NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
514330 | 2l86 | 17394 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 3.346 -8.802 4.745 2 H2 LYS 1 HT2 LYS 1 2.380 -9.994 3.909 3 H3 LYS 1 HT3 LYS 1 1.634 -8.538 4.523 4 HA LYS 1 HA LYS 1 2.907 -7.223 3.017 5 HB2 LYS 1 HB1 LYS 1 3.989 -9.898 2.104 6 HB3 LYS 1 HB2 LYS 1 4.189 -8.376 1.202 7 HG2 LYS 1 HG1 LYS 1 5.844 -7.663 2.536 8 HG3 LYS 1 HG2 LYS 1 5.026 -8.224 4.014 9 HD2 LYS 1 HD1 LYS 1 5.836 -10.438 3.739 10 HD3 LYS 1 HD2 LYS 1 6.368 -10.114 2.071 11 HE2 LYS 1 HE1 LYS 1 8.050 -8.525 2.930 12 HE3 LYS 1 HE2 LYS 1 7.529 -8.884 4.593 13 HZ1 LYS 1 HZ1 LYS 1 8.729 -10.742 4.615 14 HZ2 LYS 1 HZ2 LYS 1 9.483 -10.183 3.208 15 HZ3 LYS 1 HZ3 LYS 1 8.174 -11.248 3.099 16 H CYS 2 HN CYS 2 1.983 -10.428 1.745 17 HA CYS 2 HA CYS 2 0.367 -11.074 0.281 18 HB2 CYS 2 HB1 CYS 2 -0.856 -9.319 2.138 19 HB3 CYS 2 HB2 CYS 2 -1.509 -8.916 0.532 20 H ASN 3 HN ASN 3 1.412 -10.801 -1.652 21 HA ASN 3 HA ASN 3 1.616 -8.233 -2.923 22 HB2 ASN 3 HB1 ASN 3 2.158 -11.028 -3.964 23 HB3 ASN 3 HB2 ASN 3 2.538 -9.525 -4.839 24 HD21 ASN 3 1HD2 ASN 3 3.598 -7.921 -2.993 25 HD22 ASN 3 2HD2 ASN 3 5.031 -8.604 -2.311 26 H THR 4 HN THR 4 0.189 -11.237 -4.196 27 HA THR 4 HA THR 4 -2.027 -9.617 -5.275 28 HB THR 4 HB THR 4 -2.129 -11.439 -7.088 29 HG1 THR 4 HG1 THR 4 -0.207 -12.554 -7.435 30 HG21 THR 4 3HG2 THR 4 -1.432 -9.134 -7.537 31 HG22 THR 4 1HG2 THR 4 -0.456 -10.288 -8.476 32 HG23 THR 4 2HG2 THR 4 0.223 -9.529 -7.016 33 H ALA 5 HN ALA 5 -3.568 -10.056 -3.761 34 HA ALA 5 HA ALA 5 -4.884 -12.575 -3.905 35 HB1 ALA 5 HB1 ALA 5 -4.648 -13.239 -1.546 36 HB2 ALA 5 HB2 ALA 5 -3.474 -11.922 -1.309 37 HB3 ALA 5 HB3 ALA 5 -3.092 -13.267 -2.410 38 H THR 6 HN THR 6 -6.438 -12.582 -1.702 39 HA THR 6 HA THR 6 -8.360 -10.647 -2.205 40 HB THR 6 HB THR 6 -8.960 -12.667 -1.038 41 HG1 THR 6 HG1 THR 6 -9.323 -10.678 0.933 42 HG21 THR 6 3HG2 THR 6 -6.875 -13.028 0.197 43 HG22 THR 6 1HG2 THR 6 -8.278 -13.086 1.289 44 HG23 THR 6 2HG2 THR 6 -7.248 -11.636 1.241 45 H CYS 7 HN CYS 7 -5.568 -10.533 -0.126 46 HA CYS 7 HA CYS 7 -6.201 -8.511 1.634 47 HB2 CYS 7 HB1 CYS 7 -3.551 -8.885 0.219 48 HB3 CYS 7 HB2 CYS 7 -3.815 -8.012 1.748 49 H ALA 8 HN ALA 8 -5.476 -8.301 -1.773 50 HA ALA 8 HA ALA 8 -4.791 -5.691 -2.161 51 HB1 ALA 8 HB1 ALA 8 -5.918 -5.815 -4.345 52 HB2 ALA 8 HB2 ALA 8 -6.752 -7.294 -3.815 53 HB3 ALA 8 HB3 ALA 8 -4.981 -7.286 -3.990 54 H THR 9 HN THR 9 -8.026 -6.959 -1.514 55 HA THR 9 HA THR 9 -9.488 -4.614 -1.931 56 HB THR 9 HB THR 9 -10.385 -6.339 0.300 57 HG1 THR 9 HG1 THR 9 -10.631 -8.136 -0.931 58 HG21 THR 9 3HG2 THR 9 -11.845 -4.645 -0.699 59 HG22 THR 9 1HG2 THR 9 -12.492 -6.280 -0.968 60 HG23 THR 9 2HG2 THR 9 -11.665 -5.422 -2.290 61 H GLN 10 HN GLN 10 -7.933 -5.851 1.010 62 HA GLN 10 HA GLN 10 -8.802 -3.784 2.719 63 HB2 GLN 10 HB1 GLN 10 -7.175 -6.110 2.903 64 HB3 GLN 10 HB2 GLN 10 -6.239 -4.743 3.554 65 HG2 GLN 10 HG1 GLN 10 -7.443 -5.809 5.345 66 HG3 GLN 10 HG2 GLN 10 -8.140 -4.199 5.045 67 HE21 GLN 10 1HE2 GLN 10 -10.249 -4.209 5.226 68 HE22 GLN 10 2HE2 GLN 10 -11.320 -5.479 4.751 69 H ARG 11 HN ARG 11 -5.695 -4.250 1.037 70 HA ARG 11 HA ARG 11 -4.450 -1.910 1.861 71 HB2 ARG 11 HB1 ARG 11 -4.032 -3.938 -0.152 72 HB3 ARG 11 HB2 ARG 11 -3.639 -2.329 -0.804 73 HG2 ARG 11 HG1 ARG 11 -1.999 -1.947 0.861 74 HG3 ARG 11 HG2 ARG 11 -2.554 -3.332 1.832 75 HD2 ARG 11 HD1 ARG 11 -1.070 -4.625 0.788 76 HD3 ARG 11 HD2 ARG 11 -1.928 -4.334 -0.745 77 HE ARG 11 HE ARG 11 -0.298 -2.140 -0.356 78 HH11 ARG 11 1HH1 ARG 11 0.120 -5.581 -0.688 79 HH12 ARG 11 2HH1 ARG 11 1.689 -5.452 -1.409 80 HH21 ARG 11 1HH2 ARG 11 1.768 -1.958 -1.306 81 HH22 ARG 11 2HH2 ARG 11 2.626 -3.391 -1.760 82 H LEU 12 HN LEU 12 -6.025 -2.408 -1.304 83 HA LEU 12 HA LEU 12 -5.968 0.164 -2.236 84 HB2 LEU 12 HB1 LEU 12 -7.144 -2.198 -3.023 85 HB3 LEU 12 HB2 LEU 12 -8.544 -1.136 -2.738 86 HG LEU 12 HG LEU 12 -7.661 0.475 -4.343 87 HD11 LEU 12 1HD1 LEU 12 -5.702 -0.053 -5.717 88 HD12 LEU 12 2HD1 LEU 12 -5.414 -1.511 -4.737 89 HD13 LEU 12 3HD1 LEU 12 -5.276 0.101 -3.996 90 HD21 LEU 12 3HD2 LEU 12 -7.737 -2.349 -5.427 91 HD22 LEU 12 1HD2 LEU 12 -7.936 -0.859 -6.381 92 HD23 LEU 12 2HD2 LEU 12 -9.141 -1.293 -5.146 93 H ALA 13 HN ALA 13 -8.693 -1.277 -0.436 94 HA ALA 13 HA ALA 13 -10.293 0.940 -0.187 95 HB1 ALA 13 HB1 ALA 13 -11.211 -0.094 1.849 96 HB2 ALA 13 HB2 ALA 13 -9.833 -1.220 1.880 97 HB3 ALA 13 HB3 ALA 13 -10.997 -1.275 0.534 98 H ASN 14 HN ASN 14 -7.437 0.094 1.689 99 HA ASN 14 HA ASN 14 -7.738 2.118 3.656 100 HB2 ASN 14 HB1 ASN 14 -6.181 -0.045 3.514 101 HB3 ASN 14 HB2 ASN 14 -5.016 1.154 2.902 102 HD21 ASN 14 1HD2 ASN 14 -3.661 1.366 4.571 103 HD22 ASN 14 2HD2 ASN 14 -4.114 1.848 6.167 104 H PHE 15 HN PHE 15 -6.112 1.976 0.535 105 HA PHE 15 HA PHE 15 -4.865 4.539 0.803 106 HB2 PHE 15 HB1 PHE 15 -3.705 3.191 -0.671 107 HB3 PHE 15 HB2 PHE 15 -5.193 2.533 -1.393 108 HD1 PHE 15 HD1 PHE 15 -3.258 5.718 -1.117 109 HD2 PHE 15 HD2 PHE 15 -5.890 3.324 -3.453 110 HE1 PHE 15 HE1 PHE 15 -3.059 7.317 -2.975 111 HE2 PHE 15 HE2 PHE 15 -5.695 4.920 -5.315 112 HZ PHE 15 HZ PHE 15 -4.277 6.919 -5.079 113 H LEU 16 HN LEU 16 -7.963 3.411 -0.183 114 HA LEU 16 HA LEU 16 -8.655 5.748 -1.716 115 HB2 LEU 16 HB1 LEU 16 -9.993 3.236 -0.872 116 HB3 LEU 16 HB2 LEU 16 -11.042 4.635 -1.208 117 HG LEU 16 HG LEU 16 -9.859 4.761 -3.470 118 HD11 LEU 16 1HD1 LEU 16 -8.871 2.672 -4.284 119 HD12 LEU 16 2HD1 LEU 16 -9.032 1.967 -2.658 120 HD13 LEU 16 3HD1 LEU 16 -7.944 3.349 -2.925 121 HD21 LEU 16 3HD2 LEU 16 -11.561 2.345 -2.818 122 HD22 LEU 16 1HD2 LEU 16 -11.308 3.036 -4.438 123 HD23 LEU 16 2HD2 LEU 16 -12.157 3.980 -3.191 124 H VAL 17 HN VAL 17 -9.314 4.517 1.535 125 HA VAL 17 HA VAL 17 -10.981 6.753 2.242 126 HB VAL 17 HB VAL 17 -11.414 4.648 3.325 127 HG11 VAL 17 1HG1 VAL 17 -9.795 3.594 4.845 128 HG12 VAL 17 2HG1 VAL 17 -8.590 4.823 4.396 129 HG13 VAL 17 3HG1 VAL 17 -9.183 3.672 3.176 130 HG21 VAL 17 3HG2 VAL 17 -10.205 6.624 5.272 131 HG22 VAL 17 1HG2 VAL 17 -11.346 5.323 5.689 132 HG23 VAL 17 2HG2 VAL 17 -11.865 6.658 4.632 133 H HIS 18 HN HIS 18 -7.607 5.909 2.522 134 HA HIS 18 HA HIS 18 -7.108 8.310 4.138 135 HB2 HIS 18 HB1 HIS 18 -5.331 5.938 3.513 136 HB3 HIS 18 HB2 HIS 18 -4.839 7.349 4.482 137 HD1 HIS 18 HD1 HIS 18 -5.976 7.602 6.840 138 HD2 HIS 18 HD2 HIS 18 -6.865 4.059 4.860 139 HE1 HIS 18 HE1 HIS 18 -6.977 6.091 8.583 140 H SER 19 HN SER 19 -7.677 9.395 1.979 141 HA SER 19 HA SER 19 -6.079 9.323 -0.270 142 HB2 SER 19 HB1 SER 19 -7.577 11.609 1.025 143 HB3 SER 19 HB2 SER 19 -6.731 11.787 -0.531 144 HG SER 19 HG SER 19 -8.071 10.209 -1.402 145 H SER 20 HN SER 20 -5.428 10.738 2.842 146 HA SER 20 HA SER 20 -3.397 12.527 2.215 147 HB2 SER 20 HB1 SER 20 -3.893 12.732 4.430 148 HB3 SER 20 HB2 SER 20 -4.209 10.991 4.621 149 HG SER 20 HG SER 20 -2.244 11.915 5.665 150 H ASN 21 HN ASN 21 -3.326 9.035 2.499 151 HA ASN 21 HA ASN 21 -0.628 8.529 2.702 152 HB2 ASN 21 HB1 ASN 21 -2.892 7.085 1.365 153 HB3 ASN 21 HB2 ASN 21 -1.228 6.484 1.162 154 HD21 ASN 21 1HD2 ASN 21 -0.097 6.861 3.553 155 HD22 ASN 21 2HD2 ASN 21 -0.913 5.959 4.780 156 H ASN 22 HN ASN 22 -2.441 9.661 -0.054 157 HA ASN 22 HA ASN 22 -0.645 9.088 -2.109 158 HB2 ASN 22 HB1 ASN 22 -2.771 9.840 -2.773 159 HB3 ASN 22 HB2 ASN 22 -2.688 11.269 -1.715 160 HD21 ASN 22 1HD2 ASN 22 -1.396 13.028 -2.348 161 HD22 ASN 22 2HD2 ASN 22 -0.929 13.262 -3.995 162 H PHE 23 HN PHE 23 -0.783 11.833 0.114 163 HA PHE 23 HA PHE 23 1.554 13.055 -1.095 164 HB2 PHE 23 HB1 PHE 23 -0.635 14.034 0.301 165 HB3 PHE 23 HB2 PHE 23 0.704 14.163 1.468 166 HD1 PHE 23 HD2 PHE 23 2.981 14.792 -0.236 167 HD2 PHE 23 HD1 PHE 23 -1.035 16.186 -0.457 168 HE1 PHE 23 HE2 PHE 23 3.758 16.843 -1.353 169 HE2 PHE 23 HE1 PHE 23 -0.264 18.239 -1.574 170 HZ PHE 23 HZ PHE 23 2.135 18.569 -2.022 171 H GLY 24 HN GLY 24 0.664 11.660 2.058 172 HA2 GLY 24 HA1 GLY 24 3.140 11.937 3.314 173 HA3 GLY 24 HA2 GLY 24 1.947 10.707 3.704 174 H ALA 25 HN ALA 25 2.131 9.698 0.868 175 HA ALA 25 HA ALA 25 3.871 7.576 1.284 176 HB1 ALA 25 HB1 ALA 25 3.664 7.129 -1.127 177 HB2 ALA 25 HB2 ALA 25 2.938 8.739 -1.349 178 HB3 ALA 25 HB3 ALA 25 2.095 7.508 -0.379 179 H ILE 26 HN ILE 26 4.510 10.779 0.092 180 HA ILE 26 HA ILE 26 7.111 10.123 -0.971 181 HB ILE 26 HB ILE 26 5.858 12.817 -0.422 182 HG12 ILE 26 1HG1 ILE 26 6.023 12.558 -3.132 183 HG13 ILE 26 2HG1 ILE 26 5.691 10.878 -2.643 184 HG21 ILE 26 1HG2 ILE 26 7.605 13.708 -1.906 185 HG22 ILE 26 2HG2 ILE 26 8.331 12.086 -2.003 186 HG23 ILE 26 3HG2 ILE 26 8.290 12.951 -0.448 187 HD11 ILE 26 3HD1 ILE 26 3.688 11.625 -1.441 188 HD12 ILE 26 1HD1 ILE 26 3.625 12.079 -3.160 189 HD13 ILE 26 2HD1 ILE 26 4.019 13.303 -1.930 190 H LEU 27 HN LEU 27 5.787 11.150 2.058 191 HA LEU 27 HA LEU 27 8.291 12.086 3.134 192 HB2 LEU 27 HB1 LEU 27 5.539 12.210 3.853 193 HB3 LEU 27 HB2 LEU 27 6.431 11.461 5.199 194 HG LEU 27 HG LEU 27 7.347 14.053 3.985 195 HD11 LEU 27 1HD1 LEU 27 6.064 15.245 5.699 196 HD12 LEU 27 2HD1 LEU 27 5.303 13.713 6.189 197 HD13 LEU 27 3HD1 LEU 27 4.999 14.379 4.567 198 HD21 LEU 27 3HD2 LEU 27 7.640 12.805 6.726 199 HD22 LEU 27 1HD2 LEU 27 8.312 14.372 6.216 200 HD23 LEU 27 2HD2 LEU 27 8.890 12.869 5.461 201 H SER 28 HN SER 28 6.301 9.179 3.376 202 HA SER 28 HA SER 28 8.177 7.921 5.201 203 HB2 SER 28 HB1 SER 28 5.421 7.536 4.464 204 HB3 SER 28 HB2 SER 28 6.312 6.013 4.227 205 HG SER 28 HG SER 28 6.531 7.556 6.602 206 H SER 29 HN SER 29 7.152 7.639 1.834 207 HA SER 29 HA SER 29 8.048 6.563 0.040 208 HB2 SER 29 HB1 SER 29 10.101 7.891 1.218 209 HB3 SER 29 HB2 SER 29 10.718 6.222 1.289 210 HG SER 29 HG SER 29 10.174 7.842 -0.933 211 H THR 30 HN THR 30 6.886 4.986 2.187 212 HA THR 30 HA THR 30 8.498 2.568 2.298 213 HB THR 30 HB THR 30 7.302 3.243 4.322 214 HG1 THR 30 HG1 THR 30 7.042 1.186 4.734 215 HG21 THR 30 3HG2 THR 30 5.385 4.357 3.280 216 HG22 THR 30 1HG2 THR 30 4.848 3.112 4.433 217 HG23 THR 30 2HG2 THR 30 4.793 2.788 2.684 218 H ASN 31 HN ASN 31 5.773 3.855 0.575 219 HA ASN 31 HA ASN 31 5.183 1.223 -0.582 220 HB2 ASN 31 HB1 ASN 31 3.653 3.836 -0.742 221 HB3 ASN 31 HB2 ASN 31 3.149 2.303 -1.493 222 HD21 ASN 31 1HD2 ASN 31 2.242 4.171 0.837 223 HD22 ASN 31 2HD2 ASN 31 1.833 3.046 2.082 224 H VAL 32 HN VAL 32 6.495 4.350 -1.318 225 HA VAL 32 HA VAL 32 6.667 3.650 -4.168 226 HB VAL 32 HB VAL 32 5.642 5.811 -3.776 227 HG11 VAL 32 1HG1 VAL 32 6.879 7.648 -2.707 228 HG12 VAL 32 2HG1 VAL 32 8.199 6.519 -2.321 229 HG13 VAL 32 3HG1 VAL 32 6.594 6.297 -1.584 230 HG21 VAL 32 3HG2 VAL 32 8.462 6.079 -4.840 231 HG22 VAL 32 1HG2 VAL 32 7.131 7.225 -5.128 232 HG23 VAL 32 2HG2 VAL 32 7.031 5.566 -5.766 233 H GLY 33 HN GLY 33 8.559 4.522 -1.339 234 HA2 GLY 33 HA1 GLY 33 11.054 4.555 -2.807 235 HA3 GLY 33 HA2 GLY 33 10.860 4.742 -1.071 236 H SER 34 HN SER 34 9.709 2.513 -0.210 237 HA SER 34 HA SER 34 11.746 0.646 -0.089 238 HB2 SER 34 HB1 SER 34 9.359 0.964 1.185 239 HB3 SER 34 HB2 SER 34 9.015 -0.466 0.181 240 HG SER 34 HG SER 34 11.040 -0.130 2.142 241 H ASN 35 HN ASN 35 9.217 1.012 -2.450 242 HA ASN 35 HA ASN 35 9.110 -1.493 -3.603 243 HB2 ASN 35 HB1 ASN 35 7.828 0.710 -4.165 244 HB3 ASN 35 HB2 ASN 35 9.151 0.970 -5.327 245 HD21 ASN 35 1HD2 ASN 35 8.884 0.144 -7.272 246 HD22 ASN 35 2HD2 ASN 35 7.791 -1.120 -7.705 247 H THR 36 HN THR 36 11.748 0.645 -3.461 248 HA THR 36 HA THR 36 13.255 -1.083 -5.295 249 HB THR 36 HB THR 36 14.480 1.364 -5.633 250 HG1 THR 36 HG1 THR 36 12.501 2.274 -4.655 251 HG21 THR 36 3HG2 THR 36 14.100 -0.323 -7.370 252 HG22 THR 36 1HG2 THR 36 13.559 1.284 -7.912 253 HG23 THR 36 2HG2 THR 36 12.365 0.077 -7.380 254 H TYR 37 HN TYR 37 13.484 1.498 -2.857 255 HA TYR 37 HA TYR 37 16.056 0.376 -1.987 256 HB2 TYR 37 HB1 TYR 37 14.812 3.092 -1.837 257 HB3 TYR 37 HB2 TYR 37 15.988 2.619 -0.587 258 HD1 TYR 37 HD2 TYR 37 15.775 2.179 -4.311 259 HD2 TYR 37 HD1 TYR 37 18.078 3.513 -0.992 260 HE1 TYR 37 HE2 TYR 37 17.619 2.760 -5.831 261 HE2 TYR 37 HE1 TYR 37 19.928 4.098 -2.503 262 HH TYR 37 HH TYR 37 19.975 4.746 -5.188 263 HN1 NH2 38 HN1 NH2 37 13.878 2.538 0.239 264 HN2 NH2 38 HN2 NH2 37 13.545 1.181 1.456 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 4.816 -10.509 2.920 2 H2 LYS 1 HT2 LYS 1 3.500 -9.529 2.323 3 H3 LYS 1 HT3 LYS 1 4.225 -10.739 1.293 4 HA LYS 1 HA LYS 1 3.460 -12.459 2.734 5 HB2 LYS 1 HB1 LYS 1 3.052 -10.234 4.519 6 HB3 LYS 1 HB2 LYS 1 1.529 -11.131 4.309 7 HG2 LYS 1 HG1 LYS 1 3.763 -12.936 4.699 8 HG3 LYS 1 HG2 LYS 1 3.646 -11.755 6.025 9 HD2 LYS 1 HD1 LYS 1 1.155 -12.333 6.101 10 HD3 LYS 1 HD2 LYS 1 1.562 -13.722 5.065 11 HE2 LYS 1 HE1 LYS 1 3.275 -14.382 6.797 12 HE3 LYS 1 HE2 LYS 1 2.592 -13.119 7.850 13 HZ1 LYS 1 HZ1 LYS 1 0.540 -14.787 6.803 14 HZ2 LYS 1 HZ2 LYS 1 0.940 -14.466 8.415 15 HZ3 LYS 1 HZ3 LYS 1 1.713 -15.722 7.586 16 H CYS 2 HN CYS 2 1.258 -9.658 2.525 17 HA CYS 2 HA CYS 2 -0.491 -11.275 0.801 18 HB2 CYS 2 HB1 CYS 2 -0.971 -9.464 3.006 19 HB3 CYS 2 HB2 CYS 2 -1.860 -8.945 1.553 20 H ASN 3 HN ASN 3 0.344 -10.899 -1.214 21 HA ASN 3 HA ASN 3 0.543 -8.099 -2.089 22 HB2 ASN 3 HB1 ASN 3 2.221 -10.374 -2.495 23 HB3 ASN 3 HB2 ASN 3 1.557 -9.882 -4.072 24 HD21 ASN 3 1HD2 ASN 3 2.969 -8.665 -5.090 25 HD22 ASN 3 2HD2 ASN 3 3.926 -7.404 -4.399 26 H THR 4 HN THR 4 -0.193 -11.210 -3.668 27 HA THR 4 HA THR 4 -2.388 -9.859 -5.093 28 HB THR 4 HB THR 4 -1.083 -12.439 -5.948 29 HG1 THR 4 HG1 THR 4 -0.460 -9.952 -7.122 30 HG21 THR 4 3HG2 THR 4 -3.281 -11.957 -6.920 31 HG22 THR 4 1HG2 THR 4 -1.999 -11.832 -8.148 32 HG23 THR 4 2HG2 THR 4 -2.702 -10.357 -7.442 33 H ALA 5 HN ALA 5 -3.874 -10.205 -3.367 34 HA ALA 5 HA ALA 5 -5.293 -12.678 -3.584 35 HB1 ALA 5 HB1 ALA 5 -5.136 -13.347 -1.221 36 HB2 ALA 5 HB2 ALA 5 -3.929 -12.067 -0.953 37 HB3 ALA 5 HB3 ALA 5 -3.561 -13.424 -2.045 38 H THR 6 HN THR 6 -6.886 -12.626 -1.400 39 HA THR 6 HA THR 6 -8.750 -10.653 -1.955 40 HB THR 6 HB THR 6 -9.294 -12.712 -0.721 41 HG1 THR 6 HG1 THR 6 -9.911 -10.324 0.713 42 HG21 THR 6 3HG2 THR 6 -7.326 -12.814 0.733 43 HG22 THR 6 1HG2 THR 6 -8.826 -12.865 1.689 44 HG23 THR 6 2HG2 THR 6 -7.883 -11.359 1.593 45 H CYS 7 HN CYS 7 -5.974 -10.559 0.139 46 HA CYS 7 HA CYS 7 -6.575 -8.499 1.866 47 HB2 CYS 7 HB1 CYS 7 -4.014 -9.328 0.523 48 HB3 CYS 7 HB2 CYS 7 -4.060 -7.926 1.620 49 H ALA 8 HN ALA 8 -5.835 -8.354 -1.542 50 HA ALA 8 HA ALA 8 -5.101 -5.763 -1.965 51 HB1 ALA 8 HB1 ALA 8 -6.223 -5.899 -4.151 52 HB2 ALA 8 HB2 ALA 8 -7.085 -7.357 -3.602 53 HB3 ALA 8 HB3 ALA 8 -5.313 -7.381 -3.770 54 H THR 9 HN THR 9 -8.361 -6.963 -1.312 55 HA THR 9 HA THR 9 -9.779 -4.598 -1.770 56 HB THR 9 HB THR 9 -10.714 -6.272 0.484 57 HG1 THR 9 HG1 THR 9 -10.595 -7.323 -2.163 58 HG21 THR 9 3HG2 THR 9 -12.140 -4.566 -0.545 59 HG22 THR 9 1HG2 THR 9 -12.816 -6.194 -0.791 60 HG23 THR 9 2HG2 THR 9 -11.969 -5.371 -2.123 61 H GLN 10 HN GLN 10 -8.257 -5.817 1.196 62 HA GLN 10 HA GLN 10 -9.095 -3.710 2.870 63 HB2 GLN 10 HB1 GLN 10 -7.512 -6.062 3.096 64 HB3 GLN 10 HB2 GLN 10 -6.551 -4.703 3.729 65 HG2 GLN 10 HG1 GLN 10 -7.868 -4.440 5.535 66 HG3 GLN 10 HG2 GLN 10 -9.361 -4.785 4.629 67 HE21 GLN 10 1HE2 GLN 10 -6.452 -6.389 5.886 68 HE22 GLN 10 2HE2 GLN 10 -7.240 -7.864 6.314 69 H ARG 11 HN ARG 11 -5.991 -4.258 1.206 70 HA ARG 11 HA ARG 11 -4.704 -1.929 1.999 71 HB2 ARG 11 HB1 ARG 11 -4.334 -3.983 -0.009 72 HB3 ARG 11 HB2 ARG 11 -3.871 -2.384 -0.639 73 HG2 ARG 11 HG1 ARG 11 -2.196 -2.100 0.965 74 HG3 ARG 11 HG2 ARG 11 -2.876 -3.351 2.034 75 HD2 ARG 11 HD1 ARG 11 -1.458 -4.813 1.133 76 HD3 ARG 11 HD2 ARG 11 -2.332 -4.641 -0.408 77 HE ARG 11 HE ARG 11 -0.438 -2.549 -0.074 78 HH11 ARG 11 1HH1 ARG 11 -0.705 -5.934 -0.849 79 HH12 ARG 11 2HH1 ARG 11 0.741 -5.964 -1.803 80 HH21 ARG 11 1HH2 ARG 11 1.468 -2.576 -1.328 81 HH22 ARG 11 2HH2 ARG 11 1.976 -4.054 -2.074 82 H LEU 12 HN LEU 12 -6.279 -2.445 -1.163 83 HA LEU 12 HA LEU 12 -6.171 0.111 -2.133 84 HB2 LEU 12 HB1 LEU 12 -7.387 -2.240 -2.892 85 HB3 LEU 12 HB2 LEU 12 -8.768 -1.149 -2.628 86 HG LEU 12 HG LEU 12 -7.850 0.421 -4.252 87 HD11 LEU 12 1HD1 LEU 12 -5.895 -0.165 -5.609 88 HD12 LEU 12 2HD1 LEU 12 -5.638 -1.612 -4.606 89 HD13 LEU 12 3HD1 LEU 12 -5.473 0.008 -3.888 90 HD21 LEU 12 3HD2 LEU 12 -7.974 -2.418 -5.293 91 HD22 LEU 12 1HD2 LEU 12 -8.144 -0.940 -6.271 92 HD23 LEU 12 2HD2 LEU 12 -9.360 -1.332 -5.033 93 H ALA 13 HN ALA 13 -8.928 -1.254 -0.322 94 HA ALA 13 HA ALA 13 -10.488 0.996 -0.112 95 HB1 ALA 13 HB1 ALA 13 -11.430 0.010 1.937 96 HB2 ALA 13 HB2 ALA 13 -10.073 -1.140 1.990 97 HB3 ALA 13 HB3 ALA 13 -11.233 -1.194 0.642 98 H ASN 14 HN ASN 14 -7.653 0.129 1.789 99 HA ASN 14 HA ASN 14 -7.923 2.187 3.722 100 HB2 ASN 14 HB1 ASN 14 -6.246 -0.006 3.336 101 HB3 ASN 14 HB2 ASN 14 -5.166 1.403 3.204 102 HD21 ASN 14 1HD2 ASN 14 -4.365 2.136 5.032 103 HD22 ASN 14 2HD2 ASN 14 -5.023 1.898 6.611 104 H PHE 15 HN PHE 15 -6.290 1.966 0.609 105 HA PHE 15 HA PHE 15 -4.996 4.510 0.840 106 HB2 PHE 15 HB1 PHE 15 -3.858 3.119 -0.611 107 HB3 PHE 15 HB2 PHE 15 -5.356 2.478 -1.329 108 HD1 PHE 15 HD2 PHE 15 -3.356 5.624 -1.092 109 HD2 PHE 15 HD1 PHE 15 -6.035 3.252 -3.399 110 HE1 PHE 15 HE2 PHE 15 -3.119 7.191 -2.974 111 HE2 PHE 15 HE1 PHE 15 -5.802 4.816 -5.284 112 HZ PHE 15 HZ PHE 15 -4.343 6.789 -5.073 113 H LEU 16 HN LEU 16 -8.113 3.425 -0.137 114 HA LEU 16 HA LEU 16 -8.756 5.750 -1.707 115 HB2 LEU 16 HB1 LEU 16 -10.152 3.282 -0.825 116 HB3 LEU 16 HB2 LEU 16 -11.166 4.696 -1.199 117 HG LEU 16 HG LEU 16 -10.002 4.754 -3.454 118 HD11 LEU 16 1HD1 LEU 16 -8.985 2.664 -4.225 119 HD12 LEU 16 2HD1 LEU 16 -9.132 1.991 -2.584 120 HD13 LEU 16 3HD1 LEU 16 -8.065 3.384 -2.883 121 HD21 LEU 16 3HD2 LEU 16 -11.667 2.329 -2.749 122 HD22 LEU 16 1HD2 LEU 16 -11.424 2.987 -4.384 123 HD23 LEU 16 2HD2 LEU 16 -12.288 3.946 -3.158 124 H VAL 17 HN VAL 17 -9.447 4.582 1.558 125 HA VAL 17 HA VAL 17 -11.074 6.859 2.228 126 HB VAL 17 HB VAL 17 -11.550 4.779 3.340 127 HG11 VAL 17 1HG1 VAL 17 -9.956 3.719 4.882 128 HG12 VAL 17 2HG1 VAL 17 -8.726 4.919 4.419 129 HG13 VAL 17 3HG1 VAL 17 -9.337 3.760 3.214 130 HG21 VAL 17 3HG2 VAL 17 -10.309 6.760 5.262 131 HG22 VAL 17 1HG2 VAL 17 -11.477 5.489 5.693 132 HG23 VAL 17 2HG2 VAL 17 -11.966 6.818 4.616 133 H HIS 18 HN HIS 18 -7.718 5.958 2.526 134 HA HIS 18 HA HIS 18 -7.176 8.373 4.108 135 HB2 HIS 18 HB1 HIS 18 -5.443 5.961 3.528 136 HB3 HIS 18 HB2 HIS 18 -4.930 7.377 4.477 137 HD1 HIS 18 HD1 HIS 18 -6.069 7.687 6.824 138 HD2 HIS 18 HD2 HIS 18 -7.016 4.129 4.899 139 HE1 HIS 18 HE1 HIS 18 -7.104 6.223 8.588 140 H SER 19 HN SER 19 -7.719 9.435 1.930 141 HA SER 19 HA SER 19 -6.116 9.296 -0.310 142 HB2 SER 19 HB1 SER 19 -7.871 11.352 0.907 143 HB3 SER 19 HB2 SER 19 -6.668 11.959 -0.257 144 HG SER 19 HG SER 19 -8.625 11.351 -1.289 145 H SER 20 HN SER 20 -5.449 10.749 2.780 146 HA SER 20 HA SER 20 -3.382 12.488 2.131 147 HB2 SER 20 HB1 SER 20 -3.101 12.697 4.371 148 HB3 SER 20 HB2 SER 20 -4.575 11.703 4.454 149 HG SER 20 HG SER 20 -3.302 10.431 5.576 150 H ASN 21 HN ASN 21 -3.379 9.000 2.471 151 HA ASN 21 HA ASN 21 -0.690 8.447 2.692 152 HB2 ASN 21 HB1 ASN 21 -2.977 7.025 1.368 153 HB3 ASN 21 HB2 ASN 21 -1.324 6.391 1.181 154 HD21 ASN 21 1HD2 ASN 21 -0.194 6.783 3.571 155 HD22 ASN 21 2HD2 ASN 21 -1.030 5.917 4.810 156 H ASN 22 HN ASN 22 -2.475 9.570 -0.089 157 HA ASN 22 HA ASN 22 -0.682 8.930 -2.128 158 HB2 ASN 22 HB1 ASN 22 -2.791 9.710 -2.811 159 HB3 ASN 22 HB2 ASN 22 -2.683 11.155 -1.776 160 HD21 ASN 22 1HD2 ASN 22 -1.358 12.878 -2.431 161 HD22 ASN 22 2HD2 ASN 22 -0.880 13.077 -4.081 162 H PHE 23 HN PHE 23 -0.775 11.711 0.051 163 HA PHE 23 HA PHE 23 1.589 12.869 -1.170 164 HB2 PHE 23 HB1 PHE 23 -0.585 13.916 0.197 165 HB3 PHE 23 HB2 PHE 23 0.746 14.031 1.374 166 HD1 PHE 23 HD1 PHE 23 3.052 14.592 -0.306 167 HD2 PHE 23 HD2 PHE 23 -0.931 16.063 -0.602 168 HE1 PHE 23 HE1 PHE 23 3.886 16.610 -1.439 169 HE2 PHE 23 HE2 PHE 23 -0.103 18.083 -1.736 170 HZ PHE 23 HZ PHE 23 2.307 18.359 -2.156 171 H GLY 24 HN GLY 24 0.662 11.543 2.002 172 HA2 GLY 24 HA1 GLY 24 3.140 11.794 3.262 173 HA3 GLY 24 HA2 GLY 24 1.922 10.593 3.668 174 H ALA 25 HN ALA 25 2.097 9.535 0.849 175 HA ALA 25 HA ALA 25 3.794 7.388 1.303 176 HB1 ALA 25 HB1 ALA 25 3.588 6.906 -1.102 177 HB2 ALA 25 HB2 ALA 25 2.892 8.525 -1.351 178 HB3 ALA 25 HB3 ALA 25 2.023 7.325 -0.366 179 H ILE 26 HN ILE 26 4.497 10.557 0.063 180 HA ILE 26 HA ILE 26 7.088 9.837 -0.980 181 HB ILE 26 HB ILE 26 5.887 12.563 -0.478 182 HG12 ILE 26 1HG1 ILE 26 6.055 12.257 -3.183 183 HG13 ILE 26 2HG1 ILE 26 5.690 10.592 -2.668 184 HG21 ILE 26 1HG2 ILE 26 7.654 13.398 -1.969 185 HG22 ILE 26 2HG2 ILE 26 8.350 11.761 -2.039 186 HG23 ILE 26 3HG2 ILE 26 8.320 12.650 -0.497 187 HD11 ILE 26 3HD1 ILE 26 3.695 11.396 -1.487 188 HD12 ILE 26 1HD1 ILE 26 3.648 11.823 -3.214 189 HD13 ILE 26 2HD1 ILE 26 4.060 13.060 -2.002 190 H LEU 27 HN LEU 27 5.774 10.938 2.028 191 HA LEU 27 HA LEU 27 8.292 11.843 3.099 192 HB2 LEU 27 HB1 LEU 27 5.523 11.970 3.831 193 HB3 LEU 27 HB2 LEU 27 6.465 11.317 5.193 194 HG LEU 27 HG LEU 27 7.117 13.915 3.793 195 HD11 LEU 27 1HD1 LEU 27 6.093 15.030 5.718 196 HD12 LEU 27 2HD1 LEU 27 5.554 13.452 6.341 197 HD13 LEU 27 3HD1 LEU 27 4.903 14.072 4.805 198 HD21 LEU 27 3HD2 LEU 27 8.013 12.727 6.429 199 HD22 LEU 27 1HD2 LEU 27 8.457 14.333 5.803 200 HD23 LEU 27 2HD2 LEU 27 8.995 12.866 4.951 201 H SER 28 HN SER 28 6.246 8.979 3.386 202 HA SER 28 HA SER 28 8.096 7.716 5.230 203 HB2 SER 28 HB1 SER 28 5.467 7.510 5.137 204 HB3 SER 28 HB2 SER 28 5.823 6.248 3.933 205 HG SER 28 HG SER 28 5.688 5.451 6.112 206 H SER 29 HN SER 29 7.069 7.398 1.869 207 HA SER 29 HA SER 29 7.988 6.334 0.082 208 HB2 SER 29 HB1 SER 29 10.560 5.869 1.545 209 HB3 SER 29 HB2 SER 29 10.288 6.387 -0.136 210 HG SER 29 HG SER 29 9.574 8.422 0.748 211 H THR 30 HN THR 30 6.720 4.833 2.301 212 HA THR 30 HA THR 30 8.092 2.342 2.574 213 HB THR 30 HB THR 30 6.495 3.074 4.274 214 HG1 THR 30 HG1 THR 30 5.389 0.777 3.029 215 HG21 THR 30 3HG2 THR 30 4.898 4.237 2.826 216 HG22 THR 30 1HG2 THR 30 4.075 3.024 3.835 217 HG23 THR 30 2HG2 THR 30 4.401 2.680 2.120 218 H ASN 31 HN ASN 31 5.904 3.687 0.253 219 HA ASN 31 HA ASN 31 5.714 1.064 -1.077 220 HB2 ASN 31 HB1 ASN 31 3.525 1.902 -0.368 221 HB3 ASN 31 HB2 ASN 31 3.817 3.422 -1.248 222 HD21 ASN 31 1HD2 ASN 31 3.518 3.486 -3.425 223 HD22 ASN 31 2HD2 ASN 31 2.883 2.175 -4.351 224 H VAL 32 HN VAL 32 6.603 4.401 -1.365 225 HA VAL 32 HA VAL 32 6.999 4.229 -4.242 226 HB VAL 32 HB VAL 32 7.605 6.487 -2.327 227 HG11 VAL 32 1HG1 VAL 32 7.804 7.876 -4.346 228 HG12 VAL 32 2HG1 VAL 32 7.592 6.423 -5.352 229 HG13 VAL 32 3HG1 VAL 32 9.024 6.580 -4.308 230 HG21 VAL 32 3HG2 VAL 32 5.297 6.080 -4.241 231 HG22 VAL 32 1HG2 VAL 32 5.601 7.546 -3.279 232 HG23 VAL 32 2HG2 VAL 32 5.217 6.011 -2.464 233 H GLY 33 HN GLY 33 9.140 5.466 -1.675 234 HA2 GLY 33 HA1 GLY 33 11.515 4.998 -3.087 235 HA3 GLY 33 HA2 GLY 33 11.398 5.234 -1.349 236 H SER 34 HN SER 34 9.667 2.913 -0.957 237 HA SER 34 HA SER 34 11.544 0.991 -0.321 238 HB2 SER 34 HB1 SER 34 9.136 1.135 0.472 239 HB3 SER 34 HB2 SER 34 8.678 0.354 -1.061 240 HG SER 34 HG SER 34 9.115 -1.444 -0.062 241 H ASN 35 HN ASN 35 9.750 1.436 -3.311 242 HA ASN 35 HA ASN 35 10.220 -0.968 -4.585 243 HB2 ASN 35 HB1 ASN 35 8.981 1.279 -5.320 244 HB3 ASN 35 HB2 ASN 35 10.509 1.525 -6.200 245 HD21 ASN 35 1HD2 ASN 35 11.222 -0.349 -7.537 246 HD22 ASN 35 2HD2 ASN 35 10.008 -1.226 -8.398 247 H THR 36 HN THR 36 12.483 1.374 -3.615 248 HA THR 36 HA THR 36 14.546 0.174 -5.346 249 HB THR 36 HB THR 36 14.523 2.922 -4.086 250 HG1 THR 36 HG1 THR 36 13.840 3.588 -5.985 251 HG21 THR 36 3HG2 THR 36 16.787 1.988 -4.147 252 HG22 THR 36 1HG2 THR 36 16.608 3.302 -5.334 253 HG23 THR 36 2HG2 THR 36 16.585 1.607 -5.874 254 H TYR 37 HN TYR 37 13.779 1.290 -2.089 255 HA TYR 37 HA TYR 37 16.213 -0.019 -1.088 256 HB2 TYR 37 HB1 TYR 37 14.376 1.799 0.474 257 HB3 TYR 37 HB2 TYR 37 16.043 1.315 0.872 258 HD1 TYR 37 HD1 TYR 37 17.396 1.760 -1.722 259 HD2 TYR 37 HD2 TYR 37 14.494 4.132 0.290 260 HE1 TYR 37 HE1 TYR 37 18.253 3.764 -2.861 261 HE2 TYR 37 HE2 TYR 37 15.342 6.143 -0.844 262 HH TYR 37 HH TYR 37 16.623 6.847 -2.630 263 HN1 NH2 38 HN1 NH2 37 13.854 -1.824 -2.049 264 HN2 NH2 38 HN2 NH2 37 13.207 -2.605 -0.498 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 2.108 -6.071 8.584 2 H2 LYS 1 HT2 LYS 1 2.218 -7.808 8.736 3 H3 LYS 1 HT3 LYS 1 0.654 -7.038 8.630 4 HA LYS 1 HA LYS 1 1.132 -6.315 6.424 5 HB2 LYS 1 HB1 LYS 1 3.738 -7.804 6.834 6 HB3 LYS 1 HB2 LYS 1 3.149 -7.207 5.263 7 HG2 LYS 1 HG1 LYS 1 3.057 -4.900 6.463 8 HG3 LYS 1 HG2 LYS 1 4.155 -5.664 7.637 9 HD2 LYS 1 HD1 LYS 1 5.360 -6.394 5.330 10 HD3 LYS 1 HD2 LYS 1 4.623 -4.857 4.817 11 HE2 LYS 1 HE1 LYS 1 5.640 -3.930 7.035 12 HE3 LYS 1 HE2 LYS 1 6.683 -5.371 6.951 13 HZ1 LYS 1 HZ1 LYS 1 7.331 -4.649 4.694 14 HZ2 LYS 1 HZ2 LYS 1 7.775 -3.540 5.892 15 HZ3 LYS 1 HZ3 LYS 1 6.441 -3.226 4.902 16 H CYS 2 HN CYS 2 0.885 -7.756 4.530 17 HA CYS 2 HA CYS 2 0.325 -10.546 5.248 18 HB2 CYS 2 HB1 CYS 2 -1.790 -10.466 3.981 19 HB3 CYS 2 HB2 CYS 2 -1.802 -9.395 5.403 20 H ASN 3 HN ASN 3 -0.056 -11.908 3.271 21 HA ASN 3 HA ASN 3 1.304 -10.879 0.888 22 HB2 ASN 3 HB1 ASN 3 2.766 -12.294 2.606 23 HB3 ASN 3 HB2 ASN 3 1.981 -13.653 1.765 24 HD21 ASN 3 1HD2 ASN 3 4.607 -11.650 1.768 25 HD22 ASN 3 2HD2 ASN 3 5.112 -11.840 0.126 26 H THR 4 HN THR 4 -1.476 -11.413 1.445 27 HA THR 4 HA THR 4 -1.989 -13.765 -0.245 28 HB THR 4 HB THR 4 -4.428 -13.299 0.581 29 HG1 THR 4 HG1 THR 4 -4.348 -12.387 2.741 30 HG21 THR 4 3HG2 THR 4 -3.134 -15.304 1.139 31 HG22 THR 4 1HG2 THR 4 -4.047 -14.723 2.551 32 HG23 THR 4 2HG2 THR 4 -2.299 -14.409 2.432 33 H ALA 5 HN ALA 5 -4.103 -13.490 -1.562 34 HA ALA 5 HA ALA 5 -3.704 -11.196 -3.284 35 HB1 ALA 5 HB1 ALA 5 -5.344 -12.286 -4.758 36 HB2 ALA 5 HB2 ALA 5 -5.617 -13.528 -3.514 37 HB3 ALA 5 HB3 ALA 5 -4.025 -13.386 -4.296 38 H THR 6 HN THR 6 -6.392 -12.577 -1.401 39 HA THR 6 HA THR 6 -8.325 -10.670 -1.954 40 HB THR 6 HB THR 6 -8.930 -12.670 -0.764 41 HG1 THR 6 HG1 THR 6 -10.273 -10.938 -0.279 42 HG21 THR 6 3HG2 THR 6 -6.850 -13.014 0.482 43 HG22 THR 6 1HG2 THR 6 -8.258 -13.068 1.568 44 HG23 THR 6 2HG2 THR 6 -7.233 -11.614 1.512 45 H CYS 7 HN CYS 7 -5.585 -10.508 0.201 46 HA CYS 7 HA CYS 7 -6.274 -8.446 1.891 47 HB2 CYS 7 HB1 CYS 7 -3.985 -9.857 1.362 48 HB3 CYS 7 HB2 CYS 7 -3.547 -8.222 0.812 49 H ALA 8 HN ALA 8 -5.432 -8.316 -1.495 50 HA ALA 8 HA ALA 8 -4.730 -5.716 -1.918 51 HB1 ALA 8 HB1 ALA 8 -5.782 -5.890 -4.136 52 HB2 ALA 8 HB2 ALA 8 -6.633 -7.358 -3.601 53 HB3 ALA 8 HB3 ALA 8 -4.857 -7.351 -3.714 54 H THR 9 HN THR 9 -7.987 -6.966 -1.352 55 HA THR 9 HA THR 9 -9.430 -4.630 -1.874 56 HB THR 9 HB THR 9 -10.406 -6.302 0.365 57 HG1 THR 9 HG1 THR 9 -10.666 -8.115 -0.876 58 HG21 THR 9 3HG2 THR 9 -11.828 -4.628 -0.723 59 HG22 THR 9 1HG2 THR 9 -12.469 -6.269 -0.976 60 HG23 THR 9 2HG2 THR 9 -11.596 -5.444 -2.288 61 H GLN 10 HN GLN 10 -7.980 -5.798 1.146 62 HA GLN 10 HA GLN 10 -8.903 -3.694 2.777 63 HB2 GLN 10 HB1 GLN 10 -7.290 -6.016 3.072 64 HB3 GLN 10 HB2 GLN 10 -6.370 -4.636 3.719 65 HG2 GLN 10 HG1 GLN 10 -8.214 -4.069 5.199 66 HG3 GLN 10 HG2 GLN 10 -9.193 -5.390 4.517 67 HE21 GLN 10 1HE2 GLN 10 -7.700 -4.626 7.189 68 HE22 GLN 10 2HE2 GLN 10 -7.062 -6.150 7.689 69 H ARG 11 HN ARG 11 -5.742 -4.200 1.213 70 HA ARG 11 HA ARG 11 -4.521 -1.843 2.026 71 HB2 ARG 11 HB1 ARG 11 -4.037 -3.920 0.085 72 HB3 ARG 11 HB2 ARG 11 -3.627 -2.330 -0.603 73 HG2 ARG 11 HG1 ARG 11 -1.895 -1.993 0.845 74 HG3 ARG 11 HG2 ARG 11 -2.646 -2.951 2.144 75 HD2 ARG 11 HD1 ARG 11 -1.454 -4.739 1.559 76 HD3 ARG 11 HD2 ARG 11 -2.111 -4.666 -0.094 77 HE ARG 11 HE ARG 11 -0.055 -2.752 0.211 78 HH11 ARG 11 1HH1 ARG 11 -0.551 -6.189 -0.038 79 HH12 ARG 11 2HH1 ARG 11 1.004 -6.494 -0.740 80 HH21 ARG 11 1HH2 ARG 11 1.995 -3.140 -0.713 81 HH22 ARG 11 2HH2 ARG 11 2.451 -4.760 -1.122 82 H LEU 12 HN LEU 12 -5.988 -2.412 -1.180 83 HA LEU 12 HA LEU 12 -5.896 0.137 -2.169 84 HB2 LEU 12 HB1 LEU 12 -7.045 -2.241 -2.942 85 HB3 LEU 12 HB2 LEU 12 -8.453 -1.174 -2.729 86 HG LEU 12 HG LEU 12 -7.514 0.400 -4.339 87 HD11 LEU 12 1HD1 LEU 12 -5.511 -0.160 -5.633 88 HD12 LEU 12 2HD1 LEU 12 -5.259 -1.595 -4.611 89 HD13 LEU 12 3HD1 LEU 12 -5.143 0.033 -3.903 90 HD21 LEU 12 3HD2 LEU 12 -7.557 -2.448 -5.361 91 HD22 LEU 12 1HD2 LEU 12 -7.722 -0.981 -6.355 92 HD23 LEU 12 2HD2 LEU 12 -8.969 -1.386 -5.152 93 H ALA 13 HN ALA 13 -8.682 -1.260 -0.430 94 HA ALA 13 HA ALA 13 -10.287 0.963 -0.288 95 HB1 ALA 13 HB1 ALA 13 -11.274 -0.021 1.739 96 HB2 ALA 13 HB2 ALA 13 -9.900 -1.148 1.843 97 HB3 ALA 13 HB3 ALA 13 -11.018 -1.232 0.460 98 H ASN 14 HN ASN 14 -7.498 0.160 1.706 99 HA ASN 14 HA ASN 14 -7.863 2.228 3.612 100 HB2 ASN 14 HB1 ASN 14 -6.026 0.100 3.160 101 HB3 ASN 14 HB2 ASN 14 -5.084 1.602 3.326 102 HD21 ASN 14 1HD2 ASN 14 -4.244 1.265 5.313 103 HD22 ASN 14 2HD2 ASN 14 -5.181 1.125 6.759 104 H PHE 15 HN PHE 15 -6.132 2.014 0.553 105 HA PHE 15 HA PHE 15 -4.890 4.583 0.804 106 HB2 PHE 15 HB1 PHE 15 -3.684 3.201 -0.600 107 HB3 PHE 15 HB2 PHE 15 -5.147 2.527 -1.356 108 HD1 PHE 15 HD1 PHE 15 -3.217 5.713 -1.088 109 HD2 PHE 15 HD2 PHE 15 -5.772 3.269 -3.457 110 HE1 PHE 15 HE1 PHE 15 -2.953 7.271 -2.974 111 HE2 PHE 15 HE2 PHE 15 -5.511 4.821 -5.347 112 HZ PHE 15 HZ PHE 15 -4.099 6.826 -5.107 113 H LEU 16 HN LEU 16 -7.956 3.432 -0.261 114 HA LEU 16 HA LEU 16 -8.592 5.732 -1.870 115 HB2 LEU 16 HB1 LEU 16 -9.958 3.241 -1.018 116 HB3 LEU 16 HB2 LEU 16 -10.998 4.632 -1.409 117 HG LEU 16 HG LEU 16 -9.803 4.725 -3.642 118 HD11 LEU 16 1HD1 LEU 16 -8.700 2.672 -4.397 119 HD12 LEU 16 2HD1 LEU 16 -8.854 1.992 -2.760 120 HD13 LEU 16 3HD1 LEU 16 -7.830 3.422 -3.038 121 HD21 LEU 16 3HD2 LEU 16 -11.396 2.242 -2.967 122 HD22 LEU 16 1HD2 LEU 16 -11.149 2.911 -4.597 123 HD23 LEU 16 2HD2 LEU 16 -12.064 3.838 -3.385 124 H VAL 17 HN VAL 17 -9.364 4.581 1.383 125 HA VAL 17 HA VAL 17 -11.047 6.836 1.981 126 HB VAL 17 HB VAL 17 -11.524 4.759 3.100 127 HG11 VAL 17 1HG1 VAL 17 -9.958 3.738 4.696 128 HG12 VAL 17 2HG1 VAL 17 -8.735 4.955 4.258 129 HG13 VAL 17 3HG1 VAL 17 -9.291 3.776 3.047 130 HG21 VAL 17 3HG2 VAL 17 -10.370 6.777 5.039 131 HG22 VAL 17 1HG2 VAL 17 -11.531 5.491 5.448 132 HG23 VAL 17 2HG2 VAL 