NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505606 | 2yte | 10308 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.774 -13.953 11.422 2 HA2 GLY 1 1HA GLY 1 -9.504 -11.543 10.144 3 HA3 GLY 1 2HA GLY 1 -9.411 -11.795 11.881 4 H SER 2 H SER 2 -7.416 -11.133 9.025 5 HA SER 2 HA SER 2 -5.832 -9.277 10.622 6 HB2 SER 2 1HB SER 2 -4.782 -11.768 9.343 7 HB3 SER 2 2HB SER 2 -3.761 -10.330 9.358 8 HG SER 2 HG SER 2 -3.343 -10.763 11.358 9 H SER 3 H SER 3 -4.242 -8.077 9.157 10 HA SER 3 HA SER 3 -5.546 -7.575 6.561 11 HB2 SER 3 1HB SER 3 -4.113 -5.631 8.386 12 HB3 SER 3 2HB SER 3 -4.713 -5.237 6.775 13 HG SER 3 HG SER 3 -6.056 -4.948 8.903 14 H GLY 4 H GLY 4 -4.183 -9.122 5.534 15 HA2 GLY 4 1HA GLY 4 -1.940 -8.084 4.269 16 HA3 GLY 4 2HA GLY 4 -1.349 -8.996 5.650 17 H SER 5 H SER 5 -1.668 -9.249 2.489 18 HA SER 5 HA SER 5 -1.983 -10.926 0.966 19 HB2 SER 5 1HB SER 5 0.006 -11.636 2.533 20 HB3 SER 5 2HB SER 5 -1.119 -12.887 3.061 21 HG SER 5 HG SER 5 -0.062 -12.437 0.480 22 H SER 6 H SER 6 -4.358 -10.286 2.195 23 HA SER 6 HA SER 6 -5.704 -12.895 2.215 24 HB2 SER 6 1HB SER 6 -5.490 -12.196 4.557 25 HB3 SER 6 2HB SER 6 -6.247 -10.650 4.174 26 HG SER 6 HG SER 6 -7.988 -12.236 3.313 27 H GLY 7 H GLY 7 -6.851 -12.820 0.384 28 HA2 GLY 7 1HA GLY 7 -8.832 -12.190 -0.745 29 HA3 GLY 7 2HA GLY 7 -8.774 -10.635 0.073 30 H GLU 8 H GLU 8 -9.311 -10.601 -2.552 31 HA GLU 8 HA GLU 8 -6.768 -9.869 -3.844 32 HB2 GLU 8 1HB GLU 8 -8.260 -11.679 -4.875 33 HB3 GLU 8 2HB GLU 8 -9.369 -10.375 -5.275 34 HG2 GLU 8 1HG GLU 8 -7.601 -9.282 -6.573 35 HG3 GLU 8 2HG GLU 8 -6.513 -10.617 -6.194 36 H LYS 9 H LYS 9 -6.407 -7.806 -4.351 37 HA LYS 9 HA LYS 9 -8.690 -5.944 -4.339 38 HB2 LYS 9 1HB LYS 9 -5.965 -5.634 -3.097 39 HB3 LYS 9 2HB LYS 9 -6.964 -4.241 -3.489 40 HG2 LYS 9 1HG LYS 9 -7.495 -4.590 -1.285 41 HG3 LYS 9 2HG LYS 9 -8.776 -5.489 -2.101 42 HD2 LYS 9 1HD LYS 9 -7.404 -7.552 -1.843 43 HD3 LYS 9 2HD LYS 9 -6.252 -6.614 -0.889 44 HE2 LYS 9 1HE LYS 9 -9.131 -6.580 -0.120 45 HE3 LYS 9 2HE LYS 9 -8.164 -8.003 0.266 46 HZ1 LYS 9 3HZ LYS 9 -8.297 -6.163 1.996 47 HZ2 LYS 9 1HZ LYS 9 -7.260 -5.284 0.989 48 HZ3 LYS 9 2HZ LYS 9 -6.760 -6.767 1.630 49 HA PRO 10 HA PRO 10 -7.336 -4.730 -8.348 50 HB2 PRO 10 1HB PRO 10 -8.459 -2.261 -8.456 51 HB3 PRO 10 2HB PRO 10 -9.401 -3.751 -8.585 52 HG2 PRO 10 1HG PRO 10 -8.979 -1.977 -6.211 53 HG3 PRO 10 2HG PRO 10 -10.470 -2.752 -6.778 54 HD2 PRO 10 1HD PRO 10 -8.999 -3.745 -4.733 55 HD3 PRO 10 2HD PRO 10 -9.920 -4.784 -5.840 56 H TYR 11 H TYR 11 -6.154 -3.443 -5.518 57 HA TYR 11 HA TYR 11 -4.215 -1.786 -6.989 58 HB2 TYR 11 1HB TYR 11 -5.251 -1.211 -4.207 59 HB3 TYR 11 2HB TYR 11 -4.126 -0.226 -5.135 60 HD1 TYR 11 HD1 TYR 11 -4.971 0.831 -7.298 61 HD2 TYR 11 HD2 TYR 11 -7.564 -0.873 -4.386 62 HE1 TYR 11 HE1 TYR 11 -6.854 2.103 -8.239 63 HE2 TYR 11 HE2 TYR 11 -9.454 0.393 -5.320 64 HH TYR 11 HH TYR 11 -10.061 1.441 -7.521 65 H SER 12 H SER 12 -2.347 -2.841 -6.959 66 HA SER 12 HA SER 12 -1.471 -4.056 -4.422 67 HB2 SER 12 1HB SER 12 -0.259 -5.762 -5.794 68 HB3 SER 12 2HB SER 12 -2.014 -5.859 -5.940 69 HG SER 12 HG SER 12 -0.990 -5.979 -7.977 70 H CYS 13 H CYS 13 0.811 -4.070 -4.048 71 HA CYS 13 HA CYS 13 2.197 -1.893 -5.465 72 HB2 CYS 13 1HB CYS 13 1.757 -1.595 -3.010 73 HB3 CYS 13 2HB CYS 13 2.808 -2.975 -2.709 74 H ALA 14 H ALA 14 3.778 -2.473 -6.784 75 HA ALA 14 HA ALA 14 4.878 -5.156 -6.660 76 HB1 ALA 14 3HB ALA 14 4.557 -3.126 -8.685 77 HB2 ALA 14 1HB ALA 14 6.205 -3.756 -8.669 78 HB3 ALA 14 2HB ALA 14 4.841 -4.858 -8.862 79 H GLU 15 H GLU 15 5.522 -3.263 -4.524 80 HA GLU 15 HA GLU 15 8.448 -3.214 -4.860 81 HB2 GLU 15 1HB GLU 15 7.620 -0.931 -4.923 82 HB3 GLU 15 2HB GLU 15 6.718 -1.186 -3.436 83 HG2 GLU 15 1HG GLU 15 8.581 -1.081 -2.119 84 HG3 GLU 15 2HG GLU 15 9.657 -1.623 -3.406 85 H CYS 16 H CYS 16 5.884 -3.079 -2.385 86 HA CYS 16 HA CYS 16 7.612 -4.681 -0.623 87 HB2 CYS 16 1HB CYS 16 6.265 -3.830 1.236 88 HB3 CYS 16 2HB CYS 16 6.940 -2.503 0.296 89 H LYS 17 H LYS 17 4.983 -4.918 -2.651 90 HA LYS 17 HA LYS 17 3.528 -6.615 -3.092 91 HB2 LYS 17 1HB LYS 17 4.672 -8.171 -0.786 92 HB3 LYS 17 2HB LYS 17 3.945 -8.782 -2.267 93 HG2 LYS 17 1HG LYS 17 6.460 -7.177 -2.392 94 HG3 LYS 17 2HG LYS 17 6.514 -8.886 -1.953 95 HD2 LYS 17 1HD LYS 17 6.743 -9.073 -4.217 96 HD3 LYS 17 2HD LYS 17 4.982 -9.110 -4.102 97 HE2 LYS 17 1HE LYS 17 5.477 -7.579 -5.825 98 HE3 LYS 17 2HE LYS 17 5.050 -6.597 -4.425 99 HZ1 LYS 17 3HZ LYS 17 7.207 -6.152 -5.876 100 HZ2 LYS 17 1HZ LYS 17 7.871 -7.241 -4.764 101 HZ3 LYS 17 2HZ LYS 17 7.145 -5.814 -4.220 102 H GLU 18 H GLU 18 2.512 -4.572 -1.697 103 HA GLU 18 HA GLU 18 0.886 -5.830 0.413 104 HB2 GLU 18 1HB GLU 18 2.407 -3.830 0.980 105 HB3 GLU 18 2HB GLU 18 1.247 -2.862 0.081 106 HG2 GLU 18 1HG GLU 18 -0.528 -3.797 1.612 107 HG3 GLU 18 2HG GLU 18 0.788 -4.437 2.595 108 H THR 19 H THR 19 -1.335 -5.541 0.404 109 HA THR 19 HA THR 19 -2.443 -4.642 -2.166 110 HB THR 19 HB THR 19 -4.447 -5.978 -1.562 111 HG1 THR 19 HG1 THR 19 -2.828 -6.749 0.656 112 HG21 THR 19 3HG2 THR 19 -3.532 -7.745 -2.587 113 HG22 THR 19 1HG2 THR 19 -2.424 -8.044 -1.249 114 HG23 THR 19 2HG2 THR 19 -2.001 -6.874 -2.499 115 H PHE 20 H PHE 20 -4.318 -3.349 -2.221 116 HA PHE 20 HA PHE 20 -5.162 -2.122 0.298 117 HB2 PHE 20 1HB PHE 20 -4.451 -0.466 -2.127 118 HB3 PHE 20 2HB PHE 20 -4.913 0.119 -0.532 119 HD1 PHE 20 HD2 PHE 20 -2.282 -1.793 -2.320 120 HD2 PHE 20 HD1 PHE 20 -3.295 0.564 1.076 121 HE1 PHE 20 HE2 PHE 20 0.089 -1.723 -1.666 122 HE2 PHE 20 HE1 PHE 20 -0.926 0.639 1.735 123 HZ PHE 20 HZ PHE 20 0.769 -0.507 0.365 124 H SER 21 H SER 21 -7.253 -2.645 0.341 125 HA SER 21 HA SER 21 -8.886 -3.253 -1.812 126 HB2 SER 21 1HB SER 21 -9.503 -3.823 0.475 127 HB3 SER 21 2HB SER 21 -9.670 -2.115 0.883 128 HG SER 21 HG SER 21 -11.153 -3.063 -1.274 129 H ASP 22 H ASP 22 -8.058 -0.152 -0.444 130 HA ASP 22 HA ASP 22 -9.746 1.150 -2.480 131 HB2 ASP 22 1HB ASP 22 -8.901 2.417 0.126 132 HB3 ASP 22 2HB ASP 22 -10.119 2.989 -1.011 133 H ASN 23 H ASN 23 -8.859 2.791 -3.691 134 HA ASN 23 HA ASN 23 -6.105 2.710 -4.194 135 HB2 ASN 23 1HB ASN 23 -7.794 3.457 -5.841 136 HB3 ASN 23 2HB ASN 23 -8.054 4.918 -4.892 137 HD21 ASN 23 1HD2 ASN 23 -7.277 6.503 -6.104 138 HD22 ASN 23 2HD2 ASN 23 -5.690 6.559 -6.786 139 H ASN 24 H ASN 24 -8.024 5.278 -2.629 140 HA ASN 24 HA ASN 24 -6.238 7.152 -1.998 141 HB2 ASN 24 1HB ASN 24 -8.175 5.928 -0.020 142 HB3 ASN 24 2HB ASN 24 -7.406 7.503 0.158 143 HD21 ASN 24 1HD2 ASN 24 -10.167 6.026 -0.721 144 HD22 ASN 24 2HD2 ASN 24 -10.820 7.215 -1.791 145 H ARG 25 H ARG 25 -6.655 4.253 0.042 146 HA ARG 25 HA ARG 25 -4.574 4.703 1.805 147 HB2 ARG 25 1HB ARG 25 -5.774 2.150 0.751 148 HB3 ARG 25 2HB ARG 25 -4.504 2.145 1.968 149 HG2 ARG 25 1HG ARG 25 -5.951 3.536 3.418 150 HG3 ARG 25 2HG ARG 25 -7.234 3.386 2.216 151 HD2 ARG 25 1HD ARG 25 -6.833 0.837 2.476 152 HD3 ARG 25 2HD ARG 25 -6.041 1.288 3.985 153 HE ARG 25 HE ARG 25 -8.869 1.377 3.405 154 HH11 ARG 25 1HH1 ARG 25 -6.292 2.477 5.471 155 HH12 ARG 25 2HH1 ARG 25 -7.340 2.848 6.800 156 HH21 ARG 25 1HH2 ARG 25 -10.259 1.861 5.148 157 HH22 ARG 25 2HH2 ARG 25 -9.596 2.496 6.615 158 H LEU 26 H LEU 26 -4.496 3.072 -1.341 159 HA LEU 26 HA LEU 26 -1.783 2.310 -1.247 160 HB2 LEU 26 1HB LEU 26 -3.337 1.307 -2.806 161 HB3 LEU 26 2HB LEU 26 -3.585 2.861 -3.600 162 HG LEU 26 HG LEU 26 -1.046 2.727 -4.112 163 HD11 LEU 26 1HD1 LEU 26 -0.293 0.374 -4.414 164 HD12 LEU 26 2HD1 LEU 26 -1.696 -0.145 -3.480 165 HD13 LEU 26 3HD1 LEU 26 -0.462 0.866 -2.729 166 HD21 LEU 26 3HD2 LEU 26 -3.394 1.750 -5.442 167 HD22 LEU 26 1HD2 LEU 26 -1.995 0.770 -5.880 168 HD23 LEU 26 2HD2 LEU 26 -1.959 2.516 -6.124 169 H VAL 27 H VAL 27 -3.382 5.131 -2.703 170 HA VAL 27 HA VAL 27 -1.242 6.372 -3.892 171 HB VAL 27 HB VAL 27 -3.471 7.721 -2.361 172 HG11 VAL 27 1HG1 VAL 27 -1.240 8.955 -3.189 173 HG12 VAL 27 2HG1 VAL 27 -2.186 9.032 -4.677 174 HG13 VAL 27 3HG1 VAL 27 -2.826 9.727 -3.187 175 HG21 VAL 27 3HG2 VAL 27 -4.747 6.795 -3.949 176 HG22 VAL 27 1HG2 VAL 27 -4.006 7.964 -5.042 177 HG23 VAL 27 2HG2 VAL 27 -3.353 6.329 -4.924 178 H GLN 28 H GLN 28 -2.329 6.853 -0.530 179 HA GLN 28 HA GLN 28 -0.184 8.535 0.201 180 HB2 GLN 28 1HB GLN 28 -2.151 6.891 1.770 181 HB3 GLN 28 2HB GLN 28 -0.867 7.784 2.574 182 HG2 GLN 28 1HG GLN 28 -1.768 9.805 1.233 183 HG3 GLN 28 2HG GLN 28 -3.216 8.816 1.048 184 HE21 GLN 28 1HE2 GLN 28 -1.214 10.590 3.250 185 HE22 GLN 28 2HE2 GLN 28 -2.310 10.576 4.585 186 H HIS 29 H HIS 29 -0.601 5.055 0.222 187 HA HIS 29 HA HIS 29 1.677 4.451 1.804 188 HB2 HIS 29 1HB HIS 29 0.155 2.694 1.681 189 HB3 HIS 29 2HB HIS 29 -0.078 2.885 -0.054 190 HD1 HIS 29 HD1 HIS 29 2.155 1.274 2.464 191 HD2 HIS 29 HD2 HIS 29 1.808 1.571 -1.665 192 HE1 HIS 29 HE1 HIS 29 3.711 -0.467 1.532 193 H GLN 30 H GLN 30 1.170 5.013 -1.615 194 HA GLN 30 HA GLN 30 3.576 3.972 -2.601 195 HB2 GLN 30 1HB GLN 30 1.780 6.182 -3.585 196 HB3 GLN 30 2HB GLN 30 3.212 5.671 -4.469 197 HG2 GLN 30 1HG GLN 30 2.167 3.309 -4.304 198 HG3 GLN 30 2HG GLN 30 0.676 4.183 -3.960 199 HE21 GLN 30 1HE2 GLN 30 1.361 2.512 -6.241 200 HE22 GLN 30 2HE2 GLN 30 1.178 3.508 -7.641 201 H LYS 31 H LYS 31 2.768 7.315 -1.673 202 HA LYS 31 HA LYS 31 5.376 8.331 -2.074 203 HB2 LYS 31 1HB LYS 31 4.602 10.326 -1.024 204 HB3 LYS 31 2HB LYS 31 3.254 9.681 -1.951 205 HG2 LYS 31 1HG LYS 31 2.209 8.839 0.029 206 HG3 LYS 31 2HG LYS 31 3.621 9.251 1.005 207 HD2 LYS 31 1HD LYS 31 2.243 11.034 1.460 208 HD3 LYS 31 2HD LYS 31 3.160 11.667 0.091 209 HE2 LYS 31 1HE LYS 31 1.228 10.643 -1.323 210 HE3 LYS 31 2HE LYS 31 0.335 10.690 0.197 211 HZ1 LYS 31 3HZ LYS 31 -0.139 12.705 -0.854 212 HZ2 LYS 31 1HZ LYS 31 1.464 12.954 -1.335 213 HZ3 LYS 31 2HZ LYS 31 1.036 13.111 0.294 214 H MET 32 H MET 32 3.722 6.993 0.738 215 HA MET 32 HA MET 32 5.413 7.670 2.782 216 HB2 MET 32 1HB MET 32 3.755 5.249 2.225 217 HB3 MET 32 2HB MET 32 4.854 5.219 3.598 218 HG2 MET 32 1HG MET 32 3.771 7.133 4.569 219 HG3 MET 32 2HG MET 32 2.744 7.315 3.149 220 HE1 MET 32 3HE MET 32 0.546 6.314 6.192 221 HE2 MET 32 1HE MET 32 1.420 7.628 5.404 222 HE3 MET 32 2HE MET 32 0.072 6.847 4.578 223 H HIS 33 H HIS 33 5.992 5.448 0.171 224 HA HIS 33 HA HIS 33 8.167 4.038 1.296 225 HB2 HIS 33 1HB HIS 33 7.164 4.499 -1.487 226 HB3 HIS 33 2HB HIS 33 8.747 3.764 -1.254 227 HD1 HIS 33 HD1 HIS 33 8.107 1.933 1.139 228 HD2 HIS 33 HD2 HIS 33 5.690 2.329 -2.217 229 HE1 HIS 33 HE1 HIS 33 6.746 -0.180 1.037 230 H THR 34 H THR 34 7.926 7.073 -0.457 231 HA THR 34 HA THR 34 10.839 7.417 -0.253 232 HB THR 34 HB THR 34 10.474 9.353 -1.827 233 HG1 THR 34 HG1 THR 34 8.504 9.677 -2.679 234 HG21 THR 34 3HG2 THR 34 11.003 7.938 -3.472 235 HG22 THR 34 1HG2 THR 34 9.409 7.187 -3.428 236 HG23 THR 34 2HG2 THR 34 10.679 6.625 -2.341 237 H VAL 35 H VAL 35 10.741 7.926 2.006 238 HA VAL 35 HA VAL 35 9.523 10.532 2.628 239 HB VAL 35 HB VAL 35 9.861 9.875 5.021 240 HG11 VAL 35 1HG1 VAL 35 8.117 7.863 4.742 241 HG12 VAL 35 2HG1 VAL 35 7.677 9.556 4.509 242 HG13 VAL 35 3HG1 VAL 35 8.039 8.537 3.115 243 HG21 VAL 35 3HG2 VAL 35 10.072 7.029 4.390 244 HG22 VAL 35 1HG2 VAL 35 11.523 7.955 4.003 245 HG23 VAL 35 2HG2 VAL 35 10.874 7.975 5.643 246 H LYS 36 H LYS 36 10.755 12.233 3.173 247 HA LYS 36 HA LYS 36 13.601 11.784 3.750 248 HB2 LYS 36 1HB LYS 36 12.391 13.519 1.634 249 HB3 LYS 36 2HB LYS 36 13.884 14.033 2.409 250 HG2 LYS 36 1HG LYS 36 15.096 12.266 1.545 251 HG3 LYS 36 2HG LYS 36 13.658 11.280 1.273 252 HD2 LYS 36 1HD LYS 36 13.969 13.852 -0.211 253 HD3 LYS 36 2HD LYS 36 14.884 12.436 -0.736 254 HE2 LYS 36 1HE LYS 36 12.885 12.408 -1.986 255 HE3 LYS 36 2HE LYS 36 12.681 11.185 -0.733 256 HZ1 LYS 36 3HZ LYS 36 11.192 12.497 0.422 257 HZ2 LYS 36 1HZ LYS 36 10.780 12.832 -1.185 258 HZ3 LYS 36 2HZ LYS 36 11.710 13.935 -0.303 259 H SER 37 H SER 37 11.599 12.225 5.648 260 HA SER 37 HA SER 37 12.207 14.972 6.531 261 HB2 SER 37 1HB SER 37 9.835 14.767 6.060 262 HB3 SER 37 2HB SER 37 9.728 13.314 7.053 263 HG SER 37 HG SER 37 9.045 14.989 8.317 264 H GLY 38 H GLY 38 11.228 11.794 7.837 265 HA2 GLY 38 1HA GLY 38 13.220 12.194 9.980 266 HA3 GLY 38 2HA GLY 38 11.605 11.601 10.336 267 HA PRO 39 HA PRO 39 14.721 8.198 8.940 268 HB2 PRO 39 1HB PRO 39 15.886 7.535 11.301 269 HB3 PRO 39 2HB PRO 39 16.573 8.728 10.192 270 HG2 PRO 39 1HG PRO 39 14.941 9.159 12.664 271 HG3 PRO 39 2HG PRO 39 16.391 10.021 12.116 272 HD2 PRO 39 1HD PRO 39 13.894 11.019 11.796 273 HD3 PRO 39 2HD PRO 39 15.204 11.336 10.641 274 H SER 40 H SER 40 14.526 5.933 9.509 275 HA SER 40 HA SER 40 11.964 5.097 10.078 276 HB2 SER 40 1HB SER 40 12.943 2.843 10.440 277 HB3 SER 40 2HB SER 40 13.588 3.635 9.002 278 HG SER 40 HG SER 40 15.246 4.373 10.756 279 H SER 41 H SER 41 11.572 3.389 11.951 280 HA SER 41 HA SER 41 12.092 4.840 14.455 281 HB2 SER 41 1HB SER 41 9.834 3.056 13.565 282 HB3 SER 41 2HB SER 41 10.107 3.406 15.272 283 HG SER 41 HG SER 41 10.180 5.724 14.276 284 H GLY 42 H GLY 42 11.854 1.544 13.132 285 HA2 GLY 42 1HA GLY 42 13.038 -0.357 13.663 286 HA3 GLY 42 2HA GLY 42 14.129 0.655 14.598 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.416 -10.901 2.974 2 HA2 GLY 1 1HA GLY 1 2.896 -12.364 0.894 3 HA3 GLY 1 2HA GLY 1 3.648 -13.616 1.873 4 H SER 2 H SER 2 1.123 -14.025 1.006 5 HA SER 2 HA SER 2 -0.938 -13.095 2.670 6 HB2 SER 2 1HB SER 2 -0.734 -15.686 1.117 7 HB3 SER 2 2HB SER 2 -2.217 -15.056 1.834 8 HG SER 2 HG SER 2 -0.665 -13.588 -0.025 9 H SER 3 H SER 3 0.716 -16.257 2.738 10 HA SER 3 HA SER 3 1.058 -17.760 4.411 11 HB2 SER 3 1HB SER 3 0.928 -15.241 6.082 12 HB3 SER 3 2HB SER 3 1.428 -16.813 6.704 13 HG SER 3 HG SER 3 3.133 -16.788 5.190 14 H GLY 4 H GLY 4 -1.564 -17.558 3.507 15 HA2 GLY 4 1HA GLY 4 -3.114 -19.101 4.936 16 HA3 GLY 4 2HA GLY 4 -3.234 -17.648 5.917 17 H SER 5 H SER 5 -5.253 -16.938 5.610 18 HA SER 5 HA SER 5 -6.368 -16.915 2.905 19 HB2 SER 5 1HB SER 5 -7.721 -17.846 4.784 20 HB3 SER 5 2HB SER 5 -7.728 -16.246 5.526 21 HG SER 5 HG SER 5 -9.401 -17.167 3.734 22 H SER 6 H SER 6 -6.583 -15.116 1.736 23 HA SER 6 HA SER 6 -6.659 -12.509 3.013 24 HB2 SER 6 1HB SER 6 -4.462 -13.292 1.083 25 HB3 SER 6 2HB SER 6 -4.809 -11.635 1.577 26 HG SER 6 HG SER 6 -4.173 -13.736 3.374 27 H GLY 7 H GLY 7 -7.873 -11.081 1.896 28 HA2 GLY 7 1HA GLY 7 -9.247 -12.041 -0.456 29 HA3 GLY 7 2HA GLY 7 -9.549 -10.529 0.388 30 H GLU 8 H GLU 8 -8.700 -11.678 -2.494 31 HA GLU 8 HA GLU 8 -6.422 -10.153 -3.201 32 HB2 GLU 8 1HB GLU 8 -7.113 -12.065 -4.531 33 HB3 GLU 8 2HB GLU 8 -8.641 -11.283 -4.913 34 HG2 GLU 8 1HG GLU 8 -6.008 -10.071 -5.675 35 HG3 GLU 8 2HG GLU 8 -6.823 -11.259 -6.691 36 H LYS 9 H LYS 9 -6.198 -8.083 -3.779 37 HA LYS 9 HA LYS 9 -8.648 -6.481 -4.125 38 HB2 LYS 9 1HB LYS 9 -6.118 -5.956 -2.638 39 HB3 LYS 9 2HB LYS 9 -6.919 -4.592 -3.407 40 HG2 LYS 9 1HG LYS 9 -7.763 -4.598 -1.242 41 HG3 LYS 9 2HG LYS 9 -9.027 -5.385 -2.190 42 HD2 LYS 9 1HD LYS 9 -8.488 -7.504 -1.367 43 HD3 LYS 9 2HD LYS 9 -6.891 -6.986 -0.820 44 HE2 LYS 9 1HE LYS 9 -8.274 -7.249 1.108 45 HE3 LYS 9 2HE LYS 9 -8.026 -5.522 0.854 46 HZ1 LYS 9 3HZ LYS 9 -10.189 -5.191 0.404 47 HZ2 LYS 9 1HZ LYS 9 -10.411 -6.628 1.268 48 HZ3 LYS 9 2HZ LYS 9 -10.372 -6.655 -0.423 49 HA PRO 10 HA PRO 10 -7.242 -5.343 -8.131 50 HB2 PRO 10 1HB PRO 10 -8.411 -2.905 -8.372 51 HB3 PRO 10 2HB PRO 10 -9.321 -4.418 -8.448 52 HG2 PRO 10 1HG PRO 10 -8.975 -2.528 -6.152 53 HG3 PRO 10 2HG PRO 10 -10.441 -3.358 -6.707 54 HD2 PRO 10 1HD PRO 10 -8.987 -4.226 -4.594 55 HD3 PRO 10 2HD PRO 10 -9.869 -5.333 -5.666 56 H TYR 11 H TYR 11 -6.281 -3.717 -5.325 57 HA TYR 11 HA TYR 11 -4.375 -2.058 -6.839 58 HB2 TYR 11 1HB TYR 11 -5.339 -1.660 -4.000 59 HB3 TYR 11 2HB TYR 11 -4.252 -0.598 -4.888 60 HD1 TYR 11 HD1 TYR 11 -5.127 0.676 -6.860 61 HD2 TYR 11 HD2 TYR 11 -7.690 -1.489 -4.243 62 HE1 TYR 11 HE1 TYR 11 -7.054 1.951 -7.702 63 HE2 TYR 11 HE2 TYR 11 -9.624 -0.220 -5.079 64 HH TYR 11 HH TYR 11 -9.644 2.452 -6.387 65 H SER 12 H SER 12 -2.290 -2.554 -6.699 66 HA SER 12 HA SER 12 -1.317 -4.035 -4.362 67 HB2 SER 12 1HB SER 12 -1.784 -5.677 -6.161 68 HB3 SER 12 2HB SER 12 -0.684 -4.799 -7.224 69 HG SER 12 HG SER 12 0.599 -6.304 -6.363 70 H CYS 13 H CYS 13 0.840 -3.683 -3.837 71 HA CYS 13 HA CYS 13 2.018 -1.320 -5.108 72 HB2 CYS 13 1HB CYS 13 1.636 -1.280 -2.653 73 HB3 CYS 13 2HB CYS 13 2.742 -2.640 -2.484 74 H ALA 14 H ALA 14 3.735 -1.488 -6.385 75 HA ALA 14 HA ALA 14 5.010 -4.062 -6.746 76 HB1 ALA 14 3HB ALA 14 6.187 -2.960 -8.606 77 HB2 ALA 14 1HB ALA 14 4.437 -2.768 -8.710 78 HB3 ALA 14 2HB ALA 14 5.440 -1.429 -8.152 79 H GLU 15 H GLU 15 5.416 -2.483 -4.248 80 HA GLU 15 HA GLU 15 8.355 -2.313 -4.372 81 HB2 GLU 15 1HB GLU 15 6.546 -0.678 -2.586 82 HB3 GLU 15 2HB GLU 15 8.296 -0.557 -2.694 83 HG2 GLU 15 1HG GLU 15 6.430 0.007 -4.984 84 HG3 GLU 15 2HG GLU 15 7.050 1.237 -3.885 85 H CYS 16 H CYS 16 5.531 -3.075 -2.391 86 HA CYS 16 HA CYS 16 7.235 -4.870 -0.796 87 HB2 CYS 16 1HB CYS 16 5.817 -4.360 1.173 88 HB3 CYS 16 2HB CYS 16 6.696 -2.951 0.589 89 H LYS 17 H LYS 17 4.719 -4.623 -2.912 90 HA LYS 17 HA LYS 17 3.129 -6.069 -3.656 91 HB2 LYS 17 1HB LYS 17 4.613 -8.001 -1.866 92 HB3 LYS 17 2HB LYS 17 3.355 -8.466 -3.004 93 HG2 LYS 17 1HG LYS 17 5.356 -8.916 -4.114 94 HG3 LYS 17 2HG LYS 17 4.808 -7.383 -4.796 95 HD2 LYS 17 1HD LYS 17 6.358 -6.154 -3.447 96 HD3 LYS 17 2HD LYS 17 6.792 -7.602 -2.536 97 HE2 LYS 17 1HE LYS 17 7.174 -7.501 -5.503 98 HE3 LYS 17 2HE LYS 17 8.360 -6.764 -4.426 99 HZ1 LYS 17 3HZ LYS 17 9.190 -8.869 -4.631 100 HZ2 LYS 17 1HZ LYS 17 7.669 -9.595 -4.768 101 HZ3 LYS 17 2HZ LYS 17 8.223 -9.074 -3.258 102 H GLU 18 H GLU 18 2.341 -4.375 -1.647 103 HA GLU 18 HA GLU 18 0.768 -6.007 0.210 104 HB2 GLU 18 1HB GLU 18 2.179 -4.042 1.003 105 HB3 GLU 18 2HB GLU 18 1.009 -3.001 0.204 106 HG2 GLU 18 1HG GLU 18 -0.736 -3.717 1.646 107 HG3 GLU 18 2HG GLU 18 0.263 -5.006 2.315 108 H THR 19 H THR 19 -1.457 -5.904 0.315 109 HA THR 19 HA THR 19 -2.759 -4.890 -2.101 110 HB THR 19 HB THR 19 -4.748 -6.212 -1.191 111 HG1 THR 19 HG1 THR 19 -3.743 -7.985 0.251 112 HG21 THR 19 3HG2 THR 19 -2.648 -6.947 -2.781 113 HG22 THR 19 1HG2 THR 19 -4.100 -7.910 -2.514 114 HG23 THR 19 2HG2 THR 19 -2.647 -8.221 -1.562 115 H PHE 20 H PHE 20 -4.538 -3.521 -2.055 116 HA PHE 20 HA PHE 20 -5.251 -2.341 0.535 117 HB2 PHE 20 1HB PHE 20 -4.558 -0.767 -1.955 118 HB3 PHE 20 2HB PHE 20 -5.188 -0.082 -0.461 119 HD1 PHE 20 HD2 PHE 20 -2.280 -1.590 -2.090 120 HD2 PHE 20 HD1 PHE 20 -3.793 0.153 1.487 121 HE1 PHE 20 HE2 PHE 20 0.015 -1.357 -1.236 122 HE2 PHE 20 HE1 PHE 20 -1.500 0.389 2.346 123 HZ PHE 20 HZ PHE 20 0.408 -0.368 0.985 124 H SER 21 H SER 21 -7.378 -2.136 0.813 125 HA SER 21 HA SER 21 -9.247 -3.180 -0.957 126 HB2 SER 21 1HB SER 21 -10.937 -1.915 0.461 127 HB3 SER 21 2HB SER 21 -9.850 -2.988 1.341 128 HG SER 21 HG SER 21 -9.629 -0.171 1.079 129 H ASP 22 H ASP 22 -8.157 0.145 -0.523 130 HA ASP 22 HA ASP 22 -9.555 0.847 -3.016 131 HB2 ASP 22 1HB ASP 22 -9.429 2.385 -0.433 132 HB3 ASP 22 2HB ASP 22 -9.719 3.200 -1.967 133 H ASN 23 H ASN 23 -8.643 3.151 -3.728 134 HA ASN 23 HA ASN 23 -5.831 2.705 -4.195 135 HB2 ASN 23 1HB ASN 23 -6.812 3.485 -6.130 136 HB3 ASN 23 2HB ASN 23 -7.910 4.559 -5.268 137 HD21 ASN 23 1HD2 ASN 23 -4.733 4.166 -6.594 138 HD22 ASN 23 2HD2 ASN 23 -4.256 5.822 -6.479 139 H ASN 24 H ASN 24 -7.783 5.339 -2.799 140 HA ASN 24 HA ASN 24 -5.981 7.179 -2.077 141 HB2 ASN 24 1HB ASN 24 -8.503 6.878 -1.397 142 HB3 ASN 24 2HB ASN 24 -7.818 6.237 0.093 143 HD21 ASN 24 1HD2 ASN 24 -7.385 8.989 -2.106 144 HD22 ASN 24 2HD2 ASN 24 -7.187 10.170 -0.861 145 H ARG 25 H ARG 25 -6.474 4.116 -0.360 146 HA ARG 25 HA ARG 25 -4.571 4.589 1.672 147 HB2 ARG 25 1HB ARG 25 -5.662 2.007 0.543 148 HB3 ARG 25 2HB ARG 25 -4.646 2.103 1.976 149 HG2 ARG 25 1HG ARG 25 -6.304 2.986 3.266 150 HG3 ARG 25 2HG ARG 25 -7.106 3.761 1.899 151 HD2 ARG 25 1HD ARG 25 -8.123 1.767 1.218 152 HD3 ARG 25 2HD ARG 25 -7.019 0.776 2.171 153 HE ARG 25 HE ARG 25 -9.413 2.103 3.097 154 HH11 ARG 25 1HH1 ARG 25 -6.404 0.588 3.974 155 HH12 ARG 25 2HH1 ARG 25 -6.907 0.226 5.592 156 HH21 ARG 25 1HH2 ARG 25 -10.087 1.632 5.225 157 HH22 ARG 25 2HH2 ARG 25 -9.003 0.819 6.302 158 H LEU 26 H LEU 26 -4.353 3.008 -1.486 159 HA LEU 26 HA LEU 26 -1.653 2.171 -1.187 160 HB2 LEU 26 1HB LEU 26 -3.008 1.037 -2.770 161 HB3 LEU 26 2HB LEU 26 -3.434 2.542 -3.581 162 HG LEU 26 HG LEU 26 -0.901 2.671 -4.131 163 HD11 LEU 26 1HD1 LEU 26 -1.045 0.169 -2.759 164 HD12 LEU 26 2HD1 LEU 26 0.363 0.996 -3.422 165 HD13 LEU 26 3HD1 LEU 26 -0.569 -0.106 -4.435 166 HD21 LEU 26 3HD2 LEU 26 -3.012 2.053 -5.586 167 HD22 LEU 26 1HD2 LEU 26 -2.249 0.463 -5.599 168 HD23 LEU 26 2HD2 LEU 26 -1.375 1.865 -6.217 169 H VAL 27 H VAL 27 -3.095 4.791 -3.136 170 HA VAL 27 HA VAL 27 -0.814 5.972 -4.094 171 HB VAL 27 HB VAL 27 -3.038 6.723 -4.748 172 HG11 VAL 27 1HG1 VAL 27 -4.119 6.581 -2.558 173 HG12 VAL 27 2HG1 VAL 27 -3.189 7.976 -2.007 174 HG13 VAL 27 3HG1 VAL 27 -4.374 8.161 -3.300 175 HG21 VAL 27 3HG2 VAL 27 -2.603 9.266 -4.404 176 HG22 VAL 27 1HG2 VAL 27 -1.090 8.721 -3.680 177 HG23 VAL 27 2HG2 VAL 27 -1.467 8.307 -5.353 178 H GLN 28 H GLN 28 -2.304 6.423 -0.917 179 HA GLN 28 HA GLN 28 -0.439 8.421 -0.077 180 HB2 GLN 28 1HB GLN 28 -2.608 6.840 1.232 181 HB3 GLN 28 2HB GLN 28 -1.426 7.651 2.251 182 HG2 GLN 28 1HG GLN 28 -1.971 9.769 1.019 183 HG3 GLN 28 2HG GLN 28 -3.305 8.897 0.266 184 HE21 GLN 28 1HE2 GLN 28 -2.922 11.142 2.367 185 HE22 GLN 28 2HE2 GLN 28 -4.058 10.715 3.595 186 H HIS 29 H HIS 29 -0.420 4.994 -0.210 187 HA HIS 29 HA HIS 29 1.650 4.707 1.808 188 HB2 HIS 29 1HB HIS 29 0.225 2.872 1.869 189 HB3 HIS 29 2HB HIS 29 0.062 2.811 0.117 190 HD1 HIS 29 HD1 HIS 29 1.603 1.050 2.790 191 HD2 HIS 29 HD2 HIS 29 2.721 2.007 -1.095 192 HE1 HIS 29 HE1 HIS 29 3.437 -0.566 2.201 193 H GLN 30 H GLN 30 1.338 4.906 -1.650 194 HA GLN 30 HA GLN 30 3.798 3.787 -2.406 195 HB2 GLN 30 1HB GLN 30 2.068 5.892 -3.700 196 HB3 GLN 30 2HB GLN 30 3.526 5.262 -4.455 197 HG2 GLN 30 1HG GLN 30 2.361 2.949 -3.992 198 HG3 GLN 30 2HG GLN 30 0.907 3.945 -3.988 199 HE21 GLN 30 1HE2 GLN 30 0.502 2.461 -5.860 200 HE22 GLN 30 2HE2 GLN 30 1.038 2.991 -7.414 201 H LYS 31 H LYS 31 2.911 7.093 -1.513 202 HA LYS 31 HA LYS 31 5.479 8.205 -2.028 203 HB2 LYS 31 1HB LYS 31 4.654 10.176 -0.872 204 HB3 LYS 31 2HB LYS 31 3.419 9.560 -1.962 205 HG2 LYS 31 1HG LYS 31 2.070 8.831 -0.238 206 HG3 LYS 31 2HG LYS 31 3.408 8.741 0.909 207 HD2 LYS 31 1HD LYS 31 2.250 10.629 1.609 208 HD3 LYS 31 2HD LYS 31 3.533 11.307 0.604 209 HE2 LYS 31 1HE LYS 31 1.701 12.445 -0.191 210 HE3 LYS 31 2HE LYS 31 1.754 11.075 -1.299 211 HZ1 LYS 31 3HZ LYS 31 -0.199 11.728 0.745 212 HZ2 LYS 31 1HZ LYS 31 0.216 10.091 0.635 213 HZ3 LYS 31 2HZ LYS 31 -0.395 10.901 -0.718 214 H MET 32 H MET 32 4.036 6.568 0.678 215 HA MET 32 HA MET 32 5.727 7.438 2.734 216 HB2 MET 32 1HB MET 32 4.241 4.846 2.318 217 HB3 MET 32 2HB MET 32 5.151 5.192 3.782 218 HG2 MET 32 1HG MET 32 3.011 7.039 2.793 219 HG3 MET 32 2HG MET 32 2.639 5.635 3.790 220 HE1 MET 32 3HE MET 32 2.805 6.885 7.140 221 HE2 MET 32 1HE MET 32 2.199 5.786 5.901 222 HE3 MET 32 2HE MET 32 3.797 5.529 6.601 223 H HIS 33 H HIS 33 6.210 5.134 0.167 224 HA HIS 33 HA HIS 33 8.438 3.777 1.262 225 HB2 HIS 33 1HB HIS 33 7.219 4.049 -1.439 226 HB3 HIS 33 2HB HIS 33 8.883 3.477 -1.356 227 HD1 HIS 33 HD1 HIS 33 8.975 1.501 0.791 228 HD2 HIS 33 HD2 HIS 33 5.598 1.908 -1.594 229 HE1 HIS 33 HE1 HIS 33 7.749 -0.686 0.984 230 H THR 34 H THR 34 8.064 6.865 -0.225 231 HA THR 34 HA THR 34 10.361 7.529 -1.423 232 HB THR 34 HB THR 34 8.508 9.119 -0.786 233 HG1 THR 34 HG1 THR 34 10.220 10.091 -1.742 234 HG21 THR 34 3HG2 THR 34 10.108 9.342 1.767 235 HG22 THR 34 1HG2 THR 34 8.488 8.661 1.624 236 HG23 THR 34 2HG2 THR 34 8.756 10.374 1.300 237 H VAL 35 H VAL 35 12.456 8.159 -0.882 238 HA VAL 35 HA VAL 35 13.375 7.212 1.752 239 HB VAL 35 HB VAL 35 14.930 7.428 -0.830 240 HG11 VAL 35 1HG1 VAL 35 15.720 6.780 1.974 241 HG12 VAL 35 2HG1 VAL 35 16.556 5.997 0.632 242 HG13 VAL 35 3HG1 VAL 35 16.556 7.756 0.767 243 HG21 VAL 35 3HG2 VAL 35 14.454 5.280 -1.250 244 HG22 VAL 35 1HG2 VAL 35 14.658 4.813 0.438 245 HG23 VAL 35 2HG2 VAL 35 13.126 5.492 -0.110 246 H LYS 36 H LYS 36 14.474 8.549 3.071 247 HA LYS 36 HA LYS 36 15.283 11.177 2.021 248 HB2 LYS 36 1HB LYS 36 13.166 11.386 3.274 249 HB3 LYS 36 2HB LYS 36 13.937 10.664 4.681 250 HG2 LYS 36 1HG LYS 36 15.542 12.562 4.698 251 HG3 LYS 36 2HG LYS 36 14.605 13.304 3.399 252 HD2 LYS 36 1HD LYS 36 13.216 12.448 5.899 253 HD3 LYS 36 2HD LYS 36 14.155 13.943 5.902 254 HE2 LYS 36 1HE LYS 36 12.116 14.759 5.270 255 HE3 LYS 36 2HE LYS 36 12.798 14.393 3.686 256 HZ1 LYS 36 3HZ LYS 36 10.811 13.356 3.478 257 HZ2 LYS 36 1HZ LYS 36 10.644 13.061 5.136 258 HZ3 LYS 36 2HZ LYS 36 11.657 12.082 4.201 259 H SER 37 H SER 37 17.393 10.135 1.896 260 HA SER 37 HA SER 37 18.691 9.308 4.327 261 HB2 SER 37 1HB SER 37 20.660 8.978 2.935 262 HB3 SER 37 2HB SER 37 19.246 8.310 2.119 263 HG SER 37 HG SER 37 20.024 10.958 1.604 264 H GLY 38 H GLY 38 20.036 10.452 5.613 265 HA2 GLY 38 1HA GLY 38 21.725 12.403 5.422 266 HA3 GLY 38 2HA GLY 38 20.282 13.322 5.019 267 HA PRO 39 HA PRO 39 21.064 13.036 9.705 268 HB2 PRO 39 1HB PRO 39 21.978 15.562 10.103 269 HB3 PRO 39 2HB PRO 39 23.047 14.197 9.759 270 HG2 PRO 39 1HG PRO 39 22.013 16.307 7.904 271 HG3 PRO 39 2HG PRO 39 23.647 15.627 8.027 272 HD2 PRO 39 1HD PRO 39 21.885 14.851 6.123 273 HD3 PRO 39 2HD PRO 39 23.092 13.747 6.814 274 H SER 40 H SER 40 19.534 13.727 11.131 275 HA SER 40 HA SER 40 17.728 15.883 10.270 276 HB2 SER 40 1HB SER 40 15.809 14.581 11.115 277 HB3 SER 40 2HB SER 40 16.633 13.740 9.802 278 HG SER 40 HG SER 40 17.313 13.231 12.489 279 H SER 41 H SER 41 19.010 17.181 11.731 280 HA SER 41 HA SER 41 17.930 17.121 14.418 281 HB2 SER 41 1HB SER 41 20.828 16.624 13.813 282 HB3 SER 41 2HB SER 41 20.367 17.447 15.302 283 HG SER 41 HG SER 41 18.906 15.576 15.606 284 H GLY 42 H GLY 42 18.488 19.086 15.647 285 HA2 GLY 42 1HA GLY 42 19.765 21.288 15.277 286 HA3 GLY 42 2HA GLY 42 18.820 21.354 13.797 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.111 -26.601 1.855 2 HA2 GLY 1 1HA GLY 1 -0.263 -26.036 4.401 3 HA3 GLY 1 2HA GLY 1 1.269 -25.333 3.906 4 H SER 2 H SER 2 1.001 -23.221 3.642 5 HA SER 2 HA SER 2 -1.526 -22.096 2.856 6 HB2 SER 2 1HB SER 2 1.183 -20.849 3.364 7 HB3 SER 2 2HB SER 2 -0.261 -19.921 2.958 8 HG SER 2 HG SER 2 -0.455 -21.742 5.058 9 H SER 3 H SER 3 -1.794 -23.063 0.779 10 HA SER 3 HA SER 3 -0.223 -21.715 -1.315 11 HB2 SER 3 1HB SER 3 -1.174 -24.588 -1.293 12 HB3 SER 3 2HB SER 3 -0.505 -23.777 -2.708 13 HG SER 3 HG SER 3 1.438 -23.530 -1.601 14 H GLY 4 H GLY 4 -1.434 -20.494 -2.596 15 HA2 GLY 4 1HA GLY 4 -3.725 -21.186 -3.936 16 HA3 GLY 4 2HA GLY 4 -4.293 -20.529 -2.408 17 H SER 5 H SER 5 -5.326 -18.935 -3.839 18 HA SER 5 HA SER 5 -3.658 -17.056 -5.236 19 HB2 SER 5 1HB SER 5 -6.183 -17.753 -5.643 20 HB3 SER 5 2HB SER 5 -6.491 -16.420 -4.531 21 HG SER 5 HG SER 5 -4.831 -15.367 -6.115 22 H SER 6 H SER 6 -2.478 -15.586 -4.222 23 HA SER 6 HA SER 6 -3.450 -14.499 -1.667 24 HB2 SER 6 1HB SER 6 -1.052 -13.802 -1.336 25 HB3 SER 6 2HB SER 6 -1.301 -15.546 -1.411 26 HG SER 6 HG SER 6 0.262 -15.361 -2.838 27 H GLY 7 H GLY 7 -4.113 -12.456 -1.589 28 HA2 GLY 7 1HA GLY 7 -4.147 -10.173 -2.036 29 HA3 GLY 7 2HA GLY 7 -2.919 -10.424 -3.268 30 H GLU 8 H GLU 8 -6.355 -10.532 -2.573 31 HA GLU 8 HA GLU 8 -6.908 -10.715 -5.456 32 HB2 GLU 8 1HB GLU 8 -9.135 -11.439 -4.879 33 HB3 GLU 8 2HB GLU 8 -7.972 -12.423 -4.001 34 HG2 GLU 8 1HG GLU 8 -8.561 -11.571 -1.976 35 HG3 GLU 8 2HG GLU 8 -9.047 -10.015 -2.647 36 H LYS 9 H LYS 9 -5.971 -8.289 -4.501 37 HA LYS 9 HA LYS 9 -8.392 -6.608 -4.557 38 HB2 LYS 9 1HB LYS 9 -5.853 -6.385 -3.023 39 HB3 LYS 9 2HB LYS 9 -6.583 -4.891 -3.596 40 HG2 LYS 9 1HG LYS 9 -7.365 -5.262 -1.390 41 HG3 LYS 9 2HG LYS 9 -8.708 -5.604 -2.484 42 HD2 LYS 9 1HD LYS 9 -8.719 -7.349 -0.895 43 HD3 LYS 9 2HD LYS 9 -8.004 -8.040 -2.354 44 HE2 LYS 9 1HE LYS 9 -5.845 -7.996 -1.452 45 HE3 LYS 9 2HE LYS 9 -6.299 -6.854 -0.188 46 HZ1 LYS 9 3HZ LYS 9 -6.285 -8.762 1.011 47 HZ2 LYS 9 1HZ LYS 9 -6.685 -9.747 -0.305 48 HZ3 LYS 9 2HZ LYS 9 -7.884 -8.837 0.465 49 HA PRO 10 HA PRO 10 -6.989 -4.983 -8.399 50 HB2 PRO 10 1HB PRO 10 -8.277 -2.594 -8.359 51 HB3 PRO 10 2HB PRO 10 -9.108 -4.128 -8.641 52 HG2 PRO 10 1HG PRO 10 -8.891 -2.526 -6.122 53 HG3 PRO 10 2HG PRO 10 -10.304 -3.350 -6.805 54 HD2 PRO 10 1HD PRO 10 -8.839 -4.404 -4.788 55 HD3 PRO 10 2HD PRO 10 -9.647 -5.410 -6.007 56 H TYR 11 H TYR 11 -6.142 -3.688 -5.395 57 HA TYR 11 HA TYR 11 -4.275 -1.790 -6.659 58 HB2 TYR 11 1HB TYR 11 -5.373 -1.696 -3.841 59 HB3 TYR 11 2HB TYR 11 -4.297 -0.514 -4.579 60 HD1 TYR 11 HD1 TYR 11 -5.181 0.704 -6.684 61 HD2 TYR 11 HD2 TYR 11 -7.679 -1.397 -3.954 62 HE1 TYR 11 HE1 TYR 11 -7.125 1.976 -7.493 63 HE2 TYR 11 HE2 TYR 11 -9.629 -0.132 -4.756 64 HH TYR 11 HH TYR 11 -9.716 2.479 -6.066 65 H SER 12 H SER 12 -2.277 -2.553 -6.707 66 HA SER 12 HA SER 12 -1.288 -4.060 -4.380 67 HB2 SER 12 1HB SER 12 0.042 -5.468 -5.907 68 HB3 SER 12 2HB SER 12 -1.685 -5.625 -6.226 69 HG SER 12 HG SER 12 -1.339 -4.912 -8.163 70 H CYS 13 H CYS 13 0.973 -3.876 -3.962 71 HA CYS 13 HA CYS 13 2.122 -1.386 -5.028 72 HB2 CYS 13 1HB CYS 13 1.669 -1.503 -2.565 73 HB3 CYS 13 2HB CYS 13 2.847 -2.807 -2.460 74 H ALA 14 H ALA 14 3.781 -1.564 -6.368 75 HA ALA 14 HA ALA 14 5.120 -4.109 -6.708 76 HB1 ALA 14 3HB ALA 14 4.395 -2.635 -8.615 77 HB2 ALA 14 1HB ALA 14 5.704 -1.542 -8.165 78 HB3 ALA 14 2HB ALA 14 6.068 -3.190 -8.678 79 H GLU 15 H GLU 15 5.565 -2.751 -4.203 80 HA GLU 15 HA GLU 15 8.482 -2.449 -4.382 81 HB2 GLU 15 1HB GLU 15 6.588 -0.681 -2.829 82 HB3 GLU 15 2HB GLU 15 8.331 -0.687 -2.603 83 HG2 GLU 15 1HG GLU 15 7.139 -0.197 -5.301 84 HG3 GLU 15 2HG GLU 15 7.275 1.102 -4.117 85 H CYS 16 H CYS 16 5.706 -2.963 -2.230 86 HA CYS 16 HA CYS 16 7.422 -4.695 -0.573 87 HB2 CYS 16 1HB CYS 16 5.957 -4.147 1.329 88 HB3 CYS 16 2HB CYS 16 6.720 -2.707 0.662 89 H LYS 17 H LYS 17 4.976 -4.694 -2.781 90 HA LYS 17 HA LYS 17 3.478 -6.251 -3.490 91 HB2 LYS 17 1HB LYS 17 5.138 -7.947 -1.631 92 HB3 LYS 17 2HB LYS 17 3.798 -8.609 -2.559 93 HG2 LYS 17 1HG LYS 17 5.611 -9.083 -3.897 94 HG3 LYS 17 2HG LYS 17 5.017 -7.575 -4.596 95 HD2 LYS 17 1HD LYS 17 6.760 -6.328 -3.698 96 HD3 LYS 17 2HD LYS 17 7.115 -7.533 -2.459 97 HE2 LYS 17 1HE LYS 17 7.438 -8.290 -5.320 98 HE3 LYS 17 2HE LYS 17 8.653 -7.246 -4.583 99 HZ1 LYS 17 3HZ LYS 17 7.813 -9.871 -3.479 100 HZ2 LYS 17 1HZ LYS 17 9.077 -8.895 -2.922 101 HZ3 LYS 17 2HZ LYS 17 9.186 -9.635 -4.439 102 H GLU 18 H GLU 18 2.451 -4.524 -1.700 103 HA GLU 18 HA GLU 18 0.971 -6.123 0.264 104 HB2 GLU 18 1HB GLU 18 1.686 -3.240 0.034 105 HB3 GLU 18 2HB GLU 18 0.190 -3.650 0.862 106 HG2 GLU 18 1HG GLU 18 2.870 -4.812 1.573 107 HG3 GLU 18 2HG GLU 18 2.175 -3.387 2.344 108 H THR 19 H THR 19 -1.353 -5.170 0.617 109 HA THR 19 HA THR 19 -2.631 -4.729 -1.996 110 HB THR 19 HB THR 19 -4.537 -6.189 -1.155 111 HG1 THR 19 HG1 THR 19 -3.317 -6.207 1.048 112 HG21 THR 19 3HG2 THR 19 -2.861 -6.863 -2.888 113 HG22 THR 19 1HG2 THR 19 -3.544 -8.210 -1.979 114 HG23 THR 19 2HG2 THR 19 -1.922 -7.626 -1.605 115 H PHE 20 H PHE 20 -4.503 -3.488 -1.983 116 HA PHE 20 HA PHE 20 -5.367 -2.380 0.590 117 HB2 PHE 20 1HB PHE 20 -4.907 -0.621 -1.818 118 HB3 PHE 20 2HB PHE 20 -5.243 -0.125 -0.162 119 HD1 PHE 20 HD2 PHE 20 -2.699 -1.458 -2.445 120 HD2 PHE 20 HD1 PHE 20 -3.508 -0.024 1.480 121 HE1 PHE 20 HE2 PHE 20 -0.283 -1.290 -2.012 122 HE2 PHE 20 HE1 PHE 20 -1.093 0.148 1.919 123 HZ PHE 20 HZ PHE 20 0.523 -0.487 0.172 124 H SER 21 H SER 21 -7.520 -1.999 0.750 125 HA SER 21 HA SER 21 -9.241 -3.171 -1.184 126 HB2 SER 21 1HB SER 21 -11.065 -2.405 0.286 127 HB3 SER 21 2HB SER 21 -9.784 -3.190 1.209 128 HG SER 21 HG SER 21 -8.983 -0.892 1.428 129 H ASP 22 H ASP 22 -8.408 0.148 -0.337 130 HA ASP 22 HA ASP 22 -9.965 1.069 -2.664 131 HB2 ASP 22 1HB ASP 22 -9.458 2.305 0.015 132 HB3 ASP 22 2HB ASP 22 -9.722 3.351 -1.377 133 H ASN 23 H ASN 23 -9.052 3.254 -3.497 134 HA ASN 23 HA ASN 23 -6.310 2.749 -4.250 135 HB2 ASN 23 1HB ASN 23 -7.439 3.514 -6.098 136 HB3 ASN 23 2HB ASN 23 -8.479 4.579 -5.156 137 HD21 ASN 23 1HD2 ASN 23 -5.829 4.396 -7.184 138 HD22 ASN 23 2HD2 ASN 23 -5.216 5.996 -6.959 139 H ASN 24 H ASN 24 -8.094 5.318 -2.569 140 HA ASN 24 HA ASN 24 -6.217 7.202 -2.117 141 HB2 ASN 24 1HB ASN 24 -8.578 7.130 -1.199 142 HB3 ASN 24 2HB ASN 24 -7.950 6.149 0.122 143 HD21 ASN 24 1HD2 ASN 24 -8.568 9.245 -0.948 144 HD22 ASN 