NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627661 | 6buc | 30378 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 0.092 -13.727 -8.082 2 H2 ALA 1 HT2 ALA 1 1.103 -13.298 -6.784 3 H3 ALA 1 HT3 ALA 1 1.630 -13.068 -8.384 4 HA ALA 1 HA ALA 1 0.483 -11.208 -6.817 5 HB1 ALA 1 HB1 ALA 1 0.354 -9.828 -8.902 6 HB2 ALA 1 HB2 ALA 1 0.455 -11.337 -9.886 7 HB3 ALA 1 HB3 ALA 1 1.864 -10.814 -8.889 8 H CYS 2 HN CYS 2 -1.396 -13.359 -6.576 9 HA CYS 2 HA CYS 2 -3.668 -12.492 -8.161 10 HB2 CYS 2 HB2 CYS 2 -3.133 -14.812 -6.252 11 HB3 CYS 2 HB1 CYS 2 -4.827 -14.292 -6.549 12 H LYS 3 HN LYS 3 -3.882 -10.323 -7.296 13 HA LYS 3 HA LYS 3 -5.091 -10.418 -4.637 14 HB2 LYS 3 HB2 LYS 3 -3.112 -8.277 -5.626 15 HB3 LYS 3 HB1 LYS 3 -4.076 -8.170 -4.109 16 HG2 LYS 3 HG2 LYS 3 -2.937 -10.207 -3.226 17 HG3 LYS 3 HG1 LYS 3 -1.979 -10.334 -4.742 18 HD2 LYS 3 HD2 LYS 3 -0.968 -8.091 -4.286 19 HD3 LYS 3 HD1 LYS 3 -1.924 -7.967 -2.769 20 HE2 LYS 3 HE2 LYS 3 -0.750 -9.992 -1.857 21 HE3 LYS 3 HE1 LYS 3 0.208 -10.126 -3.391 22 HZ1 LYS 3 HZ1 LYS 3 1.571 -8.962 -2.010 23 HZ2 LYS 3 HZ2 LYS 3 0.323 -8.081 -1.270 24 HZ3 LYS 3 HZ3 LYS 3 0.812 -7.696 -2.850 25 H ASP 4 HN ASP 4 -6.805 -8.819 -4.360 26 HA ASP 4 HA ASP 4 -7.388 -7.366 -6.828 27 HB2 ASP 4 HB2 ASP 4 -9.468 -8.905 -5.163 28 HB3 ASP 4 HB1 ASP 4 -9.819 -7.869 -6.593 29 H ASN 5 HN ASN 5 -7.195 -5.244 -6.187 30 HA ASN 5 HA ASN 5 -8.069 -4.660 -3.455 31 HB2 ASN 5 HB2 ASN 5 -6.547 -2.975 -5.529 32 HB3 ASN 5 HB1 ASN 5 -7.107 -2.334 -3.942 33 HD21 ASN 5 HD21 ASN 5 -4.357 -2.427 -4.848 34 HD22 ASN 5 HD22 ASN 5 -3.483 -3.473 -3.779 35 H LEU 6 HN LEU 6 -9.193 -4.837 -6.632 36 HA LEU 6 HA LEU 6 -11.294 -2.915 -5.977 37 HB2 LEU 6 HB2 LEU 6 -10.088 -3.506 -8.756 38 HB3 LEU 6 HB1 LEU 6 -11.544 -2.497 -8.467 39 HG LEU 6 HG LEU 6 -8.797 -1.872 -7.296 40 HD11 LEU 6 HD11 LEU 6 -8.333 -1.603 -9.571 41 HD12 LEU 6 HD12 LEU 6 -8.933 0.043 -9.124 42 HD13 LEU 6 HD13 LEU 6 -10.026 -1.116 -9.969 43 HD21 LEU 6 HD21 LEU 6 -10.432 -0.754 -5.969 44 HD22 LEU 6 HD22 LEU 6 -11.454 -0.353 -7.402 45 HD23 LEU 6 HD23 LEU 6 -9.880 0.493 -7.151 46 HA PRO 7 HA PRO 7 -13.948 -6.293 -6.622 47 HB2 PRO 7 HB2 PRO 7 -16.065 -5.125 -7.978 48 HB3 PRO 7 HB1 PRO 7 -15.779 -4.944 -6.194 49 HG2 PRO 7 HG2 PRO 7 -15.091 -3.062 -8.473 50 HG3 PRO 7 HG1 PRO 7 -15.733 -2.688 -6.830 51 HD2 PRO 7 HD2 PRO 7 -13.080 -2.368 -7.484 52 HD3 PRO 7 HD1 PRO 7 -13.618 -2.839 -5.820 53 H ALA 8 HN ALA 8 -14.891 -7.740 -8.201 54 HA ALA 8 HA ALA 8 -13.247 -7.931 -10.457 55 HB1 ALA 8 HB1 ALA 8 -15.978 -9.281 -10.152 56 HB2 ALA 8 HB2 ALA 8 -14.502 -9.892 -9.311 57 HB3 ALA 8 HB3 ALA 8 -14.567 -9.865 -11.115 58 H ALA 9 HN ALA 9 -16.515 -6.587 -9.868 59 HA ALA 9 HA ALA 9 -17.208 -6.355 -12.568 60 HB1 ALA 9 HB1 ALA 9 -18.697 -4.400 -11.793 61 HB2 ALA 9 HB2 ALA 9 -18.001 -4.644 -10.145 62 HB3 ALA 9 HB3 ALA 9 -18.973 -5.953 -10.917 63 H THR 10 HN THR 10 -15.324 -4.198 -10.346 64 HA THR 10 HA THR 10 -15.157 -2.151 -12.338 65 HB THR 10 HB THR 10 -13.513 -2.660 -9.818 66 HG1 THR 10 HG1 THR 10 -15.034 -0.399 -10.155 67 HG21 THR 10 HG21 THR 10 -12.026 -1.478 -11.275 68 HG22 THR 10 HG22 THR 10 -12.816 -0.179 -10.301 69 HG23 THR 10 HG23 THR 10 -13.362 -0.499 -11.991 70 H CYS 11 HN CYS 11 -12.988 -4.794 -11.136 71 HA CYS 11 HA CYS 11 -10.834 -4.088 -12.781 72 HB2 CYS 11 HB2 CYS 11 -11.730 -6.844 -11.775 73 HB3 CYS 11 HB1 CYS 11 -10.191 -6.551 -12.647 74 H SER 12 HN SER 12 -13.820 -5.930 -13.399 75 HA SER 12 HA SER 12 -12.999 -7.014 -15.853 76 HB2 SER 12 HB2 SER 12 -15.813 -6.235 -14.899 77 HB3 SER 12 HB1 SER 12 -15.468 -7.175 -16.406 78 HG SER 12 HG SER 12 -14.857 -7.880 -13.720 79 H ASN 13 HN ASN 13 -14.557 -3.936 -14.881 80 HA ASN 13 HA ASN 13 -14.854 -3.080 -17.575 81 HB2 ASN 13 HB2 ASN 13 -14.967 -1.691 -14.865 82 HB3 ASN 13 HB1 ASN 13 -14.896 -0.708 -16.371 83 HD21 ASN 13 HD21 ASN 13 -16.886 -2.703 -14.280 84 HD22 ASN 13 HD22 ASN 13 -18.360 -2.567 -15.178 85 H VAL 14 HN VAL 14 -12.343 -2.925 -15.061 86 HA VAL 14 HA VAL 14 -10.741 -0.979 -16.310 87 HB VAL 14 HB VAL 14 -10.078 -3.333 -14.496 88 HG11 VAL 14 HG11 VAL 14 -7.800 -2.483 -14.345 89 HG12 VAL 14 HG12 VAL 14 -8.213 -0.974 -15.235 90 HG13 VAL 14 HG13 VAL 14 -8.160 -2.548 -16.107 91 HG21 VAL 14 HG21 VAL 14 -10.131 -1.715 -12.745 92 HG22 VAL 14 HG22 VAL 14 -11.550 -1.301 -13.771 93 HG23 VAL 14 HG23 VAL 14 -10.042 -0.332 -13.891 94 H LYS 15 HN LYS 15 -10.934 -4.547 -16.495 95 HA LYS 15 HA LYS 15 -8.795 -4.695 -18.331 96 HB2 LYS 15 HB2 LYS 15 -9.168 -6.764 -17.280 97 HB3 LYS 15 HB1 LYS 15 -10.961 -6.551 -17.309 98 HG2 LYS 15 HG2 LYS 15 -9.673 -6.731 -20.010 99 HG3 LYS 15 HG1 LYS 15 -9.496 -8.204 -19.000 100 HD2 LYS 15 HD2 LYS 15 -12.041 -8.043 -18.564 101 HD3 LYS 15 HD1 LYS 15 -12.089 -6.794 -19.859 102 HE2 LYS 15 HE2 LYS 15 -11.148 -8.448 -21.495 103 HE3 LYS 15 HE1 LYS 15 -11.083 -9.705 -20.190 104 HZ1 LYS 15 HZ1 LYS 15 -13.630 -8.734 -20.095 105 HZ2 LYS 15 HZ2 LYS 15 -13.117 -10.185 -20.816 106 HZ3 LYS 15 HZ3 LYS 15 -13.287 -8.782 -21.757 107 H ALA 16 HN ALA 16 -12.366 -4.365 -18.511 108 HA ALA 16 HA ALA 16 -12.376 -4.784 -21.361 109 HB1 ALA 16 HB1 ALA 16 -14.735 -4.099 -21.315 110 HB2 ALA 16 HB2 ALA 16 -14.516 -3.346 -19.690 111 HB3 ALA 16 HB3 ALA 16 -14.445 -5.138 -19.871 112 H ASN 17 HN ASN 17 -11.192 -2.317 -19.392 113 HA ASN 17 HA ASN 17 -11.825 -0.323 -21.470 114 HB2 ASN 17 HB2 ASN 17 -11.344 -0.111 -18.489 115 HB3 ASN 17 HB1 ASN 17 -10.622 1.185 -19.516 116 HD21 ASN 17 HD21 ASN 17 -13.655 -0.357 -18.424 117 HD22 ASN 17 HD22 ASN 17 -14.716 0.919 -18.934 118 H ASN 18 HN ASN 18 -9.548 -2.587 -20.459 119 HA ASN 18 HA ASN 18 -7.395 -2.863 -21.000 120 HB2 ASN 18 HB2 ASN 18 -7.669 -0.355 -22.767 121 HB3 ASN 18 HB1 ASN 18 -6.315 -1.538 -22.821 122 HD21 ASN 18 HD21 ASN 18 -8.900 -0.581 -24.554 123 HD22 ASN 18 HD22 ASN 18 -9.417 -2.080 -25.252 124 H ASN 19 HN ASN 19 -8.456 -0.986 -18.807 125 HA ASN 19 HA ASN 19 -6.324 0.962 -18.664 126 HB2 ASN 19 HB2 ASN 19 -8.575 0.183 -16.728 127 HB3 ASN 19 HB1 ASN 19 -7.289 1.366 -16.293 128 HD21 ASN 19 HD21 ASN 19 -10.073 1.996 -16.341 129 HD22 ASN 19 HD22 ASN 19 -10.353 3.157 -17.595 130 H CYS 20 HN CYS 20 -6.615 -2.336 -18.303 131 HA CYS 20 HA CYS 20 -5.212 -2.678 -15.861 132 HB2 CYS 20 HB2 CYS 20 -6.303 -4.395 -17.955 133 HB3 CYS 20 HB1 CYS 20 -4.585 -4.839 -17.665 134 H SER 21 HN SER 21 -4.347 -1.275 -18.830 135 HA SER 21 HA SER 21 -1.623 -2.272 -18.713 136 HB2 SER 21 HB2 SER 21 -2.912 -0.155 -20.554 137 HB3 SER 21 HB1 SER 21 -1.214 -0.765 -20.698 138 HG SER 21 HG SER 21 -3.484 -1.801 -21.638 139 H SER 22 HN SER 22 -3.467 -0.188 -16.921 140 HA SER 22 HA SER 22 -1.379 1.859 -16.826 141 HB2 SER 22 HB2 SER 22 -3.761 2.712 -16.919 142 HB3 SER 22 HB1 SER 22 -4.123 1.763 -15.423 143 HG SER 22 HG SER 22 -3.233 4.181 -15.565 144 H GLU 23 HN GLU 23 -0.252 2.289 -14.823 145 HA GLU 23 HA GLU 23 0.076 -0.066 -13.263 146 HB2 GLU 23 HB2 GLU 23 1.090 2.802 -12.824 147 HB3 GLU 23 HB1 GLU 23 1.544 1.401 -11.786 148 HG2 GLU 23 HG2 GLU 23 2.625 0.256 -13.720 149 HG3 GLU 23 HG1 GLU 23 2.116 1.604 -14.814 150 H LYS 24 HN LYS 24 -2.333 2.261 -13.395 151 HA LYS 24 HA LYS 24 -2.676 2.569 -10.609 152 HB2 LYS 24 HB2 LYS 24 -3.531 4.276 -12.281 153 HB3 LYS 24 HB1 LYS 24 -4.673 3.020 -12.886 154 HG2 LYS 24 HG2 LYS 24 -5.730 2.888 -10.654 155 HG3 LYS 24 HG1 LYS 24 -4.582 4.109 -10.024 156 HD2 LYS 24 HD2 LYS 24 -5.459 5.782 -11.659 157 HD3 LYS 24 HD1 LYS 24 -6.604 4.555 -12.302 158 HE2 LYS 24 HE2 LYS 24 -7.730 4.420 -10.062 159 HE3 LYS 24 HE1 LYS 24 -6.567 5.646 -9.403 160 HZ1 LYS 24 HZ1 LYS 24 -7.415 7.261 -10.847 161 HZ2 LYS 24 HZ2 LYS 24 -8.767 6.485 -10.173 162 HZ3 LYS 24 HZ3 LYS 24 -8.297 6.139 -11.767 163 H TYR 25 HN TYR 25 -3.437 0.168 -13.071 164 HA TYR 25 HA TYR 25 -5.171 -1.087 -11.067 165 HB2 TYR 25 HB2 TYR 25 -5.396 -1.163 -14.110 166 HB3 TYR 25 HB1 TYR 25 -6.325 -2.243 -12.994 167 HD1 TYR 25 HD1 TYR 25 -5.830 1.220 -14.147 168 HD2 TYR 25 HD2 TYR 25 -8.126 -1.409 -11.739 169 HE1 TYR 25 HE1 TYR 25 -7.551 2.939 -13.891 170 HE2 TYR 25 HE2 TYR 25 -9.836 0.310 -11.490 171 HH TYR 25 HH TYR 25 -9.609 3.199 -11.717 172 H LYS 26 HN LYS 26 -2.158 -1.167 -12.609 173 HA LYS 26 HA LYS 26 -2.119 -4.019 -13.030 174 HB2 LYS 26 HB2 LYS 26 0.055 -1.867 -12.975 175 HB3 LYS 26 HB1 LYS 26 0.488 -3.608 -12.992 176 HG2 LYS 26 HG2 LYS 26 -0.801 -3.909 -15.116 177 HG3 LYS 26 HG1 LYS 26 -1.213 -2.162 -15.108 178 HD2 LYS 26 HD2 LYS 26 1.181 -1.557 -15.284 179 HD3 LYS 26 HD1 LYS 26 1.656 -3.285 -15.171 180 HE2 LYS 26 HE2 LYS 26 0.471 -3.759 -17.330 181 HE3 LYS 26 HE1 LYS 26 -0.024 -2.022 -17.438 182 HZ1 LYS 26 HZ1 LYS 26 1.937 -1.504 -18.229 183 HZ2 LYS 26 HZ2 LYS 26 2.291 -3.161 -18.356 184 HZ3 LYS 26 HZ3 LYS 26 2.770 -2.293 -16.977 185 H THR 27 HN THR 27 -2.288 -2.035 -10.302 186 HA THR 27 HA THR 27 -0.955 -4.128 -8.750 187 HB THR 27 HB THR 27 0.382 -1.986 -8.699 188 HG1 THR 27 HG1 THR 27 -0.971 -2.882 -6.386 189 HG21 THR 27 HG21 THR 27 -1.933 -0.686 -8.921 190 HG22 THR 27 HG22 THR 27 -0.561 0.042 -8.003 191 HG23 THR 27 HG23 THR 27 -1.906 -0.771 -7.120 192 H ASN 28 HN ASN 28 -3.856 -3.131 -9.727 193 HA ASN 28 HA ASN 28 -4.963 -3.461 -7.031 194 HB2 ASN 28 HB2 ASN 28 -5.824 -1.529 -9.238 195 HB3 ASN 28 HB1 ASN 28 -6.997 -2.116 -8.009 196 HD21 ASN 28 HD21 ASN 28 -3.756 -0.517 -8.358 197 HD22 ASN 28 HD22 ASN 28 -3.892 0.451 -6.923 198 H CYS 29 HN CYS 29 -5.078 -4.012 -10.566 199 HA CYS 29 HA CYS 29 -6.959 -6.195 -9.975 200 HB2 CYS 29 HB2 CYS 29 -6.918 -4.385 -12.465 201 HB3 CYS 29 HB1 CYS 29 -7.864 -5.905 -12.333 202 H ALA 30 HN ALA 30 -4.156 -6.401 -9.832 203 HA ALA 30 HA ALA 30 -2.985 -6.992 -12.302 204 HB1 ALA 30 HB1 ALA 30 -1.818 -8.770 -10.384 205 HB2 ALA 30 HB2 ALA 30 -2.248 -7.269 -9.479 206 HB3 ALA 30 HB3 ALA 30 -1.164 -7.176 -10.916 207 H LYS 31 HN LYS 31 -4.976 -8.920 -10.014 208 HA LYS 31 HA LYS 31 -4.437 -11.407 -11.176 209 HB2 LYS 31 HB2 LYS 31 -5.708 -11.056 -8.985 210 HB3 LYS 31 HB1 LYS 31 -7.102 -10.489 -9.969 211 HG2 LYS 31 HG2 LYS 31 -7.184 -12.698 -11.131 212 HG3 LYS 31 HG1 LYS 31 -5.800 -13.267 -10.134 213 HD2 LYS 31 HD2 LYS 31 -7.157 -12.924 -8.062 214 HD3 LYS 31 HD1 LYS 31 -8.540 -12.353 -9.060 215 HE2 LYS 31 HE2 LYS 31 -8.662 -14.598 -10.183 216 HE3 LYS 31 HE1 LYS 31 -7.261 -15.173 -9.187 217 HZ1 LYS 31 HZ1 LYS 31 -9.984 -15.089 -8.535 218 HZ2 LYS 31 HZ2 LYS 31 -9.162 -14.046 -7.478 219 HZ3 LYS 31 HZ3 LYS 31 -8.677 -15.667 -7.617 220 H THR 32 HN THR 32 -6.892 -8.848 -11.935 221 HA THR 32 HA THR 32 -8.083 -10.438 -13.999 222 HB THR 32 HB THR 32 -8.195 -7.411 -13.548 223 HG1 THR 32 HG1 THR 32 -9.902 -9.561 -12.828 224 HG21 THR 32 HG21 THR 32 -8.731 -8.137 -15.914 225 HG22 THR 32 HG22 THR 32 -10.185 -7.485 -15.058 226 HG23 THR 32 HG23 THR 32 -9.975 -9.272 -15.267 227 H CYS 33 HN CYS 33 -5.494 -7.971 -13.733 228 HA CYS 33 HA CYS 33 -5.252 -7.472 -16.469 229 HB2 CYS 33 HB2 CYS 33 -3.098 -7.543 -14.284 230 HB3 CYS 33 HB1 CYS 33 -2.811 -6.944 -15.949 231 H GLY 34 HN GLY 34 -3.888 -10.064 -14.327 232 HA2 GLY 34 HA2 GLY 34 -3.728 -12.230 -15.351 233 HA3 GLY 34 HA1 GLY 34 -3.108 -11.397 -16.845 234 H GLU 35 HN GLU 35 -2.067 -9.871 -13.954 235 HA GLU 35 HA GLU 35 0.614 -10.549 -14.512 236 HB2 GLU 35 HB2 GLU 35 -0.670 -9.365 -11.978 237 HB3 GLU 35 HB1 GLU 35 1.105 -9.553 -12.203 238 HG2 GLU 35 HG2 GLU 35 -0.755 -7.838 -13.991 239 HG3 GLU 35 HG1 GLU 35 0.379 -7.218 -12.725 240 H CYS 36 HN CYS 36 -1.924 -11.776 -12.287 241 HA CYS 36 HA CYS 36 -0.146 -13.455 -10.859 242 HB2 CYS 36 HB2 CYS 36 -2.634 -12.771 -10.237 243 HB3 CYS 36 HB1 CYS 36 -3.092 -14.106 -11.347 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 1.276 -12.013 -6.531 2 H2 ALA 1 HT2 ALA 1 2.133 -11.686 -7.961 3 H3 ALA 1 HT3 ALA 1 0.785 -12.721 -7.996 4 HA ALA 1 HA ALA 1 0.395 -10.022 -7.000 5 HB1 ALA 1 HB1 ALA 1 1.773 -9.713 -9.100 6 HB2 ALA 1 HB2 ALA 1 0.085 -9.106 -9.303 7 HB3 ALA 1 HB3 ALA 1 0.559 -10.705 -9.992 8 H CYS 2 HN CYS 2 -0.844 -12.732 -6.645 9 HA CYS 2 HA CYS 2 -3.268 -12.446 -8.230 10 HB2 CYS 2 HB2 CYS 2 -2.127 -14.608 -6.409 11 HB3 CYS 2 HB1 CYS 2 -3.908 -14.520 -6.631 12 H LYS 3 HN LYS 3 -4.048 -10.438 -7.317 13 HA LYS 3 HA LYS 3 -5.459 -10.921 -4.870 14 HB2 LYS 3 HB2 LYS 3 -4.621 -8.917 -3.667 15 HB3 LYS 3 HB1 LYS 3 -3.274 -10.075 -3.948 16 HG2 LYS 3 HG2 LYS 3 -2.580 -8.756 -5.976 17 HG3 LYS 3 HG1 LYS 3 -3.894 -7.577 -5.640 18 HD2 LYS 3 HD2 LYS 3 -2.864 -7.062 -3.422 19 HD3 LYS 3 HD1 LYS 3 -1.554 -8.247 -3.751 20 HE2 LYS 3 HE2 LYS 3 -0.816 -6.888 -5.731 21 HE3 LYS 3 HE1 LYS 3 -2.140 -5.694 -5.402 22 HZ1 LYS 3 HZ1 LYS 3 -0.471 -4.745 -4.283 23 HZ2 LYS 3 HZ2 LYS 3 0.355 -6.195 -3.968 24 HZ3 LYS 3 HZ3 LYS 3 -1.000 -5.769 -3.038 25 H ASP 4 HN ASP 4 -7.055 -9.097 -4.477 26 HA ASP 4 HA ASP 4 -7.335 -7.471 -6.893 27 HB2 ASP 4 HB2 ASP 4 -9.644 -8.885 -5.430 28 HB3 ASP 4 HB1 ASP 4 -9.812 -7.766 -6.832 29 H ASN 5 HN ASN 5 -7.159 -5.360 -6.225 30 HA ASN 5 HA ASN 5 -8.006 -4.837 -3.468 31 HB2 ASN 5 HB2 ASN 5 -6.425 -3.144 -5.490 32 HB3 ASN 5 HB1 ASN 5 -6.966 -2.530 -3.885 33 HD21 ASN 5 HD21 ASN 5 -4.218 -2.701 -4.799 34 HD22 ASN 5 HD22 ASN 5 -3.385 -3.806 -3.755 35 H LEU 6 HN LEU 6 -9.217 -4.945 -6.580 36 HA LEU 6 HA LEU 6 -11.204 -2.928 -5.874 37 HB2 LEU 6 HB2 LEU 6 -9.981 -3.474 -8.648 38 HB3 LEU 6 HB1 LEU 6 -11.468 -2.504 -8.385 39 HG LEU 6 HG LEU 6 -8.773 -1.837 -7.126 40 HD11 LEU 6 HD11 LEU 6 -9.994 -0.920 -9.770 41 HD12 LEU 6 HD12 LEU 6 -8.361 -1.627 -9.462 42 HD13 LEU 6 HD13 LEU 6 -8.748 0.044 -8.893 43 HD21 LEU 6 HD21 LEU 6 -10.469 -0.774 -5.832 44 HD22 LEU 6 HD22 LEU 6 -11.461 -0.378 -7.287 45 HD23 LEU 6 HD23 LEU 6 -9.916 0.503 -6.981 46 HA PRO 7 HA PRO 7 -14.036 -6.141 -6.582 47 HB2 PRO 7 HB2 PRO 7 -16.077 -4.847 -7.942 48 HB3 PRO 7 HB1 PRO 7 -15.797 -4.702 -6.154 49 HG2 PRO 7 HG2 PRO 7 -14.988 -2.833 -8.406 50 HG3 PRO 7 HG1 PRO 7 -15.625 -2.444 -6.764 51 HD2 PRO 7 HD2 PRO 7 -12.956 -2.256 -7.384 52 HD3 PRO 7 HD1 PRO 7 -13.534 -2.726 -5.733 53 H ALA 8 HN ALA 8 -15.035 -7.524 -8.174 54 HA ALA 8 HA ALA 8 -13.394 -7.771 -10.426 55 HB1 ALA 8 HB1 ALA 8 -14.745 -9.678 -9.283 56 HB2 ALA 8 HB2 ALA 8 -14.776 -9.650 -11.088 57 HB3 ALA 8 HB3 ALA 8 -16.179 -9.009 -10.150 58 H ALA 9 HN ALA 9 -16.604 -6.293 -9.830 59 HA ALA 9 HA ALA 9 -17.293 -6.021 -12.529 60 HB1 ALA 9 HB1 ALA 9 -18.693 -4.005 -11.749 61 HB2 ALA 9 HB2 ALA 9 -18.000 -4.275 -10.104 62 HB3 ALA 9 HB3 ALA 9 -19.031 -5.542 -10.868 63 H THR 10 HN THR 10 -15.305 -3.954 -10.312 64 HA THR 10 HA THR 10 -15.054 -1.910 -12.299 65 HB THR 10 HB THR 10 -13.431 -2.498 -9.783 66 HG1 THR 10 HG1 THR 10 -14.823 -0.163 -10.080 67 HG21 THR 10 HG21 THR 10 -11.888 -1.379 -11.225 68 HG22 THR 10 HG22 THR 10 -12.633 -0.041 -10.270 69 HG23 THR 10 HG23 THR 10 -13.177 -0.353 -11.962 70 H CYS 11 HN CYS 11 -12.989 -4.636 -11.099 71 HA CYS 11 HA CYS 11 -10.827 -4.011 -12.775 72 HB2 CYS 11 HB2 CYS 11 -11.780 -6.713 -11.685 73 HB3 CYS 11 HB1 CYS 11 -10.254 -6.492 -12.597 74 H SER 12 HN SER 12 -13.889 -5.738 -13.334 75 HA SER 12 HA SER 12 -13.118 -6.939 -15.758 76 HB2 SER 12 HB2 SER 12 -15.890 -6.009 -14.819 77 HB3 SER 12 HB1 SER 12 -15.596 -6.990 -16.310 78 HG SER 12 HG SER 12 -15.019 -7.675 -13.613 79 H ASN 13 HN ASN 13 -14.578 -3.777 -14.905 80 HA ASN 13 HA ASN 13 -14.815 -3.008 -17.632 81 HB2 ASN 13 HB2 ASN 13 -14.780 -1.411 -15.018 82 HB3 ASN 13 HB1 ASN 13 -14.927 -0.620 -16.627 83 HD21 ASN 13 HD21 ASN 13 -16.903 -0.431 -14.559 84 HD22 ASN 13 HD22 ASN 13 -18.345 -1.210 -15.109 85 H VAL 14 HN VAL 14 -12.342 -2.814 -15.086 86 HA VAL 14 HA VAL 14 -10.669 -0.977 -16.398 87 HB VAL 14 HB VAL 14 -10.112 -3.244 -14.452 88 HG11 VAL 14 HG11 VAL 14 -8.208 -1.017 -15.460 89 HG12 VAL 14 HG12 VAL 14 -8.126 -2.746 -15.964 90 HG13 VAL 14 HG13 VAL 14 -7.828 -2.294 -14.250 91 HG21 VAL 14 HG21 VAL 14 -11.518 -1.043 -13.945 92 HG22 VAL 14 HG22 VAL 14 -9.903 -0.248 -13.938 93 HG23 VAL 14 HG23 VAL 14 -10.251 -1.591 -12.787 94 H LYS 15 HN LYS 15 -10.953 -4.555 -16.402 95 HA LYS 15 HA LYS 15 -8.774 -4.860 -18.172 96 HB2 LYS 15 HB2 LYS 15 -9.262 -6.857 -17.009 97 HB3 LYS 15 HB1 LYS 15 -11.044 -6.607 -17.165 98 HG2 LYS 15 HG2 LYS 15 -9.590 -6.941 -19.765 99 HG3 LYS 15 HG1 LYS 15 -9.519 -8.370 -18.681 100 HD2 LYS 15 HD2 LYS 15 -12.060 -8.206 -18.440 101 HD3 LYS 15 HD1 LYS 15 -12.039 -6.923 -19.700 102 HE2 LYS 15 HE2 LYS 15 -11.033 -8.535 -21.336 103 HE3 LYS 15 HE1 LYS 15 -11.028 -9.827 -20.064 104 HZ1 LYS 15 HZ1 LYS 15 -12.976 -10.250 -21.051 105 HZ2 LYS 15 HZ2 LYS 15 -13.246 -8.653 -21.560 106 HZ3 LYS 15 HZ3 LYS 15 -13.544 -9.092 -19.947 107 H ALA 16 HN ALA 16 -12.325 -4.436 -18.464 108 HA ALA 16 HA ALA 16 -12.315 -5.009 -21.272 109 HB1 ALA 16 HB1 ALA 16 -14.435 -5.099 -19.832 110 HB2 ALA 16 HB2 ALA 16 -14.610 -4.094 -21.319 111 HB3 ALA 16 HB3 ALA 16 -14.349 -3.301 -19.720 112 H ASN 17 HN ASN 17 -11.019 -2.493 -19.415 113 HA ASN 17 HA ASN 17 -11.381 -0.631 -21.665 114 HB2 ASN 17 HB2 ASN 17 -11.051 -0.232 -18.678 115 HB3 ASN 17 HB1 ASN 17 -10.201 0.940 -19.758 116 HD21 ASN 17 HD21 ASN 17 -13.373 -0.341 -18.725 117 HD22 ASN 17 HD22 ASN 17 -14.328 0.953 -19.380 118 H ASN 18 HN ASN 18 -9.334 -2.957 -20.310 119 HA ASN 18 HA ASN 18 -7.167 -3.416 -20.624 120 HB2 ASN 18 HB2 ASN 18 -7.166 -1.178 -22.741 121 HB3 ASN 18 HB1 ASN 18 -5.910 -2.453 -22.551 122 HD21 ASN 18 HD21 ASN 18 -7.056 -4.817 -22.430 123 HD22 ASN 18 HD22 ASN 18 -8.139 -5.127 -23.747 124 H ASN 19 HN ASN 19 -8.146 -1.318 -18.698 125 HA ASN 19 HA ASN 19 -5.865 0.500 -18.723 126 HB2 ASN 19 HB2 ASN 19 -8.390 0.360 -16.983 127 HB3 ASN 19 HB1 ASN 19 -7.014 1.463 -16.613 128 HD21 ASN 19 HD21 ASN 19 -9.684 2.348 -17.138 129 HD22 ASN 19 HD22 ASN 19 -9.677 3.267 -18.606 130 H CYS 20 HN CYS 20 -6.460 -2.636 -17.881 131 HA CYS 20 HA CYS 20 -5.507 -2.613 -15.211 132 HB2 CYS 20 HB2 CYS 20 -5.309 -5.017 -15.357 133 HB3 CYS 20 HB1 CYS 20 -6.768 -4.579 -16.299 134 H SER 21 HN SER 21 -4.062 -2.104 -18.325 135 HA SER 21 HA SER 21 -1.480 -3.083 -17.515 136 HB2 SER 21 HB2 SER 21 -2.302 -1.271 -19.874 137 HB3 SER 21 HB1 SER 21 -0.638 -1.935 -19.615 138 HG SER 21 HG SER 21 -2.403 -3.915 -19.423 139 H SER 22 HN SER 22 -3.465 -0.311 -16.922 140 HA SER 22 HA SER 22 -1.306 1.548 -16.721 141 HB2 SER 22 HB2 SER 22 -3.688 2.362 -17.040 142 HB3 SER 22 HB1 SER 22 -4.107 1.649 -15.430 143 HG SER 22 HG SER 22 -3.218 4.023 -15.902 144 H GLU 23 HN GLU 23 -0.325 2.317 -14.715 145 HA GLU 23 HA GLU 23 0.031 0.190 -12.865 146 HB2 GLU 23 HB2 GLU 23 0.787 3.168 -12.689 147 HB3 GLU 23 HB1 GLU 23 1.248 1.943 -11.452 148 HG2 GLU 23 HG2 GLU 23 2.585 0.675 -13.129 149 HG3 GLU 23 HG1 GLU 23 2.065 1.820 -14.430 150 H LYS 24 HN LYS 24 -2.526 2.329 -13.398 151 HA LYS 24 HA LYS 24 -3.102 2.846 -10.679 152 HB2 LYS 24 HB2 LYS 24 -3.923 4.356 -12.540 153 HB3 LYS 24 HB1 LYS 24 -4.934 2.986 -13.126 154 HG2 LYS 24 HG2 LYS 24 -6.164 2.952 -10.984 155 HG3 LYS 24 HG1 LYS 24 -5.140 4.282 -10.357 156 HD2 LYS 24 HD2 LYS 24 -5.979 5.804 -12.131 157 HD3 LYS 24 HD1 LYS 24 -6.950 4.471 -12.842 158 HE2 LYS 24 HE2 LYS 24 -8.408 5.937 -11.465 159 HE3 LYS 24 HE1 LYS 24 -8.263 4.317 -10.662 160 HZ1 LYS 24 HZ1 LYS 24 -7.848 6.672 -9.474 161 HZ2 LYS 24 HZ2 LYS 24 -6.256 6.268 -9.906 162 HZ3 LYS 24 HZ3 LYS 24 -7.177 5.200 -8.960 163 H TYR 25 HN TYR 25 -3.590 0.236 -13.008 164 HA TYR 25 HA TYR 25 -5.255 -1.037 -10.958 165 HB2 TYR 25 HB2 TYR 25 -5.593 -1.207 -13.985 166 HB3 TYR 25 HB1 TYR 25 -6.470 -2.241 -12.791 167 HD1 TYR 25 HD1 TYR 25 -6.124 1.104 -14.236 168 HD2 TYR 25 HD2 TYR 25 -8.178 -1.313 -11.431 169 HE1 TYR 25 HE1 TYR 25 -7.867 2.803 -14.035 170 HE2 TYR 25 HE2 TYR 25 -9.912 0.385 -11.234 171 HH TYR 25 HH TYR 25 -9.698 3.340 -11.877 172 H LYS 26 HN LYS 26 -2.304 -0.980 -12.495 173 HA LYS 26 HA LYS 26 -2.125 -3.760 -13.111 174 HB2 LYS 26 HB2 LYS 26 -0.586 -1.752 -13.957 175 HB3 LYS 26 HB1 LYS 26 0.281 -2.035 -12.408 176 HG2 LYS 26 HG2 LYS 26 0.750 -4.357 -13.021 177 HG3 LYS 26 HG1 LYS 26 -0.263 -4.215 -14.500 178 HD2 LYS 26 HD2 LYS 26 1.299 -2.418 -15.343 179 HD3 LYS 26 HD1 LYS 26 2.336 -2.681 -13.900 180 HE2 LYS 26 HE2 LYS 26 2.726 -5.059 -14.599 181 HE3 LYS 26 HE1 LYS 26 1.662 -4.809 -16.046 182 HZ1 LYS 26 HZ1 LYS 26 3.277 -2.846 -16.461 183 HZ2 LYS 26 HZ2 LYS 26 3.726 -4.432 -16.870 184 HZ3 LYS 26 HZ3 LYS 26 4.330 -3.716 -15.453 185 H THR 27 HN THR 27 -2.189 -1.850 -10.225 186 HA THR 27 HA THR 27 -0.980 -4.110 -8.806 187 HB THR 27 HB THR 27 0.327 -1.929 -8.616 188 HG1 THR 27 HG1 THR 27 -0.932 -3.084 -6.361 189 HG21 THR 27 HG21 THR 27 -2.020 -1.006 -6.902 190 HG22 THR 27 HG22 THR 27 -1.956 -0.633 -8.666 191 HG23 THR 27 HG23 THR 27 -0.652 -0.042 -7.569 192 H ASN 28 HN ASN 28 -3.867 -3.120 -9.756 193 HA ASN 28 HA ASN 28 -4.997 -3.576 -7.091 194 HB2 ASN 28 HB2 ASN 28 -5.975 -1.605 -9.229 195 HB3 ASN 28 HB1 ASN 28 -6.987 -2.145 -7.843 196 HD21 ASN 28 HD21 ASN 28 -3.928 -0.444 -8.741 197 HD22 ASN 28 HD22 ASN 28 -3.814 0.495 -7.287 198 H CYS 29 HN CYS 29 -5.074 -3.974 -10.652 199 HA CYS 29 HA CYS 29 -6.970 -6.175 -10.166 200 HB2 CYS 29 HB2 CYS 29 -6.978 -4.248 -12.569 201 HB3 CYS 29 HB1 CYS 29 -7.949 -5.754 -12.462 202 H ALA 30 HN ALA 30 -4.190 -6.466 -10.077 203 HA ALA 30 HA ALA 30 -3.130 -6.945 -12.657 204 HB1 ALA 30 HB1 ALA 30 -1.318 -6.840 -11.189 205 HB2 ALA 30 HB2 ALA 30 -1.613 -8.616 -11.094 206 HB3 ALA 30 HB3 ALA 30 -2.281 -7.520 -9.826 207 H LYS 31 HN LYS 31 -4.888 -8.912 -10.211 208 HA LYS 31 HA LYS 31 -4.398 -11.388 -11.420 209 HB2 LYS 31 HB2 LYS 31 -5.452 -11.118 -9.127 210 HB3 LYS 31 HB1 LYS 31 -6.932 -10.496 -9.937 211 HG2 LYS 31 HG2 LYS 31 -7.181 -12.667 -11.152 212 HG3 LYS 31 HG1 LYS 31 -5.713 -13.291 -10.325 213 HD2 LYS 31 HD2 LYS 31 -6.833 -12.997 -8.112 214 HD3 LYS 31 HD1 LYS 31 -8.299 -12.360 -8.934 215 HE2 LYS 31 HE2 LYS 31 -8.599 -14.559 -10.112 216 HE3 LYS 31 HE1 LYS 31 -7.117 -15.201 -9.289 217 HZ1 LYS 31 HZ1 LYS 31 -9.002 -14.024 -7.474 218 HZ2 LYS 31 HZ2 LYS 31 -8.254 -15.548 -7.454 219 HZ3 LYS 31 HZ3 LYS 31 -9.666 -15.307 -8.365 220 H THR 32 HN THR 32 -6.963 -8.886 -11.929 221 HA THR 32 HA THR 32 -8.347 -10.476 -13.837 222 HB THR 32 HB THR 32 -8.321 -7.434 -13.508 223 HG1 THR 32 HG1 THR 32 -9.802 -9.550 -12.378 224 HG21 THR 32 HG21 THR 32 -9.135 -8.420 -15.767 225 HG22 THR 32 HG22 THR 32 -10.346 -7.424 -14.868 226 HG23 THR 32 HG23 THR 32 -10.451 -9.230 -14.836 227 H CYS 33 HN CYS 33 -5.722 -8.001 -13.945 228 HA CYS 33 HA CYS 33 -5.731 -7.682 -16.720 229 HB2 CYS 33 HB2 CYS 33 -4.271 -6.467 -14.824 230 HB3 CYS 33 HB1 CYS 33 -3.116 -7.793 -15.179 231 H GLY 34 HN GLY 34 -4.141 -10.119 -14.548 232 HA2 GLY 34 HA2 GLY 34 -4.009 -12.346 -15.357 233 HA3 GLY 34 HA1 GLY 34 -3.683 -11.669 -17.015 234 H GLU 35 HN GLU 35 -2.244 -9.820 -14.500 235 HA GLU 35 HA GLU 35 0.336 -10.460 -15.440 236 HB2 GLU 35 HB2 GLU 35 -0.575 -9.071 -12.849 237 HB3 GLU 35 HB1 GLU 35 1.150 -9.234 -13.334 238 HG2 GLU 35 HG2 GLU 35 -1.034 -7.756 -14.957 239 HG3 GLU 35 HG1 GLU 35 0.255 -6.983 -13.950 240 H CYS 36 HN CYS 36 -1.714 -11.539 -12.690 241 HA CYS 36 HA CYS 36 0.386 -13.034 -11.494 242 HB2 CYS 36 HB2 CYS 36 -1.908 -12.312 -10.402 243 HB3 CYS 36 HB1 CYS 36 -2.588 -13.721 -11.285 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 1.104 -12.356 -6.172 2 H2 ALA 1 HT2 ALA 1 2.011 -12.003 -7.564 3 H3 ALA 1 HT3 ALA 1 0.650 -13.014 -7.672 4 HA ALA 1 HA ALA 1 0.238 -10.359 -6.594 5 HB1 ALA 1 HB1 ALA 1 0.570 -10.880 -9.602 6 HB2 ALA 1 HB2 ALA 1 1.754 -9.970 -8.589 7 HB3 ALA 1 HB3 ALA 1 0.095 -9.313 -8.849 8 H CYS 2 HN CYS 2 -1.060 -13.036 -6.413 9 HA CYS 2 HA CYS 2 -3.350 -12.696 -8.169 10 HB2 CYS 2 HB2 CYS 2 -2.399 -14.882 -6.267 11 HB3 CYS 2 HB1 CYS 2 -4.150 -14.771 -6.657 12 H LYS 3 HN LYS 3 -4.061 -10.631 -7.252 13 HA LYS 3 HA LYS 3 -5.798 -11.093 -5.042 14 HB2 LYS 3 HB2 LYS 3 -4.937 -9.273 -3.582 15 HB3 LYS 3 HB1 LYS 3 -3.701 -10.568 -3.760 16 HG2 LYS 3 HG2 LYS 3 -2.572 -9.225 -5.564 17 HG3 LYS 3 HG1 LYS 3 -3.780 -7.914 -5.322 18 HD2 LYS 3 HD2 LYS 3 -3.034 -7.670 -2.948 19 HD3 LYS 3 HD1 LYS 3 -1.834 -8.986 -3.185 20 HE2 LYS 3 HE2 LYS 3 -0.662 -7.608 -4.929 21 HE3 LYS 3 HE1 LYS 3 -1.875 -6.281 -4.693 22 HZ1 LYS 3 HZ1 LYS 3 -0.049 -5.749 -3.392 23 HZ2 LYS 3 HZ2 LYS 3 0.136 -7.322 -2.779 24 HZ3 LYS 3 HZ3 LYS 3 -1.181 -6.368 -2.288 25 H ASP 4 HN ASP 4 -7.208 -9.091 -4.696 26 HA ASP 4 HA ASP 4 -6.956 -7.254 -6.947 27 HB2 ASP 4 HB2 ASP 4 -9.387 -8.971 -6.252 28 HB3 ASP 4 HB1 ASP 4 -9.616 -7.339 -6.972 29 H ASN 5 HN ASN 5 -7.041 -5.163 -6.183 30 HA ASN 5 HA ASN 5 -8.070 -4.886 -3.458 31 HB2 ASN 5 HB2 ASN 5 -6.481 -2.968 -5.262 32 HB3 ASN 5 HB1 ASN 5 -7.119 -2.514 -3.640 33 HD21 ASN 5 HD21 ASN 5 -4.330 -2.482 -4.435 34 HD22 ASN 5 HD22 ASN 5 -3.488 -3.630 -3.446 35 H LEU 6 HN LEU 6 -9.128 -4.816 -6.627 36 HA LEU 6 HA LEU 6 -11.173 -2.849 -5.924 37 HB2 LEU 6 HB2 LEU 6 -9.990 -3.469 -8.704 38 HB3 LEU 6 HB1 LEU 6 -11.426 -2.431 -8.420 39 HG LEU 6 HG LEU 6 -8.675 -1.867 -7.232 40 HD11 LEU 6 HD11 LEU 6 -8.799 0.064 -9.067 41 HD12 LEU 6 HD12 LEU 6 -9.860 -1.119 -9.920 42 HD13 LEU 6 HD13 LEU 6 -8.168 -1.577 -9.483 43 HD21 LEU 6 HD21 LEU 6 -9.719 0.525 -7.101 44 HD22 LEU 6 HD22 LEU 6 -10.278 -0.711 -5.910 45 HD23 LEU 6 HD23 LEU 6 -11.304 -0.305 -7.339 46 HA PRO 7 HA PRO 7 -13.992 -6.086 -6.572 47 HB2 PRO 7 HB2 PRO 7 -16.040 -4.822 -7.950 48 HB3 PRO 7 HB1 PRO 7 -15.758 -4.647 -6.165 49 HG2 PRO 7 HG2 PRO 7 -14.962 -2.812 -8.448 50 HG3 PRO 7 HG1 PRO 7 -15.595 -2.400 -6.811 51 HD2 PRO 7 HD2 PRO 7 -12.928 -2.213 -7.444 52 HD3 PRO 7 HD1 PRO 7 -13.500 -2.653 -5.784 53 H ALA 8 HN ALA 8 -14.991 -7.495 -8.144 54 HA ALA 8 HA ALA 8 -13.349 -7.778 -10.393 55 HB1 ALA 8 HB1 ALA 8 -14.745 -9.659 -11.035 56 HB2 ALA 8 HB2 ALA 8 -16.138 -9.005 -10.090 57 HB3 ALA 8 HB3 ALA 8 -14.697 -9.670 -9.231 58 H ALA 9 HN ALA 9 -16.552 -6.280 -9.820 59 HA ALA 9 HA ALA 9 -17.237 -6.044 -12.521 60 HB1 ALA 9 HB1 ALA 9 -17.952 -4.306 -10.097 61 HB2 ALA 9 HB2 ALA 9 -18.995 -5.533 -10.912 62 HB3 ALA 9 HB3 ALA 9 -18.606 -3.981 -11.748 63 H THR 10 HN THR 10 -15.246 -3.953 -10.329 64 HA THR 10 HA THR 10 -14.986 -1.936 -12.338 65 HB THR 10 HB THR 10 -13.353 -2.507 -9.825 66 HG1 THR 10 HG1 THR 10 -14.741 -0.170 -10.138 67 HG21 THR 10 HG21 THR 10 -11.824 -1.410 -11.311 68 HG22 THR 10 HG22 THR 10 -12.534 -0.071 -10.329 69 HG23 THR 10 HG23 THR 10 -13.118 -0.364 -12.011 70 H CYS 11 HN CYS 11 -12.932 -4.662 -11.120 71 HA CYS 11 HA CYS 11 -10.767 -4.074 -12.801 72 HB2 CYS 11 HB2 CYS 11 -11.761 -6.773 -11.727 73 HB3 CYS 11 HB1 CYS 11 -10.220 -6.558 -12.617 74 H SER 12 HN SER 12 -13.833 -5.807 -13.347 75 HA SER 12 HA SER 12 -13.083 -6.976 -15.787 76 HB2 SER 12 HB2 SER 12 -15.852 -6.076 -14.813 77 HB3 SER 12 HB1 SER 12 -15.565 -7.052 -16.307 78 HG SER 12 HG SER 12 -14.951 -7.734 -13.618 79 H ASN 13 HN ASN 13 -14.512 -3.823 -14.869 80 HA ASN 13 HA ASN 13 -14.819 -3.021 -17.577 81 HB2 ASN 13 HB2 ASN 13 -14.843 -1.571 -14.899 82 HB3 ASN 13 HB1 ASN 13 -14.736 -0.619 -16.423 83 HD21 ASN 13 HD21 ASN 13 -16.797 -2.519 -14.301 84 HD22 ASN 13 HD22 ASN 13 -18.271 -2.318 -15.189 85 H VAL 14 HN VAL 14 -12.270 -2.888 -15.103 86 HA VAL 14 HA VAL 14 -10.610 -1.045 -16.425 87 HB VAL 14 HB VAL 14 -10.014 -3.384 -14.565 88 HG11 VAL 14 HG11 VAL 14 -7.705 -2.751 -14.541 89 HG12 VAL 14 HG12 VAL 14 -8.032 -1.118 -15.227 90 HG13 VAL 14 HG13 VAL 14 -8.115 -2.571 -16.284 91 HG21 VAL 14 HG21 VAL 14 -11.387 -1.222 -13.922 92 HG22 VAL 14 HG22 VAL 14 -9.793 -0.397 -13.985 93 HG23 VAL 14 HG23 VAL 14 -10.052 -1.768 -12.847 94 H LYS 15 HN LYS 15 -10.938 -4.608 -16.518 95 HA LYS 15 HA LYS 15 -8.839 -4.870 -18.390 96 HB2 LYS 15 HB2 LYS 15 -9.261 -6.892 -17.261 97 HB3 LYS 15 HB1 LYS 15 -11.047 -6.633 -17.292 98 HG2 LYS 15 HG2 LYS 15 -9.775 -6.918 -19.991 99 HG3 LYS 15 HG1 LYS 15 -9.633 -8.368 -18.941 100 HD2 LYS 15 HD2 LYS 15 -12.169 -8.139 -18.504 101 HD3 LYS 15 HD1 LYS 15 -12.195 -6.913 -19.822 102 HE2 LYS 15 HE2 LYS 15 -11.314 -8.613 -21.436 103 HE3 LYS 15 HE1 LYS 15 -11.245 -9.848 -20.110 104 HZ1 LYS 15 HZ1 LYS 15 -13.785 -8.475 -20.461 105 HZ2 LYS 15 HZ2 LYS 15 -13.441 -10.109 -20.156 106 HZ3 LYS 15 HZ3 LYS 15 -13.311 -9.495 -21.733 107 H ALA 16 HN ALA 16 -12.401 -4.436 -18.512 108 HA ALA 16 HA ALA 16 -12.474 -4.930 -21.353 109 HB1 ALA 16 HB1 ALA 16 -14.521 -5.219 -19.828 110 HB2 ALA 16 HB2 ALA 16 -14.819 -4.188 -21.278 111 HB3 ALA 16 HB3 ALA 16 -14.554 -3.424 -19.666 112 H ASN 17 HN ASN 17 -11.174 -2.451 -19.494 113 HA ASN 17 HA ASN 17 -11.800 -0.511 -21.629 114 HB2 ASN 17 HB2 ASN 17 -11.350 -0.180 -18.647 115 HB3 ASN 17 HB1 ASN 17 -10.655 1.086 -19.729 116 HD21 ASN 17 HD21 ASN 17 -13.642 -0.436 -18.521 117 HD22 ASN 17 HD22 ASN 17 -14.735 0.782 -19.102 118 H ASN 18 HN ASN 18 -9.562 -2.756 -20.533 119 HA ASN 18 HA ASN 18 -7.389 -3.040 -20.979 120 HB2 ASN 18 HB2 ASN 18 -7.645 -0.637 -22.889 121 HB3 ASN 18 HB1 ASN 18 -6.277 -1.806 -22.849 122 HD21 ASN 18 