17 -12.008 6.803 4.344 133 H HIS 18 HN HIS 18 -7.686 5.992 2.398 134 HA HIS 18 HA HIS 18 -7.235 8.430 3.970 135 HB2 HIS 18 HB1 HIS 18 -5.444 6.042 3.467 136 HB3 HIS 18 HB2 HIS 18 -4.987 7.475 4.420 137 HD1 HIS 18 HD1 HIS 18 -6.210 7.784 6.726 138 HD2 HIS 18 HD2 HIS 18 -7.027 4.195 4.800 139 HE1 HIS 18 HE1 HIS 18 -7.276 6.316 8.467 140 H SER 19 HN SER 19 -7.720 9.475 1.775 141 HA SER 19 HA SER 19 -6.058 9.340 -0.422 142 HB2 SER 19 HB1 SER 19 -8.001 11.219 0.646 143 HB3 SER 19 HB2 SER 19 -6.663 12.067 -0.167 144 HG SER 19 HG SER 19 -7.893 11.595 -1.854 145 H SER 20 HN SER 20 -5.480 10.810 2.680 146 HA SER 20 HA SER 20 -3.409 12.562 2.074 147 HB2 SER 20 HB1 SER 20 -4.637 11.631 4.392 148 HB3 SER 20 HB2 SER 20 -2.944 11.109 4.567 149 HG SER 20 HG SER 20 -3.967 13.732 4.232 150 H ASN 21 HN ASN 21 -3.394 9.076 2.432 151 HA ASN 21 HA ASN 21 -0.708 8.541 2.730 152 HB2 ASN 21 HB1 ASN 21 -2.954 7.097 1.366 153 HB3 ASN 21 HB2 ASN 21 -1.293 6.473 1.211 154 HD21 ASN 21 1HD2 ASN 21 -0.861 4.947 2.615 155 HD22 ASN 21 2HD2 ASN 21 -1.461 4.831 4.231 156 H ASN 22 HN ASN 22 -2.423 9.640 -0.100 157 HA ASN 22 HA ASN 22 -0.593 8.994 -2.099 158 HB2 ASN 22 HB1 ASN 22 -2.675 9.797 -2.828 159 HB3 ASN 22 HB2 ASN 22 -2.581 11.236 -1.784 160 HD21 ASN 22 1HD2 ASN 22 -1.229 12.952 -2.404 161 HD22 ASN 22 2HD2 ASN 22 -0.712 13.153 -4.040 162 H PHE 23 HN PHE 23 -0.703 11.777 0.080 163 HA PHE 23 HA PHE 23 1.699 12.909 -1.090 164 HB2 PHE 23 HB1 PHE 23 -0.092 14.413 -0.380 165 HB3 PHE 23 HB2 PHE 23 0.033 13.788 1.282 166 HD1 PHE 23 HD1 PHE 23 2.690 14.788 -1.141 167 HD2 PHE 23 HD2 PHE 23 0.777 15.551 2.584 168 HE1 PHE 23 HE1 PHE 23 4.382 16.498 -0.627 169 HE2 PHE 23 HE2 PHE 23 2.466 17.263 3.104 170 HZ PHE 23 HZ PHE 23 4.271 17.740 1.497 171 H GLY 24 HN GLY 24 0.690 11.576 2.052 172 HA2 GLY 24 HA1 GLY 24 3.135 11.809 3.376 173 HA3 GLY 24 HA2 GLY 24 1.903 10.612 3.743 174 H ALA 25 HN ALA 25 2.112 9.525 0.965 175 HA ALA 25 HA ALA 25 3.827 7.398 1.450 176 HB1 ALA 25 HB1 ALA 25 3.624 6.878 -0.947 177 HB2 ALA 25 HB2 ALA 25 2.912 8.486 -1.221 178 HB3 ALA 25 HB3 ALA 25 2.056 7.292 -0.215 179 H ILE 26 HN ILE 26 4.505 10.557 0.178 180 HA ILE 26 HA ILE 26 7.096 9.847 -0.870 181 HB ILE 26 HB ILE 26 5.877 12.568 -0.384 182 HG12 ILE 26 1HG1 ILE 26 6.041 12.240 -3.088 183 HG13 ILE 26 2HG1 ILE 26 5.681 10.580 -2.556 184 HG21 ILE 26 1HG2 ILE 26 7.632 13.404 -1.886 185 HG22 ILE 26 2HG2 ILE 26 8.341 11.773 -1.946 186 HG23 ILE 26 3HG2 ILE 26 8.309 12.674 -0.412 187 HD11 ILE 26 3HD1 ILE 26 3.690 11.390 -1.375 188 HD12 ILE 26 1HD1 ILE 26 3.636 11.801 -3.106 189 HD13 ILE 26 2HD1 ILE 26 4.050 13.050 -1.907 190 H LEU 27 HN LEU 27 5.786 10.967 2.134 191 HA LEU 27 HA LEU 27 8.302 11.896 3.188 192 HB2 LEU 27 HB1 LEU 27 5.586 12.165 3.869 193 HB3 LEU 27 HB2 LEU 27 6.348 11.292 5.220 194 HG LEU 27 HG LEU 27 7.572 13.825 4.178 195 HD11 LEU 27 1HD1 LEU 27 6.252 15.101 5.801 196 HD12 LEU 27 2HD1 LEU 27 5.303 13.641 6.170 197 HD13 LEU 27 3HD1 LEU 27 5.223 14.368 4.547 198 HD21 LEU 27 3HD2 LEU 27 7.479 12.495 6.895 199 HD22 LEU 27 1HD2 LEU 27 8.347 13.997 6.498 200 HD23 LEU 27 2HD2 LEU 27 8.844 12.459 5.754 201 H SER 28 HN SER 28 6.281 9.016 3.498 202 HA SER 28 HA SER 28 8.143 7.781 5.348 203 HB2 SER 28 HB1 SER 28 5.642 6.664 4.043 204 HB3 SER 28 HB2 SER 28 6.569 5.889 5.351 205 HG SER 28 HG SER 28 4.662 7.176 5.986 206 H SER 29 HN SER 29 7.109 7.426 1.993 207 HA SER 29 HA SER 29 8.017 6.336 0.214 208 HB2 SER 29 HB1 SER 29 10.655 5.832 1.413 209 HB3 SER 29 HB2 SER 29 10.226 6.720 -0.069 210 HG SER 29 HG SER 29 9.574 8.465 1.357 211 H THR 30 HN THR 30 6.723 4.811 2.298 212 HA THR 30 HA THR 30 8.226 2.362 2.604 213 HB THR 30 HB THR 30 6.669 3.182 4.371 214 HG1 THR 30 HG1 THR 30 7.235 0.858 3.929 215 HG21 THR 30 3HG2 THR 30 4.882 4.029 2.926 216 HG22 THR 30 1HG2 THR 30 4.253 2.827 4.078 217 HG23 THR 30 2HG2 THR 30 4.533 2.371 2.381 218 H ASN 31 HN ASN 31 5.735 3.627 0.516 219 HA ASN 31 HA ASN 31 5.485 0.998 -0.782 220 HB2 ASN 31 HB1 ASN 31 3.350 1.850 -0.032 221 HB3 ASN 31 HB2 ASN 31 3.653 3.410 -0.834 222 HD21 ASN 31 1HD2 ASN 31 4.162 0.096 -1.982 223 HD22 ASN 31 2HD2 ASN 31 3.111 0.220 -3.349 224 H VAL 32 HN VAL 32 6.386 4.328 -1.241 225 HA VAL 32 HA VAL 32 6.734 3.960 -4.117 226 HB VAL 32 HB VAL 32 7.321 6.429 -2.484 227 HG11 VAL 32 1HG1 VAL 32 7.123 7.587 -4.642 228 HG12 VAL 32 2HG1 VAL 32 6.867 6.021 -5.447 229 HG13 VAL 32 3HG1 VAL 32 8.424 6.373 -4.660 230 HG21 VAL 32 3HG2 VAL 32 4.792 5.680 -3.968 231 HG22 VAL 32 1HG2 VAL 32 5.128 7.261 -3.222 232 HG23 VAL 32 2HG2 VAL 32 4.978 5.810 -2.203 233 H GLY 33 HN GLY 33 8.666 4.768 -1.245 234 HA2 GLY 33 HA1 GLY 33 11.146 4.766 -2.685 235 HA3 GLY 33 HA2 GLY 33 10.955 4.822 -0.940 236 H SER 34 HN SER 34 9.704 2.527 -0.316 237 HA SER 34 HA SER 34 11.725 0.631 -0.293 238 HB2 SER 34 HB1 SER 34 9.541 0.811 1.124 239 HB3 SER 34 HB2 SER 34 8.832 -0.197 -0.161 240 HG SER 34 HG SER 34 10.000 -1.859 0.488 241 H ASN 35 HN ASN 35 9.272 1.242 -2.681 242 HA ASN 35 HA ASN 35 9.159 -1.154 -4.049 243 HB2 ASN 35 HB1 ASN 35 7.967 1.160 -4.447 244 HB3 ASN 35 HB2 ASN 35 9.301 1.408 -5.598 245 HD21 ASN 35 1HD2 ASN 35 9.159 0.509 -7.552 246 HD22 ASN 35 2HD2 ASN 35 7.935 -0.601 -8.057 247 H THR 36 HN THR 36 11.827 0.912 -3.648 248 HA THR 36 HA THR 36 13.362 -0.688 -5.571 249 HB THR 36 HB THR 36 14.636 1.744 -5.706 250 HG1 THR 36 HG1 THR 36 12.809 2.752 -4.703 251 HG21 THR 36 3HG2 THR 36 14.227 0.215 -7.576 252 HG22 THR 36 1HG2 THR 36 13.738 1.874 -7.992 253 HG23 THR 36 2HG2 THR 36 12.504 0.664 -7.569 254 H TYR 37 HN TYR 37 13.632 1.777 -3.011 255 HA TYR 37 HA TYR 37 16.111 0.483 -2.111 256 HB2 TYR 37 HB1 TYR 37 14.967 3.240 -1.651 257 HB3 TYR 37 HB2 TYR 37 16.347 2.606 -0.722 258 HD1 TYR 37 HD2 TYR 37 15.228 3.186 -4.247 259 HD2 TYR 37 HD1 TYR 37 18.504 2.918 -1.545 260 HE1 TYR 37 HE2 TYR 37 16.756 3.906 -6.035 261 HE2 TYR 37 HE1 TYR 37 20.039 3.639 -3.325 262 HH TYR 37 HH TYR 37 19.893 4.941 -5.467 263 HN1 NH2 38 HN1 NH2 37 12.531 0.708 -1.327 264 HN2 NH2 38 HN2 NH2 37 12.689 0.136 0.429 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 5.307 -5.218 3.106 2 H2 LYS 1 HT2 LYS 1 4.165 -4.782 1.858 3 H3 LYS 1 HT3 LYS 1 4.968 -6.333 1.804 4 HA LYS 1 HA LYS 1 3.878 -6.993 3.804 5 HB2 LYS 1 HB1 LYS 1 2.058 -5.593 4.735 6 HB3 LYS 1 HB2 LYS 1 3.667 -4.851 4.903 7 HG2 LYS 1 HG1 LYS 1 2.989 -3.034 3.822 8 HG3 LYS 1 HG2 LYS 1 2.470 -4.011 2.427 9 HD2 LYS 1 HD1 LYS 1 0.559 -2.803 3.209 10 HD3 LYS 1 HD2 LYS 1 0.343 -4.507 3.678 11 HE2 LYS 1 HE1 LYS 1 1.491 -3.733 5.910 12 HE3 LYS 1 HE2 LYS 1 0.969 -2.114 5.385 13 HZ1 LYS 1 HZ1 LYS 1 -1.079 -2.565 6.051 14 HZ2 LYS 1 HZ2 LYS 1 -0.550 -4.047 6.673 15 HZ3 LYS 1 HZ3 LYS 1 -1.158 -3.959 5.095 16 H CYS 2 HN CYS 2 2.197 -8.354 3.453 17 HA CYS 2 HA CYS 2 0.547 -9.456 2.343 18 HB2 CYS 2 HB1 CYS 2 -0.147 -6.613 2.129 19 HB3 CYS 2 HB2 CYS 2 -0.852 -7.624 0.844 20 H ASN 3 HN ASN 3 -0.458 -9.715 0.028 21 HA ASN 3 HA ASN 3 1.306 -8.940 -2.125 22 HB2 ASN 3 HB1 ASN 3 1.985 -11.239 -0.793 23 HB3 ASN 3 HB2 ASN 3 0.945 -11.863 -2.096 24 HD21 ASN 3 1HD2 ASN 3 2.321 -12.710 -3.510 25 HD22 ASN 3 2HD2 ASN 3 3.664 -11.890 -4.224 26 H THR 4 HN THR 4 0.541 -10.602 -4.100 27 HA THR 4 HA THR 4 -1.981 -9.659 -4.836 28 HB THR 4 HB THR 4 -1.283 -12.199 -6.107 29 HG1 THR 4 HG1 THR 4 0.689 -11.502 -6.939 30 HG21 THR 4 3HG2 THR 4 -2.816 -10.564 -7.093 31 HG22 THR 4 1HG2 THR 4 -1.397 -10.817 -8.138 32 HG23 THR 4 2HG2 THR 4 -1.509 -9.356 -7.128 33 H ALA 5 HN ALA 5 -3.650 -10.069 -3.466 34 HA ALA 5 HA ALA 5 -4.949 -12.569 -3.615 35 HB1 ALA 5 HB1 ALA 5 -4.807 -13.267 -1.260 36 HB2 ALA 5 HB2 ALA 5 -3.626 -11.970 -0.961 37 HB3 ALA 5 HB3 ALA 5 -3.221 -13.305 -2.067 38 H THR 6 HN THR 6 -6.559 -12.572 -1.435 39 HA THR 6 HA THR 6 -8.463 -10.638 -1.988 40 HB THR 6 HB THR 6 -8.115 -12.031 0.672 41 HG1 THR 6 HG1 THR 6 -9.332 -13.686 -0.241 42 HG21 THR 6 3HG2 THR 6 -9.744 -10.203 0.716 43 HG22 THR 6 1HG2 THR 6 -10.555 -11.782 0.840 44 HG23 THR 6 2HG2 THR 6 -10.564 -10.897 -0.703 45 H CYS 7 HN CYS 7 -5.706 -10.498 0.136 46 HA CYS 7 HA CYS 7 -6.366 -8.450 1.856 47 HB2 CYS 7 HB1 CYS 7 -4.286 -9.634 2.089 48 HB3 CYS 7 HB2 CYS 7 -3.728 -9.049 0.503 49 H ALA 8 HN ALA 8 -5.581 -8.291 -1.542 50 HA ALA 8 HA ALA 8 -4.884 -5.688 -1.954 51 HB1 ALA 8 HB1 ALA 8 -5.971 -5.843 -4.156 52 HB2 ALA 8 HB2 ALA 8 -6.818 -7.312 -3.618 53 HB3 ALA 8 HB3 ALA 8 -5.044 -7.310 -3.762 54 H THR 9 HN THR 9 -8.133 -6.940 -1.344 55 HA THR 9 HA THR 9 -9.581 -4.599 -1.822 56 HB THR 9 HB THR 9 -10.520 -6.289 0.419 57 HG1 THR 9 HG1 THR 9 -10.476 -8.126 -0.649 58 HG21 THR 9 3HG2 THR 9 -11.959 -4.605 -0.627 59 HG22 THR 9 1HG2 THR 9 -12.605 -6.243 -0.883 60 HG23 THR 9 2HG2 THR 9 -11.755 -5.406 -2.203 61 H GLN 10 HN GLN 10 -8.080 -5.794 1.164 62 HA GLN 10 HA GLN 10 -8.974 -3.700 2.827 63 HB2 GLN 10 HB1 GLN 10 -8.047 -5.915 3.581 64 HB3 GLN 10 HB2 GLN 10 -6.430 -5.304 3.157 65 HG2 GLN 10 HG1 GLN 10 -7.107 -3.318 4.737 66 HG3 GLN 10 HG2 GLN 10 -8.255 -4.510 5.393 67 HE21 GLN 10 1HE2 GLN 10 -7.534 -6.000 6.777 68 HE22 GLN 10 2HE2 GLN 10 -5.879 -6.234 7.217 69 H ARG 11 HN ARG 11 -5.841 -4.200 1.205 70 HA ARG 11 HA ARG 11 -4.601 -1.851 2.015 71 HB2 ARG 11 HB1 ARG 11 -4.182 -3.890 -0.007 72 HB3 ARG 11 HB2 ARG 11 -3.709 -2.279 -0.599 73 HG2 ARG 11 HG1 ARG 11 -2.041 -2.038 0.989 74 HG3 ARG 11 HG2 ARG 11 -2.779 -3.222 2.096 75 HD2 ARG 11 HD1 ARG 11 -1.365 -4.745 1.289 76 HD3 ARG 11 HD2 ARG 11 -2.240 -4.648 -0.258 77 HE ARG 11 HE ARG 11 -0.233 -2.612 0.053 78 HH11 ARG 11 1HH1 ARG 11 -0.839 -5.901 -0.915 79 HH12 ARG 11 2HH1 ARG 11 0.538 -5.985 -1.963 80 HH21 ARG 11 1HH2 ARG 11 1.583 -2.710 -1.323 81 HH22 ARG 11 2HH2 ARG 11 1.916 -4.169 -2.193 82 H LEU 12 HN LEU 12 -6.123 -2.390 -1.169 83 HA LEU 12 HA LEU 12 -6.045 0.168 -2.136 84 HB2 LEU 12 HB1 LEU 12 -7.211 -2.202 -2.910 85 HB3 LEU 12 HB2 LEU 12 -8.614 -1.133 -2.666 86 HG LEU 12 HG LEU 12 -7.699 0.452 -4.278 87 HD11 LEU 12 1HD1 LEU 12 -5.719 -0.103 -5.608 88 HD12 LEU 12 2HD1 LEU 12 -5.452 -1.546 -4.602 89 HD13 LEU 12 3HD1 LEU 12 -5.322 0.077 -3.882 90 HD21 LEU 12 3HD2 LEU 12 -7.765 -2.389 -5.321 91 HD22 LEU 12 1HD2 LEU 12 -7.944 -0.913 -6.300 92 HD23 LEU 12 2HD2 LEU 12 -9.171 -1.325 -5.079 93 H ALA 13 HN ALA 13 -8.803 -1.241 -0.361 94 HA ALA 13 HA ALA 13 -10.402 0.984 -0.173 95 HB1 ALA 13 HB1 ALA 13 -11.353 -0.016 1.865 96 HB2 ALA 13 HB2 ALA 13 -9.978 -1.144 1.935 97 HB3 ALA 13 HB3 ALA 13 -11.121 -1.218 0.573 98 H ASN 14 HN ASN 14 -7.580 0.160 1.766 99 HA ASN 14 HA ASN 14 -7.907 2.215 3.695 100 HB2 ASN 14 HB1 ASN 14 -6.062 0.096 3.172 101 HB3 ASN 14 HB2 ASN 14 -5.138 1.603 3.384 102 HD21 ASN 14 1HD2 ASN 14 -6.796 -0.910 4.925 103 HD22 ASN 14 2HD2 ASN 14 -6.759 -0.282 6.533 104 H PHE 15 HN PHE 15 -6.229 2.021 0.605 105 HA PHE 15 HA PHE 15 -4.980 4.585 0.853 106 HB2 PHE 15 HB1 PHE 15 -3.802 3.211 -0.583 107 HB3 PHE 15 HB2 PHE 15 -5.280 2.548 -1.320 108 HD1 PHE 15 HD1 PHE 15 -3.333 5.725 -1.057 109 HD2 PHE 15 HD2 PHE 15 -5.942 3.312 -3.401 110 HE1 PHE 15 HE1 PHE 15 -3.097 7.298 -2.933 111 HE2 PHE 15 HE2 PHE 15 -5.708 4.882 -5.282 112 HZ PHE 15 HZ PHE 15 -4.284 6.877 -5.050 113 H LEU 16 HN LEU 16 -8.066 3.450 -0.166 114 HA LEU 16 HA LEU 16 -8.726 5.764 -1.745 115 HB2 LEU 16 HB1 LEU 16 -10.091 3.274 -0.881 116 HB3 LEU 16 HB2 LEU 16 -11.125 4.672 -1.261 117 HG LEU 16 HG LEU 16 -9.879 4.748 -3.499 118 HD11 LEU 16 1HD1 LEU 16 -8.936 2.620 -4.260 119 HD12 LEU 16 2HD1 LEU 16 -9.150 1.945 -2.627 120 HD13 LEU 16 3HD1 LEU 16 -8.017 3.292 -2.893 121 HD21 LEU 16 3HD2 LEU 16 -11.664 2.393 -2.846 122 HD22 LEU 16 1HD2 LEU 16 -11.354 3.048 -4.472 123 HD23 LEU 16 2HD2 LEU 16 -12.203 4.038 -3.261 124 H VAL 17 HN VAL 17 -9.443 4.587 1.513 125 HA VAL 17 HA VAL 17 -11.109 6.840 2.160 126 HB VAL 17 HB VAL 17 -11.571 4.754 3.267 127 HG11 VAL 17 1HG1 VAL 17 -9.981 3.716 4.828 128 HG12 VAL 17 2HG1 VAL 17 -8.764 4.934 4.380 129 HG13 VAL 17 3HG1 VAL 17 -9.343 3.767 3.167 130 HG21 VAL 17 3HG2 VAL 17 -10.382 6.752 5.204 131 HG22 VAL 17 1HG2 VAL 17 -11.537 5.464 5.622 132 HG23 VAL 17 2HG2 VAL 17 -12.032 6.785 4.537 133 H HIS 18 HN HIS 18 -7.745 5.987 2.506 134 HA HIS 18 HA HIS 18 -7.261 8.412 4.091 135 HB2 HIS 18 HB1 HIS 18 -5.483 6.025 3.539 136 HB3 HIS 18 HB2 HIS 18 -5.008 7.448 4.497 137 HD1 HIS 18 HD1 HIS 18 -6.194 7.741 6.824 138 HD2 HIS 18 HD2 HIS 18 -7.046 4.167 4.884 139 HE1 HIS 18 HE1 HIS 18 -7.234 6.259 8.569 140 H SER 19 HN SER 19 -7.781 9.472 1.912 141 HA SER 19 HA SER 19 -6.156 9.351 -0.312 142 HB2 SER 19 HB1 SER 19 -8.303 10.743 0.114 143 HB3 SER 19 HB2 SER 19 -7.187 11.992 0.718 144 HG SER 19 HG SER 19 -7.352 10.876 -1.885 145 H SER 20 HN SER 20 -5.525 10.797 2.789 146 HA SER 20 HA SER 20 -3.462 12.550 2.162 147 HB2 SER 20 HB1 SER 20 -4.675 11.895 4.453 148 HB3 SER 20 HB2 SER 20 -3.201 10.916 4.647 149 HG SER 20 HG SER 20 -2.403 12.751 5.338 150 H ASN 21 HN ASN 21 -3.445 9.062 2.495 151 HA ASN 21 HA ASN 21 -0.755 8.522 2.743 152 HB2 ASN 21 HB1 ASN 21 -3.028 7.091 1.406 153 HB3 ASN 21 HB2 ASN 21 -1.371 6.466 1.218 154 HD21 ASN 21 1HD2 ASN 21 -0.918 4.927 2.604 155 HD22 ASN 21 2HD2 ASN 21 -1.492 4.799 4.228 156 H ASN 22 HN ASN 22 -2.517 9.645 -0.050 157 HA ASN 22 HA ASN 22 -0.721 9.011 -2.082 158 HB2 ASN 22 HB1 ASN 22 -2.814 9.822 -2.772 159 HB3 ASN 22 HB2 ASN 22 -2.701 11.253 -1.720 160 HD21 ASN 22 1HD2 ASN 22 -1.354 12.972 -2.347 161 HD22 ASN 22 2HD2 ASN 22 -0.864 13.185 -3.991 162 H PHE 23 HN PHE 23 -0.789 11.775 0.119 163 HA PHE 23 HA PHE 23 1.594 12.914 -1.084 164 HB2 PHE 23 HB1 PHE 23 -0.185 14.411 -0.330 165 HB3 PHE 23 HB2 PHE 23 -0.024 13.777 1.326 166 HD1 PHE 23 HD2 PHE 23 2.518 14.865 -1.189 167 HD2 PHE 23 HD1 PHE 23 0.807 15.465 2.662 168 HE1 PHE 23 HE2 PHE 23 4.220 16.575 -0.702 169 HE2 PHE 23 HE1 PHE 23 2.505 17.175 3.154 170 HZ PHE 23 HZ PHE 23 4.215 17.731 1.471 171 H GLY 24 HN GLY 24 0.635 11.559 2.065 172 HA2 GLY 24 HA1 GLY 24 3.104 11.777 3.349 173 HA3 GLY 24 HA2 GLY 24 1.876 10.579 3.728 174 H ALA 25 HN ALA 25 2.036 9.511 0.938 175 HA ALA 25 HA ALA 25 3.756 7.379 1.379 176 HB1 ALA 25 HB1 ALA 25 3.511 6.877 -1.018 177 HB2 ALA 25 HB2 ALA 25 2.797 8.488 -1.268 178 HB3 ALA 25 HB3 ALA 25 1.956 7.289 -0.256 179 H ILE 26 HN ILE 26 4.416 10.548 0.120 180 HA ILE 26 HA ILE 26 6.989 9.842 -0.980 181 HB ILE 26 HB ILE 26 5.782 12.560 -0.450 182 HG12 ILE 26 1HG1 ILE 26 5.899 12.254 -3.159 183 HG13 ILE 26 2HG1 ILE 26 5.546 10.590 -2.634 184 HG21 ILE 26 1HG2 ILE 26 7.513 13.407 -1.977 185 HG22 ILE 26 2HG2 ILE 26 8.218 11.775 -2.062 186 HG23 ILE 26 3HG2 ILE 26 8.214 12.664 -0.519 187 HD11 ILE 26 3HD1 ILE 26 3.575 11.393 -1.415 188 HD12 ILE 26 1HD1 ILE 26 3.493 11.818 -3.141 189 HD13 ILE 26 2HD1 ILE 26 3.928 13.057 -1.940 190 H LEU 27 HN LEU 27 5.731 10.943 2.055 191 HA LEU 27 HA LEU 27 8.269 11.857 3.073 192 HB2 LEU 27 HB1 LEU 27 5.482 11.689 4.035 193 HB3 LEU 27 HB2 LEU 27 6.737 11.533 5.288 194 HG LEU 27 HG LEU 27 6.753 13.837 3.357 195 HD11 LEU 27 1HD1 LEU 27 5.496 15.147 5.001 196 HD12 LEU 27 2HD1 LEU 27 5.245 13.678 5.974 197 HD13 LEU 27 3HD1 LEU 27 4.524 13.805 4.351 198 HD21 LEU 27 3HD2 LEU 27 7.788 13.459 6.175 199 HD22 LEU 27 1HD2 LEU 27 7.945 14.936 5.195 200 HD23 LEU 27 2HD2 LEU 27 8.763 13.439 4.687 201 H SER 28 HN SER 28 6.242 8.982 3.398 202 HA SER 28 HA SER 28 8.130 7.728 5.210 203 HB2 SER 28 HB1 SER 28 6.381 5.741 4.589 204 HB3 SER 28 HB2 SER 28 6.106 6.942 5.874 205 HG SER 28 HG SER 28 4.698 7.988 4.615 206 H SER 29 HN SER 29 7.041 7.403 1.869 207 HA SER 29 HA SER 29 7.937 6.348 0.063 208 HB2 SER 29 HB1 SER 29 10.551 5.778 1.335 209 HB3 SER 29 HB2 SER 29 10.181 6.582 -0.210 210 HG SER 29 HG SER 29 10.227 8.455 0.768 211 H THR 30 HN THR 30 6.599 4.818 2.119 212 HA THR 30 HA THR 30 7.993 2.347 2.496 213 HB THR 30 HB THR 30 6.271 3.097 4.086 214 HG1 THR 30 HG1 THR 30 5.914 1.048 4.472 215 HG21 THR 30 3HG2 THR 30 4.723 4.147 2.503 216 HG22 THR 30 1HG2 THR 30 3.888 2.928 3.495 217 HG23 THR 30 2HG2 THR 30 4.339 2.551 1.815 218 H ASN 31 HN ASN 31 5.825 3.641 0.099 219 HA ASN 31 HA ASN 31 5.785 1.025 -1.256 220 HB2 ASN 31 HB1 ASN 31 3.808 2.032 -2.527 221 HB3 ASN 31 HB2 ASN 31 3.540 1.618 -0.817 222 HD21 ASN 31 1HD2 ASN 31 3.501 4.073 -3.172 223 HD22 ASN 31 2HD2 ASN 31 3.110 5.396 -2.133 224 H VAL 32 HN VAL 32 6.575 4.401 -1.523 225 HA VAL 32 HA VAL 32 7.153 4.209 -4.366 226 HB VAL 32 HB VAL 32 7.651 6.532 -2.500 227 HG11 VAL 32 1HG1 VAL 32 7.694 7.864 -4.565 228 HG12 VAL 32 2HG1 VAL 32 7.498 6.374 -5.518 229 HG13 VAL 32 3HG1 VAL 32 8.970 6.623 -4.549 230 HG21 VAL 32 3HG2 VAL 32 5.274 5.969 -4.289 231 HG22 VAL 32 1HG2 VAL 32 5.559 7.476 -3.385 232 HG23 VAL 32 2HG2 VAL 32 5.281 5.952 -2.509 233 H GLY 33 HN GLY 33 8.944 4.882 -1.358 234 HA2 GLY 33 HA1 GLY 33 11.492 4.820 -2.673 235 HA3 GLY 33 HA2 GLY 33 11.215 4.878 -0.939 236 H SER 34 HN SER 34 9.797 2.594 -0.477 237 HA SER 34 HA SER 34 11.747 0.650 -0.242 238 HB2 SER 34 HB1 SER 34 9.323 0.878 0.802 239 HB3 SER 34 HB2 SER 34 8.889 -0.209 -0.540 240 HG SER 34 HG SER 34 10.461 -1.673 0.237 241 H ASN 35 HN ASN 35 9.610 1.329 -2.912 242 HA ASN 35 HA ASN 35 9.683 -1.035 -4.336 243 HB2 ASN 35 HB1 ASN 35 8.360 0.994 -4.939 244 HB3 ASN 35 HB2 ASN 35 9.864 1.745 -5.526 245 HD21 ASN 35 1HD2 ASN 35 8.735 1.893 -7.563 246 HD22 ASN 35 2HD2 ASN 35 8.693 0.529 -8.623 247 H THR 36 HN THR 36 12.267 1.036 -3.566 248 HA THR 36 HA THR 36 14.013 -0.440 -5.419 249 HB THR 36 HB THR 36 15.195 2.093 -4.863 250 HG1 THR 36 HG1 THR 36 12.535 2.224 -5.885 251 HG21 THR 36 3HG2 THR 36 15.675 0.686 -6.810 252 HG22 THR 36 1HG2 THR 36 15.154 2.312 -7.313 253 HG23 THR 36 2HG2 THR 36 14.019 0.944 -7.409 254 H TYR 37 HN TYR 37 13.819 1.462 -2.433 255 HA TYR 37 HA TYR 37 16.202 0.040 -1.448 256 HB2 TYR 37 HB1 TYR 37 15.082 2.768 -0.906 257 HB3 TYR 37 HB2 TYR 37 16.067 1.960 0.337 258 HD1 TYR 37 HD2 TYR 37 16.143 2.925 -3.278 259 HD2 TYR 37 HD1 TYR 37 18.388 2.152 0.254 260 HE1 TYR 37 HE2 TYR 37 18.189 3.671 -4.421 261 HE2 TYR 37 HE1 TYR 37 20.439 2.897 -0.880 262 HH TYR 37 HH TYR 37 20.966 3.011 -3.842 263 HN1 NH2 38 HN1 NH2 37 14.715 1.708 1.347 264 HN2 NH2 38 HN2 NH2 37 13.735 0.267 1.979 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 0.897 -12.012 9.054 2 H2 LYS 1 HT2 LYS 1 -0.339 -13.202 8.729 3 H3 LYS 1 HT3 LYS 1 -0.734 -11.500 8.697 4 HA LYS 1 HA LYS 1 0.693 -11.178 6.831 5 HB2 LYS 1 HB1 LYS 1 1.324 -14.058 7.361 6 HB3 LYS 1 HB2 LYS 1 1.381 -13.456 5.687 7 HG2 LYS 1 HG1 LYS 1 2.903 -11.600 6.623 8 HG3 LYS 1 HG2 LYS 1 3.065 -12.651 8.051 9 HD2 LYS 1 HD1 LYS 1 3.432 -14.302 5.779 10 HD3 LYS 1 HD2 LYS 1 4.388 -12.826 5.500 11 HE2 LYS 1 HE1 LYS 1 5.918 -14.059 6.678 12 HE3 LYS 1 HE2 LYS 1 5.097 -13.234 8.025 13 HZ1 LYS 1 HZ1 LYS 1 4.333 -15.161 8.798 14 HZ2 LYS 1 HZ2 LYS 1 5.423 -15.926 7.756 15 HZ3 LYS 1 HZ3 LYS 1 3.817 -15.693 7.279 16 H CYS 2 HN CYS 2 -0.315 -11.118 4.854 17 HA CYS 2 HA CYS 2 -2.979 -12.280 4.769 18 HB2 CYS 2 HB1 CYS 2 -1.713 -9.922 3.732 19 HB3 CYS 2 HB2 CYS 2 -2.436 -10.842 2.389 20 H ASN 3 HN ASN 3 -0.393 -11.929 2.334 21 HA ASN 3 HA ASN 3 0.230 -13.254 0.591 22 HB2 ASN 3 HB1 ASN 3 -0.457 -15.393 2.624 23 HB3 ASN 3 HB2 ASN 3 0.414 -15.695 1.101 24 HD21 ASN 3 1HD2 ASN 3 2.474 -16.007 1.523 25 HD22 ASN 3 2HD2 ASN 3 3.449 -15.094 2.619 26 H THR 4 HN THR 4 -2.517 -12.390 0.640 27 HA THR 4 HA THR 4 -3.622 -14.403 -1.169 28 HB THR 4 HB THR 4 -5.931 -13.818 -0.066 29 HG1 THR 4 HG1 THR 4 -5.794 -13.319 2.091 30 HG21 THR 4 3HG2 THR 4 -4.978 -16.073 -0.194 31 HG22 THR 4 1HG2 THR 4 -5.732 -15.790 1.393 32 HG23 THR 4 2HG2 THR 4 -3.961 -15.727 1.225 33 H ALA 5 HN ALA 5 -4.842 -13.575 -2.825 34 HA ALA 5 HA ALA 5 -4.429 -10.909 -3.585 35 HB1 ALA 5 HB1 ALA 5 -6.045 -11.356 -5.388 36 HB2 ALA 5 HB2 ALA 5 -6.506 -12.872 -4.579 37 HB3 ALA 5 HB3 ALA 5 -4.855 -12.668 -5.211 38 H THR 6 HN THR 6 -7.051 -12.448 -1.841 39 HA THR 6 HA THR 6 -9.058 -10.567 -2.058 40 HB THR 6 HB THR 6 -9.802 -11.301 0.208 41 HG1 THR 6 HG1 THR 6 -8.451 -13.149 1.018 42 HG21 THR 6 3HG2 THR 6 -10.440 -12.576 -1.784 43 HG22 THR 6 1HG2 THR 6 -10.178 -13.656 -0.394 44 HG23 THR 6 2HG2 THR 6 -8.938 -13.523 -1.663 45 H CYS 7 HN CYS 7 -6.153 -10.484 -0.089 46 HA CYS 7 HA CYS 7 -6.733 -8.470 1.697 47 HB2 CYS 7 HB1 CYS 7 -4.515 -9.895 1.092 48 HB3 CYS 7 HB2 CYS 7 -4.063 -8.307 0.427 49 H ALA 8 HN ALA 8 -6.066 -8.242 -1.722 50 HA ALA 8 HA ALA 8 -5.360 -5.641 -2.107 51 HB1 ALA 8 HB1 ALA 8 -6.539 -5.732 -4.266 52 HB2 ALA 8 HB2 ALA 8 -7.382 -7.204 -3.727 53 HB3 ALA 8 HB3 ALA 8 -5.616 -7.219 -3.943 54 H THR 9 HN THR 9 -8.595 -6.867 -1.388 55 HA THR 9 HA THR 9 -10.038 -4.504 -1.760 56 HB THR 9 HB THR 9 -10.888 -6.229 0.492 57 HG1 THR 9 HG1 THR 9 -10.774 -8.038 -0.590 58 HG21 THR 9 3HG2 THR 9 -12.357 -4.505 -0.442 59 HG22 THR 9 1HG2 THR 9 -13.036 -6.129 -0.702 60 HG23 THR 9 2HG2 THR 9 -12.242 -5.271 -2.044 61 H GLN 10 HN GLN 10 -8.444 -5.772 1.150 62 HA GLN 10 HA GLN 10 -9.231 -3.685 2.873 63 HB2 GLN 10 HB1 GLN 10 -8.319 -5.926 3.560 64 HB3 GLN 10 HB2 GLN 10 -6.707 -5.340 3.081 65 HG2 GLN 10 HG1 GLN 10 -6.680 -3.711 4.787 66 HG3 GLN 10 HG2 GLN 10 -8.420 -3.906 5.108 67 HE21 GLN 10 1HE2 GLN 10 -5.241 -5.261 5.553 68 HE22 GLN 10 2HE2 GLN 10 -5.675 -6.392 6.784 69 H ARG 11 HN ARG 11 -6.178 -4.214 1.115 70 HA ARG 11 HA ARG 11 -4.857 -1.907 1.913 71 HB2 ARG 11 HB1 ARG 11 -4.659 -3.789 -0.366 72 HB3 ARG 11 HB2 ARG 11 -3.913 -2.190 -0.606 73 HG2 ARG 11 HG1 ARG 11 -2.185 -2.687 0.720 74 HG3 ARG 11 HG2 ARG 11 -3.241 -3.367 1.981 75 HD2 ARG 11 HD1 ARG 11 -1.822 -5.129 1.217 76 HD3 ARG 11 HD2 ARG 11 -3.450 -5.436 0.563 77 HE ARG 11 HE ARG 11 -2.619 -5.124 -1.556 78 HH11 ARG 11 1HH1 ARG 11 -0.282 -4.009 0.770 79 HH12 ARG 11 2HH1 ARG 11 0.977 -3.796 -0.402 80 HH21 ARG 11 1HH2 ARG 11 -0.970 -4.848 -3.109 81 HH22 ARG 11 2HH2 ARG 11 0.584 -4.273 -2.607 82 H LEU 12 HN LEU 12 -6.532 -2.352 -1.209 83 HA LEU 12 HA LEU 12 -6.442 0.223 -2.131 84 HB2 LEU 12 HB1 LEU 12 -7.692 -2.107 -2.896 85 HB3 LEU 12 HB2 LEU 12 -9.058 -1.014 -2.568 86 HG LEU 12 HG LEU 12 -8.183 0.583 -4.190 87 HD11 LEU 12 1HD1 LEU 12 -6.277 0.015 -5.619 88 HD12 LEU 12 2HD1 LEU 12 -5.995 -1.453 -4.653 89 HD13 LEU 12 3HD1 LEU 12 -5.799 0.152 -3.910 90 HD21 LEU 12 3HD2 LEU 12 -8.355 -2.233 -5.283 91 HD22 LEU 12 1HD2 LEU 12 -8.545 -0.735 -6.224 92 HD23 LEU 12 2HD2 LEU 12 -9.726 -1.146 -4.958 93 H ALA 13 HN ALA 13 -9.147 -1.166 -0.260 94 HA ALA 13 HA ALA 13 -10.689 1.086 0.043 95 HB1 ALA 13 HB1 ALA 13 -11.571 0.062 2.101 96 HB2 ALA 13 HB2 ALA 13 -10.219 -1.095 2.087 97 HB3 ALA 13 HB3 ALA 13 -11.422 -1.117 0.776 98 H ASN 14 HN ASN 14 -7.801 0.168 1.835 99 HA ASN 14 HA ASN 14 -8.000 2.189 3.816 100 HB2 ASN 14 HB1 ASN 14 -6.419 -0.017 3.460 101 HB3 ASN 14 HB2 ASN 14 -5.281 1.303 3.096 102 HD21 ASN 14 1HD2 ASN 14 -7.275 -0.192 5.527 103 HD22 ASN 14 2HD2 ASN 14 -6.602 0.641 6.882 104 H PHE 15 HN PHE 15 -6.467 2.023 0.650 105 HA PHE 15 HA PHE 15 -5.153 4.558 0.891 106 HB2 PHE 15 HB1 PHE 15 -4.067 3.189 -0.619 107 HB3 PHE 15 HB2 PHE 15 -5.590 2.570 -1.303 108 HD1 PHE 15 HD2 PHE 15 -3.566 5.699 -1.070 109 HD2 PHE 15 HD1 PHE 15 -6.329 3.389 -3.336 110 HE1 PHE 15 HE2 PHE 15 -3.378 7.303 -2.925 111 HE2 PHE 15 HE1 PHE 15 -6.145 4.989 -5.197 112 HZ PHE 15 HZ PHE 15 -4.670 6.950 -4.993 113 H LEU 16 HN LEU 16 -8.304 3.503 -0.009 114 HA LEU 16 HA LEU 16 -8.984 5.862 -1.514 115 HB2 LEU 16 HB1 LEU 16 -10.333 3.364 -0.676 116 HB3 LEU 16 HB2 LEU 16 -11.381 4.784 -0.910 117 HG LEU 16 HG LEU 16 -10.296 4.971 -3.223 118 HD11 LEU 16 1HD1 LEU 16 -9.414 2.885 -4.154 119 HD12 LEU 16 2HD1 LEU 16 -9.515 2.130 -2.545 120 HD13 LEU 16 3HD1 LEU 16 -8.402 3.490 -2.821 121 HD21 LEU 16 3HD2 LEU 16 -12.039 2.586 -2.566 122 HD22 LEU 16 1HD2 LEU 16 -11.842 3.324 -4.174 123 HD23 LEU 16 2HD2 LEU 16 -12.600 4.250 -2.857 124 H VAL 17 HN VAL 17 -9.577 4.633 1.749 125 HA VAL 17 HA VAL 17 -11.173 6.902 2.513 126 HB VAL 17 HB VAL 17 -11.625 4.803 3.598 127 HG11 VAL 17 1HG1 VAL 17 -9.989 3.706 5.069 128 HG12 VAL 17 2HG1 VAL 17 -8.768 4.910 4.592 129 HG13 VAL 17 3HG1 VAL 17 -9.420 3.778 3.384 130 HG21 VAL 17 3HG2 VAL 17 -10.315 6.742 5.518 131 HG22 VAL 17 1HG2 VAL 17 -11.474 5.466 5.962 132 HG23 VAL 17 2HG2 VAL 17 -11.991 6.817 4.925 133 H HIS 18 HN HIS 18 -7.813 5.981 2.694 134 HA HIS 18 HA HIS 18 -7.213 8.362 4.305 135 HB2 HIS 18 HB1 HIS 18 -5.509 5.954 3.622 136 HB3 HIS 18 HB2 HIS 18 -4.960 7.348 4.583 137 HD1 HIS 18 HD1 HIS 18 -6.022 7.615 6.971 138 HD2 HIS 18 HD2 HIS 18 -7.049 4.103 5.003 139 HE1 HIS 18 HE1 HIS 18 -7.009 6.119 8.736 140 H SER 19 HN SER 19 -7.818 9.471 2.167 141 HA SER 19 HA SER 19 -6.286 9.372 -0.126 142 HB2 SER 19 HB1 SER 19 -7.064 11.602 -0.621 143 HB3 SER 19 HB2 SER 19 -8.375 10.722 0.201 144 HG SER 19 HG SER 19 -8.186 12.004 1.892 145 H SER 20 HN SER 20 -5.514 10.757 2.972 146 HA SER 20 HA SER 20 -3.461 12.501 2.295 147 HB2 SER 20 HB1 SER 20 -3.010 12.607 4.533 148 HB3 SER 20 HB2 SER 20 -4.586 11.782 4.624 149 HG SER 20 HG SER 20 -2.048 10.829 5.177 150 H ASN 21 HN ASN 21 -3.464 9.007 2.564 151 HA ASN 21 HA ASN 21 -0.772 8.437 2.687 152 HB2 ASN 21 HB1 ASN 21 -3.107 7.052 1.410 153 HB3 ASN 21 HB2 ASN 21 -1.465 6.414 1.157 154 HD21 ASN 21 1HD2 ASN 21 -0.257 6.754 3.516 155 HD22 ASN 21 2HD2 ASN 21 -1.058 5.867 4.764 156 H ASN 22 HN ASN 22 -2.639 9.624 -0.011 157 HA ASN 22 HA ASN 22 -0.917 9.016 -2.120 158 HB2 ASN 22 HB1 ASN 22 -3.043 9.820 -2.718 159 HB3 ASN 22 HB2 ASN 22 -2.894 11.244 -1.660 160 HD21 ASN 22 1HD2 ASN 22 -1.578 12.972 -2.328 161 HD22 ASN 22 2HD2 ASN 22 -1.155 13.198 -3.989 162 H PHE 23 HN PHE 23 -0.926 11.753 0.118 163 HA PHE 23 HA PHE 23 1.403 12.927 -1.157 164 HB2 PHE 23 HB1 PHE 23 -0.345 14.409 -0.325 165 HB3 PHE 23 HB2 PHE 23 -0.148 13.741 1.313 166 HD1 PHE 23 HD1 PHE 23 2.389 14.824 -1.204 167 HD2 PHE 23 HD2 PHE 23 0.660 15.462 2.634 168 HE1 PHE 23 HE1 PHE 23 4.100 16.524 -0.719 169 HE2 PHE 23 HE2 PHE 23 2.368 17.164 3.124 170 HZ PHE 23 HZ PHE 23 4.090 17.698 1.446 171 H GLY 24 HN GLY 24 0.575 11.540 2.016 172 HA2 GLY 24 HA1 GLY 24 3.094 11.754 3.198 173 HA3 GLY 24 HA2 GLY 24 1.884 10.550 3.620 174 H ALA 25 HN ALA 25 1.960 9.549 0.777 175 HA ALA 25 HA ALA 25 3.659 7.386 1.132 176 HB1 ALA 25 HB1 ALA 25 3.373 6.954 -1.274 177 HB2 ALA 25 HB2 ALA 25 2.678 8.581 -1.469 178 HB3 ALA 25 HB3 ALA 25 1.835 7.365 -0.479 179 H ILE 26 HN ILE 26 4.339 10.578 -0.066 180 HA ILE 26 HA ILE 26 6.890 9.867 -1.210 181 HB ILE 26 HB ILE 26 5.719 12.586 -0.612 182 HG12 ILE 26 1HG1 ILE 26 5.797 12.335 -3.328 183 HG13 ILE 26 2HG1 ILE 26 5.439 10.663 -2.834 184 HG21 ILE 26 1HG2 ILE 26 7.442 13.444 -2.141 185 HG22 ILE 26 2HG2 ILE 26 8.127 11.807 -2.267 186 HG23 ILE 26 3HG2 ILE 26 8.151 12.664 -0.707 187 HD11 ILE 26 3HD1 ILE 26 3.491 11.453 -1.571 188 HD12 ILE 26 1HD1 ILE 26 3.390 11.915 -3.287 189 HD13 ILE 26 2HD1 ILE 26 3.849 13.125 -2.065 190 H LEU 27 HN LEU 27 5.682 10.915 1.862 191 HA LEU 27 HA LEU 27 8.239 11.784 2.867 192 HB2 LEU 27 HB1 LEU 27 5.479 11.491 3.961 193 HB3 LEU 27 HB2 LEU 27 6.842 11.550 5.105 194 HG LEU 27 HG LEU 27 6.728 13.695 3.059 195 HD11 LEU 27 1HD1 LEU 27 5.094 14.989 4.346 196 HD12 LEU 27 2HD1 LEU 27 4.805 13.577 5.391 197 HD13 LEU 27 3HD1 LEU 27 4.372 13.512 3.666 198 HD21 LEU 27 3HD2 LEU 27 7.286 13.634 6.032 199 HD22 LEU 27 1HD2 LEU 27 7.480 15.043 4.964 200 HD23 LEU 27 2HD2 LEU 27 8.504 13.605 4.734 201 H SER 28 HN SER 28 6.179 8.927 3.177 202 HA SER 28 HA SER 28 8.090 7.617 4.925 203 HB2 SER 28 HB1 SER 28 5.319 7.083 3.983 204 HB3 SER 28 HB2 SER 28 6.320 5.658 4.353 205 HG SER 28 HG SER 28 6.080 7.845 6.145 206 H SER 29 HN SER 29 6.924 7.362 1.605 207 HA SER 29 HA SER 29 7.680 6.209 -0.210 208 HB2 SER 29 HB1 SER 29 9.949 6.417 -0.672 209 HB3 SER 29 HB2 SER 29 9.708 7.682 0.557 210 HG SER 29 HG SER 29 11.175 6.663 1.664 211 H THR 30 HN THR 30 6.712 4.672 2.058 212 HA THR 30 HA THR 30 8.348 2.381 2.456 213 HB THR 30 HB THR 30 6.630 2.961 4.080 214 HG1 THR 30 HG1 THR 30 7.149 0.758 3.945 215 HG21 THR 30 3HG2 THR 30 4.966 3.914 2.556 216 HG22 THR 30 1HG2 THR 30 4.242 2.650 3.578 217 HG23 THR 30 2HG2 THR 30 4.651 2.297 1.883 218 H ASN 31 HN ASN 31 5.981 3.289 0.066 219 HA ASN 31 HA ASN 31 6.118 0.596 -1.112 220 HB2 ASN 31 HB1 ASN 31 3.855 1.558 -0.559 221 HB3 ASN 31 HB2 ASN 31 4.162 2.807 -1.790 222 HD21 ASN 31 1HD2 ASN 31 3.785 2.345 -3.871 223 HD22 ASN 31 2HD2 ASN 31 3.293 0.801 -4.471 224 H VAL 32 HN VAL 32 6.817 3.962 -1.644 225 HA VAL 32 HA VAL 32 7.524 3.500 -4.439 226 HB VAL 32 HB VAL 32 7.753 6.069 -2.870 227 HG11 VAL 32 1HG1 VAL 32 7.734 7.122 -5.092 228 HG12 VAL 32 2HG1 VAL 32 7.682 5.510 -5.844 229 HG13 VAL 32 3HG1 VAL 32 9.106 6.005 -4.898 230 HG21 VAL 32 3HG2 VAL 32 5.471 5.083 -4.598 231 HG22 VAL 32 1HG2 VAL 32 5.611 6.712 -3.896 232 HG23 VAL 32 2HG2 VAL 32 5.439 5.296 -2.831 233 H GLY 33 HN GLY 33 9.097 4.882 -1.543 234 HA2 GLY 33 HA1 GLY 33 11.690 4.942 -2.626 235 HA3 GLY 33 HA2 GLY 33 11.301 4.953 -0.912 236 H SER 34 HN SER 34 10.105 2.496 -0.594 237 HA SER 34 HA SER 34 12.241 0.795 -0.190 238 HB2 SER 34 HB1 SER 34 9.864 0.640 0.758 239 HB3 SER 34 HB2 SER 34 9.445 -0.211 -0.749 240 HG SER 34 HG SER 34 11.086 -1.742 -0.219 241 H ASN 35 HN ASN 35 10.295 1.256 -3.049 242 HA ASN 35 HA ASN 35 10.809 -1.050 -4.478 243 HB2 ASN 35 HB1 ASN 35 9.473 1.204 -5.031 244 HB3 ASN 35 HB2 ASN 35 10.953 1.530 -5.965 245 HD21 ASN 35 1HD2 ASN 35 11.681 -0.539 -7.219 246 HD22 ASN 35 2HD2 ASN 35 10.434 -1.297 -8.146 247 H THR 36 HN THR 36 13.016 1.320 -3.448 248 HA THR 36 HA THR 36 15.105 0.125 -5.144 249 HB THR 36 HB THR 36 15.836 2.802 -4.405 250 HG1 THR 36 HG1 THR 36 13.425 2.572 -5.914 251 HG21 THR 36 3HG2 THR 36 16.831 1.518 -6.238 252 HG22 THR 36 1HG2 THR 36 16.144 3.048 -6.833 253 HG23 THR 36 2HG2 THR 36 15.269 1.520 -7.091 254 H TYR 37 HN TYR 37 14.313 1.781 -2.128 255 HA TYR 37 HA TYR 37 16.845 0.835 -0.975 256 HB2 TYR 37 HB1 TYR 37 14.938 2.826 0.260 257 HB3 TYR 37 HB2 TYR 37 16.636 2.516 0.694 258 HD1 TYR 37 HD2 TYR 37 17.915 2.513 -1.973 259 HD2 TYR 37 HD1 TYR 37 14.916 5.079 -0.383 260 HE1 TYR 37 HE2 TYR 37 18.637 4.297 -3.505 261 HE2 TYR 37 HE1 TYR 37 15.629 6.870 -1.912 262 HH TYR 37 HH TYR 37 18.531 6.779 -3.621 263 HN1 NH2 38 HN1 NH2 37 15.328 -1.558 -1.242 264 HN2 NH2 38 HN2 NH2 37 14.455 -1.926 0.351 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 4.037 -11.411 3.040 2 H2 LYS 1 HT2 LYS 1 3.337 -10.027 2.237 3 H3 LYS 1 HT3 LYS 1 3.367 -11.579 1.436 4 HA LYS 1 HA LYS 1 1.908 -12.480 3.072 5 HB2 LYS 1 HB1 LYS 1 1.970 -9.677 4.215 6 HB3 LYS 1 HB2 LYS 1 0.800 -10.931 4.690 7 HG2 LYS 1 HG1 LYS 1 2.237 -11.591 6.248 8 HG3 LYS 1 HG2 LYS 1 3.329 -12.123 4.946 9 HD2 LYS 1 HD1 LYS 1 3.859 -9.461 4.979 10 HD3 LYS 1 HD2 LYS 1 3.455 -9.733 6.691 11 HE2 LYS 1 HE1 LYS 1 5.304 -10.989 7.069 12 HE3 LYS 1 HE2 LYS 1 5.252 -11.741 5.456 13 HZ1 LYS 1 HZ1 LYS 1 7.049 -9.898 6.217 14 HZ2 LYS 1 HZ2 LYS 1 5.896 -8.914 5.465 15 HZ3 LYS 1 HZ3 LYS 1 6.608 -10.189 4.609 16 H CYS 2 HN CYS 2 1.617 -9.120 1.923 17 HA CYS 2 HA CYS 2 -0.851 -9.919 0.524 18 HB2 CYS 2 HB1 CYS 2 -0.143 -7.197 1.650 19 HB3 CYS 2 HB2 CYS 2 -1.630 -7.600 0.757 20 H ASN 3 HN ASN 3 -0.645 -9.934 -1.606 21 HA ASN 3 HA ASN 3 0.987 -7.879 -2.906 22 HB2 ASN 3 HB1 ASN 3 1.651 -10.684 -2.736 23 HB3 ASN 3 HB2 ASN 3 1.368 -10.220 -4.431 24 HD21 ASN 3 1HD2 ASN 3 2.450 -8.090 -5.034 25 HD22 ASN 3 2HD2 ASN 3 4.078 -7.881 -4.496 26 H THR 4 HN THR 4 -0.694 -10.812 -4.020 27 HA THR 4 HA THR 4 -2.541 -9.092 -5.534 28 HB THR 4 HB THR 4 -0.783 -10.030 -7.034 29 HG1 THR 4 HG1 THR 4 -2.571 -9.670 -8.180 30 HG21 THR 4 3HG2 THR 4 -0.397 -12.152 -5.869 31 HG22 THR 4 1HG2 THR 4 -0.840 -12.430 -7.570 32 HG23 THR 4 2HG2 THR 4 -2.044 -12.682 -6.284 33 H ALA 5 HN ALA 5 -2.799 -10.567 -2.979 34 HA ALA 5 HA ALA 5 -4.779 -12.609 -3.693 35 HB1 ALA 5 HB1 ALA 5 -4.646 -13.306 -1.337 36 HB2 ALA 5 HB2 ALA 5 -3.478 -11.999 -1.032 37 HB3 ALA 5 HB3 ALA 5 -3.056 -13.331 -2.135 38 H THR 6 HN THR 6 -6.414 -12.629 -1.540 39 HA THR 6 HA THR 6 -8.320 -10.701 -2.102 40 HB THR 6 HB THR 6 -9.426 -11.340 -0.008 41 HG1 THR 6 HG1 THR 6 -8.384 -12.538 1.515 42 HG21 THR 6 3HG2 THR 6 -9.640 -12.824 -1.945 43 HG22 THR 6 1HG2 THR 6 -9.626 -13.754 -0.427 44 HG23 THR 6 2HG2 THR 6 -8.169 -13.692 -1.446 45 H CYS 7 HN CYS 7 -5.577 -10.547 0.033 46 HA CYS 7 HA CYS 7 -6.261 -8.519 1.766 47 HB2 CYS 7 HB1 CYS 7 -4.078 -9.892 1.559 48 HB3 CYS 7 HB2 CYS 7 -3.553 -8.596 0.457 49 H ALA 8 HN ALA 8 -5.476 -8.327 -1.629 50 HA ALA 8 HA ALA 8 -4.805 -5.718 -2.027 51 HB1 ALA 8 HB1 ALA 8 -5.904 -5.863 -4.225 52 HB2 ALA 8 HB2 ALA 8 -6.736 -7.344 -3.693 53 HB3 ALA 8 HB3 ALA 8 -4.963 -7.326 -3.846 54 H THR 9 HN THR 9 -8.038 -6.996 -1.403 55 HA THR 9 HA THR 9 -9.512 -4.666 -1.862 56 HB THR 9 HB THR 9 -10.407 -6.375 0.384 57 HG1 THR 9 HG1 THR 9 -10.301 -7.405 -2.270 58 HG21 THR 9 3HG2 THR 9 -11.874 -4.692 -0.625 59 HG22 THR 9 1HG2 THR 9 -12.514 -6.332 -0.884 60 HG23 THR 9 2HG2 THR 9 -11.690 -5.479 -2.211 61 H GLN 10 HN GLN 10 -8.000 -5.861 1.122 62 HA GLN 10 HA GLN 10 -8.887 -3.765 2.783 63 HB2 GLN 10 HB1 GLN 10 -7.272 -6.092 3.030 64 HB3 GLN 10 HB2 GLN 10 -6.338 -4.718 3.671 65 HG2 GLN 10 HG1 GLN 10 -8.067 -4.185 5.239 66 HG3 GLN 10 HG2 GLN 10 -9.171 -5.373 4.505 67 HE21 GLN 10 1HE2 GLN 10 -8.839 -7.563 4.889 68 HE22 GLN 10 2HE2 GLN 10 -7.830 -8.134 6.170 69 H ARG 11 HN ARG 11 -5.764 -4.262 1.141 70 HA ARG 11 HA ARG 11 -4.515 -1.919 1.952 71 HB2 ARG 11 HB1 ARG 11 -4.202 -3.826 -0.296 72 HB3 ARG 11 HB2 ARG 11 -3.473 -2.219 -0.525 73 HG2 ARG 11 HG1 ARG 11 -1.780 -2.691 0.848 74 HG3 ARG 11 HG2 ARG 11 -2.874 -3.330 2.099 75 HD2 ARG 11 HD1 ARG 11 -1.362 -5.080 1.375 76 HD3 ARG 11 HD2 ARG 11 -3.016 -5.462 0.839 77 HE ARG 11 HE ARG 11 -2.291 -5.334 -1.323 78 HH11 ARG 11 1HH1 ARG 11 0.039 -3.755 0.725 79 HH12 ARG 11 2HH1 ARG 11 1.194 -3.520 -0.546 80 HH21 ARG 11 1HH2 ARG 11 -0.779 -5.032 -3.005 81 HH22 ARG 11 2HH2 ARG 11 0.727 -4.247 -2.667 82 H LEU 12 HN LEU 12 -6.069 -2.440 -1.220 83 HA LEU 12 HA LEU 12 -5.995 0.123 -2.175 84 HB2 LEU 12 HB1 LEU 12 -7.171 -2.240 -2.951 85 HB3 LEU 12 HB2 LEU 12 -8.571 -1.172 -2.686 86 HG LEU 12 HG LEU 12 -7.668 0.422 -4.299 87 HD11 LEU 12 1HD1 LEU 12 -5.702 -0.127 -5.651 88 HD12 LEU 12 2HD1 LEU 12 -5.429 -1.578 -4.658 89 HD13 LEU 12 3HD1 LEU 12 -5.286 0.039 -3.929 90 HD21 LEU 12 3HD2 LEU 12 -7.749 -2.412 -5.357 91 HD22 LEU 12 1HD2 LEU 12 -7.937 -0.931 -6.325 92 HD23 LEU 12 2HD2 LEU 12 -9.152 -1.349 -5.095 93 H ALA 13 HN ALA 13 -8.738 -1.289 -0.382 94 HA ALA 13 HA ALA 13 -10.331 0.938 -0.166 95 HB1 ALA 13 HB1 ALA 13 -11.267 -0.074 1.872 96 HB2 ALA 13 HB2 ALA 13 -9.894 -1.206 1.924 97 HB3 ALA 13 HB3 ALA 13 -11.048 -1.268 0.571 98 H ASN 14 HN ASN 14 -7.491 0.098 1.739 99 HA ASN 14 HA ASN 14 -7.797 2.141 3.684 100 HB2 ASN 14 HB1 ASN 14 -6.170 -0.040 3.421 101 HB3 ASN 14 HB2 ASN 14 -5.040 1.289 3.065 102 HD21 ASN 14 1HD2 ASN 14 -7.477 0.240 5.418 103 HD22 ASN 14 2HD2 ASN 14 -6.708 0.943 6.795 104 H PHE 15 HN PHE 15 -6.148 1.962 0.576 105 HA PHE 15 HA PHE 15 -4.892 4.522 0.828 106 HB2 PHE 15 HB1 PHE 15 -3.728 3.154 -0.626 107 HB3 PHE 15 HB2 PHE 15 -5.214 2.498 -1.353 108 HD1 PHE 15 HD2 PHE 15 -3.261 5.672 -1.092 109 HD2 PHE 15 HD1 PHE 15 -5.894 3.272 -3.422 110 HE1 PHE 15 HE2 PHE 15 -3.041 7.252 -2.964 111 HE2 PHE 15 HE1 PHE 15 -5.677 4.849 -5.299 112 HZ PHE 15 HZ PHE 15 -4.249 6.844 -5.069 113 H LEU 16 HN LEU 16 -7.988 3.398 -0.168 114 HA LEU 16 HA LEU 16 -8.659 5.724 -1.728 115 HB2 LEU 16 HB1 LEU 16 -10.020 3.229 -0.866 116 HB3 LEU 16 HB2 LEU 16 -11.054 4.631 -1.236 117 HG LEU 16 HG LEU 16 -9.917 4.723 -3.490 118 HD11 LEU 16 1HD1 LEU 16 -8.804 2.687 -4.272 119 HD12 LEU 16 2HD1 LEU 16 -8.912 2.002 -2.633 120 HD13 LEU 16 3HD1 LEU 16 -7.915 3.446 -2.931 121 HD21 LEU 16 3HD2 LEU 16 -11.461 2.217 -2.787 122 HD22 LEU 16 1HD2 LEU 16 -11.257 2.894 -4.420 123 HD23 LEU 16 2HD2 LEU 16 -12.160 3.805 -3.187 124 H VAL 17 HN VAL 17 -9.348 4.527 1.528 125 HA VAL 17 HA VAL 17 -11.009 6.775 2.202 126 HB VAL 17 HB VAL 17 -11.460 4.683 3.301 127 HG11 VAL 17 1HG1 VAL 17 -9.857 3.637 4.845 128 HG12 VAL 17 2HG1 VAL 17 -8.642 4.856 4.392 129 HG13 VAL 17 3HG1 VAL 17 -9.233 3.696 3.179 130 HG21 VAL 17 3HG2 VAL 17 -10.257 6.673 5.240 131 HG22 VAL 17 1HG2 VAL 17 -11.407 5.381 5.660 132 HG23 VAL 17 2HG2 VAL 17 -11.912 6.708 4.586 133 H HIS 18 HN HIS 18 -7.641 5.921 2.513 134 HA HIS 18 HA HIS 18 -7.142 8.334 4.110 135 HB2 HIS 18 HB1 HIS 18 -5.373 5.949 3.523 136 HB3 HIS 18 HB2 HIS 18 -4.881 7.366 4.481 137 HD1 HIS 18 HD1 HIS 18 -6.034 7.648 6.827 138 HD2 HIS 18 HD2 HIS 18 -6.924 4.090 4.876 139 HE1 HIS 18 HE1 HIS 18 -7.056 6.158 8.578 140 H SER 19 HN SER 19 -7.690 9.402 1.936 141 HA SER 19 HA SER 19 -6.076 9.300 -0.300 142 HB2 SER 19 HB1 SER 19 -8.222 10.788 0.408 143 HB3 SER 19 HB2 SER 19 -6.940 12.016 0.541 144 HG SER 19 HG SER 19 -8.117 11.138 -1.660 145 H SER 20 HN SER 20 -5.442 10.742 2.804 146 HA SER 20 HA SER 20 -3.399 12.516 2.174 147 HB2 SER 20 HB1 SER 20 -2.886 11.018 4.638 148 HB3 SER 20 HB2 SER 20 -3.221 12.751 4.406 149 HG SER 20 HG SER 20 -4.832 11.302 5.576 150 H ASN 21 HN ASN 21 -3.347 9.026 2.492 151 HA ASN 21 HA ASN 21 -0.651 8.510 2.719 152 HB2 ASN 21 HB1 ASN 21 -2.914 7.064 1.381 153 HB3 ASN 21 HB2 ASN 21 -1.252 6.454 1.194 154 HD21 ASN 21 1HD2 ASN 21 -0.135 6.848 3.590 155 HD22 ASN 21 2HD2 ASN 21 -0.963 5.963 4.821 156 H ASN 22 HN ASN 22 -2.440 9.624 -0.061 157 HA ASN 22 HA ASN 22 -0.632 9.021 -2.098 158 HB2 ASN 22 HB1 ASN 22 -2.750 9.777 -2.784 159 HB3 ASN 22 HB2 ASN 22 -2.667 11.217 -1.740 160 HD21 ASN 22 1HD2 ASN 22 -1.363 12.962 -2.381 161 HD22 ASN 22 2HD2 ASN 22 -0.882 13.177 -4.026 162 H PHE 23 HN PHE 23 -0.772 11.788 0.099 163 HA PHE 23 HA PHE 23 1.579 12.988 -1.107 164 HB2 PHE 23 HB1 PHE 23 -0.615 13.989 0.268 165 HB3 PHE 23 HB2 PHE 23 0.719 14.128 1.438 166 HD1 PHE 23 HD1 PHE 23 3.005 14.733 -0.257 167 HD2 PHE 23 HD2 PHE 23 -1.007 16.130 -0.522 168 HE1 PHE 23 HE1 PHE 23 3.792 16.768 -1.394 169 HE2 PHE 23 HE2 PHE 23 -0.226 18.167 -1.660 170 HZ PHE 23 HZ PHE 23 2.175 18.488 -2.098 171 H GLY 24 HN GLY 24 0.660 11.628 2.053 172 HA2 GLY 24 HA1 GLY 24 3.129 11.907 3.323 173 HA3 GLY 24 HA2 GLY 24 1.927 10.686 3.718 174 H ALA 25 HN ALA 25 2.127 9.648 0.893 175 HA ALA 25 HA ALA 25 3.852 7.522 1.342 176 HB1 ALA 25 HB1 ALA 25 3.662 7.053 -1.067 177 HB2 ALA 25 HB2 ALA 25 2.943 8.662 -1.309 178 HB3 ALA 25 HB3 ALA 25 2.089 7.444 -0.333 179 H ILE 26 HN ILE 26 4.515 10.710 0.124 180 HA ILE 26 HA ILE 26 7.119 10.032 -0.915 181 HB ILE 26 HB ILE 26 5.876 12.736 -0.401 182 HG12 ILE 26 1HG1 ILE 26 6.057 12.452 -3.108 183 HG13 ILE 26 2HG1 ILE 26 5.717 10.779 -2.606 184 HG21 ILE 26 1HG2 ILE 26 7.638 13.607 -1.881 185 HG22 ILE 26 2HG2 ILE 26 8.358 11.981 -1.958 186 HG23 ILE 26 3HG2 ILE 26 8.309 12.860 -0.411 187 HD11 ILE 26 3HD1 ILE 26 3.708 11.542 -1.424 188 HD12 ILE 26 1HD1 ILE 26 3.658 11.981 -3.148 189 HD13 ILE 26 2HD1 ILE 26 4.048 13.215 -1.927 190 H LEU 27 HN LEU 27 5.780 11.095 2.094 191 HA LEU 27 HA LEU 27 8.283 12.028 3.178 192 HB2 LEU 27 HB1 LEU 27 5.508 12.109 3.906 193 HB3 LEU 27 HB2 LEU 27 6.464 11.474 5.267 194 HG LEU 27 HG LEU 27 7.286 14.015 3.898 195 HD11 LEU 27 1HD1 LEU 27 5.942 15.284 5.504 196 HD12 LEU 27 2HD1 LEU 27 5.214 13.768 6.086 197 HD13 LEU 27 3HD1 LEU 27 4.920 14.313 4.417 198 HD21 LEU 27 3HD2 LEU 27 7.562 12.963 6.721 199 HD22 LEU 27 1HD2 LEU 27 8.202 14.509 6.117 200 HD23 LEU 27 2HD2 LEU 27 8.832 12.974 5.475 201 H SER 28 HN SER 28 6.270 9.137 3.440 202 HA SER 28 HA SER 28 8.126 7.886 5.288 203 HB2 SER 28 HB1 SER 28 5.373 7.526 4.566 204 HB3 SER 28 HB2 SER 28 6.239 5.993 4.304 205 HG SER 28 HG SER 28 6.596 5.824 6.403 206 H SER 29 HN SER 29 7.127 7.581 1.919 207 HA SER 29 HA SER 29 8.087 6.559 0.128 208 HB2 SER 29 HB1 SER 29 10.615 6.083 1.679 209 HB3 SER 29 HB2 SER 29 10.408 6.539 -0.030 210 HG SER 29 HG SER 29 10.854 8.136 2.041 211 H THR 30 HN THR 30 6.608 4.998 1.993 212 HA THR 30 HA THR 30 8.015 2.475 2.271 213 HB THR 30 HB THR 30 6.490 3.232 4.060 214 HG1 THR 30 HG1 THR 30 6.714 1.052 4.043 215 HG21 THR 30 3HG2 THR 30 4.812 4.363 2.677 216 HG22 THR 30 1HG2 THR 30 4.057 3.132 3.717 217 HG23 THR 30 2HG2 THR 30 4.321 2.797 1.989 218 H ASN 31 HN ASN 31 5.686 3.967 0.163 219 HA ASN 31 HA ASN 31 5.219 1.408 -1.201 220 HB2 ASN 31 HB1 ASN 31 3.697 3.980 -1.019 221 HB3 ASN 31 HB2 ASN 31 3.505 2.973 -2.473 222 HD21 ASN 31 1HD2 ASN 31 2.596 3.452 0.756 223 HD22 ASN 31 2HD2 ASN 31 1.664 2.012 0.965 224 H VAL 32 HN VAL 32 6.609 4.578 -1.578 225 HA VAL 32 HA VAL 32 7.146 4.099 -4.415 226 HB VAL 32 HB VAL 32 7.752 6.565 -2.780 227 HG11 VAL 32 1HG1 VAL 32 7.972 7.666 -4.966 228 HG12 VAL 32 2HG1 VAL 32 7.703 6.102 -5.770 229 HG13 VAL 32 3HG1 VAL 32 9.151 6.349 -4.765 230 HG21 VAL 32 3HG2 VAL 32 5.411 5.981 -4.608 231 HG22 VAL 32 1HG2 VAL 32 5.770 7.551 -3.851 232 HG23 VAL 32 2HG2 VAL 32 5.347 6.151 -2.837 233 H GLY 33 HN GLY 33 8.917 5.030 -1.461 234 HA2 GLY 33 HA1 GLY 33 11.489 4.725 -2.614 235 HA3 GLY 33 HA2 GLY 33 11.133 4.803 -0.895 236 H SER 34 HN SER 34 9.669 2.618 -0.390 237 HA SER 34 HA SER 34 11.516 0.574 -0.166 238 HB2 SER 34 HB1 SER 34 9.243 0.899 1.030 239 HB3 SER 34 HB2 SER 34 8.558 0.010 -0.352 240 HG SER 34 HG SER 34 9.078 -1.461 1.260 241 H ASN 35 HN ASN 35 9.336 1.315 -2.787 242 HA ASN 35 HA ASN 35 9.251 -1.074 -4.167 243 HB2 ASN 35 HB1 ASN 35 8.276 1.373 -4.653 244 HB3 ASN 35 HB2 ASN 35 9.658 1.403 -5.774 245 HD21 ASN 35 1HD2 ASN 35 9.610 0.161 -7.590 246 HD22 ASN 35 2HD2 ASN 35 8.231 -0.747 -8.099 247 H THR 36 HN THR 36 11.955 0.881 -3.514 248 HA THR 36 HA THR 36 13.568 -0.696 -5.406 249 HB THR 36 HB THR 36 15.091 1.510 -5.206 250 HG1 THR 36 HG1 THR 36 13.529 3.298 -5.485 251 HG21 THR 36 3HG2 THR 36 14.410 0.420 -7.293 252 HG22 THR 36 1HG2 THR 36 14.214 2.185 -7.403 253 HG23 THR 36 2HG2 THR 36 12.792 1.147 -7.146 254 H TYR 37 HN TYR 37 13.517 1.159 -2.392 255 HA TYR 37 HA TYR 37 15.832 -0.418 -1.470 256 HB2 TYR 37 HB1 TYR 37 14.953 2.395 -0.832 257 HB3 TYR 37 HB2 TYR 37 16.066 1.498 0.229 258 HD1 TYR 37 HD1 TYR 37 15.647 2.804 -3.230 259 HD2 TYR 37 HD2 TYR 37 18.362 1.333 -0.303 260 HE1 TYR 37 HE1 TYR 37 17.538 3.477 -4.654 261 HE2 TYR 37 HE2 TYR 37 20.259 2.003 -1.717 262 HH TYR 37 HH TYR 37 20.034 4.101 -4.224 263 HN1 NH2 38 HN1 NH2 37 12.528 -0.983 -1.392 264 HN2 NH2 38 HN2 NH2 37 12.284 -1.318 0.414 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 1.550 -4.591 6.001 2 H2 LYS 1 HT2 LYS 1 1.182 -6.263 6.346 3 H3 LYS 1 HT3 LYS 1 -0.009 -5.249 5.568 4 HA LYS 1 HA LYS 1 1.385 -5.027 3.665 5 HB2 LYS 1 HB1 LYS 1 3.279 -6.560 5.405 6 HB3 LYS 1 HB2 LYS 1 3.342 -6.799 3.642 7 HG2 LYS 1 HG1 LYS 1 3.255 -3.982 4.320 8 HG3 LYS 1 HG2 LYS 1 4.610 -4.803 5.130 9 HD2 LYS 1 HD1 LYS 1 4.181 -5.488 2.273 10 HD3 LYS 1 HD2 LYS 1 4.733 -3.830 2.609 11 HE2 LYS 1 HE1 LYS 1 6.787 -4.763 2.580 12 HE3 LYS 1 HE2 LYS 1 6.378 -5.259 4.240 13 HZ1 LYS 1 HZ1 LYS 1 5.909 -6.922 1.818 14 HZ2 LYS 1 HZ2 LYS 1 5.674 -7.390 3.425 15 HZ3 LYS 1 HZ3 LYS 1 7.237 -7.087 2.853 16 H CYS 2 HN CYS 2 1.101 -6.466 1.934 17 HA CYS 2 HA CYS 2 0.352 -9.207 2.411 18 HB2 CYS 2 HB1 CYS 2 -1.669 -7.089 2.009 19 HB3 CYS 2 HB2 CYS 2 -1.865 -8.538 0.994 20 H ASN 3 HN ASN 3 -0.468 -10.198 0.256 21 HA ASN 3 HA ASN 3 1.005 -8.965 -1.979 22 HB2 ASN 3 HB1 ASN 3 1.812 -11.232 -0.717 23 HB3 ASN 3 HB2 ASN 3 0.755 -11.914 -1.977 24 HD21 ASN 3 1HD2 ASN 3 1.610 -12.228 -3.907 25 HD22 ASN 3 2HD2 ASN 3 3.083 -11.540 -4.493 26 H THR 4 HN THR 4 0.340 -10.641 -4.001 27 HA THR 4 HA THR 4 -2.164 -9.759 -4.814 28 HB THR 4 HB THR 4 -0.883 -12.305 -5.808 29 HG1 THR 4 HG1 THR 4 0.192 -10.835 -7.302 30 HG21 THR 4 3HG2 THR 4 -3.134 -11.845 -6.662 31 HG22 THR 4 1HG2 THR 4 -1.915 -11.658 -7.945 32 HG23 THR 4 2HG2 THR 4 -2.613 -10.219 -7.164 33 H ALA 5 HN ALA 5 -3.904 -10.139 -3.544 34 HA ALA 5 HA ALA 5 -5.208 -12.618 -3.657 35 HB1 ALA 5 HB1 ALA 5 -5.102 -13.319 -1.302 36 HB2 ALA 5 HB2 ALA 5 -3.908 -12.038 -0.988 37 HB3 ALA 5 HB3 ALA 5 -3.508 -13.377 -2.089 38 H THR 6 HN THR 6 -6.838 -12.598 -1.491 39 HA THR 6 HA THR 6 -8.710 -10.638 -2.065 40 HB THR 6 HB THR 6 -8.517 -11.849 0.682 41 HG1 THR 6 HG1 THR 6 -9.358 -13.122 -1.727 42 HG21 THR 6 3HG2 THR 6 -10.331 -10.255 0.265 43 HG22 THR 6 1HG2 THR 6 -10.969 -11.901 0.487 44 HG23 THR 6 2HG2 THR 6 -10.847 -11.208 -1.147 45 H CYS 7 HN CYS 7 -5.955 -10.522 0.053 46 HA CYS 7 HA CYS 7 -6.595 -8.484 1.791 47 HB2 CYS 7 HB1 CYS 7 -4.278 -9.854 1.036 48 HB3 CYS 7 HB2 CYS 7 -3.907 -8.135 0.760 49 H ALA 8 HN ALA 8 -5.838 -8.304 -1.610 50 HA ALA 8 HA ALA 8 -5.132 -5.706 -2.017 51 HB1 ALA 8 HB1 ALA 8 -6.253 -5.836 -4.204 52 HB2 ALA 8 HB2 ALA 8 -7.104 -7.304 -3.665 53 HB3 ALA 8 HB3 ALA 8 -5.332 -7.313 -3.834 54 H THR 9 HN THR 9 -8.379 -6.935 -1.360 55 HA THR 9 HA THR 9 -9.821 -4.585 -1.809 56 HB THR 9 HB THR 9 -10.723 -6.279 0.448 57 HG1 THR 9 HG1 THR 9 -10.480 -7.284 -2.212 58 HG21 THR 9 3HG2 THR 9 -12.174 -4.575 -0.550 59 HG22 THR 9 1HG2 THR 9 -12.840 -6.207 -0.803 60 HG23 THR 9 2HG2 THR 9 -12.015 -5.366 -2.137 61 H GLN 10 HN GLN 10 -8.300 -5.800 1.162 62 HA GLN 10 HA GLN 10 -9.141 -3.691 2.831 63 HB2 GLN 10 HB1 GLN 10 -8.237 -5.918 3.576 64 HB3 GLN 10 HB2 GLN 10 -6.616 -5.330 3.132 65 HG2 GLN 10 HG1 GLN 10 -6.436 -4.047 4.969 66 HG3 GLN 10 HG2 GLN 10 -8.141 -3.541 4.909 67 HE21 GLN 10 1HE2 GLN 10 -9.734 -5.116 5.653 68 HE22 GLN 10 2HE2 GLN 10 -9.312 -6.191 6.938 69 H ARG 11 HN ARG 11 -6.041 -4.234 1.160 70 HA ARG 11 HA ARG 11 -4.749 -1.910 1.958 71 HB2 ARG 11 HB1 ARG 11 -4.486 -3.824 -0.289 72 HB3 ARG 11 HB2 ARG 11 -3.739 -2.227 -0.532 73 HG2 ARG 11 HG1 ARG 11 -2.010 -2.777 0.752 74 HG3 ARG 11 HG2 ARG 11 -3.088 -3.247 2.088 75 HD2 ARG 11 HD1 ARG 11 -1.605 -5.092 1.301 76 HD3 ARG 11 HD2 ARG 11 -3.342 -5.468 1.183 77 HE ARG 11 HE ARG 11 -3.128 -5.567 -1.099 78 HH11 ARG 11 1HH1 ARG 11 -0.284 -4.080 0.250 79 HH12 ARG 11 2HH1 ARG 11 0.595 -4.103 -1.243 80 HH21 ARG 11 1HH2 ARG 11 -1.981 -5.603 -3.070 81 HH22 ARG 11 2HH2 ARG 11 -0.371 -4.968 -3.130 82 H LEU 12 HN LEU 12 -6.341 -2.407 -1.199 83 HA LEU 12 HA LEU 12 -6.238 0.152 -2.156 84 HB2 LEU 12 HB1 LEU 12 -7.459 -2.192 -2.919 85 HB3 LEU 12 HB2 LEU 12 -8.838 -1.101 -2.642 86 HG LEU 12 HG LEU 12 -7.927 0.477 -4.263 87 HD11 LEU 12 1HD1 LEU 12 -5.984 -0.102 -5.636 88 HD12 LEU 12 2HD1 LEU 12 -5.721 -1.556 -4.644 89 HD13 LEU 12 3HD1 LEU 12 -5.549 0.060 -3.918 90 HD21 LEU 12 3HD2 LEU 12 -8.060 -2.356 -5.319 91 HD22 LEU 12 1HD2 LEU 12 -8.234 -0.873 -6.287 92 HD23 LEU 12 2HD2 LEU 12 -9.444 -1.271 -5.044 93 H ALA 13 HN ALA 13 -8.985 -1.219 -0.336 94 HA ALA 13 HA ALA 13 -10.543 1.032 -0.106 95 HB1 ALA 13 HB1 ALA 13 -11.473 0.033 1.943 96 HB2 ALA 13 HB2 ALA 13 -10.116 -1.119 1.980 97 HB3 ALA 13 HB3 ALA 13 -11.285 -1.163 0.638 98 H ASN 14 HN ASN 14 -7.698 0.151 1.773 99 HA ASN 14 HA ASN 14 -7.956 2.200 3.719 100 HB2 ASN 14 HB1 ASN 14 -6.171 0.047 3.167 101 HB3 ASN 14 HB2 ASN 14 -5.202 1.531 3.328 102 HD21 ASN 14 1HD2 ASN 14 -7.885 -0.180 4.915 103 HD22 ASN 14 2HD2 ASN 14 -7.388 0.183 6.530 104 H PHE 15 HN PHE 15 -6.339 1.995 0.595 105 HA PHE 15 HA PHE 15 -5.043 4.538 0.835 106 HB2 PHE 15 HB1 PHE 15 -3.913 3.154 -0.630 107 HB3 PHE 15 HB2 PHE 15 -5.414 2.517 -1.342 108 HD1 PHE 15 HD2 PHE 15 -3.415 5.662 -1.101 109 HD2 PHE 15 HD1 PHE 15 -6.105 3.301 -3.405 110 HE1 PHE 15 HE2 PHE 15 -3.189 7.240 -2.976 111 HE2 PHE 15 HE1 PHE 15 -5.883 4.876 -5.284 112 HZ PHE 15 HZ PHE 15 -4.424 6.848 -5.071 113 H LEU 16 HN LEU 16 -8.165 3.457 -0.132 114 HA LEU 16 HA LEU 16 -8.817 5.792 -1.686 115 HB2 LEU 16 HB1 LEU 16 -10.207 3.319 -0.809 116 HB3 LEU 16 HB2 LEU 16 -11.223 4.735 -1.170 117 HG LEU 16 HG LEU 16 -10.063 4.803 -3.431 118 HD11 LEU 16 1HD1 LEU 16 -9.064 2.710 -4.216 119 HD12 LEU 16 2HD1 LEU 16 -9.208 2.031 -2.577 120 HD13 LEU 16 3HD1 LEU 16 -8.134 3.420 -2.874 121 HD21 LEU 16 3HD2 LEU 16 -11.744 2.386 -2.731 122 HD22 LEU 16 1HD2 LEU 16 -11.502 3.051 -4.363 123 HD23 LEU 16 2HD2 LEU 16 -12.354 4.010 -3.130 124 H VAL 17 HN VAL 17 -9.491 4.607 1.578 125 HA VAL 17 HA VAL 17 -11.112 6.881 2.268 126 HB VAL 17 HB VAL 17 -11.584 4.794 3.371 127 HG11 VAL 17 1HG1 VAL 17 -9.980 3.726 4.899 128 HG12 VAL 17 2HG1 VAL 17 -8.753 4.928 4.435 129 HG13 VAL 17 3HG1 VAL 17 -9.372 3.776 3.227 130 HG21 VAL 17 3HG2 VAL 17 -10.331 6.765 5.298 131 HG22 VAL 17 1HG2 VAL 17 -11.497 5.492 5.729 132 HG23 VAL 17 2HG2 VAL 17 -11.992 6.827 4.661 133 H HIS 18 HN HIS 18 -7.755 5.976 2.545 134 HA HIS 18 HA HIS 18 -7.204 8.382 4.136 135 HB2 HIS 18 HB1 HIS 18 -5.476 5.971 3.533 136 HB3 HIS 18 HB2 HIS 18 -4.956 7.382 4.486 137 HD1 HIS 18 HD1 HIS 18 -6.081 7.680 6.843 138 HD2 HIS 18 HD2 HIS 18 -7.041 4.134 4.900 139 HE1 HIS 18 HE1 HIS 18 -7.107 6.206 8.603 140 H SER 19 HN SER 19 -7.758 9.457 1.966 141 HA SER 19 HA SER 19 -6.168 9.331 -0.283 142 HB2 SER 19 HB1 SER 19 -8.270 10.888 0.507 143 HB3 SER 19 HB2 SER 19 -6.942 12.073 0.505 144 HG SER 19 HG SER 19 -8.154 10.756 -1.609 145 H SER 20 HN SER 20 -5.481 10.764 2.813 146 HA SER 20 HA SER 20 -3.419 12.507 2.163 147 HB2 SER 20 HB1 SER 20 -4.387 11.152 4.564 148 HB3 SER 20 HB2 SER 20 -2.622 11.387 4.582 149 HG SER 20 HG SER 20 -4.675 13.327 4.404 150 H ASN 21 HN ASN 21 -3.416 9.017 2.482 151 HA ASN 21 HA ASN 21 -0.726 8.461 2.684 152 HB2 ASN 21 HB1 ASN 21 -3.020 7.047 1.364 153 HB3 ASN 21 HB2 ASN 21 -1.368 6.413 1.166 154 HD21 ASN 21 1HD2 ASN 21 -0.225 6.792 3.550 155 HD22 ASN 21 2HD2 ASN 21 -1.056 5.919 4.789 156 H ASN 22 HN ASN 22 -2.525 9.600 -0.080 157 HA ASN 22 HA ASN 22 -0.744 8.973 -2.134 158 HB2 ASN 22 HB1 ASN 22 -2.857 9.759 -2.801 159 HB3 ASN 22 HB2 ASN 22 -2.744 11.197 -1.758 160 HD21 ASN 22 1HD2 ASN 22 -1.420 12.922 -2.410 161 HD22 ASN 22 2HD2 ASN 22 -0.952 13.131 -4.060 162 H PHE 23 HN PHE 23 -0.825 11.741 0.063 163 HA PHE 23 HA PHE 23 1.534 12.906 -1.165 164 HB2 PHE 23 HB1 PHE 23 -0.197 14.424 -0.427 165 HB3 PHE 23 HB2 PHE 23 -0.136 13.743 1.217 166 HD1 PHE 23 HD2 PHE 23 2.593 14.805 -1.100 167 HD2 PHE 23 HD1 PHE 23 0.609 15.430 2.613 168 HE1 PHE 23 HE2 PHE 23 4.291 16.473 -0.478 169 HE2 PHE 23 HE1 PHE 23 2.303 17.100 3.241 170 HZ PHE 23 HZ PHE 23 4.148 17.623 1.696 171 H GLY 24 HN GLY 24 0.624 11.561 2.004 172 HA2 GLY 24 HA1 GLY 24 3.109 11.803 3.251 173 HA3 GLY 24 HA2 GLY 24 1.893 10.601 3.657 174 H ALA 25 HN ALA 25 2.051 9.558 0.832 175 HA ALA 25 HA ALA 25 3.750 7.408 1.264 176 HB1 ALA 25 HB1 ALA 25 3.531 6.941 -1.141 177 HB2 ALA 25 HB2 ALA 25 2.832 8.560 -1.378 178 HB3 ALA 25 HB3 ALA 25 1.970 7.354 -0.394 179 H ILE 26 HN ILE 26 4.448 10.585 0.040 180 HA ILE 26 HA ILE 26 7.033 9.870 -1.023 181 HB ILE 26 HB ILE 26 5.834 12.593 -0.498 182 HG12 ILE 26 1HG1 ILE 26 5.988 12.301 -3.206 183 HG13 ILE 26 2HG1 ILE 26 5.621 10.635 -2.697 184 HG21 ILE 26 1HG2 ILE 26 7.593 13.436 -1.996 185 HG22 ILE 26 2HG2 ILE 26 8.287 11.799 -2.079 186 HG23 ILE 26 3HG2 ILE 26 8.267 12.680 -0.533 187 HD11 ILE 26 3HD1 ILE 26 3.636 11.438 -1.501 188 HD12 ILE 26 1HD1 ILE 26 3.580 11.874 -3.225 189 HD13 ILE 26 2HD1 ILE 26 4.002 13.104 -2.010 190 H LEU 27 HN LEU 27 5.735 10.956 1.998 191 HA LEU 27 HA LEU 27 8.259 11.855 3.060 192 HB2 LEU 27 HB1 LEU 27 5.503 12.003 3.795 193 HB3 LEU 27 HB2 LEU 27 6.416 11.290 5.147 194 HG LEU 27 HG LEU 27 7.470 13.788 3.906 195 HD11 LEU 27 1HD1 LEU 27 6.025 15.168 5.323 196 HD12 LEU 27 2HD1 LEU 27 5.116 13.716 5.803 197 HD13 LEU 27 3HD1 LEU 27 5.086 14.266 4.111 198 HD21 LEU 27 3HD2 LEU 27 7.294 12.746 6.741 199 HD22 LEU 27 1HD2 LEU 27 8.122 14.234 6.226 200 HD23 LEU 27 2HD2 LEU 27 8.714 12.649 5.673 201 H SER 28 HN SER 28 6.219 8.984 3.342 202 HA SER 28 HA SER 28 8.084 7.712 5.163 203 HB2 SER 28 HB1 SER 28 5.517 6.724 3.885 204 HB3 SER 28 HB2 SER 28 6.486 5.791 5.051 205 HG SER 28 HG SER 28 4.818 6.907 6.115 206 H SER 29 HN SER 29 7.028 7.410 1.811 207 HA SER 29 HA SER 29 7.888 6.295 0.020 208 HB2 SER 29 HB1 SER 29 10.161 6.495 -0.313 209 HB3 SER 29 HB2 SER 29 9.930 7.665 1.009 210 HG SER 29 HG SER 29 10.913 6.336 2.375 211 H THR 30 HN THR 30 6.810 4.787 2.331 212 HA THR 30 HA THR 30 8.335 2.408 2.662 213 HB THR 30 HB THR 30 6.630 3.148 4.300 214 HG1 THR 30 HG1 THR 30 6.695 1.096 4.784 215 HG21 THR 30 3HG2 THR 30 4.926 3.949 2.732 216 HG22 THR 30 1HG2 THR 30 4.249 2.732 3.839 217 HG23 THR 30 2HG2 THR 30 4.658 2.283 2.166 218 H ASN 31 HN ASN 31 5.982 3.483 0.335 219 HA ASN 31 HA ASN 31 5.989 0.811 -0.902 220 HB2 ASN 31 HB1 ASN 31 3.860 1.211 -1.782 221 HB3 ASN 31 HB2 ASN 31 3.780 1.941 -0.160 222 HD21 ASN 31 1HD2 ASN 31 2.900 2.410 -3.243 223 HD22 ASN 31 2HD2 ASN 31 2.867 4.135 -3.304 224 H VAL 32 HN VAL 32 6.644 4.199 -1.378 225 HA VAL 32 HA VAL 32 7.176 3.847 -4.219 226 HB VAL 32 HB VAL 32 7.607 6.322 -2.546 227 HG11 VAL 32 1HG1 VAL 32 7.468 7.491 -4.706 228 HG12 VAL 32 2HG1 VAL 32 7.302 5.922 -5.530 229 HG13 VAL 32 3HG1 VAL 32 8.808 6.321 -4.670 230 HG21 VAL 32 3HG2 VAL 32 5.175 5.501 -4.146 231 HG22 VAL 32 1HG2 VAL 32 5.423 7.086 -3.375 232 HG23 VAL 32 2HG2 VAL 32 5.278 5.622 -2.373 233 H GLY 33 HN GLY 33 8.974 4.836 -1.304 234 HA2 GLY 33 HA1 GLY 33 11.500 4.889 -2.620 235 HA3 GLY 33 HA2 GLY 33 11.236 4.910 -0.883 236 H SER 34 HN SER 34 10.011 2.542 -0.395 237 HA SER 34 HA SER 34 12.102 0.730 -0.260 238 HB2 SER 34 HB1 SER 34 9.936 0.716 1.074 239 HB3 SER 34 HB2 SER 34 9.184 -0.069 -0.335 240 HG SER 34 HG SER 34 9.946 -1.853 0.470 241 H ASN 35 HN ASN 35 9.826 1.308 -2.821 242 HA ASN 35 HA ASN 35 9.917 -1.053 -4.249 243 HB2 ASN 35 HB1 ASN 35 8.635 1.174 -4.702 244 HB3 ASN 35 HB2 ASN 35 10.068 1.591 -5.673 245 HD21 ASN 35 1HD2 ASN 35 7.424 1.254 -6.658 246 HD22 ASN 35 2HD2 ASN 35 7.440 -0.076 -7.762 247 H THR 36 HN THR 36 12.461 1.102 -3.585 248 HA THR 36 HA THR 36 14.202 -0.378 -5.429 249 HB THR 36 HB THR 36 15.306 2.203 -5.241 250 HG1 THR 36 HG1 THR 36 12.588 2.328 -6.086 251 HG21 THR 36 3HG2 THR 36 15.538 0.666 -7.133 252 HG22 THR 36 1HG2 THR 36 14.933 2.251 -7.670 253 HG23 THR 36 2HG2 THR 36 13.813 0.876 -7.519 254 H TYR 37 HN TYR 37 14.061 1.854 -2.669 255 HA TYR 37 HA TYR 37 16.641 0.858 -1.724 256 HB2 TYR 37 HB1 TYR 37 14.883 3.164 -0.881 257 HB3 TYR 37 HB2 TYR 37 16.313 2.656 0.049 258 HD1 TYR 37 HD2 TYR 37 15.304 3.693 -3.402 259 HD2 TYR 37 HD1 TYR 37 18.387 3.570 -0.473 260 HE1 TYR 37 HE2 TYR 37 16.734 5.065 -4.860 261 HE2 TYR 37 HE1 TYR 37 19.826 4.944 -1.922 262 HH TYR 37 HH TYR 37 20.058 5.495 -4.294 263 HN1 NH2 38 HN1 NH2 37 15.561 1.839 1.330 264 HN2 NH2 38 HN2 NH2 37 14.718 0.286 1.889 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 -8.313 -9.661 8.921 2 H2 LYS 1 HT2 LYS 1 -9.196 -9.662 7.413 3 H3 LYS 1 HT3 LYS 1 -7.552 -9.072 7.462 4 HA LYS 1 HA LYS 1 -6.767 -11.236 8.025 5 HB2 LYS 1 HB1 LYS 1 -9.186 -11.736 9.040 6 HB3 LYS 1 HB2 LYS 1 -9.415 -12.466 7.433 7 HG2 LYS 1 HG1 LYS 1 -6.889 -13.285 8.576 8 HG3 LYS 1 HG2 LYS 1 -8.231 -13.630 9.694 9 HD2 LYS 1 HD1 LYS 1 -9.433 -14.646 7.671 10 HD3 LYS 1 HD2 LYS 1 -7.857 -14.580 6.847 11 HE2 LYS 1 HE1 LYS 1 -6.994 -16.278 8.073 12 HE3 LYS 1 HE2 LYS 1 -7.831 -15.769 9.559 13 HZ1 LYS 1 HZ1 LYS 1 -9.771 -16.866 8.915 14 HZ2 LYS 1 HZ2 LYS 1 -8.541 -17.949 8.497 15 HZ3 LYS 1 HZ3 LYS 1 -9.289 -17.016 7.300 16 H CYS 2 HN CYS 2 -5.955 -12.440 6.343 17 HA CYS 2 HA CYS 2 -7.265 -12.771 3.848 18 HB2 CYS 2 HB1 CYS 2 -5.803 -11.355 2.466 19 HB3 CYS 2 HB2 CYS 2 -6.795 -10.398 3.594 20 H ASN 3 HN ASN 3 -5.354 -13.264 2.108 21 HA ASN 3 HA ASN 3 -3.393 -14.974 3.486 22 HB2 ASN 3 HB1 ASN 3 -5.476 -15.704 1.549 23 HB3 ASN 3 HB2 ASN 3 -3.853 -16.285 1.105 24 HD21 ASN 3 1HD2 ASN 3 -4.801 -18.403 1.437 25 HD22 ASN 3 2HD2 ASN 3 -4.870 -19.062 3.032 26 H THR 4 HN THR 4 -4.143 -14.043 0.126 27 HA THR 4 HA THR 4 -1.836 -12.426 -0.186 28 HB THR 4 HB THR 4 -0.697 -14.617 -0.099 29 HG1 THR 4 HG1 THR 4 0.352 -14.347 -2.211 30 HG21 THR 4 3HG2 THR 4 -2.499 -16.016 -0.991 31 HG22 THR 4 1HG2 THR 4 -1.005 -16.226 -1.934 32 HG23 THR 4 2HG2 THR 4 -2.330 -15.228 -2.577 33 H ALA 5 HN ALA 5 -4.612 -12.259 -0.781 34 HA ALA 5 HA ALA 5 -4.459 -11.334 -3.476 35 HB1 ALA 5 HB1 ALA 5 -6.220 -12.772 -4.422 36 HB2 ALA 5 HB2 ALA 5 -6.211 -13.738 -2.928 37 HB3 ALA 5 HB3 ALA 5 -4.768 -13.696 -3.969 38 H THR 6 HN THR 6 -7.066 -12.600 -1.394 39 HA THR 6 HA THR 6 -8.937 -10.635 -1.923 40 HB THR 6 HB THR 6 -9.471 -12.697 -0.696 41 HG1 THR 6 HG1 THR 6 -10.850 -11.657 0.870 42 HG21 THR 6 3HG2 THR 6 -7.488 -12.810 0.740 43 HG22 THR 6 1HG2 THR 6 -8.980 -12.871 1.709 44 HG23 THR 6 2HG2 THR 6 -8.039 -11.363 1.618 45 H CYS 7 HN CYS 7 -6.168 -10.535 0.190 46 HA CYS 7 HA CYS 7 -6.790 -8.473 1.906 47 HB2 CYS 7 HB1 CYS 7 -4.512 -9.901 1.247 48 HB3 CYS 7 HB2 CYS 7 -4.087 -8.224 0.826 49 H ALA 8 HN ALA 8 -6.015 -8.332 -1.494 50 HA ALA 8 HA ALA 8 -5.276 -5.747 -1.922 51 HB1 ALA 8 HB1 ALA 8 -6.388 -5.884 -4.111 52 HB2 ALA 8 HB2 ALA 8 -7.258 -7.336 -3.563 53 HB3 ALA 8 HB3 ALA 8 -5.486 -7.368 -3.723 54 H THR 9 HN THR 9 -8.541 -6.932 -1.270 55 HA THR 9 HA THR 9 -9.953 -4.568 -1.745 56 HB THR 9 HB THR 9 -10.884 -6.230 0.522 57 HG1 THR 9 HG1 THR 9 -10.840 -7.292 -2.120 58 HG21 THR 9 3HG2 THR 9 -12.310 -4.519 -0.497 59 HG22 THR 9 1HG2 THR 9 -12.994 -6.143 -0.740 60 HG23 THR 9 2HG2 THR 9 -12.153 -5.324 -2.077 61 H GLN 10 HN GLN 10 -8.460 -5.774 1.244 62 HA GLN 10 HA GLN 10 -9.283 -3.640 2.889 63 HB2 GLN 10 HB1 GLN 10 -8.409 -5.871 3.660 64 HB3 GLN 10 HB2 GLN 10 -6.779 -5.307 3.216 65 HG2 GLN 10 HG1 GLN 10 -7.598 -3.260 4.790 66 HG3 GLN 10 HG2 GLN 10 -8.481 -4.616 5.534 67 HE21 GLN 10 1HE2 GLN 10 -6.931 -6.672 5.567 68 HE22 GLN 10 2HE2 GLN 10 -5.412 -6.374 6.335 69 H ARG 11 HN ARG 11 -6.182 -4.235 1.238 70 HA ARG 11 HA ARG 11 -4.866 -1.920 2.020 71 HB2 ARG 11 HB1 ARG 11 -4.616 -3.856 -0.210 72 HB3 ARG 11 HB2 ARG 11 -3.843 -2.272 -0.458 73 HG2 ARG 11 HG1 ARG 11 -2.144 -2.811 0.872 74 HG3 ARG 11 HG2 ARG 11 -3.244 -3.323 2.174 75 HD2 ARG 11 HD1 ARG 11 -1.771 -5.154 1.426 76 HD3 ARG 11 HD2 ARG 11 -3.491 -5.516 1.144 77 HE ARG 11 HE ARG 11 -3.078 -5.532 -1.114 78 HH11 ARG 11 1HH1 ARG 11 -0.369 -4.091 0.533 79 HH12 ARG 11 2HH1 ARG 11 0.635 -4.052 -0.878 80 HH21 ARG 11 1HH2 ARG 11 -1.766 -5.485 -2.977 81 HH22 ARG 11 2HH2 ARG 11 -0.161 -4.845 -2.875 82 H LEU 12 HN LEU 12 -6.449 -2.428 -1.140 83 HA LEU 12 HA LEU 12 -6.309 0.122 -2.121 84 HB2 LEU 12 HB1 LEU 12 -7.555 -2.216 -2.868 85 HB3 LEU 12 HB2 LEU 12 -8.923 -1.107 -2.608 86 HG LEU 12 HG LEU 12 -7.985 0.445 -4.239 87 HD11 LEU 12 1HD1 LEU 12 -6.042 -0.171 -5.596 88 HD12 LEU 12 2HD1 LEU 12 -5.802 -1.618 -4.589 89 HD13 LEU 12 3HD1 LEU 12 -5.613 0.002 -3.878 90 HD21 LEU 12 3HD2 LEU 12 -8.147 -2.395 -5.269 91 HD22 LEU 12 1HD2 LEU 12 -8.297 -0.919 -6.251 92 HD23 LEU 12 2HD2 LEU 12 -9.519 -1.290 -5.011 93 H ALA 13 HN ALA 13 -9.081 -1.199 -0.301 94 HA ALA 13 HA ALA 13 -10.613 1.072 -0.100 95 HB1 ALA 13 HB1 ALA 13 -11.566 0.106 1.953 96 HB2 ALA 13 HB2 ALA 13 -10.224 -1.061 2.010 97 HB3 ALA 13 HB3 ALA 13 -11.386 -1.106 0.663 98 H ASN 14 HN ASN 14 -7.788 0.175 1.800 99 HA ASN 14 HA ASN 14 -8.030 2.245 3.727 100 HB2 ASN 14 HB1 ASN 14 -6.326 0.044 3.273 101 HB3 ASN 14 HB2 ASN 14 -5.280 1.485 3.284 102 HD21 ASN 14 1HD2 ASN 14 -7.302 -0.605 5.140 103 HD22 ASN 14 2HD2 ASN 14 -6.980 0.095 6.687 104 H PHE 15 HN PHE 15 -6.402 1.992 0.614 105 HA PHE 15 HA PHE 15 -5.076 4.520 0.834 106 HB2 PHE 15 HB1 PHE 15 -3.956 3.108 -0.610 107 HB3 PHE 15 HB2 PHE 15 -5.463 2.483 -1.324 108 HD1 PHE 15 HD1 PHE 15 -3.425 5.605 -1.103 109 HD2 PHE 15 HD2 PHE 15 -6.132 3.256 -3.399 110 HE1 PHE 15 HE1 PHE 15 -3.169 7.162 -2.991 111 HE2 PHE 15 HE2 PHE 15 -5.880 4.810 -5.291 112 HZ PHE 15 HZ PHE 15 -4.396 6.765 -5.089 113 H LEU 16 HN LEU 16 -8.207 3.469 -0.137 114 HA LEU 16 HA LEU 16 -8.821 5.796 -1.716 115 HB2 LEU 16 HB1 LEU 16 -10.247 3.348 -0.824 116 HB3 LEU 16 HB2 LEU 16 -11.244 4.772 -1.204 117 HG LEU 16 HG LEU 16 -10.081 4.808 -3.460 118 HD11 LEU 16 1HD1 LEU 16 -9.086 2.706 -4.221 119 HD12 LEU 16 2HD1 LEU 16 -9.238 2.042 -2.577 120 HD13 LEU 16 3HD1 LEU 16 -8.159 3.424 -2.883 121 HD21 LEU 16 3HD2 LEU 16 -11.771 2.401 -2.740 122 HD22 LEU 16 1HD2 LEU 16 -11.523 3.050 -4.379 123 HD23 LEU 16 2HD2 LEU 16 -12.375 4.023 -3.156 124 H VAL 17 HN VAL 17 -9.527 4.650 1.554 125 HA VAL 17 HA VAL 17 -11.124 6.949 2.214 126 HB VAL 17 HB VAL 17 -11.625 4.880 3.336 127 HG11 VAL 17 1HG1 VAL 17 -10.043 3.807 4.881 128 HG12 VAL 17 2HG1 VAL 17 -8.798 4.989 4.410 129 HG13 VAL 17 3HG1 VAL 17 -9.427 3.833 3.211 130 HG21 VAL 17 3HG2 VAL 17 -10.359 6.855 5.248 131 HG22 VAL 17 1HG2 VAL 17 -11.541 5.599 5.686 132 HG23 VAL 17 2HG2 VAL 17 -12.016 6.928 4.602 133 H