24 2HD2 ASN 24 -7.656 10.120 0.230 145 H ARG 25 H ARG 25 -6.489 4.137 -0.359 146 HA ARG 25 HA ARG 25 -4.390 4.606 1.460 147 HB2 ARG 25 1HB ARG 25 -5.851 2.196 0.482 148 HB3 ARG 25 2HB ARG 25 -4.348 1.955 1.362 149 HG2 ARG 25 1HG ARG 25 -5.335 3.418 3.177 150 HG3 ARG 25 2HG ARG 25 -6.873 3.260 2.325 151 HD2 ARG 25 1HD ARG 25 -6.846 1.588 4.009 152 HD3 ARG 25 2HD ARG 25 -6.577 0.768 2.472 153 HE ARG 25 HE ARG 25 -4.550 0.091 3.260 154 HH11 ARG 25 1HH1 ARG 25 -5.578 2.866 5.093 155 HH12 ARG 25 2HH1 ARG 25 -4.244 2.796 6.196 156 HH21 ARG 25 1HH2 ARG 25 -2.788 -0.012 4.705 157 HH22 ARG 25 2HH2 ARG 25 -2.657 1.159 5.973 158 H LEU 26 H LEU 26 -4.456 3.081 -1.735 159 HA LEU 26 HA LEU 26 -1.776 2.228 -1.774 160 HB2 LEU 26 1HB LEU 26 -3.512 1.447 -3.336 161 HB3 LEU 26 2HB LEU 26 -3.525 3.039 -4.093 162 HG LEU 26 HG LEU 26 -1.083 2.630 -4.658 163 HD11 LEU 26 1HD1 LEU 26 -0.474 0.864 -3.235 164 HD12 LEU 26 2HD1 LEU 26 -0.561 0.149 -4.844 165 HD13 LEU 26 3HD1 LEU 26 -1.875 -0.103 -3.695 166 HD21 LEU 26 3HD2 LEU 26 -1.975 0.717 -6.374 167 HD22 LEU 26 1HD2 LEU 26 -2.225 2.451 -6.580 168 HD23 LEU 26 2HD2 LEU 26 -3.489 1.458 -5.854 169 H VAL 27 H VAL 27 -3.302 5.219 -2.919 170 HA VAL 27 HA VAL 27 -1.055 6.410 -4.067 171 HB VAL 27 HB VAL 27 -3.370 7.755 -2.666 172 HG11 VAL 27 1HG1 VAL 27 -1.985 9.158 -4.838 173 HG12 VAL 27 2HG1 VAL 27 -2.590 9.765 -3.296 174 HG13 VAL 27 3HG1 VAL 27 -1.030 8.946 -3.371 175 HG21 VAL 27 3HG2 VAL 27 -3.493 7.988 -5.485 176 HG22 VAL 27 1HG2 VAL 27 -3.211 6.289 -5.102 177 HG23 VAL 27 2HG2 VAL 27 -4.597 7.131 -4.409 178 H GLN 28 H GLN 28 -2.393 7.008 -0.811 179 HA GLN 28 HA GLN 28 -0.278 8.594 0.101 180 HB2 GLN 28 1HB GLN 28 -2.412 6.986 1.448 181 HB3 GLN 28 2HB GLN 28 -1.123 7.688 2.416 182 HG2 GLN 28 1HG GLN 28 -1.694 9.907 1.457 183 HG3 GLN 28 2HG GLN 28 -3.073 9.154 0.659 184 HE21 GLN 28 1HE2 GLN 28 -4.374 10.653 1.853 185 HE22 GLN 28 2HE2 GLN 28 -4.787 10.321 3.497 186 H HIS 29 H HIS 29 -0.805 5.100 0.325 187 HA HIS 29 HA HIS 29 1.379 4.464 1.946 188 HB2 HIS 29 1HB HIS 29 -0.221 2.763 1.592 189 HB3 HIS 29 2HB HIS 29 -0.109 2.907 -0.160 190 HD1 HIS 29 HD1 HIS 29 1.468 1.260 2.767 191 HD2 HIS 29 HD2 HIS 29 2.142 1.629 -1.316 192 HE1 HIS 29 HE1 HIS 29 3.182 -0.493 2.207 193 H GLN 30 H GLN 30 1.153 4.414 -1.612 194 HA GLN 30 HA GLN 30 3.643 3.618 -2.319 195 HB2 GLN 30 1HB GLN 30 1.818 5.680 -3.496 196 HB3 GLN 30 2HB GLN 30 3.411 5.429 -4.197 197 HG2 GLN 30 1HG GLN 30 2.637 2.903 -4.142 198 HG3 GLN 30 2HG GLN 30 1.041 3.651 -4.178 199 HE21 GLN 30 1HE2 GLN 30 0.749 2.680 -6.241 200 HE22 GLN 30 2HE2 GLN 30 1.447 3.390 -7.653 201 H LYS 31 H LYS 31 2.747 6.937 -1.415 202 HA LYS 31 HA LYS 31 5.207 8.162 -1.767 203 HB2 LYS 31 1HB LYS 31 3.182 8.745 0.402 204 HB3 LYS 31 2HB LYS 31 4.441 9.839 -0.156 205 HG2 LYS 31 1HG LYS 31 3.402 10.086 -2.277 206 HG3 LYS 31 2HG LYS 31 2.264 8.779 -1.939 207 HD2 LYS 31 1HD LYS 31 1.415 10.183 -0.018 208 HD3 LYS 31 2HD LYS 31 2.384 11.508 -0.668 209 HE2 LYS 31 1HE LYS 31 1.090 11.677 -2.588 210 HE3 LYS 31 2HE LYS 31 0.457 10.040 -2.425 211 HZ1 LYS 31 3HZ LYS 31 -1.326 11.279 -1.755 212 HZ2 LYS 31 1HZ LYS 31 -0.381 12.498 -1.059 213 HZ3 LYS 31 2HZ LYS 31 -0.575 11.019 -0.261 214 H MET 32 H MET 32 4.028 6.229 0.928 215 HA MET 32 HA MET 32 5.906 6.762 2.865 216 HB2 MET 32 1HB MET 32 3.872 5.085 2.782 217 HB3 MET 32 2HB MET 32 5.125 3.918 2.381 218 HG2 MET 32 1HG MET 32 6.292 4.996 4.495 219 HG3 MET 32 2HG MET 32 4.622 5.372 4.912 220 HE1 MET 32 3HE MET 32 3.609 2.426 6.753 221 HE2 MET 32 1HE MET 32 3.758 4.176 6.592 222 HE3 MET 32 2HE MET 32 2.728 3.274 5.481 223 H HIS 33 H HIS 33 6.302 5.030 -0.119 224 HA HIS 33 HA HIS 33 8.873 3.925 0.648 225 HB2 HIS 33 1HB HIS 33 7.322 3.863 -1.945 226 HB3 HIS 33 2HB HIS 33 8.901 3.112 -1.735 227 HD1 HIS 33 HD1 HIS 33 9.013 0.979 -0.262 228 HD2 HIS 33 HD2 HIS 33 5.182 2.495 -0.795 229 HE1 HIS 33 HE1 HIS 33 7.457 -0.838 0.515 230 H THR 34 H THR 34 8.275 6.895 0.408 231 HA THR 34 HA THR 34 10.550 7.536 -1.352 232 HB THR 34 HB THR 34 8.273 9.453 -0.912 233 HG1 THR 34 HG1 THR 34 7.172 8.545 -2.519 234 HG21 THR 34 3HG2 THR 34 9.162 10.632 -2.730 235 HG22 THR 34 1HG2 THR 34 10.107 9.251 -3.282 236 HG23 THR 34 2HG2 THR 34 10.584 10.119 -1.823 237 H VAL 35 H VAL 35 10.902 6.984 1.326 238 HA VAL 35 HA VAL 35 11.263 9.638 2.551 239 HB VAL 35 HB VAL 35 11.459 8.454 4.709 240 HG11 VAL 35 1HG1 VAL 35 8.898 7.409 3.705 241 HG12 VAL 35 2HG1 VAL 35 9.230 8.517 5.037 242 HG13 VAL 35 3HG1 VAL 35 9.202 9.114 3.377 243 HG21 VAL 35 3HG2 VAL 35 10.447 5.967 3.386 244 HG22 VAL 35 1HG2 VAL 35 12.179 6.281 3.494 245 HG23 VAL 35 2HG2 VAL 35 11.211 6.162 4.963 246 H LYS 36 H LYS 36 13.188 9.594 4.170 247 HA LYS 36 HA LYS 36 15.492 8.326 2.839 248 HB2 LYS 36 1HB LYS 36 15.129 10.933 2.718 249 HB3 LYS 36 2HB LYS 36 15.789 10.892 4.348 250 HG2 LYS 36 1HG LYS 36 17.686 11.233 3.120 251 HG3 LYS 36 2HG LYS 36 17.676 9.471 3.225 252 HD2 LYS 36 1HD LYS 36 16.282 9.677 1.002 253 HD3 LYS 36 2HD LYS 36 17.089 11.244 0.902 254 HE2 LYS 36 1HE LYS 36 18.598 8.689 1.379 255 HE3 LYS 36 2HE LYS 36 18.223 9.267 -0.243 256 HZ1 LYS 36 3HZ LYS 36 20.190 10.301 -0.000 257 HZ2 LYS 36 1HZ LYS 36 20.134 10.285 1.691 258 HZ3 LYS 36 2HZ LYS 36 19.276 11.459 0.827 259 H SER 37 H SER 37 16.663 7.022 4.081 260 HA SER 37 HA SER 37 16.039 6.746 6.877 261 HB2 SER 37 1HB SER 37 17.956 5.314 5.035 262 HB3 SER 37 2HB SER 37 17.845 4.950 6.757 263 HG SER 37 HG SER 37 15.416 4.848 6.070 264 H GLY 38 H GLY 38 17.605 6.830 8.595 265 HA2 GLY 38 1HA GLY 38 18.978 9.173 8.865 266 HA3 GLY 38 2HA GLY 38 19.397 7.712 9.746 267 HA PRO 39 HA PRO 39 22.607 9.009 6.398 268 HB2 PRO 39 1HB PRO 39 24.199 10.688 7.818 269 HB3 PRO 39 2HB PRO 39 22.838 11.252 6.841 270 HG2 PRO 39 1HG PRO 39 22.985 10.786 9.795 271 HG3 PRO 39 2HG PRO 39 22.245 12.133 8.910 272 HD2 PRO 39 1HD PRO 39 20.796 10.078 9.915 273 HD3 PRO 39 2HD PRO 39 20.337 10.931 8.428 274 H SER 40 H SER 40 23.147 8.754 9.910 275 HA SER 40 HA SER 40 25.410 6.955 9.377 276 HB2 SER 40 1HB SER 40 25.570 9.095 10.879 277 HB3 SER 40 2HB SER 40 24.797 8.075 12.092 278 HG SER 40 HG SER 40 27.102 8.000 12.176 279 H SER 41 H SER 41 25.690 5.302 11.262 280 HA SER 41 HA SER 41 23.076 4.013 11.708 281 HB2 SER 41 1HB SER 41 25.748 2.624 11.408 282 HB3 SER 41 2HB SER 41 24.163 1.859 11.524 283 HG SER 41 HG SER 41 24.013 2.082 9.452 284 H GLY 42 H GLY 42 26.406 4.067 12.999 285 HA2 GLY 42 1HA GLY 42 27.155 3.676 15.156 286 HA3 GLY 42 2HA GLY 42 25.985 4.936 15.520 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -18.066 -28.007 2.312 2 HA2 GLY 1 1HA GLY 1 -18.654 -25.983 0.277 3 HA3 GLY 1 2HA GLY 1 -19.646 -26.361 1.677 4 H SER 2 H SER 2 -18.243 -23.864 0.492 5 HA SER 2 HA SER 2 -17.502 -22.781 3.093 6 HB2 SER 2 1HB SER 2 -15.675 -22.547 0.690 7 HB3 SER 2 2HB SER 2 -15.415 -21.807 2.269 8 HG SER 2 HG SER 2 -14.385 -23.966 1.690 9 H SER 3 H SER 3 -18.165 -20.728 3.360 10 HA SER 3 HA SER 3 -20.017 -19.539 1.716 11 HB2 SER 3 1HB SER 3 -19.573 -17.444 2.963 12 HB3 SER 3 2HB SER 3 -19.685 -18.841 4.033 13 HG SER 3 HG SER 3 -17.738 -18.419 4.664 14 H GLY 4 H GLY 4 -16.531 -18.829 1.873 15 HA2 GLY 4 1HA GLY 4 -15.686 -18.605 -0.569 16 HA3 GLY 4 2HA GLY 4 -16.795 -17.242 -0.587 17 H SER 5 H SER 5 -13.645 -18.181 -0.056 18 HA SER 5 HA SER 5 -13.074 -15.863 1.660 19 HB2 SER 5 1HB SER 5 -12.220 -17.997 2.507 20 HB3 SER 5 2HB SER 5 -11.345 -18.261 0.998 21 HG SER 5 HG SER 5 -10.003 -16.574 1.486 22 H SER 6 H SER 6 -13.565 -14.688 -0.465 23 HA SER 6 HA SER 6 -12.077 -14.724 -2.739 24 HB2 SER 6 1HB SER 6 -13.262 -12.446 -1.182 25 HB3 SER 6 2HB SER 6 -12.331 -12.125 -2.645 26 HG SER 6 HG SER 6 -14.506 -13.941 -2.543 27 H GLY 7 H GLY 7 -10.110 -13.970 -3.447 28 HA2 GLY 7 1HA GLY 7 -8.323 -12.711 -1.493 29 HA3 GLY 7 2HA GLY 7 -7.820 -14.235 -2.209 30 H GLU 8 H GLU 8 -8.733 -10.904 -2.979 31 HA GLU 8 HA GLU 8 -6.595 -10.540 -4.771 32 HB2 GLU 8 1HB GLU 8 -7.833 -10.385 -6.893 33 HB3 GLU 8 2HB GLU 8 -7.852 -12.018 -6.240 34 HG2 GLU 8 1HG GLU 8 -10.096 -11.871 -5.616 35 HG3 GLU 8 2HG GLU 8 -10.108 -10.113 -5.742 36 H LYS 9 H LYS 9 -6.379 -8.404 -5.406 37 HA LYS 9 HA LYS 9 -8.564 -6.557 -4.800 38 HB2 LYS 9 1HB LYS 9 -5.759 -6.133 -3.761 39 HB3 LYS 9 2HB LYS 9 -7.155 -5.099 -3.486 40 HG2 LYS 9 1HG LYS 9 -6.966 -7.947 -2.534 41 HG3 LYS 9 2HG LYS 9 -6.530 -6.543 -1.556 42 HD2 LYS 9 1HD LYS 9 -9.206 -6.568 -2.851 43 HD3 LYS 9 2HD LYS 9 -8.949 -7.621 -1.458 44 HE2 LYS 9 1HE LYS 9 -8.103 -4.763 -1.314 45 HE3 LYS 9 2HE LYS 9 -9.809 -5.167 -1.138 46 HZ1 LYS 9 3HZ LYS 9 -9.106 -6.759 0.634 47 HZ2 LYS 9 1HZ LYS 9 -8.868 -5.128 1.016 48 HZ3 LYS 9 2HZ LYS 9 -7.555 -6.089 0.552 49 HA PRO 10 HA PRO 10 -7.258 -4.669 -8.555 50 HB2 PRO 10 1HB PRO 10 -8.334 -2.202 -8.202 51 HB3 PRO 10 2HB PRO 10 -9.307 -3.631 -8.572 52 HG2 PRO 10 1HG PRO 10 -8.807 -2.311 -5.932 53 HG3 PRO 10 2HG PRO 10 -10.323 -2.949 -6.595 54 HD2 PRO 10 1HD PRO 10 -8.835 -4.311 -4.789 55 HD3 PRO 10 2HD PRO 10 -9.797 -5.123 -6.041 56 H TYR 11 H TYR 11 -6.399 -3.375 -5.451 57 HA TYR 11 HA TYR 11 -4.280 -1.754 -6.700 58 HB2 TYR 11 1HB TYR 11 -5.397 -1.487 -3.902 59 HB3 TYR 11 2HB TYR 11 -4.247 -0.409 -4.685 60 HD1 TYR 11 HD1 TYR 11 -5.047 0.829 -6.793 61 HD2 TYR 11 HD2 TYR 11 -7.689 -1.073 -4.054 62 HE1 TYR 11 HE1 TYR 11 -6.904 2.202 -7.641 63 HE2 TYR 11 HE2 TYR 11 -9.553 0.293 -4.894 64 HH TYR 11 HH TYR 11 -9.523 1.907 -7.721 65 H SER 12 H SER 12 -2.340 -2.649 -6.638 66 HA SER 12 HA SER 12 -1.485 -4.052 -4.215 67 HB2 SER 12 1HB SER 12 -2.241 -5.820 -5.724 68 HB3 SER 12 2HB SER 12 -1.219 -5.183 -7.012 69 HG SER 12 HG SER 12 0.119 -6.612 -6.188 70 H CYS 13 H CYS 13 0.545 -3.575 -3.624 71 HA CYS 13 HA CYS 13 2.010 -1.636 -5.177 72 HB2 CYS 13 1HB CYS 13 1.741 -1.882 -2.552 73 HB3 CYS 13 2HB CYS 13 3.162 -2.906 -2.732 74 H ALA 14 H ALA 14 4.377 -1.901 -5.533 75 HA ALA 14 HA ALA 14 4.961 -4.648 -6.423 76 HB1 ALA 14 3HB ALA 14 4.846 -3.243 -8.322 77 HB2 ALA 14 1HB ALA 14 5.817 -1.992 -7.545 78 HB3 ALA 14 2HB ALA 14 6.560 -3.520 -8.017 79 H GLU 15 H GLU 15 6.258 -1.806 -4.799 80 HA GLU 15 HA GLU 15 8.869 -2.845 -4.392 81 HB2 GLU 15 1HB GLU 15 7.377 -0.703 -2.866 82 HB3 GLU 15 2HB GLU 15 9.102 -1.023 -2.742 83 HG2 GLU 15 1HG GLU 15 9.383 -0.441 -5.096 84 HG3 GLU 15 2HG GLU 15 7.654 -0.123 -5.222 85 H CYS 16 H CYS 16 6.092 -2.497 -2.183 86 HA CYS 16 HA CYS 16 7.371 -4.349 -0.316 87 HB2 CYS 16 1HB CYS 16 5.767 -3.618 1.304 88 HB3 CYS 16 2HB CYS 16 6.368 -2.183 0.480 89 H LYS 17 H LYS 17 4.844 -4.204 -2.655 90 HA LYS 17 HA LYS 17 3.474 -5.806 -3.515 91 HB2 LYS 17 1HB LYS 17 4.869 -7.751 -1.672 92 HB3 LYS 17 2HB LYS 17 3.953 -8.135 -3.124 93 HG2 LYS 17 1HG LYS 17 6.437 -6.449 -3.187 94 HG3 LYS 17 2HG LYS 17 6.475 -8.210 -3.309 95 HD2 LYS 17 1HD LYS 17 4.786 -6.507 -5.124 96 HD3 LYS 17 2HD LYS 17 6.467 -6.901 -5.493 97 HE2 LYS 17 1HE LYS 17 4.499 -9.057 -4.820 98 HE3 LYS 17 2HE LYS 17 4.579 -8.392 -6.451 99 HZ1 LYS 17 3HZ LYS 17 6.021 -10.448 -5.743 100 HZ2 LYS 17 1HZ LYS 17 7.078 -9.249 -5.191 101 HZ3 LYS 17 2HZ LYS 17 6.622 -9.289 -6.819 102 H GLU 18 H GLU 18 2.325 -4.256 -1.688 103 HA GLU 18 HA GLU 18 0.859 -6.073 0.105 104 HB2 GLU 18 1HB GLU 18 2.157 -4.017 1.005 105 HB3 GLU 18 2HB GLU 18 0.828 -3.078 0.338 106 HG2 GLU 18 1HG GLU 18 0.559 -5.275 2.378 107 HG3 GLU 18 2HG GLU 18 0.539 -3.546 2.722 108 H THR 19 H THR 19 -1.312 -6.270 -0.052 109 HA THR 19 HA THR 19 -2.577 -5.060 -2.384 110 HB THR 19 HB THR 19 -4.465 -6.622 -1.856 111 HG1 THR 19 HG1 THR 19 -2.634 -7.661 0.069 112 HG21 THR 19 3HG2 THR 19 -1.756 -7.336 -2.678 113 HG22 THR 19 1HG2 THR 19 -3.305 -7.743 -3.415 114 HG23 THR 19 2HG2 THR 19 -2.685 -8.709 -2.076 115 H PHE 20 H PHE 20 -4.068 -3.495 -2.297 116 HA PHE 20 HA PHE 20 -5.115 -2.739 0.352 117 HB2 PHE 20 1HB PHE 20 -4.563 -0.890 -1.978 118 HB3 PHE 20 2HB PHE 20 -5.126 -0.418 -0.378 119 HD1 PHE 20 HD2 PHE 20 -2.268 -1.848 -2.232 120 HD2 PHE 20 HD1 PHE 20 -3.616 -0.060 1.388 121 HE1 PHE 20 HE2 PHE 20 0.065 -1.596 -1.492 122 HE2 PHE 20 HE1 PHE 20 -1.285 0.197 2.133 123 HZ PHE 20 HZ PHE 20 0.559 -0.573 0.694 124 H SER 21 H SER 21 -7.239 -1.777 0.384 125 HA SER 21 HA SER 21 -8.984 -2.993 -1.611 126 HB2 SER 21 1HB SER 21 -10.778 -2.628 -0.048 127 HB3 SER 21 2HB SER 21 -9.407 -3.276 0.853 128 HG SER 21 HG SER 21 -9.102 -1.369 1.801 129 H ASP 22 H ASP 22 -8.290 0.180 -0.200 130 HA ASP 22 HA ASP 22 -9.855 1.423 -2.362 131 HB2 ASP 22 1HB ASP 22 -9.097 2.413 0.386 132 HB3 ASP 22 2HB ASP 22 -9.730 3.482 -0.864 133 H ASN 23 H ASN 23 -8.964 3.074 -3.598 134 HA ASN 23 HA ASN 23 -6.224 2.867 -4.186 135 HB2 ASN 23 1HB ASN 23 -7.503 3.621 -5.976 136 HB3 ASN 23 2HB ASN 23 -8.402 4.765 -4.984 137 HD21 ASN 23 1HD2 ASN 23 -8.013 6.465 -6.380 138 HD22 ASN 23 2HD2 ASN 23 -6.460 7.210 -6.523 139 H ASN 24 H ASN 24 -8.039 5.449 -2.536 140 HA ASN 24 HA ASN 24 -6.096 7.273 -2.029 141 HB2 ASN 24 1HB ASN 24 -8.445 6.338 -0.440 142 HB3 ASN 24 2HB ASN 24 -7.309 7.446 0.324 143 HD21 ASN 24 1HD2 ASN 24 -8.985 8.995 0.417 144 HD22 ASN 24 2HD2 ASN 24 -9.427 9.908 -0.982 145 H ARG 25 H ARG 25 -6.548 4.188 -0.394 146 HA ARG 25 HA ARG 25 -4.603 4.619 1.629 147 HB2 ARG 25 1HB ARG 25 -5.730 2.054 0.493 148 HB3 ARG 25 2HB ARG 25 -4.720 2.151 1.929 149 HG2 ARG 25 1HG ARG 25 -6.530 3.795 2.786 150 HG3 ARG 25 2HG ARG 25 -7.534 3.063 1.533 151 HD2 ARG 25 1HD ARG 25 -6.708 0.822 2.580 152 HD3 ARG 25 2HD ARG 25 -6.350 1.828 3.983 153 HE ARG 25 HE ARG 25 -9.025 2.102 2.918 154 HH11 ARG 25 1HH1 ARG 25 -6.946 0.486 5.195 155 HH12 ARG 25 2HH1 ARG 25 -8.242 0.024 6.249 156 HH21 ARG 25 1HH2 ARG 25 -10.739 1.500 4.297 157 HH22 ARG 25 2HH2 ARG 25 -10.399 0.600 5.736 158 H LEU 26 H LEU 26 -4.491 3.274 -1.618 159 HA LEU 26 HA LEU 26 -1.782 2.354 -1.389 160 HB2 LEU 26 1HB LEU 26 -3.351 1.285 -2.913 161 HB3 LEU 26 2HB LEU 26 -3.527 2.793 -3.809 162 HG LEU 26 HG LEU 26 -0.943 2.522 -4.169 163 HD11 LEU 26 1HD1 LEU 26 -1.815 -0.325 -3.697 164 HD12 LEU 26 2HD1 LEU 26 -0.700 0.594 -2.687 165 HD13 LEU 26 3HD1 LEU 26 -0.259 0.192 -4.346 166 HD21 LEU 26 3HD2 LEU 26 -2.954 0.819 -5.637 167 HD22 LEU 26 1HD2 LEU 26 -1.391 1.357 -6.251 168 HD23 LEU 26 2HD2 LEU 26 -2.662 2.535 -5.922 169 H VAL 27 H VAL 27 -3.318 4.968 -3.272 170 HA VAL 27 HA VAL 27 -1.040 6.155 -4.280 171 HB VAL 27 HB VAL 27 -3.339 6.803 -4.917 172 HG11 VAL 27 1HG1 VAL 27 -3.795 7.067 -2.246 173 HG12 VAL 27 2HG1 VAL 27 -3.631 8.750 -2.748 174 HG13 VAL 27 3HG1 VAL 27 -4.834 7.713 -3.515 175 HG21 VAL 27 3HG2 VAL 27 -2.122 9.352 -4.015 176 HG22 VAL 27 1HG2 VAL 27 -1.143 8.300 -5.037 177 HG23 VAL 27 2HG2 VAL 27 -2.708 8.877 -5.609 178 H GLN 28 H GLN 28 -2.370 6.327 -1.059 179 HA GLN 28 HA GLN 28 -0.608 8.489 -0.266 180 HB2 GLN 28 1HB GLN 28 -2.750 6.896 1.096 181 HB3 GLN 28 2HB GLN 28 -1.616 7.837 2.056 182 HG2 GLN 28 1HG GLN 28 -3.149 9.077 -0.197 183 HG3 GLN 28 2HG GLN 28 -3.850 8.905 1.412 184 HE21 GLN 28 1HE2 GLN 28 -1.579 10.583 -0.555 185 HE22 GLN 28 2HE2 GLN 28 -1.104 11.760 0.616 186 H HIS 29 H HIS 29 -0.895 5.006 0.183 187 HA HIS 29 HA HIS 29 1.152 4.717 2.101 188 HB2 HIS 29 1HB HIS 29 -0.146 2.820 1.972 189 HB3 HIS 29 2HB HIS 29 -0.268 2.892 0.217 190 HD1 HIS 29 HD1 HIS 29 1.719 1.423 2.963 191 HD2 HIS 29 HD2 HIS 29 1.969 1.784 -1.168 192 HE1 HIS 29 HE1 HIS 29 3.487 -0.217 2.252 193 H GLN 30 H GLN 30 1.181 4.552 -1.439 194 HA GLN 30 HA GLN 30 3.779 3.724 -1.866 195 HB2 GLN 30 1HB GLN 30 2.074 5.659 -3.432 196 HB3 GLN 30 2HB GLN 30 3.633 5.079 -4.001 197 HG2 GLN 30 1HG GLN 30 2.724 2.747 -3.786 198 HG3 GLN 30 2HG GLN 30 1.144 3.474 -3.501 199 HE21 GLN 30 1HE2 GLN 30 0.751 2.089 -5.459 200 HE22 GLN 30 2HE2 GLN 30 0.968 2.837 -7.001 201 H LYS 31 H LYS 31 2.607 6.814 -0.783 202 HA LYS 31 HA LYS 31 4.761 8.464 -1.375 203 HB2 LYS 31 1HB LYS 31 3.115 8.557 1.158 204 HB3 LYS 31 2HB LYS 31 3.995 9.890 0.422 205 HG2 LYS 31 1HG LYS 31 1.912 8.533 -1.199 206 HG3 LYS 31 2HG LYS 31 1.394 9.596 0.111 207 HD2 LYS 31 1HD LYS 31 2.266 11.475 -0.887 208 HD3 LYS 31 2HD LYS 31 3.479 10.562 -1.788 209 HE2 LYS 31 1HE LYS 31 0.572 10.199 -2.389 210 HE3 LYS 31 2HE LYS 31 1.440 11.591 -3.036 211 HZ1 LYS 31 3HZ LYS 31 3.121 9.684 -3.713 212 HZ2 LYS 31 1HZ LYS 31 1.819 10.125 -4.699 213 HZ3 LYS 31 2HZ LYS 31 1.702 8.763 -3.703 214 H MET 32 H MET 32 4.340 6.150 1.243 215 HA MET 32 HA MET 32 6.576 6.903 2.780 216 HB2 MET 32 1HB MET 32 4.841 4.496 2.582 217 HB3 MET 32 2HB MET 32 6.394 4.306 3.386 218 HG2 MET 32 1HG MET 32 5.842 5.808 5.076 219 HG3 MET 32 2HG MET 32 4.520 6.510 4.146 220 HE1 MET 32 3HE MET 32 1.760 5.190 6.005 221 HE2 MET 32 1HE MET 32 3.088 5.885 6.934 222 HE3 MET 32 2HE MET 32 2.695 6.530 5.341 223 H HIS 33 H HIS 33 6.298 5.204 -0.195 224 HA HIS 33 HA HIS 33 8.884 3.923 -0.001 225 HB2 HIS 33 1HB HIS 33 6.794 4.106 -2.160 226 HB3 HIS 33 2HB HIS 33 8.385 3.422 -2.480 227 HD1 HIS 33 HD1 HIS 33 8.994 1.473 -0.494 228 HD2 HIS 33 HD2 HIS 33 5.031 2.176 -1.523 229 HE1 HIS 33 HE1 HIS 33 7.738 -0.583 0.227 230 H THR 34 H THR 34 8.516 6.922 0.094 231 HA THR 34 HA THR 34 10.000 7.748 -2.286 232 HB THR 34 HB THR 34 8.078 9.129 -1.593 233 HG1 THR 34 HG1 THR 34 9.204 10.720 -2.398 234 HG21 THR 34 3HG2 THR 34 7.869 10.140 0.455 235 HG22 THR 34 1HG2 THR 34 9.609 10.171 0.740 236 HG23 THR 34 2HG2 THR 34 8.710 8.666 0.933 237 H VAL 35 H VAL 35 12.025 8.704 -2.209 238 HA VAL 35 HA VAL 35 13.619 7.993 0.124 239 HB VAL 35 HB VAL 35 14.619 7.319 -1.915 240 HG11 VAL 35 1HG1 VAL 35 15.198 9.535 -3.438 241 HG12 VAL 35 2HG1 VAL 35 13.923 8.360 -3.765 242 HG13 VAL 35 3HG1 VAL 35 13.551 9.846 -2.890 243 HG21 VAL 35 3HG2 VAL 35 16.740 8.358 -1.819 244 HG22 VAL 35 1HG2 VAL 35 16.052 9.876 -1.242 245 HG23 VAL 35 2HG2 VAL 35 16.077 8.462 -0.188 246 H LYS 36 H LYS 36 13.665 9.447 1.711 247 HA LYS 36 HA LYS 36 13.626 12.301 1.060 248 HB2 LYS 36 1HB LYS 36 13.211 12.622 3.478 249 HB3 LYS 36 2HB LYS 36 12.005 11.594 2.717 250 HG2 LYS 36 1HG LYS 36 12.803 9.675 3.751 251 HG3 LYS 36 2HG LYS 36 14.371 10.403 4.107 252 HD2 LYS 36 1HD LYS 36 13.519 11.661 5.878 253 HD3 LYS 36 2HD LYS 36 11.853 11.495 5.316 254 HE2 LYS 36 1HE LYS 36 12.308 8.942 5.735 255 HE3 LYS 36 2HE LYS 36 13.564 9.558 6.806 256 HZ1 LYS 36 3HZ LYS 36 12.013 10.588 8.165 257 HZ2 LYS 36 1HZ LYS 36 11.250 9.130 7.770 258 HZ3 LYS 36 2HZ LYS 36 10.795 10.561 6.991 259 H SER 37 H SER 37 15.634 9.821 2.488 260 HA SER 37 HA SER 37 17.701 11.810 3.110 261 HB2 SER 37 1HB SER 37 16.921 10.015 4.798 262 HB3 SER 37 2HB SER 37 17.848 8.885 3.813 263 HG SER 37 HG SER 37 19.609 10.529 4.115 264 H GLY 38 H GLY 38 18.314 12.163 0.920 265 HA2 GLY 38 1HA GLY 38 20.558 11.133 -0.040 266 HA3 GLY 38 2HA GLY 38 19.418 9.897 -0.552 267 HA PRO 39 HA PRO 39 19.734 13.386 -3.709 268 HB2 PRO 39 1HB PRO 39 20.767 11.894 -5.729 269 HB3 PRO 39 2HB PRO 39 21.774 12.738 -4.546 270 HG2 PRO 39 1HG PRO 39 20.969 9.856 -4.636 271 HG3 PRO 39 2HG PRO 39 22.551 10.565 -4.263 272 HD2 PRO 39 1HD PRO 39 20.858 9.690 -2.340 273 HD3 PRO 39 2HD PRO 39 21.959 11.060 -2.092 274 H SER 40 H SER 40 18.270 13.694 -5.369 275 HA SER 40 HA SER 40 15.919 12.217 -5.371 276 HB2 SER 40 1HB SER 40 15.295 13.486 -7.366 277 HB3 SER 40 2HB SER 40 16.098 14.540 -6.201 278 HG SER 40 HG SER 40 18.070 14.009 -7.481 279 H SER 41 H SER 41 15.379 10.318 -6.204 280 HA SER 41 HA SER 41 15.544 8.328 -7.307 281 HB2 SER 41 1HB SER 41 16.159 10.340 -9.464 282 HB3 SER 41 2HB SER 41 16.073 8.614 -9.813 283 HG SER 41 HG SER 41 13.962 8.628 -9.471 284 H GLY 42 H GLY 42 17.737 8.732 -5.746 285 HA2 GLY 42 1HA GLY 42 20.166 8.391 -7.265 286 HA3 GLY 42 2HA GLY 42 20.007 8.318 -5.517 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.357 -28.509 -5.207 2 HA2 GLY 1 1HA GLY 1 -13.813 -27.471 -6.317 3 HA3 GLY 1 2HA GLY 1 -13.453 -27.707 -4.613 4 H SER 2 H SER 2 -14.700 -25.427 -5.981 5 HA SER 2 HA SER 2 -12.702 -23.318 -5.656 6 HB2 SER 2 1HB SER 2 -15.500 -23.342 -6.791 7 HB3 SER 2 2HB SER 2 -14.604 -21.849 -6.512 8 HG SER 2 HG SER 2 -12.898 -23.053 -7.812 9 H SER 3 H SER 3 -13.385 -24.616 -3.297 10 HA SER 3 HA SER 3 -15.422 -23.160 -1.894 11 HB2 SER 3 1HB SER 3 -13.378 -25.220 -1.125 12 HB3 SER 3 2HB SER 3 -14.245 -24.331 0.126 13 HG SER 3 HG SER 3 -15.684 -25.842 -0.192 14 H GLY 4 H GLY 4 -11.892 -23.396 -1.386 15 HA2 GLY 4 1HA GLY 4 -11.780 -21.141 0.328 16 HA3 GLY 4 2HA GLY 4 -10.407 -21.912 -0.452 17 H SER 5 H SER 5 -12.369 -19.173 -0.345 18 HA SER 5 HA SER 5 -11.841 -18.295 -3.050 19 HB2 SER 5 1HB SER 5 -13.338 -17.207 -0.705 20 HB3 SER 5 2HB SER 5 -12.813 -16.082 -1.956 21 HG SER 5 HG SER 5 -14.057 -18.427 -2.794 22 H SER 6 H SER 6 -9.741 -17.886 -3.440 23 HA SER 6 HA SER 6 -8.414 -15.914 -1.701 24 HB2 SER 6 1HB SER 6 -7.337 -18.490 -2.812 25 HB3 SER 6 2HB SER 6 -6.247 -17.146 -2.469 26 HG SER 6 HG SER 6 -6.997 -18.891 -0.763 27 H GLY 7 H GLY 7 -8.970 -14.221 -3.090 28 HA2 GLY 7 1HA GLY 7 -7.813 -14.359 -5.801 29 HA3 GLY 7 2HA GLY 7 -9.139 -13.306 -5.329 30 H GLU 8 H GLU 8 -8.014 -11.499 -6.162 31 HA GLU 8 HA GLU 8 -6.066 -10.420 -4.273 32 HB2 GLU 8 1HB GLU 8 -5.559 -11.004 -7.145 33 HB3 GLU 8 2HB GLU 8 -4.916 -9.500 -6.502 34 HG2 GLU 8 1HG GLU 8 -3.466 -10.568 -5.074 35 HG3 GLU 8 2HG GLU 8 -4.423 -12.047 -5.037 36 H LYS 9 H LYS 9 -5.962 -8.145 -4.234 37 HA LYS 9 HA LYS 9 -8.399 -6.867 -5.155 38 HB2 LYS 9 1HB LYS 9 -6.129 -5.767 -3.486 39 HB3 LYS 9 2HB LYS 9 -7.670 -4.971 -3.777 40 HG2 LYS 9 1HG LYS 9 -7.392 -7.633 -2.404 41 HG3 LYS 9 2HG LYS 9 -7.476 -6.085 -1.560 42 HD2 LYS 9 1HD LYS 9 -9.594 -6.717 -3.550 43 HD3 LYS 9 2HD LYS 9 -9.635 -7.554 -1.997 44 HE2 LYS 9 1HE LYS 9 -10.872 -5.718 -1.459 45 HE3 LYS 9 2HE LYS 9 -9.265 -5.097 -1.082 46 HZ1 LYS 9 3HZ LYS 9 -10.631 -3.558 -2.416 47 HZ2 LYS 9 1HZ LYS 9 -10.647 -4.686 -3.676 48 HZ3 LYS 9 2HZ LYS 9 -9.187 -3.988 -3.184 49 HA PRO 10 HA PRO 10 -6.707 -4.799 -8.640 50 HB2 PRO 10 1HB PRO 10 -8.138 -2.492 -8.614 51 HB3 PRO 10 2HB PRO 10 -8.835 -4.050 -9.074 52 HG2 PRO 10 1HG PRO 10 -8.998 -2.599 -6.461 53 HG3 PRO 10 2HG PRO 10 -10.273 -3.456 -7.345 54 HD2 PRO 10 1HD PRO 10 -8.976 -4.550 -5.236 55 HD3 PRO 10 2HD PRO 10 -9.581 -5.522 -6.593 56 H TYR 11 H TYR 11 -6.156 -3.766 -5.514 57 HA TYR 11 HA TYR 11 -4.345 -1.632 -6.438 58 HB2 TYR 11 1HB TYR 11 -5.714 -1.843 -3.748 59 HB3 TYR 11 2HB TYR 11 -4.624 -0.558 -4.254 60 HD1 TYR 11 HD1 TYR 11 -5.369 0.612 -6.550 61 HD2 TYR 11 HD2 TYR 11 -7.974 -1.414 -3.864 62 HE1 TYR 11 HE1 TYR 11 -7.275 1.879 -7.451 63 HE2 TYR 11 HE2 TYR 11 -9.887 -0.154 -4.759 64 HH TYR 11 HH TYR 11 -10.546 1.462 -6.134 65 H SER 12 H SER 12 -2.427 -2.654 -6.584 66 HA SER 12 HA SER 12 -1.433 -3.981 -4.150 67 HB2 SER 12 1HB SER 12 -1.971 -5.598 -6.012 68 HB3 SER 12 2HB SER 12 -0.711 -4.815 -6.966 69 HG SER 12 HG SER 12 -0.265 -5.930 -4.398 70 H CYS 13 H CYS 13 0.906 -3.937 -3.902 71 HA CYS 13 HA CYS 13 2.084 -1.547 -5.159 72 HB2 CYS 13 1HB CYS 13 1.662 -1.511 -2.652 73 HB3 CYS 13 2HB CYS 13 2.907 -2.748 -2.515 74 H ALA 14 H ALA 14 3.723 -1.888 -6.494 75 HA ALA 14 HA ALA 14 4.965 -4.505 -6.631 76 HB1 ALA 14 3HB ALA 14 4.329 -2.575 -8.512 77 HB2 ALA 14 1HB ALA 14 6.089 -2.508 -8.404 78 HB3 ALA 14 2HB ALA 14 5.285 -4.032 -8.783 79 H GLU 15 H GLU 15 5.474 -2.615 -4.361 80 HA GLU 15 HA GLU 15 8.404 -2.453 -4.638 81 HB2 GLU 15 1HB GLU 15 7.557 -0.219 -4.492 82 HB3 GLU 15 2HB GLU 15 6.509 -0.641 -3.144 83 HG2 GLU 15 1HG GLU 15 8.175 0.379 -2.002 84 HG3 GLU 15 2HG GLU 15 8.813 -1.264 -2.014 85 H CYS 16 H CYS 16 5.698 -3.112 -2.471 86 HA CYS 16 HA CYS 16 7.523 -4.711 -0.805 87 HB2 CYS 16 1HB CYS 16 6.258 -4.057 1.185 88 HB3 CYS 16 2HB CYS 16 6.929 -2.641 0.383 89 H LYS 17 H LYS 17 4.918 -4.723 -2.824 90 HA LYS 17 HA LYS 17 3.363 -6.287 -3.382 91 HB2 LYS 17 1HB LYS 17 4.876 -8.019 -1.418 92 HB3 LYS 17 2HB LYS 17 3.681 -8.595 -2.573 93 HG2 LYS 17 1HG LYS 17 6.193 -7.165 -3.396 94 HG3 LYS 17 2HG LYS 17 6.089 -8.918 -3.220 95 HD2 LYS 17 1HD LYS 17 4.207 -7.351 -4.967 96 HD3 LYS 17 2HD LYS 17 5.745 -7.984 -5.558 97 HE2 LYS 17 1HE LYS 17 3.893 -9.832 -4.138 98 HE3 LYS 17 2HE LYS 17 3.503 -9.359 -5.790 99 HZ1 LYS 17 3HZ LYS 17 5.294 -10.454 -6.628 100 HZ2 LYS 17 1HZ LYS 17 5.003 -11.433 -5.279 101 HZ3 LYS 17 2HZ LYS 17 6.228 -10.267 -5.229 102 H GLU 18 H GLU 18 2.360 -4.472 -1.767 103 HA GLU 18 HA GLU 18 0.860 -5.972 0.279 104 HB2 GLU 18 1HB GLU 18 2.393 -4.047 1.016 105 HB3 GLU 18 2HB GLU 18 1.211 -2.982 0.267 106 HG2 GLU 18 1HG GLU 18 -0.454 -3.556 1.799 107 HG3 GLU 18 2HG GLU 18 0.407 -4.999 2.329 108 H THR 19 H THR 19 -1.259 -6.176 -0.013 109 HA THR 19 HA THR 19 -2.511 -4.820 -2.260 110 HB THR 19 HB THR 19 -4.420 -6.316 -1.855 111 HG1 THR 19 HG1 THR 19 -3.768 -8.063 -0.192 112 HG21 THR 19 3HG2 THR 19 -1.888 -7.940 -1.742 113 HG22 THR 19 1HG2 THR 19 -2.364 -7.024 -3.171 114 HG23 THR 19 2HG2 THR 19 -3.395 -8.324 -2.573 115 H PHE 20 H PHE 20 -4.462 -3.638 -2.102 116 HA PHE 20 HA PHE 20 -5.215 -2.728 0.582 117 HB2 PHE 20 1HB PHE 20 -4.652 -0.904 -1.765 118 HB3 PHE 20 2HB PHE 20 -5.316 -0.393 -0.217 119 HD1 PHE 20 HD2 PHE 20 -2.327 -1.717 -1.907 120 HD2 PHE 20 HD1 PHE 20 -3.924 -0.067 1.676 121 HE1 PHE 20 HE2 PHE 20 -0.046 -1.402 -1.040 122 HE2 PHE 20 HE1 PHE 20 -1.646 0.252 2.549 123 HZ PHE 20 HZ PHE 20 0.297 -0.417 1.191 124 H SER 21 H SER 21 -7.328 -1.696 0.666 125 HA SER 21 HA SER 21 -9.192 -3.036 -1.092 126 HB2 SER 21 1HB SER 21 -10.918 -2.151 0.409 127 HB3 SER 21 2HB SER 21 -9.626 -2.916 1.334 128 HG SER 21 HG SER 21 -9.790 -1.049 2.359 129 H ASP 22 H ASP 22 -8.496 0.334 -0.183 130 HA ASP 22 HA ASP 22 -9.927 1.208 -2.601 131 HB2 ASP 22 1HB ASP 22 -10.707 2.108 -0.397 132 HB3 ASP 22 2HB ASP 22 -9.135 2.882 -0.210 133 H ASN 23 H ASN 23 -9.005 3.251 -3.596 134 HA ASN 23 HA ASN 23 -6.266 2.746 -4.285 135 HB2 ASN 23 1HB ASN 23 -7.691 3.464 -6.057 136 HB3 ASN 23 2HB ASN 23 -8.249 4.857 -5.134 137 HD21 ASN 23 1HD2 ASN 23 -7.177 6.726 -5.295 138 HD22 ASN 23 2HD2 ASN 23 -5.712 6.950 -6.184 139 H ASN 24 H ASN 24 -8.007 5.369 -2.642 140 HA ASN 24 HA ASN 24 -6.082 7.222 -2.227 141 HB2 ASN 24 1HB ASN 24 -8.323 6.235 -0.524 142 HB3 ASN 24 2HB ASN 24 -7.160 7.338 0.205 143 HD21 ASN 24 1HD2 ASN 24 -6.583 9.163 -1.533 144 HD22 ASN 24 2HD2 ASN 24 -7.978 9.987 -2.133 145 H ARG 25 H ARG 25 -6.550 4.331 -0.199 146 HA ARG 25 HA ARG 25 -4.426 4.759 1.554 147 HB2 ARG 25 1HB ARG 25 -5.437 2.081 0.581 148 HB3 ARG 25 2HB ARG 25 -4.571 2.395 2.078 149 HG2 ARG 25 1HG ARG 25 -6.396 3.338 3.100 150 HG3 ARG 25 2HG ARG 25 -7.143 3.807 1.571 151 HD2 ARG 25 1HD ARG 25 -8.480 2.044 2.190 152 HD3 ARG 25 2HD ARG 25 -7.282 1.224 1.191 153 HE ARG 25 HE ARG 25 -6.484 0.154 3.065 154 HH11 ARG 25 1HH1 ARG 25 -8.664 2.702 4.000 155 HH12 ARG 25 2HH1 ARG 25 -8.742 2.204 5.658 156 HH21 ARG 25 1HH2 ARG 25 -6.577 -0.511 5.244 157 HH22 ARG 25 2HH2 ARG 25 -7.553 0.378 6.365 158 H LEU 26 H LEU 26 -4.501 2.955 -1.506 159 HA LEU 26 HA LEU 26 -1.854 2.064 -1.487 160 HB2 LEU 26 1HB LEU 26 -3.552 1.234 -3.034 161 HB3 LEU 26 2HB LEU 26 -3.584 2.798 -3.845 162 HG LEU 26 HG LEU 26 -1.114 2.367 -4.372 163 HD11 LEU 26 1HD1 LEU 26 -0.268 0.580 -3.328 164 HD12 LEU 26 2HD1 LEU 26 -1.079 -0.354 -4.584 165 HD13 LEU 26 3HD1 LEU 26 -1.859 -0.115 -3.021 166 HD21 LEU 26 3HD2 LEU 26 -2.930 0.401 -5.709 167 HD22 LEU 26 1HD2 LEU 26 -1.682 1.431 -6.411 168 HD23 LEU 26 2HD2 LEU 26 -3.209 2.135 -5.879 169 H VAL 27 H VAL 27 -3.234 4.970 -3.016 170 HA VAL 27 HA VAL 27 -0.913 6.026 -4.095 171 HB VAL 27 HB VAL 27 -3.246 7.534 -2.908 172 HG11 VAL 27 1HG1 VAL 27 -1.865 9.292 -3.176 173 HG12 VAL 27 2HG1 VAL 27 -0.790 8.415 -4.267 174 HG13 VAL 27 3HG1 VAL 27 -2.288 9.119 -4.879 175 HG21 VAL 27 3HG2 VAL 27 -3.606 5.825 -4.803 176 HG22 VAL 27 1HG2 VAL 27 -4.267 7.449 -5.000 177 HG23 VAL 27 2HG2 VAL 27 -2.771 7.000 -5.820 178 H GLN 28 H GLN 28 -2.369 6.946 -0.967 179 HA GLN 28 HA GLN 28 -0.268 8.543 -0.080 180 HB2 GLN 28 1HB GLN 28 -2.342 6.951 1.418 181 HB3 GLN 28 2HB GLN 28 -1.178 7.982 2.239 182 HG2 GLN 28 1HG GLN 28 -2.013 9.900 0.919 183 HG3 GLN 28 2HG GLN 28 -3.243 8.843 0.228 184 HE21 GLN 28 1HE2 GLN 28 -2.929 11.203 2.325 185 HE22 GLN 28 2HE2 GLN 28 -4.088 10.755 3.525 186 H HIS 29 H HIS 29 -0.706 5.070 0.058 187 HA HIS 29 HA HIS 29 1.388 4.524 1.889 188 HB2 HIS 29 1HB HIS 29 -0.157 2.782 1.631 189 HB3 HIS 29 2HB HIS 29 -0.112 2.876 -0.127 190 HD1 HIS 29 HD1 HIS 29 1.845 1.558 2.801 191 HD2 HIS 29 HD2 HIS 29 1.834 1.330 -1.347 192 HE1 HIS 29 HE1 HIS 29 3.476 -0.267 2.223 193 H GLN 30 H GLN 30 1.233 4.544 -1.656 194 HA GLN 30 HA GLN 30 3.832 3.671 -2.170 195 HB2 GLN 30 1HB GLN 30 2.030 5.518 -3.735 196 HB3 GLN 30 2HB GLN 30 3.565 4.918 -4.349 197 HG2 GLN 30 1HG GLN 30 2.526 2.585 -3.752 198 HG3 GLN 30 2HG GLN 30 1.009 3.473 -3.886 199 HE21 GLN 30 1HE2 GLN 30 0.150 2.930 -5.765 200 HE22 GLN 30 2HE2 GLN 30 0.963 2.940 -7.289 201 H LYS 31 H LYS 31 2.672 6.705 -1.010 202 HA LYS 31 HA LYS 31 4.907 8.295 -1.771 203 HB2 LYS 31 1HB LYS 31 2.727 8.639 0.279 204 HB3 LYS 31 2HB LYS 31 4.015 9.820 0.084 205 HG2 LYS 31 1HG LYS 31 3.321 10.375 -2.093 206 HG3 LYS 31 2HG LYS 31 2.276 8.957 -2.205 207 HD2 LYS 31 1HD LYS 31 0.741 10.624 -1.782 208 HD3 LYS 31 2HD LYS 31 1.076 10.039 -0.151 209 HE2 LYS 31 1HE LYS 31 2.711 12.267 -1.279 210 HE3 LYS 31 2HE LYS 31 1.088 12.605 -0.678 211 HZ1 LYS 31 3HZ LYS 31 3.261 12.628 0.855 212 HZ2 LYS 31 1HZ LYS 31 2.775 11.022 1.074 213 HZ3 LYS 31 2HZ LYS 31 1.712 12.284 1.443 214 H MET 32 H MET 32 4.013 6.602 1.219 215 HA MET 32 HA MET 32 6.101 7.420 2.843 216 HB2 MET 32 1HB MET 32 4.781 4.701 2.759 217 HB3 MET 32 2HB MET 32 5.743 5.324 4.092 218 HG2 MET 32 1HG MET 32 4.078 7.213 4.245 219 HG3 MET 32 2HG MET 32 3.072 6.293 3.128 220 HE1 MET 32 3HE MET 32 1.971 3.710 3.937 221 HE2 MET 32 1HE MET 32 1.014 4.268 5.310 222 HE3 MET 32 2HE MET 32 1.229 5.310 3.903 223 H HIS 33 H HIS 33 6.090 5.129 0.219 224 HA HIS 33 HA HIS 33 8.529 3.825 0.835 225 HB2 HIS 33 1HB HIS 33 6.784 4.053 -1.573 226 HB3 HIS 33 2HB HIS 33 8.429 3.464 -1.795 227 HD1 HIS 33 HD1 HIS 33 8.707 1.712 0.710 228 HD2 HIS 33 HD2 HIS 33 5.356 1.745 -1.746 229 HE1 HIS 33 HE1 HIS 33 7.577 -0.504 1.083 230 H THR 34 H THR 34 7.751 6.844 -0.689 231 HA THR 34 HA THR 34 9.748 7.534 -2.308 232 HB THR 34 HB THR 34 8.010 9.099 -1.367 233 HG1 THR 34 HG1 THR 34 10.679 10.103 -1.403 234 HG21 THR 34 3HG2 THR 34 9.853 10.138 0.653 235 HG22 THR 34 1HG2 THR 34 9.190 8.553 1.046 236 HG23 THR 34 2HG2 THR 34 8.107 9.907 0.726 237 H VAL 35 H VAL 35 11.885 8.263 -2.204 238 HA VAL 35 HA VAL 35 13.357 7.327 0.162 239 HB VAL 35 HB VAL 35 15.334 7.229 -1.275 240 HG11 VAL 35 1HG1 VAL 35 12.916 5.671 -1.687 241 HG12 VAL 35 2HG1 VAL 35 13.993 5.636 -3.085 242 HG13 VAL 35 3HG1 VAL 35 14.586 5.138 -1.500 243 HG21 VAL 35 3HG2 VAL 35 14.705 7.409 -3.836 244 HG22 VAL 35 1HG2 VAL 35 13.493 8.529 -3.214 245 HG23 VAL 35 2HG2 VAL 35 15.205 8.823 -2.909 246 H LYS 36 H LYS 36 13.832 8.901 1.543 247 HA LYS 36 HA LYS 36 15.126 11.314 0.546 248 HB2 LYS 36 1HB LYS 36 13.708 12.817 1.807 249 HB3 LYS 36 2HB LYS 36 12.719 11.875 0.700 250 HG2 LYS 36 1HG LYS 36 11.924 10.490 2.468 251 HG3 LYS 36 2HG LYS 36 13.077 11.189 3.607 252 HD2 LYS 36 1HD LYS 36 11.044 12.248 4.100 253 HD3 LYS 36 2HD LYS 36 11.928 13.422 3.123 254 HE2 LYS 36 1HE LYS 36 10.688 12.538 1.125 255 HE3 LYS 36 2HE LYS 36 9.696 11.601 2.241 256 HZ1 LYS 36 3HZ LYS 36 8.573 13.628 1.723 257 HZ2 LYS 36 1HZ LYS 36 9.930 14.558 2.122 258 HZ3 LYS 36 2HZ LYS 36 9.093 13.721 3.330 259 H SER 37 H SER 37 16.714 12.029 1.862 260 HA SER 37 HA SER 37 17.140 10.533 4.348 261 HB2 SER 37 1HB SER 37 19.475 11.256 4.179 262 HB3 SER 37 2HB SER 37 18.959 10.486 2.678 263 HG SER 37 HG SER 37 18.412 12.909 2.211 264 H GLY 38 H GLY 38 16.736 11.469 6.234 265 HA2 GLY 38 1HA GLY 38 17.010 13.197 7.836 266 HA3 GLY 38 2HA GLY 38 17.158 14.355 6.523 267 HA PRO 39 HA PRO 39 12.894 14.667 8.371 268 HB2 PRO 39 1HB PRO 39 12.967 17.359 8.715 269 HB3 PRO 39 2HB PRO 39 13.563 16.219 9.927 270 HG2 PRO 39 1HG PRO 39 15.094 17.793 7.893 271 HG3 PRO 39 2HG PRO 39 15.476 17.500 9.600 272 HD2 PRO 39 1HD PRO 39 16.646 16.118 7.586 273 HD3 PRO 39 2HD PRO 39 16.327 15.400 9.178 274 H SER 40 H SER 40 11.256 16.560 7.676 275 HA SER 40 HA SER 40 11.141 16.383 4.786 276 HB2 SER 40 1HB SER 40 9.171 17.646 6.707 277 HB3 SER 40 2HB SER 40 8.878 17.255 5.012 278 HG SER 40 HG SER 40 8.773 15.649 7.210 279 H SER 41 H SER 41 11.602 17.963 3.391 280 HA SER 41 HA SER 41 12.277 19.965 2.549 281 HB2 SER 41 1HB SER 41 10.610 20.927 4.875 282 HB3 SER 41 2HB SER 41 11.373 22.034 3.735 283 HG SER 41 HG SER 41 9.351 20.123 3.263 284 H GLY 42 H GLY 42 14.130 18.604 4.105 285 