HD21 ASN 18 -8.817 -0.977 -24.700 123 HD22 ASN 18 HD22 ASN 18 -9.311 -2.520 -25.316 124 H ASN 19 HN ASN 19 -8.408 -1.200 -18.826 125 HA ASN 19 HA ASN 19 -6.402 0.884 -18.784 126 HB2 ASN 19 HB2 ASN 19 -8.514 -0.022 -16.749 127 HB3 ASN 19 HB1 ASN 19 -7.293 1.246 -16.377 128 HD21 ASN 19 HD21 ASN 19 -10.120 1.677 -16.322 129 HD22 ASN 19 HD22 ASN 19 -10.525 2.808 -17.568 130 H CYS 20 HN CYS 20 -6.385 -2.401 -18.466 131 HA CYS 20 HA CYS 20 -4.938 -2.697 -16.050 132 HB2 CYS 20 HB2 CYS 20 -5.581 -4.401 -18.435 133 HB3 CYS 20 HB1 CYS 20 -4.017 -4.779 -17.631 134 H SER 21 HN SER 21 -4.206 -1.042 -18.910 135 HA SER 21 HA SER 21 -1.405 -1.797 -18.870 136 HB2 SER 21 HB2 SER 21 -2.878 0.356 -20.520 137 HB3 SER 21 HB1 SER 21 -1.139 -0.104 -20.719 138 HG SER 21 HG SER 21 -3.452 -1.378 -21.509 139 H SER 22 HN SER 22 -3.395 -0.050 -16.893 140 HA SER 22 HA SER 22 -1.449 2.123 -16.602 141 HB2 SER 22 HB2 SER 22 -3.874 2.850 -16.729 142 HB3 SER 22 HB1 SER 22 -4.227 1.787 -15.309 143 HG SER 22 HG SER 22 -3.444 4.257 -15.283 144 H GLU 23 HN GLU 23 -0.381 2.431 -14.564 145 HA GLU 23 HA GLU 23 -0.036 -0.011 -13.140 146 HB2 GLU 23 HB2 GLU 23 0.920 2.845 -12.521 147 HB3 GLU 23 HB1 GLU 23 1.373 1.400 -11.547 148 HG2 GLU 23 HG2 GLU 23 2.523 0.376 -13.509 149 HG3 GLU 23 HG1 GLU 23 2.011 1.766 -14.549 150 H LYS 24 HN LYS 24 -2.502 2.243 -13.205 151 HA LYS 24 HA LYS 24 -2.905 2.418 -10.416 152 HB2 LYS 24 HB2 LYS 24 -3.776 4.177 -12.021 153 HB3 LYS 24 HB1 LYS 24 -4.865 2.920 -12.713 154 HG2 LYS 24 HG2 LYS 24 -5.971 2.649 -10.519 155 HG3 LYS 24 HG1 LYS 24 -4.874 3.868 -9.799 156 HD2 LYS 24 HD2 LYS 24 -5.759 5.598 -11.368 157 HD3 LYS 24 HD1 LYS 24 -6.850 4.374 -12.105 158 HE2 LYS 24 HE2 LYS 24 -8.029 4.091 -9.907 159 HE3 LYS 24 HE1 LYS 24 -6.918 5.309 -9.153 160 HZ1 LYS 24 HZ1 LYS 24 -7.840 6.992 -10.368 161 HZ2 LYS 24 HZ2 LYS 24 -9.196 6.020 -10.051 162 HZ3 LYS 24 HZ3 LYS 24 -8.459 5.978 -11.581 163 H TYR 25 HN TYR 25 -3.457 0.067 -12.943 164 HA TYR 25 HA TYR 25 -5.214 -1.313 -11.050 165 HB2 TYR 25 HB2 TYR 25 -5.392 -1.303 -14.101 166 HB3 TYR 25 HB1 TYR 25 -6.348 -2.387 -13.012 167 HD1 TYR 25 HD1 TYR 25 -5.896 1.018 -14.265 168 HD2 TYR 25 HD2 TYR 25 -8.084 -1.484 -11.638 169 HE1 TYR 25 HE1 TYR 25 -7.607 2.747 -14.029 170 HE2 TYR 25 HE2 TYR 25 -9.787 0.244 -11.409 171 HH TYR 25 HH TYR 25 -9.587 3.107 -11.780 172 H LYS 26 HN LYS 26 -2.189 -1.221 -12.583 173 HA LYS 26 HA LYS 26 -2.044 -4.043 -13.138 174 HB2 LYS 26 HB2 LYS 26 0.076 -1.839 -12.913 175 HB3 LYS 26 HB1 LYS 26 0.539 -3.567 -13.073 176 HG2 LYS 26 HG2 LYS 26 -0.722 -3.715 -15.222 177 HG3 LYS 26 HG1 LYS 26 -1.192 -1.991 -15.068 178 HD2 LYS 26 HD2 LYS 26 1.187 -1.300 -15.171 179 HD3 LYS 26 HD1 LYS 26 1.709 -3.017 -15.222 180 HE2 LYS 26 HE2 LYS 26 0.536 -3.313 -17.418 181 HE3 LYS 26 HE1 LYS 26 -0.003 -1.587 -17.361 182 HZ1 LYS 26 HZ1 LYS 26 1.953 -0.934 -18.067 183 HZ2 LYS 26 HZ2 LYS 26 2.325 -2.558 -18.399 184 HZ3 LYS 26 HZ3 LYS 26 2.803 -1.860 -16.927 185 H THR 27 HN THR 27 -2.211 -2.151 -10.302 186 HA THR 27 HA THR 27 -0.914 -4.340 -8.847 187 HB THR 27 HB THR 27 0.468 -2.208 -8.754 188 HG1 THR 27 HG1 THR 27 -0.800 -3.213 -6.434 189 HG21 THR 27 HG21 THR 27 -0.419 -0.230 -7.831 190 HG22 THR 27 HG22 THR 27 -1.776 -1.100 -7.026 191 HG23 THR 27 HG23 THR 27 -1.799 -0.850 -8.813 192 H ASN 28 HN ASN 28 -3.800 -3.233 -9.738 193 HA ASN 28 HA ASN 28 -4.865 -3.601 -7.030 194 HB2 ASN 28 HB2 ASN 28 -5.728 -1.612 -9.185 195 HB3 ASN 28 HB1 ASN 28 -6.889 -2.195 -7.942 196 HD21 ASN 28 HD21 ASN 28 -3.625 -0.655 -8.332 197 HD22 ASN 28 HD22 ASN 28 -3.710 0.288 -6.876 198 H CYS 29 HN CYS 29 -5.016 -4.143 -10.557 199 HA CYS 29 HA CYS 29 -6.990 -6.246 -9.964 200 HB2 CYS 29 HB2 CYS 29 -6.848 -4.454 -12.462 201 HB3 CYS 29 HB1 CYS 29 -7.846 -5.942 -12.345 202 H ALA 30 HN ALA 30 -4.219 -6.604 -9.777 203 HA ALA 30 HA ALA 30 -3.039 -7.260 -12.232 204 HB1 ALA 30 HB1 ALA 30 -1.402 -7.185 -10.534 205 HB2 ALA 30 HB2 ALA 30 -1.693 -8.964 -10.631 206 HB3 ALA 30 HB3 ALA 30 -2.489 -7.987 -9.339 207 H LYS 31 HN LYS 31 -5.142 -9.084 -9.950 208 HA LYS 31 HA LYS 31 -4.696 -11.601 -11.099 209 HB2 LYS 31 HB2 LYS 31 -5.945 -11.213 -8.910 210 HB3 LYS 31 HB1 LYS 31 -7.312 -10.562 -9.879 211 HG2 LYS 31 HG2 LYS 31 -7.522 -12.755 -11.058 212 HG3 LYS 31 HG1 LYS 31 -6.164 -13.406 -10.077 213 HD2 LYS 31 HD2 LYS 31 -7.484 -13.007 -7.991 214 HD3 LYS 31 HD1 LYS 31 -8.841 -12.354 -8.971 215 HE2 LYS 31 HE2 LYS 31 -9.096 -14.579 -10.111 216 HE3 LYS 31 HE1 LYS 31 -7.719 -15.237 -9.134 217 HZ1 LYS 31 HZ1 LYS 31 -8.946 -15.090 -7.208 218 HZ2 LYS 31 HZ2 LYS 31 -10.090 -15.617 -8.347 219 HZ3 LYS 31 HZ3 LYS 31 -10.076 -13.996 -7.845 220 H THR 32 HN THR 32 -7.084 -8.972 -11.858 221 HA THR 32 HA THR 32 -8.319 -10.538 -13.915 222 HB THR 32 HB THR 32 -8.352 -7.508 -13.478 223 HG1 THR 32 HG1 THR 32 -9.953 -9.671 -12.626 224 HG21 THR 32 HG21 THR 32 -10.211 -9.311 -15.172 225 HG22 THR 32 HG22 THR 32 -8.903 -8.270 -15.847 226 HG23 THR 32 HG23 THR 32 -10.314 -7.512 -15.004 227 H CYS 33 HN CYS 33 -5.712 -8.077 -13.696 228 HA CYS 33 HA CYS 33 -5.473 -7.668 -16.451 229 HB2 CYS 33 HB2 CYS 33 -3.340 -7.620 -14.245 230 HB3 CYS 33 HB1 CYS 33 -3.037 -7.093 -15.935 231 H GLY 34 HN GLY 34 -4.121 -10.181 -14.220 232 HA2 GLY 34 HA2 GLY 34 -3.794 -12.355 -15.030 233 HA3 GLY 34 HA1 GLY 34 -3.443 -11.659 -16.674 234 H GLU 35 HN GLU 35 -2.156 -9.803 -14.075 235 HA GLU 35 HA GLU 35 0.473 -10.310 -14.950 236 HB2 GLU 35 HB2 GLU 35 -0.566 -9.053 -12.340 237 HB3 GLU 35 HB1 GLU 35 1.175 -9.121 -12.788 238 HG2 GLU 35 HG2 GLU 35 -1.037 -7.684 -14.409 239 HG3 GLU 35 HG1 GLU 35 0.196 -6.892 -13.348 240 H CYS 36 HN CYS 36 -1.631 -11.584 -12.338 241 HA CYS 36 HA CYS 36 0.434 -12.986 -11.027 242 HB2 CYS 36 HB2 CYS 36 -2.024 -12.543 -10.179 243 HB3 CYS 36 HB1 CYS 36 -2.465 -13.949 -11.208 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -0.454 -16.426 -5.310 2 H2 ALA 1 HT2 ALA 1 0.912 -16.525 -4.306 3 H3 ALA 1 HT3 ALA 1 1.087 -16.088 -5.937 4 HA ALA 1 HA ALA 1 -0.252 -14.535 -3.821 5 HB1 ALA 1 HB1 ALA 1 1.561 -12.832 -4.329 6 HB2 ALA 1 HB2 ALA 1 2.288 -14.022 -5.475 7 HB3 ALA 1 HB3 ALA 1 2.230 -14.388 -3.708 8 H CYS 2 HN CYS 2 -2.253 -14.084 -4.875 9 HA CYS 2 HA CYS 2 -1.987 -12.172 -6.985 10 HB2 CYS 2 HB2 CYS 2 -2.042 -14.559 -8.130 11 HB3 CYS 2 HB1 CYS 2 -3.745 -14.602 -7.560 12 H LYS 3 HN LYS 3 -3.729 -10.709 -6.847 13 HA LYS 3 HA LYS 3 -6.222 -11.502 -5.844 14 HB2 LYS 3 HB2 LYS 3 -6.258 -10.232 -3.704 15 HB3 LYS 3 HB1 LYS 3 -5.056 -11.568 -3.622 16 HG2 LYS 3 HG2 LYS 3 -3.229 -9.931 -4.207 17 HG3 LYS 3 HG1 LYS 3 -4.442 -8.605 -4.193 18 HD2 LYS 3 HD2 LYS 3 -4.952 -9.103 -1.799 19 HD3 LYS 3 HD1 LYS 3 -3.746 -10.433 -1.816 20 HE2 LYS 3 HE2 LYS 3 -1.921 -8.777 -2.305 21 HE3 LYS 3 HE1 LYS 3 -3.139 -7.435 -2.294 22 HZ1 LYS 3 HZ1 LYS 3 -1.753 -8.426 -0.164 23 HZ2 LYS 3 HZ2 LYS 3 -3.304 -9.087 0.033 24 HZ3 LYS 3 HZ3 LYS 3 -3.110 -7.406 -0.112 25 H ASP 4 HN ASP 4 -7.557 -9.328 -5.325 26 HA ASP 4 HA ASP 4 -6.387 -7.211 -6.981 27 HB2 ASP 4 HB2 ASP 4 -9.192 -8.428 -7.149 28 HB3 ASP 4 HB1 ASP 4 -8.899 -6.720 -7.637 29 H ASN 5 HN ASN 5 -6.864 -5.057 -6.255 30 HA ASN 5 HA ASN 5 -7.956 -5.066 -3.541 31 HB2 ASN 5 HB2 ASN 5 -6.532 -2.850 -5.137 32 HB3 ASN 5 HB1 ASN 5 -7.136 -2.671 -3.449 33 HD21 ASN 5 HD21 ASN 5 -4.337 -2.578 -4.724 34 HD22 ASN 5 HD22 ASN 5 -3.392 -3.676 -3.773 35 H LEU 6 HN LEU 6 -8.937 -4.759 -6.743 36 HA LEU 6 HA LEU 6 -11.095 -2.955 -5.937 37 HB2 LEU 6 HB2 LEU 6 -9.912 -3.462 -8.739 38 HB3 LEU 6 HB1 LEU 6 -11.396 -2.505 -8.429 39 HG LEU 6 HG LEU 6 -8.659 -1.829 -7.263 40 HD11 LEU 6 HD11 LEU 6 -8.292 -1.509 -9.568 41 HD12 LEU 6 HD12 LEU 6 -8.826 0.123 -9.007 42 HD13 LEU 6 HD13 LEU 6 -9.985 -0.961 -9.864 43 HD21 LEU 6 HD21 LEU 6 -11.372 -0.415 -7.252 44 HD22 LEU 6 HD22 LEU 6 -9.832 0.500 -7.038 45 HD23 LEU 6 HD23 LEU 6 -10.281 -0.797 -5.866 46 HA PRO 7 HA PRO 7 -13.799 -6.280 -6.629 47 HB2 PRO 7 HB2 PRO 7 -15.919 -5.057 -7.929 48 HB3 PRO 7 HB1 PRO 7 -15.604 -4.913 -6.147 49 HG2 PRO 7 HG2 PRO 7 -14.923 -2.998 -8.402 50 HG3 PRO 7 HG1 PRO 7 -15.539 -2.647 -6.743 51 HD2 PRO 7 HD2 PRO 7 -12.892 -2.350 -7.425 52 HD3 PRO 7 HD1 PRO 7 -13.415 -2.843 -5.764 53 H ALA 8 HN ALA 8 -14.775 -7.682 -8.220 54 HA ALA 8 HA ALA 8 -13.171 -7.835 -10.509 55 HB1 ALA 8 HB1 ALA 8 -14.420 -9.810 -9.364 56 HB2 ALA 8 HB2 ALA 8 -14.489 -9.762 -11.167 57 HB3 ALA 8 HB3 ALA 8 -15.897 -9.189 -10.193 58 H ALA 9 HN ALA 9 -16.421 -6.492 -9.823 59 HA ALA 9 HA ALA 9 -17.181 -6.214 -12.501 60 HB1 ALA 9 HB1 ALA 9 -17.897 -4.504 -10.052 61 HB2 ALA 9 HB2 ALA 9 -18.888 -5.829 -10.771 62 HB3 ALA 9 HB3 ALA 9 -18.656 -4.283 -11.673 63 H THR 10 HN THR 10 -15.220 -4.102 -10.302 64 HA THR 10 HA THR 10 -15.094 -2.024 -12.264 65 HB THR 10 HB THR 10 -13.382 -2.586 -9.802 66 HG1 THR 10 HG1 THR 10 -14.817 -0.290 -9.971 67 HG21 THR 10 HG21 THR 10 -11.928 -1.400 -11.295 68 HG22 THR 10 HG22 THR 10 -12.663 -0.111 -10.267 69 HG23 THR 10 HG23 THR 10 -13.274 -0.387 -11.942 70 H CYS 11 HN CYS 11 -12.904 -4.693 -11.166 71 HA CYS 11 HA CYS 11 -10.807 -3.969 -12.881 72 HB2 CYS 11 HB2 CYS 11 -11.655 -6.727 -11.842 73 HB3 CYS 11 HB1 CYS 11 -10.150 -6.426 -12.767 74 H SER 12 HN SER 12 -13.805 -5.828 -13.392 75 HA SER 12 HA SER 12 -13.073 -6.899 -15.880 76 HB2 SER 12 HB2 SER 12 -15.850 -6.138 -14.813 77 HB3 SER 12 HB1 SER 12 -15.561 -7.061 -16.341 78 HG SER 12 HG SER 12 -14.850 -7.791 -13.688 79 H ASN 13 HN ASN 13 -14.602 -3.838 -14.831 80 HA ASN 13 HA ASN 13 -15.027 -2.962 -17.495 81 HB2 ASN 13 HB2 ASN 13 -14.841 -1.468 -14.826 82 HB3 ASN 13 HB1 ASN 13 -15.125 -0.623 -16.387 83 HD21 ASN 13 HD21 ASN 13 -16.945 -0.555 -14.176 84 HD22 ASN 13 HD22 ASN 13 -18.407 -1.351 -14.646 85 H VAL 14 HN VAL 14 -12.393 -2.815 -15.103 86 HA VAL 14 HA VAL 14 -10.833 -0.893 -16.426 87 HB VAL 14 HB VAL 14 -10.108 -3.268 -14.665 88 HG11 VAL 14 HG11 VAL 14 -8.276 -2.458 -16.388 89 HG12 VAL 14 HG12 VAL 14 -7.815 -2.492 -14.650 90 HG13 VAL 14 HG13 VAL 14 -8.240 -0.929 -15.435 91 HG21 VAL 14 HG21 VAL 14 -11.508 -1.176 -13.892 92 HG22 VAL 14 HG22 VAL 14 -9.948 -0.291 -14.012 93 HG23 VAL 14 HG23 VAL 14 -10.102 -1.699 -12.898 94 H LYS 15 HN LYS 15 -11.036 -4.467 -16.595 95 HA LYS 15 HA LYS 15 -9.023 -4.630 -18.549 96 HB2 LYS 15 HB2 LYS 15 -9.590 -6.629 -17.286 97 HB3 LYS 15 HB1 LYS 15 -11.324 -6.480 -17.768 98 HG2 LYS 15 HG2 LYS 15 -10.120 -8.243 -19.050 99 HG3 LYS 15 HG1 LYS 15 -10.770 -6.937 -20.104 100 HD2 LYS 15 HD2 LYS 15 -8.577 -5.929 -20.354 101 HD3 LYS 15 HD1 LYS 15 -7.872 -6.987 -19.082 102 HE2 LYS 15 HE2 LYS 15 -7.201 -7.833 -21.306 103 HE3 LYS 15 HE1 LYS 15 -8.367 -9.011 -20.571 104 HZ1 LYS 15 HZ1 LYS 15 -8.577 -8.016 -23.015 105 HZ2 LYS 15 HZ2 LYS 15 -9.519 -6.875 -22.180 106 HZ3 LYS 15 HZ3 LYS 15 -9.904 -8.527 -22.087 107 H ALA 16 HN ALA 16 -12.593 -4.307 -18.566 108 HA ALA 16 HA ALA 16 -12.747 -4.646 -21.412 109 HB1 ALA 16 HB1 ALA 16 -14.741 -4.989 -19.822 110 HB2 ALA 16 HB2 ALA 16 -15.087 -3.925 -21.236 111 HB3 ALA 16 HB3 ALA 16 -14.773 -3.199 -19.615 112 H ASN 17 HN ASN 17 -11.301 -2.285 -19.563 113 HA ASN 17 HA ASN 17 -12.023 -0.248 -21.569 114 HB2 ASN 17 HB2 ASN 17 -11.497 -0.047 -18.593 115 HB3 ASN 17 HB1 ASN 17 -10.782 1.246 -19.629 116 HD21 ASN 17 HD21 ASN 17 -13.808 -0.275 -18.490 117 HD22 ASN 17 HD22 ASN 17 -14.868 1.010 -18.979 118 H ASN 18 HN ASN 18 -9.774 -2.558 -20.612 119 HA ASN 18 HA ASN 18 -7.620 -2.849 -21.145 120 HB2 ASN 18 HB2 ASN 18 -7.908 -0.383 -22.967 121 HB3 ASN 18 HB1 ASN 18 -6.559 -1.572 -23.013 122 HD21 ASN 18 HD21 ASN 18 -9.153 -0.648 -24.742 123 HD22 ASN 18 HD22 ASN 18 -9.692 -2.162 -25.389 124 H ASN 19 HN ASN 19 -8.588 -0.991 -18.938 125 HA ASN 19 HA ASN 19 -6.482 0.997 -18.894 126 HB2 ASN 19 HB2 ASN 19 -8.667 0.222 -16.882 127 HB3 ASN 19 HB1 ASN 19 -7.378 1.417 -16.497 128 HD21 ASN 19 HD21 ASN 19 -10.161 2.038 -16.467 129 HD22 ASN 19 HD22 ASN 19 -10.487 3.179 -17.727 130 H CYS 20 HN CYS 20 -6.671 -2.292 -18.525 131 HA CYS 20 HA CYS 20 -5.235 -2.615 -16.102 132 HB2 CYS 20 HB2 CYS 20 -6.215 -4.343 -18.271 133 HB3 CYS 20 HB1 CYS 20 -4.510 -4.744 -17.870 134 H SER 21 HN SER 21 -4.429 -1.127 -19.045 135 HA SER 21 HA SER 21 -1.666 -2.023 -18.939 136 HB2 SER 21 HB2 SER 21 -3.033 0.045 -20.777 137 HB3 SER 21 HB1 SER 21 -1.314 -0.507 -20.922 138 HG SER 21 HG SER 21 -3.597 -1.652 -21.789 139 H SER 22 HN SER 22 -3.568 -0.060 -17.107 140 HA SER 22 HA SER 22 -1.577 2.086 -17.015 141 HB2 SER 22 HB2 SER 22 -3.999 2.835 -17.124 142 HB3 SER 22 HB1 SER 22 -4.319 1.884 -15.617 143 HG SER 22 HG SER 22 -3.486 4.341 -15.815 144 H GLU 23 HN GLU 23 -0.492 2.566 -14.998 145 HA GLU 23 HA GLU 23 -0.083 0.223 -13.434 146 HB2 GLU 23 HB2 GLU 23 0.822 3.129 -13.006 147 HB3 GLU 23 HB1 GLU 23 1.309 1.759 -11.942 148 HG2 GLU 23 HG2 GLU 23 2.474 0.632 -13.831 149 HG3 GLU 23 HG1 GLU 23 1.914 1.925 -14.968 150 H LYS 24 HN LYS 24 -2.587 2.435 -13.598 151 HA LYS 24 HA LYS 24 -2.965 2.761 -10.822 152 HB2 LYS 24 HB2 LYS 24 -3.890 4.401 -12.528 153 HB3 LYS 24 HB1 LYS 24 -4.972 3.083 -13.110 154 HG2 LYS 24 HG2 LYS 24 -6.022 2.942 -10.873 155 HG3 LYS 24 HG1 LYS 24 -4.933 4.229 -10.268 156 HD2 LYS 24 HD2 LYS 24 -5.889 5.828 -11.934 157 HD3 LYS 24 HD1 LYS 24 -6.975 4.537 -12.553 158 HE2 LYS 24 HE2 LYS 24 -8.089 4.388 -10.306 159 HE3 LYS 24 HE1 LYS 24 -6.990 5.686 -9.676 160 HZ1 LYS 24 HZ1 LYS 24 -7.869 7.118 -11.460 161 HZ2 LYS 24 HZ2 LYS 24 -9.040 6.630 -10.330 162 HZ3 LYS 24 HZ3 LYS 24 -8.989 5.909 -11.867 163 H TYR 25 HN TYR 25 -3.553 0.274 -13.230 164 HA TYR 25 HA TYR 25 -5.216 -1.042 -11.210 165 HB2 TYR 25 HB2 TYR 25 -5.522 -1.135 -14.248 166 HB3 TYR 25 HB1 TYR 25 -6.393 -2.228 -13.095 167 HD1 TYR 25 HD1 TYR 25 -6.095 1.175 -14.411 168 HD2 TYR 25 HD2 TYR 25 -8.111 -1.368 -11.686 169 HE1 TYR 25 HE1 TYR 25 -7.850 2.853 -14.131 170 HE2 TYR 25 HE2 TYR 25 -9.858 0.308 -11.412 171 HH TYR 25 HH TYR 25 -9.794 3.134 -11.784 172 H LYS 26 HN LYS 26 -2.243 -0.983 -12.820 173 HA LYS 26 HA LYS 26 -2.086 -3.821 -13.287 174 HB2 LYS 26 HB2 LYS 26 -0.002 -1.580 -13.207 175 HB3 LYS 26 HB1 LYS 26 0.505 -3.300 -13.256 176 HG2 LYS 26 HG2 LYS 26 -0.783 -3.619 -15.378 177 HG3 LYS 26 HG1 LYS 26 -1.265 -1.891 -15.337 178 HD2 LYS 26 HD2 LYS 26 1.100 -1.184 -15.518 179 HD3 LYS 26 HD1 LYS 26 1.648 -2.892 -15.429 180 HE2 LYS 26 HE2 LYS 26 0.475 -3.387 -17.591 181 HE3 LYS 26 HE1 LYS 26 -0.088 -1.670 -17.676 182 HZ1 LYS 26 HZ1 LYS 26 1.864 -1.042 -18.425 183 HZ2 LYS 26 HZ2 LYS 26 2.244 -2.682 -18.649 184 HZ3 LYS 26 HZ3 LYS 26 2.729 -1.885 -17.231 185 H THR 27 HN THR 27 -2.225 -1.843 -10.516 186 HA THR 27 HA THR 27 -0.842 -3.947 -9.016 187 HB THR 27 HB THR 27 0.438 -1.749 -8.995 188 HG1 THR 27 HG1 THR 27 -0.748 -2.768 -6.640 189 HG21 THR 27 HG21 THR 27 -1.874 -0.489 -9.064 190 HG22 THR 27 HG22 THR 27 -0.531 0.202 -8.077 191 HG23 THR 27 HG23 THR 27 -1.856 -0.721 -7.277 192 H ASN 28 HN ASN 28 -3.786 -2.915 -9.903 193 HA ASN 28 HA ASN 28 -4.810 -3.313 -7.181 194 HB2 ASN 28 HB2 ASN 28 -5.771 -1.375 -9.343 195 HB3 ASN 28 HB1 ASN 28 -6.882 -1.973 -8.063 196 HD21 ASN 28 HD21 ASN 28 -3.725 -0.282 -8.606 197 HD22 ASN 28 HD22 ASN 28 -3.780 0.655 -7.146 198 H CYS 29 HN CYS 29 -4.986 -3.880 -10.705 199 HA CYS 29 HA CYS 29 -6.902 -6.022 -10.077 200 HB2 CYS 29 HB2 CYS 29 -6.794 -4.254 -12.591 201 HB3 CYS 29 HB1 CYS 29 -7.741 -5.775 -12.478 202 H ALA 30 HN ALA 30 -4.157 -6.369 -9.850 203 HA ALA 30 HA ALA 30 -2.925 -7.024 -12.279 204 HB1 ALA 30 HB1 ALA 30 -1.284 -6.980 -10.607 205 HB2 ALA 30 HB2 ALA 30 -1.650 -8.746 -10.590 206 HB3 ALA 30 HB3 ALA 30 -2.411 -7.654 -9.372 207 H LYS 31 HN LYS 31 -5.074 -8.841 -10.039 208 HA LYS 31 HA LYS 31 -4.591 -11.366 -11.163 209 HB2 LYS 31 HB2 LYS 31 -5.904 -10.919 -8.998 210 HB3 LYS 31 HB1 LYS 31 -7.259 -10.362 -10.037 211 HG2 LYS 31 HG2 LYS 31 -7.309 -12.614 -11.149 212 HG3 LYS 31 HG1 LYS 31 -6.005 -13.163 -10.042 213 HD2 LYS 31 HD2 LYS 31 -7.465 -12.764 -8.078 214 HD3 LYS 31 HD1 LYS 31 -8.760 -12.117 -9.143 215 HE2 LYS 31 HE2 LYS 31 -9.265 -14.471 -8.531 216 HE3 LYS 31 HE1 LYS 31 -8.883 -14.385 -10.301 217 HZ1 LYS 31 HZ1 LYS 31 -6.676 -14.879 -8.445 218 HZ2 LYS 31 HZ2 LYS 31 -6.962 -15.477 -10.009 219 HZ3 LYS 31 HZ3 LYS 31 -7.799 -16.129 -8.683 220 H THR 32 HN THR 32 -6.963 -8.747 -11.984 221 HA THR 32 HA THR 32 -8.151 -10.328 -14.058 222 HB THR 32 HB THR 32 -8.214 -7.303 -13.605 223 HG1 THR 32 HG1 THR 32 -9.577 -9.484 -12.606 224 HG21 THR 32 HG21 THR 32 -9.899 -9.137 -15.438 225 HG22 THR 32 HG22 THR 32 -8.695 -7.911 -15.982 226 HG23 THR 32 HG23 THR 32 -10.214 -7.378 -15.151 227 H CYS 33 HN CYS 33 -5.563 -7.849 -13.792 228 HA CYS 33 HA CYS 33 -5.268 -7.462 -16.549 229 HB2 CYS 33 HB2 CYS 33 -3.184 -7.372 -14.296 230 HB3 CYS 33 HB1 CYS 33 -2.849 -6.862 -15.983 231 H GLY 34 HN GLY 34 -3.960 -9.939 -14.253 232 HA2 GLY 34 HA2 GLY 34 -3.608 -12.123 -15.035 233 HA3 GLY 34 HA1 GLY 34 -3.198 -11.437 -16.670 234 H GLU 35 HN GLU 35 -2.013 -9.579 -14.007 235 HA GLU 35 HA GLU 35 0.648 -10.065 -14.801 236 HB2 GLU 35 HB2 GLU 35 -0.481 -8.835 -12.216 237 HB3 GLU 35 HB1 GLU 35 1.273 -8.891 -12.607 238 HG2 GLU 35 HG2 GLU 35 -0.891 -7.452 -14.292 239 HG3 GLU 35 HG1 GLU 35 0.295 -6.660 -13.179 240 H CYS 36 HN CYS 36 -1.507 -11.334 -12.204 241 HA CYS 36 HA CYS 36 0.613 -13.310 -11.691 242 HB2 CYS 36 HB2 CYS 36 -0.552 -13.615 -9.388 243 HB3 CYS 36 HB1 CYS 36 0.437 -12.129 -9.594 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 1.497 -12.932 -8.378 2 H2 ALA 1 HT2 ALA 1 -0.003 -13.704 -8.173 3 H3 ALA 1 HT3 ALA 1 0.919 -13.265 -6.814 4 HA ALA 1 HA ALA 1 0.137 -11.233 -6.784 5 HB1 ALA 1 HB1 ALA 1 1.619 -10.639 -8.735 6 HB2 ALA 1 HB2 ALA 1 0.049 -9.753 -8.799 7 HB3 ALA 1 HB3 ALA 1 0.315 -11.195 -9.849 8 H CYS 2 HN CYS 2 -1.602 -13.510 -6.774 9 HA CYS 2 HA CYS 2 -3.820 -12.708 -8.468 10 HB2 CYS 2 HB2 CYS 2 -3.282 -15.079 -6.616 11 HB3 CYS 2 HB1 CYS 2 -4.968 -14.668 -7.076 12 H LYS 3 HN LYS 3 -3.793 -10.537 -7.274 13 HA LYS 3 HA LYS 3 -5.560 -10.849 -4.975 14 HB2 LYS 3 HB2 LYS 3 -3.157 -8.930 -5.114 15 HB3 LYS 3 HB1 LYS 3 -4.434 -8.889 -3.846 16 HG2 LYS 3 HG2 LYS 3 -3.805 -11.192 -3.119 17 HG3 LYS 3 HG1 LYS 3 -2.538 -11.252 -4.390 18 HD2 LYS 3 HD2 LYS 3 -1.388 -9.299 -3.332 19 HD3 LYS 3 HD1 LYS 3 -2.657 -9.238 -2.061 20 HE2 LYS 3 HE2 LYS 3 -2.007 -11.540 -1.293 21 HE3 LYS 3 HE1 LYS 3 -0.732 -11.607 -2.580 22 HZ1 LYS 3 HZ1 LYS 3 -0.443 -10.655 -0.060 23 HZ2 LYS 3 HZ2 LYS 3 -0.606 -9.232 -0.972 24 HZ3 LYS 3 HZ3 LYS 3 0.597 -10.363 -1.369 25 H ASP 4 HN ASP 4 -7.074 -9.046 -4.757 26 HA ASP 4 HA ASP 4 -6.902 -7.161 -6.985 27 HB2 ASP 4 HB2 ASP 4 -9.264 -8.954 -6.242 28 HB3 ASP 4 HB1 ASP 4 -9.563 -7.320 -6.934 29 H ASN 5 HN ASN 5 -6.926 -5.098 -6.156 30 HA ASN 5 HA ASN 5 -7.953 -4.853 -3.430 31 HB2 ASN 5 HB2 ASN 5 -6.400 -2.899 -5.228 32 HB3 ASN 5 HB1 ASN 5 -7.023 -2.472 -3.593 33 HD21 ASN 5 HD21 ASN 5 -4.243 -2.403 -4.421 34 HD22 ASN 5 HD22 ASN 5 -3.379 -3.555 -3.457 35 H LEU 6 HN LEU 6 -8.989 -4.696 -6.627 36 HA LEU 6 HA LEU 6 -11.062 -2.774 -5.870 37 HB2 LEU 6 HB2 LEU 6 -9.865 -3.349 -8.650 38 HB3 LEU 6 HB1 LEU 6 -11.328 -2.349 -8.370 39 HG LEU 6 HG LEU 6 -8.606 -1.732 -7.147 40 HD11 LEU 6 HD11 LEU 6 -8.007 -1.308 -9.316 41 HD12 LEU 6 HD12 LEU 6 -8.895 0.234 -9.007 42 HD13 LEU 6 HD13 LEU 6 -9.714 -1.123 -9.868 43 HD21 LEU 6 HD21 LEU 6 -9.684 0.624 -6.976 44 HD22 LEU 6 HD22 LEU 6 -10.291 -0.643 -5.844 45 HD23 LEU 6 HD23 LEU 6 -11.255 -0.199 -7.302 46 HA PRO 7 HA PRO 7 -13.900 -5.992 -6.543 47 HB2 PRO 7 HB2 PRO 7 -15.923 -4.725 -7.961 48 HB3 PRO 7 HB1 PRO 7 -15.669 -4.548 -6.171 49 HG2 PRO 7 HG2 PRO 7 -14.824 -2.722 -8.443 50 HG3 PRO 7 HG1 PRO 7 -15.487 -2.302 -6.821 51 HD2 PRO 7 HD2 PRO 7 -12.812 -2.123 -7.396 52 HD3 PRO 7 HD1 PRO 7 -13.412 -2.575 -5.750 53 H ALA 8 HN ALA 8 -14.843 -7.431 -8.100 54 HA ALA 8 HA ALA 8 -13.189 -7.699 -10.345 55 HB1 ALA 8 HB1 ALA 8 -15.936 -9.009 -10.040 56 HB2 ALA 8 HB2 ALA 8 -14.490 -9.608 -9.141 57 HB3 ALA 8 HB3 ALA 8 -14.508 -9.639 -10.945 58 H ALA 9 HN ALA 9 -16.429 -6.284 -9.788 59 HA ALA 9 HA ALA 9 -17.132 -6.121 -12.490 60 HB1 ALA 9 HB1 ALA 9 -18.631 -4.186 -11.807 61 HB2 ALA 9 HB2 ALA 9 -17.862 -4.235 -10.175 62 HB3 ALA 9 HB3 ALA 9 -18.840 -5.635 -10.754 63 H THR 10 HN THR 10 -15.191 -3.929 -10.351 64 HA THR 10 HA THR 10 -14.989 -1.956 -12.418 65 HB THR 10 HB THR 10 -13.327 -2.395 -9.896 66 HG1 THR 10 HG1 THR 10 -14.861 -0.151 -10.251 67 HG21 THR 10 HG21 THR 10 -12.634 0.059 -10.445 68 HG22 THR 10 HG22 THR 10 -13.245 -0.269 -12.112 69 HG23 THR 10 HG23 THR 10 -11.887 -1.248 -11.439 70 H CYS 11 HN CYS 11 -12.872 -4.593 -11.120 71 HA CYS 11 HA CYS 11 -10.709 -3.985 -12.797 72 HB2 CYS 11 HB2 CYS 11 -11.635 -6.677 -11.652 73 HB3 CYS 11 HB1 CYS 11 -10.097 -6.450 -12.545 74 H SER 12 HN SER 12 -13.718 -5.832 -13.311 75 HA SER 12 HA SER 12 -12.895 -7.014 -15.733 76 HB2 SER 12 HB2 SER 12 -15.718 -6.277 -14.765 77 HB3 SER 12 HB1 SER 12 -15.371 -7.252 -16.246 78 HG SER 12 HG SER 12 -14.752 -7.853 -13.542 79 H ASN 13 HN ASN 13 -14.448 -3.908 -14.847 80 HA ASN 13 HA ASN 13 -14.852 -3.159 -17.560 81 HB2 ASN 13 HB2 ASN 13 -15.942 -2.096 -15.388 82 HB3 ASN 13 HB1 ASN 13 -14.408 -1.160 -15.291 83 HD21 ASN 13 HD21 ASN 13 -15.231 0.880 -15.748 84 HD22 ASN 13 HD22 ASN 13 -15.948 1.314 -17.261 85 H VAL 14 HN VAL 14 -12.260 -2.871 -15.135 86 HA VAL 14 HA VAL 14 -10.666 -1.040 -16.549 87 HB VAL 14 HB VAL 14 -9.993 -3.285 -14.604 88 HG11 VAL 14 HG11 VAL 14 -8.009 -1.057 -15.064 89 HG12 VAL 14 HG12 VAL 14 -8.193 -2.177 -16.453 90 HG13 VAL 14 HG13 VAL 14 -7.727 -2.819 -14.840 91 HG21 VAL 14 HG21 VAL 14 -9.767 -0.312 -14.052 92 HG22 VAL 14 HG22 VAL 14 -10.196 -1.668 -12.946 93 HG23 VAL 14 HG23 VAL 14 -11.411 -1.042 -14.122 94 H LYS 15 HN LYS 15 -10.854 -4.623 -16.469 95 HA LYS 15 HA LYS 15 -8.769 -4.914 -18.337 96 HB2 LYS 15 HB2 LYS 15 -9.179 -6.905 -17.144 97 HB3 LYS 15 HB1 LYS 15 -10.967 -6.675 -17.213 98 HG2 LYS 15 HG2 LYS 15 -9.643 -7.026 -19.878 99 HG3 LYS 15 HG1 LYS 15 -9.503 -8.440 -18.782 100 HD2 LYS 15 HD2 LYS 15 -12.049 -8.234 -18.403 101 HD3 LYS 15 HD1 LYS 15 -12.066 -7.044 -19.751 102 HE2 LYS 15 HE2 LYS 15 -11.119 -8.780 -21.300 103 HE3 LYS 15 HE1 LYS 15 -11.089 -9.978 -19.938 104 HZ1 LYS 15 HZ1 LYS 15 -13.108 -9.659 -21.636 105 HZ2 LYS 15 HZ2 LYS 15 -13.620 -8.625 -20.391 106 HZ3 LYS 15 HZ3 LYS 15 -13.278 -10.254 -20.054 107 H ALA 16 HN ALA 16 -12.332 -4.509 -18.501 108 HA ALA 16 HA ALA 16 -12.367 -5.089 -21.328 109 HB1 ALA 16 HB1 ALA 16 -14.476 -3.573 -19.689 110 HB2 ALA 16 HB2 ALA 16 -14.428 -5.370 -19.833 111 HB3 ALA 16 HB3 ALA 16 -14.720 -4.355 -21.295 112 H ASN 17 HN ASN 17 -11.049 -2.580 -19.560 113 HA ASN 17 HA ASN 17 -11.678 -0.697 -21.745 114 HB2 ASN 17 HB2 ASN 17 -11.381 -0.282 -18.765 115 HB3 ASN 17 HB1 ASN 17 -10.599 0.950 -19.826 116 HD21 ASN 17 HD21 ASN 17 -13.714 -0.660 -19.020 117 HD22 ASN 17 HD22 ASN 17 -14.736 0.615 -19.607 118 H ASN 18 HN ASN 18 -9.438 -2.867 -20.506 119 HA ASN 18 HA ASN 18 -7.242 -3.115 -20.852 120 HB2 ASN 18 HB2 ASN 18 -7.494 -0.815 -22.885 121 HB3 ASN 18 HB1 ASN 18 -6.095 -1.939 -22.740 122 HD21 ASN 18 HD21 ASN 18 -8.578 -1.281 -24.722 123 HD22 ASN 18 HD22 ASN 18 -9.011 -2.865 -25.273 124 H ASN 19 HN ASN 19 -8.324 -1.261 -18.783 125 HA ASN 19 HA ASN 19 -6.412 0.914 -18.796 126 HB2 ASN 19 HB2 ASN 19 -8.502 -0.015 -16.749 127 HB3 ASN 19 HB1 ASN 19 -7.338 1.314 -16.409 128 HD21 ASN 19 HD21 ASN 19 -10.187 1.619 -16.396 129 HD22 ASN 19 HD22 ASN 19 -10.626 2.696 -17.678 130 H CYS 20 HN CYS 20 -6.232 -2.345 -18.392 131 HA CYS 20 HA CYS 20 -4.867 -2.595 -15.946 132 HB2 CYS 20 HB2 CYS 20 -5.094 -4.228 -18.477 133 HB3 CYS 20 HB1 CYS 20 -3.659 -4.540 -17.439 134 H SER 21 HN SER 21 -4.026 -1.104 -18.995 135 HA SER 21 HA SER 21 -1.218 -1.518 -18.739 136 HB2 SER 21 HB2 SER 21 -2.797 0.643 -20.275 137 HB3 SER 21 HB1 SER 21 -1.008 0.396 -20.402 138 HG SER 21 HG SER 21 -2.215 -0.649 -22.034 139 H SER 22 HN SER 22 -3.603 0.427 -17.106 140 HA SER 22 HA SER 22 -1.685 2.485 -16.442 141 HB2 SER 22 HB2 SER 22 -4.144 3.087 -16.611 142 HB3 SER 22 HB1 SER 22 -4.478 1.932 -15.259 143 HG SER 22 HG SER 22 -3.885 4.419 -15.047 144 H GLU 23 HN GLU 23 -0.722 2.744 -14.337 145 HA GLU 23 HA GLU 23 -0.332 0.224 -13.037 146 HB2 GLU 23 HB2 GLU 23 0.560 3.065 -12.262 147 HB3 GLU 23 HB1 GLU 23 1.030 1.577 -11.364 148 HG2 GLU 23 HG2 GLU 23 2.215 0.684 -13.378 149 HG3 GLU 23 HG1 GLU 23 1.707 2.140 -14.326 150 H LYS 24 HN LYS 24 -2.866 2.379 -13.094 151 HA LYS 24 HA LYS 24 -3.334 2.483 -10.304 152 HB2 LYS 24 HB2 LYS 24 -4.235 4.251 -11.876 153 HB3 LYS 24 HB1 LYS 24 -5.251 2.973 -12.640 154 HG2 LYS 24 HG2 LYS 24 -6.409 2.589 -10.489 155 HG3 LYS 24 HG1 LYS 24 -5.385 3.829 -9.700 156 HD2 LYS 24 HD2 LYS 24 -6.295 5.569 -11.244 157 HD3 LYS 24 HD1 LYS 24 -7.311 4.326 -12.052 158 HE2 LYS 24 HE2 LYS 24 -8.542 3.925 -9.901 159 HE3 LYS 24 HE1 LYS 24 -7.510 5.168 -9.077 160 HZ1 LYS 24 HZ1 LYS 24 -8.853 5.967 -11.544 161 HZ2 LYS 24 HZ2 LYS 24 -8.571 6.826 -10.106 162 HZ3 LYS 24 HZ3 LYS 24 -9.836 5.696 -10.186 163 H TYR 25 HN TYR 25 -3.769 0.209 -12.917 164 HA TYR 25 HA TYR 25 -5.432 -1.346 -11.077 165 HB2 TYR 25 HB2 TYR 25 -5.717 -1.196 -14.119 166 HB3 TYR 25 HB1 TYR 25 -6.638 -2.309 -13.028 167 HD1 TYR 25 HD1 TYR 25 -6.275 1.092 -14.278 168 HD2 TYR 25 HD2 TYR 25 -8.294 -1.414 -11.527 169 HE1 TYR 25 HE1 TYR 25 -7.991 2.802 -13.966 170 HE2 TYR 25 HE2 TYR 25 -9.999 0.297 -11.223 171 HH TYR 25 HH TYR 25 -9.808 3.213 -11.675 172 H LYS 26 HN LYS 26 -2.503 -0.997 -12.702 173 HA LYS 26 HA LYS 26 -2.236 -3.694 -13.573 174 HB2 LYS 26 HB2 LYS 26 -0.809 -1.504 -14.219 175 HB3 LYS 26 HB1 LYS 26 0.153 -1.996 -12.784 176 HG2 LYS 26 HG2 LYS 26 0.658 -4.162 -13.763 177 HG3 LYS 26 HG1 LYS 26 -0.494 -3.884 -15.116 178 HD2 LYS 26 HD2 LYS 26 0.935 -1.859 -15.778 179 HD3 LYS 26 HD1 LYS 26 2.140 -2.399 -14.559 180 HE2 LYS 26 HE2 LYS 26 2.387 -4.589 -15.765 181 HE3 LYS 26 HE1 LYS 26 1.163 -4.050 -16.990 182 HZ1 LYS 26 HZ1 LYS 26 2.750 -2.045 -17.209 183 HZ2 LYS 26 HZ2 LYS 26 3.136 -3.520 -17.955 184 HZ3 LYS 26 HZ3 LYS 26 3.902 -3.075 -16.506 185 H THR 27 HN THR 27 -2.070 -1.985 -10.492 186 HA THR 27 HA THR 27 -0.855 -4.413 -9.360 187 HB THR 27 HB THR 27 0.535 -2.251 -9.132 188 HG1 THR 27 HG1 THR 27 -0.445 -3.671 -6.886 189 HG21 THR 27 HG21 THR 27 -1.618 -0.882 -8.749 190 HG22 THR 27 HG22 THR 27 -0.255 -0.557 -7.614 191 HG23 THR 27 HG23 THR 27 -1.644 -1.577 -7.085 192 H ASN 28 HN ASN 28 -3.740 -2.810 -9.830 193 HA ASN 28 HA ASN 28 -4.638 -3.509 -7.115 194 HB2 ASN 28 HB2 ASN 28 -5.771 -1.536 -9.170 195 HB3 ASN 28 HB1 ASN 28 -6.723 -2.111 -7.756 196 HD21 ASN 28 HD21 ASN 28 -3.497 -0.633 -8.588 197 HD22 ASN 28 HD22 ASN 28 -3.415 0.382 -7.183 198 H CYS 29 HN CYS 29 -4.914 -4.067 -10.605 199 HA CYS 29 HA CYS 29 -6.893 -6.139 -9.941 200 HB2 CYS 29 HB2 CYS 29 -6.757 -4.421 -12.492 201 HB3 CYS 29 HB1 CYS 29 -7.784 -5.881 -12.307 202 H ALA 30 HN ALA 30 -4.119 -6.501 -9.774 203 HA ALA 30 HA ALA 30 -2.961 -7.221 -12.216 204 HB1 ALA 30 HB1 ALA 30 -1.679 -8.935 -10.509 205 HB2 ALA 30 HB2 ALA 30 -2.375 -7.777 -9.314 206 HB3 ALA 30 HB3 ALA 30 -1.268 -7.182 -10.608 207 H LYS 31 HN LYS 31 -5.042 -9.003 -9.876 208 HA LYS 31 HA LYS 31 -4.605 -11.535 -11.003 209 HB2 LYS 31 HB2 LYS 31 -5.809 -11.128 -8.793 210 HB3 LYS 31 HB1 LYS 31 -7.199 -10.497 -9.741 211 HG2 LYS 31 HG2 LYS 31 -7.422 -12.701 -10.893 212 HG3 LYS 31 HG1 LYS 31 -6.038 -13.335 -9.937 213 HD2 LYS 31 HD2 LYS 31 -7.316 -12.927 -7.826 214 HD3 LYS 31 HD1 LYS 31 -8.699 -12.292 -8.784 215 HE2 LYS 31 HE2 LYS 31 -8.959 -14.527 -9.900 216 HE3 LYS 31 HE1 LYS 31 -7.558 -15.168 -8.943 217 HZ1 LYS 31 HZ1 LYS 31 -9.819 -15.634 -8.057 218 HZ2 LYS 31 HZ2 LYS 31 -9.986 -13.980 -7.708 219 HZ3 LYS 31 HZ3 LYS 31 -8.757 -14.885 -6.964 220 H THR 32 HN THR 32 -7.016 -8.920 -11.739 221 HA THR 32 HA THR 32 -8.301 -10.508 -13.744 222 HB THR 32 HB THR 32 -8.296 -7.471 -13.370 223 HG1 THR 32 HG1 THR 32 -9.814 -9.607 -12.363 224 HG21 THR 32 HG21 THR 32 -8.914 -8.295 -15.706 225 HG22 THR 32 HG22 THR 32 -10.285 -7.485 -14.849 226 HG23 THR 32 HG23 THR 32 -10.225 -9.291 -14.965 227 H CYS 33 HN CYS 33 -5.682 -8.054 -13.627 228 HA CYS 33 HA CYS 33 -5.495 -7.709 -16.394 229 HB2 CYS 33 HB2 CYS 33 -3.325 -7.610 -14.227 230 HB3 CYS 33 HB1 CYS 33 -3.053 -7.119 -15.932 231 H GLY 34 HN GLY 34 -4.078 -10.152 -14.123 232 HA2 GLY 34 HA2 GLY 34 -3.768 -12.349 -14.872 233 HA3 GLY 34 HA1 GLY 34 -3.467 -11.705 -16.546 234 H GLU 35 HN GLU 35 -2.190 -10.278 -13.521 235 HA GLU 35 HA GLU 35 0.464 -10.680 -14.640 236 HB2 GLU 35 HB2 GLU 35 -0.370 -9.288 -12.027 237 HB3 GLU 35 HB1 GLU 35 1.269 -9.253 -12.769 238 HG2 GLU 35 HG2 GLU 35 -1.266 -8.132 -14.135 239 HG3 GLU 35 HG1 GLU 35 -0.081 -7.143 -13.190 240 H CYS 36 HN CYS 36 -1.762 -12.377 -12.777 241 HA CYS 36 HA CYS 36 -0.079 -13.312 -10.716 242 HB2 CYS 36 HB2 CYS 36 -2.757 -13.649 -11.218 