HIS 18 HN HIS 18 -7.779 6.007 2.518 134 HA HIS 18 HA HIS 18 -7.207 8.422 4.089 135 HB2 HIS 18 HB1 HIS 18 -5.504 5.985 3.517 136 HB3 HIS 18 HB2 HIS 18 -4.972 7.398 4.460 137 HD1 HIS 18 HD1 HIS 18 -6.106 7.732 6.808 138 HD2 HIS 18 HD2 HIS 18 -7.099 4.180 4.895 139 HE1 HIS 18 HE1 HIS 18 -7.159 6.287 8.577 140 H SER 19 HN SER 19 -7.738 9.482 1.906 141 HA SER 19 HA SER 19 -6.138 9.315 -0.335 142 HB2 SER 19 HB1 SER 19 -6.970 11.432 -0.977 143 HB3 SER 19 HB2 SER 19 -8.250 10.727 0.040 144 HG SER 19 HG SER 19 -8.041 12.588 1.042 145 H SER 20 HN SER 20 -5.450 10.771 2.750 146 HA SER 20 HA SER 20 -3.364 12.484 2.093 147 HB2 SER 20 HB1 SER 20 -3.550 10.760 4.583 148 HB3 SER 20 HB2 SER 20 -2.634 12.276 4.403 149 HG SER 20 HG SER 20 -4.490 13.410 4.397 150 H ASN 21 HN ASN 21 -3.403 8.997 2.448 151 HA ASN 21 HA ASN 21 -0.721 8.411 2.668 152 HB2 ASN 21 HB1 ASN 21 -3.027 7.012 1.354 153 HB3 ASN 21 HB2 ASN 21 -1.382 6.356 1.166 154 HD21 ASN 21 1HD2 ASN 21 -0.244 6.745 3.554 155 HD22 ASN 21 2HD2 ASN 21 -1.090 5.895 4.797 156 H ASN 22 HN ASN 22 -2.492 9.543 -0.116 157 HA ASN 22 HA ASN 22 -0.710 8.874 -2.154 158 HB2 ASN 22 HB1 ASN 22 -2.810 9.676 -2.837 159 HB3 ASN 22 HB2 ASN 22 -2.685 11.124 -1.808 160 HD21 ASN 22 1HD2 ASN 22 -1.337 12.828 -2.474 161 HD22 ASN 22 2HD2 ASN 22 -0.859 13.014 -4.123 162 H PHE 23 HN PHE 23 -0.768 11.664 0.015 163 HA PHE 23 HA PHE 23 1.608 12.789 -1.212 164 HB2 PHE 23 HB1 PHE 23 -0.122 14.326 -0.491 165 HB3 PHE 23 HB2 PHE 23 -0.046 13.672 1.163 166 HD1 PHE 23 HD1 PHE 23 2.663 14.680 -1.200 167 HD2 PHE 23 HD2 PHE 23 0.723 15.379 2.523 168 HE1 PHE 23 HE1 PHE 23 4.377 16.349 -0.624 169 HE2 PHE 23 HE2 PHE 23 2.433 17.049 3.104 170 HZ PHE 23 HZ PHE 23 4.262 17.537 1.530 171 H GLY 24 HN GLY 24 0.669 11.487 1.965 172 HA2 GLY 24 HA1 GLY 24 3.150 11.714 3.222 173 HA3 GLY 24 HA2 GLY 24 1.919 10.530 3.634 174 H ALA 25 HN ALA 25 2.078 9.458 0.819 175 HA ALA 25 HA ALA 25 3.748 7.291 1.282 176 HB1 ALA 25 HB1 ALA 25 3.535 6.802 -1.120 177 HB2 ALA 25 HB2 ALA 25 2.857 8.428 -1.376 178 HB3 ALA 25 HB3 ALA 25 1.976 7.242 -0.383 179 H ILE 26 HN ILE 26 4.491 10.448 0.028 180 HA ILE 26 HA ILE 26 7.072 9.691 -1.014 181 HB ILE 26 HB ILE 26 5.903 12.433 -0.523 182 HG12 ILE 26 1HG1 ILE 26 6.064 12.113 -3.227 183 HG13 ILE 26 2HG1 ILE 26 5.679 10.455 -2.704 184 HG21 ILE 26 1HG2 ILE 26 7.677 13.240 -2.019 185 HG22 ILE 26 2HG2 ILE 26 8.355 11.596 -2.082 186 HG23 ILE 26 3HG2 ILE 26 8.336 12.493 -0.545 187 HD11 ILE 26 3HD1 ILE 26 3.696 11.289 -1.524 188 HD12 ILE 26 1HD1 ILE 26 3.653 11.709 -3.253 189 HD13 ILE 26 2HD1 ILE 26 4.082 12.946 -2.047 190 H LEU 27 HN LEU 27 5.773 10.819 1.990 191 HA LEU 27 HA LEU 27 8.299 11.703 3.056 192 HB2 LEU 27 HB1 LEU 27 5.501 11.691 3.879 193 HB3 LEU 27 HB2 LEU 27 6.615 11.296 5.211 194 HG LEU 27 HG LEU 27 7.437 13.641 3.663 195 HD11 LEU 27 1HD1 LEU 27 5.716 15.135 4.559 196 HD12 LEU 27 2HD1 LEU 27 4.828 13.726 5.188 197 HD13 LEU 27 3HD1 LEU 27 5.029 13.940 3.433 198 HD21 LEU 27 3HD2 LEU 27 6.891 13.146 6.599 199 HD22 LEU 27 1HD2 LEU 27 7.698 14.578 5.915 200 HD23 LEU 27 2HD2 LEU 27 8.461 12.976 5.778 201 H SER 28 HN SER 28 6.228 8.857 3.359 202 HA SER 28 HA SER 28 8.077 7.582 5.197 203 HB2 SER 28 HB1 SER 28 5.431 7.404 5.079 204 HB3 SER 28 HB2 SER 28 5.806 6.099 3.927 205 HG SER 28 HG SER 28 5.769 5.132 5.898 206 H SER 29 HN SER 29 7.031 7.267 1.842 207 HA SER 29 HA SER 29 7.865 6.106 0.072 208 HB2 SER 29 HB1 SER 29 10.565 5.682 1.084 209 HB3 SER 29 HB2 SER 29 10.012 6.651 -0.304 210 HG SER 29 HG SER 29 10.717 7.455 2.205 211 H THR 30 HN THR 30 6.831 4.639 2.434 212 HA THR 30 HA THR 30 8.369 2.282 2.812 213 HB THR 30 HB THR 30 6.674 2.989 4.441 214 HG1 THR 30 HG1 THR 30 7.071 0.843 4.605 215 HG21 THR 30 3HG2 THR 30 4.997 3.872 2.887 216 HG22 THR 30 1HG2 THR 30 4.282 2.658 3.973 217 HG23 THR 30 2HG2 THR 30 4.677 2.226 2.293 218 H ASN 31 HN ASN 31 6.055 3.287 0.424 219 HA ASN 31 HA ASN 31 6.178 0.604 -0.791 220 HB2 ASN 31 HB1 ASN 31 3.904 1.273 -0.030 221 HB3 ASN 31 HB2 ASN 31 3.990 2.676 -1.124 222 HD21 ASN 31 1HD2 ASN 31 3.204 2.415 -3.088 223 HD22 ASN 31 2HD2 ASN 31 2.898 0.908 -3.875 224 H VAL 32 HN VAL 32 6.508 4.041 -1.262 225 HA VAL 32 HA VAL 32 6.891 3.820 -4.121 226 HB VAL 32 HB VAL 32 7.313 6.177 -2.277 227 HG11 VAL 32 1HG1 VAL 32 7.298 7.531 -4.328 228 HG12 VAL 32 2HG1 VAL 32 7.211 6.041 -5.297 229 HG13 VAL 32 3HG1 VAL 32 8.651 6.374 -4.306 230 HG21 VAL 32 3HG2 VAL 32 5.004 5.478 -4.104 231 HG22 VAL 32 1HG2 VAL 32 5.176 6.991 -3.182 232 HG23 VAL 32 2HG2 VAL 32 4.987 5.443 -2.325 233 H GLY 33 HN GLY 33 8.976 5.355 -1.673 234 HA2 GLY 33 HA1 GLY 33 11.335 5.118 -3.156 235 HA3 GLY 33 HA2 GLY 33 11.255 5.360 -1.417 236 H SER 34 HN SER 34 9.806 2.871 -0.939 237 HA SER 34 HA SER 34 11.906 1.170 -0.364 238 HB2 SER 34 HB1 SER 34 10.316 -0.405 0.297 239 HB3 SER 34 HB2 SER 34 9.408 1.123 0.402 240 HG SER 34 HG SER 34 8.196 -0.438 -0.710 241 H ASN 35 HN ASN 35 9.958 1.384 -3.283 242 HA ASN 35 HA ASN 35 10.633 -0.971 -4.555 243 HB2 ASN 35 HB1 ASN 35 9.070 0.987 -5.285 244 HB3 ASN 35 HB2 ASN 35 10.528 1.609 -6.094 245 HD21 ASN 35 1HD2 ASN 35 8.384 1.013 -7.607 246 HD22 ASN 35 2HD2 ASN 35 8.662 -0.419 -8.533 247 H THR 36 HN THR 36 12.669 1.612 -3.695 248 HA THR 36 HA THR 36 14.777 0.627 -5.506 249 HB THR 36 HB THR 36 14.516 3.359 -4.233 250 HG1 THR 36 HG1 THR 36 13.532 3.844 -6.032 251 HG21 THR 36 3HG2 THR 36 16.861 2.667 -4.390 252 HG22 THR 36 1HG2 THR 36 16.496 3.955 -5.562 253 HG23 THR 36 2HG2 THR 36 16.629 2.267 -6.109 254 H TYR 37 HN TYR 37 14.216 1.952 -2.251 255 HA TYR 37 HA TYR 37 16.686 0.640 -1.353 256 HB2 TYR 37 HB1 TYR 37 15.034 2.793 -0.008 257 HB3 TYR 37 HB2 TYR 37 16.552 2.106 0.618 258 HD1 TYR 37 HD2 TYR 37 15.118 4.050 -2.220 259 HD2 TYR 37 HD1 TYR 37 18.628 2.980 -0.066 260 HE1 TYR 37 HE2 TYR 37 16.395 5.734 -3.477 261 HE2 TYR 37 HE1 TYR 37 19.915 4.664 -1.316 262 HH TYR 37 HH TYR 37 18.360 6.717 -3.766 263 HN1 NH2 38 HN1 NH2 37 14.513 -1.351 -1.887 264 HN2 NH2 38 HN2 NH2 37 13.855 -1.878 -0.237 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 -10.138 -11.751 6.490 2 H2 LYS 1 HT2 LYS 1 -9.851 -11.721 4.767 3 H3 LYS 1 HT3 LYS 1 -9.392 -10.353 5.753 4 HA LYS 1 HA LYS 1 -7.790 -11.682 6.890 5 HB2 LYS 1 HB1 LYS 1 -9.242 -13.821 5.566 6 HB3 LYS 1 HB2 LYS 1 -7.490 -13.939 5.271 7 HG2 LYS 1 HG1 LYS 1 -8.750 -13.678 8.011 8 HG3 LYS 1 HG2 LYS 1 -8.291 -15.222 7.254 9 HD2 LYS 1 HD1 LYS 1 -5.975 -14.594 7.206 10 HD3 LYS 1 HD2 LYS 1 -6.360 -12.931 7.710 11 HE2 LYS 1 HE1 LYS 1 -7.470 -14.765 9.620 12 HE3 LYS 1 HE2 LYS 1 -5.760 -15.179 9.346 13 HZ1 LYS 1 HZ1 LYS 1 -5.117 -12.969 9.907 14 HZ2 LYS 1 HZ2 LYS 1 -6.143 -13.521 11.132 15 HZ3 LYS 1 HZ3 LYS 1 -6.722 -12.435 9.972 16 H CYS 2 HN CYS 2 -5.849 -11.011 6.240 17 HA CYS 2 HA CYS 2 -5.489 -10.325 3.424 18 HB2 CYS 2 HB1 CYS 2 -5.018 -8.578 5.044 19 HB3 CYS 2 HB2 CYS 2 -3.862 -9.640 5.883 20 H ASN 3 HN ASN 3 -4.470 -11.675 2.112 21 HA ASN 3 HA ASN 3 -2.354 -13.393 3.225 22 HB2 ASN 3 HB1 ASN 3 -3.103 -14.971 1.261 23 HB3 ASN 3 HB2 ASN 3 -3.976 -14.985 2.812 24 HD21 ASN 3 1HD2 ASN 3 -4.137 -14.307 -0.552 25 HD22 ASN 3 2HD2 ASN 3 -5.803 -13.856 -0.610 26 H THR 4 HN THR 4 -3.666 -12.191 0.134 27 HA THR 4 HA THR 4 -1.348 -10.862 -0.672 28 HB THR 4 HB THR 4 -0.190 -12.930 -0.850 29 HG1 THR 4 HG1 THR 4 0.047 -11.536 -2.674 30 HG21 THR 4 3HG2 THR 4 -2.117 -14.441 -0.785 31 HG22 THR 4 1HG2 THR 4 -1.036 -14.845 -2.140 32 HG23 THR 4 2HG2 THR 4 -2.551 -13.962 -2.443 33 H ALA 5 HN ALA 5 -4.139 -12.752 -1.699 34 HA ALA 5 HA ALA 5 -4.475 -11.048 -4.054 35 HB1 ALA 5 HB1 ALA 5 -6.224 -12.645 -4.722 36 HB2 ALA 5 HB2 ALA 5 -5.961 -13.545 -3.209 37 HB3 ALA 5 HB3 ALA 5 -4.663 -13.446 -4.423 38 H THR 6 HN THR 6 -6.800 -12.452 -1.748 39 HA THR 6 HA THR 6 -8.784 -10.549 -2.079 40 HB THR 6 HB THR 6 -8.359 -11.771 0.623 41 HG1 THR 6 HG1 THR 6 -8.995 -13.757 -0.143 42 HG21 THR 6 3HG2 THR 6 -10.330 -10.365 0.245 43 HG22 THR 6 1HG2 THR 6 -10.798 -12.062 0.508 44 HG23 THR 6 2HG2 THR 6 -10.794 -11.385 -1.137 45 H CYS 7 HN CYS 7 -5.916 -10.456 -0.073 46 HA CYS 7 HA CYS 7 -6.514 -8.443 1.708 47 HB2 CYS 7 HB1 CYS 7 -4.387 -9.800 1.557 48 HB3 CYS 7 HB2 CYS 7 -3.867 -8.687 0.269 49 H ALA 8 HN ALA 8 -5.836 -8.215 -1.709 50 HA ALA 8 HA ALA 8 -5.144 -5.606 -2.089 51 HB1 ALA 8 HB1 ALA 8 -6.304 -5.712 -4.259 52 HB2 ALA 8 HB2 ALA 8 -7.136 -7.192 -3.725 53 HB3 ALA 8 HB3 ALA 8 -5.367 -7.188 -3.925 54 H THR 9 HN THR 9 -8.376 -6.861 -1.404 55 HA THR 9 HA THR 9 -9.831 -4.506 -1.787 56 HB THR 9 HB THR 9 -10.705 -6.241 0.448 57 HG1 THR 9 HG1 THR 9 -10.442 -7.207 -2.224 58 HG21 THR 9 3HG2 THR 9 -12.170 -4.531 -0.522 59 HG22 THR 9 1HG2 THR 9 -12.830 -6.162 -0.788 60 HG23 THR 9 2HG2 THR 9 -12.017 -5.303 -2.118 61 H GLN 10 HN GLN 10 -8.242 -5.769 1.125 62 HA GLN 10 HA GLN 10 -9.075 -3.708 2.859 63 HB2 GLN 10 HB1 GLN 10 -6.501 -5.267 3.109 64 HB3 GLN 10 HB2 GLN 10 -7.475 -4.542 4.411 65 HG2 GLN 10 HG1 GLN 10 -9.241 -6.270 3.166 66 HG3 GLN 10 HG2 GLN 10 -7.694 -7.150 3.122 67 HE21 GLN 10 1HE2 GLN 10 -10.286 -6.030 5.071 68 HE22 GLN 10 2HE2 GLN 10 -9.746 -6.695 6.569 69 H ARG 11 HN ARG 11 -5.995 -4.180 1.129 70 HA ARG 11 HA ARG 11 -4.724 -1.852 1.949 71 HB2 ARG 11 HB1 ARG 11 -4.363 -3.859 -0.105 72 HB3 ARG 11 HB2 ARG 11 -3.934 -2.241 -0.713 73 HG2 ARG 11 HG1 ARG 11 -2.189 -1.995 0.776 74 HG3 ARG 11 HG2 ARG 11 -2.882 -3.144 1.945 75 HD2 ARG 11 HD1 ARG 11 -1.568 -4.735 1.107 76 HD3 ARG 11 HD2 ARG 11 -2.434 -4.594 -0.442 77 HE ARG 11 HE ARG 11 -0.408 -2.598 -0.156 78 HH11 ARG 11 1HH1 ARG 11 -0.957 -5.942 -0.951 79 HH12 ARG 11 2HH1 ARG 11 0.456 -6.073 -1.944 80 HH21 ARG 11 1HH2 ARG 11 1.455 -2.757 -1.461 81 HH22 ARG 11 2HH2 ARG 11 1.828 -4.262 -2.233 82 H LEU 12 HN LEU 12 -6.349 -2.321 -1.196 83 HA LEU 12 HA LEU 12 -6.292 0.255 -2.113 84 HB2 LEU 12 HB1 LEU 12 -7.489 -2.095 -2.898 85 HB3 LEU 12 HB2 LEU 12 -8.881 -1.031 -2.585 86 HG LEU 12 HG LEU 12 -8.014 0.588 -4.193 87 HD11 LEU 12 1HD1 LEU 12 -6.080 0.059 -5.599 88 HD12 LEU 12 2HD1 LEU 12 -5.785 -1.407 -4.634 89 HD13 LEU 12 3HD1 LEU 12 -5.626 0.200 -3.884 90 HD21 LEU 12 3HD2 LEU 12 -8.120 -2.229 -5.294 91 HD22 LEU 12 1HD2 LEU 12 -8.328 -0.732 -6.234 92 HD23 LEU 12 2HD2 LEU 12 -9.516 -1.169 -4.984 93 H ALA 13 HN ALA 13 -8.998 -1.182 -0.282 94 HA ALA 13 HA ALA 13 -10.582 1.043 0.003 95 HB1 ALA 13 HB1 ALA 13 -11.475 0.001 2.045 96 HB2 ALA 13 HB2 ALA 13 -10.105 -1.134 2.048 97 HB3 ALA 13 HB3 ALA 13 -11.288 -1.171 0.719 98 H ASN 14 HN ASN 14 -7.704 0.170 1.833 99 HA ASN 14 HA ASN 14 -7.965 2.181 3.817 100 HB2 ASN 14 HB1 ASN 14 -6.388 0.006 3.565 101 HB3 ASN 14 HB2 ASN 14 -5.240 1.271 3.063 102 HD21 ASN 14 1HD2 ASN 14 -4.238 2.394 4.590 103 HD22 ASN 14 2HD2 ASN 14 -4.625 2.378 6.274 104 H PHE 15 HN PHE 15 -6.386 2.052 0.671 105 HA PHE 15 HA PHE 15 -5.122 4.608 0.937 106 HB2 PHE 15 HB1 PHE 15 -3.991 3.264 -0.565 107 HB3 PHE 15 HB2 PHE 15 -5.493 2.618 -1.269 108 HD1 PHE 15 HD2 PHE 15 -3.540 5.792 -1.000 109 HD2 PHE 15 HD1 PHE 15 -6.213 3.420 -3.312 110 HE1 PHE 15 HE2 PHE 15 -3.363 7.403 -2.852 111 HE2 PHE 15 HE1 PHE 15 -6.038 5.025 -5.168 112 HZ PHE 15 HZ PHE 15 -4.612 7.020 -4.939 113 H LEU 16 HN LEU 16 -8.239 3.499 -0.012 114 HA LEU 16 HA LEU 16 -8.944 5.848 -1.521 115 HB2 LEU 16 HB1 LEU 16 -10.264 3.330 -0.691 116 HB3 LEU 16 HB2 LEU 16 -11.328 4.733 -0.957 117 HG LEU 16 HG LEU 16 -10.202 4.918 -3.250 118 HD11 LEU 16 1HD1 LEU 16 -9.271 2.837 -4.147 119 HD12 LEU 16 2HD1 LEU 16 -9.392 2.093 -2.535 120 HD13 LEU 16 3HD1 LEU 16 -8.293 3.467 -2.800 121 HD21 LEU 16 3HD2 LEU 16 -11.921 2.510 -2.609 122 HD22 LEU 16 1HD2 LEU 16 -11.705 3.239 -4.219 123 HD23 LEU 16 2HD2 LEU 16 -12.504 4.162 -2.924 124 H VAL 17 HN VAL 17 -9.561 4.605 1.733 125 HA VAL 17 HA VAL 17 -11.202 6.847 2.476 126 HB VAL 17 HB VAL 17 -11.634 4.740 3.554 127 HG11 VAL 17 1HG1 VAL 17 -10.000 3.667 5.045 128 HG12 VAL 17 2HG1 VAL 17 -8.793 4.890 4.582 129 HG13 VAL 17 3HG1 VAL 17 -9.416 3.749 3.366 130 HG21 VAL 17 3HG2 VAL 17 -10.381 6.696 5.494 131 HG22 VAL 17 1HG2 VAL 17 -11.525 5.401 5.920 132 HG23 VAL 17 2HG2 VAL 17 -12.050 6.745 4.879 133 H HIS 18 HN HIS 18 -7.830 5.978 2.705 134 HA HIS 18 HA HIS 18 -7.293 8.370 4.324 135 HB2 HIS 18 HB1 HIS 18 -5.539 5.989 3.665 136 HB3 HIS 18 HB2 HIS 18 -5.027 7.391 4.635 137 HD1 HIS 18 HD1 HIS 18 -6.134 7.637 7.008 138 HD2 HIS 18 HD2 HIS 18 -7.066 4.111 5.020 139 HE1 HIS 18 HE1 HIS 18 -7.121 6.122 8.754 140 H SER 19 HN SER 19 -7.877 9.480 2.189 141 HA SER 19 HA SER 19 -6.325 9.405 -0.089 142 HB2 SER 19 HB1 SER 19 -7.989 11.492 1.244 143 HB3 SER 19 HB2 SER 19 -6.884 12.029 -0.045 144 HG SER 19 HG SER 19 -9.249 10.802 -0.284 145 H SER 20 HN SER 20 -5.589 10.779 3.022 146 HA SER 20 HA SER 20 -3.542 12.542 2.369 147 HB2 SER 20 HB1 SER 20 -4.155 10.876 4.794 148 HB3 SER 20 HB2 SER 20 -2.623 11.780 4.712 149 HG SER 20 HG SER 20 -5.049 12.698 5.321 150 H ASN 21 HN ASN 21 -3.526 9.045 2.621 151 HA ASN 21 HA ASN 21 -0.832 8.493 2.771 152 HB2 ASN 21 HB1 ASN 21 -3.151 7.100 1.475 153 HB3 ASN 21 HB2 ASN 21 -1.503 6.475 1.218 154 HD21 ASN 21 1HD2 ASN 21 -1.008 4.906 2.553 155 HD22 ASN 21 2HD2 ASN 21 -1.532 4.740 4.193 156 H ASN 22 HN ASN 22 -2.678 9.684 0.061 157 HA ASN 22 HA ASN 22 -0.948 9.092 -2.042 158 HB2 ASN 22 HB1 ASN 22 -3.061 9.923 -2.646 159 HB3 ASN 22 HB2 ASN 22 -2.911 11.330 -1.565 160 HD21 ASN 22 1HD2 ASN 22 -1.583 13.060 -2.197 161 HD22 ASN 22 2HD2 ASN 22 -1.145 13.309 -3.849 162 H PHE 23 HN PHE 23 -0.942 11.808 0.222 163 HA PHE 23 HA PHE 23 1.405 12.969 -1.029 164 HB2 PHE 23 HB1 PHE 23 -0.352 14.451 -0.183 165 HB3 PHE 23 HB2 PHE 23 -0.131 13.783 1.452 166 HD1 PHE 23 HD2 PHE 23 2.348 14.890 -1.114 167 HD2 PHE 23 HD1 PHE 23 0.719 15.474 2.774 168 HE1 PHE 23 HE2 PHE 23 4.066 16.590 -0.654 169 HE2 PHE 23 HE1 PHE 23 2.434 17.176 3.241 170 HZ PHE 23 HZ PHE 23 4.111 17.735 1.525 171 H GLY 24 HN GLY 24 0.543 11.548 2.118 172 HA2 GLY 24 HA1 GLY 24 3.049 11.734 3.329 173 HA3 GLY 24 HA2 GLY 24 1.833 10.527 3.718 174 H ALA 25 HN ALA 25 1.899 9.515 0.909 175 HA ALA 25 HA ALA 25 3.629 7.374 1.245 176 HB1 ALA 25 HB1 ALA 25 3.311 6.930 -1.155 177 HB2 ALA 25 HB2 ALA 25 2.596 8.548 -1.346 178 HB3 ALA 25 HB3 ALA 25 1.781 7.328 -0.339 179 H ILE 26 HN ILE 26 4.260 10.571 0.039 180 HA ILE 26 HA ILE 26 6.798 9.886 -1.149 181 HB ILE 26 HB ILE 26 5.611 12.593 -0.525 182 HG12 ILE 26 1HG1 ILE 26 5.657 12.346 -3.244 183 HG13 ILE 26 2HG1 ILE 26 5.312 10.673 -2.745 184 HG21 ILE 26 1HG2 ILE 26 7.303 13.473 -2.078 185 HG22 ILE 26 2HG2 ILE 26 8.002 11.843 -2.219 186 HG23 ILE 26 3HG2 ILE 26 8.041 12.695 -0.657 187 HD11 ILE 26 3HD1 ILE 26 3.378 11.456 -1.456 188 HD12 ILE 26 1HD1 ILE 26 3.250 11.918 -3.170 189 HD13 ILE 26 2HD1 ILE 26 3.722 13.129 -1.955 190 H LEU 27 HN LEU 27 5.631 10.958 1.938 191 HA LEU 27 HA LEU 27 8.180 11.857 2.910 192 HB2 LEU 27 HB1 LEU 27 5.461 11.437 4.069 193 HB3 LEU 27 HB2 LEU 27 6.852 11.554 5.173 194 HG LEU 27 HG LEU 27 5.592 13.688 4.826 195 HD11 LEU 27 1HD1 LEU 27 7.592 15.077 4.570 196 HD12 LEU 27 2HD1 LEU 27 8.487 13.669 3.949 197 HD13 LEU 27 3HD1 LEU 27 7.896 13.679 5.628 198 HD21 LEU 27 3HD2 LEU 27 6.779 13.509 2.048 199 HD22 LEU 27 1HD2 LEU 27 5.949 14.923 2.738 200 HD23 LEU 27 2HD2 LEU 27 5.050 13.412 2.459 201 H SER 28 HN SER 28 6.203 8.943 3.285 202 HA SER 28 HA SER 28 8.232 7.670 4.923 203 HB2 SER 28 HB1 SER 28 5.428 7.339 4.516 204 HB3 SER 28 HB2 SER 28 6.226 5.812 4.069 205 HG SER 28 HG SER 28 7.229 5.820 6.119 206 H SER 29 HN SER 29 6.919 7.430 1.660 207 HA SER 29 HA SER 29 7.642 6.364 -0.215 208 HB2 SER 29 HB1 SER 29 10.383 6.092 0.992 209 HB3 SER 29 HB2 SER 29 9.922 6.464 -0.687 210 HG SER 29 HG SER 29 10.714 8.305 0.481 211 H THR 30 HN THR 30 6.319 4.670 1.304 212 HA THR 30 HA THR 30 7.905 2.325 1.921 213 HB THR 30 HB THR 30 6.022 2.918 3.383 214 HG1 THR 30 HG1 THR 30 5.728 0.846 3.708 215 HG21 THR 30 3HG2 THR 30 4.531 3.899 1.704 216 HG22 THR 30 1HG2 THR 30 3.707 2.610 2.613 217 HG23 THR 30 2HG2 THR 30 4.303 2.296 0.966 218 H ASN 31 HN ASN 31 5.946 3.524 -0.668 219 HA ASN 31 HA ASN 31 6.074 0.900 -1.999 220 HB2 ASN 31 HB1 ASN 31 4.123 1.404 -3.186 221 HB3 ASN 31 HB2 ASN 31 3.806 2.062 -1.562 222 HD21 ASN 31 1HD2 ASN 31 3.421 2.699 -4.713 223 HD22 ASN 31 2HD2 ASN 31 3.444 4.427 -4.693 224 H VAL 32 HN VAL 32 6.978 4.239 -2.171 225 HA VAL 32 HA VAL 32 7.992 3.913 -4.903 226 HB VAL 32 HB VAL 32 6.693 5.933 -4.515 227 HG11 VAL 32 1HG1 VAL 32 7.482 7.683 -2.980 228 HG12 VAL 32 2HG1 VAL 32 8.775 6.596 -2.421 229 HG13 VAL 32 3HG1 VAL 32 7.071 6.182 -2.119 230 HG21 VAL 32 3HG2 VAL 32 9.647 6.510 -4.841 231 HG22 VAL 32 1HG2 VAL 32 8.320 7.602 -5.302 232 HG23 VAL 32 2HG2 VAL 32 8.517 6.040 -6.133 233 H GLY 33 HN GLY 33 9.030 4.437 -1.596 234 HA2 GLY 33 HA1 GLY 33 11.803 4.820 -2.375 235 HA3 GLY 33 HA2 GLY 33 11.170 4.811 -0.734 236 H SER 34 HN SER 34 10.090 2.479 -0.297 237 HA SER 34 HA SER 34 12.194 0.716 0.075 238 HB2 SER 34 HB1 SER 34 9.308 0.683 0.446 239 HB3 SER 34 HB2 SER 34 9.921 -0.913 -0.051 240 HG SER 34 HG SER 34 11.575 -0.485 1.681 241 H ASN 35 HN ASN 35 10.099 1.133 -2.674 242 HA ASN 35 HA ASN 35 10.378 -1.274 -3.999 243 HB2 ASN 35 HB1 ASN 35 9.421 1.303 -4.612 244 HB3 ASN 35 HB2 ASN 35 10.611 0.911 -5.877 245 HD21 ASN 35 1HD2 ASN 35 7.730 1.182 -6.103 246 HD22 ASN 35 2HD2 ASN 35 7.140 -0.330 -6.699 247 H THR 36 HN THR 36 12.789 0.998 -3.237 248 HA THR 36 HA THR 36 14.693 -0.432 -4.965 249 HB THR 36 HB THR 36 15.627 2.238 -4.485 250 HG1 THR 36 HG1 THR 36 13.969 3.436 -5.071 251 HG21 THR 36 3HG2 THR 36 16.406 0.763 -6.278 252 HG22 THR 36 1HG2 THR 36 15.772 2.289 -6.939 253 HG23 THR 36 2HG2 THR 36 14.789 0.808 -7.022 254 H TYR 37 HN TYR 37 14.186 1.492 -2.048 255 HA TYR 37 HA TYR 37 16.737 0.504 -0.976 256 HB2 TYR 37 HB1 TYR 37 14.978 2.638 0.239 257 HB3 TYR 37 HB2 TYR 37 16.690 2.295 0.588 258 HD1 TYR 37 HD2 TYR 37 17.787 2.074 -2.155 259 HD2 TYR 37 HD1 TYR 37 14.998 4.850 -0.537 260 HE1 TYR 37 HE2 TYR 37 18.469 3.731 -3.840 261 HE2 TYR 37 HE1 TYR 37 15.670 6.515 -2.218 262 HH TYR 37 HH TYR 37 16.765 6.764 -4.227 263 HN1 NH2 38 HN1 NH2 37 15.344 -1.890 -0.895 264 HN2 NH2 38 HN2 NH2 37 14.465 -2.104 0.722 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 2.545 -8.725 7.270 2 H2 LYS 1 HT2 LYS 1 1.111 -9.504 6.646 3 H3 LYS 1 HT3 LYS 1 1.440 -7.834 6.252 4 HA LYS 1 HA LYS 1 3.382 -8.473 5.055 5 HB2 LYS 1 HB1 LYS 1 3.812 -10.872 4.599 6 HB3 LYS 1 HB2 LYS 1 4.036 -10.433 6.309 7 HG2 LYS 1 HG1 LYS 1 1.652 -11.270 6.671 8 HG3 LYS 1 HG2 LYS 1 1.776 -11.984 5.044 9 HD2 LYS 1 HD1 LYS 1 2.378 -13.697 6.581 10 HD3 LYS 1 HD2 LYS 1 3.893 -13.130 5.837 11 HE2 LYS 1 HE1 LYS 1 4.614 -12.089 7.769 12 HE3 LYS 1 HE2 LYS 1 2.961 -11.861 8.391 13 HZ1 LYS 1 HZ1 LYS 1 2.963 -14.412 8.555 14 HZ2 LYS 1 HZ2 LYS 1 3.817 -13.531 9.719 15 HZ3 LYS 1 HZ3 LYS 1 4.648 -14.288 8.453 16 H CYS 2 HN CYS 2 0.222 -10.018 5.187 17 HA CYS 2 HA CYS 2 -1.375 -10.399 3.610 18 HB2 CYS 2 HB1 CYS 2 -0.042 -7.877 2.775 19 HB3 CYS 2 HB2 CYS 2 -1.100 -8.663 1.579 20 H ASN 3 HN ASN 3 -0.288 -12.449 3.157 21 HA ASN 3 HA ASN 3 1.227 -12.523 0.655 22 HB2 ASN 3 HB1 ASN 3 0.798 -14.474 2.907 23 HB3 ASN 3 HB2 ASN 3 1.390 -15.034 1.324 24 HD21 ASN 3 1HD2 ASN 3 3.479 -14.757 0.824 25 HD22 ASN 3 2HD2 ASN 3 4.639 -13.950 1.818 26 H THR 4 HN THR 4 -1.565 -11.899 0.568 27 HA THR 4 HA THR 4 -2.444 -14.080 -1.170 28 HB THR 4 HB THR 4 -4.777 -13.142 0.153 29 HG1 THR 4 HG1 THR 4 -2.687 -13.976 1.905 30 HG21 THR 4 3HG2 THR 4 -4.520 -15.324 -0.932 31 HG22 THR 4 1HG2 THR 4 -5.027 -15.511 0.763 32 HG23 THR 4 2HG2 THR 4 -3.332 -15.803 0.304 33 H ALA 5 HN ALA 5 -4.170 -13.452 -2.637 34 HA ALA 5 HA ALA 5 -3.774 -10.808 -3.653 35 HB1 ALA 5 HB1 ALA 5 -5.388 -11.460 -5.392 36 HB2 ALA 5 HB2 ALA 5 -5.733 -12.956 -4.491 37 HB3 ALA 5 HB3 ALA 5 -4.111 -12.679 -5.169 38 H THR 6 HN THR 6 -6.313 -12.439 -1.845 39 HA THR 6 HA THR 6 -8.391 -10.632 -2.108 40 HB THR 6 HB THR 6 -7.786 -11.947 0.530 41 HG1 THR 6 HG1 THR 6 -8.675 -13.140 -1.894 42 HG21 THR 6 3HG2 THR 6 -9.753 -10.488 0.418 43 HG22 THR 6 1HG2 THR 6 -10.234 -12.190 0.615 44 HG23 THR 6 2HG2 THR 6 -10.360 -11.408 -0.979 45 H CYS 7 HN CYS 7 -5.527 -10.462 -0.081 46 HA CYS 7 HA CYS 7 -6.207 -8.466 1.690 47 HB2 CYS 7 HB1 CYS 7 -3.775 -9.629 0.654 48 HB3 CYS 7 HB2 CYS 7 -3.576 -7.877 0.895 49 H ALA 8 HN ALA 8 -5.473 -8.218 -1.713 50 HA ALA 8 HA ALA 8 -4.834 -5.597 -2.085 51 HB1 ALA 8 HB1 ALA 8 -5.962 -5.724 -4.268 52 HB2 ALA 8 HB2 ALA 8 -6.773 -7.219 -3.746 53 HB3 ALA 8 HB3 ALA 8 -5.003 -7.182 -3.923 54 H THR 9 HN THR 9 -8.045 -6.917 -1.432 55 HA THR 9 HA THR 9 -9.550 -4.598 -1.838 56 HB THR 9 HB THR 9 -10.395 -6.346 0.398 57 HG1 THR 9 HG1 THR 9 -10.824 -8.078 -1.016 58 HG21 THR 9 3HG2 THR 9 -11.894 -4.665 -0.566 59 HG22 THR 9 1HG2 THR 9 -12.520 -6.309 -0.840 60 HG23 THR 9 2HG2 THR 9 -11.724 -5.427 -2.165 61 H GLN 10 HN GLN 10 -7.982 -5.817 1.106 62 HA GLN 10 HA GLN 10 -8.866 -3.754 2.810 63 HB2 GLN 10 HB1 GLN 10 -7.907 -5.966 3.521 64 HB3 GLN 10 HB2 GLN 10 -6.303 -5.335 3.075 65 HG2 GLN 10 HG1 GLN 10 -6.157 -4.026 4.908 66 HG3 GLN 10 HG2 GLN 10 -7.895 -3.642 4.906 67 HE21 GLN 10 1HE2 GLN 10 -9.353 -5.307 5.688 68 HE22 GLN 10 2HE2 GLN 10 -8.817 -6.384 6.930 69 H ARG 11 HN ARG 11 -5.763 -4.194 1.117 70 HA ARG 11 HA ARG 11 -4.526 -1.850 1.941 71 HB2 ARG 11 HB1 ARG 11 -4.229 -3.721 -0.339 72 HB3 ARG 11 HB2 ARG 11 -3.516 -2.103 -0.552 73 HG2 ARG 11 HG1 ARG 11 -1.788 -2.604 0.762 74 HG3 ARG 11 HG2 ARG 11 -2.857 -3.216 2.047 75 HD2 ARG 11 HD1 ARG 11 -1.329 -4.960 1.252 76 HD3 ARG 11 HD2 ARG 11 -3.025 -5.371 0.897 77 HE ARG 11 HE ARG 11 -2.553 -5.238 -1.347 78 HH11 ARG 11 1HH1 ARG 11 0.081 -3.864 0.467 79 HH12 ARG 11 2HH1 ARG 11 1.132 -3.740 -0.905 80 HH21 ARG 11 1HH2 ARG 11 -1.179 -5.078 -3.161 81 HH22 ARG 11 2HH2 ARG 11 0.415 -4.429 -2.968 82 H LEU 12 HN LEU 12 -6.120 -2.344 -1.215 83 HA LEU 12 HA LEU 12 -6.085 0.232 -2.135 84 HB2 LEU 12 HB1 LEU 12 -7.251 -2.132 -2.928 85 HB3 LEU 12 HB2 LEU 12 -8.657 -1.082 -2.628 86 HG LEU 12 HG LEU 12 -7.796 0.543 -4.230 87 HD11 LEU 12 1HD1 LEU 12 -5.845 0.033 -5.620 88 HD12 LEU 12 2HD1 LEU 12 -5.540 -1.427 -4.650 89 HD13 LEU 12 3HD1 LEU 12 -5.406 0.182 -3.902 90 HD21 LEU 12 3HD2 LEU 12 -7.862 -2.277 -5.326 91 HD22 LEU 12 1HD2 LEU 12 -8.079 -0.785 -6.271 92 HD23 LEU 12 2HD2 LEU 12 -9.271 -1.232 -5.029 93 H ALA 13 HN ALA 13 -8.789 -1.232 -0.323 94 HA ALA 13 HA ALA 13 -10.401 0.975 -0.054 95 HB1 ALA 13 HB1 ALA 13 -11.296 -0.073 1.984 96 HB2 ALA 13 HB2 ALA 13 -9.912 -1.191 2.000 97 HB3 ALA 13 HB3 ALA 13 -11.085 -1.247 0.663 98 H ASN 14 HN ASN 14 -7.526 0.138 1.800 99 HA ASN 14 HA ASN 14 -7.824 2.151 3.777 100 HB2 ASN 14 HB1 ASN 14 -6.158 -0.006 3.429 101 HB3 ASN 14 HB2 ASN 14 -5.063 1.365 3.131 102 HD21 ASN 14 1HD2 ASN 14 -4.198 2.327 4.831 103 HD22 ASN 14 2HD2 ASN 14 -4.719 2.155 6.469 104 H PHE 15 HN PHE 15 -6.219 2.033 0.644 105 HA PHE 15 HA PHE 15 -4.988 4.604 0.914 106 HB2 PHE 15 HB1 PHE 15 -3.830 3.268 -0.577 107 HB3 PHE 15 HB2 PHE 15 -5.320 2.606 -1.291 108 HD1 PHE 15 HD2 PHE 15 -3.403 5.800 -1.014 109 HD2 PHE 15 HD1 PHE 15 -6.035 3.396 -3.340 110 HE1 PHE 15 HE2 PHE 15 -3.229 7.409 -2.868 111 HE2 PHE 15 HE1 PHE 15 -5.864 5.001 -5.199 112 HZ PHE 15 HZ PHE 15 -4.461 7.012 -4.962 113 H LEU 16 HN LEU 16 -8.086 3.458 -0.056 114 HA LEU 16 HA LEU 16 -8.805 5.796 -1.574 115 HB2 LEU 16 HB1 LEU 16 -10.125 3.277 -0.724 116 HB3 LEU 16 HB2 LEU 16 -11.181 4.672 -1.055 117 HG LEU 16 HG LEU 16 -10.038 4.806 -3.323 118 HD11 LEU 16 1HD1 LEU 16 -9.001 2.747 -4.150 119 HD12 LEU 16 2HD1 LEU 16 -9.118 2.039 -2.522 120 HD13 LEU 16 3HD1 LEU 16 -8.076 3.453 -2.804 121 HD21 LEU 16 3HD2 LEU 16 -11.660 2.342 -2.649 122 HD22 LEU 16 1HD2 LEU 16 -11.445 3.037 -4.273 123 HD23 LEU 16 2HD2 LEU 16 -12.307 3.958 -3.018 124 H VAL 17 HN VAL 17 -9.432 4.552 1.677 125 HA VAL 17 HA VAL 17 -11.104 6.776 2.405 126 HB VAL 17 HB VAL 17 -11.521 4.667 3.484 127 HG11 VAL 17 1HG1 VAL 17 -9.885 3.614 4.988 128 HG12 VAL 17 2HG1 VAL 17 -8.688 4.850 4.533 129 HG13 VAL 17 3HG1 VAL 17 -9.287 3.701 3.314 130 HG21 VAL 17 3HG2 VAL 17 -10.304 6.641 5.430 131 HG22 VAL 17 1HG2 VAL 17 -11.436 5.334 5.851 132 HG23 VAL 17 2HG2 VAL 17 -11.969 6.670 4.803 133 H HIS 18 HN HIS 18 -7.725 5.946 2.660 134 HA HIS 18 HA HIS 18 -7.225 8.346 4.278 135 HB2 HIS 18 HB1 HIS 18 -5.440 5.986 3.635 136 HB3 HIS 18 HB2 HIS 18 -4.951 7.395 4.608 137 HD1 HIS 18 HD1 HIS 18 -6.079 7.632 6.972 138 HD2 HIS 18 HD2 HIS 18 -6.955 4.091 4.982 139 HE1 HIS 18 HE1 HIS 18 -7.062 6.109 8.714 140 H SER 19 HN SER 19 -7.806 9.447 2.136 141 HA SER 19 HA SER 19 -6.237 9.386 -0.130 142 HB2 SER 19 HB1 SER 19 -8.386 10.764 0.428 143 HB3 SER 19 HB2 SER 19 -7.230 12.015 0.947 144 HG SER 19 HG SER 19 -8.043 11.594 -1.483 145 H SER 20 HN SER 20 -5.540 10.772 2.984 146 HA SER 20 HA SER 20 -3.507 12.556 2.342 147 HB2 SER 20 HB1 SER 20 -4.540 11.311 4.710 148 HB3 SER 20 HB2 SER 20 -2.762 11.237 4.754 149 HG SER 20 HG SER 20 -2.720 13.486 4.442 150 H ASN 21 HN ASN 21 -3.455 9.062 2.603 151 HA ASN 21 HA ASN 21 -0.755 8.539 2.773 152 HB2 ASN 21 HB1 ASN 21 -3.049 7.116 1.465 153 HB3 ASN 21 HB2 ASN 21 -1.393 6.510 1.221 154 HD21 ASN 21 1HD2 ASN 21 -0.892 4.948 2.564 155 HD22 ASN 21 2HD2 ASN 21 -1.424 4.782 4.199 156 H ASN 22 HN ASN 22 -2.595 9.703 0.048 157 HA ASN 22 HA ASN 22 -0.846 9.126 -2.042 158 HB2 ASN 22 HB1 ASN 22 -2.962 9.933 -2.663 159 HB3 ASN 22 HB2 ASN 22 -2.835 11.343 -1.584 160 HD21 ASN 22 1HD2 ASN 22 -1.517 13.086 -2.210 161 HD22 ASN 22 2HD2 ASN 22 -1.071 13.337 -3.860 162 H PHE 23 HN PHE 23 -0.881 11.846 0.217 163 HA PHE 23 HA PHE 23 1.463 13.028 -1.022 164 HB2 PHE 23 HB1 PHE 23 -0.338 14.475 -0.176 165 HB3 PHE 23 HB2 PHE 23 -0.070 13.836 1.464 166 HD1 PHE 23 HD2 PHE 23 2.359 14.933 -1.152 167 HD2 PHE 23 HD1 PHE 23 0.743 15.595 2.729 168 HE1 PHE 23 HE2 PHE 23 4.048 16.676 -0.750 169 HE2 PHE 23 HE1 PHE 23 2.428 17.340 3.138 170 HZ PHE 23 HZ PHE 23 4.084 17.882 1.398 171 H GLY 24 HN GLY 24 0.595 11.601 2.121 172 HA2 GLY 24 HA1 GLY 24 3.092 11.814 3.347 173 HA3 GLY 24 HA2 GLY 24 1.883 10.599 3.733 174 H ALA 25 HN ALA 25 1.983 9.591 0.916 175 HA ALA 25 HA ALA 25 3.730 7.464 1.272 176 HB1 ALA 25 HB1 ALA 25 3.427 7.007 -1.127 177 HB2 ALA 25 HB2 ALA 25 2.694 8.617 -1.327 178 HB3 ALA 25 HB3 ALA 25 1.889 7.391 -0.318 179 H ILE 26 HN ILE 26 4.333 10.663 0.060 180 HA ILE 26 HA ILE 26 6.881 10.002 -1.118 181 HB ILE 26 HB ILE 26 5.667 12.698 -0.503 182 HG12 ILE 26 1HG1 ILE 26 5.716 12.448 -3.221 183 HG13 ILE 26 2HG1 ILE 26 5.390 10.771 -2.720 184 HG21 ILE 26 1HG2 ILE 26 7.352 13.589 -2.056 185 HG22 ILE 26 2HG2 ILE 26 8.066 11.965 -2.193 186 HG23 ILE 26 3HG2 ILE 26 8.097 12.822 -0.634 187 HD11 ILE 26 3HD1 ILE 26 3.446 11.534 -1.433 188 HD12 ILE 26 1HD1 ILE 26 3.315 11.993 -3.147 189 HD13 ILE 26 2HD1 ILE 26 3.773 13.211 -1.933 190 H LEU 27 HN LEU 27 5.694 11.023 1.971 191 HA LEU 27 HA LEU 27 8.253 11.934 2.941 192 HB2 LEU 27 HB1 LEU 27 5.553 11.492 4.188 193 HB3 LEU 27 HB2 LEU 27 6.986 11.836 5.187 194 HG LEU 27 HG LEU 27 6.338 13.705 2.954 195 HD11 LEU 27 1HD1 LEU 27 4.799 14.959 4.386 196 HD12 LEU 27 2HD1 LEU 27 4.875 13.660 5.599 197 HD13 LEU 27 3HD1 LEU 27 4.165 13.343 3.998 198 HD21 LEU 27 3HD2 LEU 27 7.400 14.055 5.765 199 HD22 LEU 27 1HD2 LEU 27 7.230 15.341 4.547 200 HD23 LEU 27 2HD2 LEU 27 8.371 14.003 4.275 201 H SER 28 HN SER 28 6.240 9.051 3.267 202 HA SER 28 HA SER 28 8.174 7.770 5.009 203 HB2 SER 28 HB1 SER 28 6.603 5.942 5.152 204 HB3 SER 28 HB2 SER 28 5.704 7.470 5.315 205 HG SER 28 HG SER 28 4.539 6.543 3.788 206 H SER 29 HN SER 29 7.020 7.519 1.687 207 HA SER 29 HA SER 29 7.887 6.515 -0.161 208 HB2 SER 29 HB1 SER 29 10.495 5.879 1.115 209 HB3 SER 29 HB2 SER 29 10.147 6.657 -0.448 210 HG SER 29 HG SER 29 9.466 8.520 0.875 211 H THR 30 HN THR 30 6.418 4.927 1.602 212 HA THR 30 HA THR 30 7.807 2.411 1.946 213 HB THR 30 HB THR 30 6.136 3.175 3.610 214 HG1 THR 30 HG1 THR 30 5.736 1.127 3.983 215 HG21 THR 30 3HG2 THR 30 4.543 4.238 2.079 216 HG22 THR 30 1HG2 THR 30 3.740 3.003 3.078 217 HG23 THR 30 2HG2 THR 30 4.149 2.648 1.383 218 H ASN 31 HN ASN 31 5.712 3.907 -0.367 219 HA ASN 31 HA ASN 31 5.378 1.341 -1.767 220 HB2 ASN 31 HB1 ASN 31 3.354 2.808 -1.100 221 HB3 ASN 31 HB2 ASN 31 3.874 3.863 -2.436 222 HD21 ASN 31 1HD2 ASN 31 3.885 3.003 -4.563 223 HD22 ASN 31 2HD2 ASN 31 2.869 1.670 -4.987 224 H VAL 32 HN VAL 32 6.731 4.527 -1.966 225 HA VAL 32 HA VAL 32 7.485 4.094 -4.772 226 HB VAL 32 HB VAL 32 6.417 6.236 -4.340 227 HG11 VAL 32 1HG1 VAL 32 7.469 7.920 -2.891 228 HG12 VAL 32 2HG1 VAL 32 8.685 6.718 -2.395 229 HG13 VAL 32 3HG1 VAL 32 6.972 6.476 -1.977 230 HG21 VAL 32 3HG2 VAL 32 9.387 6.516 -4.861 231 HG22 VAL 32 1HG2 VAL 32 8.145 7.728 -5.259 232 HG23 VAL 32 2HG2 VAL 32 8.136 6.145 -6.071 233 H GLY 33 HN GLY 33 8.786 4.586 -1.549 234 HA2 GLY 33 HA1 GLY 33 11.525 4.677 -2.507 235 HA3 GLY 33 HA2 GLY 33 11.000 4.745 -0.831 236 H SER 34 HN SER 34 9.520 2.442 -0.605 237 HA SER 34 HA SER 34 11.412 0.516 -0.034 238 HB2 SER 34 HB1 SER 34 9.660 -0.871 0.556 239 HB3 SER 34 HB2 SER 34 8.845 0.711 0.566 240 HG SER 34 HG SER 34 8.055 0.257 -1.509 241 H ASN 35 HN ASN 35 9.695 1.108 -3.029 242 HA ASN 35 HA ASN 35 10.129 -1.249 -4.398 243 HB2 ASN 35 HB1 ASN 35 9.502 1.504 -5.072 244 HB3 ASN 35 HB2 ASN 35 10.551 0.760 -6.303 245 HD21 ASN 35 1HD2 ASN 35 8.863 0.804 -7.808 246 HD22 ASN 35 2HD2 ASN 35 7.548 -0.315 -7.736 247 H THR 36 HN THR 36 12.434 0.977 -3.263 248 HA THR 36 HA THR 36 14.512 -0.255 -4.954 249 HB THR 36 HB THR 36 14.511 2.511 -3.730 250 HG1 THR 36 HG1 THR 36 13.549 2.944 -5.563 251 HG21 THR 36 3HG2 THR 36 16.755 1.528 -3.708 252 HG22 THR 36 1HG2 THR 36 16.642 2.829 -4.918 253 HG23 THR 36 2HG2 THR 36 16.599 1.127 -5.435 254 H TYR 37 HN TYR 37 13.787 1.059 -1.742 255 HA TYR 37 HA TYR 37 16.162 -0.237 -0.646 256 HB2 TYR 37 HB1 TYR 37 14.169 1.744 0.439 257 HB3 TYR 37 HB2 TYR 37 15.308 0.890 1.509 258 HD1 TYR 37 HD1 TYR 37 15.348 2.857 -1.686 259 HD2 TYR 37 HD2 TYR 37 17.313 1.942 1.975 260 HE1 TYR 37 HE1 TYR 37 17.078 4.527 -2.205 261 HE2 TYR 37 HE2 TYR 37 19.049 3.610 1.466 262 HH TYR 37 HH TYR 37 19.971 4.656 -0.856 263 HN1 NH2 38 HN1 NH2 37 14.508 -0.313 2.281 264 HN2 NH2 38 HN2 NH2 37 13.630 -1.938 2.127 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 4.716 -8.167 5.307 2 H2 LYS 1 HT2 LYS 1 4.286 -7.709 3.677 3 H3 LYS 1 HT3 LYS 1 4.099 -9.367 4.196 4 HA LYS 1 HA LYS 1 2.442 -8.716 5.759 5 HB2 LYS 1 HB1 LYS 1 3.331 -6.014 4.916 6 HB3 LYS 1 HB2 LYS 1 1.582 -6.226 5.173 7 HG2 LYS 1 HG1 LYS 1 2.650 -5.403 7.193 8 HG3 LYS 1 HG2 LYS 1 2.027 -7.051 7.446 9 HD2 LYS 1 HD1 LYS 1 4.353 -7.894 6.925 10 HD3 LYS 1 HD2 LYS 1 4.896 -6.199 6.981 11 HE2 LYS 1 HE1 LYS 1 3.286 -6.858 9.305 12 HE3 LYS 1 HE2 LYS 1 4.655 -7.982 9.135 13 HZ1 LYS 1 HZ1 LYS 1 5.459 -6.196 10.389 14 HZ2 LYS 1 HZ2 LYS 1 4.726 -5.031 9.407 15 HZ3 LYS 1 HZ3 LYS 1 6.055 -5.906 8.835 16 H CYS 2 HN CYS 2 0.471 -9.299 5.053 17 HA CYS 2 HA CYS 2 -1.189 -9.903 3.621 18 HB2 CYS 2 HB1 CYS 2 -0.396 -7.173 2.769 19 HB3 CYS 2 HB2 CYS 2 -1.390 -8.108 1.625 20 H ASN 3 HN ASN 3 -0.260 -11.784 2.826 21 HA ASN 3 HA ASN 3 1.372 -11.606 0.410 22 HB2 ASN 3 HB1 ASN 3 2.297 -13.122 1.962 23 HB3 ASN 3 HB2 ASN 3 0.710 -13.844 2.322 24 HD21 ASN 3 1HD2 ASN 3 2.522 -13.174 -0.669 25 HD22 ASN 3 2HD2 ASN 3 2.415 -14.780 -1.294 26 H THR 4 HN THR 4 -1.727 -12.853 1.533 27 HA THR 4 HA THR 4 -2.475 -14.201 -0.820 28 HB THR 4 HB THR 4 -4.657 -12.918 0.699 29 HG1 THR 4 HG1 THR 4 -4.217 -14.460 2.470 30 HG21 THR 4 3HG2 THR 4 -5.061 -14.708 -0.927 31 HG22 THR 4 1HG2 THR 4 -5.526 -15.221 0.713 32 HG23 THR 4 2HG2 THR 4 -3.998 -15.793 0.001 33 H ALA 5 HN ALA 5 -4.250 -13.548 -2.289 34 HA ALA 5 HA ALA 5 -3.695 -10.955 -3.403 35 HB1 ALA 5 HB1 ALA 5 -5.254 -11.622 -5.186 36 HB2 ALA 5 HB2 ALA 5 -5.671 -13.081 -4.256 37 HB3 ALA 5 HB3 ALA 5 -4.018 -12.865 -4.878 38 H THR 6 HN THR 6 -6.379 -12.497 -1.713 39 HA THR 6 HA THR 6 -8.383 -10.638 -2.090 40 HB THR 6 HB THR 6 -8.826 -12.712 -0.926 41 HG1 THR 6 HG1 THR 6 -10.209 -10.968 -0.416 42 HG21 THR 6 3HG2 THR 6 -6.700 -12.941 0.271 43 HG22 THR 6 1HG2 THR 6 -8.079 -13.088 1.386 44 HG23 THR 6 2HG2 THR 6 -7.144 -11.575 1.323 45 H CYS 7 HN CYS 7 -5.582 -10.473 0.009 46 HA CYS 7 HA CYS 7 -6.277 -8.452 1.746 47 HB2 CYS 7 HB1 CYS 7 -3.848 -9.672 0.802 48 HB3 CYS 7 HB2 CYS 7 -3.617 -7.913 0.952 49 H ALA 8 HN ALA 8 -5.480 -8.248 -1.647 50 HA ALA 8 HA ALA 8 -4.816 -5.635 -2.034 51 HB1 ALA 8 HB1 ALA 8 -5.906 -5.779 -4.238 52 HB2 ALA 8 HB2 ALA 8 -6.736 -7.263 -3.713 53 HB3 ALA 8 HB3 ALA 8 -4.962 -7.239 -3.859 54 H THR 9 HN THR 9 -8.048 -6.925 -1.427 55 HA THR 9 HA THR 9 -9.526 -4.598 -1.885 56 HB THR 9 HB THR 9 -10.427 -6.316 0.353 57 HG1 THR 9 HG1 THR 9 -9.996 -7.294 -2.287 58 HG21 THR 9 3HG2 THR 9 -11.895 -4.635 -0.659 59 HG22 THR 9 1HG2 THR 9 -12.529 -6.276 -0.926 60 HG23 THR 9 2HG2 THR 9 -11.701 -5.416 -2.246 61 H GLN 10 HN GLN 10 -8.022 -5.798 1.101 62 HA GLN 10 HA GLN 10 -8.921 -3.710 2.766 63 HB2 GLN 10 HB1 GLN 10 -7.298 -6.032 3.010 64 HB3 GLN 10 HB2 GLN 10 -6.374 -4.657 3.661 65 HG2 GLN 10 HG1 GLN 10 -8.258 -4.102 5.137 66 HG3 GLN 10 HG2 GLN 10 -9.162 -5.496 4.496 67 HE21 GLN 10 1HE2 GLN 10 -8.993 -5.636 7.038 68 HE22 GLN 10 2HE2 GLN 10 -7.755 -6.700 7.601 69 H ARG 11 HN ARG 11 -5.792 -4.191 1.135 70 HA ARG 11 HA ARG 11 -4.553 -1.846 1.958 71 HB2 ARG 11 HB1 ARG 11 -4.222 -3.754 -0.284 72 HB3 ARG 11 HB2 ARG 11 -3.509 -2.140 -0.525 73 HG2 ARG 11 HG1 ARG 11 -1.830 -2.552 0.896 74 HG3 ARG 11 HG2 ARG 11 -2.912 -3.288 2.103 75 HD2 ARG 11 HD1 ARG 11 -1.415 -4.998 1.412 76 HD3 ARG 11 HD2 ARG 11 -2.973 -5.342 0.621 77 HE ARG 11 HE ARG 11 -1.988 -4.946 -1.420 78 HH11 ARG 11 1HH1 ARG 11 0.127 -3.851 1.121 79 HH12 ARG 11 2HH1 ARG 11 1.472 -3.582 0.063 80 HH21 ARG 11 1HH2 ARG 11 -0.224 -4.596 -2.821 81 HH22 ARG 11 2HH2 ARG 11 1.272 -4.005 -2.180 82 H LEU 12 HN LEU 12 -6.092 -2.363 -1.223 83 HA LEU 12 HA LEU 12 -6.023 0.203 -2.172 84 HB2 LEU 12 HB1 LEU 12 -7.188 -2.162 -2.957 85 HB3 LEU 12 HB2 LEU 12 -8.592 -1.098 -2.695 86 HG LEU 12 HG LEU 12 -7.688 0.502 -4.300 87 HD11 LEU 12 1HD1 LEU 12 -5.716 -0.038 -5.647 88 HD12 LEU 12 2HD1 LEU 12 -5.440 -1.489 -4.654 89 HD13 LEU 12 3HD1 LEU 12 -5.308 0.128 -3.923 90 HD21 LEU 12 3HD2 LEU 12 -7.755 -2.331 -5.365 91 HD22 LEU 12 1HD2 LEU 12 -7.944 -0.848 -6.332 92 HD23 LEU 12 2HD2 LEU 12 -9.163 -1.273 -5.107 93 H ALA 13 HN ALA 13 -8.768 -1.225 -0.392 94 HA ALA 13 HA ALA 13 -10.370 0.995 -0.177 95 HB1 ALA 13 HB1 ALA 13 -11.310 -0.023 1.856 96 HB2 ALA 13 HB2 ALA 13 -9.934 -1.151 1.910 97 HB3 ALA 13 HB3 ALA 13 -11.083 -1.213 0.552 98 H ASN 14 HN ASN 14 -7.536 0.161 1.740 99 HA ASN 14 HA ASN 14 -7.857 2.198 3.687 100 HB2 ASN 14 HB1 ASN 14 -6.346 0.052 3.677 101 HB3 ASN 14 HB2 ASN 14 -5.158 1.138 2.915 102 HD21 ASN 14 1HD2 ASN 14 -6.687 0.186 5.819 103 HD22 ASN 14 2HD2 ASN 14 -5.898 1.304 6.876 104 H PHE 15 HN PHE 15 -6.196 2.035 0.586 105 HA PHE 15 HA PHE 15 -4.951 4.599 0.849 106 HB2 PHE 15 HB1 PHE 15 -3.777 3.239 -0.605 107 HB3 PHE 15 HB2 PHE 15 -5.259 2.580 -1.339 108 HD1 PHE 15 HD1 PHE 15 -3.320 5.761 -1.059 109 HD2 PHE 15 HD2 PHE 15 -5.931 3.356 -3.409 110 HE1 PHE 15 HE1 PHE 15 -3.099 7.349 -2.925 111 HE2 PHE 15 HE2 PHE 15 -5.712 4.940 -5.279 112 HZ PHE 15 HZ PHE 15 -4.293 6.940 -5.039 113 H LEU 16 HN LEU 16 -8.039 3.464 -0.163 114 HA LEU 16 HA LEU 16 -8.712 5.791 -1.719 115 HB2 LEU 16 HB1 LEU 16 -10.067 3.289 -0.866 116 HB3 LEU 16 HB2 LEU 16 -11.106 4.687 -1.233 117 HG LEU 16 HG LEU 16 -9.929 4.787 -3.482 118 HD11 LEU 16 1HD1 LEU 16 -8.871 2.722 -4.263 119 HD12 LEU 16 2HD1 LEU 16 -9.017 2.033 -2.629 120 HD13 LEU 16 3HD1 LEU 16 -7.973 3.447 -2.909 121 HD21 LEU 16 3HD2 LEU 16 -11.556 2.326 -2.807 122 HD22 LEU 16 1HD2 LEU 16 -11.315 3.004 -4.435 123 HD23 LEU 16 2HD2 LEU 16 -12.202 3.936 -3.206 124 H VAL 17 HN VAL 17 -9.411 4.585 1.533 125 HA VAL 17 HA VAL 17 -11.079 6.829 2.206 126 HB VAL 17 HB VAL 17 -11.529 4.733 3.299 127 HG11 VAL 17 1HG1 VAL 17 -9.929 3.687 4.844 128 HG12 VAL 17 2HG1 VAL 17 -8.716 4.911 4.398 129 HG13 VAL 17 3HG1 VAL 17 -9.300 3.752 3.180 130 HG21 VAL 17 3HG2 VAL 17 -10.335 6.721 5.244 131 HG22 VAL 17 1HG2 VAL 17 -11.484 5.427 5.659 132 HG23 VAL 17 2HG2 VAL 17 -11.988 6.755 4.586 133 H HIS 18 HN HIS 18 -7.711 5.981 2.530 134 HA HIS 18 HA HIS 18 -7.225 8.393 4.132 135 HB2 HIS 18 HB1 HIS 18 -5.443 6.015 3.549 136 HB3 HIS 18 HB2 HIS 18 -4.964 7.432 4.515 137 HD1 HIS 18 HD1 HIS 18 -6.136 7.702 6.854 138 HD2 HIS 18 HD2 HIS 18 -6.996 4.144 4.888 139 HE1 HIS 18 HE1 HIS 18 -7.162 6.205 8.593 140 H SER 19 HN SER 19 -7.758 9.474 1.966 141 HA SER 19 HA SER 19 -6.148 9.376 -0.270 142 HB2 SER 19 HB1 SER 19 -6.886 11.654 -0.762 143 HB3 SER 19 HB2 SER 19 -8.237 10.691 -0.116 144 HG SER 19 HG SER 19 -8.265 12.607 0.984 145 H SER 20 HN SER 20 -5.500 10.795 2.841 146 HA SER 20 HA SER 20 -3.442 12.557 2.218 147 HB2 SER 20 HB1 SER 20 -4.182 10.964 4.640 148 HB3 SER 20 HB2 SER 20 -2.585 11.750 4.604 149 HG SER 20 HG SER 20 -4.962 12.853 5.109 150 H ASN 21 HN ASN 21 -3.419 9.065 2.519 151 HA ASN 21 HA ASN 21 -0.726 8.527 2.744 152 HB2 ASN 21 HB1 ASN 21 -3.005 7.105 1.407 153 HB3 ASN 21 HB2 ASN 21 -1.348 6.486 1.202 154 HD21 ASN 21 1HD2 ASN 21 -0.877 4.940 2.572 155 HD22 ASN 21 2HD2 ASN 21 -1.442 4.793 4.198 156 H ASN 22 HN ASN 22 -2.508 9.673 -0.029 157 HA ASN 22 HA ASN 22 -0.721 9.061 -2.076 158 HB2 ASN 22 HB1 ASN 22 -2.822 9.873 -2.746 159 HB3 ASN 22 HB2 ASN 22 -2.705 11.295 -1.682 160 HD21 ASN 22 1HD2 ASN 22 -1.371 13.023 -2.304 161 HD22 ASN 22 2HD2 ASN 22 -0.890 13.252 -3.948 162 H PHE 23 HN PHE 23 -0.787 11.808 0.149 163 HA PHE 23 HA PHE 23 1.587 12.964 -1.058 164 HB2 PHE 23 HB1 PHE 23 -0.580 13.983 0.384 165 HB3 PHE 23 HB2 PHE 23 0.809 14.126 1.489 166 HD1 PHE 23 HD2 PHE 23 3.016 14.706 -0.311 167 HD2 PHE 23 HD1 PHE 23 -0.999 16.112 -0.419 168 HE1 PHE 23 HE2 PHE 23 3.760 16.725 -1.503 169 HE2 PHE 23 HE1 PHE 23 -0.263 18.134 -1.613 170 HZ PHE 23 HZ PHE 23 2.120 18.443 -2.156 171 H GLY 24 HN GLY 24 0.649 11.582 2.085 172 HA2 GLY 24 HA1 GLY 24 3.123 11.798 3.359 173 HA3 GLY 24 HA2 GLY 24 1.901 10.590 3.733 174 H ALA 25 HN ALA 25 2.048 9.540 0.940 175 HA ALA 25 HA ALA 25 3.777 7.413 1.350 176 HB1 ALA 25 HB1 ALA 25 3.525 6.934 -1.051 177 HB2 ALA 25 HB2 ALA 25 2.806 8.546 -1.282 178 HB3 ALA 25 HB3 ALA 25 1.972 7.334 -0.280 179 H ILE 26 HN ILE 26 4.425 10.595 0.119 180 HA ILE 26 HA ILE 26 6.997 9.908 -0.992 181 HB ILE 26 HB ILE 26 5.782 12.617 -0.437 182 HG12 ILE 26 1HG1 ILE 26 5.901 12.333 -3.150 183 HG13 ILE 26 2HG1 ILE 26 5.548 10.665 -2.637 184 HG21 ILE 26 1HG2 ILE 26 7.508 13.483 -1.957 185 HG22 ILE 26 2HG2 ILE 26 8.219 11.855 -2.058 186 HG23 ILE 26 3HG2 ILE 26 8.214 12.729 -0.508 187 HD11 ILE 26 3HD1 ILE 26 3.578 11.458 -1.411 188 HD12 ILE 26 1HD1 ILE 26 3.495 11.896 -3.134 189 HD13 ILE 26 2HD1 ILE 26 3.930 13.126 -1.924 190 H LEU 27 HN LEU 27 5.743 11.015 2.048 191 HA LEU 27 HA LEU 27 8.262 11.940 3.075 192 HB2 LEU 27 HB1 LEU 27 5.514 11.520 4.168 193 HB3 LEU 27 HB2 LEU 27 6.876 11.660 5.306 194 HG LEU 27 HG LEU 27 5.615 13.782 4.896 195 HD11 LEU 27 1HD1 LEU 27 7.616 15.179 4.675 196 HD12 LEU 27 2HD1 LEU 27 8.533 13.766 4.101 197 HD13 LEU 27 3HD1 LEU 27 7.895 13.798 5.762 198 HD21 LEU 27 3HD2 LEU 27 6.875 13.573 2.152 199 HD22 LEU 27 1HD2 LEU 27 6.022 14.993 2.803 200 HD23 LEU 27 2HD2 LEU 27 5.136 13.475 2.522 201 H SER 28 HN SER 28 6.288 9.021 3.438 202 HA SER 28 HA SER 28 8.279 7.780 5.145 203 HB2 SER 28 HB1 SER 28 5.746 6.584 3.981 204 HB3 SER 28 HB2 SER 28 6.729 5.913 5.304 205 HG SER 28 HG SER 28 6.101 7.594 6.609 206 H SER 29 HN SER 29 7.059 7.497 1.852 207 HA SER 29 HA SER 29 7.829 6.399 0.013 208 HB2 SER 29 HB1 SER 29 10.564 6.024 1.095 209 HB3 SER 29 HB2 SER 29 10.032 6.745 -0.443 210 HG SER 29 HG SER 29 10.917 8.327 0.940 211 H THR 30 HN THR 30 6.625 4.794 1.955 212 HA THR 30 HA THR 30 8.250 2.407 2.261 213 HB THR 30 HB THR 30 6.827 2.996 4.126 214 HG1 THR 30 HG1 THR 30 5.507 0.781 2.977 215 HG21 THR 30 3HG2 THR 30 5.092 4.227 2.911 216 HG22 THR 30 1HG2 THR 30 4.374 2.969 3.945 217 HG23 THR 30 2HG2 THR 30 4.514 2.707 2.191 218 H ASN 31 HN ASN 31 5.736 3.626 0.199 219 HA ASN 31 HA ASN 31 5.421 0.982 -1.044 220 HB2 ASN 31 HB1 ASN 31 3.433 2.023 -2.179 221 HB3 ASN 31 HB2 ASN 31 3.308 1.918 -0.406 222 HD21 ASN 31 1HD2 ASN 31 2.948 3.900 -3.051 223 HD22 ASN 31 2HD2 ASN 31 2.936 5.430 -2.249 224 H VAL 32 HN VAL 32 6.505 4.244 -1.592 225 HA VAL 32 HA VAL 32 7.005 3.657 -4.424 226 HB VAL 32 HB VAL 32 5.836 5.754 -4.003 227 HG11 VAL 32 1HG1 VAL 32 6.930 7.599 -2.801 228 HG12 VAL 32 2HG1 VAL 32 8.275 6.513 -2.379 229 HG13 VAL 32 3HG1 VAL 32 6.643 6.197 -1.743 230 HG21 VAL 32 3HG2 VAL 32 8.698 6.176 -4.896 231 HG22 VAL 32 1HG2 VAL 32 7.338 7.277 -5.219 232 HG23 VAL 32 2HG2 VAL 32 7.344 5.641 -5.918 233 H GLY 33 HN GLY 33 8.597 4.439 -1.398 234 HA2 GLY 33 HA1 GLY 33 11.205 4.686 -2.633 235 HA3 GLY 33 HA2 GLY 33 10.851 4.755 -0.913 236 H SER 34 HN SER 34 9.760 2.432 -0.275 237 HA SER 34 HA SER 34 11.873 0.656 -0.098 238 HB2 SER 34 HB1 SER 34 9.483 0.783 1.096 239 HB3 SER 34 HB2 SER 34 9.113 -0.484 -0.099 240 HG SER 34 HG SER 34 10.314 -1.832 0.992 241 H ASN 35 HN ASN 35 9.481 1.022 -2.607 242 HA ASN 35 HA ASN 35 9.606 -1.415 -3.898 243 HB2 ASN 35 HB1 ASN 35 8.572 1.135 -4.452 244 HB3 ASN 35 HB2 ASN 35 9.631 0.744 -5.829 245 HD21 ASN 35 1HD2 ASN 35 6.747 -0.095 -4.088 246 HD22 ASN 35 2HD2 ASN 35 6.114 -1.203 -5.254 247 H THR 36 HN THR 36 12.090 0.865 -3.467 248 HA THR 36 HA THR 36 13.794 -0.626 -5.342 249 HB THR 36 HB THR 36 14.876 1.956 -5.225 250 HG1 THR 36 HG1 THR 36 12.981 3.115 -6.122 251 HG21 THR 36 3HG2 THR 36 14.986 0.424 -7.135 252 HG22 THR 36 1HG2 THR 36 14.347 2.010 -7.627 253 HG23 THR 36 2HG2 THR 36 13.239 0.635 -7.407 254 H TYR 37 HN TYR 37 13.769 1.666 -2.623 255 HA TYR 37 HA TYR 37 16.157 0.296 -1.572 256 HB2 TYR 37 HB1 TYR 37 15.417 3.224 -1.486 257 HB3 TYR 37 HB2 TYR 37 16.660 2.509 -0.431 258 HD1 TYR 37 HD1 TYR 37 15.794 3.364 -3.915 259 HD2 TYR 37 HD2 TYR 37 18.813 1.881 -1.310 260 HE1 TYR 37 HE1 TYR 37 17.465 3.651 -5.699 261 HE2 TYR 37 HE2 TYR 37 20.493 2.164 -3.085 262 HH TYR 37 HH TYR 37 20.888 2.875 -5.150 263 HN1 NH2 38 HN1 NH2 37 13.261 2.591 -0.406 264 HN2 NH2 38 HN2 NH2 37 12.992 1.621 1.151 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 -4.071 -13.003 10.736 2 H2 LYS 1 HT2 LYS 1 -5.148 -13.663 9.530 3 H3 LYS 1 HT3 LYS 1 -4.901 -11.936 9.629 4 HA LYS 1 HA LYS 1 -2.627 -12.204 9.018 5 HB2 LYS 1 HB1 LYS 1 -1.779 -14.385 8.266 6 HB3 LYS 1 HB2 LYS 1 -2.229 -14.407 9.988 7 HG2 LYS 1 HG1 LYS 1 -3.807 -15.969 9.677 8 HG3 LYS 1 HG2 LYS 1 -4.395 -15.216 8.175 9 HD2 LYS 1 HD1 LYS 1 -2.282 -16.135 7.070 10 HD3 LYS 1 HD2 LYS 1 -2.070 -17.115 8.541 11 HE2 LYS 1 HE1 LYS 1 -3.292 -18.618 7.357 12 HE3 LYS 1 HE2 LYS 1 -4.652 -17.671 8.006 13 HZ1 LYS 1 HZ1 LYS 1 -5.009 -17.917 5.697 14 HZ2 LYS 1 HZ2 LYS 1 -3.426 -17.472 5.307 15 HZ3 LYS 1 HZ3 LYS 1 -4.504 -16.318 5.916 16 H CYS 2 HN CYS 2 -2.058 -12.034 6.827 17 HA CYS 2 HA CYS 2 -4.193 -11.525 5.059 18 HB2 CYS 2 HB1 CYS 2 -1.382 -11.126 5.117 19 HB3 CYS 2 HB2 CYS 2 -1.767 -11.969 3.598 20 H ASN 3 HN ASN 3 -5.064 -12.673 3.392 21 HA ASN 3 HA ASN 3 -4.762 -15.531 3.486 22 HB2 ASN 3 HB1 ASN 3 -6.673 -13.616 2.418 23 HB3 ASN 3 HB2 ASN 3 -6.321 -14.913 1.250 24 HD21 ASN 3 1HD2 ASN 3 -6.025 -17.108 2.677 25 HD22 ASN 3 2HD2 ASN 3 -7.432 -17.472 3.610 26 H THR 4 HN THR 4 -4.780 -13.407 0.631 27 HA THR 4 HA THR 4 -2.203 -14.238 -0.263 28 HB THR 4 HB THR 4 -3.685 -15.153 -2.446 29 HG1 THR 4 HG1 THR 4 -5.468 -15.883 -1.567 30 HG21 THR 4 3HG2 THR 4 -1.501 -15.993 -1.716 31 HG22 THR 4 1HG2 THR 4 -2.663 -17.327 -1.916 32 HG23 THR 4 2HG2 THR 4 -2.261 -16.733 -0.287 33 H ALA 5 HN ALA 5 -5.207 -13.572 -2.053 34 HA ALA 5 HA ALA 5 -3.941 -11.115 -3.072 35 HB1 ALA 5 HB1 ALA 5 -5.325 -11.378 -5.090 36 HB2 ALA 5 HB2 ALA 5 -5.979 -12.894 -4.425 37 HB3 ALA 5 HB3 ALA 5 -4.250 -12.771 -4.826 38 H THR 6 HN THR 6 -6.765 -12.516 -1.609 39 HA THR 6 HA THR 6 -8.696 -10.594 -2.036 40 HB THR 6 HB THR 6 -9.685 -11.263 0.124 41 HG1 THR 6 HG1 THR 6 -7.587 -13.085 0.544 42 HG21 THR 6 3HG2 THR 6 -10.043 -12.676 -1.848 43 HG22 THR 6 1HG2 THR 6 -9.945 -13.660 -0.369 44 HG23 THR 6 2HG2 THR 6 -8.554 -13.577 -1.475 45 H CYS 7 HN CYS 7 -5.894 -10.472 0.043 46 HA CYS 7 HA CYS 7 -6.541 -8.446 1.796 47 HB2 CYS 7 HB1 CYS 7 -3.910 -8.995 0.408 48 HB3 CYS 7 HB2 CYS 7 -4.103 -7.881 1.783 49 H ALA 8 HN ALA 8 -5.774 -8.245 -1.605 50 HA ALA 8 HA ALA 8 -5.086 -5.639 -1.992 51 HB1 ALA 8 HB1 ALA 8 -6.192 -5.766 -4.188 52 HB2 ALA 8 HB2 ALA 8 -7.032 -7.244 -3.662 53 HB3 ALA 8 HB3 ALA 8 -5.260 -7.237 -3.819 54 H THR 9 HN THR 9 -8.318 -6.898 -1.336 55 HA THR 9 HA THR 9 -9.784 -4.561 -1.791 56 HB THR 9 HB THR 9 -10.660 -6.284 0.460 57 HG1 THR 9 HG1 THR 9 -10.459 -8.086 -0.617 58 HG21 THR 9 3HG2 THR 9 -12.130 -4.570 -0.493 59 HG22 THR 9 1HG2 THR 9 -12.791 -6.200 -0.767 60 HG23 THR 9 2HG2 THR 9 -11.984 -5.332 -2.095 61 H GLN 10 HN GLN 10 -8.264 -5.768 1.185 62 HA GLN 10 HA GLN 10 -9.124 -3.667 2.853 63 HB2 GLN 10 HB1 GLN 10 -7.528 -6.004 3.089 64 HB3 GLN 10 HB2 GLN 10 -6.573 -4.639 3.717 65 HG2 GLN 10 HG1 GLN 10 -7.659 -4.945 5.638 66 HG3 GLN 10 HG2 GLN 10 -9.072 -4.229 4.826 67 HE21 GLN 10 1HE2 GLN 10 -10.649 -5.383 5.792 68 HE22 GLN 10 2HE2 GLN 10 -10.833 -7.096 5.653 69 H ARG 11 HN ARG 11 -6.027 -4.176 1.172 70 HA ARG 11 HA ARG 11 -4.747 -1.849 1.981 71 HB2 ARG 11 HB1 ARG 11 -4.471 -3.766 -0.252 72 HB3 ARG 11 HB2 ARG 11 -3.772 -2.154 -0.540 73 HG2 ARG 11 HG1 ARG 11 -1.971 -2.757 0.606 74 HG3 ARG 11 HG2 ARG 11 -2.979 -2.950 2.061 75 HD2 ARG 11 HD1 ARG 11 -2.632 -5.098 -0.047 76 HD3 ARG 11 HD2 ARG 11 -1.626 -4.976 1.417 77 HE ARG 11 HE ARG 11 -4.365 -5.885 1.248 78 HH11 ARG 11 1HH1 ARG 11 -1.856 -4.624 3.304 79 HH12 ARG 11 2HH1 ARG 11 -2.551 -5.256 4.760 80 HH21 ARG 11 1HH2 ARG 11 -5.289 -6.724 3.157 81 HH22 ARG 11 2HH2 ARG 11 -4.503 -6.451 4.675 82 H LEU 12 HN LEU 12 -6.347 -2.335 -1.176 83 HA LEU 12 HA LEU 12 -6.267 0.234 -2.112 84 HB2 LEU 12 HB1 LEU 12 -7.468 -2.116 -2.890 85 HB3 LEU 12 HB2 LEU 12 -8.857 -1.040 -2.601 86 HG LEU 12 HG LEU 12 -7.965 0.561 -4.212 87 HD11 LEU 12 1HD1 LEU 12 -6.017 0.009 -5.594 88 HD12 LEU 12 2HD1 LEU 12 -5.740 -1.450 -4.613 89 HD13 LEU 12 3HD1 LEU 12 -5.581 0.162 -3.875 90 HD21 LEU 12 3HD2 LEU 12 -8.078 -2.265 -5.292 91 HD22 LEU 12 1HD2 LEU 12 -8.265 -0.775 -6.247 92 HD23 LEU 12 2HD2 LEU 12 -9.469 -1.192 -5.004 93 H ALA 13 HN ALA 13 -8.997 -1.177 -0.296 94 HA ALA 13 HA ALA 13 -10.574 1.057 -0.044 95 HB1 ALA 13 HB1 ALA 13 -11.491 0.035 1.999 96 HB2 ALA 13 HB2 ALA 13 -10.123 -1.104 2.026 97 HB3 ALA 13 HB3 ALA 13 -11.294 -1.151 0.687 98 H ASN 14 HN ASN 14 -7.717 0.188 1.820 99 HA ASN 14 HA ASN 14 -7.987 2.219 3.784 100 HB2 ASN 14 HB1 ASN 14 -6.279 0.050 3.333 101 HB3 ASN 14 HB2 ASN 14 -5.226 1.483 3.251 102 HD21 ASN 14 1HD2 ASN 14 -7.585 -0.214 5.247 103 HD22 ASN 14 2HD2 ASN 14 -7.031 0.411 6.759 104 H PHE 15 HN PHE 15 -6.376 2.054 0.655 105 HA PHE 15 HA PHE 15 -5.105 4.607 0.910 106 HB2 PHE 15 HB1 PHE 15 -3.967 3.246 -0.569 107 HB3 PHE 15 HB2 PHE 15 -5.465 2.602 -1.282 108 HD1 PHE 15 HD2 PHE 15 -3.494 5.762 -1.021 109 HD2 PHE 15 HD1 PHE 15 -6.166 3.393 -3.338 110 HE1 PHE 15 HE2 PHE 15 -3.288 7.357 -2.884 111 HE2 PHE 15 HE1 PHE 15 -5.963 4.984 -5.205 112 HZ PHE 15 HZ PHE 15 -4.524 6.969 -4.978 113 H LEU 16 HN LEU 16 -8.220 3.504 -0.057 114 HA LEU 16 HA LEU 16 -8.898 5.843 -1.592 115 HB2 LEU 16 HB1 LEU 16 -10.265 3.354 -0.725 116 HB3 LEU 16 HB2 LEU 16 -11.293 4.764 -1.076 117 HG LEU 16 HG LEU 16 -10.137 4.854 -3.339 118 HD11 LEU 16 1HD1 LEU 16 -9.129 2.771 -4.139 119 HD12 LEU 16 2HD1 LEU 16 -9.269 2.081 -2.504 120 HD13 LEU 16 3HD1 LEU 16 -8.201 3.475 -2.794 121 HD21 LEU 16 3HD2 LEU 16 -11.802 2.425 -2.649 122 HD22 LEU 16 1HD2 LEU 16 -11.569 3.100 -4.279 123 HD23 LEU 16 2HD2 LEU 16 -12.422 4.048 -3.037 124 H VAL 17 HN VAL 17 -9.556 4.629 1.665 125 HA VAL 17 HA VAL 17 -11.191 6.884 2.375 126 HB VAL 17 HB VAL 17 -11.643 4.788 3.466 127 HG11 VAL 17 1HG1 VAL 17 -10.028 3.721 4.981 128 HG12 VAL 17 2HG1 VAL 17 -8.811 4.935 4.520 129 HG13 VAL 17 3HG1 VAL 17 -9.426 3.787 3.307 130 HG21 VAL 17 3HG2 VAL 17 -10.401 6.755 5.402 131 HG22 VAL 17 1HG2 VAL 17 -11.554 5.469 5.828 132 HG23 VAL 17 2HG2 VAL 17 -12.064 6.807 4.771 133 H HIS 18 HN HIS 18 -7.826 6.006 2.640 134 HA HIS 18 HA HIS 18 -7.292 8.406 4.246 135 HB2 HIS 18 HB1 HIS 18 -5.542 6.015 3.623 136 HB3 HIS 18 HB2 HIS 18 -5.036 7.422 4.589 137 HD1 HIS 18 HD1 HIS 18 -6.166 7.691 6.946 138 HD2 HIS 18 HD2 HIS 18 -7.089 4.151 4.978 139 HE1 HIS 18 HE1 HIS 18 -7.178 6.193 8.696 140 H SER 19 HN SER 19 -7.851 9.501 2.095 141 HA SER 19 HA SER 19 -6.277 9.400 -0.167 142 HB2 SER 19 HB1 SER 19 -8.376 10.939 0.635 143 HB3 SER 19 HB2 SER 19 -7.053 12.130 0.674 144 HG SER 19 HG SER 19 -6.582 11.176 -1.536 145 H SER 20 HN SER 20 -5.566 10.797 2.939 146 HA SER 20 HA SER 20 -3.504 12.545 2.290 147 HB2 SER 20 HB1 SER 20 -4.575 11.356 4.661 148 HB3 SER 20 HB2 SER 20 -2.802 11.209 4.715 149 HG SER 20 HG SER 20 -2.608 13.368 4.691 150 H ASN 21 HN ASN 21 -3.507 9.051 2.575 151 HA ASN 21 HA ASN 21 -0.817 8.488 2.755 152 HB2 ASN 21 HB1 ASN 21 -3.128 7.093 1.451 153 HB3 ASN 21 HB2 ASN 21 -1.481 6.459 1.216 154 HD21 ASN 21 1HD2 ASN 21 -1.006 4.899 2.572 155 HD22 ASN 21 2HD2 ASN 21 -1.545 4.753 4.206 156 H ASN 22 HN ASN 22 -2.631 9.662 0.017 157 HA ASN 22 HA ASN 22 -0.886 9.044 -2.062 158 HB2 ASN 22 HB1 ASN 22 -2.988 9.878 -2.695 159 HB3 ASN 22 HB2 ASN 22 -2.841 11.294 -1.626 160 HD21 ASN 22 1HD2 ASN 22 -1.496 13.013 -2.263 161 HD22 ASN 22 2HD2 ASN 22 -1.042 13.242 -3.914 162 H PHE 23 HN PHE 23 -0.886 11.780 0.176 163 HA PHE 23 HA PHE 23 1.478 12.918 -1.064 164 HB2 PHE 23 HB1 PHE 23 -0.295 14.402 -0.237 165 HB3 PHE 23 HB2 PHE 23 -0.055 13.763 1.407 166 HD1 PHE 23 HD1 PHE 23 2.387 14.841 -1.206 167 HD2 PHE 23 HD2 PHE 23 0.808 15.475 2.694 168 HE1 PHE 23 HE1 PHE 23 4.106 16.554 -0.793 169 HE2 PHE 23 HE2 PHE 23 2.522 17.190 3.114 170 HZ PHE 23 HZ PHE 23 4.174 17.732 1.368 171 H GLY 24 HN GLY 24 0.581 11.527 2.087 172 HA2 GLY 24 HA1 GLY 24 3.079 11.711 3.318 173 HA3 GLY 24 HA2 GLY 24 1.851 10.516 3.708 174 H ALA 25 HN ALA 25 1.940 9.486 0.901 175 HA ALA 25 HA ALA 25 3.655 7.336 1.274 176 HB1 ALA 25 HB1 ALA 25 3.352 6.868 -1.122 177 HB2 ALA 25 HB2 ALA 25 2.645 8.488 -1.334 178 HB3 ALA 25 HB3 ALA 25 1.818 7.281 -0.321 179 H ILE 26 HN ILE 26 4.310 10.517 0.043 180 HA ILE 26 HA ILE 26 6.852 9.809 -1.121 181 HB ILE 26 HB ILE 26 5.677 12.527 -0.529 182 HG12 ILE 26 1HG1 ILE 26 5.731 12.257 -3.246 183 HG13 ILE 26 2HG1 ILE 26 5.378 10.588 -2.734 184 HG21 ILE 26 1HG2 ILE 26 7.381 13.382 -2.082 185 HG22 ILE 26 2HG2 ILE 26 8.070 11.745 -2.206 186 HG23 ILE 26 3HG2 ILE 26 8.108 12.612 -0.652 187 HD11 ILE 26 3HD1 ILE 26 3.442 11.389 -1.458 188 HD12 ILE 26 1HD1 ILE 26 3.323 11.837 -3.177 189 HD13 ILE 26 2HD1 ILE 26 3.795 13.057 -1.970 190 H LEU 27 HN LEU 27 5.671 10.875 1.955 191 HA LEU 27 HA LEU 27 8.234 11.762 2.929 192 HB2 LEU 27 HB1 LEU 27 5.548 12.030 3.722 193 HB3 LEU 27 HB2 LEU 27 6.359 11.124 5.023 194 HG LEU 27 HG LEU 27 7.123 13.858 3.978 195 HD11 LEU 27 1HD1 LEU 27 6.501 14.608 6.224 196 HD12 LEU 27 2HD1 LEU 27 5.995 12.952 6.634 197 HD13 LEU 27 3HD1 LEU 27 5.124 13.863 5.378 198 HD21 LEU 27 3HD2 LEU 27 8.391 12.174 6.150 199 HD22 LEU 27 1HD2 LEU 27 8.807 13.860 5.759 200 HD23 LEU 27 2HD2 LEU 27 9.113 12.571 4.572 201 H SER 28 HN SER 28 6.204 8.889 3.260 202 HA SER 28 HA SER 28 8.133 7.601 5.004 203 HB2 SER 28 HB1 SER 28 5.403 6.908 3.960 204 HB3 SER 28 HB2 SER 28 6.446 5.618 4.607 205 HG SER 28 HG SER 28 5.775 8.011 6.000 206 H SER 29 HN SER 29 6.961 7.333 1.686 207 HA SER 29 HA SER 29 7.787 6.279 -0.152 208 HB2 SER 29 HB1 SER 29 10.460 5.739 0.987 209 HB3 SER 29 HB2 SER 29 10.006 6.585 -0.513 210 HG SER 29 HG SER 29 10.780 8.170 0.765 211 H THR 30 HN THR 30 6.467 4.696 1.770 212 HA THR 30 HA THR 30 7.904 2.285 2.285 213 HB THR 30 HB THR 30 5.985 2.976 3.670 214 HG1 THR 30 HG1 THR 30 6.067 0.880 3.990 215 HG21 THR 30 3HG2 THR 30 4.570 3.927 1.911 216 HG22 THR 30 1HG2 THR 30 3.692 2.681 2.830 217 HG23 THR 30 2HG2 THR 30 4.339 2.305 1.215 218 H ASN 31 HN ASN 31 5.873 3.441 -0.313 219 HA ASN 31 HA ASN 31 6.124 0.828 -1.648 220 HB2 ASN 31 HB1 ASN 31 3.816 1.334 -1.417 221 HB3 ASN 31 HB2 ASN 31 4.067 3.026 -1.910 222 HD21 ASN 31 1HD2 ASN 31 4.426 3.490 -4.097 223 HD22 ASN 31 2HD2 ASN 31 3.986 2.380 -5.346 224 H VAL 32 HN VAL 32 6.798 4.226 -1.854 225 HA VAL 32 HA VAL 32 7.650 4.058 -4.632 226 HB VAL 32 HB VAL 32 7.880 6.404 -2.743 227 HG11 VAL 32 1HG1 VAL 32 8.040 7.730 -4.806 228 HG12 VAL 32 2HG1 VAL 32 7.986 6.230 -5.762 229 HG13 VAL 32 3HG1 VAL 32 9.361 6.544 -4.676 230 HG21 VAL 32 3HG2 VAL 32 5.687 5.734 -4.719 231 HG22 VAL 32 1HG2 VAL 32 5.831 7.254 -3.806 232 HG23 VAL 32 2HG2 VAL 32 5.545 5.724 -2.945 233 H GLY 33 HN GLY 33 9.099 4.732 -1.451 234 HA2 GLY 33 HA1 GLY 33 11.769 4.826 -2.507 235 HA3 GLY 33 HA2 GLY 33 11.318 4.827 -0.809 236 H SER 34 HN SER 34 9.966 2.471 -0.542 237 HA SER 34 HA SER 34 11.979 0.609 -0.169 238 HB2 SER 34 HB1 SER 34 9.467 0.713 0.667 239 HB3 SER 34 HB2 SER 34 9.201 -0.367 -0.724 240 HG SER 34 HG SER 34 11.250 -0.869 1.166 241 H ASN 35 HN ASN 35 10.089 1.293 -3.007 242 HA ASN 35 HA ASN 35 10.342 -1.035 -4.469 243 HB2 ASN 35 HB1 ASN 35 9.420 1.517 -4.964 244 HB3 ASN 35 HB2 ASN 35 10.807 1.379 -6.071 245 HD21 ASN 35 1HD2 ASN 35 7.783 1.380 -6.391 246 HD22 ASN 35 2HD2 ASN 35 7.471 0.015 -7.402 247 H THR 36 HN THR 36 12.800 1.058 -3.404 248 HA THR 36 HA THR 36 14.757 -0.395 -5.048 249 HB THR 36 HB THR 36 16.018 1.992 -4.756 250 HG1 THR 36 HG1 THR 36 13.239 2.527 -5.098 251 HG21 THR 36 3HG2 THR 36 15.862 0.686 -6.822 252 HG22 THR 36 1HG2 THR 36 15.487 2.399 -7.122 253 HG23 THR 36 2HG2 THR 36 14.172 1.204 -7.025 254 H TYR 37 HN TYR 37 14.238 1.672 -2.212 255 HA TYR 37 HA TYR 37 16.462 0.261 -0.887 256 HB2 TYR 37 HB1 TYR 37 15.477 3.084 -0.401 257 HB3 TYR 37 HB2 TYR 37 16.781 2.271 0.498 258 HD1 TYR 37 HD2 TYR 37 15.816 3.458 -2.901 259 HD2 TYR 37 HD1 TYR 37 18.989 2.325 -0.305 260 HE1 TYR 37 HE2 TYR 37 17.449 4.247 -4.563 261 HE2 TYR 37 HE1 TYR 37 20.632 3.113 -1.958 262 HH TYR 37 HH TYR 37 20.308 3.441 -4.859 263 HN1 NH2 38 HN1 NH2 37 13.371 2.366 0.124 264 HN2 NH2 38 HN2 NH2 37 12.848 1.150 1.422 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 5.270 -9.828 1.802 2 H2 LYS 1 HT2 LYS 1 4.610 -10.883 0.576 3 H3 LYS 1 HT3 LYS 1 3.988 -10.943 2.207 4 HA LYS 1 HA LYS 1 3.167 -8.729 1.999 5 HB2 LYS 1 HB1 LYS 1 4.236 -8.917 -0.827 6 HB3 LYS 1 HB2 LYS 1 3.174 -7.623 -0.223 7 HG2 LYS 1 HG1 LYS 1 5.605 -8.063 1.380 8 HG3 LYS 1 HG2 LYS 1 5.901 -7.518 -0.289 9 HD2 LYS 1 HD1 LYS 1 4.402 -5.615 0.048 10 HD3 LYS 1 HD2 LYS 1 4.046 -6.172 1.701 11 HE2 LYS 1 HE1 LYS 1 6.116 -5.557 2.504 12 HE3 LYS 1 HE2 LYS 1 6.903 -5.729 0.916 13 HZ1 LYS 1 HZ1 LYS 1 5.362 -3.726 0.327 14 HZ2 LYS 1 HZ2 LYS 1 6.823 -3.469 1.139 15 HZ3 LYS 1 HZ3 LYS 1 5.367 -3.468 1.999 16 H CYS 2 HN CYS 2 1.137 -8.186 0.746 17 HA CYS 2 HA CYS 2 -0.091 -10.615 -0.376 18 HB2 CYS 2 HB1 CYS 2 -0.689 -9.790 2.096 19 HB3 CYS 2 HB2 CYS 2 -1.799 -8.742 1.181 20 H ASN 3 HN ASN 3 0.962 -8.852 -2.082 21 HA ASN 3 HA ASN 3 -1.144 -7.000 -2.906 22 HB2 ASN 3 HB1 ASN 3 0.514 -6.132 -4.506 23 HB3 ASN 3 HB2 ASN 3 1.135 -6.120 -2.838 24 HD21 ASN 3 1HD2 ASN 3 2.655 -7.731 -2.230 25 HD22 ASN 3 2HD2 ASN 3 3.647 -8.506 -3.413 26 H THR 4 HN THR 4 -1.371 -9.943 -3.148 27 HA THR 4 HA THR 4 -2.282 -9.996 -5.891 28 HB THR 4 HB THR 4 -0.390 -12.185 -5.056 29 HG1 THR 4 HG1 THR 4 1.146 -11.051 -6.424 30 HG21 THR 4 3HG2 THR 4 -1.956 -12.702 -6.869 31 HG22 THR 4 1HG2 THR 4 -0.287 -12.603 -7.478 32 HG23 THR 4 2HG2 THR 4 -1.415 -11.255 -7.752 33 H ALA 5 HN ALA 5 -3.747 -10.053 -3.558 34 HA ALA 5 HA ALA 5 -5.176 -12.524 -3.876 35 HB1 ALA 5 HB1 ALA 5 -5.047 -13.227 -1.520 36 HB2 ALA 5 HB2 ALA 5 -3.852 -11.944 -1.217 37 HB3 ALA 5 HB3 ALA 5 -3.461 -13.281 -2.325 38 H THR 6 HN THR 6 -6.788 -12.510 -1.694 39 HA THR 6 HA THR 6 -8.659 -10.535 -2.251 40 HB THR 6 HB THR 6 -9.308 -12.565 -1.103 41 HG1 THR 6 HG1 THR 6 -10.609 -10.732 -0.703 42 HG21 THR 6 3HG2 THR 6 -7.287 -12.912 0.236 43 HG22 THR 6 1HG2 THR 6 -8.743 -12.953 1.258 44 HG23 THR 6 2HG2 THR 6 -7.708 -11.506 1.242 45 H CYS 7 HN CYS 7 -5.880 -10.442 -0.187 46 HA CYS 7 HA CYS 7 -6.502 -8.456 1.621 47 HB2 CYS 7 HB1 CYS 7 -3.871 -8.796 0.162 48 HB3 CYS 7 HB2 CYS 7 -4.115 -7.942 1.704 49 H ALA 8 HN ALA 8 -5.828 -8.182 -1.793 50 HA ALA 8 HA ALA 8 -5.162 -5.566 -2.147 51 HB1 ALA 8 HB1 ALA 8 -6.332 -5.655 -4.311 52 HB2 ALA 8 HB2 ALA 8 -7.151 -7.147 -3.790 53 HB3 ALA 8 HB3 ALA 8 -5.384 -7.129 -3.999 54 H THR 9 HN THR 9 -8.369 -6.853 -1.424 55 HA THR 9 HA THR 9 -9.856 -4.514 -1.787 56 HB THR 9 HB THR 9 -10.663 -6.279 0.453 57 HG1 THR 9 HG1 THR 9 -10.872 -7.276 -2.186 58 HG21 THR 9 3HG2 THR 9 -12.166 -4.559 -0.435 59 HG22 THR 9 1HG2 THR 9 -12.826 -6.187 -0.717 60 HG23 THR 9 2HG2 THR 9 -12.057 -5.296 -2.052 61 H GLN 10 HN GLN 10 -8.245 -5.771 1.118 62 HA GLN 10 HA GLN 10 -9.066 -3.708 2.851 63 HB2 GLN 10 HB1 GLN 10 -7.451 -6.042 2.993 64 HB3 GLN 10 HB2 GLN 10 -6.486 -4.685 3.622 65 HG2 GLN 10 HG1 GLN 10 -9.299 -4.958 4.572 66 HG3 GLN 10 HG2 GLN 10 -8.098 -6.130 5.167 67 HE21 GLN 10 1HE2 GLN 10 -9.280 -2.919 5.345 68 HE22 GLN 10 2HE2 GLN 10 -8.182 -2.338 6.545 69 H ARG 11 HN ARG 11 -6.015 -4.171 1.071 70 HA ARG 11 HA ARG 11 -4.721 -1.855 1.888 71 HB2 ARG 11 HB1 ARG 11 -4.505 -3.724 -0.392 72 HB3 ARG 11 HB2 ARG 11 -3.816 -2.105 -0.662 73 HG2 ARG 11 HG1 ARG 11 -1.980 -2.750 0.405 74 HG3 ARG 11 HG2 ARG 11 -2.940 -2.936 1.892 75 HD2 ARG 11 HD1 ARG 11 -2.681 -5.082 -0.233 76 HD3 ARG 11 HD2 ARG 11 -1.636 -4.977 1.204 77 HE ARG 11 HE ARG 11 -4.388 -5.852 1.102 78 HH11 ARG 11 1HH1 ARG 11 -1.813 -4.631 3.101 79 HH12 ARG 11 2HH1 ARG 11 -2.478 -5.262 4.569 80 HH21 ARG 11 1HH2 ARG 11 -5.273 -6.689 3.030 81 HH22 ARG 11 2HH2 ARG 11 -4.447 -6.434 4.529 82 H LEU 12 HN LEU 12 -6.410 -2.287 -1.229 83 HA LEU 12 HA LEU 12 -6.366 0.300 -2.117 84 HB2 LEU 12 HB1 LEU 12 -7.582 -2.038 -2.907 85 HB3 LEU 12 HB2 LEU 12 -8.965 -0.975 -2.556 86 HG LEU 12 HG LEU 12 -8.128 0.660 -4.161 87 HD11 LEU 12 1HD1 LEU 12 -6.220 0.146 -5.608 88 HD12 LEU 12 2HD1 LEU 12 -5.909 -1.332 -4.667 89 HD13 LEU 12 3HD1 LEU 12 -5.732 0.264 -3.901 90 HD21 LEU 12 3HD2 LEU 12 -8.258 -2.143 -5.292 91 HD22 LEU 12 1HD2 LEU 12 -8.480 -0.635 -6.211 92 HD23 LEU 12 2HD2 LEU 12 -9.646 -1.084 -4.944 93 H ALA 13 HN ALA 13 -9.038 -1.155 -0.252 94 HA ALA 13 HA ALA 13 -10.616 1.065 0.090 95 HB1 ALA 13 HB1 ALA 13 -11.467 0.001 2.140 96 HB2 ALA 13 HB2 ALA 13 -10.096 -1.133 2.103 97 HB3 ALA 13 HB3 ALA 13 -11.306 -1.158 0.799 98 H ASN 14 HN ASN 14 -7.701 0.173 1.853 99 HA ASN 14 HA ASN 14 -7.922 2.163 3.863 100 HB2 ASN 14 HB1 ASN 14 -6.156 0.038 3.225 101 HB3 ASN 14 HB2 ASN 14 -5.173 1.519 3.332 102 HD21 ASN 14 1HD2 ASN 14 -6.879 -0.880 5.049 103 HD22 ASN 14 2HD2 ASN 14 -6.644 -0.248 6.638 104 H PHE 15 HN PHE 15 -6.402 2.067 0.687 105 HA PHE 15 HA PHE 15 -5.134 4.621 0.955 106 HB2 PHE 15 HB1 PHE 15 -4.034 3.289 -0.581 107 HB3 PHE 15 HB2 PHE 15 -5.551 2.655 -1.265 108 HD1 PHE 15 HD2 PHE 15 -3.585 5.820 -0.999 109 HD2 PHE 15 HD1 PHE 15 -6.312 3.483 -3.283 110 HE1 PHE 15 HE2 PHE 15 -3.438 7.451 -2.836 111 HE2 PHE 15 HE1 PHE 15 -6.169 5.110 -5.124 112 HZ PHE 15 HZ PHE 15 -4.733 7.098 -4.900 113 H LEU 16 HN LEU 16 -8.271 3.522 0.057 114 HA LEU 16 HA LEU 16 -9.002 5.889 -1.413 115 HB2 LEU 16 HB1 LEU 16 -10.331 3.374 -0.560 116 HB3 LEU 16 HB2 LEU 16 -11.378 4.785 -0.844 117 HG LEU 16 HG LEU 16 -10.348 4.942 -3.141 118 HD11 LEU 16 1HD1 LEU 16 -9.264 2.936 -4.034 119 HD12 LEU 16 2HD1 LEU 16 -9.292 2.204 -2.412 120 HD13 LEU 16 3HD1 LEU 16 -8.317 3.663 -2.714 121 HD21 LEU 16 3HD2 LEU 16 -11.847 2.407 -2.440 122 HD22 LEU 16 1HD2 LEU 16 -11.722 3.129 -4.061 123 HD23 LEU 16 2HD2 LEU 16 -12.571 4.000 -2.762 124 H VAL 17 HN VAL 17 -9.559 4.609 1.838 125 HA VAL 17 HA VAL 17 -11.183 6.843 2.639 126 HB VAL 17 HB VAL 17 -11.596 4.724 3.702 127 HG11 VAL 17 1HG1 VAL 17 -9.933 3.634 5.147 128 HG12 VAL 17 2HG1 VAL 17 -8.734 4.862 4.676 129 HG13 VAL 17 3HG1 VAL 17 -9.379 3.735 3.459 130 HG21 VAL 17 3HG2 VAL 17 -10.304 6.659 5.638 131 HG22 VAL 17 1HG2 VAL 17 -11.440 5.359 6.071 132 HG23 VAL 17 2HG2 VAL 17 -11.985 6.715 5.056 133 H HIS 