![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
![]() |
638624 |
6k51 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 4.576 -0.446 5.197 2 H2 GLY 1 HT2 GLY 1 5.148 -0.686 6.770 3 H3 GLY 1 HT3 GLY 1 3.486 -0.671 6.471 4 HA2 GLY 1 HA1 GLY 1 5.413 -2.706 5.505 5 HA3 GLY 1 HA2 GLY 1 4.250 -2.926 6.797 6 H PHE 2 HN PHE 2 2.860 -4.363 6.057 7 HA PHE 2 HA PHE 2 1.173 -5.302 4.896 8 HB2 PHE 2 HB2 PHE 2 0.774 -2.532 3.751 9 HB3 PHE 2 HB1 PHE 2 -0.403 -3.838 3.758 10 HD1 PHE 2 HD1 PHE 2 0.614 -0.949 5.380 11 HD2 PHE 2 HD2 PHE 2 -0.885 -4.846 6.157 12 HE1 PHE 2 HE1 PHE 2 -0.195 -0.195 7.576 13 HE2 PHE 2 HE2 PHE 2 -1.705 -4.100 8.352 14 HZ PHE 2 HZ PHE 2 -1.397 -1.800 9.063 15 H GLY 3 HN GLY 3 3.524 -5.892 3.804 16 HA2 GLY 3 HA2 GLY 3 4.013 -7.190 1.936 17 HA3 GLY 3 HA1 GLY 3 2.644 -6.478 1.109 18 H CYS 4 HN CYS 4 3.432 -3.731 1.454 19 HA CYS 4 HA CYS 4 5.367 -3.577 -0.658 20 HB2 CYS 4 HB2 CYS 4 3.419 -1.979 -0.363 21 HB3 CYS 4 HB1 CYS 4 4.311 -1.258 0.974 22 H ASN 5 HN ASN 5 5.294 -2.217 2.625 23 HA ASN 5 HA ASN 5 6.746 -2.257 4.330 24 HB2 ASN 5 HB2 ASN 5 8.215 -4.246 2.614 25 HB3 ASN 5 HB1 ASN 5 8.687 -3.831 4.256 26 HD21 ASN 5 HD21 ASN 5 7.117 -4.201 5.935 27 HD22 ASN 5 HD22 ASN 5 6.031 -5.536 5.791 28 H GLY 6 HN GLY 6 8.400 -1.969 1.234 29 HA2 GLY 6 HA2 GLY 6 9.557 0.502 1.747 30 HA3 GLY 6 HA1 GLY 6 10.711 -0.715 2.278 31 HA PRO 7 HA PRO 7 11.112 0.361 -2.294 32 HB2 PRO 7 HB2 PRO 7 13.954 0.442 -1.823 33 HB3 PRO 7 HB1 PRO 7 12.893 1.733 -2.380 34 HG2 PRO 7 HG2 PRO 7 14.123 1.504 0.133 35 HG3 PRO 7 HG1 PRO 7 12.889 2.678 -0.345 36 HD2 PRO 7 HD2 PRO 7 12.664 0.395 1.410 37 HD3 PRO 7 HD1 PRO 7 11.491 1.680 1.086 38 H TRP 8 HN TRP 8 12.957 -1.720 -0.179 39 HA TRP 8 HA TRP 8 14.407 -3.212 -2.010 40 HB2 TRP 8 HB2 TRP 8 13.291 -4.467 0.475 41 HB3 TRP 8 HB1 TRP 8 14.891 -4.635 -0.233 42 HD1 TRP 8 HD1 TRP 8 12.796 -2.029 1.687 43 HE1 TRP 8 HE1 TRP 8 14.406 -0.556 3.059 44 HE3 TRP 8 HE3 TRP 8 17.246 -3.915 0.020 45 HZ2 TRP 8 HZ2 TRP 8 17.188 -0.232 3.380 46 HZ3 TRP 8 HZ3 TRP 8 19.334 -2.965 0.906 47 HH2 TRP 8 HH2 TRP 8 19.305 -1.162 2.551 48 H GLN 9 HN GLN 9 11.169 -3.721 -0.715 49 HA GLN 9 HA GLN 9 10.804 -5.929 -2.610 50 HB2 GLN 9 HB2 GLN 9 8.576 -5.897 -0.951 51 HB3 GLN 9 HB1 GLN 9 9.941 -6.995 -0.850 52 HG2 GLN 9 HG2 GLN 9 11.041 -5.414 0.703 53 HG3 GLN 9 HG1 GLN 9 9.591 -4.414 0.678 54 HE21 GLN 9 HE21 GLN 9 10.824 -5.753 2.912 55 HE22 GLN 9 HE22 GLN 9 9.649 -6.843 3.553 56 H GLU 10 HN GLU 10 8.508 -3.717 -1.086 57 HA GLU 10 HA GLU 10 6.905 -2.378 -1.861 58 HB2 GLU 10 HB2 GLU 10 9.062 -1.330 -2.791 59 HB3 GLU 10 HB1 GLU 10 8.530 -1.958 -4.347 60 HG2 GLU 10 HG2 GLU 10 6.521 -0.476 -2.808 61 HG3 GLU 10 HG1 GLU 10 7.888 0.476 -3.401 62 H ASP 11 HN ASP 11 5.681 -4.432 -2.073 63 HA ASP 11 HA ASP 11 4.847 -4.908 -4.828 64 HB2 ASP 11 HB2 ASP 11 4.227 -6.261 -2.210 65 HB3 ASP 11 HB1 ASP 11 3.259 -6.559 -3.648 66 H ASP 12 HN ASP 12 3.680 -3.215 -5.483 67 HA ASP 12 HA ASP 12 2.138 -1.536 -3.863 68 HB2 ASP 12 HB2 ASP 12 3.014 -0.993 -6.143 69 HB3 ASP 12 HB1 ASP 12 1.757 -2.017 -6.822 70 H LEU 13 HN LEU 13 1.223 -4.351 -5.793 71 HA LEU 13 HA LEU 13 -1.557 -4.076 -5.469 72 HB2 LEU 13 HB2 LEU 13 -0.423 -5.534 -7.148 73 HB3 LEU 13 HB1 LEU 13 -0.043 -6.650 -5.851 74 HG LEU 13 HG LEU 13 -2.496 -6.896 -5.415 75 HD11 LEU 13 HD11 LEU 13 -2.739 -5.319 -7.968 76 HD12 LEU 13 HD12 LEU 13 -3.264 -4.810 -6.363 77 HD13 LEU 13 HD13 LEU 13 -4.053 -6.173 -7.157 78 HD21 LEU 13 HD21 LEU 13 -1.286 -8.549 -6.727 79 HD22 LEU 13 HD22 LEU 13 -1.547 -7.602 -8.190 80 HD23 LEU 13 HD23 LEU 13 -2.919 -8.331 -7.355 81 H LYS 14 HN LYS 14 0.910 -5.512 -3.431 82 HA LYS 14 HA LYS 14 -0.794 -6.880 -1.640 83 HB2 LYS 14 HB2 LYS 14 1.948 -5.672 -1.391 84 HB3 LYS 14 HB1 LYS 14 1.135 -6.340 0.014 85 HG2 LYS 14 HG2 LYS 14 1.612 -7.898 -2.509 86 HG3 LYS 14 HG1 LYS 14 2.737 -7.871 -1.150 87 HD2 LYS 14 HD2 LYS 14 -0.143 -8.763 -1.035 88 HD3 LYS 14 HD1 LYS 14 1.262 -9.825 -1.066 89 HE2 LYS 14 HE2 LYS 14 2.040 -8.736 1.047 90 HE3 LYS 14 HE1 LYS 14 0.513 -7.859 1.091 91 HZ1 LYS 14 HZ1 LYS 14 -0.661 -9.960 1.198 92 HZ2 LYS 14 HZ2 LYS 14 0.441 -9.831 2.473 93 HZ3 LYS 14 HZ3 LYS 14 0.801 -10.810 1.143 94 H CYS 15 HN CYS 15 0.482 -3.574 -1.670 95 HA CYS 15 HA CYS 15 -0.812 -2.685 0.669 96 HB2 CYS 15 HB2 CYS 15 0.993 -1.405 -0.384 97 HB3 CYS 15 HB1 CYS 15 -0.012 -1.128 -1.803 98 H HIS 16 HN HIS 16 -1.720 -2.517 -2.747 99 HA HIS 16 HA HIS 16 -4.227 -1.384 -2.576 100 HB2 HIS 16 HB2 HIS 16 -3.105 -1.898 -4.692 101 HB3 HIS 16 HB1 HIS 16 -3.264 -3.620 -4.380 102 HD1 HIS 16 HD1 HIS 16 -5.123 -0.674 -5.655 103 HD2 HIS 16 HD2 HIS 16 -5.845 -4.672 -4.810 104 HE1 HIS 16 HE1 HIS 16 -7.337 -1.194 -6.707 105 HE2 HIS 16 HE2 HIS 16 -7.578 -3.690 -6.454 106 H ASN 17 HN ASN 17 -3.435 -4.834 -2.480 107 HA ASN 17 HA ASN 17 -5.976 -5.843 -1.977 108 HB2 ASN 17 HB2 ASN 17 -3.203 -6.867 -1.507 109 HB3 ASN 17 HB1 ASN 17 -4.575 -7.779 -0.896 110 HD21 ASN 17 HD21 ASN 17 -2.606 -8.408 -2.972 111 HD22 ASN 17 HD22 ASN 17 -3.523 -8.750 -4.392 112 H HIS 18 HN HIS 18 -3.526 -4.692 0.304 113 HA HIS 18 HA HIS 18 -4.770 -5.574 2.651 114 HB2 HIS 18 HB2 HIS 18 -2.618 -4.812 3.036 115 HB3 HIS 18 HB1 HIS 18 -2.810 -3.401 2.004 116 HD1 HIS 18 HD1 HIS 18 -4.181 -4.626 5.351 117 HD2 HIS 18 HD2 HIS 18 -3.113 -1.125 3.384 118 HE1 HIS 18 HE1 HIS 18 -4.598 -2.771 7.000 119 HE2 HIS 18 HE2 HIS 18 -3.847 -0.669 5.823 120 H CYS 19 HN CYS 19 -5.131 -2.565 0.830 121 HA CYS 19 HA CYS 19 -6.987 -1.404 2.640 122 HB2 CYS 19 HB2 CYS 19 -6.632 -0.730 -0.281 123 HB3 CYS 19 HB1 CYS 19 -7.256 0.317 0.990 124 H LYS 20 HN LYS 20 -7.273 -3.636 0.009 125 HA LYS 20 HA LYS 20 -9.992 -3.284 -0.635 126 HB2 LYS 20 HB2 LYS 20 -8.392 -5.846 -0.744 127 HB3 LYS 20 HB1 LYS 20 -9.878 -5.507 -1.623 128 HG2 LYS 20 HG2 LYS 20 -7.346 -3.939 -1.970 129 HG3 LYS 20 HG1 LYS 20 -7.771 -5.336 -2.959 130 HD2 LYS 20 HD2 LYS 20 -9.554 -2.937 -2.664 131 HD3 LYS 20 HD1 LYS 20 -8.297 -3.050 -3.899 132 HE2 LYS 20 HE2 LYS 20 -9.321 -4.928 -4.903 133 HE3 LYS 20 HE1 LYS 20 -10.441 -5.134 -3.552 134 HZ1 LYS 20 HZ1 LYS 20 -11.559 -3.126 -4.156 135 HZ2 LYS 20 HZ2 LYS 20 -11.453 -4.095 -5.535 136 HZ3 LYS 20 HZ3 LYS 20 -10.418 -2.772 -5.350 137 H SER 21 HN SER 21 -8.362 -4.971 1.932 138 HA SER 21 HA SER 21 -10.698 -6.437 2.768 139 HB2 SER 21 HB2 SER 21 -8.028 -6.070 4.143 140 HB3 SER 21 HB1 SER 21 -9.261 -7.258 4.570 141 HG SER 21 HG SER 21 -8.896 -7.679 2.069 142 H ILE 22 HN ILE 22 -9.732 -3.268 3.103 143 HA ILE 22 HA ILE 22 -10.899 -2.969 5.772 144 HB ILE 22 HB ILE 22 -9.666 -0.782 4.090 145 HG12 ILE 22 HG12 ILE 22 -8.326 -2.424 6.247 146 HG13 ILE 22 HG11 ILE 22 -8.018 -2.613 4.525 147 HG21 ILE 22 HG21 ILE 22 -9.373 0.298 6.309 148 HG22 ILE 22 HG22 ILE 22 -10.277 -1.031 7.034 149 HG23 ILE 22 HG23 ILE 22 -11.061 0.040 5.872 150 HD11 ILE 22 HD11 ILE 22 -6.289 -1.301 5.604 151 HD12 ILE 22 HD12 ILE 22 -7.502 -0.145 6.156 152 HD13 ILE 22 HD13 ILE 22 -7.179 -0.329 4.434 153 H LYS 23 HN LYS 23 -12.641 -1.677 6.160 154 HA LYS 23 HA LYS 23 -14.972 -1.915 5.335 155 HB2 LYS 23 HB2 LYS 23 -15.187 0.793 5.126 156 HB3 LYS 23 HB1 LYS 23 -15.180 -0.119 6.629 157 HG2 LYS 23 HG2 LYS 23 -12.781 0.252 6.845 158 HG3 LYS 23 HG1 LYS 23 -12.780 1.139 5.322 159 HD2 LYS 23 HD2 LYS 23 -12.788 2.627 7.268 160 HD3 LYS 23 HD1 LYS 23 -14.225 2.830 6.267 161 HE2 LYS 23 HE2 LYS 23 -14.816 2.843 8.624 162 HE3 LYS 23 HE1 LYS 23 -15.501 1.436 7.820 163 HZ1 LYS 23 HZ1 LYS 23 -13.719 0.087 8.728 164 HZ2 LYS 23 HZ2 LYS 23 -14.553 0.871 9.969 165 HZ3 LYS 23 HZ3 LYS 23 -13.041 1.441 9.483 166 H GLY 24 HN GLY 24 -14.097 1.003 3.617 167 HA2 GLY 24 HA2 GLY 24 -15.155 -0.242 1.158 168 HA3 GLY 24 HA1 GLY 24 -15.673 1.348 1.697 169 H TYR 25 HN TYR 25 -12.388 0.256 1.996 170 HA TYR 25 HA TYR 25 -11.421 2.461 0.445 171 HB2 TYR 25 HB2 TYR 25 -9.986 0.046 1.562 172 HB3 TYR 25 HB1 TYR 25 -9.185 1.405 0.786 173 HD1 TYR 25 HD1 TYR 25 -11.883 2.730 2.494 174 HD2 TYR 25 HD2 TYR 25 -8.035 1.083 3.224 175 HE1 TYR 25 HE1 TYR 25 -11.794 3.912 4.645 176 HE2 TYR 25 HE2 TYR 25 -7.936 2.253 5.382 177 HH TYR 25 HH TYR 25 -10.581 3.575 6.879 178 H LYS 26 HN LYS 26 -10.688 2.516 -1.605 179 HA LYS 26 HA LYS 26 -11.729 0.450 -3.341 180 HB2 LYS 26 HB2 LYS 26 -12.125 2.755 -3.931 181 HB3 LYS 26 HB1 LYS 26 -10.400 3.111 -3.858 182 HG2 LYS 26 HG2 LYS 26 -9.964 1.980 -5.850 183 HG3 LYS 26 HG1 LYS 26 -11.490 1.095 -5.794 184 HD2 LYS 26 HD2 LYS 26 -11.506 2.874 -7.497 185 HD3 LYS 26 HD1 LYS 26 -12.725 3.131 -6.251 186 HE2 LYS 26 HE2 LYS 26 -11.235 4.738 -5.145 187 HE3 LYS 26 HE1 LYS 26 -10.039 4.491 -6.415 188 HZ1 LYS 26 HZ1 LYS 26 -11.602 5.356 -8.025 189 HZ2 LYS 26 HZ2 LYS 26 -11.367 6.483 -6.791 190 HZ3 LYS 26 HZ3 LYS 26 -12.781 5.554 -6.829 191 H GLY 27 HN GLY 27 -8.592 1.941 -2.677 192 HA2 GLY 27 HA2 GLY 27 -7.257 -0.524 -3.368 193 HA3 GLY 27 HA1 GLY 27 -6.949 0.804 -4.482 194 H GLY 28 HN GLY 28 -4.734 0.136 -3.545 195 HA2 GLY 28 HA2 GLY 28 -4.111 2.109 -1.487 196 HA3 GLY 28 HA1 GLY 28 -3.700 0.438 -1.133 197 H TYR 29 HN TYR 29 -1.965 2.755 -1.436 198 HA TYR 29 HA TYR 29 -0.122 1.574 -3.355 199 HB2 TYR 29 HB2 TYR 29 0.351 3.648 -4.488 200 HB3 TYR 29 HB1 TYR 29 -1.373 3.334 -4.603 201 HD1 TYR 29 HD1 TYR 29 1.140 5.681 -3.637 202 HD2 TYR 29 HD2 TYR 29 -2.909 4.561 -2.969 203 HE1 TYR 29 HE1 TYR 29 0.683 7.912 -2.716 204 HE2 TYR 29 HE2 TYR 29 -3.379 6.787 -2.042 205 HH TYR 29 HH TYR 29 -2.282 8.639 -1.074 206 H CYS 30 HN CYS 30 2.027 2.060 -2.939 207 HA CYS 30 HA CYS 30 2.626 2.756 -0.225 208 HB2 CYS 30 HB2 CYS 30 4.691 2.544 -2.404 209 HB3 CYS 30 HB1 CYS 30 4.814 2.093 -0.705 210 H ALA 31 HN ALA 31 2.894 4.766 0.533 211 HA ALA 31 HA ALA 31 2.742 6.928 -1.391 212 HB1 ALA 31 HB1 ALA 31 2.749 7.086 1.616 213 HB2 ALA 31 HB2 ALA 31 1.311 6.897 0.614 214 HB3 ALA 31 HB3 ALA 31 2.288 8.360 0.490 215 H LYS 32 HN LYS 32 5.014 5.892 1.145 216 HA LYS 32 HA LYS 32 6.910 7.868 0.068 217 HB2 LYS 32 HB2 LYS 32 6.585 7.037 2.942 218 HB3 LYS 32 HB1 LYS 32 7.826 8.122 2.329 219 HG2 LYS 32 HG2 LYS 32 5.726 9.424 1.398 220 HG3 LYS 32 HG1 LYS 32 4.927 8.590 2.735 221 HD2 LYS 32 HD2 LYS 32 6.619 9.468 4.271 222 HD3 LYS 32 HD1 LYS 32 7.381 10.315 2.924 223 HE2 LYS 32 HE2 LYS 32 4.567 10.762 3.917 224 HE3 LYS 32 HE1 LYS 32 5.948 11.804 4.254 225 HZ1 LYS 32 HZ1 LYS 32 4.790 11.252 1.576 226 HZ2 LYS 32 HZ2 LYS 32 6.149 12.213 1.867 227 HZ3 LYS 32 HZ3 LYS 32 4.638 12.690 2.452 228 H GLY 33 HN GLY 33 7.363 5.813 -1.270 229 HA2 GLY 33 HA2 GLY 33 9.212 4.573 -1.868 230 HA3 GLY 33 HA1 GLY 33 9.950 5.008 -0.334 231 H GLY 34 HN GLY 34 6.925 3.297 -1.004 232 HA2 GLY 34 HA2 GLY 34 6.431 1.044 -0.763 233 HA3 GLY 34 HA1 GLY 34 8.092 0.753 -0.296 234 H PHE 35 HN PHE 35 7.970 2.804 1.819 235 HA PHE 35 HA PHE 35 7.549 1.095 3.945 236 HB2 PHE 35 HB2 PHE 35 7.658 4.098 3.793 237 HB3 PHE 35 HB1 PHE 35 7.504 3.251 5.327 238 HD1 PHE 35 HD1 PHE 35 9.711 4.266 2.679 239 HD2 PHE 35 HD2 PHE 35 9.320 1.684 6.035 240 HE1 PHE 35 HE1 PHE 35 12.151 3.984 2.743 241 HE2 PHE 35 HE2 PHE 35 11.761 1.396 6.104 242 HZ PHE 35 HZ PHE 35 13.174 2.515 4.455 243 H VAL 36 HN VAL 36 5.493 3.919 3.249 244 HA VAL 36 HA VAL 36 3.469 2.774 4.988 245 HB VAL 36 HB VAL 36 3.919 5.011 5.516 246 HG11 VAL 36 HG11 VAL 36 3.793 6.846 3.864 247 HG12 VAL 36 HG12 VAL 36 3.615 5.634 2.595 248 HG13 VAL 36 HG13 VAL 36 5.094 5.696 3.556 249 HG21 VAL 36 HG21 VAL 36 1.533 4.469 5.509 250 HG22 VAL 36 HG22 VAL 36 1.412 5.040 3.845 251 HG23 VAL 36 HG23 VAL 36 1.813 6.169 5.139 252 H CYS 37 HN CYS 37 1.635 1.965 4.372 253 HA CYS 37 HA CYS 37 0.940 1.861 1.548 254 HB2 CYS 37 HB2 CYS 37 1.081 -0.271 2.736 255 HB3 CYS 37 HB1 CYS 37 -0.068 0.300 3.940 256 H LYS 38 HN LYS 38 -0.090 3.746 1.127 257 HA LYS 38 HA LYS 38 -2.194 4.698 2.895 258 HB2 LYS 38 HB2 LYS 38 -0.465 6.196 1.751 259 HB3 LYS 38 HB1 LYS 38 -1.357 5.924 0.273 260 HG2 LYS 38 HG2 LYS 38 -2.837 6.897 2.650 261 HG3 LYS 38 HG1 LYS 38 -1.779 8.022 1.800 262 HD2 LYS 38 HD2 LYS 38 -2.931 7.478 -0.289 263 HD3 LYS 38 HD1 LYS 38 -4.032 6.426 0.597 264 HE2 LYS 38 HE2 LYS 38 -3.698 9.388 1.065 265 HE3 LYS 38 HE1 LYS 38 -4.997 8.651 0.129 266 HZ1 LYS 38 HZ1 LYS 38 -5.750 9.127 2.343 267 HZ2 LYS 38 HZ2 LYS 38 -4.472 8.254 3.025 268 HZ3 LYS 38 HZ3 LYS 38 -5.670 7.449 2.140 269 H CYS 39 HN CYS 39 -4.341 4.904 2.281 270 HA CYS 39 HA CYS 39 -5.153 3.224 0.000 271 HB2 CYS 39 HB2 CYS 39 -6.571 3.375 2.664 272 HB3 CYS 39 HB1 CYS 39 -6.959 2.313 1.320 273 H TYR 40 HN TYR 40 -7.282 3.741 -0.891 274 HA TYR 40 HA TYR 40 -8.293 6.366 -0.100 275 HB2 TYR 40 HB2 TYR 40 -8.636 6.827 -2.606 276 HB3 TYR 40 HB1 TYR 40 -7.017 7.017 -1.948 277 HD1 TYR 40 HD1 TYR 40 -5.235 5.485 -2.571 278 HD2 TYR 40 HD2 TYR 40 -9.152 5.028 -4.166 279 HE1 TYR 40 HE1 TYR 40 -4.351 3.983 -4.306 280 HE2 TYR 40 HE2 TYR 40 -8.276 3.523 -5.901 281 HH TYR 40 HH TYR 40 -5.026 2.323 -5.823 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 5.586 -3.635 8.048 2 H2 GLY 1 HT2 GLY 1 4.959 -4.961 7.209 3 H3 GLY 1 HT3 GLY 1 4.178 -4.395 8.595 4 HA2 GLY 1 HA1 GLY 1 3.674 -2.305 7.478 5 HA3 GLY 1 HA2 GLY 1 4.450 -2.937 6.031 6 H PHE 2 HN PHE 2 2.370 -2.563 4.986 7 HA PHE 2 HA PHE 2 0.506 -4.777 5.537 8 HB2 PHE 2 HB2 PHE 2 -0.201 -2.025 4.504 9 HB3 PHE 2 HB1 PHE 2 -1.326 -3.356 4.728 10 HD1 PHE 2 HD1 PHE 2 0.384 -0.618 6.301 11 HD2 PHE 2 HD2 PHE 2 -1.756 -4.222 7.011 12 HE1 PHE 2 HE1 PHE 2 -0.020 0.084 8.624 13 HE2 PHE 2 HE2 PHE 2 -2.170 -3.528 9.329 14 HZ PHE 2 HZ PHE 2 -1.296 -1.372 10.143 15 H GLY 3 HN GLY 3 2.790 -3.842 3.484 16 HA2 GLY 3 HA2 GLY 3 2.186 -5.554 1.418 17 HA3 GLY 3 HA1 GLY 3 1.500 -4.005 0.952 18 H CYS 4 HN CYS 4 2.976 -2.146 0.877 19 HA CYS 4 HA CYS 4 5.147 -2.665 -0.731 20 HB2 CYS 4 HB2 CYS 4 4.725 -0.206 0.964 21 HB3 CYS 4 HB1 CYS 4 5.663 -0.330 -0.508 22 H ASN 5 HN ASN 5 5.231 -1.591 2.666 23 HA ASN 5 HA ASN 5 6.567 -2.058 4.395 24 HB2 ASN 5 HB2 ASN 5 7.349 -4.221 2.509 25 HB3 ASN 5 HB1 ASN 5 8.324 -3.933 3.929 26 HD21 ASN 5 HD21 ASN 5 5.391 -5.196 2.702 27 HD22 ASN 5 HD22 ASN 5 4.777 -5.806 4.204 28 H GLY 6 HN GLY 6 8.362 -2.062 1.366 29 HA2 GLY 6 HA2 GLY 6 9.917 0.188 1.983 30 HA3 GLY 6 HA1 GLY 6 10.838 -1.256 2.393 31 HA PRO 7 HA PRO 7 10.795 0.296 -2.320 32 HB2 PRO 7 HB2 PRO 7 13.660 0.372 -1.863 33 HB3 PRO 7 HB1 PRO 7 12.601 1.648 -2.468 34 HG2 PRO 7 HG2 PRO 7 13.676 1.258 0.198 35 HG3 PRO 7 HG1 PRO 7 12.812 2.656 -0.457 36 HD2 PRO 7 HD2 PRO 7 11.801 0.975 1.453 37 HD3 PRO 7 HD1 PRO 7 10.801 1.931 0.342 38 H TRP 8 HN TRP 8 12.892 -1.767 -0.387 39 HA TRP 8 HA TRP 8 14.199 -3.215 -2.340 40 HB2 TRP 8 HB2 TRP 8 13.334 -4.678 0.098 41 HB3 TRP 8 HB1 TRP 8 14.931 -4.550 -0.626 42 HD1 TRP 8 HD1 TRP 8 12.497 -2.385 1.461 43 HE1 TRP 8 HE1 TRP 8 13.900 -0.844 2.982 44 HE3 TRP 8 HE3 TRP 8 17.166 -3.627 -0.210 45 HZ2 TRP 8 HZ2 TRP 8 16.622 -0.236 3.405 46 HZ3 TRP 8 HZ3 TRP 8 19.116 -2.520 0.803 47 HH2 TRP 8 HH2 TRP 8 18.848 -0.860 2.574 48 H GLN 9 HN GLN 9 11.070 -3.816 -0.829 49 HA GLN 9 HA GLN 9 10.618 -5.998 -2.743 50 HB2 GLN 9 HB2 GLN 9 8.710 -6.574 -1.082 51 HB3 GLN 9 HB1 GLN 9 10.363 -6.993 -0.666 52 HG2 GLN 9 HG2 GLN 9 10.517 -5.072 0.797 53 HG3 GLN 9 HG1 GLN 9 8.894 -4.555 0.357 54 HE21 GLN 9 HE21 GLN 9 7.124 -5.962 0.936 55 HE22 GLN 9 HE22 GLN 9 7.265 -6.981 2.326 56 H GLU 10 HN GLU 10 8.807 -3.482 -1.010 57 HA GLU 10 HA GLU 10 7.087 -2.142 -1.593 58 HB2 GLU 10 HB2 GLU 10 9.143 -1.556 -3.153 59 HB3 GLU 10 HB1 GLU 10 8.043 -2.103 -4.412 60 HG2 GLU 10 HG2 GLU 10 6.366 -0.487 -3.569 61 HG3 GLU 10 HG1 GLU 10 7.579 0.113 -2.441 62 H ASP 11 HN ASP 11 5.923 -4.400 -1.397 63 HA ASP 11 HA ASP 11 4.773 -5.462 -3.776 64 HB2 ASP 11 HB2 ASP 11 3.842 -5.707 -0.905 65 HB3 ASP 11 HB1 ASP 11 3.290 -6.689 -2.251 66 H ASP 12 HN ASP 12 3.849 -3.826 -4.931 67 HA ASP 12 HA ASP 12 2.286 -1.737 -3.877 68 HB2 ASP 12 HB2 ASP 12 3.396 -1.494 -6.002 69 HB3 ASP 12 HB1 ASP 12 2.499 -2.846 -6.678 70 H LEU 13 HN LEU 13 1.284 -4.630 -5.712 71 HA LEU 13 HA LEU 13 -1.471 -4.010 -5.533 72 HB2 LEU 13 HB2 LEU 13 -0.543 -5.414 -7.303 73 HB3 LEU 13 HB1 LEU 13 -0.111 -6.632 -6.121 74 HG LEU 13 HG LEU 13 -2.578 -6.848 -5.592 75 HD11 LEU 13 HD11 LEU 13 -3.299 -4.701 -6.467 76 HD12 LEU 13 HD12 LEU 13 -4.157 -6.027 -7.249 77 HD13 LEU 13 HD13 LEU 13 -2.851 -5.201 -8.097 78 HD21 LEU 13 HD21 LEU 13 -1.458 -8.495 -6.960 79 HD22 LEU 13 HD22 LEU 13 -1.641 -7.478 -8.389 80 HD23 LEU 13 HD23 LEU 13 -3.062 -8.176 -7.614 81 H LYS 14 HN LYS 14 0.715 -5.852 -3.506 82 HA LYS 14 HA LYS 14 -1.275 -7.142 -1.942 83 HB2 LYS 14 HB2 LYS 14 1.491 -7.195 -2.079 84 HB3 LYS 14 HB1 LYS 14 1.185 -6.480 -0.505 85 HG2 LYS 14 HG2 LYS 14 0.027 -9.089 -1.465 86 HG3 LYS 14 HG1 LYS 14 1.454 -8.932 -0.442 87 HD2 LYS 14 HD2 LYS 14 -1.274 -7.873 0.285 88 HD3 LYS 14 HD1 LYS 14 -0.661 -9.448 0.786 89 HE2 LYS 14 HE2 LYS 14 1.219 -8.339 1.916 90 HE3 LYS 14 HE1 LYS 14 0.570 -6.771 1.437 91 HZ1 LYS 14 HZ1 LYS 14 -0.070 -7.262 3.675 92 HZ2 LYS 14 HZ2 LYS 14 -0.733 -8.747 3.224 93 HZ3 LYS 14 HZ3 LYS 14 -1.447 -7.307 2.699 94 H CYS 15 HN CYS 15 0.347 -4.011 -1.738 95 HA CYS 15 HA CYS 15 -0.846 -3.161 0.687 96 HB2 CYS 15 HB2 CYS 15 1.073 -1.992 -0.318 97 HB3 CYS 15 HB1 CYS 15 0.079 -1.529 -1.695 98 H HIS 16 HN HIS 16 -1.718 -2.732 -2.710 99 HA HIS 16 HA HIS 16 -4.138 -1.417 -2.487 100 HB2 HIS 16 HB2 HIS 16 -3.028 -1.856 -4.617 101 HB3 HIS 16 HB1 HIS 16 -3.286 -3.583 -4.427 102 HD1 HIS 16 HD1 HIS 16 -4.994 -0.439 -5.466 103 HD2 HIS 16 HD2 HIS 16 -5.850 -4.486 -5.084 104 HE1 HIS 16 HE1 HIS 16 -7.197 -0.771 -6.619 105 HE2 HIS 16 HE2 HIS 16 -7.523 -3.265 -6.640 106 H ASN 17 HN ASN 17 -3.568 -4.914 -2.535 107 HA ASN 17 HA ASN 17 -6.210 -5.735 -2.133 108 HB2 ASN 17 HB2 ASN 17 -3.567 -7.084 -1.638 109 HB3 ASN 17 HB1 ASN 17 -5.094 -7.897 -1.327 110 HD21 ASN 17 HD21 ASN 17 -3.009 -8.543 -3.239 111 HD22 ASN 17 HD22 ASN 17 -3.754 -8.518 -4.795 112 H HIS 18 HN HIS 18 -3.725 -4.843 0.219 113 HA HIS 18 HA HIS 18 -5.048 -5.776 2.513 114 HB2 HIS 18 HB2 HIS 18 -2.874 -5.098 2.981 115 HB3 HIS 18 HB1 HIS 18 -3.003 -3.637 2.008 116 HD1 HIS 18 HD1 HIS 18 -4.350 -4.988 5.312 117 HD2 HIS 18 HD2 HIS 18 -3.410 -1.399 3.442 118 HE1 HIS 18 HE1 HIS 18 -4.729 -3.207 7.044 119 HE2 HIS 18 HE2 HIS 18 -3.964 -1.071 5.949 120 H CYS 19 HN CYS 19 -5.228 -2.680 0.816 121 HA CYS 19 HA CYS 19 -7.110 -1.539 2.608 122 HB2 CYS 19 HB2 CYS 19 -6.565 -0.761 -0.261 123 HB3 CYS 19 HB1 CYS 19 -7.274 0.251 0.996 124 H LYS 20 HN LYS 20 -7.374 -3.575 -0.207 125 HA LYS 20 HA LYS 20 -10.074 -3.155 -0.848 126 HB2 LYS 20 HB2 LYS 20 -8.556 -5.757 -1.032 127 HB3 LYS 20 HB1 LYS 20 -10.012 -5.333 -1.916 128 HG2 LYS 20 HG2 LYS 20 -7.428 -3.850 -2.181 129 HG3 LYS 20 HG1 LYS 20 -7.876 -5.210 -3.209 130 HD2 LYS 20 HD2 LYS 20 -9.656 -2.818 -2.922 131 HD3 LYS 20 HD1 LYS 20 -8.294 -2.817 -4.041 132 HE2 LYS 20 HE2 LYS 20 -10.181 -3.467 -5.308 133 HE3 LYS 20 HE1 LYS 20 -9.244 -4.928 -5.026 134 HZ1 LYS 20 HZ1 LYS 20 -11.664 -5.208 -4.743 135 HZ2 LYS 20 HZ2 LYS 20 -11.620 -4.145 -3.430 136 HZ3 LYS 20 HZ3 LYS 20 -10.785 -5.615 -3.358 137 H SER 21 HN SER 21 -8.510 -4.929 1.674 138 HA SER 21 HA SER 21 -10.897 -6.417 2.384 139 HB2 SER 21 HB2 SER 21 -8.180 -6.384 3.709 140 HB3 SER 21 HB1 SER 21 -9.457 -7.578 3.946 141 HG SER 21 HG SER 21 -7.735 -7.204 1.763 142 H ILE 22 HN ILE 22 -9.911 -3.354 2.917 143 HA ILE 22 HA ILE 22 -11.017 -3.279 5.636 144 HB ILE 22 HB ILE 22 -9.684 -1.017 4.167 145 HG12 ILE 22 HG12 ILE 22 -8.500 -2.909 6.198 146 HG13 ILE 22 HG11 ILE 22 -8.066 -2.841 4.495 147 HG21 ILE 22 HG21 ILE 22 -10.525 -1.430 7.017 148 HG22 ILE 22 HG22 ILE 22 -11.061 -0.182 5.888 149 HG23 ILE 22 HG23 ILE 22 -9.413 -0.156 6.517 150 HD11 ILE 22 HD11 ILE 22 -7.673 -0.643 6.502 151 HD12 ILE 22 HD12 ILE 22 -7.214 -0.590 4.801 152 HD13 ILE 22 HD13 ILE 22 -6.422 -1.726 5.892 153 H LYS 23 HN LYS 23 -12.798 -2.230 6.078 154 HA LYS 23 HA LYS 23 -15.080 -2.236 5.290 155 HB2 LYS 23 HB2 LYS 23 -15.386 0.413 5.214 156 HB3 LYS 23 HB1 LYS 23 -15.109 -0.485 6.700 157 HG2 LYS 23 HG2 LYS 23 -12.748 0.050 6.605 158 HG3 LYS 23 HG1 LYS 23 -12.981 0.894 5.076 159 HD2 LYS 23 HD2 LYS 23 -12.842 2.459 6.929 160 HD3 LYS 23 HD1 LYS 23 -14.441 2.503 6.189 161 HE2 LYS 23 HE2 LYS 23 -14.643 2.561 8.601 162 HE3 LYS 23 HE1 LYS 23 -15.284 1.045 7.978 163 HZ1 LYS 23 HZ1 LYS 23 -12.591 1.396 9.172 164 HZ2 LYS 23 HZ2 LYS 23 -13.248 -0.058 8.621 165 HZ3 LYS 23 HZ3 LYS 23 -13.924 0.719 9.957 166 H GLY 24 HN GLY 24 -14.410 0.734 3.649 167 HA2 GLY 24 HA2 GLY 24 -15.291 -0.540 1.136 168 HA3 GLY 24 HA1 GLY 24 -15.926 1.001 1.692 169 H TYR 25 HN TYR 25 -12.565 0.157 2.049 170 HA TYR 25 HA TYR 25 -11.688 2.467 0.663 171 HB2 TYR 25 HB2 TYR 25 -10.200 -0.032 1.480 172 HB3 TYR 25 HB1 TYR 25 -9.422 1.386 0.789 173 HD1 TYR 25 HD1 TYR 25 -12.005 2.661 2.661 174 HD2 TYR 25 HD2 TYR 25 -8.233 0.767 3.180 175 HE1 TYR 25 HE1 TYR 25 -11.827 3.646 4.904 176 HE2 TYR 25 HE2 TYR 25 -8.047 1.737 5.430 177 HH TYR 25 HH TYR 25 -10.688 3.252 6.999 178 H LYS 26 HN LYS 26 -10.554 2.628 -1.305 179 HA LYS 26 HA LYS 26 -11.718 0.919 -3.350 180 HB2 LYS 26 HB2 LYS 26 -11.947 3.279 -3.696 181 HB3 LYS 26 HB1 LYS 26 -10.233 3.544 -3.413 182 HG2 LYS 26 HG2 LYS 26 -9.693 2.407 -5.483 183 HG3 LYS 26 HG1 LYS 26 -11.404 2.062 -5.757 184 HD2 LYS 26 HD2 LYS 26 -11.923 4.341 -6.067 185 HD3 LYS 26 HD1 LYS 26 -10.376 4.866 -5.400 186 HE2 LYS 26 HE2 LYS 26 -10.414 5.106 -7.823 187 HE3 LYS 26 HE1 LYS 26 -9.219 3.914 -7.321 188 HZ1 LYS 26 HZ1 LYS 26 -11.928 3.320 -8.388 189 HZ2 LYS 26 HZ2 LYS 26 -10.797 2.167 -7.893 190 HZ3 LYS 26 HZ3 LYS 26 -10.470 3.147 -9.229 191 H GLY 27 HN GLY 27 -8.505 2.124 -2.398 192 HA2 GLY 27 HA2 GLY 27 -7.317 -0.393 -3.135 193 HA3 GLY 27 HA1 GLY 27 -6.914 0.899 -4.250 194 H GLY 28 HN GLY 28 -4.742 0.145 -3.370 195 HA2 GLY 28 HA2 GLY 28 -3.970 2.052 -1.296 196 HA3 GLY 28 HA1 GLY 28 -3.575 0.359 -1.029 197 H TYR 29 HN TYR 29 -1.678 2.461 -1.223 198 HA TYR 29 HA TYR 29 -0.010 1.420 -3.327 199 HB2 TYR 29 HB2 TYR 29 0.330 3.471 -4.543 200 HB3 TYR 29 HB1 TYR 29 -1.394 3.124 -4.520 201 HD1 TYR 29 HD1 TYR 29 1.069 5.594 -3.976 202 HD2 TYR 29 HD2 TYR 29 -2.760 4.319 -2.640 203 HE1 TYR 29 HE1 TYR 29 0.644 7.837 -3.072 204 HE2 TYR 29 HE2 TYR 29 -3.197 6.560 -1.735 205 HH TYR 29 HH TYR 29 -1.897 8.511 -0.943 206 H CYS 30 HN CYS 30 2.158 2.364 -3.283 207 HA CYS 30 HA CYS 30 3.006 2.795 -0.556 208 HB2 CYS 30 HB2 CYS 30 4.810 2.904 -2.957 209 HB3 CYS 30 HB1 CYS 30 5.167 2.350 -1.328 210 H ALA 31 HN ALA 31 2.856 4.797 0.246 211 HA ALA 31 HA ALA 31 2.829 7.099 -1.488 212 HB1 ALA 31 HB1 ALA 31 2.789 7.035 1.527 213 HB2 ALA 31 HB2 ALA 31 1.356 6.874 0.507 214 HB3 ALA 31 HB3 ALA 31 2.296 8.367 0.478 215 H LYS 32 HN LYS 32 4.778 6.240 1.360 216 HA LYS 32 HA LYS 32 6.727 8.252 0.634 217 HB2 LYS 32 HB2 LYS 32 5.878 7.952 2.968 218 HB3 LYS 32 HB1 LYS 32 6.685 6.396 3.015 219 HG2 LYS 32 HG2 LYS 32 7.949 8.151 4.156 220 HG3 LYS 32 HG1 LYS 32 8.832 7.448 2.803 221 HD2 LYS 32 HD2 LYS 32 8.252 9.357 1.408 222 HD3 LYS 32 HD1 LYS 32 7.284 10.039 2.716 223 HE2 LYS 32 HE2 LYS 32 9.320 10.192 4.098 224 HE3 LYS 32 HE1 LYS 32 10.265 9.576 2.744 225 HZ1 LYS 32 HZ1 LYS 32 8.746 12.124 2.840 226 HZ2 LYS 32 HZ2 LYS 32 9.501 11.520 1.454 227 HZ3 LYS 32 HZ3 LYS 32 10.426 11.944 2.804 228 H GLY 33 HN GLY 33 6.807 6.417 -1.320 229 HA2 GLY 33 HA2 GLY 33 8.454 5.407 -2.562 230 HA3 GLY 33 HA1 GLY 33 9.585 5.844 -1.295 231 H GLY 34 HN GLY 34 6.750 3.829 -0.808 232 HA2 GLY 34 HA2 GLY 34 6.706 1.447 -0.881 233 HA3 GLY 34 HA1 GLY 34 8.454 1.443 -0.794 234 H PHE 35 HN PHE 35 8.317 3.460 1.452 235 HA PHE 35 HA PHE 35 8.542 1.507 3.493 236 HB2 PHE 35 HB2 PHE 35 8.545 4.524 3.603 237 HB3 PHE 35 HB1 PHE 35 8.799 3.512 5.020 238 HD1 PHE 35 HD1 PHE 35 10.339 5.157 2.295 239 HD2 PHE 35 HD2 PHE 35 10.727 1.794 4.874 240 HE1 PHE 35 HE1 PHE 35 12.732 5.014 1.743 241 HE2 PHE 35 HE2 PHE 35 13.122 1.648 4.329 242 HZ PHE 35 HZ PHE 35 14.139 3.296 2.812 243 H VAL 36 HN VAL 36 5.813 3.287 2.369 244 HA VAL 36 HA VAL 36 4.343 2.393 4.757 245 HB VAL 36 HB VAL 36 3.113 4.332 4.967 246 HG11 VAL 36 HG11 VAL 36 5.214 4.994 5.717 247 HG12 VAL 36 HG12 VAL 36 4.711 6.306 4.644 248 HG13 VAL 36 HG13 VAL 36 5.868 5.101 4.082 249 HG21 VAL 36 HG21 VAL 36 2.270 4.543 2.743 250 HG22 VAL 36 HG22 VAL 36 3.849 5.040 2.138 251 HG23 VAL 36 HG23 VAL 36 2.952 6.097 3.229 252 H CYS 37 HN CYS 37 2.058 2.049 4.387 253 HA CYS 37 HA CYS 37 1.353 1.497 1.587 254 HB2 CYS 37 HB2 CYS 37 1.697 -0.620 2.733 255 HB3 CYS 37 HB1 CYS 37 0.664 -0.107 4.061 256 H LYS 38 HN LYS 38 0.120 3.270 1.182 257 HA LYS 38 HA LYS 38 -1.809 4.135 3.195 258 HB2 LYS 38 HB2 LYS 38 -0.352 5.829 2.098 259 HB3 LYS 38 HB1 LYS 38 -1.095 5.425 0.553 260 HG2 LYS 38 HG2 LYS 38 -3.311 5.994 1.695 261 HG3 LYS 38 HG1 LYS 38 -2.318 6.767 2.926 262 HD2 LYS 38 HD2 LYS 38 -1.362 8.246 1.298 263 HD3 LYS 38 HD1 LYS 38 -2.177 7.380 -0.006 264 HE2 LYS 38 HE2 LYS 38 -3.326 9.477 0.564 265 HE3 LYS 38 HE1 LYS 38 -4.339 8.058 0.836 266 HZ1 LYS 38 HZ1 LYS 38 -2.867 9.598 2.912 267 HZ2 LYS 38 HZ2 LYS 38 -3.743 8.182 3.204 268 HZ3 LYS 38 HZ3 LYS 38 -4.542 9.574 2.677 269 H CYS 39 HN CYS 39 -4.016 4.669 2.456 270 HA CYS 39 HA CYS 39 -4.936 2.912 0.284 271 HB2 CYS 39 HB2 CYS 39 -6.364 3.376 2.911 272 HB3 CYS 39 HB1 CYS 39 -6.938 2.379 1.584 273 H TYR 40 HN TYR 40 -6.954 3.596 -0.697 274 HA TYR 40 HA TYR 40 -7.849 6.286 -0.071 275 HB2 TYR 40 HB2 TYR 40 -7.865 6.853 -2.524 276 HB3 TYR 40 HB1 TYR 40 -6.264 6.769 -1.794 277 HD1 TYR 40 HD1 TYR 40 -4.691 5.011 -2.460 278 HD2 TYR 40 HD2 TYR 40 -8.601 5.188 -4.142 279 HE1 TYR 40 HE1 TYR 40 -4.009 3.440 -4.215 280 HE2 TYR 40 HE2 TYR 40 -7.916 3.612 -5.901 281 HH TYR 40 HH TYR 40 -4.983 1.864 -5.766 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 2.316 -2.681 8.153 2 H2 GLY 1 HT2 GLY 1 2.779 -1.846 6.755 3 H3 GLY 1 HT3 GLY 1 3.828 -1.928 8.076 4 HA2 GLY 1 HA1 GLY 1 4.534 -3.438 6.336 5 HA3 GLY 1 HA2 GLY 1 4.080 -4.297 7.800 6 H PHE 2 HN PHE 2 2.720 -3.157 4.724 7 HA PHE 2 HA PHE 2 1.254 -5.696 4.552 8 HB2 PHE 2 HB2 PHE 2 0.137 -2.953 3.952 9 HB3 PHE 2 HB1 PHE 2 -0.676 -4.469 3.573 10 HD1 PHE 2 HD1 PHE 2 -0.311 -1.910 5.940 11 HD2 PHE 2 HD2 PHE 2 -1.027 -6.087 5.592 12 HE1 PHE 2 HE1 PHE 2 -1.302 -1.921 8.188 13 HE2 PHE 2 HE2 PHE 2 -2.022 -6.107 7.841 14 HZ PHE 2 HZ PHE 2 -2.199 -4.045 9.127 15 H GLY 3 HN GLY 3 3.370 -5.909 3.314 16 HA2 GLY 3 HA2 GLY 3 3.813 -6.624 1.074 17 HA3 GLY 3 HA1 GLY 3 2.793 -5.312 0.496 18 H CYS 4 HN CYS 4 3.653 -3.093 1.473 19 HA CYS 4 HA CYS 4 6.195 -2.657 0.317 20 HB2 CYS 4 HB2 CYS 4 4.869 -0.745 2.214 21 HB3 CYS 4 HB1 CYS 4 5.826 -0.409 0.792 22 H ASN 5 HN ASN 5 7.894 -3.608 1.286 23 HA ASN 5 HA ASN 5 8.275 -3.141 4.176 24 HB2 ASN 5 HB2 ASN 5 9.381 -5.402 2.473 25 HB3 ASN 5 HB1 ASN 5 9.665 -5.175 4.196 26 HD21 ASN 5 HD21 ASN 5 7.043 -4.390 4.876 27 HD22 ASN 5 HD22 ASN 5 6.025 -5.786 4.754 28 H GLY 6 HN GLY 6 8.934 -1.239 2.293 29 HA2 GLY 6 HA2 GLY 6 11.022 0.068 2.460 30 HA3 GLY 6 HA1 GLY 6 11.875 -1.431 2.105 31 HA PRO 7 HA PRO 7 10.715 1.292 -1.764 32 HB2 PRO 7 HB2 PRO 7 13.470 1.302 -2.436 33 HB3 PRO 7 HB1 PRO 7 12.496 2.677 -1.910 34 HG2 PRO 7 HG2 PRO 7 14.365 0.973 -0.375 35 HG3 PRO 7 HG1 PRO 7 13.903 2.663 -0.112 36 HD2 PRO 7 HD2 PRO 7 13.027 0.669 1.471 37 HD3 PRO 7 HD1 PRO 7 12.027 2.089 1.102 38 H TRP 8 HN TRP 8 12.928 -1.357 -1.086 39 HA TRP 8 HA TRP 8 13.036 -2.237 -3.819 40 HB2 TRP 8 HB2 TRP 8 13.989 -3.860 -1.490 41 HB3 TRP 8 HB1 TRP 8 14.687 -3.694 -3.094 42 HD1 TRP 8 HD1 TRP 8 14.572 -1.988 0.301 43 HE1 TRP 8 HE1 TRP 8 16.457 -0.234 0.421 44 HE3 TRP 8 HE3 TRP 8 16.130 -2.155 -4.558 45 HZ2 TRP 8 HZ2 TRP 8 18.339 0.926 -1.324 46 HZ3 TRP 8 HZ3 TRP 8 17.977 -0.688 -5.254 47 HH2 TRP 8 HH2 TRP 8 19.055 0.818 -3.668 48 H GLN 9 HN GLN 9 10.957 -2.732 -1.191 49 HA GLN 9 HA GLN 9 10.085 -5.360 -2.202 50 HB2 GLN 9 HB2 GLN 9 9.310 -4.131 0.424 51 HB3 GLN 9 HB1 GLN 9 9.225 -5.824 -0.046 52 HG2 GLN 9 HG2 GLN 9 11.889 -5.288 -0.288 53 HG3 GLN 9 HG1 GLN 9 11.433 -4.277 1.069 54 HE21 GLN 9 HE21 GLN 9 9.886 -7.320 0.284 55 HE22 GLN 9 HE22 GLN 9 10.454 -8.179 1.672 56 H GLU 10 HN GLU 10 9.411 -2.186 -2.346 57 HA GLU 10 HA GLU 10 6.816 -1.610 -2.029 58 HB2 GLU 10 HB2 GLU 10 8.774 -0.302 -3.113 59 HB3 GLU 10 HB1 GLU 10 8.182 -0.971 -4.627 60 HG2 GLU 10 HG2 GLU 10 6.255 0.398 -2.854 61 HG3 GLU 10 HG1 GLU 10 7.423 1.376 -3.728 62 H ASP 11 HN ASP 11 5.032 -2.705 -2.481 63 HA ASP 11 HA ASP 11 4.688 -3.762 -5.187 64 HB2 ASP 11 HB2 ASP 11 5.253 -5.656 -3.623 65 HB3 ASP 11 HB1 ASP 11 3.777 -5.279 -2.737 66 H ASP 12 HN ASP 12 3.055 -2.809 -6.032 67 HA ASP 12 HA ASP 12 1.312 -1.104 -4.651 68 HB2 ASP 12 HB2 ASP 12 1.952 -0.865 -7.029 69 HB3 ASP 12 HB1 ASP 12 0.994 -2.287 -7.413 70 H LEU 13 HN LEU 13 0.858 -4.377 -5.934 71 HA LEU 13 HA LEU 13 -1.953 -4.310 -5.513 72 HB2 LEU 13 HB2 LEU 13 -0.747 -5.711 -7.223 73 HB3 LEU 13 HB1 LEU 13 -0.295 -6.779 -5.907 74 HG LEU 13 HG LEU 13 -2.719 -7.106 -5.397 75 HD11 LEU 13 HD11 LEU 13 -4.349 -6.469 -7.118 76 HD12 LEU 13 HD12 LEU 13 -3.089 -5.568 -7.960 77 HD13 LEU 13 HD13 LEU 13 -3.597 -5.073 -6.343 78 HD21 LEU 13 HD21 LEU 13 -1.485 -8.741 -6.717 79 HD22 LEU 13 HD22 LEU 13 -1.839 -7.837 -8.190 80 HD23 LEU 13 HD23 LEU 13 -3.148 -8.601 -7.287 81 H LYS 14 HN LYS 14 0.771 -5.626 -3.675 82 HA LYS 14 HA LYS 14 -0.728 -7.043 -1.755 83 HB2 LYS 14 HB2 LYS 14 1.935 -5.622 -1.581 84 HB3 LYS 14 HB1 LYS 14 1.273 -6.560 -0.251 85 HG2 LYS 14 HG2 LYS 14 1.592 -7.777 -2.960 86 HG3 LYS 14 HG1 LYS 14 2.958 -7.667 -1.850 87 HD2 LYS 14 HD2 LYS 14 0.327 -8.873 -1.042 88 HD3 LYS 14 HD1 LYS 14 1.600 -9.823 -1.809 89 HE2 LYS 14 HE2 LYS 14 1.853 -8.262 0.761 90 HE3 LYS 14 HE1 LYS 14 1.696 -10.013 0.624 91 HZ1 LYS 14 HZ1 LYS 14 3.949 -8.378 -0.416 92 HZ2 LYS 14 HZ2 LYS 14 3.787 -10.047 -0.610 93 HZ3 LYS 14 HZ3 LYS 14 3.993 -9.395 0.933 94 H CYS 15 HN CYS 15 0.361 -3.656 -1.786 95 HA CYS 15 HA CYS 15 -0.900 -2.978 0.664 96 HB2 CYS 15 HB2 CYS 15 0.923 -1.639 -0.379 97 HB3 CYS 15 HB1 CYS 15 -0.198 -1.151 -1.646 98 H HIS 16 HN HIS 16 -1.861 -2.795 -2.730 99 HA HIS 16 HA HIS 16 -4.351 -1.591 -2.489 100 HB2 HIS 16 HB2 HIS 16 -3.284 -2.094 -4.638 101 HB3 HIS 16 HB1 HIS 16 -3.459 -3.815 -4.340 102 HD1 HIS 16 HD1 HIS 16 -5.312 -0.832 -5.547 103 HD2 HIS 16 HD2 HIS 16 -6.044 -4.836 -4.735 104 HE1 HIS 16 HE1 HIS 16 -7.576 -1.314 -6.511 105 HE2 HIS 16 HE2 HIS 16 -7.830 -3.809 -6.296 106 H ASN 17 HN ASN 17 -3.537 -5.022 -2.412 107 HA ASN 17 HA ASN 17 -6.044 -6.098 -1.929 108 HB2 ASN 17 HB2 ASN 17 -3.233 -7.000 -1.474 109 HB3 ASN 17 HB1 ASN 17 -4.531 -7.960 -0.791 110 HD21 ASN 17 HD21 ASN 17 -2.632 -8.614 -2.889 111 HD22 ASN 17 HD22 ASN 17 -3.572 -9.011 -4.279 112 H HIS 18 HN HIS 18 -3.650 -4.881 0.363 113 HA HIS 18 HA HIS 18 -4.907 -5.698 2.727 114 HB2 HIS 18 HB2 HIS 18 -2.763 -4.916 3.088 115 HB3 HIS 18 HB1 HIS 18 -2.958 -3.558 1.988 116 HD1 HIS 18 HD1 HIS 18 -4.347 -4.596 5.395 117 HD2 HIS 18 HD2 HIS 18 -3.181 -1.217 3.273 118 HE1 HIS 18 HE1 HIS 18 -4.613 -2.666 6.991 119 HE2 HIS 18 HE2 HIS 18 -3.771 -0.656 5.728 120 H CYS 19 HN CYS 19 -5.259 -2.730 0.836 121 HA CYS 19 HA CYS 19 -7.075 -1.496 2.639 122 HB2 CYS 19 HB2 CYS 19 -6.700 -0.892 -0.297 123 HB3 CYS 19 HB1 CYS 19 -7.322 0.191 0.943 124 H LYS 20 HN LYS 20 -7.441 -3.934 0.290 125 HA LYS 20 HA LYS 20 -10.127 -3.406 -0.492 126 HB2 LYS 20 HB2 LYS 20 -8.645 -6.038 -0.531 127 HB3 LYS 20 HB1 LYS 20 -10.098 -5.645 -1.440 128 HG2 LYS 20 HG2 LYS 20 -7.487 -4.207 -1.767 129 HG3 LYS 20 HG1 LYS 20 -7.977 -5.584 -2.755 130 HD2 LYS 20 HD2 LYS 20 -9.638 -3.093 -2.488 131 HD3 LYS 20 HD1 LYS 20 -8.380 -3.274 -3.715 132 HE2 LYS 20 HE2 LYS 20 -9.491 -5.120 -4.701 133 HE3 LYS 20 HE1 LYS 20 -10.637 -5.233 -3.365 134 HZ1 LYS 20 HZ1 LYS 20 -10.449 -2.977 -5.286 135 HZ2 LYS 20 HZ2 LYS 20 -11.560 -3.103 -4.020 136 HZ3 LYS 20 HZ3 LYS 20 -11.622 -4.194 -5.309 137 H SER 21 HN SER 21 -8.640 -4.898 2.231 138 HA SER 21 HA SER 21 -11.036 -6.302 3.057 139 HB2 SER 21 HB2 SER 21 -8.762 -7.252 3.447 140 HB3 SER 21 HB1 SER 21 -8.420 -5.911 4.538 141 HG SER 