 -10.520 0.028 257 HZ2 LYS 31 1HZ LYS 31 10.215 -11.818 -0.902 258 HZ3 LYS 31 2HZ LYS 31 9.324 -12.092 0.490 259 H LEU 32 H LEU 32 1.106 -9.214 -1.737 260 HA LEU 32 HA LEU 32 2.277 -7.879 -3.991 261 HB2 LEU 32 2HB LEU 32 0.014 -8.751 -4.228 262 HB3 LEU 32 1HB LEU 32 -0.519 -7.823 -2.843 263 HG LEU 32 HG LEU 32 -0.179 -5.736 -4.081 264 HD11 LEU 32 1HD1 LEU 32 0.320 -5.756 -6.462 265 HD12 LEU 32 2HD1 LEU 32 0.562 -7.497 -6.410 266 HD13 LEU 32 3HD1 LEU 32 1.651 -6.427 -5.525 267 HD21 LEU 32 3HD2 LEU 32 -1.843 -7.759 -5.573 268 HD22 LEU 32 1HD2 LEU 32 -1.993 -6.006 -5.702 269 HD23 LEU 32 2HD2 LEU 32 -2.355 -6.813 -4.176 270 H ILE 33 H ILE 33 3.536 -6.295 -3.496 271 HA ILE 33 HA ILE 33 2.729 -4.490 -1.374 272 HB ILE 33 HB ILE 33 5.459 -5.037 -2.571 273 HG12 ILE 33 2HG1 ILE 33 4.709 -6.619 -0.865 274 HG13 ILE 33 1HG1 ILE 33 6.054 -5.650 -0.276 275 HG21 ILE 33 1HG2 ILE 33 6.400 -3.332 -1.101 276 HG22 ILE 33 2HG2 ILE 33 4.784 -2.886 -0.567 277 HG23 ILE 33 3HG2 ILE 33 5.260 -2.617 -2.246 278 HD11 ILE 33 3HD1 ILE 33 4.449 -5.850 1.495 279 HD12 ILE 33 1HD1 ILE 33 3.140 -5.321 0.423 280 HD13 ILE 33 2HD1 ILE 33 4.398 -4.192 0.867 281 H LEU 34 H LEU 34 1.408 -3.158 -2.250 282 HA LEU 34 HA LEU 34 2.472 -1.474 -4.368 283 HB2 LEU 34 2HB LEU 34 -0.357 -2.239 -3.731 284 HB3 LEU 34 1HB LEU 34 0.039 -0.932 -4.850 285 HG LEU 34 HG LEU 34 0.566 -3.883 -5.143 286 HD11 LEU 34 1HD1 LEU 34 -1.024 -3.741 -6.990 287 HD12 LEU 34 2HD1 LEU 34 -1.278 -2.032 -6.634 288 HD13 LEU 34 3HD1 LEU 34 -1.757 -3.257 -5.461 289 HD21 LEU 34 3HD2 LEU 34 1.318 -3.329 -7.432 290 HD22 LEU 34 1HD2 LEU 34 2.370 -2.682 -6.174 291 HD23 LEU 34 2HD2 LEU 34 1.239 -1.616 -7.007 292 H GLN 35 H GLN 35 3.486 -0.772 -2.291 293 HA GLN 35 HA GLN 35 1.779 0.976 -0.725 294 HB2 GLN 35 2HB GLN 35 4.729 0.345 -0.556 295 HB3 GLN 35 1HB GLN 35 3.858 1.385 0.568 296 HG2 GLN 35 2HG GLN 35 2.529 -0.517 1.274 297 HG3 GLN 35 1HG GLN 35 3.361 -1.551 0.117 298 HE21 GLN 35 1HE2 GLN 35 4.960 0.933 1.975 299 HE22 GLN 35 2HE2 GLN 35 5.843 -0.121 2.998 300 H GLY 36 H GLY 36 1.423 2.936 -1.542 301 HA2 GLY 36 2HA GLY 36 3.659 4.363 -2.764 302 HA3 GLY 36 1HA GLY 36 2.201 4.133 -3.725 303 H CYS 37 H CYS 37 2.242 6.504 -3.727 304 HA CYS 37 HA CYS 37 0.605 7.378 -1.499 305 HB2 CYS 37 2HB CYS 37 2.694 9.050 -2.947 306 HB3 CYS 37 1HB CYS 37 1.504 9.669 -1.812 307 H SER 38 H SER 38 -1.106 8.757 -2.085 308 HA SER 38 HA SER 38 -1.635 8.859 -4.949 309 HB2 SER 38 2HB SER 38 -2.736 6.837 -4.080 310 HB3 SER 38 1HB SER 38 -3.533 7.797 -2.837 311 HG SER 38 HG SER 38 -4.619 7.212 -4.955 312 H SER 39 H SER 39 -3.365 10.330 -5.411 313 HA SER 39 HA SER 39 -3.207 12.708 -3.808 314 HB2 SER 39 2HB SER 39 -3.157 12.684 -6.334 315 HB3 SER 39 1HB SER 39 -4.846 12.186 -6.306 316 HG SER 39 HG SER 39 -3.845 14.477 -5.024 317 H SER 40 H SER 40 -5.288 9.989 -4.179 318 HA SER 40 HA SER 40 -7.210 11.259 -2.418 319 HB2 SER 40 2HB SER 40 -8.953 9.950 -3.772 320 HB3 SER 40 1HB SER 40 -8.293 11.416 -4.503 321 HG SER 40 HG SER 40 -7.726 10.233 -6.063 322 H CYS 41 H CYS 41 -8.766 9.410 -1.643 323 HA CYS 41 HA CYS 41 -7.085 7.144 -0.908 324 HB2 CYS 41 2HB CYS 41 -7.602 8.330 1.082 325 HB3 CYS 41 1HB CYS 41 -9.285 8.532 0.602 326 H SER 42 H SER 42 -7.610 5.407 -2.045 327 HA SER 42 HA SER 42 -10.245 4.956 -3.010 328 HB2 SER 42 2HB SER 42 -7.915 3.030 -2.756 329 HB3 SER 42 1HB SER 42 -9.292 2.884 -3.852 330 HG SER 42 HG SER 42 -8.577 4.770 -4.907 331 H GLU 43 H GLU 43 -11.681 4.793 -1.383 332 HA GLU 43 HA GLU 43 -11.132 3.978 1.232 333 HB2 GLU 43 2HB GLU 43 -13.738 4.426 -0.176 334 HB3 GLU 43 1HB GLU 43 -13.597 4.122 1.551 335 HG2 GLU 43 2HG GLU 43 -12.382 6.108 1.886 336 HG3 GLU 43 1HG GLU 43 -12.176 6.354 0.155 337 H THR 44 H THR 44 -10.263 2.004 1.184 338 HA THR 44 HA THR 44 -12.168 -0.150 1.382 339 HB THR 44 HB THR 44 -10.509 -1.682 0.222 340 HG1 THR 44 1HG THR 44 -9.435 0.816 -0.478 341 HG21 THR 44 3HG2 THR 44 -11.167 -1.146 -2.085 342 HG22 THR 44 1HG2 THR 44 -11.678 0.458 -1.559 343 HG23 THR 44 2HG2 THR 44 -12.545 -0.972 -0.989 344 H GLU 45 H GLU 45 -11.112 -1.929 2.661 345 HA GLU 45 HA GLU 45 -9.125 -0.791 4.450 346 HB2 GLU 45 2HB GLU 45 -10.548 -3.453 4.569 347 HB3 GLU 45 1HB GLU 45 -9.476 -2.818 5.808 348 HG2 GLU 45 2HG GLU 45 -10.987 -0.938 6.161 349 HG3 GLU 45 1HG GLU 45 -12.063 -1.578 4.922 350 H ASN 46 H ASN 46 -9.342 -2.781 1.781 351 HA ASN 46 HA ASN 46 -6.901 -4.222 2.073 352 HB2 ASN 46 2HB ASN 46 -8.563 -5.089 0.562 353 HB3 ASN 46 1HB ASN 46 -8.607 -3.576 -0.335 354 HD21 ASN 46 1HD2 ASN 46 -6.757 -6.477 0.309 355 HD22 ASN 46 2HD2 ASN 46 -5.716 -6.299 -1.060 356 H ASN 47 H ASN 47 -7.826 -1.211 0.371 357 HA ASN 47 HA ASN 47 -5.015 -0.595 0.070 358 HB2 ASN 47 2HB ASN 47 -6.334 -0.306 -1.908 359 HB3 ASN 47 1HB ASN 47 -7.522 0.674 -1.056 360 HD21 ASN 47 1HD2 ASN 47 -7.057 2.785 -0.642 361 HD22 ASN 47 2HD2 ASN 47 -5.714 3.627 -1.348 362 H LYS 48 H LYS 48 -4.406 -0.025 1.932 363 HA LYS 48 HA LYS 48 -6.056 1.458 3.767 364 HB2 LYS 48 2HB LYS 48 -3.204 0.510 3.940 365 HB3 LYS 48 1HB LYS 48 -4.110 1.210 5.295 366 HG2 LYS 48 2HG LYS 48 -5.697 -0.679 5.051 367 HG3 LYS 48 1HG LYS 48 -4.642 -1.340 3.804 368 HD2 LYS 48 2HD LYS 48 -2.797 -1.381 5.469 369 HD3 LYS 48 1HD LYS 48 -3.949 -0.854 6.697 370 HE2 LYS 48 2HE LYS 48 -4.052 -3.407 5.097 371 HE3 LYS 48 1HE LYS 48 -3.676 -3.248 6.809 372 HZ1 LYS 48 3HZ LYS 48 -6.300 -2.702 5.508 373 HZ2 LYS 48 1HZ LYS 48 -5.970 -2.393 7.140 374 HZ3 LYS 48 2HZ LYS 48 -5.919 -3.959 6.550 375 H CYS 49 H CYS 49 -6.281 3.583 3.445 376 HA CYS 49 HA CYS 49 -3.976 5.054 2.421 377 HB2 CYS 49 2HB CYS 49 -5.514 6.872 1.912 378 HB3 CYS 49 1HB CYS 49 -6.135 5.377 1.226 379 H CYS 50 H CYS 50 -2.928 6.453 3.632 380 HA CYS 50 HA CYS 50 -4.035 7.309 6.184 381 HB2 CYS 50 2HB CYS 50 -1.818 6.807 7.198 382 HB3 CYS 50 1HB CYS 50 -2.673 5.357 6.670 383 H SER 51 H SER 51 -2.947 9.320 6.878 384 HA SER 51 HA SER 51 -1.275 10.463 4.805 385 HB2 SER 51 2HB SER 51 -2.484 12.658 