243 HB3 CYS 36 HB1 CYS 36 -2.130 -15.181 -11.916 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 1.075 -13.449 -7.204 2 H2 ALA 1 HT2 ALA 1 1.529 -12.355 -5.985 3 H3 ALA 1 HT3 ALA 1 2.610 -12.720 -7.245 4 HA ALA 1 HA ALA 1 1.241 -10.544 -7.269 5 HB1 ALA 1 HB1 ALA 1 2.817 -11.403 -9.086 6 HB2 ALA 1 HB2 ALA 1 1.399 -10.498 -9.737 7 HB3 ALA 1 HB3 ALA 1 1.415 -12.303 -9.780 8 H CYS 2 HN CYS 2 -0.637 -12.637 -6.200 9 HA CYS 2 HA CYS 2 -2.847 -12.120 -8.064 10 HB2 CYS 2 HB2 CYS 2 -2.699 -14.285 -5.886 11 HB3 CYS 2 HB1 CYS 2 -4.021 -14.058 -7.082 12 H LYS 3 HN LYS 3 -4.066 -10.410 -7.349 13 HA LYS 3 HA LYS 3 -5.026 -10.490 -4.682 14 HB2 LYS 3 HB2 LYS 3 -4.160 -8.268 -3.945 15 HB3 LYS 3 HB1 LYS 3 -2.813 -9.438 -4.170 16 HG2 LYS 3 HG2 LYS 3 -2.410 -8.491 -6.477 17 HG3 LYS 3 HG1 LYS 3 -3.697 -7.273 -6.174 18 HD2 LYS 3 HD2 LYS 3 -2.408 -6.388 -4.231 19 HD3 LYS 3 HD1 LYS 3 -1.131 -7.622 -4.504 20 HE2 LYS 3 HE2 LYS 3 -0.656 -6.635 -6.766 21 HE3 LYS 3 HE1 LYS 3 -1.944 -5.390 -6.489 22 HZ1 LYS 3 HZ1 LYS 3 0.681 -5.704 -5.203 23 HZ2 LYS 3 HZ2 LYS 3 -0.582 -4.965 -4.343 24 HZ3 LYS 3 HZ3 LYS 3 -0.075 -4.319 -5.831 25 H ASP 4 HN ASP 4 -6.642 -8.655 -4.347 26 HA ASP 4 HA ASP 4 -7.262 -7.301 -6.842 27 HB2 ASP 4 HB2 ASP 4 -9.419 -8.801 -5.249 28 HB3 ASP 4 HB1 ASP 4 -9.637 -7.912 -6.801 29 H ASN 5 HN ASN 5 -7.251 -5.164 -6.223 30 HA ASN 5 HA ASN 5 -8.168 -4.643 -3.485 31 HB2 ASN 5 HB2 ASN 5 -6.659 -2.886 -5.506 32 HB3 ASN 5 HB1 ASN 5 -7.273 -2.283 -3.925 33 HD21 ASN 5 HD21 ASN 5 -4.500 -2.296 -4.795 34 HD22 ASN 5 HD22 ASN 5 -3.617 -3.318 -3.710 35 H LEU 6 HN LEU 6 -9.253 -4.850 -6.663 36 HA LEU 6 HA LEU 6 -11.401 -2.971 -6.038 37 HB2 LEU 6 HB2 LEU 6 -10.164 -3.536 -8.807 38 HB3 LEU 6 HB1 LEU 6 -11.633 -2.547 -8.524 39 HG LEU 6 HG LEU 6 -8.904 -1.887 -7.331 40 HD11 LEU 6 HD11 LEU 6 -8.372 -1.567 -9.566 41 HD12 LEU 6 HD12 LEU 6 -9.111 0.039 -9.187 42 HD13 LEU 6 HD13 LEU 6 -10.080 -1.222 -10.040 43 HD21 LEU 6 HD21 LEU 6 -11.573 -0.391 -7.479 44 HD22 LEU 6 HD22 LEU 6 -10.010 0.464 -7.196 45 HD23 LEU 6 HD23 LEU 6 -10.577 -0.790 -6.028 46 HA PRO 7 HA PRO 7 -13.968 -6.415 -6.716 47 HB2 PRO 7 HB2 PRO 7 -16.115 -5.288 -8.052 48 HB3 PRO 7 HB1 PRO 7 -15.825 -5.105 -6.269 49 HG2 PRO 7 HG2 PRO 7 -15.188 -3.202 -8.548 50 HG3 PRO 7 HG1 PRO 7 -15.837 -2.847 -6.903 51 HD2 PRO 7 HD2 PRO 7 -13.191 -2.463 -7.558 52 HD3 PRO 7 HD1 PRO 7 -13.719 -2.946 -5.894 53 H ALA 8 HN ALA 8 -14.875 -7.868 -8.311 54 HA ALA 8 HA ALA 8 -13.226 -7.997 -10.567 55 HB1 ALA 8 HB1 ALA 8 -15.922 -9.418 -10.277 56 HB2 ALA 8 HB2 ALA 8 -14.431 -9.999 -9.441 57 HB3 ALA 8 HB3 ALA 8 -14.498 -9.955 -11.245 58 H ALA 9 HN ALA 9 -16.527 -6.738 -9.972 59 HA ALA 9 HA ALA 9 -17.222 -6.497 -12.674 60 HB1 ALA 9 HB1 ALA 9 -18.713 -4.520 -11.837 61 HB2 ALA 9 HB2 ALA 9 -18.081 -4.918 -10.193 62 HB3 ALA 9 HB3 ALA 9 -19.038 -6.140 -11.113 63 H THR 10 HN THR 10 -15.408 -4.312 -10.421 64 HA THR 10 HA THR 10 -15.279 -2.247 -12.398 65 HB THR 10 HB THR 10 -13.638 -2.717 -9.870 66 HG1 THR 10 HG1 THR 10 -15.200 -0.504 -10.113 67 HG21 THR 10 HG21 THR 10 -13.576 -0.529 -12.020 68 HG22 THR 10 HG22 THR 10 -12.199 -1.457 -11.312 69 HG23 THR 10 HG23 THR 10 -13.046 -0.204 -10.326 70 H CYS 11 HN CYS 11 -13.070 -4.855 -11.201 71 HA CYS 11 HA CYS 11 -10.907 -4.076 -12.795 72 HB2 CYS 11 HB2 CYS 11 -11.760 -6.861 -11.837 73 HB3 CYS 11 HB1 CYS 11 -10.220 -6.531 -12.690 74 H SER 12 HN SER 12 -13.845 -5.968 -13.486 75 HA SER 12 HA SER 12 -12.948 -6.974 -15.954 76 HB2 SER 12 HB2 SER 12 -15.807 -6.336 -15.018 77 HB3 SER 12 HB1 SER 12 -15.406 -7.220 -16.541 78 HG SER 12 HG SER 12 -14.824 -7.968 -13.863 79 H ASN 13 HN ASN 13 -14.554 -3.950 -14.900 80 HA ASN 13 HA ASN 13 -14.899 -3.024 -17.571 81 HB2 ASN 13 HB2 ASN 13 -16.090 -2.136 -15.378 82 HB3 ASN 13 HB1 ASN 13 -14.578 -1.190 -15.145 83 HD21 ASN 13 HD21 ASN 13 -15.462 0.860 -15.460 84 HD22 ASN 13 HD22 ASN 13 -16.105 1.402 -16.971 85 H VAL 14 HN VAL 14 -12.377 -2.891 -15.059 86 HA VAL 14 HA VAL 14 -10.789 -0.921 -16.274 87 HB VAL 14 HB VAL 14 -10.106 -3.306 -14.503 88 HG11 VAL 14 HG11 VAL 14 -8.259 -0.906 -15.145 89 HG12 VAL 14 HG12 VAL 14 -8.203 -2.426 -16.109 90 HG13 VAL 14 HG13 VAL 14 -7.835 -2.465 -14.348 91 HG21 VAL 14 HG21 VAL 14 -11.604 -1.337 -13.711 92 HG22 VAL 14 HG22 VAL 14 -10.139 -0.307 -13.851 93 HG23 VAL 14 HG23 VAL 14 -10.151 -1.706 -12.717 94 H LYS 15 HN LYS 15 -10.953 -4.492 -16.514 95 HA LYS 15 HA LYS 15 -8.813 -4.601 -18.351 96 HB2 LYS 15 HB2 LYS 15 -9.188 -6.694 -17.349 97 HB3 LYS 15 HB1 LYS 15 -10.980 -6.481 -17.375 98 HG2 LYS 15 HG2 LYS 15 -9.687 -6.602 -20.077 99 HG3 LYS 15 HG1 LYS 15 -9.520 -8.098 -19.100 100 HD2 LYS 15 HD2 LYS 15 -12.068 -7.933 -18.670 101 HD3 LYS 15 HD1 LYS 15 -12.104 -6.658 -19.939 102 HE2 LYS 15 HE2 LYS 15 -11.145 -8.289 -21.600 103 HE3 LYS 15 HE1 LYS 15 -11.127 -9.572 -20.319 104 HZ1 LYS 15 HZ1 LYS 15 -13.074 -9.843 -21.542 105 HZ2 LYS 15 HZ2 LYS 15 -13.463 -8.190 -21.519 106 HZ3 LYS 15 HZ3 LYS 15 -13.566 -9.107 -20.094 107 H ALA 16 HN ALA 16 -12.382 -4.247 -18.535 108 HA ALA 16 HA ALA 16 -12.392 -4.622 -21.392 109 HB1 ALA 16 HB1 ALA 16 -14.473 -4.960 -19.918 110 HB2 ALA 16 HB2 ALA 16 -14.739 -3.880 -21.338 111 HB3 ALA 16 HB3 ALA 16 -14.505 -3.171 -19.696 112 H ASN 17 HN ASN 17 -11.164 -2.208 -19.387 113 HA ASN 17 HA ASN 17 -11.752 -0.169 -21.431 114 HB2 ASN 17 HB2 ASN 17 -11.325 -0.032 -18.449 115 HB3 ASN 17 HB1 ASN 17 -10.491 1.244 -19.415 116 HD21 ASN 17 HD21 ASN 17 -13.702 -0.281 -18.768 117 HD22 ASN 17 HD22 ASN 17 -14.646 1.120 -19.166 118 H ASN 18 HN ASN 18 -9.493 -2.465 -20.362 119 HA ASN 18 HA ASN 18 -7.354 -2.783 -20.945 120 HB2 ASN 18 HB2 ASN 18 -8.191 -1.505 -23.197 121 HB3 ASN 18 HB1 ASN 18 -7.130 -0.203 -22.544 122 HD21 ASN 18 HD21 ASN 18 -7.259 -3.516 -23.864 123 HD22 ASN 18 HD22 ASN 18 -5.559 -3.684 -24.153 124 H ASN 19 HN ASN 19 -8.436 -0.882 -18.749 125 HA ASN 19 HA ASN 19 -6.263 1.000 -18.523 126 HB2 ASN 19 HB2 ASN 19 -8.557 0.218 -16.641 127 HB3 ASN 19 HB1 ASN 19 -7.255 1.364 -16.155 128 HD21 ASN 19 HD21 ASN 19 -10.016 2.060 -16.226 129 HD22 ASN 19 HD22 ASN 19 -10.254 3.252 -17.459 130 H CYS 20 HN CYS 20 -6.662 -2.314 -18.181 131 HA CYS 20 HA CYS 20 -5.238 -2.684 -15.752 132 HB2 CYS 20 HB2 CYS 20 -6.472 -4.382 -17.749 133 HB3 CYS 20 HB1 CYS 20 -4.748 -4.867 -17.603 134 H SER 21 HN SER 21 -4.384 -1.357 -18.760 135 HA SER 21 HA SER 21 -1.689 -2.436 -18.668 136 HB2 SER 21 HB2 SER 21 -2.941 -0.309 -20.523 137 HB3 SER 21 HB1 SER 21 -1.267 -0.979 -20.684 138 HG SER 21 HG SER 21 -3.486 -1.912 -21.696 139 H SER 22 HN SER 22 -3.452 -0.257 -16.897 140 HA SER 22 HA SER 22 -1.297 1.721 -16.858 141 HB2 SER 22 HB2 SER 22 -3.655 2.647 -16.944 142 HB3 SER 22 HB1 SER 22 -4.029 1.739 -15.424 143 HG SER 22 HG SER 22 -2.998 4.127 -15.673 144 H GLU 23 HN GLU 23 -0.153 2.164 -14.863 145 HA GLU 23 HA GLU 23 0.132 -0.176 -13.272 146 HB2 GLU 23 HB2 GLU 23 1.216 2.674 -12.883 147 HB3 GLU 23 HB1 GLU 23 1.643 1.282 -11.823 148 HG2 GLU 23 HG2 GLU 23 2.686 0.077 -13.746 149 HG3 GLU 23 HG1 GLU 23 2.208 1.423 -14.858 150 H LYS 24 HN LYS 24 -2.222 2.212 -13.419 151 HA LYS 24 HA LYS 24 -2.537 2.560 -10.632 152 HB2 LYS 24 HB2 LYS 24 -3.358 4.281 -12.299 153 HB3 LYS 24 HB1 LYS 24 -4.524 3.052 -12.913 154 HG2 LYS 24 HG2 LYS 24 -5.605 2.943 -10.696 155 HG3 LYS 24 HG1 LYS 24 -4.426 4.122 -10.043 156 HD2 LYS 24 HD2 LYS 24 -5.241 5.857 -11.613 157 HD3 LYS 24 HD1 LYS 24 -6.368 4.678 -12.366 158 HE2 LYS 24 HE2 LYS 24 -7.597 6.132 -10.765 159 HE3 LYS 24 HE1 LYS 24 -7.554 4.436 -10.127 160 HZ1 LYS 24 HZ1 LYS 24 -5.386 6.243 -9.355 161 HZ2 LYS 24 HZ2 LYS 24 -6.170 5.018 -8.479 162 HZ3 LYS 24 HZ3 LYS 24 -6.921 6.526 -8.689 163 H TYR 25 HN TYR 25 -3.425 0.181 -13.089 164 HA TYR 25 HA TYR 25 -5.171 -1.007 -11.055 165 HB2 TYR 25 HB2 TYR 25 -5.395 -1.102 -14.095 166 HB3 TYR 25 HB1 TYR 25 -6.329 -2.182 -12.983 167 HD1 TYR 25 HD1 TYR 25 -5.764 1.318 -14.029 168 HD2 TYR 25 HD2 TYR 25 -8.172 -1.378 -11.812 169 HE1 TYR 25 HE1 TYR 25 -7.473 3.047 -13.765 170 HE2 TYR 25 HE2 TYR 25 -9.872 0.350 -11.552 171 HH TYR 25 HH TYR 25 -9.474 3.395 -11.792 172 H LYS 26 HN LYS 26 -2.161 -1.196 -12.597 173 HA LYS 26 HA LYS 26 -2.196 -4.058 -12.944 174 HB2 LYS 26 HB2 LYS 26 0.038 -1.964 -12.943 175 HB3 LYS 26 HB1 LYS 26 0.419 -3.717 -12.923 176 HG2 LYS 26 HG2 LYS 26 -0.880 -4.026 -15.038 177 HG3 LYS 26 HG1 LYS 26 -1.248 -2.269 -15.065 178 HD2 LYS 26 HD2 LYS 26 1.157 -1.728 -15.267 179 HD3 LYS 26 HD1 LYS 26 1.592 -3.464 -15.110 180 HE2 LYS 26 HE2 LYS 26 0.386 -3.965 -17.254 181 HE3 LYS 26 HE1 LYS 26 -0.059 -2.218 -17.406 182 HZ1 LYS 26 HZ1 LYS 26 1.899 -1.809 -18.257 183 HZ2 LYS 26 HZ2 LYS 26 2.247 -3.470 -18.255 184 HZ3 LYS 26 HZ3 LYS 26 2.716 -2.503 -16.942 185 H THR 27 HN THR 27 -2.320 -1.992 -10.280 186 HA THR 27 HA THR 27 -1.030 -4.058 -8.657 187 HB THR 27 HB THR 27 0.329 -1.944 -8.631 188 HG1 THR 27 HG1 THR 27 -1.129 -2.606 -6.293 189 HG21 THR 27 HG21 THR 27 -1.915 -0.577 -7.144 190 HG22 THR 27 HG22 THR 27 -2.026 -0.655 -8.942 191 HG23 THR 27 HG23 THR 27 -0.603 0.128 -8.158 192 H ASN 28 HN ASN 28 -3.904 -3.244 -9.700 193 HA ASN 28 HA ASN 28 -5.053 -3.459 -7.020 194 HB2 ASN 28 HB2 ASN 28 -5.865 -1.528 -9.248 195 HB3 ASN 28 HB1 ASN 28 -7.061 -2.096 -8.032 196 HD21 ASN 28 HD21 ASN 28 -3.832 -0.484 -8.381 197 HD22 ASN 28 HD22 ASN 28 -3.965 0.474 -6.940 198 H CYS 29 HN CYS 29 -5.146 -3.997 -10.565 199 HA CYS 29 HA CYS 29 -7.037 -6.177 -9.995 200 HB2 CYS 29 HB2 CYS 29 -6.981 -4.340 -12.463 201 HB3 CYS 29 HB1 CYS 29 -7.920 -5.867 -12.364 202 H ALA 30 HN ALA 30 -4.244 -6.412 -9.835 203 HA ALA 30 HA ALA 30 -3.060 -6.987 -12.304 204 HB1 ALA 30 HB1 ALA 30 -1.224 -7.329 -10.977 205 HB2 ALA 30 HB2 ALA 30 -2.012 -8.790 -10.276 206 HB3 ALA 30 HB3 ALA 30 -2.284 -7.171 -9.530 207 H LYS 31 HN LYS 31 -5.094 -8.912 -10.054 208 HA LYS 31 HA LYS 31 -4.568 -11.397 -11.215 209 HB2 LYS 31 HB2 LYS 31 -5.865 -11.064 -9.049 210 HB3 LYS 31 HB1 LYS 31 -7.231 -10.437 -10.037 211 HG2 LYS 31 HG2 LYS 31 -7.366 -12.623 -11.240 212 HG3 LYS 31 HG1 LYS 31 -6.010 -13.250 -10.242 213 HD2 LYS 31 HD2 LYS 31 -7.375 -12.906 -8.176 214 HD3 LYS 31 HD1 LYS 31 -8.731 -12.278 -9.175 215 HE2 LYS 31 HE2 LYS 31 -8.907 -14.495 -10.340 216 HE3 LYS 31 HE1 LYS 31 -7.530 -15.129 -9.345 217 HZ1 LYS 31 HZ1 LYS 31 -9.256 -15.792 -8.107 218 HZ2 LYS 31 HZ2 LYS 31 -10.293 -14.538 -8.595 219 HZ3 LYS 31 HZ3 LYS 31 -9.090 -14.243 -7.433 220 H THR 32 HN THR 32 -6.976 -8.813 -12.008 221 HA THR 32 HA THR 32 -8.134 -10.391 -14.102 222 HB THR 32 HB THR 32 -8.262 -7.371 -13.613 223 HG1 THR 32 HG1 THR 32 -10.079 -9.479 -13.046 224 HG21 THR 32 HG21 THR 32 -10.220 -7.431 -15.173 225 HG22 THR 32 HG22 THR 32 -9.977 -9.209 -15.419 226 HG23 THR 32 HG23 THR 32 -8.734 -8.044 -16.002 227 H CYS 33 HN CYS 33 -5.511 -7.981 -13.752 228 HA CYS 33 HA CYS 33 -5.230 -7.411 -16.473 229 HB2 CYS 33 HB2 CYS 33 -3.104 -7.590 -14.266 230 HB3 CYS 33 HB1 CYS 33 -2.776 -6.966 -15.915 231 H GLY 34 HN GLY 34 -3.940 -10.099 -14.391 232 HA2 GLY 34 HA2 GLY 34 -3.908 -12.228 -15.595 233 HA3 GLY 34 HA1 GLY 34 -3.057 -11.329 -16.928 234 H GLU 35 HN GLU 35 -2.201 -10.019 -13.918 235 HA GLU 35 HA GLU 35 0.436 -11.003 -14.193 236 HB2 GLU 35 HB2 GLU 35 -0.964 -9.639 -11.818 237 HB3 GLU 35 HB1 GLU 35 0.790 -10.031 -11.852 238 HG2 GLU 35 HG2 GLU 35 -0.663 -8.144 -13.831 239 HG3 GLU 35 HG1 GLU 35 0.404 -7.640 -12.460 240 H CYS 36 HN CYS 36 -2.454 -11.893 -12.252 241 HA CYS 36 HA CYS 36 -1.015 -13.777 -10.674 242 HB2 CYS 36 HB2 CYS 36 -3.257 -12.848 -9.941 243 HB3 CYS 36 HB1 CYS 36 -4.013 -13.669 -11.349 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 1.440 -12.664 -6.190 2 H2 ALA 1 HT2 ALA 1 2.265 -12.119 -7.573 3 H3 ALA 1 HT3 ALA 1 0.806 -12.974 -7.736 4 HA ALA 1 HA ALA 1 0.497 -10.707 -6.073 5 HB1 ALA 1 HB1 ALA 1 0.756 -8.956 -7.834 6 HB2 ALA 1 HB2 ALA 1 1.320 -10.219 -8.991 7 HB3 ALA 1 HB3 ALA 1 2.328 -9.796 -7.557 8 H CYS 2 HN CYS 2 -0.950 -13.123 -6.954 9 HA CYS 2 HA CYS 2 -2.869 -12.043 -8.844 10 HB2 CYS 2 HB2 CYS 2 -2.532 -14.768 -7.477 11 HB3 CYS 2 HB1 CYS 2 -4.059 -14.328 -8.318 12 H LYS 3 HN LYS 3 -3.932 -10.363 -7.720 13 HA LYS 3 HA LYS 3 -5.829 -11.302 -5.813 14 HB2 LYS 3 HB2 LYS 3 -5.241 -9.725 -3.985 15 HB3 LYS 3 HB1 LYS 3 -3.894 -10.887 -4.256 16 HG2 LYS 3 HG2 LYS 3 -2.719 -9.177 -5.677 17 HG3 LYS 3 HG1 LYS 3 -4.046 -8.010 -5.346 18 HD2 LYS 3 HD2 LYS 3 -3.546 -8.142 -2.899 19 HD3 LYS 3 HD1 LYS 3 -2.221 -9.309 -3.231 20 HE2 LYS 3 HE2 LYS 3 -1.017 -7.570 -4.582 21 HE3 LYS 3 HE1 LYS 3 -2.357 -6.392 -4.256 22 HZ1 LYS 3 HZ1 LYS 3 -0.623 -7.707 -2.225 23 HZ2 LYS 3 HZ2 LYS 3 -1.894 -6.628 -1.901 24 HZ3 LYS 3 HZ3 LYS 3 -0.526 -6.098 -2.756 25 H ASP 4 HN ASP 4 -7.348 -9.396 -5.211 26 HA ASP 4 HA ASP 4 -7.097 -7.315 -7.256 27 HB2 ASP 4 HB2 ASP 4 -9.525 -9.061 -6.617 28 HB3 ASP 4 HB1 ASP 4 -9.754 -7.375 -7.206 29 H ASN 5 HN ASN 5 -7.057 -5.316 -6.282 30 HA ASN 5 HA ASN 5 -8.061 -5.245 -3.535 31 HB2 ASN 5 HB2 ASN 5 -6.434 -3.218 -5.185 32 HB3 ASN 5 HB1 ASN 5 -7.042 -2.893 -3.520 33 HD21 ASN 5 HD21 ASN 5 -4.263 -2.865 -4.342 34 HD22 ASN 5 HD22 ASN 5 -3.443 -4.119 -3.471 35 H LEU 6 HN LEU 6 -9.075 -4.797 -6.716 36 HA LEU 6 HA LEU 6 -11.055 -2.831 -5.830 37 HB2 LEU 6 HB2 LEU 6 -9.940 -3.380 -8.649 38 HB3 LEU 6 HB1 LEU 6 -11.353 -2.329 -8.319 39 HG LEU 6 HG LEU 6 -8.588 -1.858 -7.128 40 HD11 LEU 6 HD11 LEU 6 -8.053 -1.451 -9.334 41 HD12 LEU 6 HD12 LEU 6 -8.755 0.157 -8.906 42 HD13 LEU 6 HD13 LEU 6 -9.752 -1.057 -9.792 43 HD21 LEU 6 HD21 LEU 6 -9.576 0.541 -6.889 44 HD22 LEU 6 HD22 LEU 6 -10.179 -0.729 -5.758 45 HD23 LEU 6 HD23 LEU 6 -11.182 -0.232 -7.173 46 HA PRO 7 HA PRO 7 -14.089 -5.862 -6.527 47 HB2 PRO 7 HB2 PRO 7 -16.039 -4.463 -7.932 48 HB3 PRO 7 HB1 PRO 7 -15.781 -4.336 -6.138 49 HG2 PRO 7 HG2 PRO 7 -14.831 -2.514 -8.373 50 HG3 PRO 7 HG1 PRO 7 -15.470 -2.092 -6.740 51 HD2 PRO 7 HD2 PRO 7 -12.791 -2.047 -7.312 52 HD3 PRO 7 HD1 PRO 7 -13.415 -2.509 -5.678 53 H ALA 8 HN ALA 8 -15.113 -7.234 -8.091 54 HA ALA 8 HA ALA 8 -13.485 -7.574 -10.343 55 HB1 ALA 8 HB1 ALA 8 -14.888 -9.418 -9.155 56 HB2 ALA 8 HB2 ALA 8 -14.918 -9.428 -10.960 57 HB3 ALA 8 HB3 ALA 8 -16.303 -8.727 -10.036 58 H ALA 9 HN ALA 9 -16.644 -5.986 -9.767 59 HA ALA 9 HA ALA 9 -17.342 -5.757 -12.466 60 HB1 ALA 9 HB1 ALA 9 -17.963 -3.879 -10.114 61 HB2 ALA 9 HB2 ALA 9 -19.029 -5.186 -10.753 62 HB3 ALA 9 HB3 ALA 9 -18.704 -3.718 -11.751 63 H THR 10 HN THR 10 -15.276 -3.693 -10.314 64 HA THR 10 HA THR 10 -14.969 -1.720 -12.367 65 HB THR 10 HB THR 10 -13.315 -2.271 -9.861 66 HG1 THR 10 HG1 THR 10 -14.728 0.052 -10.153 67 HG21 THR 10 HG21 THR 10 -11.834 -1.172 -11.398 68 HG22 THR 10 HG22 THR 10 -12.519 0.161 -10.392 69 HG23 THR 10 HG23 THR 10 -13.151 -0.130 -12.057 70 H CYS 11 HN CYS 11 -12.993 -4.477 -11.092 71 HA CYS 11 HA CYS 11 -10.809 -3.979 -12.781 72 HB2 CYS 11 HB2 CYS 11 -11.871 -6.622 -11.640 73 HB3 CYS 11 HB1 CYS 11 -10.330 -6.476 -12.544 74 H SER 12 HN SER 12 -13.923 -5.629 -13.295 75 HA SER 12 HA SER 12 -13.204 -6.889 -15.701 76 HB2 SER 12 HB2 SER 12 -15.942 -5.865 -14.758 77 HB3 SER 12 HB1 SER 12 -15.685 -6.883 -16.233 78 HG SER 12 HG SER 12 -15.113 -7.530 -13.526 79 H ASN 13 HN ASN 13 -14.553 -3.673 -14.881 80 HA ASN 13 HA ASN 13 -14.813 -2.937 -17.610 81 HB2 ASN 13 HB2 ASN 13 -14.656 -1.304 -15.023 82 HB3 ASN 13 HB1 ASN 13 -14.800 -0.530 -16.640 83 HD21 ASN 13 HD21 ASN 13 -16.729 -0.196 -14.566 84 HD22 ASN 13 HD22 ASN 13 -18.214 -0.931 -15.065 85 H VAL 14 HN VAL 14 -12.278 -2.795 -15.116 86 HA VAL 14 HA VAL 14 -10.550 -1.051 -16.487 87 HB VAL 14 HB VAL 14 -10.046 -3.339 -14.544 88 HG11 VAL 14 HG11 VAL 14 -7.748 -3.005 -14.721 89 HG12 VAL 14 HG12 VAL 14 -7.922 -1.233 -14.982 90 HG13 VAL 14 HG13 VAL 14 -8.146 -2.366 -16.355 91 HG21 VAL 14 HG21 VAL 14 -9.657 -0.383 -13.992 92 HG22 VAL 14 HG22 VAL 14 -10.157 -1.712 -12.883 93 HG23 VAL 14 HG23 VAL 14 -11.333 -1.029 -14.064 94 H LYS 15 HN LYS 15 -10.952 -4.615 -16.441 95 HA LYS 15 HA LYS 15 -8.851 -5.006 -18.278 96 HB2 LYS 15 HB2 LYS 15 -9.377 -6.970 -17.083 97 HB3 LYS 15 HB1 LYS 15 -11.152 -6.658 -17.195 98 HG2 LYS 15 HG2 LYS 15 -9.790 -7.065 -19.831 99 HG3 LYS 15 HG1 LYS 15 -9.722 -8.484 -18.734 100 HD2 LYS 15 HD2 LYS 15 -12.268 -8.174 -18.396 101 HD3 LYS 15 HD1 LYS 15 -12.211 -6.997 -19.757 102 HE2 LYS 15 HE2 LYS 15 -11.289 -8.789 -21.264 103 HE3 LYS 15 HE1 LYS 15 -11.359 -9.973 -19.891 104 HZ1 LYS 15 HZ1 LYS 15 -13.408 -10.354 -20.514 105 HZ2 LYS 15 HZ2 LYS 15 -13.412 -9.079 -21.635 106 HZ3 LYS 15 HZ3 LYS 15 -13.844 -8.791 -20.018 107 H ALA 16 HN ALA 16 -12.393 -4.452 -18.487 108 HA ALA 16 HA ALA 16 -12.413 -5.021 -21.318 109 HB1 ALA 16 HB1 ALA 16 -14.739 -4.210 -21.313 110 HB2 ALA 16 HB2 ALA 16 -14.491 -3.436 -19.704 111 HB3 ALA 16 HB3 ALA 16 -14.502 -5.233 -19.849 112 H ASN 17 HN ASN 17 -11.046 -2.556 -19.516 113 HA ASN 17 HA ASN 17 -11.577 -0.652 -21.711 114 HB2 ASN 17 HB2 ASN 17 -11.248 -0.237 -18.722 115 HB3 ASN 17 HB1 ASN 17 -10.494 0.986 -19.811 116 HD21 ASN 17 HD21 ASN 17 -13.544 -0.446 -18.660 117 HD22 ASN 17 HD22 ASN 17 -14.597 0.762 -19.327 118 H ASN 18 HN ASN 18 -9.426 -2.898 -20.445 119 HA ASN 18 HA ASN 18 -7.233 -3.216 -20.755 120 HB2 ASN 18 HB2 ASN 18 -7.388 -0.928 -22.812 121 HB3 ASN 18 HB1 ASN 18 -6.031 -2.098 -22.644 122 HD21 ASN 18 HD21 ASN 18 -8.460 -1.373 -24.664 123 HD22 ASN 18 HD22 ASN 18 -8.947 -2.946 -25.203 124 H ASN 19 HN ASN 19 -8.244 -1.360 -18.684 125 HA ASN 19 HA ASN 19 -6.346 0.818 -18.708 126 HB2 ASN 19 HB2 ASN 19 -8.350 -0.183 -16.614 127 HB3 ASN 19 HB1 ASN 19 -7.185 1.142 -16.272 128 HD21 ASN 19 HD21 ASN 19 -10.023 1.442 -16.144 129 HD22 ASN 19 HD22 ASN 19 -10.513 2.548 -17.384 130 H CYS 20 HN CYS 20 -6.110 -2.458 -18.355 131 HA CYS 20 HA CYS 20 -4.639 -2.726 -15.978 132 HB2 CYS 20 HB2 CYS 20 -4.678 -4.285 -18.604 133 HB3 CYS 20 HB1 CYS 20 -3.477 -4.676 -17.325 134 H SER 21 HN SER 21 -3.938 -1.182 -19.042 135 HA SER 21 HA SER 21 -1.119 -1.524 -18.890 136 HB2 SER 21 HB2 SER 21 -0.979 0.337 -20.566 137 HB3 SER 21 HB1 SER 21 -2.250 -0.850 -21.062 138 HG SER 21 HG SER 21 -3.737 0.564 -20.677 139 H SER 22 HN SER 22 -3.448 0.244 -17.042 140 HA SER 22 HA SER 22 -1.512 2.318 -16.390 141 HB2 SER 22 HB2 SER 22 -3.962 2.972 -16.574 142 HB3 SER 22 HB1 SER 22 -4.324 1.810 -15.234 143 HG SER 22 HG SER 22 -3.632 4.296 -15.026 144 H GLU 23 HN GLU 23 -0.542 2.491 -14.288 145 HA GLU 23 HA GLU 23 -0.263 -0.067 -13.027 146 HB2 GLU 23 HB2 GLU 23 0.765 2.721 -12.223 147 HB3 GLU 23 HB1 GLU 23 1.156 1.205 -11.332 148 HG2 GLU 23 HG2 GLU 23 2.311 0.267 -13.338 149 HG3 GLU 23 HG1 GLU 23 1.866 1.739 -14.293 150 H LYS 24 HN LYS 24 -2.698 2.190 -13.058 151 HA LYS 24 HA LYS 24 -3.161 2.298 -10.271 152 HB2 LYS 24 HB2 LYS 24 -3.996 4.105 -11.834 153 HB3 LYS 24 HB1 LYS 24 -5.058 2.870 -12.603 154 HG2 LYS 24 HG2 LYS 24 -6.232 2.521 -10.454 155 HG3 LYS 24 HG1 LYS 24 -5.162 3.719 -9.660 156 HD2 LYS 24 HD2 LYS 24 -6.004 5.498 -11.199 157 HD3 LYS 24 HD1 LYS 24 -7.067 4.297 -12.009 158 HE2 LYS 24 HE2 LYS 24 -8.312 3.937 -9.858 159 HE3 LYS 24 HE1 LYS 24 -7.233 5.137 -9.033 160 HZ1 LYS 24 HZ1 LYS 24 -8.893 5.743 -11.425 161 HZ2 LYS 24 HZ2 LYS 24 -8.033 6.833 -10.447 162 HZ3 LYS 24 HZ3 LYS 24 -9.382 6.011 -9.822 163 H TYR 25 HN TYR 25 -3.685 0.051 -12.891 164 HA TYR 25 HA TYR 25 -5.403 -1.448 -11.056 165 HB2 TYR 25 HB2 TYR 25 -5.685 -1.259 -14.094 166 HB3 TYR 25 HB1 TYR 25 -6.634 -2.365 -13.018 167 HD1 TYR 25 HD1 TYR 25 -6.164 1.055 -14.195 168 HD2 TYR 25 HD2 TYR 25 -8.278 -1.463 -11.523 169 HE1 TYR 25 HE1 TYR 25 -7.836 2.802 -13.855 170 HE2 TYR 25 HE2 TYR 25 -9.939 0.286 -11.193 171 HH TYR 25 HH TYR 25 -9.725 3.138 -11.506 172 H LYS 26 HN LYS 26 -2.468 -1.206 -12.698 173 HA LYS 26 HA LYS 26 -2.313 -3.915 -13.568 174 HB2 LYS 26 HB2 LYS 26 -0.802 -1.761 -14.201 175 HB3 LYS 26 HB1 LYS 26 0.160 -2.342 -12.799 176 HG2 LYS 26 HG2 LYS 26 0.528 -4.507 -13.845 177 HG3 LYS 26 HG1 LYS 26 -0.633 -4.129 -15.165 178 HD2 LYS 26 HD2 LYS 26 0.896 -2.161 -15.794 179 HD3 LYS 26 HD1 LYS 26 2.095 -2.816 -14.627 180 HE2 LYS 26 HE2 LYS 26 2.167 -4.977 -15.912 181 HE3 LYS 26 HE1 LYS 26 0.961 -4.309 -17.092 182 HZ1 LYS 26 HZ1 LYS 26 2.926 -2.411 -16.911 183 HZ2 LYS 26 HZ2 LYS 26 2.695 -3.534 -18.162 184 HZ3 LYS 26 HZ3 LYS 26 3.774 -3.881 -16.898 185 H THR 27 HN THR 27 -2.119 -2.235 -10.489 186 HA THR 27 HA THR 27 -0.969 -4.690 -9.360 187 HB THR 27 HB THR 27 0.499 -2.578 -9.140 188 HG1 THR 27 HG1 THR 27 -0.522 -3.968 -6.894 189 HG21 THR 27 HG21 THR 27 -1.607 -1.137 -8.748 190 HG22 THR 27 HG22 THR 27 -0.224 -0.854 -7.626 191 HG23 THR 27 HG23 THR 27 -1.643 -1.825 -7.082 192 H ASN 28 HN ASN 28 -3.805 -3.058 -9.858 193 HA ASN 28 HA ASN 28 -4.722 -3.689 -7.133 194 HB2 ASN 28 HB2 ASN 28 -5.769 -1.668 -9.184 195 HB3 ASN 28 HB1 ASN 28 -6.756 -2.216 -7.784 196 HD21 ASN 28 HD21 ASN 28 -3.477 -0.845 -8.581 197 HD22 ASN 28 HD22 ASN 28 -3.369 0.153 -7.165 198 H CYS 29 HN CYS 29 -5.037 -4.211 -10.630 199 HA CYS 29 HA CYS 29 -7.075 -6.226 -9.967 200 HB2 CYS 29 HB2 CYS 29 -6.912 -4.471 -12.491 201 HB3 CYS 29 HB1 CYS 29 -7.965 -5.918 -12.337 202 H ALA 30 HN ALA 30 -4.303 -6.658 -9.836 203 HA ALA 30 HA ALA 30 -3.218 -7.408 -12.304 204 HB1 ALA 30 HB1 ALA 30 -2.629 -8.287 -9.436 205 HB2 ALA 30 HB2 ALA 30 -1.626 -7.229 -10.499 206 HB3 ALA 30 HB3 ALA 30 -1.747 -8.997 -10.839 207 H LYS 31 HN LYS 31 -5.264 -9.145 -9.892 208 HA LYS 31 HA LYS 31 -4.915 -11.686 -11.031 209 HB2 LYS 31 HB2 LYS 31 -6.047 -11.276 -8.795 210 HB3 LYS 31 HB1 LYS 31 -7.442 -10.587 -9.689 211 HG2 LYS 31 HG2 LYS 31 -7.772 -12.766 -10.861 212 HG3 LYS 31 HG1 LYS 31 -6.387 -13.458 -9.947 213 HD2 LYS 31 HD2 LYS 31 -7.580 -13.083 -7.807 214 HD3 LYS 31 HD1 LYS 31 -8.945 -12.303 -8.678 215 HE2 LYS 31 HE2 LYS 31 -9.521 -14.658 -8.123 216 HE3 LYS 31 HE1 LYS 31 -9.353 -14.487 -9.921 217 HZ1 LYS 31 HZ1 LYS 31 -7.588 -15.802 -9.932 218 HZ2 LYS 31 HZ2 LYS 31 -8.142 -16.338 -8.418 219 HZ3 LYS 31 HZ3 LYS 31 -6.918 -15.165 -8.509 220 H THR 32 HN THR 32 -7.293 -9.025 -11.711 221 HA THR 32 HA THR 32 -8.667 -10.591 -13.672 222 HB THR 32 HB THR 32 -8.561 -7.550 -13.328 223 HG1 THR 32 HG1 THR 32 -9.856 -9.591 -12.056 224 HG21 THR 32 HG21 THR 32 -9.254 -8.400 -15.646 225 HG22 THR 32 HG22 THR 32 -10.558 -7.498 -14.780 226 HG23 THR 32 HG23 THR 32 -10.599 -9.305 -14.855 227 H CYS 33 HN CYS 33 -5.985 -8.205 -13.645 228 HA CYS 33 HA CYS 33 -5.853 -7.923 -16.427 229 HB2 CYS 33 HB2 CYS 33 -3.654 -7.774 -14.289 230 HB3 CYS 33 HB1 CYS 33 -3.396 -7.345 -16.014 231 H GLY 34 HN GLY 34 -4.465 -10.346 -14.116 232 HA2 GLY 34 HA2 GLY 34 -4.233 -12.570 -14.880 233 HA3 GLY 34 HA1 GLY 34 -3.797 -11.915 -16.521 234 H GLU 35 HN GLU 35 -2.532 -10.001 -13.985 235 HA GLU 35 HA GLU 35 0.092 -11.036 -14.621 236 HB2 GLU 35 HB2 GLU 35 -0.849 -8.679 -12.892 237 HB3 GLU 35 HB1 GLU 35 0.877 -9.172 -13.024 238 HG2 GLU 35 HG2 GLU 35 -0.916 -8.270 -15.374 239 HG3 GLU 35 HG1 GLU 35 0.372 -7.292 -14.574 240 H CYS 36 HN CYS 36 1.627 -11.670 -12.893 241 HA CYS 36 HA CYS 36 0.653 -12.072 -10.277 242 HB2 CYS 36 HB2 CYS 36 -0.340 -14.065 -11.964 243 HB3 CYS 36 HB1 CYS 36 1.246 -14.759 -11.477 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -0.597 -15.502 -5.152 2 H2 ALA 1 HT2 ALA 1 0.976 -15.713 -5.760 3 H3 ALA 1 HT3 ALA 1 -0.332 -15.542 -6.831 4 HA ALA 1 HA ALA 1 0.216 -13.424 -4.905 5 HB1 ALA 1 HB1 ALA 1 1.768 -12.309 -6.537 6 HB2 ALA 1 HB2 ALA 1 1.652 -13.763 -7.599 7 HB3 ALA 1 HB3 ALA 1 2.437 -13.889 -5.981 8 H CYS 2 HN CYS 2 -2.178 -14.605 -6.328 9 HA CYS 2 HA CYS 2 -2.720 -12.374 -8.147 10 HB2 CYS 2 HB2 CYS 2 -3.756 -15.210 -7.927 11 HB3 CYS 2 HB1 CYS 2 -4.946 -13.948 -8.393 12 H LYS 3 HN LYS 3 -3.880 -10.691 -7.304 13 HA LYS 3 HA LYS 3 -6.038 -11.316 -5.525 14 HB2 LYS 3 HB2 LYS 3 -5.326 -9.806 -3.689 15 HB3 LYS 3 HB1 LYS 3 -4.132 -11.138 -3.880 16 HG2 LYS 3 HG2 LYS 3 -2.673 -9.624 -5.256 17 HG3 LYS 3 HG1 LYS 3 -3.852 -8.288 -5.016 18 HD2 LYS 3 HD2 LYS 3 -3.499 -8.423 -2.543 19 HD3 LYS 3 HD1 LYS 3 -2.323 -9.761 -2.782 20 HE2 LYS 3 HE2 LYS 3 -0.833 -8.222 -4.097 21 HE3 LYS 3 HE1 LYS 3 -2.023 -6.874 -3.861 22 HZ1 LYS 3 HZ1 LYS 3 -0.221 -6.813 -2.275 23 HZ2 LYS 3 HZ2 LYS 3 -0.612 -8.363 -1.702 24 HZ3 LYS 3 HZ3 LYS 3 -1.704 -7.079 -1.493 25 H ASP 4 HN ASP 4 -7.383 -9.288 -5.139 26 HA ASP 4 HA ASP 4 -6.660 -7.212 -7.068 27 HB2 ASP 4 HB2 ASP 4 -9.319 -8.718 -6.859 28 HB3 ASP 4 HB1 ASP 4 -9.273 -7.019 -7.449 29 H ASN 5 HN ASN 5 -6.930 -5.131 -6.234 30 HA ASN 5 HA ASN 5 -7.999 -5.086 -3.514 31 HB2 ASN 5 HB2 ASN 5 -6.501 -2.966 -5.172 32 HB3 ASN 5 HB1 ASN 5 -7.157 -2.666 -3.520 33 HD21 ASN 5 HD21 ASN 5 -4.360 -2.481 -4.373 34 HD22 ASN 5 HD22 ASN 5 -3.466 -3.643 -3.447 35 H LEU 6 HN LEU 6 -8.948 -4.688 -6.752 36 HA LEU 6 HA LEU 6 -11.088 -2.875 -5.916 37 HB2 LEU 6 HB2 LEU 6 -9.924 -3.419 -8.718 38 HB3 LEU 6 HB1 LEU 6 -11.401 -2.447 -8.416 39 HG LEU 6 HG LEU 6 -8.676 -1.780 -7.222 40 HD11 LEU 6 HD11 LEU 6 -8.972 0.172 -9.076 41 HD12 LEU 6 HD12 LEU 6 -9.837 -1.160 -9.934 42 HD13 LEU 6 HD13 LEU 6 -8.119 -1.382 -9.420 43 HD21 LEU 6 HD21 LEU 6 -9.823 0.568 -7.090 44 HD22 LEU 6 HD22 LEU 6 -10.328 -0.694 -5.903 45 HD23 LEU 6 HD23 LEU 6 -11.370 -0.330 -7.331 46 HA PRO 7 HA PRO 7 -13.888 -6.132 -6.563 47 HB2 PRO 7 HB2 PRO 7 -15.960 -4.875 -7.917 48 HB3 PRO 7 HB1 PRO 7 -15.669 -4.719 -6.132 49 HG2 PRO 7 HG2 PRO 7 -14.906 -2.848 -8.395 50 HG3 PRO 7 HG1 PRO 7 -15.533 -2.462 -6.749 51 HD2 PRO 7 HD2 PRO 7 -12.873 -2.239 -7.395 52 HD3 PRO 7 HD1 PRO 7 -13.426 -2.714 -5.739 53 H ALA 8 HN ALA 8 -14.878 -7.545 -8.134 54 HA ALA 8 HA ALA 8 -13.254 -7.784 -10.403 55 HB1 ALA 8 HB1 ALA 8 -14.682 -9.663 -11.070 56 HB2 ALA 8 HB2 ALA 8 -16.005 -9.075 -9.993 57 HB3 ALA 8 HB3 ALA 8 -14.485 -9.737 -9.278 58 H ALA 9 HN ALA 9 -16.483 -6.362 -9.785 59 HA ALA 9 HA ALA 9 -17.205 -6.131 -12.478 60 HB1 ALA 9 HB1 ALA 9 -18.650 -4.150 -11.707 61 HB2 ALA 9 HB2 ALA 9 -17.922 -4.364 -10.069 62 HB3 ALA 9 HB3 ALA 9 -18.930 -5.677 -10.787 63 H THR 10 HN THR 10 -15.229 -4.013 -10.302 64 HA THR 10 HA THR 10 -15.042 -1.982 -12.311 65 HB THR 10 HB THR 10 -13.383 -2.505 -9.805 66 HG1 THR 10 HG1 THR 10 -14.885 -0.223 -10.165 67 HG21 THR 10 HG21 THR 10 -12.642 -0.045 -10.316 68 HG22 THR 10 HG22 THR 10 -13.221 -0.361 -11.996 69 HG23 THR 10 HG23 THR 10 -11.893 -1.363 -11.294 70 H CYS 11 HN CYS 11 -12.906 -4.651 -11.102 71 HA CYS 11 HA CYS 11 -10.768 -3.999 -12.795 72 HB2 CYS 11 HB2 CYS 11 -11.668 -6.717 -11.693 73 HB3 CYS 11 HB1 CYS 11 -10.148 -6.469 -12.612 74 H SER 12 HN SER 12 -13.772 -5.855 -13.311 75 HA SER 12 HA SER 12 -12.977 -6.970 -15.770 76 HB2 SER 12 HB2 SER 12 -15.789 -6.260 -14.753 77 HB3 SER 12 HB1 SER 12 -15.460 -7.194 -16.265 78 HG SER 12 HG SER 12 -14.809 -7.869 -13.585 79 H ASN 13 HN ASN 13 -14.512 -3.887 -14.786 80 HA ASN 13 HA ASN 13 -14.945 -3.065 -17.475 81 HB2 ASN 13 HB2 ASN 13 -16.017 -2.061 -15.266 82 HB3 ASN 13 HB1 ASN 13 -14.482 -1.130 -15.155 83 HD21 ASN 13 HD21 ASN 13 -15.342 0.918 -15.532 84 HD22 ASN 13 HD22 ASN 13 -16.057 1.396 -17.032 85 H VAL 14 HN VAL 14 -12.324 -2.861 -15.074 86 HA VAL 14 HA VAL 14 -10.744 -0.985 -16.446 87 HB VAL 14 HB VAL 14 -10.045 -3.290 -14.580 88 HG11 VAL 14 HG11 VAL 14 -8.222 -2.359 -16.365 89 HG12 VAL 14 HG12 VAL 14 -7.764 -2.647 -14.652 90 HG13 VAL 14 HG13 VAL 14 -8.131 -0.978 -15.214 91 HG21 VAL 14 HG21 VAL 14 -10.143 -1.687 -12.869 92 HG22 VAL 14 HG22 VAL 14 -11.473 -1.135 -13.953 93 HG23 VAL 14 HG23 VAL 14 -9.878 -0.307 -13.994 94 H LYS 15 HN LYS 15 -10.959 -4.561 -16.489 95 HA LYS 15 HA LYS 15 -8.895 -4.798 -18.392 96 HB2 LYS 15 HB2 LYS 15 -9.267 -6.835 -17.281 97 HB3 LYS 15 HB1 LYS 15 -11.054 -6.588 -17.249 98 HG2 LYS 15 HG2 LYS 15 -9.868 -6.867 -19.989 99 HG3 LYS 15 HG1 LYS 15 -9.693 -8.317 -18.945 100 HD2 LYS 15 HD2 LYS 15 -12.221 -8.071 -18.429 101 HD3 LYS 15 HD1 LYS 15 -12.276 -6.868 -19.766 102 HE2 LYS 15 HE2 LYS 15 -11.427 -8.606 -21.368 103 HE3 LYS 15 HE1 LYS 15 -11.361 -9.816 -20.020 104 HZ1 LYS 15 HZ1 LYS 15 -13.852 -8.944 -19.791 105 HZ2 LYS 15 HZ2 LYS 15 -13.395 -10.251 -20.773 106 HZ3 LYS 15 HZ3 LYS 15 -13.638 -8.717 -21.459 107 H ALA 16 HN ALA 16 -12.459 -4.376 -18.479 108 HA ALA 16 HA ALA 16 -12.548 -4.873 -21.322 109 HB1 ALA 16 HB1 ALA 16 -14.584 -5.185 -19.794 110 HB2 ALA 16 HB2 ALA 16 -14.897 -4.135 -21.227 111 HB3 ALA 16 HB3 ALA 16 -14.623 -3.392 -19.607 112 H ASN 17 HN ASN 17 -11.209 -2.418 -19.480 113 HA ASN 17 HA ASN 17 -11.878 -0.451 -21.576 114 HB2 ASN 17 HB2 ASN 17 -11.439 -0.173 -18.603 115 HB3 ASN 17 HB1 ASN 17 -10.647 1.075 -19.635 116 HD21 ASN 17 HD21 ASN 17 -13.815 -0.509 -18.921 117 HD22 ASN 17 HD22 ASN 17 -14.796 0.855 -19.361 118 H ASN 18 HN ASN 18 -9.619 -2.707 -20.519 119 HA ASN 18 HA ASN 18 -7.459 -3.000 -21.024 120 HB2 ASN 18 HB2 ASN 18 -7.737 -0.573 -22.899 121 HB3 ASN 18 HB1 ASN 18 -6.379 -1.753 -22.900 122 HD21 ASN 18 HD21 ASN 18 -8.953 -0.880 -24.685 