NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620884 | 5v2g | 30267 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HN LYS 1 -7.025 5.837 16.414 2 HA LYS 1 HA LYS 1 -9.117 6.378 14.507 3 HB2 LYS 1 HB2 LYS 1 -8.230 7.818 17.017 4 HB3 LYS 1 HB1 LYS 1 -9.633 8.285 16.056 5 HG2 LYS 1 HG2 LYS 1 -10.623 6.055 16.401 6 HG3 LYS 1 HG1 LYS 1 -9.217 5.576 17.351 7 HD2 LYS 1 HD2 LYS 1 -9.697 7.371 18.976 8 HD3 LYS 1 HD1 LYS 1 -11.113 7.842 18.034 9 HE2 LYS 1 HE2 LYS 1 -10.702 5.086 19.230 10 HE3 LYS 1 HE1 LYS 1 -11.674 6.357 19.973 11 HZ1 LYS 1 HZ1 LYS 1 -12.368 4.580 17.883 12 HZ2 LYS 1 HZ2 LYS 1 -12.496 6.185 17.340 13 HZ3 LYS 1 HZ3 LYS 1 -13.352 5.681 18.718 14 H ASN 2 HN ASN 2 -6.018 6.842 14.153 15 HA ASN 2 HA ASN 2 -5.720 9.599 13.656 16 HB2 ASN 2 HB2 ASN 2 -3.668 8.933 12.416 17 HB3 ASN 2 HB1 ASN 2 -3.785 8.125 13.973 18 HD21 ASN 2 HD21 ASN 2 -2.231 7.043 11.843 19 HD22 ASN 2 HD22 ASN 2 -2.980 5.618 11.308 20 HA PRO 3 HA PRO 3 -7.771 10.111 9.775 21 HB2 PRO 3 HB2 PRO 3 -6.176 12.040 8.596 22 HB3 PRO 3 HB1 PRO 3 -7.334 12.379 9.898 23 HG2 PRO 3 HG2 PRO 3 -4.379 11.952 10.063 24 HG3 PRO 3 HG1 PRO 3 -5.390 13.151 10.889 25 HD2 PRO 3 HD2 PRO 3 -4.531 10.937 12.138 26 HD3 PRO 3 HD1 PRO 3 -6.116 11.637 12.493 27 H GLU 4 HN GLU 4 -4.462 9.144 9.922 28 HA GLU 4 HA GLU 4 -3.933 8.761 7.173 29 HB2 GLU 4 HB2 GLU 4 -2.811 7.418 9.628 30 HB3 GLU 4 HB1 GLU 4 -2.194 7.142 8.003 31 HG2 GLU 4 HG2 GLU 4 -1.678 9.515 7.762 32 HG3 GLU 4 HG1 GLU 4 -2.383 9.855 9.340 33 H ALA 5 HN ALA 5 -5.958 7.100 9.367 34 HA ALA 5 HA ALA 5 -5.900 4.478 8.379 35 HB1 ALA 5 HB1 ALA 5 -7.079 5.065 10.437 36 HB2 ALA 5 HB2 ALA 5 -8.189 4.290 9.304 37 HB3 ALA 5 HB3 ALA 5 -8.229 6.040 9.520 38 H GLU 6 HN GLU 6 -7.296 7.393 7.089 39 HA GLU 6 HA GLU 6 -9.174 6.283 5.303 40 HB2 GLU 6 HB2 GLU 6 -7.553 8.831 5.177 41 HB3 GLU 6 HB1 GLU 6 -8.819 8.427 4.017 42 HG2 GLU 6 HG2 GLU 6 -10.465 8.283 5.824 43 HG3 GLU 6 HG1 GLU 6 -9.209 8.603 7.018 44 H GLU 7 HN GLU 7 -5.695 6.818 5.053 45 HA GLU 7 HA GLU 7 -5.418 6.296 2.301 46 HB2 GLU 7 HB2 GLU 7 -3.608 7.303 3.601 47 HB3 GLU 7 HB1 GLU 7 -3.458 5.834 4.566 48 HG2 GLU 7 HG2 GLU 7 -1.744 5.923 2.785 49 HG3 GLU 7 HG1 GLU 7 -2.825 4.555 2.550 50 H ILE 8 HN ILE 8 -5.431 4.164 5.106 51 HA ILE 8 HA ILE 8 -4.694 1.774 3.786 52 HB ILE 8 HB ILE 8 -6.271 2.326 6.305 53 HG12 ILE 8 HG12 ILE 8 -4.222 1.409 7.354 54 HG13 ILE 8 HG11 ILE 8 -3.514 1.175 5.760 55 HG21 ILE 8 HG21 ILE 8 -5.841 -0.201 6.702 56 HG22 ILE 8 HG22 ILE 8 -5.637 -0.298 4.952 57 HG23 ILE 8 HG23 ILE 8 -7.168 0.250 5.631 58 HD11 ILE 8 HD11 ILE 8 -4.507 3.892 6.593 59 HD12 ILE 8 HD12 ILE 8 -3.294 3.475 5.382 60 HD13 ILE 8 HD13 ILE 8 -2.915 3.327 7.096 61 H THR 9 HN THR 9 -7.828 3.308 4.381 62 HA THR 9 HA THR 9 -9.462 1.250 3.363 63 HB THR 9 HB THR 9 -9.919 4.245 3.345 64 HG1 THR 9 HG1 THR 9 -10.288 2.178 5.202 65 HG21 THR 9 HG21 THR 9 -11.495 3.314 1.841 66 HG22 THR 9 HG22 THR 9 -12.359 3.419 3.375 67 HG23 THR 9 HG23 THR 9 -11.713 1.870 2.831 68 H ARG 10 HN ARG 10 -7.850 3.990 1.798 69 HA ARG 10 HA ARG 10 -8.954 3.666 -0.781 70 HB2 ARG 10 HB2 ARG 10 -7.693 5.678 -0.044 71 HB3 ARG 10 HB1 ARG 10 -6.211 4.722 -0.051 72 HG2 ARG 10 HG2 ARG 10 -6.485 4.269 -2.445 73 HG3 ARG 10 HG1 ARG 10 -8.004 5.164 -2.456 74 HD2 ARG 10 HD2 ARG 10 -6.287 6.642 -3.279 75 HD3 ARG 10 HD1 ARG 10 -6.726 7.180 -1.662 76 HE ARG 10 HE ARG 10 -4.566 5.389 -1.420 77 HH11 ARG 10 HH11 ARG 10 -2.470 6.215 -1.167 78 HH12 ARG 10 HH12 ARG 10 -2.120 7.844 -1.634 79 HH21 ARG 10 HH21 ARG 10 -5.342 8.503 -2.725 80 HH22 ARG 10 HH22 ARG 10 -3.744 9.136 -2.520 81 H CYS 11 HN CYS 11 -6.070 2.289 0.760 82 HA CYS 11 HA CYS 11 -4.937 0.998 -1.440 83 HB2 CYS 11 HB2 CYS 11 -4.995 0.310 1.485 84 HB3 CYS 11 HB1 CYS 11 -4.127 -0.677 0.313 85 H LYS 12 HN LYS 12 -7.441 -0.141 0.797 86 HA LYS 12 HA LYS 12 -7.743 -2.722 -0.261 87 HB2 LYS 12 HB2 LYS 12 -8.742 -2.006 1.875 88 HB3 LYS 12 HB1 LYS 12 -9.848 -0.946 1.001 89 HG2 LYS 12 HG2 LYS 12 -10.824 -2.877 -0.158 90 HG3 LYS 12 HG1 LYS 12 -9.686 -3.956 0.650 91 HD2 LYS 12 HD2 LYS 12 -10.624 -3.299 2.836 92 HD3 LYS 12 HD1 LYS 12 -11.766 -2.229 2.020 93 HE2 LYS 12 HE2 LYS 12 -12.733 -4.152 0.826 94 HE3 LYS 12 HE1 LYS 12 -11.583 -5.230 1.618 95 HZ1 LYS 12 HZ1 LYS 12 -12.695 -3.861 3.678 96 HZ2 LYS 12 HZ2 LYS 12 -13.131 -5.427 3.185 97 HZ3 LYS 12 HZ3 LYS 12 -14.010 -4.082 2.630 98 H LYS 13 HN LYS 13 -9.348 0.328 -1.109 99 HA LYS 13 HA LYS 13 -11.089 -0.742 -3.064 100 HB2 LYS 13 HB2 LYS 13 -11.323 1.511 -2.042 101 HB3 LYS 13 HB1 LYS 13 -9.906 2.025 -2.959 102 HG2 LYS 13 HG2 LYS 13 -11.010 1.656 -5.054 103 HG3 LYS 13 HG1 LYS 13 -12.354 0.826 -4.274 104 HD2 LYS 13 HD2 LYS 13 -13.124 3.045 -4.771 105 HD3 LYS 13 HD1 LYS 13 -12.824 2.996 -3.035 106 HE2 LYS 13 HE2 LYS 13 -10.714 4.131 -3.287 107 HE3 LYS 13 HE1 LYS 13 -10.790 3.995 -5.044 108 HZ1 LYS 13 HZ1 LYS 13 -12.978 5.327 -3.624 109 HZ2 LYS 13 HZ2 LYS 13 -12.373 5.606 -5.186 110 HZ3 LYS 13 HZ3 LYS 13 -11.517 6.164 -3.829 111 H LEU 14 HN LEU 14 -7.782 0.485 -3.220 112 HA LEU 14 HA LEU 14 -7.505 0.447 -6.026 113 HB2 LEU 14 HB2 LEU 14 -5.525 0.189 -3.761 114 HB3 LEU 14 HB1 LEU 14 -5.016 0.212 -5.443 115 HG LEU 14 HG LEU 14 -6.771 2.373 -4.244 116 HD11 LEU 14 HD11 LEU 14 -4.838 2.679 -2.964 117 HD12 LEU 14 HD12 LEU 14 -4.469 3.670 -4.365 118 HD13 LEU 14 HD13 LEU 14 -3.770 2.057 -4.218 119 HD21 LEU 14 HD21 LEU 14 -5.243 1.986 -6.826 120 HD22 LEU 14 HD22 LEU 14 -5.538 3.613 -6.224 121 HD23 LEU 14 HD23 LEU 14 -6.893 2.557 -6.589 122 H LEU 15 HN LEU 15 -6.895 -2.030 -3.572 123 HA LEU 15 HA LEU 15 -5.770 -3.952 -5.307 124 HB2 LEU 15 HB2 LEU 15 -7.323 -4.255 -2.724 125 HB3 LEU 15 HB1 LEU 15 -6.472 -5.577 -3.523 126 HG LEU 15 HG LEU 15 -5.146 -2.986 -2.686 127 HD11 LEU 15 HD11 LEU 15 -5.361 -5.646 -1.271 128 HD12 LEU 15 HD12 LEU 15 -5.826 -4.057 -0.660 129 HD13 LEU 15 HD13 LEU 15 -4.122 -4.454 -0.884 130 HD21 LEU 15 HD21 LEU 15 -3.110 -4.678 -2.849 131 HD22 LEU 15 HD22 LEU 15 -3.724 -3.879 -4.287 132 HD23 LEU 15 HD23 LEU 15 -4.191 -5.545 -3.945 133 H ASP 16 HN ASP 16 -9.116 -3.346 -4.311 134 HA ASP 16 HA ASP 16 -10.248 -5.546 -5.718 135 HB2 ASP 16 HB2 ASP 16 -11.411 -2.952 -4.703 136 HB3 ASP 16 HB1 ASP 16 -12.380 -4.192 -5.499 137 H ASP 17 HN ASP 17 -9.635 -2.172 -6.550 138 HA ASP 17 HA ASP 17 -10.959 -2.212 -9.064 139 HB2 ASP 17 HB2 ASP 17 -8.827 -0.404 -7.923 140 HB3 ASP 17 HB1 ASP 17 -9.559 -0.159 -9.505 141 H SER 18 HN SER 18 -8.112 -3.651 -7.998 142 HA SER 18 HA SER 18 -6.390 -3.444 -10.166 143 HB2 SER 18 HB2 SER 18 -5.977 -4.601 -7.917 144 HB3 SER 18 HB1 SER 18 -6.797 -5.992 -8.614 145 HG SER 18 HG SER 18 -5.232 -5.752 -10.388 146 H SER 19 HN SER 19 -9.281 -5.293 -9.777 147 HA SER 19 HA SER 19 -8.844 -6.907 -12.150 148 HB2 SER 19 HB2 SER 19 -11.034 -7.830 -11.723 149 HB3 SER 19 HB1 SER 19 -10.180 -7.711 -10.186 150 HG SER 19 HG SER 19 -11.327 -5.415 -10.460 151 H SER 20 HN SER 20 -9.866 -3.790 -11.556 152 HA SER 20 HA SER 20 -11.728 -3.542 -13.757 153 HB2 SER 20 HB2 SER 20 -10.349 -1.312 -12.257 154 HB3 SER 20 HB1 SER 20 -11.830 -1.212 -13.205 155 HG SER 20 HG SER 20 -11.740 -1.602 -10.696 156 H1 LYS 1 HN LYS 1 -11.376 -2.406 -15.690 157 HA LYS 1 HA LYS 1 -8.736 -2.736 -16.788 158 HB2 LYS 1 HB2 LYS 1 -11.277 -1.563 -17.936 159 HB3 LYS 1 HB1 LYS 1 -9.785 -1.774 -18.852 160 HG2 LYS 1 HG2 LYS 1 -9.839 -4.197 -18.398 161 HG3 LYS 1 HG1 LYS 1 -11.328 -3.990 -17.474 162 HD2 LYS 1 HD2 LYS 1 -12.456 -3.109 -19.488 163 HD3 LYS 1 HD1 LYS 1 -10.972 -3.340 -20.415 164 HE2 LYS 1 HE2 LYS 1 -12.449 -5.562 -18.974 165 HE3 LYS 1 HE1 LYS 1 -12.601 -5.219 -20.698 166 HZ1 LYS 1 HZ1 LYS 1 -10.572 -6.650 -19.344 167 HZ2 LYS 1 HZ2 LYS 1 -9.891 -5.322 -20.156 168 HZ3 LYS 1 HZ3 LYS 1 -10.813 -6.464 -21.013 169 H ASN 2 HN ASN 2 -9.671 -0.589 -14.682 170 HA ASN 2 HA ASN 2 -9.148 1.906 -15.883 171 HB2 ASN 2 HB2 ASN 2 -8.942 2.742 -13.548 172 HB3 ASN 2 HB1 ASN 2 -10.365 1.732 -13.765 173 HD21 ASN 2 HD21 ASN 2 -9.214 2.102 -11.195 174 HD22 ASN 2 HD22 ASN 2 -8.523 0.635 -10.699 175 HA PRO 3 HA PRO 3 -4.735 1.930 -16.153 176 HB2 PRO 3 HB2 PRO 3 -4.207 4.608 -15.687 177 HB3 PRO 3 HB1 PRO 3 -4.851 3.980 -17.217 178 HG2 PRO 3 HG2 PRO 3 -6.302 5.263 -14.940 179 HG3 PRO 3 HG1 PRO 3 -6.524 5.486 -16.686 180 HD2 PRO 3 HD2 PRO 3 -8.180 3.940 -15.233 181 HD3 PRO 3 HD1 PRO 3 -7.785 3.548 -16.911 182 H GLU 4 HN GLU 4 -6.352 2.952 -13.285 183 HA GLU 4 HA GLU 4 -4.126 3.469 -11.619 184 HB2 GLU 4 HB2 GLU 4 -6.925 2.539 -10.989 185 HB3 GLU 4 HB1 GLU 4 -5.742 2.961 -9.755 186 HG2 GLU 4 HG2 GLU 4 -5.547 5.218 -10.670 187 HG3 GLU 4 HG1 GLU 4 -6.650 4.806 -11.982 188 H ALA 5 HN ALA 5 -5.385 0.576 -12.939 189 HA ALA 5 HA ALA 5 -4.719 -1.321 -10.987 190 HB1 ALA 5 HB1 ALA 5 -6.032 -1.896 -12.968 191 HB2 ALA 5 HB2 ALA 5 -4.602 -2.923 -12.874 192 HB3 ALA 5 HB3 ALA 5 -4.643 -1.571 -14.006 193 H GLU 6 HN GLU 6 -2.738 0.509 -13.188 194 HA GLU 6 HA GLU 6 -0.419 -1.094 -13.200 195 HB2 GLU 6 HB2 GLU 6 -0.793 1.893 -13.477 196 HB3 GLU 6 HB1 GLU 6 0.759 1.085 -13.698 197 HG2 GLU 6 HG2 GLU 6 -0.180 -0.294 -15.488 198 HG3 GLU 6 HG1 GLU 6 -1.769 0.429 -15.238 199 H GLU 7 HN GLU 7 -1.620 1.311 -10.918 200 HA GLU 7 HA GLU 7 0.710 1.566 -9.361 201 HB2 GLU 7 HB2 GLU 7 -1.159 3.135 -9.150 202 HB3 GLU 7 HB1 GLU 7 -2.196 1.843 -8.547 203 HG2 GLU 7 HG2 GLU 7 -1.298 3.213 -6.695 204 HG3 GLU 7 HG1 GLU 7 -0.722 1.555 -6.584 205 H ILE 8 HN ILE 8 -1.983 -0.701 -9.209 206 HA ILE 8 HA ILE 8 -1.285 -1.976 -6.782 207 HB ILE 8 HB ILE 8 -2.861 -2.881 -9.197 208 HG12 ILE 8 HG12 ILE 8 -4.739 -2.677 -7.596 209 HG13 ILE 8 HG11 ILE 8 -3.611 -2.183 -6.338 210 HG21 ILE 8 HG21 ILE 8 -3.595 -4.764 -7.572 211 HG22 ILE 8 HG22 ILE 8 -2.107 -4.397 -6.696 212 HG23 ILE 8 HG23 ILE 8 -2.033 -4.934 -8.373 213 HD11 ILE 8 HD11 ILE 8 -3.717 -0.677 -8.943 214 HD12 ILE 8 HD12 ILE 8 -3.181 -0.122 -7.356 215 HD13 ILE 8 HD13 ILE 8 -4.898 -0.351 -7.676 216 H THR 9 HN THR 9 -0.388 -2.599 -10.149 217 HA THR 9 HA THR 9 1.062 -4.978 -9.719 218 HB THR 9 HB THR 9 1.492 -2.817 -11.795 219 HG1 THR 9 HG1 THR 9 -0.179 -5.050 -11.547 220 HG21 THR 9 HG21 THR 9 3.454 -4.132 -11.812 221 HG22 THR 9 HG22 THR 9 2.441 -4.856 -13.060 222 HG23 THR 9 HG23 THR 9 2.566 -5.619 -11.475 223 H ARG 10 HN ARG 10 2.003 -1.566 -9.568 224 HA ARG 10 HA ARG 10 4.776 -1.952 -9.174 225 HB2 ARG 10 HB2 ARG 10 3.746 0.234 -9.740 226 HB3 ARG 10 HB1 ARG 10 3.033 0.296 -8.128 227 HG2 ARG 10 HG2 ARG 10 5.264 0.239 -7.113 228 HG3 ARG 10 HG1 ARG 10 6.005 0.109 -8.708 229 HD2 ARG 10 HD2 ARG 10 6.135 2.419 -8.053 230 HD3 ARG 10 HD1 ARG 10 4.895 2.296 -9.295 231 HE ARG 10 HE ARG 10 3.635 2.021 -6.793 232 HH11 ARG 10 HH11 ARG 10 2.601 3.817 -5.869 233 HH12 ARG 10 HH12 ARG 10 3.007 5.414 -6.396 234 HH21 ARG 10 HH21 ARG 10 5.388 4.341 -8.674 235 HH22 ARG 10 HH22 ARG 10 4.588 5.711 -7.978 236 H CYS 11 HN CYS 11 2.060 -1.738 -6.899 237 HA CYS 11 HA CYS 11 3.471 -1.731 -4.491 238 HB2 CYS 11 HB2 CYS 11 0.782 -2.815 -5.266 239 HB3 CYS 11 HB1 CYS 11 1.384 -2.966 -3.619 240 H LYS 12 HN LYS 12 2.421 -4.471 -6.487 241 HA LYS 12 HA LYS 12 3.278 -6.530 -4.775 242 HB2 LYS 12 HB2 LYS 12 1.834 -6.900 -6.742 243 HB3 LYS 12 HB1 LYS 12 3.189 -6.514 -7.803 244 HG2 LYS 12 HG2 LYS 12 4.466 -8.409 -6.896 245 HG3 LYS 12 HG1 LYS 12 3.145 -8.782 -5.789 246 HD2 LYS 12 HD2 LYS 12 1.651 -9.174 -7.713 247 HD3 LYS 12 HD1 LYS 12 2.980 -8.810 -8.815 248 HE2 LYS 12 HE2 LYS 12 4.276 -10.690 -7.882 249 HE3 LYS 12 HE1 LYS 12 2.950 -11.055 -6.777 250 HZ1 LYS 12 HZ1 LYS 12 1.734 -10.949 -9.193 251 HZ2 LYS 12 HZ2 LYS 12 2.219 -12.371 -8.401 252 HZ3 LYS 12 HZ3 LYS 12 3.226 -11.662 -9.571 253 H LYS 13 HN LYS 13 4.975 -4.810 -7.377 254 HA LYS 13 HA LYS 13 7.390 -6.277 -7.241 255 HB2 LYS 13 HB2 LYS 13 6.746 -4.761 -9.111 256 HB3 LYS 13 HB1 LYS 13 7.027 -3.395 -8.032 257 HG2 LYS 13 HG2 LYS 13 9.352 -3.925 -7.808 258 HG3 LYS 13 HG1 LYS 13 9.139 -5.487 -8.598 259 HD2 LYS 13 HD2 LYS 13 10.097 -4.014 -10.236 260 HD3 LYS 13 HD1 LYS 13 8.400 -4.215 -10.667 261 HE2 LYS 13 HE2 LYS 13 7.825 -2.079 -9.703 262 HE3 LYS 13 HE1 LYS 13 9.436 -1.901 -9.008 263 HZ1 LYS 13 HZ1 LYS 13 9.165 -2.295 -11.899 264 HZ2 LYS 13 HZ2 LYS 13 10.350 -1.443 -11.028 265 HZ3 LYS 13 HZ3 LYS 13 8.807 -0.770 -11.250 266 H LEU 14 HN LEU 14 6.231 -3.409 -5.532 267 HA LEU 14 HA LEU 14 8.641 -2.758 -4.220 268 HB2 LEU 14 HB2 LEU 14 5.739 -2.290 -3.529 269 HB3 LEU 14 HB1 LEU 14 7.047 -1.666 -2.535 270 HG LEU 14 HG LEU 14 6.856 -1.131 -5.511 271 HD11 LEU 14 HD11 LEU 14 4.932 -0.022 -4.786 272 HD12 LEU 14 HD12 LEU 14 6.135 1.235 -4.557 273 HD13 LEU 14 HD13 LEU 14 5.576 0.288 -3.177 274 HD21 LEU 14 HD21 LEU 14 8.557 -0.127 -3.225 275 HD22 LEU 14 HD22 LEU 14 8.250 0.923 -4.602 276 HD23 LEU 14 HD23 LEU 14 9.051 -0.621 -4.842 277 H LEU 15 HN LEU 15 5.974 -4.889 -3.297 278 HA LEU 15 HA LEU 15 6.911 -5.490 -0.702 279 HB2 LEU 15 HB2 LEU 15 5.208 -7.086 -2.633 280 HB3 LEU 15 HB1 LEU 15 5.467 -7.533 -0.947 281 HG LEU 15 HG LEU 15 4.351 -4.857 -1.828 282 HD11 LEU 15 HD11 LEU 15 2.962 -7.400 -0.971 283 HD12 LEU 15 HD12 LEU 15 2.724 -6.490 -2.464 284 HD13 LEU 15 HD13 LEU 15 2.179 -5.821 -0.925 285 HD21 LEU 15 HD21 LEU 15 3.516 -5.050 0.676 286 HD22 LEU 15 HD22 LEU 15 5.143 -4.491 0.326 287 HD23 LEU 15 HD23 LEU 15 4.880 -6.160 0.833 288 H ASP 16 HN ASP 16 7.481 -7.040 -3.834 289 HA ASP 16 HA ASP 16 9.053 -9.185 -2.814 290 HB2 ASP 16 HB2 ASP 16 8.839 -7.926 -5.549 291 HB3 ASP 16 HB1 ASP 16 9.865 -9.319 -5.211 292 H ASP 17 HN ASP 17 9.825 -5.964 -4.036 293 HA ASP 17 HA ASP 17 12.646 -6.262 -3.988 294 HB2 ASP 17 HB2 ASP 17 10.866 -3.823 -3.946 295 HB3 ASP 17 HB1 ASP 17 12.623 -3.743 -4.014 296 H SER 18 HN SER 18 10.372 -6.043 -1.521 297 HA SER 18 HA SER 18 11.614 -4.507 0.428 298 HB2 SER 18 HB2 SER 18 9.331 -5.683 0.527 299 HB3 SER 18 HB1 SER 18 10.220 -7.105 1.039 300 HG SER 18 HG SER 18 11.130 -5.712 2.705 301 H SER 19 HN SER 19 12.350 -7.686 -0.708 302 HA SER 19 HA SER 19 14.188 -8.287 1.455 303 HB2 SER 19 HB2 SER 19 14.668 -10.329 0.254 304 HB3 SER 19 HB1 SER 19 12.926 -10.062 0.218 305 HG SER 19 HG SER 19 13.804 -8.783 -1.842 306 H SER 20 HN SER 20 14.323 -6.442 -1.313 307 HA SER 20 HA SER 20 17.126 -6.842 -1.931 308 HB2 SER 20 HB2 SER 20 15.357 -4.576 -2.854 309 HB3 SER 20 HB1 SER 20 16.848 -5.152 -3.596 310 HG SER 20 HG SER 20 14.459 -5.919 -4.188 311 H1 LYS 1 HN LYS 1 18.792 -5.310 -1.620 312 HA LYS 1 HA LYS 1 18.620 -3.902 0.884 313 HB2 LYS 1 HB2 LYS 1 20.816 -4.102 -1.186 314 HB3 LYS 1 HB1 LYS 1 20.986 -3.259 0.353 315 HG2 LYS 1 HG2 LYS 1 20.468 -5.342 1.562 316 HG3 LYS 1 HG1 LYS 1 20.278 -6.190 0.027 317 HD2 LYS 1 HD2 LYS 1 22.629 -5.672 -0.544 318 HD3 LYS 1 HD1 LYS 1 22.819 -4.854 1.006 319 HE2 LYS 1 HE2 LYS 1 22.023 -7.763 0.696 320 HE3 LYS 1 HE1 LYS 1 23.662 -7.209 1.038 321 HZ1 LYS 1 HZ1 LYS 1 21.508 -7.559 2.825 322 HZ2 LYS 1 HZ2 LYS 1 21.988 -5.929 2.839 323 HZ3 LYS 1 HZ3 LYS 1 23.120 -7.153 3.169 324 H ASN 2 HN ASN 2 17.275 -3.117 -1.867 325 HA ASN 2 HA ASN 2 18.263 -0.550 -2.478 326 HB2 ASN 2 HB2 ASN 2 16.129 -0.257 -3.714 327 HB3 ASN 2 HB1 ASN 2 16.867 -1.817 -4.052 328 HD21 ASN 2 HD21 ASN 2 14.083 -1.401 -4.424 329 HD22 ASN 2 HD22 ASN 2 13.243 -2.299 -3.255 330 HA PRO 3 HA PRO 3 16.602 1.921 0.791 331 HB2 PRO 3 HB2 PRO 3 16.079 4.281 -0.558 332 HB3 PRO 3 HB1 PRO 3 17.708 3.750 -0.094 333 HG2 PRO 3 HG2 PRO 3 16.323 3.505 -2.731 334 HG3 PRO 3 HG1 PRO 3 18.001 3.957 -2.380 335 HD2 PRO 3 HD2 PRO 3 17.352 1.490 -3.212 336 HD3 PRO 3 HD1 PRO 3 18.672 1.755 -2.066 337 H GLU 4 HN GLU 4 14.757 1.277 -2.057 338 HA GLU 4 HA GLU 4 12.326 2.542 -1.372 339 HB2 GLU 4 HB2 GLU 4 12.910 0.133 -3.088 340 HB3 GLU 4 HB1 GLU 4 11.311 0.856 -2.943 341 HG2 GLU 4 HG2 GLU 4 12.162 2.986 -3.775 342 HG3 GLU 4 HG1 GLU 4 13.801 2.341 -3.829 343 H ALA 5 HN ALA 5 13.908 -0.209 -0.100 344 HA ALA 5 HA ALA 5 11.766 -1.801 0.755 345 HB1 ALA 5 HB1 ALA 5 14.100 -2.546 0.890 346 HB2 ALA 5 HB2 ALA 5 13.334 -2.635 2.478 347 HB3 ALA 5 HB3 ALA 5 14.435 -1.310 2.103 348 H GLU 6 HN GLU 6 12.986 1.241 1.922 349 HA GLU 6 HA GLU 6 11.915 1.220 4.533 350 HB2 GLU 6 HB2 GLU 6 12.486 3.489 2.621 351 HB3 GLU 6 HB1 GLU 6 11.976 3.732 4.292 352 HG2 GLU 6 HG2 GLU 6 13.917 2.472 5.094 353 HG3 GLU 6 HG1 GLU 6 14.417 2.152 3.435 354 H GLU 7 HN GLU 7 10.508 2.036 1.400 355 HA GLU 7 HA GLU 7 8.115 3.184 2.333 356 HB2 GLU 7 HB2 GLU 7 8.811 3.390 -0.002 357 HB3 GLU 7 HB1 GLU 7 8.655 1.647 -0.221 358 HG2 GLU 7 HG2 GLU 7 6.669 2.842 -1.081 359 HG3 GLU 7 HG1 GLU 7 6.234 1.790 0.259 360 H ILE 8 HN ILE 8 9.012 -0.157 1.666 361 HA ILE 8 HA ILE 8 6.457 -1.319 2.001 362 HB ILE 8 HB ILE 8 9.254 -2.414 2.315 363 HG12 ILE 8 HG12 ILE 8 8.643 -3.584 0.224 364 HG13 ILE 8 HG11 ILE 8 7.058 -2.831 0.260 365 HG21 ILE 8 HG21 ILE 8 8.012 -4.675 2.253 366 HG22 ILE 8 HG22 ILE 8 6.586 -3.760 2.745 367 HG23 ILE 8 HG23 ILE 8 8.012 -3.791 3.780 368 HD11 ILE 8 HD11 ILE 8 9.548 -1.146 0.319 369 HD12 ILE 8 HD12 ILE 8 7.924 -0.713 -0.223 370 HD13 ILE 8 HD13 ILE 8 8.927 -1.776 -1.206 371 H THR 9 HN THR 9 9.072 -0.624 4.275 372 HA THR 9 HA THR 9 7.937 -1.852 6.542 373 HB THR 9 HB THR 9 9.727 0.584 6.373 374 HG1 THR 9 HG1 THR 9 10.112 -2.183 6.354 375 HG21 THR 9 HG21 THR 9 8.869 0.613 8.561 376 HG22 THR 9 HG22 THR 9 10.356 -0.319 8.727 377 HG23 THR 9 HG23 THR 9 8.799 -1.147 8.662 378 H ARG 10 HN ARG 10 7.574 1.399 5.179 379 HA ARG 10 HA ARG 10 6.006 2.513 7.249 380 HB2 ARG 10 HB2 ARG 10 7.069 3.841 5.440 381 HB3 ARG 10 HB1 ARG 10 5.920 3.158 4.290 382 HG2 ARG 10 HG2 ARG 10 4.050 4.115 5.552 383 HG3 ARG 10 HG1 ARG 10 5.168 4.755 6.758 384 HD2 ARG 10 HD2 ARG 10 4.635 6.556 5.255 385 HD3 ARG 10 HD1 ARG 10 6.282 6.047 4.900 386 HE ARG 10 HE ARG 10 4.547 4.601 3.216 387 HH11 ARG 10 HH11 ARG 10 4.255 5.289 1.076 388 HH12 ARG 10 HH12 ARG 10 4.643 6.916 0.631 389 HH21 ARG 10 HH21 ARG 10 5.625 7.836 3.825 390 HH22 ARG 10 HH22 ARG 10 5.414 8.358 2.188 391 H CYS 11 HN CYS 11 5.132 0.713 4.317 392 HA CYS 11 HA CYS 11 2.355 0.974 4.424 393 HB2 CYS 11 HB2 CYS 11 4.135 -1.228 3.426 394 HB3 CYS 11 HB1 CYS 11 2.382 -1.330 3.309 395 H LYS 12 HN LYS 12 4.460 -1.394 6.021 396 HA LYS 12 HA LYS 12 2.436 -2.953 7.196 397 HB2 LYS 12 HB2 LYS 12 4.801 -3.638 7.116 398 HB3 LYS 12 HB1 LYS 12 5.211 -2.353 8.253 399 HG2 LYS 12 HG2 LYS 12 3.746 -3.362 9.951 400 HG3 LYS 12 HG1 LYS 12 3.285 -4.629 8.814 401 HD2 LYS 12 HD2 LYS 12 5.632 -5.369 8.690 402 HD3 LYS 12 HD1 LYS 12 6.092 -4.101 9.829 403 HE2 LYS 12 HE2 LYS 12 4.597 -5.086 11.529 404 HE3 LYS 12 HE1 LYS 12 4.142 -6.355 10.392 405 HZ1 LYS 12 HZ1 LYS 12 6.849 -6.423 10.353 406 HZ2 LYS 12 HZ2 LYS 12 5.852 -7.469 11.246 407 HZ3 LYS 12 HZ3 LYS 12 6.517 -6.090 11.983 408 H LYS 13 HN LYS 13 4.149 -0.081 8.389 409 HA LYS 13 HA LYS 13 2.909 0.025 10.930 410 HB2 LYS 13 HB2 LYS 13 4.956 1.293 10.290 411 HB3 LYS 13 HB1 LYS 13 3.939 2.325 9.284 412 HG2 LYS 13 HG2 LYS 13 2.704 3.121 11.178 413 HG3 LYS 13 HG1 LYS 13 3.428 1.911 12.238 414 HD2 LYS 13 HD2 LYS 13 4.569 3.980 12.677 415 HD3 LYS 13 HD1 LYS 13 5.676 2.981 11.740 416 HE2 LYS 13 HE2 LYS 13 5.171 4.184 9.713 417 HE3 LYS 13 HE1 LYS 13 3.856 5.058 10.498 418 HZ1 LYS 13 HZ1 LYS 13 6.543 5.223 11.645 419 HZ2 LYS 13 HZ2 LYS 13 5.298 6.378 11.632 420 HZ3 LYS 13 HZ3 LYS 13 6.219 6.102 10.232 421 H LEU 14 HN LEU 14 2.027 1.345 7.773 422 HA LEU 14 HA LEU 14 -0.154 2.919 8.621 423 HB2 LEU 14 HB2 LEU 14 0.503 1.555 6.010 424 HB3 LEU 14 HB1 LEU 14 -0.930 2.554 6.200 425 HG LEU 14 HG LEU 14 1.852 3.544 6.883 426 HD11 LEU 14 HD11 LEU 14 2.112 3.212 4.585 427 HD12 LEU 14 HD12 LEU 14 1.442 4.835 4.606 428 HD13 LEU 14 HD13 LEU 14 0.402 3.457 4.239 429 HD21 LEU 14 HD21 LEU 14 -0.897 4.775 6.609 430 HD22 LEU 14 HD22 LEU 14 0.530 5.760 6.304 431 HD23 LEU 14 HD23 LEU 14 0.304 5.012 7.877 432 H LEU 15 HN LEU 15 0.033 -0.466 7.603 433 HA LEU 15 HA LEU 15 -2.744 -0.979 7.655 434 HB2 LEU 15 HB2 LEU 15 -0.364 -2.802 8.090 435 HB3 LEU 15 HB1 LEU 15 -2.021 -3.372 7.898 436 HG LEU 15 HG LEU 15 -0.597 -1.630 5.870 437 HD11 LEU 15 HD11 LEU 15 -0.922 -4.632 6.017 438 HD12 LEU 15 HD12 LEU 15 0.582 -3.715 5.907 439 HD13 LEU 15 HD13 LEU 15 -0.517 -3.779 4.528 440 HD21 LEU 15 HD21 LEU 15 -2.501 -2.766 4.431 441 HD22 LEU 15 HD22 LEU 15 -2.864 -1.358 5.416 442 HD23 LEU 15 HD23 LEU 15 -3.292 -2.968 5.997 443 H ASP 16 HN ASP 16 -0.241 -1.276 10.144 444 HA ASP 16 HA ASP 16 -1.942 -2.369 12.147 445 HB2 ASP 16 HB2 ASP 16 0.678 -0.875 12.284 446 HB3 ASP 16 HB1 ASP 16 -0.137 -1.518 13.710 447 H ASP 17 HN ASP 17 -1.009 0.924 11.277 448 HA ASP 17 HA ASP 17 -2.287 2.212 13.461 449 HB2 ASP 17 HB2 ASP 17 -1.418 3.210 10.746 450 HB3 ASP 17 HB1 ASP 17 -2.117 4.249 11.984 451 H SER 18 HN SER 18 -3.511 0.620 10.766 452 HA SER 18 HA SER 18 -5.717 2.132 10.020 453 HB2 SER 18 HB2 SER 18 -4.888 -0.060 8.996 454 HB3 SER 18 HB1 SER 18 -5.774 -0.867 10.283 455 HG SER 18 HG SER 18 -7.613 0.454 9.526 456 H SER 19 HN SER 19 -5.182 0.215 12.840 457 HA SER 19 HA SER 19 -7.961 0.256 13.678 458 HB2 SER 19 HB2 SER 19 -7.204 -0.875 15.671 459 HB3 SER 19 HB1 SER 19 -6.383 -1.595 14.288 460 HG SER 19 HG SER 19 -4.836 0.333 14.931 461 H SER 20 HN SER 20 -5.423 2.415 13.762 462 HA SER 20 HA SER 20 -6.111 3.760 16.232 463 HB2 SER 20 HB2 SER 20 -4.386 4.814 13.988 464 HB3 SER 20 HB1 SER 20 -4.406 5.344 15.667 465 HG SER 20 HG SER 20 -2.851 3.560 14.679 466 H2 ZBR 100 HA3 TBS 100 -2.164 -0.215 -1.254 467 H4 ZBR 100 HC3 TBS 100 0.622 -0.020 2.081 468 H6 ZBR 100 HB3 TBS 100 2.001 -1.313 -1.841 469 H7 ZBR 100 HB11 TBS 100 -1.288 -0.439 -3.442 470 H7A ZBR 100 HB12 TBS 100 -0.750 -2.105 -3.248 471 H8 ZBR 100 HA11 TBS 100 -1.505 0.978 2.262 472 H8A ZBR 100 HA12 TBS 100 -2.458 -0.453 1.877 473 H9 ZBR 100 HC11 TBS 100 3.563 -0.827 -0.134 474 H9A ZBR 100 HC12 TBS 100 2.932 -1.878 1.132 Start of MODEL 2 1 H1 LYS 1 HN LYS 1 -7.580 5.066 16.795 2 HA LYS 1 HA LYS 1 -9.645 5.395 14.824 3 HB2 LYS 1 HB2 LYS 1 -9.133 6.693 17.502 4 HB3 LYS 1 HB1 LYS 1 -10.509 7.117 16.482 5 HG2 LYS 1 HG2 LYS 1 -11.251 4.765 16.498 6 HG3 LYS 1 HG1 LYS 1 -9.873 4.336 17.512 7 HD2 LYS 1 HD2 LYS 1 -10.681 5.857 19.272 8 HD3 LYS 1 HD1 LYS 1 -12.058 6.301 18.262 9 HE2 LYS 1 HE2 LYS 1 -11.454 3.477 19.189 10 HE3 LYS 1 HE1 LYS 1 -12.625 4.552 19.956 11 HZ1 LYS 1 HZ1 LYS 1 -12.691 3.505 17.181 12 HZ2 LYS 1 HZ2 LYS 1 -13.718 4.737 17.743 13 HZ3 LYS 1 HZ3 LYS 1 -13.794 3.186 18.429 14 H ASN 2 HN ASN 2 -6.683 6.407 14.631 15 HA ASN 2 HA ASN 2 -6.771 9.195 14.399 16 HB2 ASN 2 HB2 ASN 2 -4.723 8.941 13.008 17 HB3 ASN 2 HB1 ASN 2 -4.651 7.974 14.479 18 HD21 ASN 2 HD21 ASN 2 -3.094 7.335 12.156 19 HD22 ASN 2 HD22 ASN 2 -3.668 5.863 11.534 20 HA PRO 3 HA PRO 3 -9.068 9.880 10.679 21 HB2 PRO 3 HB2 PRO 3 -7.812 12.151 9.715 22 HB3 PRO 3 HB1 PRO 3 -8.945 12.155 11.082 23 HG2 PRO 3 HG2 PRO 3 -5.956 12.139 11.107 24 HG3 PRO 3 HG1 PRO 3 -7.083 13.074 12.106 25 HD2 PRO 3 HD2 PRO 3 -5.868 10.861 13.045 26 HD3 PRO 3 HD1 PRO 3 -7.522 11.281 13.524 27 H GLU 4 HN GLU 4 -5.654 9.389 10.602 28 HA GLU 4 HA GLU 4 -5.213 9.424 7.811 29 HB2 GLU 4 HB2 GLU 4 -3.777 7.889 9.989 30 HB3 GLU 4 HB1 GLU 4 -3.193 8.086 8.337 31 HG2 GLU 4 HG2 GLU 4 -3.818 10.388 10.207 32 HG3 GLU 4 HG1 GLU 4 -2.201 9.740 9.938 33 H ALA 5 HN ALA 5 -6.970 7.305 9.766 34 HA ALA 5 HA ALA 5 -6.566 4.817 8.548 35 HB1 ALA 5 HB1 ALA 5 -8.560 4.126 9.597 36 HB2 ALA 5 HB2 ALA 5 -9.259 5.745 9.535 37 HB3 ALA 5 HB3 ALA 5 -7.939 5.395 10.653 38 H GLU 6 HN GLU 6 -8.265 7.647 7.463 39 HA GLU 6 HA GLU 6 -10.007 6.497 5.581 40 HB2 GLU 6 HB2 GLU 6 -8.609 9.180 5.639 41 HB3 GLU 6 HB1 GLU 6 -9.829 8.749 4.439 42 HG2 GLU 6 HG2 GLU 6 -11.470 8.351 6.209 43 HG3 GLU 6 HG1 GLU 6 -10.255 8.689 7.441 44 H GLU 7 HN GLU 7 -6.594 7.410 5.360 45 HA GLU 7 HA GLU 7 -6.299 7.026 2.574 46 HB2 GLU 7 HB2 GLU 7 -4.643 8.187 4.051 47 HB3 GLU 7 HB1 GLU 7 -4.200 6.617 4.720 48 HG2 GLU 7 HG2 GLU 7 -2.625 7.170 2.957 49 HG3 GLU 7 HG1 GLU 7 -3.644 5.848 2.391 50 H ILE 8 HN ILE 8 -5.975 4.838 5.332 51 HA ILE 8 HA ILE 8 -4.999 2.592 3.910 52 HB ILE 8 HB ILE 8 -6.480 2.917 6.526 53 HG12 ILE 8 HG12 ILE 8 -4.306 2.125 7.423 54 HG13 ILE 8 HG11 ILE 8 -3.688 1.977 5.779 55 HG21 ILE 8 HG21 ILE 8 -7.266 0.787 5.864 56 HG22 ILE 8 HG22 ILE 8 -5.831 0.411 6.814 57 HG23 ILE 8 HG23 ILE 8 -5.757 0.379 5.054 58 HD11 ILE 8 HD11 ILE 8 -3.133 4.144 7.089 59 HD12 ILE 8 HD12 ILE 8 -4.810 4.594 6.778 60 HD13 ILE 8 HD13 ILE 8 -3.707 4.308 5.431 61 H THR 9 HN THR 9 -8.274 3.734 4.625 62 HA THR 9 HA THR 9 -9.696 1.493 3.729 63 HB THR 9 HB THR 9 -10.472 4.420 3.607 64 HG1 THR 9 HG1 THR 9 -10.134 3.897 5.693 65 HG21 THR 9 HG21 THR 9 -11.979 3.244 2.198 66 HG22 THR 9 HG22 THR 9 -12.808 3.377 3.749 67 HG23 THR 9 HG23 THR 9 -12.035 1.858 3.289 68 H ARG 10 HN ARG 10 -8.514 4.345 1.982 69 HA ARG 10 HA ARG 10 -9.610 3.630 -0.542 70 HB2 ARG 10 HB2 ARG 10 -7.288 5.400 0.224 71 HB3 ARG 10 HB1 ARG 10 -7.836 5.201 -1.440 72 HG2 ARG 10 HG2 ARG 10 -10.160 5.873 -0.622 73 HG3 ARG 10 HG1 ARG 10 -9.390 6.328 0.900 74 HD2 ARG 10 HD2 ARG 10 -8.630 7.405 -1.824 75 HD3 ARG 10 HD1 ARG 10 -9.620 8.256 -0.643 76 HE ARG 10 HE ARG 10 -6.734 7.826 -0.516 77 HH11 ARG 10 HH11 ARG 10 -5.693 8.990 1.135 78 HH12 ARG 10 HH12 ARG 10 -6.627 9.748 2.380 79 HH21 ARG 10 HH21 ARG 10 -9.674 8.707 1.097 80 HH22 ARG 10 HH22 ARG 10 -8.881 9.589 2.359 81 H CYS 11 HN CYS 11 -6.568 2.900 1.086 82 HA CYS 11 HA CYS 11 -5.113 1.795 -1.012 83 HB2 CYS 11 HB2 CYS 11 -4.389 2.172 1.410 84 HB3 CYS 11 HB1 CYS 11 -5.163 0.629 1.769 85 H LYS 12 HN LYS 12 -7.468 0.220 1.136 86 HA LYS 12 HA LYS 12 -7.303 -2.348 -0.040 87 HB2 LYS 12 HB2 LYS 12 -8.344 -1.908 2.166 88 HB3 LYS 12 HB1 LYS 12 -9.669 -1.074 1.355 89 HG2 LYS 12 HG2 LYS 12 -10.267 -3.116 0.150 90 HG3 LYS 12 HG1 LYS 12 -8.891 -3.963 0.858 91 HD2 LYS 12 HD2 LYS 12 -9.843 -3.604 3.116 92 HD3 LYS 12 HD1 LYS 12 -11.232 -2.793 2.390 93 HE2 LYS 12 HE2 LYS 12 -10.405 -5.640 1.757 94 HE3 LYS 12 HE1 LYS 12 -11.658 -5.210 2.921 95 HZ1 LYS 12 HZ1 LYS 12 -11.837 -5.380 0.108 96 HZ2 LYS 12 HZ2 LYS 12 -12.207 -3.797 0.603 97 HZ3 LYS 12 HZ3 LYS 12 -13.072 -5.112 1.239 98 H LYS 13 HN LYS 13 -9.420 0.428 -0.669 99 HA LYS 13 HA LYS 13 -11.061 -0.806 -2.606 100 HB2 LYS 13 HB2 LYS 13 -11.591 1.349 -1.479 101 HB3 LYS 13 HB1 LYS 13 -10.314 2.122 -2.420 102 HG2 LYS 13 HG2 LYS 13 -11.449 1.515 -4.507 103 HG3 LYS 13 HG1 LYS 13 -12.704 0.670 -3.599 104 HD2 LYS 13 HD2 LYS 13 -13.294 2.803 -2.470 105 HD3 LYS 13 HD1 LYS 13 -12.084 3.635 -3.447 106 HE2 LYS 13 HE2 LYS 13 -14.456 2.101 -4.552 107 HE3 LYS 13 HE1 LYS 13 -14.359 3.856 -4.415 108 HZ1 LYS 13 HZ1 LYS 13 -12.075 3.266 -5.694 109 HZ2 LYS 13 HZ2 LYS 13 -13.517 3.729 -6.466 110 HZ3 LYS 13 HZ3 LYS 13 -13.116 2.084 -6.324 111 H LEU 14 HN LEU 14 -7.991 0.934 -2.855 112 HA LEU 14 HA LEU 14 -7.855 1.079 -5.665 113 HB2 LEU 14 HB2 LEU 14 -5.759 1.003 -3.499 114 HB3 LEU 14 HB1 LEU 14 -5.337 1.188 -5.200 115 HG LEU 14 HG LEU 14 -7.376 3.003 -3.888 116 HD11 LEU 14 HD11 LEU 14 -4.362 3.151 -3.776 117 HD12 LEU 14 HD12 LEU 14 -5.538 3.462 -2.503 118 HD13 LEU 14 HD13 LEU 14 -5.321 4.633 -3.796 119 HD21 LEU 14 HD21 LEU 14 -6.373 4.557 -5.702 120 HD22 LEU 14 HD22 LEU 14 -7.385 3.228 -6.268 121 HD23 LEU 14 HD23 LEU 14 -5.626 3.102 -6.363 122 H LEU 15 HN LEU 15 -6.756 -1.393 -3.387 123 HA LEU 15 HA LEU 15 -5.516 -3.060 -5.319 124 HB2 LEU 15 HB2 LEU 15 -6.685 -3.663 -2.597 125 HB3 LEU 15 HB1 LEU 15 -5.759 -4.824 -3.553 126 HG LEU 15 HG LEU 15 -4.731 -2.090 -2.744 127 HD11 LEU 15 HD11 LEU 15 -3.393 -3.255 -1.059 128 HD12 LEU 15 HD12 LEU 15 -4.118 -4.793 -1.524 129 HD13 LEU 15 HD13 LEU 15 -5.111 -3.541 -0.776 130 HD21 LEU 15 HD21 LEU 15 -2.499 -3.477 -3.254 131 HD22 LEU 15 HD22 LEU 15 -3.384 -2.675 -4.546 132 HD23 LEU 15 HD23 LEU 15 -3.590 -4.408 -4.287 133 H ASP 16 HN ASP 16 -8.783 -2.927 -3.990 134 HA ASP 16 HA ASP 16 -9.773 -5.276 -5.201 135 HB2 ASP 16 HB2 ASP 16 -11.142 -2.751 -4.268 136 HB3 ASP 16 HB1 ASP 16 -12.020 -4.147 -4.891 137 H ASP 17 HN ASP 17 -9.560 -1.948 -6.322 138 HA ASP 17 HA ASP 17 -11.113 -2.252 -8.669 139 HB2 ASP 17 HB2 ASP 17 -8.944 -0.289 -7.917 140 HB3 ASP 17 HB1 ASP 17 -9.850 -0.195 -9.427 141 H SER 18 HN SER 18 -8.119 -3.538 -7.833 142 HA SER 18 HA SER 18 -6.679 -3.410 -10.221 143 HB2 SER 18 HB2 SER 18 -5.356 -5.198 -9.350 144 HB3 SER 18 HB1 SER 18 -5.879 -4.239 -7.969 145 HG SER 18 HG SER 18 -7.168 -5.808 -7.342 146 H SER 19 HN SER 19 -9.481 -5.150 -9.421 147 HA SER 19 HA SER 19 -9.177 -7.197 -11.438 148 HB2 SER 19 HB2 SER 19 -11.402 -7.901 -10.816 149 HB3 SER 19 HB1 SER 19 -10.510 -7.532 -9.342 150 HG SER 19 HG SER 19 -12.088 -6.201 -8.960 151 H SER 20 HN SER 20 -10.120 -3.984 -11.419 152 HA SER 20 HA SER 20 -11.940 -4.118 -13.674 153 HB2 SER 20 HB2 SER 20 -12.139 -2.361 -11.916 154 HB3 SER 20 HB1 SER 20 -10.605 -1.688 -12.459 155 HG SER 20 HG SER 20 -13.018 -1.251 -13.439 156 H1 LYS 1 HN LYS 1 -11.536 -3.305 -15.755 157 HA LYS 1 HA LYS 1 -8.856 -3.773 -16.711 158 HB2 LYS 1 HB2 LYS 1 -11.420 -2.950 -18.074 159 HB3 LYS 1 HB1 LYS 1 -9.890 -3.110 -18.937 160 HG2 LYS 1 HG2 LYS 1 -9.708 -5.453 -18.194 161 HG3 LYS 1 HG1 LYS 1 -11.232 -5.296 -17.320 162 HD2 LYS 1 HD2 LYS 1 -12.403 -4.800 -19.429 163 HD3 LYS 1 HD1 LYS 1 -10.882 -4.943 -20.312 164 HE2 LYS 1 HE2 LYS 1 -12.147 -7.158 -18.670 165 HE3 LYS 1 HE1 LYS 1 -12.231 -7.031 -20.427 166 HZ1 LYS 1 HZ1 LYS 1 -9.811 -7.404 -18.754 167 HZ2 LYS 1 HZ2 LYS 1 -9.747 -6.995 -20.403 168 HZ3 LYS 1 HZ3 LYS 1 -10.440 -8.467 -19.917 169 H ASN 2 HN ASN 2 -9.874 -1.333 -15.016 170 HA ASN 2 HA ASN 2 -9.440 0.970 -16.552 171 HB2 ASN 2 HB2 ASN 2 -9.082 2.108 -14.366 172 HB3 ASN 2 HB1 ASN 2 -10.509 1.074 -14.354 173 HD21 ASN 2 HD21 ASN 2 -9.149 1.798 -11.943 174 HD22 ASN 2 HD22 ASN 2 -8.446 0.396 -11.297 175 HA PRO 3 HA PRO 3 -5.055 1.028 -17.149 176 HB2 PRO 3 HB2 PRO 3 -4.570 3.753 -17.106 177 HB3 PRO 3 HB1 PRO 3 -5.310 2.904 -18.479 178 HG2 PRO 3 HG2 PRO 3 -6.624 4.465 -16.295 179 HG3 PRO 3 HG1 PRO 3 -6.972 4.451 -18.031 180 HD2 PRO 3 HD2 PRO 3 -8.492 3.085 -16.277 181 HD3 PRO 3 HD1 PRO 3 -8.186 2.470 -17.910 182 H GLU 4 HN GLU 4 -6.491 2.431 -14.344 183 HA GLU 4 HA GLU 4 -4.169 3.222 -12.941 184 HB2 GLU 4 HB2 GLU 4 -6.856 2.297 -11.899 185 HB3 GLU 4 HB1 GLU 4 -5.607 3.075 -10.926 186 HG2 GLU 4 HG2 GLU 4 -6.843 4.311 -13.401 187 HG3 GLU 4 HG1 GLU 4 -7.360 4.669 -11.755 188 H ALA 5 HN ALA 5 -5.314 0.167 -13.816 189 HA ALA 5 HA ALA 5 -4.557 -1.445 -11.654 190 HB1 ALA 5 HB1 ALA 5 -4.686 -3.271 -13.142 191 HB2 ALA 5 HB2 ALA 5 -4.230 -2.285 -14.532 192 HB3 ALA 5 HB3 ALA 5 -5.825 -2.097 -13.802 193 H GLU 6 HN GLU 6 -2.663 0.206 -14.057 194 HA GLU 6 HA GLU 6 -0.295 -1.305 -13.959 195 HB2 GLU 6 HB2 GLU 6 -0.766 1.646 -14.438 196 HB3 GLU 6 HB1 GLU 6 0.804 0.868 -14.638 197 HG2 GLU 6 HG2 GLU 6 -0.135 -0.655 -16.311 198 HG3 GLU 6 HG1 GLU 6 -1.734 0.049 -16.079 199 H GLU 7 HN GLU 7 -1.507 1.293 -11.881 200 HA GLU 7 HA GLU 7 0.845 1.667 -10.361 201 HB2 GLU 7 HB2 GLU 7 -1.126 3.215 -10.374 202 HB3 GLU 7 HB1 GLU 7 -2.014 2.018 -9.431 203 HG2 GLU 7 HG2 GLU 7 -1.064 3.665 -7.912 204 HG3 GLU 7 HG1 GLU 7 -0.223 2.135 -7.682 205 H ILE 8 HN ILE 8 -1.920 -0.498 -9.972 206 HA ILE 8 HA ILE 8 -1.200 -1.565 -7.451 207 HB ILE 8 HB ILE 8 -2.909 -2.583 -9.728 208 HG12 ILE 8 HG12 ILE 8 -4.695 -2.244 -8.036 209 HG13 ILE 8 HG11 ILE 8 -3.481 -1.717 -6.871 210 HG21 ILE 8 HG21 ILE 8 -2.100 -4.627 -8.835 211 HG22 ILE 8 HG22 ILE 8 -3.611 -4.361 -7.970 212 HG23 ILE 8 HG23 ILE 8 -2.073 -4.000 -7.190 213 HD11 ILE 8 HD11 ILE 8 -4.763 0.105 -8.196 214 HD12 ILE 8 HD12 ILE 8 -3.739 -0.361 -9.554 215 HD13 ILE 8 HD13 ILE 8 -3.011 0.256 -8.069 216 H THR 9 HN THR 9 -0.370 -2.491 -10.765 217 HA THR 9 HA THR 9 0.896 -4.925 -10.210 218 HB THR 9 HB THR 9 1.531 -2.888 -12.361 219 HG1 THR 9 HG1 THR 9 -0.521 -3.543 -12.648 220 HG21 THR 9 HG21 THR 9 3.373 -4.369 -12.292 221 HG22 THR 9 HG22 THR 9 2.324 -5.033 -13.543 222 HG23 THR 9 HG23 THR 9 2.350 -5.761 -11.938 223 H ARG 10 HN ARG 10 2.148 -1.608 -10.247 224 HA ARG 10 HA ARG 10 4.844 -2.294 -9.665 225 HB2 ARG 10 HB2 ARG 10 3.267 0.248 -9.253 226 HB3 ARG 10 HB1 ARG 10 4.986 0.116 -8.882 227 HG2 ARG 10 HG2 ARG 10 5.312 -0.704 -11.277 228 HG3 ARG 10 HG1 ARG 10 3.642 -0.220 -11.573 229 HD2 ARG 10 HD2 ARG 10 5.825 1.601 -10.536 230 HD3 ARG 10 HD1 ARG 10 5.252 1.557 -12.201 231 HE ARG 10 HE ARG 10 3.853 2.693 -9.904 232 HH11 ARG 10 HH11 ARG 10 1.995 3.884 -10.444 233 HH12 ARG 10 HH12 ARG 10 1.328 3.771 -12.038 234 HH21 ARG 10 HH21 ARG 10 3.740 1.557 -13.177 235 HH22 ARG 10 HH22 ARG 10 2.318 2.456 -13.587 236 H CYS 11 HN CYS 11 2.021 -1.611 -7.664 237 HA CYS 11 HA CYS 11 3.204 -1.354 -5.159 238 HB2 CYS 11 HB2 CYS 11 0.735 -1.144 -5.813 239 HB3 CYS 11 HB1 CYS 11 0.657 -2.894 -5.619 240 H LYS 12 HN LYS 12 2.182 -4.316 -6.838 241 HA LYS 12 HA LYS 12 2.991 -6.119 -4.813 242 HB2 LYS 12 HB2 LYS 12 1.478 -6.737 -6.671 243 HB3 LYS 12 HB1 LYS 12 2.824 -6.589 -7.801 244 HG2 LYS 12 HG2 LYS 12 4.043 -8.362 -6.627 245 HG3 LYS 12 HG1 LYS 12 2.755 -8.476 -5.426 246 HD2 LYS 12 HD2 LYS 12 1.161 -9.115 -7.206 247 HD3 LYS 12 HD1 LYS 12 2.465 -9.031 -8.392 248 HE2 LYS 12 HE2 LYS 12 2.498 -10.835 -5.957 249 HE3 LYS 12 HE1 LYS 12 2.020 -11.361 -7.571 250 HZ1 LYS 12 HZ1 LYS 12 4.621 -11.024 -6.506 251 HZ2 LYS 12 HZ2 LYS 12 4.423 -10.034 -7.872 252 HZ3 LYS 12 HZ3 LYS 12 4.153 -11.707 -7.985 253 H LYS 13 HN LYS 13 4.657 -4.829 -7.664 254 HA LYS 13 HA LYS 13 7.021 -6.353 -7.416 255 HB2 LYS 13 HB2 LYS 13 6.384 -5.067 -9.450 256 HB3 LYS 13 HB1 LYS 13 6.734 -3.573 -8.578 257 HG2 LYS 13 HG2 LYS 13 9.058 -4.270 -8.253 258 HG3 LYS 13 HG1 LYS 13 8.727 -5.812 -9.046 259 HD2 LYS 13 HD2 LYS 13 8.102 -4.584 -11.117 260 HD3 LYS 13 HD1 LYS 13 8.528 -3.068 -10.321 261 HE2 LYS 13 HE2 LYS 13 10.426 -5.393 -10.756 262 HE3 LYS 13 HE1 LYS 13 10.382 -3.927 -11.735 263 HZ1 LYS 13 HZ1 LYS 13 10.520 -2.958 -9.224 264 HZ2 LYS 13 HZ2 LYS 13 11.850 -3.161 -10.262 265 HZ3 LYS 13 HZ3 LYS 13 11.479 -4.351 -9.107 266 H LEU 14 HN LEU 14 6.047 -3.242 -6.052 267 HA LEU 14 HA LEU 14 8.527 -2.518 -4.929 268 HB2 LEU 14 HB2 LEU 14 5.670 -1.876 -4.198 269 HB3 LEU 14 HB1 LEU 14 7.038 -1.172 -3.339 270 HG LEU 14 HG LEU 14 6.835 -1.017 -6.357 271 HD11 LEU 14 HD11 LEU 14 5.476 0.694 -4.273 272 HD12 LEU 14 HD12 LEU 14 4.842 0.088 -5.801 273 HD13 LEU 14 HD13 LEU 14 6.000 1.411 -5.799 274 HD21 LEU 14 HD21 LEU 14 8.161 1.136 -5.809 275 HD22 LEU 14 HD22 LEU 14 9.008 -0.392 -5.576 276 HD23 LEU 14 HD23 LEU 14 8.343 0.471 -4.187 277 H LEU 15 HN LEU 15 5.833 -4.412 -3.642 278 HA LEU 15 HA LEU 15 6.926 -4.768 -1.048 279 HB2 LEU 15 HB2 LEU 15 4.934 -6.405 -2.629 280 HB3 LEU 15 HB1 LEU 15 5.316 -6.686 -0.928 281 HG LEU 15 HG LEU 15 4.323 -4.044 -2.034 282 HD11 LEU 15 HD11 LEU 15 2.161 -4.615 -1.059 283 HD12 LEU 15 HD12 LEU 15 2.793 -6.167 -0.511 284 HD13 LEU 15 HD13 LEU 15 2.627 -5.842 -2.237 285 HD21 LEU 15 HD21 LEU 15 3.749 -3.882 0.571 286 HD22 LEU 15 HD22 LEU 15 5.346 -3.454 -0.029 287 HD23 LEU 15 HD23 LEU 15 5.081 -5.036 0.704 288 H ASP 16 HN ASP 16 7.138 -6.636 -4.032 289 HA ASP 16 HA ASP 16 8.496 -8.873 -2.973 290 HB2 ASP 16 HB2 ASP 16 8.410 -7.687 -5.747 291 HB3 ASP 16 HB1 ASP 16 9.261 -9.184 -5.370 292 H ASP 17 HN ASP 17 9.637 -5.795 -4.236 293 HA ASP 17 HA ASP 17 12.398 -6.420 -4.285 294 HB2 ASP 17 HB2 ASP 17 10.919 -3.792 -4.100 295 HB3 ASP 17 HB1 ASP 17 12.674 -3.904 -4.220 296 H SER 18 HN SER 18 10.271 -6.053 -1.704 297 HA SER 18 HA SER 18 11.813 -4.724 0.208 298 HB2 SER 18 HB2 SER 18 10.340 -5.662 1.836 299 HB3 SER 18 HB1 SER 18 9.384 -5.409 0.380 300 HG SER 18 HG SER 18 9.325 -7.523 0.024 301 H SER 19 HN SER 19 12.174 -7.804 -1.174 302 HA SER 19 HA SER 19 13.716 -8.950 0.982 303 HB2 SER 19 HB2 SER 19 14.075 -10.825 -0.503 304 HB3 SER 19 HB1 SER 19 12.387 -10.337 -0.621 305 HG SER 19 HG SER 19 12.794 -10.132 -2.670 306 H SER 20 HN SER 20 14.333 -6.813 -1.528 307 HA SER 20 HA SER 20 17.140 -7.456 -1.872 308 HB2 SER 20 HB2 SER 20 15.772 -6.466 -3.709 309 HB3 SER 20 HB1 SER 20 15.641 -4.984 -2.766 310 HG SER 20 HG SER 20 17.603 -5.737 -4.369 311 H1 LYS 1 HN LYS 1 18.889 -6.195 -1.192 312 HA LYS 1 HA LYS 1 18.539 -4.938 1.375 313 HB2 LYS 1 HB2 LYS 1 20.948 -5.364 -0.393 314 HB3 LYS 1 HB1 LYS 1 21.030 -4.525 1.156 315 HG2 LYS 1 HG2 LYS 1 20.098 -6.515 2.284 316 HG3 LYS 1 HG1 LYS 1 20.023 -7.354 0.733 317 HD2 LYS 1 HD2 LYS 1 22.461 -7.156 0.488 318 HD3 LYS 1 HD1 LYS 1 22.554 -6.292 2.023 319 HE2 LYS 1 HE2 LYS 1 21.461 -9.103 1.706 320 HE3 LYS 1 HE1 LYS 1 23.098 -8.723 2.244 321 HZ1 LYS 1 HZ1 LYS 1 20.548 -8.024 3.585 322 HZ2 LYS 1 HZ2 LYS 1 22.044 -7.353 4.028 323 HZ3 LYS 1 HZ3 LYS 1 21.785 -9.025 4.171 324 H ASN 2 HN ASN 2 17.640 -3.822 -1.415 325 HA ASN 2 HA ASN 2 18.999 -1.406 -1.820 326 HB2 ASN 2 HB2 ASN 2 16.954 -0.704 -3.059 327 HB3 ASN 2 HB1 ASN 2 17.488 -2.322 -3.507 328 HD21 ASN 2 HD21 ASN 2 14.779 -1.458 -3.867 329 HD22 ASN 2 HD22 ASN 2 13.799 -2.359 -2.814 330 HA PRO 3 HA PRO 3 17.665 1.141 1.542 331 HB2 PRO 3 HB2 PRO 3 17.621 3.623 0.319 332 HB3 PRO 3 HB1 PRO 3 19.113 2.787 0.803 333 HG2 PRO 3 HG2 PRO 3 17.816 2.933 -1.886 334 HG3 PRO 3 HG1 PRO 3 19.530 3.063 -1.457 335 HD2 PRO 3 HD2 PRO 3 18.493 0.785 -2.456 336 HD3 PRO 3 HD1 PRO 3 19.793 0.760 -1.252 337 H GLU 4 HN GLU 4 15.855 0.969 -1.388 338 HA GLU 4 HA GLU 4 13.655 2.607 -0.708 339 HB2 GLU 4 HB2 GLU 4 13.798 0.191 -2.525 340 HB3 GLU 4 HB1 GLU 4 12.442 1.315 -2.446 341 HG2 GLU 4 HG2 GLU 4 15.289 2.130 -3.090 342 HG3 GLU 4 HG1 GLU 4 14.046 1.829 -4.304 343 H ALA 5 HN ALA 5 14.714 -0.341 0.552 344 HA ALA 5 HA ALA 5 12.330 -1.667 1.178 345 HB1 ALA 5 HB1 ALA 5 13.595 -2.944 2.699 346 HB2 ALA 5 HB2 ALA 5 14.710 -1.618 3.027 347 HB3 ALA 5 HB3 ALA 5 14.770 -2.458 1.477 348 H GLU 6 HN GLU 6 13.795 1.175 2.546 349 HA GLU 6 HA GLU 6 12.579 1.199 5.079 350 HB2 GLU 6 HB2 GLU 6 13.424 3.452 3.244 351 HB3 GLU 6 HB1 GLU 6 12.875 3.703 4.902 352 HG2 GLU 6 HG2 GLU 6 14.675 2.281 5.746 353 HG3 GLU 6 HG1 GLU 6 15.198 1.930 4.101 354 H GLU 7 HN GLU 7 11.414 2.275 1.911 355 HA GLU 7 HA GLU 7 9.059 3.555 2.811 356 HB2 GLU 7 HB2 GLU 7 10.026 