18 HN HIS 18 -7.808 5.972 2.791 134 HA HIS 18 HA HIS 18 -7.237 8.344 4.426 135 HB2 HIS 18 HB1 HIS 18 -5.498 5.972 3.707 136 HB3 HIS 18 HB2 HIS 18 -4.968 7.363 4.683 137 HD1 HIS 18 HD1 HIS 18 -6.028 7.582 7.077 138 HD2 HIS 18 HD2 HIS 18 -6.998 4.077 5.070 139 HE1 HIS 18 HE1 HIS 18 -6.983 6.048 8.826 140 H SER 19 HN SER 19 -7.863 9.478 2.313 141 HA SER 19 HA SER 19 -6.355 9.428 0.006 142 HB2 SER 19 HB1 SER 19 -7.601 11.843 1.358 143 HB3 SER 19 HB2 SER 19 -7.057 11.784 -0.336 144 HG SER 19 HG SER 19 -8.571 9.968 -0.552 145 H SER 20 HN SER 20 -5.560 10.768 3.116 146 HA SER 20 HA SER 20 -3.523 12.535 2.442 147 HB2 SER 20 HB1 SER 20 -4.003 10.802 4.865 148 HB3 SER 20 HB2 SER 20 -2.565 11.845 4.750 149 HG SER 20 HG SER 20 -5.044 12.529 5.442 150 H ASN 21 HN ASN 21 -3.505 9.038 2.659 151 HA ASN 21 HA ASN 21 -0.808 8.483 2.748 152 HB2 ASN 21 HB1 ASN 21 -3.151 7.103 1.485 153 HB3 ASN 21 HB2 ASN 21 -1.509 6.481 1.191 154 HD21 ASN 21 1HD2 ASN 21 -0.991 4.896 2.499 155 HD22 ASN 21 2HD2 ASN 21 -1.481 4.715 4.146 156 H ASN 22 HN ASN 22 -2.706 9.702 0.088 157 HA ASN 22 HA ASN 22 -1.021 9.131 -2.055 158 HB2 ASN 22 HB1 ASN 22 -3.144 9.970 -2.606 159 HB3 ASN 22 HB2 ASN 22 -2.970 11.366 -1.515 160 HD21 ASN 22 1HD2 ASN 22 -1.650 13.101 -2.157 161 HD22 ASN 22 2HD2 ASN 22 -1.246 13.366 -3.814 162 H PHE 23 HN PHE 23 -0.964 11.823 0.238 163 HA PHE 23 HA PHE 23 1.358 12.995 -1.048 164 HB2 PHE 23 HB1 PHE 23 -0.733 13.990 0.516 165 HB3 PHE 23 HB2 PHE 23 0.705 14.096 1.560 166 HD1 PHE 23 HD1 PHE 23 2.848 14.744 -0.252 167 HD2 PHE 23 HD2 PHE 23 -1.184 16.108 -0.282 168 HE1 PHE 23 HE1 PHE 23 3.552 16.787 -1.427 169 HE2 PHE 23 HE2 PHE 23 -0.486 18.155 -1.457 170 HZ PHE 23 HZ PHE 23 1.884 18.496 -2.031 171 H GLY 24 HN GLY 24 0.558 11.538 2.099 172 HA2 GLY 24 HA1 GLY 24 3.091 11.708 3.260 173 HA3 GLY 24 HA2 GLY 24 1.879 10.500 3.662 174 H ALA 25 HN ALA 25 1.891 9.528 0.833 175 HA ALA 25 HA ALA 25 3.623 7.378 1.114 176 HB1 ALA 25 HB1 ALA 25 3.251 6.957 -1.283 177 HB2 ALA 25 HB2 ALA 25 2.531 8.577 -1.441 178 HB3 ALA 25 HB3 ALA 25 1.739 7.346 -0.428 179 H ILE 26 HN ILE 26 4.230 10.585 -0.073 180 HA ILE 26 HA ILE 26 6.738 9.910 -1.327 181 HB ILE 26 HB ILE 26 5.572 12.612 -0.646 182 HG12 ILE 26 1HG1 ILE 26 5.547 12.396 -3.366 183 HG13 ILE 26 2HG1 ILE 26 5.216 10.716 -2.880 184 HG21 ILE 26 1HG2 ILE 26 7.225 13.504 -2.232 185 HG22 ILE 26 2HG2 ILE 26 7.919 11.874 -2.407 186 HG23 ILE 26 3HG2 ILE 26 7.997 12.711 -0.839 187 HD11 ILE 26 3HD1 ILE 26 3.313 11.481 -1.533 188 HD12 ILE 26 1HD1 ILE 26 3.143 11.964 -3.237 189 HD13 ILE 26 2HD1 ILE 26 3.644 13.161 -2.019 190 H LEU 27 HN LEU 27 5.646 10.906 1.804 191 HA LEU 27 HA LEU 27 8.245 11.767 2.714 192 HB2 LEU 27 HB1 LEU 27 5.536 11.909 3.643 193 HB3 LEU 27 HB2 LEU 27 6.564 11.216 4.920 194 HG LEU 27 HG LEU 27 7.190 13.823 3.532 195 HD11 LEU 27 1HD1 LEU 27 6.254 14.943 5.501 196 HD12 LEU 27 2HD1 LEU 27 5.700 13.372 6.126 197 HD13 LEU 27 3HD1 LEU 27 5.013 14.022 4.618 198 HD21 LEU 27 3HD2 LEU 27 8.141 12.588 6.127 199 HD22 LEU 27 1HD2 LEU 27 8.603 14.189 5.502 200 HD23 LEU 27 2HD2 LEU 27 9.078 12.718 4.619 201 H SER 28 HN SER 28 6.186 8.919 3.062 202 HA SER 28 HA SER 28 8.133 7.588 4.752 203 HB2 SER 28 HB1 SER 28 6.532 5.837 4.991 204 HB3 SER 28 HB2 SER 28 5.616 7.363 5.032 205 HG SER 28 HG SER 28 4.765 5.642 3.628 206 H SER 29 HN SER 29 6.904 7.384 1.453 207 HA SER 29 HA SER 29 7.671 6.329 -0.409 208 HB2 SER 29 HB1 SER 29 10.368 5.726 0.574 209 HB3 SER 29 HB2 SER 29 9.856 6.716 -0.814 210 HG SER 29 HG SER 29 10.084 8.440 0.375 211 H THR 30 HN THR 30 6.604 4.780 1.881 212 HA THR 30 HA THR 30 8.007 2.337 2.128 213 HB THR 30 HB THR 30 6.336 2.985 3.775 214 HG1 THR 30 HG1 THR 30 6.502 0.823 3.811 215 HG21 THR 30 3HG2 THR 30 4.762 4.138 2.296 216 HG22 THR 30 1HG2 THR 30 3.933 2.892 3.259 217 HG23 THR 30 2HG2 THR 30 4.320 2.584 1.549 218 H ASN 31 HN ASN 31 5.848 3.589 -0.272 219 HA ASN 31 HA ASN 31 5.677 0.942 -1.544 220 HB2 ASN 31 HB1 ASN 31 4.037 3.375 -2.265 221 HB3 ASN 31 HB2 ASN 31 3.731 1.675 -2.697 222 HD21 ASN 31 1HD2 ASN 31 2.945 4.148 -0.608 223 HD22 ASN 31 2HD2 ASN 31 2.176 3.224 0.633 224 H VAL 32 HN VAL 32 6.865 4.178 -1.890 225 HA VAL 32 HA VAL 32 7.585 3.735 -4.691 226 HB VAL 32 HB VAL 32 7.979 6.210 -3.004 227 HG11 VAL 32 1HG1 VAL 32 8.307 7.344 -5.159 228 HG12 VAL 32 2HG1 VAL 32 8.165 5.778 -5.993 229 HG13 VAL 32 3HG1 VAL 32 9.526 6.077 -4.886 230 HG21 VAL 32 3HG2 VAL 32 5.804 5.545 -5.002 231 HG22 VAL 32 1HG2 VAL 32 6.038 7.121 -4.209 232 HG23 VAL 32 2HG2 VAL 32 5.606 5.693 -3.239 233 H GLY 33 HN GLY 33 9.313 5.241 -1.957 234 HA2 GLY 33 HA1 GLY 33 11.879 4.793 -2.923 235 HA3 GLY 33 HA2 GLY 33 11.476 5.013 -1.226 236 H SER 34 HN SER 34 9.730 2.607 -1.264 237 HA SER 34 HA SER 34 11.493 0.740 -0.245 238 HB2 SER 34 HB1 SER 34 9.255 0.369 0.310 239 HB3 SER 34 HB2 SER 34 8.714 0.528 -1.379 240 HG SER 34 HG SER 34 9.049 -1.534 -1.647 241 H ASN 35 HN ASN 35 10.387 1.174 -3.557 242 HA ASN 35 HA ASN 35 11.255 -1.176 -4.720 243 HB2 ASN 35 HB1 ASN 35 10.074 0.994 -5.697 244 HB3 ASN 35 HB2 ASN 35 11.740 1.387 -6.185 245 HD21 ASN 35 1HD2 ASN 35 10.625 1.220 -8.325 246 HD22 ASN 35 2HD2 ASN 35 10.601 -0.329 -9.092 247 H THR 36 HN THR 36 13.119 1.257 -3.250 248 HA THR 36 HA THR 36 15.574 0.231 -4.518 249 HB THR 36 HB THR 36 15.122 2.896 -3.161 250 HG1 THR 36 HG1 THR 36 14.242 2.831 -5.249 251 HG21 THR 36 3HG2 THR 36 17.395 2.069 -2.773 252 HG22 THR 36 1HG2 THR 36 17.402 3.443 -3.904 253 HG23 THR 36 2HG2 THR 36 17.592 1.784 -4.518 254 H TYR 37 HN TYR 37 14.296 1.446 -1.424 255 HA TYR 37 HA TYR 37 16.433 0.051 -0.002 256 HB2 TYR 37 HB1 TYR 37 14.409 2.137 0.772 257 HB3 TYR 37 HB2 TYR 37 15.275 1.201 2.014 258 HD1 TYR 37 HD1 TYR 37 15.982 3.233 -1.057 259 HD2 TYR 37 HD2 TYR 37 17.278 2.050 2.818 260 HE1 TYR 37 HE1 TYR 37 17.888 4.778 -1.230 261 HE2 TYR 37 HE2 TYR 37 19.185 3.594 2.657 262 HH TYR 37 HH TYR 37 19.577 5.749 -0.119 263 HN1 NH2 38 HN1 NH2 37 13.235 -0.834 -1.309 264 HN2 NH2 38 HN2 NH2 37 12.780 -2.064 0.001 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 4.460 -12.326 3.199 2 H2 LYS 1 HT2 LYS 1 3.427 -11.447 2.098 3 H3 LYS 1 HT3 LYS 1 3.590 -13.180 1.947 4 HA LYS 1 HA LYS 1 2.567 -13.486 4.061 5 HB2 LYS 1 HB1 LYS 1 3.133 -10.675 4.303 6 HB3 LYS 1 HB2 LYS 1 1.391 -10.959 4.539 7 HG2 LYS 1 HG1 LYS 1 2.118 -12.811 6.170 8 HG3 LYS 1 HG2 LYS 1 3.718 -12.033 6.120 9 HD2 LYS 1 HD1 LYS 1 3.033 -10.522 7.606 10 HD3 LYS 1 HD2 LYS 1 1.759 -9.991 6.481 11 HE2 LYS 1 HE1 LYS 1 0.737 -10.623 8.576 12 HE3 LYS 1 HE2 LYS 1 0.306 -11.827 7.339 13 HZ1 LYS 1 HZ1 LYS 1 2.043 -13.274 8.214 14 HZ2 LYS 1 HZ2 LYS 1 0.921 -12.884 9.417 15 HZ3 LYS 1 HZ3 LYS 1 2.435 -12.131 9.400 16 H CYS 2 HN CYS 2 1.451 -10.796 1.997 17 HA CYS 2 HA CYS 2 -0.565 -12.441 0.786 18 HB2 CYS 2 HB1 CYS 2 -1.451 -11.650 3.097 19 HB3 CYS 2 HB2 CYS 2 -1.613 -10.066 2.302 20 H ASN 3 HN ASN 3 1.139 -11.507 -0.769 21 HA ASN 3 HA ASN 3 0.966 -8.775 -1.519 22 HB2 ASN 3 HB1 ASN 3 1.876 -11.087 -3.250 23 HB3 ASN 3 HB2 ASN 3 2.311 -9.369 -3.424 24 HD21 ASN 3 1HD2 ASN 3 4.022 -8.607 -2.343 25 HD22 ASN 3 2HD2 ASN 3 4.967 -9.511 -1.214 26 H THR 4 HN THR 4 0.000 -11.614 -3.447 27 HA THR 4 HA THR 4 -2.149 -9.977 -4.614 28 HB THR 4 HB THR 4 -1.237 -12.566 -5.820 29 HG1 THR 4 HG1 THR 4 0.347 -11.390 -6.974 30 HG21 THR 4 3HG2 THR 4 -3.237 -11.477 -6.722 31 HG22 THR 4 1HG2 THR 4 -1.909 -11.447 -7.906 32 HG23 THR 4 2HG2 THR 4 -2.309 -9.980 -6.981 33 H ALA 5 HN ALA 5 -3.908 -10.321 -3.362 34 HA ALA 5 HA ALA 5 -5.313 -12.758 -3.582 35 HB1 ALA 5 HB1 ALA 5 -5.318 -13.460 -1.224 36 HB2 ALA 5 HB2 ALA 5 -4.095 -12.218 -0.868 37 HB3 ALA 5 HB3 ALA 5 -3.700 -13.571 -1.955 38 H THR 6 HN THR 6 -7.032 -12.689 -1.496 39 HA THR 6 HA THR 6 -8.817 -10.675 -2.134 40 HB THR 6 HB THR 6 -9.442 -12.733 -0.914 41 HG1 THR 6 HG1 THR 6 -10.873 -10.957 -0.861 42 HG21 THR 6 3HG2 THR 6 -7.574 -12.816 0.669 43 HG22 THR 6 1HG2 THR 6 -9.134 -12.843 1.524 44 HG23 THR 6 2HG2 THR 6 -8.179 -11.343 1.464 45 H CYS 7 HN CYS 7 -6.149 -10.637 0.101 46 HA CYS 7 HA CYS 7 -6.794 -8.558 1.790 47 HB2 CYS 7 HB1 CYS 7 -4.091 -9.088 0.532 48 HB3 CYS 7 HB2 CYS 7 -4.391 -8.147 2.013 49 H ALA 8 HN ALA 8 -5.873 -8.442 -1.575 50 HA ALA 8 HA ALA 8 -5.059 -5.869 -1.963 51 HB1 ALA 8 HB1 ALA 8 -6.062 -5.989 -4.207 52 HB2 ALA 8 HB2 ALA 8 -6.983 -7.426 -3.703 53 HB3 ALA 8 HB3 ALA 8 -5.205 -7.487 -3.773 54 H THR 9 HN THR 9 -8.374 -6.995 -1.482 55 HA THR 9 HA THR 9 -9.713 -4.600 -2.024 56 HB THR 9 HB THR 9 -10.804 -6.247 0.181 57 HG1 THR 9 HG1 THR 9 -10.572 -8.085 -0.827 58 HG21 THR 9 3HG2 THR 9 -12.135 -4.514 -0.926 59 HG22 THR 9 1HG2 THR 9 -12.833 -6.127 -1.206 60 HG23 THR 9 2HG2 THR 9 -11.898 -5.326 -2.491 61 H GLN 10 HN GLN 10 -8.374 -5.841 1.020 62 HA GLN 10 HA GLN 10 -9.256 -3.710 2.643 63 HB2 GLN 10 HB1 GLN 10 -7.727 -6.092 2.955 64 HB3 GLN 10 HB2 GLN 10 -6.792 -4.747 3.652 65 HG2 GLN 10 HG1 GLN 10 -8.105 -5.679 5.399 66 HG3 GLN 10 HG2 GLN 10 -8.839 -4.118 4.959 67 HE21 GLN 10 1HE2 GLN 10 -10.935 -4.351 5.319 68 HE22 GLN 10 2HE2 GLN 10 -11.930 -5.632 4.721 69 H ARG 11 HN ARG 11 -6.079 -4.334 1.154 70 HA ARG 11 HA ARG 11 -4.782 -2.033 2.008 71 HB2 ARG 11 HB1 ARG 11 -4.350 -4.106 0.039 72 HB3 ARG 11 HB2 ARG 11 -3.833 -2.523 -0.590 73 HG2 ARG 11 HG1 ARG 11 -2.135 -2.320 0.921 74 HG3 ARG 11 HG2 ARG 11 -2.981 -3.266 2.169 75 HD2 ARG 11 HD1 ARG 11 -1.817 -5.073 1.591 76 HD3 ARG 11 HD2 ARG 11 -2.495 -4.985 -0.053 77 HE ARG 11 HE ARG 11 -0.315 -3.173 0.307 78 HH11 ARG 11 1HH1 ARG 11 -1.117 -6.510 -0.277 79 HH12 ARG 11 2HH1 ARG 11 0.374 -6.861 -1.087 80 HH21 ARG 11 1HH2 ARG 11 1.652 -3.624 -0.757 81 HH22 ARG 11 2HH2 ARG 11 1.948 -5.220 -1.357 82 H LEU 12 HN LEU 12 -6.206 -2.521 -1.230 83 HA LEU 12 HA LEU 12 -5.988 0.033 -2.192 84 HB2 LEU 12 HB1 LEU 12 -7.214 -2.295 -3.012 85 HB3 LEU 12 HB2 LEU 12 -8.578 -1.165 -2.835 86 HG LEU 12 HG LEU 12 -7.520 0.372 -4.407 87 HD11 LEU 12 1HD1 LEU 12 -5.510 -0.278 -5.646 88 HD12 LEU 12 2HD1 LEU 12 -5.353 -1.727 -4.625 89 HD13 LEU 12 3HD1 LEU 12 -5.182 -0.108 -3.905 90 HD21 LEU 12 3HD2 LEU 12 -7.668 -2.467 -5.444 91 HD22 LEU 12 1HD2 LEU 12 -7.735 -0.990 -6.434 92 HD23 LEU 12 2HD2 LEU 12 -9.034 -1.340 -5.269 93 H ALA 13 HN ALA 13 -8.855 -1.275 -0.520 94 HA ALA 13 HA ALA 13 -10.387 1.002 -0.400 95 HB1 ALA 13 HB1 ALA 13 -11.448 0.040 1.602 96 HB2 ALA 13 HB2 ALA 13 -10.116 -1.134 1.727 97 HB3 ALA 13 HB3 ALA 13 -11.209 -1.172 0.322 98 H ASN 14 HN ASN 14 -7.662 0.099 1.635 99 HA ASN 14 HA ASN 14 -8.000 2.185 3.538 100 HB2 ASN 14 HB1 ASN 14 -6.251 -0.030 3.151 101 HB3 ASN 14 HB2 ASN 14 -5.247 1.427 3.345 102 HD21 ASN 14 1HD2 ASN 14 -5.504 -0.801 5.154 103 HD22 ASN 14 2HD2 ASN 14 -6.102 -0.171 6.648 104 H PHE 15 HN PHE 15 -6.214 1.877 0.521 105 HA PHE 15 HA PHE 15 -4.841 4.375 0.801 106 HB2 PHE 15 HB1 PHE 15 -3.685 2.908 -0.569 107 HB3 PHE 15 HB2 PHE 15 -5.168 2.345 -1.379 108 HD1 PHE 15 HD2 PHE 15 -2.966 5.337 -1.042 109 HD2 PHE 15 HD1 PHE 15 -5.741 3.197 -3.458 110 HE1 PHE 15 HE2 PHE 15 -2.536 6.888 -2.902 111 HE2 PHE 15 HE1 PHE 15 -5.315 4.746 -5.323 112 HZ PHE 15 HZ PHE 15 -3.713 6.595 -5.046 113 H LEU 16 HN LEU 16 -7.944 3.395 -0.305 114 HA LEU 16 HA LEU 16 -8.413 5.747 -1.915 115 HB2 LEU 16 HB1 LEU 16 -9.932 3.304 -1.168 116 HB3 LEU 16 HB2 LEU 16 -10.872 4.747 -1.616 117 HG LEU 16 HG LEU 16 -9.521 4.780 -3.767 118 HD11 LEU 16 1HD1 LEU 16 -8.511 2.660 -4.465 119 HD12 LEU 16 2HD1 LEU 16 -8.814 1.988 -2.845 120 HD13 LEU 16 3HD1 LEU 16 -7.683 3.347 -3.047 121 HD21 LEU 16 3HD2 LEU 16 -11.317 2.408 -3.215 122 HD22 LEU 16 1HD2 LEU 16 -10.918 3.062 -4.821 123 HD23 LEU 16 2HD2 LEU 16 -11.847 4.046 -3.665 124 H VAL 17 HN VAL 17 -9.316 4.558 1.285 125 HA VAL 17 HA VAL 17 -10.970 6.832 1.879 126 HB VAL 17 HB VAL 17 -11.497 4.735 2.946 127 HG11 VAL 17 1HG1 VAL 17 -9.992 3.691 4.588 128 HG12 VAL 17 2HG1 VAL 17 -8.748 4.904 4.202 129 HG13 VAL 17 3HG1 VAL 17 -9.270 3.740 2.961 130 HG21 VAL 17 3HG2 VAL 17 -10.403 6.729 4.944 131 HG22 VAL 17 1HG2 VAL 17 -11.582 5.444 5.300 132 HG23 VAL 17 2HG2 VAL 17 -12.016 6.768 4.193 133 H HIS 18 HN HIS 18 -7.639 5.916 2.377 134 HA HIS 18 HA HIS 18 -7.179 8.300 4.021 135 HB2 HIS 18 HB1 HIS 18 -5.425 5.906 3.434 136 HB3 HIS 18 HB2 HIS 18 -4.918 7.308 4.406 137 HD1 HIS 18 HD1 HIS 18 -6.044 7.579 6.751 138 HD2 HIS 18 HD2 HIS 18 -7.078 4.091 4.745 139 HE1 HIS 18 HE1 HIS 18 -7.127 6.107 8.478 140 H SER 19 HN SER 19 -7.680 9.373 1.807 141 HA SER 19 HA SER 19 -5.976 9.340 -0.352 142 HB2 SER 19 HB1 SER 19 -7.754 11.406 0.866 143 HB3 SER 19 HB2 SER 19 -6.589 11.944 -0.367 144 HG SER 19 HG SER 19 -8.056 11.252 -1.714 145 H SER 20 HN SER 20 -5.508 10.811 2.781 146 HA SER 20 HA SER 20 -3.445 12.583 2.259 147 HB2 SER 20 HB1 SER 20 -4.726 11.860 4.499 148 HB3 SER 20 HB2 SER 20 -3.230 10.922 4.728 149 HG SER 20 HG SER 20 -2.993 13.604 3.955 150 H ASN 21 HN ASN 21 -3.301 9.094 2.816 151 HA ASN 21 HA ASN 21 -0.582 8.704 3.001 152 HB2 ASN 21 HB1 ASN 21 -2.817 7.049 1.870 153 HB3 ASN 21 HB2 ASN 21 -1.135 6.488 1.702 154 HD21 ASN 21 1HD2 ASN 21 0.109 6.820 3.893 155 HD22 ASN 21 2HD2 ASN 21 -0.693 6.159 5.273 156 H ASN 22 HN ASN 22 -2.495 9.454 0.178 157 HA ASN 22 HA ASN 22 -0.795 8.722 -1.873 158 HB2 ASN 22 HB1 ASN 22 -3.053 9.578 -2.260 159 HB3 ASN 22 HB2 ASN 22 -2.549 11.189 -1.695 160 HD21 ASN 22 1HD2 ASN 22 -0.875 8.889 -3.808 161 HD22 ASN 22 2HD2 ASN 22 -0.791 9.939 -5.178 162 H PHE 23 HN PHE 23 -0.764 11.676 0.080 163 HA PHE 23 HA PHE 23 1.586 12.669 -1.301 164 HB2 PHE 23 HB1 PHE 23 -0.516 13.912 -0.057 165 HB3 PHE 23 HB2 PHE 23 0.763 14.029 1.175 166 HD1 PHE 23 HD1 PHE 23 3.172 14.405 -0.380 167 HD2 PHE 23 HD2 PHE 23 -0.720 16.002 -1.024 168 HE1 PHE 23 HE1 PHE 23 4.159 16.314 -1.579 169 HE2 PHE 23 HE2 PHE 23 0.260 17.913 -2.224 170 HZ PHE 23 HZ PHE 23 2.701 18.070 -2.504 171 H GLY 24 HN GLY 24 0.720 11.553 1.959 172 HA2 GLY 24 HA1 GLY 24 3.192 11.905 3.193 173 HA3 GLY 24 HA2 GLY 24 2.008 10.689 3.651 174 H ALA 25 HN ALA 25 2.201 9.517 0.882 175 HA ALA 25 HA ALA 25 3.960 7.440 1.419 176 HB1 ALA 25 HB1 ALA 25 3.753 6.850 -0.963 177 HB2 ALA 25 HB2 ALA 25 3.009 8.436 -1.276 178 HB3 ALA 25 HB3 ALA 25 2.182 7.255 -0.232 179 H ILE 26 HN ILE 26 4.562 10.566 0.010 180 HA ILE 26 HA ILE 26 7.172 9.871 -1.000 181 HB ILE 26 HB ILE 26 5.895 12.585 -0.637 182 HG12 ILE 26 1HG1 ILE 26 6.043 12.137 -3.324 183 HG13 ILE 26 2HG1 ILE 26 5.730 10.493 -2.716 184 HG21 ILE 26 1HG2 ILE 26 7.626 13.382 -2.191 185 HG22 ILE 26 2HG2 ILE 26 8.363 11.762 -2.179 186 HG23 ILE 26 3HG2 ILE 26 8.325 12.734 -0.688 187 HD11 ILE 26 3HD1 ILE 26 3.728 11.305 -1.554 188 HD12 ILE 26 1HD1 ILE 26 3.650 11.638 -3.301 189 HD13 ILE 26 2HD1 ILE 26 4.041 12.948 -2.162 190 H LEU 27 HN LEU 27 5.831 11.067 1.955 191 HA LEU 27 HA LEU 27 8.313 12.126 2.967 192 HB2 LEU 27 HB1 LEU 27 5.605 12.360 3.626 193 HB3 LEU 27 HB2 LEU 27 6.349 11.510 5.002 194 HG LEU 27 HG LEU 27 7.216 14.193 3.904 195 HD11 LEU 27 1HD1 LEU 27 6.322 15.089 6.000 196 HD12 LEU 27 2HD1 LEU 27 5.733 13.468 6.438 197 HD13 LEU 27 3HD1 LEU 27 5.054 14.310 5.025 198 HD21 LEU 27 3HD2 LEU 27 8.155 12.633 6.321 199 HD22 LEU 27 1HD2 LEU 27 8.651 14.287 5.889 200 HD23 LEU 27 2HD2 LEU 27 9.084 12.923 4.831 201 H SER 28 HN SER 28 6.397 9.188 3.393 202 HA SER 28 HA SER 28 8.306 8.093 5.283 203 HB2 SER 28 HB1 SER 28 5.562 7.599 4.588 204 HB3 SER 28 HB2 SER 28 6.486 6.086 4.428 205 HG SER 28 HG SER 28 5.685 6.425 6.568 206 H SER 29 HN SER 29 7.287 7.583 1.944 207 HA SER 29 HA SER 29 8.183 6.387 0.226 208 HB2 SER 29 HB1 SER 29 10.740 6.817 1.804 209 HB3 SER 29 HB2 SER 29 10.650 6.311 0.100 210 HG SER 29 HG SER 29 10.693 8.766 1.008 211 H THR 30 HN THR 30 7.144 4.922 2.501 212 HA THR 30 HA THR 30 8.894 2.626 2.815 213 HB THR 30 HB THR 30 7.528 3.467 4.721 214 HG1 THR 30 HG1 THR 30 8.226 1.266 4.637 215 HG21 THR 30 3HG2 THR 30 5.507 4.089 3.483 216 HG22 THR 30 1HG2 THR 30 5.127 2.937 4.786 217 HG23 THR 30 2HG2 THR 30 5.213 2.376 3.099 218 H ASN 31 HN ASN 31 6.108 3.575 0.965 219 HA ASN 31 HA ASN 31 5.854 0.835 -0.079 220 HB2 ASN 31 HB1 ASN 31 3.816 1.888 0.940 221 HB3 ASN 31 HB2 ASN 31 3.873 3.109 -0.354 222 HD21 ASN 31 1HD2 ASN 31 3.477 2.455 -2.495 223 HD22 ASN 31 2HD2 ASN 31 2.622 0.996 -2.852 224 H VAL 32 HN VAL 32 6.516 4.149 -0.903 225 HA VAL 32 HA VAL 32 6.520 3.575 -3.764 226 HB VAL 32 HB VAL 32 7.123 6.149 -2.300 227 HG11 VAL 32 1HG1 VAL 32 6.914 7.215 -4.504 228 HG12 VAL 32 2HG1 VAL 32 6.727 5.610 -5.250 229 HG13 VAL 32 3HG1 VAL 32 8.258 6.050 -4.456 230 HG21 VAL 32 3HG2 VAL 32 4.644 5.251 -3.785 231 HG22 VAL 32 1HG2 VAL 32 4.912 6.871 -3.097 232 HG23 VAL 32 2HG2 VAL 32 4.800 5.456 -2.024 233 H GLY 33 HN GLY 33 8.814 5.115 -1.496 234 HA2 GLY 33 HA1 GLY 33 11.052 4.824 -3.190 235 HA3 GLY 33 HA2 GLY 33 11.110 5.139 -1.461 236 H SER 34 HN SER 34 10.119 2.948 -0.306 237 HA SER 34 HA SER 34 12.203 1.137 -0.303 238 HB2 SER 34 HB1 SER 34 9.776 1.441 1.074 239 HB3 SER 34 HB2 SER 34 9.706 -0.190 0.364 240 HG SER 34 HG SER 34 11.920 0.802 1.853 241 H ASN 35 HN ASN 35 9.393 1.263 -2.364 242 HA ASN 35 HA ASN 35 9.273 -1.313 -3.348 243 HB2 ASN 35 HB1 ASN 35 7.795 0.748 -3.869 244 HB3 ASN 35 HB2 ASN 35 8.973 1.071 -5.165 245 HD21 ASN 35 1HD2 ASN 35 6.758 -1.371 -3.892 246 HD22 ASN 35 2HD2 ASN 35 6.433 -2.130 -5.409 247 H THR 36 HN THR 36 11.799 0.941 -3.658 248 HA THR 36 HA THR 36 13.143 -0.822 -5.587 249 HB THR 36 HB THR 36 14.196 1.719 -6.081 250 HG1 THR 36 HG1 THR 36 12.117 2.750 -6.764 251 HG21 THR 36 3HG2 THR 36 13.919 -0.079 -7.722 252 HG22 THR 36 1HG2 THR 36 13.189 1.435 -8.307 253 HG23 THR 36 2HG2 THR 36 12.153 0.137 -7.666 254 H TYR 37 HN TYR 37 13.634 1.923 -3.367 255 HA TYR 37 HA TYR 37 16.240 0.761 -2.644 256 HB2 TYR 37 HB1 TYR 37 15.255 3.615 -2.404 257 HB3 TYR 37 HB2 TYR 37 16.841 3.030 -1.847 258 HD1 TYR 37 HD1 TYR 37 14.759 3.702 -4.829 259 HD2 TYR 37 HD2 TYR 37 18.627 2.654 -3.402 260 HE1 TYR 37 HE1 TYR 37 15.693 4.122 -7.067 261 HE2 TYR 37 HE2 TYR 37 19.572 3.073 -5.635 262 HH TYR 37 HH TYR 37 18.670 4.702 -7.738 263 HN1 NH2 38 HN1 NH2 37 13.923 3.245 -0.821 264 HN2 NH2 38 HN2 NH2 37 13.858 2.214 0.718 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 -3.386 -11.710 9.806 2 H2 LYS 1 HT2 LYS 1 -4.580 -11.650 8.532 3 H3 LYS 1 HT3 LYS 1 -3.720 -10.201 8.991 4 HA LYS 1 HA LYS 1 -1.679 -11.145 8.243 5 HB2 LYS 1 HB1 LYS 1 -3.366 -13.557 8.072 6 HB3 LYS 1 HB2 LYS 1 -2.288 -13.301 6.678 7 HG2 LYS 1 HG1 LYS 1 -1.118 -14.679 8.216 8 HG3 LYS 1 HG2 LYS 1 -0.394 -13.056 8.323 9 HD2 LYS 1 HD1 LYS 1 -1.368 -12.620 10.400 10 HD3 LYS 1 HD2 LYS 1 -2.610 -13.878 10.190 11 HE2 LYS 1 HE1 LYS 1 -1.162 -15.595 10.743 12 HE3 LYS 1 HE2 LYS 1 0.284 -14.669 10.274 13 HZ1 LYS 1 HZ1 LYS 1 -1.179 -14.692 12.796 14 HZ2 LYS 1 HZ2 LYS 1 -0.598 -13.186 12.290 15 HZ3 LYS 1 HZ3 LYS 1 0.474 -14.479 12.501 16 H CYS 2 HN CYS 2 -1.243 -11.642 5.755 17 HA CYS 2 HA CYS 2 -3.313 -10.611 4.013 18 HB2 CYS 2 HB1 CYS 2 -2.152 -8.609 5.053 19 HB3 CYS 2 HB2 CYS 2 -0.689 -9.124 4.179 20 H ASN 3 HN ASN 3 -2.950 -12.803 3.236 21 HA ASN 3 HA ASN 3 -0.556 -12.999 1.526 22 HB2 ASN 3 HB1 ASN 3 -1.353 -14.743 3.536 23 HB3 ASN 3 HB2 ASN 3 -1.917 -15.530 2.042 24 HD21 ASN 3 1HD2 ASN 3 0.309 -16.091 3.998 25 HD22 ASN 3 2HD2 ASN 3 1.713 -16.278 3.011 26 H THR 4 HN THR 4 -3.902 -14.209 1.779 27 HA THR 4 HA THR 4 -4.207 -14.964 -0.887 28 HB THR 4 HB THR 4 -6.593 -13.830 0.466 29 HG1 THR 4 HG1 THR 4 -6.600 -15.769 1.838 30 HG21 THR 4 3HG2 THR 4 -6.789 -15.109 -1.613 31 HG22 THR 4 1HG2 THR 4 -7.584 -15.958 -0.266 32 HG23 THR 4 2HG2 THR 4 -5.987 -16.497 -0.838 33 H ALA 5 HN ALA 5 -5.182 -13.954 -2.671 34 HA ALA 5 HA ALA 5 -4.425 -11.313 -3.169 35 HB1 ALA 5 HB1 ALA 5 -5.800 -11.475 -5.202 36 HB2 ALA 5 HB2 ALA 5 -6.526 -12.973 -4.575 37 HB3 ALA 5 HB3 ALA 5 -4.789 -12.919 -4.959 38 H THR 6 HN THR 6 -7.288 -12.612 -1.708 39 HA THR 6 HA THR 6 -9.152 -10.618 -2.123 40 HB THR 6 HB THR 6 -8.750 -12.075 0.495 41 HG1 THR 6 HG1 THR 6 -10.437 -13.466 -0.623 42 HG21 THR 6 3HG2 THR 6 -10.359 -10.231 0.611 43 HG22 THR 6 1HG2 THR 6 -11.183 -11.804 0.729 44 HG23 THR 6 2HG2 THR 6 -11.222 -10.892 -0.798 45 H CYS 7 HN CYS 7 -6.361 -10.626 -0.019 46 HA CYS 7 HA CYS 7 -6.933 -8.573 1.726 47 HB2 CYS 7 HB1 CYS 7 -4.797 -10.086 1.387 48 HB3 CYS 7 HB2 CYS 7 -4.219 -8.673 0.470 49 H ALA 8 HN ALA 8 -6.135 -8.406 -1.668 50 HA ALA 8 HA ALA 8 -5.319 -5.833 -2.043 51 HB1 ALA 8 HB1 ALA 8 -6.405 -5.910 -4.251 52 HB2 ALA 8 HB2 ALA 8 -7.318 -7.348 -3.735 53 HB3 ALA 8 HB3 ALA 8 -5.545 -7.422 -3.873 54 H THR 9 HN THR 9 -8.621 -6.947 -1.454 55 HA THR 9 HA THR 9 -9.964 -4.537 -1.908 56 HB THR 9 HB THR 9 -10.982 -6.213 0.308 57 HG1 THR 9 HG1 THR 9 -11.481 -7.927 -1.115 58 HG21 THR 9 3HG2 THR 9 -12.343 -4.454 -0.719 59 HG22 THR 9 1HG2 THR 9 -13.061 -6.058 -0.997 60 HG23 THR 9 2HG2 THR 9 -12.170 -5.243 -2.304 61 H GLN 10 HN GLN 10 -8.520 -5.834 1.063 62 HA GLN 10 HA GLN 10 -9.327 -3.725 2.751 63 HB2 GLN 10 HB1 GLN 10 -7.807 -6.121 2.971 64 HB3 GLN 10 HB2 GLN 10 -6.835 -4.794 3.651 65 HG2 GLN 10 HG1 GLN 10 -9.515 -4.523 4.590 66 HG3 GLN 10 HG2 GLN 10 -9.001 -6.210 4.831 67 HE21 GLN 10 1HE2 GLN 10 -7.860 -2.878 5.289 68 HE22 GLN 10 2HE2 GLN 10 -7.037 -3.181 6.778 69 H ARG 11 HN ARG 11 -6.215 -4.343 1.134 70 HA ARG 11 HA ARG 11 -4.871 -2.065 1.977 71 HB2 ARG 11 HB1 ARG 11 -4.516 -4.115 -0.023 72 HB3 ARG 11 HB2 ARG 11 -4.039 -2.529 -0.675 73 HG2 ARG 11 HG1 ARG 11 -2.329 -2.262 0.861 74 HG3 ARG 11 HG2 ARG 11 -3.054 -3.399 2.024 75 HD2 ARG 11 HD1 ARG 11 -1.797 -5.044 1.204 76 HD3 ARG 11 HD2 ARG 11 -2.545 -4.822 -0.395 77 HE ARG 11 HE ARG 11 -0.557 -2.870 -0.049 78 HH11 ARG 11 1HH1 ARG 11 -0.873 -6.315 -0.439 79 HH12 ARG 11 2HH1 ARG 11 0.670 -6.503 -1.203 80 HH21 ARG 11 1HH2 ARG 11 1.478 -3.104 -1.054 81 HH22 ARG 11 2HH2 ARG 11 2.007 -4.676 -1.551 82 H LEU 12 HN LEU 12 -6.417 -2.489 -1.214 83 HA LEU 12 HA LEU 12 -6.221 0.079 -2.142 84 HB2 LEU 12 HB1 LEU 12 -7.492 -2.227 -2.952 85 HB3 LEU 12 HB2 LEU 12 -8.841 -1.092 -2.705 86 HG LEU 12 HG LEU 12 -7.832 0.464 -4.291 87 HD11 LEU 12 1HD1 LEU 12 -5.873 -0.176 -5.615 88 HD12 LEU 12 2HD1 LEU 12 -5.688 -1.643 -4.625 89 HD13 LEU 12 3HD1 LEU 12 -5.480 -0.039 -3.884 90 HD21 LEU 12 3HD2 LEU 12 -8.035 -2.357 -5.370 91 HD22 LEU 12 1HD2 LEU 12 -8.131 -0.862 -6.332 92 HD23 LEU 12 2HD2 LEU 12 -9.387 -1.226 -5.125 93 H ALA 13 HN ALA 13 -9.031 -1.242 -0.383 94 HA ALA 13 HA ALA 13 -10.544 1.043 -0.169 95 HB1 ALA 13 HB1 ALA 13 -11.534 0.054 1.856 96 HB2 ALA 13 HB2 ALA 13 -10.206 -1.129 1.911 97 HB3 ALA 13 HB3 ALA 13 -11.350 -1.139 0.548 98 H ASN 14 HN ASN 14 -7.748 0.090 1.748 99 HA ASN 14 HA ASN 14 -8.003 2.148 3.694 100 HB2 ASN 14 HB1 ASN 14 -6.550 -0.105 3.594 101 HB3 ASN 14 HB2 ASN 14 -5.309 1.051 3.053 102 HD21 ASN 14 1HD2 ASN 14 -4.324 2.293 4.525 103 HD22 ASN 14 2HD2 ASN 14 -4.720 2.347 6.207 104 H PHE 15 HN PHE 15 -6.334 1.878 0.609 105 HA PHE 15 HA PHE 15 -4.935 4.363 0.877 106 HB2 PHE 15 HB1 PHE 15 -3.841 2.912 -0.560 107 HB3 PHE 15 HB2 PHE 15 -5.357 2.372 -1.322 108 HD1 PHE 15 HD1 PHE 15 -3.124 5.343 -1.017 109 HD2 PHE 15 HD2 PHE 15 -6.002 3.265 -3.365 110 HE1 PHE 15 HE1 PHE 15 -2.754 6.925 -2.866 111 HE2 PHE 15 HE2 PHE 15 -5.636 4.842 -5.217 112 HZ PHE 15 HZ PHE 15 -4.009 6.675 -4.970 113 H LEU 16 HN LEU 16 -8.083 3.420 -0.127 114 HA LEU 16 HA LEU 16 -8.596 5.802 -1.678 115 HB2 LEU 16 HB1 LEU 16 -10.100 3.353 -0.921 116 HB3 LEU 16 HB2 LEU 16 -11.050 4.810 -1.302 117 HG LEU 16 HG LEU 16 -9.773 4.878 -3.502 118 HD11 LEU 16 1HD1 LEU 16 -8.826 2.757 -4.280 119 HD12 LEU 16 2HD1 LEU 16 -9.081 2.056 -2.665 120 HD13 LEU 16 3HD1 LEU 16 -7.935 3.400 -2.880 121 HD21 LEU 16 3HD2 LEU 16 -11.587 2.523 -2.936 122 HD22 LEU 16 1HD2 LEU 16 -11.236 3.207 -4.541 123 HD23 LEU 16 2HD2 LEU 16 -12.107 4.179 -3.331 124 H VAL 17 HN VAL 17 -9.385 4.564 1.532 125 HA VAL 17 HA VAL 17 -11.004 6.837 2.227 126 HB VAL 17 HB VAL 17 -11.502 4.723 3.277 127 HG11 VAL 17 1HG1 VAL 17 -9.945 3.645 4.843 128 HG12 VAL 17 2HG1 VAL 17 -8.710 4.858 4.434 129 HG13 VAL 17 3HG1 VAL 17 -9.282 3.718 3.193 130 HG21 VAL 17 3HG2 VAL 17 -10.325 6.678 5.265 131 HG22 VAL 17 1HG2 VAL 17 -11.496 5.393 5.644 132 HG23 VAL 17 2HG2 VAL 17 -11.964 6.737 4.576 133 H HIS 18 HN HIS 18 -7.660 5.893 2.584 134 HA HIS 18 HA HIS 18 -7.126 8.247 4.250 135 HB2 HIS 18 HB1 HIS 18 -5.411 5.853 3.555 136 HB3 HIS 18 HB2 HIS 18 -4.858 7.236 4.530 137 HD1 HIS 18 HD1 HIS 18 -5.892 7.474 6.921 138 HD2 HIS 18 HD2 HIS 18 -7.023 4.026 4.898 139 HE1 HIS 18 HE1 HIS 18 -6.919 5.979 8.663 140 H SER 19 HN SER 19 -7.706 9.356 2.070 141 HA SER 19 HA SER 19 -6.080 9.352 -0.150 142 HB2 SER 19 HB1 SER 19 -6.714 11.853 -0.309 143 HB3 SER 19 HB2 SER 19 -8.032 10.655 -0.305 144 HG SER 19 HG SER 19 -8.626 12.144 1.188 145 H SER 20 HN SER 20 -5.493 10.773 2.986 146 HA SER 20 HA SER 20 -3.444 12.544 2.417 147 HB2 SER 20 HB1 SER 20 -3.453 10.746 4.849 148 HB3 SER 20 HB2 SER 20 -2.817 12.403 4.710 149 HG SER 20 HG SER 20 -5.051 11.948 5.685 150 H ASN 21 HN ASN 21 -3.294 9.047 2.917 151 HA ASN 21 HA ASN 21 -0.573 8.645 2.999 152 HB2 ASN 21 HB1 ASN 21 -2.853 7.015 1.924 153 HB3 ASN 21 HB2 ASN 21 -1.181 6.451 1.691 154 HD21 ASN 21 1HD2 ASN 21 0.136 6.776 3.852 155 HD22 ASN 21 2HD2 ASN 21 -0.619 6.087 5.245 156 H ASN 22 HN ASN 22 -2.583 9.446 0.257 157 HA ASN 22 HA ASN 22 -0.959 8.737 -1.864 158 HB2 ASN 22 HB1 ASN 22 -3.228 9.606 -2.156 159 HB3 ASN 22 HB2 ASN 22 -2.696 11.207 -1.586 160 HD21 ASN 22 1HD2 ASN 22 -1.108 8.932 -3.791 161 HD22 ASN 22 2HD2 ASN 22 -1.069 10.000 -5.149 162 H PHE 23 HN PHE 23 -0.847 11.662 0.129 163 HA PHE 23 HA PHE 23 1.457 12.668 -1.320 164 HB2 PHE 23 HB1 PHE 23 -0.600 13.831 0.194 165 HB3 PHE 23 HB2 PHE 23 0.886 14.078 1.141 166 HD1 PHE 23 HD2 PHE 23 2.953 14.614 -0.690 167 HD2 PHE 23 HD1 PHE 23 -1.146 15.716 -0.995 168 HE1 PHE 23 HE2 PHE 23 3.571 16.499 -2.147 169 HE2 PHE 23 HE1 PHE 23 -0.535 17.601 -2.454 170 HZ PHE 23 HZ PHE 23 1.827 17.995 -3.030 171 H GLY 24 HN GLY 24 0.703 11.507 1.952 172 HA2 GLY 24 HA1 GLY 24 3.219 11.831 3.102 173 HA3 GLY 24 HA2 GLY 24 2.046 10.614 3.585 174 H ALA 25 HN ALA 25 2.134 9.478 0.797 175 HA ALA 25 HA ALA 25 3.905 7.389 1.240 176 HB1 ALA 25 HB1 ALA 25 3.610 6.831 -1.139 177 HB2 ALA 25 HB2 ALA 25 2.859 8.423 -1.404 178 HB3 ALA 25 HB3 ALA 25 2.067 7.231 -0.346 179 H ILE 26 HN ILE 26 4.463 10.533 -0.151 180 HA ILE 26 HA ILE 26 7.031 9.845 -1.267 181 HB ILE 26 HB ILE 26 5.777 12.556 -0.819 182 HG12 ILE 26 1HG1 ILE 26 5.822 12.144 -3.516 183 HG13 ILE 26 2HG1 ILE 26 5.528 10.493 -2.918 184 HG21 ILE 26 1HG2 ILE 26 7.451 13.370 -2.425 185 HG22 ILE 26 2HG2 ILE 26 8.183 11.749 -2.463 186 HG23 ILE 26 3HG2 ILE 26 8.204 12.700 -0.959 187 HD11 ILE 26 3HD1 ILE 26 3.574 11.293 -1.670 188 HD12 ILE 26 1HD1 ILE 26 3.430 11.650 -3.408 189 HD13 ILE 26 2HD1 ILE 26 3.868 12.944 -2.267 190 H LEU 27 HN LEU 27 5.807 11.003 1.752 191 HA LEU 27 HA LEU 27 8.354 12.007 2.678 192 HB2 LEU 27 HB1 LEU 27 5.614 11.713 3.848 193 HB3 LEU 27 HB2 LEU 27 7.006 11.967 4.929 194 HG LEU 27 HG LEU 27 6.637 13.862 2.658 195 HD11 LEU 27 1HD1 LEU 27 5.079 15.222 3.968 196 HD12 LEU 27 2HD1 LEU 27 4.978 13.928 5.185 197 HD13 LEU 27 3HD1 LEU 27 4.369 13.649 3.536 198 HD21 LEU 27 3HD2 LEU 27 7.504 14.157 5.540 199 HD22 LEU 27 1HD2 LEU 27 7.511 15.444 4.311 200 HD23 LEU 27 2HD2 LEU 27 8.579 14.031 4.127 201 H SER 28 HN SER 28 6.337 9.152 3.190 202 HA SER 28 HA SER 28 8.264 7.994 5.024 203 HB2 SER 28 HB1 SER 28 5.957 7.592 5.553 204 HB3 SER 28 HB2 SER 28 5.631 6.996 3.907 205 HG SER 28 HG SER 28 6.045 5.418 5.745 206 H SER 29 HN SER 29 7.150 7.546 1.714 207 HA SER 29 HA SER 29 7.978 6.359 -0.041 208 HB2 SER 29 HB1 SER 29 10.201 7.460 1.330 209 HB3 SER 29 HB2 SER 29 10.647 5.795 0.886 210 HG SER 29 HG SER 29 11.053 7.481 -0.742 211 H THR 30 HN THR 30 6.863 4.967 2.327 212 HA THR 30 HA THR 30 8.309 2.540 2.707 213 HB THR 30 HB THR 30 6.700 3.375 4.378 214 HG1 THR 30 HG1 THR 30 6.878 1.277 4.749 215 HG21 THR 30 3HG2 THR 30 5.000 4.269 2.857 216 HG22 THR 30 1HG2 THR 30 4.284 3.107 3.998 217 HG23 THR 30 2HG2 THR 30 4.609 2.619 2.318 218 H ASN 31 HN ASN 31 6.027 3.663 0.359 219 HA ASN 31 HA ASN 31 5.893 0.954 -0.795 220 HB2 ASN 31 HB1 ASN 31 3.690 1.738 -0.097 221 HB3 ASN 31 HB2 ASN 31 3.910 3.235 -1.036 222 HD21 ASN 31 1HD2 ASN 31 2.423 3.083 -2.582 223 HD22 ASN 31 2HD2 ASN 31 2.257 1.769 -3.692 224 H VAL 32 HN VAL 32 6.647 4.300 -1.321 225 HA VAL 32 HA VAL 32 6.974 3.960 -4.189 226 HB VAL 32 HB VAL 32 7.565 6.346 -2.430 227 HG11 VAL 32 1HG1 VAL 32 7.672 7.617 -4.531 228 HG12 VAL 32 2HG1 VAL 32 7.479 6.102 -5.445 229 HG13 VAL 32 3HG1 VAL 32 8.931 6.362 -4.449 230 HG21 VAL 32 3HG2 VAL 32 5.224 5.759 -4.257 231 HG22 VAL 32 1HG2 VAL 32 5.507 7.288 -3.391 232 HG23 VAL 32 2HG2 VAL 32 5.188 5.795 -2.478 233 H GLY 33 HN GLY 33 9.153 5.422 -1.776 234 HA2 GLY 33 HA1 GLY 33 11.498 4.928 -3.228 235 HA3 GLY 33 HA2 GLY 33 11.425 5.272 -1.506 236 H SER 34 HN SER 34 9.761 2.922 -0.942 237 HA SER 34 HA SER 34 11.708 1.102 -0.222 238 HB2 SER 34 HB1 SER 34 9.276 1.238 0.565 239 HB3 SER 34 HB2 SER 34 8.873 0.284 -0.883 240 HG SER 34 HG SER 34 10.132 -1.386 -0.107 241 H ASN 35 HN ASN 35 9.853 1.305 -3.202 242 HA ASN 35 HA ASN 35 10.387 -1.155 -4.336 243 HB2 ASN 35 HB1 ASN 35 9.047 0.981 -5.184 244 HB3 ASN 35 HB2 ASN 35 10.555 1.260 -6.088 245 HD21 ASN 35 1HD2 ASN 35 8.334 0.866 -7.516 246 HD22 ASN 35 2HD2 ASN 35 8.329 -0.697 -8.253 247 H THR 36 HN THR 36 12.583 1.320 -3.551 248 HA THR 36 HA THR 36 14.655 0.098 -5.255 249 HB THR 36 HB THR 36 14.565 2.900 -4.117 250 HG1 THR 36 HG1 THR 36 13.938 1.763 -6.595 251 HG21 THR 36 3HG2 THR 36 16.855 2.035 -4.182 252 HG22 THR 36 1HG2 THR 36 16.612 3.288 -5.421 253 HG23 THR 36 2HG2 THR 36 16.635 1.570 -5.885 254 H TYR 37 HN TYR 37 14.167 1.674 -2.097 255 HA TYR 37 HA TYR 37 16.443 0.124 -1.059 256 HB2 TYR 37 HB1 TYR 37 15.163 2.649 0.019 257 HB3 TYR 37 HB2 TYR 37 16.527 1.784 0.768 258 HD1 TYR 37 HD1 TYR 37 15.502 3.622 -2.309 259 HD2 TYR 37 HD2 TYR 37 18.736 2.211 0.069 260 HE1 TYR 37 HE1 TYR 37 17.074 4.916 -3.689 261 HE2 TYR 37 HE2 TYR 37 20.316 3.503 -1.302 262 HH TYR 37 HH TYR 37 19.807 5.874 -2.955 263 HN1 NH2 38 HN1 NH2 37 12.863 1.264 -0.197 264 HN2 NH2 38 HN2 NH2 