5.219 386 HB3 SER 51 1HB SER 51 -3.388 11.424 4.337 387 HG SER 51 HG SER 51 -3.609 12.259 7.001 388 H THR 52 H THR 52 0.293 9.609 6.482 389 HA THR 52 HA THR 52 1.126 11.866 8.069 390 HB THR 52 HB THR 52 1.065 9.110 9.319 391 HG1 THR 52 1HG THR 52 -0.927 10.999 9.057 392 HG21 THR 52 3HG2 THR 52 1.384 10.349 11.420 393 HG22 THR 52 1HG2 THR 52 1.371 11.868 10.524 394 HG23 THR 52 2HG2 THR 52 2.672 10.704 10.267 395 H ASP 53 H ASP 53 3.428 11.591 8.596 396 HA ASP 53 HA ASP 53 4.895 10.568 6.390 397 HB2 ASP 53 2HB ASP 53 5.967 11.323 9.131 398 HB3 ASP 53 1HB ASP 53 6.943 10.967 7.711 399 H ARG 54 H ARG 54 5.630 8.651 5.966 400 HA ARG 54 HA ARG 54 6.163 6.477 6.077 401 HB2 ARG 54 2HB ARG 54 6.767 7.145 8.956 402 HB3 ARG 54 1HB ARG 54 7.100 5.579 8.243 403 HG2 ARG 54 2HG ARG 54 8.604 6.726 6.677 404 HG3 ARG 54 1HG ARG 54 8.309 8.220 7.580 405 HD2 ARG 54 2HD ARG 54 9.058 7.202 9.626 406 HD3 ARG 54 1HD ARG 54 9.254 5.652 8.814 407 HE ARG 54 HE ARG 54 10.743 7.910 7.849 408 HH11 ARG 54 1HH1 ARG 54 10.704 4.826 9.607 409 HH12 ARG 54 2HH1 ARG 54 12.389 4.640 9.629 410 HH21 ARG 54 1HH2 ARG 54 13.121 7.654 7.918 411 HH22 ARG 54 2HH2 ARG 54 13.792 6.283 8.679 412 H CYS 55 H CYS 55 3.322 7.294 6.736 413 HA CYS 55 HA CYS 55 2.443 5.510 8.756 414 HB2 CYS 55 2HB CYS 55 0.188 6.057 7.985 415 HB3 CYS 55 1HB CYS 55 1.184 7.495 8.192 416 H ASN 56 H ASN 56 2.976 5.088 5.338 417 HA ASN 56 HA ASN 56 1.366 2.702 5.354 418 HB2 ASN 56 2HB ASN 56 1.706 2.553 2.941 419 HB3 ASN 56 1HB ASN 56 1.222 4.182 3.374 420 HD21 ASN 56 1HD2 ASN 56 2.428 3.389 0.991 421 HD22 ASN 56 2HD2 ASN 56 3.974 4.136 0.847 422 H LYS 57 H LYS 57 2.773 1.900 7.030 423 HA LYS 57 HA LYS 57 4.879 0.311 5.826 424 HB2 LYS 57 2HB LYS 57 6.110 0.379 8.002 425 HB3 LYS 57 1HB LYS 57 6.003 1.926 7.184 426 HG2 LYS 57 2HG LYS 57 4.305 2.677 8.729 427 HG3 LYS 57 1HG LYS 57 4.274 1.092 9.508 428 HD2 LYS 57 2HD LYS 57 6.589 1.363 10.204 429 HD3 LYS 57 1HD LYS 57 6.683 2.909 9.365 430 HE2 LYS 57 2HE LYS 57 4.790 2.322 11.643 431 HE3 LYS 57 1HE LYS 57 6.363 3.086 11.842 432 HZ1 LYS 57 3HZ LYS 57 4.136 4.165 10.203 433 HZ2 LYS 57 1HZ LYS 57 5.631 4.903 10.471 434 HZ3 LYS 57 2HZ LYS 57 4.548 4.681 11.745 Start of MODEL 19 1 H1 LEU 1 1HT LEU 1 5.167 14.610 0.347 2 H2 LEU 1 2HT LEU 1 6.296 15.146 1.468 3 H3 LEU 1 3HT LEU 1 4.757 15.850 1.432 4 HA LEU 1 HA LEU 1 4.985 14.272 3.279 5 HB2 LEU 1 2HB LEU 1 2.885 14.464 1.573 6 HB3 LEU 1 1HB LEU 1 3.346 12.820 1.218 7 HG LEU 1 HG LEU 1 2.391 13.906 3.866 8 HD11 LEU 1 2HD1 LEU 1 1.139 11.954 1.961 9 HD12 LEU 1 3HD1 LEU 1 0.631 13.617 2.246 10 HD13 LEU 1 1HD1 LEU 1 0.495 12.420 3.533 11 HD21 LEU 1 1HD2 LEU 1 2.475 11.608 4.697 12 HD22 LEU 1 2HD2 LEU 1 4.083 12.188 4.260 13 HD23 LEU 1 3HD2 LEU 1 3.220 11.088 3.187 14 H LYS 2 H LYS 2 6.210 12.447 3.894 15 HA LYS 2 HA LYS 2 7.299 10.988 1.628 16 HB2 LYS 2 2HB LYS 2 9.250 10.444 3.161 17 HB3 LYS 2 1HB LYS 2 9.134 12.081 2.531 18 HG2 LYS 2 2HG LYS 2 8.270 12.830 4.678 19 HG3 LYS 2 1HG LYS 2 8.355 11.175 5.291 20 HD2 LYS 2 2HD LYS 2 10.758 11.141 4.937 21 HD3 LYS 2 1HD LYS 2 10.698 12.770 4.264 22 HE2 LYS 2 2HE LYS 2 9.987 13.659 6.390 23 HE3 LYS 2 1HE LYS 2 9.876 12.041 7.069 24 HZ1 LYS 2 3HZ LYS 2 12.252 11.787 6.789 25 HZ2 LYS 2 1HZ LYS 2 11.932 13.159 7.713 26 HZ3 LYS 2 2HZ LYS 2 12.377 13.311 6.099 27 H CYS 3 H CYS 3 6.845 9.002 1.321 28 HA CYS 3 HA CYS 3 6.234 7.267 3.562 29 HB2 CYS 3 2HB CYS 3 4.336 7.745 1.258 30 HB3 CYS 3 1HB CYS 3 4.196 6.400 2.387 31 H PHE 4 H PHE 4 5.935 4.930 2.791 32 HA PHE 4 HA PHE 4 8.331 4.360 1.298 33 HB2 PHE 4 2HB PHE 4 6.338 2.493 2.599 34 HB3 PHE 4 1HB PHE 4 7.879 2.021 1.905 35 HD1 PHE 4 2HD PHE 4 9.945 2.491 3.058 36 HD2 PHE 4 1HD PHE 4 6.205 3.621 4.714 37 HE1 PHE 4 2HE PHE 4 11.021 2.824 5.215 38 HE2 PHE 4 1HE PHE 4 7.269 3.955 6.889 39 HZ PHE 4 HZ PHE 4 9.685 3.560 7.160 40 H GLN 5 H GLN 5 7.625 5.028 -0.869 41 HA GLN 5 HA GLN 5 5.438 3.560 -2.022 42 HB2 GLN 5 2HB GLN 5 7.540 5.268 -3.304 43 HB3 GLN 5 1HB GLN 5 6.293 4.440 -4.208 44 HG2 GLN 5 2HG GLN 5 4.601 5.721 -2.830 45 HG3 GLN 5 1HG GLN 5 5.958 6.648 -2.196 46 HE21 GLN 5 1HE2 GLN 5 7.392 6.592 -4.773 47 HE22 GLN 5 2HE2 GLN 5 6.549 7.700 -5.773 48 H HIS 6 H HIS 6 8.930 3.281 -2.262 49 HA HIS 6 HA HIS 6 8.517 0.735 -3.696 50 HB2 HIS 6 2HB HIS 6 11.030 2.418 -3.457 51 HB3 HIS 6 1HB HIS 6 10.915 0.900 -4.335 52 HD1 HIS 6 1HD HIS 6 10.804 4.443 -4.927 53 HD2 HIS 6 2HD HIS 6 8.845 1.122 -6.477 54 HE1 HIS 6 1HE HIS 6 9.867 5.170 -7.142 55 H GLY 7 H GLY 7 8.389 1.472 -0.794 56 HA2 GLY 7 2HA GLY 7 8.809 0.113 1.099 57 HA3 GLY 7 1HA GLY 7 10.127 -0.649 0.206 58 H LYS 8 H LYS 8 10.651 2.266 -0.587 59 HA LYS 8 HA LYS 8 12.367 2.928 1.688 60 HB2 LYS 8 2HB LYS 8 12.499 3.857 -1.186 61 HB3 LYS 8 1HB LYS 8 13.634 4.296 0.081 62 HG2 LYS 8 2HG LYS 8 14.294 1.953 0.292 63 HG3 LYS 8 1HG LYS 8 13.171 1.527 -1.000 64 HD2 LYS 8 2HD LYS 8 14.405 2.995 -2.531 65 HD3 LYS 8 1HD LYS 8 15.537 3.380 -1.235 66 HE2 LYS 8 2HE LYS 8 15.044 0.641 -2.403 67 HE3 LYS 8 1HE LYS 8 16.432 1.672 -2.733 68 HZ1 LYS 8 3HZ LYS 8 16.926 -0.018 -1.097 69 HZ2 LYS 8 1HZ LYS 8 15.713 0.542 -0.089 70 HZ3 LYS 8 2HZ LYS 8 17.072 1.505 -0.406 71 H VAL 9 H VAL 9 12.418 5.109 2.361 72 HA VAL 9 HA VAL 9 9.857 6.410 2.330 73 HB VAL 9 HB VAL 9 12.477 7.443 3.462 74 HG11 VAL 9 1HG1 VAL 9 11.049 8.744 4.975 75 HG12 VAL 9 2HG1 VAL 9 9.625 8.155 4.110 76 HG13 VAL 9 3HG1 VAL 9 10.820 9.155 3.277 77 HG21 VAL 9 3HG2 VAL 9 12.017 5.263 4.426 78 HG22 VAL 9 1HG2 VAL 9 10.380 5.771 4.836 79 HG23 VAL 9 2HG2 VAL 9 11.760 6.529 5.628 80 H VAL 10 H VAL 10 9.317 7.485 0.512 81 HA VAL 10 HA VAL 10 11.374 9.155 -0.738 82 HB VAL 10 HB VAL 10 10.262 8.845 -2.905 83 HG11 VAL 10 1HG1 VAL 10 11.026 6.261 -1.564 84 HG12 VAL 10 2HG1 VAL 10 12.119 7.396 -2.356 85 HG13 VAL 10 3HG1 VAL 10 10.919 6.516 -3.304 86 HG21 VAL 10 3HG2 VAL 10 8.562 7.120 -3.198 87 HG22 VAL 10 1HG2 VAL 10 8.008 8.394 -2.115 88 HG23 VAL 10 2HG2 VAL 10 8.539 6.845 -1.455 