3.770 0.510 357 HB3 GLU 7 HB1 GLU 7 9.484 2.124 0.175 358 HG2 GLU 7 HG2 GLU 7 7.813 3.674 -0.667 359 HG3 GLU 7 HG1 GLU 7 7.142 2.839 0.732 360 H ILE 8 HN ILE 8 9.759 0.214 1.895 361 HA ILE 8 HA ILE 8 7.108 -0.771 2.032 362 HB ILE 8 HB ILE 8 9.827 -2.070 2.275 363 HG12 ILE 8 HG12 ILE 8 9.109 -3.102 0.136 364 HG13 ILE 8 HG11 ILE 8 7.563 -2.261 0.255 365 HG21 ILE 8 HG21 ILE 8 8.551 -3.487 3.680 366 HG22 ILE 8 HG22 ILE 8 8.429 -4.258 2.102 367 HG23 ILE 8 HG23 ILE 8 7.093 -3.286 2.715 368 HD11 ILE 8 HD11 ILE 8 9.422 -1.185 -1.199 369 HD12 ILE 8 HD12 ILE 8 10.162 -0.730 0.336 370 HD13 ILE 8 HD13 ILE 8 8.548 -0.147 -0.075 371 H THR 9 HN THR 9 9.660 -0.423 4.461 372 HA THR 9 HA THR 9 8.441 -1.840 6.545 373 HB THR 9 HB THR 9 10.240 0.593 6.693 374 HG1 THR 9 HG1 THR 9 11.306 -1.017 5.662 375 HG21 THR 9 HG21 THR 9 9.287 0.347 8.842 376 HG22 THR 9 HG22 THR 9 10.817 -0.524 8.943 377 HG23 THR 9 HG23 THR 9 9.307 -1.414 8.743 378 H ARG 10 HN ARG 10 8.170 1.559 5.576 379 HA ARG 10 HA ARG 10 6.441 2.343 7.692 380 HB2 ARG 10 HB2 ARG 10 6.911 3.491 4.936 381 HB3 ARG 10 HB1 ARG 10 5.846 4.243 6.124 382 HG2 ARG 10 HG2 ARG 10 7.823 4.198 7.740 383 HG3 ARG 10 HG1 ARG 10 8.822 3.751 6.355 384 HD2 ARG 10 HD2 ARG 10 7.088 6.225 6.518 385 HD3 ARG 10 HD1 ARG 10 8.831 6.198 6.769 386 HE ARG 10 HE ARG 10 7.430 5.936 4.219 387 HH11 ARG 10 HH11 ARG 10 8.789 6.020 2.400 388 HH12 ARG 10 HH12 ARG 10 10.504 5.882 2.594 389 HH21 ARG 10 HH21 ARG 10 10.355 5.581 6.045 390 HH22 ARG 10 HH22 ARG 10 11.391 5.636 4.658 391 H CYS 11 HN CYS 11 5.895 0.987 4.481 392 HA CYS 11 HA CYS 11 3.152 1.352 4.215 393 HB2 CYS 11 HB2 CYS 11 4.812 0.300 2.568 394 HB3 CYS 11 HB1 CYS 11 4.550 -1.205 3.447 395 H LYS 12 HN LYS 12 4.893 -1.299 5.826 396 HA LYS 12 HA LYS 12 2.597 -2.726 6.659 397 HB2 LYS 12 HB2 LYS 12 4.883 -3.682 6.646 398 HB3 LYS 12 HB1 LYS 12 5.320 -2.614 7.979 399 HG2 LYS 12 HG2 LYS 12 3.617 -3.639 9.405 400 HG3 LYS 12 HG1 LYS 12 3.081 -4.658 8.069 401 HD2 LYS 12 HD2 LYS 12 5.326 -5.699 7.974 402 HD3 LYS 12 HD1 LYS 12 5.835 -4.701 9.336 403 HE2 LYS 12 HE2 LYS 12 3.501 -6.630 9.427 404 HE3 LYS 12 HE1 LYS 12 5.120 -7.010 10.010 405 HZ1 LYS 12 HZ1 LYS 12 3.068 -5.556 11.296 406 HZ2 LYS 12 HZ2 LYS 12 4.438 -4.567 11.114 407 HZ3 LYS 12 HZ3 LYS 12 4.565 -6.060 11.915 408 H LYS 13 HN LYS 13 4.541 -0.217 8.237 409 HA LYS 13 HA LYS 13 3.192 -0.225 10.717 410 HB2 LYS 13 HB2 LYS 13 5.389 0.874 10.314 411 HB3 LYS 13 HB1 LYS 13 4.563 2.116 9.372 412 HG2 LYS 13 HG2 LYS 13 3.218 2.739 11.325 413 HG3 LYS 13 HG1 LYS 13 3.973 1.458 12.274 414 HD2 LYS 13 HD2 LYS 13 6.186 2.533 11.927 415 HD3 LYS 13 HD1 LYS 13 5.392 3.842 11.050 416 HE2 LYS 13 HE2 LYS 13 4.798 3.072 13.921 417 HE3 LYS 13 HE1 LYS 13 5.804 4.433 13.430 418 HZ1 LYS 13 HZ1 LYS 13 3.574 4.828 11.988 419 HZ2 LYS 13 HZ2 LYS 13 3.892 5.559 13.488 420 HZ3 LYS 13 HZ3 LYS 13 2.932 4.160 13.409 421 H LEU 14 HN LEU 14 2.608 1.525 7.701 422 HA LEU 14 HA LEU 14 0.584 3.245 8.639 423 HB2 LEU 14 HB2 LEU 14 1.200 2.082 5.924 424 HB3 LEU 14 HB1 LEU 14 -0.109 3.236 6.175 425 HG LEU 14 HG LEU 14 2.708 3.828 7.119 426 HD11 LEU 14 HD11 LEU 14 1.546 4.070 4.344 427 HD12 LEU 14 HD12 LEU 14 3.160 3.562 4.838 428 HD13 LEU 14 HD13 LEU 14 2.720 5.263 4.904 429 HD21 LEU 14 HD21 LEU 14 1.808 6.205 6.644 430 HD22 LEU 14 HD22 LEU 14 1.118 5.367 8.033 431 HD23 LEU 14 HD23 LEU 14 0.219 5.453 6.516 432 H LEU 15 HN LEU 15 0.448 -0.011 7.273 433 HA LEU 15 HA LEU 15 -2.383 -0.210 7.252 434 HB2 LEU 15 HB2 LEU 15 -0.221 -2.322 7.356 435 HB3 LEU 15 HB1 LEU 15 -1.937 -2.676 7.135 436 HG LEU 15 HG LEU 15 -0.336 -0.830 5.338 437 HD11 LEU 15 HD11 LEU 15 -0.317 -2.652 3.719 438 HD12 LEU 15 HD12 LEU 15 -1.194 -3.691 4.842 439 HD13 LEU 15 HD13 LEU 15 0.454 -3.180 5.216 440 HD21 LEU 15 HD21 LEU 15 -2.423 -1.522 3.819 441 HD22 LEU 15 HD22 LEU 15 -2.543 -0.192 4.964 442 HD23 LEU 15 HD23 LEU 15 -3.194 -1.776 5.388 443 H ASP 16 HN ASP 16 0.078 -1.042 9.636 444 HA ASP 16 HA ASP 16 -1.619 -2.340 11.482 445 HB2 ASP 16 HB2 ASP 16 0.999 -0.877 11.823 446 HB3 ASP 16 HB1 ASP 16 0.187 -1.712 13.146 447 H ASP 17 HN ASP 17 -0.745 1.040 11.042 448 HA ASP 17 HA ASP 17 -1.930 2.039 13.409 449 HB2 ASP 17 HB2 ASP 17 -1.285 3.350 10.765 450 HB3 ASP 17 HB1 ASP 17 -1.925 4.232 12.151 451 H SER 18 HN SER 18 -3.318 0.679 10.667 452 HA SER 18 HA SER 18 -5.609 2.229 10.276 453 HB2 SER 18 HB2 SER 18 -6.508 0.347 9.115 454 HB3 SER 18 HB1 SER 18 -4.770 0.324 8.839 455 HG SER 18 HG SER 18 -4.570 -1.382 10.116 456 H SER 19 HN SER 19 -4.733 0.182 12.837 457 HA SER 19 HA SER 19 -7.418 -0.350 13.761 458 HB2 SER 19 HB2 SER 19 -6.365 -1.400 15.670 459 HB3 SER 19 HB1 SER 19 -5.504 -1.891 14.213 460 HG SER 19 HG SER 19 -3.815 -1.108 15.181 461 H SER 20 HN SER 20 -5.300 2.238 13.956 462 HA SER 20 HA SER 20 -6.234 3.288 16.495 463 HB2 SER 20 HB2 SER 20 -3.932 3.733 15.603 464 HB3 SER 20 HB1 SER 20 -4.665 4.719 14.341 465 HG SER 20 HG SER 20 -4.054 5.421 16.811 466 H2 ZBR 100 HA3 TBS 100 -1.508 0.905 -2.237 467 H4 ZBR 100 HC3 TBS 100 0.252 1.578 1.653 468 H6 ZBR 100 HB3 TBS 100 2.682 0.064 -1.593 469 H7 ZBR 100 HB11 TBS 100 1.561 0.485 -3.969 470 H7A ZBR 100 HB12 TBS 100 -0.187 0.214 -4.044 471 H8 ZBR 100 HA11 TBS 100 -2.527 2.476 -0.388 472 H8A ZBR 100 HA12 TBS 100 -1.977 2.203 1.271 473 H9 ZBR 100 HC11 TBS 100 2.891 1.724 1.553 474 H9A ZBR 100 HC12 TBS 100 3.696 0.594 0.455 Start of MODEL 3 1 H1 LYS 1 HN LYS 1 -7.426 5.316 16.322 2 HA LYS 1 HA LYS 1 -9.321 5.851 14.237 3 HB2 LYS 1 HB2 LYS 1 -8.757 7.239 16.866 4 HB3 LYS 1 HB1 LYS 1 -10.074 7.688 15.780 5 HG2 LYS 1 HG2 LYS 1 -10.984 5.401 15.933 6 HG3 LYS 1 HG1 LYS 1 -9.674 4.954 17.025 7 HD2 LYS 1 HD2 LYS 1 -10.429 6.660 18.638 8 HD3 LYS 1 HD1 LYS 1 -11.740 7.111 17.547 9 HE2 LYS 1 HE2 LYS 1 -12.658 4.828 17.697 10 HE3 LYS 1 HE1 LYS 1 -11.347 4.370 18.785 11 HZ1 LYS 1 HZ1 LYS 1 -12.146 5.733 20.458 12 HZ2 LYS 1 HZ2 LYS 1 -13.570 5.087 19.794 13 HZ3 LYS 1 HZ3 LYS 1 -13.089 6.668 19.402 14 H ASN 2 HN ASN 2 -6.264 6.425 14.101 15 HA ASN 2 HA ASN 2 -5.904 9.160 13.879 16 HB2 ASN 2 HB2 ASN 2 -3.975 8.603 12.385 17 HB3 ASN 2 HB1 ASN 2 -3.985 7.728 13.915 18 HD21 ASN 2 HD21 ASN 2 -2.733 6.829 11.350 19 HD22 ASN 2 HD22 ASN 2 -3.497 5.367 10.956 20 HA PRO 3 HA PRO 3 -8.058 10.439 10.185 21 HB2 PRO 3 HB2 PRO 3 -5.573 11.931 9.415 22 HB3 PRO 3 HB1 PRO 3 -7.234 12.528 9.609 23 HG2 PRO 3 HG2 PRO 3 -5.383 13.061 11.425 24 HG3 PRO 3 HG1 PRO 3 -7.049 12.682 11.910 25 HD2 PRO 3 HD2 PRO 3 -4.605 10.929 12.020 26 HD3 PRO 3 HD1 PRO 3 -5.947 11.097 13.174 27 H GLU 4 HN GLU 4 -4.800 9.172 9.906 28 HA GLU 4 HA GLU 4 -4.671 8.833 7.114 29 HB2 GLU 4 HB2 GLU 4 -3.339 7.237 9.309 30 HB3 GLU 4 HB1 GLU 4 -2.905 7.163 7.606 31 HG2 GLU 4 HG2 GLU 4 -2.893 9.722 9.223 32 HG3 GLU 4 HG1 GLU 4 -1.467 8.716 8.981 33 H ALA 5 HN ALA 5 -6.614 7.302 9.413 34 HA ALA 5 HA ALA 5 -6.814 4.678 8.459 35 HB1 ALA 5 HB1 ALA 5 -9.055 6.377 9.586 36 HB2 ALA 5 HB2 ALA 5 -7.853 5.540 10.567 37 HB3 ALA 5 HB3 ALA 5 -8.974 4.616 9.569 38 H GLU 6 HN GLU 6 -8.252 7.682 7.303 39 HA GLU 6 HA GLU 6 -10.160 6.575 5.542 40 HB2 GLU 6 HB2 GLU 6 -8.621 9.179 5.465 41 HB3 GLU 6 HB1 GLU 6 -9.921 8.785 4.340 42 HG2 GLU 6 HG2 GLU 6 -11.495 8.532 6.190 43 HG3 GLU 6 HG1 GLU 6 -10.204 8.809 7.358 44 H GLU 7 HN GLU 7 -6.729 7.346 5.153 45 HA GLU 7 HA GLU 7 -6.579 6.844 2.376 46 HB2 GLU 7 HB2 GLU 7 -4.846 8.040 3.822 47 HB3 GLU 7 HB1 GLU 7 -4.313 6.434 4.321 48 HG2 GLU 7 HG2 GLU 7 -2.938 7.107 2.451 49 HG3 GLU 7 HG1 GLU 7 -4.038 5.853 1.880 50 H ILE 8 HN ILE 8 -6.297 4.798 5.213 51 HA ILE 8 HA ILE 8 -5.286 2.470 3.937 52 HB ILE 8 HB ILE 8 -7.151 2.624 6.327 53 HG12 ILE 8 HG12 ILE 8 -5.227 4.062 6.678 54 HG13 ILE 8 HG11 ILE 8 -5.032 2.622 7.657 55 HG21 ILE 8 HG21 ILE 8 -6.066 0.368 4.933 56 HG22 ILE 8 HG22 ILE 8 -6.912 0.362 6.474 57 HG23 ILE 8 HG23 ILE 8 -5.162 0.503 6.435 58 HD11 ILE 8 HD11 ILE 8 -3.690 1.735 5.572 59 HD12 ILE 8 HD12 ILE 8 -2.918 2.840 6.706 60 HD13 ILE 8 HD13 ILE 8 -3.555 3.449 5.179 61 H THR 9 HN THR 9 -8.598 3.638 4.488 62 HA THR 9 HA THR 9 -9.959 1.382 3.488 63 HB THR 9 HB THR 9 -10.779 4.299 3.433 64 HG1 THR 9 HG1 THR 9 -10.633 3.792 5.507 65 HG21 THR 9 HG21 THR 9 -13.101 3.207 3.426 66 HG22 THR 9 HG22 THR 9 -12.279 1.724 2.941 67 HG23 THR 9 HG23 THR 9 -12.200 3.154 1.911 68 H ARG 10 HN ARG 10 -8.717 4.292 1.893 69 HA ARG 10 HA ARG 10 -9.734 3.763 -0.691 70 HB2 ARG 10 HB2 ARG 10 -7.330 5.323 0.272 71 HB3 ARG 10 HB1 ARG 10 -7.811 5.255 -1.422 72 HG2 ARG 10 HG2 ARG 10 -9.957 6.241 -0.932 73 HG3 ARG 10 HG1 ARG 10 -9.671 6.120 0.805 74 HD2 ARG 10 HD2 ARG 10 -9.269 8.418 -0.063 75 HD3 ARG 10 HD1 ARG 10 -7.831 7.709 0.653 76 HE ARG 10 HE ARG 10 -6.837 7.658 -1.453 77 HH11 ARG 10 HH11 ARG 10 -6.774 8.242 -3.648 78 HH12 ARG 10 HH12 ARG 10 -8.224 8.746 -4.452 79 HH21 ARG 10 HH21 ARG 10 -10.223 8.374 -1.642 80 HH22 ARG 10 HH22 ARG 10 -10.177 8.822 -3.315 81 H CYS 11 HN CYS 11 -6.750 2.799 0.934 82 HA CYS 11 HA CYS 11 -5.401 1.660 -1.237 83 HB2 CYS 11 HB2 CYS 11 -4.560 2.061 1.145 84 HB3 CYS 11 HB1 CYS 11 -5.338 0.535 1.556 85 H LYS 12 HN LYS 12 -7.757 0.228 1.011 86 HA LYS 12 HA LYS 12 -7.641 -2.398 -0.014 87 HB2 LYS 12 HB2 LYS 12 -9.848 -0.893 1.404 88 HB3 LYS 12 HB1 LYS 12 -9.946 -2.609 1.006 89 HG2 LYS 12 HG2 LYS 12 -7.875 -3.019 2.296 90 HG3 LYS 12 HG1 LYS 12 -7.801 -1.306 2.710 91 HD2 LYS 12 HD2 LYS 12 -9.981 -1.473 3.842 92 HD3 LYS 12 HD1 LYS 12 -10.075 -3.183 3.420 93 HE2 LYS 12 HE2 LYS 12 -8.016 -3.616 4.711 94 HE3 LYS 12 HE1 LYS 12 -7.927 -1.908 5.139 95 HZ1 LYS 12 HZ1 LYS 12 -10.291 -3.586 5.742 96 HZ2 LYS 12 HZ2 LYS 12 -9.907 -2.054 6.371 97 HZ3 LYS 12 HZ3 LYS 12 -8.995 -3.415 6.823 98 H LYS 13 HN LYS 13 -9.663 0.389 -0.874 99 HA LYS 13 HA LYS 13 -11.274 -0.966 -2.763 100 HB2 LYS 13 HB2 LYS 13 -10.546 1.950 -2.465 101 HB3 LYS 13 HB1 LYS 13 -11.682 1.358 -3.678 102 HG2 LYS 13 HG2 LYS 13 -13.058 0.348 -1.887 103 HG3 LYS 13 HG1 LYS 13 -11.932 0.969 -0.680 104 HD2 LYS 13 HD2 LYS 13 -12.400 3.277 -1.441 105 HD3 LYS 13 HD1 LYS 13 -13.547 2.647 -2.624 106 HE2 LYS 13 HE2 LYS 13 -13.754 2.272 0.380 107 HE3 LYS 13 HE1 LYS 13 -14.697 3.419 -0.572 108 HZ1 LYS 13 HZ1 LYS 13 -16.036 1.523 -0.333 109 HZ2 LYS 13 HZ2 LYS 13 -14.760 0.462 -0.697 110 HZ3 LYS 13 HZ3 LYS 13 -15.430 1.439 -1.915 111 H LEU 14 HN LEU 14 -8.197 0.743 -3.038 112 HA LEU 14 HA LEU 14 -7.988 0.682 -5.848 113 HB2 LEU 14 HB2 LEU 14 -5.992 0.829 -3.591 114 HB3 LEU 14 HB1 LEU 14 -5.458 0.796 -5.267 115 HG LEU 14 HG LEU 14 -7.563 2.781 -4.375 116 HD11 LEU 14 HD11 LEU 14 -5.808 3.291 -2.846 117 HD12 LEU 14 HD12 LEU 14 -5.563 4.405 -4.186 118 HD13 LEU 14 HD13 LEU 14 -4.559 2.961 -4.044 119 HD21 LEU 14 HD21 LEU 14 -7.229 2.626 -6.777 120 HD22 LEU 14 HD22 LEU 14 -5.476 2.681 -6.580 121 HD23 LEU 14 HD23 LEU 14 -6.450 4.104 -6.226 122 H LEU 15 HN LEU 15 -6.912 -1.607 -3.353 123 HA LEU 15 HA LEU 15 -5.612 -3.389 -5.119 124 HB2 LEU 15 HB2 LEU 15 -6.895 -3.781 -2.410 125 HB3 LEU 15 HB1 LEU 15 -5.976 -5.041 -3.231 126 HG LEU 15 HG LEU 15 -4.884 -2.275 -2.628 127 HD11 LEU 15 HD11 LEU 15 -3.606 -3.419 -0.810 128 HD12 LEU 15 HD12 LEU 15 -4.574 -4.868 -1.088 129 HD13 LEU 15 HD13 LEU 15 -5.345 -3.384 -0.523 130 HD21 LEU 15 HD21 LEU 15 -3.477 -3.090 -4.293 131 HD22 LEU 15 HD22 LEU 15 -3.761 -4.776 -3.867 132 HD23 LEU 15 HD23 LEU 15 -2.689 -3.788 -2.883 133 H ASP 16 HN ASP 16 -8.938 -3.253 -3.894 134 HA ASP 16 HA ASP 16 -9.811 -5.632 -5.180 135 HB2 ASP 16 HB2 ASP 16 -11.282 -3.225 -4.104 136 HB3 ASP 16 HB1 ASP 16 -12.111 -4.611 -4.813 137 H ASP 17 HN ASP 17 -9.817 -2.230 -6.095 138 HA ASP 17 HA ASP 17 -11.262 -2.576 -8.525 139 HB2 ASP 17 HB2 ASP 17 -9.463 -0.362 -7.523 140 HB3 ASP 17 HB1 ASP 17 -10.318 -0.293 -9.063 141 H SER 18 HN SER 18 -8.148 -3.419 -7.593 142 HA SER 18 HA SER 18 -6.633 -2.910 -9.880 143 HB2 SER 18 HB2 SER 18 -5.098 -4.539 -9.052 144 HB3 SER 18 HB1 SER 18 -5.828 -3.780 -7.638 145 HG SER 18 HG SER 18 -5.774 -6.319 -8.196 146 H SER 19 HN SER 19 -9.190 -5.101 -9.355 147 HA SER 19 HA SER 19 -8.469 -6.919 -11.488 148 HB2 SER 19 HB2 SER 19 -10.591 -7.990 -11.054 149 HB3 SER 19 HB1 SER 19 -9.832 -7.615 -9.510 150 HG SER 19 HG SER 19 -11.188 -5.488 -10.165 151 H SER 20 HN SER 20 -9.879 -3.891 -11.283 152 HA SER 20 HA SER 20 -11.535 -4.077 -13.653 153 HB2 SER 20 HB2 SER 20 -10.672 -1.653 -12.062 154 HB3 SER 20 HB1 SER 20 -11.873 -1.663 -13.351 155 HG SER 20 HG SER 20 -12.566 -1.906 -11.027 156 H1 LYS 1 HN LYS 1 -11.151 -2.970 -15.613 157 HA LYS 1 HA LYS 1 -8.424 -3.080 -16.487 158 HB2 LYS 1 HB2 LYS 1 -10.950 -2.132 -17.855 159 HB3 LYS 1 HB1 LYS 1 -9.375 -2.225 -18.648 160 HG2 LYS 1 HG2 LYS 1 -9.256 -4.633 -18.137 161 HG3 LYS 1 HG1 LYS 1 -10.830 -4.545 -17.346 162 HD2 LYS 1 HD2 LYS 1 -11.858 -3.815 -19.466 163 HD3 LYS 1 HD1 LYS 1 -10.284 -3.906 -20.260 164 HE2 LYS 1 HE2 LYS 1 -10.159 -6.315 -19.749 165 HE3 LYS 1 HE1 LYS 1 -11.729 -6.229 -18.950 166 HZ1 LYS 1 HZ1 LYS 1 -12.815 -5.839 -20.936 167 HZ2 LYS 1 HZ2 LYS 1 -11.626 -6.964 -21.392 168 HZ3 LYS 1 HZ3 LYS 1 -11.413 -5.314 -21.734 169 H ASN 2 HN ASN 2 -9.592 -1.008 -14.471 170 HA ASN 2 HA ASN 2 -9.377 1.509 -15.606 171 HB2 ASN 2 HB2 ASN 2 -8.924 2.326 -13.289 172 HB3 ASN 2 HB1 ASN 2 -10.337 1.281 -13.420 173 HD21 ASN 2 HD21 ASN 2 -8.622 1.693 -10.996 174 HD22 ASN 2 HD22 ASN 2 -8.015 0.160 -10.603 175 HA PRO 3 HA PRO 3 -5.042 2.168 -16.433 176 HB2 PRO 3 HB2 PRO 3 -5.327 4.847 -15.117 177 HB3 PRO 3 HB1 PRO 3 -4.749 4.445 -16.746 178 HG2 PRO 3 HG2 PRO 3 -7.149 5.506 -16.382 179 HG3 PRO 3 HG1 PRO 3 -6.891 4.235 -17.597 180 HD2 PRO 3 HD2 PRO 3 -8.153 4.014 -14.873 181 HD3 PRO 3 HD1 PRO 3 -8.603 3.244 -16.411 182 H GLU 4 HN GLU 4 -6.279 2.864 -13.226 183 HA GLU 4 HA GLU 4 -3.847 3.182 -11.842 184 HB2 GLU 4 HB2 GLU 4 -6.500 2.117 -10.860 185 HB3 GLU 4 HB1 GLU 4 -5.164 2.598 -9.824 186 HG2 GLU 4 HG2 GLU 4 -6.502 4.430 -11.830 187 HG3 GLU 4 HG1 GLU 4 -6.895 4.390 -10.112 188 H ALA 5 HN ALA 5 -5.170 0.463 -13.346 189 HA ALA 5 HA ALA 5 -4.396 -1.650 -11.680 190 HB1 ALA 5 HB1 ALA 5 -4.309 -1.622 -14.709 191 HB2 ALA 5 HB2 ALA 5 -5.783 -1.847 -13.766 192 HB3 ALA 5 HB3 ALA 5 -4.482 -3.033 -13.666 193 H GLU 6 HN GLU 6 -2.540 0.330 -13.934 194 HA GLU 6 HA GLU 6 -0.203 -1.250 -14.037 195 HB2 GLU 6 HB2 GLU 6 -0.629 1.733 -14.302 196 HB3 GLU 6 HB1 GLU 6 0.920 0.943 -14.598 197 HG2 GLU 6 HG2 GLU 6 -0.077 -0.435 -16.349 198 HG3 GLU 6 HG1 GLU 6 -1.668 0.247 -16.015 199 H GLU 7 HN GLU 7 -1.285 1.251 -11.781 200 HA GLU 7 HA GLU 7 1.115 1.436 -10.299 201 HB2 GLU 7 HB2 GLU 7 -0.863 3.051 -10.242 202 HB3 GLU 7 HB1 GLU 7 -1.641 1.891 -9.164 203 HG2 GLU 7 HG2 GLU 7 -0.512 3.522 -7.785 204 HG3 GLU 7 HG1 GLU 7 0.403 2.018 -7.686 205 H ILE 8 HN ILE 8 -1.685 -0.666 -10.090 206 HA ILE 8 HA ILE 8 -1.119 -1.846 -7.571 207 HB ILE 8 HB ILE 8 -2.460 -3.130 -9.971 208 HG12 ILE 8 HG12 ILE 8 -3.507 -0.998 -9.462 209 HG13 ILE 8 HG11 ILE 8 -4.566 -2.279 -8.922 210 HG21 ILE 8 HG21 ILE 8 -1.808 -4.187 -7.385 211 HG22 ILE 8 HG22 ILE 8 -2.818 -4.929 -8.616 212 HG23 ILE 8 HG23 ILE 8 -3.542 -3.906 -7.386 213 HD11 ILE 8 HD11 ILE 8 -3.316 -1.947 -6.623 214 HD12 ILE 8 HD12 ILE 8 -4.607 -0.847 -7.093 215 HD13 ILE 8 HD13 ILE 8 -2.924 -0.369 -7.302 216 H THR 9 HN THR 9 -0.114 -2.683 -10.874 217 HA THR 9 HA THR 9 1.224 -5.084 -10.261 218 HB THR 9 HB THR 9 1.824 -3.055 -12.433 219 HG1 THR 9 HG1 THR 9 -0.137 -3.779 -12.880 220 HG21 THR 9 HG21 THR 9 2.750 -5.163 -13.561 221 HG22 THR 9 HG22 THR 9 2.726 -5.898 -11.959 222 HG23 THR 9 HG23 THR 9 3.724 -4.476 -12.261 223 H ARG 10 HN ARG 10 2.313 -1.711 -10.287 224 HA ARG 10 HA ARG 10 5.041 -2.194 -9.723 225 HB2 ARG 10 HB2 ARG 10 3.231 0.166 -9.180 226 HB3 ARG 10 HB1 ARG 10 4.957 0.180 -8.816 227 HG2 ARG 10 HG2 ARG 10 5.528 -0.184 -11.128 228 HG3 ARG 10 HG1 ARG 10 3.841 -0.477 -11.553 229 HD2 ARG 10 HD2 ARG 10 4.582 1.819 -12.161 230 HD3 ARG 10 HD1 ARG 10 3.264 1.827 -11.001 231 HE ARG 10 HE ARG 10 4.710 2.706 -9.401 232 HH11 ARG 10 HH11 ARG 10 6.683 3.660 -8.801 233 HH12 ARG 10 HH12 ARG 10 8.071 3.494 -9.824 234 HH21 ARG 10 HH21 ARG 10 6.409 1.602 -12.211 235 HH22 ARG 10 HH22 ARG 10 7.915 2.327 -11.757 236 H CYS 11 HN CYS 11 2.224 -1.757 -7.629 237 HA CYS 11 HA CYS 11 3.520 -1.606 -5.155 238 HB2 CYS 11 HB2 CYS 11 1.027 -1.314 -5.729 239 HB3 CYS 11 HB1 CYS 11 0.918 -3.063 -5.555 240 H LYS 12 HN LYS 12 2.426 -4.445 -6.996 241 HA LYS 12 HA LYS 12 3.132 -6.386 -5.075 242 HB2 LYS 12 HB2 LYS 12 2.905 -6.522 -8.086 243 HB3 LYS 12 HB1 LYS 12 3.210 -7.936 -7.077 244 HG2 LYS 12 HG2 LYS 12 1.126 -7.482 -5.822 245 HG3 LYS 12 HG1 LYS 12 0.819 -6.081 -6.850 246 HD2 LYS 12 HD2 LYS 12 0.732 -7.533 -8.832 247 HD3 LYS 12 HD1 LYS 12 1.068 -8.943 -7.826 248 HE2 LYS 12 HE2 LYS 12 -1.009 -8.528 -6.554 249 HE3 LYS 12 HE1 LYS 12 -1.348 -7.126 -7.568 250 HZ1 LYS 12 HZ1 LYS 12 -0.956 -9.850 -8.666 251 HZ2 LYS 12 HZ2 LYS 12 -1.588 -8.487 -9.460 252 HZ3 LYS 12 HZ3 LYS 12 -2.481 -9.246 -8.229 253 H LYS 13 HN LYS 13 4.960 -4.940 -7.751 254 HA LYS 13 HA LYS 13 7.270 -6.546 -7.454 255 HB2 LYS 13 HB2 LYS 13 6.869 -3.792 -8.628 256 HB3 LYS 13 HB1 LYS 13 8.416 -4.642 -8.666 257 HG2 LYS 13 HG2 LYS 13 7.340 -6.536 -9.836 258 HG3 LYS 13 HG1 LYS 13 5.802 -5.671 -9.815 259 HD2 LYS 13 HD2 LYS 13 6.818 -3.840 -11.127 260 HD3 LYS 13 HD1 LYS 13 8.347 -4.717 -11.162 261 HE2 LYS 13 HE2 LYS 13 5.722 -5.732 -12.294 262 HE3 LYS 13 HE1 LYS 13 7.055 -5.075 -13.242 263 HZ1 LYS 13 HZ1 LYS 13 7.318 -7.394 -13.280 264 HZ2 LYS 13 HZ2 LYS 13 7.024 -7.547 -11.613 265 HZ3 LYS 13 HZ3 LYS 13 8.466 -6.838 -12.163 266 H LEU 14 HN LEU 14 6.293 -3.476 -6.010 267 HA LEU 14 HA LEU 14 8.724 -2.884 -4.715 268 HB2 LEU 14 HB2 LEU 14 5.841 -2.157 -4.208 269 HB3 LEU 14 HB1 LEU 14 7.119 -1.586 -3.141 270 HG LEU 14 HG LEU 14 7.340 -1.200 -6.136 271 HD11 LEU 14 HD11 LEU 14 5.245 -0.149 -5.719 272 HD12 LEU 14 HD12 LEU 14 6.417 1.160 -5.622 273 HD13 LEU 14 HD13 LEU 14 5.765 0.449 -4.145 274 HD21 LEU 14 HD21 LEU 14 9.355 -0.695 -4.884 275 HD22 LEU 14 HD22 LEU 14 8.439 0.212 -3.680 276 HD23 LEU 14 HD23 LEU 14 8.611 0.839 -5.316 277 H LEU 15 HN LEU 15 5.870 -4.712 -3.651 278 HA LEU 15 HA LEU 15 6.781 -5.188 -1.019 279 HB2 LEU 15 HB2 LEU 15 4.881 -6.705 -2.815 280 HB3 LEU 15 HB1 LEU 15 5.134 -7.106 -1.119 281 HG LEU 15 HG LEU 15 4.290 -4.362 -2.101 282 HD11 LEU 15 HD11 LEU 15 2.033 -4.995 -1.242 283 HD12 LEU 15 HD12 LEU 15 2.615 -6.645 -1.020 284 HD13 LEU 15 HD13 LEU 15 2.534 -5.947 -2.639 285 HD21 LEU 15 HD21 LEU 15 5.134 -3.974 0.035 286 HD22 LEU 15 HD22 LEU 15 4.743 -5.595 0.608 287 HD23 LEU 15 HD23 LEU 15 3.473 -4.388 0.438 288 H ASP 16 HN ASP 16 7.131 -7.026 -4.033 289 HA ASP 16 HA ASP 16 8.514 -9.219 -2.867 290 HB2 ASP 16 HB2 ASP 16 8.343 -8.174 -5.695 291 HB3 ASP 16 HB1 ASP 16 9.251 -9.625 -5.265 292 H ASP 17 HN ASP 17 9.554 -6.209 -4.373 293 HA ASP 17 HA ASP 17 12.345 -6.776 -4.283 294 HB2 ASP 17 HB2 ASP 17 10.797 -4.198 -4.581 295 HB3 ASP 17 HB1 ASP 17 12.558 -4.276 -4.624 296 H SER 18 HN SER 18 10.096 -6.038 -1.896 297 HA SER 18 HA SER 18 11.537 -4.394 -0.160 298 HB2 SER 18 HB2 SER 18 10.020 -5.100 1.543 299 HB3 SER 18 HB1 SER 18 9.110 -5.105 0.034 300 HG SER 18 HG SER 18 9.365 -7.086 1.672 301 H SER 19 HN SER 19 12.022 -7.649 -1.049 302 HA SER 19 HA SER 19 13.501 -8.390 1.327 303 HB2 SER 19 HB2 SER 19 13.946 -10.471 0.195 304 HB3 SER 19 HB1 SER 19 12.265 -10.041 -0.103 305 HG SER 19 HG SER 19 13.604 -8.865 -1.988 306 H SER 20 HN SER 20 14.137 -6.651 -1.465 307 HA SER 20 HA SER 20 16.973 -7.221 -1.628 308 HB2 SER 20 HB2 SER 20 15.349 -5.053 -2.975 309 HB3 SER 20 HB1 SER 20 17.017 -5.477 -3.348 310 HG SER 20 HG SER 20 15.316 -6.468 -4.683 311 H1 LYS 1 HN LYS 1 18.642 -5.744 -1.167 312 HA LYS 1 HA LYS 1 18.225 -4.200 1.216 313 HB2 LYS 1 HB2 LYS 1 20.628 -4.516 -0.598 314 HB3 LYS 1 HB1 LYS 1 20.642 -3.583 0.900 315 HG2 LYS 1 HG2 LYS 1 19.962 -5.589 2.161 316 HG3 LYS 1 HG1 LYS 1 19.953 -6.526 0.666 317 HD2 LYS 1 HD2 LYS 1 22.354 -6.055 0.352 318 HD3 LYS 1 HD1 LYS 1 22.366 -5.120 1.849 319 HE2 LYS 1 HE2 LYS 1 21.686 -7.126 3.113 320 HE3 LYS 1 HE1 LYS 1 21.671 -8.063 1.619 321 HZ1 LYS 1 HZ1 LYS 1 23.954 -7.925 1.408 322 HZ2 LYS 1 HZ2 LYS 1 23.758 -8.117 3.084 323 HZ3 LYS 1 HZ3 LYS 1 24.084 -6.582 2.435 324 H ASN 2 HN ASN 2 17.080 -3.533 -1.600 325 HA ASN 2 HA ASN 2 18.184 -1.144 -2.447 326 HB2 ASN 2 HB2 ASN 2 15.958 -0.683 -3.487 327 HB3 ASN 2 HB1 ASN 2 16.613 -2.277 -3.859 328 HD21 ASN 2 HD21 ASN 2 13.725 -1.519 -3.818 329 HD22 ASN 2 HD22 ASN 2 13.005 -2.507 -2.644 330 HA PRO 3 HA PRO 3 17.110 1.927 0.605 331 HB2 PRO 3 HB2 PRO 3 16.225 3.686 -1.656 332 HB3 PRO 3 HB1 PRO 3 17.420 4.001 -0.382 333 HG2 PRO 3 HG2 PRO 3 18.189 3.478 -2.862 334 HG3 PRO 3 HG1 PRO 3 19.090 2.833 -1.476 335 HD2 PRO 3 HD2 PRO 3 17.164 1.414 -3.302 336 HD3 PRO 3 HD1 PRO 3 18.691 0.850 -2.586 337 H GLU 4 HN GLU 4 14.803 1.162 -1.923 338 HA GLU 4 HA GLU 4 12.531 2.474 -0.897 339 HB2 GLU 4 HB2 GLU 4 12.716 -0.042 -2.562 340 HB3 GLU 4 HB1 GLU 4 11.241 0.875 -2.284 341 HG2 GLU 4 HG2 GLU 4 13.752 2.021 -3.538 342 HG3 GLU 4 HG1 GLU 4 12.364 1.436 -4.453 343 H ALA 5 HN ALA 5 14.272 -0.161 0.308 344 HA ALA 5 HA ALA 5 12.297 -1.786 1.443 345 HB1 ALA 5 HB1 ALA 5 14.986 -1.110 2.663 346 HB2 ALA 5 HB2 ALA 5 14.759 -2.284 1.367 347 HB3 ALA 5 HB3 ALA 5 14.027 -2.563 2.947 348 H GLU 6 HN GLU 6 13.652 1.294 2.493 349 HA GLU 6 HA GLU 6 12.632 1.315 5.126 350 HB2 GLU 6 HB2 GLU 6 13.261 3.552 3.188 351 HB3 GLU 6 HB1 GLU 6 12.803 3.827 4.871 352 HG2 GLU 6 HG2 GLU 6 14.712 2.515 5.642 353 HG3 GLU 6 HG1 GLU 6 15.144 2.117 3.981 354 H GLU 7 HN GLU 7 11.237 2.299 2.027 355 HA GLU 7 HA GLU 7 8.881 3.461 3.068 356 HB2 GLU 7 HB2 GLU 7 9.791 3.687 0.692 357 HB3 GLU 7 HB1 GLU 7 9.084 2.101 0.384 358 HG2 GLU 7 HG2 GLU 7 7.461 3.764 -0.283 359 HG3 GLU 7 HG1 GLU 7 6.877 3.013 1.202 360 H ILE 8 HN ILE 8 9.762 0.179 2.198 361 HA ILE 8 HA ILE 8 7.172 -0.980 2.306 362 HB ILE 8 HB ILE 8 9.825 -2.268 3.028 363 HG12 ILE 8 HG12 ILE 8 9.976 -1.223 0.845 364 HG13 ILE 8 HG11 ILE 8 9.850 -2.954 0.621 365 HG21 ILE 8 HG21 ILE 8 7.158 -3.301 3.116 366 HG22 ILE 8 HG22 ILE 8 8.655 -4.210 3.265 367 HG23 ILE 8 HG23 ILE 8 7.907 -4.005 1.688 368 HD11 ILE 8 HD11 ILE 8 7.272 -2.450 0.421 369 HD12 ILE 8 HD12 ILE 8 8.331 -2.165 -0.957 370 HD13 ILE 8 HD13 ILE 8 7.824 -0.816 0.058 371 H THR 9 HN THR 9 9.648 -0.443 4.798 372 HA THR 9 HA THR 9 8.349 -1.784 6.909 373 HB THR 9 HB THR 9 10.189 0.623 7.001 374 HG1 THR 9 HG1 THR 9 11.418 -0.935 6.245 375 HG21 THR 9 HG21 THR 9 10.636 -0.339 9.337 376 HG22 THR 9 HG22 THR 9 9.142 -1.249 9.126 377 HG23 THR 9 HG23 THR 9 9.109 0.514 9.112 378 H ARG 10 HN ARG 10 8.141 1.561 5.749 379 HA ARG 10 HA ARG 10 6.423 2.546 7.769 380 HB2 ARG 10 HB2 ARG 10 6.871 3.367 4.895 381 HB3 ARG 10 HB1 ARG 10 5.807 4.251 5.990 382 HG2 ARG 10 HG2 ARG 10 7.621 4.725 7.499 383 HG3 ARG 10 HG1 ARG 10 8.705 3.643 6.621 384 HD2 ARG 10 HD2 ARG 10 9.098 6.035 6.058 385 HD3 ARG 10 HD1 ARG 10 8.617 5.089 4.660 386 HE ARG 10 HE ARG 10 6.618 6.281 4.570 387 HH11 ARG 10 HH11 ARG 10 5.300 8.020 5.203 388 HH12 ARG 10 HH12 ARG 10 5.617 8.850 6.690 389 HH21 ARG 10 HH21 ARG 10 8.346 6.873 7.514 390 HH22 ARG 10 HH22 ARG 10 7.343 8.199 7.999 391 H CYS 11 HN CYS 11 5.779 0.940 4.683 392 HA CYS 11 HA CYS 11 3.003 1.284 4.573 393 HB2 CYS 11 HB2 CYS 11 4.609 0.272 2.830 394 HB3 CYS 11 HB1 CYS 11 4.379 -1.245 3.694 395 H LYS 12 HN LYS 12 4.941 -1.255 6.139 396 HA LYS 12 HA LYS 12 2.777 -2.833 7.024 397 HB2 LYS 12 HB2 LYS 12 5.574 -2.466 8.110 398 HB3 LYS 12 HB1 LYS 12 4.438 -3.655 8.749 399 HG2 LYS 12 HG2 LYS 12 4.241 -4.669 6.502 400 HG3 LYS 12 HG1 LYS 12 5.393 -3.489 5.875 401 HD2 LYS 12 HD2 LYS 12 7.116 -4.323 7.416 402 HD3 LYS 12 HD1 LYS 12 5.971 -5.490 8.079 403 HE2 LYS 12 HE2 LYS 12 5.751 -6.540 5.856 404 HE3 LYS 12 HE1 LYS 12 6.898 -5.376 5.193 405 HZ1 LYS 12 HZ1 LYS 12 7.544 -7.162 7.468 406 HZ2 LYS 12 HZ2 LYS 12 8.618 -6.231 6.537 407 HZ3 LYS 12 HZ3 LYS 12 7.850 -7.583 5.853 408 H LYS 13 HN LYS 13 4.497 -0.125 8.535 409 HA LYS 13 HA LYS 13 3.124 -0.220 11.007 410 HB2 LYS 13 HB2 LYS 13 4.544 2.031 9.581 411 HB3 LYS 13 HB1 LYS 13 3.853 2.196 11.197 412 HG2 LYS 13 HG2 LYS 13 5.239 0.303 11.977 413 HG3 LYS 13 HG1 LYS 13 5.944 0.160 10.365 414 HD2 LYS 13 HD2 LYS 13 6.807 2.470 10.542 415 HD3 LYS 13 HD1 LYS 13 6.122 2.596 12.163 416 HE2 LYS 13 HE2 LYS 13 8.203 0.566 11.298 417 HE3 LYS 13 HE1 LYS 13 8.528 2.019 12.242 418 HZ1 LYS 13 HZ1 LYS 13 8.297 0.265 13.776 419 HZ2 LYS 13 HZ2 LYS 13 6.893 -0.324 13.023 420 HZ3 LYS 13 HZ3 LYS 13 6.852 1.147 13.870 421 H LEU 14 HN LEU 14 2.463 1.452 7.969 422 HA LEU 14 HA LEU 14 0.294 3.010 8.871 423 HB2 LEU 14 HB2 LEU 14 1.127 1.924 6.182 424 HB3 LEU 14 HB1 LEU 14 -0.342 2.877 6.357 425 HG LEU 14 HG LEU 14 2.291 3.901 7.447 426 HD11 LEU 14 HD11 LEU 14 2.883 3.536 5.174 427 HD12 LEU 14 HD12 LEU 14 2.370 5.220 5.218 428 HD13 LEU 14 HD13 LEU 14 1.278 3.982 4.597 429 HD21 LEU 14 HD21 LEU 14 0.335 5.167 8.135 430 HD22 LEU 14 HD22 LEU 14 -0.297 5.177 6.490 431 HD23 LEU 14 HD23 LEU 14 1.149 6.098 6.885 432 H LEU 15 HN LEU 15 0.432 -0.249 7.465 433 HA LEU 15 HA LEU 15 -2.362 -0.655 7.374 434 HB2 LEU 15 HB2 LEU 15 -0.036 -2.574 7.582 435 HB3 LEU 15 HB1 LEU 15 -1.702 -3.096 7.340 436 HG LEU 15 HG LEU 15 -0.264 -1.132 5.527 437 HD11 LEU 15 HD11 LEU 15 -0.105 -3.054 3.941 438 HD12 LEU 15 HD12 LEU 15 -0.669 -4.121 5.227 439 HD13 LEU 15 HD13 LEU 15 0.869 -3.273 5.394 440 HD21 LEU 15 HD21 LEU 15 -2.528 -0.788 5.084 441 HD22 LEU 15 HD22 LEU 15 -2.978 -2.438 5.510 442 HD23 LEU 15 HD23 LEU 15 -2.195 -2.106 3.969 443 H ASP 16 HN ASP 16 0.072 -1.366 9.853 444 HA ASP 16 HA ASP 16 -1.723 -2.625 11.660 445 HB2 ASP 16 HB2 ASP 16 0.966 -1.304 12.034 446 HB3 ASP 16 HB1 ASP 16 0.091 -2.081 13.353 447 H ASP 17 HN ASP 17 -0.609 0.692 11.254 448 HA ASP 17 HA ASP 17 -1.925 1.737 13.556 449 HB2 ASP 17 HB2 ASP 17 -0.829 3.051 11.064 450 HB3 ASP 17 HB1 ASP 17 -1.536 3.952 12.404 451 H SER 18 HN SER 18 -3.052 0.639 10.583 452 HA SER 18 HA SER 18 -5.125 2.420 10.000 453 HB2 SER 18 HB2 SER 18 -6.041 0.689 8.640 454 HB3 SER 18 HB1 SER 18 -4.292 0.479 8.589 455 HG SER 18 HG SER 18 -6.079 -1.285 9.315 456 H SER 19 HN SER 19 -4.752 0.205 12.560 457 HA SER 19 HA SER 19 -7.577 -0.080 13.128 458 HB2 SER 19 HB2 SER 19 -6.883 -1.297 15.090 459 HB3 SER 19 HB1 SER 19 -5.867 -1.807 13.746 460 HG SER 19 HG SER 19 -4.692 0.283 14.780 461 H SER 20 HN SER 20 -5.232 2.257 13.672 462 HA SER 20 HA SER 20 -6.337 3.341 16.117 463 HB2 SER 20 HB2 SER 20 -4.313 4.504 14.191 464 HB3 SER 20 HB1 SER 20 -4.736 5.183 15.760 465 HG SER 20 HG SER 20 -2.842 3.664 15.555 466 H2 ZBR 100 HA3 TBS 100 -1.655 0.526 -2.073 467 H4 ZBR 100 HC3 TBS 100 0.203 1.190 1.770 468 H6 ZBR 100 HB3 TBS 100 2.539 -0.361 -1.520 469 H7 ZBR 100 HB11 TBS 100 1.097 0.301 -3.959 470 H7A ZBR 100 HB12 TBS 100 -0.457 -0.526 -3.798 471 H8 ZBR 100 HA11 TBS 100 -2.445 2.337 -0.015 472 H8A ZBR 100 HA12 TBS 100 -2.106 1.541 1.527 473 H9 ZBR 100 HC11 TBS 100 3.012 1.378 1.369 474 H9A ZBR 100 HC12 TBS 100 3.543 -0.111 0.581 Start of MODEL 4 1 H1 LYS 1 HN LYS 1 -6.441 4.122 16.558 2 HA LYS 1 HA LYS 1 -8.777 4.458 14.786 3 HB2 LYS 1 HB2 LYS 1 -8.303 5.223 17.676 4 HB3 LYS 1 HB1 LYS 1 -9.770 5.606 16.773 5 HG2 LYS 1 HG2 LYS 1 -10.139 3.205 16.345 6 HG3 LYS 1 HG1 LYS 1 -8.676 2.819 17.251 7 HD2 LYS 1 HD2 LYS 1 -9.651 3.852 19.269 8 HD3 LYS 1 HD1 LYS 1 -11.119 4.228 18.365 9 HE2 LYS 1 HE2 LYS 1 -11.482 1.825 17.945 10 HE3 LYS 1 HE1 LYS 1 -10.014 1.444 18.845 11 HZ1 LYS 1 HZ1 LYS 1 -11.000 1.856 20.809 12 HZ2 LYS 1 HZ2 LYS 1 -12.426 1.520 19.948 13 HZ3 LYS 1 HZ3 LYS 1 -11.947 3.129 20.208 14 H ASN 2 HN ASN 2 -5.889 5.709 14.859 15 HA ASN 2 HA ASN 2 -6.246 8.466 15.238 16 HB2 ASN 2 HB2 ASN 2 -4.171 8.596 13.669 17 HB3 ASN 2 HB1 ASN 2 -4.010 7.823 15.238 18 HD21 ASN 2 HD21 ASN 2 -5.278 6.690 12.038 19 HD22 ASN 2 HD22 ASN 2 -4.327 5.288 12.014 20 HA PRO 3 HA PRO 3 -8.418 9.981 11.676 21 HB2 PRO 3 HB2 PRO 3 -6.106 11.840 11.194 22 HB3 PRO 3 HB1 PRO 3 -7.835 12.210 11.349 23 HG2 PRO 3 HG2 PRO 3 -6.149 12.746 13.321 24 HG3 PRO 3 HG1 PRO 3 -7.779 12.128 13.659 25 HD2 PRO 3 HD2 PRO 3 -5.151 10.682 13.797 26 HD3 PRO 3 HD1 PRO 3 -6.606 10.506 14.802 27 H GLU 4 HN GLU 4 -5.069 9.026 11.377 28 HA GLU 4 HA GLU 4 -4.785 9.099 8.569 29 HB2 GLU 4 HB2 GLU 4 -3.460 7.367 10.663 30 HB3 GLU 4 HB1 GLU 4 -2.981 7.389 8.965 31 HG2 GLU 4 HG2 GLU 4 -2.499 9.785 9.102 32 HG3 GLU 4 HG1 GLU 4 -3.050 9.820 10.776 33 H ALA 5 HN ALA 5 -6.730 7.168 10.543 34 HA ALA 5 HA ALA 5 -6.734 4.690 9.240 35 HB1 ALA 5 HB1 ALA 5 -9.070 6.126 10.532 36 HB2 ALA 5 HB2 ALA 5 -7.901 5.112 11.378 37 HB3 ALA 5 HB3 ALA 5 -8.984 4.400 10.183 38 H GLU 6 HN GLU 6 -8.191 7.761 8.365 39 HA GLU 6 HA GLU 6 -10.032 6.831 6.438 40 HB2 GLU 6 HB2 GLU 6 -8.509 9.436 6.671 41 HB3 GLU 6 HB1 GLU 6 -9.769 9.151 5.469 42 HG2 GLU 6 HG2 GLU 6 -11.392 8.686 7.245 43 HG3 GLU 6 HG1 GLU 6 -10.139 8.895 8.467 44 H GLU 7 HN GLU 7 -6.598 7.669 6.233 45 HA GLU 7 HA GLU 7 -6.362 7.382 3.424 46 HB2 GLU 7 HB2 GLU 7 -4.659 8.560 4.740 47 HB3 GLU 7 HB1 GLU 7 -4.249 7.061 5.573 48 HG2 GLU 7 HG2 GLU 7 -2.654 7.504 3.751 49 HG3 GLU 7 HG1 GLU 7 -3.575 6.048 3.410 50 H ILE 8 HN ILE 8 -6.070 5.149 6.121 51 HA ILE 8 HA ILE 8 -5.023 2.930 4.705 52 HB ILE 8 HB ILE 8 -6.901 2.903 7.086 53 HG12 ILE 8 HG12 ILE 8 -4.991 4.345 7.543 54 HG13 ILE 8 HG11 ILE 8 -4.804 2.839 8.424 55 HG21 ILE 8 HG21 ILE 8 -5.807 0.755 7.580 56 HG22 ILE 8 HG22 ILE 8 -4.846 0.899 6.111 57 HG23 ILE 8 HG23 ILE 8 -6.596 0.709 6.006 58 HD11 ILE 8 HD11 ILE 8 -3.298 3.823 6.020 59 HD12 ILE 8 HD12 ILE 8 -3.423 2.091 6.314 60 HD13 ILE 8 HD13 ILE 8 -2.678 3.136 7.517 61 H THR 9 HN THR 9 -8.351 4.006 5.303 62 HA THR 9 HA THR 9 -9.669 1.798 4.159 63 HB THR 9 HB THR 9 -10.532 4.699 4.266 64 HG1 THR 9 HG1 THR 9 -10.720 4.252 6.293 65 HG21 THR 9 HG21 THR 9 -12.833 3.590 4.185 66 HG22 THR 9 HG22 THR 9 -11.998 2.129 3.658 67 HG23 THR 9 HG23 THR 9 -11.920 3.592 2.676 68 H ARG 10 HN ARG 10 -8.466 4.822 2.736 69 HA ARG 10 HA ARG 10 -9.495 4.433 0.137 70 HB2 ARG 10 HB2 ARG 10 -8.573 6.587 0.959 71 HB3 ARG 10 HB1 ARG 10 -6.957 5.880 0.941 72 HG2 ARG 10 HG2 ARG 10 -7.068 5.535 -1.454 73 HG3 ARG 10 HG1 ARG 10 -8.756 6.045 -1.492 74 HD2 ARG 10 HD2 ARG 10 -7.405 7.912 -2.216 75 HD3 ARG 10 HD1 ARG 10 -8.032 8.281 -0.613 76 HE ARG 10 HE ARG 10 -5.476 7.053 -0.395 77 HH11 ARG 10 HH11 ARG 10 -3.689 8.391 0.049 78 HH12 ARG 10 HH12 ARG 10 -3.810 10.099 -0.196 79 HH21 ARG 10 HH21 ARG 10 -7.079 9.974 -1.340 80 HH22 ARG 10 HH22 ARG 10 -5.725 10.995 -0.987 81 H CYS 11 HN CYS 11 -6.433 3.470 1.631 82 HA CYS 11 HA CYS 11 -5.203 2.410 -0.666 83 HB2 CYS 11 HB2 CYS 11 -4.113 2.850 1.567 84 HB3 CYS 11 HB1 CYS 11 -4.885 1.380 2.154 85 H LYS 12 HN LYS 12 -7.458 1.034 1.662 86 HA LYS 12 HA LYS 12 -7.296 -1.637 0.818 87 HB2 LYS 12 HB2 LYS 12 -8.418 -0.911 2.908 88 HB3 LYS 12 HB1 LYS 12 -9.695 -0.176 1.945 89 HG2 LYS 12 HG2 LYS 12 -10.494 -2.331 2.664 90 HG3 LYS 12 HG1 LYS 12 -10.138 -2.469 0.949 91 HD2 LYS 12 HD2 LYS 12 -8.077 -3.628 1.380 92 HD3 LYS 12 HD1 LYS 12 -8.147 -3.234 3.097 93 HE2 LYS 12 HE2 LYS 12 -10.089 -5.009 1.592 94 HE3 LYS 12 HE1 LYS 12 -8.836 -5.559 2.705 95 HZ1 LYS 12 HZ1 LYS 12 -9.951 -4.029 4.374 96 HZ2 LYS 12 HZ2 LYS 12 -10.764 -5.468 3.980 97 HZ3 LYS 12 HZ3 LYS 12 -11.267 -3.993 3.305 98 H LYS 13 HN LYS 13 -9.388 1.027 -0.235 99 HA LYS 13 HA LYS 13 -10.960 -0.458 -2.037 100 HB2 LYS 13 HB2 LYS 13 -10.198 2.468 -1.985 101 HB3 LYS 13 HB1 LYS 13 -11.353 1.790 -3.132 102 HG2 LYS 13 HG2 LYS 13 -12.736 0.969 -1.255 103 HG3 LYS 13 HG1 LYS 13 -11.584 1.659 -0.110 104 HD2 LYS 13 HD2 LYS 13 -12.001 3.909 -1.059 105 HD3 LYS 13 HD1 LYS 13 -13.183 3.211 -2.168 106 HE2 LYS 13 HE2 LYS 13 -13.347 3.094 0.859 107 HE3 LYS 13 HE1 LYS 13 -14.277 4.185 -0.169 108 HZ1 LYS 13 HZ1 LYS 13 -15.725 2.581 -0.592 109 HZ2 LYS 13 HZ2 LYS 13 -14.936 1.604 0.551 110 HZ3 LYS 13 HZ3 LYS 13 -14.502 1.516 -1.089 111 H LEU 14 HN LEU 14 -7.879 1.228 -2.432 112 HA LEU 14 HA LEU 14 -7.655 0.908 -5.231 113 HB2 LEU 14 HB2 LEU 14 -5.581 1.221 -3.056 114 HB3 LEU 14 HB1 LEU 14 -5.178 1.200 -4.770 115 HG LEU 14 HG LEU 14 -7.181 3.110 -3.524 116 HD11 LEU 14 HD11 LEU 14 -5.323 4.810 -3.909 117 HD12 LEU 14 HD12 LEU 14 -4.232 3.440 -4.121 118 HD13 LEU 14 HD13 LEU 14 -5.060 3.679 -2.586 119 HD21 LEU 14 HD21 LEU 14 -7.714 3.151 -5.781 120 HD22 LEU 14 HD22 LEU 14 -6.091 2.687 -6.290 121 HD23 LEU 14 HD23 LEU 14 -6.416 4.339 -5.781 122 H LEU 15 HN LEU 15 -6.661 -1.130 -2.513 123 HA LEU 15 HA LEU 15 -5.294 -3.073 -4.051 124 HB2 LEU 15 HB2 LEU 15 -6.650 -3.203 -1.354 125 HB3 LEU 15 HB1 LEU 15 -5.705 -4.532 -2.023 126 HG LEU 15 HG LEU 15 -4.628 -1.715 -1.678 127 HD11 LEU 15 HD11 LEU 15 -4.491 -4.116 0.160 128 HD12 LEU 15 HD12 LEU 15 -5.093 -2.498 0.531 129 HD13 LEU 15 HD13 LEU 15 -3.368 -2.758 0.270 130 HD21 LEU 15 HD21 LEU 15 -2.426 -3.184 -1.704 131 HD22 LEU 15 HD22 LEU 15 -3.202 -2.760 -3.221 132 HD23 LEU 15 HD23 LEU 15 -3.450 -4.360 -2.524 133 H ASP 16 HN ASP 16 -8.655 -2.768 -3.020 134 HA ASP 16 HA ASP 16 -9.530 -5.284 -4.002 135 HB2 ASP 16 HB2 ASP 16 -10.989 -2.717 -3.378 136 HB3 ASP 16 HB1 ASP 16 -11.811 -4.186 -3.902 137 H ASP 17 HN ASP 17 -9.046 -2.169 -5.468 138 HA ASP 17 HA ASP 17 -10.600 -2.514 -7.802 139 HB2 ASP 17 HB2 ASP 17 -8.168 -0.807 -7.250 140 HB3 ASP 17 HB1 ASP 17 -9.048 -0.765 -8.770 141 H SER 18 HN SER 18 -7.905 -4.182 -6.761 142 HA SER 18 HA SER 18 -6.362 -4.536 -9.042 143 HB2 SER 18 HB2 SER 18 -7.003 -6.526 -6.862 144 HB3 SER 18 HB1 SER 18 -5.702 -6.708 -8.036 145 HG SER 18 HG SER 18 -4.553 -5.407 -6.866 146 H SER 19 HN SER 19 -9.410 -5.929 -8.149 147 HA SER 19 HA SER 19 -9.406 -7.868 -10.298 148 HB2 SER 19 HB2 SER 19 -11.631 -8.439 -9.560 149 HB3 SER 19 HB1 SER 19 -10.605 -8.256 -8.141 150 HG SER 19 HG SER 19 -11.843 -6.679 -7.532 151 H SER 20 HN SER 20 -9.957 -4.600 -10.076 152 HA SER 20 HA SER 20 -12.031 -4.373 -12.076 153 HB2 SER 20 HB2 SER 20 -11.850 -2.044 -11.798 154 HB3 SER 20 HB1 SER 20 -11.523 -2.695 -10.195 155 HG SER 20 HG SER 20 -9.426 -2.287 -12.025 156 H1 LYS 1 HN LYS 1 -11.776 -3.532 -14.182 157 HA LYS 1 HA LYS 1 -9.158 -4.144 -15.393 158 HB2 LYS 1 HB2 LYS 1 -11.920 -3.843 -16.594 159 HB3 LYS 1 HB1 LYS 1 -10.453 -4.125 -17.535 160 HG2 LYS 1 HG2 LYS 1 -10.045 -6.209 -16.284 161 HG3 LYS 1 HG1 LYS 1 -11.512 -5.933 -15.344 162 HD2 LYS 1 HD2 LYS 1 -12.855 -6.012 -17.412 163 HD3 LYS 1 HD1 LYS 1 -11.389 -6.294 -18.352 164 HE2 LYS 1 HE2 LYS 1 -10.981 -8.381 -17.102 165 HE3 LYS 1 HE1 LYS 1 -12.445 -8.102 -16.158 166 HZ1 LYS 1 HZ1 LYS 1 -13.771 -8.669 -17.869 167 HZ2 LYS 1 HZ2 LYS 1 -12.406 -9.544 -18.377 168 HZ3 LYS 1 HZ3 LYS 1 -12.741 -8.020 -19.048 169 H ASN 2 HN ASN 2 -10.367 -1.589 -14.022 170 HA ASN 2 HA ASN 2 -10.388 0.409 -15.996 171 HB2 ASN 2 HB2 ASN 2 -9.870 1.942 -13.963 172 HB3 ASN 2 HB1 ASN 2 -11.393 1.067 -14.003 173 HD21 ASN 2 HD21 ASN 2 -8.023 0.133 -13.052 174 HD22 ASN 2 HD22 ASN 2 -8.485 -0.500 -11.550 175 HA PRO 3 HA PRO 3 -6.151 1.194 -17.056 176 HB2 PRO 3 HB2 PRO 3 -6.588 4.057 -16.261 177 HB3 PRO 3 HB1 PRO 3 -5.970 3.393 -17.787 178 HG2 PRO 3 HG2 PRO 3 -8.439 4.350 -17.617 179 HG3 PRO 3 HG1 PRO 3 -8.083 2.906 -18.586 180 HD2 PRO 3 HD2 PRO 3 -9.423 3.096 -15.910 181 HD3 PRO 3 HD1 PRO 3 -9.712 1.972 -17.253 182 H GLU 4 HN GLU 4 -7.384 2.271 -13.970 183 HA GLU 4 HA GLU 4 -4.972 3.040 -12.721 184 HB2 GLU 4 HB2 GLU 4 -7.539 1.923 -11.578 185 HB3 GLU 4 HB1 GLU 4 -6.211 2.533 -10.590 186 HG2 GLU 4 HG2 GLU 4 -6.383 4.727 -11.672 187 HG3 GLU 4 HG1 GLU 4 -7.670 4.128 -12.717 188 H ALA 5 HN ALA 5 -6.035 0.023 -13.795 189 HA ALA 5 HA ALA 5 -5.022 -1.753 -11.881 190 HB1 ALA 5 HB1 ALA 5 -5.095 -2.079 -14.894 191 HB2 ALA 5 HB2 ALA 5 -6.415 -2.466 -13.790 192 HB3 ALA 5 HB3 ALA 5 -4.910 -3.383 -13.722 193 H GLU 6 HN GLU 6 -3.407 0.153 -14.347 194 HA GLU 6 HA GLU 6 -0.940 -1.215 -14.401 195 HB2 GLU 6 HB2 GLU 6 -1.637 1.694 -14.868 196 HB3 GLU 6 HB1 GLU 6 -0.032 1.021 -15.158 197 HG2 GLU 6 HG2 GLU 6 -0.964 -0.580 -16.761 198 HG3 GLU 6 HG1 GLU 6 -2.591 0.017 -16.438 199 H GLU 7 HN GLU 7 -2.193 1.350 -12.311 200 HA GLU 7 HA GLU 7 0.210 1.804 -10.881 201 HB2 GLU 7 HB2 GLU 7 -1.636 3.420 -10.826 202 HB3 GLU 7 HB1 GLU 7 -2.659 2.243 -10.004 203 HG2 GLU 7 HG2 GLU 7 -1.683 3.826 -8.389 204 HG3 GLU 7 HG1 GLU 7 -1.080 2.202 -8.095 205 H ILE 8 HN ILE 8 -2.483 -0.413 -10.456 206 HA ILE 8 HA ILE 8 -1.803 -1.393 -7.886 207 HB ILE 8 HB ILE 8 -3.137 -2.896 -10.159 208 HG12 ILE 8 HG12 ILE 8 -4.281 -0.779 -9.772 209 HG13 ILE 8 HG11 ILE 8 -5.251 -2.088 -9.117 210 HG21 ILE 8 HG21 ILE 8 -4.179 -4.177 -8.341 211 HG22 ILE 8 HG22 ILE 8 -3.288 -3.239 -7.150 212 HG23 ILE 8 HG23 ILE 8 -2.428 -4.307 -8.257 213 HD11 ILE 8 HD11 ILE 8 -3.673 0.012 -7.663 214 HD12 ILE 8 HD12 ILE 8 -3.982 -1.534 -6.876 215 HD13 ILE 8 HD13 ILE 8 -5.328 -0.524 -7.391 216 H THR 9 HN THR 9 -0.835 -2.408 -11.145 217 HA THR 9 HA THR 9 0.624 -4.698 -10.409 218 HB THR 9 HB THR 9 1.081 -2.795 -12.720 219 HG1 THR 9 HG1 THR 9 -0.683 -3.673 -13.396 220 HG21 THR 9 HG21 THR 9 2.080 -4.926 -13.731 221 HG22 THR 9 HG22 THR 9 2.114 -5.562 -12.086 222 HG23 THR 9 HG23 THR 9 3.046 -4.121 -12.494 223 H ARG 10 HN ARG 10 1.582 -1.290 -10.692 224 HA ARG 10 HA ARG 10 4.339 -1.649 -10.213 225 HB2 ARG 10 HB2 ARG 10 3.340 0.452 -11.080 226 HB3 ARG 10 HB1 ARG 10 2.617 0.738 -9.497 227 HG2 ARG 10 HG2 ARG 10 4.801 0.868 -8.454 228 HG3 ARG 10 HG1 ARG 10 5.591 0.393 -9.958 229 HD2 ARG 10 HD2 ARG 10 5.779 2.794 -9.746 230 HD3 ARG 10 HD1 ARG 10 4.634 2.445 -11.037 231 HE ARG 10 HE ARG 10 3.250 2.754 -8.571 232 HH11 ARG 10 HH11 ARG 10 2.156 4.713 -8.209 233 HH12 ARG 10 HH12 ARG 10 2.539 6.104 -9.165 234 HH21 ARG 10 HH21 ARG 10 4.982 4.489 -11.018 235 HH22 ARG 10 HH22 ARG 10 4.139 5.979 -10.751 236 H CYS 11 HN CYS 11 1.613 -1.101 -8.022 237 HA CYS 11 HA CYS 11 3.082 -0.864 -5.635 238 HB2 CYS 11 HB2 CYS 11 0.635 -0.355 -5.957 239 HB3 CYS 11 HB1 CYS 11 0.339 -2.090 -5.920 240 H LYS 12 HN LYS 12 1.879 -3.660 -7.402 241 HA LYS 12 HA LYS 12 