37 12.594 -0.128 0.996 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 4.069 -8.334 6.017 2 H2 LYS 1 HT2 LYS 1 3.840 -8.318 4.285 3 H3 LYS 1 HT3 LYS 1 3.283 -9.680 5.228 4 HA LYS 1 HA LYS 1 1.710 -8.300 6.337 5 HB2 LYS 1 HB1 LYS 1 3.360 -6.220 5.393 6 HB3 LYS 1 HB2 LYS 1 1.795 -6.020 4.569 7 HG2 LYS 1 HG1 LYS 1 1.086 -6.528 7.200 8 HG3 LYS 1 HG2 LYS 1 2.538 -5.507 7.344 9 HD2 LYS 1 HD1 LYS 1 1.546 -3.802 5.952 10 HD3 LYS 1 HD2 LYS 1 0.147 -4.845 5.598 11 HE2 LYS 1 HE1 LYS 1 0.908 -3.862 8.366 12 HE3 LYS 1 HE2 LYS 1 -0.306 -3.089 7.318 13 HZ1 LYS 1 HZ1 LYS 1 -0.767 -5.091 9.111 14 HZ2 LYS 1 HZ2 LYS 1 -0.747 -5.904 7.628 15 HZ3 LYS 1 HZ3 LYS 1 -1.811 -4.612 7.868 16 H CYS 2 HN CYS 2 -0.124 -9.122 5.599 17 HA CYS 2 HA CYS 2 -1.749 -9.890 4.205 18 HB2 CYS 2 HB1 CYS 2 -0.868 -7.317 3.076 19 HB3 CYS 2 HB2 CYS 2 -1.701 -8.386 1.921 20 H ASN 3 HN ASN 3 -0.786 -11.893 3.788 21 HA ASN 3 HA ASN 3 0.760 -12.103 1.298 22 HB2 ASN 3 HB1 ASN 3 0.552 -13.838 3.750 23 HB3 ASN 3 HB2 ASN 3 1.154 -14.503 2.213 24 HD21 ASN 3 1HD2 ASN 3 2.810 -12.911 1.154 25 HD22 ASN 3 2HD2 ASN 3 4.068 -12.376 2.210 26 H THR 4 HN THR 4 -1.677 -11.657 0.573 27 HA THR 4 HA THR 4 -2.573 -14.156 -0.549 28 HB THR 4 HB THR 4 -4.952 -12.944 0.496 29 HG1 THR 4 HG1 THR 4 -3.277 -13.896 2.568 30 HG21 THR 4 3HG2 THR 4 -4.759 -15.263 -0.271 31 HG22 THR 4 1HG2 THR 4 -5.315 -15.195 1.418 32 HG23 THR 4 2HG2 THR 4 -3.623 -15.610 1.055 33 H ALA 5 HN ALA 5 -4.790 -13.638 -1.774 34 HA ALA 5 HA ALA 5 -4.167 -11.350 -3.467 35 HB1 ALA 5 HB1 ALA 5 -5.816 -12.310 -5.021 36 HB2 ALA 5 HB2 ALA 5 -6.176 -13.582 -3.830 37 HB3 ALA 5 HB3 ALA 5 -4.559 -13.484 -4.567 38 H THR 6 HN THR 6 -6.927 -12.654 -1.645 39 HA THR 6 HA THR 6 -8.785 -10.669 -2.193 40 HB THR 6 HB THR 6 -9.479 -12.660 -1.039 41 HG1 THR 6 HG1 THR 6 -10.375 -10.408 -0.473 42 HG21 THR 6 3HG2 THR 6 -7.425 -13.106 0.219 43 HG22 THR 6 1HG2 THR 6 -8.844 -13.122 1.292 44 HG23 THR 6 2HG2 THR 6 -7.761 -11.709 1.269 45 H CYS 7 HN CYS 7 -6.057 -10.640 -0.018 46 HA CYS 7 HA CYS 7 -6.682 -8.582 1.702 47 HB2 CYS 7 HB1 CYS 7 -4.315 -9.943 0.837 48 HB3 CYS 7 HB2 CYS 7 -3.980 -8.197 0.919 49 H ALA 8 HN ALA 8 -5.819 -8.425 -1.675 50 HA ALA 8 HA ALA 8 -5.024 -5.845 -2.050 51 HB1 ALA 8 HB1 ALA 8 -6.064 -5.944 -4.276 52 HB2 ALA 8 HB2 ALA 8 -6.970 -7.391 -3.773 53 HB3 ALA 8 HB3 ALA 8 -5.194 -7.444 -3.874 54 H THR 9 HN THR 9 -8.325 -6.991 -1.526 55 HA THR 9 HA THR 9 -9.684 -4.600 -2.017 56 HB THR 9 HB THR 9 -10.730 -6.274 0.187 57 HG1 THR 9 HG1 THR 9 -10.752 -7.354 -2.428 58 HG21 THR 9 3HG2 THR 9 -12.087 -4.534 -0.880 59 HG22 THR 9 1HG2 THR 9 -12.783 -6.147 -1.164 60 HG23 THR 9 2HG2 THR 9 -11.873 -5.330 -2.457 61 H GLN 10 HN GLN 10 -8.286 -5.865 0.989 62 HA GLN 10 HA GLN 10 -9.150 -3.755 2.649 63 HB2 GLN 10 HB1 GLN 10 -8.324 -6.000 3.415 64 HB3 GLN 10 HB2 GLN 10 -6.676 -5.456 3.019 65 HG2 GLN 10 HG1 GLN 10 -6.526 -4.136 4.843 66 HG3 GLN 10 HG2 GLN 10 -8.242 -3.665 4.779 67 HE21 GLN 10 1HE2 GLN 10 -6.573 -4.545 7.035 68 HE22 GLN 10 2HE2 GLN 10 -7.386 -5.906 7.718 69 H ARG 11 HN ARG 11 -5.997 -4.348 1.100 70 HA ARG 11 HA ARG 11 -4.698 -2.050 1.957 71 HB2 ARG 11 HB1 ARG 11 -4.274 -4.112 -0.011 72 HB3 ARG 11 HB2 ARG 11 -3.815 -2.527 -0.679 73 HG2 ARG 11 HG1 ARG 11 -2.076 -2.258 0.776 74 HG3 ARG 11 HG2 ARG 11 -2.857 -3.212 2.061 75 HD2 ARG 11 HD1 ARG 11 -1.729 -5.032 1.448 76 HD3 ARG 11 HD2 ARG 11 -2.362 -4.902 -0.211 77 HE ARG 11 HE ARG 11 -0.342 -3.062 -0.099 78 HH11 ARG 11 1HH1 ARG 11 -0.598 -6.476 0.535 79 HH12 ARG 11 2HH1 ARG 11 1.037 -6.816 0.076 80 HH21 ARG 11 1HH2 ARG 11 1.813 -3.498 -0.707 81 HH22 ARG 11 2HH2 ARG 11 2.409 -5.122 -0.629 82 H LEU 12 HN LEU 12 -6.174 -2.510 -1.261 83 HA LEU 12 HA LEU 12 -5.983 0.055 -2.201 84 HB2 LEU 12 HB1 LEU 12 -7.212 -2.270 -3.022 85 HB3 LEU 12 HB2 LEU 12 -8.579 -1.149 -2.811 86 HG LEU 12 HG LEU 12 -7.554 0.409 -4.386 87 HD11 LEU 12 1HD1 LEU 12 -5.559 -0.218 -5.663 88 HD12 LEU 12 2HD1 LEU 12 -5.380 -1.676 -4.659 89 HD13 LEU 12 3HD1 LEU 12 -5.206 -0.064 -3.925 90 HD21 LEU 12 3HD2 LEU 12 -7.703 -2.421 -5.450 91 HD22 LEU 12 1HD2 LEU 12 -7.795 -0.935 -6.424 92 HD23 LEU 12 2HD2 LEU 12 -9.073 -1.304 -5.242 93 H ALA 13 HN ALA 13 -8.816 -1.286 -0.493 94 HA ALA 13 HA ALA 13 -10.358 0.982 -0.324 95 HB1 ALA 13 HB1 ALA 13 -11.379 -0.004 1.686 96 HB2 ALA 13 HB2 ALA 13 -10.041 -1.173 1.775 97 HB3 ALA 13 HB3 ALA 13 -11.156 -1.202 0.389 98 H ASN 14 HN ASN 14 -7.593 0.071 1.655 99 HA ASN 14 HA ASN 14 -7.910 2.136 3.584 100 HB2 ASN 14 HB1 ASN 14 -6.318 -0.107 3.344 101 HB3 ASN 14 HB2 ASN 14 -5.157 1.227 3.143 102 HD21 ASN 14 1HD2 ASN 14 -7.458 -0.287 5.288 103 HD22 ASN 14 2HD2 ASN 14 -6.926 0.494 6.735 104 H PHE 15 HN PHE 15 -6.173 1.867 0.536 105 HA PHE 15 HA PHE 15 -4.808 4.371 0.818 106 HB2 PHE 15 HB1 PHE 15 -3.670 2.920 -0.587 107 HB3 PHE 15 HB2 PHE 15 -5.164 2.362 -1.378 108 HD1 PHE 15 HD1 PHE 15 -2.969 5.360 -1.045 109 HD2 PHE 15 HD2 PHE 15 -5.774 3.234 -3.438 110 HE1 PHE 15 HE1 PHE 15 -2.577 6.935 -2.894 111 HE2 PHE 15 HE2 PHE 15 -5.386 4.806 -5.292 112 HZ PHE 15 HZ PHE 15 -3.786 6.658 -5.022 113 H LEU 16 HN LEU 16 -7.925 3.386 -0.246 114 HA LEU 16 HA LEU 16 -8.431 5.754 -1.822 115 HB2 LEU 16 HB1 LEU 16 -9.921 3.293 -1.081 116 HB3 LEU 16 HB2 LEU 16 -10.881 4.736 -1.487 117 HG LEU 16 HG LEU 16 -9.564 4.810 -3.663 118 HD11 LEU 16 1HD1 LEU 16 -8.573 2.697 -4.411 119 HD12 LEU 16 2HD1 LEU 16 -8.850 2.001 -2.797 120 HD13 LEU 16 3HD1 LEU 16 -7.719 3.360 -2.997 121 HD21 LEU 16 3HD2 LEU 16 -11.357 2.433 -3.118 122 HD22 LEU 16 1HD2 LEU 16 -10.986 3.114 -4.720 123 HD23 LEU 16 2HD2 LEU 16 -11.892 4.080 -3.531 124 H VAL 17 HN VAL 17 -9.275 4.526 1.379 125 HA VAL 17 HA VAL 17 -10.930 6.785 2.026 126 HB VAL 17 HB VAL 17 -11.429 4.674 3.081 127 HG11 VAL 17 1HG1 VAL 17 -9.894 3.621 4.684 128 HG12 VAL 17 2HG1 VAL 17 -8.661 4.844 4.291 129 HG13 VAL 17 3HG1 VAL 17 -9.199 3.690 3.047 130 HG21 VAL 17 3HG2 VAL 17 -10.313 6.653 5.081 131 HG22 VAL 17 1HG2 VAL 17 -11.477 5.356 5.442 132 HG23 VAL 17 2HG2 VAL 17 -11.938 6.689 4.358 133 H HIS 18 HN HIS 18 -7.586 5.880 2.458 134 HA HIS 18 HA HIS 18 -7.110 8.250 4.119 135 HB2 HIS 18 HB1 HIS 18 -5.355 5.871 3.477 136 HB3 HIS 18 HB2 HIS 18 -4.838 7.265 4.455 137 HD1 HIS 18 HD1 HIS 18 -5.926 7.506 6.821 138 HD2 HIS 18 HD2 HIS 18 -6.975 4.034 4.797 139 HE1 HIS 18 HE1 HIS 18 -6.973 6.010 8.551 140 H SER 19 HN SER 19 -7.655 9.340 1.922 141 HA SER 19 HA SER 19 -5.984 9.339 -0.265 142 HB2 SER 19 HB1 SER 19 -6.625 12.010 -0.041 143 HB3 SER 19 HB2 SER 19 -7.656 10.762 -0.781 144 HG SER 19 HG SER 19 -8.914 10.753 0.957 145 H SER 20 HN SER 20 -5.476 10.784 2.875 146 HA SER 20 HA SER 20 -3.434 12.573 2.337 147 HB2 SER 20 HB1 SER 20 -2.725 11.350 4.770 148 HB3 SER 20 HB2 SER 20 -3.707 12.819 4.549 149 HG SER 20 HG SER 20 -4.477 10.449 5.488 150 H ASN 21 HN ASN 21 -3.258 9.080 2.859 151 HA ASN 21 HA ASN 21 -0.535 8.706 2.999 152 HB2 ASN 21 HB1 ASN 21 -2.776 7.049 1.886 153 HB3 ASN 21 HB2 ASN 21 -1.094 6.499 1.689 154 HD21 ASN 21 1HD2 ASN 21 0.178 6.833 3.869 155 HD22 ASN 21 2HD2 ASN 21 -0.599 6.149 5.253 156 H ASN 22 HN ASN 22 -2.496 9.472 0.213 157 HA ASN 22 HA ASN 22 -0.822 8.769 -1.871 158 HB2 ASN 22 HB1 ASN 22 -3.092 9.614 -2.217 159 HB3 ASN 22 HB2 ASN 22 -2.589 11.223 -1.643 160 HD21 ASN 22 1HD2 ASN 22 -0.932 8.955 -3.802 161 HD22 ASN 22 2HD2 ASN 22 -0.875 10.017 -5.163 162 H PHE 23 HN PHE 23 -0.782 11.705 0.109 163 HA PHE 23 HA PHE 23 1.541 12.728 -1.297 164 HB2 PHE 23 HB1 PHE 23 -0.556 13.926 0.035 165 HB3 PHE 23 HB2 PHE 23 0.789 14.079 1.191 166 HD1 PHE 23 HD2 PHE 23 3.103 14.526 -0.450 167 HD2 PHE 23 HD1 PHE 23 -0.866 15.968 -0.985 168 HE1 PHE 23 HE2 PHE 23 3.975 16.445 -1.717 169 HE2 PHE 23 HE1 PHE 23 0.001 17.891 -2.255 170 HZ PHE 23 HZ PHE 23 2.425 18.131 -2.622 171 H GLY 24 HN GLY 24 0.732 11.574 1.965 172 HA2 GLY 24 HA1 GLY 24 3.221 11.932 3.162 173 HA3 GLY 24 HA2 GLY 24 2.052 10.705 3.629 174 H ALA 25 HN ALA 25 2.209 9.558 0.848 175 HA ALA 25 HA ALA 25 3.989 7.489 1.336 176 HB1 ALA 25 HB1 ALA 25 3.751 6.916 -1.044 177 HB2 ALA 25 HB2 ALA 25 2.990 8.498 -1.335 178 HB3 ALA 25 HB3 ALA 25 2.187 7.304 -0.288 179 H ILE 26 HN ILE 26 4.547 10.630 -0.056 180 HA ILE 26 HA ILE 26 7.143 9.962 -1.116 181 HB ILE 26 HB ILE 26 5.855 12.663 -0.708 182 HG12 ILE 26 1HG1 ILE 26 5.959 12.241 -3.398 183 HG13 ILE 26 2HG1 ILE 26 5.669 10.589 -2.800 184 HG21 ILE 26 1HG2 ILE 26 7.553 13.485 -2.283 185 HG22 ILE 26 2HG2 ILE 26 8.303 11.871 -2.298 186 HG23 ILE 26 3HG2 ILE 26 8.283 12.830 -0.798 187 HD11 ILE 26 3HD1 ILE 26 3.681 11.374 -1.598 188 HD12 ILE 26 1HD1 ILE 26 3.571 11.723 -3.339 189 HD13 ILE 26 2HD1 ILE 26 3.971 13.025 -2.195 190 H LEU 27 HN LEU 27 5.847 11.119 1.874 191 HA LEU 27 HA LEU 27 8.363 12.155 2.846 192 HB2 LEU 27 HB1 LEU 27 5.618 12.342 3.579 193 HB3 LEU 27 HB2 LEU 27 6.515 11.680 4.968 194 HG LEU 27 HG LEU 27 7.681 14.077 3.672 195 HD11 LEU 27 1HD1 LEU 27 6.158 15.600 4.842 196 HD12 LEU 27 2HD1 LEU 27 5.152 14.214 5.326 197 HD13 LEU 27 3HD1 LEU 27 5.308 14.642 3.606 198 HD21 LEU 27 3HD2 LEU 27 7.189 13.247 6.542 199 HD22 LEU 27 1HD2 LEU 27 8.120 14.668 6.012 200 HD23 LEU 27 2HD2 LEU 27 8.702 13.031 5.630 201 H SER 28 HN SER 28 6.375 9.272 3.306 202 HA SER 28 HA SER 28 8.261 8.145 5.201 203 HB2 SER 28 HB1 SER 28 5.519 7.559 4.304 204 HB3 SER 28 HB2 SER 28 6.514 6.110 4.585 205 HG SER 28 HG SER 28 7.057 7.219 6.665 206 H SER 29 HN SER 29 7.238 7.653 1.864 207 HA SER 29 HA SER 29 8.132 6.467 0.140 208 HB2 SER 29 HB1 SER 29 10.763 6.307 1.581 209 HB3 SER 29 HB2 SER 29 10.437 6.584 -0.147 210 HG SER 29 HG SER 29 11.128 8.466 1.159 211 H THR 30 HN THR 30 6.952 5.039 2.393 212 HA THR 30 HA THR 30 8.520 2.640 2.751 213 HB THR 30 HB THR 30 7.098 3.435 4.581 214 HG1 THR 30 HG1 THR 30 7.429 1.048 3.951 215 HG21 THR 30 3HG2 THR 30 5.287 4.424 3.257 216 HG22 THR 30 1HG2 THR 30 4.647 3.252 4.433 217 HG23 THR 30 2HG2 THR 30 4.792 2.802 2.718 218 H ASN 31 HN ASN 31 5.901 3.735 0.725 219 HA ASN 31 HA ASN 31 5.621 1.033 -0.399 220 HB2 ASN 31 HB1 ASN 31 3.487 1.724 -1.286 221 HB3 ASN 31 HB2 ASN 31 3.553 2.143 0.443 222 HD21 ASN 31 1HD2 ASN 31 3.163 3.297 -2.743 223 HD22 ASN 31 2HD2 ASN 31 3.020 4.978 -2.371 224 H VAL 32 HN VAL 32 6.519 4.317 -1.117 225 HA VAL 32 HA VAL 32 6.762 3.759 -3.970 226 HB VAL 32 HB VAL 32 7.398 6.310 -2.484 227 HG11 VAL 32 1HG1 VAL 32 7.264 7.357 -4.703 228 HG12 VAL 32 2HG1 VAL 32 7.007 5.754 -5.431 229 HG13 VAL 32 3HG1 VAL 32 8.550 6.129 -4.626 230 HG21 VAL 32 3HG2 VAL 32 4.895 5.513 -3.986 231 HG22 VAL 32 1HG2 VAL 32 5.231 7.126 -3.314 232 HG23 VAL 32 2HG2 VAL 32 5.041 5.731 -2.226 233 H GLY 33 HN GLY 33 8.874 5.084 -1.410 234 HA2 GLY 33 HA1 GLY 33 11.262 4.806 -2.890 235 HA3 GLY 33 HA2 GLY 33 11.153 5.008 -1.148 236 H SER 34 HN SER 34 9.961 2.794 -0.250 237 HA SER 34 HA SER 34 11.976 0.888 -0.200 238 HB2 SER 34 HB1 SER 34 9.921 1.213 1.362 239 HB3 SER 34 HB2 SER 34 9.091 0.125 0.223 240 HG SER 34 HG SER 34 9.977 -1.355 1.461 241 H ASN 35 HN ASN 35 9.361 1.311 -2.451 242 HA ASN 35 HA ASN 35 9.131 -1.199 -3.580 243 HB2 ASN 35 HB1 ASN 35 7.977 1.139 -4.105 244 HB3 ASN 35 HB2 ASN 35 9.186 1.161 -5.412 245 HD21 ASN 35 1HD2 ASN 35 6.729 -0.946 -3.945 246 HD22 ASN 35 2HD2 ASN 35 6.211 -1.666 -5.428 247 H THR 36 HN THR 36 11.838 0.858 -3.561 248 HA THR 36 HA THR 36 13.213 -0.926 -5.443 249 HB THR 36 HB THR 36 14.547 1.243 -6.093 250 HG1 THR 36 HG1 THR 36 11.992 2.392 -5.648 251 HG21 THR 36 3HG2 THR 36 13.291 -0.148 -7.671 252 HG22 THR 36 1HG2 THR 36 13.050 1.582 -8.016 253 HG23 THR 36 2HG2 THR 36 11.780 0.655 -7.182 254 H TYR 37 HN TYR 37 13.616 1.655 -3.032 255 HA TYR 37 HA TYR 37 16.075 0.302 -2.131 256 HB2 TYR 37 HB1 TYR 37 15.355 3.234 -2.186 257 HB3 TYR 37 HB2 TYR 37 16.689 2.595 -1.196 258 HD1 TYR 37 HD1 TYR 37 15.462 2.915 -4.695 259 HD2 TYR 37 HD2 TYR 37 18.794 2.145 -2.165 260 HE1 TYR 37 HE1 TYR 37 16.961 3.045 -6.641 261 HE2 TYR 37 HE2 TYR 37 20.304 2.274 -4.102 262 HH TYR 37 HH TYR 37 19.556 3.631 -6.927 263 HN1 NH2 38 HN1 NH2 37 12.695 0.433 -1.306 264 HN2 NH2 38 HN2 NH2 37 12.865 0.496 0.538 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 2.304 -13.884 4.793 2 H2 LYS 1 HT2 LYS 1 1.312 -14.675 3.592 3 H3 LYS 1 HT3 LYS 1 0.590 -13.555 4.723 4 HA LYS 1 HA LYS 1 1.844 -11.771 3.794 5 HB2 LYS 1 HB1 LYS 1 3.180 -12.069 1.778 6 HB3 LYS 1 HB2 LYS 1 3.812 -13.074 3.105 7 HG2 LYS 1 HG1 LYS 1 3.831 -14.723 1.592 8 HG3 LYS 1 HG2 LYS 1 2.073 -14.792 1.861 9 HD2 LYS 1 HD1 LYS 1 2.076 -12.868 0.031 10 HD3 LYS 1 HD2 LYS 1 3.622 -13.627 -0.419 11 HE2 LYS 1 HE1 LYS 1 1.111 -15.259 -0.036 12 HE3 LYS 1 HE2 LYS 1 1.474 -14.455 -1.583 13 HZ1 LYS 1 HZ1 LYS 1 3.645 -15.650 -1.544 14 HZ2 LYS 1 HZ2 LYS 1 2.300 -16.665 -1.689 15 HZ3 LYS 1 HZ3 LYS 1 3.100 -16.529 -0.204 16 H CYS 2 HN CYS 2 1.241 -10.705 1.690 17 HA CYS 2 HA CYS 2 -0.864 -11.971 0.165 18 HB2 CYS 2 HB1 CYS 2 -1.425 -10.131 2.361 19 HB3 CYS 2 HB2 CYS 2 -2.105 -9.578 0.812 20 H ASN 3 HN ASN 3 -0.698 -11.335 -1.880 21 HA ASN 3 HA ASN 3 0.524 -8.711 -2.437 22 HB2 ASN 3 HB1 ASN 3 1.036 -11.404 -3.665 23 HB3 ASN 3 HB2 ASN 3 1.268 -9.928 -4.634 24 HD21 ASN 3 1HD2 ASN 3 2.585 -8.208 -3.465 25 HD22 ASN 3 2HD2 ASN 3 4.000 -8.756 -2.642 26 H THR 4 HN THR 4 -1.237 -11.282 -4.179 27 HA THR 4 HA THR 4 -3.015 -9.192 -5.257 28 HB THR 4 HB THR 4 -1.495 -10.098 -6.993 29 HG1 THR 4 HG1 THR 4 -3.239 -9.559 -8.079 30 HG21 THR 4 3HG2 THR 4 -1.214 -12.363 -6.102 31 HG22 THR 4 1HG2 THR 4 -1.802 -12.408 -7.781 32 HG23 THR 4 2HG2 THR 4 -2.927 -12.709 -6.436 33 H ALA 5 HN ALA 5 -3.320 -10.908 -2.877 34 HA ALA 5 HA ALA 5 -5.459 -12.740 -3.644 35 HB1 ALA 5 HB1 ALA 5 -5.422 -13.446 -1.287 36 HB2 ALA 5 HB2 ALA 5 -4.191 -12.205 -0.950 37 HB3 ALA 5 HB3 ALA 5 -3.817 -13.556 -2.047 38 H THR 6 HN THR 6 -7.148 -12.677 -1.537 39 HA THR 6 HA THR 6 -8.937 -10.656 -2.139 40 HB THR 6 HB THR 6 -8.835 -11.889 0.604 41 HG1 THR 6 HG1 THR 6 -9.475 -13.785 -0.206 42 HG21 THR 6 3HG2 THR 6 -10.577 -10.218 0.180 43 HG22 THR 6 1HG2 THR 6 -11.284 -11.838 0.378 44 HG23 THR 6 2HG2 THR 6 -11.112 -11.136 -1.248 45 H CYS 7 HN CYS 7 -6.235 -10.634 0.051 46 HA CYS 7 HA CYS 7 -6.853 -8.572 1.770 47 HB2 CYS 7 HB1 CYS 7 -4.183 -9.139 0.460 48 HB3 CYS 7 HB2 CYS 7 -4.429 -8.136 1.910 49 H ALA 8 HN ALA 8 -5.993 -8.424 -1.610 50 HA ALA 8 HA ALA 8 -5.188 -5.848 -1.991 51 HB1 ALA 8 HB1 ALA 8 -6.235 -5.948 -4.217 52 HB2 ALA 8 HB2 ALA 8 -7.148 -7.388 -3.706 53 HB3 ALA 8 HB3 ALA 8 -5.372 -7.451 -3.813 54 H THR 9 HN THR 9 -8.492 -6.978 -1.451 55 HA THR 9 HA THR 9 -9.843 -4.581 -1.945 56 HB THR 9 HB THR 9 -10.886 -6.247 0.270 57 HG1 THR 9 HG1 THR 9 -11.030 -8.067 -0.872 58 HG21 THR 9 3HG2 THR 9 -12.241 -4.503 -0.789 59 HG22 THR 9 1HG2 THR 9 -12.945 -6.113 -1.069 60 HG23 THR 9 2HG2 THR 9 -12.040 -5.300 -2.367 61 H GLN 10 HN GLN 10 -8.447 -5.845 1.063 62 HA GLN 10 HA GLN 10 -9.292 -3.724 2.718 63 HB2 GLN 10 HB1 GLN 10 -7.761 -6.110 2.983 64 HB3 GLN 10 HB2 GLN 10 -6.813 -4.770 3.672 65 HG2 GLN 10 HG1 GLN 10 -9.267 -4.270 4.729 66 HG3 GLN 10 HG2 GLN 10 -9.293 -6.048 4.628 67 HE21 GLN 10 1HE2 GLN 10 -8.057 -7.224 5.998 68 HE22 GLN 10 2HE2 GLN 10 -7.088 -6.547 7.259 69 H ARG 11 HN ARG 11 -6.147 -4.342 1.159 70 HA ARG 11 HA ARG 11 -4.829 -2.051 2.005 71 HB2 ARG 11 HB1 ARG 11 -4.489 -4.055 -0.101 72 HB3 ARG 11 HB2 ARG 11 -3.848 -2.455 -0.548 73 HG2 ARG 11 HG1 ARG 11 -2.169 -2.551 0.973 74 HG3 ARG 11 HG2 ARG 11 -3.141 -3.461 2.154 75 HD2 ARG 11 HD1 ARG 11 -1.898 -5.230 1.558 76 HD3 ARG 11 HD2 ARG 11 -2.890 -5.255 0.079 77 HE ARG 11 HE ARG 11 -0.596 -3.523 -0.087 78 HH11 ARG 11 1HH1 ARG 11 -1.764 -6.779 -0.475 79 HH12 ARG 11 2HH1 ARG 11 -0.519 -7.231 -1.593 80 HH21 ARG 11 1HH2 ARG 11 1.048 -4.106 -1.557 81 HH22 ARG 11 2HH2 ARG 11 1.080 -5.710 -2.207 82 H LEU 12 HN LEU 12 -6.322 -2.508 -1.206 83 HA LEU 12 HA LEU 12 -6.120 0.055 -2.152 84 HB2 LEU 12 HB1 LEU 12 -7.366 -2.264 -2.963 85 HB3 LEU 12 HB2 LEU 12 -8.725 -1.134 -2.747 86 HG LEU 12 HG LEU 12 -7.698 0.415 -4.329 87 HD11 LEU 12 1HD1 LEU 12 -5.714 -0.226 -5.616 88 HD12 LEU 12 2HD1 LEU 12 -5.540 -1.685 -4.612 89 HD13 LEU 12 3HD1 LEU 12 -5.350 -0.073 -3.881 90 HD21 LEU 12 3HD2 LEU 12 -7.872 -2.413 -5.389 91 HD22 LEU 12 1HD2 LEU 12 -7.958 -0.926 -6.364 92 HD23 LEU 12 2HD2 LEU 12 -9.232 -1.285 -5.174 93 H ALA 13 HN ALA 13 -8.952 -1.264 -0.428 94 HA ALA 13 HA ALA 13 -10.477 1.015 -0.255 95 HB1 ALA 13 HB1 ALA 13 -11.497 0.039 1.760 96 HB2 ALA 13 HB2 ALA 13 -10.165 -1.138 1.845 97 HB3 ALA 13 HB3 ALA 13 -11.287 -1.162 0.464 98 H ASN 14 HN ASN 14 -7.709 0.091 1.713 99 HA ASN 14 HA ASN 14 -8.003 2.162 3.639 100 HB2 ASN 14 HB1 ASN 14 -6.270 -0.056 3.199 101 HB3 ASN 14 HB2 ASN 14 -5.256 1.397 3.380 102 HD21 ASN 14 1HD2 ASN 14 -5.916 -1.016 5.117 103 HD22 ASN 14 2HD2 ASN 14 -6.311 -0.327 6.652 104 H PHE 15 HN PHE 15 -6.284 1.875 0.584 105 HA PHE 15 HA PHE 15 -4.899 4.367 0.853 106 HB2 PHE 15 HB1 PHE 15 -3.778 2.907 -0.552 107 HB3 PHE 15 HB2 PHE 15 -5.279 2.356 -1.335 108 HD1 PHE 15 HD2 PHE 15 -3.057 5.337 -1.021 109 HD2 PHE 15 HD1 PHE 15 -5.895 3.233 -3.395 110 HE1 PHE 15 HE2 PHE 15 -2.662 6.905 -2.875 111 HE2 PHE 15 HE1 PHE 15 -5.504 4.796 -5.255 112 HZ PHE 15 HZ PHE 15 -3.887 6.635 -4.995 113 H LEU 16 HN LEU 16 -8.027 3.404 -0.195 114 HA LEU 16 HA LEU 16 -8.524 5.771 -1.773 115 HB2 LEU 16 HB1 LEU 16 -10.031 3.323 -1.017 116 HB3 LEU 16 HB2 LEU 16 -10.979 4.773 -1.429 117 HG LEU 16 HG LEU 16 -9.663 4.823 -3.607 118 HD11 LEU 16 1HD1 LEU 16 -8.699 2.699 -4.348 119 HD12 LEU 16 2HD1 LEU 16 -8.981 2.011 -2.731 120 HD13 LEU 16 3HD1 LEU 16 -7.834 3.356 -2.938 121 HD21 LEU 16 3HD2 LEU 16 -11.481 2.470 -3.049 122 HD22 LEU 16 1HD2 LEU 16 -11.104 3.139 -4.655 123 HD23 LEU 16 2HD2 LEU 16 -11.999 4.120 -3.470 124 H VAL 17 HN VAL 17 -9.359 4.554 1.435 125 HA VAL 17 HA VAL 17 -10.998 6.827 2.086 126 HB VAL 17 HB VAL 17 -11.507 4.721 3.144 127 HG11 VAL 17 1HG1 VAL 17 -9.971 3.660 4.744 128 HG12 VAL 17 2HG1 VAL 17 -8.733 4.874 4.344 129 HG13 VAL 17 3HG1 VAL 17 -9.283 3.722 3.104 130 HG21 VAL 17 3HG2 VAL 17 -10.366 6.693 5.137 131 HG22 VAL 17 1HG2 VAL 17 -11.539 5.407 5.506 132 HG23 VAL 17 2HG2 VAL 17 -11.995 6.743 4.422 133 H HIS 18 HN HIS 18 -7.658 5.899 2.505 134 HA HIS 18 HA HIS 18 -7.159 8.269 4.159 135 HB2 HIS 18 HB1 HIS 18 -5.423 5.876 3.511 136 HB3 HIS 18 HB2 HIS 18 -4.892 7.269 4.486 137 HD1 HIS 18 HD1 HIS 18 -5.969 7.522 6.857 138 HD2 HIS 18 HD2 HIS 18 -7.051 4.052 4.842 139 HE1 HIS 18 HE1 HIS 18 -7.020 6.035 8.594 140 H SER 19 HN SER 19 -7.707 9.358 1.962 141 HA SER 19 HA SER 19 -6.045 9.342 -0.231 142 HB2 SER 19 HB1 SER 19 -7.659 11.535 1.062 143 HB3 SER 19 HB2 SER 19 -6.677 11.859 -0.388 144 HG SER 19 HG SER 19 -7.845 10.108 -1.399 145 H SER 20 HN SER 20 -5.514 10.790 2.903 146 HA SER 20 HA SER 20 -3.461 12.564 2.352 147 HB2 SER 20 HB1 SER 20 -4.004 10.822 4.765 148 HB3 SER 20 HB2 SER 20 -2.660 11.990 4.720 149 HG SER 20 HG SER 20 -5.447 12.492 4.573 150 H ASN 21 HN ASN 21 -3.308 9.070 2.882 151 HA ASN 21 HA ASN 21 -0.587 8.678 3.012 152 HB2 ASN 21 HB1 ASN 21 -2.845 7.033 1.912 153 HB3 ASN 21 HB2 ASN 21 -1.168 6.471 1.708 154 HD21 ASN 21 1HD2 ASN 21 0.113 6.813 3.888 155 HD22 ASN 21 2HD2 ASN 21 -0.661 6.135 5.275 156 H ASN 22 HN ASN 22 -2.555 9.450 0.231 157 HA ASN 22 HA ASN 22 -0.894 8.731 -1.858 158 HB2 ASN 22 HB1 ASN 22 -3.160 9.591 -2.194 159 HB3 ASN 22 HB2 ASN 22 -2.642 11.198 -1.627 160 HD21 ASN 22 1HD2 ASN 22 -1.012 8.913 -3.789 161 HD22 ASN 22 2HD2 ASN 22 -0.954 9.970 -5.154 162 H PHE 23 HN PHE 23 -0.825 11.671 0.115 163 HA PHE 23 HA PHE 23 1.500 12.674 -1.304 164 HB2 PHE 23 HB1 PHE 23 -0.321 14.186 -0.518 165 HB3 PHE 23 HB2 PHE 23 0.136 13.790 1.156 166 HD1 PHE 23 HD2 PHE 23 2.223 14.547 -1.848 167 HD2 PHE 23 HD1 PHE 23 1.052 15.700 2.079 168 HE1 PHE 23 HE2 PHE 23 3.899 16.346 -1.881 169 HE2 PHE 23 HE1 PHE 23 2.727 17.502 2.052 170 HZ PHE 23 HZ PHE 23 4.154 17.827 0.072 171 H GLY 24 HN GLY 24 0.696 11.534 1.964 172 HA2 GLY 24 HA1 GLY 24 3.192 11.875 3.150 173 HA3 GLY 24 HA2 GLY 24 2.017 10.659 3.624 174 H ALA 25 HN ALA 25 2.153 9.503 0.845 175 HA ALA 25 HA ALA 25 3.922 7.423 1.333 176 HB1 ALA 25 HB1 ALA 25 3.669 6.847 -1.047 177 HB2 ALA 25 HB2 ALA 25 2.917 8.434 -1.335 178 HB3 ALA 25 HB3 ALA 25 2.113 7.246 -0.282 179 H ILE 26 HN ILE 26 4.495 10.557 -0.070 180 HA ILE 26 HA ILE 26 7.083 9.869 -1.141 181 HB ILE 26 HB ILE 26 5.813 12.579 -0.734 182 HG12 ILE 26 1HG1 ILE 26 5.902 12.150 -3.425 183 HG13 ILE 26 2HG1 ILE 26 5.602 10.502 -2.821 184 HG21 ILE 26 1HG2 ILE 26 7.510 13.388 -2.321 185 HG22 ILE 26 2HG2 ILE 26 8.249 11.769 -2.335 186 HG23 ILE 26 3HG2 ILE 26 8.243 12.732 -0.838 187 HD11 ILE 26 3HD1 ILE 26 3.626 11.305 -1.611 188 HD12 ILE 26 1HD1 ILE 26 3.510 11.649 -3.353 189 HD13 ILE 26 2HD1 ILE 26 3.925 12.952 -2.215 190 H LEU 27 HN LEU 27 5.807 11.041 1.851 191 HA LEU 27 HA LEU 27 8.320 12.081 2.812 192 HB2 LEU 27 HB1 LEU 27 5.551 11.810 3.860 193 HB3 LEU 27 HB2 LEU 27 6.871 11.898 5.052 194 HG LEU 27 HG LEU 27 7.544 14.032 3.664 195 HD11 LEU 27 1HD1 LEU 27 5.592 15.234 2.802 196 HD12 LEU 27 2HD1 LEU 27 4.581 13.802 3.107 197 HD13 LEU 27 3HD1 LEU 27 5.885 13.730 1.898 198 HD21 LEU 27 3HD2 LEU 27 5.207 13.966 5.584 199 HD22 LEU 27 1HD2 LEU 27 6.193 15.394 5.191 200 HD23 LEU 27 2HD2 LEU 27 6.929 14.007 6.028 201 H SER 28 HN SER 28 6.362 9.180 3.291 202 HA SER 28 HA SER 28 8.295 8.058 5.142 203 HB2 SER 28 HB1 SER 28 6.178 7.411 5.805 204 HB3 SER 28 HB2 SER 28 5.590 7.263 4.131 205 HG SER 28 HG SER 28 7.354 5.489 5.494 206 H SER 29 HN SER 29 7.213 7.582 1.823 207 HA SER 29 HA SER 29 8.111 6.454 0.063 208 HB2 SER 29 HB1 SER 29 10.267 7.587 1.436 209 HB3 SER 29 HB2 SER 29 10.748 5.895 1.164 210 HG SER 29 HG SER 29 11.335 7.166 -0.616 211 H THR 30 HN THR 30 6.859 5.008 2.277 212 HA THR 30 HA THR 30 8.304 2.562 2.661 213 HB THR 30 HB THR 30 6.704 3.350 4.347 214 HG1 THR 30 HG1 THR 30 6.662 1.268 4.720 215 HG21 THR 30 3HG2 THR 30 5.050 4.372 2.857 216 HG22 THR 30 1HG2 THR 30 4.283 3.187 3.940 217 HG23 THR 30 2HG2 THR 30 4.605 2.762 2.242 218 H ASN 31 HN ASN 31 5.899 3.734 0.417 219 HA ASN 31 HA ASN 31 5.726 1.064 -0.805 220 HB2 ASN 31 HB1 ASN 31 3.541 1.801 -0.341 221 HB3 ASN 31 HB2 ASN 31 3.904 3.464 -0.863 222 HD21 ASN 31 1HD2 ASN 31 2.803 3.918 -2.620 223 HD22 ASN 31 2HD2 ASN 31 2.564 2.880 -3.981 224 H VAL 32 HN VAL 32 6.658 4.377 -1.353 225 HA VAL 32 HA VAL 32 7.155 3.918 -4.184 226 HB VAL 32 HB VAL 32 7.663 6.384 -2.515 227 HG11 VAL 32 1HG1 VAL 32 7.852 7.545 -4.674 228 HG12 VAL 32 2HG1 VAL 32 7.681 5.985 -5.514 229 HG13 VAL 32 3HG1 VAL 32 9.100 6.290 -4.484 230 HG21 VAL 32 3HG2 VAL 32 5.384 5.713 -4.390 231 HG22 VAL 32 1HG2 VAL 32 5.644 7.283 -3.594 232 HG23 VAL 32 2HG2 VAL 32 5.286 5.839 -2.617 233 H GLY 33 HN GLY 33 9.078 5.104 -1.414 234 HA2 GLY 33 HA1 GLY 33 11.573 4.852 -2.688 235 HA3 GLY 33 HA2 GLY 33 11.319 4.936 -0.951 236 H SER 34 HN SER 34 9.980 2.675 -0.362 237 HA SER 34 HA SER 34 11.941 0.738 -0.194 238 HB2 SER 34 HB1 SER 34 10.404 -0.501 0.944 239 HB3 SER 34 HB2 SER 34 9.483 1.021 0.891 240 HG SER 34 HG SER 34 8.215 0.215 -0.676 241 H ASN 35 HN ASN 35 9.663 1.357 -2.756 242 HA ASN 35 HA ASN 35 9.641 -1.045 -4.117 243 HB2 ASN 35 HB1 ASN 35 8.551 1.352 -4.594 244 HB3 ASN 35 HB2 ASN 35 9.908 1.440 -5.744 245 HD21 ASN 35 1HD2 ASN 35 8.503 1.402 -7.503 246 HD22 ASN 35 2HD2 ASN 35 7.687 -0.037 -8.002 247 H THR 36 HN THR 36 12.278 1.023 -3.544 248 HA THR 36 HA THR 36 13.933 -0.571 -5.373 249 HB THR 36 HB THR 36 15.247 1.827 -5.398 250 HG1 THR 36 HG1 THR 36 13.859 3.372 -5.045 251 HG21 THR 36 3HG2 THR 36 14.870 0.361 -7.326 252 HG22 THR 36 1HG2 THR 36 14.448 2.046 -7.715 253 HG23 THR 36 2HG2 THR 36 13.163 0.862 -7.376 254 H TYR 37 HN TYR 37 14.056 1.852 -2.761 255 HA TYR 37 HA TYR 37 16.478 0.559 -1.736 256 HB2 TYR 37 HB1 TYR 37 15.251 3.275 -1.407 257 HB3 TYR 37 HB2 TYR 37 16.362 2.655 -0.161 258 HD1 TYR 37 HD2 TYR 37 16.179 3.041 -3.887 259 HD2 TYR 37 HD1 TYR 37 18.618 3.125 -0.401 260 HE1 TYR 37 HE2 TYR 37 18.097 3.752 -5.253 261 HE2 TYR 37 HE1 TYR 37 20.543 3.838 -1.757 262 HH TYR 37 HH TYR 37 20.772 3.520 -4.933 263 HN1 NH2 38 HN1 NH2 37 12.848 1.255 -0.893 264 HN2 NH2 38 HN2 NH2 37 12.908 0.337 0.715 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 4.867 -8.842 5.135 2 H2 LYS 1 HT2 LYS 1 3.900 -8.023 3.932 3 H3 LYS 1 HT3 LYS 1 4.448 -9.658 3.648 4 HA LYS 1 HA LYS 1 3.130 -10.440 5.454 5 HB2 LYS 1 HB1 LYS 1 3.237 -7.855 6.364 6 HB3 LYS 1 HB2 LYS 1 1.576 -7.956 5.733 7 HG2 LYS 1 HG1 LYS 1 0.892 -9.216 7.447 8 HG3 LYS 1 HG2 LYS 1 2.317 -10.279 7.343 9 HD2 LYS 1 HD1 LYS 1 2.657 -7.512 8.443 10 HD3 LYS 1 HD2 LYS 1 1.889 -8.752 9.464 11 HE2 LYS 1 HE1 LYS 1 4.150 -9.974 8.285 12 HE3 LYS 1 HE2 LYS 1 4.678 -8.367 8.838 13 HZ1 LYS 1 HZ1 LYS 1 4.611 -10.483 10.421 14 HZ2 LYS 1 HZ2 LYS 1 3.040 -9.920 10.690 15 HZ3 LYS 1 HZ3 LYS 1 4.363 -8.911 10.995 16 H CYS 2 HN CYS 2 0.633 -10.576 5.338 17 HA CYS 2 HA CYS 2 -1.171 -11.108 4.057 18 HB2 CYS 2 HB1 CYS 2 -0.352 -8.403 3.249 19 HB3 CYS 2 HB2 CYS 2 -1.333 -9.260 2.036 20 H ASN 3 HN ASN 3 -0.322 -13.037 3.227 21 HA ASN 3 HA ASN 3 1.194 -13.023 0.771 22 HB2 ASN 3 HB1 ASN 3 1.190 -15.445 0.962 23 HB3 ASN 3 HB2 ASN 3 1.593 -14.716 2.535 24 HD21 ASN 3 1HD2 ASN 3 -0.568 -16.717 0.798 25 HD22 ASN 3 2HD2 ASN 3 -1.645 -17.080 2.099 26 H THR 4 HN THR 4 -2.110 -13.706 1.779 27 HA THR 4 HA THR 4 -3.031 -14.778 -0.660 28 HB THR 4 HB THR 4 -4.304 -15.039 1.410 29 HG1 THR 4 HG1 THR 4 -6.064 -15.119 0.235 30 HG21 THR 4 3HG2 THR 4 -3.845 -12.856 2.421 31 HG22 THR 4 1HG2 THR 4 -5.595 -13.166 2.342 32 HG23 THR 4 2HG2 THR 4 -4.833 -12.065 1.169 33 H ALA 5 HN ALA 5 -4.406 -13.796 -2.249 34 HA ALA 5 HA ALA 5 -3.488 -11.174 -3.018 35 HB1 ALA 5 HB1 ALA 5 -4.819 -11.542 -5.056 36 HB2 ALA 5 HB2 ALA 5 -5.467 -13.039 -4.345 37 HB3 ALA 5 HB3 ALA 5 -3.730 -12.906 -4.709 38 H THR 6 HN THR 6 -6.337 -12.567 -1.583 39 HA THR 6 HA THR 6 -8.257 -10.650 -2.128 40 HB THR 6 HB THR 6 -8.032 -11.900 0.599 41 HG1 THR 6 HG1 THR 6 -8.476 -13.828 -0.219 42 HG21 THR 6 3HG2 THR 6 -9.883 -10.341 0.215 43 HG22 THR 6 1HG2 THR 6 -10.481 -12.005 0.410 44 HG23 THR 6 2HG2 THR 6 -10.381 -11.281 -1.212 45 H CYS 7 HN CYS 7 -5.568 -10.533 0.099 46 HA CYS 7 HA CYS 7 -6.292 -8.488 1.796 47 HB2 CYS 7 HB1 CYS 7 -3.709 -9.470 0.690 48 HB3 CYS 7 HB2 CYS 7 -3.704 -7.885 1.501 49 H ALA 8 HN ALA 8 -5.352 -8.319 -1.562 50 HA ALA 8 HA ALA 8 -4.621 -5.719 -1.929 51 HB1 ALA 8 HB1 ALA 8 -5.605 -5.858 -4.180 52 HB2 ALA 8 HB2 ALA 8 -6.480 -7.328 -3.690 53 HB3 ALA 8 HB3 ALA 8 -4.702 -7.330 -3.749 54 H THR 9 HN THR 9 -7.900 -6.957 -1.477 55 HA THR 9 HA THR 9 -9.314 -4.606 -2.014 56 HB THR 9 HB THR 9 -10.364 -6.301 0.174 57 HG1 THR 9 HG1 THR 9 -9.683 -8.045 -0.863 58 HG21 THR 9 3HG2 THR 9 -11.745 -4.605 -0.930 59 HG22 THR 9 1HG2 THR 9 -12.387 -6.239 -1.224 60 HG23 THR 9 2HG2 THR 9 -11.472 -5.400 -2.499 61 H GLN 10 HN GLN 10 -7.956 -5.819 1.033 62 HA GLN 10 HA GLN 10 -8.919 -3.728 2.661 63 HB2 GLN 10 HB1 GLN 10 -7.315 -6.061 2.970 64 HB3 GLN 10 HB2 GLN 10 -6.430 -4.690 3.682 65 HG2 GLN 10 HG1 GLN 10 -7.643 -5.031 5.515 66 HG3 GLN 10 HG2 GLN 10 -9.014 -4.343 4.610 67 HE21 GLN 10 1HE2 GLN 10 -9.190 -6.239 6.713 68 HE22 GLN 10 2HE2 GLN 10 -9.875 -7.686 6.062 69 H ARG 11 HN ARG 11 -5.713 -4.238 1.190 70 HA ARG 11 HA ARG 11 -4.500 -1.901 2.067 71 HB2 ARG 11 HB1 ARG 11 -3.984 -3.946 0.087 72 HB3 ARG 11 HB2 ARG 11 -3.517 -2.342 -0.529 73 HG2 ARG 11 HG1 ARG 11 -1.849 -2.079 1.017 74 HG3 ARG 11 HG2 ARG 11 -2.658 -3.100 2.230 75 HD2 ARG 11 HD1 ARG 11 -1.392 -4.827 1.613 76 HD3 ARG 11 HD2 ARG 11 -2.080 -4.738 -0.027 77 HE ARG 11 HE ARG 11 -0.005 -2.819 0.349 78 HH11 ARG 11 1HH1 ARG 11 -0.602 -6.197 -0.236 79 HH12 ARG 11 2HH1 ARG 11 0.909 -6.460 -1.040 80 HH21 ARG 11 1HH2 ARG 11 1.989 -3.151 -0.709 81 HH22 ARG 11 2HH2 ARG 11 2.383 -4.725 -1.309 82 H LEU 12 HN LEU 12 -5.883 -2.415 -1.183 83 HA LEU 12 HA LEU 12 -5.744 0.150 -2.130 84 HB2 LEU 12 HB1 LEU 12 -6.890 -2.212 -2.971 85 HB3 LEU 12 HB2 LEU 12 -8.290 -1.127 -2.797 86 HG LEU 12 HG LEU 12 -7.273 0.451 -4.354 87 HD11 LEU 12 1HD1 LEU 12 -5.233 -0.123 -5.580 88 HD12 LEU 12 2HD1 LEU 12 -5.036 -1.571 -4.566 89 HD13 LEU 12 3HD1 LEU 12 -4.925 0.048 -3.836 90 HD21 LEU 12 3HD2 LEU 12 -7.318 -2.386 -5.407 91 HD22 LEU 12 1HD2 LEU 12 -7.427 -0.906 -6.390 92 HD23 LEU 12 2HD2 LEU 12 -8.722 -1.306 -5.236 93 H ALA 13 HN ALA 13 -8.578 -1.263 -0.485 94 HA ALA 13 HA ALA 13 -10.185 0.962 -0.362 95 HB1 ALA 13 HB1 ALA 13 -11.228 -0.046 1.627 96 HB2 ALA 13 HB2 ALA 13 -9.858 -1.175 1.756 97 HB3 ALA 13 HB3 ALA 13 -10.938 -1.243 0.343 98 H ASN 14 HN ASN 14 -7.445 0.137 1.688 99 HA ASN 14 HA ASN 14 -7.865 2.199 3.600 100 HB2 ASN 14 HB1 ASN 14 -6.173 0.006 3.365 101 HB3 ASN 14 HB2 ASN 14 -5.076 1.404 3.262 102 HD21 ASN 14 1HD2 ASN 14 -4.275 1.960 5.145 103 HD22 ASN 14 2HD2 ASN 14 -5.064 1.846 6.676 104 H PHE 15 HN PHE 15 -6.050 1.969 0.594 105 HA PHE 15 HA PHE 15 -4.763 4.511 0.897 106 HB2 PHE 15 HB1 PHE 15 -3.551 3.090 -0.475 107 HB3 PHE 15 HB2 PHE 15 -5.009 2.484 -1.298 108 HD1 PHE 15 HD2 PHE 15 -2.911 5.548 -0.927 109 HD2 PHE 15 HD1 PHE 15 -5.596 3.330 -3.376 110 HE1 PHE 15 HE2 PHE 15 -2.524 7.124 -2.775 111 HE2 PHE 15 HE1 PHE 15 -5.210 4.903 -5.229 112 HZ PHE 15 HZ PHE 15 -3.672 6.804 -4.928 113 H LEU 16 HN LEU 16 -7.825 3.434 -0.237 114 HA LEU 16 HA LEU 16 -8.361 5.780 -1.835 115 HB2 LEU 16 HB1 LEU 16 -9.806 3.284 -1.109 116 HB3 LEU 16 HB2 LEU 16 -10.788 4.699 -1.558 117 HG LEU 16 HG LEU 16 -9.426 4.784 -3.699 118 HD11 LEU 16 1HD1 LEU 16 -8.342 2.702 -4.398 119 HD12 LEU 16 2HD1 LEU 16 -8.634 2.012 -2.783 120 HD13 LEU 16 3HD1 LEU 16 -7.546 3.408 -2.972 121 HD21 LEU 16 3HD2 LEU 16 -11.146 2.351 -3.169 122 HD22 LEU 16 1HD2 LEU 16 -10.757 3.026 -4.769 123 HD23 LEU 16 2HD2 LEU 16 -11.728 3.972 -3.616 124 H VAL 17 HN VAL 17 -9.244 4.542 1.353 125 HA VAL 17 HA VAL 17 -10.976 6.759 1.949 126 HB VAL 17 HB VAL 17 -11.442 4.640 3.002 127 HG11 VAL 17 1HG1 VAL 17 -9.916 3.634 4.645 128 HG12 VAL 17 2HG1 VAL 17 -8.709 4.888 4.275 129 HG13 VAL 17 3HG1 VAL 17 -9.186 3.716 3.024 130 HG21 VAL 17 3HG2 VAL 17 -10.424 6.656 5.019 131 HG22 VAL 17 1HG2 VAL 17 -11.562 5.332 5.361 132 HG23 VAL 17 2HG2 VAL 17 -12.033 6.648 4.259 133 H HIS 18 HN HIS 