HA2 GLY 42 1HA GLY 42 16.005 18.869 5.440 286 HA3 GLY 42 2HA GLY 42 16.206 20.293 4.430 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.162 -13.903 2.144 2 HA2 GLY 1 1HA GLY 1 0.978 -12.465 2.771 3 HA3 GLY 1 2HA GLY 1 0.880 -13.876 1.728 4 H SER 2 H SER 2 -0.704 -12.536 4.110 5 HA SER 2 HA SER 2 -0.933 -14.687 5.995 6 HB2 SER 2 1HB SER 2 -2.699 -12.264 5.571 7 HB3 SER 2 2HB SER 2 -2.771 -13.352 6.956 8 HG SER 2 HG SER 2 -1.414 -11.911 7.726 9 H SER 3 H SER 3 -2.478 -16.247 6.144 10 HA SER 3 HA SER 3 -3.699 -17.193 3.818 11 HB2 SER 3 1HB SER 3 -4.270 -17.789 6.727 12 HB3 SER 3 2HB SER 3 -5.012 -18.670 5.392 13 HG SER 3 HG SER 3 -2.321 -18.610 6.209 14 H GLY 4 H GLY 4 -5.559 -16.748 2.815 15 HA2 GLY 4 1HA GLY 4 -7.638 -15.278 4.298 16 HA3 GLY 4 2HA GLY 4 -7.077 -14.677 2.745 17 H SER 5 H SER 5 -9.344 -14.859 2.129 18 HA SER 5 HA SER 5 -10.132 -17.630 1.513 19 HB2 SER 5 1HB SER 5 -11.632 -16.153 3.002 20 HB3 SER 5 2HB SER 5 -12.017 -15.279 1.519 21 HG SER 5 HG SER 5 -12.204 -18.054 1.437 22 H SER 6 H SER 6 -8.300 -16.584 -0.169 23 HA SER 6 HA SER 6 -7.860 -16.215 -2.370 24 HB2 SER 6 1HB SER 6 -9.478 -18.079 -2.676 25 HB3 SER 6 2HB SER 6 -10.781 -16.896 -2.789 26 HG SER 6 HG SER 6 -9.009 -17.692 -4.679 27 H GLY 7 H GLY 7 -8.329 -13.961 -0.874 28 HA2 GLY 7 1HA GLY 7 -10.074 -12.258 -2.511 29 HA3 GLY 7 2HA GLY 7 -9.432 -11.849 -0.927 30 H GLU 8 H GLU 8 -9.209 -11.151 -4.124 31 HA GLU 8 HA GLU 8 -6.418 -10.241 -3.854 32 HB2 GLU 8 1HB GLU 8 -6.185 -10.434 -6.271 33 HB3 GLU 8 2HB GLU 8 -6.659 -11.978 -5.576 34 HG2 GLU 8 1HG GLU 8 -9.062 -11.235 -6.172 35 HG3 GLU 8 2HG GLU 8 -8.261 -10.088 -7.243 36 H LYS 9 H LYS 9 -6.245 -8.118 -3.672 37 HA LYS 9 HA LYS 9 -8.452 -6.397 -4.449 38 HB2 LYS 9 1HB LYS 9 -5.961 -6.055 -2.825 39 HB3 LYS 9 2HB LYS 9 -6.765 -4.631 -3.473 40 HG2 LYS 9 1HG LYS 9 -7.738 -4.784 -1.410 41 HG3 LYS 9 2HG LYS 9 -8.889 -5.700 -2.386 42 HD2 LYS 9 1HD LYS 9 -7.497 -7.757 -1.736 43 HD3 LYS 9 2HD LYS 9 -6.795 -6.722 -0.490 44 HE2 LYS 9 1HE LYS 9 -8.549 -7.736 0.630 45 HE3 LYS 9 2HE LYS 9 -9.258 -6.204 0.120 46 HZ1 LYS 9 3HZ LYS 9 -10.717 -8.119 -0.287 47 HZ2 LYS 9 1HZ LYS 9 -9.563 -8.774 -1.337 48 HZ3 LYS 9 2HZ LYS 9 -10.316 -7.308 -1.717 49 HA PRO 10 HA PRO 10 -6.726 -5.130 -8.294 50 HB2 PRO 10 1HB PRO 10 -7.934 -2.711 -8.539 51 HB3 PRO 10 2HB PRO 10 -8.793 -4.240 -8.759 52 HG2 PRO 10 1HG PRO 10 -8.704 -2.445 -6.365 53 HG3 PRO 10 2HG PRO 10 -10.092 -3.284 -7.084 54 HD2 PRO 10 1HD PRO 10 -8.809 -4.209 -4.886 55 HD3 PRO 10 2HD PRO 10 -9.561 -5.289 -6.078 56 H TYR 11 H TYR 11 -6.171 -3.475 -5.356 57 HA TYR 11 HA TYR 11 -4.170 -1.726 -6.617 58 HB2 TYR 11 1HB TYR 11 -5.309 -1.544 -3.821 59 HB3 TYR 11 2HB TYR 11 -4.259 -0.370 -4.608 60 HD1 TYR 11 HD1 TYR 11 -5.213 0.559 -6.910 61 HD2 TYR 11 HD2 TYR 11 -7.577 -1.120 -3.797 62 HE1 TYR 11 HE1 TYR 11 -7.184 1.753 -7.771 63 HE2 TYR 11 HE2 TYR 11 -9.554 0.067 -4.650 64 HH TYR 11 HH TYR 11 -9.310 2.395 -7.274 65 H SER 12 H SER 12 -2.305 -2.828 -6.736 66 HA SER 12 HA SER 12 -1.310 -4.087 -4.263 67 HB2 SER 12 1HB SER 12 -0.258 -5.808 -5.524 68 HB3 SER 12 2HB SER 12 -1.895 -5.678 -6.166 69 HG SER 12 HG SER 12 0.514 -5.179 -7.378 70 H CYS 13 H CYS 13 0.641 -3.460 -3.550 71 HA CYS 13 HA CYS 13 1.943 -1.258 -4.884 72 HB2 CYS 13 1HB CYS 13 1.614 -1.497 -2.362 73 HB3 CYS 13 2HB CYS 13 2.916 -2.681 -2.410 74 H ALA 14 H ALA 14 3.570 -1.417 -6.270 75 HA ALA 14 HA ALA 14 4.790 -3.988 -6.787 76 HB1 ALA 14 3HB ALA 14 5.035 -3.187 -8.843 77 HB2 ALA 14 1HB ALA 14 4.239 -1.706 -8.311 78 HB3 ALA 14 2HB ALA 14 5.998 -1.833 -8.254 79 H GLU 15 H GLU 15 5.326 -2.373 -4.272 80 HA GLU 15 HA GLU 15 8.262 -2.284 -4.514 81 HB2 GLU 15 1HB GLU 15 6.361 -0.589 -2.921 82 HB3 GLU 15 2HB GLU 15 8.039 -0.762 -2.426 83 HG2 GLU 15 1HG GLU 15 7.856 1.230 -3.705 84 HG3 GLU 15 2HG GLU 15 8.718 0.042 -4.680 85 H CYS 16 H CYS 16 5.666 -2.785 -2.120 86 HA CYS 16 HA CYS 16 7.403 -4.752 -0.783 87 HB2 CYS 16 1HB CYS 16 5.973 -4.342 1.229 88 HB3 CYS 16 2HB CYS 16 6.885 -2.930 0.702 89 H LYS 17 H LYS 17 4.846 -4.537 -2.835 90 HA LYS 17 HA LYS 17 3.284 -6.013 -3.579 91 HB2 LYS 17 1HB LYS 17 4.817 -7.935 -1.820 92 HB3 LYS 17 2HB LYS 17 3.571 -8.409 -2.966 93 HG2 LYS 17 1HG LYS 17 6.043 -6.908 -3.781 94 HG3 LYS 17 2HG LYS 17 5.957 -8.671 -3.733 95 HD2 LYS 17 1HD LYS 17 3.975 -7.009 -5.267 96 HD3 LYS 17 2HD LYS 17 5.500 -7.547 -5.975 97 HE2 LYS 17 1HE LYS 17 4.821 -9.893 -5.300 98 HE3 LYS 17 2HE LYS 17 3.223 -9.231 -4.957 99 HZ1 LYS 17 3HZ LYS 17 3.804 -10.229 -7.292 100 HZ2 LYS 17 1HZ LYS 17 4.421 -8.679 -7.573 101 HZ3 LYS 17 2HZ LYS 17 2.795 -8.879 -7.152 102 H GLU 18 H GLU 18 2.297 -4.377 -1.750 103 HA GLU 18 HA GLU 18 0.849 -6.047 0.189 104 HB2 GLU 18 1HB GLU 18 2.225 -3.861 0.776 105 HB3 GLU 18 2HB GLU 18 0.741 -3.066 0.270 106 HG2 GLU 18 1HG GLU 18 0.711 -3.361 2.646 107 HG3 GLU 18 2HG GLU 18 -0.506 -4.407 1.917 108 H THR 19 H THR 19 -1.398 -5.915 0.365 109 HA THR 19 HA THR 19 -2.729 -4.989 -2.079 110 HB THR 19 HB THR 19 -4.616 -6.418 -1.382 111 HG1 THR 19 HG1 THR 19 -2.887 -7.177 0.757 112 HG21 THR 19 3HG2 THR 19 -2.271 -7.215 -2.496 113 HG22 THR 19 1HG2 THR 19 -3.682 -8.255 -2.305 114 HG23 THR 19 2HG2 THR 19 -2.378 -8.311 -1.120 115 H PHE 20 H PHE 20 -4.570 -3.695 -2.021 116 HA PHE 20 HA PHE 20 -5.315 -2.540 0.569 117 HB2 PHE 20 1HB PHE 20 -4.639 -0.937 -1.907 118 HB3 PHE 20 2HB PHE 20 -5.322 -0.273 -0.426 119 HD1 PHE 20 HD2 PHE 20 -2.333 -1.677 -1.998 120 HD2 PHE 20 HD1 PHE 20 -3.976 -0.001 1.553 121 HE1 PHE 20 HE2 PHE 20 -0.064 -1.369 -1.097 122 HE2 PHE 20 HE1 PHE 20 -1.710 0.311 2.459 123 HZ PHE 20 HZ PHE 20 0.250 -0.375 1.134 124 H SER 21 H SER 21 -7.445 -1.974 0.770 125 HA SER 21 HA SER 21 -9.286 -3.181 -1.026 126 HB2 SER 21 1HB SER 21 -11.020 -2.186 0.433 127 HB3 SER 21 2HB SER 21 -9.773 -3.017 1.363 128 HG SER 21 HG SER 21 -10.505 -0.757 1.979 129 H ASP 22 H ASP 22 -8.421 0.186 -0.330 130 HA ASP 22 HA ASP 22 -9.888 0.985 -2.758 131 HB2 ASP 22 1HB ASP 22 -10.529 1.920 -0.404 132 HB3 ASP 22 2HB ASP 22 -9.102 2.930 -0.614 133 H ASN 23 H ASN 23 -8.925 3.209 -3.573 134 HA ASN 23 HA ASN 23 -6.183 2.622 -4.287 135 HB2 ASN 23 1HB ASN 23 -7.349 3.349 -6.153 136 HB3 ASN 23 2HB ASN 23 -8.266 4.546 -5.243 137 HD21 ASN 23 1HD2 ASN 23 -5.729 4.052 -7.341 138 HD22 ASN 23 2HD2 ASN 23 -4.954 5.589 -7.190 139 H ASN 24 H ASN 24 -7.917 5.399 -2.876 140 HA ASN 24 HA ASN 24 -5.983 7.180 -2.378 141 HB2 ASN 24 1HB ASN 24 -7.194 7.943 -0.469 142 HB3 ASN 24 2HB ASN 24 -8.384 7.276 -1.583 143 HD21 ASN 24 1HD2 ASN 24 -6.973 7.081 1.513 144 HD22 ASN 24 2HD2 ASN 24 -7.901 5.749 2.106 145 H ARG 25 H ARG 25 -6.602 4.373 -0.273 146 HA ARG 25 HA ARG 25 -4.566 4.788 1.564 147 HB2 ARG 25 1HB ARG 25 -5.691 2.180 0.528 148 HB3 ARG 25 2HB ARG 25 -4.665 2.326 1.949 149 HG2 ARG 25 1HG ARG 25 -6.351 3.742 3.017 150 HG3 ARG 25 2HG ARG 25 -7.381 3.578 1.594 151 HD2 ARG 25 1HD ARG 25 -7.171 1.046 1.996 152 HD3 ARG 25 2HD ARG 25 -6.594 1.494 3.601 153 HE ARG 25 HE ARG 25 -9.097 2.710 2.833 154 HH11 ARG 25 1HH1 ARG 25 -7.543 -0.002 4.365 155 HH12 ARG 25 2HH1 ARG 25 -8.934 -0.437 5.302 156 HH21 ARG 25 1HH2 ARG 25 -10.935 2.148 4.061 157 HH22 ARG 25 2HH2 ARG 25 -10.863 0.786 5.127 158 H LEU 26 H LEU 26 -4.466 3.049 -1.525 159 HA LEU 26 HA LEU 26 -1.816 2.143 -1.337 160 HB2 LEU 26 1HB LEU 26 -3.379 1.249 -2.958 161 HB3 LEU 26 2HB LEU 26 -3.470 2.813 -3.766 162 HG LEU 26 HG LEU 26 -0.964 2.514 -4.217 163 HD11 LEU 26 1HD1 LEU 26 -0.127 0.772 -3.052 164 HD12 LEU 26 2HD1 LEU 26 -0.674 -0.142 -4.457 165 HD13 LEU 26 3HD1 LEU 26 -1.670 -0.081 -3.004 166 HD21 LEU 26 3HD2 LEU 26 -3.298 1.595 -5.570 167 HD22 LEU 26 1HD2 LEU 26 -1.981 0.460 -5.870 168 HD23 LEU 26 2HD2 LEU 26 -1.776 2.170 -6.252 169 H VAL 27 H VAL 27 -3.100 4.944 -3.137 170 HA VAL 27 HA VAL 27 -0.713 6.016 -4.010 171 HB VAL 27 HB VAL 27 -3.164 7.543 -3.118 172 HG11 VAL 27 1HG1 VAL 27 -1.286 8.525 -5.209 173 HG12 VAL 27 2HG1 VAL 27 -2.339 9.431 -4.121 174 HG13 VAL 27 3HG1 VAL 27 -0.844 8.720 -3.513 175 HG21 VAL 27 3HG2 VAL 27 -3.193 5.674 -4.996 176 HG22 VAL 27 1HG2 VAL 27 -4.101 7.176 -5.165 177 HG23 VAL 27 2HG2 VAL 27 -2.543 6.992 -5.971 178 H GLN 28 H GLN 28 -2.369 6.582 -0.922 179 HA GLN 28 HA GLN 28 -0.454 8.439 0.057 180 HB2 GLN 28 1HB GLN 28 -2.692 6.868 1.275 181 HB3 GLN 28 2HB GLN 28 -1.548 7.699 2.321 182 HG2 GLN 28 1HG GLN 28 -2.134 9.812 1.438 183 HG3 GLN 28 2HG GLN 28 -3.041 9.083 0.114 184 HE21 GLN 28 1HE2 GLN 28 -2.949 9.050 3.662 185 HE22 GLN 28 2HE2 GLN 28 -4.663 9.096 3.877 186 H HIS 29 H HIS 29 -0.495 5.034 -0.210 187 HA HIS 29 HA HIS 29 1.497 4.647 1.883 188 HB2 HIS 29 1HB HIS 29 -0.065 2.897 1.878 189 HB3 HIS 29 2HB HIS 29 -0.077 2.789 0.120 190 HD1 HIS 29 HD1 HIS 29 1.246 1.138 3.011 191 HD2 HIS 29 HD2 HIS 29 2.561 1.781 -0.878 192 HE1 HIS 29 HE1 HIS 29 3.044 -0.576 2.617 193 H GLN 30 H GLN 30 1.244 4.847 -1.583 194 HA GLN 30 HA GLN 30 3.655 3.633 -2.318 195 HB2 GLN 30 1HB GLN 30 2.070 5.855 -3.601 196 HB3 GLN 30 2HB GLN 30 3.496 5.145 -4.346 197 HG2 GLN 30 1HG GLN 30 2.324 2.915 -4.156 198 HG3 GLN 30 2HG GLN 30 0.872 3.823 -3.738 199 HE21 GLN 30 1HE2 GLN 30 1.227 2.124 -5.998 200 HE22 GLN 30 2HE2 GLN 30 1.047 3.101 -7.411 201 H LYS 31 H LYS 31 2.940 7.026 -1.547 202 HA LYS 31 HA LYS 31 5.515 8.040 -1.989 203 HB2 LYS 31 1HB LYS 31 4.810 9.979 -0.771 204 HB3 LYS 31 2HB LYS 31 3.428 9.394 -1.689 205 HG2 LYS 31 1HG LYS 31 2.423 8.471 0.256 206 HG3 LYS 31 2HG LYS 31 3.883 8.741 1.211 207 HD2 LYS 31 1HD LYS 31 2.560 10.518 1.861 208 HD3 LYS 31 2HD LYS 31 3.511 11.239 0.561 209 HE2 LYS 31 1HE LYS 31 0.885 9.955 -0.056 210 HE3 LYS 31 2HE LYS 31 0.922 11.573 0.642 211 HZ1 LYS 31 3HZ LYS 31 1.100 11.019 -1.990 212 HZ2 LYS 31 1HZ LYS 31 2.728 11.213 -1.572 213 HZ3 LYS 31 2HZ LYS 31 1.623 12.457 -1.269 214 H MET 32 H MET 32 4.065 6.508 0.825 215 HA MET 32 HA MET 32 5.877 7.121 2.800 216 HB2 MET 32 1HB MET 32 4.590 4.424 2.339 217 HB3 MET 32 2HB MET 32 5.257 5.005 3.860 218 HG2 MET 32 1HG MET 32 3.046 6.466 2.465 219 HG3 MET 32 2HG MET 32 2.725 5.098 3.528 220 HE1 MET 32 3HE MET 32 3.896 6.331 6.992 221 HE2 MET 32 1HE MET 32 2.930 5.140 6.121 222 HE3 MET 32 2HE MET 32 4.669 5.238 5.844 223 H HIS 33 H HIS 33 6.417 5.330 -0.056 224 HA HIS 33 HA HIS 33 8.754 3.943 0.971 225 HB2 HIS 33 1HB HIS 33 7.394 4.021 -1.716 226 HB3 HIS 33 2HB HIS 33 8.955 3.238 -1.487 227 HD1 HIS 33 HD1 HIS 33 8.683 1.592 0.926 228 HD2 HIS 33 HD2 HIS 33 5.508 2.101 -1.704 229 HE1 HIS 33 HE1 HIS 33 7.156 -0.364 1.330 230 H THR 34 H THR 34 8.497 6.958 0.724 231 HA THR 34 HA THR 34 10.568 7.595 -1.218 232 HB THR 34 HB THR 34 8.589 9.090 -0.913 233 HG1 THR 34 HG1 THR 34 9.845 10.722 -1.472 234 HG21 THR 34 3HG2 THR 34 9.711 9.208 1.830 235 HG22 THR 34 1HG2 THR 34 8.035 9.298 1.288 236 HG23 THR 34 2HG2 THR 34 9.082 10.710 1.153 237 H VAL 35 H VAL 35 10.885 6.093 1.479 238 HA VAL 35 HA VAL 35 13.500 7.033 2.036 239 HB VAL 35 HB VAL 35 11.905 8.726 3.213 240 HG11 VAL 35 1HG1 VAL 35 11.984 6.941 5.553 241 HG12 VAL 35 2HG1 VAL 35 10.753 8.098 5.046 242 HG13 VAL 35 3HG1 VAL 35 10.825 6.502 4.299 243 HG21 VAL 35 3HG2 VAL 35 13.546 9.119 4.897 244 HG22 VAL 35 1HG2 VAL 35 14.073 7.436 4.860 245 HG23 VAL 35 2HG2 VAL 35 14.391 8.490 3.482 246 H LYS 36 H LYS 36 14.649 5.654 3.416 247 HA LYS 36 HA LYS 36 13.899 2.982 3.442 248 HB2 LYS 36 1HB LYS 36 15.771 2.614 4.953 249 HB3 LYS 36 2HB LYS 36 16.219 3.765 3.701 250 HG2 LYS 36 1HG LYS 36 15.817 5.605 5.297 251 HG3 LYS 36 2HG LYS 36 15.476 4.407 6.548 252 HD2 LYS 36 1HD LYS 36 17.735 5.041 6.846 253 HD3 LYS 36 2HD LYS 36 17.773 3.453 6.075 254 HE2 LYS 36 1HE LYS 36 18.418 4.335 4.018 255 HE3 LYS 36 2HE LYS 36 17.875 5.959 4.436 256 HZ1 LYS 36 3HZ LYS 36 19.794 5.361 6.295 257 HZ2 LYS 36 1HZ LYS 36 19.977 6.377 4.954 258 HZ3 LYS 36 2HZ LYS 36 20.420 4.748 4.848 259 H SER 37 H SER 37 13.694 5.379 6.054 260 HA SER 37 HA SER 37 12.641 5.337 8.081 261 HB2 SER 37 1HB SER 37 10.744 5.447 6.395 262 HB3 SER 37 2HB SER 37 10.538 3.712 6.641 263 HG SER 37 HG SER 37 9.546 5.663 8.096 264 H GLY 38 H GLY 38 14.583 3.503 8.139 265 HA2 GLY 38 1HA GLY 38 15.156 1.837 9.678 266 HA3 GLY 38 2HA GLY 38 13.450 1.473 9.885 267 HA PRO 39 HA PRO 39 15.011 -0.802 5.883 268 HB2 PRO 39 1HB PRO 39 17.703 -1.114 5.721 269 HB3 PRO 39 2HB PRO 39 16.851 0.260 5.008 270 HG2 PRO 39 1HG PRO 39 18.342 0.094 7.598 271 HG3 PRO 39 2HG PRO 39 18.353 1.384 6.382 272 HD2 PRO 39 1HD PRO 39 16.901 1.544 8.661 273 HD3 PRO 39 2HD PRO 39 16.372 2.287 7.138 274 H SER 40 H SER 40 16.277 -1.082 9.075 275 HA SER 40 HA SER 40 17.504 -3.437 9.339 276 HB2 SER 40 1HB SER 40 16.635 -3.632 11.522 277 HB3 SER 40 2HB SER 40 16.546 -1.905 11.176 278 HG SER 40 HG SER 40 14.455 -2.010 11.325 279 H SER 41 H SER 41 17.106 -5.597 9.205 280 HA SER 41 HA SER 41 16.190 -7.425 8.145 281 HB2 SER 41 1HB SER 41 14.220 -8.234 9.281 282 HB3 SER 41 2HB SER 41 15.231 -7.401 10.462 283 HG SER 41 HG SER 41 12.704 -6.896 9.803 284 H GLY 42 H GLY 42 16.051 -5.322 6.401 285 HA2 GLY 42 1HA GLY 42 14.961 -5.439 4.247 286 HA3 GLY 42 2HA GLY 42 13.466 -5.838 5.080 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.422 -19.535 -1.060 2 HA2 GLY 1 1HA GLY 1 -0.902 -20.350 -2.157 3 HA3 GLY 1 2HA GLY 1 -0.854 -19.485 -0.628 4 H SER 2 H SER 2 -2.680 -18.284 -0.800 5 HA SER 2 HA SER 2 -2.806 -16.400 -3.064 6 HB2 SER 2 1HB SER 2 -4.640 -18.265 -2.760 7 HB3 SER 2 2HB SER 2 -5.264 -17.164 -1.532 8 HG SER 2 HG SER 2 -5.420 -15.563 -3.122 9 H SER 3 H SER 3 -1.446 -15.037 -1.684 10 HA SER 3 HA SER 3 -1.062 -13.538 0.037 11 HB2 SER 3 1HB SER 3 -2.447 -11.587 -0.218 12 HB3 SER 3 2HB SER 3 -2.262 -12.321 -1.810 13 HG SER 3 HG SER 3 -4.472 -11.657 -1.015 14 H GLY 4 H GLY 4 -2.115 -15.868 1.144 15 HA2 GLY 4 1HA GLY 4 -2.762 -16.416 3.314 16 HA3 GLY 4 2HA GLY 4 -3.331 -14.768 3.534 17 H SER 5 H SER 5 -4.182 -17.256 1.138 18 HA SER 5 HA SER 5 -6.272 -17.804 0.332 19 HB2 SER 5 1HB SER 5 -6.156 -18.502 3.234 20 HB3 SER 5 2HB SER 5 -7.682 -18.728 2.380 21 HG SER 5 HG SER 5 -5.363 -19.688 1.165 22 H SER 6 H SER 6 -6.140 -15.053 0.616 23 HA SER 6 HA SER 6 -8.899 -14.435 1.433 24 HB2 SER 6 1HB SER 6 -6.364 -13.044 2.179 25 HB3 SER 6 2HB SER 6 -7.806 -12.064 1.915 26 HG SER 6 HG SER 6 -8.158 -12.589 3.934 27 H GLY 7 H GLY 7 -10.019 -12.995 0.143 28 HA2 GLY 7 1HA GLY 7 -9.719 -12.961 -2.535 29 HA3 GLY 7 2HA GLY 7 -10.440 -11.613 -1.669 30 H GLU 8 H GLU 8 -8.949 -11.474 -4.114 31 HA GLU 8 HA GLU 8 -6.454 -10.173 -3.285 32 HB2 GLU 8 1HB GLU 8 -5.955 -10.167 -5.748 33 HB3 GLU 8 2HB GLU 8 -6.104 -11.763 -5.028 34 HG2 GLU 8 1HG GLU 8 -8.439 -10.462 -6.367 35 HG3 GLU 8 2HG GLU 8 -7.212 -11.314 -7.302 36 H LYS 9 H LYS 9 -6.322 -8.036 -3.183 37 HA LYS 9 HA LYS 9 -8.553 -6.393 -3.931 38 HB2 LYS 9 1HB LYS 9 -5.938 -5.966 -2.564 39 HB3 LYS 9 2HB LYS 9 -6.742 -4.566 -3.263 40 HG2 LYS 9 1HG LYS 9 -7.559 -4.532 -1.125 41 HG3 LYS 9 2HG LYS 9 -8.814 -5.458 -1.952 42 HD2 LYS 9 1HD LYS 9 -8.085 -7.480 -1.047 43 HD3 LYS 9 2HD LYS 9 -6.492 -6.835 -0.647 44 HE2 LYS 9 1HE LYS 9 -7.453 -6.852 1.429 45 HE3 LYS 9 2HE LYS 9 -7.898 -5.232 0.896 46 HZ1 LYS 9 3HZ LYS 9 -10.015 -6.355 0.050 47 HZ2 LYS 9 1HZ LYS 9 -9.863 -6.114 1.717 48 HZ3 LYS 9 2HZ LYS 9 -9.588 -7.646 1.056 49 HA PRO 10 HA PRO 10 -7.315 -5.208 -7.978 50 HB2 PRO 10 1HB PRO 10 -8.422 -2.733 -8.112 51 HB3 PRO 10 2HB PRO 10 -9.379 -4.217 -8.172 52 HG2 PRO 10 1HG PRO 10 -8.863 -2.388 -5.859 53 HG3 PRO 10 2HG PRO 10 -10.379 -3.163 -6.356 54 HD2 PRO 10 1HD PRO 10 -8.848 -4.118 -4.337 55 HD3 PRO 10 2HD PRO 10 -9.814 -5.176 -5.385 56 H TYR 11 H TYR 11 -6.435 -3.306 -5.212 57 HA TYR 11 HA TYR 11 -4.383 -1.910 -6.795 58 HB2 TYR 11 1HB TYR 11 -5.420 -1.201 -4.043 59 HB3 TYR 11 2HB TYR 11 -4.299 -0.255 -5.016 60 HD1 TYR 11 HD1 TYR 11 -5.129 0.745 -7.186 61 HD2 TYR 11 HD2 TYR 11 -7.749 -0.956 -4.297 62 HE1 TYR 11 HE1 TYR 11 -7.019 1.949 -8.199 63 HE2 TYR 11 HE2 TYR 11 -9.646 0.243 -5.303 64 HH TYR 11 HH TYR 11 -10.328 1.516 -7.002 65 H SER 12 H SER 12 -2.324 -2.455 -6.526 66 HA SER 12 HA SER 12 -1.476 -3.695 -4.009 67 HB2 SER 12 1HB SER 12 -1.192 -4.866 -6.765 68 HB3 SER 12 2HB SER 12 -0.047 -5.274 -5.488 69 HG SER 12 HG SER 12 -2.463 -6.284 -5.906 70 H CYS 13 H CYS 13 0.888 -3.724 -3.753 71 HA CYS 13 HA CYS 13 2.086 -1.372 -5.047 72 HB2 CYS 13 1HB CYS 13 1.828 -1.383 -2.542 73 HB3 CYS 13 2HB CYS 13 2.974 -2.718 -2.491 74 H ALA 14 H ALA 14 3.756 -1.615 -6.379 75 HA ALA 14 HA ALA 14 4.862 -4.273 -6.783 76 HB1 ALA 14 3HB ALA 14 6.138 -2.857 -8.627 77 HB2 ALA 14 1HB ALA 14 4.475 -3.402 -8.849 78 HB3 ALA 14 2HB ALA 14 4.800 -1.746 -8.336 79 H GLU 15 H GLU 15 5.515 -2.650 -4.374 80 HA GLU 15 HA GLU 15 8.441 -2.629 -4.712 81 HB2 GLU 15 1HB GLU 15 6.707 -0.707 -3.164 82 HB3 GLU 15 2HB GLU 15 8.439 -0.848 -2.900 83 HG2 GLU 15 1HG GLU 15 7.221 -0.217 -5.573 84 HG3 GLU 15 2HG GLU 15 7.723 1.012 -4.413 85 H CYS 16 H CYS 16 5.797 -2.890 -2.349 86 HA CYS 16 HA CYS 16 7.523 -4.647 -0.732 87 HB2 CYS 16 1HB CYS 16 6.190 -4.026 1.199 88 HB3 CYS 16 2HB CYS 16 6.784 -2.571 0.405 89 H LYS 17 H LYS 17 5.008 -4.688 -2.874 90 HA LYS 17 HA LYS 17 3.527 -6.287 -3.528 91 HB2 LYS 17 1HB LYS 17 4.968 -8.015 -1.507 92 HB3 LYS 17 2HB LYS 17 3.867 -8.594 -2.751 93 HG2 LYS 17 1HG LYS 17 6.263 -7.003 -3.537 94 HG3 LYS 17 2HG LYS 17 6.441 -8.707 -3.113 95 HD2 LYS 17 1HD LYS 17 4.620 -9.197 -4.784 96 HD3 LYS 17 2HD LYS 17 4.750 -7.515 -5.304 97 HE2 LYS 17 1HE LYS 17 6.110 -8.714 -6.793 98 HE3 LYS 17 2HE LYS 17 7.231 -7.986 -5.643 99 HZ1 LYS 17 3HZ LYS 17 6.249 -10.788 -5.549 100 HZ2 LYS 17 1HZ LYS 17 7.342 -10.086 -4.465 101 HZ3 LYS 17 2HZ LYS 17 7.777 -10.300 -6.086 102 H GLU 18 H GLU 18 2.521 -4.476 -1.805 103 HA GLU 18 HA GLU 18 1.041 -5.974 0.235 104 HB2 GLU 18 1HB GLU 18 1.773 -3.116 -0.141 105 HB3 GLU 18 2HB GLU 18 0.257 -3.459 0.680 106 HG2 GLU 18 1HG GLU 18 2.721 -4.868 1.568 107 HG3 GLU 18 2HG GLU 18 2.489 -3.179 2.016 108 H THR 19 H THR 19 -1.273 -4.840 0.539 109 HA THR 19 HA THR 19 -2.567 -4.512 -2.065 110 HB THR 19 HB THR 19 -4.436 -6.046 -1.233 111 HG1 THR 19 HG1 THR 19 -2.431 -7.308 0.293 112 HG21 THR 19 3HG2 THR 19 -3.337 -6.968 -3.017 113 HG22 THR 19 1HG2 THR 19 -2.900 -8.138 -1.773 114 HG23 THR 19 2HG2 THR 19 -1.760 -6.874 -2.235 115 H PHE 20 H PHE 20 -4.392 -3.243 -2.040 116 HA PHE 20 HA PHE 20 -5.411 -2.326 0.545 117 HB2 PHE 20 1HB PHE 20 -4.693 -0.382 -1.652 118 HB3 PHE 20 2HB PHE 20 -5.220 -0.006 -0.014 119 HD1 PHE 20 HD2 PHE 20 -2.454 -1.513 -1.964 120 HD2 PHE 20 HD1 PHE 20 -3.671 0.248 1.715 121 HE1 PHE 20 HE2 PHE 20 -0.106 -1.420 -1.236 122 HE2 PHE 20 HE1 PHE 20 -1.324 0.345 2.448 123 HZ PHE 20 HZ PHE 20 0.462 -0.490 0.973 124 H SER 21 H SER 21 -7.545 -2.480 0.553 125 HA SER 21 HA SER 21 -9.106 -3.251 -1.597 126 HB2 SER 21 1HB SER 21 -11.050 -2.609 -0.222 127 HB3 SER 21 2HB SER 21 -9.842 -3.468 0.733 128 HG SER 21 HG SER 21 -9.768 -1.786 1.970 129 H ASP 22 H ASP 22 -8.485 0.004 -0.355 130 HA ASP 22 HA ASP 22 -9.908 1.119 -2.673 131 HB2 ASP 22 1HB ASP 22 -9.068 2.455 -0.091 132 HB3 ASP 22 2HB ASP 22 -9.935 3.240 -1.408 133 H ASN 23 H ASN 23 -8.948 3.067 -3.669 134 HA ASN 23 HA ASN 23 -6.195 2.580 -4.314 135 HB2 ASN 23 1HB ASN 23 -7.548 3.289 -6.124 136 HB3 ASN 23 2HB ASN 23 -8.209 4.638 -5.205 137 HD21 ASN 23 1HD2 ASN 23 -5.022 3.407 -6.173 138 HD22 ASN 23 2HD2 ASN 23 -4.392 4.941 -6.662 139 H ASN 24 H ASN 24 -7.948 5.321 -2.860 140 HA ASN 24 HA ASN 24 -6.021 7.121 -2.371 141 HB2 ASN 24 1HB ASN 24 -7.192 7.784 -0.345 142 HB3 ASN 24 2HB ASN 24 -8.362 7.322 -1.579 143 HD21 ASN 24 1HD2 ASN 24 -7.438 6.940 1.591 144 HD22 ASN 24 2HD2 ASN 24 -8.364 5.532 1.974 145 H ARG 25 H ARG 25 -6.640 4.350 -0.212 146 HA ARG 25 HA ARG 25 -4.596 4.753 1.597 147 HB2 ARG 25 1HB ARG 25 -6.021 2.323 0.603 148 HB3 ARG 25 2HB ARG 25 -4.613 2.112 1.635 149 HG2 ARG 25 1HG ARG 25 -5.667 3.465 3.367 150 HG3 ARG 25 2HG ARG 25 -7.075 3.700 2.330 151 HD2 ARG 25 1HD ARG 25 -7.680 1.962 3.785 152 HD3 ARG 25 2HD ARG 25 -7.253 1.161 2.274 153 HE ARG 25 HE ARG 25 -5.422 0.217 3.313 154 HH11 ARG 25 1HH1 ARG 25 -6.882 2.603 5.385 155 HH12 ARG 25 2HH1 ARG 25 -5.970 2.137 6.783 156 HH21 ARG 25 1HH2 ARG 25 -4.216 -0.406 5.146 157 HH22 ARG 25 2HH2 ARG 25 -4.453 0.426 6.646 158 H LEU 26 H LEU 26 -4.476 3.026 -1.499 159 HA LEU 26 HA LEU 26 -1.807 2.162 -1.308 160 HB2 LEU 26 1HB LEU 26 -3.315 1.202 -2.917 161 HB3 LEU 26 2HB LEU 26 -3.521 2.761 -3.713 162 HG LEU 26 HG LEU 26 -1.025 2.623 -4.246 163 HD11 LEU 26 1HD1 LEU 26 -1.497 0.005 -2.976 164 HD12 LEU 26 2HD1 LEU 26 -0.020 0.960 -3.103 165 HD13 LEU 26 3HD1 LEU 26 -0.561 -0.015 -4.470 166 HD21 LEU 26 3HD2 LEU 26 -1.934 2.241 -6.235 167 HD22 LEU 26 1HD2 LEU 26 -3.327 1.445 -5.500 168 HD23 LEU 26 2HD2 LEU 26 -1.878 0.513 -5.880 169 H VAL 27 H VAL 27 -3.128 4.888 -3.199 170 HA VAL 27 HA VAL 27 -0.813 6.017 -4.102 171 HB VAL 27 HB VAL 27 -3.228 7.512 -3.071 172 HG11 VAL 27 1HG1 VAL 27 -0.840 8.627 -3.674 173 HG12 VAL 27 2HG1 VAL 27 -1.615 8.636 -5.259 174 HG13 VAL 27 3HG1 VAL 27 -2.392 9.435 -3.892 175 HG21 VAL 27 3HG2 VAL 27 -4.318 6.786 -4.866 176 HG22 VAL 27 1HG2 VAL 27 -3.028 7.363 -5.921 177 HG23 VAL 27 2HG2 VAL 27 -2.950 5.737 -5.241 178 H GLN 28 H GLN 28 -2.347 6.622 -0.952 179 HA GLN 28 HA GLN 28 -0.368 8.435 -0.043 180 HB2 GLN 28 1HB GLN 28 -2.325 6.745 1.524 181 HB3 GLN 28 2HB GLN 28 -1.373 8.065 2.190 182 HG2 GLN 28 1HG GLN 28 -2.614 9.678 1.141 183 HG3 GLN 28 2HG GLN 28 -3.122 8.597 -0.156 184 HE21 GLN 28 1HE2 GLN 28 -5.054 10.050 0.815 185 HE22 GLN 28 2HE2 GLN 28 -6.086 9.159 1.876 186 H HIS 29 H HIS 29 -0.568 4.985 -0.144 187 HA HIS 29 HA HIS 29 1.523 4.579 1.815 188 HB2 HIS 29 1HB HIS 29 -0.023 2.826 1.822 189 HB3 HIS 29 2HB HIS 29 -0.114 2.770 0.064 190 HD1 HIS 29 HD1 HIS 29 1.577 1.253 2.930 191 HD2 HIS 29 HD2 HIS 29 2.216 1.548 -1.164 192 HE1 HIS 29 HE1 HIS 29 3.278 -0.517 2.386 193 H GLN 30 H GLN 30 1.227 4.915 -1.624 194 HA GLN 30 HA GLN 30 3.608 3.674 -2.437 195 HB2 GLN 30 1HB GLN 30 1.985 5.917 -3.623 196 HB3 GLN 30 2HB GLN 30 3.430 5.293 -4.406 197 HG2 GLN 30 1HG GLN 30 2.245 2.993 -4.154 198 HG3 GLN 30 2HG GLN 30 0.792 3.975 -3.975 199 HE21 GLN 30 1HE2 GLN 30 0.430 2.561 -5.984 200 HE22 GLN 30 2HE2 GLN 30 0.832 3.296 -7.494 201 H LYS 31 H LYS 31 2.938 7.022 -1.480 202 HA LYS 31 HA LYS 31 5.574 7.969 -1.926 203 HB2 LYS 31 1HB LYS 31 4.881 9.964 -0.791 204 HB3 LYS 31 2HB LYS 31 3.532 9.407 -1.772 205 HG2 LYS 31 1HG LYS 31 2.463 8.462 0.191 206 HG3 LYS 31 2HG LYS 31 3.834 8.949 1.190 207 HD2 LYS 31 1HD LYS 31 3.306 11.204 1.036 208 HD3 LYS 31 2HD LYS 31 2.352 10.983 -0.432 209 HE2 LYS 31 1HE LYS 31 0.543 10.068 0.755 210 HE3 LYS 31 2HE LYS 31 1.523 9.781 2.192 211 HZ1 LYS 31 3HZ LYS 31 0.026 11.692 2.428 212 HZ2 LYS 31 1HZ LYS 31 0.807 12.464 1.141 213 HZ3 LYS 31 2HZ LYS 31 1.652 12.139 2.570 214 H MET 32 H MET 32 3.922 6.603 0.867 215 HA MET 32 HA MET 32 5.633 7.198 2.918 216 HB2 MET 32 1HB MET 32 4.063 4.704 2.319 217 HB3 MET 32 2HB MET 32 5.031 4.842 3.780 218 HG2 MET 32 1HG MET 32 2.893 6.810 3.018 219 HG3 MET 32 2HG MET 32 2.605 5.397 4.031 220 HE1 MET 32 3HE MET 32 4.217 9.043 3.906 221 HE2 MET 32 1HE MET 32 2.508 8.762 4.243 222 HE3 MET 32 2HE MET 32 3.565 9.387 5.509 223 H HIS 33 H HIS 33 6.287 5.290 0.148 224 HA HIS 33 HA HIS 33 8.521 3.872 1.318 225 HB2 HIS 33 1HB HIS 33 7.303 4.003 -1.424 226 HB3 HIS 33 2HB HIS 33 8.892 3.280 -1.190 227 HD1 HIS 33 HD1 HIS 33 8.624 1.556 1.184 228 HD2 HIS 33 HD2 HIS 33 5.524 1.986 -1.548 229 HE1 HIS 33 HE1 HIS 33 7.181 -0.482 1.479 230 H THR 34 H THR 34 8.359 6.905 1.084 231 HA THR 34 HA THR 34 10.615 7.497 -0.656 232 HB THR 34 HB THR 34 8.687 9.053 -0.568 233 HG1 THR 34 HG1 THR 34 10.875 10.454 0.520 234 HG21 THR 34 3HG2 THR 34 7.864 9.142 1.576 235 HG22 THR 34 1HG2 THR 34 8.839 10.610 1.555 236 HG23 THR 34 2HG2 THR 34 9.467 9.145 2.308 237 H VAL 35 H VAL 35 12.456 8.742 0.156 238 HA VAL 35 HA VAL 35 13.109 8.079 2.954 239 HB VAL 35 HB VAL 35 14.345 6.710 1.223 240 HG11 VAL 35 1HG1 VAL 35 15.335 7.720 -0.486 241 HG12 VAL 35 2HG1 VAL 35 14.823 9.289 0.139 242 HG13 VAL 35 3HG1 VAL 35 16.374 8.607 0.630 243 HG21 VAL 35 3HG2 VAL 35 15.374 6.627 3.271 244 HG22 VAL 35 1HG2 VAL 35 16.650 7.372 2.308 245 HG23 VAL 35 2HG2 VAL 35 15.626 8.372 3.339 246 H LYS 36 H LYS 36 11.925 10.475 2.391 247 HA LYS 36 HA LYS 36 14.061 12.460 2.183 248 HB2 LYS 36 1HB LYS 36 11.713 12.535 1.000 249 HB3 LYS 36 2HB LYS 36 11.178 13.173 2.550 250 HG2 LYS 36 1HG LYS 36 13.515 14.371 1.114 251 HG3 LYS 36 2HG LYS 36 11.858 14.825 0.709 252 HD2 LYS 36 1HD LYS 36 11.513 15.879 2.712 253 HD3 LYS 36 2HD LYS 36 12.662 14.853 3.573 254 HE2 LYS 36 1HE LYS 36 14.449 16.032 2.138 255 HE3 LYS 36 2HE LYS 36 13.194 17.229 1.823 256 HZ1 LYS 36 3HZ LYS 36 14.649 17.796 3.716 257 HZ2 LYS 36 1HZ LYS 36 14.092 16.424 4.536 258 HZ3 LYS 36 2HZ LYS 36 13.019 17.674 4.154 259 H SER 37 H SER 37 15.109 12.638 4.084 260 HA SER 37 HA SER 37 13.789 13.874 6.282 261 HB2 SER 37 1HB SER 37 14.076 12.147 7.958 262 HB3 SER 37 2HB SER 37 13.108 11.498 6.635 263 HG SER 37 HG SER 37 14.731 10.032 7.252 264 H GLY 38 H GLY 38 15.356 14.048 8.211 265 HA2 GLY 38 1HA GLY 38 17.729 15.245 7.328 266 HA3 GLY 38 2HA GLY 38 17.377 14.801 8.992 267 HA PRO 39 HA PRO 39 20.849 12.174 7.146 268 HB2 PRO 39 1HB PRO 39 22.860 13.132 8.698 269 HB3 PRO 39 2HB PRO 39 22.435 13.837 7.134 270 HG2 PRO 39 1HG PRO 39 21.690 14.747 9.887 271 HG3 PRO 39 2HG PRO 39 22.219 15.710 8.495 272 HD2 PRO 39 1HD PRO 39 19.617 15.492 9.212 273 HD3 PRO 39 2HD PRO 39 20.129 15.683 7.523 274 H SER 40 H SER 40 20.521 10.223 8.016 275 HA SER 40 HA SER 40 20.000 8.638 9.617 276 HB2 SER 40 1HB SER 40 22.614 9.044 9.424 277 HB3 SER 40 2HB SER 40 22.423 9.570 11.096 278 HG SER 40 HG SER 40 21.118 7.403 11.096 279 H SER 41 H SER 41 18.525 10.919 10.171 280 HA SER 41 HA SER 41 18.657 11.067 13.112 281 HB2 SER 41 1HB SER 41 18.974 13.199 11.590 282 HB3 SER 41 2HB SER 41 17.214 13.137 11.500 283 HG SER 41 HG SER 41 18.322 14.367 13.302 284 H GLY 42 H GLY 42 17.381 9.117 13.199 285 HA2 GLY 42 1HA GLY 42 15.117 8.698 14.033 286 HA3 GLY 42 2HA GLY 42 14.522 9.655 12.685 Start of MODEL 8 1 H1 GLY 1 H GLY 1 6.685 -23.718 3.561 2 HA2 GLY 1 1HA GLY 1 4.242 -25.366 3.770 3 HA3 GLY 1 2HA GLY 1 4.654 -24.069 4.882 4 H SER 2 H SER 2 2.237 -24.459 3.269 5 HA SER 2 HA SER 2 2.366 -22.381 1.246 6 HB2 SER 2 1HB SER 2 0.032 -24.054 2.207 7 HB3 SER 2 2HB SER 2 0.002 -22.958 0.826 8 HG SER 2 HG SER 2 1.319 -25.420 1.123 9 H SER 3 H SER 3 2.129 -20.315 1.741 10 HA SER 3 HA SER 3 0.930 -19.545 4.275 11 HB2 SER 3 1HB SER 3 3.064 -18.516 3.513 12 HB3 SER 3 2HB SER 3 2.201 -17.803 2.149 13 HG SER 3 HG SER 3 1.084 -16.510 3.520 14 H GLY 4 H GLY 4 0.514 -18.695 0.834 15 HA2 GLY 4 1HA GLY 4 -1.751 -18.741 -0.087 16 HA3 GLY 4 2HA GLY 4 -2.313 -18.099 1.450 17 H SER 5 H SER 5 -2.840 -16.992 -1.130 18 HA SER 5 HA SER 5 -1.133 -14.776 -1.642 19 HB2 SER 5 1HB SER 5 -2.527 -15.648 -3.419 20 HB3 SER 5 2HB SER 5 -3.987 -15.331 -2.484 21 HG SER 5 HG SER 5 -2.234 -13.491 -3.709 22 H SER 6 H SER 6 -4.334 -15.042 -0.107 23 HA SER 6 HA SER 6 -5.503 -13.612 1.232 24 HB2 SER 6 1HB SER 6 -2.705 -12.995 2.214 25 HB3 SER 6 2HB SER 6 -4.194 -12.580 3.064 26 HG SER 6 HG SER 6 -4.321 -14.558 3.752 27 H GLY 7 H GLY 7 -5.051 -12.580 -1.313 28 HA2 GLY 7 1HA GLY 7 -5.200 -9.729 -0.721 29 HA3 GLY 7 2HA GLY 7 -3.938 -10.227 -1.839 30 H GLU 8 H GLU 8 -7.420 -10.124 -1.317 31 HA GLU 8 HA GLU 8 -7.870 -10.688 -4.156 32 HB2 GLU 8 1HB GLU 8 -9.786 -10.515 -1.825 33 HB3 GLU 8 2HB GLU 8 -10.278 -10.804 -3.488 34 HG2 GLU 8 1HG GLU 8 -8.413 -12.577 -1.929 35 HG3 GLU 8 2HG GLU 8 -10.144 -12.854 -2.114 36 H LYS 9 H LYS 9 -6.664 -8.256 -3.659 37 HA LYS 9 HA LYS 9 -8.843 -6.360 -4.247 38 HB2 LYS 9 1HB LYS 9 -6.322 -5.957 -2.646 39 HB3 LYS 9 2HB LYS 9 -7.225 -4.606 -3.319 40 HG2 LYS 9 1HG LYS 9 -8.139 -4.683 -1.241 41 HG3 LYS 9 2HG LYS 9 -9.236 -5.781 -2.083 42 HD2 LYS 9 1HD LYS 9 -8.739 -7.059 -0.254 43 HD3 LYS 9 2HD LYS 9 -7.441 -7.573 -1.335 44 HE2 LYS 9 1HE LYS 9 -5.978 -5.853 -0.288 45 HE3 LYS 9 2HE LYS 9 -7.270 -5.513 0.861 46 HZ1 LYS 9 3HZ LYS 9 -5.369 -7.644 0.852 47 HZ2 LYS 9 1HZ LYS 9 -6.954 -8.223 0.974 48 HZ3 LYS 9 2HZ LYS 9 -6.374 -7.104 2.102 49 HA PRO 10 HA PRO 10 -6.835 -5.645 -8.098 50 HB2 PRO 10 1HB PRO 10 -7.824 -3.178 -8.653 51 HB3 PRO 10 2HB PRO 10 -8.796 -4.650 -8.766 52 HG2 PRO 10 1HG PRO 10 -8.673 -2.627 -6.563 53 HG3 PRO 10 2HG PRO 10 -10.089 -3.425 -7.271 54 HD2 PRO 10 1HD PRO 10 -8.995 -4.213 -4.923 55 HD3 PRO 10 2HD PRO 10 -9.776 -5.349 -6.041 56 H TYR 11 H TYR 11 -6.466 -3.469 -5.408 57 HA TYR 11 HA TYR 11 -4.329 -1.970 -6.679 58 HB2 TYR 11 1HB TYR 11 -5.358 -1.847 -3.837 59 HB3 TYR 11 2HB TYR 11 -4.246 -0.707 -4.584 60 HD1 TYR 11 HD2 TYR 11 -7.727 -1.874 -4.467 61 HD2 TYR 11 HD1 TYR 11 -5.036 0.981 -6.113 62 HE1 TYR 11 HE2 TYR 11 -9.636 -0.526 -5.233 63 HE2 TYR 11 HE1 TYR 11 -6.938 2.338 -6.882 64 HH TYR 11 HH TYR 11 -9.587 2.493 -5.943 65 H SER 12 H SER 12 -2.325 -2.710 -6.740 66 HA SER 12 HA SER 12 -1.292 -4.215 -4.439 67 HB2 SER 12 1HB SER 12 -0.141 -5.779 -5.930 68 HB3 SER 12 2HB SER 12 -1.882 -5.830 -6.212 69 HG SER 12 HG SER 12 -1.448 -4.306 -7.969 70 H CYS 13 H CYS 13 0.858 -3.883 -3.951 71 HA CYS 13 HA CYS 13 2.101 -1.610 -5.328 72 HB2 CYS 13 1HB CYS 13 1.673 -1.513 -2.840 73 HB3 CYS 13 2HB CYS 13 2.875 -2.787 -2.656 74 H ALA 14 H ALA 14 3.748 -1.958 -6.652 75 HA ALA 14 HA ALA 14 4.988 -4.571 -6.781 76 HB1 ALA 14 3HB ALA 14 6.194 -3.583 -8.742 77 HB2 ALA 14 1HB ALA 14 4.435 -3.573 -8.871 78 HB3 ALA 14 2HB ALA 14 5.298 -2.090 -8.460 79 H GLU 15 H GLU 15 5.492 -2.953 -4.413 80 HA GLU 15 HA GLU 15 8.421 -2.785 -4.631 81 HB2 GLU 15 1HB GLU 15 6.507 -0.805 -3.454 82 HB3 GLU 15 2HB GLU 15 8.122 -0.958 -2.775 83 HG2 GLU 15 1HG GLU 15 7.704 -0.537 -5.709 84 HG3 GLU 15 2HG GLU 15 7.717 0.814 -4.576 85 H CYS 16 H CYS 16 5.757 -2.840 -2.259 86 HA CYS 16 HA CYS 16 7.435 -4.517 -0.523 87 HB2 CYS 16 1HB CYS 16 5.962 -3.848 1.305 88 HB3 CYS 16 2HB CYS 16 6.596 -2.427 0.482 89 H LYS 17 H LYS 17 4.988 -4.751 -2.747 90 HA LYS 17 HA LYS 17 3.589 -6.434 -3.368 91 HB2 LYS 17 1HB LYS 17 4.901 -8.080 -1.202 92 HB3 LYS 17 2HB LYS 17 4.037 -8.674 -2.614 93 HG2 LYS 17 1HG LYS 17 6.564 -7.055 -2.791 94 HG3 LYS 17 2HG LYS 17 6.538 -8.819 -2.727 95 HD2 LYS 17 1HD LYS 17 4.879 -7.377 -4.754 96 HD3 LYS 17 2HD LYS 17 6.608 -7.599 -5.031 97 HE2 LYS 17 1HE LYS 17 5.827 -9.503 -6.011 98 HE3 LYS 17 2HE LYS 17 6.022 -10.092 -4.361 99 HZ1 LYS 17 3HZ LYS 17 3.751 -9.993 -3.974 100 HZ2 LYS 17 1HZ LYS 17 3.834 -10.565 -5.564 101 HZ3 LYS 17 2HZ LYS 17 3.459 -8.943 -5.268 102 H GLU 18 H GLU 18 2.410 -4.609 -1.830 103 HA GLU 18 HA GLU 18 0.868 -6.121 0.171 104 HB2 GLU 18 1HB GLU 18 1.727 -3.280 -0.018 105 HB3 GLU 18 2HB GLU 18 0.160 -3.601 0.712 106 HG2 GLU 18 1HG GLU 18 2.215 -3.453 2.233 107 HG3 GLU 18 2HG GLU 18 1.077 -4.776 2.482 108 H THR 19 H THR 19 -1.435 -5.137 0.421 109 HA THR 19 HA THR 19 -2.590 -4.508 -2.202 110 HB THR 19 HB THR 19 -4.478 -6.091 -1.715 111 HG1 THR 19 HG1 THR 19 -2.669 -6.937 0.316 112 HG21 THR 19 3HG2 THR 19 -3.341 -7.254 -3.245 113 HG22 THR 19 1HG2 THR 19 -2.592 -8.131 -1.911 114 HG23 THR 19 2HG2 THR 19 -1.792 -6.716 -2.595 115 H PHE 20 H PHE 20 -4.387 -3.209 -2.156 116 HA PHE 20 HA PHE 20 -5.404 -2.416 0.488 117 HB2 PHE 20 1HB PHE 20 -4.790 -0.520 -1.788 118 HB3 PHE 20 2HB PHE 20 -5.457 -0.078 -0.220 119 HD1 PHE 20 HD2 PHE 20 -2.456 -1.223 -1.996 120 HD2 PHE 20 HD1 PHE 20 -4.067 0.103 1.714 121 HE1 PHE 20 HE2 PHE 20 -0.178 -0.921 -1.119 122 HE2 PHE 20 HE1 PHE 20 -1.791 0.408 2.597 123 HZ PHE 20 HZ PHE 20 0.158 -0.106 1.181 124 H SER 21 H SER 21 -7.572 -2.044 0.626 125 HA SER 21 HA SER 21 -9.184 -3.008 -1.569 126 HB2 SER 21 1HB SER 21 -9.540 -3.475 0.951 127 HB3 SER 21 2HB SER 21 -10.272 -1.872 0.998 128 HG SER 21 HG SER 21 -11.723 -3.709 0.591 129 H ASP 22 H ASP 22 -7.730 -0.305 -1.517 130 HA ASP 22 HA ASP 22 -9.723 1.130 -2.964 131 HB2 ASP 22 1HB ASP 22 -10.111 1.523 -0.372 132 HB3 ASP 22 2HB ASP 22 -8.794 2.673 -0.583 133 H ASN 23 H ASN 23 -8.841 3.498 -3.357 134 HA ASN 23 HA ASN 23 -6.078 3.140 -4.228 135 HB2 ASN 23 1HB ASN 23 -6.498 4.678 -5.890 136 HB3 ASN 23 2HB ASN 23 -8.121 4.041 -5.647 137 HD21 ASN 23 1HD2 ASN 23 -6.312 6.790 -5.902 138 HD22 ASN 23 2HD2 ASN 23 -7.407 7.914 -5.178 139 H ASN 24 H ASN 24 -8.063 5.424 -2.379 140 HA ASN 24 HA ASN 24 -6.224 7.367 -1.784 141 HB2 ASN 24 1HB ASN 24 -8.465 6.195 -0.151 142 HB3 ASN 24 2HB ASN 24 -7.480 7.517 0.467 143 HD21 ASN 24 1HD2 ASN 24 -10.356 7.198 -0.465 144 HD22 ASN 24 2HD2 ASN 