2.391 -5.598 -5.435 242 HB2 LYS 12 HB2 LYS 12 1.039 -6.018 -7.474 243 HB3 LYS 12 HB1 LYS 12 2.504 -5.917 -8.443 244 HG2 LYS 12 HG2 LYS 12 2.061 -8.253 -8.072 245 HG3 LYS 12 HG1 LYS 12 3.438 -7.834 -7.065 246 HD2 LYS 12 HD2 LYS 12 2.081 -7.762 -5.084 247 HD3 LYS 12 HD1 LYS 12 0.593 -7.814 -6.030 248 HE2 LYS 12 HE2 LYS 12 2.667 -10.018 -5.839 249 HE3 LYS 12 HE1 LYS 12 1.088 -10.015 -5.052 250 HZ1 LYS 12 HZ1 LYS 12 0.155 -9.702 -7.366 251 HZ2 LYS 12 HZ2 LYS 12 0.798 -11.234 -7.006 252 HZ3 LYS 12 HZ3 LYS 12 1.691 -10.133 -7.944 253 H LYS 13 HN LYS 13 4.414 -4.323 -8.054 254 HA LYS 13 HA LYS 13 6.618 -6.029 -7.651 255 HB2 LYS 13 HB2 LYS 13 6.429 -3.231 -8.783 256 HB3 LYS 13 HB1 LYS 13 7.917 -4.180 -8.789 257 HG2 LYS 13 HG2 LYS 13 6.772 -5.968 -10.053 258 HG3 LYS 13 HG1 LYS 13 5.287 -5.016 -10.052 259 HD2 LYS 13 HD2 LYS 13 6.459 -3.204 -11.269 260 HD3 LYS 13 HD1 LYS 13 7.923 -4.187 -11.303 261 HE2 LYS 13 HE2 LYS 13 5.262 -4.982 -12.522 262 HE3 LYS 13 HE1 LYS 13 6.651 -4.376 -13.422 263 HZ1 LYS 13 HZ1 LYS 13 7.580 -6.372 -13.389 264 HZ2 LYS 13 HZ2 LYS 13 6.139 -6.990 -12.734 265 HZ3 LYS 13 HZ3 LYS 13 7.404 -6.507 -11.707 266 H LEU 14 HN LEU 14 5.752 -2.918 -6.218 267 HA LEU 14 HA LEU 14 8.153 -2.505 -4.786 268 HB2 LEU 14 HB2 LEU 14 5.320 -1.572 -4.298 269 HB3 LEU 14 HB1 LEU 14 6.690 -1.030 -3.333 270 HG LEU 14 HG LEU 14 6.537 -0.787 -6.354 271 HD11 LEU 14 HD11 LEU 14 6.198 1.679 -5.831 272 HD12 LEU 14 HD12 LEU 14 5.851 1.193 -4.171 273 HD13 LEU 14 HD13 LEU 14 4.824 0.634 -5.486 274 HD21 LEU 14 HD21 LEU 14 8.803 -0.589 -5.918 275 HD22 LEU 14 HD22 LEU 14 8.552 -0.021 -4.267 276 HD23 LEU 14 HD23 LEU 14 8.326 1.079 -5.622 277 H LEU 15 HN LEU 15 5.144 -4.181 -3.962 278 HA LEU 15 HA LEU 15 5.809 -4.745 -1.270 279 HB2 LEU 15 HB2 LEU 15 3.963 -6.106 -3.237 280 HB3 LEU 15 HB1 LEU 15 4.069 -6.566 -1.541 281 HG LEU 15 HG LEU 15 3.480 -3.739 -2.476 282 HD11 LEU 15 HD11 LEU 15 1.613 -6.017 -1.786 283 HD12 LEU 15 HD12 LEU 15 1.640 -5.033 -3.252 284 HD13 LEU 15 HD13 LEU 15 1.108 -4.327 -1.726 285 HD21 LEU 15 HD21 LEU 15 2.440 -3.787 -0.037 286 HD22 LEU 15 HD22 LEU 15 4.167 -3.539 -0.243 287 HD23 LEU 15 HD23 LEU 15 3.553 -5.130 0.199 288 H ASP 16 HN ASP 16 6.348 -6.492 -4.289 289 HA ASP 16 HA ASP 16 7.450 -8.836 -3.127 290 HB2 ASP 16 HB2 ASP 16 7.682 -7.620 -5.880 291 HB3 ASP 16 HB1 ASP 16 8.417 -9.162 -5.446 292 H ASP 17 HN ASP 17 8.762 -5.727 -3.967 293 HA ASP 17 HA ASP 17 11.508 -6.385 -3.989 294 HB2 ASP 17 HB2 ASP 17 10.078 -3.788 -3.410 295 HB3 ASP 17 HB1 ASP 17 11.828 -3.927 -3.479 296 H SER 18 HN SER 18 9.296 -6.517 -1.497 297 HA SER 18 HA SER 18 10.650 -5.531 0.717 298 HB2 SER 18 HB2 SER 18 8.842 -7.943 0.515 299 HB3 SER 18 HB1 SER 18 9.325 -7.177 2.027 300 HG SER 18 HG SER 18 7.890 -5.689 1.674 301 H SER 19 HN SER 19 11.087 -8.478 -1.058 302 HA SER 19 HA SER 19 12.891 -9.648 0.877 303 HB2 SER 19 HB2 SER 19 13.161 -11.447 -0.717 304 HB3 SER 19 HB1 SER 19 11.452 -11.037 -0.615 305 HG SER 19 HG SER 19 11.529 -10.535 -2.647 306 H SER 20 HN SER 20 13.142 -7.300 -1.463 307 HA SER 20 HA SER 20 15.862 -7.817 -2.298 308 HB2 SER 20 HB2 SER 20 15.689 -5.855 -3.594 309 HB3 SER 20 HB1 SER 20 14.073 -6.553 -3.640 310 HG SER 20 HG SER 20 14.825 -4.696 -1.653 311 H1 LYS 1 HN LYS 1 17.689 -6.549 -1.752 312 HA LYS 1 HA LYS 1 17.567 -5.415 0.969 313 HB2 LYS 1 HB2 LYS 1 19.883 -6.383 -0.721 314 HB3 LYS 1 HB1 LYS 1 20.063 -5.631 0.867 315 HG2 LYS 1 HG2 LYS 1 18.644 -7.384 1.864 316 HG3 LYS 1 HG1 LYS 1 18.460 -8.139 0.280 317 HD2 LYS 1 HD2 LYS 1 20.900 -8.486 0.160 318 HD3 LYS 1 HD1 LYS 1 21.083 -7.738 1.748 319 HE2 LYS 1 HE2 LYS 1 19.665 -9.492 2.745 320 HE3 LYS 1 HE1 LYS 1 19.474 -10.242 1.160 321 HZ1 LYS 1 HZ1 LYS 1 21.548 -11.073 1.200 322 HZ2 LYS 1 HZ2 LYS 1 21.374 -10.926 2.883 323 HZ3 LYS 1 HZ3 LYS 1 22.205 -9.732 2.004 324 H ASN 2 HN ASN 2 17.038 -4.239 -1.896 325 HA ASN 2 HA ASN 2 18.926 -2.197 -2.266 326 HB2 ASN 2 HB2 ASN 2 16.951 -1.076 -3.540 327 HB3 ASN 2 HB1 ASN 2 17.616 -2.584 -4.148 328 HD21 ASN 2 HD21 ASN 2 15.235 -1.816 -1.526 329 HD22 ASN 2 HD22 ASN 2 14.062 -2.893 -2.101 330 HA PRO 3 HA PRO 3 18.076 0.913 0.783 331 HB2 PRO 3 HB2 PRO 3 17.703 2.868 -1.466 332 HB3 PRO 3 HB1 PRO 3 18.768 2.970 -0.049 333 HG2 PRO 3 HG2 PRO 3 19.741 2.415 -2.456 334 HG3 PRO 3 HG1 PRO 3 20.383 1.621 -1.004 335 HD2 PRO 3 HD2 PRO 3 18.578 0.501 -3.120 336 HD3 PRO 3 HD1 PRO 3 19.850 -0.292 -2.167 337 H GLU 4 HN GLU 4 15.899 0.507 -1.918 338 HA GLU 4 HA GLU 4 13.771 2.164 -1.089 339 HB2 GLU 4 HB2 GLU 4 13.794 -0.360 -2.754 340 HB3 GLU 4 HB1 GLU 4 12.366 0.651 -2.525 341 HG2 GLU 4 HG2 GLU 4 13.548 2.576 -3.480 342 HG3 GLU 4 HG1 GLU 4 15.008 1.605 -3.665 343 H ALA 5 HN ALA 5 15.026 -0.658 0.276 344 HA ALA 5 HA ALA 5 12.763 -1.967 1.280 345 HB1 ALA 5 HB1 ALA 5 15.486 -1.651 2.574 346 HB2 ALA 5 HB2 ALA 5 15.037 -2.906 1.421 347 HB3 ALA 5 HB3 ALA 5 14.275 -2.856 3.011 348 H GLU 6 HN GLU 6 14.390 0.966 2.322 349 HA GLU 6 HA GLU 6 13.288 1.173 4.912 350 HB2 GLU 6 HB2 GLU 6 14.173 3.285 2.931 351 HB3 GLU 6 HB1 GLU 6 13.702 3.646 4.593 352 HG2 GLU 6 HG2 GLU 6 15.460 2.156 5.436 353 HG3 GLU 6 HG1 GLU 6 15.908 1.727 3.786 354 H GLU 7 HN GLU 7 12.100 2.182 1.734 355 HA GLU 7 HA GLU 7 9.794 3.542 2.665 356 HB2 GLU 7 HB2 GLU 7 10.645 3.872 0.387 357 HB3 GLU 7 HB1 GLU 7 10.280 2.192 -0.005 358 HG2 GLU 7 HG2 GLU 7 8.497 3.679 -0.824 359 HG3 GLU 7 HG1 GLU 7 7.874 2.617 0.431 360 H ILE 8 HN ILE 8 10.457 0.200 1.800 361 HA ILE 8 HA ILE 8 7.796 -0.772 1.855 362 HB ILE 8 HB ILE 8 10.335 -2.246 2.618 363 HG12 ILE 8 HG12 ILE 8 10.599 -1.198 0.435 364 HG13 ILE 8 HG11 ILE 8 10.364 -2.925 0.223 365 HG21 ILE 8 HG21 ILE 8 9.084 -4.230 1.873 366 HG22 ILE 8 HG22 ILE 8 7.670 -3.228 1.557 367 HG23 ILE 8 HG23 ILE 8 8.258 -3.433 3.207 368 HD11 ILE 8 HD11 ILE 8 8.479 -0.668 -0.388 369 HD12 ILE 8 HD12 ILE 8 7.828 -2.267 -0.039 370 HD13 ILE 8 HD13 ILE 8 8.931 -2.043 -1.390 371 H THR 9 HN THR 9 10.245 -0.420 4.400 372 HA THR 9 HA THR 9 8.814 -1.679 6.470 373 HB THR 9 HB THR 9 10.800 0.602 6.623 374 HG1 THR 9 HG1 THR 9 12.135 -0.913 6.121 375 HG21 THR 9 HG21 THR 9 11.149 -0.413 8.948 376 HG22 THR 9 HG22 THR 9 9.617 -1.250 8.694 377 HG23 THR 9 HG23 THR 9 9.666 0.512 8.713 378 H ARG 10 HN ARG 10 8.849 1.687 5.341 379 HA ARG 10 HA ARG 10 7.198 2.764 7.359 380 HB2 ARG 10 HB2 ARG 10 8.534 4.132 5.774 381 HB3 ARG 10 HB1 ARG 10 7.439 3.660 4.475 382 HG2 ARG 10 HG2 ARG 10 5.564 4.717 5.589 383 HG3 ARG 10 HG1 ARG 10 6.548 5.055 7.013 384 HD2 ARG 10 HD2 ARG 10 6.415 7.084 5.705 385 HD3 ARG 10 HD1 ARG 10 8.050 6.449 5.566 386 HE ARG 10 HE ARG 10 6.453 5.462 3.433 387 HH11 ARG 10 HH11 ARG 10 6.698 6.423 1.387 388 HH12 ARG 10 HH12 ARG 10 7.461 7.970 1.246 389 HH21 ARG 10 HH21 ARG 10 7.981 8.321 4.654 390 HH22 ARG 10 HH22 ARG 10 8.183 9.046 3.095 391 H CYS 11 HN CYS 11 6.447 1.312 4.219 392 HA CYS 11 HA CYS 11 3.677 1.800 4.221 393 HB2 CYS 11 HB2 CYS 11 5.077 0.966 2.289 394 HB3 CYS 11 HB1 CYS 11 5.040 -0.621 3.045 395 H LYS 12 HN LYS 12 5.622 -0.782 5.618 396 HA LYS 12 HA LYS 12 3.517 -2.496 6.334 397 HB2 LYS 12 HB2 LYS 12 5.911 -3.149 6.382 398 HB3 LYS 12 HB1 LYS 12 6.156 -2.082 7.761 399 HG2 LYS 12 HG2 LYS 12 5.877 -4.305 8.634 400 HG3 LYS 12 HG1 LYS 12 4.396 -3.435 8.998 401 HD2 LYS 12 HD2 LYS 12 3.217 -4.513 7.200 402 HD3 LYS 12 HD1 LYS 12 4.713 -5.162 6.532 403 HE2 LYS 12 HE2 LYS 12 3.493 -5.883 9.212 404 HE3 LYS 12 HE1 LYS 12 3.485 -6.895 7.768 405 HZ1 LYS 12 HZ1 LYS 12 5.993 -6.645 7.833 406 HZ2 LYS 12 HZ2 LYS 12 5.288 -7.644 9.014 407 HZ3 LYS 12 HZ3 LYS 12 5.794 -6.073 9.417 408 H LYS 13 HN LYS 13 5.075 0.161 8.093 409 HA LYS 13 HA LYS 13 3.660 -0.143 10.507 410 HB2 LYS 13 HB2 LYS 13 4.917 2.285 9.214 411 HB3 LYS 13 HB1 LYS 13 4.226 2.301 10.837 412 HG2 LYS 13 HG2 LYS 13 5.760 0.485 11.509 413 HG3 LYS 13 HG1 LYS 13 6.456 0.475 9.888 414 HD2 LYS 13 HD2 LYS 13 7.145 2.836 10.176 415 HD3 LYS 13 HD1 LYS 13 6.480 2.821 11.811 416 HE2 LYS 13 HE2 LYS 13 8.689 0.999 10.810 417 HE3 LYS 13 HE1 LYS 13 8.927 2.424 11.820 418 HZ1 LYS 13 HZ1 LYS 13 8.382 1.276 13.617 419 HZ2 LYS 13 HZ2 LYS 13 8.375 -0.136 12.671 420 HZ3 LYS 13 HZ3 LYS 13 6.936 0.732 12.918 421 H LEU 14 HN LEU 14 2.925 1.657 7.557 422 HA LEU 14 HA LEU 14 0.618 2.979 8.516 423 HB2 LEU 14 HB2 LEU 14 1.461 2.139 5.737 424 HB3 LEU 14 HB1 LEU 14 0.035 3.122 6.055 425 HG LEU 14 HG LEU 14 2.834 3.850 6.977 426 HD11 LEU 14 HD11 LEU 14 2.639 5.591 5.120 427 HD12 LEU 14 HD12 LEU 14 1.292 4.638 4.496 428 HD13 LEU 14 HD13 LEU 14 2.902 3.934 4.597 429 HD21 LEU 14 HD21 LEU 14 1.440 5.123 8.336 430 HD22 LEU 14 HD22 LEU 14 0.133 5.159 7.152 431 HD23 LEU 14 HD23 LEU 14 1.542 6.190 6.941 432 H LEU 15 HN LEU 15 1.092 -0.166 6.964 433 HA LEU 15 HA LEU 15 -1.649 -0.825 6.728 434 HB2 LEU 15 HB2 LEU 15 0.841 -2.528 6.912 435 HB3 LEU 15 HB1 LEU 15 -0.759 -3.192 6.593 436 HG LEU 15 HG LEU 15 0.505 -0.994 4.926 437 HD11 LEU 15 HD11 LEU 15 0.539 -3.998 4.583 438 HD12 LEU 15 HD12 LEU 15 1.912 -2.889 4.615 439 HD13 LEU 15 HD13 LEU 15 0.809 -2.885 3.239 440 HD21 LEU 15 HD21 LEU 15 -1.245 -2.055 3.253 441 HD22 LEU 15 HD22 LEU 15 -1.798 -0.914 4.466 442 HD23 LEU 15 HD23 LEU 15 -2.013 -2.644 4.724 443 H ASP 16 HN ASP 16 0.731 -1.358 9.278 444 HA ASP 16 HA ASP 16 -0.928 -2.935 10.957 445 HB2 ASP 16 HB2 ASP 16 1.513 -1.246 11.500 446 HB3 ASP 16 HB1 ASP 16 0.714 -2.201 12.747 447 H ASP 17 HN ASP 17 -0.571 0.490 10.472 448 HA ASP 17 HA ASP 17 -1.786 1.416 12.845 449 HB2 ASP 17 HB2 ASP 17 -1.541 2.665 10.106 450 HB3 ASP 17 HB1 ASP 17 -2.247 3.497 11.484 451 H SER 18 HN SER 18 -3.074 -0.381 10.343 452 HA SER 18 HA SER 18 -5.597 0.698 9.913 453 HB2 SER 18 HB2 SER 18 -4.767 -2.204 10.038 454 HB3 SER 18 HB1 SER 18 -6.293 -1.627 9.371 455 HG SER 18 HG SER 18 -5.267 -1.121 7.618 456 H SER 19 HN SER 19 -4.356 -1.133 12.587 457 HA SER 19 HA SER 19 -6.949 -1.528 13.810 458 HB2 SER 19 HB2 SER 19 -5.741 -2.541 15.643 459 HB3 SER 19 HB1 SER 19 -5.059 -3.130 14.130 460 HG SER 19 HG SER 19 -3.244 -2.224 14.659 461 H SER 20 HN SER 20 -4.815 1.007 13.567 462 HA SER 20 HA SER 20 -5.264 2.203 16.160 463 HB2 SER 20 HB2 SER 20 -3.894 3.968 15.432 464 HB3 SER 20 HB1 SER 20 -3.213 2.549 14.644 465 HG SER 20 HG SER 20 -5.231 4.058 13.387 466 H2 ZBR 100 HA3 TBS 100 -1.658 1.295 -1.893 467 H4 ZBR 100 HC3 TBS 100 0.700 1.755 1.696 468 H6 ZBR 100 HB3 TBS 100 2.541 0.293 -1.926 469 H7 ZBR 100 HB11 TBS 100 0.886 1.072 -4.118 470 H7A ZBR 100 HB12 TBS 100 -0.713 0.372 -3.827 471 H8 ZBR 100 HA11 TBS 100 -2.150 3.016 0.286 472 H8A ZBR 100 HA12 TBS 100 -1.597 2.214 1.762 473 H9 ZBR 100 HC11 TBS 100 3.449 1.898 0.904 474 H9A ZBR 100 HC12 TBS 100 3.800 0.391 0.049 Start of MODEL 5 1 H1 LYS 1 HN LYS 1 -6.814 4.325 17.710 2 HA LYS 1 HA LYS 1 -9.118 4.683 16.035 3 HB2 LYS 1 HB2 LYS 1 -8.295 5.974 18.645 4 HB3 LYS 1 HB1 LYS 1 -9.841 6.266 17.846 5 HG2 LYS 1 HG2 LYS 1 -10.348 3.848 17.951 6 HG3 LYS 1 HG1 LYS 1 -8.811 3.567 18.770 7 HD2 LYS 1 HD2 LYS 1 -9.515 5.011 20.629 8 HD3 LYS 1 HD1 LYS 1 -11.039 5.345 19.806 9 HE2 LYS 1 HE2 LYS 1 -11.383 3.591 21.476 10 HE3 LYS 1 HE1 LYS 1 -11.568 2.913 19.859 11 HZ1 LYS 1 HZ1 LYS 1 -9.426 1.970 19.954 12 HZ2 LYS 1 HZ2 LYS 1 -10.161 1.595 21.440 13 HZ3 LYS 1 HZ3 LYS 1 -9.009 2.841 21.347 14 H ASN 2 HN ASN 2 -6.228 5.791 15.507 15 HA ASN 2 HA ASN 2 -6.453 8.600 15.364 16 HB2 ASN 2 HB2 ASN 2 -4.484 8.440 13.861 17 HB3 ASN 2 HB1 ASN 2 -4.293 7.474 15.317 18 HD21 ASN 2 HD21 ASN 2 -2.857 6.931 12.861 19 HD22 ASN 2 HD22 ASN 2 -3.382 5.424 12.284 20 HA PRO 3 HA PRO 3 -9.025 9.170 11.797 21 HB2 PRO 3 HB2 PRO 3 -7.993 11.513 10.765 22 HB3 PRO 3 HB1 PRO 3 -9.025 11.444 12.208 23 HG2 PRO 3 HG2 PRO 3 -6.045 11.615 12.026 24 HG3 PRO 3 HG1 PRO 3 -7.158 12.486 13.099 25 HD2 PRO 3 HD2 PRO 3 -5.753 10.347 13.967 26 HD3 PRO 3 HD1 PRO 3 -7.402 10.672 14.545 27 H GLU 4 HN GLU 4 -5.590 8.898 11.499 28 HA GLU 4 HA GLU 4 -5.315 8.957 8.683 29 HB2 GLU 4 HB2 GLU 4 -3.680 7.520 10.789 30 HB3 GLU 4 HB1 GLU 4 -3.195 7.714 9.103 31 HG2 GLU 4 HG2 GLU 4 -3.833 10.014 10.972 32 HG3 GLU 4 HG1 GLU 4 -2.203 9.445 10.623 33 H ALA 5 HN ALA 5 -6.722 6.660 10.785 34 HA ALA 5 HA ALA 5 -6.266 4.243 9.439 35 HB1 ALA 5 HB1 ALA 5 -7.392 4.595 11.699 36 HB2 ALA 5 HB2 ALA 5 -8.139 3.392 10.646 37 HB3 ALA 5 HB3 ALA 5 -8.856 4.995 10.800 38 H GLU 6 HN GLU 6 -8.482 6.886 8.789 39 HA GLU 6 HA GLU 6 -10.174 5.585 6.945 40 HB2 GLU 6 HB2 GLU 6 -9.342 8.482 7.196 41 HB3 GLU 6 HB1 GLU 6 -10.587 7.915 6.082 42 HG2 GLU 6 HG2 GLU 6 -11.882 7.004 7.952 43 HG3 GLU 6 HG1 GLU 6 -10.624 7.497 9.084 44 H GLU 7 HN GLU 7 -7.032 7.175 6.576 45 HA GLU 7 HA GLU 7 -6.951 7.218 3.755 46 HB2 GLU 7 HB2 GLU 7 -5.370 8.459 5.238 47 HB3 GLU 7 HB1 GLU 7 -4.620 6.923 5.669 48 HG2 GLU 7 HG2 GLU 7 -3.320 7.959 3.890 49 HG3 GLU 7 HG1 GLU 7 -4.126 6.534 3.242 50 H ILE 8 HN ILE 8 -5.985 4.776 6.129 51 HA ILE 8 HA ILE 8 -4.815 2.935 4.300 52 HB ILE 8 HB ILE 8 -6.011 2.644 7.055 53 HG12 ILE 8 HG12 ILE 8 -3.719 2.234 7.686 54 HG13 ILE 8 HG11 ILE 8 -3.227 2.068 6.005 55 HG21 ILE 8 HG21 ILE 8 -5.162 0.477 5.129 56 HG22 ILE 8 HG22 ILE 8 -6.570 0.522 6.190 57 HG23 ILE 8 HG23 ILE 8 -4.968 0.244 6.862 58 HD11 ILE 8 HD11 ILE 8 -3.505 4.386 5.585 59 HD12 ILE 8 HD12 ILE 8 -2.704 4.302 7.153 60 HD13 ILE 8 HD13 ILE 8 -4.432 4.613 7.065 61 H THR 9 HN THR 9 -8.145 3.389 5.408 62 HA THR 9 HA THR 9 -9.263 1.083 4.248 63 HB THR 9 HB THR 9 -10.497 3.822 4.659 64 HG1 THR 9 HG1 THR 9 -11.283 1.962 6.377 65 HG21 THR 9 HG21 THR 9 -11.699 1.096 4.116 66 HG22 THR 9 HG22 THR 9 -11.877 2.558 3.145 67 HG23 THR 9 HG23 THR 9 -12.627 2.460 4.739 68 H ARG 10 HN ARG 10 -8.698 4.334 2.931 69 HA ARG 10 HA ARG 10 -9.924 3.915 0.417 70 HB2 ARG 10 HB2 ARG 10 -9.224 6.145 1.340 71 HB3 ARG 10 HB1 ARG 10 -7.550 5.700 1.006 72 HG2 ARG 10 HG2 ARG 10 -8.158 5.355 -1.390 73 HG3 ARG 10 HG1 ARG 10 -9.790 5.916 -1.028 74 HD2 ARG 10 HD2 ARG 10 -8.563 7.798 -1.891 75 HD3 ARG 10 HD1 ARG 10 -8.772 8.053 -0.161 76 HE ARG 10 HE ARG 10 -6.463 7.796 0.117 77 HH11 ARG 10 HH11 ARG 10 -4.354 7.622 -0.719 78 HH12 ARG 10 HH12 ARG 10 -4.120 7.150 -2.368 79 HH21 ARG 10 HH21 ARG 10 -7.508 6.845 -3.040 80 HH22 ARG 10 HH22 ARG 10 -5.905 6.709 -3.684 81 H CYS 11 HN CYS 11 -6.636 3.341 1.613 82 HA CYS 11 HA CYS 11 -5.375 2.686 -0.785 83 HB2 CYS 11 HB2 CYS 11 -4.197 2.940 1.371 84 HB3 CYS 11 HB1 CYS 11 -4.914 1.431 1.926 85 H LYS 12 HN LYS 12 -7.281 0.638 1.398 86 HA LYS 12 HA LYS 12 -6.878 -1.796 0.026 87 HB2 LYS 12 HB2 LYS 12 -9.164 -0.823 1.748 88 HB3 LYS 12 HB1 LYS 12 -9.050 -2.470 1.124 89 HG2 LYS 12 HG2 LYS 12 -6.867 -2.747 2.232 90 HG3 LYS 12 HG1 LYS 12 -6.971 -1.099 2.855 91 HD2 LYS 12 HD2 LYS 12 -9.021 -1.685 4.086 92 HD3 LYS 12 HD1 LYS 12 -8.934 -3.330 3.458 93 HE2 LYS 12 HE2 LYS 12 -6.750 -3.643 4.559 94 HE3 LYS 12 HE1 LYS 12 -6.828 -1.995 5.185 95 HZ1 LYS 12 HZ1 LYS 12 -9.184 -3.532 5.748 96 HZ2 LYS 12 HZ2 LYS 12 -8.219 -2.603 6.794 97 HZ3 LYS 12 HZ3 LYS 12 -7.785 -4.206 6.432 98 H LYS 13 HN LYS 13 -9.227 0.807 -0.375 99 HA LYS 13 HA LYS 13 -10.902 -0.452 -2.256 100 HB2 LYS 13 HB2 LYS 13 -11.447 1.682 -1.109 101 HB3 LYS 13 HB1 LYS 13 -10.225 2.491 -2.088 102 HG2 LYS 13 HG2 LYS 13 -11.417 1.868 -4.140 103 HG3 LYS 13 HG1 LYS 13 -12.625 1.004 -3.189 104 HD2 LYS 13 HD2 LYS 13 -13.250 3.105 -2.063 105 HD3 LYS 13 HD1 LYS 13 -12.033 3.973 -2.998 106 HE2 LYS 13 HE2 LYS 13 -14.234 4.255 -4.037 107 HE3 LYS 13 HE1 LYS 13 -13.193 3.299 -5.092 108 HZ1 LYS 13 HZ1 LYS 13 -14.262 1.327 -4.462 109 HZ2 LYS 13 HZ2 LYS 13 -15.519 2.440 -4.725 110 HZ3 LYS 13 HZ3 LYS 13 -15.038 2.055 -3.141 111 H LEU 14 HN LEU 14 -7.872 1.348 -2.660 112 HA LEU 14 HA LEU 14 -7.893 1.569 -5.473 113 HB2 LEU 14 HB2 LEU 14 -5.618 1.328 -3.493 114 HB3 LEU 14 HB1 LEU 14 -5.376 1.702 -5.191 115 HG LEU 14 HG LEU 14 -7.182 3.345 -3.388 116 HD11 LEU 14 HD11 LEU 14 -5.437 4.739 -2.779 117 HD12 LEU 14 HD12 LEU 14 -4.480 4.367 -4.213 118 HD13 LEU 14 HD13 LEU 14 -4.537 3.231 -2.874 119 HD21 LEU 14 HD21 LEU 14 -6.535 5.063 -5.255 120 HD22 LEU 14 HD22 LEU 14 -7.733 3.833 -5.630 121 HD23 LEU 14 HD23 LEU 14 -6.066 3.638 -6.179 122 H LEU 15 HN LEU 15 -6.566 -0.958 -3.341 123 HA LEU 15 HA LEU 15 -5.588 -2.578 -5.489 124 HB2 LEU 15 HB2 LEU 15 -6.065 -3.043 -2.559 125 HB3 LEU 15 HB1 LEU 15 -5.671 -4.399 -3.617 126 HG LEU 15 HG LEU 15 -3.609 -3.305 -4.331 127 HD11 LEU 15 HD11 LEU 15 -2.949 -1.157 -3.134 128 HD12 LEU 15 HD12 LEU 15 -4.626 -1.036 -2.619 129 HD13 LEU 15 HD13 LEU 15 -4.231 -0.988 -4.329 130 HD21 LEU 15 HD21 LEU 15 -2.482 -3.079 -2.043 131 HD22 LEU 15 HD22 LEU 15 -3.310 -4.607 -2.354 132 HD23 LEU 15 HD23 LEU 15 -4.075 -3.380 -1.344 133 H ASP 16 HN ASP 16 -8.627 -2.446 -3.727 134 HA ASP 16 HA ASP 16 -9.769 -4.842 -4.659 135 HB2 ASP 16 HB2 ASP 16 -10.994 -2.222 -3.789 136 HB3 ASP 16 HB1 ASP 16 -11.955 -3.644 -4.188 137 H ASP 17 HN ASP 17 -9.657 -1.602 -6.060 138 HA ASP 17 HA ASP 17 -11.462 -2.099 -8.195 139 HB2 ASP 17 HB2 ASP 17 -9.261 -0.069 -7.821 140 HB3 ASP 17 HB1 ASP 17 -10.296 -0.106 -9.247 141 H SER 18 HN SER 18 -8.377 -3.289 -7.577 142 HA SER 18 HA SER 18 -7.195 -3.364 -10.112 143 HB2 SER 18 HB2 SER 18 -5.792 -5.114 -9.229 144 HB3 SER 18 HB1 SER 18 -6.093 -3.951 -7.946 145 HG SER 18 HG SER 18 -7.401 -6.427 -8.377 146 H SER 19 HN SER 19 -9.860 -5.049 -8.853 147 HA SER 19 HA SER 19 -9.721 -7.275 -10.693 148 HB2 SER 19 HB2 SER 19 -11.924 -6.327 -8.855 149 HB3 SER 19 HB1 SER 19 -11.994 -7.805 -9.811 150 HG SER 19 HG SER 19 -10.889 -7.443 -7.442 151 H SER 20 HN SER 20 -10.757 -4.088 -10.819 152 HA SER 20 HA SER 20 -12.807 -4.439 -12.835 153 HB2 SER 20 HB2 SER 20 -11.409 -1.901 -11.966 154 HB3 SER 20 HB1 SER 20 -12.897 -2.015 -12.900 155 HG SER 20 HG SER 20 -13.777 -3.166 -11.071 156 H1 LYS 1 HN LYS 1 -12.651 -3.771 -15.011 157 HA LYS 1 HA LYS 1 -10.125 -4.361 -16.238 158 HB2 LYS 1 HB2 LYS 1 -12.751 -3.380 -17.377 159 HB3 LYS 1 HB1 LYS 1 -11.346 -3.794 -18.360 160 HG2 LYS 1 HG2 LYS 1 -11.361 -6.078 -17.418 161 HG3 LYS 1 HG1 LYS 1 -12.779 -5.666 -16.453 162 HD2 LYS 1 HD2 LYS 1 -14.065 -5.216 -18.494 163 HD3 LYS 1 HD1 LYS 1 -12.648 -5.573 -19.481 164 HE2 LYS 1 HE2 LYS 1 -14.100 -7.540 -19.398 165 HE3 LYS 1 HE1 LYS 1 -12.602 -7.874 -18.532 166 HZ1 LYS 1 HZ1 LYS 1 -13.660 -7.555 -16.469 167 HZ2 LYS 1 HZ2 LYS 1 -14.705 -8.543 -17.373 168 HZ3 LYS 1 HZ3 LYS 1 -15.048 -6.891 -17.183 169 H ASN 2 HN ASN 2 -10.830 -1.810 -14.546 170 HA ASN 2 HA ASN 2 -10.429 0.415 -16.235 171 HB2 ASN 2 HB2 ASN 2 -9.934 1.622 -14.121 172 HB3 ASN 2 HB1 ASN 2 -11.393 0.646 -14.011 173 HD21 ASN 2 HD21 ASN 2 -9.843 1.435 -11.697 174 HD22 ASN 2 HD22 ASN 2 -9.200 0.024 -11.006 175 HA PRO 3 HA PRO 3 -6.070 0.233 -17.037 176 HB2 PRO 3 HB2 PRO 3 -5.446 2.917 -17.202 177 HB3 PRO 3 HB1 PRO 3 -6.302 2.027 -18.478 178 HG2 PRO 3 HG2 PRO 3 -7.416 3.780 -16.326 179 HG3 PRO 3 HG1 PRO 3 -7.846 3.700 -18.046 180 HD2 PRO 3 HD2 PRO 3 -9.367 2.505 -16.161 181 HD3 PRO 3 HD1 PRO 3 -9.153 1.785 -17.771 182 H GLU 4 HN GLU 4 -7.313 1.887 -14.267 183 HA GLU 4 HA GLU 4 -4.902 2.646 -12.996 184 HB2 GLU 4 HB2 GLU 4 -7.594 1.898 -11.825 185 HB3 GLU 4 HB1 GLU 4 -6.281 2.651 -10.918 186 HG2 GLU 4 HG2 GLU 4 -7.535 3.843 -13.407 187 HG3 GLU 4 HG1 GLU 4 -7.973 4.298 -11.763 188 H ALA 5 HN ALA 5 -6.323 -0.415 -13.550 189 HA ALA 5 HA ALA 5 -5.459 -1.897 -11.336 190 HB1 ALA 5 HB1 ALA 5 -6.980 -2.656 -13.230 191 HB2 ALA 5 HB2 ALA 5 -5.777 -3.833 -12.697 192 HB3 ALA 5 HB3 ALA 5 -5.517 -2.915 -14.180 193 H GLU 6 HN GLU 6 -3.748 -0.766 -14.183 194 HA GLU 6 HA GLU 6 -1.436 -2.369 -13.963 195 HB2 GLU 6 HB2 GLU 6 -1.841 0.411 -15.086 196 HB3 GLU 6 HB1 GLU 6 -0.335 -0.497 -15.238 197 HG2 GLU 6 HG2 GLU 6 -1.512 -2.305 -16.399 198 HG3 GLU 6 HG1 GLU 6 -3.045 -1.457 -16.202 199 H GLU 7 HN GLU 7 -2.371 0.679 -12.424 200 HA GLU 7 HA GLU 7 0.132 1.318 -11.287 201 HB2 GLU 7 HB2 GLU 7 -1.812 2.885 -11.409 202 HB3 GLU 7 HB1 GLU 7 -2.618 1.927 -10.167 203 HG2 GLU 7 HG2 GLU 7 -1.520 3.822 -9.107 204 HG3 GLU 7 HG1 GLU 7 -0.675 2.348 -8.642 205 H ILE 8 HN ILE 8 -2.574 -0.659 -10.142 206 HA ILE 8 HA ILE 8 -1.552 -1.203 -7.541 207 HB ILE 8 HB ILE 8 -3.526 -2.617 -9.331 208 HG12 ILE 8 HG12 ILE 8 -5.114 -1.874 -7.672 209 HG13 ILE 8 HG11 ILE 8 -3.826 -1.416 -6.566 210 HG21 ILE 8 HG21 ILE 8 -2.293 -3.585 -6.750 211 HG22 ILE 8 HG22 ILE 8 -2.648 -4.497 -8.216 212 HG23 ILE 8 HG23 ILE 8 -3.954 -4.008 -7.144 213 HD11 ILE 8 HD11 ILE 8 -3.187 0.434 -7.902 214 HD12 ILE 8 HD12 ILE 8 -4.950 0.476 -7.887 215 HD13 ILE 8 HD13 ILE 8 -4.099 -0.163 -9.286 216 H THR 9 HN THR 9 -1.075 -2.804 -10.660 217 HA THR 9 HA THR 9 0.307 -5.070 -9.732 218 HB THR 9 HB THR 9 0.644 -3.543 -12.327 219 HG1 THR 9 HG1 THR 9 -0.677 -5.842 -12.511 220 HG21 THR 9 HG21 THR 9 1.486 -6.319 -11.463 221 HG22 THR 9 HG22 THR 9 2.524 -5.015 -12.040 222 HG23 THR 9 HG23 THR 9 1.407 -5.811 -13.149 223 H ARG 10 HN ARG 10 1.451 -1.830 -10.628 224 HA ARG 10 HA ARG 10 4.216 -2.329 -10.310 225 HB2 ARG 10 HB2 ARG 10 3.230 -0.302 -11.411 226 HB3 ARG 10 HB1 ARG 10 2.767 0.282 -9.811 227 HG2 ARG 10 HG2 ARG 10 5.158 0.157 -9.109 228 HG3 ARG 10 HG1 ARG 10 5.587 -0.320 -10.752 229 HD2 ARG 10 HD2 ARG 10 5.946 2.052 -10.588 230 HD3 ARG 10 HD1 ARG 10 4.500 1.807 -11.562 231 HE ARG 10 HE ARG 10 3.228 2.768 -9.848 232 HH11 ARG 10 HH11 ARG 10 3.053 3.912 -7.889 233 HH12 ARG 10 HH12 ARG 10 4.404 3.978 -6.807 234 HH21 ARG 10 HH21 ARG 10 6.460 2.061 -8.839 235 HH22 ARG 10 HH22 ARG 10 6.335 2.930 -7.346 236 H CYS 11 HN CYS 11 1.685 -1.298 -8.052 237 HA CYS 11 HA CYS 11 3.252 -0.698 -5.828 238 HB2 CYS 11 HB2 CYS 11 0.813 -0.305 -5.953 239 HB3 CYS 11 HB1 CYS 11 0.543 -2.041 -5.840 240 H LYS 12 HN LYS 12 1.988 -3.833 -6.916 241 HA LYS 12 HA LYS 12 2.902 -5.353 -4.722 242 HB2 LYS 12 HB2 LYS 12 2.406 -6.101 -7.608 243 HB3 LYS 12 HB1 LYS 12 2.814 -7.275 -6.356 244 HG2 LYS 12 HG2 LYS 12 0.854 -6.566 -5.041 245 HG3 LYS 12 HG1 LYS 12 0.444 -5.386 -6.286 246 HD2 LYS 12 HD2 LYS 12 0.188 -7.199 -7.932 247 HD3 LYS 12 HD1 LYS 12 0.609 -8.386 -6.698 248 HE2 LYS 12 HE2 LYS 12 -1.346 -7.700 -5.362 249 HE3 LYS 12 HE1 LYS 12 -1.769 -6.507 -6.590 250 HZ1 LYS 12 HZ1 LYS 12 -1.354 -9.142 -7.653 251 HZ2 LYS 12 HZ2 LYS 12 -2.644 -8.064 -7.896 252 HZ3 LYS 12 HZ3 LYS 12 -2.625 -9.076 -6.532 253 H LYS 13 HN LYS 13 4.440 -4.368 -7.742 254 HA LYS 13 HA LYS 13 6.783 -5.915 -7.521 255 HB2 LYS 13 HB2 LYS 13 6.116 -4.670 -9.565 256 HB3 LYS 13 HB1 LYS 13 6.514 -3.162 -8.746 257 HG2 LYS 13 HG2 LYS 13 8.838 -3.894 -8.467 258 HG3 LYS 13 HG1 LYS 13 8.457 -5.436 -9.232 259 HD2 LYS 13 HD2 LYS 13 7.839 -4.261 -11.309 260 HD3 LYS 13 HD1 LYS 13 8.204 -2.713 -10.545 261 HE2 LYS 13 HE2 LYS 13 10.109 -3.439 -11.906 262 HE3 LYS 13 HE1 LYS 13 10.548 -3.459 -10.198 263 HZ1 LYS 13 HZ1 LYS 13 10.323 -5.779 -10.105 264 HZ2 LYS 13 HZ2 LYS 13 11.180 -5.478 -11.540 265 HZ3 LYS 13 HZ3 LYS 13 9.526 -5.857 -11.600 266 H LEU 14 HN LEU 14 5.939 -2.746 -6.167 267 HA LEU 14 HA LEU 14 8.490 -2.016 -5.208 268 HB2 LEU 14 HB2 LEU 14 5.709 -1.403 -4.184 269 HB3 LEU 14 HB1 LEU 14 7.155 -0.628 -3.558 270 HG LEU 14 HG LEU 14 6.408 -0.590 -6.500 271 HD11 LEU 14 HD11 LEU 14 5.212 1.379 -6.245 272 HD12 LEU 14 HD12 LEU 14 6.056 1.840 -4.767 273 HD13 LEU 14 HD13 LEU 14 4.798 0.614 -4.715 274 HD21 LEU 14 HD21 LEU 14 7.922 1.538 -6.271 275 HD22 LEU 14 HD22 LEU 14 8.694 -0.040 -6.318 276 HD23 LEU 14 HD23 LEU 14 8.470 0.787 -4.775 277 H LEU 15 HN LEU 15 5.843 -3.819 -3.649 278 HA LEU 15 HA LEU 15 7.252 -4.207 -1.187 279 HB2 LEU 15 HB2 LEU 15 4.795 -5.427 -2.416 280 HB3 LEU 15 HB1 LEU 15 5.491 -6.124 -0.951 281 HG LEU 15 HG LEU 15 5.304 -3.988 0.213 282 HD11 LEU 15 HD11 LEU 15 4.077 -2.105 -0.988 283 HD12 LEU 15 HD12 LEU 15 4.360 -2.995 -2.478 284 HD13 LEU 15 HD13 LEU 15 5.723 -2.407 -1.539 285 HD21 LEU 15 HD21 LEU 15 2.778 -3.657 0.019 286 HD22 LEU 15 HD22 LEU 15 3.314 -5.301 0.379 287 HD23 LEU 15 HD23 LEU 15 2.814 -4.876 -1.258 288 H ASP 16 HN ASP 16 6.989 -6.064 -4.161 289 HA ASP 16 HA ASP 16 8.174 -8.458 -3.277 290 HB2 ASP 16 HB2 ASP 16 8.077 -7.131 -5.989 291 HB3 ASP 16 HB1 ASP 16 8.768 -8.732 -5.729 292 H ASP 17 HN ASP 17 9.586 -5.454 -4.484 293 HA ASP 17 HA ASP 17 12.256 -6.398 -4.690 294 HB2 ASP 17 HB2 ASP 17 11.094 -3.632 -4.373 295 HB3 ASP 17 HB1 ASP 17 12.822 -3.928 -4.552 296 H SER 18 HN SER 18 10.294 -5.866 -2.012 297 HA SER 18 HA SER 18 12.060 -4.798 -0.121 298 HB2 SER 18 HB2 SER 18 10.550 -5.673 1.545 299 HB3 SER 18 HB1 SER 18 9.598 -5.124 0.172 300 HG SER 18 HG SER 18 10.405 -7.778 0.758 301 H SER 19 HN SER 19 11.977 -7.845 -1.612 302 HA SER 19 HA SER 19 13.430 -9.250 0.455 303 HB2 SER 19 HB2 SER 19 12.791 -9.988 -2.404 304 HB3 SER 19 HB1 SER 19 13.596 -11.057 -1.259 305 HG SER 19 HG SER 19 10.996 -10.598 -1.562 306 H SER 20 HN SER 20 14.196 -7.135 -2.033 307 HA SER 20 HA SER 20 16.877 -8.109 -2.538 308 HB2 SER 20 HB2 SER 20 15.659 -5.440 -3.275 309 HB3 SER 20 HB1 SER 20 17.129 -6.149 -3.940 310 HG SER 20 HG SER 20 15.755 -7.926 -4.623 311 H1 LYS 1 HN LYS 1 18.808 -7.051 -1.926 312 HA LYS 1 HA LYS 1 18.760 -5.965 0.730 313 HB2 LYS 1 HB2 LYS 1 20.998 -6.317 -1.276 314 HB3 LYS 1 HB1 LYS 1 21.236 -5.724 0.369 315 HG2 LYS 1 HG2 LYS 1 20.244 -7.805 1.260 316 HG3 LYS 1 HG1 LYS 1 20.028 -8.402 -0.386 317 HD2 LYS 1 HD2 LYS 1 22.454 -8.309 -0.760 318 HD3 LYS 1 HD1 LYS 1 22.691 -7.664 0.864 319 HE2 LYS 1 HE2 LYS 1 23.122 -10.070 0.874 320 HE3 LYS 1 HE1 LYS 1 21.663 -9.728 1.802 321 HZ1 LYS 1 HZ1 LYS 1 20.305 -10.426 0.027 322 HZ2 LYS 1 HZ2 LYS 1 21.506 -11.617 0.184 323 HZ3 LYS 1 HZ3 LYS 1 21.602 -10.469 -1.064 324 H ASN 2 HN ASN 2 17.723 -4.559 -1.880 325 HA ASN 2 HA ASN 2 19.210 -2.181 -2.167 326 HB2 ASN 2 HB2 ASN 2 17.172 -1.336 -3.311 327 HB3 ASN 2 HB1 ASN 2 17.642 -2.934 -3.871 328 HD21 ASN 2 HD21 ASN 2 14.942 -1.918 -4.091 329 HD22 ASN 2 HD22 ASN 2 13.951 -2.877 -3.099 330 HA PRO 3 HA PRO 3 18.034 0.132 1.431 331 HB2 PRO 3 HB2 PRO 3 18.085 2.710 0.445 332 HB3 PRO 3 HB1 PRO 3 19.544 1.774 0.822 333 HG2 PRO 3 HG2 PRO 3 18.212 2.210 -1.819 334 HG3 PRO 3 HG1 PRO 3 19.937 2.250 -1.410 335 HD2 PRO 3 HD2 PRO 3 18.821 0.092 -2.592 336 HD3 PRO 3 HD1 PRO 3 20.129 -0.076 -1.401 337 H GLU 4 HN GLU 4 16.188 0.299 -1.488 338 HA GLU 4 HA GLU 4 14.047 1.950 -0.650 339 HB2 GLU 4 HB2 GLU 4 14.112 -0.316 -2.657 340 HB3 GLU 4 HB1 GLU 4 12.778 0.823 -2.474 341 HG2 GLU 4 HG2 GLU 4 15.636 1.628 -3.081 342 HG3 GLU 4 HG1 GLU 4 14.376 1.454 -4.301 343 H ALA 5 HN ALA 5 14.970 -1.215 0.248 344 HA ALA 5 HA ALA 5 12.510 -2.422 0.834 345 HB1 ALA 5 HB1 ALA 5 14.816 -3.486 0.895 346 HB2 ALA 5 HB2 ALA 5 13.749 -3.915 2.233 347 HB3 ALA 5 HB3 ALA 5 15.031 -2.728 2.473 348 H GLU 6 HN GLU 6 14.391 -0.017 2.561 349 HA GLU 6 HA GLU 6 13.086 -0.158 5.058 350 HB2 GLU 6 HB2 GLU 6 14.449 2.141 3.642 351 HB3 GLU 6 HB1 GLU 6 13.870 2.222 5.307 352 HG2 GLU 6 HG2 GLU 6 15.309 0.339 5.928 353 HG3 GLU 6 HG1 GLU 6 15.855 0.184 4.259 354 H GLU 7 HN GLU 7 12.305 1.558 2.062 355 HA GLU 7 HA GLU 7 10.235 3.185 3.079 356 HB2 GLU 7 HB2 GLU 7 11.295 3.471 0.833 357 HB3 GLU 7 HB1 GLU 7 10.466 2.011 0.294 358 HG2 GLU 7 HG2 GLU 7 9.161 3.947 -0.387 359 HG3 GLU 7 HG1 GLU 7 8.281 3.092 0.876 360 H ILE 8 HN ILE 8 10.256 -0.103 1.766 361 HA ILE 8 HA ILE 8 7.440 -0.523 1.791 362 HB ILE 8 HB ILE 8 9.815 -2.382 1.846 363 HG12 ILE 8 HG12 ILE 8 9.059 -2.937 -0.378 364 HG13 ILE 8 HG11 ILE 8 7.535 -2.096 -0.129 365 HG21 ILE 8 HG21 ILE 8 6.897 -3.040 2.266 366 HG22 ILE 8 HG22 ILE 8 8.306 -3.682 3.110 367 HG23 ILE 8 HG23 ILE 8 7.956 -4.192 1.462 368 HD11 ILE 8 HD11 ILE 8 8.575 0.033 -0.179 369 HD12 ILE 8 HD12 ILE 8 9.330 -0.868 -1.493 370 HD13 ILE 8 HD13 ILE 8 10.177 -0.667 0.035 371 H THR 9 HN THR 9 9.929 -0.982 4.262 372 HA THR 9 HA THR 9 8.347 -2.305 6.173 373 HB THR 9 HB THR 9 10.632 -0.356 6.586 374 HG1 THR 9 HG1 THR 9 11.210 -2.927 6.976 375 HG21 THR 9 HG21 THR 9 9.309 -2.377 8.411 376 HG22 THR 9 HG22 THR 9 9.464 -0.639 8.669 377 HG23 THR 9 HG23 THR 9 10.892 -1.671 8.733 378 H ARG 10 HN ARG 10 8.864 1.152 5.544 379 HA ARG 10 HA ARG 10 7.346 2.140 7.714 380 HB2 ARG 10 HB2 ARG 10 8.893 3.511 6.291 381 HB3 ARG 10 HB1 ARG 10 7.696 3.429 4.996 382 HG2 ARG 10 HG2 ARG 10 6.015 4.454 6.528 383 HG3 ARG 10 HG1 ARG 10 7.269 4.612 7.756 384 HD2 ARG 10 HD2 ARG 10 7.121 6.727 6.622 385 HD3 ARG 10 HD1 ARG 10 8.610 5.952 6.091 386 HE ARG 10 HE ARG 10 7.688 5.733 3.951 387 HH11 ARG 10 HH11 ARG 10 6.080 6.203 2.408 388 HH12 ARG 10 HH12 ARG 10 4.526 6.762 2.930 389 HH21 ARG 10 HH21 ARG 10 5.330 6.662 6.302 390 HH22 ARG 10 HH22 ARG 10 4.100 7.022 5.136 391 H CYS 11 HN CYS 11 6.482 1.211 4.402 392 HA CYS 11 HA CYS 11 3.842 2.100 4.338 393 HB2 CYS 11 HB2 CYS 11 5.033 1.164 2.386 394 HB3 CYS 11 HB1 CYS 11 4.944 -0.436 3.115 395 H LYS 12 HN LYS 12 5.165 -0.943 5.602 396 HA LYS 12 HA LYS 12 2.697 -2.145 6.258 397 HB2 LYS 12 HB2 LYS 12 5.457 -2.462 7.447 398 HB3 LYS 12 HB1 LYS 12 4.078 -3.461 7.913 399 HG2 LYS 12 HG2 LYS 12 3.791 -4.167 5.569 400 HG3 LYS 12 HG1 LYS 12 5.166 -3.167 5.097 401 HD2 LYS 12 HD2 LYS 12 6.638 -4.478 6.572 402 HD3 LYS 12 HD1 LYS 12 5.268 -5.475 7.061 403 HE2 LYS 12 HE2 LYS 12 4.959 -6.206 4.726 404 HE3 LYS 12 HE1 LYS 12 6.325 -5.205 4.231 405 HZ1 LYS 12 HZ1 LYS 12 6.916 -6.963 6.428 406 HZ2 LYS 12 HZ2 LYS 12 7.781 -6.691 4.991 407 HZ3 LYS 12 HZ3 LYS 12 6.483 -7.788 5.011 408 H LYS 13 HN LYS 13 4.807 0.074 8.014 409 HA LYS 13 HA LYS 13 3.492 -0.010 10.502 410 HB2 LYS 13 HB2 LYS 13 5.698 1.068 10.124 411 HB3 LYS 13 HB1 LYS 13 4.886 2.363 9.247 412 HG2 LYS 13 HG2 LYS 13 3.575 2.931 11.241 413 HG3 LYS 13 HG1 LYS 13 4.333 1.607 12.128 414 HD2 LYS 13 HD2 LYS 13 6.539 2.662 11.836 415 HD3 LYS 13 HD1 LYS 13 5.793 3.980 10.933 416 HE2 LYS 13 HE2 LYS 13 6.140 4.659 13.262 417 HE3 LYS 13 HE1 LYS 13 4.413 4.537 12.923 418 HZ1 LYS 13 HZ1 LYS 13 4.284 2.482 14.023 419 HZ2 LYS 13 HZ2 LYS 13 5.212 3.474 15.044 420 HZ3 LYS 13 HZ3 LYS 13 5.969 2.299 14.078 421 H LEU 14 HN LEU 14 2.845 1.894 7.580 422 HA LEU 14 HA LEU 14 0.924 3.659 8.654 423 HB2 LEU 14 HB2 LEU 14 1.250 2.491 5.882 424 HB3 LEU 14 HB1 LEU 14 0.111 3.772 6.256 425 HG LEU 14 HG LEU 14 3.081 3.988 6.843 426 HD11 LEU 14 HD11 LEU 14 3.497 4.925 4.766 427 HD12 LEU 14 HD12 LEU 14 1.834 5.467 4.543 428 HD13 LEU 14 HD13 LEU 14 2.250 3.779 4.293 429 HD21 LEU 14 HD21 LEU 14 2.356 6.498 6.662 430 HD22 LEU 14 HD22 LEU 14 1.959 5.616 8.130 431 HD23 LEU 14 HD23 LEU 14 0.724 5.875 6.894 432 H LEU 15 HN LEU 15 0.557 0.462 7.124 433 HA LEU 15 HA LEU 15 -2.291 0.401 7.402 434 HB2 LEU 15 HB2 LEU 15 -0.200 -1.663 6.774 435 HB3 LEU 15 HB1 LEU 15 -1.861 -2.159 7.100 436 HG LEU 15 HG LEU 15 -2.692 -0.717 5.314 437 HD11 LEU 15 HD11 LEU 15 -0.963 0.413 3.825 438 HD12 LEU 15 HD12 LEU 15 0.203 0.112 5.106 439 HD13 LEU 15 HD13 LEU 15 -1.185 1.145 5.411 440 HD21 LEU 15 HD21 LEU 15 -1.402 -1.754 3.359 441 HD22 LEU 15 HD22 LEU 15 -2.085 -2.888 4.529 442 HD23 LEU 15 HD23 LEU 15 -0.365 -2.502 4.576 443 H ASP 16 HN ASP 16 0.376 -0.682 9.420 444 HA ASP 16 HA ASP 16 -1.084 -2.208 11.278 445 HB2 ASP 16 HB2 ASP 16 1.474 -0.621 11.529 446 HB3 ASP 16 HB1 ASP 16 0.842 -1.631 12.827 447 H ASP 17 HN ASP 17 -0.428 1.258 11.097 448 HA ASP 17 HA ASP 17 -1.470 1.928 13.652 449 HB2 ASP 17 HB2 ASP 17 -1.060 3.539 11.135 450 HB3 ASP 17 HB1 ASP 17 -1.674 4.240 12.630 451 H SER 18 HN SER 18 -2.983 0.805 10.866 452 HA SER 18 HA SER 18 -5.377 2.253 10.803 453 HB2 SER 18 HB2 SER 18 -6.274 0.403 9.543 454 HB3 SER 18 HB1 SER 18 -4.590 0.616 9.084 455 HG SER 18 HG SER 18 -5.675 -1.274 10.893 456 H SER 19 HN SER 19 -4.211 -0.017 13.043 457 HA SER 19 HA SER 19 -6.796 -0.800 14.073 458 HB2 SER 19 HB2 SER 19 -4.001 -1.207 15.144 459 HB3 SER 19 HB1 SER 19 -5.453 -1.881 15.879 460 HG SER 19 HG SER 19 -4.027 -2.843 13.867 461 H SER 20 HN SER 20 -4.748 1.831 14.422 462 HA SER 20 HA SER 20 -5.508 2.543 17.126 463 HB2 SER 20 HB2 SER 20 -4.139 4.231 15.020 464 HB3 SER 20 HB1 SER 20 -4.240 4.581 16.742 465 HG SER 20 HG SER 20 -3.146 2.526 17.048 466 H2 ZBR 100 HA3 TBS 100 -1.627 1.315 -1.962 467 H4 ZBR 100 HC3 TBS 100 0.633 1.863 1.697 468 H6 ZBR 100 HB3 TBS 100 2.606 0.385 -1.871 469 H7 ZBR 100 HB11 TBS 100 0.885 1.167 -4.128 470 H7A ZBR 100 HB12 TBS 100 -0.621 0.290 -3.824 471 H8 ZBR 100 HA11 TBS 100 -2.110 3.124 0.306 472 H8A ZBR 100 HA12 TBS 100 -1.702 2.145 1.719 473 H9 ZBR 100 HC11 TBS 100 3.466 2.030 0.876 474 H9A ZBR 100 HC12 TBS 100 3.778 0.440 0.169 Start of MODEL 6 1 H1 LYS 1 HN LYS 1 -6.797 3.965 16.485 2 HA LYS 1 HA LYS 1 -8.857 4.617 14.525 3 HB2 LYS 1 HB2 LYS 1 -8.437 5.446 17.404 4 HB3 LYS 1 HB1 LYS 1 -9.785 5.997 16.409 5 HG2 LYS 1 HG2 LYS 1 -10.481 3.658 16.048 6 HG3 LYS 1 HG1 LYS 1 -9.135 3.103 17.043 7 HD2 LYS 1 HD2 LYS 1 -10.043 4.332 18.976 8 HD3 LYS 1 HD1 LYS 1 -11.380 4.912 17.982 9 HE2 LYS 1 HE2 LYS 1 -12.085 2.964 19.305 10 HE3 LYS 1 HE1 LYS 1 -12.090 2.572 17.585 11 HZ1 LYS 1 HZ1 LYS 1 -10.479 1.077 17.854 12 HZ2 LYS 1 HZ2 LYS 1 -10.814 1.165 19.518 13 HZ3 LYS 1 HZ3 LYS 1 -9.559 2.095 18.850 14 H ASN 2 HN ASN 2 -5.850 5.492 14.657 15 HA ASN 2 HA ASN 2 -5.870 8.277 14.931 16 HB2 ASN 2 HB2 ASN 2 -3.688 8.239 13.806 17 HB3 ASN 2 HB1 ASN 2 -3.796 6.966 15.022 18 HD21 ASN 2 HD21 ASN 2 -5.787 5.961 12.569 19 HD22 ASN 2 HD22 ASN 2 -4.680 5.035 11.679 20 HA PRO 3 HA PRO 3 -7.663 9.843 11.182 21 HB2 PRO 3 HB2 PRO 3 -5.223 11.555 10.857 22 HB3 PRO 3 HB1 PRO 3 -6.931 12.032 10.930 23 HG2 PRO 3 HG2 PRO 3 -5.313 12.450 12.991 24 HG3 PRO 3 HG1 PRO 3 -6.996 11.949 13.236 25 HD2 PRO 3 HD2 PRO 3 -4.485 10.334 13.463 26 HD3 PRO 3 HD1 PRO 3 -5.970 10.280 14.435 27 H GLU 4 HN GLU 4 -4.341 8.742 11.151 28 HA GLU 4 HA GLU 4 -3.855 8.758 8.377 29 HB2 GLU 4 HB2 GLU 4 -2.763 6.977 10.570 30 HB3 GLU 4 HB1 GLU 4 -2.145 7.002 8.919 31 HG2 GLU 4 HG2 GLU 4 -1.594 9.375 9.122 32 HG3 GLU 4 HG1 GLU 4 -2.289 9.421 10.741 33 H ALA 5 HN ALA 5 -5.953 6.859 10.276 34 HA ALA 5 HA ALA 5 -5.966 4.406 8.919 35 HB1 ALA 5 HB1 ALA 5 -7.175 4.863 11.051 36 HB2 ALA 5 HB2 ALA 5 -8.199 4.099 9.835 37 HB3 ALA 5 HB3 ALA 5 -8.341 5.829 10.147 38 H GLU 6 HN GLU 6 -7.294 7.524 8.070 39 HA GLU 6 HA GLU 6 -9.132 6.708 6.088 40 HB2 GLU 6 HB2 GLU 6 -7.522 9.250 6.412 41 HB3 GLU 6 HB1 GLU 6 -8.764 9.036 5.178 42 HG2 GLU 6 HG2 GLU 6 -10.447 8.607 6.897 43 HG3 GLU 6 HG1 GLU 6 -9.219 8.710 8.157 44 H GLU 7 HN GLU 7 -5.653 7.346 5.995 45 HA GLU 7 HA GLU 7 -5.328 7.235 3.194 46 HB2 GLU 7 HB2 GLU 7 -3.652 7.935 5.104 47 HB3 GLU 7 HB1 GLU 7 -3.191 6.233 5.066 48 HG2 GLU 7 HG2 GLU 7 -3.183 8.141 2.709 49 HG3 GLU 7 HG1 GLU 7 -1.761 7.518 3.545 50 H ILE 8 HN ILE 8 -5.302 4.758 5.707 51 HA ILE 8 HA ILE 8 -4.505 2.579 4.067 52 HB ILE 8 HB ILE 8 -6.021 2.791 6.665 53 HG12 ILE 8 HG12 ILE 8 -4.023 1.737 7.564 54 HG13 ILE 8 HG11 ILE 8 -3.402 1.436 5.942 55 HG21 ILE 8 HG21 ILE 8 -5.749 0.211 6.696 56 HG22 ILE 8 HG22 ILE 8 -5.613 0.344 4.944 57 HG23 ILE 8 HG23 ILE 8 -7.079 0.885 5.756 58 HD11 ILE 8 HD11 ILE 8 -3.025 3.745 5.541 59 HD12 ILE 8 HD12 ILE 8 -2.450 3.473 7.188 60 HD13 ILE 8 HD13 ILE 8 -4.022 4.219 6.914 61 H THR 9 HN THR 9 -7.676 3.945 4.829 62 HA THR 9 HA THR 9 -9.262 1.994 3.591 63 HB THR 9 HB THR 9 -9.763 4.970 3.874 64 HG1 THR 9 HG1 THR 9 -11.022 3.084 5.455 65 HG21 THR 9 HG21 THR 9 -11.263 4.029 2.211 66 HG22 THR 9 HG22 THR 9 -12.165 4.271 3.707 67 HG23 THR 9 HG23 THR 9 -11.619 2.655 3.258 68 H ARG 10 HN ARG 10 -7.705 4.902 2.304 69 HA ARG 10 HA ARG 10 -8.793 4.794 -0.298 70 HB2 ARG 10 HB2 ARG 10 -7.593 6.760 0.600 71 HB3 ARG 10 HB1 ARG 10 -6.087 5.841 0.567 72 HG2 ARG 10 HG2 ARG 10 -6.225 5.598 -1.846 73 HG3 ARG 10 HG1 ARG 10 -7.815 6.362 -1.869 74 HD2 ARG 10 HD2 ARG 10 -6.119 7.996 -2.508 75 HD3 ARG 10 HD1 ARG 10 -6.802 8.434 -0.945 76 HE ARG 10 HE ARG 10 -4.470 6.810 -0.621 77 HH11 ARG 10 HH11 ARG 10 -2.587 7.857 0.102 78 HH12 ARG 10 HH12 ARG 10 -2.455 9.579 -0.020 79 HH21 ARG 10 HH21 ARG 10 -5.590 9.987 -1.443 80 HH22 ARG 10 HH22 ARG 10 -4.154 10.785 -0.895 81 H CYS 11 HN CYS 11 -5.894 3.336 1.122 82 HA CYS 11 HA CYS 11 -4.882 2.206 -1.269 83 HB2 CYS 11 HB2 CYS 11 -4.445 1.809 1.648 84 HB3 CYS 11 HB1 CYS 11 -3.908 0.522 0.571 85 H LYS 12 HN LYS 12 -7.204 1.081 1.125 86 HA LYS 12 HA LYS 12 -7.401 -1.596 0.318 87 HB2 LYS 12 HB2 LYS 12 -8.423 -0.674 2.385 88 HB3 LYS 12 HB1 LYS 12 -9.604 0.182 1.394 89 HG2 LYS 12 HG2 LYS 12 -10.432 -1.941 0.493 90 HG3 LYS 12 HG1 LYS 12 -9.214 -2.825 1.413 91 HD2 LYS 12 HD2 LYS 12 -10.191 -1.996 3.517 92 HD3 LYS 12 HD1 LYS 12 -11.405 -1.099 2.602 93 HE2 LYS 12 HE2 LYS 12 -12.337 -3.235 3.382 94 HE3 LYS 12 HE1 LYS 12 -12.221 -3.225 1.622 95 HZ1 LYS 12 HZ1 LYS 12 -11.392 -5.292 2.642 96 HZ2 LYS 12 HZ2 LYS 12 -10.184 -4.399 3.436 97 HZ3 LYS 12 HZ3 LYS 12 -10.204 -4.486 1.739 98 H LYS 13 HN LYS 13 -9.144 1.294 -0.795 99 HA LYS 13 HA LYS 13 -10.837 -0.027 -2.641 100 HB2 LYS 13 HB2 LYS 13 -9.797 2.808 -2.531 101 HB3 LYS 13 HB1 LYS 13 -10.985 2.255 -3.713 102 HG2 LYS 13 HG2 LYS 13 -12.489 1.559 -1.891 103 HG3 LYS 13 HG1 LYS 13 -11.302 2.095 -0.701 104 HD2 LYS 13 HD2 LYS 13 -11.457 4.397 -1.594 105 HD3 LYS 13 HD1 LYS 13 -12.669 3.858 -2.757 106 HE2 LYS 13 HE2 LYS 13 -12.941 3.675 0.259 107 HE3 LYS 13 HE1 LYS 13 -13.718 4.887 -0.761 108 HZ1 LYS 13 HZ1 LYS 13 -14.439 2.148 -0.308 109 HZ2 LYS 13 HZ2 LYS 13 -14.360 2.539 -1.960 110 HZ3 LYS 13 HZ3 LYS 13 -15.371 3.425 -0.922 111 H LEU 14 HN LEU 14 -7.596 1.359 -2.931 112 HA LEU 14 HA LEU 14 -7.321 1.047 -5.725 113 HB2 LEU 14 HB2 LEU 14 -5.301 1.151 -3.484 114 HB3 LEU 14 HB1 LEU 14 -4.838 1.084 -5.184 115 HG LEU 14 HG LEU 14 -6.715 3.186 -4.062 116 HD11 LEU 14 HD11 LEU 14 -3.705 3.118 -4.217 117 HD12 LEU 14 HD12 LEU 14 -4.742 3.743 -2.937 118 HD13 LEU 14 HD13 LEU 14 -4.549 4.652 -4.431 119 HD21 LEU 14 HD21 LEU 14 -5.723 4.366 -6.199 120 HD22 LEU 14 HD22 LEU 14 -7.005 3.175 -6.396 121 HD23 LEU 14 HD23 LEU 14 -5.327 2.723 -6.702 122 H LEU 15 HN LEU 15 -6.584 -1.102 -3.028 123 HA LEU 15 HA LEU 15 -5.342 -3.138 -4.546 124 HB2 LEU 15 HB2 LEU 15 -6.822 -3.201 -1.910 125 HB3 LEU 15 HB1 LEU 15 -5.960 -4.590 -2.576 126 HG LEU 15 HG LEU 15 -4.671 -1.887 -2.112 127 HD11 LEU 15 HD11 LEU 15 -5.290 -2.684 0.055 128 HD12 LEU 15 HD12 LEU 15 -3.584 -3.080 -0.147 129 HD13 LEU 15 HD13 LEU 15 -4.808 -4.334 -0.342 130 HD21 LEU 15 HD21 LEU 15 -3.265 -2.979 -3.618 131 HD22 LEU 15 HD22 LEU 15 -3.696 -4.584 -3.030 132 HD23 LEU 15 HD23 LEU 15 -2.605 -3.561 -2.092 133 H ASP 16 HN ASP 16 -8.702 -2.567 -3.630 134 HA ASP 16 HA ASP 16 -9.768 -4.987 -4.620 135 HB2 ASP 16 HB2 ASP 16 -10.990 -2.257 -4.205 136 HB3 ASP 16 HB1 ASP 16 -11.923 -3.653 -4.742 137 H ASP 17 HN ASP 17 -9.106 -1.883 -6.138 138 HA ASP 17 HA ASP 17 -10.406 -2.389 -8.602 139 HB2 ASP 17 HB2 ASP 17 -8.153 -0.530 -7.838 140 HB3 ASP 17 HB1 ASP 17 -8.833 -0.589 -9.463 141 H SER 18 HN SER 18 -7.688 -3.811 -7.222 142 HA SER 18 HA SER 18 -5.962 -4.167 -9.379 143 HB2 SER 18 HB2 SER 18 -5.095 -6.091 -8.149 144 HB3 SER 18 HB1 SER 18 -5.432 -4.770 -7.032 145 HG SER 18 HG SER 18 -6.752 -7.200 -7.406 146 H SER 19 HN SER 19 -8.920 -5.757 -8.555 147 HA SER 19 HA SER 19 -8.615 -7.801 -10.607 148 HB2 SER 19 HB2 SER 19 -10.931 -7.130 -8.786 149 HB3 SER 19 HB1 SER 19 -10.922 -8.467 -9.932 150 HG SER 19 HG SER 19 -8.678 -8.414 -8.406 151 H SER 20 HN SER 20 -9.690 -4.634 -10.420 152 HA SER 20 HA SER 20 -11.642 -4.771 -12.561 153 HB2 SER 20 HB2 SER 20 -10.326 -2.336 -11.340 154 HB3 SER 20 HB1 SER 20 -11.755 -2.352 -12.371 155 HG SER 20 HG SER 20 -12.403 -2.298 -10.227 156 H1 LYS 1 HN LYS 1 -11.403 -3.874 -14.640 157 HA LYS 1 HA LYS 1 -8.698 -4.112 -15.711 158 HB2 LYS 1 HB2 LYS 1 -11.388 -3.727 -17.041 159 HB3 LYS 1 HB1 LYS 1 -9.861 -3.867 -17.913 160 HG2 LYS 1 HG2 LYS 1 -9.476 -6.082 -16.906 161 HG3 LYS 1 HG1 LYS 1 -10.996 -5.948 -16.021 162 HD2 LYS 1 HD2 LYS 1 -12.236 -5.816 -18.141 163 HD3 LYS 1 HD1 LYS 1 -10.722 -5.913 -19.041 164 HE2 LYS 1 HE2 LYS 1 -11.791 -8.123 -18.935 165 HE3 LYS 1 HE1 LYS 1 -10.276 -8.133 -18.031 166 HZ1 LYS 1 HZ1 LYS 1 -11.343 -8.506 -16.129 167 HZ2 LYS 1 HZ2 LYS 1 -12.698 -8.902 -17.075 168 HZ3 LYS 1 HZ3 LYS 1 -12.527 -7.333 -16.445 169 H ASN 2 HN ASN 2 -10.043 -1.765 -14.116 170 HA ASN 2 HA ASN 2 -10.040 0.439 -15.840 171 HB2 ASN 2 HB2 ASN 2 -9.973 1.820 -13.816 172 HB3 ASN 2 HB1 ASN 2 -11.115 0.489 -13.627 173 HD21 ASN 2 HD21 ASN 2 -8.160 -0.981 -13.513 174 HD22 ASN 2 HD22 ASN 2 -7.887 -0.932 -11.839 175 HA PRO 3 HA PRO 3 -5.769 1.412 -16.557 176 HB2 PRO 3 HB2 PRO 3 -6.370 4.209 -15.654 177 HB3 PRO 3 HB1 PRO 3 -5.663 3.646 -17.182 178 HG2 PRO 3 HG2 PRO 3 -8.172 4.496 -17.081 179 HG3 PRO 3 HG1 PRO 3 -7.717 3.112 -18.091 180 HD2 PRO 3 HD2 PRO 3 -9.129 3.149 -15.452 181 HD3 PRO 3 HD1 PRO 3 -9.381 2.106 -16.867 182 H GLU 4 HN GLU 4 -7.239 2.349 -13.522 183 HA GLU 4 HA GLU 4 -4.943 3.139 -12.097 184 HB2 GLU 4 HB2 GLU 4 -7.521 1.869 -11.142 185 HB3 GLU 4 HB1 GLU 4 -6.297 2.550 -10.071 186 HG2 GLU 4 HG2 GLU 4 -6.540 4.741 -11.139 187 HG3 GLU 4 HG1 GLU 4 -7.714 4.077 -12.274 188 H ALA 5 HN ALA 5 -5.921 0.086 -13.258 189 HA ALA 5 HA ALA 5 -4.885 -1.669 -11.332 190 HB1 ALA 5 HB1 ALA 5 -6.263 -2.357 -13.292 191 HB2 ALA 5 HB2 ALA 5 -4.791 -3.315 -13.122 192 HB3 ALA 5 HB3 ALA 5 -4.879 -2.041 -14.338 193 H GLU 6 HN GLU 6 -3.311 0.305 -13.746 194 HA GLU 6 HA GLU 6 -0.806 -0.997 -13.830 195 HB2 GLU 6 HB2 GLU 6 -1.583 1.896 -14.257 196 HB3 GLU 6 HB1 GLU 6 0.042 1.273 -14.544 197 HG2 GLU 6 HG2 GLU 6 -0.827 -0.328 -16.177 198 HG3 GLU 6 HG1 GLU 6 -2.475 0.206 -15.853 199 H GLU 7 HN GLU 7 -2.157 1.442 -11.654 200 HA GLU 7 HA GLU 7 0.221 2.056 -10.262 201 HB2 GLU 7 HB2 GLU 7 -2.159 3.190 -10.207 202 HB3 GLU 7 HB1 GLU 7 -2.457 2.066 -8.880 203 HG2 GLU 7 HG2 GLU 7 -0.187 4.071 -9.058 204 HG3 GLU 7 HG1 GLU 7 -1.590 4.181 -7.996 205 H ILE 8 HN ILE 8 -2.251 -0.420 -9.808 206 HA ILE 8 HA ILE 8 -1.285 -1.452 -7.342 207 HB ILE 8 HB ILE 8 -2.971 -2.594 -9.566 208 HG12 ILE 8 HG12 ILE 8 -4.711 -2.525 -7.868 209 HG13 ILE 8 HG11 ILE 8 -3.533 -2.126 -6.620 210 HG21 ILE 8 HG21 ILE 8 -3.323 -4.555 -7.914 211 HG22 ILE 8 HG22 ILE 8 -1.799 -4.045 -7.191 212 HG23 ILE 8 HG23 ILE 8 -1.845 -4.557 -8.875 213 HD11 ILE 8 HD11 ILE 8 -3.153 0.037 -7.518 214 HD12 ILE 8 HD12 ILE 8 -4.903 -0.177 -7.590 215 HD13 ILE 8 HD13 ILE 8 -3.928 -0.380 -9.043 216 H THR 9 HN THR 9 -0.520 -2.219 -10.706 217 HA THR 9 HA THR 9 1.114 -4.449 -10.249 218 HB THR 9 HB THR 9 1.311 -2.358 -12.433 219 HG1 THR 9 HG1 THR 9 0.249 -4.866 -12.882 220 HG21 THR 9 HG21 THR 9 3.358 -3.644 -12.346 221 HG22 THR 9 HG22 THR 9 2.392 -4.252 -13.690 222 HG23 THR 9 HG23 THR 9 2.456 -5.149 -12.173 223 H ARG 10 HN ARG 10 1.846 -0.988 -10.301 224 HA ARG 10 HA ARG 10 4.647 -1.185 -10.020 225 HB2 ARG 10 HB2 ARG 10 3.477 0.907 -10.631 226 HB3 ARG 10 HB1 ARG 10 2.805 0.992 -9.002 227 HG2 ARG 10 HG2 ARG 10 5.029 1.167 -8.037 228 HG3 ARG 10 HG1 ARG 10 5.773 0.926 -9.618 229 HD2 ARG 10 HD2 ARG 10 5.762 3.305 -9.086 230 HD3 ARG 10 HD1 ARG 10 4.661 2.998 -10.426 231 HE ARG 10 HE ARG 10 3.278 2.891 -7.923 232 HH11 ARG 10 HH11 ARG 10 1.918 4.641 -7.429 233 HH12 ARG 10 HH12 ARG 10 2.097 6.141 -8.276 234 HH21 ARG 10 HH21 ARG 10 4.718 5.020 -10.250 235 HH22 ARG 10 HH22 ARG 10 3.682 6.356 -9.873 236 H CYS 11 HN CYS 11 2.027 -1.054 -7.638 237 HA CYS 11 HA CYS 11 3.677 -0.972 -5.335 238 HB2 CYS 11 HB2 CYS 11 0.820 -1.595 -5.910 239 HB3 CYS 11 HB1 CYS 11 1.470 -2.122 -4.358 240 H LYS 12 HN LYS 12 2.402 -3.608 -7.285 241 HA LYS 12 HA LYS 12 2.988 -5.741 -5.563 242 HB2 LYS 12 HB2 LYS 12 1.629 -5.941 -7.632 243 HB3 LYS 12 HB1 LYS 12 3.093 -5.717 -8.589 244 HG2 LYS 12 HG2 LYS 12 4.080 -7.734 -7.599 245 HG3 LYS 12 HG1 LYS 12 2.655 -7.947 -6.582 246 HD2 LYS 12 HD2 LYS 12 1.249 -8.210 -8.581 247 HD3 LYS 12 HD1 LYS 12 2.659 -7.967 -9.613 248 HE2 LYS 12 HE2 LYS 12 2.191 -10.366 -9.366 249 HE3 LYS 12 HE1 LYS 12 3.728 -9.961 -8.603 250 HZ1 LYS 12 HZ1 LYS 12 2.300 -11.391 -7.220 251 HZ2 LYS 12 HZ2 LYS 12 1.138 -10.153 -7.166 252 HZ3 LYS 12 HZ3 LYS 12 2.670 -9.915 -6.472 253 H LYS 13 HN LYS 13 4.967 -4.146 -8.044 254 HA LYS 13 HA LYS 13 7.240 -5.813 -7.785 255 HB2 LYS 13 HB2 LYS 13 6.935 -2.953 -8.708 256 HB3 LYS 13 HB1 LYS 13 8.458 -3.840 -8.784 257 HG2 LYS 13 HG2 LYS 13 7.387 -5.572 -10.174 258 HG3 LYS 13 HG1 LYS 13 5.860 -4.691 -10.098 259 HD2 LYS 13 HD2 LYS 13 6.937 -2.746 -11.183 260 HD3 LYS 13 HD1 LYS 13 8.448 -3.650 -11.289 261 HE2 LYS 13 HE2 LYS 13 5.822 -4.476 -12.562 262 HE3 LYS 13 HE1 LYS 13 7.187 -3.755 -13.416 263 HZ1 LYS 13 HZ1 LYS 13 6.817 -6.455 -12.509 264 HZ2 LYS 13 HZ2 LYS 13 8.321 -5.803 -12.060 265 HZ3 LYS 13 HZ3 LYS 13 7.863 -5.845 -13.696 266 H LEU 14 HN LEU 14 6.246 -2.846 -6.137 267 HA LEU 14 HA LEU 14 8.626 -2.429 -4.674 268 HB2 LEU 14 HB2 LEU 14 5.756 -1.652 -4.145 269 HB3 LEU 14 HB1 LEU 14 7.094 -1.130 -3.121 270 HG LEU 14 HG LEU 14 7.023 -0.671 -6.119 271 HD11 LEU 14 HD11 LEU 14 5.907 0.969 -3.850 272 HD12 LEU 14 HD12 LEU 14 5.228 0.667 -5.448 273 HD13 LEU 14 HD13 LEU 14 6.572 1.787 -5.263 274 HD21 LEU 14 HD21 LEU 14 8.636 1.237 -5.260 275 HD22 LEU 14 HD22 LEU 14 9.255 -0.399 -5.455 276 HD23 LEU 14 HD23 LEU 14 8.815 0.190 -3.852 277 H LEU 15 HN LEU 15 5.707 -4.276 -3.957 278 HA LEU 15 HA LEU 15 6.387 -4.972 -1.303 279 HB2 LEU 15 HB2 LEU 15 4.630 -6.325 -3.358 280 HB3 LEU 15 HB1 LEU 15 4.752 -6.857 -1.680 281 HG LEU 15 HG LEU 15 4.013 -4.030 -2.485 282 HD11 LEU 15 HD11 LEU 15 2.248 -5.388 -3.329 283 HD12 LEU 15 HD12 LEU 15 1.678 -4.781 -1.774 284 HD13 LEU 15 HD13 LEU 15 2.276 -6.434 -1.908 285 HD21 LEU 15 HD21 LEU 15 4.682 -3.886 -0.253 286 HD22 LEU 15 HD22 LEU 15 4.179 -5.534 0.122 287 HD23 LEU 15 HD23 LEU 15 2.972 -4.257 -0.053 288 H ASP 16 HN ASP 16 7.028 -6.516 -4.410 289 HA ASP 16 HA ASP 16 8.182 -8.892 -3.411 290 HB2 ASP 16 HB2 ASP 16 8.539 -7.406 -6.016 291 HB3 ASP 16 HB1 ASP 16 9.310 -8.956 -5.683 292 H ASP 17 HN ASP 17 9.517 -5.715 -4.118 293 HA ASP 17 HA ASP 17 12.251 -6.383 -3.809 294 HB2 ASP 17 HB2 ASP 17 10.757 -3.771 -3.538 295 HB3 ASP 17 HB1 ASP 17 12.508 -3.895 -3.379 296 H SER 18 HN SER 18 9.743 -6.312 -1.571 297 HA SER 18 HA SER 18 10.925 -5.255 0.718 298 HB2 SER 18 HB2 SER 18 9.300 -6.581 1.967 299 HB3 SER 18 HB1 SER 18 8.535 -5.902 0.530 300 HG SER 18 HG SER 18 9.217 -8.530 1.143 301 H SER 19 HN SER 19 11.319 -8.323 -0.825 302 HA SER 19 HA SER 19 12.869 -9.446 1.368 303 HB2 SER 19 HB2 SER 19 12.291 -10.501 -1.402 304 HB3 SER 19 HB1 SER 19 13.186 -11.378 -0.166 305 HG SER 19 HG SER 19 10.836 -10.359 0.759 306 H SER 20 HN SER 20 13.430 -7.474 -1.277 307 HA SER 20 HA SER 20 16.178 -8.269 -1.764 308 HB2 SER 20 HB2 SER 20 14.755 -5.765 -2.685 309 HB3 SER 20 HB1 SER 20 16.258 -6.426 -3.322 310 HG SER 20 HG SER 20 14.630 -7.130 -4.644 311 H1 LYS 1 HN LYS 1 18.029 -7.026 -1.290 312 HA LYS 1 HA LYS 1 17.833 -5.534 1.211 313 HB2 LYS 1 HB2 LYS 1 20.196 -6.453 -0.437 314 HB3 LYS 1 HB1 LYS 1 20.338 -5.543 1.067 315 HG2 LYS 1 HG2 LYS 1 19.101 -7.312 2.260 316 HG3 LYS 1 HG1 LYS 1 18.958 -8.226 0.758 317 HD2 LYS 1 HD2 LYS 1 21.412 -8.382 0.608 318 HD3 LYS 1 HD1 LYS 1 21.566 -7.447 2.095 319 HE2 LYS 1 HE2 LYS 1 21.770 -9.848 2.577 320 HE3 LYS 1 HE1 LYS 1 20.305 -9.197 3.315 321 HZ1 LYS 1 HZ1 LYS 1 19.027 -10.475 2.041 322 HZ2 LYS 1 HZ2 LYS 1 20.434 -11.343 1.647 323 HZ3 LYS 1 HZ3 LYS 1 19.888 -10.097 0.630 324 H ASN 2 HN ASN 2 17.141 -4.667 -1.728 325 HA ASN 2 HA ASN 2 18.857 -2.545 -2.334 326 HB2 ASN 2 HB2 ASN 2 17.094 -1.761 -3.850 327 HB3 ASN 2 HB1 ASN 2 17.314 -3.505 -3.988 328 HD21 ASN 2 HD21 ASN 2 15.859 -3.095 -1.045 329 HD22 ASN 2 HD22 ASN 2 14.236 -3.239 -1.516 330 HA PRO 3 HA PRO 3 17.782 0.733 0.462 331 HB2 PRO 3 HB2 PRO 3 17.447 2.512 -1.929 332 HB3 PRO 3 HB1 PRO 3 18.487 2.723 -0.506 333 HG2 PRO 3 HG2 PRO 3 19.512 2.014 -2.849 334 HG3 PRO 3 HG1 PRO 3 20.130 1.329 -1.334 335 HD2 PRO 3 HD2 PRO 3 18.342 0.082 -3.386 336 HD3 PRO 3 HD1 PRO 3 19.644 -0.638 -2.416 337 H GLU 4 HN GLU 4 15.741 0.112 -2.311 338 HA GLU 4 HA GLU 4 13.545 1.756 -1.669 339 HB2 GLU 4 HB2 GLU 4 13.675 -0.871 -3.171 340 HB3 GLU 4 HB1 GLU 4 12.244 0.158 -3.095 341 HG2 GLU 4 HG2 GLU 4 13.492 2.011 -4.106 342 HG3 GLU 4 HG1 GLU 4 14.955 1.028 -4.137 343 H ALA 5 HN ALA 5 14.764 -1.050 -0.165 344 HA ALA 5 HA ALA 5 12.450 -2.274 0.834 345 HB1 ALA 5 HB1 ALA 5 14.750 -3.218 1.009 346 HB2 ALA 5 HB2 ALA 5 13.891 -3.223 2.550 347 HB3 ALA 5 HB3 ALA 5 15.124 -2.003 2.231 348 H GLU 6 HN GLU 6 14.103 0.655 1.777 349 HA GLU 6 HA GLU 6 13.006 0.984 4.359 350 HB2 GLU 6 HB2 GLU 6 13.944 2.992 2.299 351 HB3 GLU 6 HB1 GLU 6 13.458 3.435 3.936 352 HG2 GLU 6 HG2 GLU 6 15.181 1.989 4.880 353 HG3 GLU 6 HG1 GLU 6 15.627 1.425 3.271 354 H GLU 7 HN GLU 7 11.811 1.820 1.135 355 HA GLU 7 HA GLU 7 9.587 3.355 1.951 356 HB2 GLU 7 HB2 GLU 7 10.642 2.967 -0.434 357 HB3 GLU 7 HB1 GLU 7 9.487 1.635 -0.522 358 HG2 GLU 7 HG2 GLU 7 8.833 4.546 0.027 359 HG3 GLU 7 HG1 GLU 7 8.481 3.662 -1.457 360 H ILE 8 HN ILE 8 10.043 -0.104 1.418 361 HA ILE 8 HA ILE 8 7.329 -0.882 1.743 362 HB ILE 8 HB ILE 8 9.965 -2.313 2.055 363 HG12 ILE 8 HG12 ILE 8 9.183 -3.533 0.101 364 HG13 ILE 8 HG11 ILE 8 7.585 -2.801 0.233 365 HG21 ILE 8 HG21 ILE 8 8.484 -4.418 2.288 366 HG22 ILE 8 HG22 ILE 8 7.212 -3.311 2.796 367 HG23 ILE 8 HG23 ILE 8 8.703 -3.423 3.726 368 HD11 ILE 8 HD11 ILE 8 8.405 -0.652 -0.372 369 HD12 ILE 8 HD12 ILE 8 9.177 -1.773 -1.497 370 HD13 ILE 8 HD13 ILE 8 10.078 -1.144 -0.120 371 H THR 9 HN THR 9 9.972 -0.449 4.050 372 HA THR 9 HA THR 9 8.690 -1.460 6.326 373 HB THR 9 HB THR 9 10.727 0.773 6.120 374 HG1 THR 9 HG1 THR 9 11.453 -1.722 6.998 375 HG21 THR 9 HG21 THR 9 9.681 0.835 8.295 376 HG22 THR 9 HG22 THR 9 11.252 0.056 8.479 377 HG23 THR 9 HG23 THR 9 9.782 -0.918 8.447 378 H ARG 10 HN ARG 10 8.683 1.773 4.889 379 HA ARG 10 HA ARG 10 7.210 3.083 6.908 380 HB2 ARG 10 HB2 ARG 10 8.419 4.271 5.105 381 HB3 ARG 10 HB1 ARG 10 7.249 3.659 3.936 382 HG2 ARG 10 HG2 ARG 10 5.437 4.829 5.057 383 HG3 ARG 10 HG1 ARG 10 6.522 5.342 6.350 384 HD2 ARG 10 HD2 ARG 10 6.220 7.173 4.763 385 HD3 ARG 10 HD1 ARG 10 7.880 6.588 4.686 386 HE ARG 10 HE ARG 10 6.233 5.253 2.764 387 HH11 ARG 10 HH11 ARG 10 6.527 5.834 0.588 388 HH12 ARG 10 HH12 ARG 10 7.326 7.318 0.190 389 HH21 ARG 10 HH21 ARG 10 7.857 8.227 3.494 390 HH22 ARG 10 HH22 ARG 10 8.078 8.673 1.835 391 H CYS 11 HN CYS 11 6.203 1.309 4.010 392 HA CYS 11 HA CYS 11 3.427 1.831 4.246 393 HB2 CYS 11 HB2 CYS 11 5.133 -0.120 2.777 394 HB3 CYS 11 HB1 CYS 11 3.427 -0.523 2.957 395 H LYS 12 HN LYS 12 5.533 -0.641 5.610 396 HA LYS 12 HA LYS 12 3.572 -2.386 6.594 397 HB2 LYS 12 HB2 LYS 12 6.000 -2.896 6.540 398 HB3 LYS 12 HB1 LYS 12 6.255 -1.722 7.831 399 HG2 LYS 12 HG2 LYS 12 4.800 -3.005 9.327 400 HG3 LYS 12 HG1 LYS 12 4.460 -4.158 8.036 401 HD2 LYS 12 HD2 LYS 12 6.843 -4.766 7.939 402 HD3 LYS 12 HD1 LYS 12 7.198 -3.600 9.215 403 HE2 LYS 12 HE2 LYS 12 6.993 -5.850 10.170 404 HE3 LYS 12 HE1 LYS 12 5.671 -4.830 10.738 405 HZ1 LYS 12 HZ1 LYS 12 4.927 -7.036 10.004 406 HZ2 LYS 12 HZ2 LYS 12 5.498 -6.702 8.439 407 HZ3 LYS 12 HZ3 LYS 12 4.226 -5.787 9.096 408 H LYS 13 HN LYS 13 5.082 0.473 8.066 409 HA LYS 13 HA LYS 13 3.746 0.311 10.556 410 HB2 LYS 13 HB2 LYS 13 4.935 2.647 9.054 411 HB3 LYS 13 HB1 LYS 13 4.277 2.779 10.685 412 HG2 LYS 13 HG2 LYS 13 5.847 1.047 11.467 413 HG3 LYS 13 HG1 LYS 13 6.505 0.904 9.836 414 HD2 LYS 13 HD2 LYS 13 7.177 3.285 9.907 415 HD3 LYS 13 HD1 LYS 13 6.551 3.405 11.552 416 HE2 LYS 13 HE2 LYS 13 8.752 1.519 10.656 417 HE3 LYS 13 HE1 LYS 13 9.001 3.028 11.535 418 HZ1 LYS 13 HZ1 LYS 13 8.107 0.470 12.499 419 HZ2 LYS 13 HZ2 LYS 13 7.138 1.763 13.025 420 HZ3 LYS 13 HZ3 LYS 13 8.806 1.763 13.345 421 H LEU 14 HN LEU 14 2.916 1.877 7.496 422 HA LEU 14 HA LEU 14 0.614 3.243 8.399 423 HB2 LEU 14 HB2 LEU 14 1.426 2.206 5.681 424 HB3 LEU 14 HB1 LEU 14 -0.030 3.166 5.944 425 HG LEU 14 HG LEU 14 2.729 4.079 6.813 426 HD11 LEU 14 HD11 LEU 14 1.326 4.334 4.161 427 HD12 LEU 14 HD12 LEU 14 3.033 4.061 4.502 428 HD13 LEU 14 HD13 LEU 14 2.341 5.663 4.724 429 HD21 LEU 14 HD21 LEU 14 1.411 6.350 6.516 430 HD22 LEU 14 HD22 LEU 14 1.181 5.400 7.980 431 HD23 LEU 14 HD23 LEU 14 -0.015 5.325 6.684 432 H LEU 15 HN LEU 15 1.076 0.003 7.081 433 HA LEU 15 HA LEU 15 -1.658 -0.699 6.933 434 HB2 LEU 15 HB2 LEU 15 0.840 -2.368 7.254 435 HB3 LEU 15 HB1 LEU 15 -0.764 -3.059 6.999 436 HG LEU 15 HG LEU 15 0.492 -1.017 5.144 437 HD11 LEU 15 HD11 LEU 15 1.895 -2.948 5.012 438 HD12 LEU 15 HD12 LEU 15 0.806 -3.035 3.628 439 HD13 LEU 15 HD13 LEU 15 0.508 -4.039 5.046 440 HD21 LEU 15 HD21 LEU 15 -1.796 -0.957 4.679 441 HD22 LEU 15 HD22 LEU 15 -2.044 -2.646 5.123 442 HD23 LEU 15 HD23 LEU 15 -1.277 -2.238 3.587 443 H ASP 16 HN ASP 16 0.745 -1.017 9.498 444 HA ASP 16 HA ASP 16 -0.837 -2.510 11.299 445 HB2 ASP 16 HB2 ASP 16 1.467 -0.605 11.726 446 HB3 ASP 16 HB1 ASP 16 0.718 -1.515 13.037 447 H ASP 17 HN ASP 17 -0.520 0.948 10.716 448 HA ASP 17 HA ASP 17 -2.019 1.840 12.944 449 HB2 ASP 17 HB2 ASP 17 -1.430 3.097 10.261 450 HB3 ASP 17 HB1 ASP 17 -2.330 3.925 11.531 451 H SER 18 HN SER 18 -2.959 0.112 10.210 452 HA SER 18 HA SER 18 -5.449 1.185 9.574 453 HB2 SER 18 HB2 SER 18 -5.978 -1.025 8.670 454 HB3 SER 18 HB1 SER 18 -4.313 -0.598 8.280 455 HG SER 18 HG SER 18 -5.322 -2.489 10.066 456 H SER 19 HN SER 19 -4.452 -0.825 12.204 457 HA SER 19 HA SER 19 -7.173 -1.317 13.115 458 HB2 SER 19 HB2 SER 19 -4.505 -1.964 14.375 459 HB3 SER 19 HB1 SER 19 -6.064 -2.426 15.048 460 HG SER 19 HG SER 19 -5.887 -3.068 12.427 461 H SER 20 HN SER 20 -4.878 1.103 13.413 462 HA SER 20 HA SER 20 -5.669 2.050 16.039 463 HB2 SER 20 HB2 SER 20 -4.048 3.488 13.931 464 HB3 SER 20 HB1 SER 20 -4.167 3.900 15.639 465 HG SER 20 HG SER 20 -2.335 2.694 15.407 466 H2 ZBR 100 HA3 TBS 100 -1.667 0.900 -1.590 467 H4 ZBR 100 HC3 TBS 100 1.114 1.126 1.720 468 H6 ZBR 100 HB3 TBS 100 2.472 -0.236 -2.167 469 H7 ZBR 100 HB11 TBS 100 -0.782 0.659 -3.787 470 H7A ZBR 100 HB12 TBS 100 -0.334 -1.026 -3.538 471 H8 ZBR 100 HA11 TBS 100 -1.001 2.182 1.866 472 H8A ZBR 100 HA12 TBS 100 -1.923 0.706 1.585 473 H9 ZBR 100 HC11 TBS 100 4.046 0.347 -0.482 474 H9A ZBR 100 HC12 TBS 100 3.443 -0.789 0.724 Start of MODEL 7 1 H1 LYS 1 HN LYS 1 -6.551 4.252 16.558 2 HA LYS 1 HA LYS 1 -8.708 4.666 14.619 3 HB2 LYS 1 HB2 LYS 1 -8.345 5.597 17.461 4 HB3 LYS 1 HB1 LYS 1 -9.767 5.936 16.476 5 HG2 LYS 1 HG2 LYS 1 -10.103 3.482 16.172 6 HG3 LYS 1 HG1 LYS 1 -8.745 3.190 17.258 7 HD2 LYS 1 HD2 LYS 1 -11.154 4.835 18.063 8 HD3 LYS 1 HD1 LYS 1 -11.059 3.096 18.337 9 HE2 LYS 1 HE2 LYS 1 -8.858 3.537 19.556 10 HE3 LYS 1 HE1 LYS 1 -9.263 5.249 19.481 11 HZ1 LYS 1 HZ1 LYS 1 -10.479 4.959 21.270 12 HZ2 LYS 1 HZ2 LYS 1 -10.233 3.279 21.242 13 HZ3 LYS 1 HZ3 LYS 1 -11.526 3.965 20.379 14 H ASN 2 HN ASN 2 -5.797 5.828 14.703 15 HA ASN 2 HA ASN 2 -6.005 8.578 14.976 16 HB2 ASN 2 HB2 ASN 2 -3.974 8.627 13.423 17 HB3 ASN 2 HB1 ASN 2 -3.818 7.686 14.906 18 HD21 ASN 2 HD21 ASN 2 -5.328 6.962 11.696 19 HD22 ASN 2 HD22 ASN 2 -4.473 5.514 11.479 20 HA PRO 3 HA PRO 3 -8.198 10.091 11.428 21 HB2 PRO 3 HB2 PRO 3 -5.865 11.912 10.917 22 HB3 PRO 3 HB1 PRO 3 -7.582 12.313 11.126 23 HG2 PRO 3 HG2 PRO 3 -5.827 12.788 13.060 24 HG3 PRO 3 HG1 PRO 3 -7.463 12.210 13.430 25 HD2 PRO 3 HD2 PRO 3 -4.875 10.711 13.465 26 HD3 PRO 3 HD1 PRO 3 -6.293 10.575 14.525 27 H GLU 4 HN GLU 4 -4.868 9.098 11.107 28 HA GLU 4 HA GLU 4 -4.607 9.151 8.299 29 HB2 GLU 4 HB2 GLU 4 -3.285 7.407 10.386 30 HB3 GLU 4 HB1 GLU 4 -2.824 7.419 8.684 31 HG2 GLU 4 HG2 GLU 4 -2.308 9.805 8.809 32 HG3 GLU 4 HG1 GLU 4 -2.843 9.854 10.488 33 H ALA 5 HN ALA 5 -6.600 7.282 10.275 34 HA ALA 5 HA ALA 5 -6.635 4.780 9.032 35 HB1 ALA 5 HB1 ALA 5 -8.765 4.454 10.047 36 HB2 ALA 5 HB2 ALA 5 -9.089 6.187 10.088 37 HB3 ALA 5 HB3 ALA 5 -7.862 5.496 11.148 38 H GLU 6 HN GLU 6 -7.943 7.862 8.022 39 HA GLU 6 HA GLU 6 -9.792 6.958 6.084 40 HB2 GLU 6 HB2 GLU 6 -8.158 9.493 6.278 41 HB3 GLU 6 HB1 GLU 6 -9.396 9.229 5.049 42 HG2 GLU 6 HG2 GLU 6 -11.087 8.894 6.788 43 HG3 GLU 6 HG1 GLU 6 -9.860 9.075 8.041 44 H GLU 7 HN GLU 7 -6.319 7.638 5.915 45 HA GLU 7 HA GLU 7 -6.041 7.241 3.117 46 HB2 GLU 7 HB2 GLU 7 -4.049 7.012 5.385 47 HB3 GLU 7 HB1 GLU 7 -3.610 6.903 3.680 48 HG2 GLU 7 HG2 GLU 7 -5.068 9.257 4.912 49 HG3 GLU 7 HG1 GLU 7 -3.326 9.206 4.641 50 H ILE 8 HN ILE 8 -5.925 5.091 5.900 51 HA ILE 8 HA ILE 8 -4.916 2.775 4.577 52 HB ILE 8 HB ILE 8 -6.873 2.863 6.897 53 HG12 ILE 8 HG12 ILE 8 -5.008 4.326 7.421 54 HG13 ILE 8 HG11 ILE 8 -4.782 2.818 8.301 55 HG21 ILE 8 HG21 ILE 8 -6.446 0.640 5.839 56 HG22 ILE 8 HG22 ILE 8 -5.831 0.729 7.488 57 HG23 ILE 8 HG23 ILE 8 -4.721 0.869 6.126 58 HD11 ILE 8 HD11 ILE 8 -2.662 3.264 7.384 59 HD12 ILE 8 HD12 ILE 8 -3.334 3.807 5.852 60 HD13 ILE 8 HD13 ILE 8 -3.349 2.091 6.259 61 H THR 9 HN THR 9 -8.216 3.976 5.063 62 HA THR 9 HA THR 9 -9.564 1.780 3.913 63 HB THR 9 HB THR 9 -10.354 4.703 3.988 64 HG1 THR 9 HG1 THR 9 -9.985 3.110 5.928 65 HG21 THR 9 HG21 THR 9 -11.694 3.608 2.337 66 HG22 THR 9 HG22 THR 9 -12.678 3.698 3.797 67 HG23 THR 9 HG23 THR 9 -11.896 2.181 3.351 68 H ARG 10 HN ARG 10 -8.233 4.749 2.503 69 HA ARG 10 HA ARG 10 -9.194 4.376 -0.127 70 HB2 ARG 10 HB2 ARG 10 -8.226 6.504 0.725 71 HB3 ARG 10 HB1 ARG 10 -6.634 5.743 0.736 72 HG2 ARG 10 HG2 ARG 10 -6.766 5.356 -1.678 73 HG3 ARG 10 HG1 ARG 10 -8.395 6.034 -1.716 74 HD2 ARG 10 HD2 ARG 10 -6.877 7.770 -2.417 75 HD3 ARG 10 HD1 ARG 10 -7.443 8.175 -0.801 76 HE ARG 10 HE ARG 10 -5.289 7.732 0.033 77 HH11 ARG 10 HH11 ARG 10 -3.056 7.495 -0.292 78 HH12 ARG 10 HH12 ARG 10 -2.462 7.058 -1.859 79 HH21 ARG 10 HH21 ARG 10 -5.607 6.914 -3.305 80 HH22 ARG 10 HH22 ARG 10 -3.906 6.729 -3.563 81 H CYS 11 HN CYS 11 -6.210 3.328 1.482 82 HA CYS 11 HA CYS 11 -4.883 2.244 -0.732 83 HB2 CYS 11 HB2 CYS 11 -3.951 2.557 1.589 84 HB3 CYS 11 HB1 CYS 11 -4.838 1.112 2.069 85 H LYS 12 HN LYS 12 -7.322 0.848 1.413 86 HA LYS 12 HA LYS 12 -7.280 -1.780 0.378 87 HB2 LYS 12 HB2 LYS 12 -8.383 -1.116 2.487 88 HB3 LYS 12 HB1 LYS 12 -9.629 -0.283 1.560 89 HG2 LYS 12 HG2 LYS 12 -10.168 -2.437 0.410 90 HG3 LYS 12 HG1 LYS 12 -8.982 -3.245 1.432 91 HD2 LYS 12 HD2 LYS 12 -11.278 -1.649 2.573 92 HD3 LYS 12 HD1 LYS 12 -11.421 -3.368 2.206 93 HE2 LYS 12 HE2 LYS 12 -9.377 -3.738 3.671 94 HE3 LYS 12 HE1 LYS 12 -9.524 -2.056 4.172 95 HZ1 LYS 12 HZ1 LYS 12 -10.867 -4.224 5.203 96 HZ2 LYS 12 HZ2 LYS 12 -12.027 -3.338 4.334 97 HZ3 LYS 12 HZ3 LYS 12 -11.121 -2.587 5.561 98 H LYS 13 HN LYS 13 -9.152 1.101 -0.521 99 HA LYS 13 HA LYS 13 -10.792 -0.125 -2.459 100 HB2 LYS 13 HB2 LYS 13 -9.809 2.713 -2.149 101 HB3 LYS 13 HB1 LYS 13 -10.948 2.231 -3.408 102 HG2 LYS 13 HG2 LYS 13 -12.487 1.369 -1.670 103 HG3 LYS 13 HG1 LYS 13 -11.351 1.880 -0.420 104 HD2 LYS 13 HD2 LYS 13 -11.566 4.217 -1.160 105 HD3 LYS 13 HD1 LYS 13 -12.678 3.719 -2.437 106 HE2 LYS 13 HE2 LYS 13 -14.251 2.864 -0.743 107 HE3 LYS 13 HE1 LYS 13 -13.143 3.350 0.537 108 HZ1 LYS 13 HZ1 LYS 13 -13.895 5.386 -1.407 109 HZ2 LYS 13 HZ2 LYS 13 -13.624 5.526 0.264 110 HZ3 LYS 13 HZ3 LYS 13 -15.094 4.900 -0.311 111 H LEU 14 HN LEU 14 -7.584 1.357 -2.686 112 HA LEU 14 HA LEU 14 -7.328 1.206 -5.498 113 HB2 LEU 14 HB2 LEU 14 -5.243 1.150 -3.302 114 HB3 LEU 14 HB1 LEU 14 -4.873 1.335 -5.015 115 HG LEU 14 HG LEU 14 -6.708 3.182 -3.463 116 HD11 LEU 14 HD11 LEU 14 -3.747 3.275 -4.015 117 HD12 LEU 14 HD12 LEU 14 -4.621 3.676 -2.537 118 HD13 LEU 14 HD13 LEU 14 -4.664 4.775 -3.909 119 HD21 LEU 14 HD21 LEU 14 -7.310 3.449 -5.705 120 HD22 LEU 14 HD22 LEU 14 -5.686 3.093 -6.295 121 HD23 LEU 14 HD23 LEU 14 -6.034 4.653 -5.543 122 H LEU 15 HN LEU 15 -6.456 -1.052 -2.916 123 HA LEU 15 HA LEU 15 -5.248 -2.996 -4.591 124 HB2 LEU 15 HB2 LEU 15 -6.547 -3.219 -1.869 125 HB3 LEU 15 HB1 LEU 15 -5.672 -4.535 -2.651 126 HG LEU 15 HG LEU 15 -4.469 -1.798 -2.153 127 HD11 LEU 15 HD11 LEU 15 -4.939 -2.752 0.010 128 HD12 LEU 15 HD12 LEU 15 -3.218 -2.979 -0.308 129 HD13 LEU 15 HD13 LEU 15 -4.335 -4.330 -0.502 130 HD21 LEU 15 HD21 LEU 15 -3.457 -4.422 -3.246 131 HD22 LEU 15 HD22 LEU 15 -2.344 -3.388 -2.348 132 HD23 LEU 15 HD23 LEU 15 -3.131 -2.780 -3.799 133 H ASP 16 HN ASP 16 -8.552 -2.517 -3.474 134 HA ASP 16 HA ASP 16 -9.640 -4.933 -4.442 135 HB2 ASP 16 HB2 ASP 16 -10.863 -2.224 -3.912 136 HB3 ASP 16 HB1 ASP 16 -11.814 -3.610 -4.441 137 H ASP 17 HN ASP 17 -9.013 -1.841 -5.972 138 HA ASP 17 HA ASP 17 -10.480 -2.266 -8.349 139 HB2 ASP 17 HB2 ASP 17 -8.080 -0.535 -7.740 140 HB3 ASP 17 HB1 ASP 17 -8.901 -0.533 -9.299 141 H SER 18 HN SER 18 -7.778 -3.858 -7.152 142 HA SER 18 HA SER 18 -6.189 -4.267 -9.404 143 HB2 SER 18 HB2 SER 18 -5.359 -6.250 -8.256 144 HB3 SER 18 HB1 SER 18 -5.580 -4.951 -7.088 145 HG SER 18 HG SER 18 -6.504 -7.225 -6.728 146 H SER 19 HN SER 19 -9.258 -5.557 -8.564 147 HA SER 19 HA SER 19 -9.153 -7.674 -10.564 148 HB2 SER 19 HB2 SER 19 -11.372 -8.263 -9.820 149 HB3 SER 19 HB1 SER 19 -10.372 -7.972 -8.400 150 HG SER 19 HG SER 19 -12.299 -6.863 -8.160 151 H SER 20 HN SER 20 -9.948 -4.407 -10.430 152 HA SER 20 HA SER 20 -11.877 -4.419 -12.595 153 HB2 SER 20 HB2 SER 20 -12.156 -2.669 -11.009 154 HB3 SER 20 HB1 SER 20 -10.462 -2.210 -11.115 155 HG SER 20 HG SER 20 -10.810 -1.350 -13.089 156 H1 LYS 1 HN LYS 1 -11.535 -3.552 -14.677 157 HA LYS 1 HA LYS 1 -8.812 -3.966 -15.678 158 HB2 LYS 1 HB2 LYS 1 -11.435 -3.538 -17.094 159 HB3 LYS 1 HB1 LYS 1 -9.896 -3.810 -17.909 160 HG2 LYS 1 HG2 LYS 1 -9.661 -5.972 -16.694 161 HG3 LYS 1 HG1 LYS 1 -11.251 -5.715 -15.977 162 HD2 LYS 1 HD2 LYS 1 -10.794 -5.747 -18.967 163 HD3 LYS 1 HD1 LYS 1 -11.209 -7.198 -18.056 164 HE2 LYS 1 HE2 LYS 1 -13.233 -5.910 -17.178 165 HE3 LYS 1 HE1 LYS 1 -12.863 -4.681 -18.383 166 HZ1 LYS 1 HZ1 LYS 1 -13.971 -5.890 -19.824 167 HZ2 LYS 1 HZ2 LYS 1 -14.146 -7.170 -18.722 168 HZ3 LYS 1 HZ3 LYS 1 -12.768 -7.081 -19.712 169 H ASN 2 HN ASN 2 -10.096 -1.501 -14.224 170 HA ASN 2 HA ASN 2 -10.043 0.631 -15.991 171 HB2 ASN 2 HB2 ASN 2 -9.543 2.019 -13.900 172 HB3 ASN 2 HB1 ASN 2 -11.009 1.041 -13.875 173 HD21 ASN 2 HD21 ASN 2 -7.528 0.243 -13.278 174 HD22 ASN 2 HD22 ASN 2 -7.823 -0.481 -11.772 175 HA PRO 3 HA PRO 3 -5.798 1.404 -17.007 176 HB2 PRO 3 HB2 PRO 3 -6.223 4.233 -16.094 177 HB3 PRO 3 HB1 PRO 3 -5.633 3.631 -17.657 178 HG2 PRO 3 HG2 PRO 3 -8.098 4.583 -17.405 179 HG3 PRO 3 HG1 PRO 3 -7.759 3.184 -18.439 180 HD2 PRO 3 HD2 PRO 3 -9.035 3.272 -15.734 181 HD3 PRO 3 HD1 PRO 3 -9.365 2.220 -17.126 182 H GLU 4 HN GLU 4 -7.030 2.366 -13.890 183 HA GLU 4 HA GLU 4 -4.621 3.080 -12.609 184 HB2 GLU 4 HB2 GLU 4 -7.186 1.916 -11.509 185 HB3 GLU 4 HB1 GLU 4 -5.860 2.492 -10.501 186 HG2 GLU 4 HG2 GLU 4 -6.038 4.722 -11.500 187 HG3 GLU 4 HG1 GLU 4 -7.321 4.159 -12.569 188 H ALA 5 HN ALA 5 -5.647 0.113 -13.837 189 HA ALA 5 HA ALA 5 -4.683 -1.756 -11.995 190 HB1 ALA 5 HB1 ALA 5 -4.667 -3.321 -13.796 191 HB2 ALA 5 HB2 ALA 5 -4.477 -2.042 -14.995 192 HB3 ALA 5 HB3 ALA 5 -5.999 -2.211 -14.122 193 H GLU 6 HN GLU 6 -3.004 0.330 -14.247 194 HA GLU 6 HA GLU 6 -0.516 -1.008 -14.343 195 HB2 GLU 6 HB2 GLU 6 -1.239 1.915 -14.601 196 HB3 GLU 6 HB1 GLU 6 0.386 1.289 -14.883 197 HG2 GLU 6 HG2 GLU 6 -0.462 -0.194 -16.636 198 HG3 GLU 6 HG1 GLU 6 -2.109 0.354 -16.328 199 H GLU 7 HN GLU 7 -1.834 1.388 -12.089 200 HA GLU 7 HA GLU 7 0.532 1.725 -10.556 201 HB2 GLU 7 HB2 GLU 7 -2.384 2.144 -9.865 202 HB3 GLU 7 HB1 GLU 7 -1.052 2.599 -8.804 203 HG2 GLU 7 HG2 GLU 7 -1.383 3.584 -11.651 204 HG3 GLU 7 HG1 GLU 7 -1.868 4.494 -10.220 205 H ILE 8 HN ILE 8 -2.164 -0.527 -10.395 206 HA ILE 8 HA ILE 8 -1.569 -1.686 -7.861 207 HB ILE 8 HB ILE 8 -2.788 -3.070 -10.273 208 HG12 ILE 8 HG12 ILE 8 -3.976 -0.984 -9.923 209 HG13 ILE 8 HG11 ILE 8 -4.965 -2.285 -9.269 210 HG21 ILE 8 HG21 ILE 8 -2.166 -4.479 -8.288 211 HG22 ILE 8 HG22 ILE 8 -3.901 -4.438 -8.593 212 HG23 ILE 8 HG23 ILE 8 -3.212 -3.465 -7.294 213 HD11 ILE 8 HD11 ILE 8 -5.028 -0.621 -7.613 214 HD12 ILE 8 HD12 ILE 8 -3.322 -0.241 -7.790 215 HD13 ILE 8 HD13 ILE 8 -3.813 -1.747 -7.011 216 H THR 9 HN THR 9 -0.485 -2.479 -11.142 217 HA THR 9 HA THR 9 0.991 -4.792 -10.477 218 HB THR 9 HB THR 9 1.471 -2.770 -12.682 219 HG1 THR 9 HG1 THR 9 -0.542 -4.284 -12.311 220 HG21 THR 9 HG21 THR 9 3.455 -4.069 -12.432 221 HG22 THR 9 HG22 THR 9 2.566 -4.796 -13.770 222 HG23 THR 9 HG23 THR 9 2.538 -5.551 -12.175 223 H ARG 10 HN ARG 10 1.875 -1.353 -10.561 224 HA ARG 10 HA ARG 10 4.629 -1.661 -10.015 225 HB2 ARG 10 HB2 ARG 10 3.579 0.454 -10.797 226 HB3 ARG 10 HB1 ARG 10 2.824 0.633 -9.214 227 HG2 ARG 10 HG2 ARG 10 5.018 0.706 -8.137 228 HG3 ARG 10 HG1 ARG 10 5.813 0.435 -9.688 229 HD2 ARG 10 HD2 ARG 10 5.895 2.801 -9.250 230 HD3 ARG 10 HD1 ARG 10 4.713 2.539 -10.528 231 HE ARG 10 HE ARG 10 3.003 3.126 -9.026 232 HH11 ARG 10 HH11 ARG 10 2.312 4.154 -7.123 233 HH12 ARG 10 HH12 ARG 10 3.437 4.400 -5.829 234 HH21 ARG 10 HH21 ARG 10 6.090 2.921 -7.496 235 HH22 ARG 10 HH22 ARG 10 5.574 3.703 -6.041 236 H CYS 11 HN CYS 11 1.815 -1.297 -7.881 237 HA CYS 11 HA CYS 11 3.139 -1.113 -5.422 238 HB2 CYS 11 HB2 CYS 11 0.653 -0.854 -5.892 239 HB3 CYS 11 HB1 CYS 11 0.561 -2.613 -5.857 240 H LYS 12 HN LYS 12 2.199 -3.946 -7.322 241 HA LYS 12 HA LYS 12 2.934 -5.920 -5.439 242 HB2 LYS 12 HB2 LYS 12 1.563 -6.341 -7.452 243 HB3 LYS 12 HB1 LYS 12 2.992 -6.119 -8.458 244 HG2 LYS 12 HG2 LYS 12 4.116 -7.975 -7.216 245 HG3 LYS 12 HG1 LYS 12 2.628 -8.225 -6.304 246 HD2 LYS 12 HD2 LYS 12 2.692 -8.300 -9.320 247 HD3 LYS 12 HD1 LYS 12 2.993 -9.738 -8.346 248 HE2 LYS 12 HE2 LYS 12 0.769 -9.287 -7.196 249 HE3 LYS 12 HE1 LYS 12 0.472 -8.059 -8.424 250 HZ1 LYS 12 HZ1 LYS 12 -0.010 -10.751 -8.629 251 HZ2 LYS 12 HZ2 LYS 12 1.347 -10.471 -9.610 252 HZ3 LYS 12 HZ3 LYS 12 -0.089 -9.599 -9.871 253 H LYS 13 HN LYS 13 4.749 -4.303 -8.021 254 HA LYS 13 HA LYS 13 7.119 -5.814 -7.792 255 HB2 LYS 13 HB2 LYS 13 6.609 -2.993 -8.742 256 HB3 LYS 13 HB1 LYS 13 8.199 -3.753 -8.819 257 HG2 LYS 13 HG2 LYS 13 7.235 -5.597 -10.169 258 HG3 LYS 13 HG1 LYS 13 5.662 -4.799 -10.112 259 HD2 LYS 13 HD2 LYS 13 6.604 -2.830 -11.254 260 HD3 LYS 13 HD1 LYS 13 8.187 -3.607 -11.294 261 HE2 LYS 13 HE2 LYS 13 7.280 -5.431 -12.663 262 HE3 LYS 13 HE1 LYS 13 5.680 -4.695 -12.608 263 HZ1 LYS 13 HZ1 LYS 13 7.882 -3.012 -13.512 264 HZ2 LYS 13 HZ2 LYS 13 6.269 -3.075 -14.047 265 HZ3 LYS 13 HZ3 LYS 13 7.385 -4.245 -14.566 266 H LEU 14 HN LEU 14 6.021 -2.878 -6.145 267 HA LEU 14 HA LEU 14 8.424 -2.341 -4.751 268 HB2 LEU 14 HB2 LEU 14 5.542 -1.722 -4.055 269 HB3 LEU 14 HB1 LEU 14 6.936 -1.046 -3.214 270 HG LEU 14 HG LEU 14 6.449 -0.767 -6.194 271 HD11 LEU 14 HD11 LEU 14 5.683 0.971 -3.853 272 HD12 LEU 14 HD12 LEU 14 4.740 0.545 -5.280 273 HD13 LEU 14 HD13 LEU 14 6.054 1.704 -5.410 274 HD21 LEU 14 HD21 LEU 14 8.746 -0.431 -5.896 275 HD22 LEU 14 HD22 LEU 14 8.545 0.250 -4.281 276 HD23 LEU 14 HD23 LEU 14 8.122 1.206 -5.704 277 H LEU 15 HN LEU 15 5.570 -4.254 -3.902 278 HA LEU 15 HA LEU 15 6.413 -4.935 -1.279 279 HB2 LEU 15 HB2 LEU 15 4.525 -6.313 -3.201 280 HB3 LEU 15 HB1 LEU 15 4.748 -6.798 -1.519 281 HG LEU 15 HG LEU 15 3.973 -3.989 -2.350 282 HD11 LEU 15 HD11 LEU 15 2.172 -5.425 -3.047 283 HD12 LEU 15 HD12 LEU 15 1.683 -4.668 -1.530 284 HD13 LEU 15 HD13 LEU 15 2.249 -6.339 -1.539 285 HD21 LEU 15 HD21 LEU 15 4.301 -5.439 0.275 286 HD22 LEU 15 HD22 LEU 15 3.091 -4.161 0.151 287 HD23 LEU 15 HD23 LEU 15 4.783 -3.801 -0.165 288 H ASP 16 HN ASP 16 6.882 -6.454 -4.420 289 HA ASP 16 HA ASP 16 8.060 -8.852 -3.516 290 HB2 ASP 16 HB2 ASP 16 8.298 -7.325 -6.108 291 HB3 ASP 16 HB1 ASP 16 9.097 -8.873 -5.841 292 H ASP 17 HN ASP 17 9.376 -5.662 -4.142 293 HA ASP 17 HA ASP 17 12.118 -6.330 -4.047 294 HB2 ASP 17 HB2 ASP 17 10.639 -3.764 -3.452 295 HB3 ASP 17 HB1 ASP 17 12.397 -3.887 -3.433 296 H SER 18 HN SER 18 9.761 -6.465 -1.651 297 HA SER 18 HA SER 18 11.083 -5.572 0.631 298 HB2 SER 18 HB2 SER 18 9.550 -6.992 1.881 299 HB3 SER 18 HB1 SER 18 8.686 -6.243 0.541 300 HG SER 18 HG SER 18 8.652 -8.709 1.003 301 H SER 19 HN SER 19 11.535 -8.415 -1.243 302 HA SER 19 HA SER 19 13.140 -9.757 0.782 303 HB2 SER 19 HB2 SER 19 13.396 -11.533 -0.841 304 HB3 SER 19 HB1 SER 19 11.703 -11.042 -0.804 305 HG SER 19 HG SER 19 12.447 -11.183 -2.939 306 H SER 20 HN SER 20 13.599 -7.480 -1.659 307 HA SER 20 HA SER 20 16.374 -8.105 -2.212 308 HB2 SER 20 HB2 SER 20 15.192 -7.075 -4.005 309 HB3 SER 20 HB1 SER 20 14.601 -5.787 -2.964 310 HG SER 20 HG SER 20 16.572 -4.884 -2.940 311 H1 LYS 1 HN LYS 1 18.170 -6.855 -1.602 312 HA LYS 1 HA LYS 1 17.873 -5.555 1.009 313 HB2 LYS 1 HB2 LYS 1 20.306 -6.379 -0.563 314 HB3 LYS 1 HB1 LYS 1 20.356 -5.628 1.031 315 HG2 LYS 1 HG2 LYS 1 18.970 -7.491 1.928 316 HG3 LYS 1 HG1 LYS 1 19.020 -8.264 0.345 317 HD2 LYS 1 HD2 LYS 1 21.522 -7.525 1.876 318 HD3 LYS 1 HD1 LYS 1 20.743 -9.098 2.042 319 HE2 LYS 1 HE2 LYS 1 20.919 -9.319 -0.492 320 HE3 LYS 1 HE1 LYS 1 21.946 -7.889 -0.464 321 HZ1 LYS 1 HZ1 LYS 1 23.621 -9.215 -0.013 322 HZ2 LYS 1 HZ2 LYS 1 22.600 -10.558 0.175 323 HZ3 LYS 1 HZ3 LYS 1 22.921 -9.541 1.497 324 H ASN 2 HN ASN 2 17.332 -4.482 -1.885 325 HA ASN 2 HA ASN 2 19.096 -2.395 -2.344 326 HB2 ASN 2 HB2 ASN 2 17.138 -1.352 -3.612 327 HB3 ASN 2 HB1 ASN 2 17.642 -2.964 -4.119 328 HD21 ASN 2 HD21 ASN 2 15.562 -1.820 -1.388 329 HD22 ASN 2 HD22 ASN 2 14.255 -2.821 -1.798 330 HA PRO 3 HA PRO 3 18.265 0.737 0.682 331 HB2 PRO 3 HB2 PRO 3 17.878 2.659 -1.591 332 HB3 PRO 3 HB1 PRO 3 18.977 2.765 -0.201 333 HG2 PRO 3 HG2 PRO 3 19.887 2.155 -2.623 334 HG3 PRO 3 HG1 PRO 3 20.553 1.385 -1.171 335 HD2 PRO 3 HD2 PRO 3 18.684 0.264 -3.217 336 HD3 PRO 3 HD1 PRO 3 19.978 -0.523 -2.291 337 H GLU 4 HN GLU 4 16.076 0.297 -1.998 338 HA GLU 4 HA GLU 4 13.952 1.962 -1.177 339 HB2 GLU 4 HB2 GLU 4 13.962 -0.586 -2.806 340 HB3 GLU 4 HB1 GLU 4 12.538 0.427 -2.580 341 HG2 GLU 4 HG2 GLU 4 13.708 2.335 -3.575 342 HG3 GLU 4 HG1 GLU 4 15.171 1.367 -3.750 343 H ALA 5 HN ALA 5 15.244 -0.800 0.258 344 HA ALA 5 HA ALA 5 13.012 -2.142 1.277 345 HB1 ALA 5 HB1 ALA 5 14.491 -3.093 2.889 346 HB2 ALA 5 HB2 ALA 5 15.590 -1.717 2.793 347 HB3 ALA 5 HB3 ALA 5 15.458 -2.836 1.436 348 H GLU 6 HN GLU 6 14.504 0.883 2.215 349 HA GLU 6 HA GLU 6 13.402 1.152 4.802 350 HB2 GLU 6 HB2 GLU 6 14.205 3.209 2.737 351 HB3 GLU 6 HB1 GLU 6 13.707 3.623 4.378 352 HG2 GLU 6 HG2 GLU 6 15.516 2.248 5.298 353 HG3 GLU 6 HG1 GLU 6 15.994 1.763 3.672 354 H GLU 7 HN GLU 7 12.152 1.994 1.596 355 HA GLU 7 HA GLU 7 9.793 3.291 2.501 356 HB2 GLU 7 HB2 GLU 7 10.461 1.926 -0.116 357 HB3 GLU 7 HB1 GLU 7 8.973 2.830 0.163 358 HG2 GLU 7 HG2 GLU 7 11.758 3.974 0.516 359 HG3 GLU 7 HG1 GLU 7 10.770 4.197 -0.928 360 H ILE 8 HN ILE 8 10.593 -0.054 1.757 361 HA ILE 8 HA ILE 8 7.954 -1.126 1.832 362 HB ILE 8 HB ILE 8 10.517 -2.507 2.693 363 HG12 ILE 8 HG12 ILE 8 10.900 -1.492 0.522 364 HG13 ILE 8 HG11 ILE 8 10.624 -3.212 0.278 365 HG21 ILE 8 HG21 ILE 8 8.342 -3.673 3.138 366 HG22 ILE 8 HG22 ILE 8 9.348 -4.524 1.968 367 HG23 ILE 8 HG23 ILE 8 7.975 -3.565 1.417 368 HD11 ILE 8 HD11 ILE 8 9.310 -2.175 -1.373 369 HD12 ILE 8 HD12 ILE 8 8.767 -0.908 -0.284 370 HD13 ILE 8 HD13 ILE 8 8.146 -2.550 -0.104 371 H THR 9 HN THR 9 10.377 -0.605 4.367 372 HA THR 9 HA THR 9 8.947 -1.816 6.480 373 HB THR 9 HB THR 9 10.910 0.490 6.550 374 HG1 THR 9 HG1 THR 9 11.327 -1.878 5.792 375 HG21 THR 9 HG21 THR 9 9.701 0.469 8.615 376 HG22 THR 9 HG22 THR 9 11.236 -0.338 8.926 377 HG23 THR 9 HG23 THR 9 9.766 -1.289 8.712 378 H ARG 10 HN ARG 10 8.948 1.497 5.205 379 HA ARG 10 HA ARG 10 7.262 2.647 7.157 380 HB2 ARG 10 HB2 ARG 10 8.603 3.946 5.508 381 HB3 ARG 10 HB1 ARG 10 7.503 3.412 4.236 382 HG2 ARG 10 HG2 ARG 10 5.618 4.481 5.372 383 HG3 ARG 10 HG1 ARG 10 6.667 4.958 6.709 384 HD2 ARG 10 HD2 ARG 10 6.437 6.869 5.257 385 HD3 ARG 10 HD1 ARG 10 8.067 6.235 5.057 386 HE ARG 10 HE ARG 10 7.495 5.525 2.892 387 HH11 ARG 10 HH11 ARG 10 6.163 5.648 1.058 388 HH12 ARG 10 HH12 ARG 10 4.537 6.221 1.221 389 HH21 ARG 10 HH21 ARG 10 4.782 6.747 4.637 390 HH22 ARG 10 HH22 ARG 10 3.756 6.842 3.246 391 H CYS 11 HN CYS 11 6.562 1.029 4.077 392 HA CYS 11 HA CYS 11 3.802 1.484 3.955 393 HB2 CYS 11 HB2 CYS 11 5.277 0.434 2.182 394 HB3 CYS 11 HB1 CYS 11 5.169 -1.067 3.100 395 H LYS 12 HN LYS 12 5.656 -1.015 5.641 396 HA LYS 12 HA LYS 12 3.467 -2.564 6.534 397 HB2 LYS 12 HB2 LYS 12 5.826 -3.298 6.590 398 HB3 LYS 12 HB1 LYS 12 6.138 -2.158 7.896 399 HG2 LYS 12 HG2 LYS 12 4.383 -3.285 9.265 400 HG3 LYS 12 HG1 LYS 12 4.161 -4.459 7.969 401 HD2 LYS 12 HD2 LYS 12 6.847 -3.969 9.262 402 HD3 LYS 12 HD1 LYS 12 5.708 -5.162 9.885 403 HE2 LYS 12 HE2 LYS 12 5.669 -6.182 7.557 404 HE3 LYS 12 HE1 LYS 12 7.007 -5.113 7.147 405 HZ1 LYS 12 HZ1 LYS 12 7.167 -7.558 8.375 406 HZ2 LYS 12 HZ2 LYS 12 7.495 -6.427 9.600 407 HZ3 LYS 12 HZ3 LYS 12 8.416 -6.431 8.171 408 H LYS 13 HN LYS 13 5.167 0.203 7.960 409 HA LYS 13 HA LYS 13 3.809 0.226 10.432 410 HB2 LYS 13 HB2 LYS 13 5.143 2.422 8.845 411 HB3 LYS 13 HB1 LYS 13 4.469 2.679 10.456 412 HG2 LYS 13 HG2 LYS 13 5.924 0.878 11.338 413 HG3 LYS 13 HG1 LYS 13 6.612 0.658 9.729 414 HD2 LYS 13 HD2 LYS 13 7.426 2.981 9.746 415 HD3 LYS 13 HD1 LYS 13 6.719 3.224 11.344 416 HE2 LYS 13 HE2 LYS 13 8.166 1.448 12.258 417 HE3 LYS 13 HE1 LYS 13 8.876 1.204 10.663 418 HZ1 LYS 13 HZ1 LYS 13 8.883 3.926 11.687 419 HZ2 LYS 13 HZ2 LYS 13 10.067 3.096 10.795 420 HZ3 LYS 13 HZ3 LYS 13 9.916 2.831 12.467 421 H LEU 14 HN LEU 14 3.068 1.732 7.316 422 HA LEU 14 HA LEU 14 0.839 3.245 8.181 423 HB2 LEU 14 HB2 LEU 14 1.506 2.052 5.478 424 HB3 LEU 14 HB1 LEU 14 0.211 3.215 5.758 425 HG LEU 14 HG LEU 14 3.125 3.710 6.434 426 HD11 LEU 14 HD11 LEU 14 1.488 4.306 3.975 427 HD12 LEU 14 HD12 LEU 14 3.140 3.703 4.095 428 HD13 LEU 14 HD13 LEU 14 2.794 5.390 4.449 429 HD21 LEU 14 HD21 LEU 14 1.934 5.185 7.794 430 HD22 LEU 14 HD22 LEU 14 0.596 5.331 6.652 431 HD23 LEU 14 HD23 LEU 14 2.126 6.153 6.335 432 H LEU 15 HN LEU 15 1.122 -0.036 6.889 433 HA LEU 15 HA LEU 15 -1.661 -0.594 6.830 434 HB2 LEU 15 HB2 LEU 15 0.750 -2.412 7.016 435 HB3 LEU 15 HB1 LEU 15 -0.901 -2.987 6.791 436 HG LEU 15 HG LEU 15 0.415 -0.964 4.959 437 HD11 LEU 15 HD11 LEU 15 1.691 -3.002 4.768 438 HD12 LEU 15 HD12 LEU 15 0.614 -2.910 3.373 439 HD13 LEU 15 HD13 LEU 15 0.218 -3.974 4.723 440 HD21 LEU 15 HD21 LEU 15 -2.214 -2.443 4.995 441 HD22 LEU 15 HD22 LEU 15 -1.478 -2.060 3.438 442 HD23 LEU 15 HD23 LEU 15 -1.876 -0.767 4.561 443 H ASP 16 HN ASP 16 0.830 -1.031 9.283 444 HA ASP 16 HA ASP 16 -0.701 -2.512 11.130 445 HB2 ASP 16 HB2 ASP 16 1.667 -0.671 11.467 446 HB3 ASP 16 HB1 ASP 16 0.947 -1.545 12.818 447 H ASP 17 HN ASP 17 -0.415 0.932 10.522 448 HA ASP 17 HA ASP 17 -1.733 1.860 12.842 449 HB2 ASP 17 HB2 ASP 17 -1.426 3.062 10.083 450 HB3 ASP 17 HB1 ASP 17 -2.173 3.910 11.435 451 H SER 18 HN SER 18 -2.887 0.034 10.263 452 HA SER 18 HA SER 18 -5.431 1.071 9.797 453 HB2 SER 18 HB2 SER 18 -6.018 -1.158 9.006 454 HB3 SER 18 HB1 SER 18 -4.378 -0.774 8.491 455 HG SER 18 HG SER 18 -5.003 -2.889 9.703 456 H SER 19 HN SER 19 -4.175 -0.686 12.474 457 HA SER 19 HA SER 19 -6.796 -1.272 13.599 458 HB2 SER 19 HB2 SER 19 -5.597 -2.306 15.425 459 HB3 SER 19 HB1 SER 19 -4.862 -2.823 13.910 460 HG SER 19 HG SER 19 -3.282 -2.149 15.399 461 H SER 20 HN SER 20 -4.614 1.291 13.599 462 HA SER 20 HA SER 20 -5.335 2.377 16.186 463 HB2 SER 20 HB2 SER 20 -3.139 2.913 15.436 464 HB3 SER 20 HB1 SER 20 -3.729 3.469 13.877 465 HG SER 20 HG SER 20 -4.482 5.273 14.788 466 H2 ZBR 100 HA3 TBS 100 -1.521 0.943 -1.898 467 H4 ZBR 100 HC3 TBS 100 0.825 1.481 1.681 468 H6 ZBR 100 HB3 TBS 100 2.673 -0.072 -1.894 469 H7 ZBR 100 HB11 TBS 100 1.089 0.616 -4.096 470 H7A ZBR 100 HB12 TBS 100 -0.559 0.041 -3.827 471 H8 ZBR 100 HA11 TBS 100 -2.029 2.696 0.213 472 H8A ZBR 100 HA12 TBS 100 -1.462 1.977 1.722 473 H9 ZBR 100 HC11 TBS 100 3.495 1.584 1.047 474 H9A ZBR 100 HC12 TBS 100 3.971 0.223 0.028 Start of MODEL 8 1 H1 LYS 1 HN LYS 1 -6.033 4.769 16.872 2 HA LYS 1 HA LYS 1 -8.221 5.627 15.216 3 HB2 LYS 1 HB2 LYS 1 -7.012 6.784 17.738 4 HB3 LYS 1 HB1 LYS 1 -8.463 7.414 16.959 5 HG2 LYS 1 HG2 LYS 1 -9.564 5.227 17.214 6 HG3 LYS 1 HG1 LYS 1 -8.111 4.580 17.979 7 HD2 LYS 1 HD2 LYS 1 -8.320 6.255 19.787 8 HD3 LYS 1 HD1 LYS 1 -9.784 6.883 19.027 9 HE2 LYS 1 HE2 LYS 1 -10.880 4.697 19.290 10 