18 -7.619 5.948 2.464 134 HA HIS 18 HA HIS 18 -7.248 8.338 4.123 135 HB2 HIS 18 HB1 HIS 18 -5.411 6.004 3.537 136 HB3 HIS 18 HB2 HIS 18 -4.961 7.417 4.523 137 HD1 HIS 18 HD1 HIS 18 -6.116 7.637 6.858 138 HD2 HIS 18 HD2 HIS 18 -7.014 4.126 4.826 139 HE1 HIS 18 HE1 HIS 18 -7.166 6.121 8.567 140 H SER 19 HN SER 19 -7.736 9.480 1.982 141 HA SER 19 HA SER 19 -6.076 9.499 -0.211 142 HB2 SER 19 HB1 SER 19 -7.071 11.497 -0.816 143 HB3 SER 19 HB2 SER 19 -8.244 10.888 0.377 144 HG SER 19 HG SER 19 -7.439 12.290 1.878 145 H SER 20 HN SER 20 -5.528 10.866 2.956 146 HA SER 20 HA SER 20 -3.463 12.637 2.448 147 HB2 SER 20 HB1 SER 20 -4.700 11.830 4.692 148 HB3 SER 20 HB2 SER 20 -3.190 10.900 4.856 149 HG SER 20 HG SER 20 -3.071 13.007 5.808 150 H ASN 21 HN ASN 21 -3.331 9.129 2.889 151 HA ASN 21 HA ASN 21 -0.615 8.715 2.997 152 HB2 ASN 21 HB1 ASN 21 -2.892 7.116 1.880 153 HB3 ASN 21 HB2 ASN 21 -1.223 6.550 1.628 154 HD21 ASN 21 1HD2 ASN 21 -0.233 5.499 3.230 155 HD22 ASN 21 2HD2 ASN 21 -0.859 5.294 4.827 156 H ASN 22 HN ASN 22 -2.587 9.565 0.243 157 HA ASN 22 HA ASN 22 -0.943 8.890 -1.870 158 HB2 ASN 22 HB1 ASN 22 -3.201 9.782 -2.171 159 HB3 ASN 22 HB2 ASN 22 -2.663 11.368 -1.568 160 HD21 ASN 22 1HD2 ASN 22 -1.071 9.117 -3.795 161 HD22 ASN 22 2HD2 ASN 22 -1.007 10.209 -5.133 162 H PHE 23 HN PHE 23 -0.836 11.779 0.174 163 HA PHE 23 HA PHE 23 1.496 12.791 -1.226 164 HB2 PHE 23 HB1 PHE 23 -0.571 13.996 0.146 165 HB3 PHE 23 HB2 PHE 23 0.783 14.101 1.297 166 HD1 PHE 23 HD2 PHE 23 3.083 14.491 -0.435 167 HD2 PHE 23 HD1 PHE 23 -0.838 16.118 -0.744 168 HE1 PHE 23 HE2 PHE 23 3.984 16.422 -1.665 169 HE2 PHE 23 HE1 PHE 23 0.057 18.050 -1.976 170 HZ PHE 23 HZ PHE 23 2.471 18.206 -2.437 171 H GLY 24 HN GLY 24 0.688 11.578 2.014 172 HA2 GLY 24 HA1 GLY 24 3.188 11.869 3.205 173 HA3 GLY 24 HA2 GLY 24 2.004 10.649 3.649 174 H ALA 25 HN ALA 25 2.134 9.577 0.831 175 HA ALA 25 HA ALA 25 3.876 7.462 1.261 176 HB1 ALA 25 HB1 ALA 25 3.627 6.963 -1.138 177 HB2 ALA 25 HB2 ALA 25 2.896 8.568 -1.380 178 HB3 ALA 25 HB3 ALA 25 2.071 7.358 -0.368 179 H ILE 26 HN ILE 26 4.491 10.629 -0.048 180 HA ILE 26 HA ILE 26 7.078 9.943 -1.121 181 HB ILE 26 HB ILE 26 5.838 12.656 -0.639 182 HG12 ILE 26 1HG1 ILE 26 5.938 12.307 -3.341 183 HG13 ILE 26 2HG1 ILE 26 5.617 10.645 -2.790 184 HG21 ILE 26 1HG2 ILE 26 7.552 13.491 -2.190 185 HG22 ILE 26 2HG2 ILE 26 8.272 11.864 -2.251 186 HG23 ILE 26 3HG2 ILE 26 8.269 12.780 -0.725 187 HD11 ILE 26 3HD1 ILE 26 3.642 11.431 -1.568 188 HD12 ILE 26 1HD1 ILE 26 3.541 11.830 -3.299 189 HD13 ILE 26 2HD1 ILE 26 3.963 13.093 -2.119 190 H LEU 27 HN LEU 27 5.797 11.042 1.896 191 HA LEU 27 HA LEU 27 8.346 11.979 2.897 192 HB2 LEU 27 HB1 LEU 27 5.587 12.203 3.649 193 HB3 LEU 27 HB2 LEU 27 6.531 11.592 5.029 194 HG LEU 27 HG LEU 27 7.710 13.919 3.667 195 HD11 LEU 27 1HD1 LEU 27 6.154 15.527 4.665 196 HD12 LEU 27 2HD1 LEU 27 5.102 14.185 5.175 197 HD13 LEU 27 3HD1 LEU 27 5.354 14.510 3.443 198 HD21 LEU 27 3HD2 LEU 27 7.061 13.265 6.549 199 HD22 LEU 27 1HD2 LEU 27 8.039 14.641 5.987 200 HD23 LEU 27 2HD2 LEU 27 8.615 12.977 5.731 201 H SER 28 HN SER 28 6.226 9.185 3.324 202 HA SER 28 HA SER 28 8.064 7.951 5.201 203 HB2 SER 28 HB1 SER 28 6.427 6.161 5.361 204 HB3 SER 28 HB2 SER 28 5.599 7.733 5.481 205 HG SER 28 HG SER 28 4.478 6.407 4.044 206 H SER 29 HN SER 29 7.063 7.607 1.848 207 HA SER 29 HA SER 29 7.914 6.424 0.101 208 HB2 SER 29 HB1 SER 29 10.205 6.432 -0.136 209 HB3 SER 29 HB2 SER 29 10.027 7.609 1.188 210 HG SER 29 HG SER 29 10.785 4.877 1.341 211 H THR 30 HN THR 30 6.616 5.038 2.381 212 HA THR 30 HA THR 30 7.914 2.520 2.738 213 HB THR 30 HB THR 30 6.327 3.382 4.402 214 HG1 THR 30 HG1 THR 30 6.639 1.088 4.165 215 HG21 THR 30 3HG2 THR 30 4.742 4.475 2.888 216 HG22 THR 30 1HG2 THR 30 3.909 3.325 3.961 217 HG23 THR 30 2HG2 THR 30 4.235 2.885 2.267 218 H ASN 31 HN ASN 31 5.680 3.828 0.415 219 HA ASN 31 HA ASN 31 5.415 1.168 -0.821 220 HB2 ASN 31 HB1 ASN 31 3.632 3.609 -0.976 221 HB3 ASN 31 HB2 ASN 31 3.442 2.185 -2.028 222 HD21 ASN 31 1HD2 ASN 31 1.937 3.525 0.342 223 HD22 ASN 31 2HD2 ASN 31 1.488 2.173 1.319 224 H VAL 32 HN VAL 32 6.381 4.482 -1.299 225 HA VAL 32 HA VAL 32 6.812 4.136 -4.146 226 HB VAL 32 HB VAL 32 7.518 6.453 -2.337 227 HG11 VAL 32 1HG1 VAL 32 7.790 7.733 -4.420 228 HG12 VAL 32 2HG1 VAL 32 7.514 6.245 -5.357 229 HG13 VAL 32 3HG1 VAL 32 8.948 6.386 -4.311 230 HG21 VAL 32 3HG2 VAL 32 5.201 6.061 -4.246 231 HG22 VAL 32 1HG2 VAL 32 5.568 7.556 -3.353 232 HG23 VAL 32 2HG2 VAL 32 5.110 6.081 -2.469 233 H GLY 33 HN GLY 33 8.962 5.252 -1.521 234 HA2 GLY 33 HA1 GLY 33 11.350 4.743 -2.895 235 HA3 GLY 33 HA2 GLY 33 11.200 4.902 -1.151 236 H SER 34 HN SER 34 9.558 2.713 -0.608 237 HA SER 34 HA SER 34 11.382 0.662 -0.286 238 HB2 SER 34 HB1 SER 34 9.223 0.895 0.949 239 HB3 SER 34 HB2 SER 34 8.375 0.331 -0.512 240 HG SER 34 HG SER 34 9.391 -1.156 1.386 241 H ASN 35 HN ASN 35 9.314 1.383 -3.000 242 HA ASN 35 HA ASN 35 9.259 -1.026 -4.347 243 HB2 ASN 35 HB1 ASN 35 8.242 1.326 -4.925 244 HB3 ASN 35 HB2 ASN 35 9.736 1.513 -5.876 245 HD21 ASN 35 1HD2 ASN 35 8.720 1.493 -7.847 246 HD22 ASN 35 2HD2 ASN 35 7.969 0.086 -8.514 247 H THR 36 HN THR 36 11.953 0.913 -3.615 248 HA THR 36 HA THR 36 13.624 -0.704 -5.426 249 HB THR 36 HB THR 36 14.907 1.797 -4.821 250 HG1 THR 36 HG1 THR 36 12.231 1.906 -5.645 251 HG21 THR 36 3HG2 THR 36 15.504 0.315 -6.677 252 HG22 THR 36 1HG2 THR 36 15.073 1.936 -7.272 253 HG23 THR 36 2HG2 THR 36 13.911 0.596 -7.419 254 H TYR 37 HN TYR 37 13.403 1.095 -2.399 255 HA TYR 37 HA TYR 37 15.815 -0.277 -1.430 256 HB2 TYR 37 HB1 TYR 37 14.376 2.007 -0.077 257 HB3 TYR 37 HB2 TYR 37 16.027 1.415 0.227 258 HD1 TYR 37 HD2 TYR 37 17.061 1.195 -2.540 259 HD2 TYR 37 HD1 TYR 37 14.691 4.234 -0.736 260 HE1 TYR 37 HE2 TYR 37 17.948 2.833 -4.147 261 HE2 TYR 37 HE1 TYR 37 15.571 5.880 -2.340 262 HH TYR 37 HH TYR 37 17.388 4.962 -5.102 263 HN1 NH2 38 HN1 NH2 37 12.327 0.772 -0.119 264 HN2 NH2 38 HN2 NH2 37 12.175 -0.726 0.961 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 5.052 -7.065 4.458 2 H2 LYS 1 HT2 LYS 1 4.982 -8.274 3.199 3 H3 LYS 1 HT3 LYS 1 4.518 -8.686 4.832 4 HA LYS 1 HA LYS 1 2.687 -7.187 4.716 5 HB2 LYS 1 HB1 LYS 1 3.381 -6.798 1.799 6 HB3 LYS 1 HB2 LYS 1 2.100 -5.988 2.733 7 HG2 LYS 1 HG1 LYS 1 3.509 -4.322 3.138 8 HG3 LYS 1 HG2 LYS 1 4.524 -5.447 4.073 9 HD2 LYS 1 HD1 LYS 1 5.254 -6.082 1.525 10 HD3 LYS 1 HD2 LYS 1 4.898 -4.346 1.353 11 HE2 LYS 1 HE1 LYS 1 6.595 -5.338 3.635 12 HE3 LYS 1 HE2 LYS 1 7.303 -5.106 2.018 13 HZ1 LYS 1 HZ1 LYS 1 5.744 -2.852 2.753 14 HZ2 LYS 1 HZ2 LYS 1 7.387 -2.932 2.365 15 HZ3 LYS 1 HZ3 LYS 1 6.883 -3.180 3.961 16 H CYS 2 HN CYS 2 0.820 -7.518 2.776 17 HA CYS 2 HA CYS 2 0.331 -10.342 2.909 18 HB2 CYS 2 HB1 CYS 2 -1.180 -7.931 2.355 19 HB3 CYS 2 HB2 CYS 2 -1.556 -9.211 1.177 20 H ASN 3 HN ASN 3 0.032 -8.238 0.057 21 HA ASN 3 HA ASN 3 0.446 -8.627 -2.150 22 HB2 ASN 3 HB1 ASN 3 2.776 -8.440 -1.110 23 HB3 ASN 3 HB2 ASN 3 2.839 -10.216 -1.212 24 HD21 ASN 3 1HD2 ASN 3 4.041 -10.796 -2.865 25 HD22 ASN 3 2HD2 ASN 3 4.038 -10.081 -4.439 26 H THR 4 HN THR 4 -1.299 -10.490 -0.888 27 HA THR 4 HA THR 4 -0.620 -13.045 -2.158 28 HB THR 4 HB THR 4 -2.725 -13.829 -0.906 29 HG1 THR 4 HG1 THR 4 -3.031 -12.428 1.027 30 HG21 THR 4 3HG2 THR 4 -0.452 -14.431 -0.221 31 HG22 THR 4 1HG2 THR 4 -1.483 -14.123 1.197 32 HG23 THR 4 2HG2 THR 4 -0.310 -12.895 0.667 33 H ALA 5 HN ALA 5 -3.726 -11.395 -1.612 34 HA ALA 5 HA ALA 5 -4.315 -10.866 -4.299 35 HB1 ALA 5 HB1 ALA 5 -5.940 -12.647 -4.791 36 HB2 ALA 5 HB2 ALA 5 -5.478 -13.467 -3.281 37 HB3 ALA 5 HB3 ALA 5 -4.289 -13.281 -4.593 38 H THR 6 HN THR 6 -6.379 -12.446 -1.873 39 HA THR 6 HA THR 6 -8.511 -10.691 -2.080 40 HB THR 6 HB THR 6 -9.265 -11.520 0.100 41 HG1 THR 6 HG1 THR 6 -6.641 -12.625 0.235 42 HG21 THR 6 3HG2 THR 6 -9.589 -12.945 -1.866 43 HG22 THR 6 1HG2 THR 6 -9.287 -13.926 -0.413 44 HG23 THR 6 2HG2 THR 6 -7.988 -13.677 -1.603 45 H CYS 7 HN CYS 7 -5.651 -10.506 -0.024 46 HA CYS 7 HA CYS 7 -6.358 -8.491 1.712 47 HB2 CYS 7 HB1 CYS 7 -3.953 -9.750 0.853 48 HB3 CYS 7 HB2 CYS 7 -3.680 -7.990 0.849 49 H ALA 8 HN ALA 8 -5.540 -8.276 -1.677 50 HA ALA 8 HA ALA 8 -4.882 -5.665 -2.063 51 HB1 ALA 8 HB1 ALA 8 -5.971 -5.806 -4.265 52 HB2 ALA 8 HB2 ALA 8 -6.804 -7.289 -3.742 53 HB3 ALA 8 HB3 ALA 8 -5.030 -7.268 -3.888 54 H THR 9 HN THR 9 -8.118 -6.952 -1.465 55 HA THR 9 HA THR 9 -9.597 -4.630 -1.920 56 HB THR 9 HB THR 9 -10.484 -6.344 0.329 57 HG1 THR 9 HG1 THR 9 -10.408 -7.369 -2.326 58 HG21 THR 9 3HG2 THR 9 -11.958 -4.662 -0.667 59 HG22 THR 9 1HG2 THR 9 -12.595 -6.302 -0.931 60 HG23 THR 9 2HG2 THR 9 -11.777 -5.441 -2.257 61 H GLN 10 HN GLN 10 -8.111 -5.823 1.081 62 HA GLN 10 HA GLN 10 -8.995 -3.717 2.727 63 HB2 GLN 10 HB1 GLN 10 -7.406 -6.054 3.001 64 HB3 GLN 10 HB2 GLN 10 -6.453 -4.687 3.627 65 HG2 GLN 10 HG1 GLN 10 -7.885 -4.297 5.361 66 HG3 GLN 10 HG2 GLN 10 -9.302 -4.912 4.476 67 HE21 GLN 10 1HE2 GLN 10 -6.301 -5.925 6.055 68 HE22 GLN 10 2HE2 GLN 10 -6.873 -7.478 6.547 69 H ARG 11 HN ARG 11 -5.866 -4.233 1.107 70 HA ARG 11 HA ARG 11 -4.604 -1.899 1.921 71 HB2 ARG 11 HB1 ARG 11 -3.482 -3.763 0.753 72 HB3 ARG 11 HB2 ARG 11 -4.323 -3.304 -0.748 73 HG2 ARG 11 HG1 ARG 11 -3.052 -0.966 0.170 74 HG3 ARG 11 HG2 ARG 11 -1.868 -2.280 0.374 75 HD2 ARG 11 HD1 ARG 11 -2.792 -2.897 -2.078 76 HD3 ARG 11 HD2 ARG 11 -3.061 -1.137 -2.100 77 HE ARG 11 HE ARG 11 -0.429 -1.933 -1.218 78 HH11 ARG 11 1HH1 ARG 11 -2.439 -1.127 -3.944 79 HH12 ARG 11 2HH1 ARG 11 -1.111 -0.663 -4.955 80 HH21 ARG 11 1HH2 ARG 11 1.330 -1.325 -2.539 81 HH22 ARG 11 2HH2 ARG 11 1.034 -0.778 -4.154 82 H LEU 12 HN LEU 12 -6.157 -2.408 -1.254 83 HA LEU 12 HA LEU 12 -6.061 0.153 -2.210 84 HB2 LEU 12 HB1 LEU 12 -7.255 -2.199 -2.989 85 HB3 LEU 12 HB2 LEU 12 -8.647 -1.122 -2.722 86 HG LEU 12 HG LEU 12 -7.735 0.467 -4.331 87 HD11 LEU 12 1HD1 LEU 12 -5.774 -0.095 -5.689 88 HD12 LEU 12 2HD1 LEU 12 -5.509 -1.548 -4.696 89 HD13 LEU 12 3HD1 LEU 12 -5.356 0.069 -3.967 90 HD21 LEU 12 3HD2 LEU 12 -7.839 -2.364 -5.395 91 HD22 LEU 12 1HD2 LEU 12 -8.016 -0.879 -6.361 92 HD23 LEU 12 2HD2 LEU 12 -9.233 -1.290 -5.129 93 H ALA 13 HN ALA 13 -8.818 -1.235 -0.420 94 HA ALA 13 HA ALA 13 -10.393 1.004 -0.207 95 HB1 ALA 13 HB1 ALA 13 -11.338 0.001 1.833 96 HB2 ALA 13 HB2 ALA 13 -9.975 -1.142 1.886 97 HB3 ALA 13 HB3 ALA 13 -11.129 -1.195 0.532 98 H ASN 14 HN ASN 14 -7.562 0.143 1.702 99 HA ASN 14 HA ASN 14 -7.854 2.189 3.646 100 HB2 ASN 14 HB1 ASN 14 -6.243 -0.004 3.388 101 HB3 ASN 14 HB2 ASN 14 -5.103 1.315 3.027 102 HD21 ASN 14 1HD2 ASN 14 -3.985 1.813 4.760 103 HD22 ASN 14 2HD2 ASN 14 -4.586 1.924 6.377 104 H PHE 15 HN PHE 15 -6.203 1.996 0.540 105 HA PHE 15 HA PHE 15 -4.928 4.547 0.792 106 HB2 PHE 15 HB1 PHE 15 -3.774 3.170 -0.661 107 HB3 PHE 15 HB2 PHE 15 -5.265 2.524 -1.389 108 HD1 PHE 15 HD2 PHE 15 -3.288 5.683 -1.129 109 HD2 PHE 15 HD1 PHE 15 -5.938 3.303 -3.458 110 HE1 PHE 15 HE2 PHE 15 -3.054 7.262 -3.001 111 HE2 PHE 15 HE1 PHE 15 -5.709 4.877 -5.334 112 HZ PHE 15 HZ PHE 15 -4.266 6.861 -5.108 113 H LEU 16 HN LEU 16 -8.031 3.446 -0.206 114 HA LEU 16 HA LEU 16 -8.682 5.776 -1.767 115 HB2 LEU 16 HB1 LEU 16 -10.055 3.289 -0.915 116 HB3 LEU 16 HB2 LEU 16 -11.088 4.698 -1.262 117 HG LEU 16 HG LEU 16 -9.887 4.798 -3.517 118 HD11 LEU 16 1HD1 LEU 16 -8.941 2.686 -4.319 119 HD12 LEU 16 2HD1 LEU 16 -9.122 1.992 -2.691 120 HD13 LEU 16 3HD1 LEU 16 -8.004 3.350 -2.960 121 HD21 LEU 16 3HD2 LEU 16 -11.644 2.424 -2.864 122 HD22 LEU 16 1HD2 LEU 16 -11.367 3.101 -4.486 123 HD23 LEU 16 2HD2 LEU 16 -12.202 4.069 -3.248 124 H VAL 17 HN VAL 17 -9.384 4.586 1.490 125 HA VAL 17 HA VAL 17 -11.026 6.848 2.162 126 HB VAL 17 HB VAL 17 -11.496 4.761 3.261 127 HG11 VAL 17 1HG1 VAL 17 -9.903 3.702 4.806 128 HG12 VAL 17 2HG1 VAL 17 -8.678 4.911 4.353 129 HG13 VAL 17 3HG1 VAL 17 -9.278 3.755 3.140 130 HG21 VAL 17 3HG2 VAL 17 -10.279 6.740 5.200 131 HG22 VAL 17 1HG2 VAL 17 -11.439 5.458 5.619 132 HG23 VAL 17 2HG2 VAL 17 -11.933 6.788 4.546 133 H HIS 18 HN HIS 18 -7.666 5.967 2.473 134 HA HIS 18 HA HIS 18 -7.148 8.376 4.071 135 HB2 HIS 18 HB1 HIS 18 -5.398 5.977 3.485 136 HB3 HIS 18 HB2 HIS 18 -4.897 7.391 4.444 137 HD1 HIS 18 HD1 HIS 18 -6.048 7.683 6.789 138 HD2 HIS 18 HD2 HIS 18 -6.964 4.130 4.839 139 HE1 HIS 18 HE1 HIS 18 -7.082 6.201 8.540 140 H SER 19 HN SER 19 -7.686 9.447 1.896 141 HA SER 19 HA SER 19 -6.072 9.333 -0.338 142 HB2 SER 19 HB1 SER 19 -7.965 11.233 0.810 143 HB3 SER 19 HB2 SER 19 -6.660 12.047 -0.087 144 HG SER 19 HG SER 19 -8.056 9.834 -1.177 145 H SER 20 HN SER 20 -5.429 10.770 2.764 146 HA SER 20 HA SER 20 -3.371 12.528 2.136 147 HB2 SER 20 HB1 SER 20 -4.503 11.428 4.488 148 HB3 SER 20 HB2 SER 20 -2.747 11.155 4.590 149 HG SER 20 HG SER 20 -2.784 13.540 3.817 150 H ASN 21 HN ASN 21 -3.347 9.037 2.455 151 HA ASN 21 HA ASN 21 -0.656 8.499 2.685 152 HB2 ASN 21 HB1 ASN 21 -2.928 7.072 1.343 153 HB3 ASN 21 HB2 ASN 21 -1.271 6.449 1.159 154 HD21 ASN 21 1HD2 ASN 21 -0.153 6.834 3.555 155 HD22 ASN 21 2HD2 ASN 21 -0.990 5.955 4.786 156 H ASN 22 HN ASN 22 -2.434 9.628 -0.097 157 HA ASN 22 HA ASN 22 -0.628 9.011 -2.132 158 HB2 ASN 22 HB1 ASN 22 -2.739 9.783 -2.820 159 HB3 ASN 22 HB2 ASN 22 -2.645 11.221 -1.775 160 HD21 ASN 22 1HD2 ASN 22 -1.328 12.957 -2.415 161 HD22 ASN 22 2HD2 ASN 22 -0.842 13.169 -4.061 162 H PHE 23 HN PHE 23 -0.749 11.778 0.064 163 HA PHE 23 HA PHE 23 1.614 12.958 -1.139 164 HB2 PHE 23 HB1 PHE 23 -0.193 14.425 -0.388 165 HB3 PHE 23 HB2 PHE 23 -0.024 13.793 1.268 166 HD1 PHE 23 HD2 PHE 23 2.559 14.868 -1.208 167 HD2 PHE 23 HD1 PHE 23 0.723 15.553 2.571 168 HE1 PHE 23 HE2 PHE 23 4.229 16.605 -0.717 169 HE2 PHE 23 HE1 PHE 23 2.391 17.294 3.069 170 HZ PHE 23 HZ PHE 23 4.148 17.821 1.424 171 H GLY 24 HN GLY 24 0.682 11.607 2.019 172 HA2 GLY 24 HA1 GLY 24 3.152 11.865 3.292 173 HA3 GLY 24 HA2 GLY 24 1.939 10.655 3.686 174 H ALA 25 HN ALA 25 2.133 9.615 0.862 175 HA ALA 25 HA ALA 25 3.840 7.475 1.312 176 HB1 ALA 25 HB1 ALA 25 3.649 7.007 -1.097 177 HB2 ALA 25 HB2 ALA 25 2.942 8.622 -1.340 178 HB3 ALA 25 HB3 ALA 25 2.079 7.410 -0.364 179 H ILE 26 HN ILE 26 4.530 10.657 0.093 180 HA ILE 26 HA ILE 26 7.130 9.957 -0.943 181 HB ILE 26 HB ILE 26 5.909 12.673 -0.431 182 HG12 ILE 26 1HG1 ILE 26 6.091 12.383 -3.138 183 HG13 ILE 26 2HG1 ILE 26 5.731 10.714 -2.633 184 HG21 ILE 26 1HG2 ILE 26 7.679 13.528 -1.909 185 HG22 ILE 26 2HG2 ILE 26 8.385 11.896 -1.985 186 HG23 ILE 26 3HG2 ILE 26 8.343 12.776 -0.439 187 HD11 ILE 26 3HD1 ILE 26 3.729 11.502 -1.455 188 HD12 ILE 26 1HD1 ILE 26 3.686 11.939 -3.179 189 HD13 ILE 26 2HD1 ILE 26 4.088 13.171 -1.959 190 H LEU 27 HN LEU 27 5.797 11.032 2.065 191 HA LEU 27 HA LEU 27 8.301 11.951 3.152 192 HB2 LEU 27 HB1 LEU 27 5.515 11.989 3.902 193 HB3 LEU 27 HB2 LEU 27 6.518 11.418 5.258 194 HG LEU 27 HG LEU 27 7.567 13.827 3.964 195 HD11 LEU 27 1HD1 LEU 27 5.882 15.343 4.890 196 HD12 LEU 27 2HD1 LEU 27 4.881 13.945 5.347 197 HD13 LEU 27 3HD1 LEU 27 5.196 14.290 3.630 198 HD21 LEU 27 3HD2 LEU 27 6.818 13.125 6.812 199 HD22 LEU 27 1HD2 LEU 27 7.747 14.554 6.299 200 HD23 LEU 27 2HD2 LEU 27 8.423 12.924 6.068 201 H SER 28 HN SER 28 6.285 9.062 3.409 202 HA SER 28 HA SER 28 8.143 7.803 5.247 203 HB2 SER 28 HB1 SER 28 6.535 5.820 4.934 204 HB3 SER 28 HB2 SER 28 5.893 7.277 5.730 205 HG SER 28 HG SER 28 4.466 7.333 4.195 206 H SER 29 HN SER 29 7.126 7.499 1.882 207 HA SER 29 HA SER 29 7.985 6.353 0.112 208 HB2 SER 29 HB1 SER 29 10.271 6.588 -0.245 209 HB3 SER 29 HB2 SER 29 9.957 7.855 0.965 210 HG SER 29 HG SER 29 11.781 6.193 1.256 211 H THR 30 HN THR 30 6.920 4.811 2.321 212 HA THR 30 HA THR 30 8.622 2.467 2.527 213 HB THR 30 HB THR 30 7.277 3.253 4.474 214 HG1 THR 30 HG1 THR 30 6.694 0.646 3.471 215 HG21 THR 30 3HG2 THR 30 5.266 3.967 3.269 216 HG22 THR 30 1HG2 THR 30 4.865 2.766 4.521 217 HG23 THR 30 2HG2 THR 30 4.937 2.279 2.811 218 H ASN 31 HN ASN 31 5.883 3.567 0.704 219 HA ASN 31 HA ASN 31 5.477 0.872 -0.396 220 HB2 ASN 31 HB1 ASN 31 3.345 1.700 -1.259 221 HB3 ASN 31 HB2 ASN 31 3.470 1.982 0.495 222 HD21 ASN 31 1HD2 ASN 31 2.699 3.350 -2.436 223 HD22 ASN 31 2HD2 ASN 31 2.765 5.018 -1.987 224 H VAL 32 HN VAL 32 6.437 4.125 -1.194 225 HA VAL 32 HA VAL 32 6.678 3.408 -4.030 226 HB VAL 32 HB VAL 32 5.500 5.500 -3.589 227 HG11 VAL 32 1HG1 VAL 32 6.667 7.427 -2.609 228 HG12 VAL 32 2HG1 VAL 32 8.076 6.392 -2.277 229 HG13 VAL 32 3HG1 VAL 32 6.528 6.079 -1.456 230 HG21 VAL 32 3HG2 VAL 32 8.239 5.929 -4.803 231 HG22 VAL 32 1HG2 VAL 32 6.825 6.984 -5.035 232 HG23 VAL 32 2HG2 VAL 32 6.798 5.312 -5.646 233 H GLY 33 HN GLY 33 8.532 4.419 -1.223 234 HA2 GLY 33 HA1 GLY 33 11.000 4.674 -2.697 235 HA3 GLY 33 HA2 GLY 33 10.810 4.769 -0.953 236 H SER 34 HN SER 34 9.884 2.442 -0.147 237 HA SER 34 HA SER 34 12.062 0.726 -0.186 238 HB2 SER 34 HB1 SER 34 9.576 0.816 1.098 239 HB3 SER 34 HB2 SER 34 9.578 -0.734 0.221 240 HG SER 34 HG SER 34 11.210 -1.432 1.430 241 H ASN 35 HN ASN 35 9.406 1.000 -2.406 242 HA ASN 35 HA ASN 35 9.377 -1.478 -3.622 243 HB2 ASN 35 HB1 ASN 35 8.111 0.875 -4.076 244 HB3 ASN 35 HB2 ASN 35 9.230 0.844 -5.460 245 HD21 ASN 35 1HD2 ASN 35 6.205 0.367 -4.931 246 HD22 ASN 35 2HD2 ASN 35 5.870 -1.040 -5.876 247 H THR 36 HN THR 36 11.904 0.795 -3.541 248 HA THR 36 HA THR 36 13.444 -0.834 -5.426 249 HB THR 36 HB THR 36 14.423 1.707 -5.910 250 HG1 THR 36 HG1 THR 36 11.573 1.800 -6.006 251 HG21 THR 36 3HG2 THR 36 14.164 -0.088 -7.558 252 HG22 THR 36 1HG2 THR 36 13.443 1.428 -8.148 253 HG23 THR 36 2HG2 THR 36 12.398 0.131 -7.523 254 H TYR 37 HN TYR 37 13.678 1.992 -3.260 255 HA TYR 37 HA TYR 37 16.187 0.851 -2.213 256 HB2 TYR 37 HB1 TYR 37 15.362 3.728 -2.619 257 HB3 TYR 37 HB2 TYR 37 16.732 3.256 -1.584 258 HD1 TYR 37 HD1 TYR 37 15.477 3.368 -5.056 259 HD2 TYR 37 HD2 TYR 37 18.806 2.506 -2.551 260 HE1 TYR 37 HE1 TYR 37 16.941 3.312 -7.031 261 HE2 TYR 37 HE2 TYR 37 20.280 2.449 -4.518 262 HH TYR 37 HH TYR 37 20.437 2.918 -6.715 263 HN1 NH2 38 HN1 NH2 37 14.753 3.907 -0.604 264 HN2 NH2 38 HN2 NH2 37 14.127 3.013 0.894 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 4.130 -6.831 4.754 2 H2 LYS 1 HT2 LYS 1 3.702 -7.914 3.451 3 H3 LYS 1 HT3 LYS 1 3.738 -8.498 5.097 4 HA LYS 1 HA LYS 1 1.944 -7.060 5.673 5 HB2 LYS 1 HB1 LYS 1 2.648 -5.829 3.169 6 HB3 LYS 1 HB2 LYS 1 0.934 -6.308 3.141 7 HG2 LYS 1 HG1 LYS 1 1.181 -5.149 5.620 8 HG3 LYS 1 HG2 LYS 1 2.281 -4.165 4.625 9 HD2 LYS 1 HD1 LYS 1 0.464 -3.817 2.989 10 HD3 LYS 1 HD2 LYS 1 -0.632 -4.764 4.024 11 HE2 LYS 1 HE1 LYS 1 -1.169 -2.829 5.011 12 HE3 LYS 1 HE2 LYS 1 0.447 -2.878 5.757 13 HZ1 LYS 1 HZ1 LYS 1 0.703 -1.851 3.162 14 HZ2 LYS 1 HZ2 LYS 1 0.969 -1.061 4.634 15 HZ3 LYS 1 HZ3 LYS 1 -0.562 -1.020 3.917 16 H CYS 2 HN CYS 2 1.860 -8.375 2.353 17 HA CYS 2 HA CYS 2 0.596 -10.792 3.106 18 HB2 CYS 2 HB1 CYS 2 -1.339 -9.435 3.551 19 HB3 CYS 2 HB2 CYS 2 -1.171 -8.610 1.982 20 H ASN 3 HN ASN 3 0.084 -8.586 0.352 21 HA ASN 3 HA ASN 3 0.391 -8.876 -1.887 22 HB2 ASN 3 HB1 ASN 3 2.779 -8.768 -0.894 23 HB3 ASN 3 HB2 ASN 3 2.824 -10.520 -1.207 24 HD21 ASN 3 1HD2 ASN 3 3.207 -11.222 -3.222 25 HD22 ASN 3 2HD2 ASN 3 3.410 -10.204 -4.603 26 H THR 4 HN THR 4 -1.481 -10.572 -1.081 27 HA THR 4 HA THR 4 -0.782 -13.167 -2.291 28 HB THR 4 HB THR 4 -2.998 -12.536 -0.330 29 HG1 THR 4 HG1 THR 4 -1.716 -13.870 1.054 30 HG21 THR 4 3HG2 THR 4 -3.663 -14.284 -1.912 31 HG22 THR 4 1HG2 THR 4 -3.385 -14.964 -0.291 32 HG23 THR 4 2HG2 THR 4 -2.161 -15.174 -1.566 33 H ALA 5 HN ALA 5 -3.858 -11.471 -1.721 34 HA ALA 5 HA ALA 5 -4.393 -10.836 -4.402 35 HB1 ALA 5 HB1 ALA 5 -6.067 -12.550 -4.964 36 HB2 ALA 5 HB2 ALA 5 -5.648 -13.427 -3.474 37 HB3 ALA 5 HB3 ALA 5 -4.439 -13.241 -4.766 38 H THR 6 HN THR 6 -6.537 -12.420 -2.049 39 HA THR 6 HA THR 6 -8.620 -10.615 -2.225 40 HB THR 6 HB THR 6 -9.296 -11.411 0.057 41 HG1 THR 6 HG1 THR 6 -7.346 -11.816 1.039 42 HG21 THR 6 3HG2 THR 6 -9.973 -12.628 -1.958 43 HG22 THR 6 1HG2 THR 6 -9.654 -13.751 -0.614 44 HG23 THR 6 2HG2 THR 6 -8.453 -13.554 -1.913 45 H CYS 7 HN CYS 7 -5.723 -10.475 -0.238 46 HA CYS 7 HA CYS 7 -6.376 -8.502 1.568 47 HB2 CYS 7 HB1 CYS 7 -3.769 -9.012 0.123 48 HB3 CYS 7 HB2 CYS 7 -3.936 -7.867 1.477 49 H ALA 8 HN ALA 8 -5.682 -8.206 -1.841 50 HA ALA 8 HA ALA 8 -5.049 -5.584 -2.190 51 HB1 ALA 8 HB1 ALA 8 -6.218 -5.677 -4.354 52 HB2 ALA 8 HB2 ALA 8 -7.024 -7.177 -3.836 53 HB3 ALA 8 HB3 ALA 8 -5.257 -7.143 -4.047 54 H THR 9 HN THR 9 -8.257 -6.901 -1.507 55 HA THR 9 HA THR 9 -9.761 -4.575 -1.853 56 HB THR 9 HB THR 9 -10.557 -6.347 0.386 57 HG1 THR 9 HG1 THR 9 -10.581 -7.310 -2.292 58 HG21 THR 9 3HG2 THR 9 -12.074 -4.649 -0.518 59 HG22 THR 9 1HG2 THR 9 -12.713 -6.286 -0.796 60 HG23 THR 9 2HG2 THR 9 -11.948 -5.390 -2.131 61 H GLN 10 HN GLN 10 -8.161 -5.831 1.062 62 HA GLN 10 HA GLN 10 -8.996 -3.766 2.788 63 HB2 GLN 10 HB1 GLN 10 -7.387 -6.099 2.949 64 HB3 GLN 10 HB2 GLN 10 -6.418 -4.743 3.574 65 HG2 GLN 10 HG1 GLN 10 -7.582 -5.769 5.401 66 HG3 GLN 10 HG2 GLN 10 -8.296 -4.167 5.095 67 HE21 GLN 10 1HE2 GLN 10 -9.830 -5.675 6.530 68 HE22 GLN 10 2HE2 GLN 10 -11.124 -6.381 5.630 69 H ARG 11 HN ARG 11 -5.923 -4.229 1.045 70 HA ARG 11 HA ARG 11 -4.644 -1.909 1.866 71 HB2 ARG 11 HB1 ARG 11 -3.557 -3.739 0.614 72 HB3 ARG 11 HB2 ARG 11 -4.452 -3.246 -0.844 73 HG2 ARG 11 HG1 ARG 11 -3.159 -0.927 0.083 74 HG3 ARG 11 HG2 ARG 11 -1.965 -2.240 0.217 75 HD2 ARG 11 HD1 ARG 11 -2.971 -2.807 -2.216 76 HD3 ARG 11 HD2 ARG 11 -3.246 -1.048 -2.190 77 HE ARG 11 HE ARG 11 -0.582 -1.851 -1.417 78 HH11 ARG 11 1HH1 ARG 11 -2.687 -0.994 -4.053 79 HH12 ARG 11 2HH1 ARG 11 -1.396 -0.503 -5.097 80 HH21 ARG 11 1HH2 ARG 11 1.128 -1.208 -2.783 81 HH22 ARG 11 2HH2 ARG 11 0.774 -0.627 -4.373 82 H LEU 12 HN LEU 12 -6.310 -2.353 -1.262 83 HA LEU 12 HA LEU 12 -6.259 0.230 -2.162 84 HB2 LEU 12 HB1 LEU 12 -7.468 -2.110 -2.951 85 HB3 LEU 12 HB2 LEU 12 -8.857 -1.049 -2.608 86 HG LEU 12 HG LEU 12 -8.013 0.586 -4.212 87 HD11 LEU 12 1HD1 LEU 12 -6.101 0.066 -5.653 88 HD12 LEU 12 2HD1 LEU 12 -5.793 -1.409 -4.707 89 HD13 LEU 12 3HD1 LEU 12 -5.620 0.190 -3.945 90 HD21 LEU 12 3HD2 LEU 12 -8.142 -2.221 -5.337 91 HD22 LEU 12 1HD2 LEU 12 -8.362 -0.716 -6.260 92 HD23 LEU 12 2HD2 LEU 12 -9.530 -1.161 -4.994 93 H ALA 13 HN ALA 13 -8.945 -1.213 -0.307 94 HA ALA 13 HA ALA 13 -10.518 1.015 0.016 95 HB1 ALA 13 HB1 ALA 13 -11.387 -0.041 2.063 96 HB2 ALA 13 HB2 ALA 13 -10.018 -1.178 2.040 97 HB3 ALA 13 HB3 ALA 13 -11.219 -1.205 0.727 98 H ASN 14 HN ASN 14 -7.617 0.123 1.799 99 HA ASN 14 HA ASN 14 -7.846 2.119 3.802 100 HB2 ASN 14 HB1 ASN 14 -6.346 -0.040 3.673 101 HB3 ASN 14 HB2 ASN 14 -5.182 1.069 2.907 102 HD21 ASN 14 1HD2 ASN 14 -3.711 1.568 4.365 103 HD22 ASN 14 2HD2 ASN 14 -4.011 2.055 5.997 104 H PHE 15 HN PHE 15 -6.308 2.010 0.634 105 HA PHE 15 HA PHE 15 -5.037 4.560 0.901 106 HB2 PHE 15 HB1 PHE 15 -3.928 3.226 -0.623 107 HB3 PHE 15 HB2 PHE 15 -5.440 2.586 -1.310 108 HD1 PHE 15 HD1 PHE 15 -3.481 5.757 -1.049 109 HD2 PHE 15 HD2 PHE 15 -6.188 3.403 -3.340 110 HE1 PHE 15 HE1 PHE 15 -3.327 7.379 -2.892 111 HE2 PHE 15 HE2 PHE 15 -6.037 5.020 -5.187 112 HZ PHE 15 HZ PHE 15 -4.604 7.011 -4.966 113 H LEU 16 HN LEU 16 -8.168 3.465 -0.013 114 HA LEU 16 HA LEU 16 -8.887 5.828 -1.493 115 HB2 LEU 16 HB1 LEU 16 -10.213 3.310 -0.658 116 HB3 LEU 16 HB2 LEU 16 -11.267 4.719 -0.925 117 HG LEU 16 HG LEU 16 -10.171 4.894 -3.222 118 HD11 LEU 16 1HD1 LEU 16 -9.211 2.828 -4.121 119 HD12 LEU 16 2HD1 LEU 16 -9.308 2.086 -2.507 120 HD13 LEU 16 3HD1 LEU 16 -8.235 3.478 -2.783 121 HD21 LEU 16 3HD2 LEU 16 -11.842 2.461 -2.561 122 HD22 LEU 16 1HD2 LEU 16 -11.651 3.188 -4.174 123 HD23 LEU 16 2HD2 LEU 16 -12.455 4.102 -2.876 124 H VAL 17 HN VAL 17 -9.464 4.559 1.757 125 HA VAL 17 HA VAL 17 -11.093 6.796 2.540 126 HB VAL 17 HB VAL 17 -11.513 4.679 3.607 127 HG11 VAL 17 1HG1 VAL 17 -9.860 3.595 5.067 128 HG12 VAL 17 2HG1 VAL 17 -8.658 4.821 4.600 129 HG13 VAL 17 3HG1 VAL 17 -9.295 3.690 3.382 130 HG21 VAL 17 3HG2 VAL 17 -10.235 6.620 5.546 131 HG22 VAL 17 1HG2 VAL 17 -11.375 5.322 5.975 132 HG23 VAL 17 2HG2 VAL 17 -11.912 6.676 4.952 133 H HIS 18 HN HIS 18 -7.720 5.925 2.714 134 HA HIS 18 HA HIS 18 -7.158 8.300 4.347 135 HB2 HIS 18 HB1 HIS 18 -5.416 5.926 3.641 136 HB3 HIS 18 HB2 HIS 18 -4.888 7.320 4.615 137 HD1 HIS 18 HD1 HIS 18 -5.953 7.548 7.006 138 HD2 HIS 18 HD2 HIS 18 -6.927 4.039 5.006 139 HE1 HIS 18 HE1 HIS 18 -6.916 6.022 8.757 140 H SER 19 HN SER 19 -7.779 9.420 2.221 141 HA SER 19 HA SER 19 -6.246 9.368 -0.073 142 HB2 SER 19 HB1 SER 19 -7.981 11.367 1.261 143 HB3 SER 19 HB2 SER 19 -6.823 12.019 0.076 144 HG SER 19 HG SER 19 -9.061 10.434 -0.311 145 H SER 20 HN SER 20 -5.496 10.735 3.038 146 HA SER 20 HA SER 20 -3.470 12.517 2.378 147 HB2 SER 20 HB1 SER 20 -2.906 12.529 4.626 148 HB3 SER 20 HB2 SER 20 -4.569 11.897 4.687 149 HG SER 20 HG SER 20 -2.865 10.711 5.901 150 H ASN 21 HN ASN 21 -3.419 9.021 2.611 151 HA ASN 21 HA ASN 21 -0.719 8.492 2.731 152 HB2 ASN 21 HB1 ASN 21 -3.032 7.084 1.438 153 HB3 ASN 21 HB2 ASN 21 -1.379 6.475 1.180 154 HD21 ASN 21 1HD2 ASN 21 -0.178 6.808 3.542 155 HD22 ASN 21 2HD2 ASN 21 -0.966 5.896 4.779 156 H ASN 22 HN ASN 22 -2.602 9.677 0.043 157 HA ASN 22 HA ASN 22 -0.870 9.120 -2.071 158 HB2 ASN 22 HB1 ASN 22 -3.005 9.896 -2.664 159 HB3 ASN 22 HB2 ASN 22 -2.882 11.309 -1.588 160 HD21 ASN 22 1HD2 ASN 22 -1.595 13.068 -2.231 161 HD22 ASN 22 2HD2 ASN 22 -1.172 13.323 -3.886 162 H PHE 23 HN PHE 23 -0.922 11.833 0.194 163 HA PHE 23 HA PHE 23 1.390 13.054 -1.064 164 HB2 PHE 23 HB1 PHE 23 -0.380 14.503 -0.221 165 HB3 PHE 23 HB2 PHE 23 -0.178 13.821 1.411 166 HD1 PHE 23 HD1 PHE 23 2.350 14.966 -1.088 167 HD2 PHE 23 HD2 PHE 23 0.604 15.536 2.752 168 HE1 PHE 23 HE1 PHE 23 4.034 16.686 -0.583 169 HE2 PHE 23 HE2 PHE 23 2.285 17.258 3.264 170 HZ PHE 23 HZ PHE 23 4.003 17.835 1.596 171 H GLY 24 HN GLY 24 0.578 11.622 2.093 172 HA2 GLY 24 HA1 GLY 24 3.092 11.862 3.281 173 HA3 GLY 24 HA2 GLY 24 1.900 10.636 3.689 174 H ALA 25 HN ALA 25 1.997 9.666 0.835 175 HA ALA 25 HA ALA 25 3.728 7.525 1.171 176 HB1 ALA 25 HB1 ALA 25 3.450 7.113 -1.239 177 HB2 ALA 25 HB2 ALA 25 2.731 8.731 -1.417 178 HB3 ALA 25 HB3 ALA 25 1.906 7.493 -0.440 179 H ILE 26 HN ILE 26 4.360 10.740 0.006 180 HA ILE 26 HA ILE 26 6.923 10.079 -1.140 181 HB ILE 26 HB ILE 26 5.709 12.774 -0.519 182 HG12 ILE 26 1HG1 ILE 26 5.793 12.552 -3.236 183 HG13 ILE 26 2HG1 ILE 26 5.463 10.869 -2.761 184 HG21 ILE 26 1HG2 ILE 26 7.420 13.675 -2.038 185 HG22 ILE 26 2HG2 ILE 26 8.131 12.049 -2.179 186 HG23 ILE 26 3HG2 ILE 26 8.141 12.892 -0.611 187 HD11 ILE 26 3HD1 ILE 26 3.501 11.613 -1.491 188 HD12 ILE 26 1HD1 ILE 26 3.393 12.092 -3.202 189 HD13 ILE 26 2HD1 ILE 26 3.832 13.296 -1.967 190 H LEU 27 HN LEU 27 5.694 11.074 1.940 191 HA LEU 27 HA LEU 27 8.236 11.975 2.958 192 HB2 LEU 27 HB1 LEU 27 5.462 11.753 3.946 193 HB3 LEU 27 HB2 LEU 27 6.735 11.572 5.178 194 HG LEU 27 HG LEU 27 6.381 13.956 3.348 195 HD11 LEU 27 1HD1 LEU 27 5.700 15.138 5.382 196 HD12 LEU 27 2HD1 LEU 27 5.802 13.615 6.297 197 HD13 LEU 27 3HD1 LEU 27 4.594 13.796 5.002 198 HD21 LEU 27 3HD2 LEU 27 8.280 13.476 5.655 199 HD22 LEU 27 1HD2 LEU 27 8.085 15.005 4.765 200 HD23 LEU 27 2HD2 LEU 27 8.720 13.566 3.933 201 H SER 28 HN SER 28 6.229 9.080 3.223 202 HA SER 28 HA SER 28 8.153 7.783 4.968 203 HB2 SER 28 HB1 SER 28 5.373 7.361 4.195 204 HB3 SER 28 HB2 SER 28 6.315 5.851 4.141 205 HG SER 28 HG SER 28 7.089 6.748 6.335 206 H SER 29 HN SER 29 7.020 7.558 1.634 207 HA SER 29 HA SER 29 7.846 6.496 -0.203 208 HB2 SER 29 HB1 SER 29 10.537 6.220 1.087 209 HB3 SER 29 HB2 SER 29 10.120 6.693 -0.578 210 HG SER 29 HG SER 29 10.669 8.581 0.330 211 H THR 30 HN THR 30 6.534 4.824 1.496 212 HA THR 30 HA THR 30 8.170 2.456 1.924 213 HB THR 30 HB THR 30 6.480 3.144 3.618 214 HG1 THR 30 HG1 THR 30 5.850 0.625 2.449 215 HG21 THR 30 3HG2 THR 30 4.741 3.962 2.097 216 HG22 THR 30 1HG2 THR 30 4.102 2.698 3.174 217 HG23 THR 30 2HG2 THR 30 4.498 2.310 1.483 218 H ASN 31 HN ASN 31 5.787 3.674 -0.298 219 HA ASN 31 HA ASN 31 5.582 1.057 -1.605 220 HB2 ASN 31 HB1 ASN 31 3.756 2.155 -2.941 221 HB3 ASN 31 HB2 ASN 31 3.441 2.047 -1.192 222 HD21 ASN 31 1HD2 ASN 31 3.391 4.047 -3.840 223 HD22 ASN 31 2HD2 ASN 31 3.346 5.574 -3.034 224 H VAL 32 HN VAL 32 6.779 4.301 -2.042 225 HA VAL 32 HA VAL 32 7.586 3.678 -4.797 226 HB VAL 32 HB VAL 32 6.391 5.786 -4.534 227 HG11 VAL 32 1HG1 VAL 32 7.357 7.642 -3.245 228 HG12 VAL 32 2HG1 VAL 32 8.638 6.554 -2.659 229 HG13 VAL 32 3HG1 VAL 32 6.943 6.257 -2.207 230 HG21 VAL 32 3HG2 VAL 32 9.337 6.180 -5.107 231 HG22 VAL 32 1HG2 VAL 32 8.028 7.284 -5.593 232 HG23 VAL 32 2HG2 VAL 32 8.101 5.639 -6.268 233 H GLY 33 HN GLY 33 8.825 4.438 -1.611 234 HA2 GLY 33 HA1 GLY 33 11.561 4.674 -2.549 235 HA3 GLY 33 HA2 GLY 33 11.014 4.765 -0.880 236 H SER 34 HN SER 34 9.868 2.474 -0.304 237 HA SER 34 HA SER 34 11.930 0.679 0.104 238 HB2 SER 34 HB1 SER 34 9.314 0.853 0.910 239 HB3 SER 34 HB2 SER 34 9.276 -0.584 -0.140 240 HG SER 34 HG SER 34 10.121 -0.452 2.348 241 H ASN 35 HN ASN 35 9.815 1.027 -2.642 242 HA ASN 35 HA ASN 35 10.046 -1.431 -3.877 243 HB2 ASN 35 HB1 ASN 35 8.907 0.933 -4.550 244 HB3 ASN 35 HB2 ASN 35 10.292 0.916 -5.668 245 HD21 ASN 35 1HD2 ASN 35 7.943 0.890 -6.838 246 HD22 ASN 35 2HD2 ASN 35 7.532 -0.675 -7.449 247 H THR 36 HN THR 36 12.497 0.831 -3.224 248 HA THR 36 HA THR 36 14.368 -0.700 -4.901 249 HB THR 36 HB THR 36 15.346 1.972 -4.580 250 HG1 THR 36 HG1 THR 36 12.662 1.710 -5.396 251 HG21 THR 36 3HG2 THR 36 16.054 0.396 -6.317 252 HG22 THR 36 1HG2 THR 36 15.434 1.900 -7.037 253 HG23 THR 36 2HG2 THR 36 14.421 0.437 -7.024 254 H TYR 37 HN TYR 37 13.925 1.406 -2.096 255 HA TYR 37 HA TYR 37 16.466 0.431 -0.990 256 HB2 TYR 37 HB1 TYR 37 14.763 2.670 0.109 257 HB3 TYR 37 HB2 TYR 37 16.471 2.314 0.462 258 HD1 TYR 37 HD1 TYR 37 17.537 1.906 -2.272 259 HD2 TYR 37 HD2 TYR 37 14.818 4.829 -0.798 260 HE1 TYR 37 HE1 TYR 37 18.232 3.444 -4.059 261 HE2 TYR 37 HE2 TYR 37 15.505 6.375 -2.583 262 HH TYR 37 HH TYR 37 16.544 6.064 -4.990 263 HN1 NH2 38 HN1 NH2 37 13.233 -0.809 -1.065 264 HN2 NH2 38 HN2 NH2 37 13.102 -1.364 0.699
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