24 -10.593 8.537 -1.531 145 H ARG 25 H ARG 25 -6.535 4.167 -0.358 146 HA ARG 25 HA ARG 25 -4.632 4.605 1.722 147 HB2 ARG 25 1HB ARG 25 -5.915 2.157 0.539 148 HB3 ARG 25 2HB ARG 25 -4.635 2.021 1.737 149 HG2 ARG 25 1HG ARG 25 -6.435 1.956 3.114 150 HG3 ARG 25 2HG ARG 25 -6.191 3.703 3.057 151 HD2 ARG 25 1HD ARG 25 -7.787 3.472 0.951 152 HD3 ARG 25 2HD ARG 25 -8.312 2.032 1.821 153 HE ARG 25 HE ARG 25 -8.749 4.789 2.582 154 HH11 ARG 25 1HH1 ARG 25 -8.745 1.453 3.578 155 HH12 ARG 25 2HH1 ARG 25 -9.808 1.717 4.921 156 HH21 ARG 25 1HH2 ARG 25 -10.148 5.149 4.347 157 HH22 ARG 25 2HH2 ARG 25 -10.606 3.820 5.357 158 H LEU 26 H LEU 26 -4.484 3.318 -1.552 159 HA LEU 26 HA LEU 26 -1.786 2.415 -1.371 160 HB2 LEU 26 1HB LEU 26 -3.327 1.485 -2.999 161 HB3 LEU 26 2HB LEU 26 -3.498 3.063 -3.766 162 HG LEU 26 HG LEU 26 -0.923 2.837 -4.148 163 HD11 LEU 26 1HD1 LEU 26 -1.782 0.015 -3.588 164 HD12 LEU 26 2HD1 LEU 26 -0.411 0.902 -2.922 165 HD13 LEU 26 3HD1 LEU 26 -0.396 0.395 -4.611 166 HD21 LEU 26 3HD2 LEU 26 -2.709 2.901 -5.875 167 HD22 LEU 26 1HD2 LEU 26 -2.845 1.148 -5.742 168 HD23 LEU 26 2HD2 LEU 26 -1.341 1.875 -6.307 169 H VAL 27 H VAL 27 -3.251 5.184 -3.080 170 HA VAL 27 HA VAL 27 -1.016 6.436 -4.017 171 HB VAL 27 HB VAL 27 -3.280 7.262 -4.447 172 HG11 VAL 27 1HG1 VAL 27 -3.217 8.446 -1.678 173 HG12 VAL 27 2HG1 VAL 27 -4.544 8.489 -2.840 174 HG13 VAL 27 3HG1 VAL 27 -4.076 6.962 -2.090 175 HG21 VAL 27 3HG2 VAL 27 -2.136 9.060 -5.099 176 HG22 VAL 27 1HG2 VAL 27 -2.520 9.778 -3.534 177 HG23 VAL 27 2HG2 VAL 27 -1.004 8.906 -3.756 178 H GLN 28 H GLN 28 -2.408 6.808 -0.766 179 HA GLN 28 HA GLN 28 -0.456 8.630 0.164 180 HB2 GLN 28 1HB GLN 28 -2.513 6.890 1.462 181 HB3 GLN 28 2HB GLN 28 -1.287 7.657 2.464 182 HG2 GLN 28 1HG GLN 28 -3.000 9.201 0.543 183 HG3 GLN 28 2HG GLN 28 -3.484 8.879 2.208 184 HE21 GLN 28 1HE2 GLN 28 -1.152 10.490 0.164 185 HE22 GLN 28 2HE2 GLN 28 -0.589 11.607 1.355 186 H HIS 29 H HIS 29 -0.664 5.122 0.157 187 HA HIS 29 HA HIS 29 1.524 4.647 1.892 188 HB2 HIS 29 1HB HIS 29 0.154 2.789 1.646 189 HB3 HIS 29 2HB HIS 29 0.005 3.001 -0.096 190 HD1 HIS 29 HD1 HIS 29 1.941 1.228 2.468 191 HD2 HIS 29 HD2 HIS 29 2.317 2.107 -1.575 192 HE1 HIS 29 HE1 HIS 29 3.723 -0.323 1.606 193 H GLN 30 H GLN 30 1.318 4.283 -1.654 194 HA GLN 30 HA GLN 30 3.849 3.725 -2.339 195 HB2 GLN 30 1HB GLN 30 2.113 5.815 -3.663 196 HB3 GLN 30 2HB GLN 30 3.534 5.083 -4.395 197 HG2 GLN 30 1HG GLN 30 2.406 2.862 -4.142 198 HG3 GLN 30 2HG GLN 30 0.953 3.733 -3.655 199 HE21 GLN 30 1HE2 GLN 30 0.688 2.156 -5.753 200 HE22 GLN 30 2HE2 GLN 30 0.613 3.054 -7.227 201 H LYS 31 H LYS 31 2.711 6.846 -1.195 202 HA LYS 31 HA LYS 31 5.031 8.338 -1.756 203 HB2 LYS 31 1HB LYS 31 2.953 8.717 0.406 204 HB3 LYS 31 2HB LYS 31 4.171 9.908 -0.029 205 HG2 LYS 31 1HG LYS 31 3.216 10.240 -2.169 206 HG3 LYS 31 2HG LYS 31 2.165 8.834 -1.990 207 HD2 LYS 31 1HD LYS 31 0.670 10.483 -1.484 208 HD3 LYS 31 2HD LYS 31 1.328 10.190 0.127 209 HE2 LYS 31 1HE LYS 31 2.724 12.091 0.007 210 HE3 LYS 31 2HE LYS 31 2.469 12.263 -1.729 211 HZ1 LYS 31 3HZ LYS 31 0.570 13.376 -1.416 212 HZ2 LYS 31 1HZ LYS 31 1.143 13.644 0.154 213 HZ3 LYS 31 2HZ LYS 31 0.057 12.382 -0.146 214 H MET 32 H MET 32 4.003 6.637 1.192 215 HA MET 32 HA MET 32 6.022 7.283 2.914 216 HB2 MET 32 1HB MET 32 4.420 4.793 2.514 217 HB3 MET 32 2HB MET 32 5.753 4.767 3.661 218 HG2 MET 32 1HG MET 32 3.392 6.631 3.721 219 HG3 MET 32 2HG MET 32 3.658 5.245 4.775 220 HE1 MET 32 3HE MET 32 4.208 5.337 6.742 221 HE2 MET 32 1HE MET 32 5.553 6.182 7.509 222 HE3 MET 32 2HE MET 32 3.954 6.926 7.466 223 H HIS 33 H HIS 33 6.147 5.040 0.213 224 HA HIS 33 HA HIS 33 8.630 3.850 0.813 225 HB2 HIS 33 1HB HIS 33 6.984 4.150 -1.669 226 HB3 HIS 33 2HB HIS 33 8.633 3.543 -1.799 227 HD1 HIS 33 HD1 HIS 33 8.621 1.797 0.793 228 HD2 HIS 33 HD2 HIS 33 5.646 1.800 -2.106 229 HE1 HIS 33 HE1 HIS 33 7.468 -0.427 1.011 230 H THR 34 H THR 34 7.758 6.805 -0.873 231 HA THR 34 HA THR 34 10.496 7.326 -1.673 232 HB THR 34 HB THR 34 9.617 9.419 -2.623 233 HG1 THR 34 HG1 THR 34 7.181 9.505 -2.557 234 HG21 THR 34 3HG2 THR 34 7.556 7.585 -3.595 235 HG22 THR 34 1HG2 THR 34 9.167 6.871 -3.532 236 HG23 THR 34 2HG2 THR 34 8.892 8.347 -4.458 237 H VAL 35 H VAL 35 11.937 8.309 -0.427 238 HA VAL 35 HA VAL 35 11.091 9.582 2.043 239 HB VAL 35 HB VAL 35 13.869 9.088 0.961 240 HG11 VAL 35 1HG1 VAL 35 13.101 10.876 2.921 241 HG12 VAL 35 2HG1 VAL 35 13.591 9.445 3.831 242 HG13 VAL 35 3HG1 VAL 35 14.715 10.200 2.700 243 HG21 VAL 35 3HG2 VAL 35 12.053 7.524 2.753 244 HG22 VAL 35 1HG2 VAL 35 13.038 6.971 1.399 245 HG23 VAL 35 2HG2 VAL 35 13.803 7.397 2.929 246 H LYS 36 H LYS 36 13.242 10.478 -0.661 247 HA LYS 36 HA LYS 36 13.976 12.540 -1.353 248 HB2 LYS 36 1HB LYS 36 12.167 13.989 -2.108 249 HB3 LYS 36 2HB LYS 36 11.796 12.308 -2.467 250 HG2 LYS 36 1HG LYS 36 10.242 12.188 -0.663 251 HG3 LYS 36 2HG LYS 36 10.737 13.772 -0.061 252 HD2 LYS 36 1HD LYS 36 9.684 13.511 -2.846 253 HD3 LYS 36 2HD LYS 36 8.559 13.528 -1.485 254 HE2 LYS 36 1HE LYS 36 9.123 15.694 -0.883 255 HE3 LYS 36 2HE LYS 36 10.679 15.625 -1.707 256 HZ1 LYS 36 3HZ LYS 36 8.063 15.635 -3.107 257 HZ2 LYS 36 1HZ LYS 36 9.596 15.772 -3.810 258 HZ3 LYS 36 2HZ LYS 36 8.997 17.020 -2.839 259 H SER 37 H SER 37 14.370 12.276 1.381 260 HA SER 37 HA SER 37 13.302 14.433 2.879 261 HB2 SER 37 1HB SER 37 14.815 13.802 4.592 262 HB3 SER 37 2HB SER 37 14.395 12.298 3.772 263 HG SER 37 HG SER 37 16.792 13.754 3.715 264 H GLY 38 H GLY 38 16.334 13.994 1.093 265 HA2 GLY 38 1HA GLY 38 16.711 16.430 0.052 266 HA3 GLY 38 2HA GLY 38 17.189 16.701 1.722 267 HA PRO 39 HA PRO 39 21.251 15.445 0.618 268 HB2 PRO 39 1HB PRO 39 22.187 14.774 3.077 269 HB3 PRO 39 2HB PRO 39 21.933 16.448 2.570 270 HG2 PRO 39 1HG PRO 39 20.179 14.688 4.240 271 HG3 PRO 39 2HG PRO 39 20.600 16.394 4.475 272 HD2 PRO 39 1HD PRO 39 18.243 15.609 3.397 273 HD3 PRO 39 2HD PRO 39 19.052 17.118 2.928 274 H SER 40 H SER 40 18.850 13.353 1.458 275 HA SER 40 HA SER 40 19.742 10.992 2.310 276 HB2 SER 40 1HB SER 40 17.483 11.548 1.211 277 HB3 SER 40 2HB SER 40 18.246 11.070 -0.305 278 HG SER 40 HG SER 40 18.840 9.121 1.191 279 H SER 41 H SER 41 21.141 9.414 1.768 280 HA SER 41 HA SER 41 23.190 9.949 -0.107 281 HB2 SER 41 1HB SER 41 23.979 7.659 0.435 282 HB3 SER 41 2HB SER 41 23.621 8.605 1.880 283 HG SER 41 HG SER 41 22.212 6.447 0.765 284 H GLY 42 H GLY 42 20.479 7.647 -0.131 285 HA2 GLY 42 1HA GLY 42 20.047 7.850 -2.902 286 HA3 GLY 42 2HA GLY 42 21.059 6.444 -2.599 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.113 -25.338 3.702 2 HA2 GLY 1 1HA GLY 1 1.486 -26.334 3.162 3 HA3 GLY 1 2HA GLY 1 2.208 -26.107 4.748 4 H SER 2 H SER 2 0.342 -25.235 5.644 5 HA SER 2 HA SER 2 -1.340 -23.324 4.658 6 HB2 SER 2 1HB SER 2 -1.852 -22.716 6.965 7 HB3 SER 2 2HB SER 2 -1.626 -24.461 6.844 8 HG SER 2 HG SER 2 -0.253 -24.152 8.406 9 H SER 3 H SER 3 -0.525 -21.675 3.465 10 HA SER 3 HA SER 3 1.632 -20.034 4.524 11 HB2 SER 3 1HB SER 3 1.293 -20.790 2.041 12 HB3 SER 3 2HB SER 3 0.172 -19.430 1.972 13 HG SER 3 HG SER 3 2.005 -18.179 2.869 14 H GLY 4 H GLY 4 -1.685 -19.506 3.318 15 HA2 GLY 4 1HA GLY 4 -3.255 -18.218 4.634 16 HA3 GLY 4 2HA GLY 4 -1.900 -17.265 5.223 17 H SER 5 H SER 5 -4.027 -17.865 2.506 18 HA SER 5 HA SER 5 -2.926 -15.635 1.002 19 HB2 SER 5 1HB SER 5 -5.147 -17.602 0.429 20 HB3 SER 5 2HB SER 5 -4.755 -16.258 -0.643 21 HG SER 5 HG SER 5 -3.714 -18.483 -0.921 22 H SER 6 H SER 6 -4.083 -13.769 0.445 23 HA SER 6 HA SER 6 -6.196 -13.076 2.362 24 HB2 SER 6 1HB SER 6 -4.376 -11.550 2.524 25 HB3 SER 6 2HB SER 6 -4.263 -11.387 0.772 26 HG SER 6 HG SER 6 -5.741 -9.969 2.497 27 H GLY 7 H GLY 7 -5.337 -12.495 -1.054 28 HA2 GLY 7 1HA GLY 7 -7.560 -13.335 -2.321 29 HA3 GLY 7 2HA GLY 7 -8.074 -11.781 -1.681 30 H GLU 8 H GLU 8 -8.374 -11.058 -3.850 31 HA GLU 8 HA GLU 8 -5.852 -10.211 -5.098 32 HB2 GLU 8 1HB GLU 8 -8.145 -11.659 -6.352 33 HB3 GLU 8 2HB GLU 8 -7.274 -10.469 -7.310 34 HG2 GLU 8 1HG GLU 8 -5.761 -12.586 -5.853 35 HG3 GLU 8 2HG GLU 8 -6.573 -12.970 -7.370 36 H LYS 9 H LYS 9 -6.098 -8.150 -4.221 37 HA LYS 9 HA LYS 9 -8.514 -6.640 -4.766 38 HB2 LYS 9 1HB LYS 9 -5.922 -5.808 -3.449 39 HB3 LYS 9 2HB LYS 9 -7.376 -4.824 -3.539 40 HG2 LYS 9 1HG LYS 9 -7.372 -7.530 -2.245 41 HG3 LYS 9 2HG LYS 9 -6.930 -6.065 -1.365 42 HD2 LYS 9 1HD LYS 9 -9.146 -5.103 -2.130 43 HD3 LYS 9 2HD LYS 9 -9.565 -6.734 -2.658 44 HE2 LYS 9 1HE LYS 9 -10.462 -6.340 -0.450 45 HE3 LYS 9 2HE LYS 9 -9.177 -7.544 -0.360 46 HZ1 LYS 9 3HZ LYS 9 -8.967 -5.961 1.427 47 HZ2 LYS 9 1HZ LYS 9 -8.933 -4.667 0.337 48 HZ3 LYS 9 2HZ LYS 9 -7.662 -5.783 0.365 49 HA PRO 10 HA PRO 10 -7.169 -4.780 -8.515 50 HB2 PRO 10 1HB PRO 10 -8.537 -2.438 -8.394 51 HB3 PRO 10 2HB PRO 10 -9.315 -3.989 -8.730 52 HG2 PRO 10 1HG PRO 10 -9.153 -2.470 -6.156 53 HG3 PRO 10 2HG PRO 10 -10.538 -3.317 -6.870 54 HD2 PRO 10 1HD PRO 10 -9.037 -4.390 -4.888 55 HD3 PRO 10 2HD PRO 10 -9.811 -5.380 -6.142 56 H TYR 11 H TYR 11 -6.164 -3.770 -5.531 57 HA TYR 11 HA TYR 11 -4.393 -1.738 -6.714 58 HB2 TYR 11 1HB TYR 11 -5.547 -1.644 -3.920 59 HB3 TYR 11 2HB TYR 11 -4.490 -0.445 -4.657 60 HD1 TYR 11 HD1 TYR 11 -5.426 0.531 -6.959 61 HD2 TYR 11 HD2 TYR 11 -7.809 -1.198 -3.887 62 HE1 TYR 11 HE1 TYR 11 -7.389 1.749 -7.804 63 HE2 TYR 11 HE2 TYR 11 -9.778 0.014 -4.724 64 HH TYR 11 HH TYR 11 -10.432 1.010 -7.153 65 H SER 12 H SER 12 -2.434 -2.616 -6.776 66 HA SER 12 HA SER 12 -1.454 -4.003 -4.370 67 HB2 SER 12 1HB SER 12 -0.123 -5.483 -5.882 68 HB3 SER 12 2HB SER 12 -1.866 -5.702 -6.045 69 HG SER 12 HG SER 12 -0.061 -4.436 -7.799 70 H CYS 13 H CYS 13 0.839 -3.885 -4.025 71 HA CYS 13 HA CYS 13 1.975 -1.404 -5.099 72 HB2 CYS 13 1HB CYS 13 1.721 -1.912 -2.566 73 HB3 CYS 13 2HB CYS 13 3.121 -2.956 -2.794 74 H ALA 14 H ALA 14 4.357 -1.379 -5.447 75 HA ALA 14 HA ALA 14 5.216 -3.897 -6.713 76 HB1 ALA 14 3HB ALA 14 5.209 -2.501 -8.499 77 HB2 ALA 14 1HB ALA 14 5.458 -1.059 -7.514 78 HB3 ALA 14 2HB ALA 14 6.819 -2.118 -7.888 79 H GLU 15 H GLU 15 5.934 -1.579 -4.295 80 HA GLU 15 HA GLU 15 8.737 -2.306 -4.097 81 HB2 GLU 15 1HB GLU 15 6.950 -0.335 -2.737 82 HB3 GLU 15 2HB GLU 15 8.434 -0.826 -1.933 83 HG2 GLU 15 1HG GLU 15 8.574 1.261 -3.317 84 HG3 GLU 15 2HG GLU 15 9.778 0.023 -3.671 85 H CYS 16 H CYS 16 5.838 -2.546 -2.041 86 HA CYS 16 HA CYS 16 7.193 -4.657 -0.503 87 HB2 CYS 16 1HB CYS 16 5.714 -4.157 1.322 88 HB3 CYS 16 2HB CYS 16 6.390 -2.637 0.746 89 H LYS 17 H LYS 17 4.725 -4.062 -2.755 90 HA LYS 17 HA LYS 17 3.178 -5.395 -3.759 91 HB2 LYS 17 1HB LYS 17 5.015 -7.382 -2.496 92 HB3 LYS 17 2HB LYS 17 3.490 -7.955 -3.159 93 HG2 LYS 17 1HG LYS 17 4.884 -8.222 -4.954 94 HG3 LYS 17 2HG LYS 17 4.235 -6.612 -5.270 95 HD2 LYS 17 1HD LYS 17 6.205 -5.558 -4.661 96 HD3 LYS 17 2HD LYS 17 6.752 -6.923 -3.684 97 HE2 LYS 17 1HE LYS 17 6.418 -7.240 -6.637 98 HE3 LYS 17 2HE LYS 17 7.855 -6.442 -5.999 99 HZ1 LYS 17 3HZ LYS 17 7.751 -8.627 -4.469 100 HZ2 LYS 17 1HZ LYS 17 8.633 -8.530 -5.910 101 HZ3 LYS 17 2HZ LYS 17 7.096 -9.236 -5.905 102 H GLU 18 H GLU 18 2.312 -4.104 -1.515 103 HA GLU 18 HA GLU 18 0.837 -6.065 0.077 104 HB2 GLU 18 1HB GLU 18 2.054 -4.194 1.200 105 HB3 GLU 18 2HB GLU 18 0.962 -3.065 0.411 106 HG2 GLU 18 1HG GLU 18 0.356 -3.560 2.751 107 HG3 GLU 18 2HG GLU 18 -0.916 -3.951 1.595 108 H THR 19 H THR 19 -1.431 -5.961 0.326 109 HA THR 19 HA THR 19 -2.795 -4.970 -2.061 110 HB THR 19 HB THR 19 -4.741 -6.313 -1.155 111 HG1 THR 19 HG1 THR 19 -3.600 -6.328 1.041 112 HG21 THR 19 3HG2 THR 19 -2.175 -7.337 -2.170 113 HG22 THR 19 1HG2 THR 19 -3.809 -7.560 -2.791 114 HG23 THR 19 2HG2 THR 19 -3.234 -8.549 -1.449 115 H PHE 20 H PHE 20 -4.676 -3.700 -1.965 116 HA PHE 20 HA PHE 20 -5.351 -2.492 0.612 117 HB2 PHE 20 1HB PHE 20 -4.650 -0.893 -1.860 118 HB3 PHE 20 2HB PHE 20 -5.287 -0.224 -0.362 119 HD1 PHE 20 HD2 PHE 20 -2.367 -1.678 -2.008 120 HD2 PHE 20 HD1 PHE 20 -3.902 -0.036 1.607 121 HE1 PHE 20 HE2 PHE 20 -0.076 -1.447 -1.144 122 HE2 PHE 20 HE1 PHE 20 -1.613 0.198 2.477 123 HZ PHE 20 HZ PHE 20 0.304 -0.509 1.102 124 H SER 21 H SER 21 -7.480 -2.222 0.873 125 HA SER 21 HA SER 21 -9.326 -3.260 -0.958 126 HB2 SER 21 1HB SER 21 -11.019 -2.565 0.555 127 HB3 SER 21 2HB SER 21 -9.617 -2.936 1.558 128 HG SER 21 HG SER 21 -10.939 -0.603 1.272 129 H ASP 22 H ASP 22 -8.432 0.091 -0.227 130 HA ASP 22 HA ASP 22 -9.916 0.934 -2.629 131 HB2 ASP 22 1HB ASP 22 -9.119 2.654 -0.272 132 HB3 ASP 22 2HB ASP 22 -10.141 3.127 -1.626 133 H ASN 23 H ASN 23 -8.933 3.142 -3.450 134 HA ASN 23 HA ASN 23 -6.202 2.523 -4.190 135 HB2 ASN 23 1HB ASN 23 -6.459 4.486 -5.718 136 HB3 ASN 23 2HB ASN 23 -7.675 3.236 -5.960 137 HD21 ASN 23 1HD2 ASN 23 -7.051 6.444 -4.780 138 HD22 ASN 23 2HD2 ASN 23 -8.701 6.948 -4.687 139 H ASN 24 H ASN 24 -7.934 5.231 -2.667 140 HA ASN 24 HA ASN 24 -6.026 7.068 -2.234 141 HB2 ASN 24 1HB ASN 24 -7.158 7.741 -0.233 142 HB3 ASN 24 2HB ASN 24 -8.378 7.111 -1.335 143 HD21 ASN 24 1HD2 ASN 24 -7.797 7.271 1.742 144 HD22 ASN 24 2HD2 ASN 24 -8.332 5.722 2.291 145 H ARG 25 H ARG 25 -6.470 4.204 -0.161 146 HA ARG 25 HA ARG 25 -4.350 4.651 1.579 147 HB2 ARG 25 1HB ARG 25 -5.590 2.082 0.597 148 HB3 ARG 25 2HB ARG 25 -4.365 2.129 1.857 149 HG2 ARG 25 1HG ARG 25 -6.052 3.874 2.917 150 HG3 ARG 25 2HG ARG 25 -7.205 2.968 1.935 151 HD2 ARG 25 1HD ARG 25 -5.268 1.455 3.612 152 HD3 ARG 25 2HD ARG 25 -6.625 2.249 4.410 153 HE ARG 25 HE ARG 25 -7.393 0.652 2.149 154 HH11 ARG 25 1HH1 ARG 25 -6.697 0.633 5.559 155 HH12 ARG 25 2HH1 ARG 25 -7.645 -0.782 5.878 156 HH21 ARG 25 1HH2 ARG 25 -8.644 -1.211 2.555 157 HH22 ARG 25 2HH2 ARG 25 -8.751 -1.831 4.167 158 H LEU 26 H LEU 26 -4.386 2.818 -1.467 159 HA LEU 26 HA LEU 26 -1.695 2.031 -1.425 160 HB2 LEU 26 1HB LEU 26 -3.228 0.970 -2.915 161 HB3 LEU 26 2HB LEU 26 -3.600 2.499 -3.707 162 HG LEU 26 HG LEU 26 -1.073 2.458 -4.355 163 HD11 LEU 26 1HD1 LEU 26 -1.618 -0.362 -3.517 164 HD12 LEU 26 2HD1 LEU 26 -0.210 0.648 -3.190 165 HD13 LEU 26 3HD1 LEU 26 -0.468 -0.008 -4.807 166 HD21 LEU 26 3HD2 LEU 26 -1.638 1.214 -6.398 167 HD22 LEU 26 1HD2 LEU 26 -2.897 2.366 -5.951 168 HD23 LEU 26 2HD2 LEU 26 -3.121 0.646 -5.629 169 H VAL 27 H VAL 27 -3.250 4.827 -2.978 170 HA VAL 27 HA VAL 27 -1.021 5.943 -4.192 171 HB VAL 27 HB VAL 27 -3.351 7.402 -2.937 172 HG11 VAL 27 1HG1 VAL 27 -1.884 8.514 -5.254 173 HG12 VAL 27 2HG1 VAL 27 -2.660 9.337 -3.899 174 HG13 VAL 27 3HG1 VAL 27 -1.077 8.588 -3.688 175 HG21 VAL 27 3HG2 VAL 27 -3.405 7.254 -5.798 176 HG22 VAL 27 1HG2 VAL 27 -3.262 5.633 -5.120 177 HG23 VAL 27 2HG2 VAL 27 -4.595 6.679 -4.631 178 H GLN 28 H GLN 28 -2.376 6.857 -1.017 179 HA GLN 28 HA GLN 28 -0.292 8.562 -0.270 180 HB2 GLN 28 1HB GLN 28 -2.445 7.103 1.183 181 HB3 GLN 28 2HB GLN 28 -1.135 7.794 2.132 182 HG2 GLN 28 1HG GLN 28 -1.602 9.992 1.216 183 HG3 GLN 28 2HG GLN 28 -2.879 9.315 0.207 184 HE21 GLN 28 1HE2 GLN 28 -3.497 11.358 1.836 185 HE22 GLN 28 2HE2 GLN 28 -4.461 10.815 3.163 186 H HIS 29 H HIS 29 -0.749 5.098 0.294 187 HA HIS 29 HA HIS 29 1.430 4.659 1.980 188 HB2 HIS 29 1HB HIS 29 -0.099 2.882 1.774 189 HB3 HIS 29 2HB HIS 29 -0.018 2.899 0.015 190 HD1 HIS 29 HD1 HIS 29 1.760 1.621 3.039 191 HD2 HIS 29 HD2 HIS 29 2.136 1.490 -1.097 192 HE1 HIS 29 HE1 HIS 29 3.483 -0.152 2.576 193 H GLN 30 H GLN 30 1.248 4.388 -1.566 194 HA GLN 30 HA GLN 30 3.726 3.543 -2.228 195 HB2 GLN 30 1HB GLN 30 1.956 5.608 -3.482 196 HB3 GLN 30 2HB GLN 30 3.548 5.297 -4.162 197 HG2 GLN 30 1HG GLN 30 2.910 2.884 -4.322 198 HG3 GLN 30 2HG GLN 30 1.275 3.354 -3.860 199 HE21 GLN 30 1HE2 GLN 30 0.680 2.421 -5.918 200 HE22 GLN 30 2HE2 GLN 30 0.819 3.372 -7.354 201 H LYS 31 H LYS 31 2.951 7.001 -1.801 202 HA LYS 31 HA LYS 31 5.433 8.096 -2.043 203 HB2 LYS 31 1HB LYS 31 3.369 8.878 0.025 204 HB3 LYS 31 2HB LYS 31 4.682 9.895 -0.554 205 HG2 LYS 31 1HG LYS 31 3.715 10.106 -2.690 206 HG3 LYS 31 2HG LYS 31 2.578 8.790 -2.389 207 HD2 LYS 31 1HD LYS 31 1.347 10.104 -0.831 208 HD3 LYS 31 2HD LYS 31 2.587 11.360 -0.817 209 HE2 LYS 31 1HE LYS 31 2.111 11.780 -3.216 210 HE3 LYS 31 2HE LYS 31 0.794 10.611 -3.125 211 HZ1 LYS 31 3HZ LYS 31 0.987 13.285 -1.919 212 HZ2 LYS 31 1HZ LYS 31 0.020 12.112 -1.176 213 HZ3 LYS 31 2HZ LYS 31 -0.295 12.582 -2.770 214 H MET 32 H MET 32 4.094 6.506 0.818 215 HA MET 32 HA MET 32 5.932 7.071 2.743 216 HB2 MET 32 1HB MET 32 3.883 5.423 2.708 217 HB3 MET 32 2HB MET 32 5.119 4.213 2.390 218 HG2 MET 32 1HG MET 32 6.304 5.110 4.451 219 HG3 MET 32 2HG MET 32 4.803 5.963 4.803 220 HE1 MET 32 3HE MET 32 5.067 4.959 6.975 221 HE2 MET 32 1HE MET 32 4.208 3.487 7.429 222 HE3 MET 32 2HE MET 32 5.924 3.418 7.025 223 H HIS 33 H HIS 33 6.283 4.697 0.138 224 HA HIS 33 HA HIS 33 8.783 3.679 0.963 225 HB2 HIS 33 1HB HIS 33 7.395 3.741 -1.715 226 HB3 HIS 33 2HB HIS 33 8.958 2.963 -1.478 227 HD1 HIS 33 HD1 HIS 33 8.652 1.353 0.977 228 HD2 HIS 33 HD2 HIS 33 5.545 1.784 -1.747 229 HE1 HIS 33 HE1 HIS 33 7.136 -0.615 1.369 230 H THR 34 H THR 34 7.864 6.392 -1.079 231 HA THR 34 HA THR 34 10.588 6.964 -1.846 232 HB THR 34 HB THR 34 9.664 8.946 -2.956 233 HG1 THR 34 HG1 THR 34 7.772 9.708 -2.393 234 HG21 THR 34 3HG2 THR 34 7.944 6.515 -3.453 235 HG22 THR 34 1HG2 THR 34 9.576 6.737 -4.079 236 HG23 THR 34 2HG2 THR 34 8.281 7.818 -4.591 237 H VAL 35 H VAL 35 11.958 7.821 -0.432 238 HA VAL 35 HA VAL 35 10.953 9.884 1.420 239 HB VAL 35 HB VAL 35 13.196 7.912 1.876 240 HG11 VAL 35 1HG1 VAL 35 14.017 9.591 3.134 241 HG12 VAL 35 2HG1 VAL 35 12.471 10.440 3.198 242 HG13 VAL 35 3HG1 VAL 35 12.775 9.077 4.276 243 HG21 VAL 35 3HG2 VAL 35 10.377 7.816 2.405 244 HG22 VAL 35 1HG2 VAL 35 11.609 6.584 2.683 245 HG23 VAL 35 2HG2 VAL 35 11.278 7.796 3.922 246 H LYS 36 H LYS 36 12.192 11.720 1.737 247 HA LYS 36 HA LYS 36 14.456 12.065 -0.120 248 HB2 LYS 36 1HB LYS 36 12.365 13.335 -0.719 249 HB3 LYS 36 2HB LYS 36 12.553 14.232 0.782 250 HG2 LYS 36 1HG LYS 36 14.873 14.851 -0.080 251 HG3 LYS 36 2HG LYS 36 14.312 14.259 -1.645 252 HD2 LYS 36 1HD LYS 36 12.459 15.848 -1.590 253 HD3 LYS 36 2HD LYS 36 12.994 16.428 -0.010 254 HE2 LYS 36 1HE LYS 36 13.746 17.952 -1.721 255 HE3 LYS 36 2HE LYS 36 15.136 17.117 -1.029 256 HZ1 LYS 36 3HZ LYS 36 15.631 16.822 -3.193 257 HZ2 LYS 36 1HZ LYS 36 14.027 16.963 -3.713 258 HZ3 LYS 36 2HZ LYS 36 14.578 15.505 -3.056 259 H SER 37 H SER 37 16.200 11.865 1.167 260 HA SER 37 HA SER 37 16.327 13.605 3.542 261 HB2 SER 37 1HB SER 37 16.256 10.999 3.853 262 HB3 SER 37 2HB SER 37 17.950 11.090 3.370 263 HG SER 37 HG SER 37 16.957 12.789 5.380 264 H GLY 38 H GLY 38 18.730 13.912 4.215 265 HA2 GLY 38 1HA GLY 38 20.018 15.305 2.125 266 HA3 GLY 38 2HA GLY 38 20.715 14.943 3.697 267 HA PRO 39 HA PRO 39 23.347 11.845 2.057 268 HB2 PRO 39 1HB PRO 39 22.928 9.630 3.570 269 HB3 PRO 39 2HB PRO 39 23.751 11.070 4.182 270 HG2 PRO 39 1HG PRO 39 20.907 10.214 4.552 271 HG3 PRO 39 2HG PRO 39 22.035 10.892 5.740 272 HD2 PRO 39 1HD PRO 39 20.124 12.381 4.531 273 HD3 PRO 39 2HD PRO 39 21.693 13.054 5.018 274 H SER 40 H SER 40 23.362 10.558 0.313 275 HA SER 40 HA SER 40 20.867 9.166 -0.390 276 HB2 SER 40 1HB SER 40 23.128 10.041 -2.205 277 HB3 SER 40 2HB SER 40 21.613 9.298 -2.718 278 HG SER 40 HG SER 40 20.575 11.157 -1.682 279 H SER 41 H SER 41 24.402 8.819 -0.676 280 HA SER 41 HA SER 41 24.030 5.898 -0.685 281 HB2 SER 41 1HB SER 41 25.139 6.852 -2.698 282 HB3 SER 41 2HB SER 41 26.422 7.477 -1.662 283 HG SER 41 HG SER 41 25.759 4.746 -1.587 284 H GLY 42 H GLY 42 26.224 8.443 0.502 285 HA2 GLY 42 1HA GLY 42 27.010 6.618 2.684 286 HA3 GLY 42 2HA GLY 42 27.997 7.941 2.081 Start of MODEL 10 1 H1 GLY 1 H GLY 1 5.124 -9.731 -14.167 2 HA2 GLY 1 1HA GLY 1 3.029 -10.820 -14.212 3 HA3 GLY 1 2HA GLY 1 4.157 -12.149 -13.997 4 H SER 2 H SER 2 3.992 -13.384 -12.224 5 HA SER 2 HA SER 2 2.127 -12.480 -10.129 6 HB2 SER 2 1HB SER 2 1.697 -14.892 -9.705 7 HB3 SER 2 2HB SER 2 1.253 -14.402 -11.340 8 HG SER 2 HG SER 2 3.783 -15.512 -10.746 9 H SER 3 H SER 3 3.463 -11.618 -8.622 10 HA SER 3 HA SER 3 5.766 -13.208 -7.732 11 HB2 SER 3 1HB SER 3 5.081 -10.315 -7.158 12 HB3 SER 3 2HB SER 3 6.549 -11.147 -6.645 13 HG SER 3 HG SER 3 5.831 -11.049 -9.366 14 H GLY 4 H GLY 4 3.288 -11.107 -6.242 15 HA2 GLY 4 1HA GLY 4 3.541 -11.936 -3.631 16 HA3 GLY 4 2HA GLY 4 2.028 -11.394 -4.341 17 H SER 5 H SER 5 2.339 -13.384 -2.305 18 HA SER 5 HA SER 5 1.938 -15.952 -3.575 19 HB2 SER 5 1HB SER 5 1.535 -16.718 -1.200 20 HB3 SER 5 2HB SER 5 3.115 -15.988 -1.487 21 HG SER 5 HG SER 5 1.806 -15.287 0.432 22 H SER 6 H SER 6 -0.020 -13.899 -1.410 23 HA SER 6 HA SER 6 -2.421 -14.888 -2.793 24 HB2 SER 6 1HB SER 6 -2.029 -14.577 0.190 25 HB3 SER 6 2HB SER 6 -3.599 -14.824 -0.573 26 HG SER 6 HG SER 6 -1.404 -16.584 -0.916 27 H GLY 7 H GLY 7 -4.330 -13.467 -2.473 28 HA2 GLY 7 1HA GLY 7 -4.863 -11.147 -1.518 29 HA3 GLY 7 2HA GLY 7 -3.456 -10.653 -2.449 30 H GLU 8 H GLU 8 -6.657 -10.490 -2.487 31 HA GLU 8 HA GLU 8 -6.783 -10.602 -5.427 32 HB2 GLU 8 1HB GLU 8 -8.799 -11.541 -3.403 33 HB3 GLU 8 2HB GLU 8 -9.287 -11.094 -5.032 34 HG2 GLU 8 1HG GLU 8 -8.965 -13.491 -4.836 35 HG3 GLU 8 2HG GLU 8 -7.804 -12.784 -5.958 36 H LYS 9 H LYS 9 -6.012 -8.292 -4.606 37 HA LYS 9 HA LYS 9 -8.426 -6.610 -4.424 38 HB2 LYS 9 1HB LYS 9 -5.775 -6.413 -3.080 39 HB3 LYS 9 2HB LYS 9 -6.575 -4.914 -3.536 40 HG2 LYS 9 1HG LYS 9 -7.362 -5.186 -1.411 41 HG3 LYS 9 2HG LYS 9 -8.629 -6.003 -2.328 42 HD2 LYS 9 1HD LYS 9 -7.150 -8.116 -1.960 43 HD3 LYS 9 2HD LYS 9 -6.450 -7.171 -0.645 44 HE2 LYS 9 1HE LYS 9 -8.401 -7.162 0.567 45 HE3 LYS 9 2HE LYS 9 -9.415 -7.355 -0.862 46 HZ1 LYS 9 3HZ LYS 9 -9.016 -9.324 0.799 47 HZ2 LYS 9 1HZ LYS 9 -7.623 -9.553 -0.134 48 HZ3 LYS 9 2HZ LYS 9 -9.148 -9.602 -0.865 49 HA PRO 10 HA PRO 10 -7.289 -4.882 -8.309 50 HB2 PRO 10 1HB PRO 10 -8.569 -2.496 -8.117 51 HB3 PRO 10 2HB PRO 10 -9.418 -4.023 -8.383 52 HG2 PRO 10 1HG PRO 10 -9.029 -2.489 -5.841 53 HG3 PRO 10 2HG PRO 10 -10.486 -3.296 -6.449 54 HD2 PRO 10 1HD PRO 10 -8.886 -4.402 -4.565 55 HD3 PRO 10 2HD PRO 10 -9.777 -5.376 -5.753 56 H TYR 11 H TYR 11 -6.140 -3.778 -5.370 57 HA TYR 11 HA TYR 11 -4.332 -1.880 -6.713 58 HB2 TYR 11 1HB TYR 11 -5.401 -1.635 -3.894 59 HB3 TYR 11 2HB TYR 11 -4.286 -0.523 -4.680 60 HD1 TYR 11 HD1 TYR 11 -5.119 0.705 -6.770 61 HD2 TYR 11 HD2 TYR 11 -7.712 -1.321 -4.072 62 HE1 TYR 11 HE1 TYR 11 -7.019 2.013 -7.624 63 HE2 TYR 11 HE2 TYR 11 -9.619 -0.019 -4.920 64 HH TYR 11 HH TYR 11 -9.318 2.743 -6.689 65 H SER 12 H SER 12 -2.324 -2.615 -6.706 66 HA SER 12 HA SER 12 -1.320 -3.997 -4.319 67 HB2 SER 12 1HB SER 12 -0.074 -5.573 -5.836 68 HB3 SER 12 2HB SER 12 -1.824 -5.790 -5.840 69 HG SER 12 HG SER 12 -1.945 -4.875 -7.818 70 H CYS 13 H CYS 13 0.978 -3.910 -4.056 71 HA CYS 13 HA CYS 13 2.194 -1.641 -5.487 72 HB2 CYS 13 1HB CYS 13 1.890 -1.212 -3.103 73 HB3 CYS 13 2HB CYS 13 2.757 -2.693 -2.707 74 H ALA 14 H ALA 14 3.953 -1.991 -6.678 75 HA ALA 14 HA ALA 14 5.071 -4.669 -6.777 76 HB1 ALA 14 3HB ALA 14 4.538 -2.848 -8.717 77 HB2 ALA 14 1HB ALA 14 6.269 -2.603 -8.482 78 HB3 ALA 14 2HB ALA 14 5.653 -4.203 -8.895 79 H GLU 15 H GLU 15 5.566 -2.768 -4.497 80 HA GLU 15 HA GLU 15 8.510 -2.759 -4.643 81 HB2 GLU 15 1HB GLU 15 7.104 -0.521 -4.441 82 HB3 GLU 15 2HB GLU 15 7.067 -0.969 -2.741 83 HG2 GLU 15 1HG GLU 15 9.562 -1.124 -2.817 84 HG3 GLU 15 2HG GLU 15 9.488 -0.440 -4.441 85 H CYS 16 H CYS 16 5.767 -2.947 -2.380 86 HA CYS 16 HA CYS 16 7.417 -4.688 -0.668 87 HB2 CYS 16 1HB CYS 16 5.975 -3.964 1.209 88 HB3 CYS 16 2HB CYS 16 6.839 -2.620 0.471 89 H LYS 17 H LYS 17 4.942 -4.716 -2.841 90 HA LYS 17 HA LYS 17 3.359 -6.239 -3.429 91 HB2 LYS 17 1HB LYS 17 4.881 -7.942 -1.449 92 HB3 LYS 17 2HB LYS 17 3.603 -8.553 -2.493 93 HG2 LYS 17 1HG LYS 17 5.599 -9.109 -3.577 94 HG3 LYS 17 2HG LYS 17 4.991 -7.694 -4.439 95 HD2 LYS 17 1HD LYS 17 6.539 -6.259 -3.309 96 HD3 LYS 17 2HD LYS 17 7.036 -7.562 -2.227 97 HE2 LYS 17 1HE LYS 17 7.820 -8.804 -4.276 98 HE3 LYS 17 2HE LYS 17 7.543 -7.320 -5.186 99 HZ1 LYS 17 3HZ LYS 17 9.426 -6.447 -4.428 100 HZ2 LYS 17 1HZ LYS 17 9.831 -7.991 -3.866 101 HZ3 LYS 17 2HZ LYS 17 9.096 -6.878 -2.825 102 H GLU 18 H GLU 18 2.452 -4.368 -1.714 103 HA GLU 18 HA GLU 18 0.916 -5.804 0.335 104 HB2 GLU 18 1HB GLU 18 2.292 -3.732 0.907 105 HB3 GLU 18 2HB GLU 18 1.096 -2.814 0.004 106 HG2 GLU 18 1HG GLU 18 0.556 -2.698 2.324 107 HG3 GLU 18 2HG GLU 18 -0.654 -3.693 1.517 108 H THR 19 H THR 19 -1.331 -5.604 0.469 109 HA THR 19 HA THR 19 -2.616 -4.803 -2.054 110 HB THR 19 HB THR 19 -4.494 -6.274 -1.359 111 HG1 THR 19 HG1 THR 19 -4.383 -7.419 0.489 112 HG21 THR 19 3HG2 THR 19 -1.766 -7.559 -1.496 113 HG22 THR 19 1HG2 THR 19 -2.828 -7.180 -2.851 114 HG23 THR 19 2HG2 THR 19 -3.289 -8.425 -1.690 115 H PHE 20 H PHE 20 -4.529 -3.596 -2.027 116 HA PHE 20 HA PHE 20 -5.374 -2.468 0.538 117 HB2 PHE 20 1HB PHE 20 -4.713 -0.774 -1.880 118 HB3 PHE 20 2HB PHE 20 -5.334 -0.190 -0.339 119 HD1 PHE 20 HD1 PHE 20 -3.909 -0.087 1.619 120 HD2 PHE 20 HD2 PHE 20 -2.411 -1.437 -2.129 121 HE1 PHE 20 HE1 PHE 20 -1.607 0.180 2.446 122 HE2 PHE 20 HE2 PHE 20 -0.107 -1.173 -1.308 123 HZ PHE 20 HZ PHE 20 0.298 -0.364 0.982 124 H SER 21 H SER 21 -7.524 -2.098 0.689 125 HA SER 21 HA SER 21 -9.232 -3.210 -1.299 126 HB2 SER 21 1HB SER 21 -11.069 -2.465 0.192 127 HB3 SER 21 2HB SER 21 -9.818 -3.349 1.064 128 HG SER 21 HG SER 21 -10.010 -1.624 2.306 129 H ASP 22 H ASP 22 -8.336 0.058 -0.368 130 HA ASP 22 HA ASP 22 -9.912 1.076 -2.642 131 HB2 ASP 22 1HB ASP 22 -10.409 1.793 -0.140 132 HB3 ASP 22 2HB ASP 22 -9.060 2.889 -0.427 133 H ASN 23 H ASN 23 -9.000 3.172 -3.533 134 HA ASN 23 HA ASN 23 -6.262 2.710 -4.261 135 HB2 ASN 23 1HB ASN 23 -7.510 3.523 -6.049 136 HB3 ASN 23 2HB ASN 23 -8.365 4.694 -5.050 137 HD21 ASN 23 1HD2 ASN 23 -5.409 3.984 -6.744 138 HD22 ASN 23 2HD2 ASN 23 -4.796 5.599 -6.758 139 H ASN 24 H ASN 24 -7.991 5.337 -2.592 140 HA ASN 24 HA ASN 24 -6.127 7.164 -2.061 141 HB2 ASN 24 1HB ASN 24 -8.206 5.965 -0.269 142 HB3 ASN 24 2HB ASN 24 -7.095 7.165 0.385 143 HD21 ASN 24 1HD2 ASN 24 -10.021 6.733 -1.042 144 HD22 ASN 24 2HD2 ASN 24 -10.275 8.324 -1.667 145 H ARG 25 H ARG 25 -6.463 4.253 -0.021 146 HA ARG 25 HA ARG 25 -4.275 4.618 1.608 147 HB2 ARG 25 1HB ARG 25 -5.761 2.232 0.632 148 HB3 ARG 25 2HB ARG 25 -4.214 1.955 1.420 149 HG2 ARG 25 1HG ARG 25 -5.584 1.833 3.225 150 HG3 ARG 25 2HG ARG 25 -5.251 3.566 3.237 151 HD2 ARG 25 1HD ARG 25 -7.560 2.590 1.639 152 HD3 ARG 25 2HD ARG 25 -7.716 2.611 3.395 153 HE ARG 25 HE ARG 25 -7.582 4.895 1.627 154 HH11 ARG 25 1HH1 ARG 25 -7.288 3.721 4.892 155 HH12 ARG 25 2HH1 ARG 25 -7.578 5.269 5.613 156 HH21 ARG 25 1HH2 ARG 25 -7.964 6.938 2.565 157 HH22 ARG 25 2HH2 ARG 25 -7.963 7.098 4.289 158 H LEU 26 H LEU 26 -4.362 2.913 -1.515 159 HA LEU 26 HA LEU 26 -1.650 2.229 -1.612 160 HB2 LEU 26 1HB LEU 26 -3.321 1.249 -3.085 161 HB3 LEU 26 2HB LEU 26 -3.558 2.808 -3.873 162 HG LEU 26 HG LEU 26 -1.082 2.630 -4.529 163 HD11 LEU 26 1HD1 LEU 26 0.017 0.898 -3.671 164 HD12 LEU 26 2HD1 LEU 26 -0.900 -0.121 -4.780 165 HD13 LEU 26 3HD1 LEU 26 -1.474 0.124 -3.131 166 HD21 LEU 26 3HD2 LEU 26 -3.023 2.385 -6.057 167 HD22 LEU 26 1HD2 LEU 26 -3.014 0.652 -5.731 168 HD23 LEU 26 2HD2 LEU 26 -1.631 1.407 -6.524 169 H VAL 27 H VAL 27 -3.354 5.081 -2.856 170 HA VAL 27 HA VAL 27 -1.229 6.327 -4.146 171 HB VAL 27 HB VAL 27 -3.512 7.632 -2.657 172 HG11 VAL 27 1HG1 VAL 27 -3.069 9.610 -3.919 173 HG12 VAL 27 2HG1 VAL 27 -1.560 9.122 -3.144 174 HG13 VAL 27 3HG1 VAL 27 -1.818 8.798 -4.859 175 HG21 VAL 27 3HG2 VAL 27 -3.218 6.490 -5.400 176 HG22 VAL 27 1HG2 VAL 27 -4.562 6.360 -4.265 177 HG23 VAL 27 2HG2 VAL 27 -4.289 7.867 -5.141 178 H GLN 28 H GLN 28 -2.393 6.953 -0.829 179 HA GLN 28 HA GLN 28 -0.278 8.656 -0.109 180 HB2 GLN 28 1HB GLN 28 -2.212 7.004 1.499 181 HB3 GLN 28 2HB GLN 28 -0.977 7.990 2.272 182 HG2 GLN 28 1HG GLN 28 -2.713 9.454 2.290 183 HG3 GLN 28 2HG GLN 28 -1.989 9.869 0.737 184 HE21 GLN 28 1HE2 GLN 28 -3.141 9.600 -1.087 185 HE22 GLN 28 2HE2 GLN 28 -4.749 8.971 -1.145 186 H HIS 29 H HIS 29 -0.713 5.166 0.274 187 HA HIS 29 HA HIS 29 1.508 4.604 1.845 188 HB2 HIS 29 1HB HIS 29 0.083 2.793 1.557 189 HB3 HIS 29 2HB HIS 29 -0.042 3.037 -0.183 190 HD1 HIS 29 HD1 HIS 29 2.284 1.621 2.422 191 HD2 HIS 29 HD2 HIS 29 1.786 1.642 -1.703 192 HE1 HIS 29 HE1 HIS 29 3.910 -0.083 1.540 193 H GLN 30 H GLN 30 1.283 4.513 -1.713 194 HA GLN 30 HA GLN 30 3.786 3.814 -2.436 195 HB2 GLN 30 1HB GLN 30 1.991 5.935 -3.592 196 HB3 GLN 30 2HB GLN 30 3.533 5.530 -4.335 197 HG2 GLN 30 1HG GLN 30 2.828 3.280 -4.729 198 HG3 GLN 30 2HG GLN 30 1.348 3.534 -3.806 199 HE21 GLN 30 1HE2 GLN 30 1.760 2.700 -6.593 200 HE22 GLN 30 2HE2 GLN 30 0.875 3.831 -7.554 201 H LYS 31 H LYS 31 2.808 7.057 -1.383 202 HA LYS 31 HA LYS 31 5.313 8.292 -1.729 203 HB2 LYS 31 1HB LYS 31 2.998 8.939 0.098 204 HB3 LYS 31 2HB LYS 31 4.416 9.967 -0.062 205 HG2 LYS 31 1HG LYS 31 3.941 10.250 -2.444 206 HG3 LYS 31 2HG LYS 31 2.513 9.227 -2.276 207 HD2 LYS 31 1HD LYS 31 2.855 11.660 -0.562 208 HD3 LYS 31 2HD LYS 31 2.237 11.803 -2.209 209 HE2 LYS 31 1HE LYS 31 0.490 10.125 -1.624 210 HE3 LYS 31 2HE LYS 31 1.061 10.178 0.042 211 HZ1 LYS 31 3HZ LYS 31 0.325 12.344 0.310 212 HZ2 LYS 31 1HZ LYS 31 -0.908 11.648 -0.617 213 HZ3 LYS 31 2HZ LYS 31 0.243 12.645 -1.353 214 H MET 32 H MET 32 3.875 6.587 1.010 215 HA MET 32 HA MET 32 5.610 7.161 3.038 216 HB2 MET 32 1HB MET 32 3.583 5.472 2.850 217 HB3 MET 32 2HB MET 32 4.872 4.296 2.637 218 HG2 MET 32 1HG MET 32 5.870 5.295 4.774 219 HG3 MET 32 2HG MET 32 4.284 6.025 5.006 220 HE1 MET 32 3HE MET 32 4.491 4.692 7.399 221 HE2 MET 32 1HE MET 32 2.868 4.945 6.756 222 HE3 MET 32 2HE MET 32 3.306 3.386 7.454 223 H HIS 33 H HIS 33 6.191 5.143 0.240 224 HA HIS 33 HA HIS 33 8.557 3.895 1.151 225 HB2 HIS 33 1HB HIS 33 7.326 4.365 -1.540 226 HB3 HIS 33 2HB HIS 33 8.971 3.745 -1.434 227 HD1 HIS 33 HD1 HIS 33 9.010 1.580 0.449 228 HD2 HIS 33 HD2 HIS 33 5.583 2.330 -1.777 229 HE1 HIS 33 HE1 HIS 33 7.706 -0.570 0.477 230 H THR 34 H THR 34 7.917 6.961 -0.432 231 HA THR 34 HA THR 34 10.744 7.536 -0.761 232 HB THR 34 HB THR 34 9.949 9.729 -1.649 233 HG1 THR 34 HG1 THR 34 7.589 9.733 -2.087 234 HG21 THR 34 3HG2 THR 34 10.042 7.359 -2.902 235 HG22 THR 34 1HG2 THR 34 9.571 8.853 -3.712 236 HG23 THR 34 2HG2 THR 34 8.335 7.737 -3.131 237 H VAL 35 H VAL 35 11.509 7.610 1.364 238 HA VAL 35 HA VAL 35 10.416 8.921 3.532 239 HB VAL 35 HB VAL 35 13.345 8.666 2.837 240 HG11 VAL 35 1HG1 VAL 35 11.951 9.841 5.131 241 HG12 VAL 35 2HG1 VAL 35 13.196 8.664 5.555 242 HG13 VAL 35 3HG1 VAL 35 13.607 10.068 4.569 243 HG21 VAL 35 3HG2 VAL 35 11.427 6.710 3.469 244 HG22 VAL 35 1HG2 VAL 35 13.177 6.516 3.368 245 HG23 VAL 35 2HG2 VAL 35 12.422 6.916 4.911 246 H LYS 36 H LYS 36 10.396 10.981 4.305 247 HA LYS 36 HA LYS 36 11.915 13.083 3.043 248 HB2 LYS 36 1HB LYS 36 10.051 14.402 2.283 249 HB3 LYS 36 2HB LYS 36 9.948 12.812 1.538 250 HG2 LYS 36 1HG LYS 36 8.148 12.169 2.884 251 HG3 LYS 36 2HG LYS 36 8.435 13.472 4.040 252 HD2 LYS 36 1HD LYS 36 6.671 14.363 2.895 253 HD3 LYS 36 2HD LYS 36 7.997 14.973 1.903 254 HE2 LYS 36 1HE LYS 36 6.457 12.438 1.352 255 HE3 LYS 36 2HE LYS 36 6.138 13.992 0.584 256 HZ1 LYS 36 3HZ LYS 36 7.537 13.151 -0.952 257 HZ2 LYS 36 1HZ LYS 36 8.311 12.111 0.135 258 HZ3 LYS 36 2HZ LYS 36 8.727 13.750 0.090 259 H SER 37 H SER 37 12.133 14.876 4.335 260 HA SER 37 HA SER 37 11.434 14.545 7.094 261 HB2 SER 37 1HB SER 37 12.778 16.826 5.627 262 HB3 SER 37 2HB SER 37 12.589 16.745 7.379 263 HG SER 37 HG SER 37 13.841 14.848 7.362 264 H GLY 38 H GLY 38 9.745 15.353 8.171 265 HA2 GLY 38 1HA GLY 38 7.454 16.299 7.053 266 HA3 GLY 38 2HA GLY 38 7.940 16.692 8.696 267 HA PRO 39 HA PRO 39 8.127 20.396 5.613 268 HB2 PRO 39 1HB PRO 39 5.578 21.323 5.725 269 HB3 PRO 39 2HB PRO 39 6.129 20.175 4.500 270 HG2 PRO 39 1HG PRO 39 4.623 19.662 7.035 271 HG3 PRO 39 2HG PRO 39 4.369 18.969 5.423 272 HD2 PRO 39 1HD PRO 39 5.669 17.640 7.391 273 HD3 PRO 39 2HD PRO 39 6.073 17.438 5.675 274 H SER 40 H SER 40 7.279 19.639 8.766 275 HA SER 40 HA SER 40 6.395 21.770 10.103 276 HB2 SER 40 1HB SER 40 7.345 19.679 11.126 277 HB3 SER 40 2HB SER 40 8.952 20.378 10.925 278 HG SER 40 HG SER 40 7.821 22.247 12.127 279 H SER 41 H SER 41 6.879 23.852 10.415 280 HA SER 41 HA SER 41 9.565 24.857 10.163 281 HB2 SER 41 1HB SER 41 8.838 24.754 7.794 282 HB3 SER 41 2HB SER 41 7.470 25.795 8.188 283 HG SER 41 HG SER 41 9.061 27.360 8.895 284 H GLY 42 H GLY 42 9.851 26.711 11.303 285 HA2 GLY 42 1HA GLY 42 8.308 27.514 13.335 286 HA3 GLY 42 2HA GLY 42 9.288 28.663 12.435 