89 H THR 11 H THR 11 10.667 11.088 -1.723 90 HA THR 11 HA THR 11 8.648 12.375 -0.154 91 HB THR 11 HB THR 11 10.344 13.466 -2.412 92 HG1 THR 11 1HG THR 11 11.342 12.649 -0.346 93 HG21 THR 11 3HG2 THR 11 8.698 14.863 -0.285 94 HG22 THR 11 1HG2 THR 11 8.335 14.818 -2.009 95 HG23 THR 11 2HG2 THR 11 9.770 15.670 -1.427 96 H CYS 12 H CYS 12 6.652 11.867 -0.704 97 HA CYS 12 HA CYS 12 5.704 11.792 -3.448 98 HB2 CYS 12 2HB CYS 12 4.200 11.711 -0.824 99 HB3 CYS 12 1HB CYS 12 3.629 11.163 -2.399 100 H HIS 13 H HIS 13 4.679 13.489 -4.387 101 HA HIS 13 HA HIS 13 5.314 16.035 -3.310 102 HB2 HIS 13 2HB HIS 13 5.261 15.330 -5.798 103 HB3 HIS 13 1HB HIS 13 3.521 15.582 -5.702 104 HD1 HIS 13 1HD HIS 13 2.885 17.899 -6.555 105 HD2 HIS 13 2HD HIS 13 6.649 17.780 -4.765 106 HE1 HIS 13 1HE HIS 13 3.808 20.235 -6.698 107 H ARG 14 H ARG 14 3.444 17.793 -3.578 108 HA ARG 14 HA ARG 14 1.757 17.208 -1.337 109 HB2 ARG 14 2HB ARG 14 1.762 19.683 -3.033 110 HB3 ARG 14 1HB ARG 14 1.146 19.517 -1.394 111 HG2 ARG 14 2HG ARG 14 3.438 19.041 -0.619 112 HG3 ARG 14 1HG ARG 14 4.018 19.321 -2.261 113 HD2 ARG 14 2HD ARG 14 2.692 21.294 -0.419 114 HD3 ARG 14 1HD ARG 14 4.349 21.299 -1.008 115 HE ARG 14 HE ARG 14 2.591 21.381 -3.199 116 HH11 ARG 14 1HH1 ARG 14 3.916 23.419 -0.646 117 HH12 ARG 14 2HH1 ARG 14 3.495 24.887 -1.391 118 HH21 ARG 14 1HH2 ARG 14 2.003 23.377 -4.244 119 HH22 ARG 14 2HH2 ARG 14 2.370 24.850 -3.500 120 H ASP 15 H ASP 15 1.400 16.670 -4.575 121 HA ASP 15 HA ASP 15 -1.424 17.093 -4.806 122 HB2 ASP 15 2HB ASP 15 0.464 15.340 -6.411 123 HB3 ASP 15 1HB ASP 15 -1.220 15.630 -6.823 124 H MET 16 H MET 16 0.779 14.722 -3.703 125 HA MET 16 HA MET 16 -1.202 12.677 -3.405 126 HB2 MET 16 2HB MET 16 1.759 12.821 -2.860 127 HB3 MET 16 1HB MET 16 0.826 11.447 -2.330 128 HG2 MET 16 2HG MET 16 1.798 10.855 -4.321 129 HG3 MET 16 1HG MET 16 0.086 11.136 -4.618 130 HE1 MET 16 3HE MET 16 1.964 10.846 -6.926 131 HE2 MET 16 1HE MET 16 1.537 12.206 -7.993 132 HE3 MET 16 2HE MET 16 0.273 11.331 -7.100 133 H LYS 17 H LYS 17 -2.582 13.160 -1.949 134 HA LYS 17 HA LYS 17 -1.811 14.428 0.554 135 HB2 LYS 17 2HB LYS 17 -4.516 13.587 -0.457 136 HB3 LYS 17 1HB LYS 17 -4.208 14.501 1.004 137 HG2 LYS 17 2HG LYS 17 -3.259 16.311 -0.415 138 HG3 LYS 17 1HG LYS 17 -3.775 15.392 -1.831 139 HD2 LYS 17 2HD LYS 17 -6.084 15.452 -1.043 140 HD3 LYS 17 1HD LYS 17 -5.583 16.339 0.389 141 HE2 LYS 17 2HE LYS 17 -4.765 18.160 -1.061 142 HE3 LYS 17 1HE LYS 17 -5.371 17.274 -2.460 143 HZ1 LYS 17 3HZ LYS 17 -7.028 18.293 -0.213 144 HZ2 LYS 17 1HZ LYS 17 -7.613 17.467 -1.578 145 HZ3 LYS 17 2HZ LYS 17 -6.913 18.974 -1.737 146 H PHE 18 H PHE 18 -2.269 11.308 -0.697 147 HA PHE 18 HA PHE 18 -2.575 10.299 2.032 148 HB2 PHE 18 2HB PHE 18 -4.130 9.246 -0.330 149 HB3 PHE 18 1HB PHE 18 -4.224 8.688 1.333 150 HD1 PHE 18 1HD PHE 18 -5.156 10.282 3.082 151 HD2 PHE 18 2HD PHE 18 -5.439 11.014 -1.093 152 HE1 PHE 18 1HE PHE 18 -6.995 11.851 3.487 153 HE2 PHE 18 2HE PHE 18 -7.285 12.591 -0.697 154 HZ PHE 18 HZ PHE 18 -8.063 13.014 1.599 155 H CYS 19 H CYS 19 -1.166 8.776 2.446 156 HA CYS 19 HA CYS 19 0.236 7.452 0.285 157 HB2 CYS 19 2HB CYS 19 0.585 7.243 3.286 158 HB3 CYS 19 1HB CYS 19 1.667 6.616 2.044 159 H TYR 20 H TYR 20 0.034 5.160 0.124 160 HA TYR 20 HA TYR 20 -2.138 4.109 1.739 161 HB2 TYR 20 2HB TYR 20 -3.069 2.916 -0.211 162 HB3 TYR 20 1HB TYR 20 -3.175 4.660 -0.342 163 HD1 TYR 20 1HD TYR 20 -1.797 5.848 -1.983 164 HD2 TYR 20 2HD TYR 20 -1.758 1.610 -1.763 165 HE1 TYR 20 1HE TYR 20 -0.791 5.743 -4.220 166 HE2 TYR 20 2HE TYR 20 -0.751 1.497 -3.996 167 HH TYR 20 HH TYR 20 0.573 4.202 -5.531 168 H HIS 21 H HIS 21 -2.265 1.918 1.928 169 HA HIS 21 HA HIS 21 0.082 0.380 1.228 170 HB2 HIS 21 2HB HIS 21 0.432 1.172 3.560 171 HB3 HIS 21 1HB HIS 21 -1.142 0.535 4.005 172 HD1 HIS 21 1HD HIS 21 -0.619 -1.410 5.534 173 HD2 HIS 21 2HD HIS 21 1.824 -1.319 2.170 174 HE1 HIS 21 1HE HIS 21 0.732 -3.502 5.620 175 H ASN 22 H ASN 22 -0.934 -0.893 -0.176 176 HA ASN 22 HA ASN 22 -3.387 -2.258 0.667 177 HB2 ASN 22 2HB ASN 22 -3.545 -1.007 -1.449 178 HB3 ASN 22 1HB ASN 22 -2.127 -1.859 -2.045 179 HD21 ASN 22 1HD2 ASN 22 -5.463 -2.077 -1.304 180 HD22 ASN 22 2HD2 ASN 22 -5.809 -3.524 -2.190 181 H THR 23 H THR 23 -2.664 -3.889 1.790 182 HA THR 23 HA THR 23 -0.183 -5.141 1.043 183 HB THR 23 HB THR 23 -0.272 -4.494 3.311 184 HG1 THR 23 1HG THR 23 -0.248 -6.677 4.344 185 HG21 THR 23 3HG2 THR 23 -2.802 -6.132 3.586 186 HG22 THR 23 1HG2 THR 23 -2.666 -4.375 3.680 187 HG23 THR 23 2HG2 THR 23 -1.931 -5.379 4.925 188 H GLY 24 H GLY 24 0.156 -7.158 0.480 189 HA2 GLY 24 2HA GLY 24 -1.985 -8.499 -0.821 190 HA3 GLY 24 1HA GLY 24 -0.321 -9.046 -0.694 191 H MET 25 H MET 25 -3.164 -10.106 -0.238 192 HA MET 25 HA MET 25 -3.340 -11.093 2.376 193 HB2 MET 25 2HB MET 25 -4.330 -12.269 -0.240 194 HB3 MET 25 1HB MET 25 -4.773 -12.892 1.334 195 HG2 MET 25 2HG MET 25 -6.569 -11.560 0.513 196 HG3 MET 25 1HG MET 25 -5.813 -10.690 1.842 197 HE1 MET 25 3HE MET 25 -7.028 -7.813 -0.485 198 HE2 MET 25 1HE MET 25 -7.046 -8.483 1.144 199 HE3 MET 25 2HE MET 25 -7.838 -9.350 -0.171 200 HA PRO 26 HA PRO 26 -0.184 -14.196 2.665 201 HB2 PRO 26 2HB PRO 26 -1.592 -16.335 3.701 202 HB3 PRO 26 1HB PRO 26 -0.964 -14.993 4.662 203 HG2 PRO 26 2HG PRO 26 -3.714 -15.409 3.558 204 HG3 PRO 26 1HG PRO 26 -3.236 -14.823 5.161 205 HD2 PRO 26 2HD PRO 26 -4.058 -13.118 3.303 206 HD3 PRO 26 1HD PRO 26 -2.685 -12.703 4.347 207 H PHE 27 H PHE 27 0.470 -14.778 0.736 208 HA PHE 27 HA PHE 27 -0.690 -17.185 -0.426 209 HB2 PHE 27 2HB PHE 27 0.321 -14.741 -1.879 210 HB3 PHE 27 1HB PHE 27 0.117 -16.299 -2.671 211 HD1 PHE 27 1HD PHE 27 -2.286 -17.282 -2.626 212 HD2 PHE 27 2HD PHE 27 -1.385 -13.199 -1.845 213 HE1 PHE 27 1HE PHE 27 -4.602 -16.663 -3.194 214 HE2 PHE 27 2HE PHE 27 -3.701 -12.577 -2.409 215 HZ PHE 27 HZ PHE 27 -5.310 -14.316 -3.083 216 H ARG 28 H ARG 28 0.900 -18.634 -1.138 217 HA ARG 28 HA ARG 28 3.389 -18.311 0.188 