123 HD22 ASN 18 HD22 ASN 18 -9.471 -2.410 -25.311 124 H ASN 19 HN ASN 19 -8.466 -1.119 -18.860 125 HA ASN 19 HA ASN 19 -6.410 0.915 -18.824 126 HB2 ASN 19 HB2 ASN 19 -8.540 0.061 -16.785 127 HB3 ASN 19 HB1 ASN 19 -7.289 1.301 -16.415 128 HD21 ASN 19 HD21 ASN 19 -10.095 1.815 -16.346 129 HD22 ASN 19 HD22 ASN 19 -10.478 2.949 -17.597 130 H CYS 20 HN CYS 20 -6.486 -2.374 -18.473 131 HA CYS 20 HA CYS 20 -5.034 -2.695 -16.066 132 HB2 CYS 20 HB2 CYS 20 -5.804 -4.392 -18.390 133 HB3 CYS 20 HB1 CYS 20 -4.170 -4.776 -17.745 134 H SER 21 HN SER 21 -4.263 -1.142 -19.009 135 HA SER 21 HA SER 21 -1.476 -1.929 -18.916 136 HB2 SER 21 HB2 SER 21 -2.906 0.200 -20.632 137 HB3 SER 21 HB1 SER 21 -1.170 -0.280 -20.804 138 HG SER 21 HG SER 21 -3.424 -1.466 -21.719 139 H SER 22 HN SER 22 -3.534 0.048 -17.134 140 HA SER 22 HA SER 22 -1.535 2.159 -16.863 141 HB2 SER 22 HB2 SER 22 -3.966 2.876 -16.974 142 HB3 SER 22 HB1 SER 22 -4.293 1.858 -15.512 143 HG SER 22 HG SER 22 -3.249 4.339 -15.719 144 H GLU 23 HN GLU 23 -0.523 2.601 -14.787 145 HA GLU 23 HA GLU 23 -0.112 0.179 -13.316 146 HB2 GLU 23 HB2 GLU 23 0.800 3.058 -12.711 147 HB3 GLU 23 HB1 GLU 23 1.333 1.597 -11.804 148 HG2 GLU 23 HG2 GLU 23 3.144 1.788 -13.280 149 HG3 GLU 23 HG1 GLU 23 2.056 0.765 -14.301 150 H LYS 24 HN LYS 24 -2.618 2.381 -13.445 151 HA LYS 24 HA LYS 24 -3.009 2.663 -10.661 152 HB2 LYS 24 HB2 LYS 24 -3.941 4.333 -12.320 153 HB3 LYS 24 HB1 LYS 24 -4.993 3.019 -12.965 154 HG2 LYS 24 HG2 LYS 24 -6.096 2.796 -10.769 155 HG3 LYS 24 HG1 LYS 24 -5.022 4.051 -10.080 156 HD2 LYS 24 HD2 LYS 24 -5.946 5.743 -11.645 157 HD3 LYS 24 HD1 LYS 24 -6.974 4.489 -12.420 158 HE2 LYS 24 HE2 LYS 24 -8.322 5.829 -10.815 159 HE3 LYS 24 HE1 LYS 24 -8.156 4.134 -10.193 160 HZ1 LYS 24 HZ1 LYS 24 -6.041 5.888 -9.346 161 HZ2 LYS 24 HZ2 LYS 24 -7.042 4.849 -8.450 162 HZ3 LYS 24 HZ3 LYS 24 -7.577 6.410 -8.849 163 H TYR 25 HN TYR 25 -3.669 0.281 -13.167 164 HA TYR 25 HA TYR 25 -5.263 -1.137 -11.155 165 HB2 TYR 25 HB2 TYR 25 -5.611 -1.154 -14.191 166 HB3 TYR 25 HB1 TYR 25 -6.488 -2.242 -13.040 167 HD1 TYR 25 HD1 TYR 25 -6.135 1.174 -14.318 168 HD2 TYR 25 HD2 TYR 25 -8.188 -1.375 -11.626 169 HE1 TYR 25 HE1 TYR 25 -7.867 2.872 -14.015 170 HE2 TYR 25 HE2 TYR 25 -9.909 0.324 -11.332 171 HH TYR 25 HH TYR 25 -9.657 3.337 -11.865 172 H LYS 26 HN LYS 26 -2.330 -0.962 -12.767 173 HA LYS 26 HA LYS 26 -2.148 -3.770 -13.388 174 HB2 LYS 26 HB2 LYS 26 -0.615 -1.478 -14.086 175 HB3 LYS 26 HB1 LYS 26 0.444 -2.405 -12.973 176 HG2 LYS 26 HG2 LYS 26 0.634 -4.219 -14.417 177 HG3 LYS 26 HG1 LYS 26 -0.972 -3.936 -15.173 178 HD2 LYS 26 HD2 LYS 26 -0.091 -1.998 -16.424 179 HD3 LYS 26 HD1 LYS 26 1.493 -2.130 -15.586 180 HE2 LYS 26 HE2 LYS 26 1.746 -3.141 -17.799 181 HE3 LYS 26 HE1 LYS 26 1.706 -4.506 -16.605 182 HZ1 LYS 26 HZ1 LYS 26 0.057 -4.067 -18.795 183 HZ2 LYS 26 HZ2 LYS 26 -0.919 -3.854 -17.416 184 HZ3 LYS 26 HZ3 LYS 26 -0.042 -5.296 -17.627 185 H THR 27 HN THR 27 -2.308 -1.976 -10.530 186 HA THR 27 HA THR 27 -0.797 -4.083 -9.176 187 HB THR 27 HB THR 27 0.457 -1.851 -9.154 188 HG1 THR 27 HG1 THR 27 -0.538 -3.019 -6.777 189 HG21 THR 27 HG21 THR 27 -1.752 -0.992 -7.234 190 HG22 THR 27 HG22 THR 27 -1.850 -0.622 -8.998 191 HG23 THR 27 HG23 THR 27 -0.475 0.011 -8.017 192 H ASN 28 HN ASN 28 -3.781 -2.953 -9.881 193 HA ASN 28 HA ASN 28 -4.685 -3.457 -7.131 194 HB2 ASN 28 HB2 ASN 28 -5.762 -1.496 -9.220 195 HB3 ASN 28 HB1 ASN 28 -6.808 -2.125 -7.897 196 HD21 ASN 28 HD21 ASN 28 -3.672 -0.420 -8.541 197 HD22 ASN 28 HD22 ASN 28 -3.680 0.508 -7.074 198 H CYS 29 HN CYS 29 -4.975 -3.992 -10.647 199 HA CYS 29 HA CYS 29 -6.881 -6.133 -9.982 200 HB2 CYS 29 HB2 CYS 29 -6.782 -4.415 -12.535 201 HB3 CYS 29 HB1 CYS 29 -7.777 -5.898 -12.348 202 H ALA 30 HN ALA 30 -4.147 -6.516 -9.774 203 HA ALA 30 HA ALA 30 -2.928 -7.170 -12.212 204 HB1 ALA 30 HB1 ALA 30 -2.435 -8.268 -9.388 205 HB2 ALA 30 HB2 ALA 30 -1.521 -6.939 -10.197 206 HB3 ALA 30 HB3 ALA 30 -1.382 -8.631 -10.807 207 H LYS 31 HN LYS 31 -5.074 -8.998 -9.965 208 HA LYS 31 HA LYS 31 -4.585 -11.512 -11.131 209 HB2 LYS 31 HB2 LYS 31 -5.840 -11.178 -8.943 210 HB3 LYS 31 HB1 LYS 31 -7.208 -10.511 -9.897 211 HG2 LYS 31 HG2 LYS 31 -7.422 -12.673 -11.122 212 HG3 LYS 31 HG1 LYS 31 -6.056 -13.345 -10.168 213 HD2 LYS 31 HD2 LYS 31 -7.363 -13.003 -8.063 214 HD3 LYS 31 HD1 LYS 31 -8.729 -12.331 -9.020 215 HE2 LYS 31 HE2 LYS 31 -8.982 -14.526 -10.211 216 HE3 LYS 31 HE1 LYS 31 -7.594 -15.203 -9.263 217 HZ1 LYS 31 HZ1 LYS 31 -9.716 -15.787 -8.322 218 HZ2 LYS 31 HZ2 LYS 31 -10.144 -14.154 -8.142 219 HZ3 LYS 31 HZ3 LYS 31 -8.846 -14.795 -7.254 220 H THR 32 HN THR 32 -6.987 -8.893 -11.870 221 HA THR 32 HA THR 32 -8.221 -10.446 -13.931 222 HB THR 32 HB THR 32 -8.230 -7.415 -13.502 223 HG1 THR 32 HG1 THR 32 -9.382 -9.452 -12.218 224 HG21 THR 32 HG21 THR 32 -8.789 -8.167 -15.866 225 HG22 THR 32 HG22 THR 32 -10.203 -7.419 -15.020 226 HG23 THR 32 HG23 THR 32 -10.092 -9.219 -15.193 227 H CYS 33 HN CYS 33 -5.608 -7.987 -13.711 228 HA CYS 33 HA CYS 33 -5.344 -7.626 -16.473 229 HB2 CYS 33 HB2 CYS 33 -3.233 -7.525 -14.245 230 HB3 CYS 33 HB1 CYS 33 -2.921 -7.022 -15.939 231 H GLY 34 HN GLY 34 -4.026 -10.077 -14.162 232 HA2 GLY 34 HA2 GLY 34 -3.704 -12.274 -14.934 233 HA3 GLY 34 HA1 GLY 34 -3.260 -11.599 -16.563 234 H GLU 35 HN GLU 35 -1.955 -9.439 -14.467 235 HA GLU 35 HA GLU 35 0.656 -10.390 -14.928 236 HB2 GLU 35 HB2 GLU 35 -0.393 -8.292 -12.934 237 HB3 GLU 35 HB1 GLU 35 1.355 -8.630 -13.199 238 HG2 GLU 35 HG2 GLU 35 -0.624 -7.618 -15.357 239 HG3 GLU 35 HG1 GLU 35 0.626 -6.626 -14.504 240 H CYS 36 HN CYS 36 -1.667 -10.524 -12.169 241 HA CYS 36 HA CYS 36 -1.607 -11.731 -10.284 242 HB2 CYS 36 HB2 CYS 36 -1.059 -13.604 -12.193 243 HB3 CYS 36 HB1 CYS 36 0.525 -13.616 -11.343 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 0.568 -13.205 -7.802 2 H2 ALA 1 HT2 ALA 1 1.080 -12.515 -6.336 3 H3 ALA 1 HT3 ALA 1 1.954 -12.222 -7.763 4 HA ALA 1 HA ALA 1 0.252 -10.507 -6.794 5 HB1 ALA 1 HB1 ALA 1 0.044 -9.539 -9.083 6 HB2 ALA 1 HB2 ALA 1 0.472 -11.142 -9.794 7 HB3 ALA 1 HB3 ALA 1 1.700 -10.214 -8.851 8 H CYS 2 HN CYS 2 -1.091 -13.158 -6.494 9 HA CYS 2 HA CYS 2 -3.439 -12.812 -8.172 10 HB2 CYS 2 HB2 CYS 2 -2.458 -14.968 -6.254 11 HB3 CYS 2 HB1 CYS 2 -4.222 -14.825 -6.566 12 H LYS 3 HN LYS 3 -3.988 -10.673 -7.252 13 HA LYS 3 HA LYS 3 -5.696 -11.044 -4.994 14 HB2 LYS 3 HB2 LYS 3 -4.735 -9.230 -3.595 15 HB3 LYS 3 HB1 LYS 3 -3.540 -10.559 -3.790 16 HG2 LYS 3 HG2 LYS 3 -2.437 -9.274 -5.654 17 HG3 LYS 3 HG1 LYS 3 -3.602 -7.930 -5.393 18 HD2 LYS 3 HD2 LYS 3 -2.771 -7.669 -3.050 19 HD3 LYS 3 HD1 LYS 3 -1.611 -9.017 -3.307 20 HE2 LYS 3 HE2 LYS 3 -0.468 -7.695 -5.111 21 HE3 LYS 3 HE1 LYS 3 -1.641 -6.335 -4.854 22 HZ1 LYS 3 HZ1 LYS 3 0.271 -7.446 -2.862 23 HZ2 LYS 3 HZ2 LYS 3 -0.869 -6.224 -2.558 24 HZ3 LYS 3 HZ3 LYS 3 0.384 -5.959 -3.674 25 H ASP 4 HN ASP 4 -7.054 -9.018 -4.664 26 HA ASP 4 HA ASP 4 -6.796 -7.210 -6.939 27 HB2 ASP 4 HB2 ASP 4 -9.241 -8.891 -6.213 28 HB3 ASP 4 HB1 ASP 4 -9.466 -7.248 -6.912 29 H ASN 5 HN ASN 5 -6.917 -5.094 -6.238 30 HA ASN 5 HA ASN 5 -7.865 -4.779 -3.481 31 HB2 ASN 5 HB2 ASN 5 -6.293 -2.898 -5.338 32 HB3 ASN 5 HB1 ASN 5 -6.893 -2.421 -3.709 33 HD21 ASN 5 HD21 ASN 5 -4.118 -2.442 -4.581 34 HD22 ASN 5 HD22 ASN 5 -3.268 -3.582 -3.590 35 H LEU 6 HN LEU 6 -8.996 -4.752 -6.617 36 HA LEU 6 HA LEU 6 -11.011 -2.764 -5.890 37 HB2 LEU 6 HB2 LEU 6 -9.823 -3.356 -8.670 38 HB3 LEU 6 HB1 LEU 6 -11.287 -2.356 -8.395 39 HG LEU 6 HG LEU 6 -8.564 -1.730 -7.179 40 HD11 LEU 6 HD11 LEU 6 -9.770 -0.937 -9.849 41 HD12 LEU 6 HD12 LEU 6 -8.091 -1.472 -9.457 42 HD13 LEU 6 HD13 LEU 6 -8.650 0.182 -8.988 43 HD21 LEU 6 HD21 LEU 6 -9.656 0.631 -7.034 44 HD22 LEU 6 HD22 LEU 6 -10.227 -0.627 -5.872 45 HD23 LEU 6 HD23 LEU 6 -11.223 -0.216 -7.321 46 HA PRO 7 HA PRO 7 -13.874 -5.962 -6.540 47 HB2 PRO 7 HB2 PRO 7 -15.898 -4.682 -7.943 48 HB3 PRO 7 HB1 PRO 7 -15.629 -4.503 -6.156 49 HG2 PRO 7 HG2 PRO 7 -14.788 -2.689 -8.440 50 HG3 PRO 7 HG1 PRO 7 -15.434 -2.260 -6.812 51 HD2 PRO 7 HD2 PRO 7 -12.762 -2.104 -7.411 52 HD3 PRO 7 HD1 PRO 7 -13.355 -2.544 -5.758 53 H ALA 8 HN ALA 8 -14.845 -7.392 -8.091 54 HA ALA 8 HA ALA 8 -13.206 -7.678 -10.342 55 HB1 ALA 8 HB1 ALA 8 -14.490 -9.587 -9.154 56 HB2 ALA 8 HB2 ALA 8 -14.585 -9.587 -10.958 57 HB3 ALA 8 HB3 ALA 8 -15.965 -8.956 -9.981 58 H ALA 9 HN ALA 9 -16.430 -6.226 -9.770 59 HA ALA 9 HA ALA 9 -17.147 -6.057 -12.470 60 HB1 ALA 9 HB1 ALA 9 -17.848 -4.205 -10.121 61 HB2 ALA 9 HB2 ALA 9 -18.862 -5.546 -10.777 62 HB3 ALA 9 HB3 ALA 9 -18.585 -4.058 -11.762 63 H THR 10 HN THR 10 -15.179 -3.869 -10.343 64 HA THR 10 HA THR 10 -14.967 -1.907 -12.415 65 HB THR 10 HB THR 10 -13.276 -2.364 -9.914 66 HG1 THR 10 HG1 THR 10 -14.787 -0.106 -10.215 67 HG21 THR 10 HG21 THR 10 -12.604 0.106 -10.477 68 HG22 THR 10 HG22 THR 10 -13.209 -0.250 -12.140 69 HG23 THR 10 HG23 THR 10 -11.844 -1.211 -11.450 70 H CYS 11 HN CYS 11 -12.869 -4.566 -11.132 71 HA CYS 11 HA CYS 11 -10.720 -3.984 -12.840 72 HB2 CYS 11 HB2 CYS 11 -11.652 -6.657 -11.660 73 HB3 CYS 11 HB1 CYS 11 -10.128 -6.453 -12.580 74 H SER 12 HN SER 12 -13.778 -5.744 -13.321 75 HA SER 12 HA SER 12 -13.022 -7.022 -15.709 76 HB2 SER 12 HB2 SER 12 -15.789 -6.068 -14.779 77 HB3 SER 12 HB1 SER 12 -15.504 -7.097 -16.240 78 HG SER 12 HG SER 12 -14.882 -7.693 -13.530 79 H ASN 13 HN ASN 13 -14.476 -3.838 -14.941 80 HA ASN 13 HA ASN 13 -14.752 -3.150 -17.681 81 HB2 ASN 13 HB2 ASN 13 -14.649 -1.473 -15.120 82 HB3 ASN 13 HB1 ASN 13 -14.819 -0.731 -16.750 83 HD21 ASN 13 HD21 ASN 13 -16.753 -0.441 -14.663 84 HD22 ASN 13 HD22 ASN 13 -18.215 -1.226 -15.155 85 H VAL 14 HN VAL 14 -12.235 -2.884 -15.183 86 HA VAL 14 HA VAL 14 -10.559 -1.113 -16.578 87 HB VAL 14 HB VAL 14 -9.985 -3.349 -14.594 88 HG11 VAL 14 HG11 VAL 14 -7.699 -2.900 -14.736 89 HG12 VAL 14 HG12 VAL 14 -7.953 -1.153 -15.085 90 HG13 VAL 14 HG13 VAL 14 -8.109 -2.362 -16.403 91 HG21 VAL 14 HG21 VAL 14 -10.177 -1.703 -12.960 92 HG22 VAL 14 HG22 VAL 14 -11.368 -1.082 -14.162 93 HG23 VAL 14 HG23 VAL 14 -9.716 -0.373 -14.081 94 H LYS 15 HN LYS 15 -10.870 -4.688 -16.482 95 HA LYS 15 HA LYS 15 -8.735 -5.057 -18.289 96 HB2 LYS 15 HB2 LYS 15 -9.229 -7.012 -17.057 97 HB3 LYS 15 HB1 LYS 15 -11.010 -6.755 -17.210 98 HG2 LYS 15 HG2 LYS 15 -9.578 -7.169 -19.810 99 HG3 LYS 15 HG1 LYS 15 -9.500 -8.567 -18.687 100 HD2 LYS 15 HD2 LYS 15 -12.066 -8.298 -18.413 101 HD3 LYS 15 HD1 LYS 15 -11.995 -7.168 -19.812 102 HE2 LYS 15 HE2 LYS 15 -10.934 -10.073 -19.894 103 HE3 LYS 15 HE1 LYS 15 -12.586 -9.571 -20.449 104 HZ1 LYS 15 HZ1 LYS 15 -10.200 -9.499 -21.854 105 HZ2 LYS 15 HZ2 LYS 15 -10.614 -7.877 -21.562 106 HZ3 LYS 15 HZ3 LYS 15 -11.721 -8.912 -22.332 107 H ALA 16 HN ALA 16 -12.284 -4.594 -18.537 108 HA ALA 16 HA ALA 16 -12.276 -5.221 -21.352 109 HB1 ALA 16 HB1 ALA 16 -14.385 -3.625 -19.790 110 HB2 ALA 16 HB2 ALA 16 -14.371 -5.425 -19.889 111 HB3 ALA 16 HB3 ALA 16 -14.612 -4.443 -21.381 112 H ASN 17 HN ASN 17 -10.944 -2.706 -19.605 113 HA ASN 17 HA ASN 17 -11.455 -0.872 -21.859 114 HB2 ASN 17 HB2 ASN 17 -11.244 -0.355 -18.871 115 HB3 ASN 17 HB1 ASN 17 -10.516 0.863 -19.987 116 HD21 ASN 17 HD21 ASN 17 -13.522 -0.643 -18.832 117 HD22 ASN 17 HD22 ASN 17 -14.614 0.483 -19.578 118 H ASN 18 HN ASN 18 -9.304 -3.021 -20.429 119 HA ASN 18 HA ASN 18 -7.085 -3.277 -20.595 120 HB2 ASN 18 HB2 ASN 18 -7.214 -1.125 -22.794 121 HB3 ASN 18 HB1 ASN 18 -5.831 -2.238 -22.494 122 HD21 ASN 18 HD21 ASN 18 -8.148 -1.720 -24.682 123 HD22 ASN 18 HD22 ASN 18 -8.575 -3.336 -25.137 124 H ASN 19 HN ASN 19 -8.173 -1.416 -18.634 125 HA ASN 19 HA ASN 19 -6.368 0.850 -18.739 126 HB2 ASN 19 HB2 ASN 19 -8.438 -0.074 -16.672 127 HB3 ASN 19 HB1 ASN 19 -7.334 1.315 -16.379 128 HD21 ASN 19 HD21 ASN 19 -10.194 1.502 -16.410 129 HD22 ASN 19 HD22 ASN 19 -10.658 2.504 -17.744 130 H CYS 20 HN CYS 20 -6.042 -2.390 -18.153 131 HA CYS 20 HA CYS 20 -4.717 -2.473 -15.687 132 HB2 CYS 20 HB2 CYS 20 -5.303 -4.588 -16.872 133 HB3 CYS 20 HB1 CYS 20 -4.216 -4.129 -18.227 134 H SER 21 HN SER 21 -3.794 -1.227 -18.884 135 HA SER 21 HA SER 21 -1.018 -1.323 -18.529 136 HB2 SER 21 HB2 SER 21 -2.730 0.756 -20.034 137 HB3 SER 21 HB1 SER 21 -0.926 0.648 -20.144 138 HG SER 21 HG SER 21 -1.723 -0.499 -21.801 139 H SER 22 HN SER 22 -3.573 0.652 -17.062 140 HA SER 22 HA SER 22 -1.726 2.705 -16.270 141 HB2 SER 22 HB2 SER 22 -4.198 3.225 -16.491 142 HB3 SER 22 HB1 SER 22 -4.524 2.047 -15.160 143 HG SER 22 HG SER 22 -3.962 4.570 -14.945 144 H GLU 23 HN GLU 23 -0.772 2.942 -14.173 145 HA GLU 23 HA GLU 23 -0.338 0.432 -12.884 146 HB2 GLU 23 HB2 GLU 23 0.429 3.296 -12.059 147 HB3 GLU 23 HB1 GLU 23 0.923 1.820 -11.154 148 HG2 GLU 23 HG2 GLU 23 2.212 0.981 -13.117 149 HG3 GLU 23 HG1 GLU 23 1.661 2.398 -14.099 150 H LYS 24 HN LYS 24 -2.939 2.522 -12.953 151 HA LYS 24 HA LYS 24 -3.467 2.531 -10.171 152 HB2 LYS 24 HB2 LYS 24 -4.369 4.328 -11.715 153 HB3 LYS 24 HB1 LYS 24 -5.351 3.053 -12.526 154 HG2 LYS 24 HG2 LYS 24 -6.547 2.598 -10.419 155 HG3 LYS 24 HG1 LYS 24 -5.541 3.807 -9.563 156 HD2 LYS 24 HD2 LYS 24 -6.443 5.618 -10.992 157 HD3 LYS 24 HD1 LYS 24 -7.386 4.426 -11.949 158 HE2 LYS 24 HE2 LYS 24 -8.860 5.561 -10.292 159 HE3 LYS 24 HE1 LYS 24 -8.682 3.812 -9.848 160 HZ1 LYS 24 HZ1 LYS 24 -6.993 5.974 -8.709 161 HZ2 LYS 24 HZ2 LYS 24 -7.155 4.370 -8.178 162 HZ3 LYS 24 HZ3 LYS 24 -8.452 5.455 -8.014 163 H TYR 25 HN TYR 25 -3.782 0.313 -12.849 164 HA TYR 25 HA TYR 25 -5.454 -1.325 -11.092 165 HB2 TYR 25 HB2 TYR 25 -5.692 -1.106 -14.131 166 HB3 TYR 25 HB1 TYR 25 -6.619 -2.249 -13.078 167 HD1 TYR 25 HD1 TYR 25 -6.274 1.177 -14.258 168 HD2 TYR 25 HD2 TYR 25 -8.309 -1.400 -11.588 169 HE1 TYR 25 HE1 TYR 25 -8.016 2.860 -13.948 170 HE2 TYR 25 HE2 TYR 25 -10.040 0.284 -11.286 171 HH TYR 25 HH TYR 25 -9.888 3.198 -11.674 172 H LYS 26 HN LYS 26 -2.505 -0.875 -12.633 173 HA LYS 26 HA LYS 26 -2.171 -3.529 -13.603 174 HB2 LYS 26 HB2 LYS 26 -0.769 -1.319 -14.156 175 HB3 LYS 26 HB1 LYS 26 0.145 -1.788 -12.682 176 HG2 LYS 26 HG2 LYS 26 0.760 -3.935 -13.649 177 HG3 LYS 26 HG1 LYS 26 -0.334 -3.677 -15.054 178 HD2 LYS 26 HD2 LYS 26 1.062 -1.619 -15.647 179 HD3 LYS 26 HD1 LYS 26 2.216 -2.102 -14.357 180 HE2 LYS 26 HE2 LYS 26 2.620 -4.288 -15.526 181 HE3 LYS 26 HE1 LYS 26 1.446 -3.812 -16.823 182 HZ1 LYS 26 HZ1 LYS 26 3.207 -2.956 -17.796 183 HZ2 LYS 26 HZ2 LYS 26 4.173 -3.017 -16.400 184 HZ3 LYS 26 HZ3 LYS 26 3.136 -1.697 -16.659 185 H THR 27 HN THR 27 -2.056 -1.912 -10.461 186 HA THR 27 HA THR 27 -0.890 -4.387 -9.386 187 HB THR 27 HB THR 27 0.529 -2.253 -9.086 188 HG1 THR 27 HG1 THR 27 -0.490 -3.723 -6.891 189 HG21 THR 27 HG21 THR 27 -1.630 -1.600 -7.016 190 HG22 THR 27 HG22 THR 27 -1.637 -0.886 -8.673 191 HG23 THR 27 HG23 THR 27 -0.250 -0.576 -7.562 192 H ASN 28 HN ASN 28 -3.763 -2.894 -9.906 193 HA ASN 28 HA ASN 28 -4.693 -3.576 -7.200 194 HB2 ASN 28 HB2 ASN 28 -5.783 -1.541 -9.214 195 HB3 ASN 28 HB1 ASN 28 -6.742 -2.128 -7.812 196 HD21 ASN 28 HD21 ASN 28 -3.532 -0.632 -8.648 197 HD22 ASN 28 HD22 ASN 28 -3.419 0.334 -7.211 198 H CYS 29 HN CYS 29 -4.883 -4.108 -10.689 199 HA CYS 29 HA CYS 29 -6.916 -6.148 -10.095 200 HB2 CYS 29 HB2 CYS 29 -6.782 -4.346 -12.588 201 HB3 CYS 29 HB1 CYS 29 -7.816 -5.807 -12.451 202 H ALA 30 HN ALA 30 -4.220 -6.686 -9.910 203 HA ALA 30 HA ALA 30 -3.114 -7.336 -12.436 204 HB1 ALA 30 HB1 ALA 30 -1.619 -8.927 -10.948 205 HB2 ALA 30 HB2 ALA 30 -2.442 -8.114 -9.562 206 HB3 ALA 30 HB3 ALA 30 -1.454 -7.147 -10.720 207 H LYS 31 HN LYS 31 -5.085 -9.082 -9.971 208 HA LYS 31 HA LYS 31 -4.728 -11.630 -11.085 209 HB2 LYS 31 HB2 LYS 31 -5.820 -11.212 -8.829 210 HB3 LYS 31 HB1 LYS 31 -7.238 -10.534 -9.701 211 HG2 LYS 31 HG2 LYS 31 -7.591 -12.726 -10.847 212 HG3 LYS 31 HG1 LYS 31 -6.179 -13.408 -9.968 213 HD2 LYS 31 HD2 LYS 31 -7.327 -12.973 -7.790 214 HD3 LYS 31 HD1 LYS 31 -8.738 -12.287 -8.668 215 HE2 LYS 31 HE2 LYS 31 -9.133 -14.505 -9.779 216 HE3 LYS 31 HE1 LYS 31 -7.704 -15.197 -8.902 217 HZ1 LYS 31 HZ1 LYS 31 -8.910 -15.447 -7.100 218 HZ2 LYS 31 HZ2 LYS 31 -10.287 -15.107 -8.033 219 HZ3 LYS 31 HZ3 LYS 31 -9.532 -13.868 -7.150 220 H THR 32 HN THR 32 -7.166 -9.015 -11.710 221 HA THR 32 HA THR 32 -8.545 -10.587 -13.646 222 HB THR 32 HB THR 32 -8.443 -7.546 -13.332 223 HG1 THR 32 HG1 THR 32 -9.986 -9.620 -12.227 224 HG21 THR 32 HG21 THR 32 -10.480 -9.345 -14.806 225 HG22 THR 32 HG22 THR 32 -9.182 -8.397 -15.620 226 HG23 THR 32 HG23 THR 32 -10.496 -7.540 -14.721 227 H CYS 33 HN CYS 33 -5.840 -8.217 -13.676 228 HA CYS 33 HA CYS 33 -5.747 -7.877 -16.440 229 HB2 CYS 33 HB2 CYS 33 -4.324 -6.662 -14.603 230 HB3 CYS 33 HB1 CYS 33 -3.259 -8.106 -14.685 231 H GLY 34 HN GLY 34 -4.305 -10.405 -14.258 232 HA2 GLY 34 HA2 GLY 34 -4.226 -12.627 -15.049 233 HA3 GLY 34 HA1 GLY 34 -3.931 -11.977 -16.723 234 H GLU 35 HN GLU 35 -2.364 -10.153 -14.266 235 HA GLU 35 HA GLU 35 0.166 -10.876 -15.277 236 HB2 GLU 35 HB2 GLU 35 -0.624 -9.446 -12.669 237 HB3 GLU 35 HB1 GLU 35 1.079 -9.659 -13.209 238 HG2 GLU 35 HG2 GLU 35 -1.116 -8.132 -14.771 239 HG3 GLU 35 HG1 GLU 35 0.225 -7.388 -13.811 240 H CYS 36 HN CYS 36 -1.845 -11.890 -12.479 241 HA CYS 36 HA CYS 36 0.218 -13.401 -11.271 242 HB2 CYS 36 HB2 CYS 36 -2.100 -12.707 -10.227 243 HB3 CYS 36 HB1 CYS 36 -2.758 -14.104 -11.145 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -1.316 -16.817 -7.029 2 H2 ALA 1 HT2 ALA 1 -0.841 -17.628 -5.615 3 H3 ALA 1 HT3 ALA 1 0.332 -16.952 -6.639 4 HA ALA 1 HA ALA 1 -1.275 -15.733 -4.605 5 HB1 ALA 1 HB1 ALA 1 1.323 -14.957 -6.051 6 HB2 ALA 1 HB2 ALA 1 1.205 -15.789 -4.454 7 HB3 ALA 1 HB3 ALA 1 0.655 -14.079 -4.623 8 H CYS 2 HN CYS 2 -3.234 -14.906 -5.519 9 HA CYS 2 HA CYS 2 -2.713 -12.727 -7.412 10 HB2 CYS 2 HB2 CYS 2 -5.156 -14.602 -7.390 11 HB3 CYS 2 HB1 CYS 2 -4.968 -13.151 -8.430 12 H LYS 3 HN LYS 3 -4.050 -10.828 -7.075 13 HA LYS 3 HA LYS 3 -6.031 -10.934 -5.034 14 HB2 LYS 3 HB2 LYS 3 -4.992 -9.312 -3.469 15 HB3 LYS 3 HB1 LYS 3 -3.992 -10.805 -3.560 16 HG2 LYS 3 HG2 LYS 3 -2.480 -9.680 -5.225 17 HG3 LYS 3 HG1 LYS 3 -3.459 -8.178 -5.078 18 HD2 LYS 3 HD2 LYS 3 -2.914 -8.066 -2.640 19 HD3 LYS 3 HD1 LYS 3 -1.938 -9.567 -2.787 20 HE2 LYS 3 HE2 LYS 3 -0.389 -8.412 -4.389 21 HE3 LYS 3 HE1 LYS 3 -1.376 -6.898 -4.251 22 HZ1 LYS 3 HZ1 LYS 3 -0.626 -7.979 -1.707 23 HZ2 LYS 3 HZ2 LYS 3 -0.416 -6.421 -2.348 24 HZ3 LYS 3 HZ3 LYS 3 0.720 -7.638 -2.683 25 H ASP 4 HN ASP 4 -7.052 -8.684 -4.784 26 HA ASP 4 HA ASP 4 -6.202 -6.860 -6.866 27 HB2 ASP 4 HB2 ASP 4 -9.109 -7.848 -6.691 28 HB3 ASP 4 HB1 ASP 4 -8.470 -6.607 -7.829 29 H ASN 5 HN ASN 5 -6.780 -4.676 -6.369 30 HA ASN 5 HA ASN 5 -7.804 -4.439 -3.637 31 HB2 ASN 5 HB2 ASN 5 -6.482 -2.403 -5.523 32 HB3 ASN 5 HB1 ASN 5 -7.148 -1.979 -3.906 33 HD21 ASN 5 HD21 ASN 5 -4.386 -1.653 -4.777 34 HD22 ASN 5 HD22 ASN 5 -3.401 -2.651 -3.759 35 H LEU 6 HN LEU 6 -8.906 -4.615 -6.782 36 HA LEU 6 HA LEU 6 -11.170 -2.896 -6.106 37 HB2 LEU 6 HB2 LEU 6 -9.985 -3.425 -8.905 38 HB3 LEU 6 HB1 LEU 6 -11.490 -2.505 -8.581 39 HG LEU 6 HG LEU 6 -8.768 -1.697 -7.469 40 HD11 LEU 6 HD11 LEU 6 -10.031 -1.121 -10.165 41 HD12 LEU 6 HD12 LEU 6 -8.302 -1.423 -9.732 42 HD13 LEU 6 HD13 LEU 6 -9.066 0.171 -9.354 43 HD21 LEU 6 HD21 LEU 6 -9.966 0.599 -7.347 44 HD22 LEU 6 HD22 LEU 6 -10.489 -0.661 -6.165 45 HD23 LEU 6 HD23 LEU 6 -11.499 -0.314 -7.620 46 HA PRO 7 HA PRO 7 -13.518 -6.509 -6.680 47 HB2 PRO 7 HB2 PRO 7 -15.785 -5.531 -7.932 48 HB3 PRO 7 HB1 PRO 7 -15.437 -5.322 -6.161 49 HG2 PRO 7 HG2 PRO 7 -15.017 -3.390 -8.464 50 HG3 PRO 7 HG1 PRO 7 -15.622 -3.072 -6.796 51 HD2 PRO 7 HD2 PRO 7 -13.034 -2.521 -7.560 52 HD3 PRO 7 HD1 PRO 7 -13.464 -3.024 -5.873 53 H ALA 8 HN ALA 8 -14.376 -8.025 -8.240 54 HA ALA 8 HA ALA 8 -12.809 -8.039 -10.559 55 HB1 ALA 8 HB1 ALA 8 -13.946 -10.090 -11.183 56 HB2 ALA 8 HB2 ALA 8 -15.381 -9.653 -10.176 57 HB3 ALA 8 HB3 ALA 8 -13.828 -10.118 -9.382 58 H ALA 9 HN ALA 9 -16.179 -7.038 -9.844 59 HA ALA 9 HA ALA 9 -16.979 -6.859 -12.521 60 HB1 ALA 9 HB1 ALA 9 -17.875 -5.240 -10.070 61 HB2 ALA 9 HB2 ALA 9 -18.714 -6.665 -10.790 62 HB3 ALA 9 HB3 ALA 9 -18.655 -5.101 -11.691 63 H THR 10 HN THR 10 -15.276 -4.528 -10.328 64 HA THR 10 HA THR 10 -15.383 -2.466 -12.308 65 HB THR 10 HB THR 10 -13.611 -2.791 -9.845 66 HG1 THR 10 HG1 THR 10 -15.419 -0.741 -10.077 67 HG21 THR 10 HG21 THR 10 -13.811 -0.635 -12.013 68 HG22 THR 10 HG22 THR 10 -12.340 -1.399 -11.302 69 HG23 THR 10 HG23 THR 10 -13.300 -0.217 -10.335 70 H CYS 11 HN CYS 11 -12.935 -4.893 -11.198 71 HA CYS 11 HA CYS 11 -10.895 -3.939 -12.863 72 HB2 CYS 11 HB2 CYS 11 -11.493 -6.780 -11.884 73 HB3 CYS 11 HB1 CYS 11 -10.022 -6.337 -12.808 74 H SER 12 HN SER 12 -13.703 -6.035 -13.470 75 HA SER 12 HA SER 12 -12.835 -6.993 -15.957 76 HB2 SER 12 HB2 SER 12 -15.690 -6.451 -14.960 77 HB3 SER 12 HB1 SER 12 -15.287 -7.340 -16.483 78 HG SER 12 HG SER 12 -14.572 -8.034 -13.820 79 H ASN 13 HN ASN 13 -14.625 -4.080 -14.891 80 HA ASN 13 HA ASN 13 -15.014 -3.176 -17.558 81 HB2 ASN 13 HB2 ASN 13 -15.103 -1.754 -14.845 82 HB3 ASN 13 HB1 ASN 13 -15.378 -0.887 -16.397 83 HD21 ASN 13 HD21 ASN 13 -17.318 -1.040 -14.302 84 HD22 ASN 13 HD22 ASN 13 -18.673 -1.953 -14.872 85 H VAL 14 HN VAL 14 -12.499 -2.905 -15.054 86 HA VAL 14 HA VAL 14 -11.075 -0.791 -16.238 87 HB VAL 14 HB VAL 14 -10.198 -3.149 -14.521 88 HG11 VAL 14 HG11 VAL 14 -8.410 -2.029 -16.175 89 HG12 VAL 14 HG12 VAL 14 -7.980 -2.251 -14.446 90 HG13 VAL 14 HG13 VAL 14 -8.497 -0.633 -15.042 91 HG21 VAL 14 HG21 VAL 14 -11.811 -1.286 -13.678 92 HG22 VAL 14 HG22 VAL 14 -10.408 -0.172 -13.808 93 HG23 VAL 14 HG23 VAL 14 -10.331 -1.592 -12.703 94 H LYS 15 HN LYS 15 -10.968 -4.355 -16.548 95 HA LYS 15 HA LYS 15 -8.855 -4.271 -18.410 96 HB2 LYS 15 HB2 LYS 15 -9.085 -6.402 -17.434 97 HB3 LYS 15 HB1 LYS 15 -10.888 -6.318 -17.480 98 HG2 LYS 15 HG2 LYS 15 -9.571 -6.279 -20.170 99 HG3 LYS 15 HG1 LYS 15 -9.283 -7.778 -19.224 100 HD2 LYS 15 HD2 LYS 15 -11.837 -7.835 -18.804 101 HD3 LYS 15 HD1 LYS 15 -11.973 -6.540 -20.047 102 HE2 LYS 15 HE2 LYS 15 -10.889 -8.046 -21.739 103 HE3 LYS 15 HE1 LYS 15 -10.741 -9.349 -20.487 104 HZ1 LYS 15 HZ1 LYS 15 -12.827 -8.964 -22.154 105 HZ2 LYS 15 HZ2 LYS 15 -13.390 -8.243 -20.724 106 HZ3 LYS 15 HZ3 LYS 15 -12.861 -9.856 -20.712 107 H ALA 16 HN ALA 16 -12.443 -4.200 -18.562 108 HA ALA 16 HA ALA 16 -12.452 -4.490 -21.424 109 HB1 ALA 16 HB1 ALA 16 -14.482 -5.017 -19.914 110 HB2 ALA 16 HB2 ALA 16 -14.847 -3.967 -21.335 111 HB3 ALA 16 HB3 ALA 16 -14.663 -3.236 -19.696 112 H ASN 17 HN ASN 17 -11.432 -2.026 -19.342 113 HA ASN 17 HA ASN 17 -12.203 0.018 -21.317 114 HB2 ASN 17 HB2 ASN 17 -11.651 0.101 -18.346 115 HB3 ASN 17 HB1 ASN 17 -10.994 1.476 -19.314 116 HD21 ASN 17 HD21 ASN 17 -13.951 -0.232 -18.256 117 HD22 ASN 17 HD22 ASN 17 -15.065 1.034 -18.670 118 H ASN 18 HN ASN 18 -9.761 -2.151 -20.432 119 HA ASN 18 HA ASN 18 -7.640 -2.306 -21.131 120 HB2 ASN 18 HB2 ASN 18 -8.650 -0.877 -23.237 121 HB3 ASN 18 HB1 ASN 18 -7.569 0.383 -22.533 122 HD21 ASN 18 HD21 ASN 18 -7.751 -2.728 -24.223 123 HD22 ASN 18 HD22 ASN 18 -6.060 -2.881 -24.567 124 H ASN 19 HN ASN 19 -8.795 -0.526 -18.810 125 HA ASN 19 HA ASN 19 -6.689 1.406 -18.506 126 HB2 ASN 19 HB2 ASN 19 -8.878 0.389 -16.612 127 HB3 ASN 19 HB1 ASN 19 -7.616 1.560 -16.089 128 HD21 ASN 19 HD21 ASN 19 -10.417 2.116 -16.037 129 HD22 ASN 19 HD22 ASN 19 -10.750 3.377 -17.174 130 H CYS 20 HN CYS 20 -7.012 -1.961 -18.285 131 HA CYS 20 HA CYS 20 -5.437 -2.424 -15.972 132 HB2 CYS 20 HB2 CYS 20 -6.845 -4.068 -17.746 133 HB3 CYS 20 HB1 CYS 20 -5.140 -4.365 -18.229 134 H SER 21 HN SER 21 -4.791 -1.049 -19.085 135 HA SER 21 HA SER 21 -2.050 -1.973 -19.120 136 HB2 SER 21 HB2 SER 21 -3.468 0.171 -20.828 137 HB3 SER 21 HB1 SER 21 -1.780 -0.425 -21.097 138 HG SER 21 HG SER 21 -4.004 -1.406 -22.040 139 H SER 22 HN SER 22 -3.791 0.117 -17.196 140 HA SER 22 HA SER 22 -1.678 2.138 -17.199 141 HB2 SER 22 HB2 SER 22 -4.049 3.016 -17.124 142 HB3 SER 22 HB1 SER 22 -4.328 2.045 -15.626 143 HG SER 22 HG SER 22 -3.418 4.456 -15.785 144 H GLU 23 HN GLU 23 -0.389 2.500 -15.297 145 HA GLU 23 HA GLU 23 -0.004 0.127 -13.784 146 HB2 GLU 23 HB2 GLU 23 1.100 2.969 -13.390 147 HB3 GLU 23 HB1 GLU 23 1.598 1.548 -12.400 148 HG2 GLU 23 HG2 GLU 23 2.509 0.400 -14.424 149 HG3 GLU 23 HG1 GLU 23 1.960 1.778 -15.461 150 H LYS 24 HN LYS 24 -2.354 2.525 -13.712 151 HA LYS 24 HA LYS 24 -2.491 2.776 -10.899 152 HB2 LYS 24 HB2 LYS 24 -3.401 4.550 -12.479 153 HB3 LYS 24 HB1 LYS 24 -4.630 3.348 -13.016 154 HG2 LYS 24 HG2 LYS 24 -5.521 3.208 -10.715 155 HG3 LYS 24 HG1 LYS 24 -4.280 4.369 -10.149 156 HD2 LYS 24 HD2 LYS 24 -5.209 6.112 -11.681 157 HD3 LYS 24 HD1 LYS 24 -6.450 4.947 -12.255 158 HE2 LYS 24 HE2 LYS 24 -7.403 4.808 -9.938 159 HE3 LYS 24 HE1 LYS 24 -6.142 5.969 -9.349 160 HZ1 LYS 24 HZ1 LYS 24 -8.227 7.045 -9.841 161 HZ2 LYS 24 HZ2 LYS 24 -8.181 6.508 -11.451 162 HZ3 LYS 24 HZ3 LYS 24 -7.008 7.598 -10.885 163 H TYR 25 HN TYR 25 -3.534 0.487 -13.380 164 HA TYR 25 HA TYR 25 -5.182 -0.761 -11.301 165 HB2 TYR 25 HB2 TYR 25 -5.536 -0.763 -14.329 166 HB3 TYR 25 HB1 TYR 25 -6.409 -1.894 -13.222 167 HD1 TYR 25 HD1 TYR 25 -5.883 1.676 -14.070 168 HD2 TYR 25 HD2 TYR 25 -8.262 -1.189 -12.039 169 HE1 TYR 25 HE1 TYR 25 -7.604 3.369 -13.675 170 HE2 TYR 25 HE2 TYR 25 -9.973 0.503 -11.649 171 HH TYR 25 HH TYR 25 -9.718 3.410 -11.553 172 H LYS 26 HN LYS 26 -2.234 -0.903 -12.959 173 HA LYS 26 HA LYS 26 -2.287 -3.758 -13.380 174 HB2 LYS 26 HB2 LYS 26 -0.047 -1.668 -13.430 175 HB3 LYS 26 HB1 LYS 26 0.320 -3.423 -13.495 176 HG2 LYS 26 HG2 LYS 26 -1.095 -3.645 -15.546 177 HG3 LYS 26 HG1 LYS 26 -1.441 -1.885 -15.491 178 HD2 LYS 26 HD2 LYS 26 0.961 -1.366 -15.794 179 HD3 LYS 26 HD1 LYS 26 1.375 -3.113 -15.737 180 HE2 LYS 26 HE2 LYS 26 0.050 -3.502 -17.830 181 HE3 LYS 26 HE1 LYS 26 -0.382 -1.745 -17.882 182 HZ1 LYS 26 HZ1 LYS 26 1.824 -2.951 -18.957 183 HZ2 LYS 26 HZ2 LYS 26 2.423 -2.144 -17.589 184 HZ3 LYS 26 HZ3 LYS 26 1.553 -1.286 -18.769 185 H THR 27 HN THR 27 -2.177 -1.689 -10.679 186 HA THR 27 HA THR 27 -0.803 -3.796 -9.173 187 HB THR 27 HB THR 27 0.471 -1.624 -9.153 188 HG1 THR 27 HG1 THR 27 -0.797 -2.579 -6.823 189 HG21 THR 27 HG21 THR 27 -0.507 0.387 -8.445 190 HG22 THR 27 HG22 THR 27 -1.820 -0.454 -7.541 191 HG23 THR 27 HG23 THR 27 -1.872 -0.377 -9.343 192 H ASN 28 HN ASN 28 -3.778 -2.726 -10.029 193 HA ASN 28 HA ASN 28 -4.774 -3.146 -7.297 194 HB2 ASN 28 HB2 ASN 28 -5.789 -1.278 -9.496 195 HB3 ASN 28 HB1 ASN 28 -6.897 -1.896 -8.221 196 HD21 ASN 28 HD21 ASN 28 -3.668 -0.268 -8.624 197 HD22 ASN 28 HD22 ASN 28 -3.823 0.747 -7.225 198 H CYS 29 HN CYS 29 -4.961 -3.777 -10.810 199 HA CYS 29 HA CYS 29 -6.789 -5.981 -10.130 200 HB2 CYS 29 HB2 CYS 29 -6.767 -4.280 -12.696 201 HB3 CYS 29 HB1 CYS 29 -7.707 -5.795 -12.485 202 H ALA 30 HN ALA 30 -4.137 -6.410 -9.868 203 HA ALA 30 HA ALA 30 -2.822 -6.948 -12.297 204 HB1 ALA 30 HB1 ALA 30 -1.407 -8.563 -10.789 205 HB2 ALA 30 HB2 ALA 30 -2.402 -7.922 -9.429 206 HB3 ALA 30 HB3 ALA 30 -1.359 -6.808 -10.388 207 H LYS 31 HN LYS 31 -4.957 -8.882 -10.116 208 HA LYS 31 HA LYS 31 -4.436 -11.355 -11.323 209 HB2 LYS 31 HB2 LYS 31 -5.769 -11.050 -9.170 210 HB3 LYS 31 HB1 LYS 31 -7.114 -10.406 -10.172 211 HG2 LYS 31 HG2 LYS 31 -7.234 -12.569 -11.413 212 HG3 LYS 31 HG1 LYS 31 -5.894 -13.216 -10.404 213 HD2 LYS 31 HD2 LYS 31 -7.295 -12.903 -8.353 214 HD3 LYS 31 HD1 LYS 31 -8.634 -12.260 -9.366 215 HE2 LYS 31 HE2 LYS 31 -8.791 -14.459 -10.569 216 HE3 LYS 31 HE1 LYS 31 -7.432 -15.108 -9.559 217 HZ1 LYS 31 HZ1 LYS 31 -9.191 -15.791 -8.372 218 HZ2 LYS 31 HZ2 LYS 31 -10.207 -14.514 -8.843 219 HZ3 LYS 31 HZ3 LYS 31 -9.019 -14.262 -7.657 220 H THR 32 HN THR 32 -6.854 -8.756 -12.081 221 HA THR 32 HA THR 32 -8.017 -10.264 -14.196 222 HB THR 32 HB THR 32 -7.969 -7.235 -13.769 223 HG1 THR 32 HG1 THR 32 -9.772 -9.303 -13.059 224 HG21 THR 32 HG21 THR 32 -9.720 -9.040 -15.572 225 HG22 THR 32 HG22 THR 32 -8.483 -7.854 -16.135 226 HG23 THR 32 HG23 THR 32 -9.984 -7.268 -15.306 227 H CYS 33 HN CYS 33 -5.345 -7.863 -13.900 228 HA CYS 33 HA CYS 33 -4.974 -7.514 -16.651 229 HB2 CYS 33 HB2 CYS 33 -3.341 -7.084 -14.181 230 HB3 CYS 33 HB1 CYS 33 -2.376 -7.431 -15.646 231 H GLY 34 HN GLY 34 -3.797 -10.028 -14.314 232 HA2 GLY 34 HA2 GLY 34 -3.657 -12.245 -15.254 233 HA3 GLY 34 HA1 GLY 34 -2.861 -11.488 -16.705 234 H GLU 35 HN GLU 35 -2.099 -9.958 -13.706 235 HA GLU 35 HA GLU 35 0.508 -11.289 -13.833 236 HB2 GLU 35 HB2 GLU 35 -0.330 -8.665 -12.463 237 HB3 GLU 35 HB1 GLU 35 1.324 -9.372 -12.409 238 HG2 GLU 35 HG2 GLU 35 1.486 -9.172 -14.926 239 HG3 GLU 35 HG1 GLU 35 -0.146 -8.387 -14.935 240 H CYS 36 HN CYS 36 1.044 -12.722 -12.221 241 HA CYS 36 HA CYS 36 -0.154 -12.301 -9.621 242 HB2 CYS 36 HB2 CYS 36 -0.712 -14.772 -11.358 243 HB3 CYS 36 HB1 CYS 36 -0.678 -14.891 -9.564 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 0.574 -12.144 -6.856 2 H2 ALA 1 HT2 ALA 1 0.270 -10.827 -5.826 3 H3 ALA 1 HT3 ALA 1 1.662 -10.839 -6.801 4 HA ALA 1 HA ALA 1 -0.405 -9.473 -7.477 5 HB1 ALA 1 HB1 ALA 1 0.277 -9.648 -9.841 6 HB2 ALA 1 HB2 ALA 1 0.985 -11.278 -9.533 7 HB3 ALA 1 HB3 ALA 1 1.751 -9.812 -8.815 8 H CYS 2 HN CYS 2 -1.456 -12.077 -6.328 9 HA CYS 2 HA CYS 2 -3.311 -12.662 -8.533 10 HB2 CYS 2 HB2 CYS 2 -2.806 -14.534 -6.164 11 HB3 CYS 2 HB1 CYS 2 -3.606 -14.914 -7.729 12 H LYS 3 HN LYS 3 -3.576 -10.401 -6.850 13 HA LYS 3 HA LYS 3 -5.975 -11.225 -5.432 14 HB2 LYS 3 HB2 LYS 3 -3.805 -9.388 -4.252 15 HB3 LYS 3 HB1 LYS 3 -5.437 -9.647 -3.538 16 HG2 LYS 3 HG2 LYS 3 -4.931 -12.069 -3.222 17 HG3 LYS 3 HG1 LYS 3 -3.306 -11.830 -3.951 18 HD2 LYS 3 HD2 LYS 3 -2.725 -10.225 -2.120 19 HD3 LYS 3 HD1 LYS 3 -4.350 -10.469 -1.390 20 HE2 LYS 3 HE2 LYS 3 -3.830 -12.899 -1.030 21 HE3 LYS 3 HE1 LYS 3 -2.196 -12.660 -1.778 22 HZ1 LYS 3 HZ1 LYS 3 -2.896 -10.830 0.366 23 HZ2 LYS 3 HZ2 LYS 3 -1.447 -11.652 0.039 24 HZ3 LYS 3 HZ3 LYS 3 -2.723 -12.457 0.819 25 H ASP 4 HN ASP 4 -7.535 -9.414 -5.221 26 HA ASP 4 HA ASP 4 -6.780 -7.223 -7.024 27 HB2 ASP 4 HB2 ASP 4 -9.483 -8.646 -6.702 28 HB3 ASP 4 HB1 ASP 4 -9.330 -7.023 -7.463 29 H ASN 5 HN ASN 5 -6.925 -5.184 -6.120 30 HA ASN 5 HA ASN 5 -8.033 -5.137 -3.419 31 HB2 ASN 5 HB2 ASN 5 -6.444 -3.046 -5.025 32 HB3 ASN 5 HB1 ASN 5 -7.093 -2.760 -3.370 33 HD21 ASN 5 HD21 ASN 5 -4.270 -2.728 -4.312 34 HD22 ASN 5 HD22 ASN 5 -3.429 -3.918 -3.371 35 H LEU 6 HN LEU 6 -9.020 -4.797 -6.597 36 HA LEU 6 HA LEU 6 -11.072 -2.876 -5.785 37 HB2 LEU 6 HB2 LEU 6 -9.867 -3.397 -8.575 38 HB3 LEU 6 HB1 LEU 6 -11.324 -2.392 -8.283 39 HG LEU 6 HG LEU 6 -8.596 -1.831 -7.043 40 HD11 LEU 6 HD11 LEU 6 -9.868 -0.618 -9.548 41 HD12 LEU 6 HD12 LEU 6 -8.373 -1.625 -9.466 42 HD13 LEU 6 HD13 LEU 6 -8.401 0.022 -8.721 43 HD21 LEU 6 HD21 LEU 6 -9.682 0.531 -6.794 44 HD22 LEU 6 HD22 LEU 6 -10.226 -0.772 -5.670 45 HD23 LEU 6 HD23 LEU 6 -11.251 -0.311 -7.081 46 HA PRO 7 HA PRO 7 -13.967 -6.023 -6.538 47 HB2 PRO 7 HB2 PRO 7 -15.956 -4.695 -7.949 48 HB3 PRO 7 HB1 PRO 7 -15.713 -4.556 -6.156 49 HG2 PRO 7 HG2 PRO 7 -14.819 -2.704 -8.387 50 HG3 PRO 7 HG1 PRO 7 -15.485 -2.304 -6.760 51 HD2 PRO 7 HD2 PRO 7 -12.803 -2.162 -7.317 52 HD3 PRO 7 HD1 PRO 7 -13.422 -2.633 -5.684 53 H ALA 8 HN ALA 8 -14.923 -7.424 -8.120 54 HA ALA 8 HA ALA 8 -13.265 -7.689 -10.359 55 HB1 ALA 8 HB1 ALA 8 -16.037 -8.949 -10.055 56 HB2 ALA 8 HB2 ALA 8 -14.582 -9.601 -9.207 57 HB3 ALA 8 HB3 ALA 8 -14.644 -9.582 -11.011 58 H ALA 9 HN ALA 9 -16.476 -6.215 -9.790 59 HA ALA 9 HA ALA 9 -17.173 -6.002 -12.490 60 HB1 ALA 9 HB1 ALA 9 -18.886 -5.500 -10.784 61 HB2 ALA 9 HB2 ALA 9 -18.608 -4.014 -11.768 62 HB3 ALA 9 HB3 ALA 9 -17.870 -4.162 -10.128 63 H THR 10 HN THR 10 -15.177 -3.887 -10.324 64 HA THR 10 HA THR 10 -14.933 -1.889 -12.361 65 HB THR 10 HB THR 10 -13.289 -2.410 -9.843 66 HG1 THR 10 HG1 THR 10 -14.755 -0.115 -10.192 67 HG21 THR 10 HG21 THR 10 -11.802 -1.293 -11.361 68 HG22 THR 10 HG22 THR 10 -12.517 0.029 -10.360 69 HG23 THR 10 HG23 THR 10 -13.124 -0.265 -12.033 70 H CYS 11 HN CYS 11 -12.877 -4.592 -11.104 71 HA CYS 11 HA CYS 11 -10.702 -4.012 -12.779 72 HB2 CYS 11 HB2 CYS 11 -11.686 -6.700 -11.673 73 HB3 CYS 11 HB1 CYS 11 -10.140 -6.488 -12.556 74 H SER 12 HN SER 12 -13.747 -5.799 -13.309 75 HA SER 12 HA SER 12 -12.951 -6.961 -15.748 76 HB2 SER 12 HB2 SER 12 -15.759 -6.197 -14.759 77 HB3 SER 12 HB1 SER 12 -15.433 -7.160 -16.252 78 HG SER 12 HG SER 12 -14.809 -7.801 -13.559 79 H ASN 13 HN ASN 13 -14.459 -3.848 -14.811 80 HA ASN 13 HA ASN 13 -14.872 -3.050 -17.506 81 HB2 ASN 13 HB2 ASN 13 -15.917 -1.997 -15.310 82 HB3 ASN 13 HB1 ASN 13 -14.362 -1.098 -15.209 83 HD21 ASN 13 HD21 ASN 13 -15.159 0.966 -15.614 84 HD22 ASN 13 HD22 ASN 13 -15.872 1.445 -17.116 85 H VAL 14 HN VAL 14 -12.249 -2.842 -15.105 86 HA VAL 14 HA VAL 14 -10.637 -1.028 -16.514 87 HB VAL 14 HB VAL 14 -9.988 -3.316 -14.614 88 HG11 VAL 14 HG11 VAL 14 -7.718 -2.919 -14.894 89 HG12 VAL 14 HG12 VAL 14 -7.951 -1.141 -15.057 90 HG13 VAL 14 HG13 VAL 14 -8.192 -2.210 -16.478 91 HG21 VAL 14 HG21 VAL 14 -11.342 -1.053 -14.076 92 HG22 VAL 14 HG22 VAL 14 -9.682 -0.357 -14.031 93 HG23 VAL 14 HG23 VAL 14 -10.118 -1.717 -12.932 94 H LYS 15 HN LYS 15 -10.878 -4.611 -16.469 95 HA LYS 15 HA LYS 15 -8.850 -4.924 -18.378 96 HB2 LYS 15 HB2 LYS 15 -9.499 -6.842 -17.031 97 HB3 LYS 15 HB1 LYS 15 -11.216 -6.673 -17.563 98 HG2 LYS 15 HG2 LYS 15 -10.042 -8.526 -18.728 99 HG3 LYS 15 HG1 LYS 15 -10.613 -7.252 -19.862 100 HD2 LYS 15 HD2 LYS 15 -8.386 -6.339 -20.103 101 HD3 LYS 15 HD1 LYS 15 -7.755 -7.336 -18.745 102 HE2 LYS 15 HE2 LYS 15 -7.047 -8.323 -20.911 103 HE3 LYS 15 HE1 LYS 15 -8.240 -9.433 -20.116 104 HZ1 LYS 15 HZ1 LYS 15 -9.409 -7.425 -21.834 105 HZ2 LYS 15 HZ2 LYS 15 -9.698 -9.096 -21.724 106 HZ3 LYS 15 HZ3 LYS 15 -8.384 -8.519 -22.633 107 H ALA 16 HN ALA 16 -12.405 -4.491 -18.495 108 HA ALA 16 HA ALA 16 -12.497 -4.976 -21.327 109 HB1 ALA 16 HB1 ALA 16 -14.527 -3.414 -19.635 110 HB2 ALA 16 HB2 ALA 16 -14.537 -5.211 -19.789 111 HB3 ALA 16 HB3 ALA 16 -14.823 -4.178 -21.241 112 H ASN 17 HN ASN 17 -10.994 -2.585 -19.598 113 HA ASN 17 HA ASN 17 -11.611 -0.645 -21.731 114 HB2 ASN 17 HB2 ASN 17 -11.300 -0.261 -18.744 115 HB3 ASN 17 HB1 ASN 17 -10.504 0.964 -19.804 116 HD21 ASN 17 HD21 ASN 17 -13.630 -0.552 -18.904 117 HD22 ASN 17 HD22 ASN 17 -14.639 0.727 -19.508 118 H ASN 18 HN ASN 18 -9.443 -2.895 -20.493 119 HA ASN 18 HA ASN 18 -7.246 -3.196 -20.819 120 HB2 ASN 18 HB2 ASN 18 -7.433 -0.904 -22.868 121 HB3 ASN 18 HB1 ASN 18 -6.065 -2.063 -22.714 122 HD21 ASN 18 HD21 ASN 18 -8.501 -1.356 -24.721 123 HD22 ASN 18 HD22 ASN 18 -8.983 -2.932 -25.256 124 H ASN 19 HN ASN 19 -8.288 -1.288 -18.769 125 HA ASN 19 HA ASN 19 -6.323 0.838 -18.794 126 HB2 ASN 19 HB2 ASN 19 -8.422 -0.034 -16.732 127 HB3 ASN 19 HB1 ASN 19 -7.233 1.276 -16.410 128 HD21 ASN 19 HD21 ASN 19 -10.076 1.630 -16.385 129 HD22 ASN 19 HD22 ASN 19 -10.501 2.705 -17.674 130 H CYS 20 HN CYS 20 -6.210 -2.422 -18.360 131 HA CYS 20 HA CYS 20 -4.844 -2.677 -15.917 132 HB2 CYS 20 HB2 CYS 20 -5.176 -4.332 -18.403 133 HB3 CYS 20 HB1 CYS 20 -3.673 -4.637 -17.466 134 H SER 21 HN SER 21 -3.978 -1.206 -18.964 135 HA SER 21 HA SER 21 -1.173 -1.677 -18.694 136 HB2 SER 21 HB2 SER 21 -0.885 0.081 -20.453 137 HB3 SER 21 HB1 SER 21 -2.196 -1.066 -20.944 138 HG SER 21 HG SER 21 -3.640 0.425 -20.639 139 H SER 22 HN SER 22 -3.511 0.268 -17.042 140 HA SER 22 HA SER 22 -1.570 2.338 -16.435 141 HB2 SER 22 HB2 SER 22 -4.015 2.985 -16.644 142 HB3 SER 22 HB1 SER 22 -4.386 1.866 -15.271 143 HG SER 22 HG SER 22 -3.639 4.370 -15.168 144 H GLU 23 HN GLU 23 -0.638 2.632 -14.318 145 HA GLU 23 HA GLU 23 -0.283 0.133 -12.968 146 HB2 GLU 23 HB2 GLU 23 0.611 2.983 -12.230 147 HB3 GLU 23 HB1 GLU 23 1.057 1.509 -11.294 148 HG2 GLU 23 HG2 GLU 23 2.275 0.569 -13.262 149 HG3 GLU 23 HG1 GLU 23 1.781 1.997 -14.258 150 H LYS 24 HN LYS 24 -2.801 2.305 -13.088 151 HA LYS 24 HA LYS 24 -3.307 2.449 -10.310 152 HB2 LYS 24 HB2 LYS 24 -4.174 4.188 -11.947 153 HB3 LYS 24 HB1 LYS 24 -5.213 2.900 -12.659 154 HG2 LYS 24 HG2 LYS 24 -6.361 2.605 -10.491 155 HG3 LYS 24 HG1 LYS 24 -5.310 3.852 -9.749 156 HD2 LYS 24 HD2 LYS 24 -6.201 5.556 -11.347 157 HD3 LYS 24 HD1 LYS 24 -7.251 4.305 -12.096 158 HE2 LYS 24 HE2 LYS 24 -8.462 4.006 -9.919 159 HE3 LYS 24 HE1 LYS 24 -7.395 5.255 -9.153 160 HZ1 LYS 24 HZ1 LYS 24 -8.718 6.022 -11.628 161 HZ2 LYS 24 HZ2 LYS 24 -8.459 6.892 -10.193 162 HZ3 LYS 24 HZ3 LYS 24 -9.730 5.771 -10.289 163 H TYR 25 HN TYR 25 -3.740 0.149 -12.903 164 HA TYR 25 HA TYR 25 -5.419 -1.378 -11.057 165 HB2 TYR 25 HB2 TYR 25 -5.696 -1.241 -14.098 166 HB3 TYR 25 HB1 TYR 25 -6.620 -2.353 -13.007 167 HD1 TYR 25 HD1 TYR 25 -6.262 1.036 -14.278 168 HD2 TYR 25 HD2 TYR 25 -8.261 -1.444 -11.487 169 HE1 TYR 25 HE1 TYR 25 -7.974 2.751 -13.966 170 HE2 TYR 25 HE2 TYR 25 -9.960 0.269 -11.184 171 HH TYR 25 HH TYR 25 -9.774 3.176 -11.657 172 H LYS 26 HN LYS 26 -2.483 -1.061 -12.659 173 HA LYS 26 HA LYS 26 -2.225 -3.769 -13.505 174 HB2 LYS 26 HB2 LYS 26 -0.777 -1.587 -14.151 175 HB3 LYS 26 HB1 LYS 26 0.169 -2.082 -12.706 176 HG2 LYS 26 HG2 LYS 26 0.648 -4.266 -13.676 177 HG3 LYS 26 HG1 LYS 26 -0.471 -3.958 -15.051 178 HD2 LYS 26 HD2 LYS 26 1.008 -1.960 -15.676 179 HD3 LYS 26 HD1 LYS 26 2.176 -2.519 -14.430 180 HE2 LYS 26 HE2 LYS 26 2.415 -4.712 -15.630 181 HE3 LYS 26 HE1 LYS 26 1.232 -4.152 -16.886 182 HZ1 LYS 26 HZ1 LYS 26 3.511 -2.417 -16.305 183 HZ2 LYS 26 HZ2 LYS 26 2.728 -2.762 -17.770 184 HZ3 LYS 26 HZ3 LYS 26 3.830 -3.874 -17.115 185 H THR 27 HN THR 27 -2.090 -2.023 -10.444 186 HA THR 27 HA THR 27 -0.887 -4.433 -9.264 187 HB THR 27 HB THR 27 0.464 -2.235 -9.036 188 HG1 THR 27 HG1 THR 27 -0.495 -3.702 -6.814 189 HG21 THR 27 HG21 THR 27 -0.371 -0.583 -7.474 190 HG22 THR 27 HG22 THR 27 -1.772 -1.626 -7.025 191 HG23 THR 27 HG23 THR 27 -1.686 -0.887 -8.669 192 H ASN 28 HN ASN 28 -3.771 -2.808 -9.789 193 HA ASN 28 HA ASN 28 -4.718 -3.510 -7.095 194 HB2 ASN 28 HB2 ASN 28 -5.789 -1.539 -9.178 195 HB3 ASN 28 HB1 ASN 28 -6.809 -2.139 -7.824 196 HD21 ASN 28 HD21 ASN 28 -3.552 -0.633 -8.462 197 HD22 ASN 28 HD22 ASN 28 -3.554 0.367 -7.043 198 H CYS 29 HN CYS 29 -4.945 -4.078 -10.589 199 HA CYS 29 HA CYS 29 -6.892 -6.181 -9.943 200 HB2 CYS 29 HB2 CYS 29 -6.810 -4.431 -12.473 201 HB3 CYS 29 HB1 CYS 29 -7.814 -5.908 -12.291 202 H ALA 30 HN ALA 30 -4.091 -6.465 -9.822 203 HA ALA 30 HA ALA 30 -2.970 -7.157 -12.292 204 HB1 ALA 30 HB1 ALA 30 -1.188 -7.179 -10.818 205 HB2 ALA 30 HB2 ALA 30 -1.698 -8.878 -10.497 206 HB3 ALA 30 HB3 ALA 30 -2.266 -7.548 -9.421 207 H LYS 31 HN LYS 31 -4.952 -8.979 -9.899 208 HA LYS 31 HA LYS 31 -4.490 -11.508 -11.019 209 HB2 LYS 31 HB2 LYS 31 -5.705 -11.001 -8.787 210 HB3 LYS 31 HB1 LYS 31 -7.133 -10.575 -9.791 211 HG2 LYS 31 HG2 LYS 31 -7.108 -12.869 -10.787 212 HG3 LYS 31 HG1 LYS 31 -5.707 -13.291 -9.742 213 HD2 LYS 31 HD2 LYS 31 -7.094 -12.829 -7.709 214 HD3 LYS 31 HD1 LYS 31 -8.495 -12.424 -8.760 215 HE2 LYS 31 HE2 LYS 31 -8.497 -14.760 -9.676 216 HE3 LYS 31 HE1 LYS 31 -7.072 -15.171 -8.634 217 HZ1 LYS 31 HZ1 LYS 31 -8.369 -14.782 -6.708 218 HZ2 LYS 31 HZ2 LYS 31 -9.253 -15.815 -7.728 219 HZ3 LYS 31 HZ3 LYS 31 -9.678 -14.175 -7.603 220 H THR 32 HN THR 32 -6.923 -8.925 -11.733 221 HA THR 32 HA THR 32 -8.244 -10.515 -13.706 222 HB THR 32 HB THR 32 -8.207 -7.475 -13.354 223 HG1 THR 32 HG1 THR 32 -9.298 -9.440 -11.942 224 HG21 THR 32 HG21 THR 32 -8.875 -8.293 -15.674 225 HG22 THR 32 HG22 THR 32 -10.231 -7.483 -14.793 226 HG23 THR 32 HG23 THR 32 -10.172 -9.289 -14.909 227 H CYS 33 HN CYS 33 -5.575 -8.119 -13.629 228 HA CYS 33 HA CYS 33 -5.421 -7.747 -16.391 229 HB2 CYS 33 HB2 CYS 33 -3.205 -7.755 -14.266 230 HB3 CYS 33 HB1 CYS 33 -2.951 -7.247 -15.966 231 H GLY 34 HN GLY 34 -4.061 -10.285 -14.185 232 HA2 GLY 34 HA2 GLY 34 -3.917 -12.486 -15.057 233 HA3 GLY 34 HA1 GLY 34 -3.455 -11.768 -16.663 234 H GLU 35 HN GLU 35 -2.201 -10.174 -13.837 235 HA GLU 35 HA GLU 35 0.438 -10.714 -14.667 236 HB2 GLU 35 HB2 GLU 35 -0.668 -9.662 -11.999 237 HB3 GLU 35 HB1 GLU 35 1.090 -9.798 -12.355 238 HG2 GLU 35 HG2 GLU 35 -0.850 -8.161 -14.117 239 HG3 GLU 35 HG1 GLU 35 0.077 -7.462 -12.729 240 H CYS 36 HN CYS 36 -1.827 -12.140 -12.277 241 HA CYS 36 HA CYS 36 0.103 -13.757 -11.022 242 HB2 CYS 36 HB2 CYS 36 -2.298 -13.359 -10.166 243 HB3 CYS 36 HB1 CYS 36 -2.853 -14.447 -11.481 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 0.062 -13.795 -6.971 2 H2 ALA 1 HT2 ALA 1 0.469 -13.044 -5.502 3 H3 ALA 1 HT3 ALA 1 1.495 -12.889 -6.847 4 HA ALA 1 HA ALA 1 -0.175 -11.021 -6.160 5 HB1 ALA 1 HB1 ALA 1 0.303 -11.887 -9.068 6 HB2 ALA 1 HB2 ALA 1 1.454 -10.915 -8.075 7 HB3 ALA 1 HB3 ALA 1 -0.148 -10.223 -8.536 8 H CYS 2 HN CYS 2 -1.688 -13.602 -5.861 9 HA CYS 2 HA CYS 2 -3.861 -13.222 -7.747 10 HB2 CYS 2 HB2 CYS 2 -3.237 -15.274 -5.568 11 HB3 CYS 2 HB1 CYS 2 -4.925 -15.080 -6.154 12 H LYS 3 HN LYS 3 -4.257 -10.957 -6.964 13 HA LYS 3 HA LYS 3 -6.301 -11.040 -4.999 14 HB2 LYS 3 HB2 LYS 3 -5.306 -9.408 -3.384 15 HB3 LYS 3 HB1 LYS 3 -4.392 -10.958 -3.383 16 HG2 LYS 3 HG2 LYS 3 -2.773 -9.878 -5.072 17 HG3 LYS 3 HG1 LYS 3 -3.607 -8.318 -4.750 18 HD2 LYS 3 HD2 LYS 3 -2.297 -10.073 -2.581 19 HD3 LYS 3 HD1 LYS 3 -1.483 -8.693 -3.397 20 HE2 LYS 3 HE2 LYS 3 -3.291 -7.144 -2.540 21 HE3 LYS 3 HE1 LYS 3 -4.054 -8.544 -1.675 22 HZ1 LYS 3 HZ1 LYS 3 -2.690 -7.404 -0.170 23 HZ2 LYS 3 HZ2 LYS 3 -1.367 -7.355 -1.233 24 HZ3 LYS 3 HZ3 LYS 3 -1.863 -8.834 -0.561 25 H ASP 4 HN ASP 4 -7.328 -8.814 -4.803 26 HA ASP 4 HA ASP 4 -6.337 -6.980 -6.822 27 HB2 ASP 4 HB2 ASP 4 -9.253 -7.967 -6.756 28 HB3 ASP 4 HB1 ASP 4 -8.614 -6.652 -7.809 29 H ASN 5 HN ASN 5 -6.816 -4.790 -6.290 30 HA ASN 5 HA ASN 5 -7.909 -4.541 -3.595 31 HB2 ASN 5 HB2 ASN 5 -6.550 -2.516 -5.468 32 HB3 ASN 5 HB1 ASN 5 -7.239 -2.080 -3.862 33 HD21 ASN 5 HD21 ASN 5 -4.468 -1.762 -4.671 34 HD22 ASN 5 HD22 ASN 5 -3.503 -2.768 -3.640 35 H LEU 6 HN LEU 6 -8.969 -4.674 -6.764 36 HA LEU 6 HA LEU 6 -11.229 -2.948 -6.094 37 HB2 LEU 6 HB2 LEU 6 -10.024 -3.495 -8.881 38 HB3 LEU 6 HB1 LEU 6 -11.532 -2.572 -8.577 39 HG LEU 6 HG LEU 6 -8.825 -1.760 -7.431 40 HD11 LEU 6 HD11 LEU 6 -9.084 0.090 -9.338 41 HD12 LEU 6 HD12 LEU 6 -10.037 -1.207 -10.155 42 HD13 LEU 6 HD13 LEU 6 -8.316 -1.508 -9.686 43 HD21 LEU 6 HD21 LEU 6 -11.544 -0.358 -7.659 44 HD22 LEU 6 HD22 LEU 6 -10.010 0.536 -7.335 45 HD23 LEU 6 HD23 LEU 6 -10.586 -0.718 -6.173 46 HA PRO 7 HA PRO 7 -13.603 -6.544 -6.659 47 HB2 PRO 7 HB2 PRO 7 -15.855 -5.549 -7.925 48 HB3 PRO 7 HB1 PRO 7 -15.517 -5.341 -6.153 49 HG2 PRO 7 HG2 PRO 7 -15.070 -3.416 -8.457 50 HG3 PRO 7 HG1 PRO 7 -15.680 -3.090 -6.791 51 HD2 PRO 7 HD2 PRO 7 -13.083 -2.560 -7.542 52 HD3 PRO 7 HD1 PRO 7 -13.525 -3.061 -5.858 53 H ALA 8 HN ALA 8 -14.498 -8.046 -8.225 54 HA ALA 8 HA ALA 8 -12.911 -8.106 -10.525 55 HB1 ALA 8 HB1 ALA 8 -14.054 -10.137 -11.134 56 HB2 ALA 8 HB2 ALA 8 -15.542 -9.633 -10.246 57 HB3 ALA 8 HB3 ALA 8 -14.071 -10.134 -9.330 58 H ALA 9 HN ALA 9 -16.248 -6.990 -9.843 59 HA ALA 9 HA ALA 9 -17.012 -6.768 -12.527 60 HB1 ALA 9 HB1 ALA 9 -17.883 -5.198 -10.042 61 HB2 ALA 9 HB2 ALA 9 -18.789 -6.514 -10.878 62 HB3 ALA 9 HB3 ALA 9 -18.599 -4.903 -11.671 63 H THR 10 HN THR 10 -15.247 -4.513 -10.299 64 HA THR 10 HA THR 10 -15.261 -2.432 -12.265 65 HB THR 10 HB THR 10 -13.530 -2.847 -9.786 66 HG1 THR 10 HG1 THR 10 -15.265 -0.725 -10.077 67 HG21 THR 10 HG21 THR 10 -12.176 -1.518 -11.236 68 HG22 THR 10 HG22 THR 10 -13.073 -0.298 -10.254 69 HG23 THR 10 HG23 THR 10 -13.601 -0.664 -11.939 70 H CYS 11 HN CYS 11 -12.908 -4.951 -11.155 71 HA CYS 11 HA CYS 11 -10.826 -4.069 -12.804 72 HB2 CYS 11 HB2 CYS 11 -11.538 -6.900 -11.861 73 HB3 CYS 11 HB1 CYS 11 -10.035 -6.495 -12.751 74 H SER 12 HN SER 12 -13.711 -6.054 -13.436 75 HA SER 12 HA SER 12 -12.864 -7.020 -15.931 76 HB2 SER 12 HB2 SER 12 -15.704 -6.426 -14.923 77 HB3 SER 12 HB1 SER 12 -15.325 -7.307 -16.457 78 HG SER 12 HG SER 12 -14.644 -8.045 -13.797 79 H ASN 13 HN ASN 13 -14.577 -4.066 -14.841 80 HA ASN 13 HA ASN 13 -14.956 -3.141 -17.504 81 HB2 ASN 13 HB2 ASN 13 -15.109 -1.841 -14.750 82 HB3 ASN 13 HB1 ASN 13 -15.129 -0.816 -16.230 83 HD21 ASN 13 HD21 ASN 13 -16.943 -3.011 -14.170 84 HD22 ASN 13 HD22 ASN 13 -18.442 -2.935 -15.033 85 H VAL 14 HN VAL 14 -12.426 -2.925 -15.008 86 HA VAL 14 HA VAL 14 -10.957 -0.852 -16.210 87 HB VAL 14 HB VAL 14 -10.130 -3.221 -14.484 88 HG11 VAL 14 HG11 VAL 14 -7.901 -2.219 -14.325 89 HG12 VAL 14 HG12 VAL 14 -8.419 -0.739 -15.211 90 HG13 VAL 14 HG13 VAL 14 -8.278 -2.309 -16.083 91 HG21 VAL 14 HG21 VAL 14 -10.290 -0.231 -13.804 92 HG22 VAL 14 HG22 VAL 14 -10.201 -1.635 -12.679 93 HG23 VAL 14 HG23 VAL 14 -11.697 -1.334 -13.634 94 H LYS 15 HN LYS 15 -10.951 -4.417 -16.511 95 HA LYS 15 HA LYS 15 -8.834 -4.391 -18.375 96 HB2 LYS 15 HB2 LYS 15 -9.094 -6.516 -17.406 97 HB3 LYS 15 HB1 LYS 15 -10.895 -6.387 -17.405 98 HG2 LYS 15 HG2 LYS 15 -9.639 -6.397 -20.127 99 HG3 LYS 15 HG1 LYS 15 -9.377 -7.899 -19.180 100 HD2 LYS 15 HD2 LYS 15 -11.926 -7.868 -18.703 101 HD3 LYS 15 HD1 LYS 15 -12.044 -6.587 -19.961 102 HE2 LYS 15 HE2 LYS 15 -11.038 -8.153 -21.651 103 HE3 LYS 15 HE1 LYS 15 -10.918 -9.442 -20.381 104 HZ1 LYS 15 HZ1 LYS 15 -13.011 -9.016 -22.022 105 HZ2 LYS 15 HZ2 LYS 15 -13.528 -8.241 -20.602 106 HZ3 LYS 15 HZ3 LYS 15 -13.059 -9.873 -20.557 107 H ALA 16 HN ALA 16 -12.420 -4.228 -18.511 108 HA ALA 16 HA ALA 16 -12.445 -4.535 -21.374 109 HB1 ALA 16 HB1 ALA 16 -14.483 -5.022 -19.870 110 HB2 ALA 16 HB2 ALA 16 -14.829 -3.950 -21.279 111 HB3 ALA 16 HB3 ALA 16 -14.623 -3.240 -19.634 112 H ASN 17 HN ASN 17 -11.354 -2.098 -19.307 113 HA ASN 17 HA ASN 17 -12.095 -0.040 -21.279 114 HB2 ASN 17 HB2 ASN 17 -11.532 0.036 -18.310 115 HB3 ASN 17 HB1 ASN 17 -10.845 1.392 -19.282 116 HD21 ASN 17 HD21 ASN 17 -13.845 -0.249 -18.231 117 HD22 ASN 17 HD22 ASN 17 -14.927 1.046 -18.639 118 H ASN 18 HN ASN 18 -9.702 -2.270 -20.429 119 HA ASN 18 HA ASN 18 -7.571 -2.467 -21.092 120 HB2 ASN 18 HB2 ASN 18 -7.962 0.142 -22.682 121 HB3 ASN 18 HB1 ASN 18 -6.588 -1.005 -22.861 122 HD21 ASN 18 HD21 ASN 18 -9.291 -0.000 -24.406 123 HD22 ASN 18 HD22 ASN 18 -9.790 -1.461 -25.190 124 H ASN 19 HN ASN 19 -8.662 -0.637 -18.807 125 HA ASN 19 HA ASN 19 -6.511 1.275 -18.595 126 HB2 ASN 19 HB2 ASN 19 -8.759 0.439 -16.681 127 HB3 ASN 19 HB1 ASN 19 -7.464 1.598 -16.210 128 HD21 ASN 19 HD21 ASN 19 -10.233 2.259 -16.217 129 HD22 ASN 19 HD22 ASN 19 -10.513 3.460 -17.432 130 H CYS 20 HN CYS 20 -6.872 -2.051 -18.287 131 HA CYS 20 HA CYS 20 -5.394 -2.424 -15.888 132 HB2 CYS 20 HB2 CYS 20 -6.682 -4.122 -17.841 133 HB3 CYS 20 HB1 CYS 20 -4.948 -4.594 -17.780 134 H SER 21 HN SER 21 -4.613 -1.062 -18.893 135 HA SER 21 HA SER 21 -1.916 -2.140 -18.879 136 HB2 SER 21 HB2 SER 21 -3.219 -0.009 -20.692 137 HB3 SER 21 HB1 SER 21 -1.544 -0.667 -20.895 138 HG SER 21 HG SER 21 -3.902 -1.662 -21.697 139 H SER 22 HN SER 22 -3.629 0.002 -17.035 140 HA SER 22 HA SER 22 -1.491 1.999 -17.048 141 HB2 SER 22 HB2 SER 22 -3.854 2.910 -17.044 142 HB3 SER 22 HB1 SER 22 -4.176 1.978 -15.527 143 HG SER 22 HG SER 22 -3.293 4.365 -15.672 144 H GLU 23 HN GLU 23 -0.274 2.420 -15.097 145 HA GLU 23 HA GLU 23 0.081 0.069 -13.540 146 HB2 GLU 23 HB2 GLU 23 1.150 2.925 -13.149 147 HB3 GLU 23 HB1 GLU 23 1.627 1.520 -12.126 148 HG2 GLU 23 HG2 GLU 23 2.609 0.354 -14.110 149 HG3 GLU 23 HG1 GLU 23 2.087 1.720 -15.177 150 H LYS 24 HN LYS 24 -2.285 2.453 -13.581 151 HA LYS 24 HA LYS 24 -2.521 2.751 -10.782 152 HB2 LYS 24 HB2 LYS 24 -3.393 4.490 -12.416 153 HB3 LYS 24 HB1 LYS 24 -4.589 3.267 -12.983 154 HG2 LYS 24 HG2 LYS 24 -5.574 3.153 -10.723 155 HG3 LYS 24 HG1 LYS 24 -4.362 4.324 -10.116 156 HD2 LYS 24 HD2 LYS 24 -5.236 6.068 -11.647 157 HD3 LYS 24 HD1 LYS 24 -6.403 4.897 -12.348 158 HE2 LYS 24 HE2 LYS 24 -7.548 6.354 -10.691 159 HE3 LYS 24 HE1 LYS 24 -7.485 4.657 -10.057 160 HZ1 LYS 24 HZ1 LYS 24 -6.827 6.636 -8.575 161 HZ2 LYS 24 HZ2 LYS 24 -5.342 6.573 -9.395 162 HZ3 LYS 24 HZ3 LYS 24 -5.899 5.215 -8.540 163 H TYR 25 HN TYR 25 -3.462 0.400 -13.246 164 HA TYR 25 HA TYR 25 -5.155 -0.826 -11.187 165 HB2 TYR 25 HB2 TYR 25 -5.442 -0.887 -14.224 166 HB3 TYR 25 HB1 TYR 25 -6.342 -1.990 -13.108 167 HD1 TYR 25 HD1 TYR 25 -5.822 1.538 -14.093 168 HD2 TYR 25 HD2 TYR 25 -8.186 -1.234 -11.922 169 HE1 TYR 25 HE1 TYR 25 -7.545 3.242 -13.777 170 HE2 TYR 25 HE2 TYR 25 -9.901 0.470 -11.610 171 HH TYR 25 HH TYR 25 -9.588 3.458 -11.719 172 H LYS 26 HN LYS 26 -2.190 -0.983 -12.852 173 HA LYS 26 HA LYS 26 -2.213 -3.838 -13.217 174 HB2 LYS 26 HB2 LYS 26 0.010 -1.733 -13.248 175 HB3 LYS 26 HB1 LYS 26 0.397 -3.485 -13.273 176 HG2 LYS 26 HG2 LYS 26 -0.975 -3.756 -15.351 177 HG3 LYS 26 HG1 LYS 26 -1.333 -1.997 -15.335 178 HD2 LYS 26 HD2 LYS 26 1.070 -1.468 -15.601 179 HD3 LYS 26 HD1 LYS 26 1.496 -3.209 -15.492 180 HE2 LYS 26 HE2 LYS 26 0.218 -3.659 -17.605 181 HE3 LYS 26 HE1 LYS 26 -0.217 -1.905 -17.710 182 HZ1 LYS 26 HZ1 LYS 26 2.607 -2.626 -17.427 183 HZ2 LYS 26 HZ2 LYS 26 1.875 -1.342 -18.263 184 HZ3 LYS 26 HZ3 LYS 26 1.851 -2.909 -18.920 185 H THR 27 HN THR 27 -2.193 -1.772 -10.520 186 HA THR 27 HA THR 27 -0.831 -3.862 -8.982 187 HB THR 27 HB THR 27 0.434 -1.681 -8.949 188 HG1 THR 27 HG1 THR 27 -0.867 -2.627 -6.628 189 HG21 THR 27 HG21 THR 27 -1.886 -0.529 -7.367 190 HG22 THR 27 HG22 THR 27 -1.913 -0.449 -9.169 191 HG23 THR 27 HG23 THR 27 -0.566 0.321 -8.250 192 H ASN 28 HN ASN 28 -3.794 -2.828 -9.900 193 HA ASN 28 HA ASN 28 -4.836 -3.234 -7.181 194 HB2 ASN 28 HB2 ASN 28 -5.822 -1.369 -9.398 195 HB3 ASN 28 HB1 ASN 28 -6.941 -1.977 -8.127 196 HD21 ASN 28 HD21 ASN 28 -3.731 -0.324 -8.547 197 HD22 ASN 28 HD22 ASN 28 -3.880 0.685 -7.142 198 H CYS 29 HN CYS 29 -4.958 -3.879 -10.694 199 HA CYS 29 HA CYS 29 -6.772 -6.101 -10.038 200 HB2 CYS 29 HB2 CYS 29 -6.813 -4.351 -12.571 201 HB3 CYS 29 HB1 CYS 29 -7.714 -5.893 -12.387 202 H ALA 30 HN ALA 30 -4.068 -6.421 -9.841 203 HA ALA 30 HA ALA 30 -2.774 -6.898 -12.279 204 HB1 ALA 30 HB1 ALA 30 -2.259 -8.423 -9.667 205 HB2 ALA 30 HB2 ALA 30 -1.622 -6.761 -9.976 206 HB3 ALA 30 HB3 ALA 30 -1.092 -8.136 -11.012 207 H LYS 31 HN LYS 31 -4.855 -8.948 -10.173 208 HA LYS 31 HA LYS 31 -4.283 -11.357 -11.481 209 HB2 LYS 31 HB2 LYS 31 -5.591 -11.159 -9.296 210 HB3 LYS 31 HB1 LYS 31 -6.970 -10.522 -10.259 211 HG2 LYS 31 HG2 LYS 31 -7.029 -12.648 -11.576 212 HG3 LYS 31 HG1 LYS 31 -5.671 -13.287 -10.586 213 HD2 LYS 31 HD2 LYS 31 -7.074 -13.079 -8.530 214 HD3 LYS 31 HD1 LYS 31 -8.431 -12.436 -9.517 215 HE2 LYS 31 HE2 LYS 31 -8.534 -14.597 -10.794 216 HE3 LYS 31 HE1 LYS 31 -7.161 -15.245 -9.805 217 HZ1 LYS 31 HZ1 LYS 31 -9.683 -15.617 -9.198 218 HZ2 LYS 31 HZ2 LYS 31 -9.460 -14.151 -8.372 219 HZ3 LYS 31 HZ3 LYS 31 -8.468 -15.484 -8.021 220 H THR 32 HN THR 32 -6.761 -8.781 -12.124 221 HA THR 32 HA THR 32 -7.891 -10.270 -14.296 222 HB THR 32 HB THR 32 -8.080 -7.280 -13.678 223 HG1 THR 32 HG1 THR 32 -9.681 -9.531 -13.046 224 HG21 THR 32 HG21 THR 32 -9.807 -9.088 -15.500 225 HG22 THR 32 HG22 THR 32 -8.579 -7.906 -16.085 226 HG23 THR 32 HG23 THR 32 -10.048 -7.318 -15.209 227 H CYS 33 HN CYS 33 -5.396 -7.708 -13.881 228 HA CYS 33 HA CYS 33 -5.155 -7.095 -16.600 229 HB2 CYS 33 HB2 CYS 33 -3.039 -7.119 -14.376 230 HB3 CYS 33 HB1 CYS 33 -2.736 -6.478 -16.023 231 H GLY 34 HN GLY 34 -3.579 -9.644 -14.538 232 HA2 GLY 34 HA2 GLY 34 -3.464 -11.742 -15.912 233 HA3 GLY 34 HA1 GLY 34 -2.475 -10.714 -17.042 234 H GLU 35 HN GLU 35 -2.721 -11.755 -13.575 235 HA GLU 35 HA GLU 35 0.153 -12.079 -13.635 236 HB2 GLU 35 HB2 GLU 35 -1.341 -10.182 -11.747 237 HB3 GLU 35 HB1 GLU 35 0.181 -10.992 -11.231 238 HG2 GLU 35 HG2 GLU 35 -0.077 -9.209 -13.748 239 HG3 GLU 35 HG1 GLU 35 0.572 -8.667 -12.149 240 H CYS 36 HN CYS 36 0.867 -13.310 -11.580 241 HA CYS 36 HA CYS 36 0.507 -14.932 -10.060 242 HB2 CYS 36 HB2 CYS 36 -1.693 -13.490 -9.471 243 HB3 CYS 36 HB1 CYS 36 -2.524 -14.803 -10.367 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 3.199 -8.358 -8.447 2 H2 ALA 1 HT2 ALA 1 2.481 -9.882 -8.231 3 H3 ALA 1 HT3 ALA 1 2.484 -8.757 -6.958 4 HA ALA 1 HA ALA 1 0.769 -7.622 -7.742 5 HB1 ALA 1 HB1 ALA 1 1.725 -8.367 -10.564 6 HB2 ALA 1 HB2 ALA 1 1.974 -6.779 -9.744 7 HB3 ALA 1 HB3 ALA 1 0.313 -7.299 -10.218 8 H CYS 2 HN CYS 2 -0.450 -9.322 -6.631 9 HA CYS 2 HA CYS 2 -1.854 -10.970 -8.587 10 HB2 CYS 2 HB2 CYS 2 -0.658 -11.961 -5.930 11 HB3 CYS 2 HB1 CYS 2 -1.934 -12.846 -6.833 12 H LYS 3 HN LYS 3 -3.931 -11.931 -7.439 13 HA LYS 3 HA LYS 3 -5.818 -11.525 -6.325 14 HB2 LYS 3 HB2 LYS 3 -4.108 -9.748 -4.485 15 HB3 LYS 3 HB1 LYS 3 -5.804 -10.248 -4.165 16 HG2 LYS 3 HG2 LYS 3 -5.115 -12.634 -4.091 17 HG3 LYS 3 HG1 LYS 3 -3.419 -12.167 -4.457 18 HD2 LYS 3 HD2 LYS 3 -3.335 -10.839 -2.351 19 HD3 LYS 3 HD1 LYS 3 -5.029 -11.302 -1.986 20 HE2 LYS 3 HE2 LYS 3 -4.354 -13.717 -1.875 21 HE3 LYS 3 HE1 LYS 3 -2.643 -13.253 -2.255 22 HZ1 LYS 3 HZ1 LYS 3 -3.414 -11.644 -0.166 23 HZ2 LYS 3 HZ2 LYS 3 -2.396 -13.001 -0.108 24 HZ3 LYS 3 HZ3 LYS 3 -4.056 -13.169 0.210 25 H ASP 4 HN ASP 4 -7.019 -9.243 -5.267 26 HA ASP 4 HA ASP 4 -6.325 -7.055 -6.975 27 HB2 ASP 4 HB2 ASP 4 -8.777 -6.860 -7.761 28 HB3 ASP 4 HB1 ASP 4 -7.806 -8.140 -8.561 29 H ASN 5 HN ASN 5 -7.558 -5.063 -6.328 30 HA ASN 5 HA ASN 5 -8.590 -5.433 -3.596 31 HB2 ASN 5 HB2 ASN 5 -7.332 -2.918 -4.856 32 HB3 ASN 5 HB1 ASN 5 -8.000 -3.023 -3.187 33 HD21 ASN 5 HD21 ASN 5 -5.172 -2.582 -4.492 34 HD22 ASN 5 HD22 ASN 5 -4.145 -3.639 -3.578 35 H LEU 6 HN LEU 6 -8.988 -4.081 -6.863 36 HA LEU 6 HA LEU 6 -11.395 -2.722 -6.110 37 HB2 LEU 6 HB2 LEU 6 -10.167 -3.369 -8.860 38 HB3 LEU 6 HB1 LEU 6 -11.673 -2.421 -8.634 39 HG LEU 6 HG LEU 6 -9.024 -1.612 -7.367 40 HD11 LEU 6 HD11 LEU 6 -8.495 -1.606 -9.698 41 HD12 LEU 6 HD12 LEU 6 -8.914 0.106 -9.289 42 HD13 LEU 6 HD13 LEU 6 -10.113 -0.937 -10.144 43 HD21 LEU 6 HD21 LEU 6 -11.696 -0.181 -7.836 44 HD22 LEU 6 HD22 LEU 6 -10.174 0.701 -7.439 45 HD23 LEU 6 HD23 LEU 6 -10.851 -0.500 -6.275 46 HA PRO 7 HA PRO 7 -14.097 -6.079 -6.654 47 HB2 PRO 7 HB2 PRO 7 -16.234 -4.891 -7.954 48 HB3 PRO 7 HB1 PRO 7 -15.890 -4.689 -6.182 49 HG2 PRO 7 HG2 PRO 7 -15.241 -2.852 -8.510 50 HG3 PRO 7 HG1 PRO 7 -15.830 -2.443 -6.856 51 HD2 PRO 7 HD2 PRO 7 -13.190 -2.178 -7.592 52 HD3 PRO 7 HD1 PRO 7 -13.691 -2.608 -5.904 53 H ALA 8 HN ALA 8 -15.147 -7.495 -8.214 54 HA ALA 8 HA ALA 8 -13.544 -7.756 -10.490 55 HB1 ALA 8 HB1 ALA 8 -16.318 -8.996 -10.103 56 HB2 ALA 8 HB2 ALA 8 -14.828 -9.676 -9.345 57 HB3 ALA 8 HB3 ALA 8 -14.983 -9.620 -11.143 58 H ALA 9 HN ALA 9 -16.760 -6.289 -9.873 59 HA ALA 9 HA ALA 9 -17.459 -6.036 -12.575 60 HB1 ALA 9 HB1 ALA 9 -18.196 -4.298 -10.156 61 HB2 ALA 9 HB2 ALA 9 -19.204 -5.590 -10.911 62 HB3 ALA 9 HB3 ALA 9 -18.896 -4.050 -11.801 63 H THR 10 HN THR 10 -15.516 -3.930 -10.355 64 HA THR 10 HA THR 10 -15.300 -1.891 -12.347 65 HB THR 10 HB THR 10 -13.626 -2.436 -9.853 66 HG1 THR 10 HG1 THR 10 -15.167 -0.177 -10.133 67 HG21 THR 10 HG21 THR 10 -13.515 -0.279 -12.028 68 HG22 THR 10 HG22 THR 10 -12.164 -1.223 -11.291 69 HG23 THR 10 HG23 THR 10 -12.980 0.076 -10.342 70 H CYS 11 HN CYS 11 -13.229 -4.628 -11.182 71 HA CYS 11 HA CYS 11 -11.068 -3.955 -12.849 72 HB2 CYS 11 HB2 CYS 11 -11.994 -6.670 -11.768 73 HB3 CYS 11 HB1 CYS 11 -10.484 -6.442 -12.706 74 H SER 12 HN SER 12 -14.180 -5.514 -13.451 75 HA SER 12 HA SER 12 -13.429 -6.772 -15.859 76 HB2 SER 12 HB2 SER 12 -16.164 -5.708 -14.953 77 HB3 SER 12 HB1 SER 12 -15.900 -6.696 -16.444 78 HG SER 12 HG SER 12 -15.320 -7.436 -13.758 79 H ASN 13 HN ASN 13 -14.720 -3.553 -14.973 80 HA ASN 13 HA ASN 13 -14.874 -2.727 -17.690 81 HB2 ASN 13 HB2 ASN 13 -14.806 -1.181 -15.046 82 HB3 ASN 13 HB1 ASN 13 -14.884 -0.356 -16.643 83 HD21 ASN 13 HD21 ASN 13 -16.883 -0.091 -14.609 84 HD22 ASN 13 HD22 ASN 13 -18.355 -0.788 -15.193 85 H VAL 14 HN VAL 14 -12.440 -2.705 -15.082 86 HA VAL 14 HA VAL 14 -10.648 -0.937 -16.321 87 HB VAL 14 HB VAL 14 -10.221 -3.291 -14.444 88 HG11 VAL 14 HG11 VAL 14 -8.226 -1.127 -15.433 89 HG12 VAL 14 HG12 VAL 14 -8.175 -2.881 -15.849 90 HG13 VAL 14 HG13 VAL 14 -7.898 -2.351 -14.150 91 HG21 VAL 14 HG21 VAL 14 -10.151 -1.606 -12.724 92 HG22 VAL 14 HG22 VAL 14 -11.572 -1.194 -13.750 93 HG23 VAL 14 HG23 VAL 14 -10.040 -0.270 -13.925 94 H LYS 15 HN LYS 15 -11.107 -4.493 -16.411 95 HA LYS 15 HA LYS 15 -8.944 -4.884 -18.165 96 HB2 LYS 15 HB2 LYS 15 -9.765 -6.797 -16.918 97 HB3 LYS 15 HB1 LYS 15 -11.441 -6.523 -17.526 98 HG2 LYS 15 HG2 LYS 15 -10.350 -8.413 -18.688 99 HG3 LYS 15 HG1 LYS 15 -10.732 -7.069 -19.822 100 HD2 LYS 15 HD2 LYS 15 -8.399 -6.305 -19.781 101 HD3 LYS 15 HD1 LYS 15 -7.981 -7.528 -18.529 102 HE2 LYS 15 HE2 LYS 15 -8.503 -9.377 -20.145 103 HE3 LYS 15 HE1 LYS 15 -8.942 -8.150 -21.406 104 HZ1 LYS 15 HZ1 LYS 15 -6.294 -8.306 -20.060 105 HZ2 LYS 15 HZ2 LYS 15 -6.732 -7.345 -21.391 106 HZ3 LYS 15 HZ3 LYS 15 -6.665 -9.035 -21.546 107 H ALA 16 HN ALA 16 -12.452 -4.275 -18.514 108 HA ALA 16 HA ALA 16 -12.401 -4.714 -21.342 109 HB1 ALA 16 HB1 ALA 16 -14.656 -3.733 -21.397 110 HB2 ALA 16 HB2 ALA 16 -14.400 -2.982 -19.777 111 HB3 ALA 16 HB3 ALA 16 -14.549 -4.774 -19.928 112 H ASN 17 HN ASN 17 -10.881 -2.434 -19.449 113 HA ASN 17 HA ASN 17 -11.187 -0.427 -21.582 114 HB2 ASN 17 HB2 ASN 17 -10.923 -0.162 -18.577 115 HB3 ASN 17 HB1 ASN 17 -9.971 1.000 -19.577 116 HD21 ASN 17 HD21 ASN 17 -13.238 -0.114 -18.673 117 HD22 ASN 17 HD22 ASN 17 -14.096 1.255 -19.312 118 H ASN 18 HN ASN 18 -9.278 -2.892 -20.249 119 HA ASN 18 HA ASN 18 -7.123 -3.431 -20.534 120 HB2 ASN 18 HB2 ASN 18 -7.006 -1.138 -22.588 121 HB3 ASN 18 HB1 ASN 18 -5.779 -2.441 -22.396 122 HD21 ASN 18 HD21 ASN 18 -8.111 -1.464 -24.443 123 HD22 ASN 18 HD22 ASN 18 -8.733 -2.980 -25.003 124 H ASN 19 HN ASN 19 -8.105 -1.251 -18.632 125 HA ASN 19 HA ASN 19 -5.760 0.458 -18.544 126 HB2 ASN 19 HB2 ASN 19 -8.291 0.299 -16.816 127 HB3 ASN 19 HB1 ASN 19 -6.893 1.353 -16.392 128 HD21 ASN 19 HD21 ASN 19 -9.501 2.369 -16.858 129 HD22 ASN 19 HD22 ASN 19 -9.480 3.332 -18.296 130 H CYS 20 HN CYS 20 -6.524 -2.694 -17.744 131 HA CYS 20 HA CYS 20 -5.462 -2.743 -15.115 132 HB2 CYS 20 HB2 CYS 20 -5.479 -5.141 -15.243 133 HB3 CYS 20 HB1 CYS 20 -6.898 -4.619 -16.199 134 H SER 21 HN SER 21 -4.139 -2.207 -18.241 135 HA SER 21 HA SER 21 -1.594 -3.395 -17.615 136 HB2 SER 21 HB2 SER 21 -0.787 -2.378 -19.742 137 HB3 SER 21 HB1 SER 21 -2.378 -3.188 -20.041 138 HG SER 21 HG SER 21 -3.330 -1.307 -20.214 139 H SER 22 HN SER 22 -3.341 -0.627 -16.647 140 HA SER 22 HA SER 22 -1.052 1.116 -16.578 141 HB2 SER 22 HB2 SER 22 -3.373 2.116 -16.754 142 HB3 SER 22 HB1 SER 22 -3.780 1.367 -15.158 143 HG SER 22 HG SER 22 -2.666 3.684 -15.623 144 H GLU 23 HN GLU 23 0.035 1.787 -14.573 145 HA GLU 23 HA GLU 23 0.351 -0.422 -12.817 146 HB2 GLU 23 HB2 GLU 23 1.306 2.489 -12.581 147 HB3 GLU 23 HB1 GLU 23 1.753 1.186 -11.420 148 HG2 GLU 23 HG2 GLU 23 2.902 -0.096 -13.232 149 HG3 GLU 23 HG1 GLU 23 2.409 1.160 -14.440 150 H LYS 24 HN LYS 24 -2.039 1.946 -13.164 151 HA LYS 24 HA LYS 24 -2.473 2.340 -10.392 152 HB2 LYS 24 HB2 LYS 24 -3.179 4.062 -12.105 153 HB3 LYS 24 HB1 LYS 24 -4.332 2.850 -12.771 154 HG2 LYS 24 HG2 LYS 24 -5.530 2.774 -10.617 155 HG3 LYS 24 HG1 LYS 24 -4.363 3.931 -9.905 156 HD2 LYS 24 HD2 LYS 24 -5.058 5.675 -11.527 157 HD3 LYS 24 HD1 LYS 24 -6.172 4.516 -12.327 158 HE2 LYS 24 HE2 LYS 24 -7.447 6.006 -10.800 159 HE3 LYS 24 HE1 LYS 24 -7.469 4.316 -10.143 160 HZ1 LYS 24 HZ1 LYS 24 -5.213 5.773 -9.208 161 HZ2 LYS 24 HZ2 LYS 24 -6.457 5.006 -8.343 162 HZ3 LYS 24 HZ3 LYS 24 -6.652 6.608 -8.871 163 H TYR 25 HN TYR 25 -3.337 -0.014 -12.899 164 HA TYR 25 HA TYR 25 -5.168 -1.180 -10.926 165 HB2 TYR 25 HB2 TYR 25 -5.283 -1.297 -13.968 166 HB3 TYR 25 HB1 TYR 25 -6.318 -2.290 -12.874 167 HD1 TYR 25 HD1 TYR 25 -5.522 1.139 -13.996 168 HD2 TYR 25 HD2 TYR 25 -8.160 -1.352 -11.803 169 HE1 TYR 25 HE1 TYR 25 -7.145 2.962 -13.860 170 HE2 TYR 25 HE2 TYR 25 -9.773 0.469 -11.671 171 HH TYR 25 HH TYR 25 -9.216 3.469 -11.976 172 H LYS 26 HN LYS 26 -2.093 -1.422 -12.254 173 HA LYS 26 HA LYS 26 -2.168 -4.264 -12.735 174 HB2 LYS 26 HB2 LYS 26 0.002 -2.151 -12.646 175 HB3 LYS 26 HB1 LYS 26 0.488 -3.852 -12.354 176 HG2 LYS 26 HG2 LYS 26 -0.619 -4.498 -14.534 177 HG3 LYS 26 HG1 LYS 26 -0.958 -2.759 -14.836 178 HD2 LYS 26 HD2 LYS 26 1.400 -2.221 -14.950 179 HD3 LYS 26 HD1 LYS 26 1.873 -3.832 -14.308 180 HE2 LYS 26 HE2 LYS 26 0.992 -4.925 -16.393 181 HE3 LYS 26 HE1 LYS 26 0.516 -3.301 -17.039 182 HZ1 LYS 26 HZ1 LYS 26 2.677 -2.699 -17.310 183 HZ2 LYS 26 HZ2 LYS 26 2.766 -4.359 -17.657 184 HZ3 LYS 26 HZ3 LYS 26 3.281 -3.778 -16.148 185 H THR 27 HN THR 27 -2.419 -2.306 -10.000 186 HA THR 27 HA THR 27 -1.316 -4.484 -8.388 187 HB THR 27 HB THR 27 0.126 -2.432 -8.194 188 HG1 THR 27 HG1 THR 27 -1.488 -3.224 -6.014 189 HG21 THR 27 HG21 THR 27 -2.185 -1.050 -6.813 190 HG22 THR 27 HG22 THR 27 -2.109 -1.012 -8.615 191 HG23 THR 27 HG23 THR 27 -0.748 -0.343 -7.639 192 H ASN 28 HN ASN 28 -4.081 -3.352 -9.575 193 HA ASN 28 HA ASN 28 -5.404 -3.669 -6.984 194 HB2 ASN 28 HB2 ASN 28 -5.984 -1.614 -9.172 195 HB3 ASN 28 HB1 ASN 28 -7.264 -2.152 -8.030 196 HD21 ASN 28 HD21 ASN 28 -3.968 -0.672 -8.216 197 HD22 ASN 28 HD22 ASN 28 -4.096 0.219 -6.731 198 H CYS 29 HN CYS 29 -5.206 -4.212 -10.507 199 HA CYS 29 HA CYS 29 -7.288 -6.250 -10.129 200 HB2 CYS 29 HB2 CYS 29 -7.013 -4.364 -12.550 201 HB3 CYS 29 HB1 CYS 29 -8.057 -5.823 -12.513 202 H ALA 30 HN ALA 30 -4.585 -6.753 -9.808 203 HA ALA 30 HA ALA 30 -3.320 -7.310 -12.278 204 HB1 ALA 30 HB1 ALA 30 -2.831 -8.438 -9.465 205 HB2 ALA 30 HB2 ALA 30 -1.917 -7.099 -10.256 206 HB3 ALA 30 HB3 ALA 30 -1.776 -8.782 -10.886 207 H LYS 31 HN LYS 31 -5.388 -9.183 -9.990 208 HA LYS 31 HA LYS 31 -4.955 -11.667 -11.227 209 HB2 LYS 31 HB2 LYS 31 -6.093 -11.430 -8.986 210 HB3 LYS 31 HB1 LYS 31 -7.491 -10.661 -9.818 211 HG2 LYS 31 HG2 LYS 31 -7.869 -12.752 -11.132 212 HG3 LYS 31 HG1 LYS 31 -6.472 -13.525 -10.305 213 HD2 LYS 31 HD2 LYS 31 -7.627 -13.250 -8.105 214 HD3 LYS 31 HD1 LYS 31 -9.019 -12.470 -8.930 215 HE2 LYS 31 HE2 LYS 31 -9.447 -14.582 -10.219 216 HE3 LYS 31 HE1 LYS 31 -8.035 -15.369 -9.398 217 HZ1 LYS 31 HZ1 LYS 31 -10.096 -14.123 -7.729 218 HZ2 LYS 31 HZ2 LYS 31 -9.147 -15.506 -7.464 219 HZ3 LYS 31 HZ3 LYS 31 -10.478 -15.577 -8.517 220 H THR 32 HN THR 32 -7.354 -9.024 -11.814 221 HA THR 32 HA THR 32 -8.749 -10.514 -13.785 222 HB THR 32 HB THR 32 -8.539 -7.485 -13.441 223 HG1 THR 32 HG1 THR 32 -10.375 -9.442 -12.517 224 HG21 THR 32 HG21 THR 32 -9.301 -8.317 -15.738 225 HG22 THR 32 HG22 THR 32 -10.564 -7.380 -14.847 226 HG23 THR 32 HG23 THR 32 -10.653 -9.186 -14.919 227 H CYS 33 HN CYS 33 -5.997 -8.168 -13.815 228 HA CYS 33 HA CYS 33 -5.904 -7.976 -16.622 229 HB2 CYS 33 HB2 CYS 33 -4.553 -6.638 -14.712 230 HB3 CYS 33 HB1 CYS 33 -3.358 -7.948 -14.976 231 H GLY 34 HN GLY 34 -4.425 -10.249 -14.217 232 HA2 GLY 34 HA2 GLY 34 -4.048 -12.472 -14.726 233 HA3 GLY 34 HA1 GLY 34 -3.978 -12.038 -16.494 234 H GLU 35 HN GLU 35 -2.398 -10.223 -13.837 235 HA GLU 35 HA GLU 35 0.047 -10.254 -15.241 236 HB2 GLU 35 HB2 GLU 35 -0.581 -9.622 -12.296 237 HB3 GLU 35 HB1 GLU 35 1.054 -9.427 -13.023 238 HG2 GLU 35 HG2 GLU 35 -1.506 -7.951 -13.946 239 HG3 GLU 35 HG1 GLU 35 -0.161 -7.247 -12.965 240 H CYS 36 HN CYS 36 -1.353 -12.191 -12.541 241 HA CYS 36 HA CYS 36 0.825 -14.086 -13.042 242 HB2 CYS 36 HB2 CYS 36 1.069 -14.617 -10.653 243 HB3 CYS 36 HB1 CYS 36 1.343 -12.854 -10.874 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 0.997 -13.048 -6.204 2 H2 ALA 1 HT2 ALA 1 1.728 -12.780 -7.714 3 H3 ALA 1 HT3 ALA 1 0.290 -13.681 -7.614 4 HA ALA 1 HA ALA 1 0.134 -11.049 -6.482 5 HB1 ALA 1 HB1 ALA 1 0.359 -11.419 -9.524 6 HB2 ALA 1 HB2 ALA 1 1.608 -10.623 -8.494 7 HB3 ALA 1 HB3 ALA 1 -0.024 -9.873 -8.677 8 H CYS 2 HN CYS 2 -1.366 -13.529 -6.253 9 HA CYS 2 HA CYS 2 -3.636 -13.089 -8.014 10 HB2 CYS 2 HB2 CYS 2 -2.855 -15.257 -6.012 11 HB3 CYS 2 HB1 CYS 2 -4.586 -15.039 -6.442 12 H LYS 3 HN LYS 3 -3.968 -10.872 -7.069 13 HA LYS 3 HA LYS 3 -5.888 -11.090 -4.979 14 HB2 LYS 3 HB2 LYS 3 -4.839 -9.492 -3.398 15 HB3 LYS 3 HB1 LYS 3 -3.798 -10.950 -3.571 16 HG2 LYS 3 HG2 LYS 3 -2.380 -9.727 -5.247 17 HG3 LYS 3 HG1 LYS 3 -3.397 -8.264 -5.024 18 HD2 LYS 3 HD2 LYS 3 -2.774 -8.204 -2.603 19 HD3 LYS 3 HD1 LYS 3 -1.758 -9.668 -2.827 20 HE2 LYS 3 HE2 LYS 3 -0.301 -8.417 -4.445 21 HE3 LYS 3 HE1 LYS 3 -1.331 -6.941 -4.227 22 HZ1 LYS 3 HZ1 LYS 3 0.310 -8.337 -2.180 23 HZ2 LYS 3 HZ2 LYS 3 -0.794 -7.095 -1.832 24 HZ3 LYS 3 HZ3 LYS 3 0.543 -6.788 -2.832 25 H ASP 4 HN ASP 4 -6.925 -8.853 -4.633 26 HA ASP 4 HA ASP 4 -6.167 -6.933 -6.610 27 HB2 ASP 4 HB2 ASP 4 -8.680 -6.805 -7.358 28 HB3 ASP 4 HB1 ASP 4 -7.650 -8.072 -8.101 29 H ASN 5 HN ASN 5 -7.214 -4.828 -6.182 30 HA ASN 5 HA ASN 5 -8.258 -4.806 -3.435 31 HB2 ASN 5 HB2 ASN 5 -7.141 -2.484 -5.125 32 HB3 ASN 5 HB1 ASN 5 -7.716 -2.359 -3.420 33 HD21 ASN 5 HD21 ASN 5 -4.977 -2.045 -4.948 34 HD22 ASN 5 HD22 ASN 5 -3.865 -2.926 -3.947 35 H LEU 6 HN LEU 6 -8.855 -4.151 -6.848 36 HA LEU 6 HA LEU 6 -11.350 -2.841 -6.149 37 HB2 LEU 6 HB2 LEU 6 -10.081 -3.390 -8.906 38 HB3 LEU 6 HB1 LEU 6 -11.592 -2.462 -8.625 39 HG LEU 6 HG LEU 6 -8.905 -1.649 -7.432 40 HD11 LEU 6 HD11 LEU 6 -9.381 0.199 -9.454 41 HD12 LEU 6 HD12 LEU 6 -9.896 -1.350 -10.223 42 HD13 LEU 6 HD13 LEU 6 -8.226 -1.187 -9.551 43 HD21 LEU 6 HD21 LEU 6 -10.698 -0.599 -6.227 44 HD22 LEU 6 HD22 LEU 6 -11.613 -0.241 -7.741 45 HD23 LEU 6 HD23 LEU 6 -10.084 0.648 -7.378 46 HA PRO 7 HA PRO 7 -13.599 -6.512 -6.737 47 HB2 PRO 7 HB2 PRO 7 -15.876 -5.577 -7.998 48 HB3 PRO 7 HB1 PRO 7 -15.541 -5.356 -6.227 49 HG2 PRO 7 HG2 PRO 7 -15.146 -3.425 -8.535 50 HG3 PRO 7 HG1 PRO 7 -15.769 -3.113 -6.873 51 HD2 PRO 7 HD2 PRO 7 -13.183 -2.515 -7.623 52 HD3 PRO 7 HD1 PRO 7 -13.618 -3.017 -5.935 53 H ALA 8 HN ALA 8 -14.434 -8.031 -8.311 54 HA ALA 8 HA ALA 8 -12.847 -8.022 -10.613 55 HB1 ALA 8 HB1 ALA 8 -15.409 -9.653 -10.189 56 HB2 ALA 8 HB2 ALA 8 -13.808 -10.132 -9.506 57 HB3 ALA 8 HB3 ALA 8 -14.041 -10.054 -11.295 58 H ALA 9 HN ALA 9 -16.224 -7.031 -9.923 59 HA ALA 9 HA ALA 9 -16.997 -6.832 -12.609 60 HB1 ALA 9 HB1 ALA 9 -18.814 -6.633 -11.036 61 HB2 ALA 9 HB2 ALA 9 -18.612 -4.969 -11.706 62 HB3 ALA 9 HB3 ALA 9 -17.935 -5.379 -10.084 63 H THR 10 HN THR 10 -15.335 -4.507 -10.371 64 HA THR 10 HA THR 10 -15.418 -2.433 -12.339 65 HB THR 10 HB THR 10 -13.668 -2.771 -9.862 66 HG1 THR 10 HG1 THR 10 -15.641 -0.825 -10.271 67 HG21 THR 10 HG21 THR 10 -12.389 -1.357 -11.287 68 HG22 THR 10 HG22 THR 10 -13.374 -0.187 -10.330 69 HG23 THR 10 HG23 THR 10 -13.855 -0.602 -12.018 70 H CYS 11 HN CYS 11 -13.014 -4.904 -11.246 71 HA CYS 11 HA CYS 11 -10.958 -3.925 -12.887 72 HB2 CYS 11 HB2 CYS 11 -11.544 -6.770 -11.917 73 HB3 CYS 11 HB1 CYS 11 -10.064 -6.307 -12.816 74 H SER 12 HN SER 12 -13.838 -5.883 -13.524 75 HA SER 12 HA SER 12 -12.957 -6.922 -15.986 76 HB2 SER 12 HB2 SER 12 -15.806 -6.276 -15.031 77 HB3 SER 12 HB1 SER 12 -15.414 -7.185 -16.544 78 HG SER 12 HG SER 12 -14.693 -7.899 -13.885 79 H ASN 13 HN ASN 13 -14.652 -3.951 -14.943 80 HA ASN 13 HA ASN 13 -14.983 -3.030 -17.605 81 HB2 ASN 13 HB2 ASN 13 -14.995 -1.592 -14.898 82 HB3 ASN 13 HB1 ASN 13 -15.250 -0.728 -16.454 83 HD21 ASN 13 HD21 ASN 13 -17.165 -0.807 -14.315 84 HD22 ASN 13 HD22 ASN 13 -18.566 -1.659 -14.869 85 H VAL 14 HN VAL 14 -12.481 -2.845 -15.069 86 HA VAL 14 HA VAL 14 -10.938 -0.826 -16.256 87 HB VAL 14 HB VAL 14 -10.201 -3.221 -14.525 88 HG11 VAL 14 HG11 VAL 14 -8.293 -0.871 -14.836 89 HG12 VAL 14 HG12 VAL 14 -8.386 -2.008 -16.223 90 HG13 VAL 14 HG13 VAL 14 -7.937 -2.620 -14.596 91 HG21 VAL 14 HG21 VAL 14 -10.262 -0.228 -13.844 92 HG22 VAL 14 HG22 VAL 14 -10.227 -1.634 -12.718 93 HG23 VAL 14 HG23 VAL 14 -11.706 -1.287 -13.681 94 H LYS 15 HN LYS 15 -10.960 -4.396 -16.523 95 HA LYS 15 HA LYS 15 -8.862 -4.433 -18.377 96 HB2 LYS 15 HB2 LYS 15 -9.444 -6.487 -17.216 97 HB3 LYS 15 HB1 LYS 15 -11.149 -6.365 -17.791 98 HG2 LYS 15 HG2 LYS 15 -9.875 -8.050 -19.069 99 HG3 LYS 15 HG1 LYS 15 -10.424 -6.694 -20.118 100 HD2 LYS 15 HD2 LYS 15 -8.197 -5.682 -20.076 101 HD3 LYS 15 HD1 LYS 15 -7.621 -6.892 -18.873 102 HE2 LYS 15 HE2 LYS 15 -7.959 -8.729 -20.557 103 HE3 LYS 15 HE1 LYS 15 -8.528 -7.505 -21.768 104 HZ1 LYS 15 HZ1 LYS 15 -6.351 -6.390 -21.421 105 HZ2 LYS 15 HZ2 LYS 15 -6.267 -7.924 -22.143 106 HZ3 LYS 15 HZ3 LYS 15 -5.847 -7.729 -20.510 107 H ALA 16 HN ALA 16 -12.430 -4.208 -18.590 108 HA ALA 16 HA ALA 16 -12.403 -4.431 -21.451 109 HB1 ALA 16 HB1 ALA 16 -14.468 -4.908 -19.968 110 HB2 ALA 16 HB2 ALA 16 -14.774 -3.844 -21.391 111 HB3 ALA 16 HB3 ALA 16 -14.594 -3.123 -19.747 112 H ASN 17 HN ASN 17 -11.127 -2.120 -19.440 113 HA ASN 17 HA ASN 17 -11.870 0.005 -21.346 114 HB2 ASN 17 HB2 ASN 17 -11.429 0.033 -18.361 115 HB3 ASN 17 HB1 ASN 17 -10.645 1.376 -19.277 116 HD21 ASN 17 HD21 ASN 17 -13.753 -0.172 -18.411 117 HD22 ASN 17 HD22 ASN 17 -14.765 1.172 -18.845 118 H ASN 18 HN ASN 18 -9.552 -2.288 -20.470 119 HA ASN 18 HA ASN 18 -7.409 -2.495 -21.099 120 HB2 ASN 18 HB2 ASN 18 -8.305 -1.027 -23.216 121 HB3 ASN 18 HB1 ASN 18 -7.250 0.221 -22.458 122 HD21 ASN 18 HD21 ASN 18 -7.375 -2.864 -24.192 123 HD22 ASN 18 HD22 ASN 18 -5.672 -3.017 -24.476 124 H ASN 19 HN ASN 19 -8.535 -0.799 -18.745 125 HA ASN 19 HA ASN 19 -6.413 1.107 -18.368 126 HB2 ASN 19 HB2 ASN 19 -8.668 0.097 -16.556 127 HB3 ASN 19 HB1 ASN 19 -7.387 1.207 -15.958 128 HD21 ASN 19 HD21 ASN 19 -10.178 1.837 -15.970 129 HD22 ASN 19 HD22 ASN 19 -10.437 3.152 -17.068 130 H CYS 20 HN CYS 20 -6.818 -2.277 -18.184 131 HA CYS 20 HA CYS 20 -5.239 -2.754 -15.863 132 HB2 CYS 20 HB2 CYS 20 -6.595 -4.376 -17.852 133 HB3 CYS 20 HB1 CYS 20 -4.863 -4.859 -17.845 134 H SER 21 HN SER 21 -4.552 -1.228 -18.796 135 HA SER 21 HA SER 21 -1.853 -2.312 -18.922 136 HB2 SER 21 HB2 SER 21 -3.234 -0.165 -20.655 137 HB3 SER 21 HB1 SER 21 -1.563 -0.805 -20.925 138 HG SER 21 HG SER 21 -3.762 -1.734 -21.894 139 H SER 22 HN SER 22 -3.540 -0.189 -17.001 140 HA SER 22 HA SER 22 -1.403 1.811 -17.048 141 HB2 SER 22 HB2 SER 22 -3.769 2.716 -16.998 142 HB3 SER 22 HB1 SER 22 -4.057 1.784 -15.475 143 HG SER 22 HG SER 22 -3.094 4.183 -15.717 144 H GLU 23 HN GLU 23 -0.236 2.303 -15.042 145 HA GLU 23 HA GLU 23 0.177 -0.081 -13.520 146 HB2 GLU 23 HB2 GLU 23 1.248 2.774 -13.130 147 HB3 GLU 23 HB1 GLU 23 1.753 1.357 -12.141 148 HG2 GLU 23 HG2 GLU 23 2.684 0.223 -14.172 149 HG3 GLU 23 HG1 GLU 23 2.146 1.615 -15.196 150 H LYS 24 HN LYS 24 -2.186 2.312 -13.532 151 HA LYS 24 HA LYS 24 -2.375 2.594 -10.720 152 HB2 LYS 24 HB2 LYS 24 -3.233 4.370 -12.315 153 HB3 LYS 24 HB1 LYS 24 -4.455 3.176 -12.892 154 HG2 LYS 24 HG2 LYS 24 -5.419 3.039 -10.624 155 HG3 LYS 24 HG1 LYS 24 -4.184 4.183 -10.010 156 HD2 LYS 24 HD2 LYS 24 -5.044 5.944 -11.564 157 HD3 LYS 24 HD1 LYS 24 -6.283 4.795 -12.179 158 HE2 LYS 24 HE2 LYS 24 -7.303 4.659 -9.889 159 HE3 LYS 24 HE1 LYS 24 -6.046 5.806 -9.261 160 HZ1 LYS 24 HZ1 LYS 24 -8.439 6.491 -10.264 161 HZ2 LYS 24 HZ2 LYS 24 -7.442 6.717 -11.620 162 HZ3 LYS 24 HZ3 LYS 24 -7.088 7.515 -10.163 163 H TYR 25 HN TYR 25 -3.542 0.391 -13.261 164 HA TYR 25 HA TYR 25 -5.185 -0.870 -11.181 165 HB2 TYR 25 HB2 TYR 25 -5.493 -0.876 -14.215 166 HB3 TYR 25 HB1 TYR 25 -6.415 -1.971 -13.110 167 HD1 TYR 25 HD1 TYR 25 -5.751 1.585 -13.948 168 HD2 TYR 25 HD2 TYR 25 -8.281 -1.215 -12.007 169 HE1 TYR 25 HE1 TYR 25 -7.431 3.329 -13.600 170 HE2 TYR 25 HE2 TYR 25 -9.951 0.527 -11.663 171 HH TYR 25 HH TYR 25 -9.506 3.545 -11.633 172 H LYS 26 HN LYS 26 -2.239 -1.046 -12.827 173 HA LYS 26 HA LYS 26 -2.336 -3.905 -13.215 174 HB2 LYS 26 HB2 LYS 26 -0.450 -1.731 -13.870 175 HB3 LYS 26 HB1 LYS 26 0.398 -3.106 -13.090 176 HG2 LYS 26 HG2 LYS 26 -0.352 -4.657 -14.776 177 HG3 LYS 26 HG1 LYS 26 -1.530 -3.479 -15.438 178 HD2 LYS 26 HD2 LYS 26 0.172 -2.135 -16.430 179 HD3 LYS 26 HD1 LYS 26 1.465 -2.851 -15.406 180 HE2 LYS 26 HE2 LYS 26 1.619 -3.706 -17.749 181 HE3 LYS 26 HE1 LYS 26 1.180 -5.058 -16.623 182 HZ1 LYS 26 HZ1 LYS 26 -0.556 -5.392 -17.891 183 HZ2 LYS 26 HZ2 LYS 26 -0.233 -4.023 -18.841 184 HZ3 LYS 26 HZ3 LYS 26 -1.195 -3.881 -17.443 185 H THR 27 HN THR 27 -2.345 -1.914 -10.540 186 HA THR 27 HA THR 27 -0.848 -3.932 -9.041 187 HB THR 27 HB THR 27 0.368 -1.698 -9.107 188 HG1 THR 27 HG1 THR 27 -0.729 -2.698 -6.704 189 HG21 THR 27 HG21 THR 27 -1.962 -0.492 -9.163 190 HG22 THR 27 HG22 THR 27 -0.629 0.249 -8.200 191 HG23 THR 27 HG23 THR 27 -1.923 -0.692 -7.372 192 H ASN 28 HN ASN 28 -3.847 -2.826 -9.859 193 HA ASN 28 HA ASN 28 -4.807 -3.293 -7.124 194 HB2 ASN 28 HB2 ASN 28 -5.796 -1.325 -9.243 195 HB3 ASN 28 HB1 ASN 28 -6.922 -1.972 -7.995 196 HD21 ASN 28 HD21 ASN 28 -3.762 -0.250 -8.433 197 HD22 ASN 28 HD22 ASN 28 -3.856 0.652 -6.950 198 H CYS 29 HN CYS 29 -4.998 -3.892 -10.631 199 HA CYS 29 HA CYS 29 -6.952 -6.002 -9.990 200 HB2 CYS 29 HB2 CYS 29 -6.736 -4.310 -12.556 201 HB3 CYS 29 HB1 CYS 29 -7.720 -5.805 -12.419 202 H ALA 30 HN ALA 30 -4.270 -6.473 -9.644 203 HA ALA 30 HA ALA 30 -2.926 -7.167 -12.007 204 HB1 ALA 30 HB1 ALA 30 -1.796 -8.924 -10.263 205 HB2 ALA 30 HB2 ALA 30 -2.597 -7.828 -9.076 206 HB3 ALA 30 HB3 ALA 30 -1.384 -7.169 -10.237 207 H LYS 31 HN LYS 31 -5.217 -8.928 -9.862 208 HA LYS 31 HA LYS 31 -4.767 -11.454 -10.986 209 HB2 LYS 31 HB2 LYS 31 -6.131 -11.010 -8.867 210 HB3 LYS 31 HB1 LYS 31 -7.434 -10.371 -9.929 211 HG2 LYS 31 HG2 LYS 31 -7.576 -12.585 -11.088 212 HG3 LYS 31 HG1 LYS 31 -6.290 -13.225 -10.005 213 HD2 LYS 31 HD2 LYS 31 -7.751 -12.770 -8.019 214 HD3 LYS 31 HD1 LYS 31 -9.038 -12.150 -9.112 215 HE2 LYS 31 HE2 LYS 31 -9.199 -14.408 -10.209 216 HE3 LYS 31 HE1 LYS 31 -7.898 -15.032 -9.111 217 HZ1 LYS 31 HZ1 LYS 31 -10.673 -14.690 -8.633 218 HZ2 LYS 31 HZ2 LYS 31 -9.769 -13.827 -7.484 219 HZ3 LYS 31 HZ3 LYS 31 -9.496 -15.487 -7.706 220 H THR 32 HN THR 32 -7.018 -8.753 -11.890 221 HA THR 32 HA THR 32 -8.202 -10.296 -13.989 222 HB THR 32 HB THR 32 -8.147 -7.271 -13.570 223 HG1 THR 32 HG1 THR 32 -9.998 -9.326 -12.943 224 HG21 THR 32 HG21 THR 32 -8.576 -7.868 -15.954 225 HG22 THR 32 HG22 THR 32 -10.109 -7.296 -15.177 226 HG23 THR 32 HG23 THR 32 -9.830 -9.065 -15.446 227 H CYS 33 HN CYS 33 -5.511 -7.909 -13.690 228 HA CYS 33 HA CYS 33 -5.137 -7.594 -16.448 229 HB2 CYS 33 HB2 CYS 33 -3.107 -7.537 -14.145 230 HB3 CYS 33 HB1 CYS 33 -2.688 -7.122 -15.839 231 H GLY 34 HN GLY 34 -3.925 -10.062 -14.071 232 HA2 GLY 34 HA2 GLY 34 -3.743 -12.290 -14.848 233 HA3 GLY 34 HA1 GLY 34 -3.210 -11.637 -16.458 234 H GLU 35 HN GLU 35 -2.094 -10.086 -13.491 235 HA GLU 35 HA GLU 35 0.588 -10.602 -14.259 236 HB2 GLU 35 HB2 GLU 35 -0.598 -9.562 -11.622 237 HB3 GLU 35 HB1 GLU 35 1.170 -9.698 -11.927 238 HG2 GLU 35 HG2 GLU 35 -0.810 -7.961 -13.556 239 HG3 GLU 35 HG1 GLU 35 0.383 -7.368 -12.331 240 H CYS 36 HN CYS 36 -1.770 -12.025 -11.952 241 HA CYS 36 HA CYS 36 0.150 -13.679 -10.687 242 HB2 CYS 36 HB2 CYS 36 -2.395 -13.130 -9.997 243 HB3 CYS 36 HB1 CYS 36 -2.747 -14.545 -11.044 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 2.764 -12.084 -6.979 2 H2 ALA 1 HT2 ALA 1 1.225 -12.796 -6.882 3 H3 ALA 1 HT3 ALA 1 1.655 -11.552 -5.807 4 HA ALA 1 HA ALA 1 1.279 -9.938 -7.266 5 HB1 ALA 1 HB1 ALA 1 1.953 -11.883 -9.547 6 HB2 ALA 1 HB2 ALA 1 3.128 -10.736 -8.800 7 HB3 ALA 1 HB3 ALA 1 1.709 -10.103 -9.717 8 H CYS 2 HN CYS 2 -0.586 -12.009 -6.226 9 HA CYS 2 HA CYS 2 -2.625 -11.660 -8.304 10 HB2 CYS 2 HB2 CYS 2 -1.617 -14.180 -7.569 11 HB3 CYS 2 HB1 CYS 2 -3.018 -13.975 -6.463 12 H LYS 3 HN LYS 3 -4.130 -10.243 -7.499 13 HA LYS 3 HA LYS 3 -5.310 -10.745 -5.000 14 HB2 LYS 3 HB2 LYS 3 -4.671 -8.609 -3.828 15 HB3 LYS 3 HB1 LYS 3 -3.272 -9.726 -3.999 16 HG2 LYS 3 HG2 LYS 3 -2.694 -8.427 -6.177 17 HG3 LYS 3 HG1 LYS 3 -3.890 -7.200 -5.632 18 HD2 LYS 3 HD2 LYS 3 -1.473 -8.146 -3.971 19 HD3 LYS 3 HD1 LYS 3 -1.483 -6.679 -5.008 20 HE2 LYS 3 HE2 LYS 3 -3.385 -5.741 -3.632 21 HE3 LYS 3 HE1 LYS 3 -3.309 -7.204 -2.563 22 HZ1 LYS 3 HZ1 LYS 3 -2.084 -5.335 -1.681 23 HZ2 LYS 3 HZ2 LYS 3 -1.088 -5.283 -3.056 24 HZ3 LYS 3 HZ3 LYS 3 -1.047 -6.633 -2.028 25 H ASP 4 HN ASP 4 -6.923 -8.842 -4.494 26 HA ASP 4 HA ASP 4 -7.414 -7.329 -6.937 27 HB2 ASP 4 HB2 ASP 4 -9.659 -8.786 -5.431 28 HB3 ASP 4 HB1 ASP 4 -9.809 -7.844 -6.959 29 H ASN 5 HN ASN 5 -7.313 -5.220 -6.239 30 HA ASN 5 HA ASN 5 -8.241 -4.746 -3.500 31 HB2 ASN 5 HB2 ASN 5 -6.687 -2.981 -5.480 32 HB3 ASN 5 HB1 ASN 5 -7.302 -2.388 -3.895 33 HD21 ASN 5 HD21 ASN 5 -4.522 -2.440 -4.737 34 HD22 ASN 5 HD22 ASN 5 -3.671 -3.498 -3.661 35 H LEU 6 HN LEU 6 -9.330 -4.862 -6.674 36 HA LEU 6 HA LEU 6 -11.431 -2.942 -6.019 37 HB2 LEU 6 HB2 LEU 6 -10.209 -3.515 -8.794 38 HB3 LEU 6 HB1 LEU 6 -11.664 -2.505 -8.506 39 HG LEU 6 HG LEU 6 -8.929 -1.894 -7.302 40 HD11 LEU 6 HD11 LEU 6 -9.039 0.026 -9.135 41 HD12 LEU 6 HD12 LEU 6 -10.108 -1.143 -9.998 42 HD13 LEU 6 HD13 LEU 6 -8.419 -1.616 -9.564 43 HD21 LEU 6 HD21 LEU 6 -10.563 -0.761 -5.998 44 HD22 LEU 6 HD22 LEU 6 -11.583 -0.377 -7.437 45 HD23 LEU 6 HD23 LEU 6 -10.015 0.481 -7.189 46 HA PRO 7 HA PRO 7 -14.084 -6.311 -6.708 47 HB2 PRO 7 HB2 PRO 7 -16.202 -5.120 -8.039 48 HB3 PRO 7 HB1 PRO 7 -15.910 -4.963 -6.254 49 HG2 PRO 7 HG2 PRO 7 -15.224 -3.052 -8.510 50 HG3 PRO 7 HG1 PRO 7 -15.862 -2.698 -6.862 51 HD2 PRO 7 HD2 PRO 7 -13.209 -2.376 -7.515 52 HD3 PRO 7 HD1 PRO 7 -13.746 -2.866 -5.856 53 H ALA 8 HN ALA 8 -15.028 -7.730 -8.310 54 HA ALA 8 HA ALA 8 -13.384 -7.887 -10.566 55 HB1 ALA 8 HB1 ALA 8 -14.699 -9.808 -11.251 56 HB2 ALA 8 HB2 ALA 8 -16.122 -9.231 -10.301 57 HB3 ALA 8 HB3 ALA 8 -14.659 -9.857 -9.448 58 H ALA 9 HN ALA 9 -16.652 -6.544 -9.961 59 HA ALA 9 HA ALA 9 -17.335 -6.263 -12.661 60 HB1 ALA 9 HB1 ALA 9 -18.140 -4.598 -10.211 61 HB2 ALA 9 HB2 ALA 9 -19.109 -5.893 -11.012 62 HB3 ALA 9 HB3 ALA 9 -18.828 -4.323 -11.856 63 H THR 10 HN THR 10 -15.458 -4.145 -10.392 64 HA THR 10 HA THR 10 -15.286 -2.063 -12.348 65 HB THR 10 HB THR 10 -13.634 -2.607 -9.840 66 HG1 THR 10 HG1 THR 10 -15.147 -0.350 -10.059 67 HG21 THR 10 HG21 THR 10 -12.174 -1.370 -11.278 68 HG22 THR 10 HG22 THR 10 -12.981 -0.104 -10.275 69 HG23 THR 10 HG23 THR 10 -13.531 -0.399 -11.969 70 H CYS 11 HN CYS 11 -13.122 -4.731 -11.191 71 HA CYS 11 HA CYS 11 -10.967 -3.986 -12.821 72 HB2 CYS 11 HB2 CYS 11 -11.849 -6.759 -11.855 73 HB3 CYS 11 HB1 CYS 11 -10.316 -6.448 -12.728 74 H SER 12 HN SER 12 -13.963 -5.792 -13.474 75 HA SER 12 HA SER 12 -13.149 -6.857 -15.938 76 HB2 SER 12 HB2 SER 12 -15.953 -6.037 -14.985 77 HB3 SER 12 HB1 SER 12 -15.620 -6.954 -16.508 78 HG SER 12 HG SER 12 -15.034 -7.724 -13.835 79 H ASN 13 HN ASN 13 -14.657 -3.765 -14.930 80 HA ASN 13 HA ASN 13 -14.917 -2.857 -17.609 81 HB2 ASN 13 HB2 ASN 13 -14.994 -1.500 -14.880 82 HB3 ASN 13 HB1 ASN 13 -14.912 -0.505 -16.376 83 HD21 ASN 13 HD21 ASN 13 -16.929 -2.482 -14.294 84 HD22 ASN 13 HD22 ASN 13 -18.405 -2.307 -15.182 85 H VAL 14 HN VAL 14 -12.419 -2.789 -15.070 86 HA VAL 14 HA VAL 14 -10.760 -0.876 -16.279 87 HB VAL 14 HB VAL 14 -10.162 -3.285 -14.519 88 HG11 VAL 14 HG11 VAL 14 -8.217 -2.553 -16.089 89 HG12 VAL 14 HG12 VAL 14 -7.863 -2.464 -14.328 90 HG13 VAL 14 HG13 VAL 14 -8.245 -0.963 -15.245 91 HG21 VAL 14 HG21 VAL 14 -10.079 -0.292 -13.867 92 HG22 VAL 14 HG22 VAL 14 -10.139 -1.688 -12.732 93 HG23 VAL 14 HG23 VAL 14 -11.581 -1.266 -13.720 94 H LYS 15 HN LYS 15 -11.010 -4.441 -16.506 95 HA LYS 15 HA LYS 15 -8.900 -4.621 -18.349 96 HB2 LYS 15 HB2 LYS 15 -9.576 -6.626 -17.155 97 HB3 LYS 15 HB1 LYS 15 -11.279 -6.427 -17.718 98 HG2 LYS 15 HG2 LYS 15 -10.058 -8.200 -18.967 99 HG3 LYS 15 HG1 LYS 15 -10.623 -6.864 -20.030 100 HD2 LYS 15 HD2 LYS 15 -8.400 -5.914 -20.168 101 HD3 LYS 15 HD1 LYS 15 -7.784 -6.990 -18.867 102 HE2 LYS 15 HE2 LYS 15 -7.026 -7.827 -21.079 103 HE3 LYS 15 HE1 LYS 15 -8.218 -8.999 -20.377 104 HZ1 LYS 15 HZ1 LYS 15 -9.611 -8.613 -22.019 105 HZ2 LYS 15 HZ2 LYS 15 -8.323 -7.863 -22.832 106 HZ3 LYS 15 HZ3 LYS 15 -9.433 -6.927 -21.953 107 H ALA 16 HN ALA 16 -12.456 -4.224 -18.557 108 HA ALA 16 HA ALA 16 -12.461 -4.513 -21.413 109 HB1 ALA 16 HB1 ALA 16 -14.545 -4.826 -19.926 110 HB2 ALA 16 HB2 ALA 16 -14.791 -3.753 -21.354 111 HB3 ALA 16 HB3 ALA 16 -14.551 -3.036 -19.717 112 H ASN 17 HN ASN 17 -11.078 -2.211 -19.437 113 HA ASN 17 HA ASN 17 -11.660 -0.112 -21.426 114 HB2 ASN 17 HB2 ASN 17 -11.224 -0.011 -18.436 115 HB3 ASN 17 HB1 ASN 17 -10.396 1.269 -19.401 116 HD21 ASN 17 HD21 ASN 17 -13.552 -0.124 -18.456 117 HD22 ASN 17 HD22 ASN 17 -14.516 1.238 -18.938 118 H ASN 18 HN ASN 18 -9.504 -2.513 -20.457 119 HA ASN 18 HA ASN 18 -7.356 -2.870 -20.981 120 HB2 ASN 18 HB2 ASN 18 -7.480 -0.312 -22.692 121 HB3 ASN 18 HB1 ASN 18 -6.201 -1.575 -22.771 122 HD21 ASN 18 HD21 ASN 18 -7.284 -3.944 -23.023 123 HD22 ASN 18 HD22 ASN 18 -8.429 -4.053 -24.318 124 H ASN 19 HN ASN 19 -8.372 -0.950 -18.779 125 HA ASN 19 HA ASN 19 -6.132 0.865 -18.575 126 HB2 ASN 19 HB2 ASN 19 -8.477 0.217 -16.707 127 HB3 ASN 19 HB1 ASN 19 -7.128 1.304 -16.220 128 HD21 ASN 19 HD21 ASN 19 -9.853 2.132 -16.334 129 HD22 ASN 19 HD22 ASN 19 -10.017 3.319 -17.584 130 H CYS 20 HN CYS 20 -6.635 -2.416 -18.224 131 HA CYS 20 HA CYS 20 -5.302 -2.843 -15.758 132 HB2 CYS 20 HB2 CYS 20 -6.517 -4.490 -17.789 133 HB3 CYS 20 HB1 CYS 20 -4.797 -4.998 -17.662 134 H SER 21 HN SER 21 -4.303 -1.534 -18.749 135 HA SER 21 HA SER 21 -1.625 -2.638 -18.513 136 HB2 SER 21 HB2 SER 21 -2.793 -0.580 -20.495 137 HB3 SER 21 HB1 SER 21 -1.102 -1.222 -20.547 138 HG SER 21 HG SER 21 -2.201 -2.481 -21.885 139 H SER 22 HN SER 22 -3.428 -0.414 -16.861 140 HA SER 22 HA SER 22 -1.283 1.574 -16.817 141 HB2 SER 22 HB2 SER 22 -3.648 2.477 -16.964 142 HB3 SER 22 HB1 SER 22 -4.037 1.606 -15.428 143 HG SER 22 HG SER 22 -3.066 3.994 -15.692 144 H GLU 23 HN GLU 23 -0.163 2.053 -14.821 145 HA GLU 23 HA GLU 23 0.100 -0.250 -13.174 146 HB2 GLU 23 HB2 GLU 23 1.169 2.611 -12.825 147 HB3 GLU 23 HB1 GLU 23 1.585 1.239 -11.735 148 HG2 GLU 23 HG2 GLU 23 2.659 0.004 -13.620 149 HG3 GLU 23 HG1 GLU 23 2.190 1.325 -14.764 150 H LYS 24 HN LYS 24 -2.256 2.125 -13.408 151 HA LYS 24 HA LYS 24 -2.618 2.525 -10.634 152 HB2 LYS 24 HB2 LYS 24 -3.412 4.209 -12.356 153 HB3 LYS 24 HB1 LYS 24 -4.573 2.966 -12.951 154 HG2 LYS 24 HG2 LYS 24 -5.686 2.917 -10.755 155 HG3 LYS 24 HG1 LYS 24 -4.503 4.093 -10.102 156 HD2 LYS 24 HD2 LYS 24 -5.269 5.788 -11.781 157 HD3 LYS 24 HD1 LYS 24 -6.462 4.607 -12.423 158 HE2 LYS 24 HE2 LYS 24 -6.422 5.634 -9.505 159 HE3 LYS 24 HE1 LYS 24 -7.493 6.277 -10.818 160 HZ1 LYS 24 HZ1 LYS 24 -7.416 3.482 -9.794 161 HZ2 LYS 24 HZ2 LYS 24 -8.392 4.042 -11.068 162 HZ3 LYS 24 HZ3 LYS 24 -8.614 4.648 -9.495 163 H TYR 25 HN TYR 25 -3.438 0.084 -13.048 164 HA TYR 25 HA TYR 25 -5.205 -1.076 -11.016 165 HB2 TYR 25 HB2 TYR 25 -5.434 -1.206 -14.055 166 HB3 TYR 25 HB1 TYR 25 -6.379 -2.254 -12.924 167 HD1 TYR 25 HD1 TYR 25 -5.800 1.199 -14.083 168 HD2 TYR 25 HD2 TYR 25 -8.185 -1.389 -11.719 169 HE1 TYR 25 HE1 TYR 25 -7.488 2.954 -13.848 170 HE2 TYR 25 HE2 TYR 25 -9.864 0.362 -11.489 171 HH TYR 25 HH TYR 25 -10.603 2.400 -12.739 172 H LYS 26 HN LYS 26 -2.194 -1.275 -12.542 173 HA LYS 26 HA LYS 26 -2.224 -4.129 -12.912 174 HB2 LYS 26 HB2 LYS 26 0.004 -2.034 -12.844 175 HB3 LYS 26 HB1 LYS 26 0.395 -3.784 -12.814 176 HG2 LYS 26 HG2 LYS 26 -0.862 -4.096 -14.960 177 HG3 LYS 26 HG1 LYS 26 -1.209 -2.335 -15.001 178 HD2 LYS 26 HD2 LYS 26 1.203 -1.818 -15.143 179 HD3 LYS 26 HD1 LYS 26 1.619 -3.555 -14.957 180 HE2 LYS 26 HE2 LYS 26 0.474 -4.067 -17.131 181 HE3 LYS 26 HE1 LYS 26 0.048 -2.318 -17.314 182 HZ1 LYS 26 HZ1 LYS 26 2.817 -3.366 -17.043 183 HZ2 LYS 26 HZ2 LYS 26 2.344 -1.773 -17.392 184 HZ3 LYS 26 HZ3 LYS 26 2.050 -3.011 -18.515 185 H THR 27 HN THR 27 -2.297 -2.044 -10.222 186 HA THR 27 HA THR 27 -1.074 -4.164 -8.610 187 HB THR 27 HB THR 27 0.283 -2.041 -8.550 188 HG1 THR 27 HG1 THR 27 -1.153 -2.855 -6.255 189 HG21 THR 27 HG21 THR 27 -2.025 -0.727 -8.856 190 HG22 THR 27 HG22 THR 27 -0.654 0.013 -7.947 191 HG23 THR 27 HG23 THR 27 -2.018 -0.756 -7.054 192 H ASN 28 HN ASN 28 -3.945 -3.231 -9.667 193 HA ASN 28 HA ASN 28 -5.109 -3.492 -6.991 194 HB2 ASN 28 HB2 ASN 28 -5.923 -1.582 -9.236 195 HB3 ASN 28 HB1 ASN 28 -7.108 -2.133 -8.001 196 HD21 ASN 28 HD21 ASN 28 -3.876 -0.536 -8.396 197 HD22 ASN 28 HD22 ASN 28 -3.995 0.442 -6.967 198 H CYS 29 HN CYS 29 -5.161 -4.080 -10.524 199 HA CYS 29 HA CYS 29 -7.091 -6.227 -9.947 200 HB2 CYS 29 HB2 CYS 29 -6.943 -4.477 -12.477 201 HB3 CYS 29 HB1 CYS 29 -7.937 -5.961 -12.323 202 H ALA 30 HN ALA 30 -4.340 -6.573 -9.687 203 HA ALA 30 HA ALA 30 -3.063 -7.187 -12.106 204 HB1 ALA 30 HB1 ALA 30 -1.557 -7.072 -10.252 205 HB2 ALA 30 HB2 ALA 30 -1.691 -8.844 -10.562 206 HB3 ALA 30 HB3 ALA 30 -2.635 -8.087 -9.223 207 H LYS 31 HN LYS 31 -5.221 -9.060 -9.920 208 HA LYS 31 HA LYS 31 -4.730 -11.546 -11.117 209 HB2 LYS 31 HB2 LYS 31 -6.021 -11.214 -8.942 210 HB3 LYS 31 HB1 LYS 31 -7.377 -10.565 -9.927 211 HG2 LYS 31 HG2 LYS 31 -7.524 -12.734 -11.156 212 HG3 LYS 31 HG1 LYS 31 -6.181 -13.384 -10.153 213 HD2 LYS 31 HD2 LYS 31 -7.559 -13.047 -8.096 214 HD3 LYS 31 HD1 LYS 31 -8.901 -12.394 -9.099 215 HE2 LYS 31 HE2 LYS 31 -9.090 -14.599 -10.291 216 HE3 LYS 31 HE1 LYS 31 -7.731 -15.257 -9.286 217 HZ1 LYS 31 HZ1 LYS 31 -10.492 -14.910 -8.651 218 HZ2 LYS 31 HZ2 LYS 31 -9.488 -14.186 -7.488 219 HZ3 LYS 31 HZ3 LYS 31 -9.292 -15.828 -7.876 220 H THR 32 HN THR 32 -7.085 -8.896 -11.860 221 HA THR 32 HA THR 32 -8.324 -10.398 -13.949 222 HB THR 32 HB THR 32 -8.247 -7.372 -13.516 223 HG1 THR 32 HG1 THR 32 -9.984 -9.451 -12.705 224 HG21 THR 32 HG21 THR 32 -10.113 -9.139 -15.236 225 HG22 THR 32 HG22 THR 32 -8.818 -8.061 -15.876 226 HG23 THR 32 HG23 THR 32 -10.248 -7.346 -15.025 227 H CYS 33 HN CYS 33 -5.616 -8.055 -13.661 228 HA CYS 33 HA CYS 33 -5.299 -7.643 -16.408 229 HB2 CYS 33 HB2 CYS 33 -3.206 -7.726 -14.161 230 HB3 CYS 33 HB1 CYS 33 -2.845 -7.204 -15.837 231 H GLY 34 HN GLY 34 -4.124 -10.222 -14.147 232 HA2 GLY 34 HA2 GLY 34 -3.899 -12.414 -14.921 233 HA3 GLY 34 HA1 GLY 34 -3.536 -11.766 -16.581 234 H GLU 35 HN GLU 35 -2.165 -10.190 -13.733 235 HA GLU 35 HA GLU 35 0.434 -10.611 -14.756 236 HB2 GLU 35 HB2 GLU 35 -0.526 -9.702 -11.979 237 HB3 GLU 35 HB1 GLU 35 1.212 -9.786 -12.447 238 HG2 GLU 35 HG2 GLU 35 0.666 -8.189 -14.407 239 HG3 GLU 35 HG1 GLU 35 -0.963 -7.969 -13.650 240 H CYS 36 HN CYS 36 -1.607 -12.181 -12.235 241 HA CYS 36 HA CYS 36 0.598 -13.999 -11.676 242 HB2 CYS 36 HB2 CYS 36 -1.214 -15.128 -10.147 243 HB3 CYS 36 HB1 CYS 36 -0.570 -13.530 -9.640 