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.036 -28.592 2.892 2 HA2 GLY 1 1HA GLY 1 2.296 -26.540 4.240 3 HA3 GLY 1 2HA GLY 1 3.739 -26.834 3.280 4 H SER 2 H SER 2 0.524 -25.358 2.809 5 HA SER 2 HA SER 2 1.573 -22.786 2.262 6 HB2 SER 2 1HB SER 2 2.292 -23.922 0.176 7 HB3 SER 2 2HB SER 2 0.608 -24.327 -0.159 8 HG SER 2 HG SER 2 1.647 -22.290 -1.083 9 H SER 3 H SER 3 -0.019 -21.239 2.208 10 HA SER 3 HA SER 3 -2.740 -22.229 2.687 11 HB2 SER 3 1HB SER 3 -1.378 -20.621 4.281 12 HB3 SER 3 2HB SER 3 -1.955 -19.382 3.167 13 HG SER 3 HG SER 3 -3.623 -21.259 4.489 14 H GLY 4 H GLY 4 -0.936 -19.816 0.820 15 HA2 GLY 4 1HA GLY 4 -1.411 -19.179 -1.389 16 HA3 GLY 4 2HA GLY 4 -2.994 -19.928 -1.241 17 H SER 5 H SER 5 -3.550 -17.851 -2.373 18 HA SER 5 HA SER 5 -3.668 -15.540 -0.588 19 HB2 SER 5 1HB SER 5 -4.160 -15.914 -3.537 20 HB3 SER 5 2HB SER 5 -4.656 -14.442 -2.701 21 HG SER 5 HG SER 5 -2.528 -14.042 -2.178 22 H SER 6 H SER 6 -5.614 -14.477 -0.084 23 HA SER 6 HA SER 6 -7.880 -16.273 0.146 24 HB2 SER 6 1HB SER 6 -7.387 -13.489 1.223 25 HB3 SER 6 2HB SER 6 -8.854 -14.420 1.527 26 HG SER 6 HG SER 6 -7.767 -15.755 2.807 27 H GLY 7 H GLY 7 -7.342 -12.961 -1.071 28 HA2 GLY 7 1HA GLY 7 -9.019 -13.416 -3.348 29 HA3 GLY 7 2HA GLY 7 -9.817 -12.432 -2.130 30 H GLU 8 H GLU 8 -7.107 -12.611 -4.353 31 HA GLU 8 HA GLU 8 -5.650 -10.408 -3.976 32 HB2 GLU 8 1HB GLU 8 -5.352 -10.196 -6.365 33 HB3 GLU 8 2HB GLU 8 -5.458 -11.899 -5.945 34 HG2 GLU 8 1HG GLU 8 -7.754 -11.977 -6.704 35 HG3 GLU 8 2HG GLU 8 -7.719 -10.249 -7.050 36 H LYS 9 H LYS 9 -5.718 -8.192 -4.554 37 HA LYS 9 HA LYS 9 -8.451 -7.097 -4.703 38 HB2 LYS 9 1HB LYS 9 -6.056 -6.303 -3.128 39 HB3 LYS 9 2HB LYS 9 -7.091 -5.013 -3.727 40 HG2 LYS 9 1HG LYS 9 -8.065 -5.374 -1.708 41 HG3 LYS 9 2HG LYS 9 -8.985 -6.524 -2.681 42 HD2 LYS 9 1HD LYS 9 -7.838 -8.354 -1.830 43 HD3 LYS 9 2HD LYS 9 -6.458 -7.378 -1.322 44 HE2 LYS 9 1HE LYS 9 -8.112 -6.268 0.305 45 HE3 LYS 9 2HE LYS 9 -9.153 -7.651 -0.030 46 HZ1 LYS 9 3HZ LYS 9 -6.385 -7.790 1.039 47 HZ2 LYS 9 1HZ LYS 9 -7.384 -9.117 0.716 48 HZ3 LYS 9 2HZ LYS 9 -7.802 -8.021 1.934 49 HA PRO 10 HA PRO 10 -7.483 -4.952 -8.406 50 HB2 PRO 10 1HB PRO 10 -8.739 -2.572 -8.048 51 HB3 PRO 10 2HB PRO 10 -9.609 -4.082 -8.346 52 HG2 PRO 10 1HG PRO 10 -9.099 -2.669 -5.757 53 HG3 PRO 10 2HG PRO 10 -10.586 -3.441 -6.336 54 HD2 PRO 10 1HD PRO 10 -8.912 -4.640 -4.578 55 HD3 PRO 10 2HD PRO 10 -9.860 -5.554 -5.769 56 H TYR 11 H TYR 11 -6.317 -3.856 -5.423 57 HA TYR 11 HA TYR 11 -4.496 -1.977 -6.777 58 HB2 TYR 11 1HB TYR 11 -5.431 -1.769 -3.911 59 HB3 TYR 11 2HB TYR 11 -4.435 -0.611 -4.786 60 HD1 TYR 11 HD1 TYR 11 -5.537 0.389 -6.956 61 HD2 TYR 11 HD2 TYR 11 -7.709 -1.391 -3.760 62 HE1 TYR 11 HE1 TYR 11 -7.557 1.600 -7.663 63 HE2 TYR 11 HE2 TYR 11 -9.736 -0.186 -4.459 64 HH TYR 11 HH TYR 11 -10.275 1.030 -7.271 65 H SER 12 H SER 12 -2.466 -2.648 -6.777 66 HA SER 12 HA SER 12 -1.462 -4.162 -4.469 67 HB2 SER 12 1HB SER 12 -0.273 -5.708 -5.934 68 HB3 SER 12 2HB SER 12 -1.999 -5.755 -6.293 69 HG SER 12 HG SER 12 -0.437 -3.956 -7.738 70 H CYS 13 H CYS 13 0.829 -4.046 -4.160 71 HA CYS 13 HA CYS 13 2.014 -1.649 -5.395 72 HB2 CYS 13 1HB CYS 13 1.598 -1.581 -2.918 73 HB3 CYS 13 2HB CYS 13 2.753 -2.898 -2.743 74 H ALA 14 H ALA 14 3.994 -1.753 -6.334 75 HA ALA 14 HA ALA 14 5.142 -4.434 -6.652 76 HB1 ALA 14 3HB ALA 14 5.209 -3.862 -8.796 77 HB2 ALA 14 1HB ALA 14 4.744 -2.202 -8.420 78 HB3 ALA 14 2HB ALA 14 6.444 -2.670 -8.390 79 H GLU 15 H GLU 15 5.574 -2.827 -4.256 80 HA GLU 15 HA GLU 15 8.503 -2.609 -4.420 81 HB2 GLU 15 1HB GLU 15 6.566 -0.713 -3.104 82 HB3 GLU 15 2HB GLU 15 8.264 -0.776 -2.651 83 HG2 GLU 15 1HG GLU 15 8.328 0.896 -4.187 84 HG3 GLU 15 2HG GLU 15 8.628 -0.488 -5.236 85 H CYS 16 H CYS 16 5.689 -3.056 -2.315 86 HA CYS 16 HA CYS 16 7.378 -4.709 -0.554 87 HB2 CYS 16 1HB CYS 16 5.932 -4.019 1.329 88 HB3 CYS 16 2HB CYS 16 6.775 -2.654 0.603 89 H LYS 17 H LYS 17 4.905 -4.729 -2.732 90 HA LYS 17 HA LYS 17 3.353 -6.271 -3.351 91 HB2 LYS 17 1HB LYS 17 4.815 -7.980 -1.330 92 HB3 LYS 17 2HB LYS 17 3.599 -8.581 -2.449 93 HG2 LYS 17 1HG LYS 17 6.104 -7.198 -3.363 94 HG3 LYS 17 2HG LYS 17 6.004 -8.942 -3.108 95 HD2 LYS 17 1HD LYS 17 4.051 -7.493 -4.871 96 HD3 LYS 17 2HD LYS 17 5.611 -8.051 -5.481 97 HE2 LYS 17 1HE LYS 17 3.656 -9.858 -4.078 98 HE3 LYS 17 2HE LYS 17 3.650 -9.614 -5.823 99 HZ1 LYS 17 3HZ LYS 17 6.116 -10.261 -5.649 100 HZ2 LYS 17 1HZ LYS 17 4.952 -11.485 -5.555 101 HZ3 LYS 17 2HZ LYS 17 5.695 -10.914 -4.147 102 H GLU 18 H GLU 18 2.485 -4.387 -1.567 103 HA GLU 18 HA GLU 18 0.854 -5.860 0.382 104 HB2 GLU 18 1HB GLU 18 2.311 -3.855 1.055 105 HB3 GLU 18 2HB GLU 18 1.120 -2.866 0.222 106 HG2 GLU 18 1HG GLU 18 0.690 -4.623 2.621 107 HG3 GLU 18 2HG GLU 18 0.585 -2.866 2.536 108 H THR 19 H THR 19 -1.262 -6.112 0.080 109 HA THR 19 HA THR 19 -2.488 -4.928 -2.279 110 HB THR 19 HB THR 19 -4.397 -6.435 -1.771 111 HG1 THR 19 HG1 THR 19 -4.290 -6.713 0.420 112 HG21 THR 19 3HG2 THR 19 -3.385 -8.309 -2.652 113 HG22 THR 19 1HG2 THR 19 -1.949 -8.141 -1.643 114 HG23 THR 19 2HG2 THR 19 -2.182 -7.076 -3.029 115 H PHE 20 H PHE 20 -4.056 -3.415 -2.270 116 HA PHE 20 HA PHE 20 -5.028 -2.487 0.353 117 HB2 PHE 20 1HB PHE 20 -4.489 -0.802 -2.102 118 HB3 PHE 20 2HB PHE 20 -5.092 -0.213 -0.557 119 HD1 PHE 20 HD2 PHE 20 -2.177 -1.684 -2.266 120 HD2 PHE 20 HD1 PHE 20 -3.629 0.235 1.245 121 HE1 PHE 20 HE2 PHE 20 0.136 -1.346 -1.498 122 HE2 PHE 20 HE1 PHE 20 -1.318 0.576 2.018 123 HZ PHE 20 HZ PHE 20 0.568 -0.216 0.647 124 H SER 21 H SER 21 -7.176 -1.852 0.517 125 HA SER 21 HA SER 21 -8.939 -3.058 -1.440 126 HB2 SER 21 1HB SER 21 -10.724 -2.539 0.184 127 HB3 SER 21 2HB SER 21 -9.387 -3.402 0.945 128 HG SER 21 HG SER 21 -10.325 -0.866 1.397 129 H ASP 22 H ASP 22 -8.053 0.141 -0.312 130 HA ASP 22 HA ASP 22 -9.788 1.298 -2.396 131 HB2 ASP 22 1HB ASP 22 -9.046 2.350 0.329 132 HB3 ASP 22 2HB ASP 22 -9.663 3.404 -0.940 133 H ASN 23 H ASN 23 -8.916 2.756 -3.801 134 HA ASN 23 HA ASN 23 -6.191 2.658 -4.363 135 HB2 ASN 23 1HB ASN 23 -7.413 3.327 -6.196 136 HB3 ASN 23 2HB ASN 23 -8.456 4.384 -5.249 137 HD21 ASN 23 1HD2 ASN 23 -5.599 4.128 -7.113 138 HD22 ASN 23 2HD2 ASN 23 -5.132 5.790 -7.038 139 H ASN 24 H ASN 24 -8.059 5.216 -2.746 140 HA ASN 24 HA ASN 24 -6.191 7.143 -2.355 141 HB2 ASN 24 1HB ASN 24 -8.053 6.184 -0.174 142 HB3 ASN 24 2HB ASN 24 -7.378 7.800 -0.355 143 HD21 ASN 24 1HD2 ASN 24 -9.905 5.692 -1.170 144 HD22 ASN 24 2HD2 ASN 24 -10.755 6.743 -2.247 145 H ARG 25 H ARG 25 -6.636 4.297 -0.262 146 HA ARG 25 HA ARG 25 -4.579 4.822 1.539 147 HB2 ARG 25 1HB ARG 25 -5.669 2.174 0.572 148 HB3 ARG 25 2HB ARG 25 -4.584 2.352 1.944 149 HG2 ARG 25 1HG ARG 25 -6.335 3.921 2.919 150 HG3 ARG 25 2HG ARG 25 -7.416 3.297 1.671 151 HD2 ARG 25 1HD ARG 25 -7.461 1.179 2.582 152 HD3 ARG 25 2HD ARG 25 -5.912 1.385 3.398 153 HE ARG 25 HE ARG 25 -8.056 3.061 4.377 154 HH11 ARG 25 1HH1 ARG 25 -6.328 0.056 4.695 155 HH12 ARG 25 2HH1 ARG 25 -6.807 -0.196 6.341 156 HH21 ARG 25 1HH2 ARG 25 -8.693 2.741 6.544 157 HH22 ARG 25 2HH2 ARG 25 -8.153 1.332 7.391 158 H LEU 26 H LEU 26 -4.504 3.009 -1.512 159 HA LEU 26 HA LEU 26 -1.820 2.204 -1.381 160 HB2 LEU 26 1HB LEU 26 -3.322 1.184 -2.942 161 HB3 LEU 26 2HB LEU 26 -3.623 2.729 -3.735 162 HG LEU 26 HG LEU 26 -1.131 2.682 -4.345 163 HD11 LEU 26 1HD1 LEU 26 -0.944 0.605 -2.698 164 HD12 LEU 26 2HD1 LEU 26 0.096 0.788 -4.110 165 HD13 LEU 26 3HD1 LEU 26 -1.312 -0.270 -4.184 166 HD21 LEU 26 3HD2 LEU 26 -2.769 2.431 -6.042 167 HD22 LEU 26 1HD2 LEU 26 -3.160 0.793 -5.519 168 HD23 LEU 26 2HD2 LEU 26 -1.600 1.130 -6.271 169 H VAL 27 H VAL 27 -3.276 4.971 -3.095 170 HA VAL 27 HA VAL 27 -1.007 6.106 -4.155 171 HB VAL 27 HB VAL 27 -3.396 7.544 -2.992 172 HG11 VAL 27 1HG1 VAL 27 -2.756 9.452 -4.291 173 HG12 VAL 27 2HG1 VAL 27 -1.381 8.981 -3.290 174 HG13 VAL 27 3HG1 VAL 27 -1.404 8.573 -5.006 175 HG21 VAL 27 3HG2 VAL 27 -3.174 5.840 -5.211 176 HG22 VAL 27 1HG2 VAL 27 -4.528 6.887 -4.788 177 HG23 VAL 27 2HG2 VAL 27 -3.257 7.478 -5.859 178 H GLN 28 H GLN 28 -2.445 6.874 -0.982 179 HA GLN 28 HA GLN 28 -0.422 8.624 -0.143 180 HB2 GLN 28 1HB GLN 28 -2.226 6.885 1.548 181 HB3 GLN 28 2HB GLN 28 -1.308 8.270 2.123 182 HG2 GLN 28 1HG GLN 28 -2.595 9.740 0.668 183 HG3 GLN 28 2HG GLN 28 -3.508 8.355 0.072 184 HE21 GLN 28 1HE2 GLN 28 -4.948 10.335 1.060 185 HE22 GLN 28 2HE2 GLN 28 -5.580 9.951 2.621 186 H HIS 29 H HIS 29 -0.836 5.140 0.368 187 HA HIS 29 HA HIS 29 1.286 4.664 2.079 188 HB2 HIS 29 1HB HIS 29 -0.042 2.800 1.755 189 HB3 HIS 29 2HB HIS 29 -0.114 3.022 0.010 190 HD1 HIS 29 HD1 HIS 29 1.911 1.438 2.701 191 HD2 HIS 29 HD2 HIS 29 2.048 1.917 -1.424 192 HE1 HIS 29 HE1 HIS 29 3.671 -0.168 1.896 193 H GLN 30 H GLN 30 1.297 4.728 -1.474 194 HA GLN 30 HA GLN 30 3.892 3.995 -1.984 195 HB2 GLN 30 1HB GLN 30 2.207 6.085 -3.367 196 HB3 GLN 30 2HB GLN 30 3.735 5.489 -4.001 197 HG2 GLN 30 1HG GLN 30 2.763 3.198 -4.000 198 HG3 GLN 30 2HG GLN 30 1.216 3.911 -3.546 199 HE21 GLN 30 1HE2 GLN 30 1.456 2.423 -5.826 200 HE22 GLN 30 2HE2 GLN 30 1.295 3.445 -7.210 201 H LYS 31 H LYS 31 2.691 7.099 -0.854 202 HA LYS 31 HA LYS 31 4.876 8.726 -1.240 203 HB2 LYS 31 1HB LYS 31 3.148 8.684 1.240 204 HB3 LYS 31 2HB LYS 31 4.087 10.045 0.642 205 HG2 LYS 31 1HG LYS 31 2.050 8.860 -1.162 206 HG3 LYS 31 2HG LYS 31 1.495 9.834 0.201 207 HD2 LYS 31 1HD LYS 31 1.733 11.484 -1.356 208 HD3 LYS 31 2HD LYS 31 3.370 11.481 -0.695 209 HE2 LYS 31 1HE LYS 31 3.713 9.644 -2.581 210 HE3 LYS 31 2HE LYS 31 2.368 10.512 -3.319 211 HZ1 LYS 31 3HZ LYS 31 4.658 11.301 -3.931 212 HZ2 LYS 31 1HZ LYS 31 4.809 11.880 -2.349 213 HZ3 LYS 31 2HZ LYS 31 3.605 12.497 -3.363 214 H MET 32 H MET 32 4.301 6.456 1.424 215 HA MET 32 HA MET 32 6.554 7.060 2.956 216 HB2 MET 32 1HB MET 32 4.842 4.623 2.649 217 HB3 MET 32 2HB MET 32 6.309 4.534 3.615 218 HG2 MET 32 1HG MET 32 5.318 6.673 4.754 219 HG3 MET 32 2HG MET 32 3.801 6.052 4.108 220 HE1 MET 32 3HE MET 32 3.243 5.192 7.625 221 HE2 MET 32 1HE MET 32 4.809 5.991 7.764 222 HE3 MET 32 2HE MET 32 3.607 6.600 6.626 223 H HIS 33 H HIS 33 6.174 4.991 0.142 224 HA HIS 33 HA HIS 33 8.728 3.760 0.296 225 HB2 HIS 33 1HB HIS 33 6.645 4.045 -1.838 226 HB3 HIS 33 2HB HIS 33 8.239 3.424 -2.258 227 HD1 HIS 33 HD1 HIS 33 8.907 1.484 -0.148 228 HD2 HIS 33 HD2 HIS 33 5.016 1.922 -1.536 229 HE1 HIS 33 HE1 HIS 33 7.745 -0.673 0.417 230 H THR 34 H THR 34 7.521 6.692 -1.222 231 HA THR 34 HA THR 34 9.954 7.235 -2.645 232 HB THR 34 HB THR 34 8.957 9.409 -3.164 233 HG1 THR 34 HG1 THR 34 7.785 9.273 -0.932 234 HG21 THR 34 3HG2 THR 34 6.835 8.575 -4.230 235 HG22 THR 34 1HG2 THR 34 7.110 7.039 -3.412 236 HG23 THR 34 2HG2 THR 34 8.276 7.628 -4.597 237 H VAL 35 H VAL 35 11.667 7.354 -1.242 238 HA VAL 35 HA VAL 35 11.563 8.901 1.174 239 HB VAL 35 HB VAL 35 13.850 7.579 -0.282 240 HG11 VAL 35 1HG1 VAL 35 15.270 8.108 1.590 241 HG12 VAL 35 2HG1 VAL 35 14.605 9.605 0.933 242 HG13 VAL 35 3HG1 VAL 35 13.941 8.920 2.417 243 HG21 VAL 35 3HG2 VAL 35 13.711 6.345 2.082 244 HG22 VAL 35 1HG2 VAL 35 12.024 6.837 1.927 245 HG23 VAL 35 2HG2 VAL 35 12.767 5.831 0.683 246 H LYS 36 H LYS 36 12.635 10.836 1.621 247 HA LYS 36 HA LYS 36 13.284 12.448 -0.757 248 HB2 LYS 36 1HB LYS 36 12.097 13.210 1.906 249 HB3 LYS 36 2HB LYS 36 12.784 14.405 0.814 250 HG2 LYS 36 1HG LYS 36 10.609 14.520 0.177 251 HG3 LYS 36 2HG LYS 36 11.158 13.244 -0.913 252 HD2 LYS 36 1HD LYS 36 9.125 12.481 0.030 253 HD3 LYS 36 2HD LYS 36 10.411 11.592 0.850 254 HE2 LYS 36 1HE LYS 36 10.178 12.838 2.812 255 HE3 LYS 36 2HE LYS 36 9.308 14.135 1.994 256 HZ1 LYS 36 3HZ LYS 36 8.278 11.817 3.255 257 HZ2 LYS 36 1HZ LYS 36 7.794 11.856 1.634 258 HZ3 LYS 36 2HZ LYS 36 7.446 13.161 2.652 259 H SER 37 H SER 37 15.460 11.526 -0.619 260 HA SER 37 HA SER 37 17.224 11.626 1.453 261 HB2 SER 37 1HB SER 37 18.996 11.649 -0.147 262 HB3 SER 37 2HB SER 37 17.653 10.797 -0.908 263 HG SER 37 HG SER 37 18.663 13.365 -1.431 264 H GLY 38 H GLY 38 18.747 13.122 2.244 265 HA2 GLY 38 1HA GLY 38 18.212 15.940 1.552 266 HA3 GLY 38 2HA GLY 38 18.282 15.421 3.230 267 HA PRO 39 HA PRO 39 22.586 16.232 3.317 268 HB2 PRO 39 1HB PRO 39 23.453 14.353 5.074 269 HB3 PRO 39 2HB PRO 39 22.512 15.767 5.566 270 HG2 PRO 39 1HG PRO 39 21.598 12.957 5.088 271 HG3 PRO 39 2HG PRO 39 21.157 14.070 6.396 272 HD2 PRO 39 1HD PRO 39 19.559 13.632 4.254 273 HD3 PRO 39 2HD PRO 39 19.627 15.197 5.090 274 H SER 40 H SER 40 21.347 13.409 1.986 275 HA SER 40 HA SER 40 23.982 12.339 1.280 276 HB2 SER 40 1HB SER 40 22.303 10.746 2.138 277 HB3 SER 40 2HB SER 40 21.228 11.170 0.806 278 HG SER 40 HG SER 40 23.300 10.549 -0.461 279 H SER 41 H SER 41 24.791 12.405 -0.742 280 HA SER 41 HA SER 41 24.297 14.286 -2.563 281 HB2 SER 41 1HB SER 41 26.055 12.420 -2.649 282 HB3 SER 41 2HB SER 41 24.846 11.480 -3.523 283 HG SER 41 HG SER 41 26.492 13.078 -4.616 284 H GLY 42 H GLY 42 22.498 14.978 -3.502 285 HA2 GLY 42 1HA GLY 42 20.836 13.125 -4.989 286 HA3 GLY 42 2HA GLY 42 20.042 13.891 -3.621 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.021 -21.987 1.643 2 HA2 GLY 1 1HA GLY 1 2.462 -21.218 4.063 3 HA3 GLY 1 2HA GLY 1 2.890 -20.366 2.586 4 H SER 2 H SER 2 -0.074 -21.343 4.317 5 HA SER 2 HA SER 2 -1.302 -18.805 3.529 6 HB2 SER 2 1HB SER 2 -2.463 -21.341 4.697 7 HB3 SER 2 2HB SER 2 -3.404 -19.873 4.434 8 HG SER 2 HG SER 2 -3.289 -20.154 2.308 9 H SER 3 H SER 3 -0.458 -17.308 4.921 10 HA SER 3 HA SER 3 -0.645 -17.823 7.799 11 HB2 SER 3 1HB SER 3 1.497 -16.992 7.240 12 HB3 SER 3 2HB SER 3 0.831 -15.763 6.165 13 HG SER 3 HG SER 3 1.402 -15.555 8.752 14 H GLY 4 H GLY 4 -2.899 -17.604 8.030 15 HA2 GLY 4 1HA GLY 4 -4.751 -16.392 8.666 16 HA3 GLY 4 2HA GLY 4 -3.772 -14.938 8.538 17 H SER 5 H SER 5 -6.193 -16.856 7.092 18 HA SER 5 HA SER 5 -5.997 -15.840 4.437 19 HB2 SER 5 1HB SER 5 -8.332 -16.760 4.212 20 HB3 SER 5 2HB SER 5 -7.137 -17.929 4.774 21 HG SER 5 HG SER 5 -8.508 -16.477 6.714 22 H SER 6 H SER 6 -5.947 -13.626 4.415 23 HA SER 6 HA SER 6 -8.094 -12.149 5.733 24 HB2 SER 6 1HB SER 6 -5.596 -11.477 5.774 25 HB3 SER 6 2HB SER 6 -5.870 -10.909 4.127 26 HG SER 6 HG SER 6 -7.560 -10.119 6.242 27 H GLY 7 H GLY 7 -6.561 -12.136 2.505 28 HA2 GLY 7 1HA GLY 7 -8.486 -12.626 0.784 29 HA3 GLY 7 2HA GLY 7 -9.045 -11.070 1.380 30 H GLU 8 H GLU 8 -8.621 -11.190 -1.234 31 HA GLU 8 HA GLU 8 -6.024 -9.851 -1.617 32 HB2 GLU 8 1HB GLU 8 -6.118 -10.636 -3.974 33 HB3 GLU 8 2HB GLU 8 -6.003 -11.945 -2.808 34 HG2 GLU 8 1HG GLU 8 -8.689 -11.097 -3.770 35 HG3 GLU 8 2HG GLU 8 -7.666 -12.080 -4.816 36 H LYS 9 H LYS 9 -5.968 -8.005 -2.895 37 HA LYS 9 HA LYS 9 -8.592 -6.878 -3.623 38 HB2 LYS 9 1HB LYS 9 -6.338 -5.704 -2.075 39 HB3 LYS 9 2HB LYS 9 -7.208 -4.639 -3.171 40 HG2 LYS 9 1HG LYS 9 -8.290 -4.363 -1.133 41 HG3 LYS 9 2HG LYS 9 -9.328 -5.486 -2.015 42 HD2 LYS 9 1HD LYS 9 -9.164 -6.413 0.128 43 HD3 LYS 9 2HD LYS 9 -8.007 -7.337 -0.833 44 HE2 LYS 9 1HE LYS 9 -6.800 -6.859 1.084 45 HE3 LYS 9 2HE LYS 9 -6.295 -5.575 -0.013 46 HZ1 LYS 9 3HZ LYS 9 -6.836 -4.243 1.682 47 HZ2 LYS 9 1HZ LYS 9 -7.790 -5.411 2.449 48 HZ3 LYS 9 2HZ LYS 9 -8.437 -4.484 1.191 49 HA PRO 10 HA PRO 10 -7.045 -6.070 -7.649 50 HB2 PRO 10 1HB PRO 10 -8.182 -3.675 -8.233 51 HB3 PRO 10 2HB PRO 10 -9.103 -5.182 -8.155 52 HG2 PRO 10 1HG PRO 10 -8.823 -3.024 -6.099 53 HG3 PRO 10 2HG PRO 10 -10.275 -3.909 -6.601 54 HD2 PRO 10 1HD PRO 10 -8.907 -4.516 -4.345 55 HD3 PRO 10 2HD PRO 10 -9.759 -5.743 -5.304 56 H TYR 11 H TYR 11 -6.369 -3.859 -5.090 57 HA TYR 11 HA TYR 11 -4.361 -2.457 -6.707 58 HB2 TYR 11 1HB TYR 11 -5.411 -1.816 -3.943 59 HB3 TYR 11 2HB TYR 11 -4.262 -0.843 -4.855 60 HD1 TYR 11 HD1 TYR 11 -5.028 0.199 -7.034 61 HD2 TYR 11 HD2 TYR 11 -7.728 -1.552 -4.250 62 HE1 TYR 11 HE1 TYR 11 -6.888 1.428 -8.073 63 HE2 TYR 11 HE2 TYR 11 -9.595 -0.328 -5.282 64 HH TYR 11 HH TYR 11 -9.085 2.165 -7.628 65 H SER 12 H SER 12 -2.378 -3.258 -6.663 66 HA SER 12 HA SER 12 -1.341 -4.319 -4.122 67 HB2 SER 12 1HB SER 12 -0.190 -6.107 -5.307 68 HB3 SER 12 2HB SER 12 -1.916 -6.187 -5.657 69 HG SER 12 HG SER 12 -0.228 -4.732 -7.362 70 H CYS 13 H CYS 13 0.426 -3.291 -3.486 71 HA CYS 13 HA CYS 13 1.695 -1.318 -5.071 72 HB2 CYS 13 1HB CYS 13 1.529 -1.552 -2.477 73 HB3 CYS 13 2HB CYS 13 2.988 -2.523 -2.646 74 H ALA 14 H ALA 14 3.268 -1.496 -6.520 75 HA ALA 14 HA ALA 14 4.512 -4.071 -6.978 76 HB1 ALA 14 3HB ALA 14 5.504 -1.891 -8.616 77 HB2 ALA 14 1HB ALA 14 4.708 -3.392 -9.090 78 HB3 ALA 14 2HB ALA 14 3.744 -1.990 -8.623 79 H GLU 15 H GLU 15 5.168 -2.382 -4.580 80 HA GLU 15 HA GLU 15 8.080 -2.265 -5.007 81 HB2 GLU 15 1HB GLU 15 6.348 -0.432 -3.347 82 HB3 GLU 15 2HB GLU 15 8.102 -0.475 -3.236 83 HG2 GLU 15 1HG GLU 15 8.100 -0.003 -5.741 84 HG3 GLU 15 2HG GLU 15 6.397 0.403 -5.538 85 H CYS 16 H CYS 16 5.506 -2.691 -2.600 86 HA CYS 16 HA CYS 16 7.350 -4.392 -1.052 87 HB2 CYS 16 1HB CYS 16 6.000 -3.827 0.936 88 HB3 CYS 16 2HB CYS 16 6.717 -2.398 0.199 89 H LYS 17 H LYS 17 4.760 -4.472 -3.084 90 HA LYS 17 HA LYS 17 3.244 -6.066 -3.658 91 HB2 LYS 17 1HB LYS 17 5.183 -7.615 -1.989 92 HB3 LYS 17 2HB LYS 17 3.682 -8.385 -2.486 93 HG2 LYS 17 1HG LYS 17 5.542 -7.075 -4.445 94 HG3 LYS 17 2HG LYS 17 5.703 -8.765 -3.958 95 HD2 LYS 17 1HD LYS 17 3.746 -9.389 -4.999 96 HD3 LYS 17 2HD LYS 17 3.050 -7.770 -4.896 97 HE2 LYS 17 1HE LYS 17 4.744 -7.025 -6.575 98 HE3 LYS 17 2HE LYS 17 5.230 -8.710 -6.755 99 HZ1 LYS 17 3HZ LYS 17 3.349 -7.524 -8.238 100 HZ2 LYS 17 1HZ LYS 17 2.391 -8.216 -7.028 101 HZ3 LYS 17 2HZ LYS 17 3.415 -9.190 -7.957 102 H GLU 18 H GLU 18 2.366 -4.291 -1.794 103 HA GLU 18 HA GLU 18 0.946 -5.903 0.211 104 HB2 GLU 18 1HB GLU 18 2.326 -3.880 0.908 105 HB3 GLU 18 2HB GLU 18 1.106 -2.894 0.114 106 HG2 GLU 18 1HG GLU 18 0.625 -2.957 2.446 107 HG3 GLU 18 2HG GLU 18 -0.602 -3.898 1.602 108 H THR 19 H THR 19 -1.309 -5.605 0.526 109 HA THR 19 HA THR 19 -2.700 -4.796 -1.932 110 HB THR 19 HB THR 19 -4.627 -6.110 -0.980 111 HG1 THR 19 HG1 THR 19 -4.311 -6.461 1.111 112 HG21 THR 19 3HG2 THR 19 -3.852 -8.130 -1.829 113 HG22 THR 19 1HG2 THR 19 -2.226 -7.889 -1.194 114 HG23 THR 19 2HG2 THR 19 -2.774 -6.960 -2.589 115 H PHE 20 H PHE 20 -4.618 -3.556 -1.821 116 HA PHE 20 HA PHE 20 -5.232 -2.257 0.721 117 HB2 PHE 20 1HB PHE 20 -4.524 -0.746 -1.802 118 HB3 PHE 20 2HB PHE 20 -5.197 -0.016 -0.348 119 HD1 PHE 20 HD2 PHE 20 -2.235 -1.530 -1.863 120 HD2 PHE 20 HD1 PHE 20 -3.855 0.277 1.634 121 HE1 PHE 20 HE2 PHE 20 0.036 -1.247 -0.961 122 HE2 PHE 20 HE1 PHE 20 -1.586 0.564 2.541 123 HZ PHE 20 HZ PHE 20 0.363 -0.199 1.244 124 H SER 21 H SER 21 -7.313 -1.336 0.825 125 HA SER 21 HA SER 21 -9.304 -2.705 -0.599 126 HB2 SER 21 1HB SER 21 -9.404 -1.442 1.690 127 HB3 SER 21 2HB SER 21 -9.851 -0.054 0.698 128 HG SER 21 HG SER 21 -11.702 -1.007 0.160 129 H ASP 22 H ASP 22 -8.329 0.717 -0.818 130 HA ASP 22 HA ASP 22 -9.279 0.712 -3.603 131 HB2 ASP 22 1HB ASP 22 -9.538 3.100 -1.779 132 HB3 ASP 22 2HB ASP 22 -10.266 2.861 -3.365 133 H ASN 23 H ASN 23 -8.469 2.943 -4.629 134 HA ASN 23 HA ASN 23 -5.652 2.723 -4.763 135 HB2 ASN 23 1HB ASN 23 -5.803 4.757 -6.206 136 HB3 ASN 23 2HB ASN 23 -6.889 3.461 -6.700 137 HD21 ASN 23 1HD2 ASN 23 -6.906 6.461 -6.992 138 HD22 ASN 23 2HD2 ASN 23 -8.480 6.930 -6.457 139 H ASN 24 H ASN 24 -7.695 5.411 -3.603 140 HA ASN 24 HA ASN 24 -5.953 7.215 -2.706 141 HB2 ASN 24 1HB ASN 24 -7.513 7.914 -1.088 142 HB3 ASN 24 2HB ASN 24 -8.490 7.104 -2.309 143 HD21 ASN 24 1HD2 ASN 24 -9.784 5.509 -1.692 144 HD22 ASN 24 2HD2 ASN 24 -9.777 4.760 -0.135 145 H ARG 25 H ARG 25 -6.794 4.304 -0.832 146 HA ARG 25 HA ARG 25 -5.050 4.747 1.305 147 HB2 ARG 25 1HB ARG 25 -6.450 2.381 0.171 148 HB3 ARG 25 2HB ARG 25 -5.127 2.074 1.288 149 HG2 ARG 25 1HG ARG 25 -7.189 4.054 2.085 150 HG3 ARG 25 2HG ARG 25 -7.617 2.342 2.112 151 HD2 ARG 25 1HD ARG 25 -5.390 2.064 3.408 152 HD3 ARG 25 2HD ARG 25 -5.531 3.799 3.689 153 HE ARG 25 HE ARG 25 -7.937 2.917 4.466 154 HH11 ARG 25 1HH1 ARG 25 -4.718 1.809 5.192 155 HH12 ARG 25 2HH1 ARG 25 -5.135 1.220 6.767 156 HH21 ARG 25 1HH2 ARG 25 -8.499 2.146 6.538 157 HH22 ARG 25 2HH2 ARG 25 -7.286 1.412 7.532 158 H LEU 26 H LEU 26 -4.560 2.912 -1.698 159 HA LEU 26 HA LEU 26 -1.953 2.034 -1.143 160 HB2 LEU 26 1HB LEU 26 -3.108 0.975 -2.897 161 HB3 LEU 26 2HB LEU 26 -3.455 2.505 -3.699 162 HG LEU 26 HG LEU 26 -0.951 2.679 -4.117 163 HD11 LEU 26 1HD1 LEU 26 0.011 0.250 -4.259 164 HD12 LEU 26 2HD1 LEU 26 -1.148 -0.064 -2.968 165 HD13 LEU 26 3HD1 LEU 26 0.100 1.164 -2.753 166 HD21 LEU 26 3HD2 LEU 26 -2.731 0.624 -5.388 167 HD22 LEU 26 1HD2 LEU 26 -1.100 0.933 -5.985 168 HD23 LEU 26 2HD2 LEU 26 -2.295 2.230 -5.975 169 H VAL 27 H VAL 27 -3.048 4.812 -3.090 170 HA VAL 27 HA VAL 27 -0.607 5.867 -3.800 171 HB VAL 27 HB VAL 27 -3.085 7.417 -3.031 172 HG11 VAL 27 1HG1 VAL 27 -1.923 9.266 -3.421 173 HG12 VAL 27 2HG1 VAL 27 -0.477 8.309 -3.751 174 HG13 VAL 27 3HG1 VAL 27 -1.592 8.703 -5.059 175 HG21 VAL 27 3HG2 VAL 27 -2.201 6.065 -5.552 176 HG22 VAL 27 1HG2 VAL 27 -3.770 6.017 -4.749 177 HG23 VAL 27 2HG2 VAL 27 -3.267 7.469 -5.615 178 H GLN 28 H GLN 28 -2.506 6.735 -0.907 179 HA GLN 28 HA GLN 28 -0.711 8.501 0.239 180 HB2 GLN 28 1HB GLN 28 -2.651 6.589 1.538 181 HB3 GLN 28 2HB GLN 28 -1.767 7.820 2.430 182 HG2 GLN 28 1HG GLN 28 -2.792 9.526 0.912 183 HG3 GLN 28 2HG GLN 28 -3.807 8.239 0.264 184 HE21 GLN 28 1HE2 GLN 28 -4.163 10.757 2.018 185 HE22 GLN 28 2HE2 GLN 28 -5.206 10.205 3.280 186 H HIS 29 H HIS 29 -0.730 4.993 0.288 187 HA HIS 29 HA HIS 29 1.267 4.683 2.284 188 HB2 HIS 29 1HB HIS 29 0.034 2.747 1.981 189 HB3 HIS 29 2HB HIS 29 0.025 2.902 0.227 190 HD1 HIS 29 HD1 HIS 29 1.717 1.190 2.958 191 HD2 HIS 29 HD2 HIS 29 2.595 2.193 -0.977 192 HE1 HIS 29 HE1 HIS 29 3.663 -0.265 2.312 193 H GLN 30 H GLN 30 1.393 4.488 -1.271 194 HA GLN 30 HA GLN 30 3.961 3.888 -1.776 195 HB2 GLN 30 1HB GLN 30 2.205 5.963 -3.059 196 HB3 GLN 30 2HB GLN 30 3.830 5.656 -3.656 197 HG2 GLN 30 1HG GLN 30 3.065 3.186 -3.745 198 HG3 GLN 30 2HG GLN 30 1.441 3.868 -3.680 199 HE21 GLN 30 1HE2 GLN 30 1.174 2.903 -5.782 200 HE22 GLN 30 2HE2 GLN 30 1.752 3.731 -7.183 201 H LYS 31 H LYS 31 2.810 7.047 -0.678 202 HA LYS 31 HA LYS 31 4.986 8.639 -0.897 203 HB2 LYS 31 1HB LYS 31 3.000 8.357 1.340 204 HB3 LYS 31 2HB LYS 31 4.293 9.546 1.434 205 HG2 LYS 31 1HG LYS 31 2.309 10.603 0.604 206 HG3 LYS 31 2HG LYS 31 3.501 10.520 -0.695 207 HD2 LYS 31 1HD LYS 31 2.369 8.612 -1.661 208 HD3 LYS 31 2HD LYS 31 1.229 8.570 -0.313 209 HE2 LYS 31 1HE LYS 31 0.080 9.642 -2.062 210 HE3 LYS 31 2HE LYS 31 0.590 10.937 -0.981 211 HZ1 LYS 31 3HZ LYS 31 1.528 11.881 -2.736 212 HZ2 LYS 31 1HZ LYS 31 1.236 10.531 -3.713 213 HZ3 LYS 31 2HZ LYS 31 2.647 10.614 -2.784 214 H MET 32 H MET 32 4.474 6.219 1.652 215 HA MET 32 HA MET 32 6.683 6.672 3.224 216 HB2 MET 32 1HB MET 32 5.238 4.142 2.487 217 HB3 MET 32 2HB MET 32 6.627 4.106 3.565 218 HG2 MET 32 1HG MET 32 5.441 5.752 5.018 219 HG3 MET 32 2HG MET 32 4.025 5.549 3.990 220 HE1 MET 32 3HE MET 32 3.054 5.288 6.333 221 HE2 MET 32 1HE MET 32 2.095 4.076 5.483 222 HE3 MET 32 2HE MET 32 2.793 3.701 7.058 223 H HIS 33 H HIS 33 6.500 4.920 0.167 224 HA HIS 33 HA HIS 33 9.160 3.942 0.205 225 HB2 HIS 33 1HB HIS 33 7.235 4.418 -2.076 226 HB3 HIS 33 2HB HIS 33 8.797 3.627 -2.264 227 HD1 HIS 33 HD1 HIS 33 8.684 1.833 0.275 228 HD2 HIS 33 HD2 HIS 33 5.596 2.265 -2.470 229 HE1 HIS 33 HE1 HIS 33 7.281 -0.241 0.509 230 H THR 34 H THR 34 7.681 6.903 -0.981 231 HA THR 34 HA THR 34 10.317 7.857 -1.867 232 HB THR 34 HB THR 34 8.599 8.021 -3.580 233 HG1 THR 34 HG1 THR 34 9.633 9.798 -4.054 234 HG21 THR 34 3HG2 THR 34 6.936 8.744 -1.405 235 HG22 THR 34 1HG2 THR 34 6.481 8.507 -3.091 236 HG23 THR 34 2HG2 THR 34 6.962 10.107 -2.524 237 H VAL 35 H VAL 35 11.378 8.932 -0.336 238 HA VAL 35 HA VAL 35 10.047 10.236 1.844 239 HB VAL 35 HB VAL 35 12.331 10.977 2.495 240 HG11 VAL 35 1HG1 VAL 35 12.930 8.194 2.052 241 HG12 VAL 35 2HG1 VAL 35 12.521 9.030 3.552 242 HG13 VAL 35 3HG1 VAL 35 11.241 8.407 2.510 243 HG21 VAL 35 3HG2 VAL 35 14.257 10.110 1.244 244 HG22 VAL 35 1HG2 VAL 35 13.164 9.480 0.012 245 HG23 VAL 35 2HG2 VAL 35 13.292 11.220 0.271 246 H LYS 36 H LYS 36 9.363 12.269 1.952 247 HA LYS 36 HA LYS 36 10.676 14.476 0.789 248 HB2 LYS 36 1HB LYS 36 9.225 15.080 -0.996 249 HB3 LYS 36 2HB LYS 36 9.674 13.401 -1.263 250 HG2 LYS 36 1HG LYS 36 7.464 12.887 0.007 251 HG3 LYS 36 2HG LYS 36 7.052 14.549 -0.423 252 HD2 LYS 36 1HD LYS 36 7.819 13.796 -2.813 253 HD3 LYS 36 2HD LYS 36 7.488 12.179 -2.187 254 HE2 LYS 36 1HE LYS 36 5.496 14.424 -2.003 255 HE3 LYS 36 2HE LYS 36 5.590 13.358 -3.404 256 HZ1 LYS 36 3HZ LYS 36 4.257 12.904 -1.007 257 HZ2 LYS 36 1HZ LYS 36 5.546 11.808 -1.055 258 HZ3 LYS 36 2HZ LYS 36 4.420 11.846 -2.317 259 H SER 37 H SER 37 9.088 16.461 0.778 260 HA SER 37 HA SER 37 8.035 17.903 2.213 261 HB2 SER 37 1HB SER 37 6.194 16.536 1.006 262 HB3 SER 37 2HB SER 37 5.973 15.738 2.563 263 HG SER 37 HG SER 37 5.958 18.168 3.248 264 H GLY 38 H GLY 38 10.024 16.510 3.543 265 HA2 GLY 38 1HA GLY 38 10.560 16.696 5.859 266 HA3 GLY 38 2HA GLY 38 8.870 16.407 6.242 267 HA PRO 39 HA PRO 39 11.583 12.465 6.368 268 HB2 PRO 39 1HB PRO 39 12.076 12.346 9.035 269 HB3 PRO 39 2HB PRO 39 13.161 13.147 7.892 270 HG2 PRO 39 1HG PRO 39 11.093 14.342 9.696 271 HG3 PRO 39 2HG PRO 39 12.738 14.907 9.351 272 HD2 PRO 39 1HD PRO 39 10.550 15.992 8.182 273 HD3 PRO 39 2HD PRO 39 12.119 15.886 7.359 274 H SER 40 H SER 40 9.164 13.773 8.588 275 HA SER 40 HA SER 40 7.347 11.663 8.149 276 HB2 SER 40 1HB SER 40 9.104 10.523 9.605 277 HB3 SER 40 2HB SER 40 8.568 11.582 10.910 278 HG SER 40 HG SER 40 7.291 9.417 9.732 279 H SER 41 H SER 41 5.583 11.712 9.984 280 HA SER 41 HA SER 41 4.201 14.008 9.927 281 HB2 SER 41 1HB SER 41 4.372 12.305 12.423 282 HB3 SER 41 2HB SER 41 3.020 13.322 11.926 283 HG SER 41 HG SER 41 2.340 11.746 10.728 284 H GLY 42 H GLY 42 6.381 13.207 12.642 285 HA2 GLY 42 1HA GLY 42 7.327 15.921 12.785 286 HA3 GLY 42 2HA GLY 42 6.242 15.503 14.103 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.535 -23.301 -6.469 2 HA2 GLY 1 1HA GLY 1 0.918 -24.753 -4.970 3 HA3 GLY 1 2HA GLY 1 1.137 -23.373 -3.903 4 H SER 2 H SER 2 -1.169 -24.542 -5.566 5 HA SER 2 HA SER 2 -1.853 -22.625 -7.527 6 HB2 SER 2 1HB SER 2 -2.900 -24.810 -7.541 7 HB3 SER 2 2HB SER 2 -3.587 -24.533 -5.941 8 HG SER 2 HG SER 2 -4.943 -24.148 -7.925 9 H SER 3 H SER 3 -3.262 -23.115 -4.284 10 HA SER 3 HA SER 3 -4.047 -20.281 -4.291 11 HB2 SER 3 1HB SER 3 -5.756 -20.854 -2.688 12 HB3 SER 3 2HB SER 3 -5.856 -22.000 -4.025 13 HG SER 3 HG SER 3 -4.908 -22.395 -1.408 14 H GLY 4 H GLY 4 -3.351 -18.904 -2.735 15 HA2 GLY 4 1HA GLY 4 -2.450 -19.488 -0.192 16 HA3 GLY 4 2HA GLY 4 -1.040 -19.630 -1.231 17 H SER 5 H SER 5 -3.723 -17.398 -0.528 18 HA SER 5 HA SER 5 -1.809 -15.200 -0.430 19 HB2 SER 5 1HB SER 5 -4.276 -15.090 -2.182 20 HB3 SER 5 2HB SER 5 -3.106 -13.793 -1.941 21 HG SER 5 HG SER 5 -2.537 -16.332 -3.079 22 H SER 6 H SER 6 -2.907 -13.150 0.329 23 HA SER 6 HA SER 6 -4.870 -13.861 2.399 24 HB2 SER 6 1HB SER 6 -4.031 -12.061 3.708 25 HB3 SER 6 2HB SER 6 -2.612 -12.875 3.050 26 HG SER 6 HG SER 6 -3.738 -10.399 2.334 27 H GLY 7 H GLY 7 -4.129 -11.454 -0.087 28 HA2 GLY 7 1HA GLY 7 -6.983 -10.872 -0.303 29 HA3 GLY 7 2HA GLY 7 -5.926 -9.523 0.085 30 H GLU 8 H GLU 8 -7.627 -10.426 -2.332 31 HA GLU 8 HA GLU 8 -5.513 -10.079 -4.356 32 HB2 GLU 8 1HB GLU 8 -8.234 -11.355 -4.696 33 HB3 GLU 8 2HB GLU 8 -7.012 -11.185 -5.949 34 HG2 GLU 8 1HG GLU 8 -6.502 -12.698 -3.409 35 HG3 GLU 8 2HG GLU 8 -7.219 -13.450 -4.833 36 H LYS 9 H LYS 9 -6.335 -7.815 -3.146 37 HA LYS 9 HA LYS 9 -8.571 -6.566 -4.377 38 HB2 LYS 9 1HB LYS 9 -6.220 -5.545 -2.804 39 HB3 LYS 9 2HB LYS 9 -7.386 -4.440 -3.520 40 HG2 LYS 9 1HG LYS 9 -8.308 -4.658 -1.461 41 HG3 LYS 9 2HG LYS 9 -9.101 -6.015 -2.264 42 HD2 LYS 9 1HD LYS 9 -7.020 -7.354 -1.434 43 HD3 LYS 9 2HD LYS 9 -6.861 -6.024 -0.284 44 HE2 LYS 9 1HE LYS 9 -8.153 -7.612 0.845 45 HE3 LYS 9 2HE LYS 9 -9.328 -6.440 0.252 46 HZ1 LYS 9 3HZ LYS 9 -10.049 -8.727 -0.116 47 HZ2 LYS 9 1HZ LYS 9 -8.677 -9.023 -1.062 48 HZ3 LYS 9 2HZ LYS 9 -9.839 -7.908 -1.582 49 HA PRO 10 HA PRO 10 -6.972 -5.200 -8.229 50 HB2 PRO 10 1HB PRO 10 -8.176 -2.782 -8.495 51 HB3 PRO 10 2HB PRO 10 -9.048 -4.312 -8.651 52 HG2 PRO 10 1HG PRO 10 -8.876 -2.459 -6.305 53 HG3 PRO 10 2HG PRO 10 -10.289 -3.308 -6.960 54 HD2 PRO 10 1HD PRO 10 -8.942 -4.186 -4.781 55 HD3 PRO 10 2HD PRO 10 -9.736 -5.290 -5.922 56 H TYR 11 H TYR 11 -6.277 -3.527 -5.347 57 HA TYR 11 HA TYR 11 -4.286 -1.844 -6.718 58 HB2 TYR 11 1HB TYR 11 -5.345 -1.452 -3.917 59 HB3 TYR 11 2HB TYR 11 -4.377 -0.327 -4.864 60 HD1 TYR 11 HD1 TYR 11 -5.408 0.748 -6.898 61 HD2 TYR 11 HD2 TYR 11 -7.700 -1.463 -4.075 62 HE1 TYR 11 HE1 TYR 11 -7.460 1.811 -7.740 63 HE2 TYR 11 HE2 TYR 11 -9.758 -0.407 -4.911 64 HH TYR 11 HH TYR 11 -9.706 1.775 -7.692 65 H SER 12 H SER 12 -2.354 -2.780 -6.695 66 HA SER 12 HA SER 12 -1.438 -4.022 -4.185 67 HB2 SER 12 1HB SER 12 -0.157 -5.648 -5.517 68 HB3 SER 12 2HB SER 12 -1.882 -5.761 -5.863 69 HG SER 12 HG SER 12 -1.345 -4.263 -7.674 70 H CYS 13 H CYS 13 0.841 -3.906 -3.781 71 HA CYS 13 HA CYS 13 2.088 -1.579 -5.080 72 HB2 CYS 13 1HB CYS 13 1.573 -1.720 -2.506 73 HB3 CYS 13 2HB CYS 13 3.042 -2.689 -2.468 74 H ALA 14 H ALA 14 3.547 -2.122 -6.554 75 HA ALA 14 HA ALA 14 4.838 -4.682 -6.577 76 HB1 ALA 14 3HB ALA 14 4.735 -4.116 -8.736 77 HB2 ALA 14 1HB ALA 14 4.598 -2.396 -8.373 78 HB3 ALA 14 2HB ALA 14 6.185 -3.165 -8.419 79 H GLU 15 H GLU 15 5.348 -2.249 -4.572 80 HA GLU 15 HA GLU 15 8.271 -2.245 -4.733 81 HB2 GLU 15 1HB GLU 15 6.234 -0.484 -3.470 82 HB3 GLU 15 2HB GLU 15 7.798 -0.605 -2.677 83 HG2 GLU 15 1HG GLU 15 7.667 -0.043 -5.602 84 HG3 GLU 15 2HG GLU 15 7.360 1.250 -4.444 85 H CYS 16 H CYS 16 5.678 -2.847 -2.372 86 HA CYS 16 HA CYS 16 7.576 -4.512 -0.851 87 HB2 CYS 16 1HB CYS 16 6.172 -4.018 1.145 88 HB3 CYS 16 2HB CYS 16 6.938 -2.586 0.464 89 H LYS 17 H LYS 17 4.942 -4.600 -2.844 90 HA LYS 17 HA LYS 17 3.523 -6.267 -3.469 91 HB2 LYS 17 1HB LYS 17 4.914 -7.991 -1.416 92 HB3 LYS 17 2HB LYS 17 3.968 -8.536 -2.795 93 HG2 LYS 17 1HG LYS 17 6.477 -6.920 -3.110 94 HG3 LYS 17 2HG LYS 17 6.487 -8.682 -3.000 95 HD2 LYS 17 1HD LYS 17 4.673 -7.354 -4.963 96 HD3 LYS 17 2HD LYS 17 6.394 -7.488 -5.334 97 HE2 LYS 17 1HE LYS 17 4.947 -9.908 -4.376 98 HE3 LYS 17 2HE LYS 17 4.679 -9.369 -6.033 99 HZ1 LYS 17 3HZ LYS 17 6.541 -10.421 -6.561 100 HZ2 LYS 17 1HZ LYS 17 6.904 -10.745 -4.941 101 HZ3 LYS 17 2HZ LYS 17 7.408 -9.293 -5.646 102 H GLU 18 H GLU 18 2.499 -4.453 -1.766 103 HA GLU 18 HA GLU 18 0.990 -6.019 0.218 104 HB2 GLU 18 1HB GLU 18 2.391 -3.959 0.905 105 HB3 GLU 18 2HB GLU 18 1.117 -3.016 0.146 106 HG2 GLU 18 1HG GLU 18 0.913 -3.316 2.622 107 HG3 GLU 18 2HG GLU 18 -0.502 -3.783 1.682 108 H THR 19 H THR 19 -1.275 -5.636 0.435 109 HA THR 19 HA THR 19 -2.520 -4.748 -2.082 110 HB THR 19 HB THR 19 -4.488 -6.142 -1.317 111 HG1 THR 19 HG1 THR 19 -4.173 -6.568 0.789 112 HG21 THR 19 3HG2 THR 19 -3.638 -7.578 -2.792 113 HG22 THR 19 1HG2 THR 19 -2.625 -8.268 -1.525 114 HG23 THR 19 2HG2 THR 19 -2.021 -6.935 -2.509 115 H PHE 20 H PHE 20 -4.457 -3.537 -2.003 116 HA PHE 20 HA PHE 20 -5.166 -2.376 0.593 117 HB2 PHE 20 1HB PHE 20 -4.626 -0.750 -1.901 118 HB3 PHE 20 2HB PHE 20 -5.203 -0.116 -0.363 119 HD1 PHE 20 HD2 PHE 20 -2.333 -1.677 -2.069 120 HD2 PHE 20 HD1 PHE 20 -3.714 0.337 1.416 121 HE1 PHE 20 HE2 PHE 20 -0.007 -1.369 -1.330 122 HE2 PHE 20 HE1 PHE 20 -1.390 0.650 2.161 123 HZ PHE 20 HZ PHE 20 0.467 -0.205 0.788 124 H SER 21 H SER 21 -7.288 -1.567 0.735 125 HA SER 21 HA SER 21 -9.181 -2.957 -0.876 126 HB2 SER 21 1HB SER 21 -9.792 -2.595 1.390 127 HB3 SER 21 2HB SER 21 -9.450 -0.868 1.286 128 HG SER 21 HG SER 21 -11.716 -2.242 0.628 129 H ASP 22 H ASP 22 -8.379 0.490 -0.508 130 HA ASP 22 HA ASP 22 -9.622 0.960 -3.140 131 HB2 ASP 22 1HB ASP 22 -9.528 2.848 -0.777 132 HB3 ASP 22 2HB ASP 22 -10.182 3.237 -2.365 133 H ASN 23 H ASN 23 -8.728 2.861 -4.299 134 HA ASN 23 HA ASN 23 -5.944 2.649 -4.580 135 HB2 ASN 23 1HB ASN 23 -6.175 4.698 -6.020 136 HB3 ASN 23 2HB ASN 23 -7.259 3.377 -6.450 137 HD21 ASN 23 1HD2 ASN 23 -7.029 6.632 -5.761 138 HD22 ASN 23 2HD2 ASN 23 -8.708 6.975 -5.540 139 H ASN 24 H ASN 24 -7.893 5.305 -3.218 140 HA ASN 24 HA ASN 24 -6.064 7.131 -2.506 141 HB2 ASN 24 1HB ASN 24 -8.044 6.203 -0.436 142 HB3 ASN 24 2HB ASN 24 -7.486 7.841 -0.764 143 HD21 ASN 24 1HD2 ASN 24 -9.588 5.269 -1.773 144 HD22 ASN 24 2HD2 ASN 24 -10.557 6.211 -2.850 145 H ARG 25 H ARG 25 -6.861 4.367 -0.392 146 HA ARG 25 HA