HE3 LYS 1 HE1 LYS 1 -9.415 4.042 20.021 11 HZ1 LYS 1 HZ1 LYS 1 -11.365 5.918 21.125 12 HZ2 LYS 1 HZ2 LYS 1 -9.741 6.117 21.578 13 HZ3 LYS 1 HZ3 LYS 1 -10.537 4.647 21.883 14 H ASN 2 HN ASN 2 -5.172 5.890 14.562 15 HA ASN 2 HA ASN 2 -4.568 8.611 14.353 16 HB2 ASN 2 HB2 ASN 2 -3.648 6.311 12.609 17 HB3 ASN 2 HB1 ASN 2 -2.909 7.910 12.635 18 HD21 ASN 2 HD21 ASN 2 -1.958 5.111 13.539 19 HD22 ASN 2 HD22 ASN 2 -1.376 5.383 15.113 20 HA PRO 3 HA PRO 3 -7.132 10.003 10.992 21 HB2 PRO 3 HB2 PRO 3 -5.490 11.941 9.896 22 HB3 PRO 3 HB1 PRO 3 -6.403 12.163 11.403 23 HG2 PRO 3 HG2 PRO 3 -3.530 11.432 11.024 24 HG3 PRO 3 HG1 PRO 3 -4.259 12.556 12.183 25 HD2 PRO 3 HD2 PRO 3 -3.504 10.070 12.906 26 HD3 PRO 3 HD1 PRO 3 -4.921 10.857 13.623 27 H GLU 4 HN GLU 4 -3.979 8.708 10.470 28 HA GLU 4 HA GLU 4 -3.896 8.743 7.642 29 HB2 GLU 4 HB2 GLU 4 -2.578 6.895 9.642 30 HB3 GLU 4 HB1 GLU 4 -2.225 6.900 7.914 31 HG2 GLU 4 HG2 GLU 4 -1.547 9.258 8.039 32 HG3 GLU 4 HG1 GLU 4 -1.934 9.288 9.758 33 H ALA 5 HN ALA 5 -5.874 7.056 9.797 34 HA ALA 5 HA ALA 5 -6.198 4.545 8.648 35 HB1 ALA 5 HB1 ALA 5 -8.457 6.205 9.770 36 HB2 ALA 5 HB2 ALA 5 -7.244 5.430 10.789 37 HB3 ALA 5 HB3 ALA 5 -8.300 4.449 9.771 38 H GLU 6 HN GLU 6 -7.288 7.679 7.565 39 HA GLU 6 HA GLU 6 -9.282 6.848 5.735 40 HB2 GLU 6 HB2 GLU 6 -7.457 9.258 5.791 41 HB3 GLU 6 HB1 GLU 6 -8.740 9.047 4.599 42 HG2 GLU 6 HG2 GLU 6 -10.412 8.918 6.372 43 HG3 GLU 6 HG1 GLU 6 -9.153 9.016 7.601 44 H GLU 7 HN GLU 7 -5.771 7.197 5.464 45 HA GLU 7 HA GLU 7 -5.601 6.729 2.673 46 HB2 GLU 7 HB2 GLU 7 -3.776 7.724 4.079 47 HB3 GLU 7 HB1 GLU 7 -3.490 6.119 4.753 48 HG2 GLU 7 HG2 GLU 7 -1.936 6.475 2.916 49 HG3 GLU 7 HG1 GLU 7 -3.118 5.264 2.422 50 H ILE 8 HN ILE 8 -5.543 4.613 5.489 51 HA ILE 8 HA ILE 8 -4.828 2.221 4.153 52 HB ILE 8 HB ILE 8 -6.316 2.830 6.704 53 HG12 ILE 8 HG12 ILE 8 -4.337 1.626 7.673 54 HG13 ILE 8 HG11 ILE 8 -3.679 1.465 6.045 55 HG21 ILE 8 HG21 ILE 8 -6.002 0.149 5.357 56 HG22 ILE 8 HG22 ILE 8 -7.448 0.860 6.067 57 HG23 ILE 8 HG23 ILE 8 -6.149 0.287 7.107 58 HD11 ILE 8 HD11 ILE 8 -3.465 3.841 5.813 59 HD12 ILE 8 HD12 ILE 8 -2.806 3.436 7.401 60 HD13 ILE 8 HD13 ILE 8 -4.421 4.119 7.265 61 H THR 9 HN THR 9 -7.980 3.739 4.734 62 HA THR 9 HA THR 9 -9.585 1.664 3.723 63 HB THR 9 HB THR 9 -10.045 4.656 3.681 64 HG1 THR 9 HG1 THR 9 -10.649 2.587 5.514 65 HG21 THR 9 HG21 THR 9 -12.467 3.920 3.614 66 HG22 THR 9 HG22 THR 9 -11.883 2.298 3.239 67 HG23 THR 9 HG23 THR 9 -11.558 3.630 2.131 68 H ARG 10 HN ARG 10 -8.027 4.430 2.149 69 HA ARG 10 HA ARG 10 -9.047 3.986 -0.459 70 HB2 ARG 10 HB2 ARG 10 -6.560 5.361 0.559 71 HB3 ARG 10 HB1 ARG 10 -6.987 5.302 -1.150 72 HG2 ARG 10 HG2 ARG 10 -8.997 6.519 -0.806 73 HG3 ARG 10 HG1 ARG 10 -8.928 6.291 0.942 74 HD2 ARG 10 HD2 ARG 10 -8.224 8.584 0.162 75 HD3 ARG 10 HD1 ARG 10 -7.020 7.744 1.133 76 HE ARG 10 HE ARG 10 -5.652 7.604 -0.752 77 HH11 ARG 10 HH11 ARG 10 -5.111 8.167 -2.876 78 HH12 ARG 10 HH12 ARG 10 -6.326 8.789 -3.942 79 HH21 ARG 10 HH21 ARG 10 -8.858 8.609 -1.576 80 HH22 ARG 10 HH22 ARG 10 -8.451 9.039 -3.204 81 H CYS 11 HN CYS 11 -6.208 2.776 1.257 82 HA CYS 11 HA CYS 11 -4.847 1.547 -0.840 83 HB2 CYS 11 HB2 CYS 11 -4.208 1.776 1.665 84 HB3 CYS 11 HB1 CYS 11 -5.076 0.255 1.869 85 H LYS 12 HN LYS 12 -7.443 0.253 1.216 86 HA LYS 12 HA LYS 12 -7.530 -2.319 0.066 87 HB2 LYS 12 HB2 LYS 12 -9.647 -0.676 1.465 88 HB3 LYS 12 HB1 LYS 12 -9.878 -2.360 0.994 89 HG2 LYS 12 HG2 LYS 12 -7.909 -3.004 2.344 90 HG3 LYS 12 HG1 LYS 12 -7.694 -1.321 2.825 91 HD2 LYS 12 HD2 LYS 12 -9.948 -1.332 3.849 92 HD3 LYS 12 HD1 LYS 12 -10.135 -3.027 3.399 93 HE2 LYS 12 HE2 LYS 12 -7.965 -1.927 5.211 94 HE3 LYS 12 HE1 LYS 12 -9.399 -2.800 5.750 95 HZ1 LYS 12 HZ1 LYS 12 -6.978 -3.871 4.914 96 HZ2 LYS 12 HZ2 LYS 12 -8.115 -4.260 3.712 97 HZ3 LYS 12 HZ3 LYS 12 -8.394 -4.709 5.326 98 H LYS 13 HN LYS 13 -9.220 0.688 -0.738 99 HA LYS 13 HA LYS 13 -10.892 -0.401 -2.755 100 HB2 LYS 13 HB2 LYS 13 -9.823 2.405 -2.387 101 HB3 LYS 13 HB1 LYS 13 -11.111 1.958 -3.505 102 HG2 LYS 13 HG2 LYS 13 -11.206 1.488 -0.513 103 HG3 LYS 13 HG1 LYS 13 -11.964 2.857 -1.325 104 HD2 LYS 13 HD2 LYS 13 -13.163 1.055 -2.773 105 HD3 LYS 13 HD1 LYS 13 -12.673 -0.076 -1.513 106 HE2 LYS 13 HE2 LYS 13 -14.316 2.424 -1.093 107 HE3 LYS 13 HE1 LYS 13 -14.907 0.763 -1.047 108 HZ1 LYS 13 HZ1 LYS 13 -14.471 1.568 1.171 109 HZ2 LYS 13 HZ2 LYS 13 -12.865 1.935 0.760 110 HZ3 LYS 13 HZ3 LYS 13 -13.391 0.318 0.789 111 H LEU 14 HN LEU 14 -7.662 1.011 -2.834 112 HA LEU 14 HA LEU 14 -7.359 1.017 -5.641 113 HB2 LEU 14 HB2 LEU 14 -5.365 0.867 -3.380 114 HB3 LEU 14 HB1 LEU 14 -4.881 0.994 -5.071 115 HG LEU 14 HG LEU 14 -6.776 2.953 -3.739 116 HD11 LEU 14 HD11 LEU 14 -3.773 3.150 -4.132 117 HD12 LEU 14 HD12 LEU 14 -4.619 3.063 -2.587 118 HD13 LEU 14 HD13 LEU 14 -4.810 4.479 -3.620 119 HD21 LEU 14 HD21 LEU 14 -5.376 2.779 -6.409 120 HD22 LEU 14 HD22 LEU 14 -5.743 4.364 -5.729 121 HD23 LEU 14 HD23 LEU 14 -7.046 3.227 -6.056 122 H LEU 15 HN LEU 15 -6.604 -1.411 -3.195 123 HA LEU 15 HA LEU 15 -5.370 -3.263 -4.943 124 HB2 LEU 15 HB2 LEU 15 -6.773 -3.622 -2.290 125 HB3 LEU 15 HB1 LEU 15 -5.910 -4.918 -3.123 126 HG LEU 15 HG LEU 15 -4.652 -2.252 -2.412 127 HD11 LEU 15 HD11 LEU 15 -4.408 -4.895 -0.953 128 HD12 LEU 15 HD12 LEU 15 -5.343 -3.510 -0.384 129 HD13 LEU 15 HD13 LEU 15 -3.589 -3.392 -0.537 130 HD21 LEU 15 HD21 LEU 15 -3.664 -4.809 -3.663 131 HD22 LEU 15 HD22 LEU 15 -2.557 -3.893 -2.638 132 HD23 LEU 15 HD23 LEU 15 -3.263 -3.139 -4.063 133 H ASP 16 HN ASP 16 -8.711 -2.802 -3.925 134 HA ASP 16 HA ASP 16 -9.789 -5.131 -5.092 135 HB2 ASP 16 HB2 ASP 16 -11.003 -2.440 -4.451 136 HB3 ASP 16 HB1 ASP 16 -11.943 -3.796 -5.070 137 H ASP 17 HN ASP 17 -9.114 -1.931 -6.373 138 HA ASP 17 HA ASP 17 -10.475 -2.191 -8.834 139 HB2 ASP 17 HB2 ASP 17 -8.118 -0.489 -8.004 140 HB3 ASP 17 HB1 ASP 17 -8.879 -0.379 -9.590 141 H SER 18 HN SER 18 -7.800 -3.841 -7.648 142 HA SER 18 HA SER 18 -6.108 -4.064 -9.842 143 HB2 SER 18 HB2 SER 18 -5.336 -6.146 -8.829 144 HB3 SER 18 HB1 SER 18 -5.613 -4.942 -7.572 145 HG SER 18 HG SER 18 -6.990 -6.285 -6.758 146 H SER 19 HN SER 19 -9.136 -5.593 -9.172 147 HA SER 19 HA SER 19 -8.926 -7.348 -11.509 148 HB2 SER 19 HB2 SER 19 -11.126 -7.023 -9.465 149 HB3 SER 19 HB1 SER 19 -11.157 -8.174 -10.797 150 HG SER 19 HG SER 19 -8.973 -8.064 -9.018 151 H SER 20 HN SER 20 -9.955 -4.258 -10.786 152 HA SER 20 HA SER 20 -12.082 -4.091 -12.753 153 HB2 SER 20 HB2 SER 20 -12.207 -1.755 -12.174 154 HB3 SER 20 HB1 SER 20 -12.055 -2.686 -10.688 155 HG SER 20 HG SER 20 -9.746 -1.778 -11.989 156 H1 LYS 1 HN LYS 1 -12.013 -2.901 -14.689 157 HA LYS 1 HA LYS 1 -9.520 -3.097 -16.110 158 HB2 LYS 1 HB2 LYS 1 -12.215 -1.967 -16.895 159 HB3 LYS 1 HB1 LYS 1 -10.841 -2.100 -17.993 160 HG2 LYS 1 HG2 LYS 1 -10.769 -4.534 -17.626 161 HG3 LYS 1 HG1 LYS 1 -12.134 -4.411 -16.515 162 HD2 LYS 1 HD2 LYS 1 -13.535 -3.504 -18.339 163 HD3 LYS 1 HD1 LYS 1 -12.173 -3.648 -19.450 164 HE2 LYS 1 HE2 LYS 1 -12.110 -6.081 -19.077 165 HE3 LYS 1 HE1 LYS 1 -13.459 -5.948 -17.949 166 HZ1 LYS 1 HZ1 LYS 1 -13.438 -5.713 -20.861 167 HZ2 LYS 1 HZ2 LYS 1 -14.527 -4.730 -20.006 168 HZ3 LYS 1 HZ3 LYS 1 -14.593 -6.419 -19.839 169 H ASN 2 HN ASN 2 -10.197 -1.082 -13.815 170 HA ASN 2 HA ASN 2 -10.042 1.506 -14.864 171 HB2 ASN 2 HB2 ASN 2 -9.033 0.464 -12.204 172 HB3 ASN 2 HB1 ASN 2 -9.255 2.165 -12.599 173 HD21 ASN 2 HD21 ASN 2 -10.676 0.204 -10.664 174 HD22 ASN 2 HD22 ASN 2 -12.325 0.452 -11.003 175 HA PRO 3 HA PRO 3 -5.813 1.846 -16.201 176 HB2 PRO 3 HB2 PRO 3 -5.358 4.531 -15.706 177 HB3 PRO 3 HB1 PRO 3 -6.314 3.931 -17.077 178 HG2 PRO 3 HG2 PRO 3 -7.244 4.995 -14.444 179 HG3 PRO 3 HG1 PRO 3 -7.895 5.286 -16.067 180 HD2 PRO 3 HD2 PRO 3 -9.060 3.548 -14.359 181 HD3 PRO 3 HD1 PRO 3 -9.061 3.276 -16.109 182 H GLU 4 HN GLU 4 -6.776 2.627 -12.983 183 HA GLU 4 HA GLU 4 -4.258 3.224 -11.845 184 HB2 GLU 4 HB2 GLU 4 -6.766 2.063 -10.611 185 HB3 GLU 4 HB1 GLU 4 -5.356 2.583 -9.687 186 HG2 GLU 4 HG2 GLU 4 -5.573 4.856 -10.604 187 HG3 GLU 4 HG1 GLU 4 -6.965 4.345 -11.559 188 H ALA 5 HN ALA 5 -5.497 0.360 -13.138 189 HA ALA 5 HA ALA 5 -4.519 -1.651 -11.486 190 HB1 ALA 5 HB1 ALA 5 -4.434 -1.747 -14.502 191 HB2 ALA 5 HB2 ALA 5 -5.934 -1.897 -13.586 192 HB3 ALA 5 HB3 ALA 5 -4.651 -3.090 -13.380 193 H GLU 6 HN GLU 6 -2.833 0.508 -13.651 194 HA GLU 6 HA GLU 6 -0.398 -0.915 -13.893 195 HB2 GLU 6 HB2 GLU 6 -1.042 2.038 -13.985 196 HB3 GLU 6 HB1 GLU 6 0.564 1.390 -14.321 197 HG2 GLU 6 HG2 GLU 6 -0.316 0.047 -16.150 198 HG3 GLU 6 HG1 GLU 6 -1.962 0.553 -15.772 199 H GLU 7 HN GLU 7 -1.630 1.342 -11.463 200 HA GLU 7 HA GLU 7 0.774 1.585 -9.981 201 HB2 GLU 7 HB2 GLU 7 -1.192 3.131 -9.790 202 HB3 GLU 7 HB1 GLU 7 -2.050 1.854 -8.928 203 HG2 GLU 7 HG2 GLU 7 -1.030 3.345 -7.297 204 HG3 GLU 7 HG1 GLU 7 -0.185 1.799 -7.252 205 H ILE 8 HN ILE 8 -1.949 -0.646 -9.824 206 HA ILE 8 HA ILE 8 -1.231 -1.949 -7.413 207 HB ILE 8 HB ILE 8 -2.852 -2.749 -9.825 208 HG12 ILE 8 HG12 ILE 8 -4.657 -2.838 -8.082 209 HG13 ILE 8 HG11 ILE 8 -3.481 -2.292 -6.887 210 HG21 ILE 8 HG21 ILE 8 -1.958 -4.513 -7.549 211 HG22 ILE 8 HG22 ILE 8 -1.957 -4.856 -9.275 212 HG23 ILE 8 HG23 ILE 8 -3.478 -4.809 -8.391 213 HD11 ILE 8 HD11 ILE 8 -3.188 -0.197 -8.016 214 HD12 ILE 8 HD12 ILE 8 -4.930 -0.470 -7.909 215 HD13 ILE 8 HD13 ILE 8 -4.081 -0.772 -9.419 216 H THR 9 HN THR 9 -0.302 -2.557 -10.781 217 HA THR 9 HA THR 9 1.130 -4.936 -10.349 218 HB THR 9 HB THR 9 1.597 -2.747 -12.392 219 HG1 THR 9 HG1 THR 9 0.035 -5.108 -12.345 220 HG21 THR 9 HG21 THR 9 2.597 -4.703 -13.681 221 HG22 THR 9 HG22 THR 9 2.597 -5.588 -12.156 222 HG23 THR 9 HG23 THR 9 3.552 -4.114 -12.321 223 H ARG 10 HN ARG 10 2.099 -1.531 -10.202 224 HA ARG 10 HA ARG 10 4.850 -1.959 -9.669 225 HB2 ARG 10 HB2 ARG 10 2.985 0.335 -9.053 226 HB3 ARG 10 HB1 ARG 10 4.708 0.372 -8.682 227 HG2 ARG 10 HG2 ARG 10 5.317 0.182 -10.971 228 HG3 ARG 10 HG1 ARG 10 3.682 -0.276 -11.449 229 HD2 ARG 10 HD2 ARG 10 4.307 2.126 -11.952 230 HD3 ARG 10 HD1 ARG 10 2.843 1.922 -10.997 231 HE ARG 10 HE ARG 10 3.938 2.889 -9.176 232 HH11 ARG 10 HH11 ARG 10 5.669 4.033 -8.264 233 HH12 ARG 10 HH12 ARG 10 7.199 4.077 -9.075 234 HH21 ARG 10 HH21 ARG 10 6.136 2.124 -11.737 235 HH22 ARG 10 HH22 ARG 10 7.464 2.995 -11.044 236 H CYS 11 HN CYS 11 1.997 -1.720 -7.601 237 HA CYS 11 HA CYS 11 3.210 -1.581 -5.098 238 HB2 CYS 11 HB2 CYS 11 0.702 -1.506 -5.741 239 HB3 CYS 11 HB1 CYS 11 0.760 -3.261 -5.585 240 H LYS 12 HN LYS 12 2.361 -4.449 -7.025 241 HA LYS 12 HA LYS 12 3.232 -6.374 -5.157 242 HB2 LYS 12 HB2 LYS 12 3.009 -6.463 -8.172 243 HB3 LYS 12 HB1 LYS 12 3.394 -7.872 -7.182 244 HG2 LYS 12 HG2 LYS 12 1.286 -7.569 -5.930 245 HG3 LYS 12 HG1 LYS 12 0.897 -6.169 -6.929 246 HD2 LYS 12 HD2 LYS 12 0.937 -7.605 -8.945 247 HD3 LYS 12 HD1 LYS 12 1.282 -9.006 -7.930 248 HE2 LYS 12 HE2 LYS 12 -1.184 -7.251 -7.709 249 HE3 LYS 12 HE1 LYS 12 -1.132 -8.846 -8.459 250 HZ1 LYS 12 HZ1 LYS 12 -1.498 -8.250 -5.773 251 HZ2 LYS 12 HZ2 LYS 12 0.036 -8.969 -5.899 252 HZ3 LYS 12 HZ3 LYS 12 -1.338 -9.783 -6.480 253 H LYS 13 HN LYS 13 4.916 -4.705 -7.792 254 HA LYS 13 HA LYS 13 7.358 -6.129 -7.580 255 HB2 LYS 13 HB2 LYS 13 6.796 -3.323 -8.559 256 HB3 LYS 13 HB1 LYS 13 8.316 -4.184 -8.795 257 HG2 LYS 13 HG2 LYS 13 5.619 -5.165 -9.772 258 HG3 LYS 13 HG1 LYS 13 6.794 -4.322 -10.779 259 HD2 LYS 13 HD2 LYS 13 8.450 -6.185 -10.045 260 HD3 LYS 13 HD1 LYS 13 7.014 -7.064 -9.525 261 HE2 LYS 13 HE2 LYS 13 7.525 -6.023 -12.314 262 HE3 LYS 13 HE1 LYS 13 7.599 -7.707 -11.795 263 HZ1 LYS 13 HZ1 LYS 13 5.474 -7.226 -12.801 264 HZ2 LYS 13 HZ2 LYS 13 5.201 -5.959 -11.703 265 HZ3 LYS 13 HZ3 LYS 13 5.266 -7.565 -11.151 266 H LEU 14 HN LEU 14 6.170 -3.189 -6.035 267 HA LEU 14 HA LEU 14 8.575 -2.496 -4.726 268 HB2 LEU 14 HB2 LEU 14 5.676 -1.952 -4.080 269 HB3 LEU 14 HB1 LEU 14 7.007 -1.263 -3.151 270 HG LEU 14 HG LEU 14 6.760 -0.962 -6.159 271 HD11 LEU 14 HD11 LEU 14 5.833 0.909 -3.958 272 HD12 LEU 14 HD12 LEU 14 4.810 0.091 -5.138 273 HD13 LEU 14 HD13 LEU 14 5.935 1.342 -5.662 274 HD21 LEU 14 HD21 LEU 14 8.549 0.184 -4.012 275 HD22 LEU 14 HD22 LEU 14 8.216 1.136 -5.459 276 HD23 LEU 14 HD23 LEU 14 8.983 -0.441 -5.603 277 H LEU 15 HN LEU 15 5.849 -4.512 -3.735 278 HA LEU 15 HA LEU 15 6.759 -5.025 -1.103 279 HB2 LEU 15 HB2 LEU 15 4.930 -6.578 -2.943 280 HB3 LEU 15 HB1 LEU 15 5.212 -7.007 -1.254 281 HG LEU 15 HG LEU 15 4.252 -4.275 -2.150 282 HD11 LEU 15 HD11 LEU 15 2.616 -6.560 -1.023 283 HD12 LEU 15 HD12 LEU 15 2.618 -6.064 -2.717 284 HD13 LEU 15 HD13 LEU 15 2.017 -4.965 -1.475 285 HD21 LEU 15 HD21 LEU 15 4.765 -5.586 0.513 286 HD22 LEU 15 HD22 LEU 15 3.435 -4.431 0.391 287 HD23 LEU 15 HD23 LEU 15 5.075 -3.927 0.002 288 H ASP 16 HN ASP 16 7.287 -6.660 -4.178 289 HA ASP 16 HA ASP 16 8.614 -8.938 -3.178 290 HB2 ASP 16 HB2 ASP 16 8.755 -7.515 -5.837 291 HB3 ASP 16 HB1 ASP 16 9.621 -9.014 -5.509 292 H ASP 17 HN ASP 17 9.740 -5.720 -4.019 293 HA ASP 17 HA ASP 17 12.516 -6.222 -3.892 294 HB2 ASP 17 HB2 ASP 17 10.906 -3.696 -3.488 295 HB3 ASP 17 HB1 ASP 17 12.669 -3.732 -3.482 296 H SER 18 HN SER 18 10.185 -6.328 -1.478 297 HA SER 18 HA SER 18 11.427 -5.178 0.726 298 HB2 SER 18 HB2 SER 18 10.027 -6.651 2.078 299 HB3 SER 18 HB1 SER 18 9.102 -6.051 0.702 300 HG SER 18 HG SER 18 8.845 -8.054 0.164 301 H SER 19 HN SER 19 11.995 -8.203 -0.853 302 HA SER 19 HA SER 19 13.868 -9.091 1.217 303 HB2 SER 19 HB2 SER 19 12.994 -10.392 -1.363 304 HB3 SER 19 HB1 SER 19 14.125 -11.106 -0.217 305 HG SER 19 HG SER 19 11.609 -10.168 0.633 306 H SER 20 HN SER 20 13.911 -7.271 -1.584 307 HA SER 20 HA SER 20 16.614 -7.918 -2.417 308 HB2 SER 20 HB2 SER 20 16.332 -6.200 -4.082 309 HB3 SER 20 HB1 SER 20 14.855 -7.159 -4.023 310 HG SER 20 HG SER 20 15.096 -4.909 -2.371 311 H1 LYS 1 HN LYS 1 18.414 -6.537 -2.280 312 HA LYS 1 HA LYS 1 18.596 -5.061 0.181 313 HB2 LYS 1 HB2 LYS 1 20.552 -5.449 -2.097 314 HB3 LYS 1 HB1 LYS 1 20.934 -4.608 -0.593 315 HG2 LYS 1 HG2 LYS 1 20.399 -6.626 0.697 316 HG3 LYS 1 HG1 LYS 1 19.973 -7.477 -0.788 317 HD2 LYS 1 HD2 LYS 1 22.279 -7.167 -1.624 318 HD3 LYS 1 HD1 LYS 1 22.704 -6.335 -0.127 319 HE2 LYS 1 HE2 LYS 1 22.162 -8.356 1.167 320 HE3 LYS 1 HE1 LYS 1 21.704 -9.192 -0.318 321 HZ1 LYS 1 HZ1 LYS 1 24.358 -8.455 0.661 322 HZ2 LYS 1 HZ2 LYS 1 24.102 -8.413 -1.018 323 HZ3 LYS 1 HZ3 LYS 1 23.853 -9.854 -0.154 324 H ASN 2 HN ASN 2 16.973 -4.231 -2.361 325 HA ASN 2 HA ASN 2 18.047 -1.840 -3.327 326 HB2 ASN 2 HB2 ASN 2 15.143 -2.652 -3.044 327 HB3 ASN 2 HB1 ASN 2 15.714 -1.296 -4.012 328 HD21 ASN 2 HD21 ASN 2 14.445 -4.036 -4.702 329 HD22 ASN 2 HD22 ASN 2 15.479 -4.655 -5.903 330 HA PRO 3 HA PRO 3 17.480 1.013 0.043 331 HB2 PRO 3 HB2 PRO 3 17.041 3.352 -1.374 332 HB3 PRO 3 HB1 PRO 3 18.640 2.607 -1.172 333 HG2 PRO 3 HG2 PRO 3 16.758 2.449 -3.488 334 HG3 PRO 3 HG1 PRO 3 18.520 2.643 -3.482 335 HD2 PRO 3 HD2 PRO 3 17.358 0.260 -3.988 336 HD3 PRO 3 HD1 PRO 3 18.907 0.378 -3.135 337 H GLU 4 HN GLU 4 15.053 0.513 -2.354 338 HA GLU 4 HA GLU 4 12.999 2.162 -1.325 339 HB2 GLU 4 HB2 GLU 4 12.868 -0.382 -2.958 340 HB3 GLU 4 HB1 GLU 4 11.473 0.637 -2.597 341 HG2 GLU 4 HG2 GLU 4 12.562 2.548 -3.692 342 HG3 GLU 4 HG1 GLU 4 13.984 1.561 -4.024 343 H ALA 5 HN ALA 5 14.467 -0.606 -0.071 344 HA ALA 5 HA ALA 5 12.399 -2.024 1.133 345 HB1 ALA 5 HB1 ALA 5 15.066 -1.502 2.446 346 HB2 ALA 5 HB2 ALA 5 14.885 -2.594 1.072 347 HB3 ALA 5 HB3 ALA 5 14.045 -2.934 2.586 348 H GLU 6 HN GLU 6 13.806 1.062 1.965 349 HA GLU 6 HA GLU 6 12.878 1.272 4.631 350 HB2 GLU 6 HB2 GLU 6 13.458 3.353 2.515 351 HB3 GLU 6 HB1 GLU 6 13.034 3.758 4.179 352 HG2 GLU 6 HG2 GLU 6 14.957 2.515 5.011 353 HG3 GLU 6 HG1 GLU 6 15.351 1.977 3.380 354 H GLU 7 HN GLU 7 11.384 1.983 1.503 355 HA GLU 7 HA GLU 7 9.041 3.216 2.520 356 HB2 GLU 7 HB2 GLU 7 9.827 3.365 0.141 357 HB3 GLU 7 HB1 GLU 7 9.316 1.691 -0.079 358 HG2 GLU 7 HG2 GLU 7 7.526 3.151 -0.835 359 HG3 GLU 7 HG1 GLU 7 7.007 2.353 0.648 360 H ILE 8 HN ILE 8 9.888 -0.121 1.762 361 HA ILE 8 HA ILE 8 7.311 -1.250 2.089 362 HB ILE 8 HB ILE 8 10.115 -2.332 2.312 363 HG12 ILE 8 HG12 ILE 8 9.306 -3.717 0.381 364 HG13 ILE 8 HG11 ILE 8 7.765 -2.864 0.458 365 HG21 ILE 8 HG21 ILE 8 7.549 -3.725 3.069 366 HG22 ILE 8 HG22 ILE 8 9.068 -3.664 3.956 367 HG23 ILE 8 HG23 ILE 8 8.946 -4.627 2.486 368 HD11 ILE 8 HD11 ILE 8 8.806 -0.773 -0.091 369 HD12 ILE 8 HD12 ILE 8 9.435 -1.962 -1.236 370 HD13 ILE 8 HD13 ILE 8 10.412 -1.457 0.136 371 H THR 9 HN THR 9 9.904 -0.589 4.413 372 HA THR 9 HA THR 9 8.729 -1.832 6.645 373 HB THR 9 HB THR 9 10.530 0.600 6.516 374 HG1 THR 9 HG1 THR 9 10.989 -2.184 6.748 375 HG21 THR 9 HG21 THR 9 11.117 -0.160 8.860 376 HG22 THR 9 HG22 THR 9 9.714 -1.225 8.784 377 HG23 THR 9 HG23 THR 9 9.501 0.522 8.681 378 H ARG 10 HN ARG 10 8.436 1.450 5.342 379 HA ARG 10 HA ARG 10 6.753 2.495 7.369 380 HB2 ARG 10 HB2 ARG 10 7.165 3.243 4.471 381 HB3 ARG 10 HB1 ARG 10 6.101 4.142 5.552 382 HG2 ARG 10 HG2 ARG 10 7.890 4.750 6.991 383 HG3 ARG 10 HG1 ARG 10 8.981 3.569 6.264 384 HD2 ARG 10 HD2 ARG 10 9.361 5.965 5.533 385 HD3 ARG 10 HD1 ARG 10 9.109 4.816 4.223 386 HE ARG 10 HE ARG 10 7.081 5.866 3.740 387 HH11 ARG 10 HH11 ARG 10 5.610 7.573 3.970 388 HH12 ARG 10 HH12 ARG 10 5.685 8.596 5.367 389 HH21 ARG 10 HH21 ARG 10 8.378 6.920 6.769 390 HH22 ARG 10 HH22 ARG 10 7.255 8.226 6.953 391 H CYS 11 HN CYS 11 6.115 0.754 4.362 392 HA CYS 11 HA CYS 11 3.352 1.059 4.190 393 HB2 CYS 11 HB2 CYS 11 5.003 -0.126 2.582 394 HB3 CYS 11 HB1 CYS 11 4.704 -1.558 3.566 395 H LYS 12 HN LYS 12 5.235 -1.389 5.958 396 HA LYS 12 HA LYS 12 3.035 -2.839 6.965 397 HB2 LYS 12 HB2 LYS 12 5.846 -2.466 8.022 398 HB3 LYS 12 HB1 LYS 12 4.683 -3.590 8.727 399 HG2 LYS 12 HG2 LYS 12 4.466 -4.732 6.546 400 HG3 LYS 12 HG1 LYS 12 5.638 -3.614 5.848 401 HD2 LYS 12 HD2 LYS 12 7.333 -4.386 7.484 402 HD3 LYS 12 HD1 LYS 12 6.163 -5.533 8.138 403 HE2 LYS 12 HE2 LYS 12 7.140 -5.485 5.267 404 HE3 LYS 12 HE1 LYS 12 7.685 -6.615 6.506 405 HZ1 LYS 12 HZ1 LYS 12 5.463 -6.850 4.862 406 HZ2 LYS 12 HZ2 LYS 12 4.866 -6.569 6.427 407 HZ3 LYS 12 HZ3 LYS 12 5.918 -7.871 6.139 408 H LYS 13 HN LYS 13 4.820 -0.055 8.239 409 HA LYS 13 HA LYS 13 3.479 0.076 10.740 410 HB2 LYS 13 HB2 LYS 13 4.818 2.245 9.110 411 HB3 LYS 13 HB1 LYS 13 4.318 2.412 10.793 412 HG2 LYS 13 HG2 LYS 13 6.269 0.324 9.782 413 HG3 LYS 13 HG1 LYS 13 6.743 1.838 10.548 414 HD2 LYS 13 HD2 LYS 13 5.219 1.068 12.515 415 HD3 LYS 13 HD1 LYS 13 5.315 -0.528 11.772 416 HE2 LYS 13 HE2 LYS 13 7.673 1.146 12.647 417 HE3 LYS 13 HE1 LYS 13 7.050 -0.287 13.464 418 HZ1 LYS 13 HZ1 LYS 13 8.914 -0.848 12.053 419 HZ2 LYS 13 HZ2 LYS 13 8.125 -0.195 10.698 420 HZ3 LYS 13 HZ3 LYS 13 7.499 -1.576 11.466 421 H LEU 14 HN LEU 14 2.815 1.523 7.594 422 HA LEU 14 HA LEU 14 0.664 3.158 8.416 423 HB2 LEU 14 HB2 LEU 14 1.367 1.903 5.761 424 HB3 LEU 14 HB1 LEU 14 0.013 3.015 5.963 425 HG LEU 14 HG LEU 14 2.851 3.692 6.792 426 HD11 LEU 14 HD11 LEU 14 1.403 4.341 4.205 427 HD12 LEU 14 HD12 LEU 14 2.817 3.302 4.374 428 HD13 LEU 14 HD13 LEU 14 2.949 5.029 4.697 429 HD21 LEU 14 HD21 LEU 14 0.238 5.196 6.609 430 HD22 LEU 14 HD22 LEU 14 1.755 6.070 6.384 431 HD23 LEU 14 HD23 LEU 14 1.447 5.220 7.894 432 H LEU 15 HN LEU 15 0.782 -0.165 7.228 433 HA LEU 15 HA LEU 15 -2.017 -0.579 7.143 434 HB2 LEU 15 HB2 LEU 15 0.300 -2.499 7.428 435 HB3 LEU 15 HB1 LEU 15 -1.376 -3.015 7.220 436 HG LEU 15 HG LEU 15 0.046 -1.137 5.311 437 HD11 LEU 15 HD11 LEU 15 -0.441 -4.109 5.000 438 HD12 LEU 15 HD12 LEU 15 1.120 -3.380 5.376 439 HD13 LEU 15 HD13 LEU 15 0.339 -3.046 3.830 440 HD21 LEU 15 HD21 LEU 15 -2.669 -2.442 5.393 441 HD22 LEU 15 HD22 LEU 15 -1.905 -2.191 3.821 442 HD23 LEU 15 HD23 LEU 15 -2.223 -0.816 4.873 443 H ASP 16 HN ASP 16 0.392 -1.052 9.666 444 HA ASP 16 HA ASP 16 -1.259 -2.377 11.528 445 HB2 ASP 16 HB2 ASP 16 1.190 -0.642 11.868 446 HB3 ASP 16 HB1 ASP 16 0.404 -1.469 13.212 447 H ASP 17 HN ASP 17 -0.726 1.021 10.826 448 HA ASP 17 HA ASP 17 -2.060 2.107 13.065 449 HB2 ASP 17 HB2 ASP 17 -1.543 3.212 10.299 450 HB3 ASP 17 HB1 ASP 17 -2.301 4.147 11.589 451 H SER 18 HN SER 18 -3.254 0.293 10.503 452 HA SER 18 HA SER 18 -5.678 1.499 9.881 453 HB2 SER 18 HB2 SER 18 -6.416 -0.720 9.185 454 HB3 SER 18 HB1 SER 18 -4.733 -0.485 8.718 455 HG SER 18 HG SER 18 -4.298 -2.151 9.901 456 H SER 19 HN SER 19 -4.734 -0.368 12.636 457 HA SER 19 HA SER 19 -7.465 -0.454 13.691 458 HB2 SER 19 HB2 SER 19 -4.868 -1.500 14.821 459 HB3 SER 19 HB1 SER 19 -6.442 -1.688 15.588 460 HG SER 19 HG SER 19 -6.089 -2.444 12.906 461 H SER 20 HN SER 20 -4.817 1.582 13.762 462 HA SER 20 HA SER 20 -5.258 2.692 16.406 463 HB2 SER 20 HB2 SER 20 -3.508 4.249 15.868 464 HB3 SER 20 HB1 SER 20 -3.008 2.657 15.305 465 HG SER 20 HG SER 20 -4.447 4.318 13.574 466 H2 ZBR 100 HA3 TBS 100 -1.445 0.515 -2.064 467 H4 ZBR 100 HC3 TBS 100 0.450 1.165 1.769 468 H6 ZBR 100 HB3 TBS 100 2.761 -0.356 -1.563 469 H7 ZBR 100 HB11 TBS 100 1.536 0.117 -3.907 470 H7A ZBR 100 HB12 TBS 100 -0.201 -0.210 -3.903 471 H8 ZBR 100 HA11 TBS 100 -2.366 2.124 -0.147 472 H8A ZBR 100 HA12 TBS 100 -1.797 1.750 1.487 473 H9 ZBR 100 HC11 TBS 100 3.122 1.307 1.534 474 H9A ZBR 100 HC12 TBS 100 3.833 0.087 0.470 Start of MODEL 9 1 H1 LYS 1 HN LYS 1 -6.461 5.056 16.818 2 HA LYS 1 HA LYS 1 -8.455 5.829 14.892 3 HB2 LYS 1 HB2 LYS 1 -7.554 7.329 17.363 4 HB3 LYS 1 HB1 LYS 1 -9.093 7.495 16.522 5 HG2 LYS 1 HG2 LYS 1 -8.156 4.940 17.860 6 HG3 LYS 1 HG1 LYS 1 -9.245 6.107 18.611 7 HD2 LYS 1 HD2 LYS 1 -10.794 5.805 16.639 8 HD3 LYS 1 HD1 LYS 1 -9.749 4.497 16.092 9 HE2 LYS 1 HE2 LYS 1 -11.575 3.550 17.357 10 HE3 LYS 1 HE1 LYS 1 -10.077 3.358 18.271 11 HZ1 LYS 1 HZ1 LYS 1 -10.634 5.172 19.651 12 HZ2 LYS 1 HZ2 LYS 1 -12.026 4.202 19.565 13 HZ3 LYS 1 HZ3 LYS 1 -11.930 5.636 18.659 14 H ASN 2 HN ASN 2 -5.344 6.101 14.634 15 HA ASN 2 HA ASN 2 -4.811 8.793 14.354 16 HB2 ASN 2 HB2 ASN 2 -3.154 6.848 14.359 17 HB3 ASN 2 HB1 ASN 2 -3.471 6.733 12.630 18 HD21 ASN 2 HD21 ASN 2 -1.840 7.827 11.506 19 HD22 ASN 2 HD22 ASN 2 -1.132 9.291 11.987 20 HA PRO 3 HA PRO 3 -7.166 9.912 10.675 21 HB2 PRO 3 HB2 PRO 3 -4.826 11.700 10.081 22 HB3 PRO 3 HB1 PRO 3 -6.550 12.104 10.198 23 HG2 PRO 3 HG2 PRO 3 -4.850 12.757 12.136 24 HG3 PRO 3 HG1 PRO 3 -6.502 12.227 12.501 25 HD2 PRO 3 HD2 PRO 3 -3.928 10.729 12.782 26 HD3 PRO 3 HD1 PRO 3 -5.399 10.694 13.778 27 H GLU 4 HN GLU 4 -3.825 8.900 10.556 28 HA GLU 4 HA GLU 4 -3.457 8.742 7.765 29 HB2 GLU 4 HB2 GLU 4 -2.237 7.138 10.014 30 HB3 GLU 4 HB1 GLU 4 -1.701 7.041 8.339 31 HG2 GLU 4 HG2 GLU 4 -1.179 9.429 8.328 32 HG3 GLU 4 HG1 GLU 4 -1.781 9.594 9.976 33 H ALA 5 HN ALA 5 -5.447 6.946 9.852 34 HA ALA 5 HA ALA 5 -5.460 4.399 8.682 35 HB1 ALA 5 HB1 ALA 5 -7.650 4.120 9.689 36 HB2 ALA 5 HB2 ALA 5 -7.836 5.866 9.853 37 HB3 ALA 5 HB3 ALA 5 -6.621 5.016 10.808 38 H GLU 6 HN GLU 6 -6.788 7.429 7.605 39 HA GLU 6 HA GLU 6 -8.724 6.495 5.786 40 HB2 GLU 6 HB2 GLU 6 -7.012 8.988 5.772 41 HB3 GLU 6 HB1 GLU 6 -8.321 8.699 4.626 42 HG2 GLU 6 HG2 GLU 6 -9.918 8.487 6.484 43 HG3 GLU 6 HG1 GLU 6 -8.614 8.738 7.643 44 H GLU 7 HN GLU 7 -5.235 6.963 5.472 45 HA GLU 7 HA GLU 7 -5.045 6.594 2.690 46 HB2 GLU 7 HB2 GLU 7 -3.224 7.457 4.209 47 HB3 GLU 7 HB1 GLU 7 -2.970 5.793 4.735 48 HG2 GLU 7 HG2 GLU 7 -1.396 6.269 2.955 49 HG3 GLU 7 HG1 GLU 7 -2.610 5.152 2.333 50 H ILE 8 HN ILE 8 -5.051 4.314 5.372 51 HA ILE 8 HA ILE 8 -4.390 1.991 3.904 52 HB ILE 8 HB ILE 8 -5.858 2.456 6.505 53 HG12 ILE 8 HG12 ILE 8 -3.833 1.393 7.429 54 HG13 ILE 8 HG11 ILE 8 -3.218 1.125 5.799 55 HG21 ILE 8 HG21 ILE 8 -6.912 0.470 5.747 56 HG22 ILE 8 HG22 ILE 8 -5.578 -0.119 6.732 57 HG23 ILE 8 HG23 ILE 8 -5.444 -0.122 4.977 58 HD11 ILE 8 HD11 ILE 8 -2.886 3.433 5.417 59 HD12 ILE 8 HD12 ILE 8 -2.350 3.203 7.078 60 HD13 ILE 8 HD13 ILE 8 -3.937 3.899 6.755 61 H THR 9 HN THR 9 -7.475 3.564 4.634 62 HA THR 9 HA THR 9 -9.188 1.589 3.599 63 HB THR 9 HB THR 9 -9.545 4.596 3.651 64 HG1 THR 9 HG1 THR 9 -10.011 2.492 5.457 65 HG21 THR 9 HG21 THR 9 -11.144 3.689 2.123 66 HG22 THR 9 HG22 THR 9 -11.997 3.925 3.647 67 HG23 THR 9 HG23 THR 9 -11.466 2.311 3.174 68 H ARG 10 HN ARG 10 -7.537 4.307 2.039 69 HA ARG 10 HA ARG 10 -8.693 4.022 -0.530 70 HB2 ARG 10 HB2 ARG 10 -6.059 5.159 0.412 71 HB3 ARG 10 HB1 ARG 10 -6.567 5.200 -1.276 72 HG2 ARG 10 HG2 ARG 10 -8.485 6.530 -0.765 73 HG3 ARG 10 HG1 ARG 10 -8.281 6.276 0.969 74 HD2 ARG 10 HD2 ARG 10 -7.481 8.517 0.202 75 HD3 ARG 10 HD1 ARG 10 -6.226 7.558 0.972 76 HE ARG 10 HE ARG 10 -5.133 7.381 -1.084 77 HH11 ARG 10 HH11 ARG 10 -4.824 8.035 -3.238 78 HH12 ARG 10 HH12 ARG 10 -6.095 8.853 -4.084 79 HH21 ARG 10 HH21 ARG 10 -8.294 8.759 -1.404 80 HH22 ARG 10 HH22 ARG 10 -8.062 9.263 -3.045 81 H CYS 11 HN CYS 11 -5.839 2.569 0.981 82 HA CYS 11 HA CYS 11 -4.791 1.282 -1.286 83 HB2 CYS 11 HB2 CYS 11 -4.650 0.717 1.660 84 HB3 CYS 11 HB1 CYS 11 -3.908 -0.375 0.493 85 H LYS 12 HN LYS 12 -7.240 0.236 1.060 86 HA LYS 12 HA LYS 12 -7.561 -2.399 0.129 87 HB2 LYS 12 HB2 LYS 12 -8.522 -1.540 2.249 88 HB3 LYS 12 HB1 LYS 12 -9.664 -0.571 1.317 89 HG2 LYS 12 HG2 LYS 12 -10.605 -2.599 0.310 90 HG3 LYS 12 HG1 LYS 12 -9.435 -3.592 1.179 91 HD2 LYS 12 HD2 LYS 12 -10.361 -2.797 3.325 92 HD3 LYS 12 HD1 LYS 12 -11.542 -1.821 2.449 93 HE2 LYS 12 HE2 LYS 12 -12.459 -3.864 1.408 94 HE3 LYS 12 HE1 LYS 12 -11.279 -4.837 2.285 95 HZ1 LYS 12 HZ1 LYS 12 -13.665 -4.459 3.234 96 HZ2 LYS 12 HZ2 LYS 12 -12.993 -3.005 3.799 97 HZ3 LYS 12 HZ3 LYS 12 -12.320 -4.492 4.268 98 H LYS 13 HN LYS 13 -9.212 0.608 -0.797 99 HA LYS 13 HA LYS 13 -10.939 -0.558 -2.720 100 HB2 LYS 13 HB2 LYS 13 -11.297 1.694 -1.765 101 HB3 LYS 13 HB1 LYS 13 -9.867 2.270 -2.623 102 HG2 LYS 13 HG2 LYS 13 -10.904 1.690 -4.779 103 HG3 LYS 13 HG1 LYS 13 -12.322 1.061 -3.938 104 HD2 LYS 13 HD2 LYS 13 -12.743 3.296 -2.980 105 HD3 LYS 13 HD1 LYS 13 -11.332 3.924 -3.831 106 HE2 LYS 13 HE2 LYS 13 -12.355 3.330 -5.990 107 HE3 LYS 13 HE1 LYS 13 -13.764 2.681 -5.151 108 HZ1 LYS 13 HZ1 LYS 13 -13.288 5.259 -4.186 109 HZ2 LYS 13 HZ2 LYS 13 -14.613 4.707 -5.095 110 HZ3 LYS 13 HZ3 LYS 13 -13.244 5.336 -5.880 111 H LEU 14 HN LEU 14 -7.686 0.810 -2.920 112 HA LEU 14 HA LEU 14 -7.427 0.779 -5.718 113 HB2 LEU 14 HB2 LEU 14 -5.457 0.639 -3.442 114 HB3 LEU 14 HB1 LEU 14 -4.913 0.600 -5.118 115 HG LEU 14 HG LEU 14 -6.798 2.768 -4.160 116 HD11 LEU 14 HD11 LEU 14 -5.037 3.118 -2.641 117 HD12 LEU 14 HD12 LEU 14 -4.589 4.153 -3.992 118 HD13 LEU 14 HD13 LEU 14 -3.807 2.584 -3.784 119 HD21 LEU 14 HD21 LEU 14 -4.822 2.440 -6.442 120 HD22 LEU 14 HD22 LEU 14 -5.492 4.007 -6.002 121 HD23 LEU 14 HD23 LEU 14 -6.561 2.720 -6.550 122 H LEU 15 HN LEU 15 -6.714 -1.685 -3.290 123 HA LEU 15 HA LEU 15 -5.549 -3.560 -5.054 124 HB2 LEU 15 HB2 LEU 15 -6.995 -3.895 -2.420 125 HB3 LEU 15 HB1 LEU 15 -6.176 -5.216 -3.256 126 HG LEU 15 HG LEU 15 -4.823 -2.615 -2.488 127 HD11 LEU 15 HD11 LEU 15 -3.764 -3.945 -0.672 128 HD12 LEU 15 HD12 LEU 15 -4.833 -5.289 -1.068 129 HD13 LEU 15 HD13 LEU 15 -5.508 -3.777 -0.459 130 HD21 LEU 15 HD21 LEU 15 -3.446 -3.500 -4.130 131 HD22 LEU 15 HD22 LEU 15 -3.919 -5.166 -3.800 132 HD23 LEU 15 HD23 LEU 15 -2.792 -4.334 -2.726 133 H ASP 16 HN ASP 16 -8.879 -3.009 -4.023 134 HA ASP 16 HA ASP 16 -10.025 -5.265 -5.283 135 HB2 ASP 16 HB2 ASP 16 -11.166 -2.583 -4.497 136 HB3 ASP 16 HB1 ASP 16 -12.144 -3.872 -5.196 137 H ASP 17 HN ASP 17 -9.307 -2.014 -6.414 138 HA ASP 17 HA ASP 17 -10.667 -2.162 -8.888 139 HB2 ASP 17 HB2 ASP 17 -8.328 -0.486 -7.968 140 HB3 ASP 17 HB1 ASP 17 -9.079 -0.308 -9.552 141 H SER 18 HN SER 18 -7.966 -3.823 -7.769 142 HA SER 18 HA SER 18 -6.297 -3.948 -9.991 143 HB2 SER 18 HB2 SER 18 -5.467 -6.041 -9.043 144 HB3 SER 18 HB1 SER 18 -5.737 -4.865 -7.759 145 HG SER 18 HG SER 18 -7.634 -6.810 -8.577 146 H SER 19 HN SER 19 -9.283 -5.549 -9.320 147 HA SER 19 HA SER 19 -9.064 -7.336 -11.603 148 HB2 SER 19 HB2 SER 19 -11.332 -6.805 -9.685 149 HB3 SER 19 HB1 SER 19 -11.400 -7.985 -10.990 150 HG SER 19 HG SER 19 -10.283 -9.287 -9.788 151 H SER 20 HN SER 20 -10.136 -4.201 -11.003 152 HA SER 20 HA SER 20 -12.031 -4.054 -13.197 153 HB2 SER 20 HB2 SER 20 -12.094 -2.638 -11.056 154 HB3 SER 20 HB1 SER 20 -10.806 -1.687 -11.792 155 HG SER 20 HG SER 20 -13.282 -1.295 -12.178 156 H1 LYS 1 HN LYS 1 -11.749 -2.855 -15.113 157 HA LYS 1 HA LYS 1 -9.094 -3.027 -16.227 158 HB2 LYS 1 HB2 LYS 1 -11.559 -1.767 -17.451 159 HB3 LYS 1 HB1 LYS 1 -10.136 -2.368 -18.295 160 HG2 LYS 1 HG2 LYS 1 -11.973 -4.122 -16.640 161 HG3 LYS 1 HG1 LYS 1 -12.102 -3.939 -18.389 162 HD2 LYS 1 HD2 LYS 1 -9.697 -4.700 -18.556 163 HD3 LYS 1 HD1 LYS 1 -9.759 -5.067 -16.834 164 HE2 LYS 1 HE2 LYS 1 -10.233 -7.084 -18.094 165 HE3 LYS 1 HE1 LYS 1 -11.688 -6.566 -17.239 166 HZ1 LYS 1 HZ1 LYS 1 -12.579 -5.655 -19.205 167 HZ2 LYS 1 HZ2 LYS 1 -11.998 -7.194 -19.631 168 HZ3 LYS 1 HZ3 LYS 1 -11.110 -5.804 -20.042 169 H ASN 2 HN ASN 2 -10.157 -0.996 -14.085 170 HA ASN 2 HA ASN 2 -9.900 1.522 -15.182 171 HB2 ASN 2 HB2 ASN 2 -10.766 0.894 -12.862 172 HB3 ASN 2 HB1 ASN 2 -9.080 0.943 -12.353 173 HD21 ASN 2 HD21 ASN 2 -8.660 2.951 -11.396 174 HD22 ASN 2 HD22 ASN 2 -9.264 4.439 -11.941 175 HA PRO 3 HA PRO 3 -5.494 1.785 -16.095 176 HB2 PRO 3 HB2 PRO 3 -5.783 4.651 -15.245 177 HB3 PRO 3 HB1 PRO 3 -5.132 3.985 -16.757 178 HG2 PRO 3 HG2 PRO 3 -7.539 5.109 -16.677 179 HG3 PRO 3 HG1 PRO 3 -7.225 3.680 -17.679 180 HD2 PRO 3 HD2 PRO 3 -8.672 3.882 -15.069 181 HD3 PRO 3 HD1 PRO 3 -8.974 2.843 -16.478 182 H GLU 4 HN GLU 4 -6.864 2.871 -13.072 183 HA GLU 4 HA GLU 4 -4.505 3.461 -11.648 184 HB2 GLU 4 HB2 GLU 4 -7.186 2.442 -10.700 185 HB3 GLU 4 HB1 GLU 4 -5.901 2.969 -9.617 186 HG2 GLU 4 HG2 GLU 4 -5.902 5.192 -10.643 187 HG3 GLU 4 HG1 GLU 4 -7.138 4.684 -11.792 188 H ALA 5 HN ALA 5 -5.715 0.511 -12.822 189 HA ALA 5 HA ALA 5 -4.855 -1.335 -10.892 190 HB1 ALA 5 HB1 ALA 5 -4.882 -2.975 -12.681 191 HB2 ALA 5 HB2 ALA 5 -4.823 -1.701 -13.898 192 HB3 ALA 5 HB3 ALA 5 -6.255 -1.886 -12.885 193 H GLU 6 HN GLU 6 -3.088 0.567 -13.209 194 HA GLU 6 HA GLU 6 -0.708 -0.931 -13.358 195 HB2 GLU 6 HB2 GLU 6 -1.220 2.039 -13.592 196 HB3 GLU 6 HB1 GLU 6 0.349 1.299 -13.909 197 HG2 GLU 6 HG2 GLU 6 -0.661 -0.125 -15.642 198 HG3 GLU 6 HG1 GLU 6 -2.241 0.583 -15.312 199 H GLU 7 HN GLU 7 -1.852 1.451 -11.013 200 HA GLU 7 HA GLU 7 0.558 1.779 -9.595 201 HB2 GLU 7 HB2 GLU 7 -1.500 3.220 -9.387 202 HB3 GLU 7 HB1 GLU 7 -2.225 1.926 -8.432 203 HG2 GLU 7 HG2 GLU 7 -1.231 3.519 -6.902 204 HG3 GLU 7 HG1 GLU 7 -0.252 2.053 -6.877 205 H ILE 8 HN ILE 8 -2.064 -0.552 -9.275 206 HA ILE 8 HA ILE 8 -1.200 -1.779 -6.876 207 HB ILE 8 HB ILE 8 -2.909 -2.709 -9.191 208 HG12 ILE 8 HG12 ILE 8 -4.668 -2.620 -7.453 209 HG13 ILE 8 HG11 ILE 8 -3.463 -2.150 -6.256 210 HG21 ILE 8 HG21 ILE 8 -1.968 -4.768 -8.506 211 HG22 ILE 8 HG22 ILE 8 -3.448 -4.667 -7.558 212 HG23 ILE 8 HG23 ILE 8 -1.896 -4.281 -6.816 213 HD11 ILE 8 HD11 ILE 8 -3.121 -0.040 -7.244 214 HD12 ILE 8 HD12 ILE 8 -4.864 -0.271 -7.379 215 HD13 ILE 8 HD13 ILE 8 -3.829 -0.538 -8.782 216 H THR 9 HN THR 9 -0.434 -2.378 -10.279 217 HA THR 9 HA THR 9 1.050 -4.742 -9.945 218 HB THR 9 HB THR 9 1.402 -2.531 -11.983 219 HG1 THR 9 HG1 THR 9 -0.181 -4.859 -11.814 220 HG21 THR 9 HG21 THR 9 3.376 -3.859 -12.042 221 HG22 THR 9 HG22 THR 9 2.351 -4.489 -13.332 222 HG23 THR 9 HG23 THR 9 2.469 -5.351 -11.798 223 H ARG 10 HN ARG 10 1.994 -1.331 -9.769 224 HA ARG 10 HA ARG 10 4.777 -1.725 -9.441 225 HB2 ARG 10 HB2 ARG 10 2.914 0.495 -8.595 226 HB3 ARG 10 HB1 ARG 10 4.656 0.559 -8.332 227 HG2 ARG 10 HG2 ARG 10 5.109 0.448 -10.678 228 HG3 ARG 10 HG1 ARG 10 3.433 0.042 -11.049 229 HD2 ARG 10 HD2 ARG 10 3.985 2.437 -11.501 230 HD3 ARG 10 HD1 ARG 10 2.685 2.233 -10.336 231 HE ARG 10 HE ARG 10 4.082 3.082 -8.666 232 HH11 ARG 10 HH11 ARG 10 5.959 4.182 -8.011 233 HH12 ARG 10 HH12 ARG 10 7.319 4.282 -9.077 234 HH21 ARG 10 HH21 ARG 10 5.795 2.476 -11.615 235 HH22 ARG 10 HH22 ARG 10 7.226 3.316 -11.120 236 H CYS 11 HN CYS 11 2.098 -1.588 -7.129 237 HA CYS 11 HA CYS 11 3.604 -1.606 -4.754 238 HB2 CYS 11 HB2 CYS 11 0.841 -2.551 -5.463 239 HB3 CYS 11 HB1 CYS 11 1.490 -2.793 -3.842 240 H LYS 12 HN LYS 12 2.425 -4.266 -6.786 241 HA LYS 12 HA LYS 12 3.188 -6.393 -5.118 242 HB2 LYS 12 HB2 LYS 12 1.741 -6.634 -7.121 243 HB3 LYS 12 HB1 LYS 12 3.144 -6.324 -8.146 244 HG2 LYS 12 HG2 LYS 12 4.275 -8.303 -7.238 245 HG3 LYS 12 HG1 LYS 12 2.914 -8.604 -6.158 246 HD2 LYS 12 HD2 LYS 12 1.431 -8.880 -8.114 247 HD3 LYS 12 HD1 LYS 12 2.802 -8.596 -9.188 248 HE2 LYS 12 HE2 LYS 12 3.952 -10.567 -8.244 249 HE3 LYS 12 HE1 LYS 12 2.581 -10.849 -7.172 250 HZ1 LYS 12 HZ1 LYS 12 2.777 -12.035 -9.492 251 HZ2 LYS 12 HZ2 LYS 12 2.048 -10.600 -10.035 252 HZ3 LYS 12 HZ3 LYS 12 1.273 -11.562 -8.867 253 H LYS 13 HN LYS 13 4.966 -4.724 -7.700 254 HA LYS 13 HA LYS 13 7.328 -6.280 -7.506 255 HB2 LYS 13 HB2 LYS 13 6.810 -4.857 -9.453 256 HB3 LYS 13 HB1 LYS 13 7.024 -3.422 -8.451 257 HG2 LYS 13 HG2 LYS 13 9.359 -4.049 -8.011 258 HG3 LYS 13 HG1 LYS 13 9.156 -5.521 -8.963 259 HD2 LYS 13 HD2 LYS 13 8.650 -4.160 -10.956 260 HD3 LYS 13 HD1 LYS 13 8.865 -2.689 -10.004 261 HE2 LYS 13 HE2 LYS 13 11.202 -3.333 -9.536 262 HE3 LYS 13 HE1 LYS 13 10.987 -4.803 -10.487 263 HZ1 LYS 13 HZ1 LYS 13 10.126 -2.645 -12.032 264 HZ2 LYS 13 HZ2 LYS 13 11.472 -3.650 -12.294 265 HZ3 LYS 13 HZ3 LYS 13 11.637 -2.226 -11.383 266 H LEU 14 HN LEU 14 6.270 -3.305 -5.915 267 HA LEU 14 HA LEU 14 8.692 -2.670 -4.643 268 HB2 LEU 14 HB2 LEU 14 5.801 -2.095 -4.025 269 HB3 LEU 14 HB1 LEU 14 7.087 -1.509 -2.973 270 HG LEU 14 HG LEU 14 7.193 -1.002 -5.958 271 HD11 LEU 14 HD11 LEU 14 5.104 -0.021 -5.492 272 HD12 LEU 14 HD12 LEU 14 6.220 1.322 -5.267 273 HD13 LEU 14 HD13 LEU 14 5.578 0.461 -3.865 274 HD21 LEU 14 HD21 LEU 14 8.368 0.303 -3.478 275 HD22 LEU 14 HD22 LEU 14 8.414 1.066 -5.064 276 HD23 LEU 14 HD23 LEU 14 9.242 -0.467 -4.804 277 H LEU 15 HN LEU 15 5.988 -4.697 -3.614 278 HA LEU 15 HA LEU 15 6.949 -5.233 -1.011 279 HB2 LEU 15 HB2 LEU 15 5.134 -6.798 -2.852 280 HB3 LEU 15 HB1 LEU 15 5.439 -7.245 -1.173 281 HG LEU 15 HG LEU 15 4.396 -4.532 -2.031 282 HD11 LEU 15 HD11 LEU 15 2.201 -5.347 -1.175 283 HD12 LEU 15 HD12 LEU 15 2.898 -6.960 -1.016 284 HD13 LEU 15 HD13 LEU 15 2.743 -6.220 -2.610 285 HD21 LEU 15 HD21 LEU 15 5.256 -4.178 0.101 286 HD22 LEU 15 HD22 LEU 15 4.973 -5.840 0.619 287 HD23 LEU 15 HD23 LEU 15 3.627 -4.703 0.510 288 H ASP 16 HN ASP 16 7.437 -6.842 -4.110 289 HA ASP 16 HA ASP 16 8.864 -9.078 -3.134 290 HB2 ASP 16 HB2 ASP 16 8.854 -7.692 -5.815 291 HB3 ASP 16 HB1 ASP 16 9.785 -9.154 -5.499 292 H ASP 17 HN ASP 17 9.866 -5.844 -4.083 293 HA ASP 17 HA ASP 17 12.659 -6.277 -4.026 294 HB2 ASP 17 HB2 ASP 17 10.996 -3.778 -3.688 295 HB3 ASP 17 HB1 ASP 17 12.758 -3.767 -3.723 296 H SER 18 HN SER 18 10.391 -6.294 -1.541 297 HA SER 18 HA SER 18 11.713 -5.046 0.564 298 HB2 SER 18 HB2 SER 18 10.323 -6.400 2.029 299 HB3 SER 18 HB1 SER 18 9.377 -5.889 0.633 300 HG SER 18 HG SER 18 10.760 -8.358 0.814 301 H SER 19 HN SER 19 12.190 -8.149 -0.888 302 HA SER 19 HA SER 19 14.015 -9.052 1.192 303 HB2 SER 19 HB2 SER 19 13.256 -10.234 -1.475 304 HB3 SER 19 HB1 SER 19 14.392 -10.987 -0.362 305 HG SER 19 HG SER 19 12.766 -11.621 0.805 306 H SER 20 HN SER 20 14.196 -7.243 -1.649 307 HA SER 20 HA SER 20 16.991 -7.782 -2.217 308 HB2 SER 20 HB2 SER 20 15.204 -7.072 -3.928 309 HB3 SER 20 HB1 SER 20 15.420 -5.444 -3.292 310 HG SER 20 HG SER 20 16.825 -6.411 -5.137 311 H1 LYS 1 HN LYS 1 18.707 -6.327 -1.926 312 HA LYS 1 HA LYS 1 18.563 -4.772 0.489 313 HB2 LYS 1 HB2 LYS 1 20.808 -4.862 -1.539 314 HB3 LYS 1 HB1 LYS 1 20.919 -4.410 0.159 315 HG2 LYS 1 HG2 LYS 1 20.100 -7.162 -0.820 316 HG3 LYS 1 HG1 LYS 1 21.728 -6.741 -0.290 317 HD2 LYS 1 HD2 LYS 1 20.732 -6.039 1.925 318 HD3 LYS 1 HD1 LYS 1 19.195 -6.698 1.374 319 HE2 LYS 1 HE2 LYS 1 20.353 -8.363 2.704 320 HE3 LYS 1 HE1 LYS 1 20.269 -8.893 1.024 321 HZ1 LYS 1 HZ1 LYS 1 22.498 -8.270 0.663 322 HZ2 LYS 1 HZ2 LYS 1 22.489 -9.133 2.127 323 HZ3 LYS 1 HZ3 LYS 1 22.592 -7.438 2.139 324 H ASN 2 HN ASN 2 17.223 -4.107 -2.264 325 HA ASN 2 HA ASN 2 18.288 -1.700 -3.095 326 HB2 ASN 2 HB2 ASN 2 16.530 -3.128 -4.268 327 HB3 ASN 2 HB1 ASN 2 15.348 -2.280 -3.275 328 HD21 ASN 2 HD21 ASN 2 14.446 -0.601 -4.491 329 HD22 ASN 2 HD22 ASN 2 15.296 0.406 -5.556 330 HA PRO 3 HA PRO 3 17.240 1.077 0.298 331 HB2 PRO 3 HB2 PRO 3 16.831 3.108 -1.875 332 HB3 PRO 3 HB1 PRO 3 17.861 3.196 -0.432 333 HG2 PRO 3 HG2 PRO 3 18.908 2.794 -2.843 334 HG3 PRO 3 HG1 PRO 3 19.562 1.983 -1.408 335 HD2 PRO 3 HD2 PRO 3 17.849 0.872 -3.595 336 HD3 PRO 3 HD1 PRO 3 19.165 0.122 -2.664 337 H GLU 4 HN GLU 4 15.201 0.665 -2.509 338 HA GLU 4 HA GLU 4 12.955 2.166 -1.713 339 HB2 GLU 4 HB2 GLU 4 13.167 -0.306 -3.432 340 HB3 GLU 4 HB1 GLU 4 11.687 0.629 -3.241 341 HG2 GLU 4 HG2 GLU 4 12.800 2.632 -4.105 342 HG3 GLU 4 HG1 GLU 4 14.321 1.752 -4.246 343 H ALA 5 HN ALA 5 14.286 -0.685 -0.435 344 HA ALA 5 HA ALA 5 12.030 -2.083 0.471 345 HB1 ALA 5 HB1 ALA 5 13.515 -3.100 2.104 346 HB2 ALA 5 HB2 ALA 5 14.694 -1.807 1.883 347 HB3 ALA 5 HB3 ALA 5 14.370 -2.938 0.570 348 H GLU 6 HN GLU 6 13.511 0.863 1.581 349 HA GLU 6 HA GLU 6 12.505 0.957 4.208 350 HB2 GLU 6 HB2 GLU 6 13.167 3.159 2.242 351 HB3 GLU 6 HB1 GLU 6 12.734 3.457 3.926 352 HG2 GLU 6 HG2 GLU 6 14.617 2.063 4.672 353 HG3 GLU 6 HG1 GLU 6 15.038 1.720 2.995 354 H GLU 7 HN GLU 7 11.074 1.854 1.103 355 HA GLU 7 HA GLU 7 8.794 3.173 2.096 356 HB2 GLU 7 HB2 GLU 7 9.599 3.182 -0.295 357 HB3 GLU 7 HB1 GLU 7 8.946 1.551 -0.448 358 HG2 GLU 7 HG2 GLU 7 7.271 3.110 -1.245 359 HG3 GLU 7 HG1 GLU 7 6.714 2.442 0.287 360 H ILE 8 HN ILE 8 9.441 -0.225 1.415 361 HA ILE 8 HA ILE 8 6.816 -1.200 1.803 362 HB ILE 8 HB ILE 8 9.556 -2.456 2.017 363 HG12 ILE 8 HG12 ILE 8 8.734 -3.698 0.032 364 HG13 ILE 8 HG11 ILE 8 7.192 -2.851 0.150 365 HG21 ILE 8 HG21 ILE 8 8.382 -3.743 3.615 366 HG22 ILE 8 HG22 ILE 8 8.164 -4.658 2.128 367 HG23 ILE 8 HG23 ILE 8 6.865 -3.634 2.731 368 HD11 ILE 8 HD11 ILE 8 8.145 -0.774 -0.429 369 HD12 ILE 8 HD12 ILE 8 8.961 -1.913 -1.501 370 HD13 ILE 8 HD13 ILE 8 9.782 -1.315 -0.058 371 H THR 9 HN THR 9 9.513 -0.646 4.029 372 HA THR 9 HA THR 9 8.384 -1.818 6.323 373 HB THR 9 HB THR 9 10.257 0.551 6.109 374 HG1 THR 9 HG1 THR 9 10.574 -2.246 6.207 375 HG21 THR 9 HG21 THR 9 9.334 0.543 8.312 376 HG22 THR 9 HG22 THR 9 10.907 -0.245 8.439 377 HG23 THR 9 HG23 THR 9 9.434 -1.214 8.419 378 H ARG 10 HN ARG 10 8.104 1.448 4.980 379 HA ARG 10 HA ARG 10 6.594 2.589 7.084 380 HB2 ARG 10 HB2 ARG 10 6.805 3.224 4.140 381 HB3 ARG 10 HB1 ARG 10 5.829 4.181 5.254 382 HG2 ARG 10 HG2 ARG 10 7.742 4.774 6.566 383 HG3 ARG 10 HG1 ARG 10 8.757 3.596 5.732 384 HD2 ARG 10 HD2 ARG 10 9.110 5.948 4.945 385 HD3 ARG 10 HD1 ARG 10 8.615 4.848 3.666 386 HE ARG 10 HE ARG 10 6.575 5.978 3.520 387 HH11 ARG 10 HH11 ARG 10 5.251 7.765 3.981 388 HH12 ARG 10 HH12 ARG 10 5.620 8.791 5.328 389 HH21 ARG 10 HH21 ARG 10 8.422 6.980 6.274 390 HH22 ARG 10 HH22 ARG 10 7.417 8.345 6.627 391 H CYS 11 HN CYS 11 5.664 0.803 4.172 392 HA CYS 11 HA CYS 11 2.878 1.172 4.337 393 HB2 CYS 11 HB2 CYS 11 4.622 -0.964 3.149 394 HB3 CYS 11 HB1 CYS 11 2.868 -1.128 3.135 395 H LYS 12 HN LYS 12 4.995 -1.276 5.796 396 HA LYS 12 HA LYS 12 2.992 -2.903 6.906 397 HB2 LYS 12 HB2 LYS 12 5.393 -3.522 6.784 398 HB3 LYS 12 HB1 LYS 12 5.747 -2.316 8.021 399 HG2 LYS 12 HG2 LYS 12 4.279 -3.483 9.608 400 HG3 LYS 12 HG1 LYS 12 3.872 -4.674 8.372 401 HD2 LYS 12 HD2 LYS 12 6.246 -5.338 8.238 402 HD3 LYS 12 HD1 LYS 12 6.643 -4.157 9.488 403 HE2 LYS 12 HE2 LYS 12 5.139 -5.320 11.064 404 HE3 LYS 12 HE1 LYS 12 4.745 -6.500 9.815 405 HZ1 LYS 12 HZ1 LYS 12 6.655 -6.917 11.555 406 HZ2 LYS 12 HZ2 LYS 12 7.569 -6.050 10.415 407 HZ3 LYS 12 HZ3 LYS 12 6.771 -7.479 9.960 408 H LYS 13 HN LYS 13 4.700 -0.091 8.241 409 HA LYS 13 HA LYS 13 3.403 -0.102 10.763 410 HB2 LYS 13 HB2 LYS 13 5.492 1.137 10.330 411 HB3 LYS 13 HB1 LYS 13 4.611 2.239 9.271 412 HG2 LYS 13 HG2 LYS 13 3.171 2.918 11.151 413 HG3 LYS 13 HG1 LYS 13 4.013 1.789 12.213 414 HD2 LYS 13 HD2 LYS 13 6.125 3.007 11.829 415 HD3 LYS 13 HD1 LYS 13 5.275 4.140 10.778 416 HE2 LYS 13 HE2 LYS 13 3.822 4.804 12.655 417 HE3 LYS 13 HE1 LYS 13 4.659 3.665 13.710 418 HZ1 LYS 13 HZ1 LYS 13 6.582 5.247 12.448 419 HZ2 LYS 13 HZ2 LYS 13 6.178 5.205 14.098 420 HZ3 LYS 13 HZ3 LYS 13 5.390 6.290 13.055 421 H LEU 14 HN LEU 14 2.653 1.444 7.674 422 HA LEU 14 HA LEU 14 0.528 3.055 8.557 423 HB2 LEU 14 HB2 LEU 14 1.240 1.820 5.903 424 HB3 LEU 14 HB1 LEU 14 -0.204 2.813 6.086 425 HG LEU 14 HG LEU 14 2.491 3.827 7.024 426 HD11 LEU 14 HD11 LEU 14 3.028 3.413 4.774 427 HD12 LEU 14 HD12 LEU 14 2.444 5.071 4.722 428 HD13 LEU 14 HD13 LEU 14 1.392 3.748 4.211 429 HD21 LEU 14 HD21 LEU 14 -0.149 5.079 6.198 430 HD22 LEU 14 HD22 LEU 14 1.327 6.023 6.369 431 HD23 LEU 14 HD23 LEU 14 0.654 5.188 7.766 432 H LEU 15 HN LEU 15 0.584 -0.270 7.365 433 HA LEU 15 HA LEU 15 -2.213 -0.662 7.342 434 HB2 LEU 15 HB2 LEU 15 0.092 -2.593 7.660 435 HB3 LEU 15 HB1 LEU 15 -1.587 -3.102 7.476 436 HG LEU 15 HG LEU 15 -0.150 -1.301 5.507 437 HD11 LEU 15 HD11 LEU 15 -0.088 -3.352 4.059 438 HD12 LEU 15 HD12 LEU 15 -0.590 -4.295 5.461 439 HD13 LEU 15 HD13 LEU 15 0.957 -3.450 5.478 440 HD21 LEU 15 HD21 LEU 15 -2.402 -0.941 5.072 441 HD22 LEU 15 HD22 LEU 15 -2.891 -2.536 5.641 442 HD23 LEU 15 HD23 LEU 15 -2.128 -2.354 4.059 443 H ASP 16 HN ASP 16 0.235 -1.143 9.838 444 HA ASP 16 HA ASP 16 -1.442 -2.367 11.756 445 HB2 ASP 16 HB2 ASP 16 1.092 -0.746 12.015 446 HB3 ASP 16 HB1 ASP 16 0.288 -1.491 13.395 447 H ASP 17 HN ASP 17 -0.742 0.999 11.012 448 HA ASP 17 HA ASP 17 -2.025 2.157 13.251 449 HB2 ASP 17 HB2 ASP 17 -1.421 3.230 10.491 450 HB3 ASP 17 HB1 ASP 17 -2.138 4.207 11.772 451 H SER 18 HN SER 18 -3.288 0.441 10.648 452 HA SER 18 HA SER 18 -5.649 1.783 10.048 453 HB2 SER 18 HB2 SER 18 -6.474 -0.356 9.247 454 HB3 SER 18 HB1 SER 18 -4.766 -0.206 8.843 455 HG SER 18 HG SER 18 -5.746 -1.476 11.179 456 H SER 19 HN SER 19 -4.808 -0.206 12.744 457 HA SER 19 HA SER 19 -7.529 -0.328 13.756 458 HB2 SER 19 HB2 SER 19 -4.902 -1.211 14.945 459 HB3 SER 19 HB1 SER 19 -6.460 -1.422 15.740 460 HG SER 19 HG SER 19 -6.834 -3.050 14.471 461 H SER 20 HN SER 20 -4.903 1.775 13.960 462 HA SER 20 HA SER 20 -5.612 2.968 16.510 463 HB2 SER 20 HB2 SER 20 -3.258 2.888 15.490 464 HB3 SER 20 HB1 SER 20 -3.795 4.199 14.444 465 HG SER 20 HG SER 20 -2.816 4.538 16.747 466 H2 ZBR 100 HA3 TBS 100 -1.886 0.050 -1.288 467 H4 ZBR 100 HC3 TBS 100 0.985 0.304 1.942 468 H6 ZBR 100 HB3 TBS 100 2.247 -1.040 -1.983 469 H7 ZBR 100 HB11 TBS 100 -1.065 -0.182 -3.509 470 H7A ZBR 100 HB12 TBS 100 -0.550 -1.854 -3.304 471 H8 ZBR 100 HA11 TBS 100 -1.135 1.321 2.164 472 H8A ZBR 100 HA12 TBS 100 -2.088 -0.130 1.862 473 H9 ZBR 100 HC11 TBS 100 3.866 -0.452 -0.333 474 H9A ZBR 100 HC12 TBS 100 3.304 -1.568 0.911 Start of MODEL 10 1 H1 LYS 1 HN LYS 1 -7.370 5.171 16.882 2 HA LYS 1 HA LYS 1 -9.498 5.711 15.037 3 HB2 LYS 1 HB2 LYS 1 -8.632 7.105 17.577 4 HB3 LYS 1 HB1 LYS 1 -10.090 7.508 16.672 5 HG2 LYS 1 HG2 LYS 1 -10.907 5.193 16.951 6 HG3 LYS 1 HG1 LYS 1 -9.452 4.796 17.867 7 HD2 LYS 1 HD2 LYS 1 -10.040 6.496 19.554 8 HD3 LYS 1 HD1 LYS 1 -11.495 6.898 18.642 9 HE2 LYS 1 HE2 LYS 1 -12.325 4.599 18.928 10 HE3 LYS 1 HE1 LYS 1 -10.867 4.176 19.825 11 HZ1 LYS 1 HZ1 LYS 1 -12.342 4.693 21.493 12 HZ2 LYS 1 HZ2 LYS 1 -13.086 5.942 20.613 13 HZ3 LYS 1 HZ3 LYS 1 -11.544 6.176 21.287 14 H ASN 2 HN ASN 2 -6.460 6.334 14.557 15 HA ASN 2 HA ASN 2 -6.187 9.080 14.268 16 HB2 ASN 2 HB2 ASN 2 -4.305 8.582 12.794 17 HB3 ASN 2 HB1 ASN 2 -4.313 7.466 14.141 18 HD21 ASN 2 HD21 ASN 2 -3.119 6.967 11.484 19 HD22 ASN 2 HD22 ASN 2 -3.942 5.632 10.839 20 HA PRO 3 HA PRO 3 -8.782 10.030 10.811 21 HB2 PRO 3 HB2 PRO 3 -7.420 12.181 9.745 22 HB3 PRO 3 HB1 PRO 3 -8.396 12.268 11.224 23 HG2 PRO 3 HG2 PRO 3 -5.434 11.982 10.926 24 HG3 PRO 3 HG1 PRO 3 -6.363 12.980 12.062 25 HD2 PRO 3 HD2 PRO 3 -5.251 10.632 12.788 26 HD3 PRO 3 HD1 PRO 3 -6.772 11.206 13.498 27 H GLU 4 HN GLU 4 -5.406 9.369 10.324 28 HA GLU 4 HA GLU 4 -5.344 9.345 7.502 29 HB2 GLU 4 HB2 GLU 4 -3.666 7.896 9.562 30 HB3 GLU 4 HB1 GLU 4 -3.331 7.853 7.833 31 HG2 GLU 4 HG2 GLU 4 -1.988 9.636 8.552 32 HG3 GLU 4 HG1 GLU 4 -3.426 10.473 7.989 33 H ALA 5 HN ALA 5 -6.910 7.326 9.694 34 HA ALA 5 HA ALA 5 -6.721 4.804 8.498 35 HB1 ALA 5 HB1 ALA 5 -8.958 4.389 9.554 36 HB2 ALA 5 HB2 ALA 5 -9.015 6.098 9.990 37 HB3 ALA 5 HB3 ALA 5 -7.762 5.057 10.665 38 H GLU 6 HN GLU 6 -8.606 7.638 7.636 39 HA GLU 6 HA GLU 6 -10.444 6.418 5.874 40 HB2 GLU 6 HB2 GLU 6 -9.261 9.200 5.944 41 HB3 GLU 6 HB1 GLU 6 -10.541 8.721 4.828 42 HG2 GLU 6 HG2 GLU 6 -11.992 8.118 6.698 43 HG3 GLU 6 HG1 GLU 6 -10.706 8.488 7.846 44 H GLU 7 HN GLU 7 -7.167 7.666 5.382 45 HA GLU 7 HA GLU 7 -7.104 7.335 2.579 46 HB2 GLU 7 HB2 GLU 7 -5.486 8.715 3.926 47 HB3 GLU 7 HB1 GLU 7 -4.745 7.201 4.447 48 HG2 GLU 7 HG2 GLU 7 -3.515 8.060 2.529 49 HG3 GLU 7 HG1 GLU 7 -4.376 6.597 2.052 50 H ILE 8 HN ILE 8 -6.417 5.208 5.272 51 HA ILE 8 HA ILE 8 -5.179 3.085 3.841 52 HB ILE 8 HB ILE 8 -6.962 2.889 6.290 53 HG12 ILE 8 HG12 ILE 8 -5.188 4.542 6.638 54 HG13 ILE 8 HG11 ILE 8 -4.816 3.081 7.546 55 HG21 ILE 8 HG21 ILE 8 -4.895 1.091 5.010 56 HG22 ILE 8 HG22 ILE 8 -6.551 0.695 5.468 57 HG23 ILE 8 HG23 ILE 8 -5.327 0.939 6.703 58 HD11 ILE 8 HD11 ILE 8 -2.768 3.509 6.519 59 HD12 ILE 8 HD12 ILE 8 -3.516 4.152 5.064 60 HD13 ILE 8 HD13 ILE 8 -3.486 2.417 5.342 61 H THR 9 HN THR 9 -8.571 3.867 4.472 62 HA THR 9 HA THR 9 -9.728 1.505 3.433 63 HB THR 9 HB THR 9 -10.798 4.338 3.416 64 HG1 THR 9 HG1 THR 9 -10.906 2.177 5.228 65 HG21 THR 9 HG21 THR 9 -13.013 3.008 3.408 66 HG22 THR 9 HG22 THR 9 -12.043 1.650 2.836 67 HG23 THR 9 HG23 THR 9 -12.133 3.134 1.885 68 H ARG 10 HN ARG 10 -8.726 4.539 1.877 69 HA ARG 10 HA ARG 10 -9.691 3.951 -0.732 70 HB2 ARG 10 HB2 ARG 10 -7.431 5.686 0.269 71 HB3 ARG 10 HB1 ARG 10 -7.860 5.579 -1.436 72 HG2 ARG 10 HG2 ARG 10 -10.073 6.408 -1.017 73 HG3 ARG 10 HG1 ARG 10 -9.852 6.280 0.729 74 HD2 ARG 10 HD2 ARG 10 -9.593 8.615 -0.124 75 HD3 ARG 10 HD1 ARG 10 -8.164 8.020 0.694 76 HE ARG 10 HE ARG 10 -7.014 8.018 -1.343 77 HH11 ARG 10 HH11 ARG 10 -6.836 8.649 -3.516 78 HH12 ARG 10 HH12 ARG 10 -8.249 9.113 -4.403 79 HH21 ARG 10 HH21 ARG 10 -10.409 8.604 -1.739 80 HH22 ARG 10 HH22 ARG 10 -10.274 9.087 -3.395 81 H CYS 11 HN CYS 11 -6.638 3.205 0.911 82 HA CYS 11 HA CYS 11 -5.179 2.193 -1.249 83 HB2 CYS 11 HB2 CYS 11 -4.374 2.565 1.128 84 HB3 CYS 11 HB1 CYS 11 -5.149 1.039 1.543 85 H LYS 12 HN LYS 12 -7.489 0.583 0.912 86 HA LYS 12 HA LYS 12 -7.262 -2.009 -0.192 87 HB2 LYS 12 HB2 LYS 12 -9.555 -0.636 1.234 88 HB3 LYS 12 HB1 LYS 12 -9.536 -2.352 0.824 89 HG2 LYS 12 HG2 LYS 12 -7.472 -2.655 2.136 90 HG3 LYS 12 HG1 LYS 12 -7.479 -0.938 2.544 91 HD2 LYS 12 HD2 LYS 12 -9.695 -1.226 3.630 92 HD3 LYS 12 HD1 LYS 12 -9.621 -2.954 3.278 93 HE2 LYS 12 HE2 LYS 12 -7.605 -1.424 4.951 94 HE3 LYS 12 HE1 LYS 12 -8.876 -2.467 5.590 95 HZ1 LYS 12 HZ1 LYS 12 -7.915 -4.326 4.403 96 HZ2 LYS 12 HZ2 LYS 12 -6.756 -3.624 5.428 97 HZ3 LYS 12 HZ3 LYS 12 -6.706 -3.328 3.756 98 H LYS 13 HN LYS 13 -9.372 0.733 -0.975 99 HA LYS 13 HA LYS 13 -10.971 -0.578 -2.903 100 HB2 LYS 13 HB2 LYS 13 -11.563 1.599 -1.898 101 HB3 LYS 13 HB1 LYS 13 -10.221 2.349 -2.762 102 HG2 LYS 13 HG2 LYS 13 -11.216 1.710 -4.913 103 HG3 LYS 13 HG1 LYS 13 -12.538 0.896 -4.075 104 HD2 LYS 13 HD2 LYS 13 -13.224 3.034 -3.067 105 HD3 LYS 13 HD1 LYS 13 -11.890 3.853 -3.883 106 HE2 LYS 13 HE2 LYS 13 -13.957 4.163 -5.160 107 HE3 LYS 13 HE1 LYS 13 -12.835 3.155 -6.074 108 HZ1 LYS 13 HZ1 LYS 13 -14.975 2.151 -6.156 109 HZ2 LYS 13 HZ2 LYS 13 -15.160 2.247 -4.470 110 HZ3 LYS 13 HZ3 LYS 13 -14.006 1.196 -5.143 111 H LEU 14 HN LEU 14 -7.897 1.159 -3.135 112 HA LEU 14 HA LEU 14 -7.696 1.179 -5.945 113 HB2 LEU 14 HB2 LEU 14 -5.665 1.248 -3.711 114 HB3 LEU 14 HB1 LEU 14 -5.166 1.294 -5.402 115 HG LEU 14 HG LEU 14 -7.301 3.210 -4.455 116 HD11 LEU 14 HD11 LEU 14 -4.348 3.322 -3.851 117 HD12 LEU 14 HD12 LEU 14 -5.721 3.781 -2.844 118 HD13 LEU 14 HD13 LEU 14 -5.229 4.820 -4.172 119 HD21 LEU 14 HD21 LEU 14 -6.306 4.590 -6.251 120 HD22 LEU 14 HD22 LEU 14 -6.748 3.009 -6.879 121 HD23 LEU 14 HD23 LEU 14 -5.064 3.367 -6.510 122 H LEU 15 HN LEU 15 -6.642 -1.185 -3.531 123 HA LEU 15 HA LEU 15 -5.346 -2.935 -5.349 124 HB2 LEU 15 HB2 LEU 15 -6.602 -3.439 -2.643 125 HB3 LEU 15 HB1 LEU 15 -5.637 -4.622 -3.519 126 HG LEU 15 HG LEU 15 -4.650 -1.852 -2.784 127 HD11 LEU 15 HD11 LEU 15 -4.099 -4.516 -1.449 128 HD12 LEU 15 HD12 LEU 15 -5.073 -3.212 -0.766 129 HD13 LEU 15 HD13 LEU 15 -3.344 -2.979 -1.030 130 HD21 LEU 15 HD21 LEU 15 -3.455 -4.247 -4.169 131 HD22 LEU 15 HD22 LEU 15 -2.410 -3.237 -3.175 132 HD23 LEU 15 HD23 LEU 15 -3.270 -2.533 -4.532 133 H ASP 16 HN ASP 16 -8.653 -2.740 -4.153 134 HA ASP 16 HA ASP 16 -9.613 -5.132 -5.313 135 HB2 ASP 16 HB2 ASP 16 -10.986 -2.558 -4.537 136 HB3 ASP 16 HB1 ASP 16 -11.860 -3.953 -5.167 137 H ASP 17 HN ASP 17 -9.253 -1.858 -6.552 138 HA ASP 17 HA ASP 17 -10.702 -2.194 -8.956 139 HB2 ASP 17 HB2 ASP 17 -8.478 -0.307 -8.182 140 HB3 ASP 17 HB1 ASP 17 -9.298 -0.238 -9.742 141 H SER 18 HN SER 18 -7.849 -3.617 -7.927 142 HA SER 18 HA SER 18 -6.244 -3.677 -10.191 143 HB2 SER 18 HB2 SER 18 -5.562 -4.559 -7.978 144 HB3 SER 18 HB1 SER 18 -6.671 -5.902 -8.197 145 HG SER 18 HG SER 18 -5.403 -6.724 -9.728 146 H SER 19 HN SER 19 -9.110 -5.469 -9.417 147 HA SER 19 HA SER 19 -8.857 -7.297 -11.634 148 HB2 SER 19 HB2 SER 19 -11.043 -8.116 -10.982 149 HB3 SER 19 HB1 SER 19 -10.074 -7.881 -9.530 150 HG SER 19 HG SER 19 -12.325 -6.554 -10.418 151 H SER 20 HN SER 20 -9.857 -4.118 -11.283 152 HA SER 20 HA SER 20 -11.790 -4.096 -13.447 153 HB2 SER 20 HB2 SER 20 -10.446 -1.761 -12.077 154 HB3 SER 20 HB1 SER 20 -11.861 -1.693 -13.116 155 HG SER 20 HG SER 20 -11.592 -2.968 -10.595 156 H1 LYS 1 HN LYS 1 -11.489 -3.106 -15.474 157 HA LYS 1 HA LYS 1 -8.883 -3.493 -16.610 158 HB2 LYS 1 HB2 LYS 1 -11.440 -2.365 -17.763 159 HB3 LYS 1 HB1 LYS 1 -9.973 -2.649 -18.702 160 HG2 LYS 1 HG2 LYS 1 -10.041 -5.040 -18.080 161 HG3 LYS 1 HG1 LYS 1 -11.516 -4.754 -17.157 162 HD2 LYS 1 HD2 LYS 1 -12.659 -3.999 -19.212 163 HD3 LYS 1 HD1 LYS 1 -11.185 -4.294 -20.136 164 HE2 LYS 1 HE2 LYS 1 -11.267 -6.679 -19.524 165 HE3 LYS 1 HE1 LYS 1 -12.734 -6.392 -18.588 166 HZ1 LYS 1 HZ1 LYS 1 -13.544 -7.106 -20.610 167 HZ2 LYS 1 HZ2 LYS 1 -12.350 -6.296 -21.507 168 HZ3 LYS 1 HZ3 LYS 1 -13.613 -5.421 -20.783 169 H ASN 2 HN ASN 2 -9.694 -1.228 -14.593 170 HA ASN 2 HA ASN 2 -9.335 1.212 -15.864 171 HB2 ASN 2 HB2 ASN 2 -8.844 2.118 -13.648 172 HB3 ASN 2 HB1 ASN 2 -10.148 0.958 -13.542 173 HD21 ASN 2 HD21 ASN 2 -8.313 1.693 -11.348 174 HD22 ASN 2 HD22 ASN 2 -7.493 0.272 -10.921 175 HA PRO 3 HA PRO 3 -5.041 1.224 -16.929 176 HB2 PRO 3 HB2 PRO 3 -4.498 3.926 -16.764 177 HB3 PRO 3 HB1 PRO 3 -5.405 3.184 -18.095 178 HG2 PRO 3 HG2 PRO 3 -6.426 4.620 -15.680 179 HG3 PRO 3 HG1 PRO 3 -6.974 4.716 -17.365 180 HD2 PRO 3 HD2 PRO 3 -8.290 3.269 -15.511 181 HD3 PRO 3 HD1 PRO 3 -8.226 2.771 -17.213 182 H GLU 4 HN GLU 4 -6.099 2.613 -13.927 183 HA GLU 4 HA GLU 4 -3.587 3.161 -12.762 184 HB2 GLU 4 HB2 GLU 4 -6.272 2.505 -11.533 185 HB3 GLU 4 HB1 GLU 4 -4.862 2.976 -10.589 186 HG2 GLU 4 HG2 GLU 4 -5.940 5.032 -10.920 187 HG3 GLU 4 HG1 GLU 4 -4.755 5.036 -12.215 188 H ALA 5 HN ALA 5 -5.049 0.245 -13.598 189 HA ALA 5 HA ALA 5 -4.249 -1.488 -11.551 190 HB1 ALA 5 HB1 ALA 5 -4.287 -3.246 -13.334 191 HB2 ALA 5 HB2 ALA 5 -4.503 -1.968 -14.530 192 HB3 ALA 5 HB3 ALA 5 -5.739 -2.247 -13.303 193 H GLU 6 HN GLU 6 -2.449 -0.043 -14.199 194 HA GLU 6 HA GLU 6 -0.171 -1.709 -14.139 195 HB2 GLU 6 HB2 GLU 6 -0.525 1.195 -14.901 196 HB3 GLU 6 HB1 GLU 6 0.991 0.318 -15.114 197 HG2 GLU 6 HG2 GLU 6 -0.113 -1.315 -16.553 198 HG3 GLU 6 HG1 GLU 6 -1.673 -0.542 -16.278 199 H GLU 7 HN GLU 7 -1.032 1.185 -12.290 200 HA GLU 7 HA GLU 7 1.443 1.479 -10.961 201 HB2 GLU 7 HB2 GLU 7 -0.362 3.230 -11.107 202 HB3 GLU 7 HB1 GLU 7 -1.258 2.299 -9.906 203 HG2 GLU 7 HG2 GLU 7 0.014 4.035 -8.766 204 HG3 GLU 7 HG1 GLU 7 0.702 2.462 -8.366 205 H ILE 8 HN ILE 8 -1.444 -0.391 -10.299 206 HA ILE 8 HA ILE 8 -0.840 -1.191 -7.635 207 HB ILE 8 HB ILE 8 -2.309 -2.776 -9.769 208 HG12 ILE 8 HG12 ILE 8 -3.241 -0.515 -9.556 209 HG13 ILE 8 HG11 ILE 8 -4.337 -1.682 -8.823 210 HG21 ILE 8 HG21 ILE 8 -2.156 -2.891 -6.752 211 HG22 ILE 8 HG22 ILE 8 -1.924 -4.200 -7.909 212 HG23 ILE 8 HG23 ILE 8 -3.532 -3.549 -7.624 213 HD11 ILE 8 HD11 ILE 8 -4.256 -0.038 -7.174 214 HD12 ILE 8 HD12 ILE 8 -2.573 0.352 -7.500 215 HD13 ILE 8 HD13 ILE 8 -2.980 -1.108 -6.611 216 H THR 9 HN THR 9 0.099 -2.495 -10.788 217 HA THR 9 HA THR 9 1.348 -4.868 -9.887 218 HB THR 9 HB THR 9 2.016 -3.122 -12.268 219 HG1 THR 9 HG1 THR 9 0.271 -5.286 -11.799 220 HG21 THR 9 HG21 THR 9 2.898 -5.381 -13.122 221 HG22 THR 9 HG22 THR 9 2.875 -5.894 -11.436 222 HG23 THR 9 HG23 THR 9 3.886 -4.536 -11.933 223 H ARG 10 HN ARG 10 2.550 -1.546 -10.281 224 HA ARG 10 HA ARG 10 5.269 -2.061 -9.632 225 HB2 ARG 10 HB2 ARG 10 3.535 0.398 -9.381 226 HB3 ARG 10 HB1 ARG 10 5.245 0.400 -8.956 227 HG2 ARG 10 HG2 ARG 10 5.882 -0.208 -11.191 228 HG3 ARG 10 HG1 ARG 10 4.205 -0.516 -11.646 229 HD2 ARG 10 HD2 ARG 10 5.053 1.693 -12.453 230 HD3 ARG 10 HD1 ARG 10 3.655 1.834 -11.403 231 HE ARG 10 HE ARG 10 5.002 2.833 -9.771 232 HH11 ARG 10 HH11 ARG 10 6.933 3.848 -9.146 233 HH12 ARG 10 HH12 ARG 10 8.373 3.622 -10.082 234 HH21 ARG 10 HH21 ARG 10 6.854 1.537 -12.400 235 HH22 ARG 10 HH22 ARG 10 8.328 2.313 -11.926 236 H CYS 11 HN CYS 11 2.429 -1.342 -7.638 237 HA CYS 11 HA CYS 11 3.678 -0.967 -5.162 238 HB2 CYS 11 HB2 CYS 11 1.235 -0.645 -5.709 239 HB3 CYS 11 HB1 CYS 11 1.050 -2.391 -5.582 240 H LYS 12 HN LYS 12 2.605 -3.959 -6.751 241 HA LYS 12 HA LYS 12 3.292 -5.731 -4.650 242 HB2 LYS 12 HB2 LYS 12 3.096 -6.154 -7.643 243 HB3 LYS 12 HB1 LYS 12 3.321 -7.457 -6.475 244 HG2 LYS 12 HG2 LYS 12 1.234 -6.839 -5.344 245 HG3 LYS 12 HG1 LYS 12 1.009 -5.496 -6.466 246 HD2 LYS 12 HD2 LYS 12 0.949 -7.114 -8.353 247 HD3 LYS 12 HD1 LYS 12 1.090 -8.439 -7.196 248 HE2 LYS 12 HE2 LYS 12 -1.145 -6.388 -7.232 249 HE3 LYS 12 HE1 LYS 12 -1.271 -8.038 -7.842 250 HZ1 LYS 12 HZ1 LYS 12 -0.750 -8.859 -5.634 251 HZ2 LYS 12 HZ2 LYS 12 -2.122 -7.858 -5.590 252 HZ3 LYS 12 HZ3 LYS 12 -0.622 -7.273 -5.048 253 H LYS 13 HN LYS 13 5.110 -4.491 -7.433 254 HA LYS 13 HA LYS 13 7.431 -6.070 -7.086 255 HB2 LYS 13 HB2 LYS 13 6.937 -4.806 -9.150 256 HB3 LYS 13 HB1 LYS 13 7.210 -3.299 -8.276 257 HG2 LYS 13 HG2 LYS 13 9.525 -3.980 -7.790 258 HG3 LYS 13 HG1 LYS 13 9.256 -5.510 -8.624 259 HD2 LYS 13 HD2 LYS 13 8.815 -4.308 -10.720 260 HD3 LYS 13 HD1 LYS 13 9.037 -2.766 -9.893 261 HE2 LYS 13 HE2 LYS 13 11.098 -3.384 -11.066 262 HE3 LYS 13 HE1 LYS 13 11.362 -3.429 -9.324 263 HZ1 LYS 13 HZ1 LYS 13 12.284 -5.391 -10.276 264 HZ2 LYS 13 HZ2 LYS 13 10.849 -5.737 -11.116 265 HZ3 LYS 13 HZ3 LYS 13 10.891 -5.844 -9.420 266 H LEU 14 HN LEU 14 6.458 -2.928 -5.777 267 HA LEU 14 HA LEU 14 8.905 -2.270 -4.540 268 HB2 LEU 14 HB2 LEU 14 6.029 -1.530 -3.996 269 HB3 LEU 14 HB1 LEU 14 7.338 -0.901 -2.995 270 HG LEU 14 HG LEU 14 7.543 -0.675 -6.001 271 HD11 LEU 14 HD11 LEU 14 5.760 0.915 -4.161 272 HD12 LEU 14 HD12 LEU 14 5.468 0.362 -5.808 273 HD13 LEU 14 HD13 LEU 14 6.544 1.722 -5.523 274 HD21 LEU 14 HD21 LEU 14 8.854 1.327 -5.367 275 HD22 LEU 14 HD22 LEU 14 9.486 -0.096 -4.550 276 HD23 LEU 14 HD23 LEU 14 8.472 1.045 -3.670 277 H LEU 15 HN LEU 15 6.088 -4.074 -3.377 278 HA LEU 15 HA LEU 15 7.033 -4.466 -0.731 279 HB2 LEU 15 HB2 LEU 15 5.089 -6.052 -2.420 280 HB3 LEU 15 HB1 LEU 15 5.378 -6.356 -0.710 281 HG LEU 15 HG LEU 15 4.515 -3.671 -1.822 282 HD11 LEU 15 HD11 LEU 15 2.850 -5.788 -0.436 283 HD12 LEU 15 HD12 LEU 15 2.780 -5.419 -2.161 284 HD13 LEU 15 HD13 LEU 15 2.286 -4.207 -0.976 285 HD21 LEU 15 HD21 LEU 15 5.081 -4.765 0.926 286 HD22 LEU 15 HD22 LEU 15 3.801 -3.570 0.749 287 HD23 LEU 15 HD23 LEU 15 5.437 -3.176 0.253 288 H ASP 16 HN ASP 16 7.384 -6.324 -3.707 289 HA ASP 16 HA ASP 16 8.649 -8.589 -2.586 290 HB2 ASP 16 HB2 ASP 16 8.734 -7.375 -5.347 291 HB3 ASP 16 HB1 ASP 16 9.563 -8.876 -4.938 292 H ASP 17 HN ASP 17 9.880 -5.495 -3.729 293 HA ASP 17 HA ASP 17 12.635 -6.117 -3.633 294 HB2 ASP 17 HB2 ASP 17 11.149 -3.499 -3.422 295 HB3 ASP 17 HB1 ASP 17 12.907 -3.607 -3.443 296 H SER 18 HN SER 18 10.373 -5.904 -1.171 297 HA SER 18 HA SER 18 11.716 -4.646 0.908 298 HB2 SER 18 HB2 SER 18 9.362 -5.410 1.036 299 HB3 SER 18 HB1 SER 18 9.930 -7.071 1.092 300 HG SER 18 HG SER 18 10.753 -6.736 3.069 301 H SER 19 HN SER 19 12.106 -7.822 -0.429 302 HA SER 19 HA SER 19 13.844 -8.762 1.669 303 HB2 SER 19 HB2 SER 19 14.131 -10.744 0.310 304 HB3 SER 19 HB1 SER 19 12.429 -10.292 0.278 305 HG SER 19 HG SER 19 14.327 -10.275 -1.726 306 H SER 20 HN SER 20 14.212 -6.783 -1.016 307 HA SER 20 HA SER 20 16.989 -7.405 -1.565 308 HB2 SER 20 HB2 SER 20 15.373 -5.011 -2.453 309 HB3 SER 20 HB1 SER 20 16.916 -5.536 -3.109 310 HG SER 20 HG SER 20 14.456 -6.959 -3.139 311 H1 LYS 1 HN LYS 1 18.766 -6.059 -1.112 312 HA LYS 1 HA LYS 1 18.650 -4.767 1.445 313 HB2 LYS 1 HB2 LYS 1 20.871 -5.001 -0.593 314 HB3 LYS 1 HB1 LYS 1 21.065 -4.287 1.008 315 HG2 LYS 1 HG2 LYS 1 20.345 -6.407 2.046 316 HG3 LYS 1 HG1 LYS 1 20.153 -7.124 0.447 317 HD2 LYS 1 HD2 LYS 1 22.550 -6.756 -0.011 318 HD3 LYS 1 HD1 LYS 1 22.745 -6.045 1.592 319 HE2 LYS 1 HE2 LYS 1 22.035 -8.163 2.629 320 HE3 LYS 1 HE1 LYS 1 21.822 -8.879 1.031 321 HZ1 LYS 1 HZ1 LYS 1 23.933 -9.552 1.592 322 HZ2 LYS 1 HZ2 LYS 1 24.307 -8.107 2.403 323 HZ3 LYS 1 HZ3 LYS 1 24.261 -8.143 0.706 324 H ASN 2 HN ASN 2 17.352 -3.700 -1.203 325 HA ASN 2 HA ASN 2 18.541 -1.267 -1.814 326 HB2 ASN 2 HB2 ASN 2 16.407 -0.658 -2.834 327 HB3 ASN 2 HB1 ASN 2 16.764 -2.338 -3.168 328 HD21 ASN 2 HD21 ASN 2 14.071 -1.128 -3.104 329 HD22 ASN 2 HD22 ASN 2 13.224 -1.924 -1.870 330 HA PRO 3 HA PRO 3 17.678 1.235 1.734 331 HB2 PRO 3 HB2 PRO 3 17.517 3.726 0.557 332 HB3 PRO 3 HB1 PRO 3 19.043 2.863 0.828 333 HG2 PRO 3 HG2 PRO 3 17.408 3.073 -1.667 334 HG3 PRO 3 HG1 PRO 3 19.169 3.158 -1.461 335 HD2 PRO 3 HD2 PRO 3 17.936 0.929 -2.339 336 HD3 PRO 3 HD1 PRO 3 19.407 0.855 -1.349 337 H GLU 4 HN GLU 4 15.530 1.268 -0.993 338 HA GLU 4 HA GLU 4 13.460 2.864 0.078 339 HB2 GLU 4 HB2 GLU 4 13.437 0.670 -2.003 340 HB3 GLU 4 HB1 GLU 4 12.025 1.647 -1.607 341 HG2 GLU 4 HG2 GLU 4 12.938 2.836 -3.407 342 HG3 GLU 4 HG1 GLU 4 13.629 3.691 -2.037 343 H ALA 5 HN ALA 5 14.590 -0.183 0.959 344 HA ALA 5 HA ALA 5 12.260 -1.543 1.702 345 HB1 ALA 5 HB1 ALA 5 13.742 -2.700 3.363 346 HB2 ALA 5 HB2 ALA 5 15.021 -1.559 2.944 347 HB3 ALA 5 HB3 ALA 5 14.398 -2.672 1.726 348 H GLU 6 HN GLU 6 14.008 1.076 3.255 349 HA GLU 6 HA GLU 6 12.854 0.910 5.827 350 HB2 GLU 6 HB2 GLU 6 13.929 3.253 4.247 351 HB3 GLU 6 HB1 GLU 6 13.408 3.379 5.927 352 HG2 GLU 6 HG2 GLU 6 15.039 1.690 6.596 353 HG3 GLU 6 HG1 GLU 6 15.519 1.451 4.916 354 H GLU 7 HN GLU 7 11.791 2.521 2.857 355 HA GLU 7 HA GLU 7 9.568 3.849 3.979 356 HB2 GLU 7 HB2 GLU 7 10.606 4.370 1.747 357 HB3 GLU 7 HB1 GLU 7 9.836 2.907 1.130 358 HG2 GLU 7 HG2 GLU 7 8.407 4.822 0.646 359 HG3 GLU 7 HG1 GLU 7 7.623 3.803 1.852 360 H ILE 8 HN ILE 8 10.037 0.647 2.645 361 HA ILE 8 HA ILE 8 7.311 -0.158 2.481 362 HB ILE 8 HB ILE 8 9.732 -1.874 3.120 363 HG12 ILE 8 HG12 ILE 8 10.104 -0.548 1.089 364 HG13 ILE 8 HG11 ILE 8 9.809 -2.229 0.657 365 HG21 ILE 8 HG21 ILE 8 6.936 -2.432 2.117 366 HG22 ILE 8 HG22 ILE 8 7.769 -3.164 3.488 367 HG23 ILE 8 HG23 ILE 8 8.257 -3.560 1.845 368 HD11 ILE 8 HD11 ILE 8 8.408 -1.125 -0.842 369 HD12 ILE 8 HD12 ILE 8 8.027 0.157 0.299 370 HD13 ILE 8 HD13 ILE 8 7.283 -1.425 0.475 371 H THR 9 HN THR 9 9.647 -0.184 5.137 372 HA THR 9 HA THR 9 8.108 -1.641 7.009 373 HB THR 9 HB THR 9 10.114 0.578 7.470 374 HG1 THR 9 HG1 THR 9 10.255 -2.229 7.232 375 HG21 THR 9 HG21 THR 9 10.317 -0.681 9.710 376 HG22 THR 9 HG22 THR 9 8.753 -1.389 9.311 377 HG23 THR 9 HG23 THR 9 8.911 0.360 9.494 378 H ARG 10 HN ARG 10 8.221 1.818 6.203 379 HA ARG 10 HA ARG 10 6.437 2.724 8.224 380 HB2 ARG 10 HB2 ARG 10 7.143 3.787 5.486 381 HB3 ARG 10 HB1 ARG 10 6.032 4.625 6.566 382 HG2 ARG 10 HG2 ARG 10 7.725 4.870 8.249 383 HG3 ARG 10 HG1 ARG 10 8.824 3.797 7.381 384 HD2 ARG 10 HD2 ARG 10 9.376 6.212 7.074 385 HD3 ARG 10 HD1 ARG 10 9.026 5.394 5.565 386 HE ARG 10 HE ARG 10 7.064 6.652 5.354 387 HH11 ARG 10 HH11 ARG 10 5.774 8.423 5.953 388 HH12 ARG 10 HH12 ARG 10 6.004 9.179 7.493 389 HH21 ARG 10 HH21 ARG 10 8.567 7.051 8.453 390 HH22 ARG 10 HH22 ARG 10 7.586 8.402 8.910 391 H CYS 11 HN CYS 11 5.901 1.468 4.950 392 HA CYS 11 HA CYS 11 3.166 1.993 4.683 393 HB2 CYS 11 HB2 CYS 11 4.721 1.052 2.933 394 HB3 CYS 11 HB1 CYS 11 4.557 -0.512 3.727 395 H LYS 12 HN LYS 12 4.820 -0.774 6.186 396 HA LYS 12 HA LYS 12 2.494 -2.244 6.857 397 HB2 LYS 12 HB2 LYS 12 5.248 -2.163 8.113 398 HB3 LYS 12 HB1 LYS 12 3.996 -3.321 8.566 399 HG2 LYS 12 HG2 LYS 12 3.889 -4.143 6.258 400 HG3 LYS 12 HG1 LYS 12 5.108 -2.964 5.768 401 HD2 LYS 12 HD2 LYS 12 6.705 -3.994 7.378 402 HD3 LYS 12 HD1 LYS 12 5.491 -5.217 7.763 403 HE2 LYS 12 HE2 LYS 12 6.657 -4.711 5.008 404 HE3 LYS 12 HE1 LYS 12 7.099 -6.046 6.074 405 HZ1 LYS 12 HZ1 LYS 12 4.821 -6.818 6.012 406 HZ2 LYS 12 HZ2 LYS 12 5.446 -6.710 4.436 407 HZ3 LYS 12 HZ3 LYS 12 4.376 -5.523 5.012 408 H LYS 13 HN LYS 13 4.329 0.250 8.586 409 HA LYS 13 HA LYS 13 2.902 0.128 11.027 410 HB2 LYS 13 HB2 LYS 13 5.075 1.286 10.762 411 HB3 LYS 13 HB1 LYS 13 4.277 2.516 9.780 412 HG2 LYS 13 HG2 LYS 13 2.814 3.108 11.658 413 HG3 LYS 13 HG1 LYS 13 3.546 1.841 12.644 414 HD2 LYS 13 HD2 LYS 13 5.728 2.959 12.487 415 HD3 LYS 13 HD1 LYS 13 5.023 4.213 11.467 416 HE2 LYS 13 HE2 LYS 13 5.156 5.001 13.784 417 HE3 LYS 13 HE1 LYS 13 3.468 4.809 13.310 418 HZ1 LYS 13 HZ1 LYS 13 3.752 3.834 15.445 419 HZ2 LYS 13 HZ2 LYS 13 5.101 2.936 14.932 420 HZ3 LYS 13 HZ3 LYS 13 3.553 2.567 14.336 421 H LEU 14 HN LEU 14 2.391 1.970 8.043 422 HA LEU 14 HA LEU 14 0.285 3.600 8.970 423 HB2 LEU 14 HB2 LEU 14 1.083 2.571 6.246 424 HB3 LEU 14 HB1 LEU 14 -0.329 3.607 6.449 425 HG LEU 14 HG LEU 14 2.293 4.463 7.677 426 HD11 LEU 14 HD11 LEU 14 1.572 4.450 4.749 427 HD12 LEU 14 HD12 LEU 14 3.127 4.156 5.527 428 HD13 LEU 14 HD13 LEU 14 2.509 5.796 5.406 429 HD21 LEU 14 HD21 LEU 14 1.324 6.692 7.239 430 HD22 LEU 14 HD22 LEU 14 0.177 5.708 8.140 431 HD23 LEU 14 HD23 LEU 14 -0.040 5.944 6.406 432 H LEU 15 HN LEU 15 0.284 0.394 7.460 433 HA LEU 15 HA LEU 15 -2.534 0.110 7.320 434 HB2 LEU 15 HB2 LEU 15 -0.320 -1.948 7.467 435 HB3 LEU 15 HB1 LEU 15 -2.009 -2.339 7.158 436 HG LEU 15 HG LEU 15 -0.394 -0.396 5.483 437 HD11 LEU 15 HD11 LEU 15 -1.116 -3.282 4.914 438 HD12 LEU 15 HD12 LEU 15 0.501 -2.700 5.318 439 HD13 LEU 15 HD13 LEU 15 -0.273 -2.190 3.816 440 HD21 LEU 15 HD21 LEU 15 -3.209 -1.462 5.398 441 HD22 LEU 15 HD22 LEU 15 -2.392 -1.134 3.874 442 HD23 LEU 15 HD23 LEU 15 -2.609 0.156 5.044 443 H ASP 16 HN ASP 16 -0.160 -0.713 9.795 444 HA ASP 16 HA ASP 16 -1.903 -2.099 11.536 445 HB2 ASP 16 HB2 ASP 16 0.653 -0.568 12.017 446 HB3 ASP 16 HB1 ASP 16 -0.197 -1.433 13.297 447 H ASP 17 HN ASP 17 -1.138 1.315 11.154 448 HA ASP 17 HA ASP 17 -2.443 2.270 13.471 449 HB2 ASP 17 HB2 ASP 17 -1.797 3.582 10.829 450 HB3 ASP 17 HB1 ASP 17 -2.533 4.446 12.178 451 H SER 18 HN SER 18 -3.691 0.778 10.743 452 HA SER 18 HA SER 18 -6.033 2.163 10.200 453 HB2 SER 18 HB2 SER 18 -5.219 0.265 8.855 454 HB3 SER 18 HB1 SER 18 -5.620 -0.824 10.169 455 HG SER 18 HG SER 18 -7.728 -0.497 9.820 456 H SER 19 HN SER 19 -5.252 0.002 12.792 457 HA SER 19 HA SER 19 -7.959 -0.225 13.749 458 HB2 SER 19 HB2 SER 19 -7.014 -1.449 15.614 459 HB3 SER 19 HB1 SER 19 -6.227 -1.991 14.134 460 HG SER 19 HG SER 19 -5.200 -0.686 16.303 461 H SER 20 HN SER 20 -5.550 2.097 13.968 462 HA SER 20 HA SER 20 -6.313 3.182 16.548 463 HB2 SER 20 HB2 SER 20 -4.603 4.435 14.394 464 HB3 SER 20 HB1 SER 20 -4.733 4.959 16.067 465 HG SER 20 HG SER 20 -3.739 2.481 15.095 466 H2 ZBR 100 HA3 TBS 100 -1.419 1.130 -2.089 467 H4 ZBR 100 HC3 TBS 100 0.365 1.803 1.789 468 H6 ZBR 100 HB3 TBS 100 2.782 0.332 -1.477 469 H7 ZBR 100 HB11 TBS 100 1.489 0.924 -3.891 470 H7A ZBR 100 HB12 TBS 100 -0.151 0.269 -3.848 471 H8 ZBR 100 HA11 TBS 100 -2.305 2.868 -0.063 472 H8A ZBR 100 HA12 TBS 100 -1.931 2.144 1.505 473 H9 ZBR 100 HC11 TBS 100 3.193 2.038 1.409 474 H9A ZBR 100 HC12 TBS 100 3.729 0.534 0.653 Start of MODEL 11 1 H1 LYS 1 HN LYS 1 -7.408 5.435 16.453 2 HA LYS 1 HA LYS 1 -9.579 5.783 14.547 3 HB2 LYS 1 HB2 LYS 1 -9.006 7.019 17.244 4 HB3 LYS 1 HB1 LYS 1 -10.420 7.411 16.266 5 HG2 LYS 1 HG2 LYS 1 -11.088 5.032 16.279 6 HG3 LYS 1 HG1 LYS 1 -9.680 4.646 17.270 7 HD2 LYS 1 HD2 LYS 1 -10.511 6.146 19.045 8 HD3 LYS 1 HD1 LYS 1 -11.920 6.534 18.056 9 HE2 LYS 1 HE2 LYS 1 -12.601 4.168 18.079 10 HE3 LYS 1 HE1 LYS 1 -11.186 3.764 19.051 11 HZ1 LYS 1 HZ1 LYS 1 -13.341 4.131 20.286 12 HZ2 LYS 1 HZ2 LYS 1 -13.174 5.780 19.914 13 HZ3 LYS 1 HZ3 LYS 1 -11.996 4.995 20.853 14 H ASN 2 HN ASN 2 -6.574 6.750 14.383 15 HA ASN 2 HA ASN 2 -6.652 9.552 14.207 16 HB2 ASN 2 HB2 ASN 2 -4.568 9.287 12.840 17 HB3 ASN 2 HB1 ASN 2 -4.533 8.378 14.342 18 HD21 ASN 2 HD21 ASN 2 -2.863 7.581 12.219 19 HD22 ASN 2 HD22 ASN 2 -3.439 6.122 11.571 20 HA PRO 3 HA PRO 3 -8.820 10.350 10.456 21 HB2 PRO 3 HB2 PRO 3 -7.311 12.448 9.450 22 HB3 PRO 3 HB1 PRO 3 -8.508 12.609 10.748 23 HG2 PRO 3 HG2 PRO 3 -5.538 12.347 10.932 24 HG3 PRO 3 HG1 PRO 3 -6.638 13.392 11.851 25 HD2 PRO 3 HD2 PRO 3 -5.647 11.141 12.908 26 HD3 PRO 3 HD1 PRO 3 -7.296 11.663 13.285 27 H GLU 4 HN GLU 4 -5.443 9.590 10.421 28 HA GLU 4 HA GLU 4 -5.013 9.474 7.624 29 HB2 GLU 4 HB2 GLU 4 -3.676 7.913 9.847 30 HB3 GLU 4 HB1 GLU 4 -3.073 8.062 8.195 31 HG2 GLU 4 HG2 GLU 4 -3.596 10.431 10.010 32 HG3 GLU 4 HG1 GLU 4 -2.016 9.671 9.821 33 H ALA 5 HN ALA 5 -6.939 7.597 9.657 34 HA ALA 5 HA ALA 5 -6.700 5.017 8.596 35 HB1 ALA 5 HB1 ALA 5 -9.329 6.219 9.444 36 HB2 ALA 5 HB2 ALA 5 -8.075 5.810 10.615 37 HB3 ALA 5 HB3 ALA 5 -8.781 4.550 9.603 38 H GLU 6 HN GLU 6 -8.114 7.898 7.281 39 HA GLU 6 HA GLU 6 -9.899 6.791 5.411 40 HB2 GLU 6 HB2 GLU 6 -8.256 9.332 5.344 41 HB3 GLU 6 HB1 GLU 6 -9.482 8.932 4.139 42 HG2 GLU 6 HG2 GLU 6 -11.198 8.810 5.875 43 HG3 GLU 6 HG1 GLU 6 -9.989 9.107 7.122 44 H GLU 7 HN GLU 7 -6.413 7.351 5.280 45 HA GLU 7 HA GLU 7 -6.052 6.744 2.538 46 HB2 GLU 7 HB2 GLU 7 -4.210 6.655 4.926 47 HB3 GLU 7 HB1 GLU 7 -3.662 6.228 3.304 48 HG2 GLU 7 HG2 GLU 7 -5.009 8.855 3.987 49 HG3 GLU 7 HG1 GLU 7 -3.261 8.639 3.915 50 H ILE 8 HN ILE 8 -6.140 4.755 5.441 51 HA ILE 8 HA ILE 8 -5.230 2.334 4.298 52 HB ILE 8 HB ILE 8 -6.969 2.996 6.666 53 HG12 ILE 8 HG12 ILE 8 -5.048 2.148 7.899 54 HG13 ILE 8 HG11 ILE 8 -4.278 1.632 6.400 55 HG21 ILE 8 HG21 ILE 8 -7.911 0.924 6.008 56 HG22 ILE 8 HG22 ILE 8 -6.689 0.489 7.191 57 HG23 ILE 8 HG23 ILE 8 -6.351 0.294 5.476 58 HD11 ILE 8 HD11 ILE 8 -3.924 3.863 5.680 59 HD12 ILE 8 HD12 ILE 8 -3.501 3.876 7.392 60 HD13 ILE 8 HD13 ILE 8 -5.058 4.511 6.868 61 H THR 9 HN THR 9 -8.499 3.695 4.649 62 HA THR 9 HA THR 9 -9.922 1.539 3.513 63 HB THR 9 HB THR 9 -10.563 4.498 3.481 64 HG1 THR 9 HG1 THR 9 -11.244 2.367 5.222 65 HG21 THR 9 HG21 THR 9 -11.933 3.442 1.836 66 HG22 THR 9 HG22 THR 9 -12.934 3.571 3.284 67 HG23 THR 9 HG23 THR 9 -12.191 2.028 2.860 68 H ARG 10 HN ARG 10 -8.418 4.407 2.059 69 HA ARG 10 HA ARG 10 -9.284 3.972 -0.599 70 HB2 ARG 10 HB2 ARG 10 -8.205 6.072 0.333 71 HB3 ARG 10 HB1 ARG 10 -6.658 5.229 0.224 72 HG2 ARG 10 HG2 ARG 10 -7.276 4.775 -2.231 73 HG3 ARG 10 HG1 ARG 10 -8.539 5.982 -2.018 74 HD2 ARG 10 HD2 ARG 10 -5.564 6.392 -1.627 75 HD3 ARG 10 HD1 ARG 10 -6.554 7.061 -2.921 76 HE ARG 10 HE ARG 10 -6.389 8.021 -0.193 77 HH11 ARG 10 HH11 ARG 10 -7.562 9.923 0.233 78 HH12 ARG 10 HH12 ARG 10 -8.738 10.481 -0.910 79 HH21 ARG 10 HH21 ARG 10 -8.212 7.868 -3.128 80 HH22 ARG 10 HH22 ARG 10 -9.106 9.318 -2.812 81 H CYS 11 HN CYS 11 -6.456 2.833 1.216 82 HA CYS 11 HA CYS 11 -4.992 1.673 -0.849 83 HB2 CYS 11 HB2 CYS 11 -4.424 1.899 1.665 84 HB3 CYS 11 HB1 CYS 11 -5.265 0.361 1.848 85 H LYS 12 HN LYS 12 -7.562 0.234 1.153 86 HA LYS 12 HA LYS 12 -7.549 -2.306 -0.073 87 HB2 LYS 12 HB2 LYS 12 -8.676 -1.805 2.079 88 HB3 LYS 12 HB1 LYS 12 -9.885 -0.866 1.202 89 HG2 LYS 12 HG2 LYS 12 -10.532 -2.861 -0.083 90 HG3 LYS 12 HG1 LYS 12 -9.299 -3.806 0.753 91 HD2 LYS 12 HD2 LYS 12 -10.422 -3.360 2.908 92 HD3 LYS 12 HD1 LYS 12 -11.660 -2.428 2.066 93 HE2 LYS 12 HE2 LYS 12 -12.293 -4.426 0.769 94 HE3 LYS 12 HE1 LYS 12 -11.049 -5.361 1.598 95 HZ1 LYS 12 HZ1 LYS 12 -12.990 -3.911 3.235 96 HZ2 LYS 12 HZ2 LYS 12 -12.219 -5.398 3.526 97 HZ3 LYS 12 HZ3 LYS 12 -13.523 -5.311 2.440 98 H LYS 13 HN LYS 13 -9.402 0.637 -0.778 99 HA LYS 13 HA LYS 13 -10.997 -0.443 -2.823 100 HB2 LYS 13 HB2 LYS 13 -11.490 1.716 -1.761 101 HB3 LYS 13 HB1 LYS 13 -10.028 2.402 -2.467 102 HG2 LYS 13 HG2 LYS 13 -11.940 3.018 -3.847 103 HG3 LYS 13 HG1 LYS 13 -10.937 1.888 -4.742 104 HD2 LYS 13 HD2 LYS 13 -12.431 0.092 -4.411 105 HD3 LYS 13 HD1 LYS 13 -13.243 0.901 -3.067 106 HE2 LYS 13 HE2 LYS 13 -14.622 0.951 -5.110 107 HE3 LYS 13 HE1 LYS 13 -14.140 2.578 -4.631 108 HZ1 LYS 13 HZ1 LYS 13 -13.875 1.873 -7.072 109 HZ2 LYS 13 HZ2 LYS 13 -12.498 1.038 -6.530 110 HZ3 LYS 13 HZ3 LYS 13 -12.608 2.721 -6.329 111 H LEU 14 HN LEU 14 -7.829 1.132 -2.886 112 HA LEU 14 HA LEU 14 -7.511 1.216 -5.687 113 HB2 LEU 14 HB2 LEU 14 -5.494 1.056 -3.434 114 HB3 LEU 14 HB1 LEU 14 -5.045 1.290 -5.119 115 HG LEU 14 HG LEU 14 -7.070 3.085 -3.780 116 HD11 LEU 14 HD11 LEU 14 -5.200 3.413 -2.376 117 HD12 LEU 14 HD12 LEU 14 -5.027 4.677 -3.589 118 HD13 LEU 14 HD13 LEU 14 -4.054 3.210 -3.699 119 HD21 LEU 14 HD21 LEU 14 -6.067 4.660 -5.550 120 HD22 LEU 14 HD22 LEU 14 -7.061 3.342 -6.147 121 HD23 LEU 14 HD23 LEU 14 -5.305 3.224 -6.233 122 H LEU 15 HN LEU 15 -6.684 -1.261 -3.297 123 HA LEU 15 HA LEU 15 -5.397 -3.028 -5.104 124 HB2 LEU 15 HB2 LEU 15 -6.769 -3.505 -2.454 125 HB3 LEU 15 HB1 LEU 15 -5.880 -4.747 -3.326 126 HG LEU 15 HG LEU 15 -4.679 -2.074 -2.552 127 HD11 LEU 15 HD11 LEU 15 -5.303 -3.354 -0.534 128 HD12 LEU 15 HD12 LEU 15 -3.551 -3.299 -0.733 129 HD13 LEU 15 HD13 LEU 15 -4.443 -4.760 -1.162 130 HD21 LEU 15 HD21 LEU 15 -3.328 -2.933 -4.250 131 HD22 LEU 15 HD22 LEU 15 -3.678 -4.610 -3.833 132 HD23 LEU 15 HD23 LEU 15 -2.577 -3.662 -2.842 133 H ASP 16 HN ASP 16 -8.744 -2.681 -4.049 134 HA ASP 16 HA ASP 16 -9.776 -5.004 -5.272 135 HB2 ASP 16 HB2 ASP 16 -11.036 -2.353 -4.567 136 HB3 ASP 16 HB1 ASP 16 -11.956 -3.697 -5.241 137 H ASP 17 HN ASP 17 -9.150 -1.762 -6.496 138 HA ASP 17 HA ASP 17 -10.510 -2.008 -8.961 139 HB2 ASP 17 HB2 ASP 17 -8.182 -0.296 -8.089 140 HB3 ASP 17 HB1 ASP 17 -8.911 -0.175 -9.690 141 H SER 18 HN SER 18 -7.825 -3.646 -7.803 142 HA SER 18 HA SER 18 -6.115 -3.835 -9.982 143 HB2 SER 18 HB2 SER 18 -5.598 -4.773 -7.762 144 HB3 SER 18 HB1 SER 18 -6.833 -6.003 -8.007 145 HG SER 18 HG SER 18 -4.719 -6.727 -8.564 146 H SER 19 HN SER 19 -9.161 -5.409 -9.372 147 HA SER 19 HA SER 19 -8.928 -7.233 -11.593 148 HB2 SER 19 HB2 SER 19 -11.208 -7.875 -11.062 149 HB3 SER 19 HB1 SER 19 -10.286 -7.748 -9.567 150 HG SER 19 HG SER 19 -11.694 -6.317 -8.977 151 H SER 20 HN SER 20 -9.613 -3.974 -11.299 152 HA SER 20 HA SER 20 -11.496 -3.774 -13.492 153 HB2 SER 20 HB2 SER 20 -9.912 -1.506 -12.300 154 HB3 SER 20 HB1 SER 20 -11.476 -1.442 -13.108 155 HG SER 20 HG SER 20 -11.401 -3.149 -10.967 156 H1 LYS 1 HN LYS 1 -11.071 -2.892 -15.535 157 HA LYS 1 HA LYS 1 -8.388 -3.414 -16.526 158 HB2 LYS 1 HB2 LYS 1 -10.959 -2.612 -17.895 159 HB3 LYS 1 HB1 LYS 1 -9.434 -2.861 -18.745 160 HG2 LYS 1 HG2 LYS 1 -9.330 -5.173 -17.890 161 HG3 LYS 1 HG1 LYS 1 -10.855 -4.927 -17.038 162 HD2 LYS 1 HD2 LYS 1 -11.992 -4.491 -19.181 163 HD3 LYS 1 HD1 LYS 1 -10.470 -4.730 -20.039 164 HE2 LYS 1 HE2 LYS 1 -10.348 -7.042 -19.214 165 HE3 LYS 1 HE1 LYS 1 -11.853 -6.813 -18.322 166 HZ1 LYS 1 HZ1 LYS 1 -12.055 -7.905 -20.559 167 HZ2 LYS 1 HZ2 LYS 1 -11.648 -6.406 -21.250 168 HZ3 LYS 1 HZ3 LYS 1 -13.055 -6.559 -20.311 169 H ASN 2 HN ASN 2 -9.461 -0.953 -14.859 170 HA ASN 2 HA ASN 2 -9.053 1.327 -16.444 171 HB2 ASN 2 HB2 ASN 2 -8.742 2.506 -14.258 172 HB3 ASN 2 HB1 ASN 2 -10.169 1.485 -14.292 173 HD21 ASN 2 HD21 ASN 2 -9.075 2.138 -11.802 174 HD22 ASN 2 HD22 ASN 2 -8.319 0.774 -11.133 175 HA PRO 3 HA PRO 3 -4.685 1.526 -16.990 176 HB2 PRO 3 HB2 PRO 3 -4.272 4.253 -16.681 177 HB3 PRO 3 HB1 PRO 3 -4.907 3.496 -18.153 178 HG2 PRO 3 HG2 PRO 3 -6.377 4.848 -15.933 179 HG3 PRO 3 HG1 PRO 3 -6.650 4.930 -17.684 180 HD2 PRO 3 HD2 PRO 3 -8.195 3.423 -16.100 181 HD3 PRO 3 HD1 PRO 3 -7.788 2.892 -17.738 182 H GLU 4 HN GLU 4 -6.164 2.712 -14.095 183 HA GLU 4 HA GLU 4 -3.844 3.392 -12.614 184 HB2 GLU 4 HB2 GLU 4 -6.532 2.382 -11.649 185 HB3 GLU 4 HB1 GLU 4 -5.298 3.134 -10.637 186 HG2 GLU 4 HG2 GLU 4 -6.577 4.464 -13.039 187 HG3 GLU 4 HG1 GLU 4 -7.071 4.742 -11.370 188 H ALA 5 HN ALA 5 -4.991 0.414 -13.742 189 HA ALA 5 HA ALA 5 -4.315 -1.369 -11.696 190 HB1 ALA 5 HB1 ALA 5 -3.865 -1.959 -14.617 191 HB2 ALA 5 HB2 ALA 5 -5.487 -1.846 -13.930 192 HB3 ALA 5 HB3 ALA 5 -4.359 -3.066 -13.337 193 H GLU 6 HN GLU 6 -2.316 0.482 -13.844 194 HA GLU 6 HA GLU 6 0.057 -1.027 -13.768 195 HB2 GLU 6 HB2 GLU 6 -0.416 1.953 -14.004 196 HB3 GLU 6 HB1 GLU 6 1.173 1.205 -14.177 197 HG2 GLU 6 HG2 GLU 6 0.367 -0.161 -16.033 198 HG3 GLU 6 HG1 GLU 6 -1.262 0.478 -15.829 199 H GLU 7 HN GLU 7 -1.289 1.346 -11.521 200 HA GLU 7 HA GLU 7 0.971 1.570 -9.833 201 HB2 GLU 7 HB2 GLU 7 -1.978 2.035 -9.400 202 HB3 GLU 7 HB1 GLU 7 -0.795 2.285 -8.114 203 HG2 GLU 7 HG2 GLU 7 -0.619 3.590 -10.844 204 HG3 GLU 7 HG1 GLU 7 -1.328 4.366 -9.429 205 H ILE 8 HN ILE 8 -1.757 -0.660 -9.901 206 HA ILE 8 HA ILE 8 -1.299 -1.932 -7.419 207 HB ILE 8 HB ILE 8 -2.629 -2.781 -9.985 208 HG12 ILE 8 HG12 ILE 8 -4.627 -2.685 -8.591 209 HG13 ILE 8 HG11 ILE 8 -3.647 -2.396 -7.157 210 HG21 ILE 8 HG21 ILE 8 -1.792 -4.865 -9.241 211 HG22 ILE 8 HG22 ILE 8 -3.408 -4.787 -8.555 212 HG23 ILE 8 HG23 ILE 8 -2.011 -4.440 -7.543 213 HD11 ILE 8 HD11 ILE 8 -2.985 -0.241 -7.911 214 HD12 ILE 8 HD12 ILE 8 -4.713 -0.332 -8.243 215 HD13 ILE 8 HD13 ILE 8 -3.554 -0.559 -9.553 216 H THR 9 HN THR 9 -0.101 -2.653 -10.690 217 HA THR 9 HA THR 9 1.374 -4.970 -10.042 218 HB THR 9 HB THR 9 1.903 -2.889 -12.177 219 HG1 THR 9 HG1 THR 9 0.462 -5.329 -12.136 220 HG21 THR 9 HG21 THR 9 3.890 -4.177 -11.936 221 HG22 THR 9 HG22 THR 9 3.018 -4.914 -13.280 222 HG23 THR 9 HG23 THR 9 2.983 -5.667 -11.687 223 H ARG 10 HN ARG 10 2.252 -1.530 -10.028 224 HA ARG 10 HA ARG 10 4.980 -1.843 -9.359 225 HB2 ARG 10 HB2 ARG 10 3.845 0.280 -10.141 226 HB3 ARG 10 HB1 ARG 10 3.194 0.446 -8.510 227 HG2 ARG 10 HG2 ARG 10 5.626 0.217 -7.702 228 HG3 ARG 10 HG1 ARG 10 6.089 0.478 -9.381 229 HD2 ARG 10 HD2 ARG 10 4.469 2.351 -7.637 230 HD3 ARG 10 HD1 ARG 10 6.109 2.613 -8.222 231 HE ARG 10 HE ARG 10 3.660 2.956 -9.727 232 HH11 ARG 10 HH11 ARG 10 3.927 3.788 -11.828 233 HH12 ARG 10 HH12 ARG 10 5.504 3.824 -12.544 234 HH21 ARG 10 HH21 ARG 10 7.073 2.407 -9.796 235 HH22 ARG 10 HH22 ARG 10 7.285 3.042 -11.393 236 H CYS 11 HN CYS 11 2.047 -1.600 -7.379 237 HA CYS 11 HA CYS 11 3.192 -1.368 -4.849 238 HB2 CYS 11 HB2 CYS 11 0.703 -1.351 -5.550 239 HB3 CYS 11 HB1 CYS 11 0.782 -3.101 -5.366 240 H LYS 12 HN LYS 12 2.387 -4.324 -6.672 241 HA LYS 12 HA LYS 12 3.297 -6.168 -4.741 242 HB2 LYS 12 HB2 LYS 12 1.881 -6.766 -6.692 243 HB3 LYS 12 HB1 LYS 12 3.265 -6.492 -7.750 244 HG2 LYS 12 HG2 LYS 12 4.538 -8.235 -6.566 245 HG3 LYS 12 HG1 LYS 12 3.173 -8.498 -5.480 246 HD2 LYS 12 HD2 LYS 12 1.767 -9.146 -7.400 247 HD3 LYS 12 HD1 LYS 12 3.133 -8.889 -8.486 248 HE2 LYS 12 HE2 LYS 12 4.415 -10.625 -7.296 249 HE3 LYS 12 HE1 LYS 12 3.057 -10.882 -6.201 250 HZ1 LYS 12 HZ1 LYS 12 2.568 -11.048 -9.083 251 HZ2 LYS 12 HZ2 LYS 12 1.825 -11.889 -7.807 252 HZ3 LYS 12 HZ3 LYS 12 