21 HG SER 21 -10.274 -6.646 5.778 142 H ILE 22 HN ILE 22 -9.844 -3.164 3.270 143 HA ILE 22 HA ILE 22 -11.121 -2.645 5.854 144 HB ILE 22 HB ILE 22 -9.583 -0.659 4.192 145 HG12 ILE 22 HG12 ILE 22 -8.543 -2.414 6.422 146 HG13 ILE 22 HG11 ILE 22 -8.128 -2.587 4.719 147 HG21 ILE 22 HG21 ILE 22 -10.864 0.458 5.811 148 HG22 ILE 22 HG22 ILE 22 -9.245 0.348 6.499 149 HG23 ILE 22 HG23 ILE 22 -10.511 -0.750 7.044 150 HD11 ILE 22 HD11 ILE 22 -7.528 -0.205 6.450 151 HD12 ILE 22 HD12 ILE 22 -7.088 -0.391 4.752 152 HD13 ILE 22 HD13 ILE 22 -6.379 -1.453 5.968 153 H LYS 23 HN LYS 23 -12.777 -1.286 6.106 154 HA LYS 23 HA LYS 23 -15.042 -1.381 5.171 155 HB2 LYS 23 HB2 LYS 23 -15.332 1.214 4.993 156 HB3 LYS 23 HB1 LYS 23 -14.984 0.433 6.529 157 HG2 LYS 23 HG2 LYS 23 -12.557 0.943 6.075 158 HG3 LYS 23 HG1 LYS 23 -13.105 1.964 4.751 159 HD2 LYS 23 HD2 LYS 23 -13.785 2.259 7.673 160 HD3 LYS 23 HD1 LYS 23 -12.726 3.300 6.726 161 HE2 LYS 23 HE2 LYS 23 -15.641 2.899 6.090 162 HE3 LYS 23 HE1 LYS 23 -15.058 4.174 7.153 163 HZ1 LYS 23 HZ1 LYS 23 -13.762 5.071 5.337 164 HZ2 LYS 23 HZ2 LYS 23 -15.384 4.949 4.879 165 HZ3 LYS 23 HZ3 LYS 23 -14.264 3.822 4.316 166 H GLY 24 HN GLY 24 -14.019 1.423 3.339 167 HA2 GLY 24 HA2 GLY 24 -15.045 0.061 0.931 168 HA3 GLY 24 HA1 GLY 24 -15.494 1.707 1.351 169 H TYR 25 HN TYR 25 -12.267 0.785 2.003 170 HA TYR 25 HA TYR 25 -11.151 2.733 0.301 171 HB2 TYR 25 HB2 TYR 25 -9.848 0.282 1.503 172 HB3 TYR 25 HB1 TYR 25 -8.981 1.608 0.746 173 HD1 TYR 25 HD1 TYR 25 -11.526 3.249 2.265 174 HD2 TYR 25 HD2 TYR 25 -8.058 1.034 3.331 175 HE1 TYR 25 HE1 TYR 25 -11.446 4.427 4.419 176 HE2 TYR 25 HE2 TYR 25 -7.970 2.202 5.490 177 HH TYR 25 HH TYR 25 -10.536 4.055 6.695 178 H LYS 26 HN LYS 26 -10.737 2.730 -1.785 179 HA LYS 26 HA LYS 26 -11.715 0.646 -3.448 180 HB2 LYS 26 HB2 LYS 26 -11.828 2.935 -4.189 181 HB3 LYS 26 HB1 LYS 26 -10.084 3.121 -4.024 182 HG2 LYS 26 HG2 LYS 26 -9.717 1.577 -5.849 183 HG3 LYS 26 HG1 LYS 26 -11.453 1.290 -5.988 184 HD2 LYS 26 HD2 LYS 26 -10.729 2.845 -7.701 185 HD3 LYS 26 HD1 LYS 26 -11.775 3.670 -6.548 186 HE2 LYS 26 HE2 LYS 26 -9.830 4.621 -5.440 187 HE3 LYS 26 HE1 LYS 26 -8.761 3.751 -6.537 188 HZ1 LYS 26 HZ1 LYS 26 -9.031 6.041 -7.217 189 HZ2 LYS 26 HZ2 LYS 26 -10.707 5.854 -7.314 190 HZ3 LYS 26 HZ3 LYS 26 -9.703 5.012 -8.379 191 H GLY 27 HN GLY 27 -8.486 1.812 -2.649 192 HA2 GLY 27 HA2 GLY 27 -7.336 -0.771 -3.060 193 HA3 GLY 27 HA1 GLY 27 -6.929 0.350 -4.356 194 H GLY 28 HN GLY 28 -4.723 -0.063 -3.533 195 HA2 GLY 28 HA2 GLY 28 -4.017 1.996 -1.613 196 HA3 GLY 28 HA1 GLY 28 -3.655 0.351 -1.113 197 H TYR 29 HN TYR 29 -1.605 2.019 -1.235 198 HA TYR 29 HA TYR 29 0.142 0.785 -3.108 199 HB2 TYR 29 HB2 TYR 29 0.733 2.654 -4.485 200 HB3 TYR 29 HB1 TYR 29 -1.014 2.499 -4.564 201 HD1 TYR 29 HD1 TYR 29 1.600 4.768 -4.230 202 HD2 TYR 29 HD2 TYR 29 -2.285 3.960 -2.699 203 HE1 TYR 29 HE1 TYR 29 1.386 7.121 -3.551 204 HE2 TYR 29 HE2 TYR 29 -2.511 6.305 -2.008 205 HH TYR 29 HH TYR 29 -0.978 8.214 -1.433 206 H CYS 30 HN CYS 30 2.358 1.435 -2.748 207 HA CYS 30 HA CYS 30 2.852 2.249 -0.039 208 HB2 CYS 30 HB2 CYS 30 4.948 2.040 -2.194 209 HB3 CYS 30 HB1 CYS 30 5.115 1.769 -0.466 210 H ALA 31 HN ALA 31 2.742 4.325 0.560 211 HA ALA 31 HA ALA 31 2.415 6.345 -1.418 212 HB1 ALA 31 HB1 ALA 31 2.754 6.670 1.553 213 HB2 ALA 31 HB2 ALA 31 1.228 6.373 0.724 214 HB3 ALA 31 HB3 ALA 31 2.113 7.869 0.432 215 H LYS 32 HN LYS 32 5.013 5.594 0.853 216 HA LYS 32 HA LYS 32 6.692 7.538 -0.570 217 HB2 LYS 32 HB2 LYS 32 6.729 7.030 2.410 218 HB3 LYS 32 HB1 LYS 32 7.740 8.170 1.537 219 HG2 LYS 32 HG2 LYS 32 4.743 8.324 1.777 220 HG3 LYS 32 HG1 LYS 32 5.901 9.274 2.708 221 HD2 LYS 32 HD2 LYS 32 6.714 10.322 0.671 222 HD3 LYS 32 HD1 LYS 32 5.631 9.320 -0.297 223 HE2 LYS 32 HE2 LYS 32 4.694 11.539 -0.017 224 HE3 LYS 32 HE1 LYS 32 3.702 10.345 0.817 225 HZ1 LYS 32 HZ1 LYS 32 4.046 12.337 2.150 226 HZ2 LYS 32 HZ2 LYS 32 5.718 12.098 2.109 227 HZ3 LYS 32 HZ3 LYS 32 4.726 10.983 2.898 228 H GLY 33 HN GLY 33 7.365 5.623 -1.771 229 HA2 GLY 33 HA2 GLY 33 9.439 4.644 -2.257 230 HA3 GLY 33 HA1 GLY 33 9.856 4.729 -0.552 231 H GLY 34 HN GLY 34 7.989 3.411 0.720 232 HA2 GLY 34 HA2 GLY 34 6.796 1.152 -0.174 233 HA3 GLY 34 HA1 GLY 34 8.475 0.672 -0.060 234 H PHE 35 HN PHE 35 6.977 2.972 2.103 235 HA PHE 35 HA PHE 35 7.387 1.022 4.270 236 HB2 PHE 35 HB2 PHE 35 7.427 4.048 4.256 237 HB3 PHE 35 HB1 PHE 35 7.441 3.097 5.732 238 HD1 PHE 35 HD1 PHE 35 9.357 4.215 2.849 239 HD2 PHE 35 HD2 PHE 35 9.396 1.746 6.315 240 HE1 PHE 35 HE1 PHE 35 11.804 4.038 2.691 241 HE2 PHE 35 HE2 PHE 35 11.845 1.567 6.163 242 HZ PHE 35 HZ PHE 35 13.049 2.704 4.335 243 H VAL 36 HN VAL 36 5.343 3.799 3.460 244 HA VAL 36 HA VAL 36 3.279 2.860 5.255 245 HB VAL 36 HB VAL 36 3.538 5.133 5.513 246 HG11 VAL 36 HG11 VAL 36 3.820 6.726 3.634 247 HG12 VAL 36 HG12 VAL 36 3.860 5.349 2.530 248 HG13 VAL 36 HG13 VAL 36 5.113 5.529 3.763 249 HG21 VAL 36 HG21 VAL 36 1.394 4.910 3.404 250 HG22 VAL 36 HG22 VAL 36 1.614 6.284 4.486 251 HG23 VAL 36 HG23 VAL 36 1.182 4.706 5.143 252 H CYS 37 HN CYS 37 1.498 1.869 4.673 253 HA CYS 37 HA CYS 37 0.963 1.399 1.847 254 HB2 CYS 37 HB2 CYS 37 1.080 -0.535 3.417 255 HB3 CYS 37 HB1 CYS 37 -0.283 0.134 4.305 256 H LYS 38 HN LYS 38 0.054 3.292 1.221 257 HA LYS 38 HA LYS 38 -2.059 4.545 2.742 258 HB2 LYS 38 HB2 LYS 38 -0.506 5.997 1.632 259 HB3 LYS 38 HB1 LYS 38 -0.761 5.184 0.100 260 HG2 LYS 38 HG2 LYS 38 -1.859 7.316 0.074 261 HG3 LYS 38 HG1 LYS 38 -3.064 6.033 0.049 262 HD2 LYS 38 HD2 LYS 38 -3.494 6.351 2.410 263 HD3 LYS 38 HD1 LYS 38 -2.220 7.568 2.502 264 HE2 LYS 38 HE2 LYS 38 -4.646 7.805 0.718 265 HE3 LYS 38 HE1 LYS 38 -4.555 8.480 2.349 266 HZ1 LYS 38 HZ1 LYS 38 -2.838 9.202 0.036 267 HZ2 LYS 38 HZ2 LYS 38 -2.607 9.773 1.611 268 HZ3 LYS 38 HZ3 LYS 38 -4.016 10.171 0.767 269 H CYS 39 HN CYS 39 -4.163 4.660 2.192 270 HA CYS 39 HA CYS 39 -5.104 2.943 -0.001 271 HB2 CYS 39 HB2 CYS 39 -6.448 3.303 2.685 272 HB3 CYS 39 HB1 CYS 39 -6.981 2.254 1.379 273 H TYR 40 HN TYR 40 -7.199 3.596 -0.876 274 HA TYR 40 HA TYR 40 -8.037 6.276 -0.105 275 HB2 TYR 40 HB2 TYR 40 -8.321 6.652 -2.710 276 HB3 TYR 40 HB1 TYR 40 -6.811 7.016 -1.875 277 HD1 TYR 40 HD1 TYR 40 -4.865 6.290 -2.850 278 HD2 TYR 40 HD2 TYR 40 -8.435 4.116 -3.636 279 HE1 TYR 40 HE1 TYR 40 -3.633 4.833 -4.401 280 HE2 TYR 40 HE2 TYR 40 -7.210 2.654 -5.180 281 HH TYR 40 HH TYR 40 -3.744 2.764 -5.479 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 3.481 -2.722 8.777 2 H2 GLY 1 HT2 GLY 1 5.152 -2.740 8.526 3 H3 GLY 1 HT3 GLY 1 4.289 -4.192 8.578 4 HA2 GLY 1 HA1 GLY 1 3.952 -2.087 6.523 5 HA3 GLY 1 HA2 GLY 1 4.884 -3.561 6.305 6 H PHE 2 HN PHE 2 2.686 -2.799 4.695 7 HA PHE 2 HA PHE 2 0.802 -4.956 5.357 8 HB2 PHE 2 HB2 PHE 2 0.065 -2.212 4.328 9 HB3 PHE 2 HB1 PHE 2 -1.053 -3.555 4.525 10 HD1 PHE 2 HD1 PHE 2 0.716 -0.876 6.156 11 HD2 PHE 2 HD2 PHE 2 -1.594 -4.387 6.791 12 HE1 PHE 2 HE1 PHE 2 0.315 -0.184 8.479 13 HE2 PHE 2 HE2 PHE 2 -2.007 -3.701 9.118 14 HZ PHE 2 HZ PHE 2 -1.105 -1.593 9.955 15 H GLY 3 HN GLY 3 3.116 -4.336 3.364 16 HA2 GLY 3 HA2 GLY 3 2.543 -6.051 1.378 17 HA3 GLY 3 HA1 GLY 3 1.742 -4.588 0.827 18 H CYS 4 HN CYS 4 3.336 -2.581 1.208 19 HA CYS 4 HA CYS 4 5.262 -2.794 -0.766 20 HB2 CYS 4 HB2 CYS 4 5.143 -0.775 1.478 21 HB3 CYS 4 HB1 CYS 4 5.917 -0.572 -0.080 22 H ASN 5 HN ASN 5 5.921 -2.243 2.708 23 HA ASN 5 HA ASN 5 7.607 -2.920 4.067 24 HB2 ASN 5 HB2 ASN 5 7.343 -5.245 2.201 25 HB3 ASN 5 HB1 ASN 5 8.627 -5.232 3.399 26 HD21 ASN 5 HD21 ASN 5 7.109 -3.863 5.391 27 HD22 ASN 5 HD22 ASN 5 5.953 -4.990 6.005 28 H GLY 6 HN GLY 6 8.400 -1.058 2.189 29 HA2 GLY 6 HA2 GLY 6 10.491 -0.066 1.925 30 HA3 GLY 6 HA1 GLY 6 11.248 -1.614 2.263 31 HA PRO 7 HA PRO 7 11.004 -0.153 -2.434 32 HB2 PRO 7 HB2 PRO 7 13.846 -0.098 -2.369 33 HB3 PRO 7 HB1 PRO 7 12.749 1.258 -2.632 34 HG2 PRO 7 HG2 PRO 7 14.179 0.419 -0.199 35 HG3 PRO 7 HG1 PRO 7 13.535 2.011 -0.635 36 HD2 PRO 7 HD2 PRO 7 12.417 0.452 1.267 37 HD3 PRO 7 HD1 PRO 7 11.462 1.551 0.250 38 H TRP 8 HN TRP 8 13.000 -2.313 -0.531 39 HA TRP 8 HA TRP 8 14.304 -3.837 -2.393 40 HB2 TRP 8 HB2 TRP 8 13.034 -5.208 -0.051 41 HB3 TRP 8 HB1 TRP 8 14.654 -5.392 -0.702 42 HD1 TRP 8 HD1 TRP 8 12.648 -2.632 1.144 43 HE1 TRP 8 HE1 TRP 8 14.237 -1.480 2.815 44 HE3 TRP 8 HE3 TRP 8 16.945 -5.188 0.082 45 HZ2 TRP 8 HZ2 TRP 8 16.948 -1.642 3.583 46 HZ3 TRP 8 HZ3 TRP 8 18.990 -4.634 1.329 47 HH2 TRP 8 HH2 TRP 8 18.990 -2.895 3.044 48 H GLN 9 HN GLN 9 11.078 -4.323 -1.064 49 HA GLN 9 HA GLN 9 10.517 -6.206 -3.249 50 HB2 GLN 9 HB2 GLN 9 8.464 -6.668 -1.601 51 HB3 GLN 9 HB1 GLN 9 9.997 -7.512 -1.468 52 HG2 GLN 9 HG2 GLN 9 10.702 -6.007 0.303 53 HG3 GLN 9 HG1 GLN 9 9.214 -5.082 0.138 54 HE21 GLN 9 HE21 GLN 9 7.523 -7.393 -0.275 55 HE22 GLN 9 HE22 GLN 9 7.407 -8.194 1.256 56 H GLU 10 HN GLU 10 8.910 -3.745 -1.243 57 HA GLU 10 HA GLU 10 7.233 -2.292 -1.670 58 HB2 GLU 10 HB2 GLU 10 9.310 -1.528 -3.034 59 HB3 GLU 10 HB1 GLU 10 8.358 -2.009 -4.432 60 HG2 GLU 10 HG2 GLU 10 6.594 -0.470 -3.777 61 HG3 GLU 10 HG1 GLU 10 7.526 -0.015 -2.349 62 H ASP 11 HN ASP 11 6.042 -4.555 -1.775 63 HA ASP 11 HA ASP 11 4.965 -5.291 -4.305 64 HB2 ASP 11 HB2 ASP 11 4.145 -6.028 -1.492 65 HB3 ASP 11 HB1 ASP 11 3.423 -6.713 -2.940 66 H ASP 12 HN ASP 12 4.010 -3.616 -5.251 67 HA ASP 12 HA ASP 12 2.399 -1.648 -4.143 68 HB2 ASP 12 HB2 ASP 12 3.376 -1.388 -6.325 69 HB3 ASP 12 HB1 ASP 12 2.493 -2.775 -6.943 70 H LEU 13 HN LEU 13 1.353 -4.576 -5.888 71 HA LEU 13 HA LEU 13 -1.395 -4.004 -5.615 72 HB2 LEU 13 HB2 LEU 13 -0.358 -5.524 -7.318 73 HB3 LEU 13 HB1 LEU 13 -0.164 -6.717 -6.049 74 HG LEU 13 HG LEU 13 -2.643 -6.694 -5.718 75 HD11 LEU 13 HD11 LEU 13 -4.033 -5.737 -7.496 76 HD12 LEU 13 HD12 LEU 13 -2.597 -5.013 -8.221 77 HD13 LEU 13 HD13 LEU 13 -3.134 -4.498 -6.621 78 HD21 LEU 13 HD21 LEU 13 -1.588 -8.435 -7.038 79 HD22 LEU 13 HD22 LEU 13 -1.643 -7.412 -8.472 80 HD23 LEU 13 HD23 LEU 13 -3.142 -7.991 -7.745 81 H LYS 14 HN LYS 14 0.881 -5.713 -3.578 82 HA LYS 14 HA LYS 14 -0.996 -7.010 -1.913 83 HB2 LYS 14 HB2 LYS 14 1.845 -6.571 -1.942 84 HB3 LYS 14 HB1 LYS 14 1.227 -6.273 -0.328 85 HG2 LYS 14 HG2 LYS 14 0.746 -8.784 -1.917 86 HG3 LYS 14 HG1 LYS 14 1.973 -8.593 -0.665 87 HD2 LYS 14 HD2 LYS 14 -0.978 -8.186 -0.202 88 HD3 LYS 14 HD1 LYS 14 -0.140 -9.708 0.094 89 HE2 LYS 14 HE2 LYS 14 0.551 -7.070 1.396 90 HE3 LYS 14 HE1 LYS 14 -0.428 -8.337 2.134 91 HZ1 LYS 14 HZ1 LYS 14 2.413 -8.587 1.308 92 HZ2 LYS 14 HZ2 LYS 14 1.479 -9.834 1.960 93 HZ3 LYS 14 HZ3 LYS 14 1.840 -8.474 2.895 94 H CYS 15 HN CYS 15 0.472 -3.794 -1.800 95 HA CYS 15 HA CYS 15 -0.734 -2.955 0.614 96 HB2 CYS 15 HB2 CYS 15 1.122 -1.721 -0.427 97 HB3 CYS 15 HB1 CYS 15 0.094 -1.313 -1.796 98 H HIS 16 HN HIS 16 -1.690 -2.639 -2.773 99 HA HIS 16 HA HIS 16 -4.153 -1.396 -2.497 100 HB2 HIS 16 HB2 HIS 16 -3.093 -1.809 -4.661 101 HB3 HIS 16 HB1 HIS 16 -3.284 -3.543 -4.454 102 HD1 HIS 16 HD1 HIS 16 -5.077 -0.492 -5.552 103 HD2 HIS 16 HD2 HIS 16 -5.920 -4.504 -4.876 104 HE1 HIS 16 HE1 HIS 16 -7.335 -0.890 -6.572 105 HE2 HIS 16 HE2 HIS 16 -7.687 -3.377 -6.393 106 H ASN 17 HN ASN 17 -3.458 -4.866 -2.576 107 HA ASN 17 HA ASN 17 -6.050 -5.793 -2.126 108 HB2 ASN 17 HB2 ASN 17 -3.336 -7.018 -1.723 109 HB3 ASN 17 HB1 ASN 17 -4.801 -7.904 -1.327 110 HD21 ASN 17 HD21 ASN 17 -2.780 -8.451 -3.337 111 HD22 ASN 17 HD22 ASN 17 -3.610 -8.500 -4.849 112 H HIS 18 HN HIS 18 -3.582 -4.787 0.184 113 HA HIS 18 HA HIS 18 -4.827 -5.789 2.503 114 HB2 HIS 18 HB2 HIS 18 -2.675 -5.043 2.931 115 HB3 HIS 18 HB1 HIS 18 -2.863 -3.603 1.938 116 HD1 HIS 18 HD1 HIS 18 -4.366 -4.887 5.219 117 HD2 HIS 18 HD2 HIS 18 -3.040 -1.382 3.421 118 HE1 HIS 18 HE1 HIS 18 -4.649 -3.091 6.954 119 HE2 HIS 18 HE2 HIS 18 -3.651 -1.023 5.912 120 H CYS 19 HN CYS 19 -5.098 -2.673 0.850 121 HA CYS 19 HA CYS 19 -6.965 -1.571 2.668 122 HB2 CYS 19 HB2 CYS 19 -6.520 -0.811 -0.221 123 HB3 CYS 19 HB1 CYS 19 -7.218 0.198 1.043 124 H LYS 20 HN LYS 20 -7.263 -3.724 -0.019 125 HA LYS 20 HA LYS 20 -9.987 -3.301 -0.633 126 HB2 LYS 20 HB2 LYS 20 -8.418 -5.865 -0.888 127 HB3 LYS 20 HB1 LYS 20 -9.914 -5.473 -1.720 128 HG2 LYS 20 HG2 LYS 20 -7.354 -3.958 -2.050 129 HG3 LYS 20 HG1 LYS 20 -7.865 -5.273 -3.106 130 HD2 LYS 20 HD2 LYS 20 -9.589 -2.865 -2.632 131 HD3 LYS 20 HD1 LYS 20 -8.299 -2.852 -3.835 132 HE2 LYS 20 HE2 LYS 20 -10.317 -3.410 -4.968 133 HE3 LYS 20 HE1 LYS 20 -9.346 -4.875 -4.859 134 HZ1 LYS 20 HZ1 LYS 20 -11.745 -5.183 -4.376 135 HZ2 LYS 20 HZ2 LYS 20 -11.564 -4.224 -2.996 136 HZ3 LYS 20 HZ3 LYS 20 -10.735 -5.692 -3.123 137 H SER 21 HN SER 21 -8.372 -4.883 1.942 138 HA SER 21 HA SER 21 -10.692 -6.445 2.737 139 HB2 SER 21 HB2 SER 21 -8.016 -6.158 4.121 140 HB3 SER 21 HB1 SER 21 -9.236 -7.396 4.419 141 HG SER 21 HG SER 21 -7.309 -7.276 2.491 142 H ILE 22 HN ILE 22 -9.888 -3.306 2.993 143 HA ILE 22 HA ILE 22 -10.970 -3.036 5.711 144 HB ILE 22 HB ILE 22 -9.602 -0.873 4.131 145 HG12 ILE 22 HG12 ILE 22 -8.408 -2.700 6.215 146 HG13 ILE 22 HG11 ILE 22 -8.029 -2.740 4.499 147 HG21 ILE 22 HG21 ILE 22 -9.230 -0.055 6.549 148 HG22 ILE 22 HG22 ILE 22 -10.543 -1.165 6.951 149 HG23 ILE 22 HG23 ILE 22 -10.813 0.151 5.808 150 HD11 ILE 22 HD11 ILE 22 -7.517 -0.441 6.359 151 HD12 ILE 22 HD12 ILE 22 -7.096 -0.510 4.648 152 HD13 ILE 22 HD13 ILE 22 -6.314 -1.599 5.793 153 H LYS 23 HN LYS 23 -12.720 -1.896 6.088 154 HA LYS 23 HA LYS 23 -15.003 -1.895 5.281 155 HB2 LYS 23 HB2 LYS 23 -15.249 0.741 5.139 156 HB3 LYS 23 HB1 LYS 23 -14.947 -0.108 6.650 157 HG2 LYS 23 HG2 LYS 23 -12.529 0.333 6.333 158 HG3 LYS 23 HG1 LYS 23 -12.930 1.309 4.920 159 HD2 LYS 23 HD2 LYS 23 -12.621 2.753 6.810 160 HD3 LYS 23 HD1 LYS 23 -14.334 2.737 6.386 161 HE2 LYS 23 HE2 LYS 23 -14.783 1.160 8.181 162 HE3 LYS 23 HE1 LYS 23 -13.067 1.097 8.580 163 HZ1 LYS 23 HZ1 LYS 23 -14.818 3.486 8.782 164 HZ2 LYS 23 HZ2 LYS 23 -13.167 3.457 9.131 165 HZ3 LYS 23 HZ3 LYS 23 -14.244 2.562 10.076 166 H GLY 24 HN GLY 24 -14.146 0.978 3.522 167 HA2 GLY 24 HA2 GLY 24 -15.084 -0.335 1.048 168 HA3 GLY 24 HA1 GLY 24 -15.661 1.251 1.540 169 H TYR 25 HN TYR 25 -12.361 0.280 2.012 170 HA TYR 25 HA TYR 25 -11.363 2.480 0.510 171 HB2 TYR 25 HB2 TYR 25 -9.965 0.027 1.589 172 HB3 TYR 25 HB1 TYR 25 -9.135 1.381 0.836 173 HD1 TYR 25 HD1 TYR 25 -11.743 2.870 2.446 174 HD2 TYR 25 HD2 TYR 25 -8.104 0.869 3.361 175 HE1 TYR 25 HE1 TYR 25 -11.662 4.027 4.608 176 HE2 TYR 25 HE2 TYR 25 -8.016 2.014 5.534 177 HH TYR 25 HH TYR 25 -8.903 4.077 6.566 178 H LYS 26 HN LYS 26 -10.757 2.647 -1.530 179 HA LYS 26 HA LYS 26 -11.688 0.656 -3.369 180 HB2 LYS 26 HB2 LYS 26 -12.075 2.928 -3.934 181 HB3 LYS 26 HB1 LYS 26 -10.396 3.361 -3.640 182 HG2 LYS 26 HG2 LYS 26 -9.702 2.172 -5.614 183 HG3 LYS 26 HG1 LYS 26 -11.348 1.593 -5.883 184 HD2 LYS 26 HD2 LYS 26 -12.132 3.730 -6.436 185 HD3 LYS 26 HD1 LYS 26 -10.731 4.525 -5.716 186 HE2 LYS 26 HE2 LYS 26 -10.713 4.533 -8.194 187 HE3 LYS 26 HE1 LYS 26 -9.311 3.743 -7.473 188 HZ1 LYS 26 HZ1 LYS 26 -10.310 1.604 -7.925 189 HZ2 LYS 26 HZ2 LYS 26 -10.219 2.496 -9.354 190 HZ3 LYS 26 HZ3 LYS 26 -11.698 2.337 -8.553 191 H GLY 27 HN GLY 27 -8.542 1.961 -2.420 192 HA2 GLY 27 HA2 GLY 27 -7.248 -0.481 -3.179 193 HA3 GLY 27 HA1 GLY 27 -6.888 0.839 -4.282 194 H GLY 28 HN GLY 28 -4.702 0.157 -3.369 195 HA2 GLY 28 HA2 GLY 28 -4.021 2.072 -1.282 196 HA3 GLY 28 HA1 GLY 28 -3.645 0.385 -0.959 197 H TYR 29 HN TYR 29 -1.811 2.594 -1.194 198 HA TYR 29 HA TYR 29 -0.028 1.468 -3.187 199 HB2 TYR 29 HB2 TYR 29 0.399 3.576 -4.315 200 HB3 TYR 29 HB1 TYR 29 -1.313 3.192 -4.431 201 HD1 TYR 29 HD1 TYR 29 1.059 5.679 -3.588 202 HD2 TYR 29 HD2 TYR 29 -2.855 4.310 -2.645 203 HE1 TYR 29 HE1 TYR 29 0.511 7.888 -2.665 204 HE2 TYR 29 HE2 TYR 29 -3.415 6.515 -1.727 205 HH TYR 29 HH TYR 29 -1.712 9.241 -2.317 206 H CYS 30 HN CYS 30 2.153 2.113 -2.887 207 HA CYS 30 HA CYS 30 2.834 2.759 -0.176 208 HB2 CYS 30 HB2 CYS 30 4.779 2.763 -2.478 209 HB3 CYS 30 HB1 CYS 30 5.061 2.344 -0.795 210 H ALA 31 HN ALA 31 2.692 4.783 0.559 211 HA ALA 31 HA ALA 31 2.284 6.929 -1.286 212 HB1 ALA 31 HB1 ALA 31 1.111 6.675 0.900 213 HB2 ALA 31 HB2 ALA 31 1.797 8.270 0.606 214 HB3 ALA 31 HB3 ALA 31 2.615 7.148 1.689 215 H LYS 32 HN LYS 32 4.850 6.169 1.047 216 HA LYS 32 HA LYS 32 6.554 8.098 -0.344 217 HB2 LYS 32 HB2 LYS 32 6.028 7.970 2.615 218 HB3 LYS 32 HB1 LYS 32 7.489 8.699 1.967 219 HG2 LYS 32 HG2 LYS 32 4.684 9.571 1.304 220 HG3 LYS 32 HG1 LYS 32 5.742 10.346 2.483 221 HD2 LYS 32 HD2 LYS 32 7.401 10.651 0.594 222 HD3 LYS 32 HD1 LYS 32 6.108 10.158 -0.501 223 HE2 LYS 32 HE2 LYS 32 6.017 12.504 1.396 224 HE3 LYS 32 HE1 LYS 32 6.293 12.598 -0.340 225 HZ1 LYS 32 HZ1 LYS 32 3.826 11.616 0.989 226 HZ2 LYS 32 HZ2 LYS 32 4.085 11.639 -0.681 227 HZ3 LYS 32 HZ3 LYS 32 4.006 13.088 0.179 228 H GLY 33 HN GLY 33 7.368 6.072 -1.285 229 HA2 GLY 33 HA2 GLY 33 9.568 5.299 -1.526 230 HA3 GLY 33 HA1 GLY 33 9.854 5.645 0.167 231 H GLY 34 HN GLY 34 7.130 3.733 -0.914 232 HA2 GLY 34 HA2 GLY 34 6.722 1.462 -0.794 233 HA3 GLY 34 HA1 GLY 34 8.451 1.215 -0.649 234 H PHE 35 HN PHE 35 7.351 3.368 1.689 235 HA PHE 35 HA PHE 35 7.583 1.281 3.713 236 HB2 PHE 35 HB2 PHE 35 7.730 4.282 3.777 237 HB3 PHE 35 HB1 PHE 35 7.515 3.365 5.262 238 HD1 PHE 35 HD1 PHE 35 9.828 4.405 2.687 239 HD2 PHE 35 HD2 PHE 35 9.270 1.752 5.967 240 HE1 PHE 35 HE1 PHE 35 12.255 4.034 2.796 241 HE2 PHE 35 HE2 PHE 35 11.698 1.376 6.080 242 HZ PHE 35 HZ PHE 35 13.194 2.520 4.494 243 H VAL 36 HN VAL 36 5.467 4.105 3.221 244 HA VAL 36 HA VAL 36 3.524 2.919 5.008 245 HB VAL 36 HB VAL 36 3.825 5.176 5.474 246 HG11 VAL 36 HG11 VAL 36 3.747 6.961 3.770 247 HG12 VAL 36 HG12 VAL 36 3.639 5.715 2.526 248 HG13 VAL 36 HG13 VAL 36 5.078 5.825 3.542 249 HG21 VAL 36 HG21 VAL 36 1.715 6.300 4.897 250 HG22 VAL 36 HG22 VAL 36 1.460 4.633 5.411 251 HG23 VAL 36 HG23 VAL 36 1.391 5.047 3.699 252 H CYS 37 HN CYS 37 1.727 1.972 4.455 253 HA CYS 37 HA CYS 37 0.996 1.751 1.638 254 HB2 CYS 37 HB2 CYS 37 1.315 -0.333 2.937 255 HB3 CYS 37 HB1 CYS 37 0.063 0.181 4.059 256 H LYS 38 HN LYS 38 -0.098 3.616 1.253 257 HA LYS 38 HA LYS 38 -2.187 4.484 3.087 258 HB2 LYS 38 HB2 LYS 38 -0.471 6.040 2.035 259 HB3 LYS 38 HB1 LYS 38 -1.324 5.820 0.524 260 HG2 LYS 38 HG2 LYS 38 -2.856 6.698 2.908 261 HG3 LYS 38 HG1 LYS 38 -1.798 7.858 2.103 262 HD2 LYS 38 HD2 LYS 38 -2.912 7.376 -0.011 263 HD3 LYS 38 HD1 LYS 38 -4.000 6.261 0.811 264 HE2 LYS 38 HE2 LYS 38 -3.753 9.209 1.403 265 HE3 LYS 38 HE1 LYS 38 -5.022 8.470 0.423 266 HZ1 LYS 38 HZ1 LYS 38 -4.506 7.896 3.292 267 HZ2 LYS 38 HZ2 LYS 38 -5.722 7.198 2.345 268 HZ3 LYS 38 HZ3 LYS 38 -5.762 8.855 2.684 269 H CYS 39 HN CYS 39 -4.329 4.647 2.527 270 HA CYS 39 HA CYS 39 -5.131 3.095 0.152 271 HB2 CYS 39 HB2 CYS 39 -6.648 3.253 2.756 272 HB3 CYS 39 HB1 CYS 39 -6.972 2.189 1.397 273 H TYR 40 HN TYR 40 -7.146 3.701 -0.839 274 HA TYR 40 HA TYR 40 -8.139 6.343 -0.050 275 HB2 TYR 40 HB2 TYR 40 -8.508 6.725 -2.586 276 HB3 TYR 40 HB1 TYR 40 -6.898 6.963 -1.920 277 HD1 TYR 40 HD1 TYR 40 -5.139 5.243 -2.319 278 HD2 TYR 40 HD2 TYR 40 -8.918 5.063 -4.280 279 HE1 TYR 40 HE1 TYR 40 -4.199 3.710 -3.993 280 HE2 TYR 40 HE2 TYR 40 -7.981 3.525 -5.943 281 HH TYR 40 HH TYR 40 -5.803 2.933 -6.883 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 4.982 -2.254 7.385 2 H2 GLY 1 HT2 GLY 1 3.492 -1.694 6.813 3 H3 GLY 1 HT3 GLY 1 4.798 -1.850 5.755 4 HA2 GLY 1 HA1 GLY 1 4.799 -4.237 6.033 5 HA3 GLY 1 HA2 GLY 1 3.453 -4.086 7.153 6 H PHE 2 HN PHE 2 2.207 -5.439 5.845 7 HA PHE 2 HA PHE 2 0.501 -5.833 4.421 8 HB2 PHE 2 HB2 PHE 2 0.556 -2.871 3.827 9 HB3 PHE 2 HB1 PHE 2 -0.786 -3.979 3.574 10 HD1 PHE 2 HD1 PHE 2 0.196 -1.428 5.562 11 HD2 PHE 2 HD2 PHE 2 -1.196 -5.431 5.891 12 HE1 PHE 2 HE1 PHE 2 -0.639 -0.946 7.821 13 HE2 PHE 2 HE2 PHE 2 -2.040 -4.955 8.148 14 HZ PHE 2 HZ PHE 2 -1.761 -2.711 9.122 15 H GLY 3 HN GLY 3 3.133 -6.150 3.481 16 HA2 GLY 3 HA2 GLY 3 3.971 -6.989 1.508 17 HA3 GLY 3 HA1 GLY 3 2.482 -6.510 0.720 18 H CYS 4 HN CYS 4 4.647 -4.344 2.468 19 HA CYS 4 HA CYS 4 5.711 -3.430 -0.089 20 HB2 CYS 4 HB2 CYS 4 3.739 -1.987 0.680 21 HB3 CYS 4 HB1 CYS 4 4.809 -1.419 1.959 22 H ASN 5 HN ASN 5 5.971 -2.299 3.297 23 HA ASN 5 HA ASN 5 7.745 -2.050 4.685 24 HB2 ASN 5 HB2 ASN 5 8.384 -4.651 3.302 25 HB3 ASN 5 HB1 ASN 5 9.259 -4.057 4.698 26 HD21 ASN 5 HD21 ASN 5 7.258 -6.300 4.021 27 HD22 ASN 5 HD22 ASN 5 6.184 -6.282 5.374 28 H GLY 6 HN GLY 6 8.108 -0.470 2.456 29 HA2 GLY 6 HA2 GLY 6 9.937 0.905 1.916 30 HA3 GLY 6 HA1 GLY 6 11.023 -0.389 2.404 31 HA PRO 7 HA PRO 7 10.372 0.261 -2.399 32 HB2 PRO 7 HB2 PRO 7 13.221 0.435 -2.490 33 HB3 PRO 7 HB1 PRO 7 12.046 1.687 -2.900 34 HG2 PRO 7 HG2 PRO 7 13.614 1.297 -0.438 35 HG3 PRO 7 HG1 PRO 7 12.865 2.771 -1.074 36 HD2 PRO 7 HD2 PRO 7 11.913 1.468 1.089 37 HD3 PRO 7 HD1 PRO 7 10.855 2.342 -0.038 38 H TRP 8 HN TRP 8 12.557 -1.532 -0.323 39 HA TRP 8 HA TRP 8 13.667 -3.236 -2.259 40 HB2 TRP 8 HB2 TRP 8 13.341 -3.989 0.631 41 HB3 TRP 8 HB1 TRP 8 14.672 -4.345 -0.459 42 HD1 TRP 8 HD1 TRP 8 13.189 -1.433 1.553 43 HE1 TRP 8 HE1 TRP 8 15.062 0.275 2.027 44 HE3 TRP 8 HE3 TRP 8 16.920 -3.543 -1.226 45 HZ2 TRP 8 HZ2 TRP 8 17.766 0.666 1.309 46 HZ3 TRP 8 HZ3 TRP 8 19.118 -2.440 -1.283 47 HH2 TRP 8 HH2 TRP 8 19.530 -0.379 -0.042 48 H GLN 9 HN GLN 9 10.794 -3.516 -0.222 49 HA GLN 9 HA GLN 9 10.308 -6.185 -1.383 50 HB2 GLN 9 HB2 GLN 9 8.618 -5.613 0.853 51 HB3 GLN 9 HB1 GLN 9 9.755 -6.938 0.644 52 HG2 GLN 9 HG2 GLN 9 11.521 -5.129 1.328 53 HG3 GLN 9 HG1 GLN 9 10.120 -4.296 1.980 54 HE21 GLN 9 HE21 GLN 9 12.405 -5.468 3.356 55 HE22 GLN 9 HE22 GLN 9 11.750 -6.611 4.476 56 H GLU 10 HN GLU 10 9.309 -3.031 -1.357 57 HA GLU 10 HA GLU 10 6.700 -2.695 -1.563 58 HB2 GLU 10 HB2 GLU 10 8.674 -1.157 -2.177 59 HB3 GLU 10 HB1 GLU 10 8.464 -1.765 -3.812 60 HG2 GLU 10 HG2 GLU 10 6.043 -0.767 -2.490 61 HG3 GLU 10 HG1 GLU 10 7.278 0.438 -2.853 62 H ASP 11 HN ASP 11 5.276 -4.222 -2.215 63 HA ASP 11 HA ASP 11 5.651 -5.598 -4.765 64 HB2 ASP 11 HB2 ASP 11 3.716 -6.004 -2.488 65 HB3 ASP 11 HB1 ASP 11 3.590 -6.869 -4.006 66 H ASP 12 HN ASP 12 4.106 -2.878 -3.600 67 HA ASP 12 HA ASP 12 2.569 -1.425 -4.367 68 HB2 ASP 12 HB2 ASP 12 3.773 -1.786 -6.473 69 HB3 ASP 12 HB1 ASP 12 2.666 -3.080 -6.877 70 H LEU 13 HN LEU 13 1.476 -4.345 -6.049 71 HA LEU 13 HA LEU 13 -1.246 -3.788 -5.732 72 HB2 LEU 13 HB2 LEU 13 -0.274 -5.312 -7.423 73 HB3 LEU 13 HB1 LEU 13 0.032 -6.481 -6.155 74 HG LEU 13 HG LEU 13 -2.439 -6.539 -5.712 75 HD11 LEU 13 HD11 LEU 13 -2.534 -4.958 -8.272 76 HD12 LEU 13 HD12 LEU 13 -3.068 -4.422 -6.680 77 HD13 LEU 13 HD13 LEU 13 -3.917 -5.731 -7.499 78 HD21 LEU 13 HD21 LEU 13 -2.938 -7.956 -7.643 79 HD22 LEU 13 HD22 LEU 13 -1.336 -8.284 -6.987 80 HD23 LEU 13 HD23 LEU 13 -1.506 -7.335 -8.463 81 H LYS 14 HN LYS 14 0.946 -5.673 -3.735 82 HA LYS 14 HA LYS 14 -0.903 -6.965 -2.085 83 HB2 LYS 14 HB2 LYS 14 1.868 -5.918 -1.497 84 HB3 LYS 14 HB1 LYS 14 0.953 -6.934 -0.391 85 HG2 LYS 14 HG2 LYS 14 1.271 -7.907 -3.164 86 HG3 LYS 14 HG1 LYS 14 2.701 -7.919 -2.129 87 HD2 LYS 14 HD2 LYS 14 0.101 -9.048 -1.169 88 HD3 LYS 14 HD1 LYS 14 1.181 -10.002 -2.184 89 HE2 LYS 14 HE2 LYS 14 1.947 -8.699 0.428 90 HE3 LYS 14 HE1 LYS 14 1.529 -10.398 0.231 91 HZ1 LYS 14 HZ1 LYS 14 3.915 -10.099 0.249 92 HZ2 LYS 14 HZ2 LYS 14 3.835 -9.012 -1.048 93 HZ3 LYS 14 HZ3 LYS 14 3.417 -10.637 -1.275 94 H CYS 15 HN CYS 15 0.393 -3.689 -1.961 95 HA CYS 15 HA CYS 15 -0.796 -3.010 0.542 96 HB2 CYS 15 HB2 CYS 15 1.128 -1.769 -0.376 97 HB3 CYS 15 HB1 CYS 15 0.129 -1.212 -1.715 98 H HIS 16 HN HIS 16 -1.685 -2.561 -2.845 99 HA HIS 16 HA HIS 16 -4.125 -1.252 -2.520 100 HB2 HIS 16 HB2 HIS 16 -3.114 -1.530 -4.705 101 HB3 HIS 16 HB1 HIS 16 -3.233 -3.278 -4.587 102 HD1 HIS 16 HD1 HIS 16 -5.218 -0.230 -5.438 103 HD2 HIS 16 HD2 HIS 16 -5.762 -4.346 -5.162 104 HE1 HIS 16 HE1 HIS 16 -7.453 -0.693 -6.482 105 HE2 HIS 16 HE2 HIS 16 -7.624 -3.203 -6.547 106 H ASN 17 HN ASN 17 -3.405 -4.698 -2.658 107 HA ASN 17 HA ASN 17 -5.977 -5.704 -2.254 108 HB2 ASN 17 HB2 ASN 17 -3.242 -6.837 -1.691 109 HB3 ASN 17 HB1 ASN 17 -4.709 -7.763 -1.417 110 HD21 ASN 17 HD21 ASN 17 -2.503 -8.217 -3.263 111 HD22 ASN 17 HD22 ASN 17 -3.210 -8.295 -4.835 112 H HIS 18 HN HIS 18 -3.576 -4.580 0.062 113 HA HIS 18 HA HIS 18 -4.740 -5.627 2.388 114 HB2 HIS 18 HB2 HIS 18 -2.619 -4.776 2.759 115 HB3 HIS 18 HB1 HIS 18 -2.903 -3.343 1.783 116 HD1 HIS 18 HD1 HIS 18 -4.279 -4.719 5.077 117 HD2 HIS 18 HD2 HIS 18 -3.116 -1.145 3.302 118 HE1 HIS 18 HE1 HIS 18 -4.605 -2.956 6.838 119 HE2 HIS 18 HE2 HIS 18 -3.822 -0.809 5.777 120 H CYS 19 HN CYS 19 -5.250 -2.539 0.729 121 HA CYS 19 HA CYS 19 -7.112 -1.598 2.673 122 HB2 CYS 19 HB2 CYS 19 -6.682 -0.580 -0.137 123 HB3 CYS 19 HB1 CYS 19 -7.396 0.299 1.212 124 H LYS 20 HN LYS 20 -7.374 -3.718 0.012 125 HA LYS 20 HA LYS 20 -10.090 -3.246 -0.671 126 HB2 LYS 20 HB2 LYS 20 -8.566 -5.839 -0.932 127 HB3 LYS 20 HB1 LYS 20 -10.020 -5.383 -1.806 128 HG2 LYS 20 HG2 LYS 20 -7.396 -3.956 -2.016 129 HG3 LYS 20 HG1 LYS 20 -7.935 -5.206 -3.133 130 HD2 LYS 20 HD2 LYS 20 -9.636 -2.799 -2.627 131 HD3 LYS 20 HD1 LYS 20 -8.246 -2.685 -3.708 132 HE2 LYS 20 HE2 LYS 20 -10.258 -3.136 -4.978 133 HE3 LYS 20 HE1 LYS 20 -9.162 -4.510 -5.063 134 HZ1 LYS 20 HZ1 LYS 20 -10.509 -5.668 -3.457 135 HZ2 LYS 20 HZ2 LYS 20 -11.477 -5.167 -4.744 136 HZ3 LYS 20 HZ3 LYS 20 -11.526 -4.330 -3.279 137 H SER 21 HN SER 21 -8.478 -4.917 1.869 138 HA SER 21 HA SER 21 -10.803 -6.471 2.635 139 HB2 SER 21 HB2 SER 21 -8.482 -7.396 2.771 140 HB3 SER 21 HB1 SER 21 -8.123 -6.209 4.022 141 HG SER 21 HG SER 21 -10.398 -7.642 4.531 142 H ILE 22 HN ILE 22 -9.845 -3.345 3.019 143 HA ILE 22 HA ILE 22 -10.888 -3.085 5.744 144 HB ILE 22 HB ILE 22 -9.659 -0.918 4.035 145 HG12 ILE 22 HG12 ILE 22 -8.351 -2.611 6.170 146 HG13 ILE 22 HG11 ILE 22 -8.034 -2.740 4.444 147 HG21 ILE 22 HG21 ILE 22 -9.302 0.174 6.247 148 HG22 ILE 22 HG22 ILE 22 -10.274 -1.103 6.976 149 HG23 ILE 22 HG23 ILE 22 -10.997 -0.008 5.797 150 HD11 ILE 22 HD11 ILE 22 -7.475 -0.356 6.187 151 HD12 ILE 22 HD12 ILE 22 -7.165 -0.456 4.454 152 HD13 ILE 22 HD13 ILE 22 -6.286 -1.502 5.568 153 H LYS 23 HN LYS 23 -12.604 -1.810 6.224 154 HA LYS 23 HA LYS 23 -14.963 -1.992 5.489 155 HB2 LYS 23 HB2 LYS 23 -15.283 0.655 5.443 156 HB3 LYS 23 HB1 LYS 23 -14.944 -0.250 6.913 157 HG2 LYS 23 HG2 LYS 23 -12.589 0.300 6.730 158 HG3 LYS 23 HG1 LYS 23 -12.884 1.144 5.212 159 HD2 LYS 23 HD2 LYS 23 -12.672 2.702 7.067 160 HD3 LYS 23 HD1 LYS 23 -14.294 2.756 6.378 161 HE2 LYS 23 HE2 LYS 23 -14.422 2.806 8.794 162 HE3 LYS 23 HE1 LYS 23 -15.089 1.296 8.185 163 HZ1 LYS 23 HZ1 LYS 23 -13.708 0.890 10.097 164 HZ2 LYS 23 HZ2 LYS 23 -12.390 1.663 9.372 165 HZ3 LYS 23 HZ3 LYS 23 -12.979 0.213 8.733 166 H GLY 24 HN GLY 24 -14.235 0.980 3.808 167 HA2 GLY 24 HA2 GLY 24 -15.296 -0.265 1.351 168 HA3 GLY 24 HA1 GLY 24 -15.864 1.296 1.927 169 H TYR 25 HN TYR 25 -12.534 0.375 2.192 170 HA TYR 25 HA TYR 25 -11.617 2.639 0.756 171 HB2 TYR 25 HB2 TYR 25 -10.197 0.112 1.610 172 HB3 TYR 25 HB1 TYR 25 -9.381 1.471 0.851 173 HD1 TYR 25 HD1 TYR 25 -11.920 2.811 2.794 174 HD2 TYR 25 HD2 TYR 25 -8.100 0.990 3.175 175 HE1 TYR 25 HE1 TYR 25 -11.644 3.868 4.994 176 HE2 TYR 25 HE2 TYR 25 -7.814 2.036 5.375 177 HH TYR 25 HH TYR 25 -10.362 3.489 7.071 178 H LYS 26 HN LYS 26 -10.718 2.826 -1.268 179 HA LYS 26 HA LYS 26 -11.885 1.066 -3.241 180 HB2 LYS 26 HB2 LYS 26 -12.004 3.413 -3.684 181 HB3 LYS 26 HB1 LYS 26 -10.279 3.613 -3.418 182 HG2 LYS 26 HG2 LYS 26 -9.828 2.267 -5.419 183 HG3 LYS 26 HG1 LYS 26 -11.566 2.130 -5.698 184 HD2 LYS 26 HD2 LYS 26 -11.766 4.498 -6.017 185 HD3 LYS 26 HD1 LYS 26 -10.091 4.751 -5.533 186 HE2 LYS 26 HE2 LYS 26 -10.333 4.869 -7.953 187 HE3 LYS 26 HE1 LYS 26 -9.326 3.508 -7.472 188 HZ1 LYS 26 HZ1 LYS 26 -11.214 2.039 -7.798 189 HZ2 LYS 26 HZ2 LYS 26 -10.896 2.902 -9.214 190 HZ3 LYS 26 HZ3 LYS 26 -12.195 3.346 -8.230 191 H GLY 27 HN GLY 27 -8.669 1.989 -2.146 192 HA2 GLY 27 HA2 GLY 27 -7.517 -0.474 -2.951 193 HA3 GLY 27 HA1 GLY 27 -7.133 0.789 -4.110 194 H GLY 28 HN GLY 28 -4.919 0.155 -3.291 195 HA2 GLY 28 HA2 GLY 28 -4.155 2.095 -1.273 196 HA3 GLY 28 HA1 GLY 28 -3.779 0.416 -0.911 197 H TYR 29 HN TYR 29 -1.816 2.351 -1.110 198 HA TYR 29 HA TYR 29 -0.105 1.155 -3.055 199 HB2 TYR 29 HB2 TYR 29 0.368 3.084 -4.425 200 HB3 TYR 29 HB1 TYR 29 -1.355 2.761 -4.494 201 HD1 TYR 29 HD1 TYR 29 0.978 5.292 -4.306 202 HD2 TYR 29 HD2 TYR 29 -2.700 4.107 -2.539 203 HE1 TYR 29 HE1 TYR 29 0.530 7.629 -3.694 204 HE2 TYR 29 HE2 TYR 29 -3.163 6.441 -1.923 205 HH TYR 29 HH TYR 29 -1.587 9.034 -3.228 206 H CYS 30 HN CYS 30 2.063 1.728 -2.758 207 HA CYS 30 HA CYS 30 2.675 2.679 -0.122 208 HB2 CYS 30 HB2 CYS 30 4.578 2.064 -2.393 209 HB3 CYS 30 HB1 CYS 30 4.964 2.155 -0.680 210 H ALA 31 HN ALA 31 2.589 4.784 0.318 211 HA ALA 31 HA ALA 31 2.395 6.687 -1.799 212 HB1 ALA 31 HB1 ALA 31 2.585 7.164 1.168 213 HB2 ALA 31 HB2 ALA 31 1.095 6.871 0.269 214 HB3 ALA 31 HB3 ALA 31 2.043 8.324 -0.045 215 H LYS 32 HN LYS 32 4.875 5.905 0.573 216 HA LYS 32 HA LYS 32 6.670 7.759 -0.833 217 HB2 LYS 32 HB2 LYS 32 6.641 7.089 2.111 218 HB3 LYS 32 HB1 LYS 32 7.868 8.063 1.317 219 HG2 LYS 32 HG2 LYS 32 4.941 8.738 1.539 220 HG3 LYS 32 HG1 LYS 32 6.253 9.461 2.469 221 HD2 LYS 32 HD2 LYS 32 7.246 10.289 0.367 222 HD3 LYS 32 HD1 LYS 32 5.874 9.624 -0.517 223 HE2 LYS 32 HE2 LYS 32 4.371 11.070 0.797 224 HE3 LYS 32 HE1 LYS 32 5.778 11.773 1.593 225 HZ1 LYS 32 HZ1 LYS 32 5.016 13.157 -0.229 226 HZ2 LYS 32 HZ2 LYS 32 5.205 11.877 -1.318 227 HZ3 LYS 32 HZ3 LYS 32 6.558 12.547 -0.557 228 H GLY 33 HN GLY 33 6.946 5.679 -2.119 229 HA2 GLY 33 HA2 GLY 33 8.743 4.421 -2.862 230 HA3 GLY 33 HA1 GLY 33 9.560 4.741 -1.342 231 H GLY 34 HN GLY 34 7.546 3.745 0.372 232 HA2 GLY 34 HA2 GLY 34 6.480 1.291 -0.033 233 HA3 GLY 34 HA1 GLY 34 8.181 0.936 0.200 234 H PHE 35 HN PHE 35 7.990 3.523 1.963 235 HA PHE 35 HA PHE 35 8.066 2.172 4.419 236 HB2 PHE 35 HB2 PHE 35 7.735 5.105 3.752 237 HB3 PHE 35 HB1 PHE 35 8.003 4.504 5.381 238 HD1 PHE 35 HD1 PHE 35 9.493 4.570 1.983 239 HD2 PHE 35 HD2 PHE 35 10.174 4.144 6.161 240 HE1 PHE 35 HE1 PHE 35 11.922 4.642 1.594 241 HE2 PHE 35 HE2 PHE 35 12.601 4.216 5.779 242 HZ PHE 35 HZ PHE 35 13.475 4.434 3.482 243 H VAL 36 HN VAL 36 5.479 3.901 2.779 244 HA VAL 36 HA VAL 36 3.681 3.164 4.979 245 HB VAL 36 HB VAL 36 3.816 5.467 5.215 246 HG11 VAL 36 HG11 VAL 36 5.132 5.978 3.269 247 HG12 VAL 36 HG12 VAL 36 3.745 7.070 3.346 248 HG13 VAL 36 HG13 VAL 36 3.738 5.712 2.219 249 HG21 VAL 36 HG21 VAL 36 1.492 5.046 3.344 250 HG22 VAL 36 HG22 VAL 36 1.679 6.389 4.472 251 HG23 VAL 36 HG23 VAL 36 1.491 4.746 5.081 252 H CYS 37 HN CYS 37 2.055 1.953 4.459 253 HA CYS 37 HA CYS 37 1.268 1.614 1.666 254 HB2 CYS 37 HB2 CYS 37 1.705 -0.441 2.929 255 HB3 CYS 37 HB1 CYS 37 0.540 0.043 4.155 256 H LYS 38 HN LYS 38 0.126 3.463 1.316 257 HA LYS 38 HA LYS 38 -1.946 4.299 3.167 258 HB2 LYS 38 HB2 LYS 38 -0.466 5.970 2.098 259 HB3 LYS 38 HB1 LYS 38 -1.078 5.487 0.522 260 HG2 LYS 38 HG2 LYS 38 -3.386 6.115 1.445 261 HG3 LYS 38 HG1 LYS 38 -2.493 6.957 2.712 262 HD2 LYS 38 HD2 LYS 38 -1.402 8.347 1.100 263 HD3 LYS 38 HD1 LYS 38 -2.064 7.386 -0.223 264 HE2 LYS 38 HE2 LYS 38 -4.285 8.129 0.239 265 HE3 LYS 38 HE1 LYS 38 -3.761 8.928 1.725 266 HZ1 LYS 38 HZ1 LYS 38 -4.043 10.538 -0.017 267 HZ2 LYS 38 HZ2 LYS 38 -3.005 9.683 -1.044 268 HZ3 LYS 38 HZ3 LYS 38 -2.394 10.418 0.355 269 H CYS 39 HN CYS 39 -4.099 4.841 2.299 270 HA CYS 39 HA CYS 39 -4.963 2.982 0.195 271 HB2 CYS 39 HB2 CYS 39 -6.505 3.651 2.707 272 HB3 CYS 39 HB1 CYS 39 -7.021 2.558 1.430 273 H TYR 40 HN TYR 40 -6.900 3.670 -0.935 274 HA TYR 40 HA TYR 40 -7.606 6.486 -0.603 275 HB2 TYR 40 HB2 TYR 40 -7.529 6.756 -3.109 276 HB3 TYR 40 HB1 TYR 40 -5.957 6.607 -2.329 277 HD1 TYR 40 HD1 TYR 40 -4.491 4.780 -2.873 278 HD2 TYR 40 HD2 TYR 40 -8.469 4.839 -4.373 279 HE1 TYR 40 HE1 TYR 40 -3.937 2.945 -4.404 280 HE2 TYR 40 HE2 TYR 40 -7.922 3.001 -5.909 