ARG 25 -4.958 4.759 1.557 147 HB2 ARG 25 1HB ARG 25 -6.374 2.372 0.487 148 HB3 ARG 25 2HB ARG 25 -4.985 2.086 1.527 149 HG2 ARG 25 1HG ARG 25 -7.038 4.021 2.449 150 HG3 ARG 25 2HG ARG 25 -7.431 2.301 2.489 151 HD2 ARG 25 1HD ARG 25 -5.555 1.836 3.896 152 HD3 ARG 25 2HD ARG 25 -4.938 3.476 3.705 153 HE ARG 25 HE ARG 25 -7.346 3.908 4.802 154 HH11 ARG 25 1HH1 ARG 25 -4.756 1.743 5.652 155 HH12 ARG 25 2HH1 ARG 25 -5.116 1.768 7.346 156 HH21 ARG 25 1HH2 ARG 25 -7.830 3.949 7.031 157 HH22 ARG 25 2HH2 ARG 25 -6.866 3.022 8.129 158 H LEU 26 H LEU 26 -4.594 3.125 -1.558 159 HA LEU 26 HA LEU 26 -1.933 2.250 -1.127 160 HB2 LEU 26 1HB LEU 26 -3.209 1.163 -2.801 161 HB3 LEU 26 2HB LEU 26 -3.571 2.687 -3.610 162 HG LEU 26 HG LEU 26 -0.956 2.742 -3.946 163 HD11 LEU 26 1HD1 LEU 26 -1.136 0.362 -2.629 164 HD12 LEU 26 2HD1 LEU 26 0.186 0.835 -3.696 165 HD13 LEU 26 3HD1 LEU 26 -1.136 -0.154 -4.316 166 HD21 LEU 26 3HD2 LEU 26 -2.111 0.788 -5.784 167 HD22 LEU 26 1HD2 LEU 26 -1.466 2.400 -6.096 168 HD23 LEU 26 2HD2 LEU 26 -3.126 2.209 -5.528 169 H VAL 27 H VAL 27 -3.234 4.970 -3.030 170 HA VAL 27 HA VAL 27 -0.905 6.111 -3.911 171 HB VAL 27 HB VAL 27 -3.342 7.587 -2.905 172 HG11 VAL 27 1HG1 VAL 27 -1.561 8.651 -5.037 173 HG12 VAL 27 2HG1 VAL 27 -2.567 9.510 -3.869 174 HG13 VAL 27 3HG1 VAL 27 -1.038 8.793 -3.359 175 HG21 VAL 27 3HG2 VAL 27 -4.346 6.546 -4.611 176 HG22 VAL 27 1HG2 VAL 27 -3.392 7.603 -5.653 177 HG23 VAL 27 2HG2 VAL 27 -2.815 5.979 -5.278 178 H GLN 28 H GLN 28 -2.475 6.636 -0.768 179 HA GLN 28 HA GLN 28 -0.604 8.509 0.203 180 HB2 GLN 28 1HB GLN 28 -2.376 6.603 1.742 181 HB3 GLN 28 2HB GLN 28 -1.543 7.994 2.423 182 HG2 GLN 28 1HG GLN 28 -2.913 9.513 1.319 183 HG3 GLN 28 2HG GLN 28 -3.463 8.312 0.152 184 HE21 GLN 28 1HE2 GLN 28 -4.951 10.107 1.961 185 HE22 GLN 28 2HE2 GLN 28 -5.985 9.076 2.884 186 H HIS 29 H HIS 29 -0.774 4.988 0.406 187 HA HIS 29 HA HIS 29 1.413 4.669 2.177 188 HB2 HIS 29 1HB HIS 29 0.013 2.804 2.048 189 HB3 HIS 29 2HB HIS 29 -0.042 2.845 0.288 190 HD1 HIS 29 HD1 HIS 29 2.022 1.621 3.149 191 HD2 HIS 29 HD2 HIS 29 2.084 1.553 -1.005 192 HE1 HIS 29 HE1 HIS 29 3.786 -0.061 2.530 193 H GLN 30 H GLN 30 1.142 4.831 -1.329 194 HA GLN 30 HA GLN 30 3.663 3.948 -2.068 195 HB2 GLN 30 1HB GLN 30 1.684 5.834 -3.257 196 HB3 GLN 30 2HB GLN 30 3.301 5.788 -3.947 197 HG2 GLN 30 1HG GLN 30 3.034 3.331 -4.239 198 HG3 GLN 30 2HG GLN 30 1.360 3.504 -3.715 199 HE21 GLN 30 1HE2 GLN 30 0.566 2.769 -5.680 200 HE22 GLN 30 2HE2 GLN 30 0.617 3.732 -7.113 201 H LYS 31 H LYS 31 2.678 7.000 -0.686 202 HA LYS 31 HA LYS 31 4.981 8.503 -1.285 203 HB2 LYS 31 1HB LYS 31 2.837 8.696 0.801 204 HB3 LYS 31 2HB LYS 31 4.242 9.750 0.894 205 HG2 LYS 31 1HG LYS 31 3.750 10.623 -1.326 206 HG3 LYS 31 2HG LYS 31 2.356 9.547 -1.446 207 HD2 LYS 31 1HD LYS 31 1.276 10.664 0.397 208 HD3 LYS 31 2HD LYS 31 2.707 11.657 0.682 209 HE2 LYS 31 1HE LYS 31 2.363 12.919 -1.242 210 HE3 LYS 31 2HE LYS 31 1.326 11.696 -1.975 211 HZ1 LYS 31 3HZ LYS 31 -0.166 13.301 -1.308 212 HZ2 LYS 31 1HZ LYS 31 0.673 13.664 0.116 213 HZ3 LYS 31 2HZ LYS 31 -0.217 12.230 0.000 214 H MET 32 H MET 32 4.345 6.057 1.089 215 HA MET 32 HA MET 32 6.557 6.713 2.793 216 HB2 MET 32 1HB MET 32 4.572 4.495 2.619 217 HB3 MET 32 2HB MET 32 6.055 4.211 3.521 218 HG2 MET 32 1HG MET 32 5.539 6.291 4.826 219 HG3 MET 32 2HG MET 32 3.963 6.303 4.037 220 HE1 MET 32 3HE MET 32 2.102 5.711 5.871 221 HE2 MET 32 1HE MET 32 2.125 4.764 4.383 222 HE3 MET 32 2HE MET 32 1.860 3.964 5.932 223 H HIS 33 H HIS 33 6.445 5.530 -0.266 224 HA HIS 33 HA HIS 33 8.780 3.780 0.085 225 HB2 HIS 33 1HB HIS 33 6.645 3.982 -1.998 226 HB3 HIS 33 2HB HIS 33 8.225 3.358 -2.463 227 HD1 HIS 33 HD1 HIS 33 9.053 1.351 -0.651 228 HD2 HIS 33 HD2 HIS 33 4.990 2.007 -1.218 229 HE1 HIS 33 HE1 HIS 33 7.918 -0.755 0.122 230 H THR 34 H THR 34 8.646 6.806 0.051 231 HA THR 34 HA THR 34 10.607 7.218 -2.112 232 HB THR 34 HB THR 34 9.892 9.565 -2.241 233 HG1 THR 34 HG1 THR 34 8.313 10.345 -0.968 234 HG21 THR 34 3HG2 THR 34 7.883 7.389 -2.697 235 HG22 THR 34 1HG2 THR 34 8.836 8.291 -3.875 236 HG23 THR 34 2HG2 THR 34 7.478 9.067 -3.059 237 H VAL 35 H VAL 35 12.381 8.561 -1.667 238 HA VAL 35 HA VAL 35 12.760 9.325 1.147 239 HB VAL 35 HB VAL 35 13.926 7.184 0.747 240 HG11 VAL 35 1HG1 VAL 35 15.749 8.667 -1.124 241 HG12 VAL 35 2HG1 VAL 35 15.663 6.932 -0.815 242 HG13 VAL 35 3HG1 VAL 35 14.367 7.737 -1.701 243 HG21 VAL 35 3HG2 VAL 35 16.259 8.074 1.388 244 HG22 VAL 35 1HG2 VAL 35 15.502 9.666 1.328 245 HG23 VAL 35 2HG2 VAL 35 14.900 8.444 2.448 246 H LYS 36 H LYS 36 13.357 11.374 1.349 247 HA LYS 36 HA LYS 36 14.102 12.903 -0.991 248 HB2 LYS 36 1HB LYS 36 13.459 13.585 1.862 249 HB3 LYS 36 2HB LYS 36 14.199 14.780 0.806 250 HG2 LYS 36 1HG LYS 36 12.333 14.980 -0.507 251 HG3 LYS 36 2HG LYS 36 11.761 13.353 -0.130 252 HD2 LYS 36 1HD LYS 36 11.262 14.127 2.179 253 HD3 LYS 36 2HD LYS 36 11.706 15.762 1.686 254 HE2 LYS 36 1HE LYS 36 9.368 15.691 1.506 255 HE3 LYS 36 2HE LYS 36 9.955 15.507 -0.147 256 HZ1 LYS 36 3HZ LYS 36 9.764 13.012 0.336 257 HZ2 LYS 36 1HZ LYS 36 8.341 13.879 0.045 258 HZ3 LYS 36 2HZ LYS 36 8.773 13.470 1.628 259 H SER 37 H SER 37 15.547 12.229 2.194 260 HA SER 37 HA SER 37 18.082 13.351 1.354 261 HB2 SER 37 1HB SER 37 17.391 11.915 3.928 262 HB3 SER 37 2HB SER 37 18.825 12.896 3.624 263 HG SER 37 HG SER 37 17.502 14.706 3.448 264 H GLY 38 H GLY 38 19.981 12.228 1.015 265 HA2 GLY 38 1HA GLY 38 21.219 10.486 0.159 266 HA3 GLY 38 2HA GLY 38 20.575 9.601 1.533 267 HA PRO 39 HA PRO 39 17.635 8.706 -2.217 268 HB2 PRO 39 1HB PRO 39 18.557 9.459 -4.657 269 HB3 PRO 39 2HB PRO 39 17.555 10.505 -3.644 270 HG2 PRO 39 1HG PRO 39 20.526 10.509 -4.015 271 HG3 PRO 39 2HG PRO 39 19.405 11.882 -3.943 272 HD2 PRO 39 1HD PRO 39 20.920 11.126 -1.830 273 HD3 PRO 39 2HD PRO 39 19.307 11.844 -1.641 274 H SER 40 H SER 40 17.717 6.630 -2.798 275 HA SER 40 HA SER 40 19.931 5.551 -4.292 276 HB2 SER 40 1HB SER 40 20.696 5.488 -1.884 277 HB3 SER 40 2HB SER 40 19.374 4.364 -1.568 278 HG SER 40 HG SER 40 21.284 3.235 -2.019 279 H SER 41 H SER 41 19.213 4.013 -5.623 280 HA SER 41 HA SER 41 17.150 2.164 -4.899 281 HB2 SER 41 1HB SER 41 15.610 3.893 -5.389 282 HB3 SER 41 2HB SER 41 16.534 4.429 -6.792 283 HG SER 41 HG SER 41 15.543 1.813 -6.763 284 H GLY 42 H GLY 42 17.726 0.321 -5.827 285 HA2 GLY 42 1HA GLY 42 18.921 -1.118 -7.191 286 HA3 GLY 42 2HA GLY 42 18.000 -0.298 -8.443 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.511 -8.671 -16.681 2 HA2 GLY 1 1HA GLY 1 -13.432 -10.032 -14.899 3 HA3 GLY 1 2HA GLY 1 -13.676 -9.781 -16.621 4 H SER 2 H SER 2 -11.299 -11.295 -14.436 5 HA SER 2 HA SER 2 -11.243 -13.595 -16.277 6 HB2 SER 2 1HB SER 2 -8.995 -12.087 -15.009 7 HB3 SER 2 2HB SER 2 -8.810 -13.823 -15.259 8 HG SER 2 HG SER 2 -9.114 -13.520 -17.447 9 H SER 3 H SER 3 -11.147 -15.635 -15.368 10 HA SER 3 HA SER 3 -11.692 -15.730 -12.476 11 HB2 SER 3 1HB SER 3 -12.585 -17.517 -14.740 12 HB3 SER 3 2HB SER 3 -12.737 -17.987 -13.047 13 HG SER 3 HG SER 3 -14.573 -16.957 -13.232 14 H GLY 4 H GLY 4 -10.407 -16.888 -11.163 15 HA2 GLY 4 1HA GLY 4 -8.836 -19.101 -12.026 16 HA3 GLY 4 2HA GLY 4 -7.848 -17.654 -11.881 17 H SER 5 H SER 5 -6.924 -19.403 -10.300 18 HA SER 5 HA SER 5 -8.296 -19.558 -7.765 19 HB2 SER 5 1HB SER 5 -6.875 -21.416 -8.675 20 HB3 SER 5 2HB SER 5 -5.461 -20.394 -8.415 21 HG SER 5 HG SER 5 -6.866 -21.879 -6.633 22 H SER 6 H SER 6 -7.843 -16.908 -8.521 23 HA SER 6 HA SER 6 -6.599 -15.889 -6.187 24 HB2 SER 6 1HB SER 6 -4.614 -16.511 -7.695 25 HB3 SER 6 2HB SER 6 -5.124 -15.166 -8.716 26 HG SER 6 HG SER 6 -3.965 -14.025 -7.385 27 H GLY 7 H GLY 7 -7.443 -13.941 -5.730 28 HA2 GLY 7 1HA GLY 7 -8.402 -12.239 -7.910 29 HA3 GLY 7 2HA GLY 7 -9.584 -12.790 -6.732 30 H GLU 8 H GLU 8 -6.230 -11.641 -6.398 31 HA GLU 8 HA GLU 8 -6.620 -10.284 -4.008 32 HB2 GLU 8 1HB GLU 8 -4.534 -9.094 -4.518 33 HB3 GLU 8 2HB GLU 8 -4.402 -10.811 -4.873 34 HG2 GLU 8 1HG GLU 8 -3.409 -9.913 -6.720 35 HG3 GLU 8 2HG GLU 8 -5.072 -10.064 -7.284 36 H LYS 9 H LYS 9 -6.672 -7.990 -3.562 37 HA LYS 9 HA LYS 9 -8.773 -6.642 -4.741 38 HB2 LYS 9 1HB LYS 9 -6.452 -5.749 -3.069 39 HB3 LYS 9 2HB LYS 9 -7.556 -4.553 -3.735 40 HG2 LYS 9 1HG LYS 9 -8.559 -4.902 -1.731 41 HG3 LYS 9 2HG LYS 9 -9.364 -6.164 -2.668 42 HD2 LYS 9 1HD LYS 9 -7.520 -7.721 -1.883 43 HD3 LYS 9 2HD LYS 9 -7.068 -6.452 -0.743 44 HE2 LYS 9 1HE LYS 9 -8.506 -8.004 0.382 45 HE3 LYS 9 2HE LYS 9 -9.393 -6.501 0.138 46 HZ1 LYS 9 3HZ LYS 9 -10.658 -8.574 -0.369 47 HZ2 LYS 9 1HZ LYS 9 -9.619 -8.832 -1.679 48 HZ3 LYS 9 2HZ LYS 9 -10.603 -7.458 -1.639 49 HA PRO 10 HA PRO 10 -7.337 -4.819 -8.465 50 HB2 PRO 10 1HB PRO 10 -8.574 -2.402 -8.426 51 HB3 PRO 10 2HB PRO 10 -9.436 -3.918 -8.713 52 HG2 PRO 10 1HG PRO 10 -9.195 -2.326 -6.190 53 HG3 PRO 10 2HG PRO 10 -10.623 -3.119 -6.880 54 HD2 PRO 10 1HD PRO 10 -9.187 -4.207 -4.859 55 HD3 PRO 10 2HD PRO 10 -10.012 -5.193 -6.083 56 H TYR 11 H TYR 11 -6.371 -3.668 -5.481 57 HA TYR 11 HA TYR 11 -4.446 -1.824 -6.735 58 HB2 TYR 11 1HB TYR 11 -5.640 -1.532 -3.971 59 HB3 TYR 11 2HB TYR 11 -4.505 -0.430 -4.743 60 HD1 TYR 11 HD1 TYR 11 -5.312 0.598 -7.019 61 HD2 TYR 11 HD2 TYR 11 -7.907 -1.077 -4.093 62 HE1 TYR 11 HE1 TYR 11 -7.189 1.880 -7.959 63 HE2 TYR 11 HE2 TYR 11 -9.791 0.200 -5.025 64 HH TYR 11 HH TYR 11 -10.461 1.609 -6.599 65 H SER 12 H SER 12 -2.431 -2.517 -6.559 66 HA SER 12 HA SER 12 -1.581 -3.881 -4.113 67 HB2 SER 12 1HB SER 12 -0.634 -5.735 -5.220 68 HB3 SER 12 2HB SER 12 -2.213 -5.540 -5.980 69 HG SER 12 HG SER 12 0.158 -5.535 -7.144 70 H CYS 13 H CYS 13 0.694 -3.821 -3.741 71 HA CYS 13 HA CYS 13 1.952 -1.497 -4.980 72 HB2 CYS 13 1HB CYS 13 1.786 -2.088 -2.402 73 HB3 CYS 13 2HB CYS 13 3.237 -3.020 -2.756 74 H ALA 14 H ALA 14 4.312 -1.613 -5.440 75 HA ALA 14 HA ALA 14 4.965 -4.194 -6.702 76 HB1 ALA 14 3HB ALA 14 5.933 -3.105 -8.470 77 HB2 ALA 14 1HB ALA 14 4.658 -1.961 -8.050 78 HB3 ALA 14 2HB ALA 14 6.315 -1.669 -7.520 79 H GLU 15 H GLU 15 6.089 -1.673 -4.571 80 HA GLU 15 HA GLU 15 8.787 -2.658 -4.420 81 HB2 GLU 15 1HB GLU 15 7.271 -0.654 -2.743 82 HB3 GLU 15 2HB GLU 15 8.971 -1.037 -2.514 83 HG2 GLU 15 1HG GLU 15 8.799 0.977 -3.786 84 HG3 GLU 15 2HG GLU 15 9.407 -0.303 -4.834 85 H CYS 16 H CYS 16 6.043 -2.572 -2.147 86 HA CYS 16 HA CYS 16 7.364 -4.620 -0.525 87 HB2 CYS 16 1HB CYS 16 5.701 -4.085 1.185 88 HB3 CYS 16 2HB CYS 16 6.515 -2.623 0.638 89 H LYS 17 H LYS 17 4.819 -4.203 -2.785 90 HA LYS 17 HA LYS 17 3.370 -5.668 -3.752 91 HB2 LYS 17 1HB LYS 17 4.828 -7.792 -2.169 92 HB3 LYS 17 2HB LYS 17 3.790 -8.056 -3.565 93 HG2 LYS 17 1HG LYS 17 6.270 -6.375 -3.726 94 HG3 LYS 17 2HG LYS 17 6.303 -8.127 -3.941 95 HD2 LYS 17 1HD LYS 17 4.357 -7.617 -5.642 96 HD3 LYS 17 2HD LYS 17 5.102 -6.017 -5.670 97 HE2 LYS 17 1HE LYS 17 6.084 -7.268 -7.433 98 HE3 LYS 17 2HE LYS 17 7.288 -7.157 -6.150 99 HZ1 LYS 17 3HZ LYS 17 7.434 -9.358 -6.470 100 HZ2 LYS 17 1HZ LYS 17 5.911 -9.478 -7.196 101 HZ3 LYS 17 2HZ LYS 17 6.043 -9.433 -5.511 102 H GLU 18 H GLU 18 2.419 -4.293 -1.607 103 HA GLU 18 HA GLU 18 0.973 -6.245 0.037 104 HB2 GLU 18 1HB GLU 18 2.261 -4.101 0.904 105 HB3 GLU 18 2HB GLU 18 0.754 -3.301 0.479 106 HG2 GLU 18 1HG GLU 18 0.479 -3.815 2.717 107 HG3 GLU 18 2HG GLU 18 -0.376 -5.118 1.892 108 H THR 19 H THR 19 -1.325 -5.910 0.419 109 HA THR 19 HA THR 19 -2.671 -5.045 -2.037 110 HB THR 19 HB THR 19 -4.632 -6.299 -1.145 111 HG1 THR 19 HG1 THR 19 -3.782 -7.851 0.633 112 HG21 THR 19 3HG2 THR 19 -3.851 -8.044 -2.290 113 HG22 THR 19 1HG2 THR 19 -2.729 -8.449 -0.992 114 HG23 THR 19 2HG2 THR 19 -2.251 -7.304 -2.245 115 H PHE 20 H PHE 20 -4.593 -3.782 -1.946 116 HA PHE 20 HA PHE 20 -5.111 -2.366 0.561 117 HB2 PHE 20 1HB PHE 20 -4.568 -0.978 -2.072 118 HB3 PHE 20 2HB PHE 20 -5.100 -0.187 -0.592 119 HD1 PHE 20 HD2 PHE 20 -2.311 -1.946 -2.219 120 HD2 PHE 20 HD1 PHE 20 -3.577 0.301 1.167 121 HE1 PHE 20 HE2 PHE 20 0.035 -1.667 -1.531 122 HE2 PHE 20 HE1 PHE 20 -1.233 0.584 1.860 123 HZ PHE 20 HZ PHE 20 0.576 -0.402 0.512 124 H SER 21 H SER 21 -7.205 -1.663 0.818 125 HA SER 21 HA SER 21 -9.197 -2.987 -0.705 126 HB2 SER 21 1HB SER 21 -10.785 -1.588 0.676 127 HB3 SER 21 2HB SER 21 -9.641 -2.553 1.610 128 HG SER 21 HG SER 21 -8.491 -0.748 2.081 129 H ASP 22 H ASP 22 -8.313 0.448 -0.417 130 HA ASP 22 HA ASP 22 -9.631 0.903 -3.014 131 HB2 ASP 22 1HB ASP 22 -10.705 1.929 -0.881 132 HB3 ASP 22 2HB ASP 22 -9.361 3.066 -0.947 133 H ASN 23 H ASN 23 -8.786 2.941 -4.100 134 HA ASN 23 HA ASN 23 -5.999 2.664 -4.497 135 HB2 ASN 23 1HB ASN 23 -7.011 3.448 -6.405 136 HB3 ASN 23 2HB ASN 23 -8.130 4.479 -5.517 137 HD21 ASN 23 1HD2 ASN 23 -5.054 4.236 -7.032 138 HD22 ASN 23 2HD2 ASN 23 -4.596 5.893 -6.860 139 H ASN 24 H ASN 24 -7.891 5.358 -3.121 140 HA ASN 24 HA ASN 24 -6.028 7.153 -2.433 141 HB2 ASN 24 1HB ASN 24 -7.990 6.262 -0.331 142 HB3 ASN 24 2HB ASN 24 -7.414 7.890 -0.674 143 HD21 ASN 24 1HD2 ASN 24 -10.115 6.437 -0.625 144 HD22 ASN 24 2HD2 ASN 24 -10.875 6.964 -2.085 145 H ARG 25 H ARG 25 -6.700 4.212 -0.551 146 HA ARG 25 HA ARG 25 -4.790 4.642 1.456 147 HB2 ARG 25 1HB ARG 25 -6.136 2.188 0.369 148 HB3 ARG 25 2HB ARG 25 -4.881 2.048 1.592 149 HG2 ARG 25 1HG ARG 25 -6.378 3.865 2.805 150 HG3 ARG 25 2HG ARG 25 -7.632 3.126 1.807 151 HD2 ARG 25 1HD ARG 25 -6.656 0.890 2.707 152 HD3 ARG 25 2HD ARG 25 -5.967 1.907 3.972 153 HE ARG 25 HE ARG 25 -8.805 2.244 3.523 154 HH11 ARG 25 1HH1 ARG 25 -6.311 0.606 5.317 155 HH12 ARG 25 2HH1 ARG 25 -7.350 0.200 6.643 156 HH21 ARG 25 1HH2 ARG 25 -10.182 1.717 5.263 157 HH22 ARG 25 2HH2 ARG 25 -9.552 0.832 6.611 158 H LEU 26 H LEU 26 -4.561 2.881 -1.618 159 HA LEU 26 HA LEU 26 -1.910 1.991 -1.283 160 HB2 LEU 26 1HB LEU 26 -3.286 0.950 -2.919 161 HB3 LEU 26 2HB LEU 26 -3.582 2.484 -3.734 162 HG LEU 26 HG LEU 26 -1.065 2.478 -4.237 163 HD11 LEU 26 1HD1 LEU 26 -0.050 0.250 -4.349 164 HD12 LEU 26 2HD1 LEU 26 -1.461 -0.428 -3.538 165 HD13 LEU 26 3HD1 LEU 26 -0.424 0.720 -2.691 166 HD21 LEU 26 3HD2 LEU 26 -2.867 0.423 -5.512 167 HD22 LEU 26 1HD2 LEU 26 -1.401 1.097 -6.223 168 HD23 LEU 26 2HD2 LEU 26 -2.793 2.137 -5.924 169 H VAL 27 H VAL 27 -3.201 4.762 -3.116 170 HA VAL 27 HA VAL 27 -0.848 5.831 -4.059 171 HB VAL 27 HB VAL 27 -3.247 7.364 -3.047 172 HG11 VAL 27 1HG1 VAL 27 -2.299 9.262 -3.731 173 HG12 VAL 27 2HG1 VAL 27 -0.778 8.368 -3.781 174 HG13 VAL 27 3HG1 VAL 27 -1.753 8.535 -5.242 175 HG21 VAL 27 3HG2 VAL 27 -4.305 6.408 -4.759 176 HG22 VAL 27 1HG2 VAL 27 -3.244 7.329 -5.825 177 HG23 VAL 27 2HG2 VAL 27 -2.815 5.682 -5.362 178 H GLN 28 H GLN 28 -2.463 6.720 -1.004 179 HA GLN 28 HA GLN 28 -0.501 8.450 -0.055 180 HB2 GLN 28 1HB GLN 28 -2.431 6.684 1.454 181 HB3 GLN 28 2HB GLN 28 -1.441 7.922 2.216 182 HG2 GLN 28 1HG GLN 28 -2.514 9.601 0.726 183 HG3 GLN 28 2HG GLN 28 -3.592 8.330 0.153 184 HE21 GLN 28 1HE2 GLN 28 -2.776 10.434 2.773 185 HE22 GLN 28 2HE2 GLN 28 -4.173 10.118 3.739 186 H HIS 29 H HIS 29 -0.853 4.953 0.418 187 HA HIS 29 HA HIS 29 1.229 4.531 2.201 188 HB2 HIS 29 1HB HIS 29 -0.161 2.685 1.806 189 HB3 HIS 29 2HB HIS 29 0.006 2.816 0.058 190 HD1 HIS 29 HD1 HIS 29 1.566 1.303 3.056 191 HD2 HIS 29 HD2 HIS 29 2.420 1.735 -0.987 192 HE1 HIS 29 HE1 HIS 29 3.439 -0.309 2.588 193 H GLN 30 H GLN 30 1.336 4.407 -1.357 194 HA GLN 30 HA GLN 30 3.973 3.779 -1.749 195 HB2 GLN 30 1HB GLN 30 2.147 5.612 -3.288 196 HB3 GLN 30 2HB GLN 30 3.783 5.266 -3.831 197 HG2 GLN 30 1HG GLN 30 3.185 2.834 -3.779 198 HG3 GLN 30 2HG GLN 30 1.517 3.324 -3.488 199 HE21 GLN 30 1HE2 GLN 30 0.433 2.983 -5.292 200 HE22 GLN 30 2HE2 GLN 30 0.921 3.470 -6.876 201 H LYS 31 H LYS 31 2.602 6.923 -0.933 202 HA LYS 31 HA LYS 31 4.620 8.670 -1.339 203 HB2 LYS 31 1HB LYS 31 3.026 8.479 1.224 204 HB3 LYS 31 2HB LYS 31 3.866 9.908 0.635 205 HG2 LYS 31 1HG LYS 31 1.824 8.646 -1.118 206 HG3 LYS 31 2HG LYS 31 1.283 9.586 0.276 207 HD2 LYS 31 1HD LYS 31 2.528 11.516 -0.511 208 HD3 LYS 31 2HD LYS 31 3.163 10.580 -1.866 209 HE2 LYS 31 1HE LYS 31 1.410 11.736 -2.839 210 HE3 LYS 31 2HE LYS 31 0.665 10.189 -2.440 211 HZ1 LYS 31 3HZ LYS 31 -0.101 11.277 -0.332 212 HZ2 LYS 31 1HZ LYS 31 -0.822 11.862 -1.746 213 HZ3 LYS 31 2HZ LYS 31 0.396 12.756 -0.986 214 H MET 32 H MET 32 4.405 6.424 1.403 215 HA MET 32 HA MET 32 6.727 7.226 2.734 216 HB2 MET 32 1HB MET 32 5.356 4.540 2.604 217 HB3 MET 32 2HB MET 32 6.699 4.889 3.685 218 HG2 MET 32 1HG MET 32 5.140 6.901 4.388 219 HG3 MET 32 2HG MET 32 3.887 5.820 3.784 220 HE1 MET 32 3HE MET 32 2.600 5.413 5.956 221 HE2 MET 32 1HE MET 32 2.894 3.911 5.080 222 HE3 MET 32 2HE MET 32 3.064 3.955 6.835 223 H HIS 33 H HIS 33 6.255 4.859 0.149 224 HA HIS 33 HA HIS 33 8.890 3.861 0.109 225 HB2 HIS 33 1HB HIS 33 6.692 3.943 -1.948 226 HB3 HIS 33 2HB HIS 33 8.267 3.245 -2.310 227 HD1 HIS 33 HD1 HIS 33 8.733 1.778 0.390 228 HD2 HIS 33 HD2 HIS 33 5.205 1.654 -1.802 229 HE1 HIS 33 HE1 HIS 33 7.577 -0.342 1.095 230 H THR 34 H THR 34 7.365 6.607 -1.474 231 HA THR 34 HA THR 34 9.624 7.219 -3.128 232 HB THR 34 HB THR 34 8.445 9.348 -3.590 233 HG1 THR 34 HG1 THR 34 7.345 9.839 -1.763 234 HG21 THR 34 3HG2 THR 34 7.538 8.039 -5.160 235 HG22 THR 34 1HG2 THR 34 6.136 7.902 -4.101 236 HG23 THR 34 2HG2 THR 34 7.402 6.676 -4.049 237 H VAL 35 H VAL 35 11.435 8.192 -2.522 238 HA VAL 35 HA VAL 35 11.527 9.551 0.068 239 HB VAL 35 HB VAL 35 13.812 8.768 -1.748 240 HG11 VAL 35 1HG1 VAL 35 13.628 10.179 0.844 241 HG12 VAL 35 2HG1 VAL 35 14.906 8.973 0.687 242 HG13 VAL 35 3HG1 VAL 35 14.822 10.323 -0.445 243 HG21 VAL 35 3HG2 VAL 35 13.135 6.701 -1.089 244 HG22 VAL 35 1HG2 VAL 35 14.077 7.129 0.339 245 HG23 VAL 35 2HG2 VAL 35 12.322 7.304 0.354 246 H LYS 36 H LYS 36 12.320 10.092 -3.343 247 HA LYS 36 HA LYS 36 12.988 12.000 -4.446 248 HB2 LYS 36 1HB LYS 36 11.268 13.677 -4.458 249 HB3 LYS 36 2HB LYS 36 10.498 12.105 -4.297 250 HG2 LYS 36 1HG LYS 36 10.236 12.474 -1.898 251 HG3 LYS 36 2HG LYS 36 11.013 14.051 -2.057 252 HD2 LYS 36 1HD LYS 36 8.531 13.288 -3.581 253 HD3 LYS 36 2HD LYS 36 8.481 14.052 -1.990 254 HE2 LYS 36 1HE LYS 36 10.062 15.259 -4.232 255 HE3 LYS 36 2HE LYS 36 8.326 15.538 -4.098 256 HZ1 LYS 36 3HZ LYS 36 10.221 16.072 -1.882 257 HZ2 LYS 36 1HZ LYS 36 8.607 16.566 -2.007 258 HZ3 LYS 36 2HZ LYS 36 9.780 17.244 -3.019 259 H SER 37 H SER 37 14.459 11.629 -2.028 260 HA SER 37 HA SER 37 14.951 14.440 -1.291 261 HB2 SER 37 1HB SER 37 13.981 13.099 0.580 262 HB3 SER 37 2HB SER 37 15.382 12.031 0.491 263 HG SER 37 HG SER 37 16.493 14.292 0.674 264 H GLY 38 H GLY 38 16.173 13.292 -3.494 265 HA2 GLY 38 1HA GLY 38 18.880 13.816 -3.016 266 HA3 GLY 38 2HA GLY 38 18.660 12.073 -2.965 267 HA PRO 39 HA PRO 39 19.287 13.607 -7.376 268 HB2 PRO 39 1HB PRO 39 21.617 12.293 -7.838 269 HB3 PRO 39 2HB PRO 39 21.552 13.929 -7.170 270 HG2 PRO 39 1HG PRO 39 21.926 11.318 -5.754 271 HG3 PRO 39 2HG PRO 39 22.769 12.857 -5.502 272 HD2 PRO 39 1HD PRO 39 20.756 12.018 -3.896 273 HD3 PRO 39 2HD PRO 39 21.051 13.735 -4.239 274 H SER 40 H SER 40 18.592 10.865 -5.693 275 HA SER 40 HA SER 40 18.217 9.316 -8.168 276 HB2 SER 40 1HB SER 40 20.030 8.263 -6.967 277 HB3 SER 40 2HB SER 40 19.105 8.281 -5.466 278 HG SER 40 HG SER 40 18.891 6.604 -7.675 279 H SER 41 H SER 41 16.141 8.991 -8.560 280 HA SER 41 HA SER 41 14.289 8.792 -6.274 281 HB2 SER 41 1HB SER 41 12.596 9.897 -7.552 282 HB3 SER 41 2HB SER 41 14.060 10.868 -7.710 283 HG SER 41 HG SER 41 12.687 9.402 -9.610 284 H GLY 42 H GLY 42 14.915 7.750 -9.608 285 HA2 GLY 42 1HA GLY 42 12.901 5.954 -10.035 286 HA3 GLY 42 2HA GLY 42 14.544 5.708 -10.608 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.980 -22.467 1.761 2 HA2 GLY 1 1HA GLY 1 -1.378 -24.358 -0.407 3 HA3 GLY 1 2HA GLY 1 -2.248 -24.724 1.076 4 H SER 2 H SER 2 -3.956 -24.466 -0.761 5 HA SER 2 HA SER 2 -4.815 -21.651 -0.862 6 HB2 SER 2 1HB SER 2 -6.146 -22.288 -2.841 7 HB3 SER 2 2HB SER 2 -4.432 -22.627 -3.075 8 HG SER 2 HG SER 2 -4.926 -24.821 -2.456 9 H SER 3 H SER 3 -5.306 -22.983 1.474 10 HA SER 3 HA SER 3 -7.949 -24.141 1.430 11 HB2 SER 3 1HB SER 3 -6.012 -23.472 3.645 12 HB3 SER 3 2HB SER 3 -7.637 -24.076 3.967 13 HG SER 3 HG SER 3 -6.860 -25.776 2.309 14 H GLY 4 H GLY 4 -8.073 -21.634 0.323 15 HA2 GLY 4 1HA GLY 4 -10.080 -20.404 1.923 16 HA3 GLY 4 2HA GLY 4 -8.591 -19.471 1.968 17 H SER 5 H SER 5 -11.290 -20.485 0.036 18 HA SER 5 HA SER 5 -10.327 -19.206 -2.369 19 HB2 SER 5 1HB SER 5 -13.052 -20.351 -1.708 20 HB3 SER 5 2HB SER 5 -12.523 -19.824 -3.306 21 HG SER 5 HG SER 5 -10.781 -21.420 -3.019 22 H SER 6 H SER 6 -10.042 -17.047 -1.880 23 HA SER 6 HA SER 6 -12.513 -15.545 -1.307 24 HB2 SER 6 1HB SER 6 -10.646 -15.596 0.500 25 HB3 SER 6 2HB SER 6 -9.786 -14.503 -0.584 26 HG SER 6 HG SER 6 -10.927 -13.100 0.551 27 H GLY 7 H GLY 7 -9.211 -14.952 -2.540 28 HA2 GLY 7 1HA GLY 7 -9.293 -14.461 -5.064 29 HA3 GLY 7 2HA GLY 7 -10.396 -13.183 -4.575 30 H GLU 8 H GLU 8 -9.411 -11.285 -4.695 31 HA GLU 8 HA GLU 8 -7.139 -10.671 -3.123 32 HB2 GLU 8 1HB GLU 8 -5.562 -10.118 -4.936 33 HB3 GLU 8 2HB GLU 8 -5.918 -11.838 -4.868 34 HG2 GLU 8 1HG GLU 8 -5.993 -11.402 -7.126 35 HG3 GLU 8 2HG GLU 8 -7.692 -11.307 -6.665 36 H LYS 9 H LYS 9 -6.287 -8.397 -3.733 37 HA LYS 9 HA LYS 9 -8.641 -6.732 -4.239 38 HB2 LYS 9 1HB LYS 9 -6.000 -6.232 -2.887 39 HB3 LYS 9 2HB LYS 9 -7.050 -4.903 -3.360 40 HG2 LYS 9 1HG LYS 9 -7.655 -5.242 -1.168 41 HG3 LYS 9 2HG LYS 9 -8.863 -6.198 -2.030 42 HD2 LYS 9 1HD LYS 9 -7.715 -8.226 -1.554 43 HD3 LYS 9 2HD LYS 9 -6.299 -7.358 -0.956 44 HE2 LYS 9 1HE LYS 9 -7.387 -6.701 1.005 45 HE3 LYS 9 2HE LYS 9 -8.985 -7.027 0.336 46 HZ1 LYS 9 3HZ LYS 9 -6.953 -9.002 1.206 47 HZ2 LYS 9 1HZ LYS 9 -8.319 -9.425 0.300 48 HZ3 LYS 9 2HZ LYS 9 -8.501 -8.758 1.844 49 HA PRO 10 HA PRO 10 -7.218 -5.484 -8.213 50 HB2 PRO 10 1HB PRO 10 -8.506 -3.101 -8.406 51 HB3 PRO 10 2HB PRO 10 -9.335 -4.655 -8.546 52 HG2 PRO 10 1HG PRO 10 -9.131 -2.823 -6.187 53 HG3 PRO 10 2HG PRO 10 -10.541 -3.708 -6.798 54 HD2 PRO 10 1HD PRO 10 -9.086 -4.567 -4.682 55 HD3 PRO 10 2HD PRO 10 -9.889 -5.684 -5.805 56 H TYR 11 H TYR 11 -6.371 -3.929 -5.342 57 HA TYR 11 HA TYR 11 -4.564 -2.083 -6.757 58 HB2 TYR 11 1HB TYR 11 -5.530 -1.935 -3.894 59 HB3 TYR 11 2HB TYR 11 -4.495 -0.762 -4.700 60 HD1 TYR 11 HD1 TYR 11 -5.469 0.427 -6.771 61 HD2 TYR 11 HD2 TYR 11 -7.847 -1.678 -3.939 62 HE1 TYR 11 HE1 TYR 11 -7.454 1.667 -7.526 63 HE2 TYR 11 HE2 TYR 11 -9.839 -0.444 -4.687 64 HH TYR 11 HH TYR 11 -10.187 1.015 -7.405 65 H SER 12 H SER 12 -2.429 -2.356 -6.577 66 HA SER 12 HA SER 12 -1.360 -3.982 -4.391 67 HB2 SER 12 1HB SER 12 -0.067 -5.384 -5.863 68 HB3 SER 12 2HB SER 12 -1.749 -5.461 -6.386 69 HG SER 12 HG SER 12 -1.041 -3.652 -7.861 70 H CYS 13 H CYS 13 0.881 -3.658 -3.981 71 HA CYS 13 HA CYS 13 1.862 -1.085 -5.012 72 HB2 CYS 13 1HB CYS 13 1.535 -1.131 -2.597 73 HB3 CYS 13 2HB CYS 13 2.552 -2.562 -2.464 74 H ALA 14 H ALA 14 3.634 -1.017 -6.232 75 HA ALA 14 HA ALA 14 5.032 -3.488 -6.824 76 HB1 ALA 14 3HB ALA 14 5.746 -0.829 -7.997 77 HB2 ALA 14 1HB ALA 14 5.866 -2.436 -8.714 78 HB3 ALA 14 2HB ALA 14 4.287 -1.675 -8.510 79 H GLU 15 H GLU 15 5.379 -2.352 -4.177 80 HA GLU 15 HA GLU 15 8.296 -1.996 -4.249 81 HB2 GLU 15 1HB GLU 15 6.428 -0.486 -2.413 82 HB3 GLU 15 2HB GLU 15 8.179 -0.343 -2.468 83 HG2 GLU 15 1HG GLU 15 6.417 0.300 -4.812 84 HG3 GLU 15 2HG GLU 15 6.873 1.489 -3.594 85 H CYS 16 H CYS 16 5.579 -2.504 -1.991 86 HA CYS 16 HA CYS 16 7.251 -4.456 -0.557 87 HB2 CYS 16 1HB CYS 16 5.885 -4.042 1.396 88 HB3 CYS 16 2HB CYS 16 6.458 -2.502 0.764 89 H LYS 17 H LYS 17 4.816 -4.282 -2.772 90 HA LYS 17 HA LYS 17 3.326 -5.779 -3.616 91 HB2 LYS 17 1HB LYS 17 5.113 -7.554 -1.989 92 HB3 LYS 17 2HB LYS 17 3.674 -8.219 -2.751 93 HG2 LYS 17 1HG LYS 17 5.376 -8.629 -4.282 94 HG3 LYS 17 2HG LYS 17 4.568 -7.193 -4.915 95 HD2 LYS 17 1HD LYS 17 6.840 -6.681 -5.088 96 HD3 LYS 17 2HD LYS 17 6.337 -5.868 -3.604 97 HE2 LYS 17 1HE LYS 17 8.279 -6.892 -2.918 98 HE3 LYS 17 2HE LYS 17 7.079 -8.106 -2.476 99 HZ1 LYS 17 3HZ LYS 17 7.879 -9.547 -3.967 100 HZ2 LYS 17 1HZ LYS 17 9.272 -8.587 -3.952 101 HZ3 LYS 17 2HZ LYS 17 8.108 -8.368 -5.159 102 H GLU 18 H GLU 18 2.440 -4.221 -1.495 103 HA GLU 18 HA GLU 18 0.911 -6.013 0.237 104 HB2 GLU 18 1HB GLU 18 2.017 -4.170 1.351 105 HB3 GLU 18 2HB GLU 18 1.265 -3.012 0.263 106 HG2 GLU 18 1HG GLU 18 -0.002 -2.825 2.182 107 HG3 GLU 18 2HG GLU 18 -0.960 -3.916 1.182 108 H THR 19 H THR 19 -1.350 -5.931 0.390 109 HA THR 19 HA THR 19 -2.661 -4.952 -2.051 110 HB THR 19 HB THR 19 -4.492 -6.523 -1.486 111 HG1 THR 19 HG1 THR 19 -4.327 -6.780 0.703 112 HG21 THR 19 3HG2 THR 19 -2.550 -7.177 -2.932 113 HG22 THR 19 1HG2 THR 19 -3.352 -8.528 -2.131 114 HG23 THR 19 2HG2 THR 19 -1.817 -7.920 -1.510 115 H PHE 20 H PHE 20 -4.355 -3.557 -1.978 116 HA PHE 20 HA PHE 20 -5.280 -2.684 0.677 117 HB2 PHE 20 1HB PHE 20 -4.710 -0.903 -1.701 118 HB3 PHE 20 2HB PHE 20 -5.371 -0.373 -0.158 119 HD1 PHE 20 HD2 PHE 20 -2.382 -1.748 -1.820 120 HD2 PHE 20 HD1 PHE 20 -3.972 0.034 1.703 121 HE1 PHE 20 HE2 PHE 20 -0.100 -1.406 -0.967 122 HE2 PHE 20 HE1 PHE 20 -1.692 0.380 2.561 123 HZ PHE 20 HZ PHE 20 0.248 -0.341 1.226 124 H SER 21 H SER 21 -7.407 -1.688 0.693 125 HA SER 21 HA SER 21 -9.200 -3.059 -1.128 126 HB2 SER 21 1HB SER 21 -10.977 -2.318 0.365 127 HB3 SER 21 2HB SER 21 -9.658 -3.007 1.312 128 HG SER 21 HG SER 21 -8.926 -0.733 1.498 129 H ASP 22 H ASP 22 -8.284 0.245 -0.299 130 HA ASP 22 HA ASP 22 -9.848 1.193 -2.611 131 HB2 ASP 22 1HB ASP 22 -10.084 3.320 -1.526 132 HB3 ASP 22 2HB ASP 22 -10.544 2.077 -0.365 133 H ASN 23 H ASN 23 -8.923 2.983 -3.826 134 HA ASN 23 HA ASN 23 -6.186 2.516 -4.455 135 HB2 ASN 23 1HB ASN 23 -6.508 3.926 -6.269 136 HB3 ASN 23 2HB ASN 23 -8.147 3.355 -5.972 137 HD21 ASN 23 1HD2 ASN 23 -6.088 6.043 -6.163 138 HD22 ASN 23 2HD2 ASN 23 -7.232 7.253 -5.703 139 H ASN 24 H ASN 24 -7.913 5.248 -2.974 140 HA ASN 24 HA ASN 24 -5.961 7.091 -2.646 141 HB2 ASN 24 1HB ASN 24 -8.416 6.990 -1.723 142 HB3 ASN 24 2HB ASN 24 -7.634 6.426 -0.250 143 HD21 ASN 24 1HD2 ASN 24 -9.009 8.681 -0.065 144 HD22 ASN 24 2HD2 ASN 24 -7.965 10.053 0.041 145 H ARG 25 H ARG 25 -6.572 4.478 -0.293 146 HA ARG 25 HA ARG 25 -4.457 4.935 1.409 147 HB2 ARG 25 1HB ARG 25 -6.019 2.519 0.644 148 HB3 ARG 25 2HB ARG 25 -4.540 2.274 1.562 149 HG2 ARG 25 1HG ARG 25 -5.542 4.095 3.133 150 HG3 ARG 25 2HG ARG 25 -7.065 3.637 2.367 151 HD2 ARG 25 1HD ARG 25 -6.864 2.308 4.318 152 HD3 ARG 25 2HD ARG 25 -6.511 1.252 2.951 153 HE ARG 25 HE ARG 25 -4.327 1.075 3.676 154 HH11 ARG 25 1HH1 ARG 25 -6.002 3.524 5.496 155 HH12 ARG 25 2HH1 ARG 25 -4.753 3.677 6.688 156 HH21 ARG 25 1HH2 ARG 25 -2.676 1.266 5.238 157 HH22 ARG 25 2HH2 ARG 25 -2.861 2.393 6.539 158 H LEU 26 H LEU 26 -4.479 2.909 -1.513 159 HA LEU 26 HA LEU 26 -1.861 1.982 -1.385 160 HB2 LEU 26 1HB LEU 26 -3.467 1.086 -2.949 161 HB3 LEU 26 2HB LEU 26 -3.556 2.631 -3.791 162 HG LEU 26 HG LEU 26 -1.085 2.286 -4.333 163 HD11 LEU 26 1HD1 LEU 26 -0.301 0.600 -2.992 164 HD12 LEU 26 2HD1 LEU 26 -0.663 -0.294 -4.468 165 HD13 LEU 26 3HD1 LEU 26 -1.789 -0.339 -3.112 166 HD21 LEU 26 3HD2 LEU 26 -3.086 1.967 -5.866 167 HD22 LEU 26 1HD2 LEU 26 -2.923 0.240 -5.545 168 HD23 LEU 26 2HD2 LEU 26 -1.602 1.123 -6.312 169 H VAL 27 H VAL 27 -3.103 4.838 -3.118 170 HA VAL 27 HA VAL 27 -0.701 5.780 -4.133 171 HB VAL 27 HB VAL 27 -3.057 7.407 -3.168 172 HG11 VAL 27 1HG1 VAL 27 -0.848 8.623 -3.502 173 HG12 VAL 27 2HG1 VAL 27 -1.021 8.239 -5.215 174 HG13 VAL 27 3HG1 VAL 27 -2.235 9.230 -4.406 175 HG21 VAL 27 3HG2 VAL 27 -3.243 7.411 -5.849 176 HG22 VAL 27 1HG2 VAL 27 -2.513 5.824 -5.600 177 HG23 VAL 27 2HG2 VAL 27 -4.046 6.222 -4.823 178 H GLN 28 H GLN 28 -2.313 6.964 -1.174 179 HA GLN 28 HA GLN 28 -0.264 8.577 -0.252 180 HB2 GLN 28 1HB GLN 28 -2.468 7.084 1.125 181 HB3 GLN 28 2HB GLN 28 -1.271 7.952 2.077 182 HG2 GLN 28 1HG GLN 28 -2.755 9.306 -0.140 183 HG3 GLN 28 2HG GLN 28 -3.462 9.138 1.466 184 HE21 GLN 28 1HE2 GLN 28 -2.701 10.367 3.131 185 HE22 GLN 28 2HE2 GLN 28 -1.549 11.638 2.928 186 H HIS 29 H HIS 29 -0.730 5.109 0.160 187 HA HIS 29 HA HIS 29 1.332 4.693 2.041 188 HB2 HIS 29 1HB HIS 29 -0.191 2.926 1.858 189 HB3 HIS 29 2HB HIS 29 -0.111 2.913 0.099 190 HD1 HIS 29 HD1 HIS 29 1.428 1.449 3.111 191 HD2 HIS 29 HD2 HIS 29 2.232 1.645 -0.960 192 HE1 HIS 29 HE1 HIS 29 3.171 -0.313 2.684 193 H GLN 30 H GLN 30 1.281 4.390 -1.501 194 HA GLN 30 HA GLN 30 3.801 3.464 -1.996 195 HB2 GLN 30 1HB GLN 30 2.216 5.549 -3.493 196 HB3 GLN 30 2HB GLN 30 3.714 4.862 -4.105 197 HG2 GLN 30 1HG GLN 30 2.432 2.595 -3.627 198 HG3 GLN 30 2HG GLN 30 1.029 3.640 -3.845 199 HE21 GLN 30 1HE2 GLN 30 0.265 3.293 -5.804 200 HE22 GLN 30 2HE2 GLN 30 1.192 3.233 -7.260 201 H LYS 31 H LYS 31 2.866 6.699 -1.017 202 HA LYS 31 HA LYS 31 5.251 8.053 -1.552 203 HB2 LYS 31 1HB LYS 31 3.378 8.549 0.768 204 HB3 LYS 31 2HB LYS 31 4.503 9.702 0.062 205 HG2 LYS 31 1HG LYS 31 3.236 9.869 -1.925 206 HG3 LYS 31 2HG LYS 31 2.250 8.469 -1.496 207 HD2 LYS 31 1HD LYS 31 0.818 10.159 -0.918 208 HD3 LYS 31 2HD LYS 31 1.675 9.948 0.611 209 HE2 LYS 31 1HE LYS 31 2.771 11.861 -1.391 210 HE3 LYS 31 2HE LYS 31 1.345 12.333 -0.467 211 HZ1 LYS 31 3HZ LYS 31 3.660 12.895 0.453 212 HZ2 LYS 31 1HZ LYS 31 3.726 11.266 0.904 213 HZ3 LYS 31 2HZ LYS 31 2.504 12.264 1.514 214 H MET 32 H MET 32 4.281 6.095 1.217 215 HA MET 32 HA MET 32 6.365 6.693 2.959 216 HB2 MET 32 1HB MET 32 4.738 4.192 2.551 217 HB3 MET 32 2HB MET 32 5.967 4.303 3.804 218 HG2 MET 32 1HG MET 32 4.777 6.280 4.716 219 HG3 MET 32 2HG MET 32 3.503 6.005 3.530 220 HE1 MET 32 3HE MET 32 2.386 6.409 5.764 221 HE2 MET 32 1HE MET 32 1.231 5.123 5.415 222 HE3 MET 32 2HE MET 32 2.053 5.169 6.974 223 H HIS 33 H HIS 33 6.497 5.177 -0.057 224 HA HIS 33 HA HIS 33 8.993 3.774 0.553 225 HB2 HIS 33 1HB HIS 33 7.189 3.741 -1.869 226 HB3 HIS 33 2HB HIS 33 8.747 2.921 -1.814 227 HD1 HIS 33 HD1 HIS 33 8.732 1.482 0.783 228 HD2 HIS 33 HD2 HIS 33 5.321 1.821 -1.565 229 HE1 HIS 33 HE1 HIS 33 7.240 -0.417 1.487 230 H THR 34 H THR 34 7.703 6.442 -1.322 231 HA THR 34 HA THR 34 10.265 6.988 -2.571 232 HB THR 34 HB THR 34 7.903 7.366 -3.612 233 HG1 THR 34 HG1 THR 34 9.212 8.244 -5.012 234 HG21 THR 34 3HG2 THR 34 7.501 8.974 -1.505 235 HG22 THR 34 1HG2 THR 34 6.717 9.226 -3.064 236 HG23 THR 34 2HG2 THR 34 8.158 10.152 -2.642 237 H VAL 35 H VAL 35 9.895 7.152 0.384 238 HA VAL 35 HA VAL 35 10.239 10.000 0.916 239 HB VAL 35 HB VAL 35 10.095 9.489 3.227 240 HG11 VAL 35 1HG1 VAL 35 8.190 7.473 2.114 241 HG12 VAL 35 2HG1 VAL 35 7.933 8.684 3.371 242 HG13 VAL 35 3HG1 VAL 35 8.028 9.174 1.679 243 HG21 VAL 35 3HG2 VAL 35 9.927 7.028 3.935 244 HG22 VAL 35 1HG2 VAL 35 10.664 6.670 2.373 245 HG23 VAL 35 2HG2 VAL 35 11.524 7.666 3.547 246 H LYS 36 H LYS 36 12.064 10.768 2.170 247 HA LYS 36 HA LYS 36 14.504 9.170 1.750 248 HB2 LYS 36 1HB LYS 36 14.215 11.171 0.208 249 HB3 LYS 36 2HB LYS 36 14.389 12.182 1.637 250 HG2 LYS 36 1HG LYS 36 16.542 12.176 0.928 251 HG3 LYS 36 2HG LYS 36 16.582 10.736 1.947 252 HD2 LYS 36 1HD LYS 36 17.533 9.879 0.058 253 HD3 LYS 36 2HD LYS 36 15.835 9.570 -0.314 254 HE2 LYS 36 1HE LYS 36 16.986 12.189 -1.117 255 HE3 LYS 36 2HE LYS 36 17.466 10.763 -2.035 256 HZ1 LYS 36 3HZ LYS 36 14.673 11.662 -1.570 257 HZ2 LYS 36 1HZ LYS 36 15.131 10.288 -2.445 258 HZ3 LYS 36 2HZ LYS 36 15.538 11.828 -3.015 259 H SER 37 H SER 37 13.118 8.948 4.098 260 HA SER 37 HA SER 37 14.520 10.680 6.009 261 HB2 SER 37 1HB SER 37 12.026 10.478 6.165 262 HB3 SER 37 2HB SER 37 12.236 8.769 6.549 263 HG SER 37 HG SER 37 13.467 9.433 8.377 264 H GLY 38 H GLY 38 15.997 8.668 4.682 265 HA2 GLY 38 1HA GLY 38 17.577 7.568 6.544 266 HA3 GLY 38 2HA GLY 38 16.238 6.430 6.520 267 HA PRO 39 HA PRO 39 18.303 4.284 3.290 268 HB2 PRO 39 1HB PRO 39 16.189 2.954 2.225 269 HB3 PRO 39 2HB PRO 39 16.915 2.518 3.777 270 HG2 PRO 39 1HG PRO 39 14.454 4.130 3.224 271 HG3 PRO 39 2HG PRO 39 14.716 2.869 4.443 272 HD2 PRO 39 1HD PRO 39 14.803 5.510 5.036 273 HD3 PRO 39 2HD PRO 39 15.800 4.308 5.880 274 H SER 40 H SER 40 18.274 3.981 0.929 275 HA SER 40 HA SER 40 17.422 6.434 -0.388 276 HB2 SER 40 1HB SER 40 18.923 5.842 -2.152 277 HB3 SER 40 2HB SER 40 19.753 5.470 -0.641 278 HG SER 40 HG SER 40 18.735 3.267 -1.040 279 H SER 41 H SER 41 16.195 6.477 -2.304 280 HA SER 41 HA SER 41 14.748 4.014 -2.979 281 HB2 SER 41 1HB SER 41 13.543 6.673 -2.228 282 HB3 SER 41 2HB SER 41 12.662 5.499 -3.206 283 HG SER 41 HG SER 41 12.681 5.547 -0.657 284 H GLY 42 H GLY 42 15.121 3.629 -5.055 285 HA2 GLY 42 1HA GLY 42 15.806 4.051 -7.238 286 HA3 GLY 42 2HA GLY 42 14.308 4.970 -7.222 