3.375 -12.341 -8.337 253 H LYS 13 HN LYS 13 4.943 -4.623 -7.481 254 HA LYS 13 HA LYS 13 7.393 -5.975 -7.219 255 HB2 LYS 13 HB2 LYS 13 6.804 -4.670 -9.218 256 HB3 LYS 13 HB1 LYS 13 6.864 -3.185 -8.270 257 HG2 LYS 13 HG2 LYS 13 8.971 -3.454 -9.468 258 HG3 LYS 13 HG1 LYS 13 9.263 -3.663 -7.748 259 HD2 LYS 13 HD2 LYS 13 9.459 -6.013 -7.937 260 HD3 LYS 13 HD1 LYS 13 8.679 -6.034 -9.521 261 HE2 LYS 13 HE2 LYS 13 11.117 -6.357 -9.712 262 HE3 LYS 13 HE1 LYS 13 10.614 -4.850 -10.479 263 HZ1 LYS 13 HZ1 LYS 13 12.622 -4.826 -8.901 264 HZ2 LYS 13 HZ2 LYS 13 11.465 -4.877 -7.658 265 HZ3 LYS 13 HZ3 LYS 13 11.471 -3.589 -8.766 266 H LEU 14 HN LEU 14 6.196 -2.964 -5.794 267 HA LEU 14 HA LEU 14 8.585 -2.184 -4.513 268 HB2 LEU 14 HB2 LEU 14 5.678 -1.657 -3.857 269 HB3 LEU 14 HB1 LEU 14 7.012 -0.905 -2.992 270 HG LEU 14 HG LEU 14 6.848 -0.774 -6.005 271 HD11 LEU 14 HD11 LEU 14 4.792 0.226 -5.461 272 HD12 LEU 14 HD12 LEU 14 5.890 1.602 -5.482 273 HD13 LEU 14 HD13 LEU 14 5.400 0.890 -3.945 274 HD21 LEU 14 HD21 LEU 14 8.094 1.404 -5.460 275 HD22 LEU 14 HD22 LEU 14 8.972 -0.088 -5.158 276 HD23 LEU 14 HD23 LEU 14 8.241 0.788 -3.815 277 H LEU 15 HN LEU 15 5.895 -4.222 -3.443 278 HA LEU 15 HA LEU 15 6.836 -4.628 -0.798 279 HB2 LEU 15 HB2 LEU 15 5.007 -6.265 -2.563 280 HB3 LEU 15 HB1 LEU 15 5.323 -6.647 -0.875 281 HG LEU 15 HG LEU 15 4.309 -3.945 -1.803 282 HD11 LEU 15 HD11 LEU 15 2.680 -5.748 -2.336 283 HD12 LEU 15 HD12 LEU 15 2.092 -4.683 -1.059 284 HD13 LEU 15 HD13 LEU 15 2.737 -6.273 -0.653 285 HD21 LEU 15 HD21 LEU 15 5.171 -3.608 0.333 286 HD22 LEU 15 HD22 LEU 15 4.856 -5.265 0.847 287 HD23 LEU 15 HD23 LEU 15 3.537 -4.108 0.738 288 H ASP 16 HN ASP 16 7.357 -6.357 -3.829 289 HA ASP 16 HA ASP 16 8.734 -8.580 -2.773 290 HB2 ASP 16 HB2 ASP 16 8.837 -7.230 -5.471 291 HB3 ASP 16 HB1 ASP 16 9.733 -8.703 -5.104 292 H ASP 17 HN ASP 17 9.797 -5.351 -3.688 293 HA ASP 17 HA ASP 17 12.584 -5.807 -3.567 294 HB2 ASP 17 HB2 ASP 17 10.917 -3.318 -3.190 295 HB3 ASP 17 HB1 ASP 17 12.680 -3.303 -3.164 296 H SER 18 HN SER 18 10.268 -5.936 -1.147 297 HA SER 18 HA SER 18 11.479 -4.748 1.054 298 HB2 SER 18 HB2 SER 18 9.190 -5.668 1.089 299 HB3 SER 18 HB1 SER 18 9.855 -7.294 0.988 300 HG SER 18 HG SER 18 9.371 -6.582 3.152 301 H SER 19 HN SER 19 12.120 -7.806 -0.491 302 HA SER 19 HA SER 19 13.885 -8.747 1.584 303 HB2 SER 19 HB2 SER 19 14.344 -10.605 0.084 304 HB3 SER 19 HB1 SER 19 12.611 -10.295 0.110 305 HG SER 19 HG SER 19 12.777 -10.013 -1.957 306 H SER 20 HN SER 20 14.159 -6.510 -0.886 307 HA SER 20 HA SER 20 16.957 -6.946 -1.498 308 HB2 SER 20 HB2 SER 20 15.373 -4.454 -2.101 309 HB3 SER 20 HB1 SER 20 16.779 -5.088 -2.952 310 HG SER 20 HG SER 20 14.676 -6.844 -2.771 311 H1 LYS 1 HN LYS 1 18.686 -5.658 -0.848 312 HA LYS 1 HA LYS 1 18.386 -4.440 1.768 313 HB2 LYS 1 HB2 LYS 1 20.786 -4.889 -0.015 314 HB3 LYS 1 HB1 LYS 1 20.871 -4.141 1.581 315 HG2 LYS 1 HG2 LYS 1 19.880 -6.164 2.589 316 HG3 LYS 1 HG1 LYS 1 19.794 -6.915 0.995 317 HD2 LYS 1 HD2 LYS 1 22.241 -6.767 0.780 318 HD3 LYS 1 HD1 LYS 1 22.340 -5.999 2.364 319 HE2 LYS 1 HE2 LYS 1 21.354 -8.005 3.404 320 HE3 LYS 1 HE1 LYS 1 21.247 -8.776 1.822 321 HZ1 LYS 1 HZ1 LYS 1 23.252 -9.337 3.229 322 HZ2 LYS 1 HZ2 LYS 1 23.806 -7.764 2.906 323 HZ3 LYS 1 HZ3 LYS 1 23.562 -8.860 1.631 324 H ASN 2 HN ASN 2 17.533 -3.304 -1.055 325 HA ASN 2 HA ASN 2 18.962 -0.916 -1.421 326 HB2 ASN 2 HB2 ASN 2 16.960 -0.189 -2.733 327 HB3 ASN 2 HB1 ASN 2 17.517 -1.795 -3.168 328 HD21 ASN 2 HD21 ASN 2 14.854 -1.091 -3.719 329 HD22 ASN 2 HD22 ASN 2 13.819 -1.932 -2.670 330 HA PRO 3 HA PRO 3 17.597 1.698 1.849 331 HB2 PRO 3 HB2 PRO 3 17.364 4.107 0.494 332 HB3 PRO 3 HB1 PRO 3 18.900 3.410 1.040 333 HG2 PRO 3 HG2 PRO 3 17.637 3.325 -1.664 334 HG3 PRO 3 HG1 PRO 3 19.337 3.568 -1.220 335 HD2 PRO 3 HD2 PRO 3 18.453 1.205 -2.115 336 HD3 PRO 3 HD1 PRO 3 19.711 1.286 -0.875 337 H GLU 4 HN GLU 4 15.721 1.343 -1.034 338 HA GLU 4 HA GLU 4 13.446 2.880 -0.318 339 HB2 GLU 4 HB2 GLU 4 13.640 0.429 -2.087 340 HB3 GLU 4 HB1 GLU 4 12.273 1.541 -2.018 341 HG2 GLU 4 HG2 GLU 4 15.101 2.364 -2.726 342 HG3 GLU 4 HG1 GLU 4 13.842 2.025 -3.911 343 H ALA 5 HN ALA 5 14.724 0.031 0.979 344 HA ALA 5 HA ALA 5 12.457 -1.461 1.657 345 HB1 ALA 5 HB1 ALA 5 14.841 -1.156 3.475 346 HB2 ALA 5 HB2 ALA 5 14.934 -2.062 1.964 347 HB3 ALA 5 HB3 ALA 5 13.819 -2.573 3.231 348 H GLU 6 HN GLU 6 13.667 1.536 2.918 349 HA GLU 6 HA GLU 6 12.458 1.551 5.458 350 HB2 GLU 6 HB2 GLU 6 13.115 3.793 3.536 351 HB3 GLU 6 HB1 GLU 6 12.521 4.064 5.176 352 HG2 GLU 6 HG2 GLU 6 14.425 2.868 6.111 353 HG3 GLU 6 HG1 GLU 6 14.993 2.448 4.496 354 H GLU 7 HN GLU 7 11.202 2.344 2.255 355 HA GLU 7 HA GLU 7 8.733 3.442 3.104 356 HB2 GLU 7 HB2 GLU 7 9.650 2.173 0.528 357 HB3 GLU 7 HB1 GLU 7 8.003 2.769 0.735 358 HG2 GLU 7 HG2 GLU 7 10.486 4.444 1.207 359 HG3 GLU 7 HG1 GLU 7 9.557 4.455 -0.293 360 H ILE 8 HN ILE 8 9.779 0.156 2.395 361 HA ILE 8 HA ILE 8 7.246 -1.099 2.469 362 HB ILE 8 HB ILE 8 10.060 -2.045 2.992 363 HG12 ILE 8 HG12 ILE 8 9.677 -3.281 0.927 364 HG13 ILE 8 HG11 ILE 8 7.984 -2.794 0.913 365 HG21 ILE 8 HG21 ILE 8 8.849 -3.445 4.473 366 HG22 ILE 8 HG22 ILE 8 8.950 -4.372 2.987 367 HG23 ILE 8 HG23 ILE 8 7.461 -3.529 3.387 368 HD11 ILE 8 HD11 ILE 8 8.526 -0.525 0.476 369 HD12 ILE 8 HD12 ILE 8 9.588 -1.451 -0.584 370 HD13 ILE 8 HD13 ILE 8 10.222 -0.766 0.910 371 H THR 9 HN THR 9 9.629 -0.436 5.027 372 HA THR 9 HA THR 9 8.245 -1.675 7.151 373 HB THR 9 HB THR 9 10.108 0.712 7.189 374 HG1 THR 9 HG1 THR 9 10.486 -2.074 7.555 375 HG21 THR 9 HG21 THR 9 8.905 0.692 9.256 376 HG22 THR 9 HG22 THR 9 10.456 -0.083 9.583 377 HG23 THR 9 HG23 THR 9 9.006 -1.065 9.373 378 H ARG 10 HN ARG 10 8.113 1.626 5.851 379 HA ARG 10 HA ARG 10 6.319 2.704 7.753 380 HB2 ARG 10 HB2 ARG 10 7.671 3.990 6.040 381 HB3 ARG 10 HB1 ARG 10 6.489 3.481 4.834 382 HG2 ARG 10 HG2 ARG 10 4.710 4.443 6.425 383 HG3 ARG 10 HG1 ARG 10 6.048 5.216 7.268 384 HD2 ARG 10 HD2 ARG 10 5.302 5.567 4.355 385 HD3 ARG 10 HD1 ARG 10 5.146 6.771 5.631 386 HE ARG 10 HE ARG 10 7.573 6.027 4.242 387 HH11 ARG 10 HH11 ARG 10 9.415 7.246 4.790 388 HH12 ARG 10 HH12 ARG 10 9.390 8.249 6.202 389 HH21 ARG 10 HH21 ARG 10 6.140 7.406 7.070 390 HH22 ARG 10 HH22 ARG 10 7.537 8.339 7.493 391 H CYS 11 HN CYS 11 5.812 0.965 4.703 392 HA CYS 11 HA CYS 11 3.061 1.298 4.410 393 HB2 CYS 11 HB2 CYS 11 4.757 0.110 2.864 394 HB3 CYS 11 HB1 CYS 11 4.435 -1.323 3.838 395 H LYS 12 HN LYS 12 4.826 -1.223 6.209 396 HA LYS 12 HA LYS 12 2.558 -2.615 7.146 397 HB2 LYS 12 HB2 LYS 12 4.877 -3.502 7.219 398 HB3 LYS 12 HB1 LYS 12 5.256 -2.339 8.491 399 HG2 LYS 12 HG2 LYS 12 3.517 -3.318 9.928 400 HG3 LYS 12 HG1 LYS 12 3.096 -4.461 8.653 401 HD2 LYS 12 HD2 LYS 12 5.378 -5.398 8.739 402 HD3 LYS 12 HD1 LYS 12 5.795 -4.261 10.022 403 HE2 LYS 12 HE2 LYS 12 4.021 -5.228 11.449 404 HE3 LYS 12 HE1 LYS 12 3.627 -6.377 10.170 405 HZ1 LYS 12 HZ1 LYS 12 6.414 -6.231 11.016 406 HZ2 LYS 12 HZ2 LYS 12 5.493 -7.576 10.534 407 HZ3 LYS 12 HZ3 LYS 12 5.321 -6.941 12.101 408 H LYS 13 HN LYS 13 4.433 0.053 8.550 409 HA LYS 13 HA LYS 13 3.041 0.206 10.987 410 HB2 LYS 13 HB2 LYS 13 5.194 1.338 10.607 411 HB3 LYS 13 HB1 LYS 13 4.420 2.417 9.447 412 HG2 LYS 13 HG2 LYS 13 4.576 3.548 11.599 413 HG3 LYS 13 HG1 LYS 13 2.887 3.200 11.265 414 HD2 LYS 13 HD2 LYS 13 2.819 1.405 12.803 415 HD3 LYS 13 HD1 LYS 13 4.579 1.276 12.858 416 HE2 LYS 13 HE2 LYS 13 3.680 2.346 14.894 417 HE3 LYS 13 HE1 LYS 13 4.699 3.460 13.981 418 HZ1 LYS 13 HZ1 LYS 13 2.440 4.286 14.806 419 HZ2 LYS 13 HZ2 LYS 13 1.783 3.363 13.541 420 HZ3 LYS 13 HZ3 LYS 13 2.871 4.623 13.201 421 H LEU 14 HN LEU 14 2.506 1.774 7.858 422 HA LEU 14 HA LEU 14 0.388 3.460 8.647 423 HB2 LEU 14 HB2 LEU 14 1.094 2.213 5.982 424 HB3 LEU 14 HB1 LEU 14 -0.208 3.378 6.181 425 HG LEU 14 HG LEU 14 2.578 3.977 7.185 426 HD11 LEU 14 HD11 LEU 14 3.051 3.588 4.914 427 HD12 LEU 14 HD12 LEU 14 2.708 5.316 4.948 428 HD13 LEU 14 HD13 LEU 14 1.479 4.185 4.382 429 HD21 LEU 14 HD21 LEU 14 1.702 6.333 6.637 430 HD22 LEU 14 HD22 LEU 14 0.949 5.520 8.001 431 HD23 LEU 14 HD23 LEU 14 0.117 5.584 6.448 432 H LEU 15 HN LEU 15 0.418 0.141 7.413 433 HA LEU 15 HA LEU 15 -2.395 -0.175 7.280 434 HB2 LEU 15 HB2 LEU 15 -0.151 -2.177 7.564 435 HB3 LEU 15 HB1 LEU 15 -1.835 -2.635 7.346 436 HG LEU 15 HG LEU 15 -0.366 -0.779 5.452 437 HD11 LEU 15 HD11 LEU 15 0.682 -3.039 5.500 438 HD12 LEU 15 HD12 LEU 15 -0.121 -2.707 3.965 439 HD13 LEU 15 HD13 LEU 15 -0.895 -3.753 5.157 440 HD21 LEU 15 HD21 LEU 15 -2.644 -0.453 5.067 441 HD22 LEU 15 HD22 LEU 15 -3.075 -2.096 5.537 442 HD23 LEU 15 HD23 LEU 15 -2.324 -1.791 3.977 443 H ASP 16 HN ASP 16 -0.030 -0.751 9.829 444 HA ASP 16 HA ASP 16 -1.742 -2.045 11.659 445 HB2 ASP 16 HB2 ASP 16 0.742 -0.372 12.038 446 HB3 ASP 16 HB1 ASP 16 -0.090 -1.161 13.378 447 H ASP 17 HN ASP 17 -1.120 1.360 10.999 448 HA ASP 17 HA ASP 17 -2.475 2.449 13.223 449 HB2 ASP 17 HB2 ASP 17 -1.904 3.537 10.466 450 HB3 ASP 17 HB1 ASP 17 -2.692 4.487 11.724 451 H SER 18 HN SER 18 -3.659 0.647 10.657 452 HA SER 18 HA SER 18 -6.067 1.858 9.989 453 HB2 SER 18 HB2 SER 18 -5.189 -0.129 8.835 454 HB3 SER 18 HB1 SER 18 -5.494 -1.093 10.275 455 HG SER 18 HG SER 18 -7.181 -1.168 8.658 456 H SER 19 HN SER 19 -5.196 -0.015 12.795 457 HA SER 19 HA SER 19 -7.896 -0.221 13.782 458 HB2 SER 19 HB2 SER 19 -6.902 -1.238 15.746 459 HB3 SER 19 HB1 SER 19 -6.126 -1.903 14.312 460 HG SER 19 HG SER 19 -4.340 -1.197 15.144 461 H SER 20 HN SER 20 -5.592 2.210 13.708 462 HA SER 20 HA SER 20 -6.279 3.477 16.217 463 HB2 SER 20 HB2 SER 20 -4.854 4.782 13.908 464 HB3 SER 20 HB1 SER 20 -4.738 5.167 15.623 465 HG SER 20 HG SER 20 -4.156 2.560 15.068 466 H2 ZBR 100 HA3 TBS 100 -1.490 0.726 -2.029 467 H4 ZBR 100 HC3 TBS 100 0.187 1.411 1.887 468 H6 ZBR 100 HB3 TBS 100 2.683 -0.090 -1.290 469 H7 ZBR 100 HB11 TBS 100 1.617 0.292 -3.688 470 H7A ZBR 100 HB12 TBS 100 -0.130 0.047 -3.800 471 H8 ZBR 100 HA11 TBS 100 -2.576 2.269 -0.191 472 H8A ZBR 100 HA12 TBS 100 -2.043 1.993 1.472 473 H9 ZBR 100 HC11 TBS 100 2.824 1.578 1.842 474 H9A ZBR 100 HC12 TBS 100 3.650 0.439 0.773 Start of MODEL 12 1 H1 LYS 1 HN LYS 1 -7.603 5.567 16.699 2 HA LYS 1 HA LYS 1 -9.621 5.955 14.689 3 HB2 LYS 1 HB2 LYS 1 -9.022 7.411 17.271 4 HB3 LYS 1 HB1 LYS 1 -10.396 7.786 16.230 5 HG2 LYS 1 HG2 LYS 1 -11.207 5.471 16.448 6 HG3 LYS 1 HG1 LYS 1 -9.831 5.083 17.482 7 HD2 LYS 1 HD2 LYS 1 -10.577 6.779 19.115 8 HD3 LYS 1 HD1 LYS 1 -11.956 7.160 18.084 9 HE2 LYS 1 HE2 LYS 1 -12.777 4.851 18.304 10 HE3 LYS 1 HE1 LYS 1 -11.390 4.446 19.314 11 HZ1 LYS 1 HZ1 LYS 1 -12.364 5.337 21.080 12 HZ2 LYS 1 HZ2 LYS 1 -13.793 5.447 20.167 13 HZ3 LYS 1 HZ3 LYS 1 -12.734 6.773 20.257 14 H ASN 2 HN ASN 2 -6.603 6.689 14.417 15 HA ASN 2 HA ASN 2 -6.392 9.454 14.074 16 HB2 ASN 2 HB2 ASN 2 -4.481 8.862 12.519 17 HB3 ASN 2 HB1 ASN 2 -4.389 8.134 14.118 18 HD21 ASN 2 HD21 ASN 2 -3.153 7.078 11.659 19 HD22 ASN 2 HD22 ASN 2 -3.852 5.556 11.387 20 HA PRO 3 HA PRO 3 -8.708 10.332 10.408 21 HB2 PRO 3 HB2 PRO 3 -7.169 12.339 9.284 22 HB3 PRO 3 HB1 PRO 3 -8.235 12.578 10.681 23 HG2 PRO 3 HG2 PRO 3 -5.281 12.124 10.617 24 HG3 PRO 3 HG1 PRO 3 -6.224 13.259 11.600 25 HD2 PRO 3 HD2 PRO 3 -5.314 10.939 12.628 26 HD3 PRO 3 HD1 PRO 3 -6.879 11.613 13.121 27 H GLU 4 HN GLU 4 -5.421 9.316 10.236 28 HA GLU 4 HA GLU 4 -5.097 9.138 7.431 29 HB2 GLU 4 HB2 GLU 4 -3.802 7.601 9.689 30 HB3 GLU 4 HB1 GLU 4 -3.311 7.468 8.000 31 HG2 GLU 4 HG2 GLU 4 -2.820 9.864 7.921 32 HG3 GLU 4 HG1 GLU 4 -3.378 10.054 9.583 33 H ALA 5 HN ALA 5 -7.113 7.455 9.536 34 HA ALA 5 HA ALA 5 -7.123 4.851 8.526 35 HB1 ALA 5 HB1 ALA 5 -9.235 4.600 9.577 36 HB2 ALA 5 HB2 ALA 5 -9.622 6.311 9.387 37 HB3 ALA 5 HB3 ALA 5 -8.394 5.809 10.550 38 H GLU 6 HN GLU 6 -8.530 7.817 7.253 39 HA GLU 6 HA GLU 6 -10.267 6.667 5.350 40 HB2 GLU 6 HB2 GLU 6 -8.775 9.302 5.422 41 HB3 GLU 6 HB1 GLU 6 -9.929 8.891 4.153 42 HG2 GLU 6 HG2 GLU 6 -11.216 10.082 5.744 43 HG3 GLU 6 HG1 GLU 6 -11.583 8.395 6.080 44 H GLU 7 HN GLU 7 -6.827 7.482 5.244 45 HA GLU 7 HA GLU 7 -6.441 6.922 2.493 46 HB2 GLU 7 HB2 GLU 7 -4.797 8.193 3.803 47 HB3 GLU 7 HB1 GLU 7 -4.461 6.768 4.784 48 HG2 GLU 7 HG2 GLU 7 -2.749 7.012 3.045 49 HG3 GLU 7 HG1 GLU 7 -3.698 5.564 2.742 50 H ILE 8 HN ILE 8 -6.312 4.953 5.409 51 HA ILE 8 HA ILE 8 -5.234 2.608 4.238 52 HB ILE 8 HB ILE 8 -7.201 2.774 6.540 53 HG12 ILE 8 HG12 ILE 8 -5.360 4.295 6.974 54 HG13 ILE 8 HG11 ILE 8 -5.123 2.858 7.957 55 HG21 ILE 8 HG21 ILE 8 -6.670 0.585 7.034 56 HG22 ILE 8 HG22 ILE 8 -5.004 0.746 6.487 57 HG23 ILE 8 HG23 ILE 8 -6.293 0.493 5.320 58 HD11 ILE 8 HD11 ILE 8 -3.631 3.731 5.495 59 HD12 ILE 8 HD12 ILE 8 -3.669 2.027 5.953 60 HD13 ILE 8 HD13 ILE 8 -2.992 3.223 7.058 61 H THR 9 HN THR 9 -8.575 3.748 4.631 62 HA THR 9 HA THR 9 -9.869 1.451 3.649 63 HB THR 9 HB THR 9 -10.697 4.362 3.502 64 HG1 THR 9 HG1 THR 9 -10.688 3.902 5.580 65 HG21 THR 9 HG21 THR 9 -12.194 1.788 2.976 66 HG22 THR 9 HG22 THR 9 -12.020 3.182 1.909 67 HG23 THR 9 HG23 THR 9 -13.014 3.302 3.361 68 H ARG 10 HN ARG 10 -8.630 4.341 2.002 69 HA ARG 10 HA ARG 10 -9.534 3.648 -0.587 70 HB2 ARG 10 HB2 ARG 10 -7.264 5.404 0.357 71 HB3 ARG 10 HB1 ARG 10 -7.694 5.220 -1.343 72 HG2 ARG 10 HG2 ARG 10 -10.053 5.908 -0.729 73 HG3 ARG 10 HG1 ARG 10 -9.446 6.294 0.882 74 HD2 ARG 10 HD2 ARG 10 -8.320 7.466 -1.671 75 HD3 ARG 10 HD1 ARG 10 -9.532 8.266 -0.677 76 HE ARG 10 HE ARG 10 -6.703 7.913 -0.036 77 HH11 ARG 10 HH11 ARG 10 -6.026 9.091 1.811 78 HH12 ARG 10 HH12 ARG 10 -7.204 9.786 2.867 79 HH21 ARG 10 HH21 ARG 10 -9.917 8.677 1.027 80 HH22 ARG 10 HH22 ARG 10 -9.398 9.558 2.424 81 H CYS 11 HN CYS 11 -6.578 2.907 1.200 82 HA CYS 11 HA CYS 11 -5.039 1.801 -0.836 83 HB2 CYS 11 HB2 CYS 11 -4.390 2.187 1.588 84 HB3 CYS 11 HB1 CYS 11 -5.226 0.681 1.959 85 H LYS 12 HN LYS 12 -7.454 0.209 1.245 86 HA LYS 12 HA LYS 12 -7.238 -2.349 0.043 87 HB2 LYS 12 HB2 LYS 12 -9.459 -0.998 1.572 88 HB3 LYS 12 HB1 LYS 12 -9.539 -2.680 1.050 89 HG2 LYS 12 HG2 LYS 12 -7.412 -3.129 2.269 90 HG3 LYS 12 HG1 LYS 12 -7.422 -1.467 2.853 91 HD2 LYS 12 HD2 LYS 12 -9.727 -3.367 3.330 92 HD3 LYS 12 HD1 LYS 12 -8.376 -3.225 4.452 93 HE2 LYS 12 HE2 LYS 12 -8.862 -0.729 4.545 94 HE3 LYS 12 HE1 LYS 12 -10.346 -1.063 3.656 95 HZ1 LYS 12 HZ1 LYS 12 -11.299 -1.615 5.548 96 HZ2 LYS 12 HZ2 LYS 12 -9.849 -1.369 6.399 97 HZ3 LYS 12 HZ3 LYS 12 -10.201 -2.893 5.738 98 H LYS 13 HN LYS 13 -9.345 0.424 -0.582 99 HA LYS 13 HA LYS 13 -10.956 -0.810 -2.555 100 HB2 LYS 13 HB2 LYS 13 -11.576 1.290 -1.389 101 HB3 LYS 13 HB1 LYS 13 -10.299 2.130 -2.272 102 HG2 LYS 13 HG2 LYS 13 -11.359 1.580 -4.403 103 HG3 LYS 13 HG1 LYS 13 -12.598 0.636 -3.572 104 HD2 LYS 13 HD2 LYS 13 -13.332 2.678 -2.375 105 HD3 LYS 13 HD1 LYS 13 -12.125 3.614 -3.255 106 HE2 LYS 13 HE2 LYS 13 -14.369 2.034 -4.544 107 HE3 LYS 13 HE1 LYS 13 -14.374 3.780 -4.300 108 HZ1 LYS 13 HZ1 LYS 13 -12.228 3.792 -5.586 109 HZ2 LYS 13 HZ2 LYS 13 -13.626 3.430 -6.481 110 HZ3 LYS 13 HZ3 LYS 13 -12.565 2.186 -6.016 111 H LEU 14 HN LEU 14 -7.923 0.973 -2.722 112 HA LEU 14 HA LEU 14 -7.755 1.239 -5.519 113 HB2 LEU 14 HB2 LEU 14 -5.689 1.092 -3.323 114 HB3 LEU 14 HB1 LEU 14 -5.240 1.345 -5.005 115 HG LEU 14 HG LEU 14 -7.335 3.098 -3.704 116 HD11 LEU 14 HD11 LEU 14 -5.632 3.562 -2.182 117 HD12 LEU 14 HD12 LEU 14 -5.245 4.717 -3.448 118 HD13 LEU 14 HD13 LEU 14 -4.348 3.202 -3.335 119 HD21 LEU 14 HD21 LEU 14 -7.145 3.371 -6.095 120 HD22 LEU 14 HD22 LEU 14 -5.383 3.404 -6.010 121 HD23 LEU 14 HD23 LEU 14 -6.325 4.745 -5.358 122 H LEU 15 HN LEU 15 -6.682 -1.335 -3.334 123 HA LEU 15 HA LEU 15 -5.397 -2.905 -5.311 124 HB2 LEU 15 HB2 LEU 15 -6.612 -3.615 -2.642 125 HB3 LEU 15 HB1 LEU 15 -5.715 -4.764 -3.634 126 HG LEU 15 HG LEU 15 -4.613 -2.090 -2.723 127 HD11 LEU 15 HD11 LEU 15 -5.114 -3.691 -0.847 128 HD12 LEU 15 HD12 LEU 15 -3.411 -3.265 -1.004 129 HD13 LEU 15 HD13 LEU 15 -3.988 -4.825 -1.591 130 HD21 LEU 15 HD21 LEU 15 -3.249 -2.661 -4.518 131 HD22 LEU 15 HD22 LEU 15 -3.523 -4.392 -4.322 132 HD23 LEU 15 HD23 LEU 15 -2.420 -3.545 -3.240 133 H ASP 16 HN ASP 16 -8.705 -2.792 -4.106 134 HA ASP 16 HA ASP 16 -9.685 -5.086 -5.415 135 HB2 ASP 16 HB2 ASP 16 -11.030 -2.540 -4.511 136 HB3 ASP 16 HB1 ASP 16 -11.918 -3.890 -5.214 137 H ASP 17 HN ASP 17 -9.308 -1.754 -6.480 138 HA ASP 17 HA ASP 17 -10.751 -1.973 -8.904 139 HB2 ASP 17 HB2 ASP 17 -8.536 -0.119 -8.021 140 HB3 ASP 17 HB1 ASP 17 -9.335 0.021 -9.587 141 H SER 18 HN SER 18 -7.863 -3.410 -7.933 142 HA SER 18 HA SER 18 -6.310 -3.349 -10.257 143 HB2 SER 18 HB2 SER 18 -5.239 -5.362 -9.383 144 HB3 SER 18 HB1 SER 18 -5.507 -4.199 -8.085 145 HG SER 18 HG SER 18 -7.547 -5.406 -7.764 146 H SER 19 HN SER 19 -9.222 -4.979 -9.560 147 HA SER 19 HA SER 19 -8.932 -6.992 -11.621 148 HB2 SER 19 HB2 SER 19 -11.335 -6.152 -9.992 149 HB3 SER 19 HB1 SER 19 -11.301 -7.521 -11.101 150 HG SER 19 HG SER 19 -9.938 -7.137 -8.667 151 H SER 20 HN SER 20 -9.894 -3.766 -11.462 152 HA SER 20 HA SER 20 -11.629 -3.800 -13.783 153 HB2 SER 20 HB2 SER 20 -10.410 -1.461 -12.303 154 HB3 SER 20 HB1 SER 20 -11.655 -1.362 -13.544 155 HG SER 20 HG SER 20 -11.822 -2.692 -11.039 156 H1 LYS 1 HN LYS 1 -11.170 -2.857 -15.795 157 HA LYS 1 HA LYS 1 -8.474 -3.266 -16.704 158 HB2 LYS 1 HB2 LYS 1 -10.947 -2.224 -18.098 159 HB3 LYS 1 HB1 LYS 1 -9.398 -2.481 -18.904 160 HG2 LYS 1 HG2 LYS 1 -9.442 -4.856 -18.254 161 HG3 LYS 1 HG1 LYS 1 -10.985 -4.608 -17.437 162 HD2 LYS 1 HD2 LYS 1 -12.012 -3.926 -19.575 163 HD3 LYS 1 HD1 LYS 1 -10.470 -4.181 -20.394 164 HE2 LYS 1 HE2 LYS 1 -10.509 -6.558 -19.753 165 HE3 LYS 1 HE1 LYS 1 -12.040 -6.312 -18.914 166 HZ1 LYS 1 HZ1 LYS 1 -13.154 -6.423 -20.815 167 HZ2 LYS 1 HZ2 LYS 1 -11.724 -6.977 -21.546 168 HZ3 LYS 1 HZ3 LYS 1 -12.118 -5.325 -21.588 169 H ASN 2 HN ASN 2 -9.461 -0.974 -14.830 170 HA ASN 2 HA ASN 2 -9.031 1.467 -16.119 171 HB2 ASN 2 HB2 ASN 2 -8.482 2.309 -13.790 172 HB3 ASN 2 HB1 ASN 2 -10.023 1.477 -13.938 173 HD21 ASN 2 HD21 ASN 2 -8.423 1.727 -11.475 174 HD22 ASN 2 HD22 ASN 2 -8.008 0.149 -11.011 175 HA PRO 3 HA PRO 3 -4.672 1.619 -16.863 176 HB2 PRO 3 HB2 PRO 3 -4.161 4.306 -16.445 177 HB3 PRO 3 HB1 PRO 3 -4.950 3.666 -17.900 178 HG2 PRO 3 HG2 PRO 3 -6.182 4.897 -15.468 179 HG3 PRO 3 HG1 PRO 3 -6.580 5.144 -17.181 180 HD2 PRO 3 HD2 PRO 3 -8.076 3.537 -15.620 181 HD3 PRO 3 HD1 PRO 3 -7.792 3.154 -17.328 182 H GLU 4 HN GLU 4 -5.999 2.589 -13.836 183 HA GLU 4 HA GLU 4 -3.622 3.140 -12.402 184 HB2 GLU 4 HB2 GLU 4 -6.333 2.174 -11.479 185 HB3 GLU 4 HB1 GLU 4 -5.030 2.633 -10.383 186 HG2 GLU 4 HG2 GLU 4 -4.966 4.880 -11.347 187 HG3 GLU 4 HG1 GLU 4 -6.209 4.437 -12.516 188 H ALA 5 HN ALA 5 -4.800 0.275 -13.723 189 HA ALA 5 HA ALA 5 -4.084 -1.670 -11.850 190 HB1 ALA 5 HB1 ALA 5 -4.145 -3.221 -13.650 191 HB2 ALA 5 HB2 ALA 5 -3.695 -1.991 -14.830 192 HB3 ALA 5 HB3 ALA 5 -5.300 -1.965 -14.098 193 H GLU 6 HN GLU 6 -2.115 0.226 -14.071 194 HA GLU 6 HA GLU 6 0.252 -1.300 -13.937 195 HB2 GLU 6 HB2 GLU 6 -0.244 1.653 -14.372 196 HB3 GLU 6 HB1 GLU 6 1.358 0.926 -14.487 197 HG2 GLU 6 HG2 GLU 6 0.571 0.909 -16.714 198 HG3 GLU 6 HG1 GLU 6 0.264 -0.731 -16.159 199 H GLU 7 HN GLU 7 -1.045 1.258 -11.868 200 HA GLU 7 HA GLU 7 1.233 1.517 -10.203 201 HB2 GLU 7 HB2 GLU 7 -0.536 3.216 -10.243 202 HB3 GLU 7 HB1 GLU 7 -1.682 2.056 -9.576 203 HG2 GLU 7 HG2 GLU 7 -0.814 3.507 -7.798 204 HG3 GLU 7 HG1 GLU 7 -0.276 1.855 -7.535 205 H ILE 8 HN ILE 8 -1.607 -0.562 -10.115 206 HA ILE 8 HA ILE 8 -1.182 -1.672 -7.542 207 HB ILE 8 HB ILE 8 -2.426 -3.033 -9.948 208 HG12 ILE 8 HG12 ILE 8 -3.470 -0.862 -9.647 209 HG13 ILE 8 HG11 ILE 8 -4.572 -2.086 -9.037 210 HG21 ILE 8 HG21 ILE 8 -3.246 -4.631 -8.504 211 HG22 ILE 8 HG22 ILE 8 -3.466 -3.486 -7.186 212 HG23 ILE 8 HG23 ILE 8 -1.878 -4.165 -7.505 213 HD11 ILE 8 HD11 ILE 8 -2.905 -0.109 -7.502 214 HD12 ILE 8 HD12 ILE 8 -3.432 -1.607 -6.734 215 HD13 ILE 8 HD13 ILE 8 -4.624 -0.464 -7.350 216 H THR 9 HN THR 9 -0.039 -2.634 -10.766 217 HA THR 9 HA THR 9 1.219 -5.034 -10.011 218 HB THR 9 HB THR 9 1.930 -3.077 -12.213 219 HG1 THR 9 HG1 THR 9 0.006 -3.832 -12.737 220 HG21 THR 9 HG21 THR 9 2.844 -5.891 -11.610 221 HG22 THR 9 HG22 THR 9 3.835 -4.462 -11.899 222 HG23 THR 9 HG23 THR 9 2.941 -5.198 -13.229 223 H ARG 10 HN ARG 10 2.402 -1.689 -10.119 224 HA ARG 10 HA ARG 10 5.069 -2.266 -9.372 225 HB2 ARG 10 HB2 ARG 10 3.385 0.229 -9.096 226 HB3 ARG 10 HB1 ARG 10 5.085 0.164 -8.629 227 HG2 ARG 10 HG2 ARG 10 5.602 -0.660 -10.967 228 HG3 ARG 10 HG1 ARG 10 3.923 -0.318 -11.385 229 HD2 ARG 10 HD2 ARG 10 5.824 1.730 -10.225 230 HD3 ARG 10 HD1 ARG 10 5.516 1.547 -11.947 231 HE ARG 10 HE ARG 10 3.697 2.666 -9.957 232 HH11 ARG 10 HH11 ARG 10 1.831 3.646 -10.865 233 HH12 ARG 10 HH12 ARG 10 1.440 3.373 -12.526 234 HH21 ARG 10 HH21 ARG 10 4.178 1.343 -13.127 235 HH22 ARG 10 HH22 ARG 10 2.764 2.079 -13.804 236 H CYS 11 HN CYS 11 2.146 -1.603 -7.498 237 HA CYS 11 HA CYS 11 3.250 -1.296 -4.964 238 HB2 CYS 11 HB2 CYS 11 0.820 -1.070 -5.648 239 HB3 CYS 11 HB1 CYS 11 0.719 -2.827 -5.554 240 H LYS 12 HN LYS 12 2.266 -4.303 -6.607 241 HA LYS 12 HA LYS 12 3.058 -6.045 -4.519 242 HB2 LYS 12 HB2 LYS 12 2.719 -6.449 -7.487 243 HB3 LYS 12 HB1 LYS 12 3.094 -7.767 -6.378 244 HG2 LYS 12 HG2 LYS 12 1.063 -7.199 -5.055 245 HG3 LYS 12 HG1 LYS 12 0.668 -5.950 -6.235 246 HD2 LYS 12 HD2 LYS 12 1.056 -8.847 -7.013 247 HD3 LYS 12 HD1 LYS 12 -0.514 -8.202 -6.543 248 HE2 LYS 12 HE2 LYS 12 -0.208 -6.438 -8.350 249 HE3 LYS 12 HE1 LYS 12 1.196 -7.352 -8.897 250 HZ1 LYS 12 HZ1 LYS 12 -0.150 -8.679 -10.000 251 HZ2 LYS 12 HZ2 LYS 12 -1.510 -7.836 -9.430 252 HZ3 LYS 12 HZ3 LYS 12 -0.892 -9.153 -8.551 253 H LYS 13 HN LYS 13 4.733 -4.812 -7.378 254 HA LYS 13 HA LYS 13 7.097 -6.337 -7.071 255 HB2 LYS 13 HB2 LYS 13 6.472 -5.175 -9.171 256 HB3 LYS 13 HB1 LYS 13 6.795 -3.628 -8.385 257 HG2 LYS 13 HG2 LYS 13 9.124 -4.262 -8.009 258 HG3 LYS 13 HG1 LYS 13 8.823 -5.862 -8.687 259 HD2 LYS 13 HD2 LYS 13 8.217 -4.822 -10.851 260 HD3 LYS 13 HD1 LYS 13 8.566 -3.232 -10.173 261 HE2 LYS 13 HE2 LYS 13 10.565 -5.503 -10.386 262 HE3 LYS 13 HE1 LYS 13 10.479 -4.126 -11.485 263 HZ1 LYS 13 HZ1 LYS 13 10.706 -2.713 -9.417 264 HZ2 LYS 13 HZ2 LYS 13 12.091 -3.565 -9.909 265 HZ3 LYS 13 HZ3 LYS 13 11.159 -4.132 -8.606 266 H LEU 14 HN LEU 14 6.105 -3.190 -5.834 267 HA LEU 14 HA LEU 14 8.580 -2.366 -4.774 268 HB2 LEU 14 HB2 LEU 14 5.711 -1.762 -4.051 269 HB3 LEU 14 HB1 LEU 14 7.060 -0.997 -3.220 270 HG LEU 14 HG LEU 14 6.918 -0.953 -6.242 271 HD11 LEU 14 HD11 LEU 14 4.853 0.064 -5.887 272 HD12 LEU 14 HD12 LEU 14 5.911 1.461 -5.760 273 HD13 LEU 14 HD13 LEU 14 5.302 0.683 -4.299 274 HD21 LEU 14 HD21 LEU 14 9.006 -0.174 -5.291 275 HD22 LEU 14 HD22 LEU 14 8.154 0.822 -4.108 276 HD23 LEU 14 HD23 LEU 14 8.106 1.245 -5.820 277 H LEU 15 HN LEU 15 5.945 -4.280 -3.381 278 HA LEU 15 HA LEU 15 7.058 -4.500 -0.787 279 HB2 LEU 15 HB2 LEU 15 5.102 -6.230 -2.300 280 HB3 LEU 15 HB1 LEU 15 5.526 -6.499 -0.610 281 HG LEU 15 HG LEU 15 4.453 -3.876 -1.690 282 HD11 LEU 15 HD11 LEU 15 2.843 -5.806 -1.866 283 HD12 LEU 15 HD12 LEU 15 2.299 -4.493 -0.824 284 HD13 LEU 15 HD13 LEU 15 2.946 -5.972 -0.113 285 HD21 LEU 15 HD21 LEU 15 5.459 -3.275 0.321 286 HD22 LEU 15 HD22 LEU 15 5.250 -4.874 1.034 287 HD23 LEU 15 HD23 LEU 15 3.882 -3.769 0.925 288 H ASP 16 HN ASP 16 7.373 -6.429 -3.715 289 HA ASP 16 HA ASP 16 8.786 -8.601 -2.609 290 HB2 ASP 16 HB2 ASP 16 8.736 -7.422 -5.387 291 HB3 ASP 16 HB1 ASP 16 9.638 -8.883 -4.986 292 H ASP 17 HN ASP 17 9.845 -5.470 -3.810 293 HA ASP 17 HA ASP 17 12.629 -5.987 -3.795 294 HB2 ASP 17 HB2 ASP 17 11.040 -3.427 -3.582 295 HB3 ASP 17 HB1 ASP 17 12.802 -3.459 -3.637 296 H SER 18 HN SER 18 10.423 -5.770 -1.258 297 HA SER 18 HA SER 18 11.867 -4.443 0.734 298 HB2 SER 18 HB2 SER 18 10.474 -5.677 2.316 299 HB3 SER 18 HB1 SER 18 9.503 -5.109 0.958 300 HG SER 18 HG SER 18 10.011 -7.268 0.035 301 H SER 19 HN SER 19 12.349 -7.496 -0.710 302 HA SER 19 HA SER 19 13.933 -8.591 1.451 303 HB2 SER 19 HB2 SER 19 13.535 -9.526 -1.393 304 HB3 SER 19 HB1 SER 19 14.430 -10.413 -0.163 305 HG SER 19 HG SER 19 11.682 -9.844 -0.341 306 H SER 20 HN SER 20 14.443 -6.511 -1.151 307 HA SER 20 HA SER 20 17.275 -7.050 -1.472 308 HB2 SER 20 HB2 SER 20 15.622 -4.742 -2.517 309 HB3 SER 20 HB1 SER 20 17.264 -5.152 -3.006 310 HG SER 20 HG SER 20 14.947 -6.774 -3.280 311 H1 LYS 1 HN LYS 1 18.961 -5.650 -0.888 312 HA LYS 1 HA LYS 1 18.590 -4.339 1.642 313 HB2 LYS 1 HB2 LYS 1 20.983 -4.562 -0.194 314 HB3 LYS 1 HB1 LYS 1 21.026 -3.778 1.385 315 HG2 LYS 1 HG2 LYS 1 20.286 -5.866 2.458 316 HG3 LYS 1 HG1 LYS 1 20.221 -6.658 0.882 317 HD2 LYS 1 HD2 LYS 1 22.637 -6.256 0.579 318 HD3 LYS 1 HD1 LYS 1 22.702 -5.470 2.157 319 HE2 LYS 1 HE2 LYS 1 21.973 -7.551 3.242 320 HE3 LYS 1 HE1 LYS 1 21.868 -8.345 1.670 321 HZ1 LYS 1 HZ1 LYS 1 24.045 -8.701 1.661 322 HZ2 LYS 1 HZ2 LYS 1 24.076 -8.208 3.287 323 HZ3 LYS 1 HZ3 LYS 1 24.395 -7.087 2.051 324 H ASN 2 HN ASN 2 17.490 -3.357 -1.108 325 HA ASN 2 HA ASN 2 18.646 -0.879 -1.686 326 HB2 ASN 2 HB2 ASN 2 16.381 -0.338 -2.684 327 HB3 ASN 2 HB1 ASN 2 17.105 -1.836 -3.256 328 HD21 ASN 2 HD21 ASN 2 14.224 -1.213 -3.207 329 HD22 ASN 2 HD22 ASN 2 13.504 -2.357 -2.182 330 HA PRO 3 HA PRO 3 17.464 1.750 1.670 331 HB2 PRO 3 HB2 PRO 3 17.064 4.147 0.344 332 HB3 PRO 3 HB1 PRO 3 18.665 3.474 0.710 333 HG2 PRO 3 HG2 PRO 3 17.103 3.354 -1.838 334 HG3 PRO 3 HG1 PRO 3 18.834 3.658 -1.589 335 HD2 PRO 3 HD2 PRO 3 17.935 1.239 -2.370 336 HD3 PRO 3 HD1 PRO 3 19.328 1.397 -1.284 337 H GLU 4 HN GLU 4 15.372 1.256 -1.024 338 HA GLU 4 HA GLU 4 13.107 2.721 -0.173 339 HB2 GLU 4 HB2 GLU 4 13.356 0.282 -1.940 340 HB3 GLU 4 HB1 GLU 4 11.848 1.160 -1.684 341 HG2 GLU 4 HG2 GLU 4 12.865 3.215 -2.544 342 HG3 GLU 4 HG1 GLU 4 14.408 2.387 -2.748 343 H ALA 5 HN ALA 5 14.592 -0.004 1.127 344 HA ALA 5 HA ALA 5 12.462 -1.571 2.028 345 HB1 ALA 5 HB1 ALA 5 13.998 -2.531 3.557 346 HB2 ALA 5 HB2 ALA 5 14.948 -1.048 3.661 347 HB3 ALA 5 HB3 ALA 5 14.992 -2.023 2.192 348 H GLU 6 HN GLU 6 13.754 1.474 3.240 349 HA GLU 6 HA GLU 6 12.505 1.476 5.769 350 HB2 GLU 6 HB2 GLU 6 13.327 3.714 3.902 351 HB3 GLU 6 HB1 GLU 6 12.694 4.004 5.522 352 HG2 GLU 6 HG2 GLU 6 15.042 3.983 5.816 353 HG3 GLU 6 HG1 GLU 6 14.539 2.377 6.328 354 H GLU 7 HN GLU 7 11.383 2.471 2.564 355 HA GLU 7 HA GLU 7 8.927 3.600 3.417 356 HB2 GLU 7 HB2 GLU 7 9.848 4.036 1.184 357 HB3 GLU 7 HB1 GLU 7 9.644 2.339 0.757 358 HG2 GLU 7 HG2 GLU 7 7.782 3.665 -0.134 359 HG3 GLU 7 HG1 GLU 7 7.190 2.562 1.098 360 H ILE 8 HN ILE 8 9.909 0.343 2.509 361 HA ILE 8 HA ILE 8 7.329 -0.824 2.444 362 HB ILE 8 HB ILE 8 9.928 -2.154 3.258 363 HG12 ILE 8 HG12 ILE 8 10.267 -1.003 1.149 364 HG13 ILE 8 HG11 ILE 8 10.092 -2.719 0.810 365 HG21 ILE 8 HG21 ILE 8 8.864 -4.182 3.008 366 HG22 ILE 8 HG22 ILE 8 7.852 -3.615 1.685 367 HG23 ILE 8 HG23 ILE 8 7.413 -3.253 3.347 368 HD11 ILE 8 HD11 ILE 8 8.152 -0.482 0.290 369 HD12 ILE 8 HD12 ILE 8 7.566 -2.137 0.467 370 HD13 ILE 8 HD13 ILE 8 8.716 -1.738 -0.808 371 H THR 9 HN THR 9 9.673 -0.380 5.075 372 HA THR 9 HA THR 9 8.278 -1.807 7.058 373 HB THR 9 HB THR 9 10.106 0.597 7.318 374 HG1 THR 9 HG1 THR 9 11.345 -0.963 6.556 375 HG21 THR 9 HG21 THR 9 8.986 -1.345 9.346 376 HG22 THR 9 HG22 THR 9 8.889 0.417 9.360 377 HG23 THR 9 HG23 THR 9 10.434 -0.384 9.650 378 H ARG 10 HN ARG 10 8.119 1.593 6.050 379 HA ARG 10 HA ARG 10 6.265 2.425 8.017 380 HB2 ARG 10 HB2 ARG 10 6.918 3.503 5.271 381 HB3 ARG 10 HB1 ARG 10 5.768 4.283 6.357 382 HG2 ARG 10 HG2 ARG 10 7.596 4.328 8.110 383 HG3 ARG 10 HG1 ARG 10 8.712 3.779 6.860 384 HD2 ARG 10 HD2 ARG 10 7.007 6.267 6.623 385 HD3 ARG 10 HD1 ARG 10 8.677 6.276 7.175 386 HE ARG 10 HE ARG 10 7.741 5.834 4.445 387 HH11 ARG 10 HH11 ARG 10 9.428 5.800 2.888 388 HH12 ARG 10 HH12 ARG 10 11.073 5.676 3.408 389 HH21 ARG 10 HH21 ARG 10 10.296 5.604 6.780 390 HH22 ARG 10 HH22 ARG 10 11.564 5.570 5.601 391 H CYS 11 HN CYS 11 5.873 1.028 4.797 392 HA CYS 11 HA CYS 11 3.141 1.394 4.429 393 HB2 CYS 11 HB2 CYS 11 4.820 0.383 2.815 394 HB3 CYS 11 HB1 CYS 11 4.636 -1.125 3.704 395 H LYS 12 HN LYS 12 4.821 -1.280 6.086 396 HA LYS 12 HA LYS 12 2.472 -2.671 6.839 397 HB2 LYS 12 HB2 LYS 12 5.260 -2.618 7.983 398 HB3 LYS 12 HB1 LYS 12 4.001 -3.702 8.575 399 HG2 LYS 12 HG2 LYS 12 3.722 -4.595 6.268 400 HG3 LYS 12 HG1 LYS 12 5.045 -3.565 5.729 401 HD2 LYS 12 HD2 LYS 12 5.367 -5.570 7.969 402 HD3 LYS 12 HD1 LYS 12 5.660 -5.989 6.283 403 HE2 LYS 12 HE2 LYS 12 7.291 -4.044 6.190 404 HE3 LYS 12 HE1 LYS 12 7.114 -3.905 7.939 405 HZ1 LYS 12 HZ1 LYS 12 8.592 -5.501 8.168 406 HZ2 LYS 12 HZ2 LYS 12 8.708 -5.695 6.484 407 HZ3 LYS 12 HZ3 LYS 12 7.560 -6.583 7.367 408 H LYS 13 HN LYS 13 4.426 -0.212 8.468 409 HA LYS 13 HA LYS 13 3.022 -0.235 10.924 410 HB2 LYS 13 HB2 LYS 13 5.269 0.773 10.632 411 HB3 LYS 13 HB1 LYS 13 4.541 2.067 9.678 412 HG2 LYS 13 HG2 LYS 13 3.160 2.741 11.577 413 HG3 LYS 13 HG1 LYS 13 3.777 1.394 12.536 414 HD2 LYS 13 HD2 LYS 13 6.065 2.325 12.350 415 HD3 LYS 13 HD1 LYS 13 5.425 3.689 11.433 416 HE2 LYS 13 HE2 LYS 13 4.589 2.954 14.254 417 HE3 LYS 13 HE1 LYS 13 5.722 4.241 13.840 418 HZ1 LYS 13 HZ1 LYS 13 3.879 5.145 12.398 419 HZ2 LYS 13 HZ2 LYS 13 3.648 5.270 14.076 420 HZ3 LYS 13 HZ3 LYS 13 2.840 4.065 13.192 421 H LEU 14 HN LEU 14 2.572 1.563 7.929 422 HA LEU 14 HA LEU 14 0.621 3.382 8.829 423 HB2 LEU 14 HB2 LEU 14 1.249 2.181 6.130 424 HB3 LEU 14 HB1 LEU 14 -0.025 3.377 6.341 425 HG LEU 14 HG LEU 14 2.760 3.917 7.394 426 HD11 LEU 14 HD11 LEU 14 3.376 3.550 5.170 427 HD12 LEU 14 HD12 LEU 14 2.949 5.253 5.117 428 HD13 LEU 14 HD13 LEU 14 1.805 4.040 4.538 429 HD21 LEU 14 HD21 LEU 14 1.062 5.501 8.093 430 HD22 LEU 14 HD22 LEU 14 0.436 5.629 6.450 431 HD23 LEU 14 HD23 LEU 14 2.028 6.279 6.842 432 H LEU 15 HN LEU 15 0.348 0.120 7.476 433 HA LEU 15 HA LEU 15 -2.483 0.056 7.391 434 HB2 LEU 15 HB2 LEU 15 -0.414 -2.134 7.554 435 HB3 LEU 15 HB1 LEU 15 -2.139 -2.444 7.353 436 HG LEU 15 HG LEU 15 -0.515 -0.667 5.507 437 HD11 LEU 15 HD11 LEU 15 0.217 -3.070 5.501 438 HD12 LEU 15 HD12 LEU 15 -0.423 -2.509 3.957 439 HD13 LEU 15 HD13 LEU 15 -1.418 -3.513 5.012 440 HD21 LEU 15 HD21 LEU 15 -2.724 -0.031 5.112 441 HD22 LEU 15 HD22 LEU 15 -3.375 -1.604 5.573 442 HD23 LEU 15 HD23 LEU 15 -2.604 -1.392 4.004 443 H ASP 16 HN ASP 16 -0.129 -0.801 9.866 444 HA ASP 16 HA ASP 16 -1.897 -2.020 11.691 445 HB2 ASP 16 HB2 ASP 16 0.715 -0.556 12.073 446 HB3 ASP 16 HB1 ASP 16 -0.143 -1.341 13.398 447 H ASP 17 HN ASP 17 -1.028 1.345 11.147 448 HA ASP 17 HA ASP 17 -2.271 2.429 13.447 449 HB2 ASP 17 HB2 ASP 17 -1.593 3.620 10.756 450 HB3 ASP 17 HB1 ASP 17 -2.300 4.561 12.069 451 H SER 18 HN SER 18 -3.594 0.928 10.737 452 HA SER 18 HA SER 18 -5.911 2.418 10.255 453 HB2 SER 18 HB2 SER 18 -6.830 0.358 9.318 454 HB3 SER 18 HB1 SER 18 -5.151 0.559 8.821 455 HG SER 18 HG SER 18 -4.690 -0.778 10.760 456 H SER 19 HN SER 19 -5.029 0.459 12.901 457 HA SER 19 HA SER 19 -7.730 -0.013 13.832 458 HB2 SER 19 HB2 SER 19 -5.055 -0.425 15.174 459 HB3 SER 19 HB1 SER 19 -6.603 -0.897 15.870 460 HG SER 19 HG SER 19 -5.231 -1.921 13.644 461 H SER 20 HN SER 20 -5.465 2.478 14.031 462 HA SER 20 HA SER 20 -6.441 3.630 16.507 463 HB2 SER 20 HB2 SER 20 -4.624 4.833 14.407 464 HB3 SER 20 HB1 SER 20 -4.924 5.479 16.018 465 HG SER 20 HG SER 20 -3.746 2.982 15.345 466 H2 ZBR 100 HA3 TBS 100 -1.596 0.811 -1.886 467 H4 ZBR 100 HC3 TBS 100 0.380 1.419 1.903 468 H6 ZBR 100 HB3 TBS 100 2.608 -0.076 -1.481 469 H7 ZBR 100 HB11 TBS 100 1.313 0.473 -3.806 470 H7A ZBR 100 HB12 TBS 100 -0.403 0.055 -3.751 471 H8 ZBR 100 HA11 TBS 100 -2.447 2.448 0.064 472 H8A ZBR 100 HA12 TBS 100 -1.881 2.001 1.678 473 H9 ZBR 100 HC11 TBS 100 3.072 1.582 1.573 474 H9A ZBR 100 HC12 TBS 100 3.722 0.302 0.543 Start of MODEL 13 1 H1 LYS 1 HN LYS 1 -7.109 4.212 16.280 2 HA LYS 1 HA LYS 1 -9.302 4.546 14.345 3 HB2 LYS 1 HB2 LYS 1 -9.021 5.273 17.266 4 HB3 LYS 1 HB1 LYS 1 -10.407 5.739 16.278 5 HG2 LYS 1 HG2 LYS 1 -10.842 3.366 15.758 6 HG3 LYS 1 HG1 LYS 1 -9.460 2.896 16.748 7 HD2 LYS 1 HD2 LYS 1 -10.515 3.855 18.735 8 HD3 LYS 1 HD1 LYS 1 -11.873 4.424 17.764 9 HE2 LYS 1 HE2 LYS 1 -12.471 2.330 18.890 10 HE3 LYS 1 HE1 LYS 1 -12.392 2.076 17.146 11 HZ1 LYS 1 HZ1 LYS 1 -11.008 0.420 17.629 12 HZ2 LYS 1 HZ2 LYS 1 -10.786 0.942 19.231 13 HZ3 LYS 1 HZ3 LYS 1 -9.851 1.610 17.980 14 H ASN 2 HN ASN 2 -6.448 5.834 14.577 15 HA ASN 2 HA ASN 2 -6.849 8.578 14.934 16 HB2 ASN 2 HB2 ASN 2 -4.725 8.791 13.526 17 HB3 ASN 2 HB1 ASN 2 -4.611 7.850 15.008 18 HD21 ASN 2 HD21 ASN 2 -5.785 7.071 11.669 19 HD22 ASN 2 HD22 ASN 2 -4.830 5.680 11.525 20 HA PRO 3 HA PRO 3 -8.914 10.063 11.302 21 HB2 PRO 3 HB2 PRO 3 -6.681 12.038 10.960 22 HB3 PRO 3 HB1 PRO 3 -8.428 12.323 11.077 23 HG2 PRO 3 HG2 PRO 3 -6.821 12.871 13.115 24 HG3 PRO 3 HG1 PRO 3 -8.433 12.178 13.381 25 HD2 PRO 3 HD2 PRO 3 -5.755 10.842 13.540 26 HD3 PRO 3 HD1 PRO 3 -7.215 10.589 14.519 27 H GLU 4 HN GLU 4 -5.521 9.265 11.142 28 HA GLU 4 HA GLU 4 -5.115 9.418 8.354 29 HB2 GLU 4 HB2 GLU 4 -3.806 7.690 10.463 30 HB3 GLU 4 HB1 GLU 4 -3.255 7.781 8.791 31 HG2 GLU 4 HG2 GLU 4 -2.892 10.192 9.013 32 HG3 GLU 4 HG1 GLU 4 -3.512 10.151 10.663 33 H ALA 5 HN ALA 5 -7.054 7.347 10.199 34 HA ALA 5 HA ALA 5 -6.884 4.907 8.836 35 HB1 ALA 5 HB1 ALA 5 -9.191 6.271 10.234 36 HB2 ALA 5 HB2 ALA 5 -8.155 4.988 10.858 37 HB3 ALA 5 HB3 ALA 5 -9.309 4.642 9.569 38 H GLU 6 HN GLU 6 -8.415 7.933 7.954 39 HA GLU 6 HA GLU 6 -10.150 6.983 5.939 40 HB2 GLU 6 HB2 GLU 6 -8.710 9.622 6.287 41 HB3 GLU 6 HB1 GLU 6 -9.902 9.332 5.020 42 HG2 GLU 6 HG2 GLU 6 -11.606 8.816 6.688 43 HG3 GLU 6 HG1 GLU 6 -10.423 8.973 7.985 44 H GLU 7 HN GLU 7 -6.739 7.934 5.882 45 HA GLU 7 HA GLU 7 -6.383 7.682 3.078 46 HB2 GLU 7 HB2 GLU 7 -4.800 8.908 4.543 47 HB3 GLU 7 HB1 GLU 7 -4.319 7.378 5.278 48 HG2 GLU 7 HG2 GLU 7 -2.706 7.971 3.547 49 HG3 GLU 7 HG1 GLU 7 -3.617 6.563 3.012 50 H ILE 8 HN ILE 8 -6.092 5.451 5.785 51 HA ILE 8 HA ILE 8 -4.897 3.282 4.398 52 HB ILE 8 HB ILE 8 -6.832 3.131 6.726 53 HG12 ILE 8 HG12 ILE 8 -5.061 4.706 7.261 54 HG13 ILE 8 HG11 ILE 8 -4.753 3.203 8.117 55 HG21 ILE 8 HG21 ILE 8 -4.645 1.306 5.696 56 HG22 ILE 8 HG22 ILE 8 -6.374 0.957 5.754 57 HG23 ILE 8 HG23 ILE 8 -5.451 1.100 7.249 58 HD11 ILE 8 HD11 ILE 8 -3.270 2.613 6.047 59 HD12 ILE 8 HD12 ILE 8 -2.652 3.752 7.242 60 HD13 ILE 8 HD13 ILE 8 -3.327 4.348 5.729 61 H THR 9 HN THR 9 -8.289 4.179 4.915 62 HA THR 9 HA THR 9 -9.450 1.900 3.740 63 HB THR 9 HB THR 9 -10.460 4.753 3.856 64 HG1 THR 9 HG1 THR 9 -10.858 4.266 5.838 65 HG21 THR 9 HG21 THR 9 -12.708 3.546 3.652 66 HG22 THR 9 HG22 THR 9 -11.788 2.145 3.105 67 HG23 THR 9 HG23 THR 9 -11.740 3.648 2.183 68 H ARG 10 HN ARG 10 -8.401 4.995 2.340 69 HA ARG 10 HA ARG 10 -9.334 4.526 -0.284 70 HB2 ARG 10 HB2 ARG 10 -8.505 6.726 0.672 71 HB3 ARG 10 HB1 ARG 10 -6.867 6.111 0.449 72 HG2 ARG 10 HG2 ARG 10 -7.399 5.725 -1.972 73 HG3 ARG 10 HG1 ARG 10 -8.960 6.504 -1.710 74 HD2 ARG 10 HD2 ARG 10 -7.524 8.220 -2.532 75 HD3 ARG 10 HD1 ARG 10 -7.661 8.499 -0.800 76 HE ARG 10 HE ARG 10 -5.414 7.865 -0.552 77 HH11 ARG 10 HH11 ARG 10 -3.354 7.472 -1.428 78 HH12 ARG 10 HH12 ARG 10 -3.196 7.095 -3.112 79 HH21 ARG 10 HH21 ARG 10 -6.597 7.300 -3.750 80 HH22 ARG 10 HH22 ARG 10 -5.032 6.997 -4.424 81 H CYS 11 HN CYS 11 -6.275 3.764 1.332 82 HA CYS 11 HA CYS 11 -4.861 2.796 -0.897 83 HB2 CYS 11 HB2 CYS 11 -3.888 3.284 1.358 84 HB3 CYS 11 HB1 CYS 11 -4.643 1.804 1.948 85 H LYS 12 HN LYS 12 -7.062 1.201 1.357 86 HA LYS 12 HA LYS 12 -6.732 -1.438 0.436 87 HB2 LYS 12 HB2 LYS 12 -7.904 -0.828 2.540 88 HB3 LYS 12 HB1 LYS 12 -9.232 -0.168 1.585 89 HG2 LYS 12 HG2 LYS 12 -9.616 -2.375 0.565 90 HG3 LYS 12 HG1 LYS 12 -8.267 -3.043 1.484 91 HD2 LYS 12 HD2 LYS 12 -9.427 -2.493 3.590 92 HD3 LYS 12 HD1 LYS 12 -10.777 -1.823 2.672 93 HE2 LYS 12 HE2 LYS 12 -11.303 -4.117 3.347 94 HE3 LYS 12 HE1 LYS 12 -11.111 -4.041 1.595 95 HZ1 LYS 12 HZ1 LYS 12 -9.877 -5.830 3.095 96 HZ2 LYS 12 HZ2 LYS 12 -8.713 -4.594 3.152 97 HZ3 LYS 12 HZ3 LYS 12 -9.210 -5.230 1.656 98 H LYS 13 HN LYS 13 -8.900 1.164 -0.594 99 HA LYS 13 HA LYS 13 -10.403 -0.334 -2.451 100 HB2 LYS 13 HB2 LYS 13 -9.709 2.614 -2.394 101 HB3 LYS 13 HB1 LYS 13 -10.926 1.899 -3.448 102 HG2 LYS 13 HG2 LYS 13 -10.998 1.654 -0.429 103 HG3 LYS 13 HG1 LYS 13 -11.831 2.933 -1.308 104 HD2 LYS 13 HD2 LYS 13 -13.060 1.158 -2.600 105 HD3 LYS 13 HD1 LYS 13 -12.315 -0.054 -1.563 106 HE2 LYS 13 HE2 LYS 13 -13.305 0.980 0.414 107 HE3 LYS 13 HE1 LYS 13 -14.054 2.216 -0.599 108 HZ1 LYS 13 HZ1 LYS 13 -15.738 0.710 -0.496 109 HZ2 LYS 13 HZ2 LYS 13 -14.701 -0.628 -0.348 110 HZ3 LYS 13 HZ3 LYS 13 -14.928 0.110 -1.860 111 H LEU 14 HN LEU 14 -7.383 1.450 -2.760 112 HA LEU 14 HA LEU 14 -7.124 1.200 -5.563 113 HB2 LEU 14 HB2 LEU 14 -5.071 1.491 -3.365 114 HB3 LEU 14 HB1 LEU 14 -4.674 1.563 -5.081 115 HG LEU 14 HG LEU 14 -6.722 3.355 -3.744 116 HD11 LEU 14 HD11 LEU 14 -4.788 4.164 -2.760 117 HD12 LEU 14 HD12 LEU 14 -4.763 5.083 -4.258 118 HD13 LEU 14 HD13 LEU 14 -3.754 3.649 -4.092 119 HD21 LEU 14 HD21 LEU 14 -5.565 3.157 -6.519 120 HD22 LEU 14 HD22 LEU 14 -6.074 4.732 -5.906 121 HD23 LEU 14 HD23 LEU 14 -7.240 3.419 -6.025 122 H LEU 15 HN LEU 15 -6.088 -0.853 -2.880 123 HA LEU 15 HA LEU 15 -4.658 -2.742 -4.433 124 HB2 LEU 15 HB2 LEU 15 -6.019 -2.949 -1.745 125 HB3 LEU 15 HB1 LEU 15 -5.026 -4.235 -2.432 126 HG LEU 15 HG LEU 15 -4.048 -1.389 -2.054 127 HD11 LEU 15 HD11 LEU 15 -2.950 -2.104 -0.032 128 HD12 LEU 15 HD12 LEU 15 -3.473 -3.772 -0.277 129 HD13 LEU 15 HD13 LEU 15 -4.658 -2.521 0.108 130 HD21 LEU 15 HD21 LEU 15 -1.797 -2.827 -2.078 131 HD22 LEU 15 HD22 LEU 15 -2.559 -2.332 -3.584 132 HD23 LEU 15 HD23 LEU 15 -2.796 -3.970 -2.974 133 H ASP 16 HN ASP 16 -8.024 -2.515 -3.430 134 HA ASP 16 HA ASP 16 -8.874 -5.048 -4.331 135 HB2 ASP 16 HB2 ASP 16 -10.345 -2.446 -3.917 136 HB3 ASP 16 HB1 ASP 16 -11.157 -3.928 -4.420 137 H ASP 17 HN ASP 17 -8.425 -1.994 -5.962 138 HA ASP 17 HA ASP 17 -9.846 -2.541 -8.331 139 