281 HH TYR 40 HH TYR 40 -5.163 1.125 -5.632 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 4.665 -1.106 5.219 2 H2 GLY 1 HT2 GLY 1 5.339 -1.345 6.752 3 H3 GLY 1 HT3 GLY 1 3.681 -1.070 6.593 4 HA2 GLY 1 HA1 GLY 1 5.134 -3.442 5.574 5 HA3 GLY 1 HA2 GLY 1 4.133 -3.403 7.020 6 H PHE 2 HN PHE 2 2.928 -5.117 5.980 7 HA PHE 2 HA PHE 2 1.029 -5.900 5.036 8 HB2 PHE 2 HB2 PHE 2 0.410 -3.016 4.365 9 HB3 PHE 2 HB1 PHE 2 -0.714 -4.359 4.256 10 HD1 PHE 2 HD1 PHE 2 -0.579 -1.644 5.959 11 HD2 PHE 2 HD2 PHE 2 -0.068 -5.786 6.763 12 HE1 PHE 2 HE1 PHE 2 -1.226 -1.265 8.296 13 HE2 PHE 2 HE2 PHE 2 -0.716 -5.417 9.101 14 HZ PHE 2 HZ PHE 2 -1.416 -3.139 9.837 15 H GLY 3 HN GLY 3 3.569 -5.087 3.458 16 HA2 GLY 3 HA2 GLY 3 3.297 -6.396 1.167 17 HA3 GLY 3 HA1 GLY 3 2.471 -4.896 0.772 18 H CYS 4 HN CYS 4 3.747 -2.875 1.139 19 HA CYS 4 HA CYS 4 6.351 -3.185 0.004 20 HB2 CYS 4 HB2 CYS 4 5.114 -0.636 1.050 21 HB3 CYS 4 HB1 CYS 4 6.305 -0.828 -0.221 22 H ASN 5 HN ASN 5 7.579 -4.258 1.544 23 HA ASN 5 HA ASN 5 7.875 -3.124 4.203 24 HB2 ASN 5 HB2 ASN 5 9.522 -5.379 3.061 25 HB3 ASN 5 HB1 ASN 5 9.151 -5.046 4.746 26 HD21 ASN 5 HD21 ASN 5 7.075 -5.525 5.522 27 HD22 ASN 5 HD22 ASN 5 6.059 -6.674 4.723 28 H GLY 6 HN GLY 6 8.655 -1.491 1.983 29 HA2 GLY 6 HA2 GLY 6 10.700 -0.035 2.447 30 HA3 GLY 6 HA1 GLY 6 11.595 -1.515 2.121 31 HA PRO 7 HA PRO 7 10.602 1.319 -1.807 32 HB2 PRO 7 HB2 PRO 7 13.509 1.179 -1.948 33 HB3 PRO 7 HB1 PRO 7 12.461 2.596 -2.027 34 HG2 PRO 7 HG2 PRO 7 14.005 1.613 0.193 35 HG3 PRO 7 HG1 PRO 7 13.044 3.094 0.090 36 HD2 PRO 7 HD2 PRO 7 12.454 0.912 1.682 37 HD3 PRO 7 HD1 PRO 7 11.287 2.146 1.171 38 H TRP 8 HN TRP 8 13.100 -1.052 -1.053 39 HA TRP 8 HA TRP 8 13.533 -2.095 -3.600 40 HB2 TRP 8 HB2 TRP 8 13.771 -3.992 -1.350 41 HB3 TRP 8 HB1 TRP 8 14.981 -3.480 -2.522 42 HD1 TRP 8 HD1 TRP 8 13.390 -2.333 0.793 43 HE1 TRP 8 HE1 TRP 8 15.043 -0.766 1.997 44 HE3 TRP 8 HE3 TRP 8 16.968 -1.999 -2.841 45 HZ2 TRP 8 HZ2 TRP 8 17.535 0.446 1.467 46 HZ3 TRP 8 HZ3 TRP 8 18.952 -0.610 -2.416 47 HH2 TRP 8 HH2 TRP 8 19.228 0.586 -0.307 48 H GLN 9 HN GLN 9 11.166 -2.862 -1.162 49 HA GLN 9 HA GLN 9 10.237 -5.282 -2.406 50 HB2 GLN 9 HB2 GLN 9 8.944 -3.603 -0.250 51 HB3 GLN 9 HB1 GLN 9 8.585 -5.283 -0.634 52 HG2 GLN 9 HG2 GLN 9 11.357 -4.513 0.128 53 HG3 GLN 9 HG1 GLN 9 10.129 -4.675 1.375 54 HE21 GLN 9 HE21 GLN 9 11.192 -6.455 2.286 55 HE22 GLN 9 HE22 GLN 9 11.182 -8.010 1.527 56 H GLU 10 HN GLU 10 8.501 -2.323 -1.547 57 HA GLU 10 HA GLU 10 6.696 -1.283 -2.469 58 HB2 GLU 10 HB2 GLU 10 8.869 -0.521 -3.627 59 HB3 GLU 10 HB1 GLU 10 8.278 -1.425 -5.014 60 HG2 GLU 10 HG2 GLU 10 6.433 0.502 -3.752 61 HG3 GLU 10 HG1 GLU 10 7.786 1.157 -4.665 62 H ASP 11 HN ASP 11 5.031 -2.793 -2.403 63 HA ASP 11 HA ASP 11 4.518 -4.165 -4.956 64 HB2 ASP 11 HB2 ASP 11 5.137 -5.669 -2.971 65 HB3 ASP 11 HB1 ASP 11 3.569 -5.223 -2.302 66 H ASP 12 HN ASP 12 3.099 -2.895 -5.859 67 HA ASP 12 HA ASP 12 1.256 -1.187 -4.740 68 HB2 ASP 12 HB2 ASP 12 1.885 -1.157 -7.104 69 HB3 ASP 12 HB1 ASP 12 1.075 -2.693 -7.357 70 H LEU 13 HN LEU 13 0.775 -4.569 -5.712 71 HA LEU 13 HA LEU 13 -2.031 -4.440 -5.297 72 HB2 LEU 13 HB2 LEU 13 -0.852 -5.987 -6.884 73 HB3 LEU 13 HB1 LEU 13 -0.386 -6.944 -5.489 74 HG LEU 13 HG LEU 13 -2.786 -7.272 -4.937 75 HD11 LEU 13 HD11 LEU 13 -3.222 -5.818 -7.532 76 HD12 LEU 13 HD12 LEU 13 -3.728 -5.304 -5.923 77 HD13 LEU 13 HD13 LEU 13 -4.457 -6.728 -6.664 78 HD21 LEU 13 HD21 LEU 13 -1.572 -8.950 -6.236 79 HD22 LEU 13 HD22 LEU 13 -1.997 -8.110 -7.727 80 HD23 LEU 13 HD23 LEU 13 -3.257 -8.850 -6.742 81 H LYS 14 HN LYS 14 0.667 -5.589 -3.309 82 HA LYS 14 HA LYS 14 -0.926 -6.839 -1.335 83 HB2 LYS 14 HB2 LYS 14 1.826 -5.629 -1.313 84 HB3 LYS 14 HB1 LYS 14 1.099 -6.214 0.173 85 HG2 LYS 14 HG2 LYS 14 1.385 -7.920 -2.277 86 HG3 LYS 14 HG1 LYS 14 2.622 -7.816 -1.026 87 HD2 LYS 14 HD2 LYS 14 -0.242 -8.578 -0.482 88 HD3 LYS 14 HD1 LYS 14 1.033 -9.750 -0.804 89 HE2 LYS 14 HE2 LYS 14 1.068 -7.728 1.437 90 HE3 LYS 14 HE1 LYS 14 0.604 -9.420 1.610 91 HZ1 LYS 14 HZ1 LYS 14 2.917 -8.992 2.251 92 HZ2 LYS 14 HZ2 LYS 14 3.267 -8.492 0.675 93 HZ3 LYS 14 HZ3 LYS 14 2.801 -10.091 0.971 94 H CYS 15 HN CYS 15 0.280 -3.489 -1.585 95 HA CYS 15 HA CYS 15 -1.001 -2.604 0.776 96 HB2 CYS 15 HB2 CYS 15 0.007 -1.191 -1.684 97 HB3 CYS 15 HB1 CYS 15 -0.763 -0.333 -0.364 98 H HIS 16 HN HIS 16 -1.909 -2.720 -2.614 99 HA HIS 16 HA HIS 16 -4.394 -1.498 -2.535 100 HB2 HIS 16 HB2 HIS 16 -3.226 -2.248 -4.584 101 HB3 HIS 16 HB1 HIS 16 -3.523 -3.918 -4.132 102 HD1 HIS 16 HD1 HIS 16 -5.187 -0.918 -5.583 103 HD2 HIS 16 HD2 HIS 16 -6.077 -4.855 -4.636 104 HE1 HIS 16 HE1 HIS 16 -7.446 -1.353 -6.571 105 HE2 HIS 16 HE2 HIS 16 -7.791 -3.831 -6.286 106 H ASN 17 HN ASN 17 -3.647 -4.931 -2.204 107 HA ASN 17 HA ASN 17 -6.180 -5.877 -1.572 108 HB2 ASN 17 HB2 ASN 17 -3.393 -6.877 -1.080 109 HB3 ASN 17 HB1 ASN 17 -4.766 -7.770 -0.453 110 HD21 ASN 17 HD21 ASN 17 -2.807 -8.501 -2.473 111 HD22 ASN 17 HD22 ASN 17 -3.702 -8.854 -3.904 112 H HIS 18 HN HIS 18 -3.621 -4.675 0.566 113 HA HIS 18 HA HIS 18 -4.775 -5.280 3.018 114 HB2 HIS 18 HB2 HIS 18 -2.635 -4.439 3.242 115 HB3 HIS 18 HB1 HIS 18 -2.888 -3.176 2.048 116 HD1 HIS 18 HD1 HIS 18 -4.107 -3.960 5.583 117 HD2 HIS 18 HD2 HIS 18 -3.143 -0.739 3.139 118 HE1 HIS 18 HE1 HIS 18 -4.438 -1.908 7.002 119 HE2 HIS 18 HE2 HIS 18 -3.969 0.031 5.467 120 H CYS 19 HN CYS 19 -5.302 -2.507 0.899 121 HA CYS 19 HA CYS 19 -7.138 -1.235 2.689 122 HB2 CYS 19 HB2 CYS 19 -6.695 -0.695 -0.249 123 HB3 CYS 19 HB1 CYS 19 -7.419 0.396 0.929 124 H LYS 20 HN LYS 20 -7.383 -3.601 0.175 125 HA LYS 20 HA LYS 20 -10.130 -3.313 -0.432 126 HB2 LYS 20 HB2 LYS 20 -8.497 -5.854 -0.503 127 HB3 LYS 20 HB1 LYS 20 -9.994 -5.545 -1.373 128 HG2 LYS 20 HG2 LYS 20 -7.474 -3.977 -1.789 129 HG3 LYS 20 HG1 LYS 20 -7.904 -5.399 -2.739 130 HD2 LYS 20 HD2 LYS 20 -9.689 -2.996 -2.484 131 HD3 LYS 20 HD1 LYS 20 -8.451 -3.140 -3.735 132 HE2 LYS 20 HE2 LYS 20 -9.493 -5.066 -4.655 133 HE3 LYS 20 HE1 LYS 20 -10.616 -5.189 -3.300 134 HZ1 LYS 20 HZ1 LYS 20 -10.540 -2.982 -5.284 135 HZ2 LYS 20 HZ2 LYS 20 -11.628 -3.114 -3.999 136 HZ3 LYS 20 HZ3 LYS 20 -11.667 -4.241 -5.257 137 H SER 21 HN SER 21 -8.352 -4.926 2.083 138 HA SER 21 HA SER 21 -10.625 -6.334 3.140 139 HB2 SER 21 HB2 SER 21 -8.243 -7.145 3.292 140 HB3 SER 21 HB1 SER 21 -7.938 -5.852 4.448 141 HG SER 21 HG SER 21 -10.124 -7.181 5.213 142 H ILE 22 HN ILE 22 -9.701 -3.150 3.192 143 HA ILE 22 HA ILE 22 -10.800 -2.629 5.858 144 HB ILE 22 HB ILE 22 -9.585 -0.628 3.936 145 HG12 ILE 22 HG12 ILE 22 -8.296 -2.013 6.295 146 HG13 ILE 22 HG11 ILE 22 -7.914 -2.331 4.609 147 HG21 ILE 22 HG21 ILE 22 -10.925 0.520 5.482 148 HG22 ILE 22 HG22 ILE 22 -9.284 0.652 6.112 149 HG23 ILE 22 HG23 ILE 22 -10.412 -0.506 6.820 150 HD11 ILE 22 HD11 ILE 22 -6.245 -0.910 5.613 151 HD12 ILE 22 HD12 ILE 22 -7.485 0.255 6.079 152 HD13 ILE 22 HD13 ILE 22 -7.133 -0.022 4.375 153 H LYS 23 HN LYS 23 -12.546 -1.241 6.144 154 HA LYS 23 HA LYS 23 -14.887 -1.647 5.384 155 HB2 LYS 23 HB2 LYS 23 -15.307 0.959 5.034 156 HB3 LYS 23 HB1 LYS 23 -14.983 0.235 6.606 157 HG2 LYS 23 HG2 LYS 23 -12.558 0.781 6.206 158 HG3 LYS 23 HG1 LYS 23 -13.084 1.737 4.823 159 HD2 LYS 23 HD2 LYS 23 -13.914 2.138 7.694 160 HD3 LYS 23 HD1 LYS 23 -12.770 3.129 6.792 161 HE2 LYS 23 HE2 LYS 23 -14.539 3.786 5.252 162 HE3 LYS 23 HE1 LYS 23 -15.688 2.772 6.121 163 HZ1 LYS 23 HZ1 LYS 23 -15.855 5.106 6.752 164 HZ2 LYS 23 HZ2 LYS 23 -14.247 5.102 7.267 165 HZ3 LYS 23 HZ3 LYS 23 -15.392 4.152 8.068 166 H GLY 24 HN GLY 24 -14.146 1.123 3.352 167 HA2 GLY 24 HA2 GLY 24 -15.152 -0.434 1.054 168 HA3 GLY 24 HA1 GLY 24 -15.817 1.142 1.456 169 H TYR 25 HN TYR 25 -12.451 0.530 1.862 170 HA TYR 25 HA TYR 25 -11.652 2.652 0.198 171 HB2 TYR 25 HB2 TYR 25 -10.101 0.279 1.240 172 HB3 TYR 25 HB1 TYR 25 -9.363 1.633 0.393 173 HD1 TYR 25 HD1 TYR 25 -11.937 3.058 2.145 174 HD2 TYR 25 HD2 TYR 25 -8.134 1.282 2.842 175 HE1 TYR 25 HE1 TYR 25 -11.769 4.271 4.272 176 HE2 TYR 25 HE2 TYR 25 -7.960 2.492 4.977 177 HH TYR 25 HH TYR 25 -10.575 4.006 6.449 178 H LYS 26 HN LYS 26 -10.458 2.597 -1.785 179 HA LYS 26 HA LYS 26 -11.612 0.676 -3.643 180 HB2 LYS 26 HB2 LYS 26 -11.788 2.970 -4.312 181 HB3 LYS 26 HB1 LYS 26 -10.085 3.257 -3.995 182 HG2 LYS 26 HG2 LYS 26 -9.476 1.837 -5.865 183 HG3 LYS 26 HG1 LYS 26 -11.179 1.487 -6.164 184 HD2 LYS 26 HD2 LYS 26 -11.625 3.686 -6.849 185 HD3 LYS 26 HD1 LYS 26 -10.121 4.294 -6.155 186 HE2 LYS 26 HE2 LYS 26 -10.062 4.131 -8.625 187 HE3 LYS 26 HE1 LYS 26 -8.826 3.161 -7.829 188 HZ1 LYS 26 HZ1 LYS 26 -11.406 2.116 -8.862 189 HZ2 LYS 26 HZ2 LYS 26 -10.162 1.200 -8.172 190 HZ3 LYS 26 HZ3 LYS 26 -9.917 1.979 -9.652 191 H GLY 27 HN GLY 27 -8.395 1.999 -2.871 192 HA2 GLY 27 HA2 GLY 27 -7.206 -0.612 -3.255 193 HA3 GLY 27 HA1 GLY 27 -6.787 0.552 -4.505 194 H GLY 28 HN GLY 28 -4.610 -0.063 -3.531 195 HA2 GLY 28 HA2 GLY 28 -3.874 2.075 -1.694 196 HA3 GLY 28 HA1 GLY 28 -3.638 0.446 -1.080 197 H TYR 29 HN TYR 29 -1.530 2.204 -1.309 198 HA TYR 29 HA TYR 29 0.255 0.759 -3.028 199 HB2 TYR 29 HB2 TYR 29 0.923 2.570 -4.477 200 HB3 TYR 29 HB1 TYR 29 -0.815 2.359 -4.629 201 HD1 TYR 29 HD1 TYR 29 1.734 4.732 -4.281 202 HD2 TYR 29 HD2 TYR 29 -2.225 3.892 -2.976 203 HE1 TYR 29 HE1 TYR 29 1.406 7.115 -3.774 204 HE2 TYR 29 HE2 TYR 29 -2.571 6.270 -2.466 205 HH TYR 29 HH TYR 29 -1.207 8.252 -1.924 206 H CYS 30 HN CYS 30 2.533 1.613 -2.808 207 HA CYS 30 HA CYS 30 2.992 2.216 -0.038 208 HB2 CYS 30 HB2 CYS 30 5.302 2.410 -1.849 209 HB3 CYS 30 HB1 CYS 30 5.096 1.463 -0.380 210 H ALA 31 HN ALA 31 2.509 4.248 0.562 211 HA ALA 31 HA ALA 31 2.659 6.514 -1.116 212 HB1 ALA 31 HB1 ALA 31 2.136 7.811 0.861 213 HB2 ALA 31 HB2 ALA 31 2.541 6.437 1.897 214 HB3 ALA 31 HB3 ALA 31 1.152 6.349 0.809 215 H LYS 32 HN LYS 32 4.680 5.615 1.674 216 HA LYS 32 HA LYS 32 6.494 7.799 1.163 217 HB2 LYS 32 HB2 LYS 32 6.560 5.584 3.202 218 HB3 LYS 32 HB1 LYS 32 7.726 6.895 3.122 219 HG2 LYS 32 HG2 LYS 32 5.516 8.357 3.208 220 HG3 LYS 32 HG1 LYS 32 4.908 6.914 4.020 221 HD2 LYS 32 HD2 LYS 32 7.377 8.454 4.781 222 HD3 LYS 32 HD1 LYS 32 5.818 8.552 5.603 223 HE2 LYS 32 HE2 LYS 32 5.978 6.150 6.132 224 HE3 LYS 32 HE1 LYS 32 7.561 6.099 5.361 225 HZ1 LYS 32 HZ1 LYS 32 8.356 7.695 7.004 226 HZ2 LYS 32 HZ2 LYS 32 7.767 6.296 7.747 227 HZ3 LYS 32 HZ3 LYS 32 6.838 7.706 7.749 228 H GLY 33 HN GLY 33 6.626 6.437 -1.092 229 HA2 GLY 33 HA2 GLY 33 8.308 5.752 -2.530 230 HA3 GLY 33 HA1 GLY 33 9.370 5.552 -1.142 231 H GLY 34 HN GLY 34 8.139 3.790 0.404 232 HA2 GLY 34 HA2 GLY 34 6.927 1.592 -0.877 233 HA3 GLY 34 HA1 GLY 34 8.654 1.312 -0.773 234 H PHE 35 HN PHE 35 7.065 3.158 1.726 235 HA PHE 35 HA PHE 35 7.735 0.966 3.552 236 HB2 PHE 35 HB2 PHE 35 7.373 3.917 4.047 237 HB3 PHE 35 HB1 PHE 35 7.565 2.741 5.340 238 HD1 PHE 35 HD1 PHE 35 9.260 5.113 3.563 239 HD2 PHE 35 HD2 PHE 35 9.655 1.052 4.776 240 HE1 PHE 35 HE1 PHE 35 11.705 5.293 3.365 241 HE2 PHE 35 HE2 PHE 35 12.101 1.226 4.580 242 HZ PHE 35 HZ PHE 35 13.129 3.350 3.875 243 H VAL 36 HN VAL 36 5.132 3.384 3.116 244 HA VAL 36 HA VAL 36 3.474 1.766 4.907 245 HB VAL 36 HB VAL 36 2.198 3.634 5.401 246 HG11 VAL 36 HG11 VAL 36 4.489 3.948 6.204 247 HG12 VAL 36 HG12 VAL 36 3.686 5.482 5.864 248 HG13 VAL 36 HG13 VAL 36 4.869 4.838 4.728 249 HG21 VAL 36 HG21 VAL 36 3.153 4.887 2.840 250 HG22 VAL 36 HG22 VAL 36 2.126 5.684 4.030 251 HG23 VAL 36 HG23 VAL 36 1.539 4.256 3.177 252 H CYS 37 HN CYS 37 1.377 1.142 4.340 253 HA CYS 37 HA CYS 37 0.801 1.104 1.475 254 HB2 CYS 37 HB2 CYS 37 -0.240 -0.497 3.806 255 HB3 CYS 37 HB1 CYS 37 -1.074 -0.479 2.258 256 H LYS 38 HN LYS 38 0.126 3.237 1.255 257 HA LYS 38 HA LYS 38 -2.002 4.310 2.859 258 HB2 LYS 38 HB2 LYS 38 -0.331 5.785 1.827 259 HB3 LYS 38 HB1 LYS 38 -0.839 5.258 0.227 260 HG2 LYS 38 HG2 LYS 38 -3.174 6.131 1.005 261 HG3 LYS 38 HG1 LYS 38 -2.217 7.056 2.165 262 HD2 LYS 38 HD2 LYS 38 -0.986 8.101 0.396 263 HD3 LYS 38 HD1 LYS 38 -1.737 7.044 -0.798 264 HE2 LYS 38 HE2 LYS 38 -2.769 9.226 -0.879 265 HE3 LYS 38 HE1 LYS 38 -3.927 8.034 -0.284 266 HZ1 LYS 38 HZ1 LYS 38 -3.993 10.090 0.992 267 HZ2 LYS 38 HZ2 LYS 38 -2.363 9.912 1.409 268 HZ3 LYS 38 HZ3 LYS 38 -3.507 8.796 1.964 269 H CYS 39 HN CYS 39 -4.067 4.991 1.842 270 HA CYS 39 HA CYS 39 -4.984 3.016 -0.126 271 HB2 CYS 39 HB2 CYS 39 -6.471 3.826 2.379 272 HB3 CYS 39 HB1 CYS 39 -7.038 2.697 1.158 273 H TYR 40 HN TYR 40 -6.893 3.638 -1.265 274 HA TYR 40 HA TYR 40 -7.797 6.376 -0.961 275 HB2 TYR 40 HB2 TYR 40 -7.652 6.702 -3.459 276 HB3 TYR 40 HB1 TYR 40 -6.111 6.709 -2.613 277 HD1 TYR 40 HD1 TYR 40 -4.424 5.141 -3.147 278 HD2 TYR 40 HD2 TYR 40 -8.318 4.673 -4.810 279 HE1 TYR 40 HE1 TYR 40 -3.552 3.449 -4.702 280 HE2 TYR 40 HE2 TYR 40 -7.450 2.978 -6.361 281 HH TYR 40 HH TYR 40 -4.298 1.628 -6.067 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 3.319 0.062 6.319 2 H2 GLY 1 HT2 GLY 1 4.182 -0.168 4.885 3 H3 GLY 1 HT3 GLY 1 4.975 -0.269 6.374 4 HA2 GLY 1 HA1 GLY 1 4.623 -2.472 5.510 5 HA3 GLY 1 HA2 GLY 1 3.671 -2.218 6.967 6 H PHE 2 HN PHE 2 2.360 -3.977 6.222 7 HA PHE 2 HA PHE 2 0.435 -4.837 5.406 8 HB2 PHE 2 HB2 PHE 2 -0.162 -2.051 4.401 9 HB3 PHE 2 HB1 PHE 2 -1.311 -3.370 4.553 10 HD1 PHE 2 HD1 PHE 2 0.094 -0.550 6.138 11 HD2 PHE 2 HD2 PHE 2 -1.641 -4.353 6.901 12 HE1 PHE 2 HE1 PHE 2 -0.456 0.166 8.429 13 HE2 PHE 2 HE2 PHE 2 -2.200 -3.650 9.187 14 HZ PHE 2 HZ PHE 2 -1.605 -1.385 9.959 15 H GLY 3 HN GLY 3 2.919 -4.225 3.693 16 HA2 GLY 3 HA2 GLY 3 2.516 -5.697 1.482 17 HA3 GLY 3 HA1 GLY 3 1.857 -4.136 1.009 18 H CYS 4 HN CYS 4 3.318 -2.248 1.253 19 HA CYS 4 HA CYS 4 5.789 -2.740 0.002 20 HB2 CYS 4 HB2 CYS 4 5.150 -0.184 1.440 21 HB3 CYS 4 HB1 CYS 4 6.007 -0.429 -0.067 22 H ASN 5 HN ASN 5 7.112 -4.038 1.242 23 HA ASN 5 HA ASN 5 7.812 -3.163 3.944 24 HB2 ASN 5 HB2 ASN 5 8.238 -5.698 2.381 25 HB3 ASN 5 HB1 ASN 5 9.210 -5.374 3.804 26 HD21 ASN 5 HD21 ASN 5 6.039 -6.058 2.595 27 HD22 ASN 5 HD22 ASN 5 5.335 -6.463 4.119 28 H GLY 6 HN GLY 6 8.699 -1.311 2.335 29 HA2 GLY 6 HA2 GLY 6 10.758 -0.182 2.160 30 HA3 GLY 6 HA1 GLY 6 11.589 -1.728 2.298 31 HA PRO 7 HA PRO 7 11.112 0.078 -2.242 32 HB2 PRO 7 HB2 PRO 7 13.966 -0.071 -2.314 33 HB3 PRO 7 HB1 PRO 7 12.957 1.372 -2.437 34 HG2 PRO 7 HG2 PRO 7 14.413 0.267 -0.126 35 HG3 PRO 7 HG1 PRO 7 13.886 1.928 -0.433 36 HD2 PRO 7 HD2 PRO 7 12.712 0.362 1.416 37 HD3 PRO 7 HD1 PRO 7 11.800 1.565 0.481 38 H TRP 8 HN TRP 8 13.327 -2.214 -0.702 39 HA TRP 8 HA TRP 8 14.039 -3.764 -2.892 40 HB2 TRP 8 HB2 TRP 8 13.589 -5.101 -0.261 41 HB3 TRP 8 HB1 TRP 8 14.953 -5.227 -1.361 42 HD1 TRP 8 HD1 TRP 8 13.492 -2.773 1.225 43 HE1 TRP 8 HE1 TRP 8 15.441 -1.427 2.249 44 HE3 TRP 8 HE3 TRP 8 17.306 -4.545 -1.671 45 HZ2 TRP 8 HZ2 TRP 8 18.224 -1.163 1.872 46 HZ3 TRP 8 HZ3 TRP 8 19.582 -3.697 -1.279 47 HH2 TRP 8 HH2 TRP 8 20.030 -2.038 0.457 48 H GLN 9 HN GLN 9 11.173 -3.744 -0.954 49 HA GLN 9 HA GLN 9 10.144 -6.189 -2.204 50 HB2 GLN 9 HB2 GLN 9 8.943 -4.516 0.011 51 HB3 GLN 9 HB1 GLN 9 8.458 -6.134 -0.475 52 HG2 GLN 9 HG2 GLN 9 11.262 -5.950 0.259 53 HG3 GLN 9 HG1 GLN 9 10.179 -5.498 1.564 54 HE21 GLN 9 HE21 GLN 9 8.048 -7.282 0.605 55 HE22 GLN 9 HE22 GLN 9 8.552 -8.877 1.037 56 H GLU 10 HN GLU 10 8.925 -3.018 -1.243 57 HA GLU 10 HA GLU 10 7.243 -1.704 -2.044 58 HB2 GLU 10 HB2 GLU 10 9.402 -1.594 -3.653 59 HB3 GLU 10 HB1 GLU 10 8.187 -2.095 -4.823 60 HG2 GLU 10 HG2 GLU 10 6.796 -0.173 -4.111 61 HG3 GLU 10 HG1 GLU 10 8.119 0.362 -3.085 62 H ASP 11 HN ASP 11 6.090 -3.999 -1.580 63 HA ASP 11 HA ASP 11 4.944 -5.310 -3.826 64 HB2 ASP 11 HB2 ASP 11 4.106 -5.315 -0.917 65 HB3 ASP 11 HB1 ASP 11 3.519 -6.426 -2.146 66 H ASP 12 HN ASP 12 3.990 -3.758 -5.095 67 HA ASP 12 HA ASP 12 2.356 -1.666 -4.204 68 HB2 ASP 12 HB2 ASP 12 3.435 -1.566 -6.358 69 HB3 ASP 12 HB1 ASP 12 2.563 -2.990 -6.910 70 H LEU 13 HN LEU 13 1.376 -4.690 -5.846 71 HA LEU 13 HA LEU 13 -1.381 -4.023 -5.602 72 HB2 LEU 13 HB2 LEU 13 -0.506 -5.374 -7.450 73 HB3 LEU 13 HB1 LEU 13 -0.086 -6.643 -6.317 74 HG LEU 13 HG LEU 13 -2.551 -6.780 -5.731 75 HD11 LEU 13 HD11 LEU 13 -2.818 -5.098 -8.216 76 HD12 LEU 13 HD12 LEU 13 -3.199 -4.587 -6.571 77 HD13 LEU 13 HD13 LEU 13 -4.135 -5.872 -7.334 78 HD21 LEU 13 HD21 LEU 13 -1.468 -8.425 -7.166 79 HD22 LEU 13 HD22 LEU 13 -1.741 -7.396 -8.570 80 HD23 LEU 13 HD23 LEU 13 -3.113 -8.100 -7.714 81 H LYS 14 HN LYS 14 0.875 -5.953 -3.737 82 HA LYS 14 HA LYS 14 -1.026 -7.341 -2.162 83 HB2 LYS 14 HB2 LYS 14 1.715 -7.341 -2.339 84 HB3 LYS 14 HB1 LYS 14 1.465 -6.545 -0.793 85 HG2 LYS 14 HG2 LYS 14 0.469 -9.273 -1.597 86 HG3 LYS 14 HG1 LYS 14 1.773 -8.915 -0.468 87 HD2 LYS 14 HD2 LYS 14 -1.087 -8.049 -0.069 88 HD3 LYS 14 HD1 LYS 14 -0.408 -9.533 0.597 89 HE2 LYS 14 HE2 LYS 14 1.170 -8.278 1.912 90 HE3 LYS 14 HE1 LYS 14 0.669 -6.767 1.152 91 HZ1 LYS 14 HZ1 LYS 14 -1.524 -7.050 2.127 92 HZ2 LYS 14 HZ2 LYS 14 -0.334 -7.033 3.331 93 HZ3 LYS 14 HZ3 LYS 14 -1.041 -8.494 2.860 94 H CYS 15 HN CYS 15 0.621 -4.246 -1.779 95 HA CYS 15 HA CYS 15 -0.544 -3.471 0.654 96 HB2 CYS 15 HB2 CYS 15 1.356 -2.298 -0.157 97 HB3 CYS 15 HB1 CYS 15 0.565 -1.907 -1.680 98 H HIS 16 HN HIS 16 -1.507 -2.922 -2.699 99 HA HIS 16 HA HIS 16 -3.868 -1.483 -2.270 100 HB2 HIS 16 HB2 HIS 16 -2.840 -1.701 -4.461 101 HB3 HIS 16 HB1 HIS 16 -3.076 -3.440 -4.445 102 HD1 HIS 16 HD1 HIS 16 -4.805 -0.238 -5.191 103 HD2 HIS 16 HD2 HIS 16 -5.674 -4.287 -5.053 104 HE1 HIS 16 HE1 HIS 16 -7.014 -0.486 -6.351 105 HE2 HIS 16 HE2 HIS 16 -7.364 -2.976 -6.504 106 H ASN 17 HN ASN 17 -3.365 -4.977 -2.615 107 HA ASN 17 HA ASN 17 -5.990 -5.832 -2.270 108 HB2 ASN 17 HB2 ASN 17 -3.331 -7.145 -1.818 109 HB3 ASN 17 HB1 ASN 17 -4.819 -7.991 -1.421 110 HD21 ASN 17 HD21 ASN 17 -2.824 -8.639 -3.410 111 HD22 ASN 17 HD22 ASN 17 -3.647 -8.664 -4.927 112 H HIS 18 HN HIS 18 -3.614 -4.902 0.146 113 HA HIS 18 HA HIS 18 -4.843 -6.038 2.390 114 HB2 HIS 18 HB2 HIS 18 -2.740 -5.209 2.886 115 HB3 HIS 18 HB1 HIS 18 -2.978 -3.732 1.962 116 HD1 HIS 18 HD1 HIS 18 -4.347 -5.259 5.190 117 HD2 HIS 18 HD2 HIS 18 -3.389 -1.586 3.505 118 HE1 HIS 18 HE1 HIS 18 -4.829 -3.550 6.975 119 HE2 HIS 18 HE2 HIS 18 -4.324 -1.329 5.904 120 H CYS 19 HN CYS 19 -5.282 -2.827 0.938 121 HA CYS 19 HA CYS 19 -7.316 -2.174 2.861 122 HB2 CYS 19 HB2 CYS 19 -6.054 -0.725 0.564 123 HB3 CYS 19 HB1 CYS 19 -7.502 -0.081 1.344 124 H LYS 20 HN LYS 20 -7.280 -3.807 -0.085 125 HA LYS 20 HA LYS 20 -9.861 -3.257 -1.050 126 HB2 LYS 20 HB2 LYS 20 -8.329 -5.858 -1.103 127 HB3 LYS 20 HB1 LYS 20 -9.775 -5.524 -2.037 128 HG2 LYS 20 HG2 LYS 20 -7.231 -3.956 -2.274 129 HG3 LYS 20 HG1 LYS 20 -7.636 -5.336 -3.293 130 HD2 LYS 20 HD2 LYS 20 -9.474 -2.980 -3.052 131 HD3 LYS 20 HD1 LYS 20 -8.107 -2.966 -4.165 132 HE2 LYS 20 HE2 LYS 20 -10.055 -3.663 -5.375 133 HE3 LYS 20 HE1 LYS 20 -8.987 -5.049 -5.188 134 HZ1 LYS 20 HZ1 LYS 20 -11.318 -4.533 -3.426 135 HZ2 LYS 20 HZ2 LYS 20 -10.385 -5.943 -3.514 136 HZ3 LYS 20 HZ3 LYS 20 -11.382 -5.512 -4.803 137 H SER 21 HN SER 21 -8.694 -5.225 1.585 138 HA SER 21 HA SER 21 -11.222 -6.559 1.980 139 HB2 SER 21 HB2 SER 21 -8.776 -6.564 3.758 140 HB3 SER 21 HB1 SER 21 -10.104 -7.725 3.775 141 HG SER 21 HG SER 21 -9.367 -7.898 1.375 142 H ILE 22 HN ILE 22 -9.863 -3.595 2.935 143 HA ILE 22 HA ILE 22 -11.255 -3.497 5.484 144 HB ILE 22 HB ILE 22 -9.708 -1.277 4.144 145 HG12 ILE 22 HG12 ILE 22 -8.755 -3.261 6.215 146 HG13 ILE 22 HG11 ILE 22 -8.264 -3.261 4.525 147 HG21 ILE 22 HG21 ILE 22 -11.033 -0.323 5.808 148 HG22 ILE 22 HG22 ILE 22 -9.472 -0.568 6.591 149 HG23 ILE 22 HG23 ILE 22 -10.802 -1.684 6.904 150 HD11 ILE 22 HD11 ILE 22 -6.573 -2.269 5.949 151 HD12 ILE 22 HD12 ILE 22 -7.741 -1.082 6.528 152 HD13 ILE 22 HD13 ILE 22 -7.239 -1.073 4.838 153 H LYS 23 HN LYS 23 -12.904 -2.149 5.972 154 HA LYS 23 HA LYS 23 -15.194 -2.124 5.059 155 HB2 LYS 23 HB2 LYS 23 -15.468 0.482 5.298 156 HB3 LYS 23 HB1 LYS 23 -15.144 -0.548 6.685 157 HG2 LYS 23 HG2 LYS 23 -12.716 -0.004 6.376 158 HG3 LYS 23 HG1 LYS 23 -13.204 1.200 5.187 159 HD2 LYS 23 HD2 LYS 23 -14.021 1.115 8.087 160 HD3 LYS 23 HD1 LYS 23 -12.847 2.214 7.366 161 HE2 LYS 23 HE2 LYS 23 -14.593 3.200 5.991 162 HE3 LYS 23 HE1 LYS 23 -15.774 2.070 6.649 163 HZ1 LYS 23 HZ1 LYS 23 -14.302 4.139 8.189 164 HZ2 LYS 23 HZ2 LYS 23 -15.408 3.039 8.841 165 HZ3 LYS 23 HZ3 LYS 23 -15.929 4.208 7.735 166 H GLY 24 HN GLY 24 -14.195 0.945 3.703 167 HA2 GLY 24 HA2 GLY 24 -15.344 0.005 1.150 168 HA3 GLY 24 HA1 GLY 24 -15.612 1.614 1.801 169 H TYR 25 HN TYR 25 -12.471 0.401 2.258 170 HA TYR 25 HA TYR 25 -11.260 2.453 0.753 171 HB2 TYR 25 HB2 TYR 25 -10.090 -0.170 1.704 172 HB3 TYR 25 HB1 TYR 25 -9.151 1.155 1.038 173 HD1 TYR 25 HD1 TYR 25 -11.665 2.680 2.900 174 HD2 TYR 25 HD2 TYR 25 -8.086 0.439 3.393 175 HE1 TYR 25 HE1 TYR 25 -11.398 3.608 5.161 176 HE2 TYR 25 HE2 TYR 25 -7.813 1.350 5.653 177 HH TYR 25 HH TYR 25 -8.511 3.313 6.936 178 H LYS 26 HN LYS 26 -10.686 2.615 -1.305 179 HA LYS 26 HA LYS 26 -11.603 0.597 -3.159 180 HB2 LYS 26 HB2 LYS 26 -12.072 2.829 -3.768 181 HB3 LYS 26 HB1 LYS 26 -10.434 3.355 -3.409 182 HG2 LYS 26 HG2 LYS 26 -9.598 2.173 -5.345 183 HG3 LYS 26 HG1 LYS 26 -11.215 1.553 -5.685 184 HD2 LYS 26 HD2 LYS 26 -12.039 3.677 -6.245 185 HD3 LYS 26 HD1 LYS 26 -10.666 4.497 -5.499 186 HE2 LYS 26 HE2 LYS 26 -10.551 4.531 -7.952 187 HE3 LYS 26 HE1 LYS 26 -9.194 3.676 -7.223 188 HZ1 LYS 26 HZ1 LYS 26 -10.267 1.582 -7.738 189 HZ2 LYS 26 HZ2 LYS 26 -10.091 2.501 -9.144 190 HZ3 LYS 26 HZ3 LYS 26 -11.599 2.388 -8.396 191 H GLY 27 HN GLY 27 -8.526 1.977 -2.117 192 HA2 GLY 27 HA2 GLY 27 -7.126 -0.406 -2.839 193 HA3 GLY 27 HA1 GLY 27 -6.787 0.907 -3.954 194 H GLY 28 HN GLY 28 -4.613 0.219 -2.898 195 HA2 GLY 28 HA2 GLY 28 -3.952 2.336 -1.028 196 HA3 GLY 28 HA1 GLY 28 -3.711 0.703 -0.417 197 H TYR 29 HN TYR 29 -1.755 2.887 -1.071 198 HA TYR 29 HA TYR 29 -0.062 1.319 -2.873 199 HB2 TYR 29 HB2 TYR 29 0.453 3.210 -4.286 200 HB3 TYR 29 HB1 TYR 29 -1.290 2.979 -4.264 201 HD1 TYR 29 HD1 TYR 29 1.280 5.345 -4.029 202 HD2 TYR 29 HD2 TYR 29 -2.558 4.441 -2.429 203 HE1 TYR 29 HE1 TYR 29 0.995 7.701 -3.393 204 HE2 TYR 29 HE2 TYR 29 -2.851 6.794 -1.782 205 HH TYR 29 HH TYR 29 -1.505 8.775 -1.327 206 H CYS 30 HN CYS 30 2.161 1.832 -2.775 207 HA CYS 30 HA CYS 30 3.171 2.576 -0.238 208 HB2 CYS 30 HB2 CYS 30 4.731 2.606 -2.826 209 HB3 CYS 30 HB1 CYS 30 5.335 2.286 -1.209 210 H ALA 31 HN ALA 31 3.010 4.641 0.530 211 HA ALA 31 HA ALA 31 2.623 6.792 -1.368 212 HB1 ALA 31 HB1 ALA 31 1.307 6.608 0.715 213 HB2 ALA 31 HB2 ALA 31 2.109 8.166 0.528 214 HB3 ALA 31 HB3 ALA 31 2.768 6.966 1.634 215 H LYS 32 HN LYS 32 5.091 5.907 1.007 216 HA LYS 32 HA LYS 32 6.791 8.042 -0.067 217 HB2 LYS 32 HB2 LYS 32 7.017 6.449 2.490 218 HB3 LYS 32 HB1 LYS 32 8.228 7.596 1.939 219 HG2 LYS 32 HG2 LYS 32 5.362 8.252 2.596 220 HG3 LYS 32 HG1 LYS 32 6.762 8.573 3.622 221 HD2 LYS 32 HD2 LYS 32 7.692 10.009 1.841 222 HD3 LYS 32 HD1 LYS 32 6.233 9.735 0.889 223 HE2 LYS 32 HE2 LYS 32 6.322 11.008 3.620 224 HE3 LYS 32 HE1 LYS 32 6.184 11.878 2.093 225 HZ1 LYS 32 HZ1 LYS 32 4.036 11.612 3.125 226 HZ2 LYS 32 HZ2 LYS 32 4.218 9.934 3.176 227 HZ3 LYS 32 HZ3 LYS 32 4.090 10.724 1.687 228 H GLY 33 HN GLY 33 6.593 6.190 -1.856 229 HA2 GLY 33 HA2 GLY 33 8.172 5.274 -3.296 230 HA3 GLY 33 HA1 GLY 33 9.295 5.157 -1.949 231 H GLY 34 HN GLY 34 8.274 3.646 -0.153 232 HA2 GLY 34 HA2 GLY 34 6.909 1.327 -1.129 233 HA3 GLY 34 HA1 GLY 34 8.638 1.066 -1.061 234 H PHE 35 HN PHE 35 6.818 3.039 1.209 235 HA PHE 35 HA PHE 35 7.391 1.003 3.265 236 HB2 PHE 35 HB2 PHE 35 7.640 4.007 3.415 237 HB3 PHE 35 HB1 PHE 35 7.549 3.005 4.855 238 HD1 PHE 35 HD1 PHE 35 9.648 4.287 2.246 239 HD2 PHE 35 HD2 PHE 35 9.333 1.272 5.230 240 HE1 PHE 35 HE1 PHE 35 12.079 3.926 2.135 241 HE2 PHE 35 HE2 PHE 35 11.764 0.906 5.125 242 HZ PHE 35 HZ PHE 35 13.138 2.237 3.577 243 H VAL 36 HN VAL 36 5.652 4.069 3.400 244 HA VAL 36 HA VAL 36 3.569 2.914 4.960 245 HB VAL 36 HB VAL 36 4.122 5.133 5.496 246 HG11 VAL 36 HG11 VAL 36 3.810 5.740 2.581 247 HG12 VAL 36 HG12 VAL 36 5.269 5.846 3.565 248 HG13 VAL 36 HG13 VAL 36 3.944 6.985 3.823 249 HG21 VAL 36 HG21 VAL 36 1.554 5.252 3.920 250 HG22 VAL 36 HG22 VAL 36 2.054 6.405 5.157 251 HG23 VAL 36 HG23 VAL 36 1.723 4.731 5.597 252 H CYS 37 HN CYS 37 1.587 2.303 4.397 253 HA CYS 37 HA CYS 37 0.903 2.372 1.559 254 HB2 CYS 37 HB2 CYS 37 0.309 0.470 3.774 255 HB3 CYS 37 HB1 CYS 37 -0.870 0.629 2.475 256 H LYS 38 HN LYS 38 -0.021 4.322 1.339 257 HA LYS 38 HA LYS 38 -2.193 5.137 3.070 258 HB2 LYS 38 HB2 LYS 38 -0.513 6.714 1.967 259 HB3 LYS 38 HB1 LYS 38 -1.363 6.423 0.471 260 HG2 LYS 38 HG2 LYS 38 -2.868 7.347 2.864 261 HG3 LYS 38 HG1 LYS 38 -1.912 8.497 1.931 262 HD2 LYS 38 HD2 LYS 38 -3.108 7.875 -0.076 263 HD3 LYS 38 HD1 LYS 38 -4.066 6.704 0.828 264 HE2 LYS 38 HE2 LYS 38 -5.371 8.707 0.528 265 HE3 LYS 38 HE1 LYS 38 -4.930 8.555 2.227 266 HZ1 LYS 38 HZ1 LYS 38 -3.120 10.135 1.829 267 HZ2 LYS 38 HZ2 LYS 38 -4.632 10.808 1.497 268 HZ3 LYS 38 HZ3 LYS 38 -3.630 10.320 0.227 269 H CYS 39 HN CYS 39 -4.335 5.204 2.463 270 HA CYS 39 HA CYS 39 -5.012 3.732 0.022 271 HB2 CYS 39 HB2 CYS 39 -6.092 3.167 2.784 272 HB3 CYS 39 HB1 CYS 39 -6.715 2.455 1.299 273 H TYR 40 HN TYR 40 -7.295 3.910 -0.580 274 HA TYR 40 HA TYR 40 -8.417 6.493 0.226 275 HB2 TYR 40 HB2 TYR 40 -8.936 6.762 -2.330 276 HB3 TYR 40 HB1 TYR 40 -7.363 7.225 -1.698 277 HD1 TYR 40 HD1 TYR 40 -5.415 5.564 -1.992 278 HD2 TYR 40 HD2 TYR 40 -9.131 5.168 -4.045 279 HE1 TYR 40 HE1 TYR 40 -4.355 4.082 -3.631 280 HE2 TYR 40 HE2 TYR 40 -8.060 3.689 -5.692 281 HH TYR 40 HH TYR 40 -5.924 3.128 -6.544 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 5.163 -0.731 6.346 2 H2 GLY 1 HT2 GLY 1 3.487 -0.936 6.391 3 H3 GLY 1 HT3 GLY 1 4.237 -0.418 4.967 4 HA2 GLY 1 HA1 GLY 1 5.398 -2.540 4.794 5 HA3 GLY 1 HA2 GLY 1 4.579 -3.069 6.254 6 H PHE 2 HN PHE 2 2.908 -4.322 5.917 7 HA PHE 2 HA PHE 2 1.101 -5.338 5.012 8 HB2 PHE 2 HB2 PHE 2 0.559 -2.610 3.829 9 HB3 PHE 2 HB1 PHE 2 -0.599 -3.925 3.951 10 HD1 PHE 2 HD1 PHE 2 0.298 -0.957 5.345 11 HD2 PHE 2 HD2 PHE 2 -0.658 -4.939 6.470 12 HE1 PHE 2 HE1 PHE 2 -0.320 -0.166 7.593 13 HE2 PHE 2 HE2 PHE 2 -1.294 -4.161 8.716 14 HZ PHE 2 HZ PHE 2 -1.236 -1.784 9.254 15 H GLY 3 HN GLY 3 3.594 -5.242 3.381 16 HA2 GLY 3 HA2 GLY 3 3.515 -6.733 1.363 17 HA3 GLY 3 HA1 GLY 3 2.366 -5.572 0.726 18 H CYS 4 HN CYS 4 3.440 -3.157 1.088 19 HA CYS 4 HA CYS 4 5.415 -2.983 -0.857 20 HB2 CYS 4 HB2 CYS 4 4.505 -1.059 1.277 21 HB3 CYS 4 HB1 CYS 4 5.722 -0.645 0.094 22 H ASN 5 HN ASN 5 5.709 -2.669 2.676 23 HA ASN 5 HA ASN 5 7.509 -2.754 4.080 24 HB2 ASN 5 HB2 ASN 5 7.849 -5.126 2.269 25 HB3 ASN 5 HB1 ASN 5 8.856 -4.886 3.686 26 HD21 ASN 5 HD21 ASN 5 6.812 -6.838 2.904 27 HD22 ASN 5 HD22 ASN 5 5.720 -6.925 4.241 28 H GLY 6 HN GLY 6 8.070 -0.793 2.321 29 HA2 GLY 6 HA2 GLY 6 9.924 0.523 1.921 30 HA3 GLY 6 HA1 GLY 6 10.941 -0.807 2.447 31 HA PRO 7 HA PRO 7 11.275 0.154 -2.244 32 HB2 PRO 7 HB2 PRO 7 14.068 -0.059 -1.910 33 HB3 PRO 7 HB1 PRO 7 13.148 1.417 -2.209 34 HG2 PRO 7 HG2 PRO 7 14.253 0.335 0.309 35 HG3 PRO 7 HG1 PRO 7 13.906 2.013 -0.139 36 HD2 PRO 7 HD2 PRO 7 12.390 0.630 1.610 37 HD3 PRO 7 HD1 PRO 7 11.712 1.872 0.537 38 H TRP 8 HN TRP 8 12.770 -2.085 -0.027 39 HA TRP 8 HA TRP 8 14.172 -3.831 -1.570 40 HB2 TRP 8 HB2 TRP 8 12.364 -4.952 0.537 41 HB3 TRP 8 HB1 TRP 8 14.043 -5.333 0.199 42 HD1 TRP 8 HD1 TRP 8 12.085 -2.260 1.533 43 HE1 TRP 8 HE1 TRP 8 13.454 -1.214 3.452 44 HE3 TRP 8 HE3 TRP 8 16.121 -5.386 1.434 45 HZ2 TRP 8 HZ2 TRP 8 15.915 -1.672 4.749 46 HZ3 TRP 8 HZ3 TRP 8 17.935 -5.017 3.050 47 HH2 TRP 8 HH2 TRP 8 17.836 -3.197 4.671 48 H GLN 9 HN GLN 9 10.709 -3.754 -1.009 49 HA GLN 9 HA GLN 9 10.373 -5.741 -3.155 50 HB2 GLN 9 HB2 GLN 9 8.051 -5.752 -1.550 51 HB3 GLN 9 HB1 GLN 9 9.235 -7.036 -1.737 52 HG2 GLN 9 HG2 GLN 9 10.552 -5.974 0.097 53 HG3 GLN 9 HG1 GLN 9 9.209 -4.865 0.349 54 HE21 GLN 9 HE21 GLN 9 7.231 -6.919 -0.306 55 HE22 GLN 9 HE22 GLN 9 7.171 -7.978 1.060 56 H GLU 10 HN GLU 10 8.552 -3.247 -1.364 57 HA GLU 10 HA GLU 10 7.108 -1.635 -2.036 58 HB2 GLU 10 HB2 GLU 10 9.376 -1.273 -3.458 59 HB3 GLU 10 HB1 GLU 10 8.233 -1.500 -4.774 60 HG2 GLU 10 HG2 GLU 10 6.830 0.290 -3.752 61 HG3 GLU 10 HG1 GLU 10 8.137 0.579 -2.609 62 H ASP 11 HN ASP 11 5.960 -4.021 -2.150 63 HA ASP 11 HA ASP 11 4.765 -4.466 -4.750 64 HB2 ASP 11 HB2 ASP 11 4.426 -5.853 -2.086 65 HB3 ASP 11 HB1 ASP 11 3.538 -6.299 -3.535 66 H ASP 12 HN ASP 12 3.553 -2.645 -5.118 67 HA ASP 12 HA ASP 12 1.876 -1.355 -3.310 68 HB2 ASP 12 HB2 ASP 12 1.812 -1.515 -6.319 69 HB3 ASP 12 HB1 ASP 12 0.731 -0.492 -5.394 70 H LEU 13 HN LEU 13 1.235 -4.045 -5.514 71 HA LEU 13 HA LEU 13 -1.568 -3.871 -5.408 72 HB2 LEU 13 HB2 LEU 13 -0.224 -5.103 -7.124 73 HB3 LEU 13 HB1 LEU 13 0.031 -6.362 -5.931 74 HG LEU 13 HG LEU 13 -2.459 -6.635 -5.785 75 HD11 LEU 13 HD11 LEU 13 -3.133 -4.467 -6.614 76 HD12 LEU 13 HD12 LEU 13 -3.802 -5.741 -7.634 77 HD13 LEU 13 HD13 LEU 13 -2.407 -4.813 -8.183 78 HD21 LEU 13 HD21 LEU 13 -1.070 -8.149 -7.102 79 HD22 LEU 13 HD22 LEU 13 -1.210 -7.074 -8.494 80 HD23 LEU 13 HD23 LEU 13 -2.639 -7.895 -7.864 81 H LYS 14 HN LYS 14 0.749 -5.513 -3.339 82 HA LYS 14 HA LYS 14 -1.086 -7.125 -1.903 83 HB2 LYS 14 HB2 LYS 14 1.394 -7.311 -1.774 84 HB3 LYS 14 HB1 LYS 14 1.417 -5.814 -0.853 85 HG2 LYS 14 HG2 LYS 14 1.183 -7.061 0.973 86 HG3 LYS 14 HG1 LYS 14 -0.467 -7.379 0.436 87 HD2 LYS 14 HD2 LYS 14 0.362 -9.504 0.716 88 HD3 LYS 14 HD1 LYS 14 0.643 -9.231 -0.999 89 HE2 LYS 14 HE2 LYS 14 2.939 -8.642 -0.592 90 HE3 LYS 14 HE1 LYS 14 2.699 -8.749 1.152 91 HZ1 LYS 14 HZ1 LYS 14 3.796 -10.713 0.279 92 HZ2 LYS 14 HZ2 LYS 14 2.500 -11.010 -0.767 93 HZ3 LYS 14 HZ3 LYS 14 2.279 -11.115 0.903 94 H CYS 15 HN CYS 15 0.104 -3.811 -1.419 95 HA CYS 15 HA CYS 15 -1.496 -3.365 0.880 96 HB2 CYS 15 HB2 CYS 15 0.078 -1.560 -0.944 97 HB3 CYS 15 HB1 CYS 15 -0.839 -0.956 0.426 98 H HIS 16 HN HIS 16 -1.874 -2.795 -2.569 99 HA HIS 16 HA HIS 16 -4.328 -1.474 -2.595 100 HB2 HIS 16 HB2 HIS 16 -3.014 -1.978 -4.621 101 HB3 HIS 16 HB1 HIS 16 -3.337 -3.692 -4.414 102 HD1 HIS 16 HD1 HIS 16 -4.895 -0.519 -5.630 103 HD2 HIS 16 HD2 HIS 16 -5.871 -4.535 -5.254 104 HE1 HIS 16 HE1 HIS 16 -6.999 -0.836 -6.964 105 HE2 HIS 16 HE2 HIS 16 -7.410 -3.317 -6.930 106 H ASN 17 HN ASN 17 -3.614 -4.933 -2.407 107 HA ASN 17 HA ASN 17 -6.244 -5.859 -2.063 108 HB2 ASN 17 HB2 ASN 17 -3.516 -6.937 -1.568 109 HB3 ASN 17 HB1 ASN 17 -4.854 -7.772 -0.812 110 HD21 ASN 17 HD21 ASN 17 -3.256 -7.004 -3.721 111 HD22 ASN 17 HD22 ASN 17 -4.151 -8.057 -4.762 112 H HIS 18 HN HIS 18 -3.775 -4.921 0.307 113 HA HIS 18 HA HIS 18 -5.148 -5.684 2.610 114 HB2 HIS 18 HB2 HIS 18 -2.895 -5.222 2.958 115 HB3 HIS 18 HB1 HIS 18 -2.956 -3.717 2.053 116 HD1 HIS 18 HD1 HIS 18 -4.253 -5.094 5.368 117 HD2 HIS 18 HD2 HIS 18 -3.111 -1.523 3.574 118 HE1 HIS 18 HE1 HIS 18 -4.407 -3.348 7.177 119 HE2 HIS 18 HE2 HIS 18 -3.542 -1.230 6.112 120 H CYS 19 HN CYS 19 -5.086 -2.522 0.971 121 HA CYS 19 HA CYS 19 -6.740 -1.234 2.858 122 HB2 CYS 19 HB2 CYS 19 -6.318 -0.576 -0.065 123 HB3 CYS 19 HB1 CYS 19 -7.030 0.498 1.133 124 H LYS 20 HN LYS 20 -7.454 -3.002 -0.108 125 HA LYS 20 HA LYS 20 -10.230 -2.359 -0.149 126 HB2 LYS 20 HB2 LYS 20 -8.653 -4.533 -1.499 127 HB3 LYS 20 HB1 LYS 20 -10.352 -4.188 -1.820 128 HG2 LYS 20 HG2 LYS 20 -9.845 -2.018 -2.632 129 HG3 LYS 20 HG1 LYS 20 -8.172 -2.146 -2.086 130 HD2 LYS 20 HD2 LYS 20 -8.352 -2.471 -4.494 131 HD3 LYS 20 HD1 LYS 20 -7.777 -3.930 -3.687 132 HE2 LYS 20 HE2 LYS 20 -9.380 -4.540 -5.341 133 HE3 LYS 20 HE1 LYS 20 -10.078 -4.806 -3.737 134 HZ1 LYS 20 HZ1 LYS 20 -11.319 -2.768 -3.947 135 HZ2 LYS 20 HZ2 LYS 20 -11.644 -3.756 -5.277 136 HZ3 LYS 20 HZ3 LYS 20 -10.609 -2.434 -5.443 137 H SER 21 HN SER 21 -8.326 -4.674 1.514 138 HA SER 21 HA SER 21 -10.506 -6.376 2.281 139 HB2 SER 21 HB2 SER 21 -8.191 -7.214 2.254 140 HB3 SER 21 HB1 SER 21 -7.747 -6.045 3.497 141 HG SER 21 HG SER 21 -9.784 -7.293 4.494 142 H ILE 22 