218 HB2 ARG 28 2HB ARG 28 2.463 -20.451 -1.728 219 HB3 ARG 28 1HB ARG 28 4.001 -20.479 -0.884 220 HG2 ARG 28 2HG ARG 28 2.721 -20.423 1.271 221 HG3 ARG 28 1HG ARG 28 1.251 -20.623 0.320 222 HD2 ARG 28 2HD ARG 28 2.060 -22.757 1.204 223 HD3 ARG 28 1HD ARG 28 2.088 -22.730 -0.559 224 HE ARG 28 HE ARG 28 4.556 -22.049 -0.141 225 HH11 ARG 28 1HH1 ARG 28 2.772 -24.432 1.753 226 HH12 ARG 28 2HH1 ARG 28 4.136 -25.393 2.072 227 HH21 ARG 28 1HH2 ARG 28 6.390 -23.349 0.273 228 HH22 ARG 28 2HH2 ARG 28 6.267 -24.774 1.200 229 H ASN 29 H ASN 29 4.982 -17.199 -0.455 230 HA ASN 29 HA ASN 29 6.606 -16.240 -1.641 231 HB2 ASN 29 2HB ASN 29 5.670 -18.065 -3.815 232 HB3 ASN 29 1HB ASN 29 6.991 -16.931 -4.056 233 HD21 ASN 29 1HD2 ASN 29 8.488 -18.473 -4.408 234 HD22 ASN 29 2HD2 ASN 29 9.067 -19.577 -3.214 235 H LEU 30 H LEU 30 3.446 -15.677 -2.244 236 HA LEU 30 HA LEU 30 4.135 -13.564 -4.169 237 HB2 LEU 30 2HB LEU 30 2.595 -15.320 -5.077 238 HB3 LEU 30 1HB LEU 30 1.447 -14.879 -3.827 239 HG LEU 30 HG LEU 30 1.345 -12.587 -4.789 240 HD11 LEU 30 1HD1 LEU 30 3.474 -12.580 -5.959 241 HD12 LEU 30 2HD1 LEU 30 2.139 -12.226 -7.052 242 HD13 LEU 30 3HD1 LEU 30 2.884 -13.825 -7.060 243 HD21 LEU 30 3HD2 LEU 30 -0.082 -13.219 -6.676 244 HD22 LEU 30 1HD2 LEU 30 -0.375 -14.245 -5.272 245 HD23 LEU 30 2HD2 LEU 30 0.575 -14.854 -6.627 246 H LYS 31 H LYS 31 4.042 -11.622 -3.314 247 HA LYS 31 HA LYS 31 1.821 -11.059 -1.603 248 HB2 LYS 31 2HB LYS 31 3.111 -9.696 -0.001 249 HB3 LYS 31 1HB LYS 31 3.619 -11.364 0.038 250 HG2 LYS 31 2HG LYS 31 5.121 -9.157 -1.364 251 HG3 LYS 31 1HG LYS 31 5.442 -9.685 0.279 252 HD2 LYS 31 2HD LYS 31 5.928 -11.959 -0.627 253 HD3 LYS 31 1HD LYS 31 5.729 -11.302 -2.251 254 HE2 LYS 31 2HE LYS 31 8.087 -11.364 -1.659 255 HE3 LYS 31 1HE LYS 31 7.539 -9.698 -1.813 256 HZ1 LYS 31 3HZ LYS 31 7.872 -11.152 0.766 257 HZ2 LYS 31 1HZ LYS 31 7.388 -9.549 0.599 258 HZ3 LYS 31 2HZ LYS 31 8.934 -10.006 0.148 259 H LEU 32 H LEU 32 0.812 -10.111 -3.153 260 HA LEU 32 HA LEU 32 2.072 -8.107 -4.734 261 HB2 LEU 32 2HB LEU 32 -0.050 -7.884 -5.893 262 HB3 LEU 32 1HB LEU 32 0.289 -9.575 -5.634 263 HG LEU 32 HG LEU 32 -1.718 -7.969 -4.037 264 HD11 LEU 32 1HD1 LEU 32 -3.407 -9.196 -5.298 265 HD12 LEU 32 2HD1 LEU 32 -2.133 -9.917 -6.285 266 HD13 LEU 32 3HD1 LEU 32 -2.410 -8.177 -6.333 267 HD21 LEU 32 3HD2 LEU 32 -0.864 -9.855 -2.777 268 HD22 LEU 32 1HD2 LEU 32 -1.186 -10.946 -4.130 269 HD23 LEU 32 2HD2 LEU 32 -2.527 -10.170 -3.279 270 H ILE 33 H ILE 33 2.557 -6.305 -3.922 271 HA ILE 33 HA ILE 33 0.907 -5.182 -1.785 272 HB ILE 33 HB ILE 33 2.882 -6.125 -0.782 273 HG12 ILE 33 2HG1 ILE 33 4.015 -4.092 0.172 274 HG13 ILE 33 1HG1 ILE 33 3.075 -3.140 -0.972 275 HG21 ILE 33 1HG2 ILE 33 4.368 -6.287 -2.653 276 HG22 ILE 33 2HG2 ILE 33 5.157 -5.428 -1.320 277 HG23 ILE 33 3HG2 ILE 33 4.535 -4.528 -2.701 278 HD11 ILE 33 3HD1 ILE 33 1.039 -3.862 0.040 279 HD12 ILE 33 1HD1 ILE 33 2.107 -3.162 1.252 280 HD13 ILE 33 2HD1 ILE 33 1.930 -4.915 1.151 281 H LEU 34 H LEU 34 0.072 -3.311 -2.316 282 HA LEU 34 HA LEU 34 1.610 -1.595 -4.124 283 HB2 LEU 34 2HB LEU 34 -1.405 -1.579 -3.756 284 HB3 LEU 34 1HB LEU 34 -0.485 -0.558 -4.826 285 HG LEU 34 HG LEU 34 -0.789 -3.539 -5.101 286 HD11 LEU 34 1HD1 LEU 34 -2.852 -2.328 -5.537 287 HD12 LEU 34 2HD1 LEU 34 -2.172 -2.976 -7.029 288 HD13 LEU 34 3HD1 LEU 34 -2.004 -1.260 -6.655 289 HD21 LEU 34 3HD2 LEU 34 1.347 -2.749 -5.985 290 HD22 LEU 34 1HD2 LEU 34 0.509 -1.505 -6.916 291 HD23 LEU 34 2HD2 LEU 34 0.253 -3.210 -7.288 292 H GLN 35 H GLN 35 2.663 -0.353 -2.706 293 HA GLN 35 HA GLN 35 0.998 1.181 -0.902 294 HB2 GLN 35 2HB GLN 35 2.846 1.086 0.825 295 HB3 GLN 35 1HB GLN 35 1.946 -0.403 0.542 296 HG2 GLN 35 2HG GLN 35 3.653 -1.241 -0.816 297 HG3 GLN 35 1HG GLN 35 4.599 0.242 -0.640 298 HE21 GLN 35 1HE2 GLN 35 3.914 0.419 2.271 299 HE22 GLN 35 2HE2 GLN 35 4.853 -0.782 3.034 300 H GLY 36 H GLY 36 1.038 3.086 -1.757 301 HA2 GLY 36 2HA GLY 36 3.626 4.283 -2.094 302 HA3 GLY 36 1HA GLY 36 2.581 4.275 -3.516 303 H CYS 37 H CYS 37 2.251 6.423 -3.668 304 HA CYS 37 HA CYS 37 0.656 7.617 -1.540 305 HB2 CYS 37 2HB CYS 37 2.841 9.011 -3.110 306 HB3 CYS 37 1HB CYS 37 1.759 9.764 -1.946 307 H SER 38 H SER 38 -1.127 8.618 -2.275 308 HA SER 38 HA SER 38 -1.351 8.961 -5.159 309 HB2 SER 38 2HB SER 38 -2.451 6.836 -4.513 310 HB3 SER 38 1HB SER 38 -3.444 7.713 -3.356 311 HG SER 38 HG SER 38 -4.305 7.194 -5.520 312 H SER 39 H SER 39 -3.155 10.347 -5.686 313 HA SER 39 HA SER 39 -3.199 12.682 -4.010 314 HB2 SER 39 2HB SER 39 -2.902 12.811 -6.468 315 HB3 SER 39 1HB SER 39 -4.498 12.118 -6.704 316 HG SER 39 HG SER 39 -3.872 14.544 -5.386 317 H SER 40 H SER 40 -5.062 9.866 -4.399 318 HA SER 40 HA SER 40 -7.176 10.989 -2.756 319 HB2 SER 40 2HB SER 40 -7.664 9.365 -5.273 320 HB3 SER 40 1HB SER 40 -8.903 9.953 -4.161 321 HG SER 40 HG SER 40 -7.491 12.027 -4.762 322 H CYS 41 H CYS 41 -8.481 9.130 -1.786 323 HA CYS 41 HA CYS 41 -6.643 6.948 -1.203 324 HB2 CYS 41 2HB CYS 41 -7.486 8.113 0.761 325 HB3 CYS 41 1HB CYS 41 -9.146 7.906 0.217 326 H SER 42 H SER 42 -7.014 4.975 -1.987 327 HA SER 42 HA SER 42 -9.321 4.489 -3.581 328 HB2 SER 42 2HB SER 42 -7.117 3.570 -4.170 329 HB3 SER 42 1HB SER 42 -7.138 2.631 -2.667 330 HG SER 42 HG SER 42 -8.135 1.180 -3.706 331 H GLU 43 H GLU 43 -11.081 4.239 -2.589 332 HA GLU 43 HA GLU 43 -11.207 3.210 0.081 333 HB2 GLU 43 2HB GLU 43 -13.653 3.640 -0.041 334 HB3 GLU 43 1HB GLU 43 -12.670 5.051 -0.378 335 HG2 GLU 43 2HG GLU 43 -13.076 4.809 -2.733 336 HG3 GLU 43 1HG GLU 43 -13.966 3.310 -2.431 337 H THR 44 H THR 44 -11.203 1.285 0.535 338 HA THR 44 HA THR 44 -12.929 -0.669 -0.350 339 HB THR 44 HB THR 44 -11.495 -0.660 -2.402 340 HG1 THR 44 1HG THR 44 -12.335 -2.626 -1.868 341 HG21 THR 44 3HG2 THR 44 -9.149 -1.413 -2.277 342 HG22 THR 44 1HG2 THR 44 -9.252 -1.359 -0.514 343 HG23 THR 44 2HG2 THR 44 -9.408 0.128 -1.457 344 H GLU 45 H GLU 45 -11.561 -2.897 0.498 345 HA GLU 45 HA GLU 45 -11.334 -2.123 3.279 346 HB2 GLU 45 2HB GLU 45 -11.550 -4.455 3.873 347 HB3 GLU 45 1HB GLU 45 -12.809 -4.017 2.741 348 HG2 GLU 45 2HG GLU 45 -10.326 -5.635 2.139 349 HG3 GLU 45 1HG GLU 45 -11.964 -6.255 2.296 350 H ASN 46 H ASN 46 -9.371 -3.672 0.849 351 HA ASN 46 HA ASN 46 -7.304 -4.289 2.726 352 HB2 ASN 46 2HB ASN 46 -7.795 -5.694 0.759 353 HB3 ASN 46 1HB ASN 46 -7.184 -4.407 -0.276 354 HD21 ASN 46 1HD2 ASN 46 -5.533 -5.730 -1.091 355 HD22 ASN 46 2HD2 ASN 46 -4.181 -6.169 -0.108 356 H ASN 47 H ASN 47 -7.910 -1.531 0.663 357 HA ASN 47 HA ASN 47 -5.114 -0.782 0.784 358 HB2 ASN 47 2HB ASN 47 -6.178 -0.492 -1.337 359 HB3 ASN 47 1HB ASN 47 -7.463 0.482 -0.624 360 HD21 ASN 47 1HD2 ASN 47 -7.037 2.602 -0.104 361 HD22 ASN 47 2HD2 ASN 47 -5.594 3.403 -0.630 362 H LYS 48 H LYS 48 -4.549 0.043 2.591 363 HA LYS 48 HA LYS 48 -6.388 1.751 4.077 364 HB2 LYS 48 2HB LYS 48 -3.572 0.905 4.775 365 HB3 LYS 48 1HB LYS 48 -4.713 1.702 5.853 366 HG2 LYS 48 2HG LYS 48 -4.826 -1.072 4.737 367 HG3 LYS 48 1HG LYS 48 -4.562 -0.581 6.420 368 HD2 LYS 48 2HD LYS 48 -6.857 0.331 6.470 369 HD3 LYS 48 1HD LYS 48 -7.097 -0.228 4.812 370 HE2 LYS 48 2HE LYS 48 -6.598 -2.541 5.595 371 HE3 LYS 48 1HE LYS 48 -6.566 -1.920 7.244 372 HZ1 LYS 48 3HZ LYS 48 -8.875 -1.999 5.389 373 HZ2 LYS 48 1HZ LYS 48 -8.903 -1.164 6.863 374 HZ3 LYS 48 2HZ LYS 48 -8.694 -2.825 6.831 375 H CYS 49 H CYS 49 -5.940 3.878 4.464 376 HA CYS 49 HA CYS 49 -3.671 4.990 3.006 377 HB2 CYS 49 2HB CYS 49 -5.045 6.861 2.138 378 HB3 CYS 49 1HB CYS 49 -5.519 5.300 1.484 379 H CYS 50 H CYS 50 -2.667 6.639 3.879 380 HA CYS 50 HA CYS 50 -3.710 7.803 6.314 381 HB2 CYS 50 2HB CYS 50 -1.468 7.352 7.356 382 HB3 CYS 50 1HB CYS 50 -2.464 5.920 7.083 383 H SER 51 H SER 51 -2.391 9.826 6.870 384 HA SER 51 HA SER 51 -1.201 10.859 4.395 385 HB2 SER 51 2HB SER 51 -3.075 12.263 6.294 386 HB3 SER 51 1HB SER 51 -2.336 12.969 4.847 387 HG SER 51 HG SER 51 -3.498 11.731 3.600 388 H THR 52 H THR 52 0.535 9.826 6.376 389 HA THR 52 HA THR 52 1.883 12.249 7.042 390 HB THR 52 HB THR 52 0.541 11.973 9.047 391 HG1 THR 52 1HG THR 52 2.111 12.554 10.255 392 HG21 THR 52 3HG2 THR 52 1.926 9.315 9.421 393 HG22 THR 52 1HG2 THR 52 0.225 9.521 8.987 394 HG23 THR 52 2HG2 THR 52 0.810 10.073 10.556 395 H ASP 53 H ASP 53 3.925 11.803 8.062 396 HA ASP 53 HA ASP 53 5.567 10.462 6.235 397 HB2 ASP 53 2HB ASP 53 6.735 12.093 7.290 398 HB3 ASP 53 1HB ASP 53 6.070 11.735 8.886 399 H ARG 54 H ARG 54 5.991 8.512 5.856 400 HA ARG 54 HA ARG 54 6.435 6.289 5.983 401 HB2 ARG 54 2HB ARG 54 7.056 7.032 8.811 402 HB3 ARG 54 1HB ARG 54 7.430 5.471 8.117 403 HG2 ARG 54 2HG ARG 54 8.950 6.502 6.551 404 HG3 ARG 54 1HG ARG 54 8.470 8.102 7.111 405 HD2 ARG 54 2HD ARG 54 9.713 5.988 8.833 406 HD3 ARG 54 1HD ARG 54 10.561 7.413 8.208 407 HE ARG 54 HE ARG 54 8.712 8.679 9.389 408 HH11 ARG 54 1HH1 ARG 54 10.207 5.751 10.698 409 HH12 ARG 54 2HH1 ARG 54 9.632 6.016 12.276 410 HH21 ARG 54 1HH2 ARG 54 7.921 9.009 11.485 411 HH22 ARG 54 2HH2 ARG 54 8.294 7.912 12.753 412 H CYS 55 H CYS 55 3.646 7.272 6.780 413 HA CYS 55 HA CYS 55 2.779 5.574 8.879 414 HB2 CYS 55 2HB CYS 55 0.537 6.252 8.222 415 HB3 CYS 55 1HB CYS 55 1.633 7.631 8.309 416 H ASN 56 H ASN 56 3.189 5.039 5.487 417 HA ASN 56 HA ASN 56 1.265 2.869 5.432 418 HB2 ASN 56 2HB ASN 56 1.583 2.796 3.042 419 HB3 ASN 56 1HB ASN 56 1.440 4.474 3.524 420 HD21 ASN 56 1HD2 ASN 56 2.527 3.310 1.166 421 HD22 ASN 56 2HD2 ASN 56 4.182 3.772 1.023 422 H LYS 57 H LYS 57 3.581 2.612 7.078 423 HA LYS 57 HA LYS 57 5.282 0.702 5.746 424 HB2 LYS 57 2HB LYS 57 6.517 0.553 7.904 425 HB3 LYS 57 1HB LYS 57 6.447 2.170 7.239 426 HG2 LYS 57 2HG LYS 57 4.729 2.771 8.845 427 HG3 LYS 57 1HG LYS 57 4.723 1.124 9.470 428 HD2 LYS 57 2HD LYS 57 7.085 1.386 10.125 429 HD3 LYS 57 1HD LYS 57 7.052 3.044 9.525 430 HE2 LYS 57 2HE LYS 57 6.769 2.998 11.943 431 HE3 LYS 57 1HE LYS 57 5.316 3.600 11.151 432 HZ1 LYS 57 3HZ LYS 57 5.693 0.828 12.154 433 HZ2 LYS 57 1HZ LYS 57 4.290 1.440 11.436 434 HZ3 LYS 57 2HZ LYS 57 4.804 2.038 12.918 Start of MODEL 20 1 H1 LEU 1 1HT LEU 1 3.483 15.270 2.063 2 H2 LEU 1 2HT LEU 1 4.057 14.413 0.721 3 H3 LEU 1 3HT LEU 1 5.131 15.208 1.722 4 HA LEU 1 HA LEU 1 4.633 13.770 3.538 5 HB2 LEU 1 2HB LEU 1 2.670 12.635 1.597 6 HB3 LEU 1 1HB LEU 1 3.354 11.630 2.852 7 HG LEU 1 HG LEU 1 1.740 14.139 3.320 8 HD11 LEU 1 2HD1 LEU 1 0.052 12.561 4.138 9 HD12 LEU 1 3HD1 LEU 1 1.103 11.221 3.666 10 HD13 LEU 1 1HD1 LEU 1 0.426 12.278 2.432 11 HD21 LEU 1 1HD2 LEU 1 1.787 13.353 5.667 12 HD22 LEU 1 2HD2 LEU 1 3.384 13.787 5.059 13 HD23 LEU 1 3HD2 LEU 1 2.927 12.095 5.179 14 H LYS 2 H LYS 2 6.029 12.225 3.923 15 HA LYS 2 HA LYS 2 7.292 11.091 1.594 16 HB2 LYS 2 2HB LYS 2 9.301 10.736 3.107 17 HB3 LYS 2 1HB LYS 2 8.925 12.408 2.730 18 HG2 LYS 2 2HG LYS 2 7.811 12.584 4.961 19 HG3 LYS 2 1HG LYS 2 8.369 10.949 5.316 20 HD2 LYS 2 2HD LYS 2 10.688 11.661 5.027 21 HD3 LYS 2 1HD LYS 2 10.151 13.282 4.606 22 HE2 LYS 2 2HE LYS 2 10.900 13.273 6.898 23 HE3 LYS 2 1HE LYS 2 9.157 13.500 6.864 24 HZ1 LYS 2 3HZ LYS 2 9.949 11.933 8.567 25 HZ2 LYS 2 1HZ LYS 2 10.502 10.900 7.386 26 HZ3 LYS 2 2HZ LYS 2 8.835 11.222 7.576 27 H CYS 3 H CYS 3 6.877 9.011 1.247 28 HA CYS 3 HA CYS 3 6.299 7.297 3.507 29 HB2 CYS 3 2HB CYS 3 4.334 7.764 1.252 30 HB3 CYS 3 1HB CYS 3 4.220 6.422 2.391 31 H PHE 4 H PHE 4 5.950 4.961 2.778 32 HA PHE 4 HA PHE 4 8.334 4.280 1.339 33 HB2 PHE 4 2HB PHE 4 6.159 2.521 2.504 34 HB3 PHE 4 1HB PHE 4 7.702 1.956 1.888 35 HD1 PHE 4 1HD PHE 4 9.750 2.409 3.119 36 HD2 PHE 4 2HD PHE 4 5.959 3.523 4.700 37 HE1 PHE 4 1HE PHE 4 10.744 2.633 5.347 38 HE2 PHE 4 2HE PHE 4 6.948 3.766 6.915 39 HZ PHE 4 HZ PHE 4 9.341 3.314 7.260 40 H GLN 5 H GLN 5 7.805 5.035 -0.791 41 HA GLN 5 HA GLN 5 5.533 3.807 -2.122 42 HB2 GLN 5 2HB GLN 5 6.209 6.126 -2.657 43 HB3 GLN 5 1HB GLN 5 7.694 5.506 -3.357 44 HG2 GLN 5 2HG GLN 5 6.348 4.252 -5.011 45 HG3 GLN 5 1HG GLN 5 4.894 4.977 -4.336 46 HE21 GLN 5 1HE2 