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 2.636 -10.552 -7.365 2 H2 ALA 1 HT2 ALA 1 2.069 -9.675 -6.025 3 H3 ALA 1 HT3 ALA 1 3.151 -8.951 -7.116 4 HA ALA 1 HA ALA 1 0.768 -8.286 -7.313 5 HB1 ALA 1 HB1 ALA 1 0.817 -8.354 -9.845 6 HB2 ALA 1 HB2 ALA 1 2.177 -9.537 -9.741 7 HB3 ALA 1 HB3 ALA 1 2.402 -7.848 -9.146 8 H CYS 2 HN CYS 2 -0.929 -9.538 -6.380 9 HA CYS 2 HA CYS 2 -2.106 -11.362 -8.234 10 HB2 CYS 2 HB2 CYS 2 -0.357 -12.685 -6.622 11 HB3 CYS 2 HB1 CYS 2 -1.724 -12.526 -5.466 12 H LYS 3 HN LYS 3 -4.299 -12.175 -7.212 13 HA LYS 3 HA LYS 3 -6.220 -11.625 -6.222 14 HB2 LYS 3 HB2 LYS 3 -4.512 -9.990 -4.252 15 HB3 LYS 3 HB1 LYS 3 -6.248 -10.404 -4.038 16 HG2 LYS 3 HG2 LYS 3 -5.692 -12.823 -3.965 17 HG3 LYS 3 HG1 LYS 3 -3.955 -12.446 -4.231 18 HD2 LYS 3 HD2 LYS 3 -3.917 -11.148 -2.101 19 HD3 LYS 3 HD1 LYS 3 -5.650 -11.530 -1.834 20 HE2 LYS 3 HE2 LYS 3 -5.105 -13.977 -1.728 21 HE3 LYS 3 HE1 LYS 3 -3.354 -13.598 -2.010 22 HZ1 LYS 3 HZ1 LYS 3 -5.049 -12.802 0.298 23 HZ2 LYS 3 HZ2 LYS 3 -3.491 -12.191 0.011 24 HZ3 LYS 3 HZ3 LYS 3 -3.715 -13.852 0.285 25 H ASP 4 HN ASP 4 -7.235 -9.218 -5.148 26 HA ASP 4 HA ASP 4 -6.274 -7.103 -6.801 27 HB2 ASP 4 HB2 ASP 4 -8.723 -6.706 -7.654 28 HB3 ASP 4 HB1 ASP 4 -7.731 -7.928 -8.511 29 H ASN 5 HN ASN 5 -7.379 -5.013 -6.216 30 HA ASN 5 HA ASN 5 -8.479 -5.281 -3.504 31 HB2 ASN 5 HB2 ASN 5 -7.257 -2.810 -4.881 32 HB3 ASN 5 HB1 ASN 5 -7.890 -2.862 -3.194 33 HD21 ASN 5 HD21 ASN 5 -5.096 -2.437 -4.571 34 HD22 ASN 5 HD22 ASN 5 -4.038 -3.455 -3.645 35 H LEU 6 HN LEU 6 -8.957 -4.236 -6.839 36 HA LEU 6 HA LEU 6 -11.381 -2.848 -6.110 37 HB2 LEU 6 HB2 LEU 6 -10.161 -3.469 -8.873 38 HB3 LEU 6 HB1 LEU 6 -11.618 -2.462 -8.594 39 HG LEU 6 HG LEU 6 -8.899 -1.796 -7.391 40 HD11 LEU 6 HD11 LEU 6 -9.973 -1.250 -10.164 41 HD12 LEU 6 HD12 LEU 6 -8.282 -1.575 -9.611 42 HD13 LEU 6 HD13 LEU 6 -9.031 0.049 -9.339 43 HD21 LEU 6 HD21 LEU 6 -11.531 -0.258 -7.708 44 HD22 LEU 6 HD22 LEU 6 -9.962 0.570 -7.380 45 HD23 LEU 6 HD23 LEU 6 -10.615 -0.627 -6.198 46 HA PRO 7 HA PRO 7 -13.923 -6.325 -6.711 47 HB2 PRO 7 HB2 PRO 7 -16.105 -5.216 -8.003 48 HB3 PRO 7 HB1 PRO 7 -15.776 -5.023 -6.227 49 HG2 PRO 7 HG2 PRO 7 -15.202 -3.126 -8.528 50 HG3 PRO 7 HG1 PRO 7 -15.816 -2.767 -6.870 51 HD2 PRO 7 HD2 PRO 7 -13.185 -2.375 -7.591 52 HD3 PRO 7 HD1 PRO 7 -13.673 -2.846 -5.911 53 H ALA 8 HN ALA 8 -14.875 -7.776 -8.291 54 HA ALA 8 HA ALA 8 -13.263 -7.917 -10.571 55 HB1 ALA 8 HB1 ALA 8 -14.475 -9.907 -9.433 56 HB2 ALA 8 HB2 ALA 8 -14.565 -9.859 -11.235 57 HB3 ALA 8 HB3 ALA 8 -15.970 -9.308 -10.245 58 H ALA 9 HN ALA 9 -16.546 -6.627 -9.931 59 HA ALA 9 HA ALA 9 -17.268 -6.372 -12.625 60 HB1 ALA 9 HB1 ALA 9 -19.046 -6.018 -10.999 61 HB2 ALA 9 HB2 ALA 9 -18.760 -4.421 -11.788 62 HB3 ALA 9 HB3 ALA 9 -18.080 -4.752 -10.150 63 H THR 10 HN THR 10 -15.415 -4.207 -10.381 64 HA THR 10 HA THR 10 -15.293 -2.135 -12.350 65 HB THR 10 HB THR 10 -13.609 -2.634 -9.854 66 HG1 THR 10 HG1 THR 10 -15.204 -0.420 -10.108 67 HG21 THR 10 HG21 THR 10 -13.559 -0.455 -12.010 68 HG22 THR 10 HG22 THR 10 -12.181 -1.367 -11.283 69 HG23 THR 10 HG23 THR 10 -13.036 -0.104 -10.319 70 H CYS 11 HN CYS 11 -13.097 -4.776 -11.204 71 HA CYS 11 HA CYS 11 -10.949 -4.009 -12.828 72 HB2 CYS 11 HB2 CYS 11 -11.818 -6.793 -11.876 73 HB3 CYS 11 HB1 CYS 11 -10.286 -6.472 -12.749 74 H SER 12 HN SER 12 -13.939 -5.817 -13.495 75 HA SER 12 HA SER 12 -13.115 -6.863 -15.966 76 HB2 SER 12 HB2 SER 12 -15.925 -6.059 -15.020 77 HB3 SER 12 HB1 SER 12 -15.579 -6.976 -16.540 78 HG SER 12 HG SER 12 -14.978 -7.742 -13.868 79 H ASN 13 HN ASN 13 -14.636 -3.785 -14.933 80 HA ASN 13 HA ASN 13 -14.890 -2.857 -17.610 81 HB2 ASN 13 HB2 ASN 13 -15.005 -1.520 -14.870 82 HB3 ASN 13 HB1 ASN 13 -14.938 -0.517 -16.363 83 HD21 ASN 13 HD21 ASN 13 -16.922 -2.548 -14.295 84 HD22 ASN 13 HD22 ASN 13 -18.399 -2.395 -15.184 85 H VAL 14 HN VAL 14 -12.408 -2.816 -15.062 86 HA VAL 14 HA VAL 14 -10.766 -0.857 -16.231 87 HB VAL 14 HB VAL 14 -10.151 -3.277 -14.488 88 HG11 VAL 14 HG11 VAL 14 -8.206 -2.489 -16.047 89 HG12 VAL 14 HG12 VAL 14 -7.862 -2.447 -14.284 90 HG13 VAL 14 HG13 VAL 14 -8.250 -0.923 -15.159 91 HG21 VAL 14 HG21 VAL 14 -10.125 -0.281 -13.815 92 HG22 VAL 14 HG22 VAL 14 -10.139 -1.682 -12.684 93 HG23 VAL 14 HG23 VAL 14 -11.598 -1.296 -13.663 94 H LYS 15 HN LYS 15 -11.018 -4.414 -16.533 95 HA LYS 15 HA LYS 15 -8.865 -4.551 -18.348 96 HB2 LYS 15 HB2 LYS 15 -9.324 -6.645 -17.375 97 HB3 LYS 15 HB1 LYS 15 -11.107 -6.383 -17.451 98 HG2 LYS 15 HG2 LYS 15 -9.742 -6.487 -20.117 99 HG3 LYS 15 HG1 LYS 15 -9.630 -8.003 -19.164 100 HD2 LYS 15 HD2 LYS 15 -12.186 -7.795 -18.796 101 HD3 LYS 15 HD1 LYS 15 -12.161 -6.500 -20.045 102 HE2 LYS 15 HE2 LYS 15 -11.192 -8.123 -21.707 103 HE3 LYS 15 HE1 LYS 15 -11.229 -9.426 -20.447 104 HZ1 LYS 15 HZ1 LYS 15 -13.446 -9.587 -20.579 105 HZ2 LYS 15 HZ2 LYS 15 -13.172 -9.016 -22.155 106 HZ3 LYS 15 HZ3 LYS 15 -13.703 -7.949 -20.944 107 H ALA 16 HN ALA 16 -12.424 -4.115 -18.564 108 HA ALA 16 HA ALA 16 -12.403 -4.411 -21.428 109 HB1 ALA 16 HB1 ALA 16 -14.507 -4.744 -19.967 110 HB2 ALA 16 HB2 ALA 16 -14.739 -3.657 -21.387 111 HB3 ALA 16 HB3 ALA 16 -14.518 -2.955 -19.740 112 H ASN 17 HN ASN 17 -11.171 -2.073 -19.332 113 HA ASN 17 HA ASN 17 -11.707 0.040 -21.310 114 HB2 ASN 17 HB2 ASN 17 -11.217 0.068 -18.328 115 HB3 ASN 17 HB1 ASN 17 -10.401 1.368 -19.276 116 HD21 ASN 17 HD21 ASN 17 -13.545 -0.034 -18.302 117 HD22 ASN 17 HD22 ASN 17 -14.512 1.342 -18.735 118 H ASN 18 HN ASN 18 -9.518 -2.371 -20.409 119 HA ASN 18 HA ASN 18 -7.395 -2.732 -21.020 120 HB2 ASN 18 HB2 ASN 18 -7.541 -0.100 -22.611 121 HB3 ASN 18 HB1 ASN 18 -6.256 -1.349 -22.759 122 HD21 ASN 18 HD21 ASN 18 -8.831 -0.135 -24.368 123 HD22 ASN 18 HD22 ASN 18 -9.423 -1.552 -25.171 124 H ASN 19 HN ASN 19 -8.395 -0.817 -18.756 125 HA ASN 19 HA ASN 19 -6.103 0.915 -18.489 126 HB2 ASN 19 HB2 ASN 19 -8.453 0.258 -16.628 127 HB3 ASN 19 HB1 ASN 19 -7.081 1.308 -16.123 128 HD21 ASN 19 HD21 ASN 19 -9.783 2.196 -16.184 129 HD22 ASN 19 HD22 ASN 19 -9.941 3.415 -17.405 130 H CYS 20 HN CYS 20 -6.723 -2.374 -18.204 131 HA CYS 20 HA CYS 20 -5.345 -2.881 -15.771 132 HB2 CYS 20 HB2 CYS 20 -6.661 -4.462 -17.818 133 HB3 CYS 20 HB1 CYS 20 -4.972 -5.057 -17.663 134 H SER 21 HN SER 21 -4.372 -1.537 -18.734 135 HA SER 21 HA SER 21 -1.757 -2.798 -18.653 136 HB2 SER 21 HB2 SER 21 -1.218 -1.412 -20.660 137 HB3 SER 21 HB1 SER 21 -2.792 -2.263 -20.924 138 HG SER 21 HG SER 21 -3.861 -0.433 -20.595 139 H SER 22 HN SER 22 -3.395 -0.497 -16.881 140 HA SER 22 HA SER 22 -1.111 1.318 -16.787 141 HB2 SER 22 HB2 SER 22 -3.410 2.383 -16.826 142 HB3 SER 22 HB1 SER 22 -3.823 1.464 -15.324 143 HG SER 22 HG SER 22 -2.645 3.790 -15.533 144 H GLU 23 HN GLU 23 0.083 1.635 -14.800 145 HA GLU 23 HA GLU 23 0.228 -0.757 -13.265 146 HB2 GLU 23 HB2 GLU 23 1.515 2.001 -12.839 147 HB3 GLU 23 HB1 GLU 23 1.851 0.565 -11.805 148 HG2 GLU 23 HG2 GLU 23 2.793 -0.679 -13.752 149 HG3 GLU 23 HG1 GLU 23 2.389 0.705 -14.846 150 H LYS 24 HN LYS 24 -1.948 1.796 -13.331 151 HA LYS 24 HA LYS 24 -2.210 2.093 -10.533 152 HB2 LYS 24 HB2 LYS 24 -2.921 3.902 -12.172 153 HB3 LYS 24 HB1 LYS 24 -4.198 2.775 -12.763 154 HG2 LYS 24 HG2 LYS 24 -5.212 2.721 -10.507 155 HG3 LYS 24 HG1 LYS 24 -3.930 3.809 -9.889 156 HD2 LYS 24 HD2 LYS 24 -4.668 5.590 -11.482 157 HD3 LYS 24 HD1 LYS 24 -5.949 4.498 -12.112 158 HE2 LYS 24 HE2 LYS 24 -7.028 4.443 -9.845 159 HE3 LYS 24 HE1 LYS 24 -5.731 5.533 -9.202 160 HZ1 LYS 24 HZ1 LYS 24 -7.446 6.241 -11.520 161 HZ2 LYS 24 HZ2 LYS 24 -6.448 7.252 -10.588 162 HZ3 LYS 24 HZ3 LYS 24 -7.860 6.594 -9.911 163 H TYR 25 HN TYR 25 -3.291 -0.146 -13.044 164 HA TYR 25 HA TYR 25 -5.117 -1.257 -11.037 165 HB2 TYR 25 HB2 TYR 25 -5.300 -1.313 -14.082 166 HB3 TYR 25 HB1 TYR 25 -6.323 -2.330 -12.991 167 HD1 TYR 25 HD1 TYR 25 -5.485 1.140 -13.974 168 HD2 TYR 25 HD2 TYR 25 -8.147 -1.420 -11.884 169 HE1 TYR 25 HE1 TYR 25 -7.079 2.980 -13.730 170 HE2 TYR 25 HE2 TYR 25 -9.730 0.419 -11.644 171 HH TYR 25 HH TYR 25 -9.254 3.296 -11.689 172 H LYS 26 HN LYS 26 -2.112 -1.626 -12.601 173 HA LYS 26 HA LYS 26 -2.332 -4.480 -12.942 174 HB2 LYS 26 HB2 LYS 26 0.039 -2.539 -12.958 175 HB3 LYS 26 HB1 LYS 26 0.296 -4.314 -12.961 176 HG2 LYS 26 HG2 LYS 26 -1.055 -4.505 -15.062 177 HG3 LYS 26 HG1 LYS 26 -1.283 -2.724 -15.068 178 HD2 LYS 26 HD2 LYS 26 1.157 -2.372 -15.293 179 HD3 LYS 26 HD1 LYS 26 1.454 -4.139 -15.164 180 HE2 LYS 26 HE2 LYS 26 0.185 -4.511 -17.297 181 HE3 LYS 26 HE1 LYS 26 -0.120 -2.731 -17.422 182 HZ1 LYS 26 HZ1 LYS 26 1.916 -2.391 -18.154 183 HZ2 LYS 26 HZ2 LYS 26 1.990 -4.063 -18.443 184 HZ3 LYS 26 HZ3 LYS 26 2.644 -3.419 -17.015 185 H THR 27 HN THR 27 -2.250 -2.389 -10.278 186 HA THR 27 HA THR 27 -1.049 -4.531 -8.677 187 HB THR 27 HB THR 27 0.350 -2.427 -8.662 188 HG1 THR 27 HG1 THR 27 -1.031 -3.251 -6.341 189 HG21 THR 27 HG21 THR 27 -1.888 -1.108 -7.103 190 HG22 THR 27 HG22 THR 27 -1.937 -1.070 -8.906 191 HG23 THR 27 HG23 THR 27 -0.533 -0.359 -8.025 192 H ASN 28 HN ASN 28 -3.923 -3.329 -9.675 193 HA ASN 28 HA ASN 28 -5.046 -3.671 -6.985 194 HB2 ASN 28 HB2 ASN 28 -5.790 -1.633 -9.138 195 HB3 ASN 28 HB1 ASN 28 -7.005 -2.187 -7.932 196 HD21 ASN 28 HD21 ASN 28 -3.721 -0.702 -8.267 197 HD22 ASN 28 HD22 ASN 28 -3.790 0.199 -6.783 198 H CYS 29 HN CYS 29 -5.050 -4.336 -10.466 199 HA CYS 29 HA CYS 29 -7.174 -6.292 -9.924 200 HB2 CYS 29 HB2 CYS 29 -6.859 -4.530 -12.428 201 HB3 CYS 29 HB1 CYS 29 -7.899 -5.992 -12.363 202 H ALA 30 HN ALA 30 -4.509 -6.887 -9.578 203 HA ALA 30 HA ALA 30 -3.186 -7.578 -11.949 204 HB1 ALA 30 HB1 ALA 30 -2.961 -8.563 -9.068 205 HB2 ALA 30 HB2 ALA 30 -1.766 -7.598 -10.017 206 HB3 ALA 30 HB3 ALA 30 -2.010 -9.348 -10.384 207 H LYS 31 HN LYS 31 -5.596 -9.284 -9.897 208 HA LYS 31 HA LYS 31 -5.252 -11.800 -11.076 209 HB2 LYS 31 HB2 LYS 31 -6.634 -11.420 -8.992 210 HB3 LYS 31 HB1 LYS 31 -7.849 -10.562 -10.003 211 HG2 LYS 31 HG2 LYS 31 -8.223 -12.645 -11.333 212 HG3 LYS 31 HG1 LYS 31 -7.010 -13.506 -10.322 213 HD2 LYS 31 HD2 LYS 31 -8.413 -13.100 -8.293 214 HD3 LYS 31 HD1 LYS 31 -9.621 -12.224 -9.297 215 HE2 LYS 31 HE2 LYS 31 -10.051 -14.320 -10.615 216 HE3 LYS 31 HE1 LYS 31 -8.827 -15.202 -9.610 217 HZ1 LYS 31 HZ1 LYS 31 -10.520 -13.979 -7.825 218 HZ2 LYS 31 HZ2 LYS 31 -10.476 -15.623 -8.251 219 HZ3 LYS 31 HZ3 LYS 31 -11.541 -14.568 -9.047 220 H THR 32 HN THR 32 -7.398 -8.997 -11.961 221 HA THR 32 HA THR 32 -8.529 -10.457 -14.158 222 HB THR 32 HB THR 32 -8.506 -7.447 -13.611 223 HG1 THR 32 HG1 THR 32 -10.483 -9.443 -13.196 224 HG21 THR 32 HG21 THR 32 -10.386 -7.377 -15.269 225 HG22 THR 32 HG22 THR 32 -10.212 -9.159 -15.546 226 HG23 THR 32 HG23 THR 32 -8.886 -8.039 -16.032 227 H CYS 33 HN CYS 33 -5.875 -8.075 -13.657 228 HA CYS 33 HA CYS 33 -5.413 -7.611 -16.382 229 HB2 CYS 33 HB2 CYS 33 -3.461 -7.650 -14.011 230 HB3 CYS 33 HB1 CYS 33 -3.004 -7.117 -15.663 231 H GLY 34 HN GLY 34 -4.313 -10.202 -14.106 232 HA2 GLY 34 HA2 GLY 34 -3.930 -12.360 -14.884 233 HA3 GLY 34 HA1 GLY 34 -3.518 -11.674 -16.519 234 H GLU 35 HN GLU 35 -2.315 -9.846 -13.842 235 HA GLU 35 HA GLU 35 0.341 -10.328 -14.646 236 HB2 GLU 35 HB2 GLU 35 -0.776 -9.133 -12.040 237 HB3 GLU 35 HB1 GLU 35 0.977 -9.181 -12.444 238 HG2 GLU 35 HG2 GLU 35 -1.203 -7.720 -14.087 239 HG3 GLU 35 HG1 GLU 35 0.000 -6.946 -12.980 240 H CYS 36 HN CYS 36 -1.817 -11.648 -12.087 241 HA CYS 36 HA CYS 36 0.300 -13.139 -10.889 242 HB2 CYS 36 HB2 CYS 36 -2.135 -12.497 -9.916 243 HB3 CYS 36 HB1 CYS 36 -2.608 -14.021 -10.740 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 1.658 -12.525 -7.008 2 H2 ALA 1 HT2 ALA 1 2.081 -12.271 -8.634 3 H3 ALA 1 HT3 ALA 1 0.673 -13.141 -8.249 4 HA ALA 1 HA ALA 1 0.763 -10.530 -7.093 5 HB1 ALA 1 HB1 ALA 1 0.471 -10.813 -10.137 6 HB2 ALA 1 HB2 ALA 1 1.911 -10.101 -9.316 7 HB3 ALA 1 HB3 ALA 1 0.306 -9.285 -9.193 8 H CYS 2 HN CYS 2 -0.740 -12.947 -6.634 9 HA CYS 2 HA CYS 2 -3.243 -12.462 -8.027 10 HB2 CYS 2 HB2 CYS 2 -2.225 -14.642 -6.139 11 HB3 CYS 2 HB1 CYS 2 -3.993 -14.397 -6.349 12 H LYS 3 HN LYS 3 -4.139 -10.550 -7.222 13 HA LYS 3 HA LYS 3 -5.058 -10.732 -4.520 14 HB2 LYS 3 HB2 LYS 3 -4.169 -8.459 -3.850 15 HB3 LYS 3 HB1 LYS 3 -2.872 -9.697 -4.012 16 HG2 LYS 3 HG2 LYS 3 -2.384 -8.864 -6.335 17 HG3 LYS 3 HG1 LYS 3 -3.642 -7.597 -6.129 18 HD2 LYS 3 HD2 LYS 3 -1.553 -6.526 -5.662 19 HD3 LYS 3 HD1 LYS 3 -2.330 -6.793 -4.064 20 HE2 LYS 3 HE2 LYS 3 -0.885 -8.774 -3.650 21 HE3 LYS 3 HE1 LYS 3 -0.157 -8.619 -5.303 22 HZ1 LYS 3 HZ1 LYS 3 1.256 -7.641 -3.686 23 HZ2 LYS 3 HZ2 LYS 3 0.014 -6.661 -3.069 24 HZ3 LYS 3 HZ3 LYS 3 0.602 -6.398 -4.640 25 H ASP 4 HN ASP 4 -6.687 -8.955 -4.091 26 HA ASP 4 HA ASP 4 -7.441 -7.626 -6.584 27 HB2 ASP 4 HB2 ASP 4 -9.408 -9.016 -4.668 28 HB3 ASP 4 HB1 ASP 4 -9.856 -8.052 -6.122 29 H ASN 5 HN ASN 5 -7.238 -5.464 -6.115 30 HA ASN 5 HA ASN 5 -7.907 -4.720 -3.352 31 HB2 ASN 5 HB2 ASN 5 -6.332 -3.221 -5.529 32 HB3 ASN 5 HB1 ASN 5 -6.787 -2.500 -3.942 33 HD21 ASN 5 HD21 ASN 5 -4.085 -2.845 -4.973 34 HD22 ASN 5 HD22 ASN 5 -3.248 -3.909 -3.891 35 H LEU 6 HN LEU 6 -9.097 -4.911 -6.522 36 HA LEU 6 HA LEU 6 -11.075 -2.869 -5.860 37 HB2 LEU 6 HB2 LEU 6 -9.806 -3.430 -8.613 38 HB3 LEU 6 HB1 LEU 6 -11.276 -2.429 -8.372 39 HG LEU 6 HG LEU 6 -8.586 -1.827 -7.071 40 HD11 LEU 6 HD11 LEU 6 -8.315 -0.033 -8.779 41 HD12 LEU 6 HD12 LEU 6 -9.788 -0.639 -9.621 42 HD13 LEU 6 HD13 LEU 6 -8.324 -1.685 -9.508 43 HD21 LEU 6 HD21 LEU 6 -11.260 -0.353 -7.196 44 HD22 LEU 6 HD22 LEU 6 -9.714 0.543 -6.941 45 HD23 LEU 6 HD23 LEU 6 -10.225 -0.727 -5.765 46 HA PRO 7 HA PRO 7 -13.939 -6.045 -6.634 47 HB2 PRO 7 HB2 PRO 7 -15.948 -4.727 -8.006 48 HB3 PRO 7 HB1 PRO 7 -15.674 -4.570 -6.217 49 HG2 PRO 7 HG2 PRO 7 -14.818 -2.735 -8.483 50 HG3 PRO 7 HG1 PRO 7 -15.471 -2.320 -6.854 51 HD2 PRO 7 HD2 PRO 7 -12.791 -2.179 -7.440 52 HD3 PRO 7 HD1 PRO 7 -13.398 -2.618 -5.793 53 H ALA 8 HN ALA 8 -14.946 -7.409 -8.238 54 HA ALA 8 HA ALA 8 -13.290 -7.656 -10.491 55 HB1 ALA 8 HB1 ALA 8 -16.060 -8.919 -10.164 56 HB2 ALA 8 HB2 ALA 8 -14.590 -9.586 -9.357 57 HB3 ALA 8 HB3 ALA 8 -14.687 -9.535 -11.158 58 H ALA 9 HN ALA 9 -16.469 -6.151 -9.861 59 HA ALA 9 HA ALA 9 -17.215 -5.912 -12.547 60 HB1 ALA 9 HB1 ALA 9 -18.922 -5.386 -10.879 61 HB2 ALA 9 HB2 ALA 9 -18.557 -3.850 -11.754 62 HB3 ALA 9 HB3 ALA 9 -17.854 -4.147 -10.119 63 H THR 10 HN THR 10 -15.183 -3.818 -10.389 64 HA THR 10 HA THR 10 -14.924 -1.825 -12.427 65 HB THR 10 HB THR 10 -13.246 -2.362 -9.935 66 HG1 THR 10 HG1 THR 10 -14.708 -0.069 -10.193 67 HG21 THR 10 HG21 THR 10 -13.139 -0.199 -12.111 68 HG22 THR 10 HG22 THR 10 -11.796 -1.218 -11.467 69 HG23 THR 10 HG23 THR 10 -12.506 0.092 -10.447 70 H CYS 11 HN CYS 11 -12.913 -4.567 -11.195 71 HA CYS 11 HA CYS 11 -10.738 -4.016 -12.878 72 HB2 CYS 11 HB2 CYS 11 -11.761 -6.690 -11.769 73 HB3 CYS 11 HB1 CYS 11 -10.215 -6.501 -12.658 74 H SER 12 HN SER 12 -13.847 -5.655 -13.399 75 HA SER 12 HA SER 12 -13.132 -6.914 -15.807 76 HB2 SER 12 HB2 SER 12 -15.270 -7.459 -14.567 77 HB3 SER 12 HB1 SER 12 -15.889 -5.826 -15.029 78 HG SER 12 HG SER 12 -15.246 -6.622 -17.254 79 H ASN 13 HN ASN 13 -14.516 -3.709 -14.983 80 HA ASN 13 HA ASN 13 -14.758 -2.953 -17.701 81 HB2 ASN 13 HB2 ASN 13 -14.730 -1.434 -15.059 82 HB3 ASN 13 HB1 ASN 13 -14.617 -0.531 -16.612 83 HD21 ASN 13 HD21 ASN 13 -16.698 -2.325 -14.416 84 HD22 ASN 13 HD22 ASN 13 -18.176 -2.113 -15.293 85 H VAL 14 HN VAL 14 -12.226 -2.821 -15.211 86 HA VAL 14 HA VAL 14 -10.503 -1.074 -16.582 87 HB VAL 14 HB VAL 14 -9.992 -3.367 -14.645 88 HG11 VAL 14 HG11 VAL 14 -7.885 -1.239 -15.091 89 HG12 VAL 14 HG12 VAL 14 -8.097 -2.390 -16.452 90 HG13 VAL 14 HG13 VAL 14 -7.694 -3.007 -14.812 91 HG21 VAL 14 HG21 VAL 14 -9.615 -0.414 -14.078 92 HG22 VAL 14 HG22 VAL 14 -10.116 -1.751 -12.979 93 HG23 VAL 14 HG23 VAL 14 -11.290 -1.063 -14.161 94 H LYS 15 HN LYS 15 -10.923 -4.635 -16.547 95 HA LYS 15 HA LYS 15 -8.827 -5.025 -18.394 96 HB2 LYS 15 HB2 LYS 15 -9.337 -6.990 -17.189 97 HB3 LYS 15 HB1 LYS 15 -11.114 -6.683 -17.284 98 HG2 LYS 15 HG2 LYS 15 -9.776 -7.093 -19.933 99 HG3 LYS 15 HG1 LYS 15 -9.698 -8.510 -18.833 100 HD2 LYS 15 HD2 LYS 15 -12.232 -8.230 -18.478 101 HD3 LYS 15 HD1 LYS 15 -12.205 -7.016 -19.806 102 HE2 LYS 15 HE2 LYS 15 -11.326 -8.744 -21.389 103 HE3 LYS 15 HE1 LYS 15 -11.305 -9.969 -20.052 104 HZ1 LYS 15 HZ1 LYS 15 -13.825 -8.855 -20.043 105 HZ2 LYS 15 HZ2 LYS 15 -13.367 -10.393 -20.595 106 HZ3 LYS 15 HZ3 LYS 15 -13.452 -9.091 -21.682 107 H ALA 16 HN ALA 16 -12.385 -4.512 -18.555 108 HA ALA 16 HA ALA 16 -12.440 -5.073 -21.388 109 HB1 ALA 16 HB1 ALA 16 -14.759 -4.253 -21.356 110 HB2 ALA 16 HB2 ALA 16 -14.480 -3.447 -19.766 111 HB3 ALA 16 HB3 ALA 16 -14.506 -5.248 -19.873 112 H ASN 17 HN ASN 17 -11.029 -2.595 -19.624 113 HA ASN 17 HA ASN 17 -11.550 -0.724 -21.850 114 HB2 ASN 17 HB2 ASN 17 -11.253 -0.245 -18.864 115 HB3 ASN 17 HB1 ASN 17 -10.531 0.972 -19.984 116 HD21 ASN 17 HD21 ASN 17 -13.532 -0.485 -18.762 117 HD22 ASN 17 HD22 ASN 17 -14.622 0.666 -19.471 118 H ASN 18 HN ASN 18 -9.407 -2.932 -20.510 119 HA ASN 18 HA ASN 18 -7.201 -3.228 -20.750 120 HB2 ASN 18 HB2 ASN 18 -7.355 -1.023 -22.897 121 HB3 ASN 18 HB1 ASN 18 -5.976 -2.156 -22.656 122 HD21 ASN 18 HD21 ASN 18 -8.383 -1.564 -24.747 123 HD22 ASN 18 HD22 ASN 18 -8.825 -3.167 -25.232 124 H ASN 19 HN ASN 19 -8.188 -1.403 -18.708 125 HA ASN 19 HA ASN 19 -6.341 0.833 -18.801 126 HB2 ASN 19 HB2 ASN 19 -8.350 -0.123 -16.687 127 HB3 ASN 19 HB1 ASN 19 -7.218 1.243 -16.400 128 HD21 ASN 19 HD21 ASN 19 -10.076 1.458 -16.315 129 HD22 ASN 19 HD22 ASN 19 -10.578 2.504 -17.600 130 H CYS 20 HN CYS 20 -6.021 -2.400 -18.402 131 HA CYS 20 HA CYS 20 -4.635 -2.628 -15.970 132 HB2 CYS 20 HB2 CYS 20 -4.521 -4.184 -18.595 133 HB3 CYS 20 HB1 CYS 20 -3.374 -4.547 -17.259 134 H SER 21 HN SER 21 -3.841 -1.081 -19.015 135 HA SER 21 HA SER 21 -1.029 -1.353 -18.762 136 HB2 SER 21 HB2 SER 21 -2.708 0.804 -20.195 137 HB3 SER 21 HB1 SER 21 -0.911 0.647 -20.336 138 HG SER 21 HG SER 21 -1.683 -0.466 -21.991 139 H SER 22 HN SER 22 -3.480 0.414 -17.025 140 HA SER 22 HA SER 22 -1.603 2.493 -16.260 141 HB2 SER 22 HB2 SER 22 -4.069 3.075 -16.473 142 HB3 SER 22 HB1 SER 22 -4.419 1.877 -15.163 143 HG SER 22 HG SER 22 -3.730 4.398 -14.935 144 H GLU 23 HN GLU 23 -0.683 2.667 -14.135 145 HA GLU 23 HA GLU 23 -0.334 0.101 -12.910 146 HB2 GLU 23 HB2 GLU 23 0.575 2.911 -12.046 147 HB3 GLU 23 HB1 GLU 23 1.007 1.397 -11.172 148 HG2 GLU 23 HG2 GLU 23 2.233 0.536 -13.166 149 HG3 GLU 23 HG1 GLU 23 1.745 2.001 -14.111 150 H LYS 24 HN LYS 24 -2.846 2.267 -12.957 151 HA LYS 24 HA LYS 24 -3.364 2.317 -10.178 152 HB2 LYS 24 HB2 LYS 24 -4.225 4.110 -11.758 153 HB3 LYS 24 HB1 LYS 24 -5.255 2.845 -12.524 154 HG2 LYS 24 HG2 LYS 24 -6.411 2.469 -10.368 155 HG3 LYS 24 HG1 LYS 24 -5.377 3.704 -9.586 156 HD2 LYS 24 HD2 LYS 24 -6.276 5.445 -11.133 157 HD3 LYS 24 HD1 LYS 24 -7.304 4.207 -11.934 158 HE2 LYS 24 HE2 LYS 24 -8.528 3.820 -9.774 159 HE3 LYS 24 HE1 LYS 24 -7.489 5.066 -8.964 160 HZ1 LYS 24 HZ1 LYS 24 -8.427 6.735 -10.210 161 HZ2 LYS 24 HZ2 LYS 24 -9.754 5.729 -9.879 162 HZ3 LYS 24 HZ3 LYS 24 -9.024 5.696 -11.413 163 H TYR 25 HN TYR 25 -3.744 0.089 -12.832 164 HA TYR 25 HA TYR 25 -5.451 -1.492 -11.059 165 HB2 TYR 25 HB2 TYR 25 -5.677 -1.294 -14.100 166 HB3 TYR 25 HB1 TYR 25 -6.635 -2.404 -13.037 167 HD1 TYR 25 HD1 TYR 25 -6.226 0.981 -14.288 168 HD2 TYR 25 HD2 TYR 25 -8.276 -1.477 -11.516 169 HE1 TYR 25 HE1 TYR 25 -7.920 2.713 -13.991 170 HE2 TYR 25 HE2 TYR 25 -9.960 0.256 -11.230 171 HH TYR 25 HH TYR 25 -9.829 3.054 -11.601 172 H LYS 26 HN LYS 26 -2.496 -1.124 -12.626 173 HA LYS 26 HA LYS 26 -2.223 -3.802 -13.550 174 HB2 LYS 26 HB2 LYS 26 -0.768 -1.590 -14.090 175 HB3 LYS 26 HB1 LYS 26 0.165 -2.157 -12.663 176 HG2 LYS 26 HG2 LYS 26 0.642 -4.295 -13.730 177 HG3 LYS 26 HG1 LYS 26 -0.468 -3.920 -15.094 178 HD2 LYS 26 HD2 LYS 26 1.025 -1.894 -15.607 179 HD3 LYS 26 HD1 LYS 26 2.187 -2.537 -14.396 180 HE2 LYS 26 HE2 LYS 26 2.396 -4.662 -15.722 181 HE3 LYS 26 HE1 LYS 26 1.223 -4.010 -16.944 182 HZ1 LYS 26 HZ1 LYS 26 2.719 -2.445 -17.633 183 HZ2 LYS 26 HZ2 LYS 26 3.733 -3.768 -17.311 184 HZ3 LYS 26 HZ3 LYS 26 3.640 -2.481 -16.208 185 H THR 27 HN THR 27 -2.115 -2.163 -10.424 186 HA THR 27 HA THR 27 -0.966 -4.634 -9.317 187 HB THR 27 HB THR 27 0.472 -2.508 -9.031 188 HG1 THR 27 HG1 THR 27 -0.567 -3.955 -6.831 189 HG21 THR 27 HG21 THR 27 -0.298 -0.827 -7.488 190 HG22 THR 27 HG22 THR 27 -1.716 -1.826 -6.997 191 HG23 THR 27 HG23 THR 27 -1.654 -1.097 -8.645 192 H ASN 28 HN ASN 28 -3.814 -3.035 -9.838 193 HA ASN 28 HA ASN 28 -4.767 -3.718 -7.140 194 HB2 ASN 28 HB2 ASN 28 -5.798 -1.672 -9.173 195 HB3 ASN 28 HB1 ASN 28 -6.808 -2.257 -7.806 196 HD21 ASN 28 HD21 ASN 28 -3.534 -0.822 -8.512 197 HD22 ASN 28 HD22 ASN 28 -3.467 0.147 -7.074 198 H CYS 29 HN CYS 29 -4.968 -4.243 -10.631 199 HA CYS 29 HA CYS 29 -7.030 -6.254 -10.037 200 HB2 CYS 29 HB2 CYS 29 -6.820 -4.465 -12.531 201 HB3 CYS 29 HB1 CYS 29 -7.867 -5.920 -12.423 202 H ALA 30 HN ALA 30 -4.234 -6.648 -9.882 203 HA ALA 30 HA ALA 30 -3.139 -7.404 -12.345 204 HB1 ALA 30 HB1 ALA 30 -2.506 -7.967 -9.449 205 HB2 ALA 30 HB2 ALA 30 -1.418 -7.369 -10.757 206 HB3 ALA 30 HB3 ALA 30 -1.840 -9.120 -10.665 207 H LYS 31 HN LYS 31 -5.220 -9.104 -9.954 208 HA LYS 31 HA LYS 31 -4.863 -11.666 -11.035 209 HB2 LYS 31 HB2 LYS 31 -6.030 -11.185 -8.821 210 HB3 LYS 31 HB1 LYS 31 -7.415 -10.530 -9.764 211 HG2 LYS 31 HG2 LYS 31 -7.716 -12.750 -10.871 212 HG3 LYS 31 HG1 LYS 31 -6.338 -13.405 -9.920 213 HD2 LYS 31 HD2 LYS 31 -7.574 -12.924 -7.800 214 HD3 LYS 31 HD1 LYS 31 -8.950 -12.263 -8.750 215 HE2 LYS 31 HE2 LYS 31 -9.295 -14.509 -9.822 216 HE3 LYS 31 HE1 LYS 31 -7.901 -15.175 -8.874 217 HZ1 LYS 31 HZ1 LYS 31 -9.629 -13.876 -7.105 218 HZ2 LYS 31 HZ2 LYS 31 -9.287 -15.534 -7.240 219 HZ3 LYS 31 HZ3 LYS 31 -10.580 -14.860 -8.111 220 H THR 32 HN THR 32 -7.238 -9.017 -11.794 221 HA THR 32 HA THR 32 -8.558 -10.621 -13.772 222 HB THR 32 HB THR 32 -8.543 -7.580 -13.408 223 HG1 THR 32 HG1 THR 32 -10.195 -9.688 -12.499 224 HG21 THR 32 HG21 THR 32 -10.523 -7.574 -14.893 225 HG22 THR 32 HG22 THR 32 -10.497 -9.382 -14.992 226 HG23 THR 32 HG23 THR 32 -9.171 -8.422 -15.745 227 H CYS 33 HN CYS 33 -5.935 -8.170 -13.702 228 HA CYS 33 HA CYS 33 -5.783 -7.850 -16.475 229 HB2 CYS 33 HB2 CYS 33 -3.604 -7.702 -14.320 230 HB3 CYS 33 HB1 CYS 33 -3.333 -7.251 -16.037 231 H GLY 34 HN GLY 34 -4.363 -10.291 -14.205 232 HA2 GLY 34 HA2 GLY 34 -4.050 -12.487 -14.958 233 HA3 GLY 34 HA1 GLY 34 -3.745 -11.837 -16.631 234 H GLU 35 HN GLU 35 -2.391 -9.920 -14.103 235 HA GLU 35 HA GLU 35 0.214 -10.440 -15.043 236 HB2 GLU 35 HB2 GLU 35 -0.743 -9.139 -12.423 237 HB3 GLU 35 HB1 GLU 35 0.980 -9.201 -12.937 238 HG2 GLU 35 HG2 GLU 35 -1.307 -7.806 -14.490 239 HG3 GLU 35 HG1 GLU 35 -0.034 -6.990 -13.498 240 H CYS 36 HN CYS 36 -1.823 -11.676 -12.362 241 HA CYS 36 HA CYS 36 0.264 -13.035 -11.050 242 HB2 CYS 36 HB2 CYS 36 -2.206 -12.621 -10.208 243 HB3 CYS 36 HB1 CYS 36 -2.616 -14.057 -11.205 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -1.640 -15.592 -6.213 2 H2 ALA 1 HT2 ALA 1 -1.459 -15.508 -4.526 3 H3 ALA 1 HT3 ALA 1 -0.450 -16.526 -5.437 4 HA ALA 1 HA ALA 1 0.345 -14.206 -4.612 5 HB1 ALA 1 HB1 ALA 1 1.694 -15.851 -5.972 6 HB2 ALA 1 HB2 ALA 1 1.975 -14.151 -6.505 7 HB3 ALA 1 HB3 ALA 1 0.884 -15.228 -7.458 8 H CYS 2 HN CYS 2 -2.486 -13.783 -5.505 9 HA CYS 2 HA CYS 2 -1.926 -11.423 -7.155 10 HB2 CYS 2 HB2 CYS 2 -4.430 -13.214 -7.257 11 HB3 CYS 2 HB1 CYS 2 -4.246 -11.648 -8.119 12 H LYS 3 HN LYS 3 -3.324 -9.557 -6.658 13 HA LYS 3 HA LYS 3 -4.706 -9.929 -4.100 14 HB2 LYS 3 HB2 LYS 3 -2.994 -7.519 -4.956 15 HB3 LYS 3 HB1 LYS 3 -4.044 -7.561 -3.495 16 HG2 LYS 3 HG2 LYS 3 -2.695 -9.454 -2.574 17 HG3 LYS 3 HG1 LYS 3 -1.643 -9.413 -4.031 18 HD2 LYS 3 HD2 LYS 3 -0.971 -7.065 -3.477 19 HD3 LYS 3 HD1 LYS 3 -2.026 -7.105 -2.021 20 HE2 LYS 3 HE2 LYS 3 -0.647 -8.975 -1.067 21 HE3 LYS 3 HE1 LYS 3 0.413 -8.941 -2.537 22 HZ1 LYS 3 HZ1 LYS 3 0.726 -6.509 -1.957 23 HZ2 LYS 3 HZ2 LYS 3 1.481 -7.662 -0.964 24 HZ3 LYS 3 HZ3 LYS 3 0.068 -6.883 -0.438 25 H ASP 4 HN ASP 4 -6.682 -8.717 -3.900 26 HA ASP 4 HA ASP 4 -7.410 -7.428 -6.428 27 HB2 ASP 4 HB2 ASP 4 -9.825 -7.978 -5.803 28 HB3 ASP 4 HB1 ASP 4 -8.828 -9.418 -6.202 29 H ASN 5 HN ASN 5 -7.331 -5.230 -6.098 30 HA ASN 5 HA ASN 5 -8.137 -4.345 -3.414 31 HB2 ASN 5 HB2 ASN 5 -6.620 -2.896 -5.661 32 HB3 ASN 5 HB1 ASN 5 -7.181 -2.088 -4.153 33 HD21 ASN 5 HD21 ASN 5 -4.430 -2.297 -5.074 34 HD22 ASN 5 HD22 ASN 5 -3.552 -3.206 -3.888 35 H LEU 6 HN LEU 6 -9.194 -4.808 -6.622 36 HA LEU 6 HA LEU 6 -11.359 -2.912 -6.126 37 HB2 LEU 6 HB2 LEU 6 -10.061 -3.569 -8.844 38 HB3 LEU 6 HB1 LEU 6 -11.541 -2.579 -8.625 39 HG LEU 6 HG LEU 6 -8.845 -1.858 -7.390 40 HD11 LEU 6 HD11 LEU 6 -9.976 -1.234 -10.142 41 HD12 LEU 6 HD12 LEU 6 -8.296 -1.694 -9.659 42 HD13 LEU 6 HD13 LEU 6 -8.919 -0.035 -9.305 43 HD21 LEU 6 HD21 LEU 6 -11.510 -0.375 -7.693 44 HD22 LEU 6 HD22 LEU 6 -9.957 0.490 -7.381 45 HD23 LEU 6 HD23 LEU 6 -10.573 -0.719 -6.190 46 HA PRO 7 HA PRO 7 -13.861 -6.414 -6.737 47 HB2 PRO 7 HB2 PRO 7 -16.045 -5.333 -8.037 48 HB3 PRO 7 HB1 PRO 7 -15.718 -5.110 -6.264 49 HG2 PRO 7 HG2 PRO 7 -15.151 -3.245 -8.593 50 HG3 PRO 7 HG1 PRO 7 -15.776 -2.864 -6.945 51 HD2 PRO 7 HD2 PRO 7 -13.142 -2.467 -7.661 52 HD3 PRO 7 HD1 PRO 7 -13.640 -2.905 -5.974 53 H ALA 8 HN ALA 8 -14.780 -7.883 -8.317 54 HA ALA 8 HA ALA 8 -13.157 -8.005 -10.593 55 HB1 ALA 8 HB1 ALA 8 -15.842 -9.441 -10.305 56 HB2 ALA 8 HB2 ALA 8 -14.365 -10.002 -9.432 57 HB3 ALA 8 HB3 ALA 8 -14.396 -9.983 -11.237 58 H ALA 9 HN ALA 9 -16.461 -6.767 -9.962 59 HA ALA 9 HA ALA 9 -17.190 -6.534 -12.654 60 HB1 ALA 9 HB1 ALA 9 -18.684 -4.566 -11.805 61 HB2 ALA 9 HB2 ALA 9 -18.024 -4.947 -10.168 62 HB3 ALA 9 HB3 ALA 9 -18.986 -6.183 -11.063 63 H THR 10 HN THR 10 -15.363 -4.331 -10.426 64 HA THR 10 HA THR 10 -15.263 -2.274 -12.413 65 HB THR 10 HB THR 10 -13.588 -2.726 -9.904 66 HG1 THR 10 HG1 THR 10 -15.239 -0.549 -10.217 67 HG21 THR 10 HG21 THR 10 -12.174 -1.452 -11.346 68 HG22 THR 10 HG22 THR 10 -13.044 -0.197 -10.383 69 HG23 THR 10 HG23 THR 10 -13.563 -0.560 -12.073 70 H CYS 11 HN CYS 11 -13.046 -4.884 -11.246 71 HA CYS 11 HA CYS 11 -10.887 -4.102 -12.845 72 HB2 CYS 11 HB2 CYS 11 -11.752 -6.903 -11.934 73 HB3 CYS 11 HB1 CYS 11 -10.203 -6.555 -12.766 74 H SER 12 HN SER 12 -13.834 -5.976 -13.541 75 HA SER 12 HA SER 12 -12.977 -6.953 -16.029 76 HB2 SER 12 HB2 SER 12 -15.814 -6.283 -15.062 77 HB3 SER 12 HB1 SER 12 -15.431 -7.180 -16.585 78 HG SER 12 HG SER 12 -14.829 -7.924 -13.909 79 H ASN 13 HN ASN 13 -14.625 -3.966 -14.935 80 HA ASN 13 HA ASN 13 -14.965 -3.007 -17.585 81 HB2 ASN 13 HB2 ASN 13 -14.960 -1.613 -14.857 82 HB3 ASN 13 HB1 ASN 13 -15.184 -0.711 -16.397 83 HD21 ASN 13 HD21 ASN 13 -17.128 -0.765 -14.303 84 HD22 ASN 13 HD22 ASN 13 -18.535 -1.589 -14.879 85 H VAL 14 HN VAL 14 -12.425 -2.922 -15.103 86 HA VAL 14 HA VAL 14 -10.886 -0.881 -16.275 87 HB VAL 14 HB VAL 14 -10.153 -3.299 -14.580 88 HG11 VAL 14 HG11 VAL 14 -8.256 -2.515 -16.149 89 HG12 VAL 14 HG12 VAL 14 -7.885 -2.349 -14.397 90 HG13 VAL 14 HG13 VAL 14 -8.348 -0.899 -15.358 91 HG21 VAL 14 HG21 VAL 14 -10.145 -0.318 -13.863 92 HG22 VAL 14 HG22 VAL 14 -10.166 -1.743 -12.762 93 HG23 VAL 14 HG23 VAL 14 -11.625 -1.326 -13.727 94 H LYS 15 HN LYS 15 -11.040 -4.434 -16.646 95 HA LYS 15 HA LYS 15 -8.921 -4.472 -18.505 96 HB2 LYS 15 HB2 LYS 15 -9.292 -6.604 -17.591 97 HB3 LYS 15 HB1 LYS 15 -11.084 -6.385 -17.591 98 HG2 LYS 15 HG2 LYS 15 -9.816 -6.391 -20.309 99 HG3 LYS 15 HG1 LYS 15 -9.642 -7.929 -19.400 100 HD2 LYS 15 HD2 LYS 15 -12.184 -7.791 -18.943 101 HD3 LYS 15 HD1 LYS 15 -12.236 -6.450 -20.140 102 HE2 LYS 15 HE2 LYS 15 -11.308 -7.983 -21.901 103 HE3 LYS 15 HE1 LYS 15 -11.250 -9.334 -20.694 104 HZ1 LYS 15 HZ1 LYS 15 -13.748 -8.630 -20.414 105 HZ2 LYS 15 HZ2 LYS 15 -13.242 -9.693 -21.637 106 HZ3 LYS 15 HZ3 LYS 15 -13.542 -8.062 -21.999 107 H ALA 16 HN ALA 16 -12.492 -4.130 -18.640 108 HA ALA 16 HA ALA 16 -12.518 -4.354 -21.512 109 HB1 ALA 16 HB1 ALA 16 -14.577 -4.795 -20.004 110 HB2 ALA 16 HB2 ALA 16 -14.877 -3.706 -21.410 111 HB3 ALA 16 HB3 ALA 16 -14.654 -3.010 -19.760 112 H ASN 17 HN ASN 17 -11.326 -2.033 -19.375 113 HA ASN 17 HA ASN 17 -11.991 0.120 -21.271 114 HB2 ASN 17 HB2 ASN 17 -11.401 0.069 -18.309 115 HB3 ASN 17 HB1 ASN 17 -10.652 1.421 -19.238 116 HD21 ASN 17 HD21 ASN 17 -13.722 -0.096 -18.209 117 HD22 ASN 17 HD22 ASN 17 -14.740 1.263 -18.569 118 H ASN 18 HN ASN 18 -9.688 -2.240 -20.513 119 HA ASN 18 HA ASN 18 -7.576 -2.507 -21.208 120 HB2 ASN 18 HB2 ASN 18 -7.869 0.160 -22.720 121 HB3 ASN 18 HB1 ASN 18 -6.552 -1.043 -22.949 122 HD21 ASN 18 HD21 ASN 18 -9.240 0.128 -24.416 123 HD22 ASN 18 HD22 ASN 18 -9.809 -1.286 -25.240 124 H ASN 19 HN ASN 