HN ILE 22 -9.547 -3.275 3.094 143 HA ILE 22 HA ILE 22 -10.781 -3.378 5.751 144 HB ILE 22 HB ILE 22 -9.357 -1.072 4.439 145 HG12 ILE 22 HG12 ILE 22 -8.318 -3.058 6.458 146 HG13 ILE 22 HG11 ILE 22 -7.802 -2.932 4.781 147 HG21 ILE 22 HG21 ILE 22 -10.372 -1.532 7.219 148 HG22 ILE 22 HG22 ILE 22 -10.781 -0.228 6.096 149 HG23 ILE 22 HG23 ILE 22 -9.174 -0.297 6.829 150 HD11 ILE 22 HD11 ILE 22 -7.444 -0.836 6.903 151 HD12 ILE 22 HD12 ILE 22 -6.914 -0.711 5.225 152 HD13 ILE 22 HD13 ILE 22 -6.195 -1.919 6.291 153 H LYS 23 HN LYS 23 -12.560 -2.267 6.226 154 HA LYS 23 HA LYS 23 -14.815 -2.135 5.464 155 HB2 LYS 23 HB2 LYS 23 -15.005 0.523 5.232 156 HB3 LYS 23 HB1 LYS 23 -14.812 -0.312 6.766 157 HG2 LYS 23 HG2 LYS 23 -12.477 0.174 6.810 158 HG3 LYS 23 HG1 LYS 23 -12.524 0.813 5.166 159 HD2 LYS 23 HD2 LYS 23 -12.456 2.610 6.789 160 HD3 LYS 23 HD1 LYS 23 -13.983 2.625 5.910 161 HE2 LYS 23 HE2 LYS 23 -14.488 3.030 8.196 162 HE3 LYS 23 HE1 LYS 23 -14.993 1.381 7.840 163 HZ1 LYS 23 HZ1 LYS 23 -13.845 1.516 9.953 164 HZ2 LYS 23 HZ2 LYS 23 -12.478 2.165 9.207 165 HZ3 LYS 23 HZ3 LYS 23 -12.952 0.579 8.866 166 H GLY 24 HN GLY 24 -13.867 0.676 3.615 167 HA2 GLY 24 HA2 GLY 24 -14.868 -0.676 1.198 168 HA3 GLY 24 HA1 GLY 24 -15.514 0.878 1.699 169 H TYR 25 HN TYR 25 -12.128 0.162 2.107 170 HA TYR 25 HA TYR 25 -11.371 2.406 0.538 171 HB2 TYR 25 HB2 TYR 25 -9.668 0.069 1.418 172 HB3 TYR 25 HB1 TYR 25 -9.066 1.599 0.794 173 HD1 TYR 25 HD1 TYR 25 -11.617 2.831 2.499 174 HD2 TYR 25 HD2 TYR 25 -8.042 0.680 3.333 175 HE1 TYR 25 HE1 TYR 25 -11.596 3.765 4.770 176 HE2 TYR 25 HE2 TYR 25 -8.015 1.603 5.610 177 HH TYR 25 HH TYR 25 -8.888 3.305 6.927 178 H LYS 26 HN LYS 26 -10.571 2.570 -1.498 179 HA LYS 26 HA LYS 26 -11.637 0.584 -3.320 180 HB2 LYS 26 HB2 LYS 26 -12.137 2.916 -3.724 181 HB3 LYS 26 HB1 LYS 26 -10.425 3.320 -3.712 182 HG2 LYS 26 HG2 LYS 26 -10.060 2.206 -5.774 183 HG3 LYS 26 HG1 LYS 26 -11.670 1.481 -5.742 184 HD2 LYS 26 HD2 LYS 26 -11.532 3.398 -7.294 185 HD3 LYS 26 HD1 LYS 26 -12.697 3.664 -5.997 186 HE2 LYS 26 HE2 LYS 26 -11.002 4.977 -4.782 187 HE3 LYS 26 HE1 LYS 26 -9.888 4.754 -6.129 188 HZ1 LYS 26 HZ1 LYS 26 -11.489 5.907 -7.552 189 HZ2 LYS 26 HZ2 LYS 26 -10.952 6.883 -6.280 190 HZ3 LYS 26 HZ3 LYS 26 -12.489 6.177 -6.213 191 H GLY 27 HN GLY 27 -8.513 1.996 -2.471 192 HA2 GLY 27 HA2 GLY 27 -7.190 -0.337 -3.541 193 HA3 GLY 27 HA1 GLY 27 -6.855 1.139 -4.429 194 H GLY 28 HN GLY 28 -4.697 0.095 -3.500 195 HA2 GLY 28 HA2 GLY 28 -3.874 1.938 -1.411 196 HA3 GLY 28 HA1 GLY 28 -3.714 0.230 -1.021 197 H TYR 29 HN TYR 29 -1.622 2.270 -1.338 198 HA TYR 29 HA TYR 29 0.081 0.829 -3.184 199 HB2 TYR 29 HB2 TYR 29 0.628 2.784 -4.558 200 HB3 TYR 29 HB1 TYR 29 -1.083 2.399 -4.686 201 HD1 TYR 29 HD1 TYR 29 1.255 4.985 -4.177 202 HD2 TYR 29 HD2 TYR 29 -2.645 3.734 -3.035 203 HE1 TYR 29 HE1 TYR 29 0.692 7.301 -3.573 204 HE2 TYR 29 HE2 TYR 29 -3.216 6.042 -2.424 205 HH TYR 29 HH TYR 29 -1.179 8.714 -3.242 206 H CYS 30 HN CYS 30 2.328 1.541 -3.056 207 HA CYS 30 HA CYS 30 3.108 2.306 -0.419 208 HB2 CYS 30 HB2 CYS 30 4.931 2.505 -2.807 209 HB3 CYS 30 HB1 CYS 30 5.325 2.070 -1.156 210 H ALA 31 HN ALA 31 3.053 4.364 0.373 211 HA ALA 31 HA ALA 31 2.565 6.485 -1.565 212 HB1 ALA 31 HB1 ALA 31 1.849 7.810 0.289 213 HB2 ALA 31 HB2 ALA 31 2.527 6.661 1.437 214 HB3 ALA 31 HB3 ALA 31 1.144 6.203 0.446 215 H LYS 32 HN LYS 32 4.940 5.675 0.924 216 HA LYS 32 HA LYS 32 6.670 7.780 -0.167 217 HB2 LYS 32 HB2 LYS 32 6.175 7.275 2.756 218 HB3 LYS 32 HB1 LYS 32 7.413 8.343 2.112 219 HG2 LYS 32 HG2 LYS 32 5.430 9.476 0.885 220 HG3 LYS 32 HG1 LYS 32 4.449 8.666 2.107 221 HD2 LYS 32 HD2 LYS 32 6.796 10.437 2.692 222 HD3 LYS 32 HD1 LYS 32 5.119 10.977 2.713 223 HE2 LYS 32 HE2 LYS 32 4.653 9.248 4.446 224 HE3 LYS 32 HE1 LYS 32 6.375 8.880 4.480 225 HZ1 LYS 32 HZ1 LYS 32 6.803 11.168 5.162 226 HZ2 LYS 32 HZ2 LYS 32 5.783 10.385 6.257 227 HZ3 LYS 32 HZ3 LYS 32 5.143 11.496 5.156 228 H GLY 33 HN GLY 33 7.423 5.694 -1.234 229 HA2 GLY 33 HA2 GLY 33 9.456 4.624 -1.542 230 HA3 GLY 33 HA1 GLY 33 9.944 5.160 0.055 231 H GLY 34 HN GLY 34 7.048 3.294 -0.674 232 HA2 GLY 34 HA2 GLY 34 6.610 1.036 -0.362 233 HA3 GLY 34 HA1 GLY 34 8.303 0.795 0.016 234 H PHE 35 HN PHE 35 7.793 3.124 2.053 235 HA PHE 35 HA PHE 35 7.520 1.403 4.291 236 HB2 PHE 35 HB2 PHE 35 7.552 4.411 4.033 237 HB3 PHE 35 HB1 PHE 35 7.456 3.587 5.585 238 HD1 PHE 35 HD1 PHE 35 9.585 4.533 2.811 239 HD2 PHE 35 HD2 PHE 35 9.352 2.225 6.380 240 HE1 PHE 35 HE1 PHE 35 12.037 4.350 2.850 241 HE2 PHE 35 HE2 PHE 35 11.805 2.037 6.423 242 HZ PHE 35 HZ PHE 35 13.148 3.083 4.655 243 H VAL 36 HN VAL 36 5.484 4.187 3.414 244 HA VAL 36 HA VAL 36 3.311 3.041 4.966 245 HB VAL 36 HB VAL 36 3.558 5.301 5.459 246 HG11 VAL 36 HG11 VAL 36 5.083 5.954 3.761 247 HG12 VAL 36 HG12 VAL 36 3.720 7.075 3.731 248 HG13 VAL 36 HG13 VAL 36 3.843 5.800 2.521 249 HG21 VAL 36 HG21 VAL 36 1.561 6.426 4.672 250 HG22 VAL 36 HG22 VAL 36 1.209 4.728 4.990 251 HG23 VAL 36 HG23 VAL 36 1.423 5.289 3.330 252 H CYS 37 HN CYS 37 1.519 2.179 4.138 253 HA CYS 37 HA CYS 37 1.151 2.292 1.244 254 HB2 CYS 37 HB2 CYS 37 0.249 0.307 3.318 255 HB3 CYS 37 HB1 CYS 37 -0.408 0.335 1.687 256 H LYS 38 HN LYS 38 0.068 4.035 0.878 257 HA LYS 38 HA LYS 38 -2.035 5.063 2.499 258 HB2 LYS 38 HB2 LYS 38 -0.675 6.548 1.178 259 HB3 LYS 38 HB1 LYS 38 -1.090 5.689 -0.294 260 HG2 LYS 38 HG2 LYS 38 -2.291 7.750 -0.248 261 HG3 LYS 38 HG1 LYS 38 -3.432 6.424 -0.026 262 HD2 LYS 38 HD2 LYS 38 -3.481 6.846 2.366 263 HD3 LYS 38 HD1 LYS 38 -2.288 8.135 2.180 264 HE2 LYS 38 HE2 LYS 38 -5.019 8.093 0.892 265 HE3 LYS 38 HE1 LYS 38 -4.604 8.985 2.361 266 HZ1 LYS 38 HZ1 LYS 38 -3.456 9.410 -0.345 267 HZ2 LYS 38 HZ2 LYS 38 -2.945 10.213 1.049 268 HZ3 LYS 38 HZ3 LYS 38 -4.516 10.442 0.472 269 H CYS 39 HN CYS 39 -4.206 5.012 2.154 270 HA CYS 39 HA CYS 39 -5.209 3.158 0.100 271 HB2 CYS 39 HB2 CYS 39 -6.441 3.610 2.825 272 HB3 CYS 39 HB1 CYS 39 -6.927 2.420 1.630 273 H TYR 40 HN TYR 40 -7.356 3.711 -0.712 274 HA TYR 40 HA TYR 40 -8.324 6.357 -0.031 275 HB2 TYR 40 HB2 TYR 40 -8.414 6.940 -2.496 276 HB3 TYR 40 HB1 TYR 40 -6.822 6.973 -1.752 277 HD1 TYR 40 HD1 TYR 40 -5.116 5.404 -2.418 278 HD2 TYR 40 HD2 TYR 40 -9.010 5.187 -4.113 279 HE1 TYR 40 HE1 TYR 40 -4.262 3.921 -4.183 280 HE2 TYR 40 HE2 TYR 40 -8.162 3.702 -5.881 281 HH TYR 40 HH TYR 40 -5.025 2.295 -5.746 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 4.793 -3.256 8.838 2 H2 GLY 1 HT2 GLY 1 4.335 -4.832 8.432 3 H3 GLY 1 HT3 GLY 1 3.201 -3.768 9.088 4 HA2 GLY 1 HA1 GLY 1 3.378 -2.348 7.129 5 HA3 GLY 1 HA2 GLY 1 4.519 -3.497 6.449 6 H PHE 2 HN PHE 2 2.559 -3.106 4.842 7 HA PHE 2 HA PHE 2 0.863 -5.486 5.165 8 HB2 PHE 2 HB2 PHE 2 -0.059 -2.815 4.077 9 HB3 PHE 2 HB1 PHE 2 -1.021 -4.287 4.129 10 HD1 PHE 2 HD1 PHE 2 0.094 -1.392 5.941 11 HD2 PHE 2 HD2 PHE 2 -1.668 -5.242 6.341 12 HE1 PHE 2 HE1 PHE 2 -0.725 -0.780 8.177 13 HE2 PHE 2 HE2 PHE 2 -2.492 -4.639 8.575 14 HZ PHE 2 HZ PHE 2 -2.021 -2.403 9.501 15 H GLY 3 HN GLY 3 3.351 -4.467 3.615 16 HA2 GLY 3 HA2 GLY 3 3.331 -6.073 1.442 17 HA3 GLY 3 HA1 GLY 3 2.507 -4.634 0.860 18 H CYS 4 HN CYS 4 3.772 -2.535 1.590 19 HA CYS 4 HA CYS 4 6.306 -2.723 0.286 20 HB2 CYS 4 HB2 CYS 4 5.511 -0.229 1.682 21 HB3 CYS 4 HB1 CYS 4 6.154 -0.469 0.074 22 H ASN 5 HN ASN 5 7.707 -3.879 1.596 23 HA ASN 5 HA ASN 5 8.292 -2.759 4.245 24 HB2 ASN 5 HB2 ASN 5 9.127 -5.363 2.940 25 HB3 ASN 5 HB1 ASN 5 9.738 -4.816 4.493 26 HD21 ASN 5 HD21 ASN 5 7.349 -3.723 5.469 27 HD22 ASN 5 HD22 ASN 5 6.273 -5.031 5.811 28 H GLY 6 HN GLY 6 8.976 -1.191 2.096 29 HA2 GLY 6 HA2 GLY 6 11.069 0.076 2.024 30 HA3 GLY 6 HA1 GLY 6 11.913 -1.469 1.995 31 HA PRO 7 HA PRO 7 10.885 0.611 -2.380 32 HB2 PRO 7 HB2 PRO 7 13.766 0.439 -2.620 33 HB3 PRO 7 HB1 PRO 7 12.736 1.860 -2.778 34 HG2 PRO 7 HG2 PRO 7 14.347 0.969 -0.519 35 HG3 PRO 7 HG1 PRO 7 13.596 2.547 -0.801 36 HD2 PRO 7 HD2 PRO 7 12.769 0.814 1.120 37 HD3 PRO 7 HD1 PRO 7 11.684 1.969 0.320 38 H TRP 8 HN TRP 8 13.399 -1.662 -1.300 39 HA TRP 8 HA TRP 8 13.768 -3.128 -3.621 40 HB2 TRP 8 HB2 TRP 8 13.773 -4.683 -1.102 41 HB3 TRP 8 HB1 TRP 8 15.026 -4.521 -2.327 42 HD1 TRP 8 HD1 TRP 8 13.577 -2.570 0.678 43 HE1 TRP 8 HE1 TRP 8 15.468 -1.126 1.675 44 HE3 TRP 8 HE3 TRP 8 17.240 -3.534 -2.757 45 HZ2 TRP 8 HZ2 TRP 8 18.147 -0.488 1.082 46 HZ3 TRP 8 HZ3 TRP 8 19.436 -2.464 -2.471 47 HH2 TRP 8 HH2 TRP 8 19.878 -0.972 -0.592 48 H GLN 9 HN GLN 9 11.319 -3.347 -1.175 49 HA GLN 9 HA GLN 9 10.113 -5.748 -2.268 50 HB2 GLN 9 HB2 GLN 9 8.981 -3.925 -0.142 51 HB3 GLN 9 HB1 GLN 9 8.665 -5.639 -0.382 52 HG2 GLN 9 HG2 GLN 9 11.430 -4.745 0.245 53 HG3 GLN 9 HG1 GLN 9 10.249 -4.817 1.537 54 HE21 GLN 9 HE21 GLN 9 12.629 -6.362 1.264 55 HE22 GLN 9 HE22 GLN 9 12.160 -8.022 1.166 56 H GLU 10 HN GLU 10 8.755 -2.619 -1.332 57 HA GLU 10 HA GLU 10 7.100 -1.327 -2.196 58 HB2 GLU 10 HB2 GLU 10 9.265 -1.099 -3.689 59 HB3 GLU 10 HB1 GLU 10 8.218 -1.801 -4.915 60 HG2 GLU 10 HG2 GLU 10 6.579 0.016 -4.390 61 HG3 GLU 10 HG1 GLU 10 7.828 0.762 -3.408 62 H ASP 11 HN ASP 11 6.198 -3.951 -1.907 63 HA ASP 11 HA ASP 11 4.889 -4.851 -4.272 64 HB2 ASP 11 HB2 ASP 11 4.637 -5.590 -1.360 65 HB3 ASP 11 HB1 ASP 11 3.609 -6.302 -2.598 66 H ASP 12 HN ASP 12 3.646 -3.296 -5.122 67 HA ASP 12 HA ASP 12 2.076 -1.484 -3.636 68 HB2 ASP 12 HB2 ASP 12 1.489 -0.568 -5.703 69 HB3 ASP 12 HB1 ASP 12 3.052 -1.291 -6.005 70 H LEU 13 HN LEU 13 1.295 -4.371 -5.479 71 HA LEU 13 HA LEU 13 -1.493 -4.152 -5.197 72 HB2 LEU 13 HB2 LEU 13 -0.298 -5.559 -6.883 73 HB3 LEU 13 HB1 LEU 13 0.044 -6.705 -5.603 74 HG LEU 13 HG LEU 13 -2.404 -6.986 -5.243 75 HD11 LEU 13 HD11 LEU 13 -3.926 -6.183 -6.994 76 HD12 LEU 13 HD12 LEU 13 -2.600 -5.267 -7.705 77 HD13 LEU 13 HD13 LEU 13 -3.178 -4.868 -6.088 78 HD21 LEU 13 HD21 LEU 13 -1.419 -7.551 -8.040 79 HD22 LEU 13 HD22 LEU 13 -2.790 -8.332 -7.250 80 HD23 LEU 13 HD23 LEU 13 -1.159 -8.568 -6.621 81 H LYS 14 HN LYS 14 0.947 -5.725 -3.190 82 HA LYS 14 HA LYS 14 -0.762 -7.084 -1.437 83 HB2 LYS 14 HB2 LYS 14 1.984 -5.924 -1.253 84 HB3 LYS 14 HB1 LYS 14 1.186 -6.348 0.253 85 HG2 LYS 14 HG2 LYS 14 1.410 -8.306 -2.003 86 HG3 LYS 14 HG1 LYS 14 2.715 -8.078 -0.837 87 HD2 LYS 14 HD2 LYS 14 -0.125 -8.722 -0.059 88 HD3 LYS 14 HD1 LYS 14 1.121 -9.946 -0.304 89 HE2 LYS 14 HE2 LYS 14 1.302 -7.667 1.672 90 HE3 LYS 14 HE1 LYS 14 0.823 -9.317 2.073 91 HZ1 LYS 14 HZ1 LYS 14 3.450 -8.505 0.955 92 HZ2 LYS 14 HZ2 LYS 14 2.996 -10.084 1.337 93 HZ3 LYS 14 HZ3 LYS 14 3.149 -8.929 2.563 94 H CYS 15 HN CYS 15 0.418 -3.737 -1.362 95 HA CYS 15 HA CYS 15 -0.962 -3.019 1.012 96 HB2 CYS 15 HB2 CYS 15 0.948 -1.724 0.130 97 HB3 CYS 15 HB1 CYS 15 -0.023 -1.252 -1.261 98 H HIS 16 HN HIS 16 -1.660 -2.638 -2.426 99 HA HIS 16 HA HIS 16 -4.123 -1.372 -2.298 100 HB2 HIS 16 HB2 HIS 16 -2.889 -1.700 -4.373 101 HB3 HIS 16 HB1 HIS 16 -3.091 -3.440 -4.252 102 HD1 HIS 16 HD1 HIS 16 -4.897 -0.318 -5.252 103 HD2 HIS 16 HD2 HIS 16 -5.548 -4.420 -5.094 104 HE1 HIS 16 HE1 HIS 16 -7.034 -0.709 -6.509 105 HE2 HIS 16 HE2 HIS 16 -7.236 -3.219 -6.641 106 H ASN 17 HN ASN 17 -3.416 -4.833 -2.390 107 HA ASN 17 HA ASN 17 -6.006 -5.829 -2.216 108 HB2 ASN 17 HB2 ASN 17 -3.295 -6.900 -1.550 109 HB3 ASN 17 HB1 ASN 17 -4.708 -7.837 -1.100 110 HD21 ASN 17 HD21 ASN 17 -2.611 -8.438 -2.992 111 HD22 ASN 17 HD22 ASN 17 -3.376 -8.666 -4.519 112 H HIS 18 HN HIS 18 -3.745 -4.960 0.370 113 HA HIS 18 HA HIS 18 -5.231 -5.911 2.528 114 HB2 HIS 18 HB2 HIS 18 -3.109 -5.268 3.154 115 HB3 HIS 18 HB1 HIS 18 -3.143 -3.810 2.172 116 HD1 HIS 18 HD1 HIS 18 -4.872 -5.076 5.345 117 HD2 HIS 18 HD2 HIS 18 -3.398 -1.585 3.636 118 HE1 HIS 18 HE1 HIS 18 -5.256 -3.273 7.051 119 HE2 HIS 18 HE2 HIS 18 -4.391 -1.160 5.991 120 H CYS 19 HN CYS 19 -5.337 -2.770 0.905 121 HA CYS 19 HA CYS 19 -7.274 -1.694 2.696 122 HB2 CYS 19 HB2 CYS 19 -6.515 -0.726 -0.064 123 HB3 CYS 19 HB1 CYS 19 -7.337 0.205 1.185 124 H LYS 20 HN LYS 20 -7.475 -3.762 -0.025 125 HA LYS 20 HA LYS 20 -10.066 -3.085 -0.943 126 HB2 LYS 20 HB2 LYS 20 -8.720 -5.788 -1.041 127 HB3 LYS 20 HB1 LYS 20 -10.078 -5.267 -2.023 128 HG2 LYS 20 HG2 LYS 20 -7.377 -3.976 -2.084 129 HG3 LYS 20 HG1 LYS 20 -7.873 -5.264 -3.181 130 HD2 LYS 20 HD2 LYS 20 -9.508 -2.771 -2.931 131 HD3 LYS 20 HD1 LYS 20 -8.042 -2.773 -3.908 132 HE2 LYS 20 HE2 LYS 20 -9.936 -3.224 -5.325 133 HE3 LYS 20 HE1 LYS 20 -8.941 -4.671 -5.204 134 HZ1 LYS 20 HZ1 LYS 20 -11.414 -4.193 -3.634 135 HZ2 LYS 20 HZ2 LYS 20 -10.502 -5.618 -3.670 136 HZ3 LYS 20 HZ3 LYS 20 -11.339 -5.114 -5.048 137 H SER 21 HN SER 21 -8.845 -5.055 1.649 138 HA SER 21 HA SER 21 -11.390 -6.330 2.168 139 HB2 SER 21 HB2 SER 21 -9.272 -7.566 2.457 140 HB3 SER 21 HB1 SER 21 -8.786 -6.430 3.712 141 HG SER 21 HG SER 21 -11.018 -7.167 4.601 142 H ILE 22 HN ILE 22 -10.244 -3.319 2.779 143 HA ILE 22 HA ILE 22 -11.435 -3.125 5.449 144 HB ILE 22 HB ILE 22 -10.013 -0.946 3.928 145 HG12 ILE 22 HG12 ILE 22 -8.885 -2.781 6.046 146 HG13 ILE 22 HG11 ILE 22 -8.488 -2.869 4.336 147 HG21 ILE 22 HG21 ILE 22 -9.709 -0.054 6.276 148 HG22 ILE 22 HG22 ILE 22 -10.902 -1.254 6.780 149 HG23 ILE 22 HG23 ILE 22 -11.342 -0.001 5.619 150 HD11 ILE 22 HD11 ILE 22 -7.523 -0.639 4.455 151 HD12 ILE 22 HD12 ILE 22 -6.757 -1.736 5.605 152 HD13 ILE 22 HD13 ILE 22 -7.939 -0.552 6.163 153 H LYS 23 HN LYS 23 -13.143 -1.885 5.886 154 HA LYS 23 HA LYS 23 -15.440 -1.843 5.087 155 HB2 LYS 23 HB2 LYS 23 -15.602 0.823 4.978 156 HB3 LYS 23 HB1 LYS 23 -15.400 -0.083 6.471 157 HG2 LYS 23 HG2 LYS 23 -12.987 0.289 6.353 158 HG3 LYS 23 HG1 LYS 23 -13.204 1.223 4.873 159 HD2 LYS 23 HD2 LYS 23 -12.953 2.703 6.771 160 HD3 LYS 23 HD1 LYS 23 -14.588 2.829 6.124 161 HE2 LYS 23 HE2 LYS 23 -14.062 0.912 8.342 162 HE3 LYS 23 HE1 LYS 23 -14.147 2.630 8.715 163 HZ1 LYS 23 HZ1 LYS 23 -16.352 2.718 7.822 164 HZ2 LYS 23 HZ2 LYS 23 -16.287 1.471 8.956 165 HZ3 LYS 23 HZ3 LYS 23 -16.275 1.113 7.307 166 H GLY 24 HN GLY 24 -14.601 1.071 3.402 167 HA2 GLY 24 HA2 GLY 24 -15.582 -0.181 0.914 168 HA3 GLY 24 HA1 GLY 24 -16.114 1.406 1.447 169 H TYR 25 HN TYR 25 -12.821 0.360 1.825 170 HA TYR 25 HA TYR 25 -11.815 2.610 0.425 171 HB2 TYR 25 HB2 TYR 25 -10.463 0.073 1.351 172 HB3 TYR 25 HB1 TYR 25 -9.601 1.423 0.625 173 HD1 TYR 25 HD1 TYR 25 -12.142 2.923 2.425 174 HD2 TYR 25 HD2 TYR 25 -8.505 0.804 3.028 175 HE1 TYR 25 HE1 TYR 25 -11.907 3.964 4.639 176 HE2 TYR 25 HE2 TYR 25 -8.264 1.828 5.244 177 HH TYR 25 HH TYR 25 -10.778 3.534 6.774 178 H LYS 26 HN LYS 26 -10.584 2.669 -1.482 179 HA LYS 26 HA LYS 26 -11.702 0.977 -3.570 180 HB2 LYS 26 HB2 LYS 26 -11.745 3.347 -3.975 181 HB3 LYS 26 HB1 LYS 26 -10.037 3.497 -3.586 182 HG2 LYS 26 HG2 LYS 26 -9.480 2.184 -5.576 183 HG3 LYS 26 HG1 LYS 26 -11.198 2.075 -5.971 184 HD2 LYS 26 HD2 LYS 26 -11.355 4.416 -6.322 185 HD3 LYS 26 HD1 LYS 26 -9.763 4.696 -5.619 186 HE2 LYS 26 HE2 LYS 26 -8.740 3.465 -7.468 187 HE3 LYS 26 HE1 LYS 26 -10.333 3.212 -8.178 188 HZ1 LYS 26 HZ1 LYS 26 -10.567 5.603 -8.412 189 HZ2 LYS 26 HZ2 LYS 26 -9.182 5.063 -9.217 190 HZ3 LYS 26 HZ3 LYS 26 -9.041 5.846 -7.725 191 H GLY 27 HN GLY 27 -8.536 2.030 -2.370 192 HA2 GLY 27 HA2 GLY 27 -7.362 -0.524 -2.967 193 HA3 GLY 27 HA1 GLY 27 -6.860 0.727 -4.093 194 H GLY 28 HN GLY 28 -4.741 0.106 -3.124 195 HA2 GLY 28 HA2 GLY 28 -4.067 2.076 -1.107 196 HA3 GLY 28 HA1 GLY 28 -3.734 0.402 -0.679 197 H TYR 29 HN TYR 29 -1.668 2.247 -0.831 198 HA TYR 29 HA TYR 29 0.008 1.019 -2.797 199 HB2 TYR 29 HB2 TYR 29 0.501 2.916 -4.175 200 HB3 TYR 29 HB1 TYR 29 -1.243 2.700 -4.178 201 HD1 TYR 29 HD1 TYR 29 1.218 5.087 -4.122 202 HD2 TYR 29 HD2 TYR 29 -2.389 4.093 -2.103 203 HE1 TYR 29 HE1 TYR 29 0.945 7.439 -3.466 204 HE2 TYR 29 HE2 TYR 29 -2.678 6.440 -1.443 205 HH TYR 29 HH TYR 29 -1.099 8.467 -1.089 206 H CYS 30 HN CYS 30 2.214 1.814 -2.712 207 HA CYS 30 HA CYS 30 3.011 2.436 -0.022 208 HB2 CYS 30 HB2 CYS 30 4.777 2.309 -2.470 209 HB3 CYS 30 HB1 CYS 30 5.230 2.007 -0.798 210 H ALA 31 HN ALA 31 2.743 4.521 0.643 211 HA ALA 31 HA ALA 31 2.447 6.615 -1.277 212 HB1 ALA 31 HB1 ALA 31 2.656 6.900 1.709 213 HB2 ALA 31 HB2 ALA 31 1.177 6.484 0.846 214 HB3 ALA 31 HB3 ALA 31 1.949 8.046 0.571 215 H LYS 32 HN LYS 32 4.988 5.806 1.051 216 HA LYS 32 HA LYS 32 6.599 8.019 0.008 217 HB2 LYS 32 HB2 LYS 32 7.034 6.227 2.404 218 HB3 LYS 32 HB1 LYS 32 8.154 7.478 1.887 219 HG2 LYS 32 HG2 LYS 32 5.327 7.892 2.831 220 HG3 LYS 32 HG1 LYS 32 6.801 8.263 3.724 221 HD2 LYS 32 HD2 LYS 32 7.416 9.864 1.920 222 HD3 LYS 32 HD1 LYS 32 5.847 9.556 1.173 223 HE2 LYS 32 HE2 LYS 32 5.725 11.576 2.479 224 HE3 LYS 32 HE1 LYS 32 4.746 10.325 3.243 225 HZ1 LYS 32 HZ1 LYS 32 6.060 11.547 4.860 226 HZ2 LYS 32 HZ2 LYS 32 7.488 11.112 4.069 227 HZ3 LYS 32 HZ3 LYS 32 6.539 9.926 4.811 228 H GLY 33 HN GLY 33 6.276 6.159 -1.856 229 HA2 GLY 33 HA2 GLY 33 7.739 5.312 -3.455 230 HA3 GLY 33 HA1 GLY 33 9.007 5.268 -2.237 231 H GLY 34 HN GLY 34 8.328 3.740 -0.345 232 HA2 GLY 34 HA2 GLY 34 6.949 1.341 -1.141 233 HA3 GLY 34 HA1 GLY 34 8.690 1.157 -1.183 234 H PHE 35 HN PHE 35 7.152 3.227 1.151 235 HA PHE 35 HA PHE 35 8.039 1.345 3.233 236 HB2 PHE 35 HB2 PHE 35 7.872 4.353 3.164 237 HB3 PHE 35 HB1 PHE 35 7.992 3.477 4.683 238 HD1 PHE 35 HD1 PHE 35 9.741 4.694 1.784 239 HD2 PHE 35 HD2 PHE 35 10.013 2.082 5.129 240 HE1 PHE 35 HE1 PHE 35 12.186 4.618 1.519 241 HE2 PHE 35 HE2 PHE 35 12.459 2.000 4.874 242 HZ PHE 35 HZ PHE 35 13.549 3.261 3.076 243 H VAL 36 HN VAL 36 5.730 4.042 3.092 244 HA VAL 36 HA VAL 36 4.060 2.680 5.007 245 HB VAL 36 HB VAL 36 4.363 4.972 5.459 246 HG11 VAL 36 HG11 VAL 36 3.757 6.740 3.829 247 HG12 VAL 36 HG12 VAL 36 3.575 5.476 2.611 248 HG13 VAL 36 HG13 VAL 36 5.146 5.756 3.363 249 HG21 VAL 36 HG21 VAL 36 2.091 4.234 5.870 250 HG22 VAL 36 HG22 VAL 36 1.640 4.642 4.214 251 HG23 VAL 36 HG23 VAL 36 2.098 5.918 5.342 252 H CYS 37 HN CYS 37 2.168 1.771 4.671 253 HA CYS 37 HA CYS 37 1.190 1.515 1.941 254 HB2 CYS 37 HB2 CYS 37 1.559 -0.575 3.127 255 HB3 CYS 37 HB1 CYS 37 0.563 -0.025 4.471 256 H LYS 38 HN LYS 38 0.032 3.330 1.582 257 HA LYS 38 HA LYS 38 -2.027 4.132 3.499 258 HB2 LYS 38 HB2 LYS 38 -0.560 5.872 2.493 259 HB3 LYS 38 HB1 LYS 38 -1.186 5.449 0.906 260 HG2 LYS 38 HG2 LYS 38 -3.496 5.961 1.937 261 HG3 LYS 38 HG1 LYS 38 -2.573 6.813 3.174 262 HD2 LYS 38 HD2 LYS 38 -1.625 8.278 1.550 263 HD3 LYS 38 HD1 LYS 38 -2.276 7.306 0.232 264 HE2 LYS 38 HE2 LYS 38 -4.523 7.913 0.798 265 HE3 LYS 38 HE1 LYS 38 -3.977 8.742 2.258 266 HZ1 LYS 38 HZ1 LYS 38 -2.760 10.300 0.820 267 HZ2 LYS 38 HZ2 LYS 38 -4.427 10.334 0.544 268 HZ3 LYS 38 HZ3 LYS 38 -3.410 9.538 -0.544 269 H CYS 39 HN CYS 39 -4.207 4.604 2.645 270 HA CYS 39 HA CYS 39 -4.953 2.816 0.430 271 HB2 CYS 39 HB2 CYS 39 -6.629 3.426 2.872 272 HB3 CYS 39 HB1 CYS 39 -7.044 2.327 1.566 273 H TYR 40 HN TYR 40 -6.847 3.503 -0.767 274 HA TYR 40 HA TYR 40 -7.636 6.281 -0.395 275 HB2 TYR 40 HB2 TYR 40 -7.420 6.638 -2.888 276 HB3 TYR 40 HB1 TYR 40 -5.901 6.546 -2.006 277 HD1 TYR 40 HD1 TYR 40 -4.321 4.764 -2.453 278 HD2 TYR 40 HD2 TYR 40 -8.143 4.776 -4.329 279 HE1 TYR 40 HE1 TYR 40 -3.567 3.007 -3.999 280 HE2 TYR 40 HE2 TYR 40 -7.394 3.022 -5.876 281 HH TYR 40 HH TYR 40 -4.565 1.233 -5.410 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 4.349 -1.609 7.113 2 H2 GLY 1 HT2 GLY 1 2.944 -2.540 7.201 3 H3 GLY 1 HT3 GLY 1 2.991 -1.169 6.208 4 HA2 GLY 1 HA1 GLY 1 4.709 -2.225 4.841 5 HA3 GLY 1 HA2 GLY 1 4.556 -3.660 5.839 6 H PHE 2 HN PHE 2 2.847 -5.025 5.577 7 HA PHE 2 HA PHE 2 1.170 -6.119 4.517 8 HB2 PHE 2 HB2 PHE 2 0.167 -3.346 3.857 9 HB3 PHE 2 HB1 PHE 2 -0.774 -4.831 3.787 10 HD1 PHE 2 HD1 PHE 2 0.623 -2.262 5.915 11 HD2 PHE 2 HD2 PHE 2 -1.425 -5.984 5.838 12 HE1 PHE 2 HE1 PHE 2 -0.039 -1.940 8.263 13 HE2 PHE 2 HE2 PHE 2 -2.094 -5.671 8.183 14 HZ PHE 2 HZ PHE 2 -1.396 -3.648 9.402 15 H GLY 3 HN GLY 3 3.589 -5.328 3.021 16 HA2 GLY 3 HA2 GLY 3 3.690 -6.442 0.738 17 HA3 GLY 3 HA1 GLY 3 2.468 -5.261 0.290 18 H CYS 4 HN CYS 4 3.492 -3.023 1.637 19 HA CYS 4 HA CYS 4 5.468 -2.151 -0.178 20 HB2 CYS 4 HB2 CYS 4 4.390 -0.960 2.370 21 HB3 CYS 4 HB1 CYS 4 5.495 -0.140 1.303 22 H ASN 5 HN ASN 5 5.810 -1.903 3.350 23 HA ASN 5 HA ASN 5 7.491 -2.415 4.784 24 HB2 ASN 5 HB2 ASN 5 8.020 -4.746 2.921 25 HB3 ASN 5 HB1 ASN 5 8.411 -4.634 4.633 26 HD21 ASN 5 HD21 ASN 5 6.805 -4.863 6.158 27 HD22 ASN 5 HD22 ASN 5 5.263 -5.545 5.778 28 H GLY 6 HN GLY 6 8.277 -0.580 2.748 29 HA2 GLY 6 HA2 GLY 6 10.406 0.485 2.747 30 HA3 GLY 6 HA1 GLY 6 11.161 -1.092 2.916 31 HA PRO 7 HA PRO 7 11.307 0.782 -1.507 32 HB2 PRO 7 HB2 PRO 7 14.059 0.227 -1.567 33 HB3 PRO 7 HB1 PRO 7 13.315 1.815 -1.362 34 HG2 PRO 7 HG2 PRO 7 14.435 -0.046 0.667 35 HG3 PRO 7 HG1 PRO 7 14.403 1.727 0.656 36 HD2 PRO 7 HD2 PRO 7 12.768 0.302 2.225 37 HD3 PRO 7 HD1 PRO 7 12.238 1.816 1.463 38 H TRP 8 HN TRP 8 12.941 -1.993 -0.058 39 HA TRP 8 HA TRP 8 13.659 -3.278 -2.442 40 HB2 TRP 8 HB2 TRP 8 13.116 -4.727 0.135 41 HB3 TRP 8 HB1 TRP 8 14.344 -5.058 -1.078 42 HD1 TRP 8 HD1 TRP 8 13.564 -2.661 1.790 43 HE1 TRP 8 HE1 TRP 8 15.766 -1.564 2.570 44 HE3 TRP 8 HE3 TRP 8 16.678 -4.457 -1.830 45 HZ2 TRP 8 HZ2 TRP 8 18.462 -1.478 1.745 46 HZ3 TRP 8 HZ3 TRP 8 19.052 -3.821 -1.771 47 HH2 TRP 8 HH2 TRP 8 19.925 -2.361 -0.022 48 H GLN 9 HN GLN 9 10.773 -3.456 -0.454 49 HA GLN 9 HA GLN 9 9.805 -5.731 -2.001 50 HB2 GLN 9 HB2 GLN 9 8.160 -4.490 0.154 51 HB3 GLN 9 HB1 GLN 9 8.352 -6.183 -0.276 52 HG2 GLN 9 HG2 GLN 9 10.821 -5.697 0.602 53 HG3 GLN 9 HG1 GLN 9 9.967 -4.489 1.536 54 HE21 GLN 9 HE21 GLN 9 10.489 -5.584 3.432 55 HE22 GLN 9 HE22 GLN 9 9.654 -7.022 3.907 56 H GLU 10 HN GLU 10 8.104 -2.875 -0.742 57 HA GLU 10 HA GLU 10 6.585 -1.459 -1.694 58 HB2 GLU 10 HB2 GLU 10 9.014 -0.958 -2.641 59 HB3 GLU 10 HB1 GLU 10 8.260 -1.407 -4.162 60 HG2 GLU 10 HG2 GLU 10 6.954 0.626 -2.418 61 HG3 GLU 10 HG1 GLU 10 8.346 1.081 -3.396 62 H ASP 11 HN ASP 11 5.417 -3.773 -1.893 63 HA ASP 11 HA ASP 11 4.917 -4.537 -4.640 64 HB2 ASP 11 HB2 ASP 11 5.041 -6.175 -2.702 65 HB3 ASP 11 HB1 ASP 11 3.472 -5.554 -2.195 66 H ASP 12 HN ASP 12 3.455 -3.676 -5.871 67 HA ASP 12 HA ASP 12 1.802 -1.558 -5.048 68 HB2 ASP 12 HB2 ASP 12 1.696 -3.189 -7.587 69 HB3 ASP 12 HB1 ASP 12 0.941 -1.626 -7.340 70 H LEU 13 HN LEU 13 0.984 -4.854 -6.139 71 HA LEU 13 HA LEU 13 -1.800 -4.341 -5.849 72 HB2 LEU 13 HB2 LEU 13 -0.735 -5.918 -7.503 73 HB3 LEU 13 HB1 LEU 13 -0.504 -7.031 -6.168 74 HG LEU 13 HG LEU 13 -2.947 -7.088 -5.798 75 HD11 LEU 13 HD11 LEU 13 -3.534 -4.902 -6.649 76 HD12 LEU 13 HD12 LEU 13 -4.430 -6.147 -7.519 77 HD13 LEU 13 HD13 LEU 13 -3.038 -5.372 -8.275 78 HD21 LEU 13 HD21 LEU 13 -1.877 -8.774 -7.207 79 HD22 LEU 13 HD22 LEU 13 -2.103 -7.743 -8.620 80 HD23 LEU 13 HD23 LEU 13 -3.505 -8.403 -7.776 81 H LYS 14 HN LYS 14 0.640 -5.928 -3.840 82 HA LYS 14 HA LYS 14 -1.167 -7.129 -2.033 83 HB2 LYS 14 HB2 LYS 14 1.696 -6.560 -2.101 84 HB3 LYS 14 HB1 LYS 14 1.026 -6.449 -0.482 85 HG2 LYS 14 HG2 LYS 14 0.718 -8.823 -2.308 86 HG3 LYS 14 HG1 LYS 14 1.919 -8.684 -1.024 87 HD2 LYS 14 HD2 LYS 14 -1.058 -8.494 -0.575 88 HD3 LYS 14 HD1 LYS 14 -0.131 -9.982 -0.401 89 HE2 LYS 14 HE2 LYS 14 0.459 -7.447 1.128 90 HE3 LYS 14 HE1 LYS 14 -0.566 -8.746 1.738 91 HZ1 LYS 14 HZ1 LYS 14 1.316 -10.255 1.554 92 HZ2 LYS 14 HZ2 LYS 14 1.685 -8.954 2.565 93 HZ3 LYS 14 HZ3 LYS 14 2.299 -9.000 0.991 94 H CYS 15 HN CYS 15 0.352 -3.917 -2.034 95 HA CYS 15 HA CYS 15 -0.821 -3.031 0.382 96 HB2 CYS 15 HB2 CYS 15 1.078 -1.888 -0.752 97 HB3 CYS 15 HB1 CYS 15 -0.019 -1.380 -2.030 98 H HIS 16 HN HIS 16 -1.816 -2.816 -2.999 99 HA HIS 16 HA HIS 16 -4.240 -1.481 -2.713 100 HB2 HIS 16 HB2 HIS 16 -3.231 -1.928 -4.876 101 HB3 HIS 16 HB1 HIS 16 -3.407 -3.660 -4.643 102 HD1 HIS 16 HD1 HIS 16 -5.227 -0.649 -5.783 103 HD2 HIS 16 HD2 HIS 16 -6.040 -4.636 -4.987 104 HE1 HIS 16 HE1 HIS 16 -7.493 -1.080 -6.762 105 HE2 HIS 16 HE2 HIS 16 -7.837 -3.562 -6.505 106 H ASN 17 HN ASN 17 -3.672 -4.977 -2.811 107 HA ASN 17 HA ASN 17 -6.247 -5.856 -2.259 108 HB2 ASN 17 HB2 ASN 17 -3.531 -7.070 -1.875 109 HB3 ASN 17 HB1 ASN 17 -4.971 -7.930 -1.351 110 HD21 ASN 17 HD21 ASN 17 -3.035 -8.583 -3.412 111 HD22 ASN 17 HD22 ASN 17 -3.930 -8.744 -4.879 112 H HIS 18 HN HIS 18 -3.683 -4.886 -0.058 113 HA HIS 18 HA HIS 18 -4.826 -5.765 2.337 114 HB2 HIS 18 HB2 HIS 18 -2.621 -5.065 2.555 115 HB3 HIS 18 HB1 HIS 18 -2.875 -3.621 1.584 116 HD1 HIS 18 HD1 HIS 18 -3.988 -4.924 4.996 117 HD2 HIS 18 HD2 HIS 18 -2.989 -1.386 3.058 118 HE1 HIS 18 HE1 HIS 18 -4.140 -3.129 6.750 119 HE2 HIS 18 HE2 HIS 18 -3.452 -1.002 5.577 120 H CYS 19 HN CYS 19 -5.111 -2.657 0.655 121 HA CYS 19 HA CYS 19 -6.862 -1.505 2.556 122 HB2 CYS 19 HB2 CYS 19 -6.538 -0.757 -0.352 123 HB3 CYS 19 HB1 CYS 19 -7.153 0.269 0.939 124 H LYS 20 HN LYS 20 -7.354 -3.524 -0.244 125 HA LYS 20 HA LYS 20 -10.040 -3.102 -0.802 126 HB2 LYS 20 HB2 LYS 20 -8.583 -5.749 -0.811 127 HB3 LYS 20 HB1 LYS 20 -10.092 -5.406 -1.641 128 HG2 LYS 20 HG2 LYS 20 -7.543 -3.936 -2.210 129 HG3 LYS 20 HG1 LYS 20 -8.010 -5.412 -3.051 130 HD2 LYS 20 HD2 LYS 20 -9.875 -3.076 -2.933 131 HD3 LYS 20 HD1 LYS 20 -8.547 -3.107 -4.097 132 HE2 LYS 20 HE2 LYS 20 -10.533 -3.951 -5.158 133 HE3 LYS 20 HE1 LYS 20 -9.390 -5.271 -4.943 134 HZ1 LYS 20 HZ1 LYS 20 -11.686 -4.744 -3.136 135 HZ2 LYS 20 HZ2 LYS 20 -10.659 -6.091 -3.115 136 HZ3 LYS 20 HZ3 LYS 20 -11.712 -5.853 -4.411 137 H SER 21 HN SER 21 -8.533 -4.936 1.776 138 HA SER 21 HA SER 21 -11.039 -6.126 2.604 139 HB2 SER 21 HB2 SER 21 -8.301 -6.299 3.882 140 HB3 SER 21 HB1 SER 21 -9.693 -7.323 4.239 141 HG SER 21 HG SER 21 -7.907 -7.941 2.577 142 H ILE 22 HN ILE 22 -9.672 -3.147 3.086 143 HA ILE 22 HA ILE 22 -10.556 -2.941 5.870 144 HB ILE 22 HB ILE 22 -9.198 -0.825 4.212 145 HG12 ILE 22 HG12 ILE 22 -8.002 -2.733 6.226 146 HG13 ILE 22 HG11 ILE 22 -7.707 -2.764 4.491 147 HG21 ILE 22 HG21 ILE 22 -8.661 0.108 6.483 148 HG22 ILE 22 HG22 ILE 22 -9.817 -1.052 7.140 149 HG23 ILE 22 HG23 ILE 22 -10.355 0.185 6.002 150 HD11 ILE 22 HD11 ILE 22 -6.655 -0.576 4.634 151 HD12 ILE 22 HD12 ILE 22 -5.865 -1.741 5.698 152 HD13 ILE 22 HD13 ILE 22 -6.968 -0.538 6.369 153 H LYS 23 HN LYS 23 -12.164 -1.704 6.513 154 HA LYS 23 HA LYS 23 -14.518 -1.500 6.035 155 HB2 LYS 23 HB2 LYS 23 -14.605 1.152 5.911 156 HB3 LYS 23 HB1 LYS 23 -14.179 0.277 7.374 157 HG2 LYS 23 HG2 LYS 23 -11.842 0.636 6.959 158 HG3 LYS 23 HG1 LYS 23 -12.192 1.388 5.402 159 HD2 LYS 23 HD2 LYS 23 -11.715 3.083 7.051 160 HD3 LYS 23 HD1 LYS 23 -13.413 3.176 6.580 161 HE2 LYS 23 HE2 LYS 23 -14.038 1.954 8.603 162 HE3 LYS 23 HE1 LYS 23 -12.341 1.850 9.069 163 HZ1 LYS 23 HZ1 LYS 23 -13.918 4.351 8.772 164 HZ2 LYS 23 HZ2 LYS 23 -12.279 4.276 9.178 165 HZ3 LYS 23 HZ3 LYS 23 -13.439 3.643 10.232 166 H GLY 24 HN GLY 24 -13.763 1.338 4.172 167 HA2 GLY 24 HA2 GLY 24 -15.222 0.109 1.917 168 HA3 GLY 24 HA1 GLY 24 -15.485 1.764 2.444 169 H TYR 25 HN TYR 25 -12.287 0.448 2.404 170 HA TYR 25 HA TYR 25 -11.328 2.488 0.675 171 HB2 TYR 25 HB2 TYR 25 -10.031 -0.072 1.616 172 HB3 TYR 25 HB1 TYR 25 -9.197 1.181 0.710 173 HD1 TYR 25 HD1 TYR 25 -11.420 2.872 2.709 174 HD2 TYR 25 HD2 TYR 25 -7.795 0.674 3.013 175 HE1 TYR 25 HE1 TYR 25 -10.907 4.028 4.810 176 HE2 TYR 25 HE2 TYR 25 -7.270 1.824 5.119 177 HH TYR 25 HH TYR 25 -7.911 4.055 6.215 178 H LYS 26 HN LYS 26 -10.379 2.277 -1.395 179 HA LYS 26 HA LYS 26 -11.740 0.262 -3.050 180 HB2 LYS 26 HB2 LYS 26 -12.270 2.572 -3.605 181 HB3 LYS 26 HB1 LYS 26 -10.554 2.957 -3.728 182 HG2 LYS 26 HG2 LYS 26 -10.313 1.666 -5.697 183 HG3 LYS 26 HG1 LYS 26 -11.905 0.933 -5.499 184 HD2 LYS 26 HD2 LYS 26 -11.875 2.676 -7.243 185 HD3 LYS 26 HD1 LYS 26 -12.974 3.065 -5.919 186 HE2 LYS 26 HE2 LYS 26 -11.329 4.567 -4.964 187 HE3 LYS 26 HE1 LYS 26 -10.170 4.128 -6.216 188 HZ1 LYS 26 HZ1 LYS 26 -12.786 5.420 -6.750 189 HZ2 LYS 26 HZ2 LYS 26 -11.548 5.131 -7.867 190 HZ3 LYS 26 HZ3 LYS 26 -11.321 6.253 -6.624 191 H GLY 27 HN GLY 27 -8.623 1.904 -2.615 192 HA2 GLY 27 HA2 GLY 27 -7.263 -0.516 -3.503 193 HA3 GLY 27 HA1 GLY 27 -7.020 0.908 -4.505 194 H GLY 28 HN GLY 28 -4.758 0.116 -3.662 195 HA2 GLY 28 HA2 GLY 28 -4.008 1.987 -1.578 196 HA3 GLY 28 HA1 GLY 28 -3.782 0.296 -1.164 197 H TYR 29 HN TYR 29 -1.798 2.398 -1.440 198 HA TYR 29 HA TYR 29 0.056 1.017 -3.147 199 HB2 TYR 29 HB2 TYR 29 0.573 2.850 -4.634 200 HB3 TYR 29 HB1 TYR 29 -1.136 2.475 -4.769 201 HD1 TYR 29 HD1 TYR 29 1.195 5.055 -4.495 202 HD2 TYR 29 HD2 TYR 29 -2.688 3.950 -3.159 203 HE1 TYR 29 HE1 TYR 29 0.666 7.421 -4.095 204 HE2 TYR 29 HE2 TYR 29 -3.228 6.313 -2.752 205 HH TYR 29 HH TYR 29 -1.280 8.863 -3.926 206 H CYS 30 HN CYS 30 2.205 1.647 -2.797 207 HA CYS 30 HA CYS 30 2.732 2.640 -0.184 208 HB2 CYS 30 HB2 CYS 30 4.738 2.265 -2.411 209 HB3 CYS 30 HB1 CYS 30 5.039 2.250 -0.681 210 H ALA 31 HN ALA 31 2.743 4.717 0.381 211 HA ALA 31 HA ALA 31 2.620 6.745 -1.659 212 HB1 ALA 31 HB1 ALA 31 2.187 8.280 0.163 213 HB2 ALA 31 HB2 ALA 31 2.636 7.044 1.338 214 HB3 ALA 31 HB3 ALA 31 1.199 6.830 0.337 215 H LYS 32 HN LYS 32 4.948 5.765 0.803 216 HA LYS 32 HA LYS 32 6.845 7.698 -0.340 217 HB2 LYS 32 HB2 LYS 32 6.587 6.990 2.588 218 HB3 LYS 32 HB1 LYS 32 7.766 8.093 1.895 219 HG2 LYS 32 HG2 LYS 32 4.782 8.498 1.862 220 HG3 LYS 32 HG1 LYS 32 5.908 9.264 2.983 221 HD2 LYS 32 HD2 LYS 32 7.035 10.354 1.108 222 HD3 LYS 32 HD1 LYS 32 5.930 9.569 -0.020 223 HE2 LYS 32 HE2 LYS 32 4.046 10.730 0.997 224 HE3 LYS 32 HE1 LYS 32 5.127 11.491 2.161 225 HZ1 LYS 32 HZ1 LYS 32 6.237 12.625 0.351 226 HZ2 LYS 32 HZ2 LYS 32 4.581 12.968 0.321 227 HZ3 LYS 32 HZ3 LYS 32 5.232 11.869 -0.782 228 H GLY 33 HN GLY 33 7.321 5.640 -1.594 229 HA2 GLY 33 HA2 GLY 33 9.018 4.185 -2.120 230 HA3 GLY 33 HA1 GLY 33 9.892 4.842 -0.748 231 H GLY 34 HN GLY 34 6.786 3.224 -0.551 232 HA2 GLY 34 HA2 GLY 34 6.244 1.071 0.102 233 HA3 GLY 34 HA1 GLY 34 7.946 0.674 0.130 234 H PHE 35 HN PHE 35 7.713 3.398 1.950 235 HA PHE 35 HA PHE 35 7.897 1.846 4.378 236 HB2 PHE 35 HB2 PHE 35 8.211 4.766 3.719 237 HB3 PHE 35 HB1 PHE 35 8.143 4.225 5.390 238 HD1 PHE 35 HD1 PHE 35 10.137 4.456 2.390 239 HD2 PHE 35 HD2 PHE 35 9.900 2.698 6.256 240 HE1 PHE 35 HE1 PHE 35 12.540 3.930 2.294 241 HE2 PHE 35 HE2 PHE 35 12.299 2.169 6.167 242 HZ PHE 35 HZ PHE 35 13.624 2.789 4.199 243 H VAL 36 HN VAL 36 5.365 3.191 2.668 244 HA VAL 36 HA VAL 36 3.588 2.814 4.916 245 HB VAL 36 HB VAL 36 3.943 5.095 5.304 246 HG11 VAL 36 HG11 VAL 36 3.898 6.817 3.560 247 HG12 VAL 36 HG12 VAL 36 3.717 5.554 2.344 248 HG13 VAL 36 HG13 VAL 36 5.188 5.636 3.317 249 HG21 VAL 36 HG21 VAL 36 1.571 4.540 5.258 250 HG22 VAL 36 HG22 VAL 36 1.504 4.932 3.539 251 HG23 VAL 36 HG23 VAL 36 1.837 6.199 4.720 252 H CYS 37 HN CYS 37 1.753 1.924 4.325 253 HA CYS 37 HA CYS 37 1.191 1.594 1.470 254 HB2 CYS 37 HB2 CYS 37 1.466 -0.467 2.789 255 HB3 CYS 37 HB1 CYS 37 0.205 0.058 3.895 256 H LYS 38 HN LYS 38 0.101 3.437 0.988 257 HA LYS 38 HA LYS 38 -1.977 4.469 2.708 258 HB2 LYS 38 HB2 LYS 38 -0.495 5.997 1.472 259 HB3 LYS 38 HB1 LYS 38 -1.084 5.340 -0.049 260 HG2 LYS 38 HG2 LYS 38 -3.395 6.094 0.720 261 HG3 LYS 38 HG1 LYS 38 -2.543 7.036 1.943 262 HD2 LYS 38 HD2 LYS 38 -1.369 8.265 0.264 263 HD3 LYS 38 HD1 LYS 38 -1.986 7.198 -0.997 264 HE2 LYS 38 HE2 LYS 38 -4.247 7.976 -0.586 265 HE3 LYS 38 HE1 LYS 38 -3.672 9.011 0.719 266 HZ1 LYS 38 HZ1 LYS 38 -2.419 10.295 -0.848 267 HZ2 LYS 38 HZ2 LYS 38 -4.020 10.204 -1.386 268 HZ3 LYS 38 HZ3 LYS 38 -2.827 9.249 -2.116 269 H CYS 39 HN CYS 39 -4.135 4.998 1.734 270 HA CYS 39 HA CYS 39 -5.072 3.006 -0.181 271 HB2 CYS 39 HB2 CYS 39 -6.394 3.393 2.507 272 HB3 CYS 39 HB1 CYS 39 -6.873 2.265 1.250 273 H TYR 40 HN TYR 40 -7.162 3.535 -1.074 274 HA TYR 40 HA TYR 40 -8.240 6.150 -0.377 275 HB2 TYR 40 HB2 TYR 40 -8.444 6.685 -2.836 276 HB3 TYR 40 HB1 TYR 40 -6.814 6.760 -2.188 277 HD1 TYR 40 HD1 TYR 40 -5.089 5.337 -3.041 278 HD2 TYR 40 HD2 TYR 40 -9.124 4.767 -4.265 279 HE1 TYR 40 HE1 TYR 40 -4.337 3.784 -4.788 280 HE2 TYR 40 HE2 TYR 40 -8.378 3.216 -6.021 281 HH TYR 40 HH TYR 40 -5.268 1.903 -6.103 