GLN 5 7.957 6.613 -4.795 47 HE22 GLN 5 2HE2 GLN 5 7.405 7.714 -6.004 48 H HIS 6 H HIS 6 9.045 3.461 -2.373 49 HA HIS 6 HA HIS 6 8.541 1.128 -4.092 50 HB2 HIS 6 2HB HIS 6 10.223 2.832 -4.862 51 HB3 HIS 6 1HB HIS 6 11.223 2.424 -3.470 52 HD1 HIS 6 1HD HIS 6 13.155 1.055 -4.339 53 HD2 HIS 6 2HD HIS 6 9.567 0.144 -6.230 54 HE1 HIS 6 1HE HIS 6 13.673 -0.803 -5.939 55 H GLY 7 H GLY 7 8.808 1.851 -1.003 56 HA2 GLY 7 2HA GLY 7 8.709 -0.062 0.561 57 HA3 GLY 7 1HA GLY 7 10.164 -0.652 -0.253 58 H LYS 8 H LYS 8 11.098 2.045 -0.628 59 HA LYS 8 HA LYS 8 12.056 2.632 2.067 60 HB2 LYS 8 2HB LYS 8 13.803 3.923 0.967 61 HB3 LYS 8 1HB LYS 8 13.727 2.315 0.265 62 HG2 LYS 8 2HG LYS 8 12.475 3.218 -1.645 63 HG3 LYS 8 1HG LYS 8 12.592 4.828 -0.937 64 HD2 LYS 8 2HD LYS 8 15.042 4.668 -1.035 65 HD3 LYS 8 1HD LYS 8 14.895 3.092 -1.819 66 HE2 LYS 8 2HE LYS 8 13.633 4.163 -3.643 67 HE3 LYS 8 1HE LYS 8 13.866 5.721 -2.856 68 HZ1 LYS 8 3HZ LYS 8 15.475 5.417 -4.589 69 HZ2 LYS 8 1HZ LYS 8 15.984 3.956 -3.919 70 HZ3 LYS 8 2HZ LYS 8 16.278 5.394 -3.098 71 H VAL 9 H VAL 9 12.162 4.962 2.623 72 HA VAL 9 HA VAL 9 9.628 6.206 2.118 73 HB VAL 9 HB VAL 9 11.998 7.305 3.634 74 HG11 VAL 9 1HG1 VAL 9 10.301 8.677 4.782 75 HG12 VAL 9 2HG1 VAL 9 9.079 8.028 3.689 76 HG13 VAL 9 3HG1 VAL 9 10.410 8.995 3.052 77 HG21 VAL 9 3HG2 VAL 9 11.349 5.175 4.592 78 HG22 VAL 9 1HG2 VAL 9 9.670 5.704 4.671 79 HG23 VAL 9 2HG2 VAL 9 10.891 6.498 5.666 80 H VAL 10 H VAL 10 9.283 7.440 0.414 81 HA VAL 10 HA VAL 10 11.485 9.087 -0.573 82 HB VAL 10 HB VAL 10 10.672 8.876 -2.842 83 HG11 VAL 10 1HG1 VAL 10 11.135 6.514 -3.296 84 HG12 VAL 10 2HG1 VAL 10 10.926 6.158 -1.581 85 HG13 VAL 10 3HG1 VAL 10 12.255 7.186 -2.107 86 HG21 VAL 10 3HG2 VAL 10 8.286 8.673 -2.372 87 HG22 VAL 10 1HG2 VAL 10 8.539 7.043 -1.753 88 HG23 VAL 10 2HG2 VAL 10 8.833 7.400 -3.460 89 H THR 11 H THR 11 10.841 11.125 -1.410 90 HA THR 11 HA THR 11 8.666 12.245 0.048 91 HB THR 11 HB THR 11 10.342 13.568 -2.094 92 HG1 THR 11 1HG THR 11 11.561 14.199 -0.046 93 HG21 THR 11 3HG2 THR 11 8.368 14.806 -1.249 94 HG22 THR 11 1HG2 THR 11 9.879 15.586 -0.776 95 HG23 THR 11 2HG2 THR 11 8.979 14.625 0.395 96 H CYS 12 H CYS 12 6.646 11.962 -0.669 97 HA CYS 12 HA CYS 12 6.020 11.558 -3.456 98 HB2 CYS 12 2HB CYS 12 4.254 11.728 -0.985 99 HB3 CYS 12 1HB CYS 12 3.735 11.195 -2.589 100 H HIS 13 H HIS 13 4.505 12.930 -4.621 101 HA HIS 13 HA HIS 13 5.408 15.651 -4.420 102 HB2 HIS 13 2HB HIS 13 4.908 14.228 -6.549 103 HB3 HIS 13 1HB HIS 13 3.241 14.687 -6.270 104 HD1 HIS 13 1HD HIS 13 2.547 16.762 -7.538 105 HD2 HIS 13 2HD HIS 13 6.638 16.647 -6.771 106 HE1 HIS 13 1HE HIS 13 3.506 18.809 -8.585 107 H ARG 14 H ARG 14 3.844 17.471 -4.601 108 HA ARG 14 HA ARG 14 2.298 17.867 -2.351 109 HB2 ARG 14 2HB ARG 14 1.405 19.843 -3.439 110 HB3 ARG 14 1HB ARG 14 3.121 19.685 -3.794 111 HG2 ARG 14 2HG ARG 14 2.630 18.832 -5.997 112 HG3 ARG 14 1HG ARG 14 0.908 18.819 -5.643 113 HD2 ARG 14 2HD ARG 14 0.988 21.274 -5.391 114 HD3 ARG 14 1HD ARG 14 2.692 21.238 -5.859 115 HE ARG 14 HE ARG 14 1.353 19.896 -7.848 116 HH11 ARG 14 1HH1 ARG 14 1.149 23.169 -6.516 117 HH12 ARG 14 2HH1 ARG 14 0.658 23.865 -7.993 118 HH21 ARG 14 1HH2 ARG 14 0.658 20.860 -9.836 119 HH22 ARG 14 2HH2 ARG 14 0.352 22.530 -9.901 120 H ASP 15 H ASP 15 1.329 16.385 -5.350 121 HA ASP 15 HA ASP 15 -1.493 16.764 -5.110 122 HB2 ASP 15 2HB ASP 15 -0.035 14.541 -6.573 123 HB3 ASP 15 1HB ASP 15 -1.692 15.053 -6.837 124 H MET 16 H MET 16 0.841 14.583 -3.918 125 HA MET 16 HA MET 16 -1.063 12.578 -3.143 126 HB2 MET 16 2HB MET 16 1.923 12.742 -3.160 127 HB3 MET 16 1HB MET 16 1.126 11.447 -2.302 128 HG2 MET 16 2HG MET 16 1.677 10.622 -4.402 129 HG3 MET 16 1HG MET 16 -0.060 10.902 -4.398 130 HE1 MET 16 3HE MET 16 0.228 11.733 -7.972 131 HE2 MET 16 1HE MET 16 -0.778 11.184 -6.619 132 HE3 MET 16 2HE MET 16 0.731 10.351 -6.970 133 H LYS 17 H LYS 17 -2.211 13.174 -1.523 134 HA LYS 17 HA LYS 17 -0.897 14.299 0.843 135 HB2 LYS 17 2HB LYS 17 -3.744 14.431 -0.117 136 HB3 LYS 17 1HB LYS 17 -3.187 15.104 1.414 137 HG2 LYS 17 2HG LYS 17 -1.717 16.633 0.196 138 HG3 LYS 17 1HG LYS 17 -2.247 15.916 -1.328 139 HD2 LYS 17 2HD LYS 17 -4.530 16.657 -0.890 140 HD3 LYS 17 1HD LYS 17 -4.015 17.356 0.644 141 HE2 LYS 17 2HE LYS 17 -4.204 19.061 -1.124 142 HE3 LYS 17 1HE LYS 17 -2.555 18.913 -0.522 143 HZ1 LYS 17 3HZ LYS 17 -2.768 19.081 -2.966 144 HZ2 LYS 17 1HZ LYS 17 -3.548 17.609 -2.994 145 HZ3 LYS 17 2HZ LYS 17 -1.923 17.722 -2.490 146 H PHE 18 H PHE 18 -2.006 11.444 -0.374 147 HA PHE 18 HA PHE 18 -2.551 10.396 2.293 148 HB2 PHE 18 2HB PHE 18 -4.165 9.746 -0.197 149 HB3 PHE 18 1HB PHE 18 -4.346 8.960 1.367 150 HD1 PHE 18 1HD PHE 18 -5.370 10.145 3.241 151 HD2 PHE 18 2HD PHE 18 -5.027 11.961 -0.598 152 HE1 PHE 18 1HE PHE 18 -6.959 11.883 3.919 153 HE2 PHE 18 2HE PHE 18 -6.601 13.700 0.065 154 HZ PHE 18 HZ PHE 18 -7.583 13.675 2.338 155 H CYS 19 H CYS 19 -1.250 8.755 2.674 156 HA CYS 19 HA CYS 19 0.174 7.537 0.451 157 HB2 CYS 19 2HB CYS 19 0.573 7.272 3.447 158 HB3 CYS 19 1HB CYS 19 1.631 6.604 2.205 159 H TYR 20 H TYR 20 -0.011 5.314 0.024 160 HA TYR 20 HA TYR 20 -2.147 4.050 1.535 161 HB2 TYR 20 2HB TYR 20 -3.006 2.947 -0.480 162 HB3 TYR 20 1HB TYR 20 -3.107 4.691 -0.601 163 HD1 TYR 20 2HD TYR 20 -1.350 1.676 -1.870 164 HD2 TYR 20 1HD TYR 20 -1.965 5.847 -2.339 165 HE1 TYR 20 2HE TYR 20 -0.266 1.576 -4.070 166 HE2 TYR 20 1HE TYR 20 -0.889 5.761 -4.550 167 HH TYR 20 HH TYR 20 -0.194 2.876 -6.180 168 H HIS 21 H HIS 21 -2.095 1.962 1.817 169 HA HIS 21 HA HIS 21 0.285 0.472 1.023 170 HB2 HIS 21 2HB HIS 21 0.670 1.243 3.337 171 HB3 HIS 21 1HB HIS 21 -0.908 0.655 3.809 172 HD1 HIS 21 1HD HIS 21 0.408 -0.717 5.681 173 HD2 HIS 21 2HD HIS 21 1.196 -1.872 1.765 174 HE1 HIS 21 1HE HIS 21 1.542 -2.933 5.836 175 H ASN 22 H ASN 22 -0.800 -0.772 -0.400 176 HA ASN 22 HA ASN 22 -3.287 -2.042 0.362 177 HB2 ASN 22 2HB ASN 22 -2.665 -1.433 -2.063 178 HB3 ASN 22 1HB ASN 22 -1.501 -2.760 -1.950 179 HD21 ASN 22 1HD2 ASN 22 -4.859 -1.926 -2.304 180 HD22 ASN 22 2HD2 ASN 22 -5.418 -3.517 -2.595 181 H THR 23 H THR 23 -3.374 -3.880 1.393 182 HA THR 23 HA THR 23 -0.978 -4.925 2.502 183 HB THR 23 HB THR 23 -2.497 -6.540 3.637 184 HG1 THR 23 1HG THR 23 -4.570 -5.110 2.263 185 HG21 THR 23 3HG2 THR 23 -3.366 -3.652 3.677 186 HG22 THR 23 1HG2 THR 23 -2.052 -4.344 4.624 187 HG23 THR 23 2HG2 THR 23 -3.721 -4.833 4.940 188 H GLY 24 H GLY 24 -2.637 -5.568 -0.329 189 HA2 GLY 24 2HA GLY 24 -2.024 -6.955 -2.044 190 HA3 GLY 24 1HA GLY 24 -0.858 -7.722 -0.974 191 H MET 25 H MET 25 -1.867 -9.537 -2.286 192 HA MET 25 HA MET 25 -3.854 -10.771 -0.586 193 HB2 MET 25 2HB MET 25 -3.753 -10.876 -3.624 194 HB3 MET 25 1HB MET 25 -4.808 -11.853 -2.615 195 HG2 MET 25 2HG MET 25 -5.926 -9.822 -1.819 196 HG3 MET 25 1HG MET 25 -4.862 -8.844 -2.820 197 HE1 MET 25 3HE MET 25 -7.865 -11.343 -2.723 198 HE2 MET 25 1HE MET 25 -6.689 -12.281 -3.644 199 HE3 MET 25 2HE MET 25 -8.145 -11.669 -4.430 200 HA PRO 26 HA PRO 26 -0.089 -13.123 -0.569 201 HB2 PRO 26 2HB PRO 26 -0.766 -14.857 1.420 202 HB3 PRO 26 1HB PRO 26 -0.203 -13.207 1.702 203 HG2 PRO 26 2HG PRO 26 -2.971 -14.302 1.736 204 HG3 PRO 26 1HG PRO 26 -2.238 -13.069 2.774 205 HD2 PRO 26 2HD PRO 26 -3.909 -12.508 0.683 206 HD3 PRO 26 1HD PRO 26 -2.671 -11.387 1.278 207 H PHE 27 H PHE 27 0.138 -14.237 -2.311 208 HA PHE 27 HA PHE 27 -0.922 -16.949 -2.362 209 HB2 PHE 27 2HB PHE 27 -0.639 -15.053 -4.705 210 HB3 PHE 27 1HB PHE 27 -0.861 -16.790 -4.900 211 HD1 PHE 27 1HD PHE 27 -3.013 -17.799 -3.964 212 HD2 PHE 27 2HD PHE 27 -2.447 -13.612 -4.488 213 HE1 PHE 27 1HE PHE 27 -5.453 -17.465 -3.941 214 HE2 PHE 27 2HE PHE 27 -4.873 -13.275 -4.469 215 HZ PHE 27 HZ PHE 27 -6.385 -15.202 -4.193 216 H ARG 28 H ARG 28 0.600 -18.462 -3.035 217 HA ARG 28 HA ARG 28 3.214 -17.979 -2.284 218 HB2 ARG 28 2HB ARG 28 3.796 -20.155 -3.378 219 HB3 ARG 28 1HB ARG 28 2.425 -20.239 -2.286 220 HG2 ARG 28 2HG ARG 28 0.893 -20.250 -4.185 221 HG3 ARG 28 1HG ARG 28 2.254 -20.087 -5.292 222 HD2 ARG 28 2HD ARG 28 1.471 -22.405 -5.157 223 HD3 ARG 28 1HD ARG 28 3.124 -22.248 -4.579 224 HE ARG 28 HE ARG 28 1.418 -22.052 -2.380 225 HH11 ARG 28 1HH1 ARG 28 2.434 -24.494 -4.743 226 HH12 ARG 28 2HH1 ARG 28 2.146 -25.803 -3.690 227 HH21 ARG 28 1HH2 ARG 28 1.048 -23.869 -0.960 228 HH22 ARG 28 2HH2 ARG 28 1.349 -25.453 -1.524 229 H ASN 29 H ASN 29 4.817 -16.970 -3.089 230 HA ASN 29 HA ASN 29 6.279 -15.954 -4.386 231 HB2 ASN 29 2HB ASN 29 5.194 -17.773 -6.514 232 HB3 ASN 29 1HB ASN 29 6.515 -16.646 -6.830 233 HD21 ASN 29 1HD2 ASN 29 8.495 -16.987 -5.760 234 HD22 ASN 29 2HD2 ASN 29 8.914 -18.521 -5.090 235 H LEU 30 H LEU 30 3.276 -15.193 -4.335 236 HA LEU 30 HA LEU 30 3.658 -13.067 -6.287 237 HB2 LEU 30 2HB LEU 30 1.659 -14.461 -6.744 238 HB3 LEU 30 1HB LEU 30 1.068 -14.099 -5.136 239 HG LEU 30 HG LEU 30 0.859 -11.717 -5.751 240 HD11 LEU 30 1HD1 LEU 30 1.667 -12.641 -8.502 241 HD12 LEU 30 2HD1 LEU 30 2.585 -11.566 -7.445 242 HD13 LEU 30 3HD1 LEU 30 1.034 -11.047 -8.100 243 HD21 LEU 30 3HD2 LEU 30 -1.059 -11.968 -7.259 244 HD22 LEU 30 1HD2 LEU 30 -1.065 -13.185 -5.983 245 HD23 LEU 30 2HD2 LEU 30 -0.556 -13.621 -7.614 246 H LYS 31 H LYS 31 4.852 -11.839 -4.970 247 HA LYS 31 HA LYS 31 3.866 -11.064 -2.373 248 HB2 LYS 31 2HB LYS 31 6.305 -11.434 -2.754 249 HB3 LYS 31 1HB LYS 31 6.289 -10.166 -3.957 250 HG2 LYS 31 2HG LYS 31 7.258 -9.337 -1.905 251 HG3 LYS 31 1HG LYS 31 5.732 -8.519 -2.220 252 HD2 LYS 31 2HD LYS 31 5.935 -9.084 0.135 253 HD3 LYS 31 1HD LYS 31 4.619 -9.990 -0.608 254 HE2 LYS 31 2HE LYS 31 6.069 -11.962 -0.764 255 HE3 LYS 31 1HE LYS 31 7.399 -11.038 -0.064 256 HZ1 LYS 31 3HZ LYS 31 6.116 -10.826 1.978 257 HZ2 LYS 31 1HZ LYS 31 6.305 -12.444 1.558 258 HZ3 LYS 31 2HZ LYS 31 4.830 -11.686 1.292 259 H LEU 32 H LEU 32 1.938 -10.116 -3.074 260 HA LEU 32 HA LEU 32 2.072 -7.930 -4.950 261 HB2 LEU 32 2HB LEU 32 0.132 -9.420 -4.972 262 HB3 LEU 32 1HB LEU 32 -0.235 -8.990 -3.315 263 HG LEU 32 HG LEU 32 -0.715 -6.677 -4.031 264 HD11 LEU 32 1HD1 LEU 32 -0.943 -6.163 -6.410 265 HD12 LEU 32 2HD1 LEU 32 -0.263 -7.741 -6.813 266 HD13 LEU 32 3HD1 LEU 32 0.722 -6.542 -5.976 267 HD21 LEU 32 3HD2 LEU 32 -2.521 -8.310 -3.874 268 HD22 LEU 32 1HD2 LEU 32 -2.241 -8.789 -5.548 269 HD23 LEU 32 2HD2 LEU 32 -2.816 -7.162 -5.179 270 H ILE 33 H ILE 33 3.001 -6.211 -4.224 271 HA ILE 33 HA ILE 33 2.033 -5.062 -1.746 272 HB ILE 33 HB ILE 33 4.855 -5.436 -2.630 273 HG12 ILE 33 2HG1 ILE 33 3.915 -6.839 -0.871 274 HG13 ILE 33 1HG1 ILE 33 5.232 -5.841 -0.258 275 HG21 ILE 33 1HG2 ILE 33 4.018 -3.091 -0.945 276 HG22 ILE 33 2HG2 ILE 33 4.723 -3.018 -2.560 277 HG23 ILE 33 3HG2 ILE 33 5.680 -3.625 -1.205 278 HD11 ILE 33 3HD1 ILE 33 3.510 -4.251 0.618 279 HD12 ILE 33 1HD1 ILE 33 3.475 -5.847 1.382 280 HD13 ILE 33 2HD1 ILE 33 2.275 -5.424 0.172 281 H LEU 34 H LEU 34 1.038 -3.259 -2.018 282 HA LEU 34 HA LEU 34 2.005 -1.495 -4.129 283 HB2 LEU 34 2HB LEU 34 -0.929 -1.720 -3.387 284 HB3 LEU 34 1HB LEU 34 -0.222 -0.725 -4.618 285 HG LEU 34 HG LEU 34 -0.198 -3.736 -4.744 286 HD11 LEU 34 1HD1 LEU 34 -2.009 -3.520 -6.343 287 HD12 LEU 34 2HD1 LEU 34 -2.042 -1.776 -6.098 288 HD13 LEU 34 3HD1 LEU 34 -2.486 -2.861 -4.779 289 HD21 LEU 34 3HD2 LEU 34 0.355 -1.612 -6.821 290 HD22 LEU 34 1HD2 LEU 34 0.341 -3.352 -7.101 291 HD23 LEU 34 2HD2 LEU 34 1.562 -2.641 -6.048 292 H GLN 35 H GLN 35 3.256 -0.695 -2.397 293 HA GLN 35 HA GLN 35 1.809 0.988 -0.479 294 HB2 GLN 35 2HB GLN 35 4.730 0.246 -0.715 295 HB3 GLN 35 1HB GLN 35 4.057 1.283 0.531 296 HG2 GLN 35 2HG GLN 35 2.824 -0.526 1.442 297 HG3 GLN 35 1HG GLN 35 3.283 -1.587 0.109 298 HE21 GLN 35 1HE2 GLN 35 4.320 -0.017 3.018 299 HE22 GLN 35 2HE2 GLN 35 5.788 -0.895 3.177 300 H GLY 36 H GLY 36 1.373 2.938 -1.374 301 HA2 GLY 36 2HA GLY 36 3.574 4.313 -2.703 302 HA3 GLY 36 1HA GLY 36 2.094 4.086 -3.622 303 H CYS 37 H CYS 37 2.052 6.359 -3.738 304 HA CYS 37 HA CYS 37 0.670 7.510 -1.448 