19 -8.561 -0.697 -18.857 125 HA ASN 19 HA ASN 19 -6.308 1.098 -18.623 126 HB2 ASN 19 HB2 ASN 19 -8.610 0.374 -16.728 127 HB3 ASN 19 HB1 ASN 19 -7.247 1.438 -16.231 128 HD21 ASN 19 HD21 ASN 19 -9.968 2.277 -16.236 129 HD22 ASN 19 HD22 ASN 19 -10.164 3.514 -17.431 130 H CYS 20 HN CYS 20 -6.830 -2.197 -18.404 131 HA CYS 20 HA CYS 20 -5.423 -2.720 -15.993 132 HB2 CYS 20 HB2 CYS 20 -6.704 -4.291 -18.077 133 HB3 CYS 20 HB1 CYS 20 -5.003 -4.850 -17.922 134 H SER 21 HN SER 21 -4.514 -1.327 -18.968 135 HA SER 21 HA SER 21 -1.861 -2.502 -18.903 136 HB2 SER 21 HB2 SER 21 -3.044 -0.294 -20.704 137 HB3 SER 21 HB1 SER 21 -1.382 -0.991 -20.873 138 HG SER 21 HG SER 21 -3.592 -1.853 -21.931 139 H SER 22 HN SER 22 -3.560 -0.270 -17.109 140 HA SER 22 HA SER 22 -1.353 1.637 -17.029 141 HB2 SER 22 HB2 SER 22 -3.703 2.593 -17.014 142 HB3 SER 22 HB1 SER 22 -4.038 1.647 -15.508 143 HG SER 22 HG SER 22 -3.071 4.023 -15.656 144 H GLU 23 HN GLU 23 -0.199 2.044 -15.006 145 HA GLU 23 HA GLU 23 0.098 -0.367 -13.511 146 HB2 GLU 23 HB2 GLU 23 1.280 2.436 -13.090 147 HB3 GLU 23 HB1 GLU 23 1.697 1.006 -12.078 148 HG2 GLU 23 HG2 GLU 23 2.635 -0.184 -14.069 149 HG3 GLU 23 HG1 GLU 23 2.174 1.213 -15.125 150 H LYS 24 HN LYS 24 -2.203 2.054 -13.545 151 HA LYS 24 HA LYS 24 -2.422 2.365 -10.743 152 HB2 LYS 24 HB2 LYS 24 -3.248 4.128 -12.375 153 HB3 LYS 24 HB1 LYS 24 -4.477 2.937 -12.940 154 HG2 LYS 24 HG2 LYS 24 -5.463 2.849 -10.678 155 HG3 LYS 24 HG1 LYS 24 -4.218 3.986 -10.073 156 HD2 LYS 24 HD2 LYS 24 -5.047 5.752 -11.609 157 HD3 LYS 24 HD1 LYS 24 -6.254 4.613 -12.296 158 HE2 LYS 24 HE2 LYS 24 -7.348 6.106 -10.636 159 HE3 LYS 24 HE1 LYS 24 -7.319 4.413 -9.989 160 HZ1 LYS 24 HZ1 LYS 24 -5.809 4.960 -8.435 161 HZ2 LYS 24 HZ2 LYS 24 -6.551 6.479 -8.594 162 HZ3 LYS 24 HZ3 LYS 24 -5.065 6.175 -9.357 163 H TYR 25 HN TYR 25 -3.422 0.048 -13.208 164 HA TYR 25 HA TYR 25 -5.147 -1.143 -11.156 165 HB2 TYR 25 HB2 TYR 25 -5.432 -1.197 -14.197 166 HB3 TYR 25 HB1 TYR 25 -6.378 -2.255 -13.074 167 HD1 TYR 25 HD1 TYR 25 -5.727 1.240 -14.100 168 HD2 TYR 25 HD2 TYR 25 -8.186 -1.413 -11.886 169 HE1 TYR 25 HE1 TYR 25 -7.387 3.011 -13.803 170 HE2 TYR 25 HE2 TYR 25 -9.836 0.357 -11.594 171 HH TYR 25 HH TYR 25 -9.366 3.385 -11.800 172 H LYS 26 HN LYS 26 -2.171 -1.349 -12.739 173 HA LYS 26 HA LYS 26 -2.262 -4.199 -13.174 174 HB2 LYS 26 HB2 LYS 26 -0.049 -2.104 -13.234 175 HB3 LYS 26 HB1 LYS 26 0.380 -3.842 -13.157 176 HG2 LYS 26 HG2 LYS 26 -0.730 -4.307 -15.259 177 HG3 LYS 26 HG1 LYS 26 -1.494 -2.682 -15.292 178 HD2 LYS 26 HD2 LYS 26 0.360 -1.695 -16.183 179 HD3 LYS 26 HD1 LYS 26 1.476 -2.561 -15.072 180 HE2 LYS 26 HE2 LYS 26 1.785 -3.100 -17.571 181 HE3 LYS 26 HE1 LYS 26 1.494 -4.549 -16.521 182 HZ1 LYS 26 HZ1 LYS 26 -0.186 -5.013 -17.818 183 HZ2 LYS 26 HZ2 LYS 26 -0.004 -3.574 -18.703 184 HZ3 LYS 26 HZ3 LYS 26 -0.987 -3.599 -17.316 185 H THR 27 HN THR 27 -2.274 -2.213 -10.445 186 HA THR 27 HA THR 27 -0.965 -4.351 -8.929 187 HB THR 27 HB THR 27 0.424 -2.253 -8.888 188 HG1 THR 27 HG1 THR 27 -0.938 -3.092 -6.559 189 HG21 THR 27 HG21 THR 27 -1.818 -0.956 -7.308 190 HG22 THR 27 HG22 THR 27 -1.851 -0.886 -9.110 191 HG23 THR 27 HG23 THR 27 -0.454 -0.192 -8.204 192 H ASN 28 HN ASN 28 -3.866 -3.255 -9.843 193 HA ASN 28 HA ASN 28 -4.929 -3.575 -7.125 194 HB2 ASN 28 HB2 ASN 28 -5.824 -1.655 -9.336 195 HB3 ASN 28 HB1 ASN 28 -6.958 -2.198 -8.049 196 HD21 ASN 28 HD21 ASN 28 -3.676 -0.711 -8.523 197 HD22 ASN 28 HD22 ASN 28 -3.750 0.304 -7.117 198 H CYS 29 HN CYS 29 -5.073 -4.194 -10.641 199 HA CYS 29 HA CYS 29 -7.013 -6.317 -10.000 200 HB2 CYS 29 HB2 CYS 29 -6.951 -4.534 -12.514 201 HB3 CYS 29 HB1 CYS 29 -7.921 -6.038 -12.364 202 H ALA 30 HN ALA 30 -4.294 -6.739 -9.827 203 HA ALA 30 HA ALA 30 -3.146 -7.360 -12.325 204 HB1 ALA 30 HB1 ALA 30 -1.659 -8.963 -10.868 205 HB2 ALA 30 HB2 ALA 30 -2.549 -8.262 -9.464 206 HB3 ALA 30 HB3 ALA 30 -1.551 -7.196 -10.524 207 H LYS 31 HN LYS 31 -5.577 -8.870 -10.324 208 HA LYS 31 HA LYS 31 -5.103 -11.514 -11.213 209 HB2 LYS 31 HB2 LYS 31 -7.697 -11.695 -10.610 210 HB3 LYS 31 HB1 LYS 31 -6.469 -11.565 -9.312 211 HG2 LYS 31 HG2 LYS 31 -6.876 -9.208 -9.014 212 HG3 LYS 31 HG1 LYS 31 -7.859 -9.118 -10.515 213 HD2 LYS 31 HD2 LYS 31 -8.636 -10.835 -8.083 214 HD3 LYS 31 HD1 LYS 31 -9.166 -9.131 -8.299 215 HE2 LYS 31 HE2 LYS 31 -10.244 -9.785 -10.506 216 HE3 LYS 31 HE1 LYS 31 -9.786 -11.509 -10.182 217 HZ1 LYS 31 HZ1 LYS 31 -11.045 -11.328 -8.096 218 HZ2 LYS 31 HZ2 LYS 31 -11.999 -11.112 -9.484 219 HZ3 LYS 31 HZ3 LYS 31 -11.557 -9.772 -8.541 220 H THR 32 HN THR 32 -7.176 -8.774 -12.293 221 HA THR 32 HA THR 32 -8.286 -10.410 -14.403 222 HB THR 32 HB THR 32 -8.482 -7.394 -13.910 223 HG1 THR 32 HG1 THR 32 -10.270 -9.551 -13.439 224 HG21 THR 32 HG21 THR 32 -8.799 -8.045 -16.321 225 HG22 THR 32 HG22 THR 32 -10.348 -7.479 -15.576 226 HG23 THR 32 HG23 THR 32 -10.050 -9.248 -15.825 227 H CYS 33 HN CYS 33 -5.768 -7.907 -13.904 228 HA CYS 33 HA CYS 33 -5.318 -7.434 -16.634 229 HB2 CYS 33 HB2 CYS 33 -3.375 -7.344 -14.258 230 HB3 CYS 33 HB1 CYS 33 -2.963 -6.776 -15.908 231 H GLY 34 HN GLY 34 -4.123 -9.928 -14.303 232 HA2 GLY 34 HA2 GLY 34 -3.506 -12.044 -14.925 233 HA3 GLY 34 HA1 GLY 34 -3.334 -11.475 -16.645 234 H GLU 35 HN GLU 35 -2.029 -9.401 -14.162 235 HA GLU 35 HA GLU 35 0.554 -9.661 -15.266 236 HB2 GLU 35 HB2 GLU 35 -0.372 -8.454 -12.590 237 HB3 GLU 35 HB1 GLU 35 1.321 -8.362 -13.194 238 HG2 GLU 35 HG2 GLU 35 -1.164 -7.172 -14.605 239 HG3 GLU 35 HG1 GLU 35 0.101 -6.251 -13.700 240 H CYS 36 HN CYS 36 -1.152 -11.035 -12.403 241 HA CYS 36 HA CYS 36 1.295 -12.526 -11.804 242 HB2 CYS 36 HB2 CYS 36 -0.125 -13.407 -9.807 243 HB3 CYS 36 HB1 CYS 36 0.373 -11.681 -9.746 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 1.131 -9.243 -5.944 2 H2 ALA 1 HT2 ALA 1 0.718 -7.602 -6.084 3 H3 ALA 1 HT3 ALA 1 2.312 -8.106 -6.390 4 HA ALA 1 HA ALA 1 0.507 -7.676 -8.272 5 HB1 ALA 1 HB1 ALA 1 1.986 -8.984 -9.795 6 HB2 ALA 1 HB2 ALA 1 2.671 -9.855 -8.370 7 HB3 ALA 1 HB3 ALA 1 2.982 -8.091 -8.585 8 H CYS 2 HN CYS 2 -1.043 -9.189 -6.359 9 HA CYS 2 HA CYS 2 -2.167 -11.063 -8.213 10 HB2 CYS 2 HB2 CYS 2 -0.298 -12.265 -6.634 11 HB3 CYS 2 HB1 CYS 2 -1.655 -12.203 -5.456 12 H LYS 3 HN LYS 3 -4.276 -12.029 -7.139 13 HA LYS 3 HA LYS 3 -6.196 -11.642 -6.069 14 HB2 LYS 3 HB2 LYS 3 -4.592 -9.765 -4.234 15 HB3 LYS 3 HB1 LYS 3 -6.275 -10.323 -3.944 16 HG2 LYS 3 HG2 LYS 3 -5.501 -12.674 -3.780 17 HG3 LYS 3 HG1 LYS 3 -3.814 -12.157 -4.124 18 HD2 LYS 3 HD2 LYS 3 -3.828 -10.759 -2.060 19 HD3 LYS 3 HD1 LYS 3 -5.509 -11.281 -1.716 20 HE2 LYS 3 HE2 LYS 3 -4.742 -13.660 -1.512 21 HE3 LYS 3 HE1 LYS 3 -3.043 -13.144 -1.881 22 HZ1 LYS 3 HZ1 LYS 3 -4.658 -12.751 0.522 23 HZ2 LYS 3 HZ2 LYS 3 -3.585 -11.506 0.095 24 HZ3 LYS 3 HZ3 LYS 3 -3.004 -13.083 0.343 25 H ASP 4 HN ASP 4 -7.656 -9.519 -5.293 26 HA ASP 4 HA ASP 4 -6.936 -7.383 -7.159 27 HB2 ASP 4 HB2 ASP 4 -9.667 -8.770 -6.892 28 HB3 ASP 4 HB1 ASP 4 -9.478 -7.134 -7.618 29 H ASN 5 HN ASN 5 -7.183 -5.329 -6.273 30 HA ASN 5 HA ASN 5 -8.267 -5.343 -3.556 31 HB2 ASN 5 HB2 ASN 5 -6.658 -3.238 -5.120 32 HB3 ASN 5 HB1 ASN 5 -7.340 -2.953 -3.478 33 HD21 ASN 5 HD21 ASN 5 -4.519 -2.843 -4.239 34 HD22 ASN 5 HD22 ASN 5 -3.691 -4.064 -3.331 35 H LEU 6 HN LEU 6 -9.217 -4.942 -6.746 36 HA LEU 6 HA LEU 6 -11.274 -3.026 -5.937 37 HB2 LEU 6 HB2 LEU 6 -10.136 -3.596 -8.748 38 HB3 LEU 6 HB1 LEU 6 -11.531 -2.519 -8.412 39 HG LEU 6 HG LEU 6 -8.748 -2.082 -7.244 40 HD11 LEU 6 HD11 LEU 6 -8.866 -0.087 -9.042 41 HD12 LEU 6 HD12 LEU 6 -9.911 -1.271 -9.915 42 HD13 LEU 6 HD13 LEU 6 -8.219 -1.719 -9.468 43 HD21 LEU 6 HD21 LEU 6 -10.311 -0.909 -5.882 44 HD22 LEU 6 HD22 LEU 6 -11.316 -0.415 -7.298 45 HD23 LEU 6 HD23 LEU 6 -9.697 0.337 -7.034 46 HA PRO 7 HA PRO 7 -14.155 -6.201 -6.651 47 HB2 PRO 7 HB2 PRO 7 -16.180 -4.871 -8.006 48 HB3 PRO 7 HB1 PRO 7 -15.903 -4.750 -6.216 49 HG2 PRO 7 HG2 PRO 7 -15.070 -2.864 -8.443 50 HG3 PRO 7 HG1 PRO 7 -15.700 -2.487 -6.796 51 HD2 PRO 7 HD2 PRO 7 -13.028 -2.324 -7.419 52 HD3 PRO 7 HD1 PRO 7 -13.609 -2.807 -5.772 53 H ALA 8 HN ALA 8 -15.180 -7.559 -8.255 54 HA ALA 8 HA ALA 8 -13.538 -7.829 -10.504 55 HB1 ALA 8 HB1 ALA 8 -14.944 -9.709 -9.382 56 HB2 ALA 8 HB2 ALA 8 -14.962 -9.670 -11.187 57 HB3 ALA 8 HB3 ALA 8 -16.354 -8.999 -10.253 58 H ALA 9 HN ALA 9 -16.716 -6.286 -9.918 59 HA ALA 9 HA ALA 9 -17.370 -5.969 -12.620 60 HB1 ALA 9 HB1 ALA 9 -18.783 -3.987 -11.854 61 HB2 ALA 9 HB2 ALA 9 -18.066 -4.194 -10.210 62 HB3 ALA 9 HB3 ALA 9 -19.096 -5.496 -10.914 63 H THR 10 HN THR 10 -15.354 -3.991 -10.351 64 HA THR 10 HA THR 10 -15.050 -1.915 -12.302 65 HB THR 10 HB THR 10 -13.477 -2.566 -9.772 66 HG1 THR 10 HG1 THR 10 -14.821 -0.197 -10.096 67 HG21 THR 10 HG21 THR 10 -11.889 -1.478 -11.199 68 HG22 THR 10 HG22 THR 10 -12.591 -0.141 -10.210 69 HG23 THR 10 HG23 THR 10 -13.141 -0.392 -11.910 70 H CYS 11 HN CYS 11 -13.039 -4.693 -11.120 71 HA CYS 11 HA CYS 11 -10.843 -4.087 -12.748 72 HB2 CYS 11 HB2 CYS 11 -11.886 -6.797 -11.757 73 HB3 CYS 11 HB1 CYS 11 -10.339 -6.590 -12.639 74 H SER 12 HN SER 12 -13.906 -5.798 -13.393 75 HA SER 12 HA SER 12 -13.102 -6.850 -15.875 76 HB2 SER 12 HB2 SER 12 -15.907 -6.074 -14.887 77 HB3 SER 12 HB1 SER 12 -15.579 -6.970 -16.422 78 HG SER 12 HG SER 12 -15.040 -7.754 -13.749 79 H ASN 13 HN ASN 13 -14.535 -3.749 -14.801 80 HA ASN 13 HA ASN 13 -14.889 -2.812 -17.465 81 HB2 ASN 13 HB2 ASN 13 -15.973 -1.859 -15.236 82 HB3 ASN 13 HB1 ASN 13 -14.411 -0.981 -15.065 83 HD21 ASN 13 HD21 ASN 13 -15.251 1.102 -15.360 84 HD22 ASN 13 HD22 ASN 13 -15.904 1.659 -16.861 85 H VAL 14 HN VAL 14 -12.313 -2.797 -15.009 86 HA VAL 14 HA VAL 14 -10.647 -0.920 -16.272 87 HB VAL 14 HB VAL 14 -10.063 -3.319 -14.491 88 HG11 VAL 14 HG11 VAL 14 -7.750 -2.582 -14.374 89 HG12 VAL 14 HG12 VAL 14 -8.106 -1.034 -15.219 90 HG13 VAL 14 HG13 VAL 14 -8.142 -2.585 -16.130 91 HG21 VAL 14 HG21 VAL 14 -9.866 -0.336 -13.843 92 HG22 VAL 14 HG22 VAL 14 -10.044 -1.733 -12.721 93 HG23 VAL 14 HG23 VAL 14 -11.431 -1.212 -13.742 94 H LYS 15 HN LYS 15 -11.005 -4.474 -16.483 95 HA LYS 15 HA LYS 15 -8.903 -4.702 -18.351 96 HB2 LYS 15 HB2 LYS 15 -9.354 -6.773 -17.344 97 HB3 LYS 15 HB1 LYS 15 -11.132 -6.466 -17.309 98 HG2 LYS 15 HG2 LYS 15 -9.936 -6.670 -20.053 99 HG3 LYS 15 HG1 LYS 15 -9.826 -8.168 -19.071 100 HD2 LYS 15 HD2 LYS 15 -12.342 -7.863 -18.565 101 HD3 LYS 15 HD1 LYS 15 -12.350 -6.582 -19.828 102 HE2 LYS 15 HE2 LYS 15 -11.552 -8.250 -21.527 103 HE3 LYS 15 HE1 LYS 15 -11.539 -9.540 -20.253 104 HZ1 LYS 15 HZ1 LYS 15 -13.576 -9.842 -21.090 105 HZ2 LYS 15 HZ2 LYS 15 -13.776 -8.236 -21.602 106 HZ3 LYS 15 HZ3 LYS 15 -13.991 -8.639 -19.967 107 H ALA 16 HN ALA 16 -12.450 -4.163 -18.475 108 HA ALA 16 HA ALA 16 -12.516 -4.541 -21.334 109 HB1 ALA 16 HB1 ALA 16 -14.550 -3.021 -19.605 110 HB2 ALA 16 HB2 ALA 16 -14.587 -4.809 -19.833 111 HB3 ALA 16 HB3 ALA 16 -14.832 -3.714 -21.245 112 H ASN 17 HN ASN 17 -11.138 -2.201 -19.355 113 HA ASN 17 HA ASN 17 -11.690 -0.125 -21.374 114 HB2 ASN 17 HB2 ASN 17 -11.216 -0.017 -18.399 115 HB3 ASN 17 HB1 ASN 17 -10.340 1.225 -19.372 116 HD21 ASN 17 HD21 ASN 17 -13.610 -0.180 -18.742 117 HD22 ASN 17 HD22 ASN 17 -14.495 1.268 -19.103 118 H ASN 18 HN ASN 18 -9.532 -2.538 -20.423 119 HA ASN 18 HA ASN 18 -7.407 -2.933 -21.002 120 HB2 ASN 18 HB2 ASN 18 -7.560 -0.384 -22.723 121 HB3 ASN 18 HB1 ASN 18 -6.271 -1.636 -22.811 122 HD21 ASN 18 HD21 ASN 18 -8.830 -0.513 -24.490 123 HD22 ASN 18 HD22 ASN 18 -9.429 -1.971 -25.209 124 H ASN 19 HN ASN 19 -8.351 -0.996 -18.785 125 HA ASN 19 HA ASN 19 -6.081 0.790 -18.632 126 HB2 ASN 19 HB2 ASN 19 -8.394 0.183 -16.709 127 HB3 ASN 19 HB1 ASN 19 -7.024 1.266 -16.268 128 HD21 ASN 19 HD21 ASN 19 -9.746 2.112 -16.326 129 HD22 ASN 19 HD22 ASN 19 -9.932 3.286 -17.584 130 H CYS 20 HN CYS 20 -6.575 -2.472 -18.310 131 HA CYS 20 HA CYS 20 -5.252 -2.924 -15.842 132 HB2 CYS 20 HB2 CYS 20 -6.398 -4.550 -17.980 133 HB3 CYS 20 HB1 CYS 20 -4.719 -5.104 -17.650 134 H SER 21 HN SER 21 -4.226 -1.509 -18.739 135 HA SER 21 HA SER 21 -1.564 -2.677 -18.554 136 HB2 SER 21 HB2 SER 21 -2.697 -0.546 -20.479 137 HB3 SER 21 HB1 SER 21 -1.020 -1.226 -20.551 138 HG SER 21 HG SER 21 -3.281 -2.184 -21.566 139 H SER 22 HN SER 22 -3.250 -0.621 -16.702 140 HA SER 22 HA SER 22 -1.109 1.384 -16.640 141 HB2 SER 22 HB2 SER 22 -3.446 2.349 -16.804 142 HB3 SER 22 HB1 SER 22 -3.887 1.444 -15.301 143 HG SER 22 HG SER 22 -2.908 3.811 -15.437 144 H GLU 23 HN GLU 23 0.009 1.767 -14.640 145 HA GLU 23 HA GLU 23 0.228 -0.559 -13.037 146 HB2 GLU 23 HB2 GLU 23 1.806 0.688 -11.656 147 HB3 GLU 23 HB1 GLU 23 2.128 1.093 -13.371 148 HG2 GLU 23 HG2 GLU 23 0.760 3.216 -13.129 149 HG3 GLU 23 HG1 GLU 23 0.525 2.823 -11.378 150 H LYS 24 HN LYS 24 -2.080 1.873 -13.225 151 HA LYS 24 HA LYS 24 -2.540 2.153 -10.464 152 HB2 LYS 24 HB2 LYS 24 -3.275 3.887 -12.164 153 HB3 LYS 24 HB1 LYS 24 -4.435 2.672 -12.811 154 HG2 LYS 24 HG2 LYS 24 -5.575 2.574 -10.619 155 HG3 LYS 24 HG1 LYS 24 -4.411 3.757 -9.947 156 HD2 LYS 24 HD2 LYS 24 -5.171 5.457 -11.611 157 HD3 LYS 24 HD1 LYS 24 -6.330 4.269 -12.298 158 HE2 LYS 24 HE2 LYS 24 -7.540 4.168 -10.101 159 HE3 LYS 24 HE1 LYS 24 -6.366 5.359 -9.401 160 HZ1 LYS 24 HZ1 LYS 24 -7.134 7.009 -10.815 161 HZ2 LYS 24 HZ2 LYS 24 -8.544 6.219 -10.293 162 HZ3 LYS 24 HZ3 LYS 24 -7.934 5.929 -11.851 163 H TYR 25 HN TYR 25 -3.273 -0.236 -12.948 164 HA TYR 25 HA TYR 25 -5.098 -1.440 -10.994 165 HB2 TYR 25 HB2 TYR 25 -5.301 -1.473 -14.042 166 HB3 TYR 25 HB1 TYR 25 -6.291 -2.514 -12.940 167 HD1 TYR 25 HD1 TYR 25 -5.657 0.902 -14.126 168 HD2 TYR 25 HD2 TYR 25 -8.022 -1.574 -11.628 169 HE1 TYR 25 HE1 TYR 25 -7.290 2.703 -13.871 170 HE2 TYR 25 HE2 TYR 25 -9.646 0.225 -11.379 171 HH TYR 25 HH TYR 25 -9.229 3.161 -11.726 172 H LYS 26 HN LYS 26 -2.086 -1.615 -12.540 173 HA LYS 26 HA LYS 26 -2.148 -4.455 -13.006 174 HB2 LYS 26 HB2 LYS 26 0.118 -2.400 -12.852 175 HB3 LYS 26 HB1 LYS 26 0.465 -4.159 -12.939 176 HG2 LYS 26 HG2 LYS 26 -0.812 -4.306 -15.087 177 HG3 LYS 26 HG1 LYS 26 -1.136 -2.541 -15.007 178 HD2 LYS 26 HD2 LYS 26 1.293 -2.059 -15.122 179 HD3 LYS 26 HD1 LYS 26 1.669 -3.815 -15.101 180 HE2 LYS 26 HE2 LYS 26 0.481 -4.101 -17.291 181 HE3 LYS 26 HE1 LYS 26 0.090 -2.335 -17.307 182 HZ1 LYS 26 HZ1 LYS 26 2.142 -1.830 -17.908 183 HZ2 LYS 26 HZ2 LYS 26 2.269 -3.455 -18.379 184 HZ3 LYS 26 HZ3 LYS 26 2.876 -2.957 -16.874 185 H THR 27 HN THR 27 -2.188 -2.476 -10.232 186 HA THR 27 HA THR 27 -0.993 -4.680 -8.709 187 HB THR 27 HB THR 27 0.409 -2.556 -8.634 188 HG1 THR 27 HG1 THR 27 -0.896 -3.530 -6.323 189 HG21 THR 27 HG21 THR 27 -1.824 -1.168 -8.752 190 HG22 THR 27 HG22 THR 27 -0.473 -0.562 -7.723 191 HG23 THR 27 HG23 THR 27 -1.870 -1.416 -6.968 192 H ASN 28 HN ASN 28 -3.846 -3.430 -9.668 193 HA ASN 28 HA ASN 28 -4.969 -3.786 -6.978 194 HB2 ASN 28 HB2 ASN 28 -5.741 -1.801 -9.166 195 HB3 ASN 28 HB1 ASN 28 -6.942 -2.346 -7.945 196 HD21 ASN 28 HD21 ASN 28 -3.655 -0.858 -8.298 197 HD22 ASN 28 HD22 ASN 28 -3.740 0.086 -6.845 198 H CYS 29 HN CYS 29 -5.055 -4.391 -10.493 199 HA CYS 29 HA CYS 29 -7.091 -6.434 -9.905 200 HB2 CYS 29 HB2 CYS 29 -6.890 -4.679 -12.424 201 HB3 CYS 29 HB1 CYS 29 -7.933 -6.134 -12.284 202 H ALA 30 HN ALA 30 -4.428 -6.992 -9.629 203 HA ALA 30 HA ALA 30 -3.130 -7.593 -12.039 204 HB1 ALA 30 HB1 ALA 30 -1.709 -7.588 -10.090 205 HB2 ALA 30 HB2 ALA 30 -1.837 -9.323 -10.566 206 HB3 ALA 30 HB3 ALA 30 -2.829 -8.687 -9.200 207 H LYS 31 HN LYS 31 -5.453 -9.431 -9.978 208 HA LYS 31 HA LYS 31 -5.039 -11.902 -11.254 209 HB2 LYS 31 HB2 LYS 31 -6.376 -11.611 -9.107 210 HB3 LYS 31 HB1 LYS 31 -7.668 -10.837 -10.087 211 HG2 LYS 31 HG2 LYS 31 -7.919 -12.931 -11.425 212 HG3 LYS 31 HG1 LYS 31 -6.631 -13.711 -10.440 213 HD2 LYS 31 HD2 LYS 31 -8.025 -13.407 -8.386 214 HD3 LYS 31 HD1 LYS 31 -9.309 -12.621 -9.369 215 HE2 LYS 31 HE2 LYS 31 -9.608 -14.743 -10.683 216 HE3 LYS 31 HE1 LYS 31 -8.306 -15.535 -9.702 217 HZ1 LYS 31 HZ1 LYS 31 -10.452 -14.259 -8.209 218 HZ2 LYS 31 HZ2 LYS 31 -9.658 -15.740 -7.963 219 HZ3 LYS 31 HZ3 LYS 31 -10.892 -15.620 -9.124 220 H THR 32 HN THR 32 -7.296 -9.143 -11.960 221 HA THR 32 HA THR 32 -8.488 -10.543 -14.155 222 HB THR 32 HB THR 32 -8.432 -7.541 -13.561 223 HG1 THR 32 HG1 THR 32 -10.060 -9.700 -12.806 224 HG21 THR 32 HG21 THR 32 -10.262 -9.205 -15.420 225 HG22 THR 32 HG22 THR 32 -8.920 -8.138 -15.977 226 HG23 THR 32 HG23 THR 32 -10.356 -7.419 -15.144 227 H CYS 33 HN CYS 33 -5.818 -8.177 -13.693 228 HA CYS 33 HA CYS 33 -5.433 -7.671 -16.422 229 HB2 CYS 33 HB2 CYS 33 -3.418 -7.739 -14.106 230 HB3 CYS 33 HB1 CYS 33 -3.016 -7.166 -15.759 231 H GLY 34 HN GLY 34 -4.259 -10.277 -14.205 232 HA2 GLY 34 HA2 GLY 34 -3.889 -12.427 -15.020 233 HA3 GLY 34 HA1 GLY 34 -3.517 -11.719 -16.656 234 H GLU 35 HN GLU 35 -2.241 -9.839 -14.089 235 HA GLU 35 HA GLU 35 0.395 -10.407 -14.913 236 HB2 GLU 35 HB2 GLU 35 -0.663 -9.032 -12.370 237 HB3 GLU 35 HB1 GLU 35 1.083 -9.138 -12.793 238 HG2 GLU 35 HG2 GLU 35 -1.091 -7.743 -14.500 239 HG3 GLU 35 HG1 GLU 35 0.134 -6.921 -13.453 240 H CYS 36 HN CYS 36 -1.741 -11.522 -12.240 241 HA CYS 36 HA CYS 36 0.398 -13.008 -11.039 242 HB2 CYS 36 HB2 CYS 36 -1.900 -12.147 -9.935 243 HB3 CYS 36 HB1 CYS 36 -2.542 -13.679 -10.622 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 1.246 -12.996 -3.488 2 H2 ALA 1 HT2 ALA 1 2.448 -13.951 -4.212 3 H3 ALA 1 HT3 ALA 1 0.845 -14.042 -4.766 4 HA ALA 1 HA ALA 1 2.151 -11.450 -4.810 5 HB1 ALA 1 HB1 ALA 1 2.634 -13.629 -6.922 6 HB2 ALA 1 HB2 ALA 1 3.882 -13.012 -5.774 7 HB3 ALA 1 HB3 ALA 1 3.198 -11.919 -7.035 8 H CYS 2 HN CYS 2 -0.638 -12.497 -4.593 9 HA CYS 2 HA CYS 2 -1.629 -11.092 -6.911 10 HB2 CYS 2 HB2 CYS 2 -1.545 -13.629 -7.538 11 HB3 CYS 2 HB1 CYS 2 -2.756 -13.857 -6.231 12 H LYS 3 HN LYS 3 -3.439 -9.875 -6.314 13 HA LYS 3 HA LYS 3 -5.011 -10.782 -4.108 14 HB2 LYS 3 HB2 LYS 3 -4.716 -8.730 -2.709 15 HB3 LYS 3 HB1 LYS 3 -3.186 -9.672 -2.813 16 HG2 LYS 3 HG2 LYS 3 -2.402 -8.147 -4.665 17 HG3 LYS 3 HG1 LYS 3 -3.902 -7.175 -4.468 18 HD2 LYS 3 HD2 LYS 3 -3.275 -6.667 -2.110 19 HD3 LYS 3 HD1 LYS 3 -1.795 -7.672 -2.274 20 HE2 LYS 3 HE2 LYS 3 -0.936 -6.123 -4.056 21 HE3 LYS 3 HE1 LYS 3 -2.430 -5.112 -3.893 22 HZ1 LYS 3 HZ1 LYS 3 -1.846 -4.558 -1.708 23 HZ2 LYS 3 HZ2 LYS 3 -0.437 -4.362 -2.636 24 HZ3 LYS 3 HZ3 LYS 3 -0.609 -5.717 -1.627 25 H ASP 4 HN ASP 4 -6.913 -9.221 -3.785 26 HA ASP 4 HA ASP 4 -7.310 -7.801 -6.315 27 HB2 ASP 4 HB2 ASP 4 -9.840 -8.049 -5.669 28 HB3 ASP 4 HB1 ASP 4 -9.006 -9.502 -6.310 29 H ASN 5 HN ASN 5 -7.360 -5.586 -6.101 30 HA ASN 5 HA ASN 5 -7.980 -4.633 -3.384 31 HB2 ASN 5 HB2 ASN 5 -6.487 -3.277 -5.705 32 HB3 ASN 5 HB1 ASN 5 -6.955 -2.430 -4.186 33 HD21 ASN 5 HD21 ASN 5 -4.253 -2.795 -5.235 34 HD22 ASN 5 HD22 ASN 5 -3.369 -3.716 -4.062 35 H LEU 6 HN LEU 6 -9.092 -4.986 -6.631 36 HA LEU 6 HA LEU 6 -11.214 -3.071 -6.023 37 HB2 LEU 6 HB2 LEU 6 -9.925 -3.613 -8.769 38 HB3 LEU 6 HB1 LEU 6 -11.399 -2.625 -8.509 39 HG LEU 6 HG LEU 6 -8.702 -1.991 -7.236 40 HD11 LEU 6 HD11 LEU 6 -8.806 -0.054 -9.047 41 HD12 LEU 6 HD12 LEU 6 -9.837 -1.230 -9.944 42 HD13 LEU 6 HD13 LEU 6 -8.151 -1.680 -9.478 43 HD21 LEU 6 HD21 LEU 6 -10.364 -0.886 -5.952 44 HD22 LEU 6 HD22 LEU 6 -11.380 -0.522 -7.398 45 HD23 LEU 6 HD23 LEU 6 -9.835 0.371 -7.134 46 HA PRO 7 HA PRO 7 -13.834 -6.448 -6.814 47 HB2 PRO 7 HB2 PRO 7 -15.972 -5.244 -8.074 48 HB3 PRO 7 HB1 PRO 7 -15.642 -5.092 -6.295 49 HG2 PRO 7 HG2 PRO 7 -15.001 -3.172 -8.560 50 HG3 PRO 7 HG1 PRO 7 -15.623 -2.825 -6.903 51 HD2 PRO 7 HD2 PRO 7 -12.973 -2.498 -7.594 52 HD3 PRO 7 HD1 PRO 7 -13.495 -2.969 -5.925 53 H ALA 8 HN ALA 8 -14.799 -7.819 -8.450 54 HA ALA 8 HA ALA 8 -13.179 -7.897 -10.735 55 HB1 ALA 8 HB1 ALA 8 -15.888 -9.293 -10.486 56 HB2 ALA 8 HB2 ALA 8 -14.423 -9.908 -9.630 57 HB3 ALA 8 HB3 ALA 8 -14.449 -9.833 -11.433 58 H ALA 9 HN ALA 9 -16.445 -6.603 -10.033 59 HA ALA 9 HA ALA 9 -17.205 -6.282 -12.707 60 HB1 ALA 9 HB1 ALA 9 -17.945 -4.665 -10.206 61 HB2 ALA 9 HB2 ALA 9 -18.936 -5.937 -11.014 62 HB3 ALA 9 HB3 ALA 9 -18.672 -4.347 -11.826 63 H THR 10 HN THR 10 -15.293 -4.177 -10.458 64 HA THR 10 HA THR 10 -15.164 -2.079 -12.397 65 HB THR 10 HB THR 10 -13.449 -2.643 -9.935 66 HG1 THR 10 HG1 THR 10 -15.003 -0.407 -10.079 67 HG21 THR 10 HG21 THR 10 -12.051 -1.363 -11.402 68 HG22 THR 10 HG22 THR 10 -12.836 -0.130 -10.342 69 HG23 THR 10 HG23 THR 10 -13.440 -0.392 -12.022 70 H CYS 11 HN CYS 11 -13.012 -4.777 -11.328 71 HA CYS 11 HA CYS 11 -10.859 -4.025 -12.952 72 HB2 CYS 11 HB2 CYS 11 -11.777 -6.819 -12.069 73 HB3 CYS 11 HB1 CYS 11 -10.226 -6.488 -12.903 74 H SER 12 HN SER 12 -13.881 -5.794 -13.625 75 HA SER 12 HA SER 12 -13.088 -6.797 -16.129 76 HB2 SER 12 HB2 SER 12 -15.890 -6.035 -15.126 77 HB3 SER 12 HB1 SER 12 -15.558 -6.936 -16.658 78 HG SER 12 HG SER 12 -14.917 -7.717 -14.000 79 H ASN 13 HN ASN 13 -14.646 -3.755 -15.034 80 HA ASN 13 HA ASN 13 -14.961 -2.796 -17.690 81 HB2 ASN 13 HB2 ASN 13 -15.031 -1.497 -14.932 82 HB3 ASN 13 HB1 ASN 13 -14.993 -0.469 -16.409 83 HD21 ASN 13 HD21 ASN 13 -16.932 -2.557 -14.351 84 HD22 ASN 13 HD22 ASN 13 -18.425 -2.391 -15.213 85 H VAL 14 HN VAL 14 -12.421 -2.772 -15.215 86 HA VAL 14 HA VAL 14 -10.830 -0.779 -16.396 87 HB VAL 14 HB VAL 14 -10.172 -3.207 -14.690 88 HG11 VAL 14 HG11 VAL 14 -8.295 -0.859 -15.421 89 HG12 VAL 14 HG12 VAL 14 -8.268 -2.438 -16.285 90 HG13 VAL 14 HG13 VAL 14 -7.885 -2.367 -14.531 91 HG21 VAL 14 HG21 VAL 14 -11.583 -1.086 -13.939 92 HG22 VAL 14 HG22 VAL 14 -9.983 -0.268 -13.916 93 HG23 VAL 14 HG23 VAL 14 -10.270 -1.713 -12.880 94 H LYS 15 HN LYS 15 -11.074 -4.336 -16.745 95 HA LYS 15 HA LYS 15 -8.953 -4.443 -18.601 96 HB2 LYS 15 HB2 LYS 15 -9.402 -6.553 -17.656 97 HB3 LYS 15 HB1 LYS 15 -11.187 -6.290 -17.708 98 HG2 LYS 15 HG2 LYS 15 -9.850 -6.344 -20.391 99 HG3 LYS 15 HG1 LYS 15 -9.729 -7.879 -19.469 100 HD2 LYS 15 HD2 LYS 15 -12.274 -7.695 -19.078 101 HD3 LYS 15 HD1 LYS 15 -12.274 -6.352 -20.275 102 HE2 LYS 15 HE2 LYS 15 -11.326 -7.903 -22.013 103 HE3 LYS 15 HE1 LYS 15 -11.333 -9.255 -20.805 104 HZ1 LYS 15 HZ1 LYS 15 -13.378 -9.623 -21.453 105 HZ2 LYS 15 HZ2 LYS 15 -13.448 -8.204 -22.384 106 HZ3 LYS 15 HZ3 LYS 15 -13.855 -8.161 -20.735 107 H ALA 16 HN ALA 16 -12.514 -4.006 -18.748 108 HA ALA 16 HA ALA 16 -12.552 -4.250 -21.612 109 HB1 ALA 16 HB1 ALA 16 -14.626 -4.587 -20.113 110 HB2 ALA 16 HB2 ALA 16 -14.879 -3.474 -21.510 111 HB3 ALA 16 HB3 ALA 16 -14.617 -2.802 -19.857 112 H ASN 17 HN ASN 17 -11.251 -1.956 -19.510 113 HA ASN 17 HA ASN 17 -11.797 0.183 -21.459 114 HB2 ASN 17 HB2 ASN 17 -11.301 0.181 -18.476 115 HB3 ASN 17 HB1 ASN 17 -10.499 1.496 -19.418 116 HD21 ASN 17 HD21 ASN 17 -13.624 0.063 -18.438 117 HD22 ASN 17 HD22 ASN 17 -14.606 1.433 -18.856 118 H ASN 18 HN ASN 18 -9.606 -2.238 -20.574 119 HA ASN 18 HA ASN 18 -7.471 -2.587 -21.154 120 HB2 ASN 18 HB2 ASN 18 -7.645 0.012 -22.798 121 HB3 ASN 18 HB1 ASN 18 -6.345 -1.226 -22.922 122 HD21 ASN 18 HD21 ASN 18 -8.924 -0.073 -24.563 123 HD22 ASN 18 HD22 ASN 18 -9.503 -1.513 -25.333 124 H ASN 19 HN ASN 19 -8.445 -0.720 -18.886 125 HA ASN 19 HA ASN 19 -6.158 1.051 -18.675 126 HB2 ASN 19 HB2 ASN 19 -8.541 0.489 -16.820 127 HB3 ASN 19 HB1 ASN 19 -7.165 1.548 -16.340 128 HD21 ASN 19 HD21 ASN 19 -9.877 2.434 -16.488 129 HD22 ASN 19 HD22 ASN 19 -10.002 3.613 -17.748 130 H CYS 20 HN CYS 20 -6.708 -2.200 -18.384 131 HA CYS 20 HA CYS 20 -5.515 -2.712 -15.871 132 HB2 CYS 20 HB2 CYS 20 -6.615 -4.285 -18.015 133 HB3 CYS 20 HB1 CYS 20 -4.900 -4.794 -17.831 134 H SER 21 HN SER 21 -4.329 -1.499 -18.902 135 HA SER 21 HA SER 21 -1.681 -2.572 -18.506 136 HB2 SER 21 HB2 SER 21 -1.008 -1.172 -20.457 137 HB3 SER 21 HB1 SER 21 -2.536 -2.052 -20.860 138 HG SER 21 HG SER 21 -3.636 -0.252 -20.731 139 H SER 22 HN SER 22 -3.628 -0.090 -17.152 140 HA SER 22 HA SER 22 -1.441 1.752 -16.790 141 HB2 SER 22 HB2 SER 22 -3.817 2.635 -16.908 142 HB3 SER 22 HB1 SER 22 -4.206 1.673 -15.424 143 HG SER 22 HG SER 22 -3.207 4.087 -15.583 144 H GLU 23 HN GLU 23 -0.388 2.161 -14.727 145 HA GLU 23 HA GLU 23 -0.105 -0.250 -13.224 146 HB2 GLU 23 HB2 GLU 23 0.923 2.600 -12.691 147 HB3 GLU 23 HB1 GLU 23 1.341 1.171 -11.678 148 HG2 GLU 23 HG2 GLU 23 2.464 0.064 -13.610 149 HG3 GLU 23 HG1 GLU 23 1.984 1.437 -14.689 150 H LYS 24 HN LYS 24 -2.515 2.073 -13.368 151 HA LYS 24 HA LYS 24 -2.916 2.354 -10.582 152 HB2 LYS 24 HB2 LYS 24 -3.752 4.072 -12.250 153 HB3 LYS 24 HB1 LYS 24 -4.870 2.816 -12.893 154 HG2 LYS 24 HG2 LYS 24 -5.973 2.646 -10.686 155 HG3 LYS 24 HG1 LYS 24 -4.847 3.867 -10.016 156 HD2 LYS 24 HD2 LYS 24 -5.701 5.556 -11.648 157 HD3 LYS 24 HD1 LYS 24 -6.825 4.331 -12.330 158 HE2 LYS 24 HE2 LYS 24 -7.991 4.158 -10.112 159 HE3 LYS 24 HE1 LYS 24 -6.852 5.387 -9.419 160 HZ1 LYS 24 HZ1 LYS 24 -8.957 6.321 -10.144 161 HZ2 LYS 24 HZ2 LYS 24 -8.664 5.823 -11.740 162 HZ3 LYS 24 HZ3 LYS 24 -7.650 6.972 -11.008 163 H TYR 25 HN TYR 25 -3.645 0.008 -13.099 164 HA TYR 25 HA TYR 25 -5.314 -1.355 -11.111 165 HB2 TYR 25 HB2 TYR 25 -5.679 -1.298 -14.145 166 HB3 TYR 25 HB1 TYR 25 -6.589 -2.380 -13.015 167 HD1 TYR 25 HD1 TYR 25 -6.091 1.071 -14.171 168 HD2 TYR 25 HD2 TYR 25 -8.282 -1.508 -11.622 169 HE1 TYR 25 HE1 TYR 25 -7.762 2.818 -13.824 170 HE2 TYR 25 HE2 TYR 25 -9.945 0.241 -11.284 171 HH TYR 25 HH TYR 25 -9.700 3.104 -11.519 172 H LYS 26 HN LYS 26 -2.414 -1.285 -12.819 173 HA LYS 26 HA LYS 26 -2.327 -4.035 -13.540 174 HB2 LYS 26 HB2 LYS 26 -0.779 -1.990 -14.333 175 HB3 LYS 26 HB1 LYS 26 0.168 -2.436 -12.874 176 HG2 LYS 26 HG2 LYS 26 0.542 -4.688 -13.707 177 HG3 LYS 26 HG1 LYS 26 -0.604 -4.436 -15.070 178 HD2 LYS 26 HD2 LYS 26 0.928 -2.551 -15.879 179 HD3 LYS 26 HD1 LYS 26 2.108 -3.056 -14.622 180 HE2 LYS 26 HE2 LYS 26 2.249 -5.336 -15.656 181 HE3 LYS 26 HE1 LYS 26 1.043 -4.840 -16.917 182 HZ1 LYS 26 HZ1 LYS 26 2.612 -3.044 -17.510 183 HZ2 LYS 26 HZ2 LYS 26 3.207 -4.611 -17.783 184 HZ3 LYS 26 HZ3 LYS 26 3.754 -3.714 -16.448 185 H THR 27 HN THR 27 -2.099 -2.216 -10.559 186 HA THR 27 HA THR 27 -0.927 -4.605 -9.313 187 HB THR 27 HB THR 27 0.482 -2.472 -9.135 188 HG1 THR 27 HG1 THR 27 -0.621 -3.720 -6.845 189 HG21 THR 27 HG21 THR 27 -1.716 -1.082 -8.918 190 HG22 THR 27 HG22 THR 27 -0.331 -0.637 -7.851 191 HG23 THR 27 HG23 THR 27 -1.706 -1.597 -7.191 192 H ASN 28 HN ASN 28 -3.827 -3.292 -9.975 193 HA ASN 28 HA ASN 28 -4.774 -3.827 -7.241 194 HB2 ASN 28 HB2 ASN 28 -5.805 -1.802 -9.298 195 HB3 ASN 28 HB1 ASN 28 -6.809 -2.367 -7.917 196 HD21 ASN 28 HD21 ASN 28 -3.609 -0.850 -8.721 197 HD22 ASN 28 HD22 ASN 28 -3.505 0.100 -7.272 198 H CYS 29 HN CYS 29 -5.028 -4.323 -10.750 199 HA CYS 29 HA CYS 29 -7.053 -6.372 -10.128 200 HB2 CYS 29 HB2 CYS 29 -6.911 -4.546 -12.606 201 HB3 CYS 29 HB1 CYS 29 -7.929 -6.024 -12.506 202 H ALA 30 HN ALA 30 -4.321 -6.875 -9.982 203 HA ALA 30 HA ALA 30 -3.232 -7.553 -12.489 204 HB1 ALA 30 HB1 ALA 30 -2.624 -8.338 -9.616 205 HB2 ALA 30 HB2 ALA 30 -1.549 -7.527 -10.816 206 HB3 ALA 30 HB3 ALA 30 -1.887 -9.294 -10.954 207 H LYS 31 HN LYS 31 -5.676 -8.978 -10.439 208 HA LYS 31 HA LYS 31 -5.339 -11.633 -11.338 209 HB2 LYS 31 HB2 LYS 31 -7.976 -11.610 -10.732 210 HB3 LYS 31 HB1 LYS 31 -6.708 -11.700 -9.467 211 HG2 LYS 31 HG2 LYS 31 -6.858 -9.363 -8.974 212 HG3 LYS 31 HG1 LYS 31 -7.793 -9.025 -10.473 213 HD2 LYS 31 HD2 LYS 31 -8.835 -10.818 -8.200 214 HD3 LYS 31 HD1 LYS 31 -9.128 -9.047 -8.273 215 HE2 LYS 31 HE2 LYS 31 -10.240 -9.360 -10.537 216 HE3 LYS 31 HE1 LYS 31 -10.026 -11.150 -10.356 217 HZ1 LYS 31 HZ1 LYS 31 -11.277 -10.951 -8.252 218 HZ2 LYS 31 HZ2 LYS 31 -12.174 -10.547 -9.637 219 HZ3 LYS 31 HZ3 LYS 31 -11.594 -9.323 -8.613 220 H THR 32 HN THR 32 -7.258 -8.790 -12.428 221 HA THR 32 HA THR 32 -8.461 -10.399 -14.517 222 HB THR 32 HB THR 32 -8.593 -7.387 -13.979 223 HG1 THR 32 HG1 THR 32 -10.459 -9.494 -13.589 224 HG21 THR 32 HG21 THR 32 -10.464 -7.405 -15.653 225 HG22 THR 32 HG22 THR 32 -10.178 -9.170 -15.949 226 HG23 THR 32 HG23 THR 32 -8.917 -7.967 -16.403 227 H CYS 33 HN CYS 33 -5.821 -8.047 -14.006 228 HA CYS 33 HA CYS 33 -5.411 -7.473 -16.724 229 HB2 CYS 33 HB2 CYS 33 -3.399 -7.617 -14.409 230 HB3 CYS 33 HB1 CYS 33 -3.002 -6.993 -16.041 231 H GLY 34 HN GLY 34 -4.309 -10.145 -14.551 232 HA2 GLY 34 HA2 GLY 34 -3.995 -12.284 -15.441 233 HA3 GLY 34 HA1 GLY 34 -3.506 -11.522 -17.020 234 H GLU 35 HN GLU 35 -2.299 -9.743 -14.383 235 HA GLU 35 HA GLU 35 0.349 -10.474 -15.044 236 HB2 GLU 35 HB2 GLU 35 -0.773 -8.947 -12.621 237 HB3 GLU 35 HB1 GLU 35 0.984 -9.166 -12.936 238 HG2 GLU 35 HG2 GLU 35 -1.007 -7.716 -14.810 239 HG3 GLU 35 HG1 GLU 35 0.212 -6.930 -13.730 240 H CYS 36 HN CYS 36 -2.036 -11.398 -12.521 241 HA CYS 36 HA CYS 36 -0.219 -12.787 -10.899 242 HB2 CYS 36 HB2 CYS 36 -3.180 -13.431 -11.467 243 HB3 CYS 36 HB1 CYS 36 -2.208 -14.147 -10.136
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