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 5.895 -3.131 7.718 2 H2 GLY 1 HT2 GLY 1 5.574 -4.542 6.853 3 H3 GLY 1 HT3 GLY 1 4.501 -4.024 8.055 4 HA2 GLY 1 HA1 GLY 1 4.055 -2.000 6.746 5 HA3 GLY 1 HA2 GLY 1 5.047 -2.682 5.467 6 H PHE 2 HN PHE 2 2.447 -1.963 5.062 7 HA PHE 2 HA PHE 2 0.825 -4.378 5.191 8 HB2 PHE 2 HB2 PHE 2 0.205 -1.632 4.130 9 HB3 PHE 2 HB1 PHE 2 -0.959 -2.920 4.338 10 HD1 PHE 2 HD1 PHE 2 0.391 -0.036 5.769 11 HD2 PHE 2 HD2 PHE 2 -1.097 -3.891 6.767 12 HE1 PHE 2 HE1 PHE 2 -0.074 0.740 8.053 13 HE2 PHE 2 HE2 PHE 2 -1.566 -3.122 9.047 14 HZ PHE 2 HZ PHE 2 -1.055 -0.805 9.701 15 H GLY 3 HN GLY 3 2.467 -5.390 3.700 16 HA2 GLY 3 HA2 GLY 3 2.292 -6.425 1.537 17 HA3 GLY 3 HA1 GLY 3 1.627 -4.918 0.917 18 H CYS 4 HN CYS 4 3.279 -3.002 1.527 19 HA CYS 4 HA CYS 4 5.863 -3.881 0.504 20 HB2 CYS 4 HB2 CYS 4 6.215 -1.397 0.090 21 HB3 CYS 4 HB1 CYS 4 5.037 -2.212 -0.923 22 H ASN 5 HN ASN 5 7.532 -3.932 1.739 23 HA ASN 5 HA ASN 5 7.392 -2.756 4.434 24 HB2 ASN 5 HB2 ASN 5 8.649 -5.250 3.336 25 HB3 ASN 5 HB1 ASN 5 9.261 -4.549 4.820 26 HD21 ASN 5 HD21 ASN 5 6.676 -6.228 3.305 27 HD22 ASN 5 HD22 ASN 5 5.799 -6.584 4.746 28 H GLY 6 HN GLY 6 8.350 -1.511 1.889 29 HA2 GLY 6 HA2 GLY 6 10.262 0.164 2.330 30 HA3 GLY 6 HA1 GLY 6 11.239 -1.299 2.382 31 HA PRO 7 HA PRO 7 10.851 0.651 -1.999 32 HB2 PRO 7 HB2 PRO 7 13.635 0.213 -2.291 33 HB3 PRO 7 HB1 PRO 7 12.811 1.765 -2.113 34 HG2 PRO 7 HG2 PRO 7 14.251 0.137 -0.109 35 HG3 PRO 7 HG1 PRO 7 13.984 1.887 -0.159 36 HD2 PRO 7 HD2 PRO 7 12.689 0.271 1.567 37 HD3 PRO 7 HD1 PRO 7 11.942 1.731 0.889 38 H TRP 8 HN TRP 8 13.008 -1.932 -0.878 39 HA TRP 8 HA TRP 8 12.911 -3.337 -3.376 40 HB2 TRP 8 HB2 TRP 8 13.886 -4.800 -1.018 41 HB3 TRP 8 HB1 TRP 8 14.689 -4.474 -2.550 42 HD1 TRP 8 HD1 TRP 8 14.063 -2.871 0.881 43 HE1 TRP 8 HE1 TRP 8 15.888 -1.108 1.313 44 HE3 TRP 8 HE3 TRP 8 16.390 -2.986 -3.665 45 HZ2 TRP 8 HZ2 TRP 8 18.030 0.076 -0.091 46 HZ3 TRP 8 HZ3 TRP 8 18.319 -1.505 -4.041 47 HH2 TRP 8 HH2 TRP 8 19.122 -0.006 -2.289 48 H GLN 9 HN GLN 9 10.982 -3.207 -0.610 49 HA GLN 9 HA GLN 9 9.901 -5.913 -0.958 50 HB2 GLN 9 HB2 GLN 9 9.164 -3.892 1.145 51 HB3 GLN 9 HB1 GLN 9 8.901 -5.629 1.188 52 HG2 GLN 9 HG2 GLN 9 11.578 -4.272 1.295 53 HG3 GLN 9 HG1 GLN 9 10.707 -4.893 2.681 54 HE21 GLN 9 HE21 GLN 9 10.509 -7.115 2.962 55 HE22 GLN 9 HE22 GLN 9 11.542 -8.231 2.145 56 H GLU 10 HN GLU 10 9.436 -2.863 -2.027 57 HA GLU 10 HA GLU 10 6.802 -2.196 -1.782 58 HB2 GLU 10 HB2 GLU 10 8.803 -0.943 -2.798 59 HB3 GLU 10 HB1 GLU 10 8.369 -1.737 -4.303 60 HG2 GLU 10 HG2 GLU 10 6.327 -0.206 -2.788 61 HG3 GLU 10 HG1 GLU 10 7.507 0.643 -3.780 62 H ASP 11 HN ASP 11 5.226 -3.655 -2.053 63 HA ASP 11 HA ASP 11 4.876 -4.743 -4.763 64 HB2 ASP 11 HB2 ASP 11 5.252 -6.496 -2.977 65 HB3 ASP 11 HB1 ASP 11 3.755 -5.954 -2.225 66 H ASP 12 HN ASP 12 3.479 -3.467 -5.713 67 HA ASP 12 HA ASP 12 1.845 -1.621 -4.383 68 HB2 ASP 12 HB2 ASP 12 2.707 -1.313 -6.673 69 HB3 ASP 12 HB1 ASP 12 1.638 -2.588 -7.237 70 H LEU 13 HN LEU 13 1.020 -4.686 -5.994 71 HA LEU 13 HA LEU 13 -1.759 -4.342 -5.630 72 HB2 LEU 13 HB2 LEU 13 -0.648 -5.869 -7.296 73 HB3 LEU 13 HB1 LEU 13 -0.361 -6.981 -5.970 74 HG LEU 13 HG LEU 13 -2.800 -7.133 -5.580 75 HD11 LEU 13 HD11 LEU 13 -4.337 -6.246 -7.273 76 HD12 LEU 13 HD12 LEU 13 -2.989 -5.406 -8.039 77 HD13 LEU 13 HD13 LEU 13 -3.484 -4.971 -6.403 78 HD21 LEU 13 HD21 LEU 13 -3.334 -8.418 -7.613 79 HD22 LEU 13 HD22 LEU 13 -1.734 -8.794 -6.980 80 HD23 LEU 13 HD23 LEU 13 -1.898 -7.753 -8.392 81 H LYS 14 HN LYS 14 0.713 -5.976 -3.674 82 HA LYS 14 HA LYS 14 -1.063 -7.134 -1.814 83 HB2 LYS 14 HB2 LYS 14 1.815 -6.306 -1.721 84 HB3 LYS 14 HB1 LYS 14 1.013 -6.776 -0.232 85 HG2 LYS 14 HG2 LYS 14 1.004 -8.523 -2.670 86 HG3 LYS 14 HG1 LYS 14 2.301 -8.573 -1.479 87 HD2 LYS 14 HD2 LYS 14 -0.611 -8.954 -0.800 88 HD3 LYS 14 HD1 LYS 14 0.495 -10.284 -1.148 89 HE2 LYS 14 HE2 LYS 14 0.862 -8.248 1.053 90 HE3 LYS 14 HE1 LYS 14 0.212 -9.872 1.273 91 HZ1 LYS 14 HZ1 LYS 14 2.577 -9.728 1.820 92 HZ2 LYS 14 HZ2 LYS 14 2.924 -9.255 0.235 93 HZ3 LYS 14 HZ3 LYS 14 2.298 -10.793 0.538 94 H CYS 15 HN CYS 15 0.497 -3.945 -1.874 95 HA CYS 15 HA CYS 15 -0.643 -2.976 0.523 96 HB2 CYS 15 HB2 CYS 15 1.219 -1.817 -0.494 97 HB3 CYS 15 HB1 CYS 15 0.301 -1.541 -1.968 98 H HIS 16 HN HIS 16 -1.647 -2.753 -2.858 99 HA HIS 16 HA HIS 16 -4.032 -1.372 -2.590 100 HB2 HIS 16 HB2 HIS 16 -3.026 -1.898 -4.743 101 HB3 HIS 16 HB1 HIS 16 -3.275 -3.615 -4.475 102 HD1 HIS 16 HD1 HIS 16 -5.025 -0.515 -5.554 103 HD2 HIS 16 HD2 HIS 16 -5.861 -4.533 -4.962 104 HE1 HIS 16 HE1 HIS 16 -7.291 -0.884 -6.569 105 HE2 HIS 16 HE2 HIS 16 -7.621 -3.377 -6.465 106 H ASN 17 HN ASN 17 -3.497 -4.866 -2.506 107 HA ASN 17 HA ASN 17 -6.123 -5.666 -1.992 108 HB2 ASN 17 HB2 ASN 17 -3.442 -6.947 -1.625 109 HB3 ASN 17 HB1 ASN 17 -4.884 -7.753 -1.023 110 HD21 ASN 17 HD21 ASN 17 -3.007 -8.447 -3.187 111 HD22 ASN 17 HD22 ASN 17 -3.987 -8.645 -4.591 112 H HIS 18 HN HIS 18 -3.567 -4.668 0.234 113 HA HIS 18 HA HIS 18 -4.770 -5.535 2.613 114 HB2 HIS 18 HB2 HIS 18 -2.590 -4.794 2.940 115 HB3 HIS 18 HB1 HIS 18 -2.807 -3.364 1.938 116 HD1 HIS 18 HD1 HIS 18 -3.999 -4.657 5.323 117 HD2 HIS 18 HD2 HIS 18 -3.174 -1.102 3.339 118 HE1 HIS 18 HE1 HIS 18 -4.344 -2.840 7.029 119 HE2 HIS 18 HE2 HIS 18 -3.824 -0.692 5.818 120 H CYS 19 HN CYS 19 -5.143 -2.555 0.769 121 HA CYS 19 HA CYS 19 -6.949 -1.377 2.645 122 HB2 CYS 19 HB2 CYS 19 -6.430 -0.621 -0.232 123 HB3 CYS 19 HB1 CYS 19 -7.164 0.395 1.008 124 H LYS 20 HN LYS 20 -7.294 -3.648 0.116 125 HA LYS 20 HA LYS 20 -10.002 -3.088 -0.571 126 HB2 LYS 20 HB2 LYS 20 -8.549 -5.726 -0.796 127 HB3 LYS 20 HB1 LYS 20 -10.008 -5.253 -1.653 128 HG2 LYS 20 HG2 LYS 20 -7.376 -3.856 -1.946 129 HG3 LYS 20 HG1 LYS 20 -7.902 -5.172 -2.994 130 HD2 LYS 20 HD2 LYS 20 -9.596 -2.728 -2.613 131 HD3 LYS 20 HD1 LYS 20 -8.241 -2.721 -3.744 132 HE2 LYS 20 HE2 LYS 20 -10.163 -3.266 -5.006 133 HE3 LYS 20 HE1 LYS 20 -9.252 -4.758 -4.808 134 HZ1 LYS 20 HZ1 LYS 20 -10.782 -5.472 -3.123 135 HZ2 LYS 20 HZ2 LYS 20 -11.658 -5.027 -4.496 136 HZ3 LYS 20 HZ3 LYS 20 -11.603 -3.993 -3.164 137 H SER 21 HN SER 21 -8.381 -5.097 1.788 138 HA SER 21 HA SER 21 -10.751 -6.433 2.681 139 HB2 SER 21 HB2 SER 21 -8.028 -6.249 3.990 140 HB3 SER 21 HB1 SER 21 -9.290 -7.425 4.364 141 HG SER 21 HG SER 21 -9.106 -8.075 2.102 142 H ILE 22 HN ILE 22 -9.473 -3.362 3.226 143 HA ILE 22 HA ILE 22 -10.616 -3.092 5.895 144 HB ILE 22 HB ILE 22 -9.459 -0.909 4.172 145 HG12 ILE 22 HG12 ILE 22 -8.046 -2.459 6.332 146 HG13 ILE 22 HG11 ILE 22 -7.776 -2.703 4.608 147 HG21 ILE 22 HG21 ILE 22 -10.809 -0.059 5.918 148 HG22 ILE 22 HG22 ILE 22 -9.123 0.180 6.385 149 HG23 ILE 22 HG23 ILE 22 -10.062 -1.129 7.104 150 HD11 ILE 22 HD11 ILE 22 -7.071 -0.359 4.426 151 HD12 ILE 22 HD12 ILE 22 -6.055 -1.293 5.526 152 HD13 ILE 22 HD13 ILE 22 -7.272 -0.187 6.168 153 H LYS 23 HN LYS 23 -12.395 -1.881 6.361 154 HA LYS 23 HA LYS 23 -14.709 -1.884 5.779 155 HB2 LYS 23 HB2 LYS 23 -14.927 0.694 5.015 156 HB3 LYS 23 HB1 LYS 23 -14.684 0.170 6.674 157 HG2 LYS 23 HG2 LYS 23 -12.355 0.601 6.542 158 HG3 LYS 23 HG1 LYS 23 -12.446 0.898 4.806 159 HD2 LYS 23 HD2 LYS 23 -12.272 2.988 6.010 160 HD3 LYS 23 HD1 LYS 23 -13.858 2.866 5.251 161 HE2 LYS 23 HE2 LYS 23 -14.873 2.271 7.352 162 HE3 LYS 23 HE1 LYS 23 -13.296 2.192 8.135 163 HZ1 LYS 23 HZ1 LYS 23 -14.523 4.640 6.991 164 HZ2 LYS 23 HZ2 LYS 23 -13.029 4.557 7.773 165 HZ3 LYS 23 HZ3 LYS 23 -14.450 4.258 8.634 166 H GLY 24 HN GLY 24 -13.924 0.486 3.351 167 HA2 GLY 24 HA2 GLY 24 -14.249 -1.412 1.225 168 HA3 GLY 24 HA1 GLY 24 -15.590 -0.281 1.375 169 H TYR 25 HN TYR 25 -12.103 0.145 1.823 170 HA TYR 25 HA TYR 25 -11.902 2.493 0.294 171 HB2 TYR 25 HB2 TYR 25 -9.851 0.376 0.920 172 HB3 TYR 25 HB1 TYR 25 -9.457 1.851 0.047 173 HD1 TYR 25 HD1 TYR 25 -9.255 3.938 1.175 174 HD2 TYR 25 HD2 TYR 25 -10.553 0.470 3.265 175 HE1 TYR 25 HE1 TYR 25 -8.882 5.103 3.307 176 HE2 TYR 25 HE2 TYR 25 -10.168 1.625 5.412 177 HH TYR 25 HH TYR 25 -9.692 4.963 5.650 178 H LYS 26 HN LYS 26 -10.547 2.687 -1.711 179 HA LYS 26 HA LYS 26 -11.683 0.983 -3.779 180 HB2 LYS 26 HB2 LYS 26 -11.821 3.306 -4.249 181 HB3 LYS 26 HB1 LYS 26 -10.152 3.578 -3.758 182 HG2 LYS 26 HG2 LYS 26 -9.370 2.366 -5.722 183 HG3 LYS 26 HG1 LYS 26 -11.041 2.071 -6.208 184 HD2 LYS 26 HD2 LYS 26 -11.437 4.374 -6.589 185 HD3 LYS 26 HD1 LYS 26 -9.937 4.837 -5.782 186 HE2 LYS 26 HE2 LYS 26 -8.636 3.823 -7.544 187 HE3 LYS 26 HE1 LYS 26 -10.101 3.238 -8.333 188 HZ1 LYS 26 HZ1 LYS 26 -9.306 5.220 -9.412 189 HZ2 LYS 26 HZ2 LYS 26 -9.323 6.077 -7.954 190 HZ3 LYS 26 HZ3 LYS 26 -10.775 5.556 -8.643 191 H GLY 27 HN GLY 27 -8.532 2.084 -2.611 192 HA2 GLY 27 HA2 GLY 27 -7.300 -0.429 -3.164 193 HA3 GLY 27 HA1 GLY 27 -6.859 0.776 -4.366 194 H GLY 28 HN GLY 28 -4.710 0.135 -3.317 195 HA2 GLY 28 HA2 GLY 28 -4.114 2.197 -1.329 196 HA3 GLY 28 HA1 GLY 28 -3.688 0.537 -0.939 197 H TYR 29 HN TYR 29 -1.890 2.740 -1.172 198 HA TYR 29 HA TYR 29 -0.042 1.537 -3.050 199 HB2 TYR 29 HB2 TYR 29 0.428 3.494 -4.318 200 HB3 TYR 29 HB1 TYR 29 -1.314 3.293 -4.347 201 HD1 TYR 29 HD1 TYR 29 1.223 5.609 -4.009 202 HD2 TYR 29 HD2 TYR 29 -2.540 4.603 -2.308 203 HE1 TYR 29 HE1 TYR 29 0.983 7.912 -3.203 204 HE2 TYR 29 HE2 TYR 29 -2.795 6.906 -1.490 205 HH TYR 29 HH TYR 29 -1.443 8.849 -0.974 206 H CYS 30 HN CYS 30 2.112 2.100 -2.632 207 HA CYS 30 HA CYS 30 2.554 2.855 0.117 208 HB2 CYS 30 HB2 CYS 30 4.716 2.332 -1.917 209 HB3 CYS 30 HB1 CYS 30 4.755 2.080 -0.173 210 H ALA 31 HN ALA 31 2.738 4.896 0.726 211 HA ALA 31 HA ALA 31 2.755 6.957 -1.259 212 HB1 ALA 31 HB1 ALA 31 2.464 8.482 0.597 213 HB2 ALA 31 HB2 ALA 31 2.885 7.209 1.739 214 HB3 ALA 31 HB3 ALA 31 1.404 7.085 0.790 215 H LYS 32 HN LYS 32 5.087 5.801 1.127 216 HA LYS 32 HA LYS 32 6.999 7.765 0.059 217 HB2 LYS 32 HB2 LYS 32 6.815 6.719 2.885 218 HB3 LYS 32 HB1 LYS 32 8.057 7.807 2.285 219 HG2 LYS 32 HG2 LYS 32 5.110 8.399 2.462 220 HG3 LYS 32 HG1 LYS 32 6.373 9.024 3.524 221 HD2 LYS 32 HD2 LYS 32 7.420 10.128 1.584 222 HD3 LYS 32 HD1 LYS 32 6.105 9.545 0.563 223 HE2 LYS 32 HE2 LYS 32 5.704 11.845 1.211 224 HE3 LYS 32 HE1 LYS 32 4.502 10.786 1.948 225 HZ1 LYS 32 HZ1 LYS 32 5.337 12.430 3.510 226 HZ2 LYS 32 HZ2 LYS 32 6.915 11.855 3.309 227 HZ3 LYS 32 HZ3 LYS 32 5.736 10.865 4.013 228 H GLY 33 HN GLY 33 7.335 5.812 -1.457 229 HA2 GLY 33 HA2 GLY 33 9.188 4.688 -2.250 230 HA3 GLY 33 HA1 GLY 33 9.986 5.002 -0.719 231 H GLY 34 HN GLY 34 6.929 3.328 -1.188 232 HA2 GLY 34 HA2 GLY 34 6.394 1.092 -0.990 233 HA3 GLY 34 HA1 GLY 34 8.109 0.725 -0.990 234 H PHE 35 HN PHE 35 7.343 3.032 1.353 235 HA PHE 35 HA PHE 35 7.706 1.025 3.419 236 HB2 PHE 35 HB2 PHE 35 7.849 4.017 3.377 237 HB3 PHE 35 HB1 PHE 35 7.744 3.150 4.904 238 HD1 PHE 35 HD1 PHE 35 9.919 4.412 2.439 239 HD2 PHE 35 HD2 PHE 35 9.480 1.231 5.227 240 HE1 PHE 35 HE1 PHE 35 12.346 4.032 2.379 241 HE2 PHE 35 HE2 PHE 35 11.908 0.845 5.176 242 HZ PHE 35 HZ PHE 35 13.344 2.247 3.749 243 H VAL 36 HN VAL 36 5.494 3.799 3.028 244 HA VAL 36 HA VAL 36 3.658 2.459 4.867 245 HB VAL 36 HB VAL 36 4.169 4.634 5.608 246 HG11 VAL 36 HG11 VAL 36 5.079 5.579 3.590 247 HG12 VAL 36 HG12 VAL 36 3.840 6.655 4.241 248 HG13 VAL 36 HG13 VAL 36 3.475 5.625 2.856 249 HG21 VAL 36 HG21 VAL 36 2.005 5.781 5.585 250 HG22 VAL 36 HG22 VAL 36 1.826 4.049 5.858 251 HG23 VAL 36 HG23 VAL 36 1.472 4.732 4.271 252 H CYS 37 HN CYS 37 1.843 1.611 4.233 253 HA CYS 37 HA CYS 37 0.981 1.851 1.472 254 HB2 CYS 37 HB2 CYS 37 1.190 -0.379 2.540 255 HB3 CYS 37 HB1 CYS 37 -0.019 0.104 3.723 256 H LYS 38 HN LYS 38 -0.034 3.776 1.302 257 HA LYS 38 HA LYS 38 -2.130 4.510 3.184 258 HB2 LYS 38 HB2 LYS 38 -0.437 6.158 2.217 259 HB3 LYS 38 HB1 LYS 38 -1.294 6.008 0.700 260 HG2 LYS 38 HG2 LYS 38 -2.894 6.691 3.087 261 HG3 LYS 38 HG1 LYS 38 -1.800 7.926 2.462 262 HD2 LYS 38 HD2 LYS 38 -2.803 7.709 0.269 263 HD3 LYS 38 HD1 LYS 38 -3.894 6.462 0.866 264 HE2 LYS 38 HE2 LYS 38 -3.804 9.325 1.817 265 HE3 LYS 38 HE1 LYS 38 -4.999 8.644 0.712 266 HZ1 LYS 38 HZ1 LYS 38 -4.579 7.854 3.545 267 HZ2 LYS 38 HZ2 LYS 38 -5.670 7.116 2.484 268 HZ3 LYS 38 HZ3 LYS 38 -5.888 8.731 2.926 269 H CYS 39 HN CYS 39 -4.292 4.806 2.545 270 HA CYS 39 HA CYS 39 -5.044 3.195 0.195 271 HB2 CYS 39 HB2 CYS 39 -6.614 3.443 2.762 272 HB3 CYS 39 HB1 CYS 39 -6.944 2.363 1.417 273 H TYR 40 HN TYR 40 -7.010 3.776 -0.871 274 HA TYR 40 HA TYR 40 -8.060 6.428 -0.252 275 HB2 TYR 40 HB2 TYR 40 -7.994 6.912 -2.767 276 HB3 TYR 40 HB1 TYR 40 -6.473 7.030 -1.886 277 HD1 TYR 40 HD1 TYR 40 -4.673 5.487 -2.315 278 HD2 TYR 40 HD2 TYR 40 -8.387 5.056 -4.354 279 HE1 TYR 40 HE1 TYR 40 -3.622 3.930 -3.899 280 HE2 TYR 40 HE2 TYR 40 -7.340 3.497 -5.936 281 HH TYR 40 HH TYR 40 -4.144 2.240 -5.438 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 3.028 -1.275 7.288 2 H2 GLY 1 HT2 GLY 1 3.548 -0.200 6.091 3 H3 GLY 1 HT3 GLY 1 4.637 -0.753 7.260 4 HA2 GLY 1 HA1 GLY 1 5.004 -1.880 5.164 5 HA3 GLY 1 HA2 GLY 1 4.486 -2.995 6.415 6 H PHE 2 HN PHE 2 2.510 -3.978 6.277 7 HA PHE 2 HA PHE 2 0.706 -4.922 5.308 8 HB2 PHE 2 HB2 PHE 2 0.378 -2.238 3.957 9 HB3 PHE 2 HB1 PHE 2 -0.863 -3.473 4.139 10 HD1 PHE 2 HD1 PHE 2 0.114 -0.454 5.371 11 HD2 PHE 2 HD2 PHE 2 -0.965 -4.331 6.728 12 HE1 PHE 2 HE1 PHE 2 -0.555 0.498 7.532 13 HE2 PHE 2 HE2 PHE 2 -1.639 -3.388 8.893 14 HZ PHE 2 HZ PHE 2 -1.435 -0.968 9.302 15 H GLY 3 HN GLY 3 3.168 -5.393 4.074 16 HA2 GLY 3 HA2 GLY 3 3.488 -6.912 2.279 17 HA3 GLY 3 HA1 GLY 3 2.163 -6.139 1.428 18 H CYS 4 HN CYS 4 3.480 -3.467 2.230 19 HA CYS 4 HA CYS 4 5.234 -3.429 -0.104 20 HB2 CYS 4 HB2 CYS 4 3.360 -1.742 0.213 21 HB3 CYS 4 HB1 CYS 4 4.332 -1.039 1.501 22 H ASN 5 HN ASN 5 5.308 -1.998 3.162 23 HA ASN 5 HA ASN 5 6.826 -2.069 4.829 24 HB2 ASN 5 HB2 ASN 5 8.407 -4.030 3.153 25 HB3 ASN 5 HB1 ASN 5 8.578 -3.721 4.879 26 HD21 ASN 5 HD21 ASN 5 6.895 -4.335 6.284 27 HD22 ASN 5 HD22 ASN 5 5.803 -5.606 5.859 28 H GLY 6 HN GLY 6 8.298 -1.815 1.644 29 HA2 GLY 6 HA2 GLY 6 9.551 0.633 2.127 30 HA3 GLY 6 HA1 GLY 6 10.721 -0.643 2.450 31 HA PRO 7 HA PRO 7 10.382 0.662 -2.162 32 HB2 PRO 7 HB2 PRO 7 13.178 0.840 -2.324 33 HB3 PRO 7 HB1 PRO 7 12.048 2.192 -2.240 34 HG2 PRO 7 HG2 PRO 7 13.671 0.935 -0.090 35 HG3 PRO 7 HG1 PRO 7 13.187 2.627 -0.292 36 HD2 PRO 7 HD2 PRO 7 12.015 1.029 1.519 37 HD3 PRO 7 HD1 PRO 7 11.095 2.268 0.641 38 H TRP 8 HN TRP 8 12.710 -1.390 -0.448 39 HA TRP 8 HA TRP 8 13.348 -2.987 -2.710 40 HB2 TRP 8 HB2 TRP 8 13.716 -3.815 0.159 41 HB3 TRP 8 HB1 TRP 8 14.700 -4.228 -1.235 42 HD1 TRP 8 HD1 TRP 8 14.097 -1.440 1.279 43 HE1 TRP 8 HE1 TRP 8 16.077 0.211 1.193 44 HE3 TRP 8 HE3 TRP 8 16.538 -3.331 -2.792 45 HZ2 TRP 8 HZ2 TRP 8 18.369 0.639 -0.395 46 HZ3 TRP 8 HZ3 TRP 8 18.619 -2.244 -3.531 47 HH2 TRP 8 HH2 TRP 8 19.513 -0.299 -2.356 48 H GLN 9 HN GLN 9 10.957 -3.147 -0.175 49 HA GLN 9 HA GLN 9 10.374 -5.945 -0.764 50 HB2 GLN 9 HB2 GLN 9 8.789 -4.417 1.233 51 HB3 GLN 9 HB1 GLN 9 9.358 -6.080 1.293 52 HG2 GLN 9 HG2 GLN 9 11.696 -4.994 1.548 53 HG3 GLN 9 HG1 GLN 9 10.798 -3.558 1.992 54 HE21 GLN 9 HE21 GLN 9 11.596 -3.572 4.072 55 HE22 GLN 9 HE22 GLN 9 11.079 -4.724 5.255 56 H GLU 10 HN GLU 10 9.362 -2.876 -1.639 57 HA GLU 10 HA GLU 10 6.666 -2.836 -1.879 58 HB2 GLU 10 HB2 GLU 10 8.524 -1.164 -2.645 59 HB3 GLU 10 HB1 GLU 10 8.354 -1.964 -4.201 60 HG2 GLU 10 HG2 GLU 10 6.037 -0.759 -2.726 61 HG3 GLU 10 HG1 GLU 10 7.029 0.155 -3.862 62 H ASP 11 HN ASP 11 5.254 -4.163 -2.683 63 HA ASP 11 HA ASP 11 6.027 -6.238 -4.542 64 HB2 ASP 11 HB2 ASP 11 4.697 -6.933 -2.669 65 HB3 ASP 11 HB1 ASP 11 3.494 -5.694 -2.985 66 H ASP 12 HN ASP 12 2.824 -4.925 -4.620 67 HA ASP 12 HA ASP 12 2.948 -3.171 -6.777 68 HB2 ASP 12 HB2 ASP 12 3.698 -5.137 -8.042 69 HB3 ASP 12 HB1 ASP 12 2.296 -6.035 -7.483 70 H LEU 13 HN LEU 13 1.012 -6.004 -5.897 71 HA LEU 13 HA LEU 13 -1.388 -4.331 -5.967 72 HB2 LEU 13 HB2 LEU 13 -1.202 -6.245 -7.517 73 HB3 LEU 13 HB1 LEU 13 -1.059 -7.320 -6.144 74 HG LEU 13 HG LEU 13 -3.344 -6.663 -5.429 75 HD11 LEU 13 HD11 LEU 13 -3.426 -5.222 -8.077 76 HD12 LEU 13 HD12 LEU 13 -3.402 -4.454 -6.491 77 HD13 LEU 13 HD13 LEU 13 -4.779 -5.444 -6.969 78 HD21 LEU 13 HD21 LEU 13 -2.987 -8.676 -6.762 79 HD22 LEU 13 HD22 LEU 13 -3.131 -7.731 -8.244 80 HD23 LEU 13 HD23 LEU 13 -4.521 -7.910 -7.174 81 H LYS 14 HN LYS 14 0.654 -6.119 -3.860 82 HA LYS 14 HA LYS 14 -1.120 -7.005 -1.907 83 HB2 LYS 14 HB2 LYS 14 1.753 -6.413 -2.042 84 HB3 LYS 14 HB1 LYS 14 1.073 -6.238 -0.432 85 HG2 LYS 14 HG2 LYS 14 0.780 -8.700 -2.138 86 HG3 LYS 14 HG1 LYS 14 2.020 -8.480 -0.904 87 HD2 LYS 14 HD2 LYS 14 -0.945 -8.327 -0.368 88 HD3 LYS 14 HD1 LYS 14 0.025 -9.781 -0.142 89 HE2 LYS 14 HE2 LYS 14 1.409 -8.621 1.494 90 HE3 LYS 14 HE1 LYS 14 0.481 -7.142 1.255 91 HZ1 LYS 14 HZ1 LYS 14 -0.584 -9.704 2.309 92 HZ2 LYS 14 HZ2 LYS 14 -1.481 -8.290 2.081 93 HZ3 LYS 14 HZ3 LYS 14 -0.235 -8.328 3.226 94 H CYS 15 HN CYS 15 0.372 -3.813 -2.277 95 HA CYS 15 HA CYS 15 -0.625 -2.741 0.144 96 HB2 CYS 15 HB2 CYS 15 1.217 -1.743 -1.247 97 HB3 CYS 15 HB1 CYS 15 -0.005 -1.213 -2.395 98 H HIS 16 HN HIS 16 -1.848 -2.721 -3.170 99 HA HIS 16 HA HIS 16 -4.205 -1.274 -2.757 100 HB2 HIS 16 HB2 HIS 16 -3.340 -1.792 -4.986 101 HB3 HIS 16 HB1 HIS 16 -3.595 -3.507 -4.714 102 HD1 HIS 16 HD1 HIS 16 -5.340 -0.395 -5.730 103 HD2 HIS 16 HD2 HIS 16 -6.280 -4.352 -4.926 104 HE1 HIS 16 HE1 HIS 16 -7.688 -0.706 -6.541 105 HE2 HIS 16 HE2 HIS 16 -8.090 -3.183 -6.358 106 H ASN 17 HN ASN 17 -3.653 -4.768 -2.766 107 HA ASN 17 HA ASN 17 -6.217 -5.621 -2.126 108 HB2 ASN 17 HB2 ASN 17 -3.502 -6.840 -1.722 109 HB3 ASN 17 HB1 ASN 17 -4.948 -7.669 -1.171 110 HD21 ASN 17 HD21 ASN 17 -3.072 -8.504 -3.169 111 HD22 ASN 17 HD22 ASN 17 -3.954 -8.660 -4.645 112 H HIS 18 HN HIS 18 -3.582 -4.647 0.031 113 HA HIS 18 HA HIS 18 -4.654 -5.483 2.452 114 HB2 HIS 18 HB2 HIS 18 -2.503 -4.676 2.687 115 HB3 HIS 18 HB1 HIS 18 -2.785 -3.296 1.634 116 HD1 HIS 18 HD1 HIS 18 -3.895 -4.453 5.090 117 HD2 HIS 18 HD2 HIS 18 -3.038 -0.983 2.975 118 HE1 HIS 18 HE1 HIS 18 -4.207 -2.573 6.730 119 HE2 HIS 18 HE2 HIS 18 -3.669 -0.476 5.436 120 H CYS 19 HN CYS 19 -5.272 -2.550 0.611 121 HA CYS 19 HA CYS 19 -6.973 -1.407 2.616 122 HB2 CYS 19 HB2 CYS 19 -6.760 -0.629 -0.293 123 HB3 CYS 19 HB1 CYS 19 -7.283 0.378 1.054 124 H LYS 20 HN LYS 20 -7.388 -3.744 0.181 125 HA LYS 20 HA LYS 20 -10.127 -3.179 -0.421 126 HB2 LYS 20 HB2 LYS 20 -8.614 -5.742 -0.897 127 HB3 LYS 20 HB1 LYS 20 -10.116 -5.249 -1.665 128 HG2 LYS 20 HG2 LYS 20 -7.506 -3.802 -1.940 129 HG3 LYS 20 HG1 LYS 20 -8.119 -4.977 -3.102 130 HD2 LYS 20 HD2 LYS 20 -9.682 -2.536 -2.320 131 HD3 LYS 20 HD1 LYS 20 -8.439 -2.478 -3.571 132 HE2 LYS 20 HE2 LYS 20 -10.565 -2.775 -4.627 133 HE3 LYS 20 HE1 LYS 20 -9.647 -4.267 -4.785 134 HZ1 LYS 20 HZ1 LYS 20 -10.966 -5.297 -3.132 135 HZ2 LYS 20 HZ2 LYS 20 -12.036 -4.540 -4.197 136 HZ3 LYS 20 HZ3 LYS 20 -11.705 -3.840 -2.698 137 H SER 21 HN SER 21 -8.416 -5.015 1.961 138 HA SER 21 HA SER 21 -10.789 -6.467 2.788 139 HB2 SER 21 HB2 SER 21 -9.089 -7.227 4.636 140 HB3 SER 21 HB1 SER 21 -8.933 -7.841 2.989 141 HG SER 21 HG SER 21 -7.138 -6.757 2.739 142 H ILE 22 HN ILE 22 -9.673 -3.412 3.265 143 HA ILE 22 HA ILE 22 -10.734 -3.225 5.994 144 HB ILE 22 HB ILE 22 -9.537 -0.975 4.380 145 HG12 ILE 22 HG12 ILE 22 -8.119 -2.684 6.414 146 HG13 ILE 22 HG11 ILE 22 -7.876 -2.822 4.675 147 HG21 ILE 22 HG21 ILE 22 -9.165 -0.014 6.633 148 HG22 ILE 22 HG22 ILE 22 -10.048 -1.379 7.318 149 HG23 ILE 22 HG23 ILE 22 -10.865 -0.255 6.232 150 HD11 ILE 22 HD11 ILE 22 -7.065 -0.532 4.603 151 HD12 ILE 22 HD12 ILE 22 -6.122 -1.505 5.734 152 HD13 ILE 22 HD13 ILE 22 -7.338 -0.376 6.338 153 H LYS 23 HN LYS 23 -12.421 -1.800 6.481 154 HA LYS 23 HA LYS 23 -14.766 -1.867 5.769 155 HB2 LYS 23 HB2 LYS 23 -14.644 0.899 5.333 156 HB3 LYS 23 HB1 LYS 23 -15.023 0.054 6.828 157 HG2 LYS 23 HG2 LYS 23 -12.473 -0.048 7.142 158 HG3 LYS 23 HG1 LYS 23 -12.426 1.215 5.912 159 HD2 LYS 23 HD2 LYS 23 -13.843 1.306 8.571 160 HD3 LYS 23 HD1 LYS 23 -12.422 2.229 8.091 161 HE2 LYS 23 HE2 LYS 23 -15.130 2.462 6.785 162 HE3 LYS 23 HE1 LYS 23 -14.543 3.533 8.055 163 HZ1 LYS 23 HZ1 LYS 23 -14.213 4.503 5.881 164 HZ2 LYS 23 HZ2 LYS 23 -13.305 3.171 5.382 165 HZ3 LYS 23 HZ3 LYS 23 -12.720 4.182 6.602 166 H GLY 24 HN GLY 24 -13.631 0.800 3.741 167 HA2 GLY 24 HA2 GLY 24 -14.458 -0.684 1.401 168 HA3 GLY 24 HA1 GLY 24 -15.440 0.718 1.793 169 H TYR 25 HN TYR 25 -11.956 0.385 2.162 170 HA TYR 25 HA TYR 25 -11.409 2.641 0.512 171 HB2 TYR 25 HB2 TYR 25 -9.596 0.373 1.342 172 HB3 TYR 25 HB1 TYR 25 -9.060 1.856 0.559 173 HD1 TYR 25 HD1 TYR 25 -8.772 3.846 1.768 174 HD2 TYR 25 HD2 TYR 25 -10.535 0.465 3.642 175 HE1 TYR 25 HE1 TYR 25 -8.619 4.974 3.955 176 HE2 TYR 25 HE2 TYR 25 -10.360 1.567 5.832 177 HH TYR 25 HH TYR 25 -9.693 4.869 6.172 178 H LYS 26 HN LYS 26 -10.572 2.739 -1.562 179 HA LYS 26 HA LYS 26 -11.727 0.748 -3.324 180 HB2 LYS 26 HB2 LYS 26 -12.103 3.069 -3.848 181 HB3 LYS 26 HB1 LYS 26 -10.374 3.408 -3.784 182 HG2 LYS 26 HG2 LYS 26 -9.987 2.161 -5.781 183 HG3 LYS 26 HG1 LYS 26 -11.643 1.553 -5.792 184 HD2 LYS 26 HD2 LYS 26 -11.319 3.370 -7.418 185 HD3 LYS 26 HD1 LYS 26 -12.493 3.801 -6.173 186 HE2 LYS 26 HE2 LYS 26 -10.819 5.105 -5.007 187 HE3 LYS 26 HE1 LYS 26 -9.591 4.613 -6.170 188 HZ1 LYS 26 HZ1 LYS 26 -11.992 6.250 -6.764 189 HZ2 LYS 26 HZ2 LYS 26 -10.842 5.747 -7.899 190 HZ3 LYS 26 HZ3 LYS 26 -10.399 6.812 -6.665 191 H GLY 27 HN GLY 27 -8.567 2.061 -2.500 192 HA2 GLY 27 HA2 GLY 27 -7.282 -0.361 -3.342 193 HA3 GLY 27 HA1 GLY 27 -6.965 0.986 -4.430 194 H GLY 28 HN GLY 28 -4.737 0.287 -3.566 195 HA2 GLY 28 HA2 GLY 28 -4.031 2.186 -1.475 196 HA3 GLY 28 HA1 GLY 28 -3.698 0.497 -1.127 197 H TYR 29 HN TYR 29 -1.965 2.907 -1.558 198 HA TYR 29 HA TYR 29 -0.078 1.605 -3.353 199 HB2 TYR 29 HB2 TYR 29 0.396 3.609 -4.622 200 HB3 TYR 29 HB1 TYR 29 -1.311 3.228 -4.764 201 HD1 TYR 29 HD1 TYR 29 0.906 5.852 -4.411 202 HD2 TYR 29 HD2 TYR 29 -2.758 4.429 -2.793 203 HE1 TYR 29 HE1 TYR 29 0.354 8.129 -3.672 204 HE2 TYR 29 HE2 TYR 29 -3.324 6.704 -2.055 205 HH TYR 29 HH TYR 29 -2.134 8.801 -1.484 206 H CYS 30 HN CYS 30 2.059 2.129 -2.958 207 HA CYS 30 HA CYS 30 2.595 2.773 -0.228 208 HB2 CYS 30 HB2 CYS 30 4.600 2.445 -2.469 209 HB3 CYS 30 HB1 CYS 30 4.873 2.237 -0.742 210 H ALA 31 HN ALA 31 2.764 4.758 0.570 211 HA ALA 31 HA ALA 31 2.500 6.960 -1.245 212 HB1 ALA 31 HB1 ALA 31 1.247 6.847 0.854 213 HB2 ALA 31 HB2 ALA 31 2.210 8.320 0.741 214 HB3 ALA 31 HB3 ALA 31 2.756 6.985 1.756 215 H LYS 32 HN LYS 32 5.028 5.849 0.957 216 HA LYS 32 HA LYS 32 6.795 7.899 -0.197 217 HB2 LYS 32 HB2 LYS 32 6.882 6.874 2.648 218 HB3 LYS 32 HB1 LYS 32 7.931 8.098 1.952 219 HG2 LYS 32 HG2 LYS 32 4.961 8.351 2.389 220 HG3 LYS 32 HG1 LYS 32 6.226 9.095 3.364 221 HD2 LYS 32 HD2 LYS 32 6.990 10.301 1.312 222 HD3 LYS 32 HD1 LYS 32 5.575 9.662 0.476 223 HE2 LYS 32 HE2 LYS 32 5.566 11.454 2.904 224 HE3 LYS 32 HE1 LYS 32 5.157 11.928 1.258 225 HZ1 LYS 32 HZ1 LYS 32 3.666 9.962 2.916 226 HZ2 LYS 32 HZ2 LYS 32 3.273 10.410 1.332 227 HZ3 LYS 32 HZ3 LYS 32 3.181 11.546 2.580 228 H GLY 33 HN GLY 33 7.045 5.906 -1.671 229 HA2 GLY 33 HA2 GLY 33 8.875 4.720 -2.505 230 HA3 GLY 33 HA1 GLY 33 9.606 4.762 -0.909 231 H GLY 34 HN GLY 34 7.674 3.617 0.645 232 HA2 GLY 34 HA2 GLY 34 6.433 1.323 -0.291 233 HA3 GLY 34 HA1 GLY 34 8.081 0.864 0.088 234 H PHE 35 HN PHE 35 8.156 2.906 2.246 235 HA PHE 35 HA PHE 35 7.758 1.253 4.406 236 HB2 PHE 35 HB2 PHE 35 7.708 4.274 4.304 237 HB3 PHE 35 HB1 PHE 35 7.880 3.332 5.777 238 HD1 PHE 35 HD1 PHE 35 9.555 4.814 2.997 239 HD2 PHE 35 HD2 PHE 35 9.903 1.795 5.977 240 HE1 PHE 35 HE1 PHE 35 11.989 4.748 2.643 241 HE2 PHE 35 HE2 PHE 35 12.335 1.726 5.628 242 HZ PHE 35 HZ PHE 35 13.381 3.204 3.961 243 H VAL 36 HN VAL 36 5.556 3.711 3.129 244 HA VAL 36 HA VAL 36 3.516 2.769 5.012 245 HB VAL 36 HB VAL 36 3.783 4.997 5.550 246 HG11 VAL 36 HG11 VAL 36 4.084 5.626 2.627 247 HG12 VAL 36 HG12 VAL 36 5.380 5.547 3.822 248 HG13 VAL 36 HG13 VAL 36 4.144 6.802 3.939 249 HG21 VAL 36 HG21 VAL 36 1.863 6.238 4.727 250 HG22 VAL 36 HG22 VAL 36 1.426 4.555 5.018 251 HG23 VAL 36 HG23 VAL 36 1.702 5.121 3.372 252 H CYS 37 HN CYS 37 1.766 1.848 4.267 253 HA CYS 37 HA CYS 37 1.243 1.850 1.384 254 HB2 CYS 37 HB2 CYS 37 1.535 -0.362 2.419 255 HB3 CYS 37 HB1 CYS 37 0.263 0.002 3.573 256 H LYS 38 HN LYS 38 0.097 3.674 1.090 257 HA LYS 38 HA LYS 38 -1.984 4.463 2.937 258 HB2 LYS 38 HB2 LYS 38 -0.492 6.143 1.917 259 HB3 LYS 38 HB1 LYS 38 -1.106 5.710 0.327 260 HG2 LYS 38 HG2 LYS 38 -3.417 6.314 1.352 261 HG3 LYS 38 HG1 LYS 38 -2.449 7.196 2.536 262 HD2 LYS 38 HD2 LYS 38 -1.429 8.506 0.816 263 HD3 LYS 38 HD1 LYS 38 -2.171 7.506 -0.433 264 HE2 LYS 38 HE2 LYS 38 -4.384 8.277 0.249 265 HE3 LYS 38 HE1 LYS 38 -3.648 9.274 1.507 266 HZ1 LYS 38 HZ1 LYS 38 -4.211 10.505 -0.543 267 HZ2 LYS 38 HZ2 LYS 38 -3.085 9.567 -1.391 268 HZ3 LYS 38 HZ3 LYS 38 -2.567 10.588 -0.147 269 H CYS 39 HN CYS 39 -4.148 4.970 2.158 270 HA CYS 39 HA CYS 39 -5.056 3.207 -0.006 271 HB2 CYS 39 HB2 CYS 39 -6.391 3.418 2.698 272 HB3 CYS 39 HB1 CYS 39 -6.889 2.395 1.360 273 H TYR 40 HN TYR 40 -7.186 3.805 -0.849 274 HA TYR 40 HA TYR 40 -8.096 6.462 -0.069 275 HB2 TYR 40 HB2 TYR 40 -8.312 6.996 -2.570 276 HB3 TYR 40 HB1 TYR 40 -6.709 7.091 -1.853 277 HD1 TYR 40 HD1 TYR 40 -4.949 5.627 -2.584 278 HD2 TYR 40 HD2 TYR 40 -8.902 5.108 -4.047 279 HE1 TYR 40 HE1 TYR 40 -4.108 4.078 -4.301 280 HE2 TYR 40 HE2 TYR 40 -8.070 3.558 -5.765 281 HH TYR 40 HH TYR 40 -6.056 2.996 -6.911 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 5.742 -1.121 6.200 2 H2 GLY 1 HT2 GLY 1 5.939 -2.238 4.947 3 H3 GLY 1 HT3 GLY 1 5.643 -2.780 6.523 4 HA2 GLY 1 HA1 GLY 1 3.457 -1.664 6.450 5 HA3 GLY 1 HA2 GLY 1 3.775 -1.314 4.757 6 H PHE 2 HN PHE 2 1.630 -2.562 4.835 7 HA PHE 2 HA PHE 2 1.847 -5.422 5.128 8 HB2 PHE 2 HB2 PHE 2 -0.414 -3.774 3.982 9 HB3 PHE 2 HB1 PHE 2 -0.503 -5.453 4.505 10 HD1 PHE 2 HD1 PHE 2 -0.837 -2.054 5.477 11 HD2 PHE 2 HD2 PHE 2 -0.015 -5.956 6.944 12 HE1 PHE 2 HE1 PHE 2 -1.420 -1.317 7.751 13 HE2 PHE 2 HE2 PHE 2 -0.599 -5.232 9.219 14 HZ PHE 2 HZ PHE 2 -1.301 -2.906 9.625 15 H GLY 3 HN GLY 3 3.687 -5.267 3.554 16 HA2 GLY 3 HA2 GLY 3 3.708 -6.624 1.373 17 HA3 GLY 3 HA1 GLY 3 2.802 -5.247 0.749 18 H CYS 4 HN CYS 4 3.855 -3.083 1.165 19 HA CYS 4 HA CYS 4 6.501 -3.104 0.171 20 HB2 CYS 4 HB2 CYS 4 4.543 -1.028 1.015 21 HB3 CYS 4 HB1 CYS 4 6.229 -0.576 0.912 22 H ASN 5 HN ASN 5 7.995 -3.968 1.421 23 HA ASN 5 HA ASN 5 8.263 -3.106 4.218 24 HB2 ASN 5 HB2 ASN 5 9.175 -5.491 2.664 25 HB3 ASN 5 HB1 ASN 5 10.105 -5.006 4.069 26 HD21 ASN 5 HD21 ASN 5 6.647 -4.747 3.644 27 HD22 ASN 5 HD22 ASN 5 6.215 -5.867 4.888 28 H GLY 6 HN GLY 6 8.958 -1.439 1.927 29 HA2 GLY 6 HA2 GLY 6 10.913 0.096 2.196 30 HA3 GLY 6 HA1 GLY 6 11.898 -1.361 2.141 31 HA PRO 7 HA PRO 7 11.241 0.801 -2.145 32 HB2 PRO 7 HB2 PRO 7 14.039 0.438 -2.525 33 HB3 PRO 7 HB1 PRO 7 13.170 1.960 -2.322 34 HG2 PRO 7 HG2 PRO 7 14.692 0.368 -0.351 35 HG3 PRO 7 HG1 PRO 7 14.368 2.110 -0.384 36 HD2 PRO 7 HD2 PRO 7 13.153 0.463 1.362 37 HD3 PRO 7 HD1 PRO 7 12.320 1.871 0.668 38 H TRP 8 HN TRP 8 13.367 -1.854 -1.119 39 HA TRP 8 HA TRP 8 13.400 -3.119 -3.678 40 HB2 TRP 8 HB2 TRP 8 14.093 -4.582 -1.169 41 HB3 TRP 8 HB1 TRP 8 14.902 -4.592 -2.730 42 HD1 TRP 8 HD1 TRP 8 14.725 -2.649 0.541 43 HE1 TRP 8 HE1 TRP 8 16.747 -1.043 0.661 44 HE3 TRP 8 HE3 TRP 8 16.548 -3.276 -4.198 45 HZ2 TRP 8 HZ2 TRP 8 18.824 -0.168 -1.039 46 HZ3 TRP 8 HZ3 TRP 8 18.552 -2.017 -4.870 47 HH2 TRP 8 HH2 TRP 8 19.664 -0.494 -3.320 48 H GLN 9 HN GLN 9 11.196 -3.035 -1.166 49 HA GLN 9 HA GLN 9 10.134 -5.728 -1.713 50 HB2 GLN 9 HB2 GLN 9 9.609 -3.900 0.629 51 HB3 GLN 9 HB1 GLN 9 9.138 -5.590 0.489 52 HG2 GLN 9 HG2 GLN 9 12.011 -4.840 0.328 53 HG3 GLN 9 HG1 GLN 9 11.232 -4.907 1.895 54 HE21 GLN 9 HE21 GLN 9 12.469 -6.638 2.570 55 HE22 GLN 9 HE22 GLN 9 12.253 -8.235 1.951 56 H GLU 10 HN GLU 10 9.744 -2.586 -2.461 57 HA GLU 10 HA GLU 10 7.170 -1.810 -2.123 58 HB2 GLU 10 HB2 GLU 10 9.185 -0.634 -3.205 59 HB3 GLU 10 HB1 GLU 10 8.635 -1.358 -4.706 60 HG2 GLU 10 HG2 GLU 10 6.724 0.198 -3.058 61 HG3 GLU 10 HG1 GLU 10 7.920 1.053 -4.027 62 H ASP 11 HN ASP 11 5.341 -2.778 -2.532 63 HA ASP 11 HA ASP 11 4.874 -4.002 -5.143 64 HB2 ASP 11 HB2 ASP 11 5.492 -5.822 -3.527 65 HB3 ASP 11 HB1 ASP 11 4.099 -5.363 -2.554 66 H ASP 12 HN ASP 12 3.222 -2.969 -5.939 67 HA ASP 12 HA ASP 12 1.585 -1.225 -4.453 68 HB2 ASP 12 HB2 ASP 12 2.120 -0.951 -6.856 69 HB3 ASP 12 HB1 ASP 12 1.121 -2.347 -7.221 70 H LEU 13 HN LEU 13 1.076 -4.474 -5.705 71 HA LEU 13 HA LEU 13 -1.738 -4.374 -5.389 72 HB2 LEU 13 HB2 LEU 13 -0.476 -5.823 -7.012 73 HB3 LEU 13 HB1 LEU 13 -0.088 -6.866 -5.656 74 HG LEU 13 HG LEU 13 -2.506 -7.217 -5.253 75 HD11 LEU 13 HD11 LEU 13 -2.835 -5.618 -7.782 76 HD12 LEU 13 HD12 LEU 13 -3.365 -5.153 -6.164 77 HD13 LEU 13 HD13 LEU 13 -4.109 -6.532 -6.974 78 HD21 LEU 13 HD21 LEU 13 -1.256 -8.815 -6.594 79 HD22 LEU 13 HD22 LEU 13 -1.571 -7.862 -8.044 80 HD23 LEU 13 HD23 LEU 13 -2.904 -8.646 -7.198 81 H LYS 14 HN LYS 14 0.881 -5.667 -3.390 82 HA LYS 14 HA LYS 14 -0.770 -7.005 -1.534 83 HB2 LYS 14 HB2 LYS 14 2.003 -5.896 -1.471 84 HB3 LYS 14 HB1 LYS 14 1.252 -6.343 0.054 85 HG2 LYS 14 HG2 LYS 14 1.456 -8.212 -2.290 86 HG3 LYS 14 HG1 LYS 14 2.674 -8.108 -1.019 87 HD2 LYS 14 HD2 LYS 14 -0.244 -8.683 -0.511 88 HD3 LYS 14 HD1 LYS 14 0.984 -9.933 -0.703 89 HE2 LYS 14 HE2 LYS 14 1.089 -7.753 1.382 90 HE3 LYS 14 HE1 LYS 14 0.453 -9.370 1.670 91 HZ1 LYS 14 HZ1 LYS 14 2.785 -9.091 2.370 92 HZ2 LYS 14 HZ2 LYS 14 3.220 -8.801 0.763 93 HZ3 LYS 14 HZ3 LYS 14 2.591 -10.304 1.209 94 H CYS 15 HN CYS 15 0.468 -3.647 -1.518 95 HA CYS 15 HA CYS 15 -0.879 -2.935 0.868 96 HB2 CYS 15 HB2 CYS 15 0.270 -1.339 -1.414 97 HB3 CYS 15 HB1 CYS 15 -0.542 -0.575 -0.064 98 H HIS 16 HN HIS 16 -1.697 -2.832 -2.548 99 HA HIS 16 HA HIS 16 -4.159 -1.524 -2.416 100 HB2 HIS 16 HB2 HIS 16 -2.998 -2.029 -4.511 101 HB3 HIS 16 HB1 HIS 16 -3.214 -3.751 -4.238 102 HD1 HIS 16 HD1 HIS 16 -5.014 -0.699 -5.405 103 HD2 HIS 16 HD2 HIS 16 -5.715 -4.759 -4.878 104 HE1 HIS 16 HE1 HIS 16 -7.232 -1.151 -6.496 105 HE2 HIS 16 HE2 HIS 16 -7.466 -3.654 -6.427 106 H ASN 17 HN ASN 17 -3.446 -4.981 -2.349 107 HA ASN 17 HA ASN 17 -5.995 -5.973 -1.871 108 HB2 ASN 17 HB2 ASN 17 -3.226 -6.989 -1.376 109 HB3 ASN 17 HB1 ASN 17 -4.592 -7.901 -0.758 110 HD21 ASN 17 HD21 ASN 17 -2.645 -8.587 -2.801 111 HD22 ASN 17 HD22 ASN 17 -3.550 -8.921 -4.229 112 H HIS 18 HN HIS 18 -3.548 -4.847 0.421 113 HA HIS 18 HA HIS 18 -4.808 -5.600 2.789 114 HB2 HIS 18 HB2 HIS 18 -2.666 -4.785 3.124 115 HB3 HIS 18 HB1 HIS 18 -2.893 -3.437 2.018 116 HD1 HIS 18 HD1 HIS 18 -4.166 -4.486 5.464 117 HD2 HIS 18 HD2 HIS 18 -3.223 -1.090 3.265 118 HE1 HIS 18 HE1 HIS 18 -4.549 -2.544 7.019 119 HE2 HIS 18 HE2 HIS 18 -3.851 -0.508 5.704 120 H CYS 19 HN CYS 19 -5.208 -2.668 0.842 121 HA CYS 19 HA CYS 19 -7.090 -1.503 2.640 122 HB2 CYS 19 HB2 CYS 19 -6.563 -0.796 -0.249 123 HB3 CYS 19 HB1 CYS 19 -7.322 0.228 0.966 124 H LYS 20 HN LYS 20 -7.315 -3.776 0.058 125 HA LYS 20 HA LYS 20 -10.015 -3.410 -0.673 126 HB2 LYS 20 HB2 LYS 20 -8.453 -5.997 -0.636 127 HB3 LYS 20 HB1 LYS 20 -9.926 -5.685 -1.540 128 HG2 LYS 20 HG2 LYS 20 -7.378 -4.168 -1.962 129 HG3 LYS 20 HG1 LYS 20 -7.799 -5.622 -2.862 130 HD2 LYS 20 HD2 LYS 20 -9.693 -3.312 -2.768 131 HD3 LYS 20 HD1 LYS 20 -8.298 -3.266 -3.851 132 HE2 LYS 20 HE2 LYS 20 -10.238 -4.092 -5.037 133 HE3 LYS 20 HE1 LYS 20 -9.042 -5.373 -4.871 134 HZ1 LYS 20 HZ1 LYS 20 -11.480 -5.064 -3.201 135 HZ2 LYS 20 HZ2 LYS 20 -10.343 -6.306 -3.065 136 HZ3 LYS 20 HZ3 LYS 20 -11.281 -6.174 -4.460 137 H SER 21 HN SER 21 -8.472 -4.823 2.061 138 HA SER 21 HA SER 21 -10.818 -6.288 2.925 139 HB2 SER 21 HB2 SER 21 -8.597 -7.273 3.261 140 HB3 SER 21 HB1 SER 21 -8.119 -5.890 4.241 141 HG SER 21 HG SER 21 -10.404 -6.916 5.200 142 H ILE 22 HN ILE 22 -9.816 -3.110 3.091 143 HA ILE 