305 HB2 CYS 37 2HB CYS 37 2.775 8.875 -3.154 306 HB3 CYS 37 1HB CYS 37 1.690 9.702 -2.045 307 H SER 38 H SER 38 -1.139 8.732 -2.029 308 HA SER 38 HA SER 38 -1.641 8.911 -4.889 309 HB2 SER 38 2HB SER 38 -2.745 6.885 -3.971 310 HB3 SER 38 1HB SER 38 -3.610 7.900 -2.816 311 HG SER 38 HG SER 38 -5.031 8.000 -4.347 312 H SER 39 H SER 39 -3.347 10.427 -5.369 313 HA SER 39 HA SER 39 -3.143 12.837 -3.812 314 HB2 SER 39 2HB SER 39 -3.244 12.814 -6.332 315 HB3 SER 39 1HB SER 39 -4.912 12.258 -6.217 316 HG SER 39 HG SER 39 -4.142 14.566 -4.836 317 H SER 40 H SER 40 -5.507 10.292 -4.306 318 HA SER 40 HA SER 40 -6.964 11.375 -2.041 319 HB2 SER 40 2HB SER 40 -8.112 12.010 -4.186 320 HB3 SER 40 1HB SER 40 -8.239 10.298 -4.579 321 HG SER 40 HG SER 40 -9.957 10.261 -3.414 322 H CYS 41 H CYS 41 -7.990 9.699 -0.816 323 HA CYS 41 HA CYS 41 -6.627 7.208 -0.875 324 HB2 CYS 41 2HB CYS 41 -7.358 7.946 1.280 325 HB3 CYS 41 1HB CYS 41 -9.004 8.193 0.706 326 H SER 42 H SER 42 -7.036 5.619 -2.222 327 HA SER 42 HA SER 42 -9.553 5.430 -3.571 328 HB2 SER 42 2HB SER 42 -7.304 3.409 -3.477 329 HB3 SER 42 1HB SER 42 -8.510 3.637 -4.750 330 HG SER 42 HG SER 42 -7.511 5.900 -4.712 331 H GLU 43 H GLU 43 -10.966 5.169 -1.957 332 HA GLU 43 HA GLU 43 -10.625 3.772 0.417 333 HB2 GLU 43 2HB GLU 43 -13.169 4.594 -0.969 334 HB3 GLU 43 1HB GLU 43 -13.072 4.057 0.703 335 HG2 GLU 43 2HG GLU 43 -11.648 5.934 1.257 336 HG3 GLU 43 1HG GLU 43 -11.634 6.451 -0.425 337 H THR 44 H THR 44 -10.082 1.771 0.396 338 HA THR 44 HA THR 44 -11.957 -0.206 -0.579 339 HB THR 44 HB THR 44 -9.828 -1.547 -1.269 340 HG1 THR 44 1HG THR 44 -8.895 1.140 -1.378 341 HG21 THR 44 3HG2 THR 44 -10.789 0.748 -2.990 342 HG22 THR 44 1HG2 THR 44 -11.537 -0.846 -2.888 343 HG23 THR 44 2HG2 THR 44 -9.921 -0.672 -3.575 344 H GLU 45 H GLU 45 -11.519 -2.309 0.495 345 HA GLU 45 HA GLU 45 -10.830 -1.794 3.241 346 HB2 GLU 45 2HB GLU 45 -11.869 -4.308 1.944 347 HB3 GLU 45 1HB GLU 45 -11.679 -4.059 3.673 348 HG2 GLU 45 2HG GLU 45 -13.520 -2.519 1.853 349 HG3 GLU 45 1HG GLU 45 -13.992 -3.781 2.987 350 H ASN 46 H ASN 46 -9.371 -3.407 0.531 351 HA ASN 46 HA ASN 46 -7.517 -4.851 2.249 352 HB2 ASN 46 2HB ASN 46 -8.514 -5.790 0.087 353 HB3 ASN 46 1HB ASN 46 -7.455 -4.686 -0.776 354 HD21 ASN 46 1HD2 ASN 46 -5.281 -5.272 -1.048 355 HD22 ASN 46 2HD2 ASN 46 -4.677 -6.773 -0.436 356 H ASN 47 H ASN 47 -7.711 -1.745 1.324 357 HA ASN 47 HA ASN 47 -4.815 -1.383 1.244 358 HB2 ASN 47 2HB ASN 47 -5.595 -0.921 -0.945 359 HB3 ASN 47 1HB ASN 47 -6.963 -0.001 -0.339 360 HD21 ASN 47 1HD2 ASN 47 -6.684 2.127 0.198 361 HD22 ASN 47 2HD2 ASN 47 -5.225 2.983 -0.130 362 H LYS 48 H LYS 48 -4.021 -0.091 2.703 363 HA LYS 48 HA LYS 48 -5.826 1.355 4.498 364 HB2 LYS 48 2HB LYS 48 -2.836 0.982 4.717 365 HB3 LYS 48 1HB LYS 48 -3.930 1.506 5.979 366 HG2 LYS 48 2HG LYS 48 -4.964 -0.727 5.971 367 HG3 LYS 48 1HG LYS 48 -3.800 -1.222 4.742 368 HD2 LYS 48 2HD LYS 48 -2.762 -1.995 6.662 369 HD3 LYS 48 1HD LYS 48 -2.044 -0.395 6.520 370 HE2 LYS 48 2HE LYS 48 -4.389 -1.129 8.284 371 HE3 LYS 48 1HE LYS 48 -2.737 -0.925 8.833 372 HZ1 LYS 48 3HZ LYS 48 -4.159 0.971 9.292 373 HZ2 LYS 48 1HZ LYS 48 -4.438 1.221 7.662 374 HZ3 LYS 48 2HZ LYS 48 -2.877 1.408 8.327 375 H CYS 49 H CYS 49 -6.016 3.485 4.248 376 HA CYS 49 HA CYS 49 -3.833 4.873 2.875 377 HB2 CYS 49 2HB CYS 49 -5.503 6.499 2.029 378 HB3 CYS 49 1HB CYS 49 -5.773 4.873 1.416 379 H CYS 50 H CYS 50 -2.928 6.481 3.938 380 HA CYS 50 HA CYS 50 -4.321 7.628 6.191 381 HB2 CYS 50 2HB CYS 50 -2.090 7.331 7.459 382 HB3 CYS 50 1HB CYS 50 -3.180 5.951 7.329 383 H SER 51 H SER 51 -3.288 9.634 6.941 384 HA SER 51 HA SER 51 -2.029 10.970 4.665 385 HB2 SER 51 2HB SER 51 -3.100 13.014 5.769 386 HB3 SER 51 1HB SER 51 -4.177 11.851 4.989 387 HG SER 51 HG SER 51 -4.822 11.109 6.942 388 H THR 52 H THR 52 -0.554 9.564 6.857 389 HA THR 52 HA THR 52 0.899 11.892 7.943 390 HB THR 52 HB THR 52 0.905 9.179 9.211 391 HG1 THR 52 1HG THR 52 -1.287 10.056 9.095 392 HG21 THR 52 3HG2 THR 52 1.470 10.466 11.251 393 HG22 THR 52 1HG2 THR 52 1.392 11.955 10.309 394 HG23 THR 52 2HG2 THR 52 2.625 10.744 9.948 395 H ASP 53 H ASP 53 3.186 11.600 8.048 396 HA ASP 53 HA ASP 53 4.169 10.325 5.682 397 HB2 ASP 53 2HB ASP 53 6.276 11.260 6.087 398 HB3 ASP 53 1HB ASP 53 5.187 12.424 6.820 399 H ARG 54 H ARG 54 5.151 8.532 5.372 400 HA ARG 54 HA ARG 54 5.943 6.459 5.599 401 HB2 ARG 54 2HB ARG 54 6.696 7.367 8.374 402 HB3 ARG 54 1HB ARG 54 7.278 5.903 7.598 403 HG2 ARG 54 2HG ARG 54 8.431 7.162 5.931 404 HG3 ARG 54 1HG ARG 54 7.708 8.664 6.502 405 HD2 ARG 54 2HD ARG 54 10.010 8.437 7.255 406 HD3 ARG 54 1HD ARG 54 8.895 8.451 8.615 407 HE ARG 54 HE ARG 54 9.150 5.888 8.356 408 HH11 ARG 54 1HH1 ARG 54 11.717 8.336 8.088 409 HH12 ARG 54 2HH1 ARG 54 12.963 7.291 8.539 410 HH21 ARG 54 1HH2 ARG 54 10.849 4.452 9.027 411 HH22 ARG 54 2HH2 ARG 54 12.453 5.006 9.125 412 H CYS 55 H CYS 55 3.107 7.208 6.721 413 HA CYS 55 HA CYS 55 2.617 5.302 8.784 414 HB2 CYS 55 2HB CYS 55 0.274 5.822 8.408 415 HB3 CYS 55 1HB CYS 55 1.244 7.296 8.431 416 H ASN 56 H ASN 56 3.158 4.872 5.511 417 HA ASN 56 HA ASN 56 1.239 2.687 5.176 418 HB2 ASN 56 2HB ASN 56 1.690 2.807 2.780 419 HB3 ASN 56 1HB ASN 56 1.439 4.433 3.375 420 HD21 ASN 56 1HD2 ASN 56 2.662 3.538 1.016 421 HD22 ASN 56 2HD2 ASN 56 4.303 4.053 0.972 422 H LYS 57 H LYS 57 3.359 2.588 6.896 423 HA LYS 57 HA LYS 57 5.656 1.227 6.175 424 HB2 LYS 57 2HB LYS 57 4.763 2.701 8.108 425 HB3 LYS 57 1HB LYS 57 4.308 1.170 8.832 426 HG2 LYS 57 2HG LYS 57 7.061 1.991 7.994 427 HG3 LYS 57 1HG LYS 57 6.368 2.231 9.591 428 HD2 LYS 57 2HD LYS 57 7.681 0.278 9.860 429 HD3 LYS 57 1HD LYS 57 6.066 -0.362 9.578 430 HE2 LYS 57 2HE LYS 57 6.625 -0.745 7.244 431 HE3 LYS 57 1HE LYS 57 8.241 -0.085 7.502 432 HZ1 LYS 57 3HZ LYS 57 8.362 -2.460 7.587 433 HZ2 LYS 57 1HZ LYS 57 7.086 -2.543 8.688 434 HZ3 LYS 57 2HZ LYS 57 8.550 -1.900 9.175
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