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -5.788 -27.672 4.902 2 HA2 GLY 1 1HA GLY 1 -6.063 -25.912 3.257 3 HA3 GLY 1 2HA GLY 1 -7.589 -26.775 3.377 4 H SER 2 H SER 2 -6.116 -23.778 3.514 5 HA SER 2 HA SER 2 -8.060 -22.545 5.280 6 HB2 SER 2 1HB SER 2 -5.643 -21.817 5.149 7 HB3 SER 2 2HB SER 2 -6.000 -21.163 3.551 8 HG SER 2 HG SER 2 -7.242 -20.416 5.993 9 H SER 3 H SER 3 -10.035 -22.136 4.559 10 HA SER 3 HA SER 3 -10.376 -21.360 1.738 11 HB2 SER 3 1HB SER 3 -12.105 -22.924 3.624 12 HB3 SER 3 2HB SER 3 -12.848 -22.040 2.291 13 HG SER 3 HG SER 3 -12.350 -24.143 1.642 14 H GLY 4 H GLY 4 -10.330 -19.181 1.727 15 HA2 GLY 4 1HA GLY 4 -12.533 -17.771 2.916 16 HA3 GLY 4 2HA GLY 4 -10.997 -17.392 3.681 17 H SER 5 H SER 5 -10.011 -15.660 2.910 18 HA SER 5 HA SER 5 -10.847 -14.533 0.375 19 HB2 SER 5 1HB SER 5 -9.515 -12.592 1.022 20 HB3 SER 5 2HB SER 5 -10.541 -13.090 2.367 21 HG SER 5 HG SER 5 -8.143 -12.631 2.692 22 H SER 6 H SER 6 -9.868 -14.945 -1.481 23 HA SER 6 HA SER 6 -7.558 -16.540 -1.701 24 HB2 SER 6 1HB SER 6 -9.265 -16.402 -3.472 25 HB3 SER 6 2HB SER 6 -8.811 -14.725 -3.778 26 HG SER 6 HG SER 6 -7.363 -15.508 -5.068 27 H GLY 7 H GLY 7 -7.995 -13.085 -2.500 28 HA2 GLY 7 1HA GLY 7 -6.366 -11.487 -1.607 29 HA3 GLY 7 2HA GLY 7 -5.131 -12.707 -1.877 30 H GLU 8 H GLU 8 -7.722 -11.275 -3.869 31 HA GLU 8 HA GLU 8 -5.674 -10.703 -5.911 32 HB2 GLU 8 1HB GLU 8 -8.572 -11.443 -6.357 33 HB3 GLU 8 2HB GLU 8 -7.411 -11.047 -7.616 34 HG2 GLU 8 1HG GLU 8 -6.102 -12.998 -7.088 35 HG3 GLU 8 2HG GLU 8 -7.151 -13.369 -5.721 36 H LYS 9 H LYS 9 -6.266 -8.876 -3.899 37 HA LYS 9 HA LYS 9 -8.252 -7.019 -4.349 38 HB2 LYS 9 1HB LYS 9 -5.486 -6.826 -3.224 39 HB3 LYS 9 2HB LYS 9 -6.416 -5.354 -3.474 40 HG2 LYS 9 1HG LYS 9 -7.469 -7.689 -1.906 41 HG3 LYS 9 2HG LYS 9 -6.532 -6.384 -1.174 42 HD2 LYS 9 1HD LYS 9 -8.187 -4.759 -1.921 43 HD3 LYS 9 2HD LYS 9 -9.109 -6.041 -2.709 44 HE2 LYS 9 1HE LYS 9 -8.481 -6.336 0.182 45 HE3 LYS 9 2HE LYS 9 -9.714 -5.164 -0.283 46 HZ1 LYS 9 3HZ LYS 9 -11.079 -6.912 -0.238 47 HZ2 LYS 9 1HZ LYS 9 -9.819 -8.041 -0.294 48 HZ3 LYS 9 2HZ LYS 9 -10.393 -7.342 -1.723 49 HA PRO 10 HA PRO 10 -7.366 -5.071 -8.189 50 HB2 PRO 10 1HB PRO 10 -8.462 -2.627 -7.741 51 HB3 PRO 10 2HB PRO 10 -9.431 -4.081 -8.005 52 HG2 PRO 10 1HG PRO 10 -8.702 -2.732 -5.435 53 HG3 PRO 10 2HG PRO 10 -10.261 -3.410 -5.939 54 HD2 PRO 10 1HD PRO 10 -8.566 -4.724 -4.286 55 HD3 PRO 10 2HD PRO 10 -9.628 -5.568 -5.431 56 H TYR 11 H TYR 11 -6.172 -3.819 -5.202 57 HA TYR 11 HA TYR 11 -4.218 -2.169 -6.668 58 HB2 TYR 11 1HB TYR 11 -5.150 -1.789 -3.816 59 HB3 TYR 11 2HB TYR 11 -4.044 -0.747 -4.704 60 HD1 TYR 11 HD1 TYR 11 -4.919 0.543 -6.686 61 HD2 TYR 11 HD2 TYR 11 -7.486 -1.497 -3.975 62 HE1 TYR 11 HE1 TYR 11 -6.817 1.892 -7.478 63 HE2 TYR 11 HE2 TYR 11 -9.392 -0.155 -4.760 64 HH TYR 11 HH TYR 11 -8.958 2.506 -7.020 65 H SER 12 H SER 12 -2.190 -2.852 -6.596 66 HA SER 12 HA SER 12 -1.234 -4.305 -4.242 67 HB2 SER 12 1HB SER 12 -0.254 -6.077 -5.550 68 HB3 SER 12 2HB SER 12 -1.962 -5.971 -5.973 69 HG SER 12 HG SER 12 -0.868 -4.390 -7.654 70 H CYS 13 H CYS 13 0.562 -3.376 -3.545 71 HA CYS 13 HA CYS 13 1.946 -1.400 -5.033 72 HB2 CYS 13 1HB CYS 13 1.739 -1.656 -2.473 73 HB3 CYS 13 2HB CYS 13 3.077 -2.791 -2.616 74 H ALA 14 H ALA 14 3.571 -1.579 -6.429 75 HA ALA 14 HA ALA 14 4.650 -4.198 -7.027 76 HB1 ALA 14 3HB ALA 14 5.760 -3.055 -8.907 77 HB2 ALA 14 1HB ALA 14 4.020 -2.764 -8.870 78 HB3 ALA 14 2HB ALA 14 5.136 -1.515 -8.315 79 H GLU 15 H GLU 15 5.337 -2.714 -4.498 80 HA GLU 15 HA GLU 15 8.263 -2.837 -4.811 81 HB2 GLU 15 1HB GLU 15 6.613 -0.861 -3.244 82 HB3 GLU 15 2HB GLU 15 8.320 -1.125 -2.916 83 HG2 GLU 15 1HG GLU 15 8.713 -0.601 -5.370 84 HG3 GLU 15 2HG GLU 15 7.051 -0.016 -5.396 85 H CYS 16 H CYS 16 5.770 -2.746 -2.258 86 HA CYS 16 HA CYS 16 7.321 -4.732 -0.758 87 HB2 CYS 16 1HB CYS 16 5.921 -4.099 1.162 88 HB3 CYS 16 2HB CYS 16 6.722 -2.697 0.461 89 H LYS 17 H LYS 17 4.847 -4.644 -2.931 90 HA LYS 17 HA LYS 17 3.266 -6.135 -3.600 91 HB2 LYS 17 1HB LYS 17 5.083 -7.795 -1.920 92 HB3 LYS 17 2HB LYS 17 3.534 -8.487 -2.382 93 HG2 LYS 17 1HG LYS 17 5.389 -7.291 -4.411 94 HG3 LYS 17 2HG LYS 17 5.545 -8.965 -3.874 95 HD2 LYS 17 1HD LYS 17 3.558 -9.603 -4.844 96 HD3 LYS 17 2HD LYS 17 2.876 -7.976 -4.767 97 HE2 LYS 17 1HE LYS 17 3.299 -8.167 -7.016 98 HE3 LYS 17 2HE LYS 17 4.795 -7.420 -6.458 99 HZ1 LYS 17 3HZ LYS 17 4.320 -10.226 -7.240 100 HZ2 LYS 17 1HZ LYS 17 5.630 -9.810 -6.254 101 HZ3 LYS 17 2HZ LYS 17 5.498 -9.153 -7.807 102 H GLU 18 H GLU 18 2.480 -4.337 -1.657 103 HA GLU 18 HA GLU 18 0.887 -5.882 0.255 104 HB2 GLU 18 1HB GLU 18 2.256 -3.933 1.040 105 HB3 GLU 18 2HB GLU 18 1.219 -2.885 0.082 106 HG2 GLU 18 1HG GLU 18 0.519 -2.836 2.378 107 HG3 GLU 18 2HG GLU 18 -0.717 -3.628 1.403 108 H THR 19 H THR 19 -1.294 -5.989 0.187 109 HA THR 19 HA THR 19 -2.589 -4.922 -2.206 110 HB THR 19 HB THR 19 -4.497 -6.405 -1.530 111 HG1 THR 19 HG1 THR 19 -3.578 -8.102 0.059 112 HG21 THR 19 3HG2 THR 19 -1.793 -7.703 -1.883 113 HG22 THR 19 1HG2 THR 19 -2.887 -7.183 -3.165 114 HG23 THR 19 2HG2 THR 19 -3.341 -8.518 -2.105 115 H PHE 20 H PHE 20 -4.317 -3.541 -2.168 116 HA PHE 20 HA PHE 20 -5.198 -2.553 0.458 117 HB2 PHE 20 1HB PHE 20 -4.560 -0.842 -1.954 118 HB3 PHE 20 2HB PHE 20 -5.220 -0.258 -0.430 119 HD1 PHE 20 HD2 PHE 20 -2.249 -1.648 -2.081 120 HD2 PHE 20 HD1 PHE 20 -3.835 0.047 1.487 121 HE1 PHE 20 HE2 PHE 20 0.034 -1.349 -1.213 122 HE2 PHE 20 HE1 PHE 20 -1.554 0.349 2.360 123 HZ PHE 20 HZ PHE 20 0.383 -0.350 1.011 124 H SER 21 H SER 21 -7.337 -1.899 0.607 125 HA SER 21 HA SER 21 -9.114 -3.093 -1.310 126 HB2 SER 21 1HB SER 21 -9.622 -3.196 1.086 127 HB3 SER 21 2HB SER 21 -9.707 -1.435 1.155 128 HG SER 21 HG SER 21 -11.563 -3.250 0.276 129 H ASP 22 H ASP 22 -8.188 0.174 -0.375 130 HA ASP 22 HA ASP 22 -9.780 1.205 -2.631 131 HB2 ASP 22 1HB ASP 22 -10.307 1.938 -0.185 132 HB3 ASP 22 2HB ASP 22 -8.865 2.935 -0.356 133 H ASN 23 H ASN 23 -8.867 3.233 -3.602 134 HA ASN 23 HA ASN 23 -6.138 2.758 -4.342 135 HB2 ASN 23 1HB ASN 23 -7.267 3.570 -6.164 136 HB3 ASN 23 2HB ASN 23 -8.304 4.611 -5.193 137 HD21 ASN 23 1HD2 ASN 23 -5.388 4.351 -6.977 138 HD22 ASN 23 2HD2 ASN 23 -4.890 5.999 -6.829 139 H ASN 24 H ASN 24 -7.840 5.416 -2.695 140 HA ASN 24 HA ASN 24 -5.898 7.217 -2.230 141 HB2 ASN 24 1HB ASN 24 -8.247 7.284 -1.330 142 HB3 ASN 24 2HB ASN 24 -7.714 6.232 -0.022 143 HD21 ASN 24 1HD2 ASN 24 -5.732 7.058 1.156 144 HD22 ASN 24 2HD2 ASN 24 -5.712 8.745 1.531 145 H ARG 25 H ARG 25 -6.454 4.442 -0.052 146 HA ARG 25 HA ARG 25 -4.304 4.776 1.629 147 HB2 ARG 25 1HB ARG 25 -5.534 2.211 0.613 148 HB3 ARG 25 2HB ARG 25 -4.387 2.288 1.944 149 HG2 ARG 25 1HG ARG 25 -6.005 3.858 3.081 150 HG3 ARG 25 2HG ARG 25 -7.167 3.414 1.830 151 HD2 ARG 25 1HD ARG 25 -6.634 0.986 2.503 152 HD3 ARG 25 2HD ARG 25 -5.938 1.697 3.958 153 HE ARG 25 HE ARG 25 -8.712 1.398 3.351 154 HH11 ARG 25 1HH1 ARG 25 -6.400 3.379 5.038 155 HH12 ARG 25 2HH1 ARG 25 -7.549 3.965 6.195 156 HH21 ARG 25 1HH2 ARG 25 -10.235 2.162 4.867 157 HH22 ARG 25 2HH2 ARG 25 -9.731 3.271 6.097 158 H LEU 26 H LEU 26 -4.376 3.058 -1.476 159 HA LEU 26 HA LEU 26 -1.700 2.184 -1.427 160 HB2 LEU 26 1HB LEU 26 -3.309 1.203 -2.927 161 HB3 LEU 26 2HB LEU 26 -3.550 2.749 -3.737 162 HG LEU 26 HG LEU 26 -1.049 2.558 -4.356 163 HD11 LEU 26 1HD1 LEU 26 -1.392 0.159 -2.881 164 HD12 LEU 26 2HD1 LEU 26 0.053 0.755 -3.696 165 HD13 LEU 26 3HD1 LEU 26 -1.090 -0.269 -4.565 166 HD21 LEU 26 3HD2 LEU 26 -1.776 0.818 -6.200 167 HD22 LEU 26 1HD2 LEU 26 -2.435 2.454 -6.170 168 HD23 LEU 26 2HD2 LEU 26 -3.376 1.113 -5.517 169 H VAL 27 H VAL 27 -3.155 4.917 -3.201 170 HA VAL 27 HA VAL 27 -0.875 6.020 -4.271 171 HB VAL 27 HB VAL 27 -3.270 7.503 -3.178 172 HG11 VAL 27 1HG1 VAL 27 -2.066 9.338 -3.587 173 HG12 VAL 27 2HG1 VAL 27 -0.813 8.428 -4.432 174 HG13 VAL 27 3HG1 VAL 27 -2.261 8.949 -5.295 175 HG21 VAL 27 3HG2 VAL 27 -3.074 5.697 -5.302 176 HG22 VAL 27 1HG2 VAL 27 -4.401 6.808 -4.962 177 HG23 VAL 27 2HG2 VAL 27 -3.099 7.295 -6.047 178 H GLN 28 H GLN 28 -2.344 6.869 -1.134 179 HA GLN 28 HA GLN 28 -0.310 8.643 -0.338 180 HB2 GLN 28 1HB GLN 28 -2.275 7.037 1.299 181 HB3 GLN 28 2HB GLN 28 -1.232 8.287 1.965 182 HG2 GLN 28 1HG GLN 28 -3.005 8.951 -0.332 183 HG3 GLN 28 2HG GLN 28 -3.697 8.816 1.283 184 HE21 GLN 28 1HE2 GLN 28 -3.208 11.111 -0.601 185 HE22 GLN 28 2HE2 GLN 28 -2.387 12.287 0.361 186 H HIS 29 H HIS 29 -0.734 5.174 0.124 187 HA HIS 29 HA HIS 29 1.331 4.738 1.960 188 HB2 HIS 29 1HB HIS 29 -0.122 2.930 1.651 189 HB3 HIS 29 2HB HIS 29 0.004 3.005 -0.104 190 HD1 HIS 29 HD1 HIS 29 2.215 2.141 2.867 191 HD2 HIS 29 HD2 HIS 29 1.718 1.186 -1.146 192 HE1 HIS 29 HE1 HIS 29 3.855 0.291 2.408 193 H GLN 30 H GLN 30 1.370 4.644 -1.592 194 HA GLN 30 HA GLN 30 3.997 3.867 -1.986 195 HB2 GLN 30 1HB GLN 30 2.277 5.746 -3.608 196 HB3 GLN 30 2HB GLN 30 3.833 5.134 -4.154 197 HG2 GLN 30 1HG GLN 30 2.965 2.842 -4.001 198 HG3 GLN 30 2HG GLN 30 1.399 3.485 -3.510 199 HE21 GLN 30 1HE2 GLN 30 1.517 1.879 -5.669 200 HE22 GLN 30 2HE2 GLN 30 1.259 2.786 -7.116 201 H LYS 31 H LYS 31 2.706 6.987 -1.081 202 HA LYS 31 HA LYS 31 5.039 8.512 -1.591 203 HB2 LYS 31 1HB LYS 31 2.698 8.972 0.261 204 HB3 LYS 31 2HB LYS 31 3.978 10.151 0.008 205 HG2 LYS 31 1HG LYS 31 3.352 9.826 -2.516 206 HG3 LYS 31 2HG LYS 31 1.821 9.265 -1.839 207 HD2 LYS 31 1HD LYS 31 1.626 11.371 -0.583 208 HD3 LYS 31 2HD LYS 31 3.136 11.930 -1.307 209 HE2 LYS 31 1HE LYS 31 2.131 11.816 -3.521 210 HE3 LYS 31 2HE LYS 31 0.634 11.198 -2.826 211 HZ1 LYS 31 3HZ LYS 31 1.221 13.540 -1.473 212 HZ2 LYS 31 1HZ LYS 31 -0.019 13.286 -2.595 213 HZ3 LYS 31 2HZ LYS 31 1.479 13.878 -3.111 214 H MET 32 H MET 32 4.051 6.455 1.028 215 HA MET 32 HA MET 32 5.900 7.463 2.956 216 HB2 MET 32 1HB MET 32 4.150 6.336 3.961 217 HB3 MET 32 2HB MET 32 4.132 5.064 2.747 218 HG2 MET 32 1HG MET 32 4.903 4.113 4.776 219 HG3 MET 32 2HG MET 32 6.284 4.236 3.688 220 HE1 MET 32 3HE MET 32 5.959 4.607 7.566 221 HE2 MET 32 1HE MET 32 5.409 6.283 7.585 222 HE3 MET 32 2HE MET 32 4.503 5.068 6.683 223 H HIS 33 H HIS 33 6.072 5.192 0.346 224 HA HIS 33 HA HIS 33 8.327 3.718 1.200 225 HB2 HIS 33 1HB HIS 33 6.908 4.144 -1.380 226 HB3 HIS 33 2HB HIS 33 8.549 3.509 -1.456 227 HD1 HIS 33 HD1 HIS 33 8.945 1.215 -0.116 228 HD2 HIS 33 HD2 HIS 33 4.988 2.302 -0.763 229 HE1 HIS 33 HE1 HIS 33 7.601 -0.874 0.276 230 H THR 34 H THR 34 7.961 6.742 -0.555 231 HA THR 34 HA THR 34 10.479 7.133 -1.577 232 HB THR 34 HB THR 34 10.103 9.530 -1.399 233 HG1 THR 34 HG1 THR 34 7.925 9.992 -0.263 234 HG21 THR 34 3HG2 THR 34 8.866 8.794 -3.187 235 HG22 THR 34 1HG2 THR 34 7.585 9.490 -2.194 236 HG23 THR 34 2HG2 THR 34 7.853 7.746 -2.194 237 H VAL 35 H VAL 35 12.356 6.787 -0.580 238 HA VAL 35 HA VAL 35 12.741 7.957 2.098 239 HB VAL 35 HB VAL 35 12.639 5.519 2.279 240 HG11 VAL 35 1HG1 VAL 35 14.146 4.062 1.158 241 HG12 VAL 35 2HG1 VAL 35 13.436 5.109 -0.072 242 HG13 VAL 35 3HG1 VAL 35 15.073 5.414 0.509 243 HG21 VAL 35 3HG2 VAL 35 15.392 5.513 2.826 244 HG22 VAL 35 1HG2 VAL 35 14.847 7.172 3.070 245 HG23 VAL 35 2HG2 VAL 35 14.072 5.852 3.946 246 H LYS 36 H LYS 36 14.225 9.498 2.103 247 HA LYS 36 HA LYS 36 16.322 9.447 0.035 248 HB2 LYS 36 1HB LYS 36 16.450 11.874 0.272 249 HB3 LYS 36 2HB LYS 36 14.812 11.375 -0.128 250 HG2 LYS 36 1HG LYS 36 14.450 11.443 2.446 251 HG3 LYS 36 2HG LYS 36 15.886 12.470 2.430 252 HD2 LYS 36 1HD LYS 36 14.023 13.927 2.299 253 HD3 LYS 36 2HD LYS 36 14.718 13.865 0.678 254 HE2 LYS 36 1HE LYS 36 12.993 12.497 -0.128 255 HE3 LYS 36 2HE LYS 36 12.469 12.053 1.496 256 HZ1 LYS 36 3HZ LYS 36 11.843 14.417 -0.073 257 HZ2 LYS 36 1HZ LYS 36 12.113 14.681 1.576 258 HZ3 LYS 36 2HZ LYS 36 10.909 13.602 1.079 259 H SER 37 H SER 37 18.455 9.890 0.605 260 HA SER 37 HA SER 37 19.112 9.243 3.358 261 HB2 SER 37 1HB SER 37 20.814 9.581 0.881 262 HB3 SER 37 2HB SER 37 21.473 9.205 2.473 263 HG SER 37 HG SER 37 21.148 7.295 1.346 264 H GLY 38 H GLY 38 19.926 11.819 1.030 265 HA2 GLY 38 1HA GLY 38 20.012 13.726 3.243 266 HA3 GLY 38 2HA GLY 38 21.490 13.520 2.314 267 HA PRO 39 HA PRO 39 19.134 16.939 0.322 268 HB2 PRO 39 1HB PRO 39 21.332 18.453 -0.177 269 HB3 PRO 39 2HB PRO 39 20.466 18.496 1.363 270 HG2 PRO 39 1HG PRO 39 22.972 17.027 0.640 271 HG3 PRO 39 2HG PRO 39 22.597 17.943 2.111 272 HD2 PRO 39 1HD PRO 39 22.464 15.240 2.003 273 HD3 PRO 39 2HD PRO 39 21.390 16.209 3.033 274 H SER 40 H SER 40 18.599 16.640 -1.739 275 HA SER 40 HA SER 40 20.595 16.459 -3.800 276 HB2 SER 40 1HB SER 40 18.999 14.058 -2.978 277 HB3 SER 40 2HB SER 40 19.423 14.278 -4.675 278 HG SER 40 HG SER 40 21.459 14.604 -2.808 279 H SER 41 H SER 41 19.740 16.753 -5.900 280 HA SER 41 HA SER 41 16.876 17.132 -6.198 281 HB2 SER 41 1HB SER 41 18.855 19.400 -6.483 282 HB3 SER 41 2HB SER 41 17.216 19.450 -7.130 283 HG SER 41 HG SER 41 16.484 19.082 -4.956 284 H GLY 42 H GLY 42 16.208 17.353 -8.408 285 HA2 GLY 42 1HA GLY 42 17.884 15.856 -10.201 286 HA3 GLY 42 2HA GLY 42 16.278 16.480 -10.548 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.478 -25.541 7.085 2 HA2 GLY 1 1HA GLY 1 2.778 -24.006 8.870 3 HA3 GLY 1 2HA GLY 1 4.007 -23.239 7.874 4 H SER 2 H SER 2 3.153 -21.197 8.534 5 HA SER 2 HA SER 2 0.594 -20.511 7.244 6 HB2 SER 2 1HB SER 2 0.807 -20.266 9.785 7 HB3 SER 2 2HB SER 2 1.902 -18.924 9.452 8 HG SER 2 HG SER 2 -0.639 -19.026 8.245 9 H SER 3 H SER 3 0.494 -18.805 5.854 10 HA SER 3 HA SER 3 3.073 -17.630 5.076 11 HB2 SER 3 1HB SER 3 0.554 -18.247 3.569 12 HB3 SER 3 2HB SER 3 1.645 -16.997 2.973 13 HG SER 3 HG SER 3 2.329 -18.862 2.045 14 H GLY 4 H GLY 4 -0.334 -16.804 5.639 15 HA2 GLY 4 1HA GLY 4 -1.026 -14.865 6.812 16 HA3 GLY 4 2HA GLY 4 0.524 -14.122 6.447 17 H SER 5 H SER 5 -1.930 -15.635 4.361 18 HA SER 5 HA SER 5 -1.918 -13.180 2.742 19 HB2 SER 5 1HB SER 5 -2.558 -16.049 2.050 20 HB3 SER 5 2HB SER 5 -2.944 -14.705 0.975 21 HG SER 5 HG SER 5 -0.496 -14.271 1.553 22 H SER 6 H SER 6 -3.590 -11.877 3.026 23 HA SER 6 HA SER 6 -6.140 -13.011 3.946 24 HB2 SER 6 1HB SER 6 -4.804 -10.364 4.306 25 HB3 SER 6 2HB SER 6 -6.567 -10.417 4.310 26 HG SER 6 HG SER 6 -6.467 -11.905 6.010 27 H GLY 7 H GLY 7 -6.788 -13.715 1.852 28 HA2 GLY 7 1HA GLY 7 -7.842 -13.504 -0.177 29 HA3 GLY 7 2HA GLY 7 -8.490 -12.010 0.483 30 H GLU 8 H GLU 8 -8.381 -11.354 -1.811 31 HA GLU 8 HA GLU 8 -5.718 -10.256 -2.420 32 HB2 GLU 8 1HB GLU 8 -6.218 -10.574 -4.831 33 HB3 GLU 8 2HB GLU 8 -6.079 -12.087 -3.947 34 HG2 GLU 8 1HG GLU 8 -8.531 -12.219 -3.830 35 HG3 GLU 8 2HG GLU 8 -8.636 -10.739 -4.781 36 H LYS 9 H LYS 9 -5.790 -8.355 -3.862 37 HA LYS 9 HA LYS 9 -8.324 -6.897 -3.839 38 HB2 LYS 9 1HB LYS 9 -5.747 -5.745 -2.755 39 HB3 LYS 9 2HB LYS 9 -7.273 -4.886 -2.922 40 HG2 LYS 9 1HG LYS 9 -6.920 -7.323 -1.195 41 HG3 LYS 9 2HG LYS 9 -6.732 -5.669 -0.609 42 HD2 LYS 9 1HD LYS 9 -9.071 -5.241 -1.494 43 HD3 LYS 9 2HD LYS 9 -9.211 -6.990 -1.693 44 HE2 LYS 9 1HE LYS 9 -8.476 -7.089 0.784 45 HE3 LYS 9 2HE LYS 9 -8.932 -5.387 0.824 46 HZ1 LYS 9 3HZ LYS 9 -11.119 -5.871 0.625 47 HZ2 LYS 9 1HZ LYS 9 -10.636 -7.320 1.353 48 HZ3 LYS 9 2HZ LYS 9 -10.862 -7.250 -0.321 49 HA PRO 10 HA PRO 10 -7.081 -5.605 -7.848 50 HB2 PRO 10 1HB PRO 10 -8.380 -3.229 -8.035 51 HB3 PRO 10 2HB PRO 10 -9.212 -4.786 -8.105 52 HG2 PRO 10 1HG PRO 10 -8.909 -2.903 -5.798 53 HG3 PRO 10 2HG PRO 10 -10.342 -3.803 -6.327 54 HD2 PRO 10 1HD PRO 10 -8.794 -4.615 -4.259 55 HD3 PRO 10 2HD PRO 10 -9.643 -5.756 -5.321 56 H TYR 11 H TYR 11 -6.175 -3.915 -5.047 57 HA TYR 11 HA TYR 11 -4.336 -2.211 -6.596 58 HB2 TYR 11 1HB TYR 11 -5.472 -1.748 -3.831 59 HB3 TYR 11 2HB TYR 11 -4.288 -0.714 -4.623 60 HD1 TYR 11 HD1 TYR 11 -4.959 0.457 -6.771 61 HD2 TYR 11 HD2 TYR 11 -7.773 -1.466 -4.224 62 HE1 TYR 11 HE1 TYR 11 -6.776 1.744 -7.816 63 HE2 TYR 11 HE2 TYR 11 -9.598 -0.185 -5.263 64 HH TYR 11 HH TYR 11 -8.952 2.350 -7.621 65 H SER 12 H SER 12 -2.445 -3.257 -6.675 66 HA SER 12 HA SER 12 -1.322 -4.242 -4.136 67 HB2 SER 12 1HB SER 12 -0.819 -5.461 -6.859 68 HB3 SER 12 2HB SER 12 -0.258 -6.071 -5.302 69 HG SER 12 HG SER 12 -2.218 -6.810 -4.861 70 H CYS 13 H CYS 13 0.606 -3.442 -3.593 71 HA CYS 13 HA CYS 13 1.838 -1.462 -5.275 72 HB2 CYS 13 1HB CYS 13 1.674 -1.278 -2.778 73 HB3 CYS 13 2HB CYS 13 2.850 -2.582 -2.656 74 H ALA 14 H ALA 14 3.470 -1.735 -6.649 75 HA ALA 14 HA ALA 14 4.636 -4.365 -6.965 76 HB1 ALA 14 3HB ALA 14 5.654 -2.148 -8.613 77 HB2 ALA 14 1HB ALA 14 5.103 -3.756 -9.083 78 HB3 ALA 14 2HB ALA 14 3.928 -2.480 -8.758 79 H GLU 15 H GLU 15 5.274 -2.589 -4.617 80 HA GLU 15 HA GLU 15 8.202 -2.590 -4.951 81 HB2 GLU 15 1HB GLU 15 7.523 -0.303 -4.798 82 HB3 GLU 15 2HB GLU 15 6.458 -0.646 -3.442 83 HG2 GLU 15 1HG GLU 15 8.199 0.251 -2.311 84 HG3 GLU 15 2HG GLU 15 8.723 -1.432 -2.330 85 H CYS 16 H CYS 16 5.649 -2.641 -2.461 86 HA CYS 16 HA CYS 16 7.361 -4.417 -0.857 87 HB2 CYS 16 1HB CYS 16 5.986 -3.733 1.068 88 HB3 CYS 16 2HB CYS 16 6.734 -2.347 0.281 89 H LYS 17 H LYS 17 4.798 -4.499 -2.940 90 HA LYS 17 HA LYS 17 3.252 -6.074 -3.487 91 HB2 LYS 17 1HB LYS 17 5.180 -7.598 -1.800 92 HB3 LYS 17 2HB LYS 17 3.642 -8.360 -2.184 93 HG2 LYS 17 1HG LYS 17 5.461 -7.214 -4.282 94 HG3 LYS 17 2HG LYS 17 5.562 -8.886 -3.725 95 HD2 LYS 17 1HD LYS 17 3.358 -9.359 -4.493 96 HD3 LYS 17 2HD LYS 17 3.031 -7.651 -4.797 97 HE2 LYS 17 1HE LYS 17 4.320 -7.609 -6.708 98 HE3 LYS 17 2HE LYS 17 5.305 -8.980 -6.201 99 HZ1 LYS 17 3HZ LYS 17 4.026 -10.043 -7.701 100 HZ2 LYS 17 1HZ LYS 17 2.747 -8.942 -7.582 101 HZ3 LYS 17 2HZ LYS 17 2.935 -10.148 -6.412 102 H GLU 18 H GLU 18 2.367 -4.235 -1.710 103 HA GLU 18 HA GLU 18 0.923 -5.742 0.357 104 HB2 GLU 18 1HB GLU 18 2.285 -3.689 0.969 105 HB3 GLU 18 2HB GLU 18 1.093 -2.742 0.090 106 HG2 GLU 18 1HG GLU 18 0.261 -2.567 2.197 107 HG3 GLU 18 2HG GLU 18 -0.592 -4.011 1.655 108 H THR 19 H THR 19 -1.263 -5.878 0.377 109 HA THR 19 HA THR 19 -2.649 -4.994 -2.035 110 HB THR 19 HB THR 19 -4.537 -6.407 -1.125 111 HG1 THR 19 HG1 THR 19 -2.673 -7.628 0.581 112 HG21 THR 19 3HG2 THR 19 -2.632 -8.485 -1.242 113 HG22 THR 19 1HG2 THR 19 -2.047 -7.200 -2.298 114 HG23 THR 19 2HG2 THR 19 -3.656 -7.881 -2.544 115 H PHE 20 H PHE 20 -4.430 -3.661 -2.044 116 HA PHE 20 HA PHE 20 -5.277 -2.493 0.508 117 HB2 PHE 20 1HB PHE 20 -4.605 -0.855 -1.945 118 HB3 PHE 20 2HB PHE 20 -5.176 -0.237 -0.399 119 HD1 PHE 20 HD2 PHE 20 -2.332 -1.681 -2.197 120 HD2 PHE 20 HD1 PHE 20 -3.702 -0.048 1.487 121 HE1 PHE 20 HE2 PHE 20 -0.004 -1.469 -1.429 122 HE2 PHE 20 HE1 PHE 20 -1.376 0.168 2.260 123 HZ PHE 20 HZ PHE 20 0.476 -0.544 0.802 124 H SER 21 H SER 21 -7.408 -1.867 0.606 125 HA SER 21 HA SER 21 -9.195 -3.119 -1.205 126 HB2 SER 21 1HB SER 21 -10.961 -1.902 0.115 127 HB3 SER 21 2HB SER 21 -9.859 -2.870 1.094 128 HG SER 21 HG SER 21 -9.718 -1.036 2.151 129 H ASP 22 H ASP 22 -8.508 0.313 -0.546 130 HA ASP 22 HA ASP 22 -9.714 0.965 -3.153 131 HB2 ASP 22 1HB ASP 22 -9.448 2.610 -0.634 132 HB3 ASP 22 2HB ASP 22 -9.911 3.301 -2.187 133 H ASN 23 H ASN 23 -8.757 3.095 -4.059 134 HA ASN 23 HA ASN 23 -5.942 2.630 -4.436 135 HB2 ASN 23 1HB ASN 23 -6.080 4.441 -6.084 136 HB3 ASN 23 2HB ASN 23 -7.375 3.273 -6.326 137 HD21 ASN 23 1HD2 ASN 23 -7.200 6.063 -7.139 138 HD22 ASN 23 2HD2 ASN 23 -8.563 6.854 -6.431 139 H ASN 24 H ASN 24 -7.941 5.209 -3.048 140 HA ASN 24 HA ASN 24 -6.168 7.168 -2.496 141 HB2 ASN 24 1HB ASN 24 -8.449 6.059 -0.905 142 HB3 ASN 24 2HB ASN 24 -7.442 7.318 -0.195 143 HD21 ASN 24 1HD2 ASN 24 -8.215 9.270 -0.455 144 HD22 ASN 24 2HD2 ASN 24 -9.148 9.833 -1.796 145 H ARG 25 H ARG 25 -6.557 4.192 -0.601 146 HA ARG 25 HA ARG 25 -4.621 4.798 1.353 147 HB2 ARG 25 1HB ARG 25 -5.913 2.273 0.389 148 HB3 ARG 25 2HB ARG 25 -4.558 2.183 1.506 149 HG2 ARG 25 1HG ARG 25 -5.803 3.635 3.072 150 HG3 ARG 25 2HG ARG 25 -7.179 3.588 1.968 151 HD2 ARG 25 1HD ARG 25 -7.556 1.318 2.343 152 HD3 ARG 25 2HD ARG 25 -5.935 1.060 2.986 153 HE ARG 25 HE ARG 25 -6.964 2.719 4.804 154 HH11 ARG 25 1HH1 ARG 25 -8.273 -0.145 3.321 155 HH12 ARG 25 2HH1 ARG 25 -9.231 -0.578 4.698 156 HH21 ARG 25 1HH2 ARG 25 -8.221 2.160 6.623 157 HH22 ARG 25 2HH2 ARG 25 -9.202 0.734 6.575 158 H LEU 26 H LEU 26 -4.412 3.121 -1.752 159 HA LEU 26 HA LEU 26 -1.721 2.298 -1.501 160 HB2 LEU 26 1HB LEU 26 -3.336 1.366 -3.124 161 HB3 LEU 26 2HB LEU 26 -3.276 2.885 -4.016 162 HG LEU 26 HG LEU 26 -0.843 2.467 -4.411 163 HD11 LEU 26 1HD1 LEU 26 -0.979 -0.380 -3.974 164 HD12 LEU 26 2HD1 LEU 26 -1.193 0.508 -2.466 165 HD13 LEU 26 3HD1 LEU 26 0.241 0.783 -3.454 166 HD21 LEU 26 3HD2 LEU 26 -1.586 0.202 -5.788 167 HD22 LEU 26 1HD2 LEU 26 -1.777 1.865 -6.346 168 HD23 LEU 26 2HD2 LEU 26 -3.117 1.045 -5.543 169 H VAL 27 H VAL 27 -3.214 5.158 -2.970 170 HA VAL 27 HA VAL 27 -0.956 6.321 -4.089 171 HB VAL 27 HB VAL 27 -3.309 7.719 -2.807 172 HG11 VAL 27 1HG1 VAL 27 -2.639 9.524 -4.500 173 HG12 VAL 27 2HG1 VAL 27 -1.672 9.372 -3.032 174 HG13 VAL 27 3HG1 VAL 27 -1.078 8.706 -4.554 175 HG21 VAL 27 3HG2 VAL 27 -4.485 7.411 -4.715 176 HG22 VAL 27 1HG2 VAL 27 -3.052 7.498 -5.739 177 HG23 VAL 27 2HG2 VAL 27 -3.431 6.007 -4.877 178 H GLN 28 H GLN 28 -2.392 7.198 -0.938 179 HA GLN 28 HA GLN 28 -0.248 8.772 -0.074 180 HB2 GLN 28 1HB GLN 28 -2.245 7.224 1.587 181 HB3 GLN 28 2HB GLN 28 -1.208 8.513 2.185 182 HG2 GLN 28 1HG GLN 28 -2.303 10.028 0.507 183 HG3 GLN 28 2HG GLN 28 -3.457 8.730 0.205 184 HE21 GLN 28 1HE2 GLN 28 -3.378 11.528 1.587 185 HE22 GLN 28 2HE2 GLN 28 -4.321 11.264 3.011 186 H HIS 29 H HIS 29 -0.921 5.331 0.379 187 HA HIS 29 HA HIS 29 1.055 4.678 2.200 188 HB2 HIS 29 1HB HIS 29 -0.331 2.894 1.759 189 HB3 HIS 29 2HB HIS 29 -0.341 3.192 0.023 190 HD1 HIS 29 HD1 HIS 29 1.352 1.239 2.650 191 HD2 HIS 29 HD2 HIS 29 1.955 2.165 -1.355 192 HE1 HIS 29 HE1 HIS 29 3.080 -0.396 1.834 193 H GLN 30 H GLN 30 1.303 4.678 -1.354 194 HA GLN 30 HA GLN 30 3.891 3.856 -1.676 195 HB2 GLN 30 1HB GLN 30 2.332 5.944 -3.192 196 HB3 GLN 30 2HB GLN 30 3.924 5.397 -3.701 197 HG2 GLN 30 1HG GLN 30 3.132 3.172 -4.035 198 HG3 GLN 30 2HG GLN 30 1.575 3.563 -3.306 199 HE21 GLN 30 1HE2 GLN 30 0.874 2.605 -5.398 200 HE22 GLN 30 2HE2 GLN 30 0.698 3.671 -6.746 201 H LYS 31 H LYS 31 2.751 7.032 -0.688 202 HA LYS 31 HA LYS 31 4.984 8.589 -0.946 203 HB2 LYS 31 1HB LYS 31 3.162 8.554 1.467 204 HB3 LYS 31 2HB LYS 31 4.175 9.894 0.948 205 HG2 LYS 31 1HG LYS 31 2.181 8.830 -0.976 206 HG3 LYS 31 2HG LYS 31 1.601 9.792 0.386 207 HD2 LYS 31 1HD LYS 31 2.611 11.704 -0.360 208 HD3 LYS 31 2HD LYS 31 3.911 10.829 -1.172 209 HE2 LYS 31 1HE LYS 31 2.686 11.622 -2.958 210 HE3 LYS 31 2HE LYS 31 2.009 10.008 -2.746 211 HZ1 LYS 31 3HZ LYS 31 0.248 11.595 -3.031 212 HZ2 LYS 31 1HZ LYS 31 0.835 12.554 -1.767 213 HZ3 LYS 31 2HZ LYS 31 0.206 11.017 -1.442 214 H MET 32 H MET 32 4.406 6.042 1.386 215 HA MET 32 HA MET 32 6.447 6.605 3.210 216 HB2 MET 32 1HB MET 32 6.101 4.471 4.066 217 HB3 MET 32 2HB MET 32 4.560 4.830 3.300 218 HG2 MET 32 1HG MET 32 5.073 3.457 1.433 219 HG3 MET 32 2HG MET 32 6.746 3.273 1.952 220 HE1 MET 32 3HE MET 32 3.271 3.176 3.252 221 HE2 MET 32 1HE MET 32 2.994 1.518 3.788 222 HE3 MET 32 2HE MET 32 3.760 2.679 4.872 223 H HIS 33 H HIS 33 6.502 4.848 0.150 224 HA HIS 33 HA HIS 33 9.196 3.956 0.395 225 HB2 HIS 33 1HB HIS 33 7.432 4.259 -2.043 226 HB3 HIS 33 2HB HIS 33 8.995 3.447 -2.032 227 HD1 HIS 33 HD1 HIS 33 9.016 1.449 -0.008 228 HD2 HIS 33 HD2 HIS 33 5.420 2.486 -1.814 229 HE1 HIS 33 HE1 HIS 33 7.474 -0.495 0.398 230 H THR 34 H THR 34 7.653 6.798 -0.968 231 HA THR 34 HA THR 34 9.944 7.791 -2.326 232 HB THR 34 HB THR 34 8.733 9.905 -2.491 233 HG1 THR 34 HG1 THR 34 7.464 10.369 -0.866 234 HG21 THR 34 3HG2 THR 34 7.712 7.352 -3.327 235 HG22 THR 34 1HG2 THR 34 7.676 8.897 -4.175 236 HG23 THR 34 2HG2 THR 34 6.381 8.475 -3.055 237 H VAL 35 H VAL 35 11.767 8.140 -1.202 238 HA VAL 35 HA VAL 35 11.631 9.382 1.440 239 HB VAL 35 HB VAL 35 13.870 8.732 1.777 240 HG11 VAL 35 1HG1 VAL 35 12.199 6.883 1.739 241 HG12 VAL 35 2HG1 VAL 35 12.699 6.530 0.084 242 HG13 VAL 35 3HG1 VAL 35 13.852 6.365 1.409 243 HG21 VAL 35 3HG2 VAL 35 14.797 7.531 -0.558 244 HG22 VAL 35 1HG2 VAL 35 14.053 9.039 -1.089 245 HG23 VAL 35 2HG2 VAL 35 15.329 9.066 0.128 246 H LYS 36 H LYS 36 12.435 10.121 -1.838 247 HA LYS 36 HA LYS 36 13.536 11.918 -2.795 248 HB2 LYS 36 1HB LYS 36 11.151 12.577 -2.396 249 HB3 LYS 36 2HB LYS 36 11.668 13.367 -0.913 250 HG2 LYS 36 1HG LYS 36 13.309 14.636 -2.490 251 HG3 LYS 36 2HG LYS 36 12.172 14.141 -3.747 252 HD2 LYS 36 1HD LYS 36 10.427 15.374 -2.827 253 HD3 LYS 36 2HD LYS 36 11.191 15.451 -1.237 254 HE2 LYS 36 1HE LYS 36 12.985 16.868 -2.304 255 HE3 LYS 36 2HE LYS 36 11.960 16.946 -3.736 256 HZ1 LYS 36 3HZ LYS 36 11.554 18.153 -1.093 257 HZ2 LYS 36 1HZ LYS 36 10.194 17.723 -2.003 258 HZ3 LYS 36 2HZ LYS 36 11.318 18.821 -2.629 259 H SER 37 H SER 37 15.289 11.020 -0.993 260 HA SER 37 HA SER 37 17.195 11.677 0.077 261 HB2 SER 37 1HB SER 37 16.789 13.769 -1.486 262 HB3 SER 37 2HB SER 37 16.397 14.560 0.041 263 HG SER 37 HG SER 37 18.764 14.233 -0.924 264 H GLY 38 H GLY 38 15.045 10.829 1.565 265 HA2 GLY 38 1HA GLY 38 14.416 12.637 3.691 266 HA3 GLY 38 2HA GLY 38 14.072 10.914 3.654 267 HA PRO 39 HA PRO 39 17.130 10.374 6.761 268 HB2 PRO 39 1HB PRO 39 17.671 7.740 6.392 269 HB3 PRO 39 2HB PRO 39 16.175 8.318 7.136 270 HG2 PRO 39 1HG PRO 39 16.671 7.429 4.321 271 HG3 PRO 39 2HG PRO 39 15.299 7.065 5.384 272 HD2 PRO 39 1HD PRO 39 15.181 8.954 3.447 273 HD3 PRO 39 2HD PRO 39 14.280 9.091 4.971 274 H SER 40 H SER 40 17.925 8.715 3.700 275 HA SER 40 HA SER 40 20.400 10.132 3.441 276 HB2 SER 40 1HB SER 40 21.901 8.214 3.631 277 HB3 SER 40 2HB SER 40 21.027 8.446 5.145 278 HG SER 40 HG SER 40 19.550 6.803 4.360 279 H SER 41 H SER 41 20.603 10.457 1.338 280 HA SER 41 HA SER 41 19.090 8.993 -0.580 281 HB2 SER 41 1HB SER 41 20.338 10.393 -2.244 282 HB3 SER 41 2HB SER 41 19.545 11.331 -0.979 283 HG SER 41 HG SER 41 21.541 11.538 0.055 284 H GLY 42 H GLY 42 19.821 7.643 -2.251 285 HA2 GLY 42 1HA GLY 42 20.982 5.787 -2.975 286 HA3 GLY 42 2HA GLY 42 22.357 6.878 -2.910 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.949 -10.518 1.274 2 HA2 GLY 1 1HA GLY 1 -2.506 -10.454 3.220 3 HA3 GLY 1 2HA GLY 1 -0.897 -10.991 3.680 4 H SER 2 H SER 2 -3.266 -9.228 4.815 5 HA SER 2 HA SER 2 -1.646 -7.736 6.592 6 HB2 SER 2 1HB SER 2 -1.717 -6.407 4.298 7 HB3 SER 2 2HB SER 2 -3.283 -5.880 4.916 8 HG SER 2 HG SER 2 -2.104 -4.462 5.936 9 H SER 3 H SER 3 -3.059 -6.184 7.928 10 HA SER 3 HA SER 3 -5.096 -7.582 9.142 11 HB2 SER 3 1HB SER 3 -3.893 -5.519 10.010 12 HB3 SER 3 2HB SER 3 -5.004 -4.564 9.029 13 HG SER 3 HG SER 3 -5.435 -5.387 11.436 14 H GLY 4 H GLY 4 -6.756 -8.411 8.001 15 HA2 GLY 4 1HA GLY 4 -8.987 -6.938 7.340 16 HA3 GLY 4 2HA GLY 4 -8.040 -7.019 5.861 17 H SER 5 H SER 5 -10.483 -8.084 5.754 18 HA SER 5 HA SER 5 -10.197 -10.966 6.205 19 HB2 SER 5 1HB SER 5 -12.632 -11.062 5.745 20 HB3 SER 5 2HB SER 5 -12.247 -9.971 7.076 21 HG SER 5 HG SER 5 -12.684 -9.167 4.388 22 H SER 6 H SER 6 -10.433 -8.566 3.703 23 HA SER 6 HA SER 6 -10.780 -10.561 1.613 24 HB2 SER 6 1HB SER 6 -10.563 -7.546 1.539 25 HB3 SER 6 2HB SER 6 -10.708 -8.547 0.094 26 HG SER 6 HG SER 6 -12.615 -7.807 1.910 27 H GLY 7 H GLY 7 -9.091 -11.607 0.810 28 HA2 GLY 7 1HA GLY 7 -6.402 -10.611 1.232 29 HA3 GLY 7 2HA GLY 7 -6.845 -12.158 0.526 30 H GLU 8 H GLU 8 -8.337 -11.550 -1.611 31 HA GLU 8 HA GLU 8 -6.386 -10.502 -3.436 32 HB2 GLU 8 1HB GLU 8 -8.098 -11.011 -5.166 33 HB3 GLU 8 2HB GLU 8 -7.717 -12.383 -4.135 34 HG2 GLU 8 1HG GLU 8 -9.754 -12.263 -3.012 35 HG3 GLU 8 2HG GLU 8 -10.057 -10.612 -3.550 36 H LYS 9 H LYS 9 -6.252 -8.519 -4.277 37 HA LYS 9 HA LYS 9 -8.568 -6.748 -4.236 38 HB2 LYS 9 1HB LYS 9 -5.926 -6.028 -2.953 39 HB3 LYS 9 2HB LYS 9 -7.257 -4.911 -3.221 40 HG2 LYS 9 1HG LYS 9 -8.667 -6.427 -1.787 41 HG3 LYS 9 2HG LYS 9 -7.178 -7.278 -1.372 42 HD2 LYS 9 1HD LYS 9 -6.233 -5.227 -0.471 43 HD3 LYS 9 2HD LYS 9 -7.678 -4.331 -0.945 44 HE2 LYS 9 1HE LYS 9 -7.675 -6.654 0.976 45 HE3 LYS 9 2HE LYS 9 -7.600 -4.963 1.468 46 HZ1 LYS 9 3HZ LYS 9 -9.807 -6.263 -0.036 47 HZ2 LYS 9 1HZ LYS 9 -9.728 -4.611 0.324 48 HZ3 LYS 9 2HZ LYS 9 -9.855 -5.744 1.574 49 HA PRO 10 HA PRO 10 -6.980 -5.536 -8.153 50 HB2 PRO 10 1HB PRO 10 -8.127 -3.086 -8.379 51 HB3 PRO 10 2HB PRO 10 -9.039 -4.591 -8.537 52 HG2 PRO 10 1HG PRO 10 -8.788 -2.767 -6.177 53 HG3 PRO 10 2HG PRO 10 -10.231 -3.574 -6.820 54 HD2 PRO 10 1HD PRO 10 -8.877 -4.507 -4.669 55 HD3 PRO 10 2HD PRO 10 -9.714 -5.580 -5.809 56 H TYR 11 H TYR 11 -6.499 -3.514 -5.344 57 HA TYR 11 HA TYR 11 -4.398 -1.995 -6.703 58 HB2 TYR 11 1HB TYR 11 -5.557 -1.641 -3.931 59 HB3 TYR 11 2HB TYR 11 -4.404 -0.565 -4.711 60 HD1 TYR 11 HD1 TYR 11 -5.161 0.525 -6.935 61 HD2 TYR 11 HD2 TYR 11 -7.841 -1.252 -4.149 62 HE1 TYR 11 HE1 TYR 11 -7.016 1.812 -7.909 63 HE2 TYR 11 HE2 TYR 11 -9.705 0.030 -5.116 64 HH TYR 11 HH TYR 11 -9.250 2.636 -7.212 65 H SER 12 H SER 12 -2.371 -2.662 -6.585 66 HA SER 12 HA SER 12 -1.435 -3.974 -4.133 67 HB2 SER 12 1HB SER 12 -1.143 -5.013 -6.951 68 HB3 SER 12 2HB SER 12 -0.066 -5.519 -5.650 69 HG SER 12 HG SER 12 -2.133 -6.759 -6.144 70 H CYS 13 H CYS 13 0.766 -3.703 -3.674 71 HA CYS 13 HA CYS 13 1.969 -1.405 -5.024 72 HB2 CYS 13 1HB CYS 13 1.695 -1.503 -2.504 73 HB3 CYS 13 2HB CYS 13 2.930 -2.758 -2.501 74 H ALA 14 H ALA 14 3.608 -1.611 -6.394 75 HA ALA 14 HA ALA 14 4.792 -4.225 -6.822 76 HB1 ALA 14 3HB ALA 14 5.779 -3.249 -8.810 77 HB2 ALA 14 1HB ALA 14 4.058 -2.869 -8.735 78 HB3 ALA 14 2HB ALA 14 5.253 -1.642 -8.309 79 H GLU 15 H GLU 15 5.427 -2.795 -4.360 80 HA GLU 15 HA GLU 15 8.343 -2.606 -4.718 81 HB2 GLU 15 1HB GLU 15 6.518 -0.810 -3.138 82 HB3 GLU 15 2HB GLU 15 8.226 -0.951 -2.746 83 HG2 GLU 15 1HG GLU 15 8.072 0.931 -4.116 84 HG3 GLU 15 2HG GLU 15 8.678 -0.346 -5.168 85 H CYS 16 H CYS 16 5.785 -2.979 -2.264 86 HA CYS 16 HA CYS 16 7.553 -4.852 -0.835 87 HB2 CYS 16 1HB CYS 16 6.107 -4.340 1.159 88 HB3 CYS 16 2HB CYS 16 7.056 -2.979 0.571 89 H LYS 17 H LYS 17 4.982 -4.777 -2.874 90 HA LYS 17 HA LYS 17 3.471 -6.342 -3.543 91 HB2 LYS 17 1HB LYS 17 4.753 -8.149 -1.488 92 HB3 LYS 17 2HB LYS 17 3.747 -8.647 -2.842 93 HG2 LYS 17 1HG LYS 17 6.375 -7.225 -3.174 94 HG3 LYS 17 2HG LYS 17 6.212 -8.982 -3.142 95 HD2 LYS 17 1HD LYS 17 4.618 -7.279 -5.035 96 HD3 LYS 17 2HD LYS 17 6.248 -7.830 -5.429 97 HE2 LYS 17 1HE LYS 17 3.979 -9.654 -4.646 98 HE3 LYS 17 2HE LYS 17 4.428 -9.290 -6.312 99 HZ1 LYS 17 3HZ LYS 17 5.429 -11.349 -5.629 100 HZ2 LYS 17 1HZ LYS 17 6.138 -10.617 -4.279 101 HZ3 LYS 17 2HZ LYS 17 6.646 -10.192 -5.835 102 H GLU 18 H GLU 18 2.565 -4.478 -1.786 103 HA GLU 18 HA GLU 18 0.952 -5.951 0.178 104 HB2 GLU 18 1HB GLU 18 2.403 -3.768 0.634 105 HB3 GLU 18 2HB GLU 18 0.944 -2.974 0.058 106 HG2 GLU 18 1HG GLU 18 0.647 -3.045 2.349 107 HG3 GLU 18 2HG GLU 18 -0.283 -4.430 1.779 108 H THR 19 H THR 19 -1.316 -5.281 0.438 109 HA THR 19 HA THR 19 -2.518 -4.483 -2.133 110 HB THR 19 HB THR 19 -4.505 -5.905 -1.380 111 HG1 THR 19 HG1 THR 19 -3.283 -6.136 0.803 112 HG21 THR 19 3HG2 THR 19 -2.947 -8.075 -1.887 113 HG22 THR 19 1HG2 THR 19 -1.925 -6.772 -2.493 114 HG23 THR 19 2HG2 THR 19 -3.560 -6.978 -3.123 115 H PHE 20 H PHE 20 -4.581 -3.407 -2.004 116 HA PHE 20 HA PHE 20 -5.340 -2.327 0.595 117 HB2 PHE 20 1HB PHE 20 -4.714 -0.525 -1.753 118 HB3 PHE 20 2HB PHE 20 -5.282 -0.016 -0.166 119 HD1 PHE 20 HD2 PHE 20 -2.436 -1.446 -2.014 120 HD2 PHE 20 HD1 PHE 20 -3.789 0.226 1.658 121 HE1 PHE 20 HE2 PHE 20 -0.106 -1.244 -1.252 122 HE2 PHE 20 HE1 PHE 20 -1.461 0.432 2.427 123 HZ PHE 20 HZ PHE 20 0.384 -0.305 0.972 124 H SER 21 H SER 21 -7.487 -1.950 0.782 125 HA SER 21 HA SER 21 -9.279 -3.084 -1.024 126 HB2 SER 21 1HB SER 21 -9.874 -2.745 1.309 127 HB3 SER 21 2HB SER 21 -9.777 -0.995 1.111 128 HG SER 21 HG SER 21 -11.828 -2.671 0.565 129 H ASP 22 H ASP 22 -8.542 0.353 -0.471 130 HA ASP 22 HA ASP 22 -9.764 0.943 -3.087 131 HB2 ASP 22 1HB ASP 22 -10.648 1.971 -0.810 132 HB3 ASP 22 2HB ASP 22 -9.315 3.093 -1.065 133 H ASN 23 H ASN 23 -8.821 3.123 -3.969 134 HA ASN 23 HA ASN 23 -6.011 2.652 -4.373 135 HB2 ASN 23 1HB ASN 23 -6.171 4.075 -6.185 136 HB3 ASN 23 2HB ASN 23 -7.838 3.518 -6.062 137 HD21 ASN 23 1HD2 ASN 23 -5.644 6.159 -5.444 138 HD22 ASN 23 2HD2 ASN 23 -6.853 7.383 -5.285 139 H ASN 24 H ASN 24 -7.984 5.232 -2.945 140 HA ASN 24 HA ASN 24 -6.205 7.169 -2.367 141 HB2 ASN 24 1HB ASN 24 -8.407 6.018 -0.670 142 HB3 ASN 24 2HB ASN 24 -7.445 7.382 -0.105 143 HD21 ASN 24 1HD2 ASN 24 -10.071 7.757 -0.354 144 HD22 ASN 24 2HD2 ASN 24 -10.433 8.747 -1.723 145 H ARG 25 H