22 HA ILE 22 -11.005 -2.704 5.742 144 HB ILE 22 HB ILE 22 -9.527 -0.643 4.117 145 HG12 ILE 22 HG12 ILE 22 -8.452 -2.413 6.320 146 HG13 ILE 22 HG11 ILE 22 -8.018 -2.537 4.619 147 HG21 ILE 22 HG21 ILE 22 -10.492 -0.801 6.952 148 HG22 ILE 22 HG22 ILE 22 -10.825 0.434 5.735 149 HG23 ILE 22 HG23 ILE 22 -9.223 0.320 6.459 150 HD11 ILE 22 HD11 ILE 22 -7.049 -0.308 4.708 151 HD12 ILE 22 HD12 ILE 22 -6.310 -1.383 5.895 152 HD13 ILE 22 HD13 ILE 22 -7.496 -0.183 6.409 153 H LYS 23 HN LYS 23 -12.679 -1.413 6.064 154 HA LYS 23 HA LYS 23 -14.962 -1.399 5.188 155 HB2 LYS 23 HB2 LYS 23 -15.075 1.276 5.095 156 HB3 LYS 23 HB1 LYS 23 -14.944 0.349 6.584 157 HG2 LYS 23 HG2 LYS 23 -12.483 0.650 6.483 158 HG3 LYS 23 HG1 LYS 23 -12.705 1.700 5.084 159 HD2 LYS 23 HD2 LYS 23 -12.452 3.050 7.052 160 HD3 LYS 23 HD1 LYS 23 -14.116 3.179 6.483 161 HE2 LYS 23 HE2 LYS 23 -14.107 2.959 8.880 162 HE3 LYS 23 HE1 LYS 23 -14.785 1.503 8.163 163 HZ1 LYS 23 HZ1 LYS 23 -13.262 0.980 9.963 164 HZ2 LYS 23 HZ2 LYS 23 -12.005 1.791 9.179 165 HZ3 LYS 23 HZ3 LYS 23 -12.663 0.390 8.497 166 H GLY 24 HN GLY 24 -14.149 1.537 3.550 167 HA2 GLY 24 HA2 GLY 24 -15.205 0.308 1.082 168 HA3 GLY 24 HA1 GLY 24 -15.544 1.957 1.582 169 H TYR 25 HN TYR 25 -12.371 0.602 1.930 170 HA TYR 25 HA TYR 25 -11.245 2.652 0.269 171 HB2 TYR 25 HB2 TYR 25 -9.959 0.221 1.532 172 HB3 TYR 25 HB1 TYR 25 -9.086 1.525 0.742 173 HD1 TYR 25 HD1 TYR 25 -11.626 3.238 2.249 174 HD2 TYR 25 HD2 TYR 25 -8.173 0.990 3.295 175 HE1 TYR 25 HE1 TYR 25 -11.496 4.440 4.386 176 HE2 TYR 25 HE2 TYR 25 -8.036 2.179 5.434 177 HH TYR 25 HH TYR 25 -8.762 4.336 6.384 178 H LYS 26 HN LYS 26 -10.619 2.563 -1.795 179 HA LYS 26 HA LYS 26 -11.612 0.363 -3.375 180 HB2 LYS 26 HB2 LYS 26 -11.979 2.590 -4.199 181 HB3 LYS 26 HB1 LYS 26 -10.258 2.966 -4.076 182 HG2 LYS 26 HG2 LYS 26 -9.720 1.631 -5.914 183 HG3 LYS 26 HG1 LYS 26 -11.267 0.782 -5.874 184 HD2 LYS 26 HD2 LYS 26 -11.316 2.292 -7.720 185 HD3 LYS 26 HD1 LYS 26 -12.370 2.948 -6.468 186 HE2 LYS 26 HE2 LYS 26 -10.505 4.416 -5.749 187 HE3 LYS 26 HE1 LYS 26 -9.561 3.820 -7.112 188 HZ1 LYS 26 HZ1 LYS 26 -12.155 5.244 -7.316 189 HZ2 LYS 26 HZ2 LYS 26 -11.225 4.693 -8.614 190 HZ3 LYS 26 HZ3 LYS 26 -10.637 5.924 -7.617 191 H GLY 27 HN GLY 27 -8.489 1.762 -2.566 192 HA2 GLY 27 HA2 GLY 27 -7.168 -0.720 -3.160 193 HA3 GLY 27 HA1 GLY 27 -6.801 0.553 -4.315 194 H GLY 28 HN GLY 28 -4.627 -0.082 -3.301 195 HA2 GLY 28 HA2 GLY 28 -4.029 1.949 -1.299 196 HA3 GLY 28 HA1 GLY 28 -3.651 0.284 -0.878 197 H TYR 29 HN TYR 29 -1.923 2.646 -1.305 198 HA TYR 29 HA TYR 29 -0.026 1.338 -3.091 199 HB2 TYR 29 HB2 TYR 29 0.476 3.378 -4.319 200 HB3 TYR 29 HB1 TYR 29 -1.222 2.977 -4.509 201 HD1 TYR 29 HD1 TYR 29 1.048 5.558 -3.835 202 HD2 TYR 29 HD2 TYR 29 -2.829 4.177 -2.762 203 HE1 TYR 29 HE1 TYR 29 0.449 7.826 -3.099 204 HE2 TYR 29 HE2 TYR 29 -3.438 6.436 -2.020 205 HH TYR 29 HH TYR 29 -1.689 9.163 -2.814 206 H CYS 30 HN CYS 30 2.113 1.843 -2.646 207 HA CYS 30 HA CYS 30 2.583 2.640 0.078 208 HB2 CYS 30 HB2 CYS 30 4.762 2.150 -1.934 209 HB3 CYS 30 HB1 CYS 30 4.733 1.787 -0.209 210 H ALA 31 HN ALA 31 2.529 4.730 0.561 211 HA ALA 31 HA ALA 31 2.803 6.714 -1.478 212 HB1 ALA 31 HB1 ALA 31 2.534 7.076 1.502 213 HB2 ALA 31 HB2 ALA 31 1.198 6.938 0.360 214 HB3 ALA 31 HB3 ALA 31 2.295 8.317 0.272 215 H LYS 32 HN LYS 32 4.652 6.095 1.513 216 HA LYS 32 HA LYS 32 6.670 7.962 0.535 217 HB2 LYS 32 HB2 LYS 32 6.322 6.735 3.269 218 HB3 LYS 32 HB1 LYS 32 7.536 7.929 2.838 219 HG2 LYS 32 HG2 LYS 32 4.554 8.348 2.764 220 HG3 LYS 32 HG1 LYS 32 5.649 8.934 4.017 221 HD2 LYS 32 HD2 LYS 32 6.848 10.245 2.283 222 HD3 LYS 32 HD1 LYS 32 5.641 9.727 1.104 223 HE2 LYS 32 HE2 LYS 32 5.119 11.333 3.605 224 HE3 LYS 32 HE1 LYS 32 5.134 11.953 1.955 225 HZ1 LYS 32 HZ1 LYS 32 3.244 10.556 1.439 226 HZ2 LYS 32 HZ2 LYS 32 2.885 11.547 2.758 227 HZ3 LYS 32 HZ3 LYS 32 3.244 9.916 3.004 228 H GLY 33 HN GLY 33 7.001 5.858 -1.008 229 HA2 GLY 33 HA2 GLY 33 9.004 4.980 -1.801 230 HA3 GLY 33 HA1 GLY 33 9.737 5.310 -0.244 231 H GLY 34 HN GLY 34 6.926 3.341 -1.115 232 HA2 GLY 34 HA2 GLY 34 6.488 1.116 -0.787 233 HA3 GLY 34 HA1 GLY 34 8.216 0.851 -0.824 234 H PHE 35 HN PHE 35 6.268 2.732 1.463 235 HA PHE 35 HA PHE 35 7.047 0.797 3.533 236 HB2 PHE 35 HB2 PHE 35 7.165 3.790 3.585 237 HB3 PHE 35 HB1 PHE 35 6.946 2.892 5.083 238 HD1 PHE 35 HD1 PHE 35 9.246 3.868 2.481 239 HD2 PHE 35 HD2 PHE 35 8.707 1.298 5.826 240 HE1 PHE 35 HE1 PHE 35 11.674 3.508 2.591 241 HE2 PHE 35 HE2 PHE 35 11.135 0.930 5.939 242 HZ PHE 35 HZ PHE 35 12.614 1.981 4.325 243 H VAL 36 HN VAL 36 4.930 3.643 3.420 244 HA VAL 36 HA VAL 36 2.940 2.230 4.955 245 HB VAL 36 HB VAL 36 3.277 4.477 5.588 246 HG11 VAL 36 HG11 VAL 36 4.328 5.312 3.583 247 HG12 VAL 36 HG12 VAL 36 3.003 6.378 4.055 248 HG13 VAL 36 HG13 VAL 36 2.789 5.245 2.722 249 HG21 VAL 36 HG21 VAL 36 0.953 3.804 5.680 250 HG22 VAL 36 HG22 VAL 36 0.718 4.322 4.010 251 HG23 VAL 36 HG23 VAL 36 1.070 5.515 5.260 252 H CYS 37 HN CYS 37 1.205 1.263 4.202 253 HA CYS 37 HA CYS 37 0.584 1.361 1.368 254 HB2 CYS 37 HB2 CYS 37 -0.725 -0.195 3.611 255 HB3 CYS 37 HB1 CYS 37 -1.050 -0.401 1.898 256 H LYS 38 HN LYS 38 -0.079 3.579 1.320 257 HA LYS 38 HA LYS 38 -2.279 4.568 2.823 258 HB2 LYS 38 HB2 LYS 38 -0.808 6.184 1.910 259 HB3 LYS 38 HB1 LYS 38 -0.891 5.457 0.318 260 HG2 LYS 38 HG2 LYS 38 -2.081 7.520 0.280 261 HG3 LYS 38 HG1 LYS 38 -3.227 6.196 0.120 262 HD2 LYS 38 HD2 LYS 38 -3.790 6.413 2.498 263 HD3 LYS 38 HD1 LYS 38 -2.656 7.760 2.632 264 HE2 LYS 38 HE2 LYS 38 -5.073 7.670 0.817 265 HE3 LYS 38 HE1 LYS 38 -4.979 8.532 2.357 266 HZ1 LYS 38 HZ1 LYS 38 -3.165 9.868 1.419 267 HZ2 LYS 38 HZ2 LYS 38 -4.600 10.039 0.541 268 HZ3 LYS 38 HZ3 LYS 38 -3.350 9.079 -0.066 269 H CYS 39 HN CYS 39 -4.397 4.661 2.325 270 HA CYS 39 HA CYS 39 -5.290 2.998 0.065 271 HB2 CYS 39 HB2 CYS 39 -6.729 3.397 2.689 272 HB3 CYS 39 HB1 CYS 39 -7.155 2.274 1.408 273 H TYR 40 HN TYR 40 -7.347 3.608 -0.910 274 HA TYR 40 HA TYR 40 -8.172 6.348 -0.333 275 HB2 TYR 40 HB2 TYR 40 -8.279 6.704 -2.876 276 HB3 TYR 40 HB1 TYR 40 -6.701 6.783 -2.094 277 HD1 TYR 40 HD1 TYR 40 -5.003 5.102 -2.572 278 HD2 TYR 40 HD2 TYR 40 -8.873 4.832 -4.319 279 HE1 TYR 40 HE1 TYR 40 -4.173 3.407 -4.135 280 HE2 TYR 40 HE2 TYR 40 -8.044 3.137 -5.892 281 HH TYR 40 HH TYR 40 -5.023 1.596 -5.527 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 5.548 -1.472 6.776 2 H2 GLY 1 HT2 GLY 1 4.217 -0.877 5.924 3 H3 GLY 1 HT3 GLY 1 5.490 -1.611 5.090 4 HA2 GLY 1 HA1 GLY 1 4.992 -3.727 6.110 5 HA3 GLY 1 HA2 GLY 1 3.694 -2.969 7.020 6 H PHE 2 HN PHE 2 2.725 -4.922 5.809 7 HA PHE 2 HA PHE 2 1.262 -5.717 4.288 8 HB2 PHE 2 HB2 PHE 2 0.708 -2.819 3.627 9 HB3 PHE 2 HB1 PHE 2 -0.375 -4.188 3.410 10 HD1 PHE 2 HD1 PHE 2 0.446 -1.510 5.477 11 HD2 PHE 2 HD2 PHE 2 -0.899 -5.539 5.604 12 HE1 PHE 2 HE1 PHE 2 -0.484 -1.122 7.719 13 HE2 PHE 2 HE2 PHE 2 -1.837 -5.162 7.847 14 HZ PHE 2 HZ PHE 2 -1.626 -2.992 8.917 15 H GLY 3 HN GLY 3 3.633 -6.041 3.360 16 HA2 GLY 3 HA2 GLY 3 4.405 -6.713 1.228 17 HA3 GLY 3 HA1 GLY 3 3.371 -5.491 0.498 18 H CYS 4 HN CYS 4 3.998 -3.193 1.566 19 HA CYS 4 HA CYS 4 6.687 -2.773 0.639 20 HB2 CYS 4 HB2 CYS 4 4.401 -0.982 1.365 21 HB3 CYS 4 HB1 CYS 4 6.014 -0.337 1.175 22 H ASN 5 HN ASN 5 7.808 -3.827 2.260 23 HA ASN 5 HA ASN 5 8.017 -2.430 4.833 24 HB2 ASN 5 HB2 ASN 5 8.808 -5.138 3.813 25 HB3 ASN 5 HB1 ASN 5 9.698 -4.463 5.171 26 HD21 ASN 5 HD21 ASN 5 7.804 -6.763 4.878 27 HD22 ASN 5 HD22 ASN 5 6.617 -6.511 6.107 28 H GLY 6 HN GLY 6 8.829 -1.097 2.539 29 HA2 GLY 6 HA2 GLY 6 10.921 0.226 2.439 30 HA3 GLY 6 HA1 GLY 6 11.775 -1.311 2.564 31 HA PRO 7 HA PRO 7 10.654 0.241 -2.002 32 HB2 PRO 7 HB2 PRO 7 13.506 0.197 -2.376 33 HB3 PRO 7 HB1 PRO 7 12.398 1.558 -2.563 34 HG2 PRO 7 HG2 PRO 7 14.157 0.862 -0.323 35 HG3 PRO 7 HG1 PRO 7 13.399 2.413 -0.715 36 HD2 PRO 7 HD2 PRO 7 12.647 0.890 1.392 37 HD3 PRO 7 HD1 PRO 7 11.516 1.937 0.511 38 H TRP 8 HN TRP 8 13.102 -1.903 -0.605 39 HA TRP 8 HA TRP 8 13.421 -3.576 -2.863 40 HB2 TRP 8 HB2 TRP 8 13.827 -4.738 -0.168 41 HB3 TRP 8 HB1 TRP 8 14.901 -4.727 -1.558 42 HD1 TRP 8 HD1 TRP 8 13.738 -2.363 1.267 43 HE1 TRP 8 HE1 TRP 8 15.651 -0.722 1.782 44 HE3 TRP 8 HE3 TRP 8 17.004 -3.748 -2.412 45 HZ2 TRP 8 HZ2 TRP 8 18.205 -0.101 0.762 46 HZ3 TRP 8 HZ3 TRP 8 19.158 -2.578 -2.574 47 HH2 TRP 8 HH2 TRP 8 19.745 -0.791 -1.019 48 H GLN 9 HN GLN 9 11.185 -3.473 -0.234 49 HA GLN 9 HA GLN 9 10.105 -6.137 -0.720 50 HB2 GLN 9 HB2 GLN 9 9.117 -3.997 1.164 51 HB3 GLN 9 HB1 GLN 9 8.748 -5.711 1.219 52 HG2 GLN 9 HG2 GLN 9 11.567 -4.825 1.497 53 HG3 GLN 9 HG1 GLN 9 10.476 -4.640 2.862 54 HE21 GLN 9 HE21 GLN 9 12.694 -6.238 2.985 55 HE22 GLN 9 HE22 GLN 9 12.210 -7.897 3.089 56 H GLU 10 HN GLU 10 9.688 -2.956 -1.706 57 HA GLU 10 HA GLU 10 7.135 -2.202 -1.689 58 HB2 GLU 10 HB2 GLU 10 9.218 -1.145 -2.781 59 HB3 GLU 10 HB1 GLU 10 8.692 -1.969 -4.241 60 HG2 GLU 10 HG2 GLU 10 6.505 -0.811 -3.991 61 HG3 GLU 10 HG1 GLU 10 7.219 0.135 -2.688 62 H ASP 11 HN ASP 11 5.326 -3.243 -2.094 63 HA ASP 11 HA ASP 11 5.086 -4.781 -4.589 64 HB2 ASP 11 HB2 ASP 11 5.299 -6.249 -2.527 65 HB3 ASP 11 HB1 ASP 11 3.766 -5.573 -1.986 66 H ASP 12 HN ASP 12 3.764 -3.691 -5.798 67 HA ASP 12 HA ASP 12 2.071 -1.626 -5.001 68 HB2 ASP 12 HB2 ASP 12 2.891 -1.747 -7.258 69 HB3 ASP 12 HB1 ASP 12 2.115 -3.301 -7.514 70 H LEU 13 HN LEU 13 1.284 -4.964 -5.907 71 HA LEU 13 HA LEU 13 -1.513 -4.460 -5.707 72 HB2 LEU 13 HB2 LEU 13 -0.409 -6.123 -7.246 73 HB3 LEU 13 HB1 LEU 13 -0.199 -7.156 -5.845 74 HG LEU 13 HG LEU 13 -2.649 -7.187 -5.507 75 HD11 LEU 13 HD11 LEU 13 -3.233 -5.066 -6.488 76 HD12 LEU 13 HD12 LEU 13 -4.100 -6.359 -7.317 77 HD13 LEU 13 HD13 LEU 13 -2.693 -5.614 -8.076 78 HD21 LEU 13 HD21 LEU 13 -3.176 -8.634 -7.391 79 HD22 LEU 13 HD22 LEU 13 -1.546 -8.954 -6.798 80 HD23 LEU 13 HD23 LEU 13 -1.780 -8.018 -8.274 81 H LYS 14 HN LYS 14 0.896 -5.917 -3.574 82 HA LYS 14 HA LYS 14 -0.881 -7.110 -1.745 83 HB2 LYS 14 HB2 LYS 14 1.549 -7.499 -1.702 84 HB3 LYS 14 HB1 LYS 14 1.812 -5.835 -1.198 85 HG2 LYS 14 HG2 LYS 14 1.971 -7.026 0.780 86 HG3 LYS 14 HG1 LYS 14 0.315 -6.423 0.805 87 HD2 LYS 14 HD2 LYS 14 0.057 -8.638 1.430 88 HD3 LYS 14 HD1 LYS 14 -0.264 -8.693 -0.303 89 HE2 LYS 14 HE2 LYS 14 1.990 -9.448 -0.736 90 HE3 LYS 14 HE1 LYS 14 2.403 -9.290 0.971 91 HZ1 LYS 14 HZ1 LYS 14 1.955 -11.580 0.419 92 HZ2 LYS 14 HZ2 LYS 14 0.427 -11.182 -0.185 93 HZ3 LYS 14 HZ3 LYS 14 0.754 -11.009 1.464 94 H CYS 15 HN CYS 15 0.435 -3.811 -1.873 95 HA CYS 15 HA CYS 15 -0.854 -2.936 0.506 96 HB2 CYS 15 HB2 CYS 15 1.076 -1.745 -0.480 97 HB3 CYS 15 HB1 CYS 15 0.086 -1.299 -1.864 98 H HIS 16 HN HIS 16 -1.663 -2.689 -2.935 99 HA HIS 16 HA HIS 16 -4.118 -1.397 -2.765 100 HB2 HIS 16 HB2 HIS 16 -3.003 -1.850 -4.883 101 HB3 HIS 16 HB1 HIS 16 -3.187 -3.582 -4.647 102 HD1 HIS 16 HD1 HIS 16 -5.031 -0.551 -5.789 103 HD2 HIS 16 HD2 HIS 16 -5.726 -4.594 -5.202 104 HE1 HIS 16 HE1 HIS 16 -7.239 -1.015 -6.882 105 HE2 HIS 16 HE2 HIS 16 -7.469 -3.524 -6.786 106 H ASN 17 HN ASN 17 -3.439 -4.872 -2.712 107 HA ASN 17 HA ASN 17 -6.036 -5.807 -2.321 108 HB2 ASN 17 HB2 ASN 17 -3.324 -6.948 -1.723 109 HB3 ASN 17 HB1 ASN 17 -4.777 -7.825 -1.273 110 HD21 ASN 17 HD21 ASN 17 -2.749 -8.602 -3.136 111 HD22 ASN 17 HD22 ASN 17 -3.520 -8.766 -4.673 112 H HIS 18 HN HIS 18 -3.608 -4.783 0.031 113 HA HIS 18 HA HIS 18 -4.896 -5.714 2.333 114 HB2 HIS 18 HB2 HIS 18 -2.702 -5.067 2.710 115 HB3 HIS 18 HB1 HIS 18 -2.857 -3.586 1.775 116 HD1 HIS 18 HD1 HIS 18 -4.289 -4.956 5.040 117 HD2 HIS 18 HD2 HIS 18 -2.973 -1.413 3.323 118 HE1 HIS 18 HE1 HIS 18 -4.518 -3.214 6.836 119 HE2 HIS 18 HE2 HIS 18 -3.656 -1.082 5.804 120 H CYS 19 HN CYS 19 -5.159 -2.642 0.613 121 HA CYS 19 HA CYS 19 -6.955 -1.500 2.513 122 HB2 CYS 19 HB2 CYS 19 -6.461 -0.658 -0.344 123 HB3 CYS 19 HB1 CYS 19 -7.166 0.324 0.935 124 H LYS 20 HN LYS 20 -7.342 -3.569 -0.235 125 HA LYS 20 HA LYS 20 -9.932 -2.934 -1.053 126 HB2 LYS 20 HB2 LYS 20 -8.659 -5.674 -0.976 127 HB3 LYS 20 HB1 LYS 20 -10.070 -5.226 -1.921 128 HG2 LYS 20 HG2 LYS 20 -7.377 -3.953 -2.260 129 HG3 LYS 20 HG1 LYS 20 -7.916 -5.355 -3.183 130 HD2 LYS 20 HD2 LYS 20 -9.582 -2.877 -3.108 131 HD3 LYS 20 HD1 LYS 20 -8.168 -2.954 -4.158 132 HE2 LYS 20 HE2 LYS 20 -10.114 -3.591 -5.415 133 HE3 LYS 20 HE1 LYS 20 -9.089 -5.000 -5.185 134 HZ1 LYS 20 HZ1 LYS 20 -10.555 -5.823 -3.519 135 HZ2 LYS 20 HZ2 LYS 20 -11.490 -5.421 -4.868 136 HZ3 LYS 20 HZ3 LYS 20 -11.469 -4.398 -3.523 137 H SER 21 HN SER 21 -8.790 -4.868 1.630 138 HA SER 21 HA SER 21 -11.474 -5.833 2.192 139 HB2 SER 21 HB2 SER 21 -8.830 -6.499 3.502 140 HB3 SER 21 HB1 SER 21 -10.366 -7.308 3.816 141 HG SER 21 HG SER 21 -10.382 -7.832 1.531 142 H ILE 22 HN ILE 22 -9.834 -3.087 2.939 143 HA ILE 22 HA ILE 22 -10.781 -2.954 5.696 144 HB ILE 22 HB ILE 22 -9.415 -0.785 4.118 145 HG12 ILE 22 HG12 ILE 22 -8.217 -2.710 6.109 146 HG13 ILE 22 HG11 ILE 22 -7.942 -2.769 4.373 147 HG21 ILE 22 HG21 ILE 22 -10.510 0.231 5.893 148 HG22 ILE 22 HG22 ILE 22 -8.874 -0.016 6.500 149 HG23 ILE 22 HG23 ILE 22 -10.173 -1.103 6.991 150 HD11 ILE 22 HD11 ILE 22 -6.085 -1.733 5.531 151 HD12 ILE 22 HD12 ILE 22 -7.176 -0.528 6.218 152 HD13 ILE 22 HD13 ILE 22 -6.894 -0.573 4.478 153 H LYS 23 HN LYS 23 -12.416 -1.762 6.362 154 HA LYS 23 HA LYS 23 -14.758 -1.640 5.889 155 HB2 LYS 23 HB2 LYS 23 -15.007 0.979 5.722 156 HB3 LYS 23 HB1 LYS 23 -14.468 0.185 7.195 157 HG2 LYS 23 HG2 LYS 23 -12.134 0.632 6.493 158 HG3 LYS 23 HG1 LYS 23 -12.759 1.561 5.134 159 HD2 LYS 23 HD2 LYS 23 -13.159 2.131 8.068 160 HD3 LYS 23 HD1 LYS 23 -12.161 3.044 6.940 161 HE2 LYS 23 HE2 LYS 23 -14.142 3.696 5.687 162 HE3 LYS 23 HE1 LYS 23 -15.156 2.736 6.763 163 HZ1 LYS 23 HZ1 LYS 23 -15.243 5.033 7.408 164 HZ2 LYS 23 HZ2 LYS 23 -13.561 5.122 7.514 165 HZ3 LYS 23 HZ3 LYS 23 -14.423 4.166 8.606 166 H GLY 24 HN GLY 24 -13.997 1.134 3.914 167 HA2 GLY 24 HA2 GLY 24 -15.283 -0.215 1.629 168 HA3 GLY 24 HA1 GLY 24 -15.752 1.404 2.128 169 H TYR 25 HN TYR 25 -12.456 0.352 2.279 170 HA TYR 25 HA TYR 25 -11.556 2.500 0.642 171 HB2 TYR 25 HB2 TYR 25 -10.132 0.032 1.637 172 HB3 TYR 25 HB1 TYR 25 -9.336 1.340 0.773 173 HD1 TYR 25 HD1 TYR 25 -11.696 3.010 2.634 174 HD2 TYR 25 HD2 TYR 25 -8.113 0.780 3.157 175 HE1 TYR 25 HE1 TYR 25 -11.282 4.174 4.760 176 HE2 TYR 25 HE2 TYR 25 -7.695 1.922 5.286 177 HH TYR 25 HH TYR 25 -8.317 4.096 6.351 178 H LYS 26 HN LYS 26 -10.611 2.477 -1.379 179 HA LYS 26 HA LYS 26 -11.843 0.541 -3.182 180 HB2 LYS 26 HB2 LYS 26 -12.225 2.883 -3.641 181 HB3 LYS 26 HB1 LYS 26 -10.494 3.207 -3.616 182 HG2 LYS 26 HG2 LYS 26 -10.161 2.319 -5.701 183 HG3 LYS 26 HG1 LYS 26 -11.554 1.242 -5.588 184 HD2 LYS 26 HD2 LYS 26 -11.961 3.043 -7.197 185 HD3 LYS 26 HD1 LYS 26 -13.065 3.149 -5.828 186 HE2 LYS 26 HE2 LYS 26 -12.394 5.353 -6.164 187 HE3 LYS 26 HE1 LYS 26 -11.364 4.805 -4.844 188 HZ1 LYS 26 HZ1 LYS 26 -9.618 4.367 -6.516 189 HZ2 LYS 26 HZ2 LYS 26 -10.048 5.996 -6.427 190 HZ3 LYS 26 HZ3 LYS 26 -10.607 5.045 -7.706 191 H GLY 27 HN GLY 27 -8.664 2.018 -2.598 192 HA2 GLY 27 HA2 GLY 27 -7.389 -0.466 -3.402 193 HA3 GLY 27 HA1 GLY 27 -7.054 0.916 -4.432 194 H GLY 28 HN GLY 28 -4.842 0.085 -3.499 195 HA2 GLY 28 HA2 GLY 28 -4.156 2.015 -1.420 196 HA3 GLY 28 HA1 GLY 28 -3.844 0.327 -1.051 197 H TYR 29 HN TYR 29 -2.058 2.680 -1.435 198 HA TYR 29 HA TYR 29 -0.132 1.286 -3.087 199 HB2 TYR 29 HB2 TYR 29 0.488 3.525 -4.209 200 HB3 TYR 29 HB1 TYR 29 -0.881 2.622 -4.835 201 HD1 TYR 29 HD1 TYR 29 -1.981 4.497 -5.900 202 HD2 TYR 29 HD2 TYR 29 -0.991 4.646 -1.769 203 HE1 TYR 29 HE1 TYR 29 -3.390 6.493 -5.644 204 HE2 TYR 29 HE2 TYR 29 -2.400 6.639 -1.497 205 HH TYR 29 HH TYR 29 -3.266 8.490 -2.924 206 H CYS 30 HN CYS 30 2.029 1.990 -2.780 207 HA CYS 30 HA CYS 30 2.448 2.744 -0.023 208 HB2 CYS 30 HB2 CYS 30 4.482 1.965 -2.124 209 HB3 CYS 30 HB1 CYS 30 4.699 1.949 -0.376 210 H ALA 31 HN ALA 31 2.411 4.844 0.406 211 HA ALA 31 HA ALA 31 2.546 6.800 -1.620 212 HB1 ALA 31 HB1 ALA 31 2.241 8.420 0.151 213 HB2 ALA 31 HB2 ALA 31 2.660 7.209 1.362 214 HB3 ALA 31 HB3 ALA 31 1.187 7.030 0.410 215 H LYS 32 HN LYS 32 4.778 6.177 1.083 216 HA LYS 32 HA LYS 32 6.731 7.943 -0.149 217 HB2 LYS 32 HB2 LYS 32 6.790 6.434 2.468 218 HB3 LYS 32 HB1 LYS 32 8.056 7.518 1.914 219 HG2 LYS 32 HG2 LYS 32 5.200 8.305 2.459 220 HG3 LYS 32 HG1 LYS 32 6.566 8.585 3.537 221 HD2 LYS 32 HD2 LYS 32 6.334 9.685 0.735 222 HD3 LYS 32 HD1 LYS 32 5.940 10.580 2.204 223 HE2 LYS 32 HE2 LYS 32 8.224 10.376 2.977 224 HE3 LYS 32 HE1 LYS 32 8.635 9.385 1.582 225 HZ1 LYS 32 HZ1 LYS 32 9.342 11.692 1.329 226 HZ2 LYS 32 HZ2 LYS 32 7.740 12.209 1.456 227 HZ3 LYS 32 HZ3 LYS 32 8.216 11.258 0.146 228 H GLY 33 HN GLY 33 6.274 5.889 -1.774 229 HA2 GLY 33 HA2 GLY 33 7.690 4.686 -3.170 230 HA3 GLY 33 HA1 GLY 33 8.901 4.677 -1.892 231 H GLY 34 HN GLY 34 8.108 3.505 0.105 232 HA2 GLY 34 HA2 GLY 34 6.417 1.234 -0.274 233 HA3 GLY 34 HA1 GLY 34 8.107 0.799 -0.418 234 H PHE 35 HN PHE 35 6.942 3.324 1.700 235 HA PHE 35 HA PHE 35 7.789 1.672 3.980 236 HB2 PHE 35 HB2 PHE 35 7.770 4.636 3.497 237 HB3 PHE 35 HB1 PHE 35 7.823 4.000 5.135 238 HD1 PHE 35 HD1 PHE 35 9.645 4.521 2.047 239 HD2 PHE 35 HD2 PHE 35 9.766 2.691 5.887 240 HE1 PHE 35 HE1 PHE 35 12.081 4.254 1.838 241 HE2 PHE 35 HE2 PHE 35 12.201 2.422 5.685 242 HZ PHE 35 HZ PHE 35 13.362 3.180 3.673 243 H VAL 36 HN VAL 36 5.144 3.468 2.642 244 HA VAL 36 HA VAL 36 3.488 2.722 4.945 245 HB VAL 36 HB VAL 36 3.894 5.016 5.332 246 HG11 VAL 36 HG11 VAL 36 3.309 5.495 2.427 247 HG12 VAL 36 HG12 VAL 36 4.873 5.636 3.237 248 HG13 VAL 36 HG13 VAL 36 3.568 6.762 3.627 249 HG21 VAL 36 HG21 VAL 36 1.259 4.842 3.883 250 HG22 VAL 36 HG22 VAL 36 1.714 6.081 5.051 251 HG23 VAL 36 HG23 VAL 36 1.543 4.404 5.568 252 H CYS 37 HN CYS 37 1.537 1.926 4.454 253 HA CYS 37 HA CYS 37 0.865 1.646 1.625 254 HB2 CYS 37 HB2 CYS 37 1.047 -0.401 3.059 255 HB3 CYS 37 HB1 CYS 37 -0.299 0.199 4.020 256 H LYS 38 HN LYS 38 -0.097 3.540 1.152 257 HA LYS 38 HA LYS 38 -2.154 4.669 2.852 258 HB2 LYS 38 HB2 LYS 38 -0.683 6.238 1.799 259 HB3 LYS 38 HB1 LYS 38 -0.944 5.507 0.226 260 HG2 LYS 38 HG2 LYS 38 -2.111 7.586 0.312 261 HG3 LYS 38 HG1 LYS 38 -3.288 6.276 0.288 262 HD2 LYS 38 HD2 LYS 38 -3.523 6.495 2.738 263 HD3 LYS 38 HD1 LYS 38 -2.410 7.865 2.697 264 HE2 LYS 38 HE2 LYS 38 -3.948 9.038 1.174 265 HE3 LYS 38 HE1 LYS 38 -5.073 7.684 1.280 266 HZ1 LYS 38 HZ1 LYS 38 -5.734 9.434 2.767 267 HZ2 LYS 38 HZ2 LYS 38 -4.220 9.445 3.515 268 HZ3 LYS 38 HZ3 LYS 38 -5.233 8.102 3.680 269 H CYS 39 HN CYS 39 -4.298 4.768 2.382 270 HA CYS 39 HA CYS 39 -5.255 3.095 0.155 271 HB2 CYS 39 HB2 CYS 39 -6.535 3.300 2.885 272 HB3 CYS 39 HB1 CYS 39 -7.020 2.242 1.569 273 H TYR 40 HN TYR 40 -7.415 3.666 -0.618 274 HA TYR 40 HA TYR 40 -8.393 6.281 0.201 275 HB2 TYR 40 HB2 TYR 40 -8.550 6.910 -2.269 276 HB3 TYR 40 HB1 TYR 40 -6.946 6.963 -1.541 277 HD1 TYR 40 HD1 TYR 40 -5.225 5.428 -2.229 278 HD2 TYR 40 HD2 TYR 40 -9.133 5.148 -3.887 279 HE1 TYR 40 HE1 TYR 40 -4.370 3.935 -3.981 280 HE2 TYR 40 HE2 TYR 40 -8.282 3.654 -5.643 281 HH TYR 40 HH TYR 40 -5.073 2.337 -5.539 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 2.932 -2.592 8.155 2 H2 GLY 1 HT2 GLY 1 3.155 -1.779 6.690 3 H3 GLY 1 HT3 GLY 1 4.390 -1.798 7.841 4 HA2 GLY 1 HA1 GLY 1 4.890 -3.331 6.053 5 HA3 GLY 1 HA2 GLY 1 4.663 -4.172 7.579 6 H PHE 2 HN PHE 2 3.160 -3.362 4.501 7 HA PHE 2 HA PHE 2 1.511 -5.785 4.781 8 HB2 PHE 2 HB2 PHE 2 0.658 -3.182 3.493 9 HB3 PHE 2 HB1 PHE 2 -0.290 -4.665 3.529 10 HD1 PHE 2 HD1 PHE 2 0.481 -1.637 5.214 11 HD2 PHE 2 HD2 PHE 2 -0.916 -5.607 5.800 12 HE1 PHE 2 HE1 PHE 2 -0.497 -0.967 7.370 13 HE2 PHE 2 HE2 PHE 2 -1.908 -4.945 7.954 14 HZ PHE 2 HZ PHE 2 -1.694 -2.623 8.744 15 H GLY 3 HN GLY 3 3.635 -6.438 3.724 16 HA2 GLY 3 HA2 GLY 3 4.404 -7.498 1.786 17 HA3 GLY 3 HA1 GLY 3 3.199 -6.616 0.855 18 H CYS 4 HN CYS 4 3.682 -4.061 1.357 19 HA CYS 4 HA CYS 4 6.213 -3.541 0.078 20 HB2 CYS 4 HB2 CYS 4 3.956 -2.329 -0.295 21 HB3 CYS 4 HB1 CYS 4 4.332 -1.461 1.182 22 H ASN 5 HN ASN 5 7.979 -3.556 1.267 23 HA ASN 5 HA ASN 5 7.857 -2.589 4.052 24 HB2 ASN 5 HB2 ASN 5 9.622 -4.772 2.911 25 HB3 ASN 5 HB1 ASN 5 9.668 -4.186 4.569 26 HD21 ASN 5 HD21 ASN 5 6.886 -3.929 4.925 27 HD22 ASN 5 HD22 ASN 5 6.216 -5.525 4.996 28 H GLY 6 HN GLY 6 8.562 -1.195 1.492 29 HA2 GLY 6 HA2 GLY 6 10.313 0.647 1.927 30 HA3 GLY 6 HA1 GLY 6 11.430 -0.712 1.902 31 HA PRO 7 HA PRO 7 10.909 1.382 -2.368 32 HB2 PRO 7 HB2 PRO 7 13.687 0.835 -2.726 33 HB3 PRO 7 HB1 PRO 7 12.916 2.409 -2.532 34 HG2 PRO 7 HG2 PRO 7 14.350 0.753 -0.566 35 HG3 PRO 7 HG1 PRO 7 14.058 2.499 -0.566 36 HD2 PRO 7 HD2 PRO 7 12.804 0.793 1.123 37 HD3 PRO 7 HD1 PRO 7 12.047 2.286 0.531 38 H TRP 8 HN TRP 8 13.244 -1.207 -1.674 39 HA TRP 8 HA TRP 8 12.863 -2.495 -4.181 40 HB2 TRP 8 HB2 TRP 8 13.975 -4.136 -2.013 41 HB3 TRP 8 HB1 TRP 8 14.677 -3.705 -3.569 42 HD1 TRP 8 HD1 TRP 8 14.463 -2.507 0.055 43 HE1 TRP 8 HE1 TRP 8 16.291 -0.739 0.455 44 HE3 TRP 8 HE3 TRP 8 16.115 -1.958 -4.752 45 HZ2 TRP 8 HZ2 TRP 8 18.179 0.696 -1.072 46 HZ3 TRP 8 HZ3 TRP 8 17.934 -0.363 -5.198 47 HH2 TRP 8 HH2 TRP 8 18.944 0.937 -3.394 48 H GLN 9 HN GLN 9 11.359 -2.699 -1.109 49 HA GLN 9 HA GLN 9 10.276 -5.359 -1.518 50 HB2 GLN 9 HB2 GLN 9 9.855 -3.355 0.688 51 HB3 GLN 9 HB1 GLN 9 9.354 -5.041 0.725 52 HG2 GLN 9 HG2 GLN 9 12.216 -4.217 0.409 53 HG3 GLN 9 HG1 GLN 9 11.472 -4.442 1.979 54 HE21 GLN 9 HE21 GLN 9 12.791 -6.153 2.521 55 HE22 GLN 9 HE22 GLN 9 12.658 -7.707 1.779 56 H GLU 10 HN GLU 10 9.484 -2.354 -2.560 57 HA GLU 10 HA GLU 10 6.814 -1.984 -2.035 58 HB2 GLU 10 HB2 GLU 10 8.618 -1.141 -4.206 59 HB3 GLU 10 HB1 GLU 10 6.900 -1.077 -4.574 60 HG2 GLU 10 HG2 GLU 10 6.624 0.206 -2.413 61 HG3 GLU 10 HG1 GLU 10 8.384 0.355 -2.397 62 H ASP 11 HN ASP 11 5.043 -2.995 -2.445 63 HA ASP 11 HA ASP 11 4.738 -4.456 -4.951 64 HB2 ASP 11 HB2 ASP 11 5.309 -6.040 -2.990 65 HB3 ASP 11 HB1 ASP 11 3.701 -5.649 -2.385 66 H ASP 12 HN ASP 12 3.355 -3.091 -5.806 67 HA ASP 12 HA ASP 12 1.654 -1.339 -4.522 68 HB2 ASP 12 HB2 ASP 12 2.351 -1.167 -6.878 69 HB3 ASP 12 HB1 ASP 12 1.319 -2.532 -7.277 70 H LEU 13 HN LEU 13 0.955 -4.574 -5.751 71 HA LEU 13 HA LEU 13 -1.844 -4.313 -5.362 72 HB2 LEU 13 HB2 LEU 13 -0.720 -5.839 -7.013 73 HB3 LEU 13 HB1 LEU 13 -0.322 -6.884 -5.663 74 HG LEU 13 HG LEU 13 -2.736 -7.136 -5.164 75 HD11 LEU 13 HD11 LEU 13 -4.367 -6.425 -6.864 76 HD12 LEU 13 HD12 LEU 13 -3.085 -5.542 -7.695 77 HD13 LEU 13 HD13 LEU 13 -3.573 -5.067 -6.067 78 HD21 LEU 13 HD21 LEU 13 -1.904 -7.851 -7.972 79 HD22 LEU 13 HD22 LEU 13 -3.266 -8.554 -7.099 80 HD23 LEU 13 HD23 LEU 13 -1.622 -8.805 -6.515 81 H LYS 14 HN LYS 14 0.790 -5.557 -3.377 82 HA LYS 14 HA LYS 14 -0.837 -6.876 -1.470 83 HB2 LYS 14 HB2 LYS 14 1.906 -5.627 -1.290 84 HB3 LYS 14 HB1 LYS 14 1.142 -6.381 0.099 85 HG2 LYS 14 HG2 LYS 14 1.665 -7.782 -2.511 86 HG3 LYS 14 HG1 LYS 14 2.741 -7.841 -1.115 87 HD2 LYS 14 HD2 LYS 14 -0.140 -8.740 -1.125 88 HD3 LYS 14 HD1 LYS 14 1.255 -9.809 -1.266 89 HE2 LYS 14 HE2 LYS 14 2.043 -9.046 0.932 90 HE3 LYS 14 HE1 LYS 14 0.624 -8.012 1.073 91 HZ1 LYS 14 HZ1 LYS 14 0.601 -10.972 0.870 92 HZ2 LYS 14 HZ2 LYS 14 -0.769 -9.987 0.978 93 HZ3 LYS 14 HZ3 LYS 14 0.317 -10.069 2.272 94 H CYS 15 HN CYS 15 0.419 -3.531 -1.592 95 HA CYS 15 HA CYS 15 -0.847 -2.653 0.766 96 HB2 CYS 15 HB2 CYS 15 -0.101 -1.131 -1.739 97 HB3 CYS 15 HB1 CYS 15 -0.592 -0.393 -0.232 98 H HIS 16 HN HIS 16 -1.797 -2.677 -2.621 99 HA HIS 16 HA HIS 16 -4.291 -1.473 -2.476 100 HB2 HIS 16 HB2 HIS 16 -3.113 -2.050 -4.562 101 HB3 HIS 16 HB1 HIS 16 -3.368 -3.757 -4.236 102 HD1 HIS 16 HD1 HIS 16 -5.059 -0.726 -5.570 103 HD2 HIS 16 HD2 HIS 16 -5.945 -4.701 -4.751 104 HE1 HIS 16 HE1 HIS 16 -7.289 -1.157 -6.643 105 HE2 HIS 16 HE2 HIS 16 -7.655 -3.632 -6.369 106 H ASN 17 HN ASN 17 -3.520 -4.923 -2.322 107 HA ASN 17 HA ASN 17 -6.070 -5.921 -1.851 108 HB2 ASN 17 HB2 ASN 17 -3.301 -6.932 -1.303 109 HB3 ASN 17 HB1 ASN 17 -4.684 -7.854 -0.747 110 HD21 ASN 17 HD21 ASN 17 -2.686 -8.553 -2.701 111 HD22 ASN 17 HD22 ASN 17 -3.527 -8.855 -4.176 112 H HIS 18 HN HIS 18 -3.677 -4.698 0.441 113 HA HIS 18 HA HIS 18 -4.943 -5.583 2.789 114 HB2 HIS 18 HB2 HIS 18 -2.768 -4.834 3.141 115 HB3 HIS 18 HB1 HIS 18 -2.989 -3.401 2.144 116 HD1 HIS 18 HD1 HIS 18 -4.356 -4.710 5.466 117 HD2 HIS 18 HD2 HIS 18 -3.230 -1.170 3.603 118 HE1 HIS 18 HE1 HIS 18 -4.701 -2.909 7.183 119 HE2 HIS 18 HE2 HIS 18 -3.947 -0.774 6.064 120 H CYS 19 HN CYS 19 -5.268 -2.610 0.911 121 HA CYS 19 HA CYS 19 -7.090 -1.396 2.729 122 HB2 CYS 19 HB2 CYS 19 -6.655 -0.742 -0.191 123 HB3 CYS 19 HB1 CYS 19 -7.339 0.315 1.039 124 H LYS 20 HN LYS 20 -7.403 -3.609 0.078 125 HA LYS 20 HA LYS 20 -10.038 -3.133 -0.701 126 HB2 LYS 20 HB2 LYS 20 -8.599 -5.785 -0.633 127 HB3 LYS 20 HB1 LYS 20 -10.050 -5.427 -1.556 128 HG2 LYS 20 HG2 LYS 20 -7.419 -4.038 -1.934 129 HG3 LYS 20 HG1 LYS 20 -7.953 -5.422 -2.885 130 HD2 LYS 20 HD2 LYS 20 -9.604 -2.927 -2.686 131 HD3 LYS 20 HD1 LYS 20 -8.268 -3.050 -3.830 132 HE2 LYS 20 HE2 LYS 20 -10.345 -3.611 -4.933 133 HE3 LYS 20 HE1 LYS 20 -9.320 -5.038 -4.821 134 HZ1 LYS 20 HZ1 LYS 20 -11.684 -5.447 -4.311 135 HZ2 LYS 20 HZ2 LYS 20 -11.552 -4.443 -2.956 136 HZ3 LYS 20 HZ3 LYS 20 -10.647 -5.872 -3.046 137 H SER 21 HN SER 21 -8.733 -4.934 1.993 138 HA SER 21 HA SER 21 -11.274 -6.155 2.628 139 HB2 SER 21 HB2 SER 21 -8.686 -6.207 4.193 140 HB3 SER 21 HB1 SER 21 -10.057 -7.305 4.371 141 HG SER 21 HG SER 21 -9.420 -7.400 1.842 142 H ILE 22 HN ILE 22 -9.992 -3.144 3.147 143 HA ILE 22 HA ILE 22 -11.191 -2.844 5.804 144 HB ILE 22 HB ILE 22 -9.571 -0.832 4.265 145 HG12 ILE 22 HG12 ILE 22 -8.719 -2.714 6.467 146 HG13 ILE 22 HG11 ILE 22 -8.185 -2.782 4.793 147 HG21 ILE 22 HG21 ILE 22 -9.283 0.085 6.646 148 HG22 ILE 22 HG22 ILE 22 -10.706 -0.891 7.027 149 HG23 ILE 22 HG23 ILE 22 -10.802 0.375 5.799 150 HD11 ILE 22 HD11 ILE 22 -7.646 -0.549 6.729 151 HD12 ILE 22 HD12 ILE 22 -7.104 -0.619 5.051 152 HD13 ILE 22 HD13 ILE 22 -6.500 -1.790 6.225 153 H LYS 23 HN LYS 23 -12.851 -1.607 6.200 154 HA LYS 23 HA LYS 23 -15.102 -1.291 5.488 155 HB2 LYS 23 HB2 LYS 23 -15.133 1.321 5.210 156 HB3 LYS 23 HB1 LYS 23 -14.741 0.564 6.746 157 HG2 LYS 23 HG2 LYS 23 -12.407 0.917 6.388 158 HG3 LYS 23 HG1 LYS 23 -12.691 1.504 4.750 159 HD2 LYS 23 HD2 LYS 23 -12.287 3.356 6.230 160 HD3 LYS 23 HD1 LYS 23 -13.965 3.394 5.690 161 HE2 LYS 23 HE2 LYS 23 -14.679 2.414 7.797 162 HE3 LYS 23 HE1 LYS 23 -13.005 2.297 8.333 163 HZ1 LYS 23 HZ1 LYS 23 -14.462 4.817 7.745 164 HZ2 LYS 23 HZ2 LYS 23 -12.853 4.710 8.249 165 HZ3 LYS 23 HZ3 LYS 23 -14.097 4.222 9.285 166 H GLY 24 HN GLY 24 -14.080 1.374 3.529 167 HA2 GLY 24 HA2 GLY 24 -15.284 0.034 1.193 168 HA3 GLY 24 HA1 GLY 24 -15.659 1.693 1.632 169 H TYR 25 HN TYR 25 -12.422 0.505 1.986 170 HA TYR 25 HA TYR 25 -11.347 2.518 0.310 171 HB2 TYR 25 HB2 TYR 25 -10.089 -0.030 1.342 172 HB3 TYR 25 HB1 TYR 25 -9.207 1.253 0.527 173 HD1 TYR 25 HD1 TYR 25 -11.517 3.025 2.305 174 HD2 TYR 25 HD2 TYR 25 -8.111 0.577 2.977 175 HE1 TYR 25 HE1 TYR 25 -11.146 4.140 4.460 176 HE2 TYR 25 HE2 TYR 25 -7.732 1.679 5.136 177 HH TYR 25 HH TYR 25 -8.260 3.822 6.225 178 H LYS 26 HN LYS 26 -10.515 2.450 -1.738 179 HA LYS 26 HA LYS 26 -11.667 0.405 -3.467 180 HB2 LYS 26 HB2 LYS 26 -11.961 2.753 -4.092 181 HB3 LYS 26 HB1 LYS 26 -10.212 2.982 -4.088 182 HG2 LYS 26 HG2 LYS 26 -9.933 1.643 -6.003 183 HG3 LYS 26 HG1 LYS 26 -11.572 0.999 -5.892 184 HD2 LYS 26 HD2 LYS 26 -11.622 2.585 -7.640 185 HD3 LYS 26 HD1 LYS 26 -12.389 3.368 -6.261 186 HE2 LYS 26 HE2 LYS 26 -10.966 4.990 -7.190 187 HE3 LYS 26 HE1 LYS 26 -10.116 4.386 -5.770 188 HZ1 LYS 26 HZ1 LYS 26 -8.580 4.538 -7.566 189 HZ2 LYS 26 HZ2 LYS 26 -9.596 3.673 -8.599 190 HZ3 LYS 26 HZ3 LYS 26 -8.868 2.893 -7.292 191 H GLY 27 HN GLY 27 -8.545 1.827 -2.655 192 HA2 GLY 27 HA2 GLY 27 -7.223 -0.647 -3.315 193 HA3 GLY 27 HA1 GLY 27 -6.863 0.665 -4.424 194 H GLY 28 HN GLY 28 -4.688 0.003 -3.467 195 HA2 GLY 28 HA2 GLY 28 -3.993 2.022 -1.516 196 HA3 GLY 28 HA1 GLY 28 -3.713 0.362 -1.004 197 H TYR 29 HN TYR 29 -1.663 2.239 -1.252 198 HA TYR 29 HA TYR 29 0.075 0.883 -3.099 199 HB2 TYR 29 HB2 TYR 29 0.628 2.784 -4.489 200 HB3 TYR 29 HB1 TYR 29 -1.104 2.512 -4.580 201 HD1 TYR 29 HD1 TYR 29 1.429 4.919 -4.090 202 HD2 TYR 29 HD2 TYR 29 -2.557 3.970 -2.945 203 HE1 TYR 29 HE1 TYR 29 1.042 7.273 -3.503 204 HE2 TYR 29 HE2 TYR 29 -2.953 6.322 -2.355 205 HH TYR 29 HH TYR 29 -0.752 8.827 -3.212 206 H CYS 30 HN CYS 30 2.308 1.573 -2.856 207 HA CYS 30 HA CYS 30 2.916 2.365 -0.181 208 HB2 CYS 30 HB2 CYS 30 4.913 2.303 -2.444 209 HB3 CYS 30 HB1 CYS 30 5.177 2.000 -0.735 210 H ALA 31 HN ALA 31 2.923 4.388 0.557 211 HA ALA 31 HA ALA 31 2.637 6.533 -1.390 212 HB1 ALA 31 HB1 ALA 31 2.406 6.612 1.610 213 HB2 ALA 31 HB2 ALA 31 1.072 6.355 0.483 214 HB3 ALA 31 HB3 ALA 31 1.939 7.891 0.489 215 H LYS 32 HN LYS 32 4.858 5.570 1.163 216 HA LYS 32 HA LYS 32 6.662 7.690 0.238 217 HB2 LYS 32 HB2 LYS 32 6.005 6.941 3.079 218 HB3 LYS 32 HB1 LYS 32 7.431 7.873 2.650 219 HG2 LYS 32 HG2 LYS 32 4.829 8.853 1.633 220 HG3 LYS 32 HG1 LYS 32 5.132 9.003 3.364 221 HD2 LYS 32 HD2 LYS 32 5.825 11.028 2.224 222 HD3 LYS 32 HD1 LYS 32 7.232 10.193 2.875 223 HE2 LYS 32 HE2 LYS 32 7.748 10.998 0.670 224 HE3 LYS 32 HE1 LYS 32 7.653 9.242 0.631 225 HZ1 LYS 32 HZ1 LYS 32 5.492 11.088 -0.227 226 HZ2 LYS 32 HZ2 LYS 32 5.451 9.399 -0.327 227 HZ3 LYS 32 HZ3 LYS 32 6.547 10.277 -1.268 228 H GLY 33 HN GLY 33 7.332 5.670 -1.020 229 HA2 GLY 33 HA2 GLY 33 9.250 4.489 -1.470 230 HA3 GLY 33 HA1 GLY 33 9.905 5.071 0.052 231 H GLY 34 HN GLY 34 6.967 3.198 -0.437 232 HA2 GLY 34 HA2 GLY 34 6.462 1.016 0.089 233 HA3 GLY 34 HA1 GLY 34 8.172 0.704 0.264 234 H PHE 35 HN PHE 35 7.658 3.241 2.233 235 HA PHE 35 HA PHE 35 7.782 1.530 4.533 236 HB2 PHE 35 HB2 PHE 35 7.900 4.522 4.184 237 HB3 PHE 35 HB1 PHE 35 7.974 3.745 5.761 238 HD1 PHE 35 HD1 PHE 35 9.832 4.793 2.910 239 HD2 PHE 35 HD2 PHE 35 9.817 2.002 6.119 240 HE1 PHE 35 HE1 PHE 35 12.247 4.444 2.609 241 HE2 PHE 35 HE2 PHE 35 12.230 1.649 5.824 242 HZ PHE 35 HZ PHE 35 13.450 2.868 4.067 243 H VAL 36 HN VAL 36 5.267 2.987 2.829 244 HA VAL 36 HA VAL 36 3.389 2.271 4.911 245 HB VAL 36 HB VAL 36 3.683 4.472 5.632 246 HG11 VAL 36 HG11 VAL 36 3.664 6.432 4.130 247 HG12 VAL 36 HG12 VAL 36 3.631 5.327 2.754 248 HG13 VAL 36 HG13 VAL 36 5.018 5.336 3.848 249 HG21 VAL 36 HG21 VAL 36 1.336 4.563 3.746 250 HG22 VAL 36 HG22 VAL 36 1.595 5.631 5.126 251 HG23 VAL 36 HG23 VAL 36 1.326 3.906 5.384 252 H CYS 37 HN CYS 37 1.608 1.418 4.096 253 HA CYS 37 HA CYS 37 1.057 1.661 1.239 254 HB2 CYS 37 HB2 CYS 37 -0.051 -0.198 3.355 255 HB3 CYS 37 HB1 CYS 37 -0.581 -0.185 1.684 256 H LYS 38 HN LYS 38 0.132 3.694 1.154 257 HA LYS 38 HA LYS 38 -2.037 4.485 2.847 258 HB2 LYS 38 HB2 LYS 38 -0.544 6.114 1.706 259 HB3 LYS 38 HB1 LYS 38 -1.208 5.605 0.158 260 HG2 LYS 38 HG2 LYS 38 -3.488 6.257 1.213 261 HG3 LYS 38 HG1 LYS 38 -2.497 7.182 2.341 262 HD2 LYS 38 HD2 LYS 38 -1.530 8.441 0.544 263 HD3 LYS 38 HD1 LYS 38 -2.320 7.407 -0.647 264 HE2 LYS 38 HE2 LYS 38 -3.510 9.507 -0.457 265 HE3 LYS 38 HE1 LYS 38 -4.511 8.183 0.137 266 HZ1 LYS 38 HZ1 LYS 38 -2.968 10.096 1.809 267 HZ2 LYS 38 HZ2 LYS 38 -3.884 8.805 2.403 268 HZ3 LYS 38 HZ3 LYS 38 -4.646 10.081 1.602 269 H CYS 39 HN CYS 39 -4.219 4.945 2.001 270 HA CYS 39 HA CYS 39 -5.054 3.023 -0.063 271 HB2 CYS 39 HB2 CYS 39 -6.556 3.598 2.499 272 HB3 CYS 39 HB1 CYS 39 -7.014 2.448 1.250 273 H TYR 40 HN TYR 40 -7.123 3.586 -1.088 274 HA TYR 40 HA TYR 40 -7.999 6.328 -0.687 275 HB2 TYR 40 HB2 TYR 40 -7.936 6.664 -3.209 276 HB3 TYR 40 HB1 TYR 40 -6.383 6.708 -2.379 277 HD1 TYR 40 HD1 TYR 40 -4.663 5.179 -2.955 278 HD2 TYR 40 HD2 TYR 40 -8.589 4.592 -4.478 279 HE1 TYR 40 HE1 TYR 40 -3.810 3.443 -4.474 280 HE2 TYR 40 HE2 TYR 40 -7.746 2.859 -5.995 281 HH TYR 40 HH TYR 40 -5.625 2.209 -7.055 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 4.108 -0.902 7.953 2 H2 GLY 1 HT2 GLY 1 3.079 -2.156 8.427 3 H3 GLY 1 HT3 GLY 1 2.605 -1.094 7.205 4 HA2 GLY 1 HA1 GLY 1 4.376 -1.899 5.773 5 HA3 GLY 1 HA2 GLY 1 4.873 -2.995 7.053 6 H PHE 2 HN PHE 2 2.740 -2.457 4.437 7 HA PHE 2 HA PHE 2 1.568 -5.107 4.931 8 HB2 PHE 2 HB2 PHE 2 0.238 -2.719 3.641 9 HB3 PHE 2 HB1 PHE 2 -0.455 -4.336 3.714 10 HD1 PHE 2 HD1 PHE 2 -0.070 -1.220 5.392 11 HD2 PHE 2 HD2 PHE 2 -0.858 -5.350 5.987 12 HE1 PHE 2 HE1 PHE 2 -1.062 -0.706 7.584 13 HE2 PHE 2 HE2 PHE 2 -1.862 -4.851 8.176 14 HZ PHE 2 HZ PHE 2 -1.959 -2.526 8.982 15 H GLY 3 HN GLY 3 3.709 -5.463 3.720 16 HA2 GLY 3 HA2 GLY 3 3.996 -6.865 1.769 17 HA3 GLY 3 HA1 GLY 3 2.963 -5.759 0.888 18 H CYS 4 HN CYS 4 3.970 -3.352 1.166 19 HA CYS 4 HA CYS 4 6.143 -3.360 -0.574 20 HB2 CYS 4 HB2 CYS 4 4.437 -1.418 0.545 21 HB3 CYS 4 HB1 CYS 4 6.080 -0.894 0.895 22 H ASN 5 HN ASN 5 6.261 -2.228 2.836 23 HA ASN 5 HA ASN 5 7.920 -2.336 4.402 24 HB2 ASN 5 HB2 ASN 5 8.777 -4.777 2.819 25 HB3 ASN 5 HB1 ASN 5 9.319 -4.364 4.438 26 HD21 ASN 5 HD21 ASN 5 6.870 -3.481 5.461 27 HD22 ASN 5 HD22 ASN 5 5.849 -4.866 5.654 28 H GLY 6 HN GLY 6 8.409 -0.748 2.026 29 HA2 GLY 6 HA2 GLY 6 10.264 0.698 1.719 30 HA3 GLY 6 HA1 GLY 6 11.322 -0.582 2.290 31 HA PRO 7 HA PRO 7 11.232 0.119 -2.489 32 HB2 PRO 7 HB2 PRO 7 14.043 0.179 -2.452 33 HB3 PRO 7 HB1 PRO 7 12.965 1.563 -2.661 34 HG2 PRO 7 HG2 PRO 7 14.373 0.579 -0.236 35 HG3 PRO 7 HG1 PRO 7 13.961 2.237 -0.704 36 HD2 PRO 7 HD2 PRO 7 12.613 0.953 1.211 37 HD3 PRO 7 HD1 PRO 7 11.790 2.049 0.081 38 H TRP 8 HN TRP 8 13.257 -1.822 -0.368 39 HA TRP 8 HA TRP 8 14.532 -3.458 -2.191 40 HB2 TRP 8 HB2 TRP 8 13.604 -4.488 0.476 41 HB3 TRP 8 HB1 TRP 8 15.115 -4.802 -0.365 42 HD1 TRP 8 HD1 TRP 8 13.344 -1.903 1.462 43 HE1 TRP 8 HE1 TRP 8 15.150 -0.417 2.553 44 HE3 TRP 8 HE3 TRP 8 17.512 -4.258 -0.321 45 HZ2 TRP 8 HZ2 TRP 8 17.971 -0.271 2.636 46 HZ3 TRP 8 HZ3 TRP 8 19.723 -3.385 0.307 47 HH2 TRP 8 HH2 TRP 8 19.949 -1.432 1.755 48 H GLN 9 HN GLN 9 11.397 -3.844 -0.647 49 HA GLN 9 HA GLN 9 10.918 -6.250 -2.266 50 HB2 GLN 9 HB2 GLN 9 8.854 -5.716 -0.317 51 HB3 GLN 9 HB1 GLN 9 9.888 -7.129 -0.478 52 HG2 GLN 9 HG2 GLN 9 11.669 -5.719 0.711 53 HG3 GLN 9 HG1 GLN 9 10.351 -4.643 1.141 54 HE21 GLN 9 HE21 GLN 9 12.070 -6.269 2.833 55 HE22 GLN 9 HE22 GLN 9 11.021 -7.317 3.723 56 H GLU 10 HN GLU 10 9.058 -3.565 -0.911 57 HA GLU 10 HA GLU 10 7.489 -2.188 -1.741 58 HB2 GLU 10 HB2 GLU 10 9.714 -1.698 -3.040 59 HB3 GLU 10 HB1 GLU 10 8.806 -2.313 -4.414 60 HG2 GLU 10 HG2 GLU 10 7.086 -0.634 -4.048 61 HG3 GLU 10 HG1 GLU 10 7.967 -0.027 -2.644 62 H ASP 11 HN ASP 11 6.344 -4.550 -1.648 63 HA ASP 11 HA ASP 11 5.135 -5.193 -4.191 64 HB2 ASP 11 HB2 ASP 11 5.497 -6.787 -2.152 65 HB3 ASP 11 HB1 ASP 11 4.023 -6.053 -1.532 66 H ASP 12 HN ASP 12 4.177 -3.312 -4.886 67 HA ASP 12 HA ASP 12 2.703 -1.564 -3.215 68 HB2 ASP 12 HB2 ASP 12 3.827 -0.945 -5.374 69 HB3 ASP 12 HB1 ASP 12 2.542 -1.788 -6.225 70 H LEU 13 HN LEU 13 1.806 -4.217 -5.329 71 HA LEU 13 HA LEU 13 -0.968 -3.724 -5.341 72 HB2 LEU 13 HB2 LEU 13 0.272 -5.218 -6.924 73 HB3 LEU 13 HB1 LEU 13 0.369 -6.404 -5.636 74 HG LEU 13 HG LEU 13 -2.146 -6.394 -5.543 75 HD11 LEU 13 HD11 LEU 13 -1.843 -4.811 -8.087 76 HD12 LEU 13 HD12 LEU 13 -2.554 -4.245 -6.577 77 HD13 LEU 13 HD13 LEU 13 -3.342 -5.526 -7.496 78 HD21 LEU 13 HD21 LEU 13 -2.410 -7.780 -7.547 79 HD22 LEU 13 HD22 LEU 13 -0.936 -8.172 -6.663 80 HD23 LEU 13 HD23 LEU 13 -0.850 -7.211 -8.139 81 H LYS 14 HN LYS 14 1.115 -5.528 -3.132 82 HA LYS 14 HA LYS 14 -0.898 -6.780 -1.614 83 HB2 LYS 14 HB2 LYS 14 1.501 -7.286 -1.368 84 HB3 LYS 14 HB1 LYS 14 1.763 -5.696 -0.659 85 HG2 LYS 14 HG2 LYS 14 1.520 -6.835 1.276 86 HG3 LYS 14 HG1 LYS 14 -0.194 -6.598 0.946 87 HD2 LYS 14 HD2 LYS 14 -0.117 -8.852 1.372 88 HD3 LYS 14 HD1 LYS 14 0.054 -8.827 -0.382 89 HE2 LYS 14 HE2 LYS 14 2.421 -9.108 -0.232 90 HE3 LYS 14 HE1 LYS 14 2.392 -8.887 1.521 91 HZ1 LYS 14 HZ1 LYS 14 2.601 -11.222 0.876 92 HZ2 LYS 14 HZ2 LYS 14 1.127 -11.145 0.056 93 HZ3 LYS 14 HZ3 LYS 14 1.171 -10.946 1.733 94 H CYS 15 HN CYS 15 0.603 -3.566 -1.307 95 HA CYS 15 HA CYS 15 -0.815 -2.653 0.909 96 HB2 CYS 15 HB2 CYS 15 0.188 -1.150 -1.518 97 HB3 CYS 15 HB1 CYS 15 -0.338 -0.399 -0.030 98 H HIS 16 HN HIS 16 -1.537 -2.452 -2.548 99 HA HIS 16 HA HIS 16 -4.015 -1.174 -2.436 100 HB2 HIS 16 HB2 HIS 16 -2.747 -1.554 -4.513 101 HB3 HIS 16 HB1 HIS 16 -3.035 -3.283 -4.383 102 HD1 HIS 16 HD1 HIS 16 -4.759 -0.060 -5.240 103 HD2 HIS 16 HD2 HIS 16 -5.492 -4.152 -5.316 104 HE1 HIS 16 HE1 HIS 16 -6.923 -0.335 -6.477 105 HE2 HIS 16 HE2 HIS 16 -7.179 -2.827 -6.762 106 H ASN 17 HN ASN 17 -3.318 -4.645 -2.602 107 HA ASN 17 HA ASN 17 -5.920 -5.608 -2.390 108 HB2 ASN 17 HB2 ASN 17 -3.255 -6.809 -1.652 109 HB3 ASN 17 HB1 ASN 17 -4.753 -7.713 -1.500 110 HD21 ASN 17 HD21 ASN 17 -2.454 -8.219 -3.173 111 HD22 ASN 17 HD22 ASN 17 -3.031 -8.239 -4.799 112 H HIS 18 HN HIS 18 -3.639 -4.708 0.145 113 HA HIS 18 HA HIS 18 -5.024 -5.782 2.328 114 HB2 HIS 18 HB2 HIS 18 -2.862 -5.089 2.832 115 HB3 HIS 18 HB1 HIS 18 -3.043 -3.561 1.980 116 HD1 HIS 18 HD1 HIS 18 -4.426 -5.206 5.132 117 HD2 HIS 18 HD2 HIS 18 -3.437 -1.470 3.610 118 HE1 HIS 18 HE1 HIS 18 -4.899 -3.577 6.988 119 HE2 HIS 18 HE2 HIS 18 -4.195 -1.328 6.082 120 H CYS 19 HN CYS 19 -5.247 -2.569 0.826 121 HA CYS 19 HA CYS 19 -7.150 -1.589 2.700 122 HB2 CYS 19 HB2 CYS 19 -6.602 -0.548 -0.084 123 HB3 CYS 19 HB1 CYS 19 -7.319 0.338 1.257 124 H LYS 20 HN LYS 20 -7.385 -3.503 -0.153 125 HA LYS 20 HA LYS 20 -9.964 -2.867 -1.029 126 HB2 LYS 20 HB2 LYS 20 -8.599 -5.557 -1.152 127 HB3 LYS 20 HB1 LYS 20 -9.967 -5.046 -2.129 128 HG2 LYS 20 HG2 LYS 20 -7.283 -3.713 -2.170 129 HG3 LYS 20 HG1 LYS 20 -7.768 -4.985 -3.290 130 HD2 LYS 20 HD2 LYS 20 -9.414 -2.506 -2.975 131 HD3 LYS 20 HD1 LYS 20 -7.976 -2.509 -3.995 132 HE2 LYS 20 HE2 LYS 20 -9.968 -2.941 -5.320 133 HE3 LYS 20 HE1 LYS 20 -8.906 -4.345 -5.311 134 HZ1 LYS 20 HZ1 LYS 20 -10.338 -5.428 -3.748 135 HZ2 LYS 20 HZ2 LYS 20 -11.280 -4.890 -5.042 136 HZ3 LYS 20 HZ3 LYS 20 -11.301 -4.046 -3.580 137 H SER 21 HN SER 21 -8.848 -4.903 1.572 138 HA SER 21 HA SER 21 -11.504 -6.039 1.953 139 HB2 SER 21 HB2 SER 21 -8.925 -6.663 3.403 140 HB3 SER 21 HB1 SER 21 -10.422 -7.594 3.468 141 HG SER 21 HG SER 21 -10.085 -7.658 1.035 142 H ILE 22 HN ILE 22 -10.102 -3.255 2.846 143 HA ILE 22 HA ILE 22 -11.122 -3.286 5.584 144 HB ILE 22 HB ILE 22 -9.748 -1.029 4.149 145 HG12 ILE 22 HG12 ILE 22 -8.621 -3.032 6.108 146 HG13 ILE 22 HG11 ILE 22 -8.217 -2.940 4.399 147 HG21 ILE 22 HG21 ILE 22 -11.031 -0.150 5.919 148 HG22 ILE 22 HG22 ILE 22 -9.369 -0.229 6.508 149 HG23 ILE 22 HG23 ILE 22 -10.542 -1.444 7.010 150 HD11 ILE 22 HD11 ILE 22 -6.484 -1.954 5.778 151 HD12 ILE 22 HD12 ILE 22 -7.659 -0.833 6.465 152 HD13 ILE 22 HD13 ILE 22 -7.247 -0.736 4.754 153 H LYS 23 HN LYS 23 -12.818 -2.194 6.231 154 HA LYS 23 HA LYS 23 -15.136 -2.041 5.693 155 HB2 LYS 23 HB2 LYS 23 -15.333 0.619 5.604 156 HB3 LYS 23 HB1 LYS 23 -14.977 -0.279 7.068 157 HG2 LYS 23 HG2 LYS 23 -12.633 0.175 6.809 158 HG3 LYS 23 HG1 LYS 23 -12.919 0.969 5.266 159 HD2 LYS 23 HD2 LYS 23 -12.594 2.578 7.077 160 HD3 LYS 23 HD1 LYS 23 -14.209 2.693 6.381 161 HE2 LYS 23 HE2 LYS 23 -14.303 2.842 8.807 162 HE3 LYS 23 HE1 LYS 23 -15.105 1.382 8.238 163 HZ1 LYS 23 HZ1 LYS 23 -13.679 1.025 10.197 164 HZ2 LYS 23 HZ2 LYS 23 -12.330 1.464 9.280 165 HZ3 LYS 23 HZ3 LYS 23 -13.214 0.085 8.871 166 H GLY 24 HN GLY 24 -14.268 0.810 3.839 167 HA2 GLY 24 HA2 GLY 24 -15.527 -0.433 1.484 168 HA3 GLY 24 HA1 GLY 24 -16.075 1.126 2.076 169 H TYR 25 HN TYR 25 -12.711 0.282 2.187 170 HA TYR 25 HA TYR 25 -11.933 2.579 0.738 171 HB2 TYR 25 HB2 TYR 25 -10.371 0.078 1.404 172 HB3 TYR 25 HB1 TYR 25 -9.663 1.537 0.724 173 HD1 TYR 25 HD1 TYR 25 -12.082 2.800 2.737 174 HD2 TYR 25 HD2 TYR 25 -8.381 0.730 3.074 175 HE1 TYR 25 HE1 TYR 25 -11.787 3.715 4.995 176 HE2 TYR 25 HE2 TYR 25 -8.082 1.633 5.340 177 HH TYR 25 HH TYR 25 -10.549 3.086 7.084 178 H LYS 26 HN LYS 26 -10.829 2.723 -1.262 179 HA LYS 26 HA LYS 26 -12.053 1.045 -3.302 180 HB2 LYS 26 HB2 LYS 26 -12.213 3.397 -3.688 181 HB3 LYS 26 HB1 LYS 26 -10.504 3.634 -3.352 182 HG2 LYS 26 HG2 LYS 26 -9.959 2.373 -5.395 183 HG3 LYS 26 HG1 LYS 26 -11.686 2.238 -5.741 184 HD2 LYS 26 HD2 LYS 26 -11.911 4.582 -6.004 185 HD3 LYS 26 HD1 LYS 26 -10.303 4.878 -5.342 186 HE2 LYS 26 HE2 LYS 26 -9.340 3.675 -7.279 187 HE3 LYS 26 HE1 LYS 26 -10.961 3.528 -7.954 188 HZ1 LYS 26 HZ1 LYS 26 -11.105 5.945 -8.001 189 HZ2 LYS 26 HZ2 LYS 26 -9.793 5.394 -8.912 190 HZ3 LYS 26 HZ3 LYS 26 -9.534 6.069 -7.382 191 H GLY 27 HN GLY 27 -8.836 2.118 -2.262 192 HA2 GLY 27 HA2 GLY 27 -7.661 -0.390 -2.991 193 HA3 GLY 27 HA1 GLY 27 -7.250 0.876 -4.131 194 H GLY 28 HN GLY 28 -5.070 0.268 -3.315 195 HA2 GLY 28 HA2 GLY 28 -4.286 2.221 -1.325 196 HA3 GLY 28 HA1 GLY 28 -3.917 0.546 -0.933 197 H TYR 29 HN TYR 29 -1.878 2.356 -1.157 198 HA TYR 29 HA TYR 29 -0.294 1.161 -3.226 199 HB2 TYR 29 HB2 TYR 29 0.216 3.138 -4.508 200 HB3 TYR 29 HB1 TYR 29 -1.530 2.937 -4.491 201 HD1 TYR 29 HD1 TYR 29 1.125 5.204 -4.009 202 HD2 TYR 29 HD2 TYR 29 -2.801 4.303 -2.646 203 HE1 TYR 29 HE1 TYR 29 0.881 7.513 -3.204 204 HE2 TYR 29 HE2 TYR 29 -3.058 6.609 -1.840 205 HH TYR 29 HH TYR 29 -1.001 9.104 -2.733 206 H CYS 30 HN CYS 30 1.947 1.751 -3.075 207 HA CYS 30 HA CYS 30 2.749 2.427 -0.395 208 HB2 CYS 30 HB2 CYS 30 4.486 2.063 -2.847 209 HB3 CYS 30 HB1 CYS 30 4.997 1.961 -1.166 210 H ALA 31 HN ALA 31 2.679 4.485 0.262 211 HA ALA 31 HA ALA 31 2.570 6.605 -1.689 212 HB1 ALA 31 HB1 ALA 31 2.478 6.758 1.318 213 HB2 ALA 31 HB2 ALA 31 1.083 6.589 0.253 214 HB3 ALA 31 HB3 ALA 31 2.066 8.051 0.195 215 H LYS 32 HN LYS 32 4.780 5.700 0.935 216 HA LYS 32 HA LYS 32 6.605 7.813 0.028 217 HB2 LYS 32 HB2 LYS 32 6.556 6.308 2.649 218 HB3 LYS 32 HB1 LYS 32 7.703 7.567 2.225 219 HG2 LYS 32 HG2 LYS 32 4.733 7.964 2.420 220 HG3 LYS 32 HG1 LYS 32 5.878 8.342 3.701 221 HD2 LYS 32 HD2 LYS 32 5.893 9.549 0.937 222 HD3 LYS 32 HD1 LYS 32 5.210 10.315 2.372 223 HE2 LYS 32 HE2 LYS 32 8.075 9.472 2.044 224 HE3 LYS 32 HE1 LYS 32 7.478 11.115 1.849 225 HZ1 LYS 32 HZ1 LYS 32 8.415 10.824 4.032 226 HZ2 LYS 32 HZ2 LYS 32 7.407 9.505 4.340 227 HZ3 LYS 32 HZ3 LYS 32 6.744 11.051 4.174 228 H GLY 33 HN GLY 33 6.591 5.666 -1.623 229 HA2 GLY 33 HA2 GLY 33 8.145 4.379 -2.716 230 HA3 GLY 33 HA1 GLY 33 9.351 5.034 -1.621 231 H GLY 34 HN GLY 34 6.500 3.174 -0.716 232 HA2 GLY 34 HA2 GLY 34 6.438 0.829 -0.338 233 HA3 GLY 34 HA1 GLY 34 8.189 0.826 -0.250 234 H PHE 35 HN PHE 35 7.697 3.340 1.568 235 HA PHE 35 HA PHE 35 8.017 1.837 3.982 236 HB2 PHE 35 HB2 PHE 35 7.984 4.767 3.327 237 HB3 PHE 35 HB1 PHE 35 8.026 4.217 4.997 238 HD1 PHE 35 HD1 PHE 35 9.837 4.195 1.786 239 HD2 PHE 35 HD2 PHE 35 10.023 3.378 5.957 240 HE1 PHE 35 HE1 PHE 35 12.280 3.947 1.626 241 HE2 PHE 35 HE2 PHE 35 12.465 3.131 5.803 242 HZ PHE 35 HZ PHE 35 13.594 3.396 3.630 243 H VAL 36 HN VAL 36 5.262 2.857 2.367 244 HA VAL 36 HA VAL 36 3.603 2.277 4.628 245 HB VAL 36 HB VAL 36 4.013 4.555 5.199 246 HG11 VAL 36 HG11 VAL 36 3.270 5.226 2.373 247 HG12 VAL 36 HG12 VAL 36 4.849 5.414 3.140 248 HG13 VAL 36 HG13 VAL 36 3.489 6.414 3.660 249 HG21 VAL 36 HG21 VAL 36 1.314 4.346 3.882 250 HG22 VAL 36 HG22 VAL 36 1.770 5.529 5.109 251 HG23 VAL 36 HG23 VAL 36 1.718 3.812 5.514 252 H CYS 37 HN CYS 37 1.731 1.476 4.039 253 HA CYS 37 HA CYS 37 0.941 1.565 1.228 254 HB2 CYS 37 HB2 CYS 37 -0.057 -0.161 3.503 255 HB3 CYS 37 HB1 CYS 37 -0.524 -0.318 1.822 256 H LYS 38 HN LYS 38 0.001 3.621 1.181 257 HA LYS 38 HA LYS 38 -2.033 4.346 3.082 258 HB2 LYS 38 HB2 LYS 38 -0.591 6.050 1.976 259 HB3 LYS 38 HB1 LYS 38 -1.351 5.654 0.439 260 HG2 LYS 38 HG2 LYS 38 -3.560 6.213 1.673 261 HG3 LYS 38 HG1 LYS 38 -2.508 7.048 2.815 262 HD2 LYS 38 HD2 LYS 38 -1.698 8.504 1.130 263 HD3 LYS 38 HD1 LYS 38 -2.434 7.527 -0.140 264 HE2 LYS 38 HE2 LYS 38 -3.712 9.570 0.272 265 HE3 LYS 38 HE1 LYS 38 -4.652 8.125 0.639 266 HZ1 LYS 38 HZ1 LYS 38 -4.190 8.460 2.980 267 HZ2 LYS 38 HZ2 LYS 38 -4.919 9.837 2.325 268 HZ3 LYS 38 HZ3 LYS 38 -3.259 9.827 2.636 269 H CYS 39 HN CYS 39 -4.248 4.841 2.394 270 HA CYS 39 HA CYS 39 -5.180 3.050 0.261 271 HB2 CYS 39 HB2 CYS 39 -6.623 3.511 2.874 272 HB3 CYS 39 HB1 CYS 39 -7.077 2.392 1.599 273 H TYR 40 HN TYR 40 -7.140 3.705 -0.752 274 HA TYR 40 HA TYR 40 -8.002 6.437 -0.199 275 HB2 TYR 40 HB2 TYR 40 -8.072 6.818 -2.722 276 HB3 TYR 40 HB1 TYR 40 -6.484 6.848 -1.965 277 HD1 TYR 40 HD1 TYR 40 -4.838 5.133 -2.480 278 HD2 TYR 40 HD2 TYR 40 -8.731 4.972 -4.181 279 HE1 TYR 40 HE1 TYR 40 -4.063 3.441 -4.085 280 HE2 TYR 40 HE2 TYR 40 -7.962 3.279 -5.788 281 HH TYR 40 HH TYR 40 -5.070 1.614 -5.476 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 3.183 -1.042 7.131 2 H2 GLY 1 HT2 GLY 1 3.622 0.045 5.915 3 H3 GLY 1 HT3 GLY 1 4.770 -0.476 7.038 4 HA2 GLY 1 HA1 GLY 1 5.069 -1.581 4.907 5 HA3 GLY 1 HA2 GLY 1 4.677 -2.715 6.193 6 H PHE 2 HN PHE 2 2.657 -3.673 6.269 7 HA PHE 2 HA PHE 2 0.872 -4.748 5.377 8 HB2 PHE 2 HB2 PHE 2 0.312 -2.027 4.192 9 HB3 PHE 2 HB1 PHE 2 -0.849 -3.334 4.359 10 HD1 PHE 2 HD1 PHE 2 0.264 -0.383 5.756 11 HD2 PHE 2 HD2 PHE 2 -1.005 -4.289 6.846 12 HE1 PHE 2 HE1 PHE 2 -0.293 0.433 8.006 13 HE2 PHE 2 HE2 PHE 2 -1.572 -3.485 9.097 14 HZ PHE 2 HZ PHE 2 -1.320 -1.132 9.661 15 H GLY 3 HN GLY 3 2.797 -5.668 3.995 16 HA2 GLY 3 HA2 GLY 3 2.855 -6.965 2.050 17 HA3 GLY 3 HA1 GLY 3 1.622 -5.929 1.352 18 H CYS 4 HN CYS 4 2.932 -3.437 1.753 19 HA CYS 4 HA CYS 4 4.797 -3.572 -0.443 20 HB2 CYS 4 HB2 CYS 4 3.142 -1.722 -0.210 21 HB3 CYS 4 HB1 CYS 4 4.020 -1.159 1.208 22 H ASN 5 HN ASN 5 4.907 -2.736 2.973 23 HA ASN 5 HA ASN 5 6.437 -2.974 4.574 24 HB2 ASN 5 HB2 ASN 5 7.682 -4.699 2.462 25 HB3 ASN 5 HB1 ASN 5 8.271 -4.590 4.109 26 HD21 ASN 5 HD21 ASN 5 6.807 -6.617 2.359 27 HD22 ASN 5 HD22 ASN 5 5.608 -7.248 3.425 28 H GLY 6 HN GLY 6 7.864 -2.020 1.501 29 HA2 GLY 6 HA2 GLY 6 9.344 0.107 2.472 30 HA3 GLY 6 HA1 GLY 6 10.388 -1.303 2.579 31 HA PRO 7 HA PRO 7 10.574 0.810 -1.628 32 HB2 PRO 7 HB2 PRO 7 13.443 0.490 -1.404 33 HB3 PRO 7 HB1 PRO 7 12.502 1.965 -1.601 34 HG2 PRO 7 HG2 PRO 7 13.850 1.177 0.693 35 HG3 PRO 7 HG1 PRO 7 12.616 2.440 0.588 36 HD2 PRO 7 HD2 PRO 7 12.447 -0.231 1.749 37 HD3 PRO 7 HD1 PRO 7 11.375 1.163 1.945 38 H TRP 8 HN TRP 8 12.592 -1.779 -0.336 39 HA TRP 8 HA TRP 8 13.184 -2.954 -2.864 40 HB2 TRP 8 HB2 TRP 8 13.387 -4.573 -0.381 41 HB3 TRP 8 HB1 TRP 8 14.564 -4.330 -1.665 42 HD1 TRP 8 HD1 TRP 8 13.311 -2.732 1.580 43 HE1 TRP 8 HE1 TRP 8 15.091 -1.071 2.421 44 HE3 TRP 8 HE3 TRP 8 16.500 -2.873 -2.414 45 HZ2 TRP 8 HZ2 TRP 8 17.525 0.028 1.508 46 HZ3 TRP 8 HZ3 TRP 8 18.531 -1.489 -2.348 47 HH2 TRP 8 HH2 TRP 8 19.032 -0.069 -0.428 48 H GLN 9 HN GLN 9 10.658 -3.243 -0.554 49 HA GLN 9 HA GLN 9 9.862 -5.905 -1.483 50 HB2 GLN 9 HB2 GLN 9 8.773 -4.268 0.798 51 HB3 GLN 9 HB1 GLN 9 8.507 -5.983 0.513 52 HG2 GLN 9 HG2 GLN 9 11.168 -4.736 1.153 53 HG3 GLN 9 HG1 GLN 9 10.122 -5.518 2.325 54 HE21 GLN 9 HE21 GLN 9 9.860 -7.747 2.260 55 HE22 GLN 9 HE22 GLN 9 10.953 -8.774 1.398 56 H GLU 10 HN GLU 10 9.278 -2.777 -2.209 57 HA GLU 10 HA GLU 10 6.634 -2.217 -2.090 58 HB2 GLU 10 HB2 GLU 10 8.866 -1.201 -3.508 59 HB3 GLU 10 HB1 GLU 10 7.524 -1.317 -4.641 60 HG2 GLU 10 HG2 GLU 10 6.188 -0.192 -2.685 61 HG3 GLU 10 HG1 GLU 10 7.801 0.330 -2.185 62 H ASP 11 HN ASP 11 5.237 -3.886 -2.436 63 HA ASP 11 HA ASP 11 4.847 -4.579 -5.265 64 HB2 ASP 11 HB2 ASP 11 5.145 -6.543 -3.750 65 HB3 ASP 11 HB1 ASP 11 3.718 -6.024 -2.857 66 H ASP 12 HN ASP 12 3.398 -3.347 -6.166 67 HA ASP 12 HA ASP 12 1.846 -1.491 -4.768 68 HB2 ASP 12 HB2 ASP 12 1.743 -2.450 -7.625 69 HB3 ASP 12 HB1 ASP 12 0.770 -1.121 -7.016 70 H LEU 13 HN LEU 13 1.030 -4.636 -6.167 71 HA LEU 13 HA LEU 13 -1.766 -4.275 -5.833 72 HB2 LEU 13 HB2 LEU 13 -0.674 -5.860 -7.442 73 HB3 LEU 13 HB1 LEU 13 -0.318 -6.897 -6.073 74 HG LEU 13 HG LEU 13 -2.757 -7.037 -5.588 75 HD11 LEU 13 HD11 LEU 13 -3.018 -5.576 -8.204 76 HD12 LEU 13 HD12 LEU 13 -3.466 -4.966 -6.610 77 HD13 LEU 13 HD13 LEU 13 -4.337 -6.332 -7.310 78 HD21 LEU 13 HD21 LEU 13 -1.938 -7.901 -8.360 79 HD22 LEU 13 HD22 LEU 13 -3.279 -8.556 -7.423 80 HD23 LEU 13 HD23 LEU 13 -1.623 -8.784 -6.867 81 H LYS 14 HN LYS 14 0.745 -5.876 -3.892 82 HA LYS 14 HA LYS 14 -0.936 -6.966 -1.932 83 HB2 LYS 14 HB2 LYS 14 1.903 -5.975 -1.889 84 HB3 LYS 14 HB1 LYS 14 1.135 -6.521 -0.409 85 HG2 LYS 14 HG2 LYS 14 1.244 -8.229 -2.870 86 HG3 LYS 14 HG1 LYS 14 2.542 -8.205 -1.676 87 HD2 LYS 14 HD2 LYS 14 -0.330 -8.762 -0.965 88 HD3 LYS 14 HD1 LYS 14 0.814 -10.032 -1.399 89 HE2 LYS 14 HE2 LYS 14 1.206 -8.065 0.862 90 HE3 LYS 14 HE1 LYS 14 0.574 -9.701 1.051 91 HZ1 LYS 14 HZ1 LYS 14 2.644 -10.580 0.218 92 HZ2 LYS 14 HZ2 LYS 14 2.949 -9.559 1.530 93 HZ3 LYS 14 HZ3 LYS 14 3.250 -9.024 -0.044 94 H CYS 15 HN CYS 15 0.524 -3.728 -2.129 95 HA CYS 15 HA CYS 15 -0.566 -2.765 0.298 96 HB2 CYS 15 HB2 CYS 15 1.288 -1.668 -0.966 97 HB3 CYS 15 HB1 CYS 15 0.122 -1.175 -2.186 98 H HIS 16 HN HIS 16 -1.689 -2.678 -3.047 99 HA HIS 16 HA HIS 16 -4.076 -1.277 -2.689 100 HB2 HIS 16 HB2 HIS 16 -3.138 -1.757 -4.886 101 HB3 HIS 16 HB1 HIS 16 -3.342 -3.483 -4.632 102 HD1 HIS 16 HD1 HIS 16 -5.224 -0.385 -5.567 103 HD2 HIS 16 HD2 HIS 16 -5.902 -4.467 -5.094 104 HE1 HIS 16 HE1 HIS 16 -7.507 -0.811 -6.517 105 HE2 HIS 16 HE2 HIS 16 -7.754 -3.318 -6.484 106 H ASN 17 HN ASN 17 -3.477 -4.755 -2.668 107 HA ASN 17 HA ASN 17 -6.059 -5.624 -2.081 108 HB2 ASN 17 HB2 ASN 17 -3.346 -6.857 -1.757 109 HB3 ASN 17 HB1 ASN 17 -4.788 -7.711 -1.238 110 HD21 ASN 17 HD21 ASN 17 -2.924 -8.424 -3.296 111 HD22 ASN 17 HD22 ASN 17 -3.816 -8.504 -4.768 112 H HIS 18 HN HIS 18 -3.455 -4.628 0.090 113 HA HIS 18 HA HIS 18 -4.555 -5.569 2.479 114 HB2 HIS 18 HB2 HIS 18 -2.411 -4.761 2.793 115 HB3 HIS 18 HB1 HIS 18 -2.675 -3.348 1.778 116 HD1 HIS 18 HD1 HIS 18 -3.823 -4.626 5.187 117 HD2 HIS 18 HD2 HIS 18 -3.017 -1.079 3.173 118 HE1 HIS 18 HE1 HIS 18 -4.198 -2.793 6.866 119 HE2 HIS 18 HE2 HIS 18 -3.586 -0.667 5.666 120 H CYS 19 HN CYS 19 -5.068 -2.510 0.772 121 HA CYS 19 HA CYS 19 -6.890 -1.495 2.715 122 HB2 CYS 19 HB2 CYS 19 -6.551 -0.617 -0.157 123 HB3 CYS 19 HB1 CYS 19 -7.235 0.324 1.165 124 H LYS 20 HN LYS 20 -7.175 -3.661 0.063 125 HA LYS 20 HA LYS 20 -9.933 -3.298 -0.512 126 HB2 LYS 20 HB2 LYS 20 -8.280 -5.803 -0.866 127 HB3 LYS 20 HB1 LYS 20 -9.807 -5.437 -1.659 128 HG2 LYS 20 HG2 LYS 20 -7.338 -3.775 -1.996 129 HG3 LYS 20 HG1 LYS 20 -7.743 -5.130 -3.050 130 HD2 LYS 20 HD2 LYS 20 -9.624 -2.838 -2.572 131 HD3 LYS 20 HD1 LYS 20 -8.388 -2.803 -3.833 132 HE2 LYS 20 HE2 LYS 20 -9.327 -4.751 -4.877 133 HE3 LYS 20 HE1 LYS 20 -10.493 -4.946 -3.568 134 HZ1 LYS 20 HZ1 LYS 20 -11.530 -2.877 -4.210 135 HZ2 LYS 20 HZ2 LYS 20 -11.478 -3.923 -5.535 136 HZ3 LYS 20 HZ3 LYS 20 -10.389 -2.635 -5.432 137 H SER 21 HN SER 21 -8.214 -4.798 2.032 138 HA SER 21 HA SER 21 -10.450 -6.468 2.852 139 HB2 SER 21 HB2 SER 21 -7.765 -6.032 4.183 140 HB3 SER 21 HB1 SER 21 -8.936 -7.290 4.575 141 HG SER 21 HG SER 21 -8.256 -7.237 1.923 142 H ILE 22 HN ILE 22 -9.614 -3.277 3.176 143 HA ILE 22 HA ILE 22 -10.623 -3.068 5.924 144 HB ILE 22 HB ILE 22 -9.381 -0.871 4.285 145 HG12 ILE 22 HG12 ILE 22 -8.076 -2.656 6.342 146 HG13 ILE 22 HG11 ILE 22 -7.745 -2.686 4.615 147 HG21 ILE 22 HG21 ILE 22 -10.169 -1.156 7.158 148 HG22 ILE 22 HG22 ILE 22 -10.589 0.115 6.004 149 HG23 ILE 22 HG23 ILE 22 -8.953 0.014 6.650 150 HD11 ILE 22 HD11 ILE 22 -6.895 -0.405 4.753 151 HD12 ILE 22 HD12 ILE 22 -6.017 -1.498 5.824 152 HD13 ILE 22 HD13 ILE 22 -7.225 -0.393 6.485 153 H LYS 23 HN LYS 23 -12.374 -1.981 6.426 154 HA LYS 23 HA LYS 23 -14.695 -1.981 5.826 155 HB2 LYS 23 HB2 LYS 23 -14.965 0.667 5.520 156 HB3 LYS 23 HB1 LYS 23 -14.629 -0.111 7.061 157 HG2 LYS 23 HG2 LYS 23 -12.238 0.311 6.719 158 HG3 LYS 23 HG1 LYS 23 -12.611 1.148 5.213 159 HD2 LYS 23 HD2 LYS 23 -12.291 2.770 6.958 160 HD3 LYS 23 HD1 LYS 23 -13.999 2.742 6.514 161 HE2 LYS 23 HE2 LYS 23 -14.529 1.412 8.454 162 HE3 LYS 23 HE1 LYS 23 -12.821 1.257 8.860 163 HZ1 LYS 23 HZ1 LYS 23 -12.727 3.624 9.256 164 HZ2 LYS 23 HZ2 LYS 23 -13.931 2.929 10.211 165 HZ3 LYS 23 HZ3 LYS 23 -14.354 3.800 8.826 166 H GLY 24 HN GLY 24 -13.900 0.755 3.780 167 HA2 GLY 24 HA2 GLY 24 -15.072 -0.706 1.502 168 HA3 GLY 24 HA1 GLY 24 -15.678 0.874 1.971 169 H TYR 25 HN TYR 25 -12.298 0.220 2.247 170 HA TYR 25 HA TYR 25 -11.579 2.407 0.623 171 HB2 TYR 25 HB2 TYR 25 -9.929 0.044 1.531 172 HB3 TYR 25 HB1 TYR 25 -9.267 1.471 0.744 173 HD1 TYR 25 HD1 TYR 25 -11.777 2.818 2.563 174 HD2 TYR 25 HD2 TYR 25 -8.032 0.900 3.200 175 HE1 TYR 25 HE1 TYR 25 -11.587 3.933 4.740 176 HE2 TYR 25 HE2 TYR 25 -7.838 2.004 5.390 177 HH TYR 25 HH TYR 25 -10.432 3.582 6.894 178 H LYS 26 HN LYS 26 -10.658 2.531 -1.406 179 HA LYS 26 HA LYS 26 -11.750 0.633 -3.296 180 HB2 LYS 26 HB2 LYS 26 -11.979 2.956 -3.839 181 HB3 LYS 26 HB1 LYS 26 -10.264 3.245 -3.577 182 HG2 LYS 26 HG2 LYS 26 -9.763 1.809 -5.520 183 HG3 LYS 26 HG1 LYS 26 -11.496 1.642 -5.808 184 HD2 LYS 26 HD2 LYS 26 -11.722 3.981 -6.237 185 HD3 LYS 26 HD1 LYS 26 -10.071 4.295 -5.707 186 HE2 LYS 26 HE2 LYS 26 -9.218 2.982 -7.576 187 HE3 LYS 26 HE1 LYS 26 -10.866 2.652 -8.104 188 HZ1 LYS 26 HZ1 LYS 26 -9.844 4.450 -9.360 189 HZ2 LYS 26 HZ2 LYS 26 -9.623 5.341 -7.943 190 HZ3 LYS 26 HZ3 LYS 26 -11.184 5.002 -8.492 191 H GLY 27 HN GLY 27 -8.565 1.835 -2.320 192 HA2 GLY 27 HA2 GLY 27 -7.310 -0.651 -2.959 193 HA3 GLY 27 HA1 GLY 27 -6.979 0.563 -4.181 194 H GLY 28 HN GLY 28 -4.742 0.131 -3.428 195 HA2 GLY 28 HA2 GLY 28 -3.995 2.131 -1.471 196 HA3 GLY 28 HA1 GLY 28 -3.578 0.476 -1.049 197 H TYR 29 HN TYR 29 -1.752 2.605 -1.446 198 HA TYR 29 HA TYR 29 0.027 1.333 -3.316 199 HB2 TYR 29 HB2 TYR 29 0.447 3.246 -4.725 200 HB3 TYR 29 HB1 TYR 29 -1.272 2.889 -4.781 201 HD1 TYR 29 HD1 TYR 29 1.011 5.472 -4.639 202 HD2 TYR 29 HD2 TYR 29 -2.630 4.217 -2.832 203 HE1 TYR 29 HE1 TYR 29 0.527 7.798 -4.023 204 HE2 TYR 29 HE2 TYR 29 -3.128 6.543 -2.208 205 HH TYR 29 HH TYR 29 -1.916 8.628 -1.800 206 H CYS 30 HN CYS 30 2.193 2.043 -3.058 207 HA CYS 30 HA CYS 30 2.727 2.819 -0.343 208 HB2 CYS 30 HB2 CYS 30 4.824 2.501 -2.474 209 HB3 CYS 30 HB1 CYS 30 4.921 2.130 -0.756 210 H ALA 31 HN ALA 31 3.084 4.837 0.361 211 HA ALA 31 HA ALA 31 2.899 6.951 -1.619 212 HB1 ALA 31 HB1 ALA 31 2.524 8.432 0.255 213 HB2 ALA 31 HB2 ALA 31 2.964 7.153 1.386 214 HB3 ALA 31 HB3 ALA 31 1.507 7.000 0.403 215 H LYS 32 HN LYS 32 5.176 5.988 0.927 216 HA LYS 32 HA LYS 32 7.182 7.707 -0.337 217 HB2 LYS 32 HB2 LYS 32 6.564 7.532 2.612 218 HB3 LYS 32 HB1 LYS 32 8.021 8.269 1.968 219 HG2 LYS 32 HG2 LYS 32 5.208 9.173 1.387 220 HG3 LYS 32 HG1 LYS 32 6.307 9.920 2.544 221 HD2 LYS 32 HD2 LYS 32 6.835 9.668 -0.418 222 HD3 LYS 32 HD1 LYS 32 6.209 11.114 0.373 223 HE2 LYS 32 HE2 LYS 32 8.225 11.304 1.696 224 HE3 LYS 32 HE1 LYS 32 8.845 9.802 1.017 225 HZ1 LYS 32 HZ1 LYS 32 9.849 11.666 -0.080 226 HZ2 LYS 32 HZ2 LYS 32 8.339 12.323 -0.466 227 HZ3 LYS 32 HZ3 LYS 32 8.836 10.871 -1.175 228 H GLY 33 HN GLY 33 7.699 5.543 -1.255 229 HA2 GLY 33 HA2 GLY 33 9.531 4.157 -1.452 230 HA3 GLY 33 HA1 GLY 33 10.097 4.749 0.101 231 H GLY 34 HN GLY 34 7.040 3.142 -0.665 232 HA2 GLY 34 HA2 GLY 34 6.355 0.969 -0.277 233 HA3 GLY 34 HA1 GLY 34 7.988 0.579 0.213 234 H PHE 35 HN PHE 35 8.124 2.566 2.293 235 HA PHE 35 HA PHE 35 7.464 0.999 4.448 236 HB2 PHE 35 HB2 PHE 35 8.028 3.922 4.141 237 HB3 PHE 35 HB1 PHE 35 7.531 3.305 5.709 238 HD1 PHE 35 HD1 PHE 35 10.166 3.339 3.179 239 HD2 PHE 35 HD2 PHE 35 8.976 1.843 6.982 240 HE1 PHE 35 HE1 PHE 35 12.488 2.670 3.639 241 HE2 PHE 35 HE2 PHE 35 11.297 1.170 7.448 242 HZ PHE 35 HZ PHE 35 13.055 1.584 5.776 243 H VAL 36 HN VAL 36 5.577 3.718 3.147 244 HA VAL 36 HA VAL 36 3.430 2.986 4.996 245 HB VAL 36 HB VAL 36 3.926 5.227 5.364 246 HG11 VAL 36 HG11 VAL 36 4.178 6.910 3.605 247 HG12 VAL 36 HG12 VAL 36 3.964 5.648 2.391 248 HG13 VAL 36 HG13 VAL 36 5.365 5.608 3.464 249 HG21 VAL 36 HG21 VAL 36 1.533 4.866 5.139 250 HG22 VAL 36 HG22 VAL 36 1.631 5.216 3.414 251 HG23 VAL 36 HG23 VAL 36 1.972 6.484 4.592 252 H CYS 37 HN CYS 37 1.738 2.022 4.305 253 HA CYS 37 HA CYS 37 1.196 1.814 1.441 254 HB2 CYS 37 HB2 CYS 37 1.413 -0.277 2.769 255 HB3 CYS 37 HB1 CYS 37 0.061 0.239 3.767 256 H LYS 38 HN LYS 38 0.197 3.754 1.059 257 HA LYS 38 HA LYS 38 -1.917 4.714 2.771 258 HB2 LYS 38 HB2 LYS 38 -0.210 6.169 1.584 259 HB3 LYS 38 HB1 LYS 38 -1.047 5.807 0.092 260 HG2 LYS 38 HG2 LYS 38 -2.626 6.903 2.343 261 HG3 LYS 38 HG1 LYS 38 -1.528 7.985 1.488 262 HD2 LYS 38 HD2 LYS 38 -2.574 7.361 -0.615 263 HD3 LYS 38 HD1 LYS 38 -3.698 6.313 0.245 264 HE2 LYS 38 HE2 LYS 38 -3.450 9.298 0.599 265 HE3 LYS 38 HE1 LYS 38 -4.713 8.471 -0.313 266 HZ1 LYS 38 HZ1 LYS 38 -5.405 7.370 1.728 267 HZ2 LYS 38 HZ2 LYS 38 -5.481 9.052 1.890 268 HZ3 LYS 38 HZ3 LYS 38 -4.210 8.193 2.602 269 H CYS 39 HN CYS 39 -4.084 4.917 2.179 270 HA CYS 39 HA CYS 39 -4.908 3.077 0.029 271 HB2 CYS 39 HB2 CYS 39 -6.412 3.687 2.576 272 HB3 CYS 39 HB1 CYS 39 -6.899 2.553 1.329 273 H TYR 40 HN TYR 40 -6.813 3.584 -1.112 274 HA TYR 40 HA TYR 40 -7.753 6.343 -0.868 275 HB2 TYR 40 HB2 TYR 40 -7.757 6.457 -3.405 276 HB3 TYR 40 HB1 TYR 40 -6.176 6.544 -2.636 277 HD1 TYR 40 HD1 TYR 40 -4.526 4.884 -3.040 278 HD2 TYR 40 HD2 TYR 40 -8.457 4.361 -4.570 279 HE1 TYR 40 HE1 TYR 40 -3.733 3.014 -4.422 280 HE2 TYR 40 HE2 TYR 40 -7.675 2.489 -5.957 281 HH TYR 40 HH TYR 40 -5.454 1.722 -6.954 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 4.383 -6.320 7.982 2 H2 GLY 1 HT2 GLY 1 3.086 -5.697 8.861 3 H3 GLY 1 HT3 GLY 1 4.614 -4.991 8.999 4 HA2 GLY 1 HA1 GLY 1 3.194 -3.629 7.622 5 HA3 GLY 1 HA2 GLY 1 4.531 -4.287 6.692 6 H PHE 2 HN PHE 2 2.947 -3.660 4.958 7 HA PHE 2 HA PHE 2 1.242 -5.976 4.359 8 HB2 PHE 2 HB2 PHE 2 0.510 -3.086 3.849 9 HB3 PHE 2 HB1 PHE 2 -0.453 -4.487 3.397 10 HD1 PHE 2 HD1 PHE 2 0.083 -2.022 5.829 11 HD2 PHE 2 HD2 PHE 2 -1.120 -6.070 5.351 12 HE1 PHE 2 HE1 PHE 2 -1.032 -1.946 8.021 13 HE2 PHE 2 HE2 PHE 2 -2.244 -6.002 7.538 14 HZ PHE 2 HZ PHE 2 -2.232 -3.943 8.861 15 H GLY 3 HN GLY 3 3.538 -6.228 3.364 16 HA2 GLY 3 HA2 GLY 3 4.400 -6.738 1.252 17 HA3 GLY 3 HA1 GLY 3 3.241 -5.627 0.537 18 H CYS 4 HN CYS 4 3.653 -3.289 1.586 19 HA CYS 4 HA CYS 4 6.314 -2.680 0.617 20 HB2 CYS 4 HB2 CYS 4 3.853 -1.077 1.008 21 HB3 CYS 4 HB1 CYS 4 5.388 -0.236 0.973 22 H ASN 5 HN ASN 5 7.623 -3.282 2.118 23 HA ASN 5 HA ASN 5 7.646 -1.798 4.664 24 HB2 ASN 5 HB2 ASN 5 8.570 -4.547 3.885 25 HB3 ASN 5 HB1 ASN 5 9.321 -3.735 5.247 26 HD21 ASN 5 HD21 ASN 5 7.675 -6.157 5.054 27 HD22 ASN 5 HD22 ASN 5 6.358 -5.919 6.149 28 H GLY 6 HN GLY 6 8.479 -0.451 2.524 29 HA2 GLY 6 HA2 GLY 6 10.438 0.824 2.083 30 HA3 GLY 6 HA1 GLY 6 11.411 -0.522 2.669 31 HA PRO 7 HA PRO 7 10.835 -0.108 -2.181 32 HB2 PRO 7 HB2 PRO 7 13.680 -0.227 -2.326 33 HB3 PRO 7 HB1 PRO 7 12.636 1.133 -2.741 34 HG2 PRO 7 HG2 PRO 7 14.170 0.605 -0.272 35 HG3 PRO 7 HG1 PRO 7 13.662 2.148 -0.975 36 HD2 PRO 7 HD2 PRO 7 12.505 1.151 1.227 37 HD3 PRO 7 HD1 PRO 7 11.569 2.049 0.011 38 H TRP 8 HN TRP 8 12.999 -1.960 -0.094 39 HA TRP 8 HA TRP 8 13.742 -3.921 -1.955 40 HB2 TRP 8 HB2 TRP 8 13.603 -4.400 1.008 41 HB3 TRP 8 HB1 TRP 8 14.784 -4.994 -0.151 42 HD1 TRP 8 HD1 TRP 8 13.839 -1.830 1.782 43 HE1 TRP 8 HE1 TRP 8 15.895 -0.275 1.873 44 HE3 TRP 8 HE3 TRP 8 16.961 -4.439 -1.309 45 HZ2 TRP 8 HZ2 TRP 8 18.495 -0.178 0.775 46 HZ3 TRP 8 HZ3 TRP 8 19.213 -3.549 -1.739 47 HH2 TRP 8 HH2 TRP 8 19.963 -1.462 -0.718 48 H GLN 9 HN GLN 9 10.988 -3.646 0.184 49 HA GLN 9 HA GLN 9 10.160 -6.382 -0.528 50 HB2 GLN 9 HB2 GLN 9 8.599 -5.018 1.536 51 HB3 GLN 9 HB1 GLN 9 9.304 -6.628 1.545 52 HG2 GLN 9 HG2 GLN 9 11.524 -5.114 1.840 53 HG3 GLN 9 HG1 GLN 9 10.334 -4.096 2.627 54 HE21 GLN 9 HE21 GLN 9 12.573 -5.534 3.774 55 HE22 GLN 9 HE22 GLN 9 11.907 -6.589 4.969 56 H GLU 10 HN GLU 10 9.561 -3.127 -1.031 57 HA GLU 10 HA GLU 10 6.993 -2.540 -1.147 58 HB2 GLU 10 HB2 GLU 10 8.929 -1.151 -1.905 59 HB3 GLU 10 HB1 GLU 10 8.840 -1.978 -3.454 60 HG2 GLU 10 HG2 GLU 10 6.575 -1.156 -3.768 61 HG3 GLU 10 HG1 GLU 10 6.653 -0.346 -2.199 62 H ASP 11 HN ASP 11 5.261 -3.535 -1.783 63 HA ASP 11 HA ASP 11 5.118 -4.556 -4.528 64 HB2 ASP 11 HB2 ASP 11 5.288 -6.462 -2.858 65 HB3 ASP 11 HB1 ASP 11 3.750 -5.917 -2.197 66 H ASP 12 HN ASP 12 3.832 -3.142 -5.457 67 HA ASP 12 HA ASP 12 2.195 -1.314 -4.113 68 HB2 ASP 12 HB2 ASP 12 3.218 -1.036 -6.389 69 HB3 ASP 12 HB1 ASP 12 1.997 -2.129 -7.018 70 H LEU 13 HN LEU 13 1.404 -4.338 -5.766 71 HA LEU 13 HA LEU 13 -1.408 -3.943 -5.615 72 HB2 LEU 13 HB2 LEU 13 -0.214 -5.389 -7.283 73 HB3 LEU 13 HB1 LEU 13 0.028 -6.557 -5.999 74 HG LEU 13 HG LEU 13 -2.469 -6.654 -5.715 75 HD11 LEU 13 HD11 LEU 13 -2.439 -5.085 -8.284 76 HD12 LEU 13 HD12 LEU 13 -3.039 -4.527 -6.721 77 HD13 LEU 13 HD13 LEU 13 -3.854 -5.849 -7.559 78 HD21 LEU 13 HD21 LEU 13 -2.822 -8.087 -7.657 79 HD22 LEU 13 HD22 LEU 13 -1.240 -8.371 -6.931 80 HD23 LEU 13 HD23 LEU 13 -1.372 -7.426 -8.413 81 H LYS 14 HN LYS 14 0.950 -5.610 -3.583 82 HA LYS 14 HA LYS 14 -0.824 -7.034 -1.932 83 HB2 LYS 14 HB2 LYS 14 1.638 -7.278 -1.860 84 HB3 LYS 14 HB1 LYS 14 1.769 -5.673 -1.152 85 HG2 LYS 14 HG2 LYS 14 1.910 -7.033 0.701 86 HG3 LYS 14 HG1 LYS 14 0.194 -6.628 0.676 87 HD2 LYS 14 HD2 LYS 14 0.253 -8.937 1.049 88 HD3 LYS 14 HD1 LYS 14 -0.105 -8.780 -0.669 89 HE2 LYS 14 HE2 LYS 14 2.177 -9.226 -1.250 90 HE3 LYS 14 HE1 LYS 14 2.663 -9.189 0.445 91 HZ1 LYS 14 HZ1 LYS 14 0.747 -11.162 -0.664 92 HZ2 LYS 14 HZ2 LYS 14 1.477 -11.185 0.861 93 HZ3 LYS 14 HZ3 LYS 14 2.406 -11.449 -0.528 94 H CYS 15 HN CYS 15 0.377 -3.701 -1.697 95 HA CYS 15 HA CYS 15 -1.046 -3.045 0.663 96 HB2 CYS 15 HB2 CYS 15 0.872 -1.721 -0.184 97 HB3 CYS 15 HB1 CYS 15 -0.108 -1.203 -1.551 98 H HIS 16 HN HIS 16 -1.736 -2.631 -2.782 99 HA HIS 16 HA HIS 16 -4.215 -1.381 -2.623 100 HB2 HIS 16 HB2 HIS 16 -2.918 -1.734 -4.707 101 HB3 HIS 16 HB1 HIS 16 -3.283 -3.450 -4.634 102 HD1 HIS 16 HD1 HIS 16 -4.957 -0.113 -5.256 103 HD2 HIS 16 HD2 HIS 16 -5.691 -4.183 -5.745 104 HE1 HIS 16 HE1 HIS 16 -7.106 -0.273 -6.548 105 HE2 HIS 16 HE2 HIS 16 -7.361 -2.719 -7.069 106 H ASN 17 HN ASN 17 -3.394 -4.808 -2.588 107 HA ASN 17 HA ASN 17 -6.028 -5.807 -2.426 108 HB2 ASN 17 HB2 ASN 17 -3.299 -6.929 -1.903 109 HB3 ASN 17 HB1 ASN 17 -4.720 -7.874 -1.492 110 HD21 ASN 17 HD21 ASN 17 -2.652 -8.362 -3.473 111 HD22 ASN 17 HD22 ASN 17 -3.459 -8.480 -4.993 112 H HIS 18 HN HIS 18 -3.702 -4.834 0.028 113 HA HIS 18 HA HIS 18 -5.018 -5.937 2.252 114 HB2 HIS 18 HB2 HIS 18 -2.869 -5.286 2.777 115 HB3 HIS 18 HB1 HIS 18 -2.972 -3.796 1.850 116 HD1 HIS 18 HD1 HIS 18 -4.578 -5.176 5.035 117 HD2 HIS 18 HD2 HIS 18 -3.109 -1.635 3.430 118 HE1 HIS 18 HE1 HIS 18 -4.822 -3.460 6.853 119 HE2 HIS 18 HE2 HIS 18 -3.789 -1.360 5.915 120 H CYS 19 HN CYS 19 -5.219 -2.690 0.829 121 HA CYS 19 HA CYS 19 -6.975 -1.683 2.804 122 HB2 CYS 19 HB2 CYS 19 -6.507 -0.687 -0.011 123 HB3 CYS 19 HB1 CYS 19 -7.236 0.228 1.306 124 H LYS 20 HN LYS 20 -7.516 -3.388 -0.192 125 HA LYS 20 HA LYS 20 -10.269 -2.654 -0.448 126 HB2 LYS 20 HB2 LYS 20 -8.669 -4.850 -1.737 127 HB3 LYS 20 HB1 LYS 20 -10.306 -4.386 -2.198 128 HG2 LYS 20 HG2 LYS 20 -9.578 -2.199 -2.823 129 HG3 LYS 20 HG1 LYS 20 -7.961 -2.516 -2.194 130 HD2 LYS 20 HD2 LYS 20 -7.904 -2.719 -4.574 131 HD3 LYS 20 HD1 LYS 20 -7.729 -4.325 -3.868 132 HE2 LYS 20 HE2 LYS 20 -9.216 -4.417 -5.742 133 HE3 LYS 20 HE1 LYS 20 -10.116 -4.728 -4.252 134 HZ1 LYS 20 HZ1 LYS 20 -11.334 -3.250 -5.715 135 HZ2 LYS 20 HZ2 LYS 20 -10.049 -2.153 -5.735 136 HZ3 LYS 20 HZ3 LYS 20 -10.895 -2.436 -4.299 137 H SER 21 HN SER 21 -8.615 -4.849 1.504 138 HA SER 21 HA SER 21 -10.931 -6.553 1.930 139 HB2 SER 21 HB2 SER 21 -8.574 -7.437 2.034 140 HB3 SER 21 HB1 SER 21 -8.337 -6.480 3.494 141 HG SER 21 HG SER 21 -9.844 -7.708 4.548 142 H ILE 22 HN ILE 22 -9.989 -3.527 2.816 143 HA ILE 22 HA ILE 22 -11.298 -3.613 5.441 144 HB ILE 22 HB ILE 22 -9.777 -1.303 4.206 145 HG12 ILE 22 HG12 ILE 22 -8.788 -3.364 6.186 146 HG13 ILE 22 HG11 ILE 22 -8.305 -3.277 4.498 147 HG21 ILE 22 HG21 ILE 22 -11.163 -0.477 5.921 148 HG22 ILE 22 HG22 ILE 22 -9.571 -0.660 6.657 149 HG23 ILE 22 HG23 ILE 22 -10.829 -1.855 6.968 150 HD11 ILE 22 HD11 ILE 22 -7.779 -1.210 6.619 151 HD12 ILE 22 HD12 ILE 22 -7.323 -1.072 4.920 152 HD13 ILE 22 HD13 ILE 22 -6.606 -2.331 5.926 153 H LYS 23 HN LYS 23 -12.874 -1.981 5.923 154 HA LYS 23 HA LYS 23 -15.169 -2.131 4.768 155 HB2 LYS 23 HB2 LYS 23 -15.542 0.403 5.381 156 HB3 LYS 23 HB1 LYS 23 -15.339 -0.839 6.608 157 HG2 LYS 23 HG2 LYS 23 -12.857 -0.215 6.538 158 HG3 LYS 23 HG1 LYS 23 -13.376 1.235 5.681 159 HD2 LYS 23 HD2 LYS 23 -14.331 0.347 8.398 160 HD3 LYS 23 HD1 LYS 23 -13.146 1.609 8.084 161 HE2 LYS 23 HE2 LYS 23 -15.928 1.712 6.959 162 HE3 LYS 23 HE1 LYS 23 -15.541 2.347 8.558 163 HZ1 LYS 23 HZ1 LYS 23 -14.236 3.212 6.038 164 HZ2 LYS 23 HZ2 LYS 23 -13.983 3.869 7.573 165 HZ3 LYS 23 HZ3 LYS 23 -15.481 4.049 6.810 166 H GLY 24 HN GLY 24 -14.239 1.163 4.029 167 HA2 GLY 24 HA2 GLY 24 -15.494 0.709 1.413 168 HA3 GLY 24 HA1 GLY 24 -15.461 2.237 2.276 169 H TYR 25 HN TYR 25 -12.508 0.664 2.410 170 HA TYR 25 HA TYR 25 -11.164 2.653 0.907 171 HB2 TYR 25 HB2 TYR 25 -10.195 -0.094 1.733 172 HB3 TYR 25 HB1 TYR 25 -9.175 1.197 1.121 173 HD1 TYR 25 HD1 TYR 25 -11.642 2.649 3.177 174 HD2 TYR 25 HD2 TYR 25 -8.030 0.417 3.354 175 HE1 TYR 25 HE1 TYR 25 -11.280 3.425 5.478 176 HE2 TYR 25 HE2 TYR 25 -7.658 1.186 5.655 177 HH TYR 25 HH TYR 25 -8.310 3.041 7.097 178 H LYS 26 HN LYS 26 -10.709 2.795 -1.215 179 HA LYS 26 HA LYS 26 -11.934 0.866 -2.987 180 HB2 LYS 26 HB2 LYS 26 -12.145 3.226 -3.523 181 HB3 LYS 26 HB1 LYS 26 -10.388 3.413 -3.514 182 HG2 LYS 26 HG2 LYS 26 -10.171 2.069 -5.476 183 HG3 LYS 26 HG1 LYS 26 -11.870 1.609 -5.421 184 HD2 LYS 26 HD2 LYS 26 -11.481 3.295 -7.138 185 HD3 LYS 26 HD1 LYS 26 -12.519 3.928 -5.861 186 HE2 LYS 26 HE2 LYS 26 -10.746 5.206 -4.938 187 HE3 LYS 26 HE1 LYS 26 -9.546 4.384 -5.932 188 HZ1 LYS 26 HZ1 LYS 26 -10.146 6.638 -6.716 189 HZ2 LYS 26 HZ2 LYS 26 -11.712 6.083 -7.029 190 HZ3 LYS 26 HZ3 LYS 26 -10.402 5.430 -7.871 191 H GLY 27 HN GLY 27 -8.712 2.005 -2.188 192 HA2 GLY 27 HA2 GLY 27 -7.551 -0.489 -3.020 193 HA3 GLY 27 HA1 GLY 27 -7.148 0.849 -4.082 194 H GLY 28 HN GLY 28 -4.977 0.083 -3.220 195 HA2 GLY 28 HA2 GLY 28 -4.223 1.939 -1.102 196 HA3 GLY 28 HA1 GLY 28 -3.806 0.244 -0.880 197 H TYR 29 HN TYR 29 -1.993 2.469 -1.105 198 HA TYR 29 HA TYR 29 -0.321 1.395 -3.206 199 HB2 TYR 29 HB2 TYR 29 0.053 3.464 -4.371 200 HB3 TYR 29 HB1 TYR 29 -1.679 3.170 -4.338 201 HD1 TYR 29 HD1 TYR 29 0.863 5.538 -3.759 202 HD2 TYR 29 HD2 TYR 29 -2.980 4.353 -2.397 203 HE1 TYR 29 HE1 TYR 29 0.515 7.777 -2.811 204 HE2 TYR 29 HE2 TYR 29 -3.343 6.586 -1.451 205 HH TYR 29 HH TYR 29 -1.442 9.233 -2.212 206 H CYS 30 HN CYS 30 1.865 2.099 -3.036 207 HA CYS 30 HA CYS 30 2.556 2.651 -0.268 208 HB2 CYS 30 HB2 CYS 30 4.436 1.928 -2.518 209 HB3 CYS 30 HB1 CYS 30 4.679 1.724 -0.783 210 H ALA 31 HN ALA 31 2.298 4.762 0.018 211 HA ALA 31 HA ALA 31 2.497 6.722 -1.955 212 HB1 ALA 31 HB1 ALA 31 2.621 7.150 1.025 213 HB2 ALA 31 HB2 ALA 31 1.136 6.860 0.113 214 HB3 ALA 31 HB3 ALA 31 2.095 8.307 -0.202 215 H LYS 32 HN LYS 32 4.688 6.169 0.808 216 HA LYS 32 HA LYS 32 6.491 8.167 -0.275 217 HB2 LYS 32 HB2 LYS 32 6.737 6.553 2.266 218 HB3 LYS 32 HB1 LYS 32 7.700 7.956 1.826 219 HG2 LYS 32 HG2 LYS 32 4.747 7.918 2.409 220 HG3 LYS 32 HG1 LYS 32 6.020 8.576 3.437 221 HD2 LYS 32 HD2 LYS 32 6.536 10.261 1.772 222 HD3 LYS 32 HD1 LYS 32 5.342 9.570 0.672 223 HE2 LYS 32 HE2 LYS 32 3.582 10.053 2.343 224 HE3 LYS 32 HE1 LYS 32 4.798 10.838 3.351 225 HZ1 LYS 32 HZ1 LYS 32 3.536 12.419 2.013 226 HZ2 LYS 32 HZ2 LYS 32 4.072 11.669 0.597 227 HZ3 LYS 32 HZ3 LYS 32 5.178 12.444 1.612 228 H GLY 33 HN GLY 33 6.272 5.821 -1.857 229 HA2 GLY 33 HA2 GLY 33 7.770 4.622 -3.127 230 HA3 GLY 33 HA1 GLY 33 9.066 5.371 -2.208 231 H GLY 34 HN GLY 34 6.396 3.285 -1.189 232 HA2 GLY 34 HA2 GLY 34 6.526 0.998 -0.669 233 HA3 GLY 34 HA1 GLY 34 8.275 1.112 -0.723 234 H PHE 35 HN PHE 35 7.726 3.645 1.091 235 HA PHE 35 HA PHE 35 8.305 2.161 3.481 236 HB2 PHE 35 HB2 PHE 35 8.096 5.119 2.937 237 HB3 PHE 35 HB1 PHE 35 8.458 4.459 4.528 238 HD1 PHE 35 HD1 PHE 35 9.918 5.919 1.823 239 HD2 PHE 35 HD2 PHE 35 10.379 2.490 4.297 240 HE1 PHE 35 HE1 PHE 35 12.299 5.804 1.218 241 HE2 PHE 35 HE2 PHE 35 12.760 2.372 3.699 242 HZ PHE 35 HZ PHE 35 13.728 4.030 2.178 243 H VAL 36 HN VAL 36 5.424 3.576 2.138 244 HA VAL 36 HA VAL 36 4.066 2.818 4.629 245 HB VAL 36 HB VAL 36 2.706 4.689 4.748 246 HG11 VAL 36 HG11 VAL 36 4.912 5.348 5.421 247 HG12 VAL 36 HG12 VAL 36 4.132 6.696 4.590 248 HG13 VAL 36 HG13 VAL 36 5.346 5.728 3.754 249 HG21 VAL 36 HG21 VAL 36 2.409 6.349 2.979 250 HG22 VAL 36 HG22 VAL 36 1.949 4.728 2.455 251 HG23 VAL 36 HG23 VAL 36 3.487 5.420 1.936 252 H CYS 37 HN CYS 37 1.996 2.004 4.393 253 HA CYS 37 HA CYS 37 1.079 1.481 1.654 254 HB2 CYS 37 HB2 CYS 37 1.504 -0.557 2.957 255 HB3 CYS 37 HB1 CYS 37 0.439 0.021 4.234 256 H LYS 38 HN LYS 38 -0.073 3.357 1.289 257 HA LYS 38 HA LYS 38 -2.039 4.208 3.282 258 HB2 LYS 38 HB2 LYS 38 -0.369 5.813 2.249 259 HB3 LYS 38 HB1 LYS 38 -1.229 5.617 0.736 260 HG2 LYS 38 HG2 LYS 38 -2.837 6.392 3.084 261 HG3 LYS 38 HG1 LYS 38 -1.707 7.591 2.454 262 HD2 LYS 38 HD2 LYS 38 -2.680 7.237 0.211 263 HD3 LYS 38 HD1 LYS 38 -3.891 6.182 0.934 264 HE2 LYS 38 HE2 LYS 38 -3.471 9.101 1.575 265 HE3 LYS 38 HE1 LYS 38 -4.762 8.435 0.575 266 HZ1 LYS 38 HZ1 LYS 38 -4.341 7.874 3.459 267 HZ2 LYS 38 HZ2 LYS 38 -5.568 7.214 2.498 268 HZ3 LYS 38 HZ3 LYS 38 -5.536 8.876 2.806 269 H CYS 39 HN CYS 39 -4.221 4.540 2.715 270 HA CYS 39 HA CYS 39 -5.099 2.979 0.372 271 HB2 CYS 39 HB2 CYS 39 -6.639 3.334 2.942 272 HB3 CYS 39 HB1 CYS 39 -6.999 2.229 1.623 273 H TYR 40 HN TYR 40 -7.072 3.690 -0.670 274 HA TYR 40 HA TYR 40 -7.814 6.449 -0.030 275 HB2 TYR 40 HB2 TYR 40 -8.054 6.763 -2.583 276 HB3 TYR 40 HB1 TYR 40 -6.440 6.831 -1.882 277 HD1 TYR 40 HD1 TYR 40 -4.815 5.073 -2.350 278 HD2 TYR 40 HD2 TYR 40 -8.731 4.904 -3.988 279 HE1 TYR 40 HE1 TYR 40 -4.074 3.337 -3.927 280 HE2 TYR 40 HE2 TYR 40 -8.004 3.167 -5.568 281 HH TYR 40 HH TYR 40 -5.086 1.501 -5.271 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 4.811 -5.573 7.798 2 H2 GLY 1 HT2 GLY 1 3.854 -4.465 8.640 3 H3 GLY 1 HT3 GLY 1 5.468 -4.097 8.296 4 HA2 GLY 1 HA1 GLY 1 3.970 -2.908 6.817 5 HA3 GLY 1 HA2 GLY 1 5.015 -4.023 5.951 6 H PHE 2 HN PHE 2 2.959 -3.340 4.539 7 HA PHE 2 HA PHE 2 1.035 -5.556 4.821 8 HB2 PHE 2 HB2 PHE 2 0.457 -2.804 3.697 9 HB3 PHE 2 HB1 PHE 2 -0.699 -4.113 3.891 10 HD1 PHE 2 HD1 PHE 2 0.724 -1.235 5.365 11 HD2 PHE 2 HD2 PHE 2 -1.106 -4.959 6.281 12 HE1 PHE 2 HE1 PHE 2 0.182 -0.409 7.612 13 HE2 PHE 2 HE2 PHE 2 -1.659 -4.139 8.535 14 HZ PHE 2 HZ PHE 2 -1.046 -1.858 9.194 15 H GLY 3 HN GLY 3 3.611 -4.833 3.209 16 HA2 GLY 3 HA2 GLY 3 3.663 -6.187 0.988 17 HA3 GLY 3 HA1 GLY 3 2.539 -4.932 0.478 18 H CYS 4 HN CYS 4 3.417 -2.629 1.190 19 HA CYS 4 HA CYS 4 6.002 -2.311 -0.034 20 HB2 CYS 4 HB2 CYS 4 4.311 -0.207 1.309 21 HB3 CYS 4 HB1 CYS 4 5.610 0.069 0.172 22 H ASN 5 HN ASN 5 7.022 -3.684 1.609 23 HA ASN 5 HA ASN 5 7.317 -2.514 4.265 24 HB2 ASN 5 HB2 ASN 5 8.582 -5.058 3.219 25 HB3 ASN 5 HB1 ASN 5 8.352 -4.586 4.898 26 HD21 ASN 5 HD21 ASN 5 7.520 -6.996 3.706 27 HD22 ASN 5 HD22 ASN 5 5.798 -7.077 3.824 28 H GLY 6 HN GLY 6 8.386 -0.952 2.258 29 HA2 GLY 6 HA2 GLY 6 10.453 0.240 2.199 30 HA3 GLY 6 HA1 GLY 6 11.282 -1.240 2.680 31 HA PRO 7 HA PRO 7 11.167 -0.117 -2.074 32 HB2 PRO 7 HB2 PRO 7 13.984 -0.485 -2.119 33 HB3 PRO 7 HB1 PRO 7 13.101 1.033 -2.296 34 HG2 PRO 7 HG2 PRO 7 14.410 -0.137 0.094 35 HG3 PRO 7 HG1 PRO 7 14.163 1.564 -0.335 36 HD2 PRO 7 HD2 PRO 7 12.721 0.390 1.588 37 HD3 PRO 7 HD1 PRO 7 11.992 1.584 0.489 38 H TRP 8 HN TRP 8 13.137 -2.448 -0.263 39 HA TRP 8 HA TRP 8 13.640 -4.173 -2.436 40 HB2 TRP 8 HB2 TRP 8 13.654 -5.021 0.447 41 HB3 TRP 8 HB1 TRP 8 14.699 -5.557 -0.861 42 HD1 TRP 8 HD1 TRP 8 14.252 -2.740 1.644 43 HE1 TRP 8 HE1 TRP 8 16.399 -1.311 1.700 44 HE3 TRP 8 HE3 TRP 8 16.699 -4.837 -2.313 45 HZ2 TRP 8 HZ2 TRP 8 18.811 -1.114 0.243 46 HZ3 TRP 8 HZ3 TRP 8 18.919 -3.974 -2.920 47 HH2 TRP 8 HH2 TRP 8 19.952 -2.151 -1.667 48 H GLN 9 HN GLN 9 11.016 -3.934 -0.160 49 HA GLN 9 HA GLN 9 10.045 -6.602 -0.935 50 HB2 GLN 9 HB2 GLN 9 8.797 -5.043 1.270 51 HB3 GLN 9 HB1 GLN 9 9.018 -6.779 1.119 52 HG2 GLN 9 HG2 GLN 9 11.570 -6.077 1.342 53 HG3 GLN 9 HG1 GLN 9 10.850 -4.709 2.174 54 HE21 GLN 9 HE21 GLN 9 9.477 -7.930 2.187 55 HE22 GLN 9 HE22 GLN 9 9.782 -8.252 3.858 56 H GLU 10 HN GLU 10 9.615 -3.363 -1.474 57 HA GLU 10 HA GLU 10 6.997 -2.738 -1.420 58 HB2 GLU 10 HB2 GLU 10 9.067 -1.375 -2.092 59 HB3 GLU 10 HB1 GLU 10 8.738 -1.932 -3.725 60 HG2 GLU 10 HG2 GLU 10 6.509 -0.711 -2.219 61 HG3 GLU 10 HG1 GLU 10 7.803 0.353 -2.764 62 H ASP 11 HN ASP 11 5.354 -3.944 -2.054 63 HA ASP 11 HA ASP 11 5.378 -4.979 -4.805 64 HB2 ASP 11 HB2 ASP 11 5.186 -6.752 -3.080 65 HB3 ASP 11 HB1 ASP 11 3.716 -5.986 -2.487 66 H ASP 12 HN ASP 12 3.693 -4.539 -6.117 67 HA ASP 12 HA ASP 12 2.517 -1.983 -5.600 68 HB2 ASP 12 HB2 ASP 12 3.535 -2.769 -7.767 69 HB3 ASP 12 HB1 ASP 12 2.107 -3.763 -7.994 70 H LEU 13 HN LEU 13 1.362 -5.279 -5.688 71 HA LEU 13 HA LEU 13 -1.400 -4.328 -5.784 72 HB2 LEU 13 HB2 LEU 13 -0.658 -6.047 -7.384 73 HB3 LEU 13 HB1 LEU 13 -0.307 -7.112 -6.042 74 HG LEU 13 HG LEU 13 -2.738 -7.013 -5.415 75 HD11 LEU 13 HD11 LEU 13 -3.314 -4.923 -6.497 76 HD12 LEU 13 HD12 LEU 13 -4.320 -6.233 -7.112 77 HD13 LEU 13 HD13 LEU 13 -2.976 -5.625 -8.078 78 HD21 LEU 13 HD21 LEU 13 -1.811 -8.895 -6.671 79 HD22 LEU 13 HD22 LEU 13 -2.117 -8.040 -8.181 80 HD23 LEU 13 HD23 LEU 13 -3.466 -8.543 -7.166 81 H LYS 14 HN LYS 14 0.873 -5.939 -3.682 82 HA LYS 14 HA LYS 14 -0.824 -7.247 -1.911 83 HB2 LYS 14 HB2 LYS 14 1.903 -6.077 -1.742 84 HB3 LYS 14 HB1 LYS 14 1.111 -6.463 -0.225 85 HG2 LYS 14 HG2 LYS 14 1.322 -8.475 -2.436 86 HG3 LYS 14 HG1 LYS 14 2.630 -8.228 -1.275 87 HD2 LYS 14 HD2 LYS 14 -0.216 -8.845 -0.494 88 HD3 LYS 14 HD1 LYS 14 1.035 -10.073 -0.688 89 HE2 LYS 14 HE2 LYS 14 2.360 -9.040 1.060 90 HE3 LYS 14 HE1 LYS 14 1.189 -7.733 1.221 91 HZ1 LYS 14 HZ1 LYS 14 -0.462 -9.375 1.913 92 HZ2 LYS 14 HZ2 LYS 14 0.879 -9.379 2.940 93 HZ3 LYS 14 HZ3 LYS 14 0.692 -10.604 1.794 94 H CYS 15 HN CYS 15 0.308 -3.869 -1.758 95 HA CYS 15 HA CYS 15 -1.194 -3.453 0.649 96 HB2 CYS 15 HB2 CYS 15 0.539 -1.707 -1.056 97 HB3 CYS 15 HB1 CYS 15 -0.460 -1.021 0.214 98 H HIS 16 HN HIS 16 -1.728 -2.965 -2.750 99 HA HIS 16 HA HIS 16 -4.101 -1.448 -2.536 100 HB2 HIS 16 HB2 HIS 16 -3.018 -1.786 -4.697 101 HB3 HIS 16 HB1 HIS 16 -3.257 -3.524 -4.583 102 HD1 HIS 16 HD1 HIS 16 -5.050 -0.344 -5.410 103 HD2 HIS 16 HD2 HIS 16 -5.820 -4.421 -5.242 104 HE1 HIS 16 HE1 HIS 16 -7.272 -0.657 -6.532 105 HE2 HIS 16 HE2 HIS 16 -7.572 -3.153 -6.660 106 H ASN 17 HN ASN 17 -3.494 -4.921 -2.692 107 HA ASN 17 HA ASN 17 -6.072 -5.897 -2.341 108 HB2 ASN 17 HB2 ASN 17 -3.330 -6.962 -1.816 109 HB3 ASN 17 HB1 ASN 17 -4.705 -7.872 -1.216 110 HD21 ASN 17 HD21 ASN 17 -2.764 -8.589 -3.221 111 HD22 ASN 17 HD22 ASN 17 -3.649 -8.890 -4.672 112 H HIS 18 HN HIS 18 -3.686 -4.912 0.066 113 HA HIS 18 HA HIS 18 -4.977 -5.899 2.332 114 HB2 HIS 18 HB2 HIS 18 -2.794 -5.216 2.720 115 HB3 HIS 18 HB1 HIS 18 -2.993 -3.714 1.829 116 HD1 HIS 18 HD1 HIS 18 -4.322 -5.224 5.077 117 HD2 HIS 18 HD2 HIS 18 -3.194 -1.584 3.422 118 HE1 HIS 18 HE1 HIS 18 -4.620 -3.526 6.909 119 HE2 HIS 18 HE2 HIS 18 -3.718 -1.373 5.950 120 H CYS 19 HN CYS 19 -5.266 -2.735 0.744 121 HA CYS 19 HA CYS 19 -7.086 -1.725 2.687 122 HB2 CYS 19 HB2 CYS 19 -6.650 -0.709 -0.124 123 HB3 CYS 19 HB1 CYS 19 -7.298 0.189 1.244 124 H LYS 20 HN LYS 20 -7.442 -3.760 -0.060 125 HA LYS 20 HA LYS 20 -10.086 -3.119 -0.807 126 HB2 LYS 20 HB2 LYS 20 -8.741 -5.812 -1.024 127 HB3 LYS 20 HB1 LYS 20 -10.142 -5.266 -1.934 128 HG2 LYS 20 HG2 LYS 20 -7.441 -3.983 -2.087 129 HG3 LYS 20 HG1 LYS 20 -7.990 -5.241 -3.188 130 HD2 LYS 20 HD2 LYS 20 -9.558 -2.720 -2.801 131 HD3 LYS 20 HD1 LYS 20 -8.170 -2.766 -3.886 132 HE2 LYS 20 HE2 LYS 20 -10.161 -3.136 -5.170 133 HE3 LYS 20 HE1 LYS 20 -9.241 -4.635 -5.105 134 HZ1 LYS 20 HZ1 LYS 20 -11.560 -4.029 -3.354 135 HZ2 LYS 20 HZ2 LYS 20 -10.756 -5.509 -3.502 136 HZ3 LYS 20 HZ3 LYS 20 -11.662 -4.910 -4.792 137 H SER 21 HN SER 21 -8.758 -4.948 1.801 138 HA SER 21 HA SER 21 -11.336 -6.187 2.404 139 HB2 SER 21 HB2 SER 21 -8.640 -6.622 3.709 140 HB3 SER 21 HB1 SER 21 -10.094 -7.592 3.955 141 HG SER 21 HG SER 21 -9.811 -7.622 1.408 142 H ILE 22 HN ILE 22 -10.042 -3.294 2.992 143 HA ILE 22 HA ILE 22 -11.049 -3.166 5.748 144 HB ILE 22 HB ILE 22 -9.528 -1.024 4.279 145 HG12 ILE 22 HG12 ILE 22 -8.492 -3.057 6.251 146 HG13 ILE 22 HG11 ILE 22 -8.099 -3.011 4.538 147 HG21 ILE 22 HG21 ILE 22 -10.706 -0.032 6.027 148 HG22 ILE 22 HG22 ILE 22 -9.092 -0.297 6.685 149 HG23 ILE 22 HG23 ILE 22 -10.410 -1.385 7.118 150 HD11 ILE 22 HD11 ILE 22 -6.312 -2.090 5.896 151 HD12 ILE 22 HD12 ILE 22 -7.428 -0.894 6.558 152 HD13 ILE 22 HD13 ILE 22 -7.015 -0.862 4.843 153 H LYS 23 HN LYS 23 -12.701 -1.919 6.264 154 HA LYS 23 HA LYS 23 -14.982 -1.636 5.561 155 HB2 LYS 23 HB2 LYS 23 -14.972 1.031 5.442 156 HB3 LYS 23 HB1 LYS 23 -14.772 0.125 6.936 157 HG2 LYS 23 HG2 LYS 23 -12.341 0.339 6.709 158 HG3 LYS 23 HG1 LYS 23 -12.570 1.296 5.243 159 HD2 LYS 23 HD2 LYS 23 -12.163 2.745 7.136 160 HD3 LYS 23 HD1 LYS 23 -13.816 2.960 6.562 161 HE2 LYS 23 HE2 LYS 23 -14.664 1.594 8.362 162 HE3 LYS 23 HE1 LYS 23 -13.027 1.208 8.886 163 HZ1 LYS 23 HZ1 LYS 23 -14.029 2.922 10.261 164 HZ2 LYS 23 HZ2 LYS 23 -14.249 3.913 8.910 165 HZ3 LYS 23 HZ3 LYS 23 -12.687 3.530 9.431 166 H GLY 24 HN GLY 24 -13.969 1.190 3.812 167 HA2 GLY 24 HA2 GLY 24 -15.078 -0.026 1.360 168 HA3 GLY 24 HA1 GLY 24 -15.527 1.587 1.888 169 H TYR 25 HN TYR 25 -12.271 0.416 2.232 170 HA TYR 25 HA TYR 25 -11.226 2.547 0.649 171 HB2 TYR 25 HB2 TYR 25 -9.862 0.040 1.652 172 HB3 TYR 25 HB1 TYR 25 -9.041 1.422 0.940 173 HD1 TYR 25 HD1 TYR 25 -11.464 3.035 2.665 174 HD2 TYR 25 HD2 TYR 25 -8.071 0.589 3.430 175 HE1 TYR 25 HE1 TYR 25 -11.243 4.040 4.896 176 HE2 TYR 25 HE2 TYR 25 -7.846 1.579 5.662 177 HH TYR 25 HH TYR 25 -10.279 3.530 7.064 178 H LYS 26 HN LYS 26 -10.637 2.610 -1.428 179 HA LYS 26 HA LYS 26 -11.667 0.513 -3.136 180 HB2 LYS 26 HB2 LYS 26 -12.163 2.779 -3.741 181 HB3 LYS 26 HB1 LYS 26 -10.461 3.227 -3.662 182 HG2 LYS 26 HG2 LYS 26 -9.960 2.013 -5.632 183 HG3 LYS 26 HG1 LYS 26 -11.541 1.230 -5.634 184 HD2 LYS 26 HD2 LYS 26 -11.382 3.044 -7.301 185 HD3 LYS 26 HD1 LYS 26 -12.635 3.339 -6.097 186 HE2 LYS 26 HE2 LYS 26 -11.086 4.821 -4.888 187 HE3 LYS 26 HE1 LYS 26 -9.873 4.552 -6.137 188 HZ1 LYS 26 HZ1 LYS 26 -12.545 5.755 -6.597 189 HZ2 LYS 26 HZ2 LYS 26 -11.319 5.569 -7.746 190 HZ3 LYS 26 HZ3 LYS 26 -11.104 6.625 -6.446 191 H GLY 27 HN GLY 27 -8.555 1.893 -2.271 192 HA2 GLY 27 HA2 GLY 27 -7.219 -0.484 -3.171 193 HA3 GLY 27 HA1 GLY 27 -6.882 0.914 -4.179 194 H GLY 28 HN GLY 28 -4.700 0.074 -3.212 195 HA2 GLY 28 HA2 GLY 28 -3.995 1.989 -1.140 196 HA3 GLY 28 HA1 GLY 28 -3.736 0.296 -0.742 197 H TYR 29 HN TYR 29 -1.747 2.390 -0.985 198 HA TYR 29 HA TYR 29 0.072 1.093 -2.808 199 HB2 TYR 29 HB2 TYR 29 0.483 2.990 -4.251 200 HB3 TYR 29 HB1 TYR 29 -1.231 2.606 -4.313 201 HD1 TYR 29 HD1 TYR 29 1.102 5.211 -3.990 202 HD2 TYR 29 HD2 TYR 29 -2.717 3.962 -2.596 203 HE1 TYR 29 HE1 TYR 29 0.564 7.538 -3.409 204 HE2 TYR 29 HE2 TYR 29 -3.267 6.282 -2.008 205 HH TYR 29 HH TYR 29 -2.140 8.354 -1.479 206 H CYS 30 HN CYS 30 2.258 1.949 -2.616 207 HA CYS 30 HA CYS 30 2.814 2.901 0.035 208 HB2 CYS 30 HB2 CYS 30 5.040 3.014 -1.849 209 HB3 CYS 30 HB1 CYS 30 4.888 2.105 -0.349 210 H ALA 31 HN ALA 31 2.848 4.984 0.612 211 HA ALA 31 HA ALA 31 2.578 6.977 -1.492 212 HB1 ALA 31 HB1 ALA 31 1.915 8.494 0.272 213 HB2 ALA 31 HB2 ALA 31 2.380 7.312 1.495 214 HB3 ALA 31 HB3 ALA 31 1.028 6.975 0.413 215 H LYS 32 HN LYS 32 4.791 6.246 1.183 216 HA LYS 32 HA LYS 32 6.536 8.382 0.158 217 HB2 LYS 32 HB2 LYS 32 6.338 7.378 3.000 218 HB3 LYS 32 HB1 LYS 32 7.421 8.639 2.432 219 HG2 LYS 32 HG2 LYS 32 4.411 8.769 2.426 220 HG3 LYS 32 HG1 LYS 32 5.483 9.568 3.575 221 HD2 LYS 32 HD2 LYS 32 6.459 10.879 1.756 222 HD3 LYS 32 HD1 LYS 32 5.403 10.067 0.599 223 HE2 LYS 32 HE2 LYS 32 4.489 12.231 1.153 224 HE3 LYS 32 HE1 LYS 32 3.446 10.966 1.796 225 HZ1 LYS 32 HZ1 LYS 32 4.469 11.304 3.974 226 HZ2 LYS 32 HZ2 LYS 32 3.753 12.724 3.403 227 HZ3 LYS 32 HZ3 LYS 32 5.433 12.544 3.344 228 H GLY 33 HN GLY 33 7.355 6.662 -1.301 229 HA2 GLY 33 HA2 GLY 33 9.440 5.849 -1.877 230 HA3 GLY 33 HA1 GLY 33 9.943 6.041 -0.209 231 H GLY 34 HN GLY 34 7.164 4.161 -1.247 232 HA2 GLY 34 HA2 GLY 34 6.847 1.873 -1.339 233 HA3 GLY 34 HA1 GLY 34 8.587 1.671 -1.203 234 H PHE 35 HN PHE 35 6.935 3.558 1.182 235 HA PHE 35 HA PHE 35 7.304 1.350 3.087 236 HB2 PHE 35 HB2 PHE 35 7.532 4.327 3.433 237 HB3 PHE 35 HB1 PHE 35 7.308 3.260 4.814 238 HD1 PHE 35 HD1 PHE 35 9.604 4.381 2.217 239 HD2 PHE 35 HD2 PHE 35 9.051 1.699 5.471 240 HE1 PHE 35 HE1 PHE 35 12.027 3.957 2.273 241 HE2 PHE 35 HE2 PHE 35 11.472 1.272 5.536 242 HZ PHE 35 HZ PHE 35 12.963 2.401 3.935 243 H VAL 36 HN VAL 36 5.436 4.334 3.467 244 HA VAL 36 HA VAL 36 3.405 2.900 4.832 245 HB VAL 36 HB VAL 36 3.721 5.058 5.610 246 HG11 VAL 36 HG11 VAL 36 3.567 7.086 4.216 247 HG12 VAL 36 HG12 VAL 36 3.393 6.057 2.793 248 HG13 VAL 36 HG13 VAL 36 4.885 6.017 3.732 249 HG21 VAL 36 HG21 VAL 36 1.367 4.459 5.532 250 HG22 VAL 36 HG22 VAL 36 1.229 5.172 3.926 251 HG23 VAL 36 HG23 VAL 36 1.578 6.197 5.318 252 H CYS 37 HN CYS 37 1.986 1.704 3.959 253 HA CYS 37 HA CYS 37 1.026 2.069 1.273 254 HB2 CYS 37 HB2 CYS 37 0.266 0.072 3.413 255 HB3 CYS 37 HB1 CYS 37 -0.298 0.031 1.747 256 H LYS 38 HN LYS 38 0.004 4.016 1.348 257 HA LYS 38 HA LYS 38 -2.165 4.594 3.115 258 HB2 LYS 38 HB2 LYS 38 -0.803 6.338 1.953 259 HB3 LYS 38 HB1 LYS 38 -1.514 5.827 0.428 260 HG2 LYS 38 HG2 LYS 38 -3.769 6.306 1.660 261 HG3 LYS 38 HG1 LYS 38 -2.751 7.309 2.694 262 HD2 LYS 38 HD2 LYS 38 -1.999 8.582 0.794 263 HD3 LYS 38 HD1 LYS 38 -2.862 7.503 -0.302 264 HE2 LYS 38 HE2 LYS 38 -4.133 9.530 -0.021 265 HE3 LYS 38 HE1 LYS 38 -4.990 8.189 0.734 266 HZ1 LYS 38 HZ1 LYS 38 -5.025 10.154 2.128 267 HZ2 LYS 38 HZ2 LYS 38 -3.335 10.208 2.152 268 HZ3 LYS 38 HZ3 LYS 38 -4.148 8.920 2.883 269 H CYS 39 HN CYS 39 -4.392 4.857 2.385 270 HA CYS 39 HA CYS 39 -5.150 3.097 0.159 271 HB2 CYS 39 HB2 CYS 39 -6.668 3.284 2.771 272 HB3 CYS 39 HB1 CYS 39 -6.989 2.193 1.431 273 H TYR 40 HN TYR 40 -7.301 3.680 -0.748 274 HA TYR 40 HA TYR 40 -8.130 6.384 -0.005 275 HB2 TYR 40 HB2 TYR 40 -8.485 6.783 -2.530 276 HB3 TYR 40 HB1 TYR 40 -6.855 6.907 -1.882 277 HD1 TYR 40 HD1 TYR 40 -5.166 5.235 -2.443 278 HD2 TYR 40 HD2 TYR 40 -9.098 4.980 -4.039 279 HE1 TYR 40 HE1 TYR 40 -4.381 3.602 -4.104 280 HE2 TYR 40 HE2 TYR 40 -8.322 3.346 -5.706 281 HH TYR 40 HH TYR 40 -5.314 1.799 -5.493 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 3.542 -3.606 8.992 2 H2 GLY 1 HT2 GLY 1 5.156 -3.287 8.605 3 H3 GLY 1 HT3 GLY 1 4.494 -4.811 8.293 4 HA2 GLY 1 HA1 GLY 1 3.663 -2.282 6.995 5 HA3 GLY 1 HA2 GLY 1 4.695 -3.504 6.267 6 H PHE 2 HN PHE 2 2.542 -2.874 4.870 7 HA PHE 2 HA PHE 2 0.711 -5.126 5.368 8 HB2 PHE 2 HB2 PHE 2 0.020 -2.503 4.031 9 HB3 PHE 2 HB1 PHE 2 -1.089 -3.828 4.363 10 HD1 PHE 2 HD1 PHE 2 0.441 -0.859 5.628 11 HD2 PHE 2 HD2 PHE 2 -1.563 -4.432 6.756 12 HE1 PHE 2 HE1 PHE 2 -0.074 0.129 7.817 13 HE2 PHE 2 HE2 PHE 2 -2.087 -3.453 8.949 14 HZ PHE 2 HZ PHE 2 -1.346 -1.175 9.486 15 H GLY 3 HN GLY 3 3.228 -4.641 3.724 16 HA2 GLY 3 HA2 GLY 3 3.083 -6.337 1.693 17 HA3 GLY 3 HA1 GLY 3 2.272 -4.940 0.995 18 H CYS 4 HN CYS 4 3.500 -2.851 1.139 19 HA CYS 4 HA CYS 4 6.071 -3.157 0.036 20 HB2 CYS 4 HB2 CYS 4 4.911 -0.622 1.195 21 HB3 CYS 4 HB1 CYS 4 6.075 -0.784 -0.100 22 H ASN 5 HN ASN 5 7.670 -3.946 1.256 23 HA ASN 5 HA ASN 5 8.065 -2.856 3.960 24 HB2 ASN 5 HB2 ASN 5 9.149 -5.389 2.703 25 HB3 ASN 5 HB1 ASN 5 9.557 -4.815 4.314 26 HD21 ASN 5 HD21 ASN 5 6.945 -3.890 4.946 27 HD22 ASN 5 HD22 ASN 5 5.960 -5.287 5.218 28 H GLY 6 HN GLY 6 8.761 -1.221 1.880 29 HA2 GLY 6 HA2 GLY 6 10.857 0.086 1.998 30 HA3 GLY 6 HA1 GLY 6 11.704 -1.444 1.812 31 HA PRO 7 HA PRO 7 11.002 0.994 -2.298 32 HB2 PRO 7 HB2 PRO 7 13.845 0.368 -2.567 33 HB3 PRO 7 HB1 PRO 7 13.018 1.913 -2.757 34 HG2 PRO 7 HG2 PRO 7 14.609 1.102 -0.595 35 HG3 PRO 7 HG1 PRO 7 13.576 2.536 -0.672 36 HD2 PRO 7 HD2 PRO 7 13.241 0.182 0.913 37 HD3 PRO 7 HD1 PRO 7 12.203 1.614 0.841 38 H TRP 8 HN TRP 8 13.500 -1.491 -1.919 39 HA TRP 8 HA TRP 8 13.209 -2.736 -4.352 40 HB2 TRP 8 HB2 TRP 8 14.368 -4.651 -3.278 41 HB3 TRP 8 HB1 TRP 8 15.133 -3.106 -2.975 42 HD1 TRP 8 HD1 TRP 8 12.997 -2.399 -0.500 43 HE1 TRP 8 HE1 TRP 8 13.479 -3.482 1.761 44 HE3 TRP 8 HE3 TRP 8 15.955 -6.260 -2.079 45 HZ2 TRP 8 HZ2 TRP 8 14.910 -5.706 2.764 46 HZ3 TRP 8 HZ3 TRP 8 16.837 -7.825 -0.398 47 HH2 TRP 8 HH2 TRP 8 16.325 -7.552 1.973 48 H GLN 9 HN GLN 9 11.289 -3.093 -1.508 49 HA GLN 9 HA GLN 9 10.008 -5.517 -2.409 50 HB2 GLN 9 HB2 GLN 9 9.147 -3.647 -0.197 51 HB3 GLN 9 HB1 GLN 9 8.658 -5.320 -0.424 52 HG2 GLN 9 HG2 GLN 9 11.501 -4.514 0.070 53 HG3 GLN 9 HG1 GLN 9 10.380 -4.869 1.365 54 HE21 GLN 9 HE21 GLN 9 11.599 -6.602 2.073 55 HE22 GLN 9 HE22 GLN 9 11.677 -8.097 1.209 56 H GLU 10 HN GLU 10 8.619 -2.390 -1.474 57 HA GLU 10 HA GLU 10 6.620 -1.456 -2.066 58 HB2 GLU 10 HB2 GLU 10 8.452 -1.436 -4.376 59 HB3 GLU 10 HB1 GLU 10 6.781 -1.007 -4.721 60 HG2 GLU 10 HG2 GLU 10 6.874 0.722 -3.002 61 HG3 GLU 10 HG1 GLU 10 8.546 0.296 -2.656 62 H ASP 11 HN ASP 11 5.823 -3.833 -1.606 63 HA ASP 11 HA ASP 11 4.523 -5.117 -3.797 64 HB2 ASP 11 HB2 ASP 11 4.198 -5.351 -0.803 65 HB3 ASP 11 HB1 ASP 11 3.261 -6.300 -1.945 66 H ASP 12 HN ASP 12 3.707 -3.053 -4.593 67 HA ASP 12 HA ASP 12 1.897 -1.386 -3.360 68 HB2 ASP 12 HB2 ASP 12 1.374 -0.597 -5.572 69 HB3 ASP 12 HB1 ASP 12 3.068 -1.035 -5.530 70 H LEU 13 HN LEU 13 1.256 -4.182 -5.393 71 HA LEU 13 HA LEU 13 -1.545 -3.931 -5.306 72 HB2 LEU 13 HB2 LEU 13 -0.222 -5.198 -7.012 73 HB3 LEU 13 HB1 LEU 13 -0.016 -6.466 -5.819 74 HG LEU 13 HG LEU 13 -2.493 -6.702 -5.697 75 HD11 LEU 13 HD11 LEU 13 -2.436 -4.794 -8.028 76 HD12 LEU 13 HD12 LEU 13 -3.109 -4.474 -6.428 77 HD13 LEU 13 HD13 LEU 13 -3.844 -5.695 -7.466 78 HD21 LEU 13 HD21 LEU 13 -1.169 -8.195 -7.085 79 HD22 LEU 13 HD22 LEU 13 -1.255 -7.051 -8.426 80 HD23 LEU 13 HD23 LEU 13 -2.720 -7.846 -7.848 81 H LYS 14 HN LYS 14 0.707 -5.662 -3.220 82 HA LYS 14 HA LYS 14 -1.311 -7.174 -1.886 83 HB2 LYS 14 HB2 LYS 14 1.450 -7.163 -1.858 84 HB3 LYS 14 HB1 LYS 14 1.052 -6.518 -0.272 85 HG2 LYS 14 HG2 LYS 14 0.036 -9.121 -1.403 86 HG3 LYS 14 HG1 LYS 14 1.355 -8.950 -0.247 87 HD2 LYS 14 HD2 LYS 14 -1.403 -7.893 0.320 88 HD3 LYS 14 HD1 LYS 14 -0.956 -9.565 0.665 89 HE2 LYS 14 HE2 LYS 14 0.553 -7.177 1.719 90 HE3 LYS 14 HE1 LYS 14 -0.746 -7.978 2.602 91 HZ1 LYS 14 HZ1 LYS 14 1.758 -9.290 1.694 92 HZ2 LYS 14 HZ2 LYS 14 0.529 -10.012 2.597 93 HZ3 LYS 14 HZ3 LYS 14 1.451 -8.766 3.269 94 H CYS 15 HN CYS 15 0.198 -4.017 -1.299 95 HA CYS 15 HA CYS 15 -1.286 -3.498 1.062 96 HB2 CYS 15 HB2 CYS 15 0.228 -1.742 -0.864 97 HB3 CYS 15 HB1 CYS 15 -0.621 -1.099 0.528 98 H HIS 16 HN HIS 16 -1.769 -2.811 -2.376 99 HA HIS 16 HA HIS 16 -4.194 -1.456 -2.289 100 HB2 HIS 16 HB2 HIS 16 -3.016 -1.820 -4.373 101 HB3 HIS 16 HB1 HIS 16 -3.173 -3.562 -4.212 102 HD1 HIS 16 HD1 HIS 16 -4.891 -0.580 -5.517 103 HD2 HIS 16 HD2 HIS 16 -5.796 -4.558 -4.768 104 HE1 HIS 16 HE1 HIS 16 -7.043 -1.023 -6.727 105 HE2 HIS 16 HE2 HIS 16 -7.401 -3.502 -6.492 106 H ASN 17 HN ASN 17 -3.689 -4.946 -2.566 107 HA ASN 17 HA ASN 17 -6.327 -5.766 -2.243 108 HB2 ASN 17 HB2 ASN 17 -3.686 -7.137 -1.804 109 HB3 ASN 17 HB1 ASN 17 -5.208 -7.979 -1.558 110 HD21 ASN 17 HD21 ASN 17 -3.075 -8.421 -3.511 111 HD22 ASN 17 HD22 ASN 17 -3.829 -8.320 -5.060 112 H HIS 18 HN HIS 18 -3.888 -5.007 0.169 113 HA HIS 18 HA HIS 18 -5.282 -5.986 2.413 114 HB2 HIS 18 HB2 HIS 18 -3.076 -5.445 2.903 115 HB3 HIS 18 HB1 HIS 18 -3.135 -3.940 1.993 116 HD1 HIS 18 HD1 HIS 18 -4.582 -5.349 5.233 117 HD2 HIS 18 HD2 HIS 18 -3.374 -1.757 3.531 118 HE1 HIS 18 HE1 HIS 18 -4.885 -3.611 7.031 119 HE2 HIS 18 HE2 HIS 18 -3.965 -1.484 6.035 120 H CYS 19 HN CYS 19 -5.240 -2.758 0.902 121 HA CYS 19 HA CYS 19 -7.094 -1.611 2.701 122 HB2 CYS 19 HB2 CYS 19 -6.561 -0.765 -0.154 123 HB3 CYS 19 HB1 CYS 19 -7.231 0.228 1.134 124 H LYS 20 HN LYS 20 -7.462 -3.474 -0.237 125 HA LYS 20 HA LYS 20 -10.112 -2.961 -0.899 126 HB2 LYS 20 HB2 LYS 20 -8.711 -5.639 -1.025 127 HB3 LYS 20 HB1 LYS 20 -10.136 -5.172 -1.941 128 HG2 LYS 20 HG2 LYS 20 -7.522 -3.727 -2.177 129 HG3 LYS 20 HG1 LYS 20 -7.925 -5.133 -3.162 130 HD2 LYS 20 HD2 LYS 20 -9.720 -2.738 -3.022 131 HD3 LYS 20 HD1 LYS 20 -8.355 -2.815 -4.139 132 HE2 LYS 20 HE2 LYS 20 -9.239 -4.791 -5.169 133 HE3 LYS 20 HE1 LYS 20 -10.547 -4.879 -3.989 134 HZ1 LYS 20 HZ1 LYS 20 -10.155 -2.742 -6.013 135 HZ2 LYS 20 HZ2 LYS 20 -11.378 -2.763 -4.849 136 HZ3 LYS 20 HZ3 LYS 20 -11.337 -3.950 -6.048 137 H SER 21 HN SER 21 -8.754 -5.086 1.544 138 HA SER 21 HA SER 21 -11.306 -6.248 2.209 139 HB2 SER 21 HB2 SER 21 -8.637 -6.514 3.607 140 HB3 SER 21 HB1 SER 21 -10.049 -7.551 3.834 141 HG SER 21 HG SER 21 -9.477 -7.418 1.227 142 H ILE 22 HN ILE 22 -9.915 -3.326 2.911 143 HA ILE 22 HA ILE 22 -11.055 -3.187 5.605 144 HB ILE 22 HB ILE 22 -9.632 -0.993 4.111 145 HG12 ILE 22 HG12 ILE 22 -8.511 -2.911 6.155 146 HG13 ILE 22 HG11 ILE 22 -8.107 -2.904 4.442 147 HG21 ILE 22 HG21 ILE 22 -10.421 -1.344 6.988 148 HG22 ILE 22 HG22 ILE 22 -10.971 -0.106 5.854 149 HG23 ILE 22 HG23 ILE 22 -9.302 -0.104 6.426 150 HD11 ILE 22 HD11 ILE 22 -7.137 -0.686 4.690 151 HD12 ILE 22 HD12 ILE 22 -6.378 -1.847 5.780 152 HD13 ILE 22 HD13 ILE 22 -7.560 -0.693 6.401 153 H LYS 23 HN LYS 23 -12.769 -2.017 6.094 154 HA LYS 23 HA LYS 23 -15.060 -1.887 5.388 155 HB2 LYS 23 HB2 LYS 23 -15.133 0.804 5.092 156 HB3 LYS 23 HB1 LYS 23 -15.059 -0.041 6.632 157 HG2 LYS 23 HG2 LYS 23 -12.651 0.231 6.676 158 HG3 LYS 23 HG1 LYS 23 -12.698 1.036 5.108 159 HD2 LYS 23 HD2 LYS 23 -12.512 2.668 6.888 160 HD3 LYS 23 HD1 LYS 23 -14.077 2.822 6.091 161 HE2 LYS 23 HE2 LYS 23 -13.858 1.095 8.511 162 HE3 LYS 23 HE1 LYS 23 -13.864 2.844 8.720 163 HZ1 LYS 23 HZ1 LYS 23 -15.975 2.927 7.526 164 HZ2 LYS 23 HZ2 LYS 23 -16.086 1.949 8.899 165 HZ3 LYS 23 HZ3 LYS 23 -15.976 1.245 7.368 166 H GLY 24 HN GLY 24 -14.074 0.875 3.488 167 HA2 GLY 24 HA2 GLY 24 -15.084 -0.491 1.080 168 HA3 GLY 24 HA1 GLY 24 -15.701 1.087 1.547 169 H TYR 25 HN TYR 25 -12.361 0.172 1.958 170 HA TYR 25 HA TYR 25 -11.434 2.429 0.503 171 HB2 TYR 25 HB2 TYR 25 -9.974 -0.046 1.433 172 HB3 TYR 25 HB1 TYR 25 -9.184 1.353 0.722 173 HD1 TYR 25 HD1 TYR 25 -11.753 2.772 2.511 174 HD2 TYR 25 HD2 TYR 25 -8.095 0.696 3.148 175 HE1 TYR 25 HE1 TYR 25 -11.556 3.806 4.734 176 HE2 TYR 25 HE2 TYR 25 -7.896 1.708 5.373 177 HH TYR 25 HH TYR 25 -10.458 3.393 6.870 178 H LYS 26 HN LYS 26 -10.521 2.612 -1.494 179 HA LYS 26 HA LYS 26 -11.559 0.712 -3.430 180 HB2 LYS 26 HB2 LYS 26 -11.973 3.063 -3.825 181 HB3 LYS 26 HB1 LYS 26 -10.252 3.416 -3.745 182 HG2 LYS 26 HG2 LYS 26 -9.828 2.343 -5.786 183 HG3 LYS 26 HG1 LYS 26 -11.410 1.564 -5.797 184 HD2 LYS 26 HD2 LYS 26 -11.411 3.374 -7.388 185 HD3 LYS 26 HD1 LYS 26 -12.468 3.788 -6.042 186 HE2 LYS 26 HE2 LYS 26 -9.615 4.707 -6.112 187 HE3 LYS 26 HE1 LYS 26 -10.864 5.583 -6.984 188 HZ1 LYS 26 HZ1 LYS 26 -10.639 6.611 -4.895 189 HZ2 LYS 26 HZ2 LYS 26 -10.667 5.147 -4.052 190 HZ3 LYS 26 HZ3 LYS 26 -12.073 5.721 -4.802 191 H GLY 27 HN GLY 27 -8.431 2.019 -2.426 192 HA2 GLY 27 HA2 GLY 27 -7.116 -0.322 -3.456 193 HA3 GLY 27 HA1 GLY 27 -6.743 1.136 -4.358 194 H GLY 28 HN GLY 28 -4.590 0.197 -3.438 195 HA2 GLY 28 HA2 GLY 28 -3.828 1.954 -1.267 196 HA3 GLY 28 HA1 GLY 28 -3.713 0.239 -0.894 197 H TYR 29 HN TYR 29 -1.548 2.169 -1.038 198 HA TYR 29 HA TYR 29 0.229 0.758 -2.804 199 HB2 TYR 29 HB2 TYR 29 0.788 2.609 -4.265 200 HB3 TYR 29 HB1 TYR 29 -0.937 2.295 -4.381 201 HD1 TYR 29 HD1 TYR 29 1.482 4.812 -4.053 202 HD2 TYR 29 HD2 TYR 29 -2.413 3.740 -2.717 203 HE1 TYR 29 HE1 TYR 29 1.018 7.171 -3.540 204 HE2 TYR 29 HE2 TYR 29 -2.886 6.093 -2.193 205 HH TYR 29 HH TYR 29 -0.752 8.657 -3.150 206 H CYS 30 HN CYS 30 2.453 1.455 -2.556 207 HA CYS 30 HA CYS 30 3.027 2.469 0.058 208 HB2 CYS 30 HB2 CYS 30 5.295 2.434 -1.763 209 HB3 CYS 30 HB1 CYS 30 5.035 1.519 -0.282 210 H ALA 31 HN ALA 31 3.198 4.560 0.596 211 HA ALA 31 HA ALA 31 2.899 6.500 -1.545 212 HB1 ALA 31 HB1 ALA 31 2.842 6.958 1.429 213 HB2 ALA 31 HB2 ALA 31 1.439 6.549 0.445 214 HB3 ALA 31 HB3 ALA 31 2.294 8.065 0.173 215 H LYS 32 HN LYS 32 5.143 5.973 1.181 216 HA LYS 32 HA LYS 32 6.934 7.925 -0.099 217 HB2 LYS 32 HB2 LYS 32 6.543 7.353 2.837 218 HB3 LYS 32 HB1 LYS 32 7.827 8.366 2.197 219 HG2 LYS 32 HG2 LYS 32 4.879 8.888 1.859 220 HG3 LYS 32 HG1 LYS 32 5.927 9.666 3.048 221 HD2 LYS 32 HD2 LYS 32 7.291 10.590 1.236 222 HD3 LYS 32 HD1 LYS 32 6.240 9.817 0.050 223 HE2 LYS 32 HE2 LYS 32 4.344 11.134 0.898 224 HE3 LYS 32 HE1 LYS 32 5.423 11.926 2.045 225 HZ1 LYS 32 HZ1 LYS 32 5.063 13.286 0.086 226 HZ2 LYS 32 HZ2 LYS 32 5.654 12.055 -0.913 227 HZ3 LYS 32 HZ3 LYS 32 6.685 12.818 0.189 228 H GLY 33 HN GLY 33 7.736 6.007 -1.293 229 HA2 GLY 33 HA2 GLY 33 9.825 5.084 -1.699 230 HA3 GLY 33 HA1 GLY 33 10.262 5.397 -0.029 231 H GLY 34 HN GLY 34 7.366 3.653 -0.848 232 HA2 GLY 34 HA2 GLY 34 6.874 1.392 -0.758 233 HA3 GLY 34 HA1 GLY 34 8.590 1.060 -0.634 234 H PHE 35 HN PHE 35 7.468 3.315 1.645 235 HA PHE 35 HA PHE 35 7.761 1.313 3.748 236 HB2 PHE 35 HB2 PHE 35 7.780 4.323 3.718 237 HB3 PHE 35 HB1 PHE 35 7.660 3.427 5.226 238 HD1 PHE 35 HD1 PHE 35 9.769 3.904 2.221 239 HD2 PHE 35 HD2 PHE 35 9.581 2.563 6.251 240 HE1 PHE 35 HE1 PHE 35 12.217 3.681 2.257 241 HE2 PHE 35 HE2 PHE 35 12.028 2.338 6.297 242 HZ PHE 35 HZ PHE 35 13.350 2.884 4.300 243 H VAL 36 HN VAL 36 5.686 4.173 3.545 244 HA VAL 36 HA VAL 36 3.625 2.850 5.053 245 HB VAL 36 HB VAL 36 3.945 5.122 5.597 246 HG11 VAL 36 HG11 VAL 36 5.130 5.882 3.665 247 HG12 VAL 36 HG12 VAL 36 3.746 6.948 3.929 248 HG13 VAL 36 HG13 VAL 36 3.687 5.718 2.666 249 HG21 VAL 36 HG21 VAL 36 1.592 4.468 5.546 250 HG22 VAL 36 HG22 VAL 36 1.479 4.998 3.865 251 HG23 VAL 36 HG23 VAL 36 1.788 6.174 5.142 252 H CYS 37 HN CYS 37 1.791 1.994 4.312 253 HA CYS 37 HA CYS 37 1.256 2.175 1.443 254 HB2 CYS 37 HB2 CYS 37 0.566 0.067 3.481 255 HB3 CYS 37 HB1 CYS 37 -0.198 0.134 1.899 256 H LYS 38 HN LYS 38 0.022 3.844 1.176 257 HA LYS 38 HA LYS 38 -2.092 4.570 3.004 258 HB2 LYS 38 HB2 LYS 38 -0.664 6.236 1.797 259 HB3 LYS 38 HB1 LYS 38 -1.403 5.716 0.290 260 HG2 LYS 38 HG2 LYS 38 -3.633 6.327 1.462 261 HG3 LYS 38 HG1 LYS 38 -2.600 7.262 2.545 262 HD2 LYS 38 HD2 LYS 38 -1.680 8.470 0.638 263 HD3 LYS 38 HD1 LYS 38 -2.681 7.509 -0.451 264 HE2 LYS 38 HE2 LYS 38 -3.677 9.692 -0.082 265 HE3 LYS 38 HE1 LYS 38 -4.697 8.419 0.587 266 HZ1 LYS 38 HZ1 LYS 38 -2.809 10.083 2.168 267 HZ2 LYS 38 HZ2 LYS 38 -3.886 8.933 2.782 268 HZ3 LYS 38 HZ3 LYS 38 -4.476 10.345 2.066 269 H CYS 39 HN CYS 39 -4.305 4.893 2.207 270 HA CYS 39 HA CYS 39 -5.086 3.056 0.055 271 HB2 CYS 39 HB2 CYS 39 -6.613 3.319 2.651 272 HB3 CYS 39 HB1 CYS 39 -6.927 2.196 1.341 273 H TYR 40 HN TYR 40 -7.083 3.642 -0.964 274 HA TYR 40 HA TYR 40 -8.179 6.241 -0.229 275 HB2 TYR 40 HB2 TYR 40 -8.097 6.945 -2.640 276 HB3 TYR 40 HB1 TYR 40 -6.531 6.872 -1.846 277 HD1 TYR 40 HD1 TYR 40 -4.829 5.393 -2.638 278 HD2 TYR 40 HD2 TYR 40 -8.754 5.170 -4.251 279 HE1 TYR 40 HE1 TYR 40 -3.998 3.950 -4.447 280 HE2 TYR 40 HE2 TYR 40 -7.937 3.727 -6.059 281 HH TYR 40 HH TYR 40 -5.715 3.357 -7.231
Contact the webmaster for help, if required. Thursday, July 4, 2024 7:35:40 PM GMT (wattos1)