ARG 25 -6.646 4.236 -0.398 146 HA ARG 25 HA ARG 25 -4.652 4.791 1.489 147 HB2 ARG 25 1HB ARG 25 -5.982 2.279 0.541 148 HB3 ARG 25 2HB ARG 25 -4.621 2.180 1.650 149 HG2 ARG 25 1HG ARG 25 -5.789 3.072 3.389 150 HG3 ARG 25 2HG ARG 25 -6.842 4.022 2.339 151 HD2 ARG 25 1HD ARG 25 -8.190 2.176 1.832 152 HD3 ARG 25 2HD ARG 25 -6.980 1.027 2.398 153 HE ARG 25 HE ARG 25 -8.913 2.457 4.000 154 HH11 ARG 25 1HH1 ARG 25 -5.937 0.651 3.962 155 HH12 ARG 25 2HH1 ARG 25 -6.036 0.201 5.633 156 HH21 ARG 25 1HH2 ARG 25 -9.055 1.871 6.200 157 HH22 ARG 25 2HH2 ARG 25 -7.811 0.895 6.904 158 H LEU 26 H LEU 26 -4.508 3.148 -1.633 159 HA LEU 26 HA LEU 26 -1.862 2.218 -1.447 160 HB2 LEU 26 1HB LEU 26 -3.424 1.410 -3.124 161 HB3 LEU 26 2HB LEU 26 -3.467 3.004 -3.875 162 HG LEU 26 HG LEU 26 -0.960 2.671 -4.287 163 HD11 LEU 26 1HD1 LEU 26 -0.247 0.873 -3.081 164 HD12 LEU 26 2HD1 LEU 26 -0.617 0.074 -4.608 165 HD13 LEU 26 3HD1 LEU 26 -1.766 -0.002 -3.272 166 HD21 LEU 26 3HD2 LEU 26 -2.384 0.645 -5.880 167 HD22 LEU 26 1HD2 LEU 26 -1.478 2.068 -6.394 168 HD23 LEU 26 2HD2 LEU 26 -3.138 2.240 -5.823 169 H VAL 27 H VAL 27 -3.173 5.180 -2.923 170 HA VAL 27 HA VAL 27 -0.817 6.287 -3.860 171 HB VAL 27 HB VAL 27 -3.175 7.754 -2.668 172 HG11 VAL 27 1HG1 VAL 27 -0.834 8.911 -3.114 173 HG12 VAL 27 2HG1 VAL 27 -1.445 8.942 -4.770 174 HG13 VAL 27 3HG1 VAL 27 -2.357 9.722 -3.477 175 HG21 VAL 27 3HG2 VAL 27 -3.610 8.041 -5.228 176 HG22 VAL 27 1HG2 VAL 27 -2.616 6.590 -5.360 177 HG23 VAL 27 2HG2 VAL 27 -4.101 6.558 -4.409 178 H GLN 28 H GLN 28 -2.343 6.852 -0.687 179 HA GLN 28 HA GLN 28 -0.371 8.510 0.373 180 HB2 GLN 28 1HB GLN 28 -2.363 6.645 1.632 181 HB3 GLN 28 2HB GLN 28 -1.219 7.545 2.619 182 HG2 GLN 28 1HG GLN 28 -2.173 9.580 2.111 183 HG3 GLN 28 2HG GLN 28 -2.903 8.983 0.622 184 HE21 GLN 28 1HE2 GLN 28 -5.015 9.216 0.848 185 HE22 GLN 28 2HE2 GLN 28 -5.951 8.691 2.202 186 H HIS 29 H HIS 29 -0.610 4.989 0.330 187 HA HIS 29 HA HIS 29 1.596 4.479 2.019 188 HB2 HIS 29 1HB HIS 29 0.053 2.704 1.651 189 HB3 HIS 29 2HB HIS 29 0.226 2.821 -0.098 190 HD1 HIS 29 HD1 HIS 29 1.787 1.332 2.924 191 HD2 HIS 29 HD2 HIS 29 2.574 1.635 -1.144 192 HE1 HIS 29 HE1 HIS 29 3.610 -0.338 2.467 193 H GLN 30 H GLN 30 1.355 4.253 -1.536 194 HA GLN 30 HA GLN 30 3.931 3.698 -2.192 195 HB2 GLN 30 1HB GLN 30 1.966 5.538 -3.544 196 HB3 GLN 30 2HB GLN 30 3.531 5.161 -4.251 197 HG2 GLN 30 1HG GLN 30 2.795 2.695 -3.919 198 HG3 GLN 30 2HG GLN 30 1.176 3.384 -3.814 199 HE21 GLN 30 1HE2 GLN 30 0.541 2.352 -5.711 200 HE22 GLN 30 2HE2 GLN 30 1.070 2.888 -7.266 201 H LYS 31 H LYS 31 2.672 6.745 -1.029 202 HA LYS 31 HA LYS 31 4.899 8.360 -1.679 203 HB2 LYS 31 1HB LYS 31 2.678 8.603 0.335 204 HB3 LYS 31 2HB LYS 31 3.971 9.793 0.257 205 HG2 LYS 31 1HG LYS 31 3.364 10.457 -1.923 206 HG3 LYS 31 2HG LYS 31 2.302 9.063 -2.130 207 HD2 LYS 31 1HD LYS 31 0.940 10.992 -1.716 208 HD3 LYS 31 2HD LYS 31 0.882 9.959 -0.286 209 HE2 LYS 31 1HE LYS 31 2.860 12.200 -0.491 210 HE3 LYS 31 2HE LYS 31 1.201 12.503 0.022 211 HZ1 LYS 31 3HZ LYS 31 3.234 11.764 1.647 212 HZ2 LYS 31 1HZ LYS 31 2.435 10.295 1.386 213 HZ3 LYS 31 2HZ LYS 31 1.590 11.617 2.016 214 H MET 32 H MET 32 4.070 6.458 1.186 215 HA MET 32 HA MET 32 6.108 7.297 2.883 216 HB2 MET 32 1HB MET 32 4.724 4.628 2.628 217 HB3 MET 32 2HB MET 32 5.866 4.993 3.914 218 HG2 MET 32 1HG MET 32 3.479 6.729 3.422 219 HG3 MET 32 2HG MET 32 3.363 5.256 4.383 220 HE1 MET 32 3HE MET 32 3.624 6.985 7.646 221 HE2 MET 32 1HE MET 32 2.419 6.901 6.361 222 HE3 MET 32 2HE MET 32 3.323 5.457 6.818 223 H HIS 33 H HIS 33 6.181 5.093 0.176 224 HA HIS 33 HA HIS 33 8.662 3.860 0.738 225 HB2 HIS 33 1HB HIS 33 6.949 4.167 -1.693 226 HB3 HIS 33 2HB HIS 33 8.602 3.592 -1.890 227 HD1 HIS 33 HD1 HIS 33 9.162 1.434 -0.234 228 HD2 HIS 33 HD2 HIS 33 5.190 2.179 -1.198 229 HE1 HIS 33 HE1 HIS 33 7.944 -0.717 0.226 230 H THR 34 H THR 34 7.797 6.928 -0.627 231 HA THR 34 HA THR 34 9.927 7.658 -2.158 232 HB THR 34 HB THR 34 7.880 9.059 -1.373 233 HG1 THR 34 HG1 THR 34 9.204 9.955 -2.885 234 HG21 THR 34 3HG2 THR 34 8.475 10.757 0.323 235 HG22 THR 34 1HG2 THR 34 9.967 9.878 0.650 236 HG23 THR 34 2HG2 THR 34 8.409 9.127 0.994 237 H VAL 35 H VAL 35 11.896 8.812 -1.743 238 HA VAL 35 HA VAL 35 12.989 8.639 0.957 239 HB VAL 35 HB VAL 35 14.332 7.350 -1.423 240 HG11 VAL 35 1HG1 VAL 35 15.742 8.634 0.344 241 HG12 VAL 35 2HG1 VAL 35 15.378 7.250 1.376 242 HG13 VAL 35 3HG1 VAL 35 16.231 7.013 -0.150 243 HG21 VAL 35 3HG2 VAL 35 12.482 6.053 -0.370 244 HG22 VAL 35 1HG2 VAL 35 14.059 5.271 -0.258 245 HG23 VAL 35 2HG2 VAL 35 13.380 6.092 1.147 246 H LYS 36 H LYS 36 13.472 10.723 1.268 247 HA LYS 36 HA LYS 36 15.229 12.025 -0.697 248 HB2 LYS 36 1HB LYS 36 12.801 13.202 0.653 249 HB3 LYS 36 2HB LYS 36 14.047 14.193 -0.095 250 HG2 LYS 36 1HG LYS 36 12.556 12.050 -1.584 251 HG3 LYS 36 2HG LYS 36 12.006 13.725 -1.493 252 HD2 LYS 36 1HD LYS 36 14.084 14.479 -2.514 253 HD3 LYS 36 2HD LYS 36 14.681 12.819 -2.558 254 HE2 LYS 36 1HE LYS 36 12.673 12.260 -3.977 255 HE3 LYS 36 2HE LYS 36 12.365 13.993 -4.083 256 HZ1 LYS 36 3HZ LYS 36 14.044 12.495 -5.683 257 HZ2 LYS 36 1HZ LYS 36 15.067 13.429 -4.712 258 HZ3 LYS 36 2HZ LYS 36 13.887 14.179 -5.663 259 H SER 37 H SER 37 17.007 11.522 0.625 260 HA SER 37 HA SER 37 17.090 12.307 3.381 261 HB2 SER 37 1HB SER 37 18.440 10.434 2.720 262 HB3 SER 37 2HB SER 37 19.235 11.380 1.461 263 HG SER 37 HG SER 37 20.642 11.439 3.113 264 H GLY 38 H GLY 38 18.580 13.533 0.389 265 HA2 GLY 38 1HA GLY 38 18.398 16.240 1.244 266 HA3 GLY 38 2HA GLY 38 20.036 15.637 1.448 267 HA PRO 39 HA PRO 39 18.867 16.777 -3.097 268 HB2 PRO 39 1HB PRO 39 19.321 19.454 -3.140 269 HB3 PRO 39 2HB PRO 39 17.729 18.754 -2.821 270 HG2 PRO 39 1HG PRO 39 19.758 19.805 -0.888 271 HG3 PRO 39 2HG PRO 39 18.000 20.037 -0.901 272 HD2 PRO 39 1HD PRO 39 19.220 18.240 0.716 273 HD3 PRO 39 2HD PRO 39 17.595 17.978 0.052 274 H SER 40 H SER 40 21.328 17.874 -0.856 275 HA SER 40 HA SER 40 23.299 18.387 -2.880 276 HB2 SER 40 1HB SER 40 23.135 19.378 -0.474 277 HB3 SER 40 2HB SER 40 23.965 17.899 0.009 278 HG SER 40 HG SER 40 24.871 19.843 -1.849 279 H SER 41 H SER 41 23.882 16.678 -4.087 280 HA SER 41 HA SER 41 24.685 14.215 -2.682 281 HB2 SER 41 1HB SER 41 22.756 14.044 -4.316 282 HB3 SER 41 2HB SER 41 23.908 14.424 -5.596 283 HG SER 41 HG SER 41 23.409 12.069 -4.533 284 H GLY 42 H GLY 42 26.803 13.912 -2.577 285 HA2 GLY 42 1HA GLY 42 29.050 14.088 -3.029 286 HA3 GLY 42 2HA GLY 42 28.563 13.828 -4.698 Start of MODEL 19 1 H1 GLY 1 H GLY 1 7.997 -22.285 -4.906 2 HA2 GLY 1 1HA GLY 1 10.209 -22.248 -3.355 3 HA3 GLY 1 2HA GLY 1 10.337 -20.727 -4.225 4 H SER 2 H SER 2 8.652 -19.150 -3.955 5 HA SER 2 HA SER 2 7.086 -19.526 -1.488 6 HB2 SER 2 1HB SER 2 8.890 -18.057 -0.911 7 HB3 SER 2 2HB SER 2 8.653 -17.096 -2.371 8 HG SER 2 HG SER 2 7.455 -15.918 -1.105 9 H SER 3 H SER 3 5.112 -19.879 -2.378 10 HA SER 3 HA SER 3 4.109 -17.901 -4.312 11 HB2 SER 3 1HB SER 3 3.319 -20.758 -3.754 12 HB3 SER 3 2HB SER 3 2.291 -19.669 -4.686 13 HG SER 3 HG SER 3 5.010 -20.043 -5.344 14 H GLY 4 H GLY 4 1.694 -17.493 -4.126 15 HA2 GLY 4 1HA GLY 4 0.087 -17.863 -1.976 16 HA3 GLY 4 2HA GLY 4 1.166 -16.585 -1.437 17 H SER 5 H SER 5 -1.808 -16.858 -2.287 18 HA SER 5 HA SER 5 -1.813 -14.442 -3.974 19 HB2 SER 5 1HB SER 5 -3.946 -15.258 -4.960 20 HB3 SER 5 2HB SER 5 -2.587 -16.326 -5.306 21 HG SER 5 HG SER 5 -4.496 -17.441 -4.611 22 H SER 6 H SER 6 -3.667 -16.337 -1.609 23 HA SER 6 HA SER 6 -5.344 -15.712 -0.167 24 HB2 SER 6 1HB SER 6 -4.613 -14.053 1.454 25 HB3 SER 6 2HB SER 6 -3.240 -15.060 0.991 26 HG SER 6 HG SER 6 -3.844 -12.458 0.028 27 H GLY 7 H GLY 7 -6.018 -14.902 -2.717 28 HA2 GLY 7 1HA GLY 7 -7.769 -13.637 -3.578 29 HA3 GLY 7 2HA GLY 7 -7.758 -12.671 -2.110 30 H GLU 8 H GLU 8 -7.878 -11.869 -4.954 31 HA GLU 8 HA GLU 8 -5.351 -10.408 -5.234 32 HB2 GLU 8 1HB GLU 8 -7.608 -10.857 -7.192 33 HB3 GLU 8 2HB GLU 8 -6.177 -9.894 -7.529 34 HG2 GLU 8 1HG GLU 8 -4.774 -11.754 -7.523 35 HG3 GLU 8 2HG GLU 8 -5.956 -12.756 -6.682 36 H LYS 9 H LYS 9 -5.602 -8.144 -6.167 37 HA LYS 9 HA LYS 9 -7.988 -6.713 -5.387 38 HB2 LYS 9 1HB LYS 9 -6.270 -7.026 -3.372 39 HB3 LYS 9 2HB LYS 9 -5.501 -5.646 -4.145 40 HG2 LYS 9 1HG LYS 9 -7.286 -4.245 -3.721 41 HG3 LYS 9 2HG LYS 9 -8.425 -5.581 -3.542 42 HD2 LYS 9 1HD LYS 9 -6.156 -5.117 -1.621 43 HD3 LYS 9 2HD LYS 9 -7.743 -4.372 -1.414 44 HE2 LYS 9 1HE LYS 9 -8.742 -6.656 -1.482 45 HE3 LYS 9 2HE LYS 9 -7.108 -7.319 -1.499 46 HZ1 LYS 9 3HZ LYS 9 -8.401 -7.023 0.730 47 HZ2 LYS 9 1HZ LYS 9 -7.841 -5.430 0.622 48 HZ3 LYS 9 2HZ LYS 9 -6.740 -6.713 0.658 49 HA PRO 10 HA PRO 10 -6.684 -4.276 -8.819 50 HB2 PRO 10 1HB PRO 10 -8.259 -2.104 -8.402 51 HB3 PRO 10 2HB PRO 10 -8.885 -3.643 -9.007 52 HG2 PRO 10 1HG PRO 10 -8.941 -2.538 -6.225 53 HG3 PRO 10 2HG PRO 10 -10.221 -3.375 -7.123 54 HD2 PRO 10 1HD PRO 10 -8.695 -4.617 -5.264 55 HD3 PRO 10 2HD PRO 10 -9.337 -5.458 -6.689 56 H TYR 11 H TYR 11 -6.096 -3.486 -5.586 57 HA TYR 11 HA TYR 11 -4.343 -1.262 -6.402 58 HB2 TYR 11 1HB TYR 11 -5.645 -1.514 -3.689 59 HB3 TYR 11 2HB TYR 11 -4.769 -0.132 -4.338 60 HD1 TYR 11 HD1 TYR 11 -5.843 0.591 -6.780 61 HD2 TYR 11 HD2 TYR 11 -7.911 -1.185 -3.513 62 HE1 TYR 11 HE1 TYR 11 -7.954 1.546 -7.605 63 HE2 TYR 11 HE2 TYR 11 -10.028 -0.235 -4.329 64 HH TYR 11 HH TYR 11 -11.028 0.919 -5.941 65 H SER 12 H SER 12 -2.609 -2.722 -6.668 66 HA SER 12 HA SER 12 -1.558 -3.824 -4.143 67 HB2 SER 12 1HB SER 12 -0.637 -5.658 -5.296 68 HB3 SER 12 2HB SER 12 -2.230 -5.457 -6.025 69 HG SER 12 HG SER 12 -0.241 -5.689 -7.432 70 H CYS 13 H CYS 13 0.795 -3.884 -3.966 71 HA CYS 13 HA CYS 13 2.000 -1.533 -5.253 72 HB2 CYS 13 1HB CYS 13 1.812 -1.769 -2.687 73 HB3 CYS 13 2HB CYS 13 3.115 -2.943 -2.840 74 H ALA 14 H ALA 14 4.366 -1.670 -5.674 75 HA ALA 14 HA ALA 14 5.027 -4.315 -6.782 76 HB1 ALA 14 3HB ALA 14 4.801 -2.414 -8.382 77 HB2 ALA 14 1HB ALA 14 6.189 -1.658 -7.599 78 HB3 ALA 14 2HB ALA 14 6.374 -3.210 -8.418 79 H GLU 15 H GLU 15 6.082 -1.793 -4.640 80 HA GLU 15 HA GLU 15 8.774 -2.777 -4.381 81 HB2 GLU 15 1HB GLU 15 7.209 -0.782 -2.737 82 HB3 GLU 15 2HB GLU 15 8.915 -1.139 -2.509 83 HG2 GLU 15 1HG GLU 15 8.684 0.882 -3.778 84 HG3 GLU 15 2HG GLU 15 9.355 -0.381 -4.808 85 H CYS 16 H CYS 16 6.131 -2.469 -2.002 86 HA CYS 16 HA CYS 16 7.314 -4.623 -0.436 87 HB2 CYS 16 1HB CYS 16 5.748 -3.989 1.302 88 HB3 CYS 16 2HB CYS 16 6.542 -2.544 0.683 89 H LYS 17 H LYS 17 4.812 -4.126 -2.711 90 HA LYS 17 HA LYS 17 3.263 -5.510 -3.636 91 HB2 LYS 17 1HB LYS 17 5.163 -7.404 -2.351 92 HB3 LYS 17 2HB LYS 17 3.607 -8.046 -2.860 93 HG2 LYS 17 1HG LYS 17 4.813 -8.420 -4.748 94 HG3 LYS 17 2HG LYS 17 4.216 -6.797 -5.102 95 HD2 LYS 17 1HD LYS 17 6.510 -6.731 -5.612 96 HD3 LYS 17 2HD LYS 17 6.369 -5.948 -4.036 97 HE2 LYS 17 1HE LYS 17 6.803 -8.382 -3.150 98 HE3 LYS 17 2HE LYS 17 7.514 -8.608 -4.747 99 HZ1 LYS 17 3HZ LYS 17 8.315 -6.244 -3.224 100 HZ2 LYS 17 1HZ LYS 17 9.215 -7.196 -4.295 101 HZ3 LYS 17 2HZ LYS 17 8.922 -7.741 -2.721 102 H GLU 18 H GLU 18 2.324 -4.116 -1.553 103 HA GLU 18 HA GLU 18 0.873 -6.022 0.147 104 HB2 GLU 18 1HB GLU 18 2.227 -3.977 1.047 105 HB3 GLU 18 2HB GLU 18 0.820 -3.051 0.543 106 HG2 GLU 18 1HG GLU 18 0.696 -5.405 2.410 107 HG3 GLU 18 2HG GLU 18 0.828 -3.729 2.939 108 H THR 19 H THR 19 -1.329 -6.129 0.167 109 HA THR 19 HA THR 19 -2.689 -4.936 -2.110 110 HB THR 19 HB THR 19 -4.598 -6.379 -1.443 111 HG1 THR 19 HG1 THR 19 -3.873 -6.394 0.859 112 HG21 THR 19 3HG2 THR 19 -2.954 -7.235 -3.016 113 HG22 THR 19 1HG2 THR 19 -3.509 -8.532 -1.958 114 HG23 THR 19 2HG2 THR 19 -1.935 -7.785 -1.686 115 H PHE 20 H PHE 20 -4.403 -3.531 -1.999 116 HA PHE 20 HA PHE 20 -5.171 -2.542 0.660 117 HB2 PHE 20 1HB PHE 20 -4.555 -0.792 -1.730 118 HB3 PHE 20 2HB PHE 20 -5.105 -0.235 -0.153 119 HD1 PHE 20 HD2 PHE 20 -2.292 -1.693 -2.011 120 HD2 PHE 20 HD1 PHE 20 -3.605 -0.051 1.691 121 HE1 PHE 20 HE2 PHE 20 0.045 -1.521 -1.262 122 HE2 PHE 20 HE1 PHE 20 -1.269 0.125 2.445 123 HZ PHE 20 HZ PHE 20 0.559 -0.612 0.968 124 H SER 21 H SER 21 -7.300 -2.186 0.936 125 HA SER 21 HA SER 21 -9.066 -2.880 -1.271 126 HB2 SER 21 1HB SER 21 -10.826 -2.973 0.439 127 HB3 SER 21 2HB SER 21 -9.430 -3.936 0.923 128 HG SER 21 HG SER 21 -8.773 -1.992 2.126 129 H ASP 22 H ASP 22 -7.667 -0.339 -1.329 130 HA ASP 22 HA ASP 22 -9.791 1.334 -2.124 131 HB2 ASP 22 1HB ASP 22 -8.741 1.698 0.638 132 HB3 ASP 22 2HB ASP 22 -9.058 3.149 -0.309 133 H ASN 23 H ASN 23 -8.982 2.533 -3.707 134 HA ASN 23 HA ASN 23 -6.343 2.585 -4.481 135 HB2 ASN 23 1HB ASN 23 -7.701 3.311 -6.178 136 HB3 ASN 23 2HB ASN 23 -8.723 4.256 -5.100 137 HD21 ASN 23 1HD2 ASN 23 -5.798 4.206 -6.970 138 HD22 ASN 23 2HD2 ASN 23 -5.497 5.906 -6.920 139 H ASN 24 H ASN 24 -8.078 4.993 -2.534 140 HA ASN 24 HA ASN 24 -6.177 6.945 -2.277 141 HB2 ASN 24 1HB ASN 24 -8.437 7.072 -1.293 142 HB3 ASN 24 2HB ASN 24 -7.960 5.905 -0.064 143 HD21 ASN 24 1HD2 ASN 24 -8.724 7.742 1.292 144 HD22 ASN 24 2HD2 ASN 24 -7.558 8.934 1.745 145 H ARG 25 H ARG 25 -6.545 4.168 -0.066 146 HA ARG 25 HA ARG 25 -4.350 4.600 1.537 147 HB2 ARG 25 1HB ARG 25 -5.562 2.002 0.591 148 HB3 ARG 25 2HB ARG 25 -4.318 2.089 1.830 149 HG2 ARG 25 1HG ARG 25 -5.747 3.269 3.308 150 HG3 ARG 25 2HG ARG 25 -6.945 3.533 2.039 151 HD2 ARG 25 1HD ARG 25 -7.139 1.002 1.911 152 HD3 ARG 25 2HD ARG 25 -6.222 0.961 3.417 153 HE ARG 25 HE ARG 25 -8.978 1.660 3.097 154 HH11 ARG 25 1HH1 ARG 25 -6.136 2.173 5.042 155 HH12 ARG 25 2HH1 ARG 25 -7.028 2.595 6.466 156 HH21 ARG 25 1HH2 ARG 25 -10.163 2.213 4.965 157 HH22 ARG 25 2HH2 ARG 25 -9.319 2.616 6.422 158 H LEU 26 H LEU 26 -4.471 2.835 -1.542 159 HA LEU 26 HA LEU 26 -1.770 2.061 -1.593 160 HB2 LEU 26 1HB LEU 26 -3.419 1.039 -3.034 161 HB3 LEU 26 2HB LEU 26 -3.698 2.576 -3.852 162 HG LEU 26 HG LEU 26 -1.207 2.407 -4.523 163 HD11 LEU 26 1HD1 LEU 26 -1.090 -0.357 -4.785 164 HD12 LEU 26 2HD1 LEU 26 -1.598 -0.085 -3.119 165 HD13 LEU 26 3HD1 LEU 26 -0.112 0.650 -3.718 166 HD21 LEU 26 3HD2 LEU 26 -2.739 2.294 -6.256 167 HD22 LEU 26 1HD2 LEU 26 -3.494 0.828 -5.631 168 HD23 LEU 26 2HD2 LEU 26 -1.903 0.746 -6.387 169 H VAL 27 H VAL 27 -3.416 4.905 -2.929 170 HA VAL 27 HA VAL 27 -1.254 6.056 -4.258 171 HB VAL 27 HB VAL 27 -3.576 7.407 -2.879 172 HG11 VAL 27 1HG1 VAL 27 -1.800 8.598 -4.996 173 HG12 VAL 27 2HG1 VAL 27 -3.050 9.402 -4.044 174 HG13 VAL 27 3HG1 VAL 27 -1.557 8.870 -3.271 175 HG21 VAL 27 3HG2 VAL 27 -4.641 7.420 -4.998 176 HG22 VAL 27 1HG2 VAL 27 -3.173 6.881 -5.815 177 HG23 VAL 27 2HG2 VAL 27 -4.045 5.779 -4.749 178 H GLN 28 H GLN 28 -2.507 7.119 -1.089 179 HA GLN 28 HA GLN 28 -0.301 8.684 -0.412 180 HB2 GLN 28 1HB GLN 28 -2.508 7.402 1.142 181 HB3 GLN 28 2HB GLN 28 -1.162 8.120 2.017 182 HG2 GLN 28 1HG GLN 28 -2.479 9.736 -0.096 183 HG3 GLN 28 2HG GLN 28 -3.332 9.491 1.427 184 HE21 GLN 28 1HE2 GLN 28 -0.471 10.812 -0.075 185 HE22 GLN 28 2HE2 GLN 28 -0.033 11.860 1.226 186 H HIS 29 H HIS 29 -0.833 5.252 -0.126 187 HA HIS 29 HA HIS 29 1.198 4.661 1.737 188 HB2 HIS 29 1HB HIS 29 -0.266 2.894 1.431 189 HB3 HIS 29 2HB HIS 29 -0.305 3.092 -0.318 190 HD1 HIS 29 HD1 HIS 29 1.598 1.432 2.421 191 HD2 HIS 29 HD2 HIS 29 1.771 1.800 -1.714 192 HE1 HIS 29 HE1 HIS 29 3.246 -0.308 1.660 193 H GLN 30 H GLN 30 1.221 4.331 -1.817 194 HA GLN 30 HA GLN 30 3.736 3.530 -2.320 195 HB2 GLN 30 1HB GLN 30 2.132 5.661 -3.719 196 HB3 GLN 30 2HB GLN 30 3.689 5.119 -4.330 197 HG2 GLN 30 1HG GLN 30 2.835 2.846 -4.520 198 HG3 GLN 30 2HG GLN 30 1.278 3.374 -3.885 199 HE21 GLN 30 1HE2 GLN 30 1.681 2.106 -6.373 200 HE22 GLN 30 2HE2 GLN 30 1.223 3.215 -7.616 201 H LYS 31 H LYS 31 2.811 6.823 -1.421 202 HA LYS 31 HA LYS 31 5.294 8.058 -1.734 203 HB2 LYS 31 1HB LYS 31 2.972 8.617 0.100 204 HB3 LYS 31 2HB LYS 31 4.413 9.625 0.098 205 HG2 LYS 31 1HG LYS 31 2.765 10.654 -1.287 206 HG3 LYS 31 2HG LYS 31 4.053 10.036 -2.324 207 HD2 LYS 31 1HD LYS 31 2.697 8.072 -2.846 208 HD3 LYS 31 2HD LYS 31 1.415 8.669 -1.790 209 HE2 LYS 31 1HE LYS 31 0.937 10.476 -3.215 210 HE3 LYS 31 2HE LYS 31 2.451 10.287 -4.098 211 HZ1 LYS 31 3HZ LYS 31 0.747 9.432 -5.465 212 HZ2 LYS 31 1HZ LYS 31 0.065 8.533 -4.204 213 HZ3 LYS 31 2HZ LYS 31 1.562 8.084 -4.849 214 H MET 32 H MET 32 3.937 6.303 1.023 215 HA MET 32 HA MET 32 5.774 6.822 2.982 216 HB2 MET 32 1HB MET 32 4.395 4.227 2.300 217 HB3 MET 32 2HB MET 32 5.341 4.453 3.765 218 HG2 MET 32 1HG MET 32 3.849 6.163 4.535 219 HG3 MET 32 2HG MET 32 2.967 6.137 3.010 220 HE1 MET 32 3HE MET 32 1.316 6.233 5.148 221 HE2 MET 32 1HE MET 32 0.473 4.770 5.657 222 HE3 MET 32 2HE MET 32 1.948 5.272 6.485 223 H HIS 33 H HIS 33 6.293 5.166 0.021 224 HA HIS 33 HA HIS 33 8.703 3.822 0.899 225 HB2 HIS 33 1HB HIS 33 7.329 4.084 -1.773 226 HB3 HIS 33 2HB HIS 33 8.897 3.302 -1.595 227 HD1 HIS 33 HD1 HIS 33 8.839 1.253 0.275 228 HD2 HIS 33 HD2 HIS 33 5.256 2.374 -1.503 229 HE1 HIS 33 HE1 HIS 33 7.278 -0.687 0.627 230 H THR 34 H THR 34 8.396 6.818 0.953 231 HA THR 34 HA THR 34 10.480 7.634 -0.932 232 HB THR 34 HB THR 34 9.970 9.953 0.002 233 HG1 THR 34 HG1 THR 34 8.869 9.126 1.903 234 HG21 THR 34 3HG2 THR 34 7.823 8.384 -1.424 235 HG22 THR 34 1HG2 THR 34 9.140 9.294 -2.162 236 HG23 THR 34 2HG2 THR 34 7.855 10.142 -1.300 237 H VAL 35 H VAL 35 12.470 7.191 -0.201 238 HA VAL 35 HA VAL 35 13.213 8.237 2.439 239 HB VAL 35 HB VAL 35 13.962 5.507 1.386 240 HG11 VAL 35 1HG1 VAL 35 14.929 5.604 3.918 241 HG12 VAL 35 2HG1 VAL 35 15.892 5.901 2.470 242 HG13 VAL 35 3HG1 VAL 35 15.223 7.256 3.379 243 HG21 VAL 35 3HG2 VAL 35 12.699 4.599 3.136 244 HG22 VAL 35 1HG2 VAL 35 12.610 6.141 3.989 245 HG23 VAL 35 2HG2 VAL 35 11.690 5.900 2.504 246 H LYS 36 H LYS 36 15.319 8.994 2.616 247 HA LYS 36 HA LYS 36 17.104 8.774 0.330 248 HB2 LYS 36 1HB LYS 36 15.514 10.807 0.083 249 HB3 LYS 36 2HB LYS 36 16.478 11.524 1.367 250 HG2 LYS 36 1HG LYS 36 18.500 11.024 -0.103 251 HG3 LYS 36 2HG LYS 36 17.333 10.745 -1.398 252 HD2 LYS 36 1HD LYS 36 16.409 13.024 -0.946 253 HD3 LYS 36 2HD LYS 36 17.743 13.282 0.180 254 HE2 LYS 36 1HE LYS 36 18.229 12.460 -2.664 255 HE3 LYS 36 2HE LYS 36 17.993 14.151 -2.226 256 HZ1 LYS 36 3HZ LYS 36 19.831 13.254 -0.428 257 HZ2 LYS 36 1HZ LYS 36 20.164 14.168 -1.812 258 HZ3 LYS 36 2HZ LYS 36 20.289 12.482 -1.862 259 H SER 37 H SER 37 18.926 8.106 1.249 260 HA SER 37 HA SER 37 20.122 9.682 3.366 261 HB2 SER 37 1HB SER 37 20.541 7.682 4.798 262 HB3 SER 37 2HB SER 37 18.833 8.106 4.683 263 HG SER 37 HG SER 37 18.800 5.993 4.279 264 H GLY 38 H GLY 38 22.372 9.334 3.600 265 HA2 GLY 38 1HA GLY 38 23.694 8.623 1.192 266 HA3 GLY 38 2HA GLY 38 24.471 9.011 2.720 267 HA PRO 39 HA PRO 39 25.723 4.818 3.047 268 HB2 PRO 39 1HB PRO 39 26.020 4.627 5.739 269 HB3 PRO 39 2HB PRO 39 27.147 5.518 4.708 270 HG2 PRO 39 1HG PRO 39 24.893 6.551 6.386 271 HG3 PRO 39 2HG PRO 39 26.529 7.204 6.186 272 HD2 PRO 39 1HD PRO 39 24.384 8.226 4.888 273 HD3 PRO 39 2HD PRO 39 26.014 8.223 4.184 274 H SER 40 H SER 40 24.933 2.778 3.503 275 HA SER 40 HA SER 40 22.118 2.657 4.193 276 HB2 SER 40 1HB SER 40 23.348 1.360 2.287 277 HB3 SER 40 2HB SER 40 23.799 0.246 3.578 278 HG SER 40 HG SER 40 21.118 1.038 3.255 279 H SER 41 H SER 41 21.397 0.786 5.606 280 HA SER 41 HA SER 41 23.212 0.469 7.904 281 HB2 SER 41 1HB SER 41 21.232 0.632 9.394 282 HB3 SER 41 2HB SER 41 21.521 2.121 8.493 283 HG SER 41 HG SER 41 19.751 1.788 7.334 284 H GLY 42 H GLY 42 23.116 -1.487 9.012 285 HA2 GLY 42 1HA GLY 42 22.274 -3.731 7.437 286 HA3 GLY 42 2HA GLY 42 23.025 -3.794 9.025 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.251 -15.657 10.910 2 HA2 GLY 1 1HA GLY 1 0.919 -16.505 8.646 3 HA3 GLY 1 2HA GLY 1 -0.077 -15.224 9.321 4 H SER 2 H SER 2 2.033 -15.733 6.985 5 HA SER 2 HA SER 2 3.267 -13.069 7.254 6 HB2 SER 2 1HB SER 2 4.738 -15.275 7.252 7 HB3 SER 2 2HB SER 2 4.517 -15.147 5.507 8 HG SER 2 HG SER 2 6.084 -13.670 7.170 9 H SER 3 H SER 3 3.982 -12.248 4.994 10 HA SER 3 HA SER 3 1.694 -11.765 3.475 11 HB2 SER 3 1HB SER 3 4.607 -11.503 2.694 12 HB3 SER 3 2HB SER 3 3.261 -10.831 1.774 13 HG SER 3 HG SER 3 2.746 -9.837 3.975 14 H GLY 4 H GLY 4 0.583 -13.420 2.598 15 HA2 GLY 4 1HA GLY 4 1.775 -14.812 0.365 16 HA3 GLY 4 2HA GLY 4 1.377 -15.854 1.723 17 H SER 5 H SER 5 -0.967 -15.186 2.618 18 HA SER 5 HA SER 5 -2.743 -15.809 0.429 19 HB2 SER 5 1HB SER 5 -4.436 -16.133 2.139 20 HB3 SER 5 2HB SER 5 -2.941 -16.915 2.653 21 HG SER 5 HG SER 5 -3.302 -14.274 3.435 22 H SER 6 H SER 6 -1.712 -13.346 -0.045 23 HA SER 6 HA SER 6 -3.169 -11.174 0.994 24 HB2 SER 6 1HB SER 6 -1.559 -11.577 -1.516 25 HB3 SER 6 2HB SER 6 -2.422 -10.066 -1.227 26 HG SER 6 HG SER 6 -0.943 -10.938 0.915 27 H GLY 7 H GLY 7 -5.154 -10.428 0.596 28 HA2 GLY 7 1HA GLY 7 -7.036 -11.899 -0.873 29 HA3 GLY 7 2HA GLY 7 -7.263 -10.258 -0.289 30 H GLU 8 H GLU 8 -8.198 -11.383 -2.777 31 HA GLU 8 HA GLU 8 -6.523 -10.417 -4.893 32 HB2 GLU 8 1HB GLU 8 -9.393 -11.351 -4.836 33 HB3 GLU 8 2HB GLU 8 -8.567 -10.855 -6.306 34 HG2 GLU 8 1HG GLU 8 -7.452 -13.005 -4.547 35 HG3 GLU 8 2HG GLU 8 -8.686 -13.351 -5.758 36 H LYS 9 H LYS 9 -6.201 -8.233 -4.141 37 HA LYS 9 HA LYS 9 -8.529 -6.468 -4.424 38 HB2 LYS 9 1HB LYS 9 -5.784 -5.786 -3.360 39 HB3 LYS 9 2HB LYS 9 -7.229 -4.788 -3.270 40 HG2 LYS 9 1HG LYS 9 -7.038 -7.490 -1.970 41 HG3 LYS 9 2HG LYS 9 -6.564 -5.996 -1.159 42 HD2 LYS 9 1HD LYS 9 -8.734 -6.115 -0.466 43 HD3 LYS 9 2HD LYS 9 -8.971 -5.233 -1.977 44 HE2 LYS 9 1HE LYS 9 -10.535 -6.865 -2.257 45 HE3 LYS 9 2HE LYS 9 -9.141 -7.691 -2.951 46 HZ1 LYS 9 3HZ LYS 9 -8.862 -8.975 -1.042 47 HZ2 LYS 9 1HZ LYS 9 -10.538 -8.960 -1.273 48 HZ3 LYS 9 2HZ LYS 9 -9.838 -7.972 -0.093 49 HA PRO 10 HA PRO 10 -7.161 -5.034 -8.354 50 HB2 PRO 10 1HB PRO 10 -8.373 -2.605 -8.375 51 HB3 PRO 10 2HB PRO 10 -9.257 -4.121 -8.584 52 HG2 PRO 10 1HG PRO 10 -8.936 -2.438 -6.129 53 HG3 PRO 10 2HG PRO 10 -10.389 -3.241 -6.753 54 HD2 PRO 10 1HD PRO 10 -8.913 -4.268 -4.729 55 HD3 PRO 10 2HD PRO 10 -9.779 -5.290 -5.894 56 H TYR 11 H TYR 11 -6.178 -3.698 -5.424 57 HA TYR 11 HA TYR 11 -4.275 -1.914 -6.795 58 HB2 TYR 11 1HB TYR 11 -5.332 -1.621 -3.977 59 HB3 TYR 11 2HB TYR 11 -4.236 -0.518 -4.801 60 HD1 TYR 11 HD1 TYR 11 -5.115 0.628 -6.935 61 HD2 TYR 11 HD2 TYR 11 -7.638 -1.289 -4.096 62 HE1 TYR 11 HE1 TYR 11 -7.035 1.907 -7.787 63 HE2 TYR 11 HE2 TYR 11 -9.566 -0.016 -4.940 64 HH TYR 11 HH TYR 11 -9.191 2.380 -7.535 65 H SER 12 H SER 12 -2.307 -2.753 -6.810 66 HA SER 12 HA SER 12 -1.340 -4.125 -4.395 67 HB2 SER 12 1HB SER 12 -0.406 -5.900 -5.609 68 HB3 SER 12 2HB SER 12 -1.968 -5.659 -6.391 69 HG SER 12 HG SER 12 -0.567 -5.717 -8.047 70 H CYS 13 H CYS 13 0.731 -3.681 -3.791 71 HA CYS 13 HA CYS 13 2.014 -1.450 -5.150 72 HB2 CYS 13 1HB CYS 13 1.674 -1.550 -2.637 73 HB3 CYS 13 2HB CYS 13 2.909 -2.804 -2.605 74 H ALA 14 H ALA 14 3.802 -1.595 -6.356 75 HA ALA 14 HA ALA 14 4.962 -4.239 -6.778 76 HB1 ALA 14 3HB ALA 14 4.251 -2.876 -8.717 77 HB2 ALA 14 1HB ALA 14 5.479 -1.683 -8.291 78 HB3 ALA 14 2HB ALA 14 5.959 -3.312 -8.766 79 H GLU 15 H GLU 15 5.501 -2.594 -4.354 80 HA GLU 15 HA GLU 15 8.432 -2.459 -4.625 81 HB2 GLU 15 1HB GLU 15 6.601 -0.653 -3.044 82 HB3 GLU 15 2HB GLU 15 8.344 -0.700 -2.818 83 HG2 GLU 15 1HG GLU 15 6.925 0.014 -5.375 84 HG3 GLU 15 2HG GLU 15 7.661 1.152 -4.248 85 H CYS 16 H CYS 16 5.758 -2.863 -2.315 86 HA CYS 16 HA CYS 16 7.509 -4.633 -0.736 87 HB2 CYS 16 1HB CYS 16 6.084 -4.060 1.212 88 HB3 CYS 16 2HB CYS 16 6.907 -2.657 0.537 89 H LYS 17 H LYS 17 4.983 -4.623 -2.847 90 HA LYS 17 HA LYS 17 3.434 -6.163 -3.480 91 HB2 LYS 17 1HB LYS 17 5.228 -7.826 -1.736 92 HB3 LYS 17 2HB LYS 17 3.772 -8.518 -2.440 93 HG2 LYS 17 1HG LYS 17 5.914 -7.174 -4.066 94 HG3 LYS 17 2HG LYS 17 5.886 -8.906 -3.727 95 HD2 LYS 17 1HD LYS 17 3.581 -7.449 -5.004 96 HD3 LYS 17 2HD LYS 17 4.886 -8.187 -5.938 97 HE2 LYS 17 1HE LYS 17 4.363 -10.360 -5.018 98 HE3 LYS 17 2HE LYS 17 3.142 -9.653 -3.960 99 HZ1 LYS 17 3HZ LYS 17 2.948 -9.334 -6.885 100 HZ2 LYS 17 1HZ LYS 17 1.721 -9.263 -5.722 101 HZ3 LYS 17 2HZ LYS 17 2.402 -10.753 -6.142 102 H GLU 18 H GLU 18 2.373 -4.449 -1.803 103 HA GLU 18 HA GLU 18 1.000 -6.001 0.283 104 HB2 GLU 18 1HB GLU 18 2.256 -3.856 0.864 105 HB3 GLU 18 2HB GLU 18 0.985 -3.001 0.001 106 HG2 GLU 18 1HG GLU 18 -0.624 -3.530 1.569 107 HG3 GLU 18 2HG GLU 18 0.281 -4.914 2.180 108 H THR 19 H THR 19 -1.312 -5.297 0.672 109 HA THR 19 HA THR 19 -2.669 -4.874 -1.912 110 HB THR 19 HB THR 19 -4.572 -6.207 -0.914 111 HG1 THR 19 HG1 THR 19 -2.625 -7.230 0.872 112 HG21 THR 19 3HG2 THR 19 -3.789 -8.078 -1.917 113 HG22 THR 19 1HG2 THR 19 -2.296 -8.084 -0.980 114 HG23 THR 19 2HG2 THR 19 -2.455 -7.022 -2.380 115 H PHE 20 H PHE 20 -4.756 -3.827 -1.816 116 HA PHE 20 HA PHE 20 -5.417 -2.400 0.630 117 HB2 PHE 20 1HB PHE 20 -4.820 -0.931 -1.948 118 HB3 PHE 20 2HB PHE 20 -5.420 -0.204 -0.461 119 HD1 PHE 20 HD2 PHE 20 -2.521 -1.668 -2.138 120 HD2 PHE 20 HD1 PHE 20 -3.969 0.143 1.432 121 HE1 PHE 20 HE2 PHE 20 -0.206 -1.324 -1.377 122 HE2 PHE 20 HE1 PHE 20 -1.656 0.490 2.197 123 HZ PHE 20 HZ PHE 20 0.229 -0.245 0.793 124 H SER 21 H SER 21 -7.550 -1.712 0.731 125 HA SER 21 HA SER 21 -9.335 -3.035 -1.121 126 HB2 SER 21 1HB SER 21 -11.073 -2.545 0.438 127 HB3 SER 21 2HB SER 21 -9.658 -2.974 1.400 128 HG SER 21 HG SER 21 -9.414 -0.443 1.126 129 H ASP 22 H ASP 22 -7.921 0.017 -0.843 130 HA ASP 22 HA ASP 22 -9.619 1.042 -2.969 131 HB2 ASP 22 1HB ASP 22 -10.684 1.817 -0.861 132 HB3 ASP 22 2HB ASP 22 -9.178 2.621 -0.427 133 H ASN 23 H ASN 23 -8.736 3.145 -3.831 134 HA ASN 23 HA ASN 23 -5.932 2.838 -4.291 135 HB2 ASN 23 1HB ASN 23 -7.565 3.644 -6.010 136 HB3 ASN 23 2HB ASN 23 -7.712 5.145 -5.102 137 HD21 ASN 23 1HD2 ASN 23 -6.838 6.541 -6.515 138 HD22 ASN 23 2HD2 ASN 23 -5.209 6.466 -7.085 139 H ASN 24 H ASN 24 -7.871 5.471 -2.864 140 HA ASN 24 HA ASN 24 -6.024 7.266 -2.117 141 HB2 ASN 24 1HB ASN 24 -8.577 7.022 -1.489 142 HB3 ASN 24 2HB ASN 24 -7.925 6.407 0.026 143 HD21 ASN 24 1HD2 ASN 24 -8.040 7.944 1.489 144 HD22 ASN 24 2HD2 ASN 24 -7.595 9.598 1.264 145 H ARG 25 H ARG 25 -6.602 4.184 -0.485 146 HA ARG 25 HA ARG 25 -4.766 4.607 1.629 147 HB2 ARG 25 1HB ARG 25 -6.103 2.190 0.460 148 HB3 ARG 25 2HB ARG 25 -4.840 2.000 1.668 149 HG2 ARG 25 1HG ARG 25 -6.102 3.198 3.291 150 HG3 ARG 25 2HG ARG 25 -7.293 3.688 2.084 151 HD2 ARG 25 1HD ARG 25 -8.207 1.555 1.940 152 HD3 ARG 25 2HD ARG 25 -6.772 0.790 2.619 153 HE ARG 25 HE ARG 25 -7.596 1.177 4.724 154 HH11 ARG 25 1HH1 ARG 25 -9.396 3.058 2.413 155 HH12 ARG 25 2HH1 ARG 25 -10.601 3.550 3.556 156 HH21 ARG 25 1HH2 ARG 25 -9.176 1.818 6.238 157 HH22 ARG 25 2HH2 ARG 25 -10.475 2.845 5.732 158 H LEU 26 H LEU 26 -4.483 3.089 -1.551 159 HA LEU 26 HA LEU 26 -1.793 2.215 -1.168 160 HB2 LEU 26 1HB LEU 26 -3.162 1.078 -2.762 161 HB3 LEU 26 2HB LEU 26 -3.487 2.576 -3.630 162 HG LEU 26 HG LEU 26 -0.883 2.552 -3.996 163 HD11 LEU 26 1HD1 LEU 26 -0.325 0.670 -2.647 164 HD12 LEU 26 2HD1 LEU 26 -0.116 0.196 -4.333 165 HD13 LEU 26 3HD1 LEU 26 -1.541 -0.333 -3.439 166 HD21 LEU 26 3HD2 LEU 26 -2.869 0.837 -5.480 167 HD22 LEU 26 1HD2 LEU 26 -1.264 1.249 -6.084 168 HD23 LEU 26 2HD2 LEU 26 -2.453 2.521 -5.805 169 H VAL 27 H VAL 27 -3.198 4.818 -3.165 170 HA VAL 27 HA VAL 27 -0.888 5.979 -4.093 171 HB VAL 27 HB VAL 27 -3.119 6.701 -4.801 172 HG11 VAL 27 1HG1 VAL 27 -3.988 6.682 -2.381 173 HG12 VAL 27 2HG1 VAL 27 -3.351 8.326 -2.292 174 HG13 VAL 27 3HG1 VAL 27 -4.596 7.924 -3.475 175 HG21 VAL 27 3HG2 VAL 27 -1.888 8.404 -5.559 176 HG22 VAL 27 1HG2 VAL 27 -2.502 9.318 -4.181 177 HG23 VAL 27 2HG2 VAL 27 -0.947 8.492 -4.071 178 H GLN 28 H GLN 28 -2.420 6.394 -0.944 179 HA GLN 28 HA GLN 28 -0.559 8.421 -0.098 180 HB2 GLN 28 1HB GLN 28 -2.789 6.910 1.218 181 HB3 GLN 28 2HB GLN 28 -1.659 7.837 2.195 182 HG2 GLN 28 1HG GLN 28 -2.951 9.164 -0.129 183 HG3 GLN 28 2HG GLN 28 -3.902 8.885 1.328 184 HE21 GLN 28 1HE2 GLN 28 -2.608 9.494 3.389 185 HE22 GLN 28 2HE2 GLN 28 -1.850 11.045 3.340 186 H HIS 29 H HIS 29 -0.556 5.027 -0.252 187 HA HIS 29 HA HIS 29 1.364 4.701 1.913 188 HB2 HIS 29 1HB HIS 29 -0.056 2.877 1.921 189 HB3 HIS 29 2HB HIS 29 -0.197 2.845 0.166 190 HD1 HIS 29 HD1 HIS 29 1.294 1.036 2.847 191 HD2 HIS 29 HD2 HIS 29 2.435 1.978 -1.035 192 HE1 HIS 29 HE1 HIS 29 3.095 -0.617 2.256 193 H GLN 30 H GLN 30 1.251 4.853 -1.566 194 HA GLN 30 HA GLN 30 3.699 3.682 -2.206 195 HB2 GLN 30 1HB GLN 30 2.111 5.878 -3.520 196 HB3 GLN 30 2HB GLN 30 3.617 5.282 -4.205 197 HG2 GLN 30 1HG GLN 30 2.625 3.006 -4.251 198 HG3 GLN 30 2HG GLN 30 1.098 3.710 -3.722 199 HE21 GLN 30 1HE2 GLN 30 1.369 2.281 -6.087 200 HE22 GLN 30 2HE2 GLN 30 1.121 3.353 -7.419 201 H LYS 31 H LYS 31 2.992 7.147 -1.731 202 HA LYS 31 HA LYS 31 5.539 8.155 -1.970 203 HB2 LYS 31 1HB LYS 31 4.745 10.100 -1.005 204 HB3 LYS 31 2HB LYS 31 3.248 9.332 -1.518 205 HG2 LYS 31 1HG LYS 31 3.042 8.408 0.806 206 HG3 LYS 31 2HG LYS 31 4.403 9.437 1.256 207 HD2 LYS 31 1HD LYS 31 2.683 10.839 1.792 208 HD3 LYS 31 2HD LYS 31 2.903 11.293 0.101 209 HE2 LYS 31 1HE LYS 31 0.975 9.152 0.959 210 HE3 LYS 31 2HE LYS 31 0.521 10.854 0.884 211 HZ1 LYS 31 3HZ LYS 31 1.325 10.778 -1.489 212 HZ2 LYS 31 1HZ LYS 31 -0.100 9.926 -1.163 213 HZ3 LYS 31 2HZ LYS 31 1.361 9.093 -1.342 214 H MET 32 H MET 32 4.063 6.576 0.808 215 HA MET 32 HA MET 32 5.783 7.159 2.841 216 HB2 MET 32 1HB MET 32 3.750 5.525 2.727 217 HB3 MET 32 2HB MET 32 4.975 4.304 2.406 218 HG2 MET 32 1HG MET 32 6.116 5.231 4.529 219 HG3 MET 32 2HG MET 32 4.537 5.936 4.868 220 HE1 MET 32 3HE MET 32 6.820 3.099 4.807 221 HE2 MET 32 1HE MET 32 5.923 1.686 5.363 222 HE3 MET 32 2HE MET 32 5.855 2.162 3.666 223 H HIS 33 H HIS 33 6.340 4.961 0.148 224 HA HIS 33 HA HIS 33 8.767 3.865 1.127 225 HB2 HIS 33 1HB HIS 33 7.555 4.032 -1.629 226 HB3 HIS 33 2HB HIS 33 9.111 3.262 -1.332 227 HD1 HIS 33 HD1 HIS 33 8.482 1.706 1.224 228 HD2 HIS 33 HD2 HIS 33 5.934 1.895 -2.053 229 HE1 HIS 33 HE1 HIS 33 7.022 -0.335 1.389 230 H THR 34 H THR 34 7.982 6.666 -0.849 231 HA THR 34 HA THR 34 10.635 7.276 -1.639 232 HB THR 34 HB THR 34 8.302 9.181 -1.367 233 HG1 THR 34 HG1 THR 34 8.969 7.241 -3.263 234 HG21 THR 34 3HG2 THR 34 10.913 9.805 -1.829 235 HG22 THR 34 1HG2 THR 34 9.541 10.752 -2.402 236 HG23 THR 34 2HG2 THR 34 10.311 9.580 -3.472 237 H VAL 35 H VAL 35 12.178 8.554 -0.731 238 HA VAL 35 HA VAL 35 11.871 9.148 2.098 239 HB VAL 35 HB VAL 35 14.292 9.440 0.313 240 HG11 VAL 35 1HG1 VAL 35 15.536 10.040 2.136 241 HG12 VAL 35 2HG1 VAL 35 13.995 10.787 2.561 242 HG13 VAL 35 3HG1 VAL 35 14.454 9.242 3.276 243 HG21 VAL 35 3HG2 VAL 35 14.402 7.382 2.348 244 HG22 VAL 35 1HG2 VAL 35 13.076 7.117 1.215 245 HG23 VAL 35 2HG2 VAL 35 14.728 7.275 0.618 246 H LYS 36 H LYS 36 11.688 11.130 2.969 247 HA LYS 36 HA LYS 36 11.930 13.452 1.171 248 HB2 LYS 36 1HB LYS 36 9.914 13.084 3.395 249 HB3 LYS 36 2HB LYS 36 10.070 14.505 2.370 250 HG2 LYS 36 1HG LYS 36 9.635 11.886 1.047 251 HG3 LYS 36 2HG LYS 36 8.277 12.622 1.901 252 HD2 LYS 36 1HD LYS 36 7.973 13.586 -0.140 253 HD3 LYS 36 2HD LYS 36 9.094 14.762 0.550 254 HE2 LYS 36 1HE LYS 36 10.878 13.088 -0.483 255 HE3 LYS 36 2HE LYS 36 9.532 12.718 -1.560 256 HZ1 LYS 36 3HZ LYS 36 10.132 15.536 -1.100 257 HZ2 LYS 36 1HZ LYS 36 9.605 14.757 -2.506 258 HZ3 LYS 36 2HZ LYS 36 11.230 14.664 -2.047 259 H SER 37 H SER 37 14.093 13.711 1.942 260 HA SER 37 HA SER 37 14.463 14.314 4.762 261 HB2 SER 37 1HB SER 37 16.872 14.644 4.052 262 HB3 SER 37 2HB SER 37 16.225 13.027 3.780 263 HG SER 37 HG SER 37 16.354 13.314 1.684 264 H GLY 38 H GLY 38 15.159 15.975 1.677 265 HA2 GLY 38 1HA GLY 38 14.895 18.534 3.127 266 HA3 GLY 38 2HA GLY 38 15.898 18.299 1.703 267 HA PRO 39 HA PRO 39 11.339 19.555 0.755 268 HB2 PRO 39 1HB PRO 39 11.482 22.263 0.895 269 HB3 PRO 39 2HB PRO 39 11.001 21.254 2.264 270 HG2 PRO 39 1HG PRO 39 13.660 22.492 1.665 271 HG3 PRO 39 2HG PRO 39 12.795 22.393 3.210 272 HD2 PRO 39 1HD PRO 39 14.826 20.721 2.568 273 HD3 PRO 39 2HD PRO 39 13.462 20.219 3.588 274 H SER 40 H SER 40 14.483 20.101 -0.262 275 HA SER 40 HA SER 40 13.989 21.727 -2.555 276 HB2 SER 40 1HB SER 40 16.304 19.923 -1.823 277 HB3 SER 40 2HB SER 40 16.280 20.955 -3.253 278 HG SER 40 HG SER 40 16.842 22.543 -2.016 279 H SER 41 H SER 41 12.430 20.915 -3.876 280 HA SER 41 HA SER 41 12.842 18.201 -4.942 281 HB2 SER 41 1HB SER 41 10.620 18.976 -3.748 282 HB3 SER 41 2HB SER 41 10.272 19.688 -5.323 283 HG SER 41 HG SER 41 10.700 17.556 -6.203 284 H GLY 42 H GLY 42 12.605 17.846 -7.194 285 HA2 GLY 42 1HA GLY 42 13.833 19.753 -8.835 286 HA3 GLY 42 2HA GLY 42 12.964 18.336 -9.406
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