HB2 ASP 17 HB2 ASP 17 -7.484 -0.735 -7.789 140 HB3 ASP 17 HB1 ASP 17 -8.306 -0.810 -9.344 141 H SER 18 HN SER 18 -7.155 -4.064 -7.073 142 HA SER 18 HA SER 18 -5.498 -4.513 -9.258 143 HB2 SER 18 HB2 SER 18 -4.951 -5.216 -6.944 144 HB3 SER 18 HB1 SER 18 -6.199 -6.449 -7.045 145 HG SER 18 HG SER 18 -4.074 -7.222 -7.548 146 H SER 19 HN SER 19 -8.522 -5.977 -8.395 147 HA SER 19 HA SER 19 -8.363 -8.013 -10.452 148 HB2 SER 19 HB2 SER 19 -10.680 -7.151 -8.716 149 HB3 SER 19 HB1 SER 19 -10.678 -8.551 -9.784 150 HG SER 19 HG SER 19 -9.352 -9.576 -8.461 151 H SER 20 HN SER 20 -9.113 -4.771 -10.382 152 HA SER 20 HA SER 20 -11.123 -4.764 -12.468 153 HB2 SER 20 HB2 SER 20 -10.974 -2.984 -10.706 154 HB3 SER 20 HB1 SER 20 -9.477 -2.441 -11.456 155 HG SER 20 HG SER 20 -12.087 -2.139 -12.265 156 H1 LYS 1 HN LYS 1 -10.839 -3.962 -14.589 157 HA LYS 1 HA LYS 1 -8.145 -4.454 -15.672 158 HB2 LYS 1 HB2 LYS 1 -10.870 -4.298 -16.971 159 HB3 LYS 1 HB1 LYS 1 -9.365 -4.457 -17.877 160 HG2 LYS 1 HG2 LYS 1 -8.840 -6.534 -16.652 161 HG3 LYS 1 HG1 LYS 1 -10.346 -6.379 -15.746 162 HD2 LYS 1 HD2 LYS 1 -11.647 -6.558 -17.805 163 HD3 LYS 1 HD1 LYS 1 -10.168 -6.612 -18.763 164 HE2 LYS 1 HE2 LYS 1 -11.043 -8.882 -18.434 165 HE3 LYS 1 HE1 LYS 1 -9.504 -8.696 -17.594 166 HZ1 LYS 1 HZ1 LYS 1 -10.575 -9.391 -15.794 167 HZ2 LYS 1 HZ2 LYS 1 -12.098 -9.236 -16.530 168 HZ3 LYS 1 HZ3 LYS 1 -11.377 -7.896 -15.776 169 H ASN 2 HN ASN 2 -9.528 -1.935 -14.388 170 HA ASN 2 HA ASN 2 -9.539 0.046 -16.362 171 HB2 ASN 2 HB2 ASN 2 -9.164 1.627 -14.382 172 HB3 ASN 2 HB1 ASN 2 -10.604 0.618 -14.343 173 HD21 ASN 2 HD21 ASN 2 -7.136 0.020 -13.475 174 HD22 ASN 2 HD22 ASN 2 -7.498 -0.602 -11.941 175 HA PRO 3 HA PRO 3 -5.300 0.932 -17.320 176 HB2 PRO 3 HB2 PRO 3 -5.856 3.802 -16.651 177 HB3 PRO 3 HB1 PRO 3 -5.189 3.103 -18.139 178 HG2 PRO 3 HG2 PRO 3 -7.690 3.982 -18.047 179 HG3 PRO 3 HG1 PRO 3 -7.269 2.516 -18.952 180 HD2 PRO 3 HD2 PRO 3 -8.647 2.767 -16.303 181 HD3 PRO 3 HD1 PRO 3 -8.898 1.594 -17.613 182 H GLU 4 HN GLU 4 -6.663 2.095 -14.324 183 HA GLU 4 HA GLU 4 -4.319 2.995 -13.039 184 HB2 GLU 4 HB2 GLU 4 -6.881 1.838 -11.923 185 HB3 GLU 4 HB1 GLU 4 -5.607 2.539 -10.926 186 HG2 GLU 4 HG2 GLU 4 -5.826 4.675 -12.098 187 HG3 GLU 4 HG1 GLU 4 -7.043 3.985 -13.170 188 H ALA 5 HN ALA 5 -5.264 -0.109 -14.000 189 HA ALA 5 HA ALA 5 -4.248 -1.755 -11.976 190 HB1 ALA 5 HB1 ALA 5 -4.444 -2.131 -14.969 191 HB2 ALA 5 HB2 ALA 5 -5.514 -2.775 -13.725 192 HB3 ALA 5 HB3 ALA 5 -3.874 -3.402 -13.888 193 H GLU 6 HN GLU 6 -2.623 0.103 -14.463 194 HA GLU 6 HA GLU 6 -0.114 -1.190 -14.415 195 HB2 GLU 6 HB2 GLU 6 -0.901 1.673 -14.995 196 HB3 GLU 6 HB1 GLU 6 0.740 1.061 -15.208 197 HG2 GLU 6 HG2 GLU 6 -0.055 -0.614 -16.799 198 HG3 GLU 6 HG1 GLU 6 -1.724 -0.108 -16.535 199 H GLU 7 HN GLU 7 -1.471 1.425 -12.450 200 HA GLU 7 HA GLU 7 0.888 1.976 -10.975 201 HB2 GLU 7 HB2 GLU 7 -1.042 3.530 -11.074 202 HB3 GLU 7 HB1 GLU 7 -1.998 2.380 -10.142 203 HG2 GLU 7 HG2 GLU 7 -1.098 4.077 -8.638 204 HG3 GLU 7 HG1 GLU 7 -0.313 2.539 -8.295 205 H ILE 8 HN ILE 8 -1.798 -0.254 -10.525 206 HA ILE 8 HA ILE 8 -1.176 -1.112 -7.893 207 HB ILE 8 HB ILE 8 -2.450 -2.742 -10.107 208 HG12 ILE 8 HG12 ILE 8 -3.618 -0.621 -9.914 209 HG13 ILE 8 HG11 ILE 8 -4.593 -1.866 -9.152 210 HG21 ILE 8 HG21 ILE 8 -2.558 -2.868 -7.083 211 HG22 ILE 8 HG22 ILE 8 -1.878 -4.081 -8.169 212 HG23 ILE 8 HG23 ILE 8 -3.613 -3.785 -8.149 213 HD11 ILE 8 HD11 ILE 8 -3.387 -1.126 -6.956 214 HD12 ILE 8 HD12 ILE 8 -4.674 -0.111 -7.606 215 HD13 ILE 8 HD13 ILE 8 -2.990 0.330 -7.869 216 H THR 9 HN THR 9 -0.139 -2.290 -11.073 217 HA THR 9 HA THR 9 1.292 -4.541 -10.176 218 HB THR 9 HB THR 9 1.788 -2.760 -12.577 219 HG1 THR 9 HG1 THR 9 0.150 -3.774 -13.363 220 HG21 THR 9 HG21 THR 9 2.848 -4.924 -13.452 221 HG22 THR 9 HG22 THR 9 2.874 -5.461 -11.772 222 HG23 THR 9 HG23 THR 9 3.775 -4.022 -12.251 223 H ARG 10 HN ARG 10 2.267 -1.154 -10.627 224 HA ARG 10 HA ARG 10 5.008 -1.495 -10.040 225 HB2 ARG 10 HB2 ARG 10 3.906 0.562 -11.039 226 HB3 ARG 10 HB1 ARG 10 3.365 0.964 -9.408 227 HG2 ARG 10 HG2 ARG 10 5.752 0.868 -8.649 228 HG3 ARG 10 HG1 ARG 10 6.236 0.624 -10.327 229 HD2 ARG 10 HD2 ARG 10 6.448 2.966 -9.944 230 HD3 ARG 10 HD1 ARG 10 4.961 2.769 -10.862 231 HE ARG 10 HE ARG 10 3.738 3.394 -8.960 232 HH11 ARG 10 HH11 ARG 10 3.623 4.346 -6.897 233 HH12 ARG 10 HH12 ARG 10 5.051 4.453 -5.922 234 HH21 ARG 10 HH21 ARG 10 7.094 2.937 -8.278 235 HH22 ARG 10 HH22 ARG 10 7.015 3.655 -6.705 236 H CYS 11 HN CYS 11 2.197 -0.826 -7.987 237 HA CYS 11 HA CYS 11 3.547 -0.430 -5.553 238 HB2 CYS 11 HB2 CYS 11 1.124 0.037 -5.989 239 HB3 CYS 11 HB1 CYS 11 0.830 -1.700 -5.918 240 H LYS 12 HN LYS 12 2.371 -3.368 -7.122 241 HA LYS 12 HA LYS 12 2.911 -5.170 -5.029 242 HB2 LYS 12 HB2 LYS 12 1.552 -5.729 -7.028 243 HB3 LYS 12 HB1 LYS 12 3.016 -5.694 -8.011 244 HG2 LYS 12 HG2 LYS 12 3.988 -7.503 -6.655 245 HG3 LYS 12 HG1 LYS 12 2.546 -7.526 -5.639 246 HD2 LYS 12 HD2 LYS 12 1.172 -8.118 -7.602 247 HD3 LYS 12 HD1 LYS 12 2.615 -8.099 -8.616 248 HE2 LYS 12 HE2 LYS 12 2.117 -10.400 -7.963 249 HE3 LYS 12 HE1 LYS 12 3.608 -9.877 -7.178 250 HZ1 LYS 12 HZ1 LYS 12 1.630 -11.009 -5.856 251 HZ2 LYS 12 HZ2 LYS 12 1.117 -9.394 -5.744 252 HZ3 LYS 12 HZ3 LYS 12 2.644 -9.846 -5.150 253 H LYS 13 HN LYS 13 4.914 -3.987 -7.695 254 HA LYS 13 HA LYS 13 7.149 -5.639 -7.227 255 HB2 LYS 13 HB2 LYS 13 6.962 -2.860 -8.419 256 HB3 LYS 13 HB1 LYS 13 8.396 -3.880 -8.496 257 HG2 LYS 13 HG2 LYS 13 5.695 -4.736 -9.567 258 HG3 LYS 13 HG1 LYS 13 6.919 -3.952 -10.563 259 HD2 LYS 13 HD2 LYS 13 8.512 -5.801 -9.946 260 HD3 LYS 13 HD1 LYS 13 7.185 -6.610 -9.121 261 HE2 LYS 13 HE2 LYS 13 5.899 -6.691 -11.193 262 HE3 LYS 13 HE1 LYS 13 7.207 -5.867 -12.045 263 HZ1 LYS 13 HZ1 LYS 13 7.769 -8.017 -12.455 264 HZ2 LYS 13 HZ2 LYS 13 7.088 -8.602 -11.012 265 HZ3 LYS 13 HZ3 LYS 13 8.592 -7.811 -10.986 266 H LEU 14 HN LEU 14 6.227 -2.501 -5.921 267 HA LEU 14 HA LEU 14 8.627 -2.000 -4.516 268 HB2 LEU 14 HB2 LEU 14 5.779 -1.115 -4.031 269 HB3 LEU 14 HB1 LEU 14 7.154 -0.500 -3.116 270 HG LEU 14 HG LEU 14 6.949 -0.378 -6.139 271 HD11 LEU 14 HD11 LEU 14 5.259 1.103 -5.548 272 HD12 LEU 14 HD12 LEU 14 6.646 2.180 -5.503 273 HD13 LEU 14 HD13 LEU 14 6.003 1.516 -4.004 274 HD21 LEU 14 HD21 LEU 14 8.916 0.649 -4.099 275 HD22 LEU 14 HD22 LEU 14 8.683 1.540 -5.604 276 HD23 LEU 14 HD23 LEU 14 9.228 -0.132 -5.651 277 H LEU 15 HN LEU 15 5.649 -3.677 -3.623 278 HA LEU 15 HA LEU 15 6.331 -4.153 -0.917 279 HB2 LEU 15 HB2 LEU 15 4.478 -5.595 -2.817 280 HB3 LEU 15 HB1 LEU 15 4.603 -5.984 -1.102 281 HG LEU 15 HG LEU 15 3.989 -3.204 -2.150 282 HD11 LEU 15 HD11 LEU 15 1.656 -3.633 -1.682 283 HD12 LEU 15 HD12 LEU 15 2.030 -5.239 -1.056 284 HD13 LEU 15 HD13 LEU 15 2.240 -4.889 -2.773 285 HD21 LEU 15 HD21 LEU 15 2.981 -3.169 0.318 286 HD22 LEU 15 HD22 LEU 15 4.696 -2.876 0.055 287 HD23 LEU 15 HD23 LEU 15 4.145 -4.466 0.584 288 H ASP 16 HN ASP 16 6.888 -5.959 -3.883 289 HA ASP 16 HA ASP 16 7.918 -8.313 -2.723 290 HB2 ASP 16 HB2 ASP 16 8.350 -7.033 -5.421 291 HB3 ASP 16 HB1 ASP 16 9.050 -8.590 -4.978 292 H ASP 17 HN ASP 17 9.376 -5.233 -3.496 293 HA ASP 17 HA ASP 17 12.090 -5.963 -3.295 294 HB2 ASP 17 HB2 ASP 17 10.684 -3.329 -2.819 295 HB3 ASP 17 HB1 ASP 17 12.434 -3.512 -2.766 296 H SER 18 HN SER 18 9.696 -6.019 -0.963 297 HA SER 18 HA SER 18 10.918 -5.057 1.339 298 HB2 SER 18 HB2 SER 18 8.559 -5.819 1.228 299 HB3 SER 18 HB1 SER 18 9.125 -7.479 1.093 300 HG SER 18 HG SER 18 8.616 -6.900 3.252 301 H SER 19 HN SER 19 11.372 -8.044 -0.368 302 HA SER 19 HA SER 19 13.032 -9.222 1.695 303 HB2 SER 19 HB2 SER 19 12.526 -10.083 -1.158 304 HB3 SER 19 HB1 SER 19 13.420 -11.018 0.036 305 HG SER 19 HG SER 19 11.605 -11.466 1.061 306 H SER 20 HN SER 20 13.473 -6.985 -0.742 307 HA SER 20 HA SER 20 16.233 -7.600 -1.365 308 HB2 SER 20 HB2 SER 20 14.705 -6.450 -2.983 309 HB3 SER 20 HB1 SER 20 14.707 -5.049 -1.919 310 HG SER 20 HG SER 20 16.604 -5.928 -3.670 311 H1 LYS 1 HN LYS 1 18.042 -6.339 -0.775 312 HA LYS 1 HA LYS 1 17.783 -5.070 1.867 313 HB2 LYS 1 HB2 LYS 1 20.162 -6.116 0.324 314 HB3 LYS 1 HB1 LYS 1 20.300 -5.238 1.850 315 HG2 LYS 1 HG2 LYS 1 18.868 -6.916 2.952 316 HG3 LYS 1 HG1 LYS 1 18.725 -7.796 1.430 317 HD2 LYS 1 HD2 LYS 1 21.136 -8.192 1.391 318 HD3 LYS 1 HD1 LYS 1 21.338 -7.237 2.859 319 HE2 LYS 1 HE2 LYS 1 21.312 -9.631 3.405 320 HE3 LYS 1 HE1 LYS 1 19.894 -8.835 4.085 321 HZ1 LYS 1 HZ1 LYS 1 18.714 -10.367 3.019 322 HZ2 LYS 1 HZ2 LYS 1 20.049 -10.890 2.107 323 HZ3 LYS 1 HZ3 LYS 1 19.117 -9.571 1.576 324 H ASN 2 HN ASN 2 17.363 -4.012 -1.059 325 HA ASN 2 HA ASN 2 19.241 -1.976 -1.438 326 HB2 ASN 2 HB2 ASN 2 17.387 -0.901 -2.833 327 HB3 ASN 2 HB1 ASN 2 17.915 -2.510 -3.311 328 HD21 ASN 2 HD21 ASN 2 15.615 -1.321 -0.774 329 HD22 ASN 2 HD22 ASN 2 14.350 -2.332 -1.272 330 HA PRO 3 HA PRO 3 18.305 1.209 1.503 331 HB2 PRO 3 HB2 PRO 3 18.105 3.132 -0.791 332 HB3 PRO 3 HB1 PRO 3 19.118 3.216 0.664 333 HG2 PRO 3 HG2 PRO 3 20.163 2.586 -1.696 334 HG3 PRO 3 HG1 PRO 3 20.719 1.798 -0.206 335 HD2 PRO 3 HD2 PRO 3 18.944 0.715 -2.366 336 HD3 PRO 3 HD1 PRO 3 20.169 -0.105 -1.376 337 H GLU 4 HN GLU 4 16.267 0.797 -1.299 338 HA GLU 4 HA GLU 4 14.143 2.522 -0.614 339 HB2 GLU 4 HB2 GLU 4 14.186 -0.032 -2.231 340 HB3 GLU 4 HB1 GLU 4 12.775 1.014 -2.093 341 HG2 GLU 4 HG2 GLU 4 14.052 2.892 -3.022 342 HG3 GLU 4 HG1 GLU 4 15.493 1.881 -3.116 343 H ALA 5 HN ALA 5 15.251 -0.318 0.853 344 HA ALA 5 HA ALA 5 12.905 -1.549 1.755 345 HB1 ALA 5 HB1 ALA 5 15.659 -1.322 2.980 346 HB2 ALA 5 HB2 ALA 5 14.977 -2.687 2.095 347 HB3 ALA 5 HB3 ALA 5 14.374 -2.288 3.704 348 H GLU 6 HN GLU 6 14.530 1.367 2.824 349 HA GLU 6 HA GLU 6 13.334 1.637 5.366 350 HB2 GLU 6 HB2 GLU 6 14.333 3.689 3.377 351 HB3 GLU 6 HB1 GLU 6 13.793 4.101 5.005 352 HG2 GLU 6 HG2 GLU 6 15.490 2.641 5.978 353 HG3 GLU 6 HG1 GLU 6 15.989 2.108 4.373 354 H GLU 7 HN GLU 7 12.282 2.630 2.132 355 HA GLU 7 HA GLU 7 9.957 4.028 2.965 356 HB2 GLU 7 HB2 GLU 7 10.963 4.283 0.710 357 HB3 GLU 7 HB1 GLU 7 10.477 2.633 0.323 358 HG2 GLU 7 HG2 GLU 7 8.815 4.173 -0.573 359 HG3 GLU 7 HG1 GLU 7 8.093 3.285 0.763 360 H ILE 8 HN ILE 8 10.618 0.673 2.128 361 HA ILE 8 HA ILE 8 7.942 -0.267 2.069 362 HB ILE 8 HB ILE 8 10.408 -1.802 2.932 363 HG12 ILE 8 HG12 ILE 8 10.853 -0.736 0.798 364 HG13 ILE 8 HG11 ILE 8 10.528 -2.439 0.512 365 HG21 ILE 8 HG21 ILE 8 7.744 -2.626 1.748 366 HG22 ILE 8 HG22 ILE 8 8.338 -3.001 3.367 367 HG23 ILE 8 HG23 ILE 8 9.119 -3.706 1.954 368 HD11 ILE 8 HD11 ILE 8 8.068 -1.652 0.120 369 HD12 ILE 8 HD12 ILE 8 9.264 -1.375 -1.145 370 HD13 ILE 8 HD13 ILE 8 8.793 -0.056 -0.080 371 H THR 9 HN THR 9 10.292 0.013 4.709 372 HA THR 9 HA THR 9 8.755 -1.249 6.698 373 HB THR 9 HB THR 9 10.785 0.985 6.942 374 HG1 THR 9 HG1 THR 9 12.153 -0.553 6.649 375 HG21 THR 9 HG21 THR 9 11.001 -0.022 9.295 376 HG22 THR 9 HG22 THR 9 9.445 -0.792 8.983 377 HG23 THR 9 HG23 THR 9 9.575 0.967 8.984 378 H ARG 10 HN ARG 10 8.901 2.138 5.633 379 HA ARG 10 HA ARG 10 7.162 3.195 7.591 380 HB2 ARG 10 HB2 ARG 10 8.643 4.501 5.995 381 HB3 ARG 10 HB1 ARG 10 7.431 4.196 4.751 382 HG2 ARG 10 HG2 ARG 10 5.708 5.230 6.251 383 HG3 ARG 10 HG1 ARG 10 6.999 5.648 7.378 384 HD2 ARG 10 HD2 ARG 10 6.669 7.594 6.042 385 HD3 ARG 10 HD1 ARG 10 8.133 6.835 5.426 386 HE ARG 10 HE ARG 10 6.985 6.286 3.456 387 HH11 ARG 10 HH11 ARG 10 5.223 6.553 2.043 388 HH12 ARG 10 HH12 ARG 10 3.729 7.187 2.647 389 HH21 ARG 10 HH21 ARG 10 4.889 7.548 5.894 390 HH22 ARG 10 HH22 ARG 10 3.540 7.750 4.828 391 H CYS 11 HN CYS 11 6.575 1.808 4.383 392 HA CYS 11 HA CYS 11 3.822 2.333 4.200 393 HB2 CYS 11 HB2 CYS 11 5.305 1.502 2.351 394 HB3 CYS 11 HB1 CYS 11 5.256 -0.089 3.106 395 H LYS 12 HN LYS 12 5.598 -0.358 5.641 396 HA LYS 12 HA LYS 12 3.392 -1.994 6.264 397 HB2 LYS 12 HB2 LYS 12 5.757 -2.747 6.361 398 HB3 LYS 12 HB1 LYS 12 6.001 -1.731 7.783 399 HG2 LYS 12 HG2 LYS 12 4.269 -2.986 8.998 400 HG3 LYS 12 HG1 LYS 12 3.981 -3.986 7.573 401 HD2 LYS 12 HD2 LYS 12 6.311 -4.791 7.664 402 HD3 LYS 12 HD1 LYS 12 6.600 -3.792 9.089 403 HE2 LYS 12 HE2 LYS 12 6.111 -6.085 9.785 404 HE3 LYS 12 HE1 LYS 12 4.794 -5.023 10.282 405 HZ1 LYS 12 HZ1 LYS 12 4.390 -7.279 8.978 406 HZ2 LYS 12 HZ2 LYS 12 4.579 -6.242 7.645 407 HZ3 LYS 12 HZ3 LYS 12 3.374 -5.932 8.801 408 H LYS 13 HN LYS 13 4.969 0.623 8.046 409 HA LYS 13 HA LYS 13 3.497 0.368 10.438 410 HB2 LYS 13 HB2 LYS 13 4.787 2.794 9.162 411 HB3 LYS 13 HB1 LYS 13 4.182 2.742 10.817 412 HG2 LYS 13 HG2 LYS 13 6.278 0.828 9.757 413 HG3 LYS 13 HG1 LYS 13 6.679 2.334 10.577 414 HD2 LYS 13 HD2 LYS 13 5.344 1.540 12.556 415 HD3 LYS 13 HD1 LYS 13 5.132 -0.004 11.739 416 HE2 LYS 13 HE2 LYS 13 7.545 -0.330 11.645 417 HE3 LYS 13 HE1 LYS 13 7.797 1.227 12.438 418 HZ1 LYS 13 HZ1 LYS 13 7.813 -0.136 14.241 419 HZ2 LYS 13 HZ2 LYS 13 6.772 -1.282 13.539 420 HZ3 LYS 13 HZ3 LYS 13 6.146 0.169 14.163 421 H LEU 14 HN LEU 14 2.878 2.157 7.471 422 HA LEU 14 HA LEU 14 0.596 3.553 8.384 423 HB2 LEU 14 HB2 LEU 14 1.444 2.649 5.628 424 HB3 LEU 14 HB1 LEU 14 0.051 3.691 5.921 425 HG LEU 14 HG LEU 14 2.866 4.325 6.857 426 HD11 LEU 14 HD11 LEU 14 3.146 4.518 4.563 427 HD12 LEU 14 HD12 LEU 14 2.537 6.126 4.931 428 HD13 LEU 14 HD13 LEU 14 1.453 4.908 4.271 429 HD21 LEU 14 HD21 LEU 14 0.223 5.762 6.956 430 HD22 LEU 14 HD22 LEU 14 1.703 6.709 6.804 431 HD23 LEU 14 HD23 LEU 14 1.479 5.648 8.190 432 H LEU 15 HN LEU 15 1.003 0.394 6.852 433 HA LEU 15 HA LEU 15 -1.752 -0.205 6.583 434 HB2 LEU 15 HB2 LEU 15 0.690 -1.970 6.796 435 HB3 LEU 15 HB1 LEU 15 -0.927 -2.585 6.449 436 HG LEU 15 HG LEU 15 0.424 -0.415 4.818 437 HD11 LEU 15 HD11 LEU 15 1.008 -2.101 3.194 438 HD12 LEU 15 HD12 LEU 15 0.190 -3.353 4.130 439 HD13 LEU 15 HD13 LEU 15 1.658 -2.600 4.756 440 HD21 LEU 15 HD21 LEU 15 -1.348 -1.450 3.116 441 HD22 LEU 15 HD22 LEU 15 -1.844 -0.236 4.290 442 HD23 LEU 15 HD23 LEU 15 -2.163 -1.943 4.601 443 H ASP 16 HN ASP 16 0.584 -0.762 9.156 444 HA ASP 16 HA ASP 16 -1.030 -2.379 10.808 445 HB2 ASP 16 HB2 ASP 16 1.285 -0.541 11.418 446 HB3 ASP 16 HB1 ASP 16 0.501 -1.530 12.648 447 H ASP 17 HN ASP 17 -0.799 1.082 10.395 448 HA ASP 17 HA ASP 17 -2.194 1.898 12.702 449 HB2 ASP 17 HB2 ASP 17 -1.869 3.199 9.995 450 HB3 ASP 17 HB1 ASP 17 -2.692 3.975 11.342 451 H SER 18 HN SER 18 -3.254 0.074 10.114 452 HA SER 18 HA SER 18 -5.806 1.025 9.563 453 HB2 SER 18 HB2 SER 18 -4.737 -0.830 8.329 454 HB3 SER 18 HB1 SER 18 -4.908 -1.855 9.748 455 HG SER 18 HG SER 18 -6.621 -2.138 8.250 456 H SER 19 HN SER 19 -4.626 -0.820 12.257 457 HA SER 19 HA SER 19 -7.263 -1.329 13.343 458 HB2 SER 19 HB2 SER 19 -4.525 -1.694 14.571 459 HB3 SER 19 HB1 SER 19 -6.038 -2.238 15.289 460 HG SER 19 HG SER 19 -6.154 -3.812 13.871 461 H SER 20 HN SER 20 -5.155 1.259 13.314 462 HA SER 20 HA SER 20 -5.828 2.361 15.907 463 HB2 SER 20 HB2 SER 20 -3.656 2.831 14.742 464 HB3 SER 20 HB1 SER 20 -4.556 3.763 13.551 465 HG SER 20 HG SER 20 -3.804 4.422 16.078 466 H2 ZBR 100 HA3 TBS 100 -1.265 1.792 -2.092 467 H4 ZBR 100 HC3 TBS 100 0.896 2.358 1.600 468 H6 ZBR 100 HB3 TBS 100 2.947 0.877 -1.899 469 H7 ZBR 100 HB11 TBS 100 1.479 1.518 -4.166 470 H7A ZBR 100 HB12 TBS 100 -0.187 0.956 -3.992 471 H8 ZBR 100 HA11 TBS 100 -1.960 3.475 -0.052 472 H8A ZBR 100 HA12 TBS 100 -1.381 2.889 1.510 473 H9 ZBR 100 HC11 TBS 100 3.619 2.536 1.049 474 H9A ZBR 100 HC12 TBS 100 4.136 1.142 0.097 Start of MODEL 14 1 H1 LYS 1 HN LYS 1 -7.309 4.962 16.830 2 HA LYS 1 HA LYS 1 -9.371 5.331 14.852 3 HB2 LYS 1 HB2 LYS 1 -8.887 6.603 17.552 4 HB3 LYS 1 HB1 LYS 1 -10.289 6.932 16.534 5 HG2 LYS 1 HG2 LYS 1 -10.948 4.588 16.602 6 HG3 LYS 1 HG1 LYS 1 -9.487 4.171 17.494 7 HD2 LYS 1 HD2 LYS 1 -11.203 4.325 19.143 8 HD3 LYS 1 HD1 LYS 1 -10.282 5.821 19.282 9 HE2 LYS 1 HE2 LYS 1 -11.947 7.059 18.061 10 HE3 LYS 1 HE1 LYS 1 -12.796 5.583 17.609 11 HZ1 LYS 1 HZ1 LYS 1 -13.820 5.504 19.564 12 HZ2 LYS 1 HZ2 LYS 1 -13.365 7.132 19.735 13 HZ3 LYS 1 HZ3 LYS 1 -12.424 5.905 20.439 14 H ASN 2 HN ASN 2 -6.402 6.372 14.738 15 HA ASN 2 HA ASN 2 -6.491 9.154 14.623 16 HB2 ASN 2 HB2 ASN 2 -4.407 8.985 13.321 17 HB3 ASN 2 HB1 ASN 2 -4.393 7.839 14.641 18 HD21 ASN 2 HD21 ASN 2 -2.767 7.439 12.340 19 HD22 ASN 2 HD22 ASN 2 -3.360 6.092 11.494 20 HA PRO 3 HA PRO 3 -8.776 10.039 10.945 21 HB2 PRO 3 HB2 PRO 3 -7.404 12.268 10.013 22 HB3 PRO 3 HB1 PRO 3 -8.553 12.299 11.364 23 HG2 PRO 3 HG2 PRO 3 -5.567 12.156 11.424 24 HG3 PRO 3 HG1 PRO 3 -6.669 13.105 12.439 25 HD2 PRO 3 HD2 PRO 3 -5.553 10.848 13.328 26 HD3 PRO 3 HD1 PRO 3 -7.198 11.293 13.799 27 H GLU 4 HN GLU 4 -5.342 9.550 10.753 28 HA GLU 4 HA GLU 4 -5.041 9.526 7.946 29 HB2 GLU 4 HB2 GLU 4 -3.469 8.202 10.160 30 HB3 GLU 4 HB1 GLU 4 -2.993 8.124 8.465 31 HG2 GLU 4 HG2 GLU 4 -1.793 9.986 9.241 32 HG3 GLU 4 HG1 GLU 4 -3.209 10.738 8.525 33 H ALA 5 HN ALA 5 -6.677 7.438 10.012 34 HA ALA 5 HA ALA 5 -6.272 4.925 8.851 35 HB1 ALA 5 HB1 ALA 5 -8.487 4.349 9.770 36 HB2 ALA 5 HB2 ALA 5 -8.797 6.058 10.076 37 HB3 ALA 5 HB3 ALA 5 -7.506 5.227 10.945 38 H GLU 6 HN GLU 6 -8.014 7.708 7.727 39 HA GLU 6 HA GLU 6 -9.786 6.499 5.902 40 HB2 GLU 6 HB2 GLU 6 -8.388 9.186 5.821 41 HB3 GLU 6 HB1 GLU 6 -9.680 8.714 4.717 42 HG2 GLU 6 HG2 GLU 6 -9.942 8.723 7.735 43 HG3 GLU 6 HG1 GLU 6 -10.490 10.035 6.692 44 H GLU 7 HN GLU 7 -6.369 7.340 5.663 45 HA GLU 7 HA GLU 7 -6.071 6.956 2.887 46 HB2 GLU 7 HB2 GLU 7 -4.353 8.061 4.266 47 HB3 GLU 7 HB1 GLU 7 -4.044 6.538 5.101 48 HG2 GLU 7 HG2 GLU 7 -2.383 6.907 3.322 49 HG3 GLU 7 HG1 GLU 7 -3.366 5.498 2.954 50 H ILE 8 HN ILE 8 -5.893 4.728 5.621 51 HA ILE 8 HA ILE 8 -4.950 2.456 4.215 52 HB ILE 8 HB ILE 8 -6.537 2.840 6.757 53 HG12 ILE 8 HG12 ILE 8 -4.493 2.017 7.785 54 HG13 ILE 8 HG11 ILE 8 -3.814 1.624 6.207 55 HG21 ILE 8 HG21 ILE 8 -5.904 0.270 5.303 56 HG22 ILE 8 HG22 ILE 8 -7.433 0.780 6.018 57 HG23 ILE 8 HG23 ILE 8 -6.094 0.303 7.055 58 HD11 ILE 8 HD11 ILE 8 -3.588 3.906 5.613 59 HD12 ILE 8 HD12 ILE 8 -3.055 3.833 7.293 60 HD13 ILE 8 HD13 ILE 8 -4.665 4.436 6.906 61 H THR 9 HN THR 9 -8.224 3.692 4.841 62 HA THR 9 HA THR 9 -9.656 1.535 3.714 63 HB THR 9 HB THR 9 -10.367 4.477 3.838 64 HG1 THR 9 HG1 THR 9 -10.113 2.604 5.688 65 HG21 THR 9 HG21 THR 9 -12.717 3.567 3.683 66 HG22 THR 9 HG22 THR 9 -12.014 2.010 3.248 67 HG23 THR 9 HG23 THR 9 -11.774 3.411 2.202 68 H ARG 10 HN ARG 10 -8.339 4.508 2.283 69 HA ARG 10 HA ARG 10 -9.348 4.114 -0.339 70 HB2 ARG 10 HB2 ARG 10 -8.453 6.275 0.468 71 HB3 ARG 10 HB1 ARG 10 -6.835 5.570 0.512 72 HG2 ARG 10 HG2 ARG 10 -6.891 5.162 -1.882 73 HG3 ARG 10 HG1 ARG 10 -8.566 5.709 -1.974 74 HD2 ARG 10 HD2 ARG 10 -7.142 7.530 -2.692 75 HD3 ARG 10 HD1 ARG 10 -7.813 7.943 -1.117 76 HE ARG 10 HE ARG 10 -5.320 6.656 -0.737 77 HH11 ARG 10 HH11 ARG 10 -3.510 7.935 -0.266 78 HH12 ARG 10 HH12 ARG 10 -3.523 9.623 -0.636 79 HH21 ARG 10 HH21 ARG 10 -6.723 9.576 -1.969 80 HH22 ARG 10 HH22 ARG 10 -5.341 10.553 -1.602 81 H CYS 11 HN CYS 11 -6.344 3.128 1.266 82 HA CYS 11 HA CYS 11 -4.954 2.104 -0.928 83 HB2 CYS 11 HB2 CYS 11 -4.152 2.353 1.483 84 HB3 CYS 11 HB1 CYS 11 -4.970 0.829 1.810 85 H LYS 12 HN LYS 12 -7.376 0.567 1.160 86 HA LYS 12 HA LYS 12 -7.276 -2.006 -0.007 87 HB2 LYS 12 HB2 LYS 12 -9.501 -0.548 1.433 88 HB3 LYS 12 HB1 LYS 12 -9.582 -2.248 0.970 89 HG2 LYS 12 HG2 LYS 12 -7.545 -2.706 2.288 90 HG3 LYS 12 HG1 LYS 12 -7.472 -1.008 2.761 91 HD2 LYS 12 HD2 LYS 12 -9.695 -1.216 3.829 92 HD3 LYS 12 HD1 LYS 12 -9.744 -2.920 3.375 93 HE2 LYS 12 HE2 LYS 12 -7.708 -3.339 4.708 94 HE3 LYS 12 HE1 LYS 12 -7.660 -1.635 5.163 95 HZ1 LYS 12 HZ1 LYS 12 -10.020 -2.032 5.999 96 HZ2 LYS 12 HZ2 LYS 12 -8.741 -2.661 6.924 97 HZ3 LYS 12 HZ3 LYS 12 -9.648 -3.684 5.914 98 H LYS 13 HN LYS 13 -9.173 0.889 -0.760 99 HA LYS 13 HA LYS 13 -10.870 -0.252 -2.705 100 HB2 LYS 13 HB2 LYS 13 -11.233 1.981 -1.696 101 HB3 LYS 13 HB1 LYS 13 -9.827 2.586 -2.572 102 HG2 LYS 13 HG2 LYS 13 -10.899 2.032 -4.715 103 HG3 LYS 13 HG1 LYS 13 -12.295 1.379 -3.858 104 HD2 LYS 13 HD2 LYS 13 -12.715 3.594 -2.859 105 HD3 LYS 13 HD1 LYS 13 -11.324 4.249 -3.724 106 HE2 LYS 13 HE2 LYS 13 -12.387 3.665 -5.875 107 HE3 LYS 13 HE1 LYS 13 -13.780 3.017 -5.008 108 HZ1 LYS 13 HZ1 LYS 13 -13.569 5.548 -5.858 109 HZ2 LYS 13 HZ2 LYS 13 -13.024 5.702 -4.256 110 HZ3 LYS 13 HZ3 LYS 13 -14.563 5.054 -4.575 111 H LEU 14 HN LEU 14 -7.657 1.229 -2.943 112 HA LEU 14 HA LEU 14 -7.445 1.159 -5.755 113 HB2 LEU 14 HB2 LEU 14 -5.387 1.136 -3.547 114 HB3 LEU 14 HB1 LEU 14 -4.940 1.185 -5.247 115 HG LEU 14 HG LEU 14 -6.883 3.176 -4.043 116 HD11 LEU 14 HD11 LEU 14 -4.912 3.548 -2.766 117 HD12 LEU 14 HD12 LEU 14 -4.818 4.721 -4.077 118 HD13 LEU 14 HD13 LEU 14 -3.859 3.241 -4.146 119 HD21 LEU 14 HD21 LEU 14 -5.836 4.519 -6.031 120 HD22 LEU 14 HD22 LEU 14 -6.999 3.266 -6.413 121 HD23 LEU 14 HD23 LEU 14 -5.275 2.954 -6.606 122 H LEU 15 HN LEU 15 -6.572 -1.191 -3.277 123 HA LEU 15 HA LEU 15 -5.342 -3.061 -5.008 124 HB2 LEU 15 HB2 LEU 15 -6.731 -3.424 -2.342 125 HB3 LEU 15 HB1 LEU 15 -5.811 -4.687 -3.155 126 HG LEU 15 HG LEU 15 -4.677 -1.970 -2.434 127 HD11 LEU 15 HD11 LEU 15 -5.132 -3.066 -0.359 128 HD12 LEU 15 HD12 LEU 15 -3.419 -3.333 -0.688 129 HD13 LEU 15 HD13 LEU 15 -4.584 -4.622 -0.988 130 HD21 LEU 15 HD21 LEU 15 -3.274 -2.771 -4.113 131 HD22 LEU 15 HD22 LEU 15 -3.574 -4.464 -3.719 132 HD23 LEU 15 HD23 LEU 15 -2.512 -3.493 -2.704 133 H ASP 16 HN ASP 16 -8.673 -2.623 -3.959 134 HA ASP 16 HA ASP 16 -9.738 -4.984 -5.079 135 HB2 ASP 16 HB2 ASP 16 -10.976 -2.300 -4.462 136 HB3 ASP 16 HB1 ASP 16 -11.908 -3.666 -5.070 137 H ASP 17 HN ASP 17 -9.106 -1.797 -6.426 138 HA ASP 17 HA ASP 17 -10.486 -2.139 -8.871 139 HB2 ASP 17 HB2 ASP 17 -8.175 -0.368 -8.078 140 HB3 ASP 17 HB1 ASP 17 -8.918 -0.314 -9.676 141 H SER 18 HN SER 18 -7.734 -3.665 -7.669 142 HA SER 18 HA SER 18 -6.107 -3.927 -9.917 143 HB2 SER 18 HB2 SER 18 -5.179 -5.890 -8.814 144 HB3 SER 18 HB1 SER 18 -5.492 -4.647 -7.608 145 HG SER 18 HG SER 18 -6.505 -6.287 -6.713 146 H SER 19 HN SER 19 -9.127 -5.340 -9.162 147 HA SER 19 HA SER 19 -8.925 -7.443 -11.154 148 HB2 SER 19 HB2 SER 19 -10.233 -7.738 -9.037 149 HB3 SER 19 HB1 SER 19 -11.373 -6.540 -9.643 150 HG SER 19 HG SER 19 -12.117 -7.952 -11.039 151 H SER 20 HN SER 20 -9.840 -4.197 -11.042 152 HA SER 20 HA SER 20 -11.657 -4.259 -13.291 153 HB2 SER 20 HB2 SER 20 -11.753 -1.874 -13.078 154 HB3 SER 20 HB1 SER 20 -11.753 -2.540 -11.448 155 HG SER 20 HG SER 20 -10.043 -1.372 -11.146 156 H1 LYS 1 HN LYS 1 -11.247 -3.645 -15.390 157 HA LYS 1 HA LYS 1 -8.554 -4.007 -16.324 158 HB2 LYS 1 HB2 LYS 1 -11.111 -3.255 -17.751 159 HB3 LYS 1 HB1 LYS 1 -9.569 -3.543 -18.555 160 HG2 LYS 1 HG2 LYS 1 -9.500 -5.825 -17.711 161 HG3 LYS 1 HG1 LYS 1 -10.956 -5.553 -16.759 162 HD2 LYS 1 HD2 LYS 1 -11.697 -6.689 -18.721 163 HD3 LYS 1 HD1 LYS 1 -12.122 -4.997 -18.969 164 HE2 LYS 1 HE2 LYS 1 -10.239 -4.645 -20.420 165 HE3 LYS 1 HE1 LYS 1 -9.546 -6.211 -20.002 166 HZ1 LYS 1 HZ1 LYS 1 -10.867 -7.247 -21.438 167 HZ2 LYS 1 HZ2 LYS 1 -11.124 -5.714 -22.124 168 HZ3 LYS 1 HZ3 LYS 1 -12.236 -6.345 -21.004 169 H ASN 2 HN ASN 2 -9.670 -1.543 -14.718 170 HA ASN 2 HA ASN 2 -9.375 0.713 -16.325 171 HB2 ASN 2 HB2 ASN 2 -9.114 1.958 -14.217 172 HB3 ASN 2 HB1 ASN 2 -10.369 0.750 -14.057 173 HD21 ASN 2 HD21 ASN 2 -9.004 1.782 -11.775 174 HD22 ASN 2 HD22 ASN 2 -8.063 0.535 -11.111 175 HA PRO 3 HA PRO 3 -5.029 0.977 -17.077 176 HB2 PRO 3 HB2 PRO 3 -4.661 3.726 -17.020 177 HB3 PRO 3 HB1 PRO 3 -5.391 2.850 -18.379 178 HG2 PRO 3 HG2 PRO 3 -6.724 4.328 -16.147 179 HG3 PRO 3 HG1 PRO 3 -7.119 4.307 -17.876 180 HD2 PRO 3 HD2 PRO 3 -8.519 2.877 -16.110 181 HD3 PRO 3 HD1 PRO 3 -8.218 2.263 -17.739 182 H GLU 4 HN GLU 4 -6.378 2.426 -14.229 183 HA GLU 4 HA GLU 4 -3.979 3.169 -12.928 184 HB2 GLU 4 HB2 GLU 4 -6.725 2.480 -11.883 185 HB3 GLU 4 HB1 GLU 4 -5.412 3.013 -10.839 186 HG2 GLU 4 HG2 GLU 4 -6.519 5.022 -11.334 187 HG3 GLU 4 HG1 GLU 4 -5.214 5.025 -12.509 188 H ALA 5 HN ALA 5 -5.235 0.155 -13.714 189 HA ALA 5 HA ALA 5 -4.504 -1.442 -11.534 190 HB1 ALA 5 HB1 ALA 5 -4.399 -3.290 -13.164 191 HB2 ALA 5 HB2 ALA 5 -4.453 -2.122 -14.484 192 HB3 ALA 5 HB3 ALA 5 -5.836 -2.296 -13.403 193 H GLU 6 HN GLU 6 -2.589 0.141 -13.958 194 HA GLU 6 HA GLU 6 -0.243 -1.415 -13.848 195 HB2 GLU 6 HB2 GLU 6 -0.640 1.546 -14.353 196 HB3 GLU 6 HB1 GLU 6 0.895 0.707 -14.583 197 HG2 GLU 6 HG2 GLU 6 -1.694 -0.076 -15.949 198 HG3 GLU 6 HG1 GLU 6 -0.446 0.924 -16.693 199 H GLU 7 HN GLU 7 -1.466 1.149 -11.763 200 HA GLU 7 HA GLU 7 0.882 1.572 -10.261 201 HB2 GLU 7 HB2 GLU 7 -1.046 3.110 -10.180 202 HB3 GLU 7 HB1 GLU 7 -2.010 1.856 -9.401 203 HG2 GLU 7 HG2 GLU 7 -1.111 3.421 -7.729 204 HG3 GLU 7 HG1 GLU 7 -0.428 1.819 -7.493 205 H ILE 8 HN ILE 8 -1.775 -0.729 -9.922 206 HA ILE 8 HA ILE 8 -1.048 -1.792 -7.399 207 HB ILE 8 HB ILE 8 -2.622 -2.857 -9.747 208 HG12 ILE 8 HG12 ILE 8 -4.480 -2.647 -8.194 209 HG13 ILE 8 HG11 ILE 8 -3.377 -2.273 -6.870 210 HG21 ILE 8 HG21 ILE 8 -1.744 -4.315 -7.255 211 HG22 ILE 8 HG22 ILE 8 -1.681 -4.868 -8.927 212 HG23 ILE 8 HG23 ILE 8 -3.228 -4.757 -8.096 213 HD11 ILE 8 HD11 ILE 8 -2.802 -0.167 -7.807 214 HD12 ILE 8 HD12 ILE 8 -4.552 -0.283 -7.989 215 HD13 ILE 8 HD13 ILE 8 -3.501 -0.584 -9.372 216 H THR 9 HN THR 9 -0.123 -2.672 -10.716 217 HA THR 9 HA THR 9 1.389 -4.969 -10.086 218 HB THR 9 HB THR 9 1.752 -2.972 -12.335 219 HG1 THR 9 HG1 THR 9 -0.132 -4.749 -11.788 220 HG21 THR 9 HG21 THR 9 2.857 -4.937 -13.460 221 HG22 THR 9 HG22 THR 9 2.837 -5.763 -11.904 222 HG23 THR 9 HG23 THR 9 3.768 -4.280 -12.102 223 H ARG 10 HN ARG 10 2.271 -1.532 -10.286 224 HA ARG 10 HA ARG 10 5.046 -1.852 -9.789 225 HB2 ARG 10 HB2 ARG 10 4.050 0.230 -10.678 226 HB3 ARG 10 HB1 ARG 10 3.270 0.505 -9.120 227 HG2 ARG 10 HG2 ARG 10 5.421 0.644 -8.006 228 HG3 ARG 10 HG1 ARG 10 6.264 0.210 -9.493 229 HD2 ARG 10 HD2 ARG 10 6.396 2.612 -9.237 230 HD3 ARG 10 HD1 ARG 10 5.289 2.261 -10.561 231 HE ARG 10 HE ARG 10 3.804 2.476 -8.158 232 HH11 ARG 10 HH11 ARG 10 2.671 4.397 -7.764 233 HH12 ARG 10 HH12 ARG 10 3.097 5.842 -8.611 234 HH21 ARG 10 HH21 ARG 10 5.668 4.355 -10.396 235 HH22 ARG 10 HH22 ARG 10 4.794 5.821 -10.099 236 H CYS 11 HN CYS 11 2.254 -1.371 -7.653 237 HA CYS 11 HA CYS 11 3.576 -1.024 -5.220 238 HB2 CYS 11 HB2 CYS 11 1.077 -0.873 -5.704 239 HB3 CYS 11 HB1 CYS 11 1.039 -2.627 -5.550 240 H LYS 12 HN LYS 12 2.668 -4.008 -6.916 241 HA LYS 12 HA LYS 12 3.523 -5.822 -4.914 242 HB2 LYS 12 HB2 LYS 12 3.256 -6.127 -7.910 243 HB3 LYS 12 HB1 LYS 12 3.621 -7.463 -6.818 244 HG2 LYS 12 HG2 LYS 12 1.538 -7.024 -5.576 245 HG3 LYS 12 HG1 LYS 12 1.166 -5.688 -6.666 246 HD2 LYS 12 HD2 LYS 12 1.152 -7.269 -8.577 247 HD3 LYS 12 HD1 LYS 12 1.477 -8.597 -7.461 248 HE2 LYS 12 HE2 LYS 12 -0.623 -8.115 -6.260 249 HE3 LYS 12 HE1 LYS 12 -0.949 -6.782 -7.368 250 HZ1 LYS 12 HZ1 LYS 12 -0.718 -8.536 -9.182 251 HZ2 LYS 12 HZ2 LYS 12 -2.136 -8.552 -8.247 252 HZ3 LYS 12 HZ3 LYS 12 -0.900 -9.677 -7.941 253 H LYS 13 HN LYS 13 5.176 -4.305 -7.649 254 HA LYS 13 HA LYS 13 7.599 -5.745 -7.493 255 HB2 LYS 13 HB2 LYS 13 6.970 -4.314 -9.414 256 HB3 LYS 13 HB1 LYS 13 7.180 -2.887 -8.399 257 HG2 LYS 13 HG2 LYS 13 9.541 -3.460 -8.044 258 HG3 LYS 13 HG1 LYS 13 9.345 -4.926 -9.004 259 HD2 LYS 13 HD2 LYS 13 8.738 -3.547 -10.965 260 HD3 LYS 13 HD1 LYS 13 8.957 -2.088 -9.998 261 HE2 LYS 13 HE2 LYS 13 11.322 -2.689 -9.620 262 HE3 LYS 13 HE1 LYS 13 11.103 -4.149 -10.584 263 HZ1 LYS 13 HZ1 LYS 13 11.910 -1.786 -11.565 264 HZ2 LYS 13 HZ2 LYS 13 10.241 -1.715 -11.876 265 HZ3 LYS 13 HZ3 LYS 13 11.168 -3.002 -12.486 266 H LEU 14 HN LEU 14 6.505 -2.769 -5.909 267 HA LEU 14 HA LEU 14 8.940 -2.132 -4.635 268 HB2 LEU 14 HB2 LEU 14 6.061 -1.513 -3.964 269 HB3 LEU 14 HB1 LEU 14 7.406 -0.877 -3.027 270 HG LEU 14 HG LEU 14 7.240 -0.540 -6.035 271 HD11 LEU 14 HD11 LEU 14 5.277 0.572 -5.309 272 HD12 LEU 14 HD12 LEU 14 6.487 1.851 -5.376 273 HD13 LEU 14 HD13 LEU 14 6.039 1.140 -3.824 274 HD21 LEU 14 HD21 LEU 14 8.660 1.535 -5.291 275 HD22 LEU 14 HD22 LEU 14 9.437 -0.037 -5.302 276 HD23 LEU 14 HD23 LEU 14 8.877 0.657 -3.781 277 H LEU 15 HN LEU 15 6.204 -4.109 -3.615 278 HA LEU 15 HA LEU 15 7.124 -4.628 -0.990 279 HB2 LEU 15 HB2 LEU 15 5.307 -6.220 -2.814 280 HB3 LEU 15 HB1 LEU 15 5.569 -6.587 -1.112 281 HG LEU 15 HG LEU 15 4.596 -3.900 -2.121 282 HD11 LEU 15 HD11 LEU 15 2.866 -5.471 -2.640 283 HD12 LEU 15 HD12 LEU 15 2.390 -4.688 -1.132 284 HD13 LEU 15 HD13 LEU 15 3.081 -6.310 -1.102 285 HD21 LEU 15 HD21 LEU 15 5.431 -3.459 0.005 286 HD22 LEU 15 HD22 LEU 15 5.127 -5.091 0.596 287 HD23 LEU 15 HD23 LEU 15 3.797 -3.949 0.425 288 H ASP 16 HN ASP 16 7.644 -6.265 -4.064 289 HA ASP 16 HA ASP 16 8.982 -8.542 -3.066 290 HB2 ASP 16 HB2 ASP 16 9.105 -7.129 -5.733 291 HB3 ASP 16 HB1 ASP 16 9.976 -8.625 -5.398 292 H ASP 17 HN ASP 17 10.084 -5.308 -3.895 293 HA ASP 17 HA ASP 17 12.866 -5.818 -3.771 294 HB2 ASP 17 HB2 ASP 17 11.243 -3.298 -3.431 295 HB3 ASP 17 HB1 ASP 17 13.004 -3.310 -3.368 296 H SER 18 HN SER 18 10.519 -5.850 -1.361 297 HA SER 18 HA SER 18 11.827 -4.717 0.824 298 HB2 SER 18 HB2 SER 18 10.334 -6.053 2.204 299 HB3 SER 18 HB1 SER 18 9.445 -5.473 0.801 300 HG SER 18 HG SER 18 9.003 -7.555 0.711 301 H SER 19 HN SER 19 12.355 -7.675 -0.823 302 HA SER 19 HA SER 19 13.958 -8.859 1.280 303 HB2 SER 19 HB2 SER 19 12.614 -10.242 -0.320 304 HB3 SER 19 HB1 SER 19 13.720 -9.738 -1.594 305 HG SER 19 HG SER 19 15.226 -10.995 -0.789 306 H SER 20 HN SER 20 14.431 -6.715 -1.288 307 HA SER 20 HA SER 20 17.244 -7.258 -1.688 308 HB2 SER 20 HB2 SER 20 17.225 -5.389 -3.198 309 HB3 SER 20 HB1 SER 20 15.743 -6.304 -3.467 310 HG SER 20 HG SER 20 14.743 -4.523 -3.016 311 H1 LYS 1 HN LYS 1 18.976 -6.096 -0.919 312 HA LYS 1 HA LYS 1 18.609 -4.758 1.595 313 HB2 LYS 1 HB2 LYS 1 21.050 -5.210 -0.128 314 HB3 LYS 1 HB1 LYS 1 21.084 -4.437 1.456 315 HG2 LYS 1 HG2 LYS 1 20.175 -6.434 2.506 316 HG3 LYS 1 HG1 LYS 1 19.968 -7.206 0.938 317 HD2 LYS 1 HD2 LYS 1 21.994 -8.112 1.811 318 HD3 LYS 1 HD1 LYS 1 22.493 -6.909 0.622 319 HE2 LYS 1 HE2 LYS 1 22.996 -5.298 2.330 320 HE3 LYS 1 HE1 LYS 1 22.231 -6.284 3.574 321 HZ1 LYS 1 HZ1 LYS 1 24.035 -7.542 3.775 322 HZ2 LYS 1 HZ2 LYS 1 24.852 -6.286 2.975 323 HZ3 LYS 1 HZ3 LYS 1 24.298 -7.636 2.103 324 H ASN 2 HN ASN 2 17.770 -3.663 -1.223 325 HA ASN 2 HA ASN 2 19.205 -1.316 -1.675 326 HB2 ASN 2 HB2 ASN 2 17.268 -0.601 -3.012 327 HB3 ASN 2 HB1 ASN 2 17.599 -2.297 -3.289 328 HD21 ASN 2 HD21 ASN 2 15.019 -1.231 -3.790 329 HD22 ASN 2 HD22 ASN 2 13.941 -1.864 -2.642 330 HA PRO 3 HA PRO 3 18.000 1.361 1.628 331 HB2 PRO 3 HB2 PRO 3 17.930 3.803 0.314 332 HB3 PRO 3 HB1 PRO 3 19.424 2.982 0.806 333 HG2 PRO 3 HG2 PRO 3 18.081 3.022 -1.865 334 HG3 PRO 3 HG1 PRO 3 19.805 3.157 -1.471 335 HD2 PRO 3 HD2 PRO 3 18.751 0.868 -2.362 336 HD3 PRO 3 HD1 PRO 3 20.053 0.867 -1.165 337 H GLU 4 HN GLU 4 16.107 1.254 -1.276 338 HA GLU 4 HA GLU 4 13.931 2.859 -0.460 339 HB2 GLU 4 HB2 GLU 4 14.153 0.603 -2.453 340 HB3 GLU 4 HB1 GLU 4 12.667 1.516 -2.206 341 HG2 GLU 4 HG2 GLU 4 13.690 2.673 -3.975 342 HG3 GLU 4 HG1 GLU 4 14.177 3.626 -2.582 343 H ALA 5 HN ALA 5 15.023 -0.121 0.647 344 HA ALA 5 HA ALA 5 12.665 -1.496 1.251 345 HB1 ALA 5 HB1 ALA 5 13.987 -2.609 3.014 346 HB2 ALA 5 HB2 ALA 5 15.258 -1.403 2.812 347 HB3 ALA 5 HB3 ALA 5 14.878 -2.513 1.496 348 H GLU 6 HN GLU 6 14.078 1.338 2.666 349 HA GLU 6 HA GLU 6 12.880 1.288 5.215 350 HB2 GLU 6 HB2 GLU 6 13.646 3.616 3.435 351 HB3 GLU 6 HB1 GLU 6 13.157 3.780 5.121 352 HG2 GLU 6 HG2 GLU 6 15.456 2.043 4.190 353 HG3 GLU 6 HG1 GLU 6 15.650 3.687 4.796 354 H GLU 7 HN GLU 7 11.666 2.285 2.059 355 HA GLU 7 HA GLU 7 9.306 3.562 2.939 356 HB2 GLU 7 HB2 GLU 7 10.152 3.791 0.639 357 HB3 GLU 7 HB1 GLU 7 9.832 2.081 0.348 358 HG2 GLU 7 HG2 GLU 7 7.999 3.456 -0.539 359 HG3 GLU 7 HG1 GLU 7 7.416 2.467 0.791 360 H ILE 8 HN ILE 8 10.062 0.192 2.187 361 HA ILE 8 HA ILE 8 7.431 -0.841 2.342 362 HB ILE 8 HB ILE 8 10.180 -2.039 2.713 363 HG12 ILE 8 HG12 ILE 8 9.617 -3.181 0.644 364 HG13 ILE 8 HG11 ILE 8 7.960 -2.589 0.722 365 HG21 ILE 8 HG21 ILE 8 7.489 -3.316 3.213 366 HG22 ILE 8 HG22 ILE 8 8.931 -3.370 4.224 367 HG23 ILE 8 HG23 ILE 8 8.881 -4.278 2.716 368 HD11 ILE 8 HD11 ILE 8 8.633 -0.348 0.303 369 HD12 ILE 8 HD12 ILE 8 9.564 -1.325 -0.833 370 HD13 ILE 8 HD13 ILE 8 10.327 -0.715 0.635 371 H THR 9 HN THR 9 9.954 -0.355 4.798 372 HA THR 9 HA THR 9 8.613 -1.578 6.958 373 HB THR 9 HB THR 9 10.566 0.737 6.960 374 HG1 THR 9 HG1 THR 9 10.810 -1.849 6.401 375 HG21 THR 9 HG21 THR 9 10.997 -0.081 9.311 376 HG22 THR 9 HG22 THR 9 9.552 -1.079 9.156 377 HG23 THR 9 HG23 THR 9 9.423 0.678 9.077 378 H ARG 10 HN ARG 10 8.577 1.753 5.726 379 HA ARG 10 HA ARG 10 6.897 2.856 7.726 380 HB2 ARG 10 HB2 ARG 10 8.229 4.231 6.164 381 HB3 ARG 10 HB1 ARG 10 7.196 3.702 4.835 382 HG2 ARG 10 HG2 ARG 10 5.252 4.715 5.870 383 HG3 ARG 10 HG1 ARG 10 6.181 5.126 7.312 384 HD2 ARG 10 HD2 ARG 10 6.016 7.111 5.939 385 HD3 ARG 10 HD1 ARG 10 7.675 6.527 5.863 386 HE ARG 10 HE ARG 10 6.204 5.396 3.720 387 HH11 ARG 10 HH11 ARG 10 6.462 6.289 1.654 388 HH12 ARG 10 HH12 ARG 10 7.104 7.883 1.473 389 HH21 ARG 10 HH21 ARG 10 7.469 8.407 4.880 390 HH22 ARG 10 HH22 ARG 10 7.672 9.085 3.299 391 H CYS 11 HN CYS 11 6.231 1.303 4.609 392 HA CYS 11 HA CYS 11 3.488 1.766 4.422 393 HB2 CYS 11 HB2 CYS 11 5.034 0.652 2.724 394 HB3 CYS 11 HB1 CYS 11 4.808 -0.832 3.643 395 H LYS 12 HN LYS 12 5.247 -0.806 6.125 396 HA LYS 12 HA LYS 12 2.979 -2.255 7.005 397 HB2 LYS 12 HB2 LYS 12 5.767 -2.012 8.158 398 HB3 LYS 12 HB1 LYS 12 4.553 -3.149 8.749 399 HG2 LYS 12 HG2 LYS 12 4.388 -4.151 6.500 400 HG3 LYS 12 HG1 LYS 12 5.603 -3.017 5.907 401 HD2 LYS 12 HD2 LYS 12 7.233 -3.923 7.539 402 HD3 LYS 12 HD1 LYS 12 6.017 -5.077 8.091 403 HE2 LYS 12 HE2 LYS 12 5.896 -6.054 5.836 404 HE3 LYS 12 HE1 LYS 12 7.093 -4.892 5.264 405 HZ1 LYS 12 HZ1 LYS 12 8.530 -5.817 7.146 406 HZ2 LYS 12 HZ2 LYS 12 8.336 -6.768 5.752 407 HZ3 LYS 12 HZ3 LYS 12 7.452 -7.125 7.159 408 H LYS 13 HN LYS 13 4.787 0.450 8.398 409 HA LYS 13 HA LYS 13 3.505 0.524 10.912 410 HB2 LYS 13 HB2 LYS 13 5.583 1.765 10.388 411 HB3 LYS 13 HB1 LYS 13 4.657 2.835 9.335 412 HG2 LYS 13 HG2 LYS 13 3.269 3.539 11.240 413 HG3 LYS 13 HG1 LYS 13 4.151 2.439 12.300 414 HD2 LYS 13 HD2 LYS 13 6.240 3.670 11.831 415 HD3 LYS 13 HD1 LYS 13 5.349 4.776 10.783 416 HE2 LYS 13 HE2 LYS 13 3.942 5.457 12.693 417 HE3 LYS 13 HE1 LYS 13 4.830 4.351 13.742 418 HZ1 LYS 13 HZ1 LYS 13 5.473 6.925 13.362 419 HZ2 LYS 13 HZ2 LYS 13 6.483 6.170 12.223 420 HZ3 LYS 13 HZ3 LYS 13 6.570 5.731 13.863 421 H LEU 14 HN LEU 14 2.728 2.051 7.810 422 HA LEU 14 HA LEU 14 0.550 3.601 8.714 423 HB2 LEU 14 HB2 LEU 14 1.246 2.435 6.016 424 HB3 LEU 14 HB1 LEU 14 -0.150 3.476 6.263 425 HG LEU 14 HG LEU 14 2.640 4.295 7.121 426 HD11 LEU 14 HD11 LEU 14 2.882 3.987 4.773 427 HD12 LEU 14 HD12 LEU 14 2.542 5.704 4.968 428 HD13 LEU 14 HD13 LEU 14 1.265 4.606 4.443 429 HD21 LEU 14 HD21 LEU 14 1.462 6.597 6.676 430 HD22 LEU 14 HD22 LEU 14 1.050 5.726 8.140 431 HD23 LEU 14 HD23 LEU 14 -0.035 5.675 6.752 432 H LEU 15 HN LEU 15 0.736 0.307 7.468 433 HA LEU 15 HA LEU 15 -2.051 -0.186 7.408 434 HB2 LEU 15 HB2 LEU 15 0.298 -2.072 7.715 435 HB3 LEU 15 HB1 LEU 15 -1.363 -2.593 7.444 436 HG LEU 15 HG LEU 15 0.136 -0.705 5.608 437 HD11 LEU 15 HD11 LEU 15 1.246 -2.820 5.454 438 HD12 LEU 15 HD12 LEU 15 0.152 -2.728 4.072 439 HD13 LEU 15 HD13 LEU 15 -0.287 -3.695 5.480 440 HD21 LEU 15 HD21 LEU 15 -2.104 -0.314 5.129 441 HD22 LEU 15 HD22 LEU 15 -2.614 -1.932 5.606 442 HD23 LEU 15 HD23 LEU 15 -1.808 -1.677 4.061 443 H ASP 16 HN ASP 16 0.391 -0.604 9.911 444 HA ASP 16 HA ASP 16 -1.216 -1.968 11.789 445 HB2 ASP 16 HB2 ASP 16 1.198 -0.181 12.112 446 HB3 ASP 16 HB1 ASP 16 0.434 -1.017 13.464 447 H ASP 17 HN ASP 17 -0.779 1.446 11.071 448 HA ASP 17 HA ASP 17 -2.130 2.488 13.330 449 HB2 ASP 17 HB2 ASP 17 -1.631 3.606 10.569 450 HB3 ASP 17 HB1 ASP 17 -2.431 4.523 11.844 451 H SER 18 HN SER 18 -3.271 0.697 10.709 452 HA SER 18 HA SER 18 -5.751 1.848 10.176 453 HB2 SER 18 HB2 SER 18 -6.399 -0.334 9.316 454 HB3 SER 18 HB1 SER 18 -4.721 -0.020 8.881 455 HG SER 18 HG SER 18 -4.496 -1.924 9.787 456 H SER 19 HN SER 19 -4.648 0.078 12.885 457 HA SER 19 HA SER 19 -7.300 -0.503 13.905 458 HB2 SER 19 HB2 SER 19 -5.356 -2.019 14.331 459 HB3 SER 19 HB1 SER 19 -4.656 -0.753 15.334 460 HG SER 19 HG SER 19 -6.112 -1.126 16.835 461 H SER 20 HN SER 20 -5.104 2.056 14.011 462 HA SER 20 HA SER 20 -5.986 3.182 16.526 463 HB2 SER 20 HB2 SER 20 -4.532 5.024 16.029 464 HB3 SER 20 HB1 SER 20 -3.692 3.549 15.558 465 HG SER 20 HG SER 20 -3.582 4.413 13.655 466 H2 ZBR 100 HA3 TBS 100 -1.351 0.990 -2.007 467 H4 ZBR 100 HC3 TBS 100 0.567 1.624 1.824 468 H6 ZBR 100 HB3 TBS 100 2.873 0.156 -1.541 469 H7 ZBR 100 HB11 TBS 100 1.490 0.752 -3.908 470 H7A ZBR 100 HB12 TBS 100 -0.154 0.109 -3.802 471 H8 ZBR 100 HA11 TBS 100 -2.185 2.684 0.014 472 H8A ZBR 100 HA12 TBS 100 -1.714 2.058 1.599 473 H9 ZBR 100 HC11 TBS 100 3.337 1.842 1.413 474 H9A ZBR 100 HC12 TBS 100 3.916 0.425 0.531 Start of MODEL 15 1 H1 LYS 1 HN LYS 1 -6.989 5.296 16.943 2 HA LYS 1 HA LYS 1 -9.121 5.775 15.092 3 HB2 LYS 1 HB2 LYS 1 -8.290 7.164 17.646 4 HB3 LYS 1 HB1 LYS 1 -9.730 7.595 16.724 5 HG2 LYS 1 HG2 LYS 1 -10.582 5.294 16.962 6 HG3 LYS 1 HG1 LYS 1 -9.141 4.854 17.880 7 HD2 LYS 1 HD2 LYS 1 -9.713 6.482 19.615 8 HD3 LYS 1 HD1 LYS 1 -11.117 7.010 18.687 9 HE2 LYS 1 HE2 LYS 1 -11.839 5.438 20.411 10 HE3 LYS 1 HE1 LYS 1 -12.029 4.691 18.825 11 HZ1 LYS 1 HZ1 LYS 1 -9.715 4.292 20.642 12 HZ2 LYS 1 HZ2 LYS 1 -9.938 3.549 19.130 13 HZ3 LYS 1 HZ3 LYS 1 -10.986 3.192 20.421 14 H ASN 2 HN ASN 2 -6.102 6.492 14.627 15 HA ASN 2 HA ASN 2 -5.935 9.254 14.295 16 HB2 ASN 2 HB2 ASN 2 -4.071 8.723 12.687 17 HB3 ASN 2 HB1 ASN 2 -3.936 7.888 14.231 18 HD21 ASN 2 HD21 ASN 2 -2.784 6.987 11.662 19 HD22 ASN 2 HD22 ASN 2 -3.508 5.494 11.317 20 HA PRO 3 HA PRO 3 -8.446 10.088 10.746 21 HB2 PRO 3 HB2 PRO 3 -6.973 12.118 9.562 22 HB3 PRO 3 HB1 PRO 3 -8.004 12.341 10.989 23 HG2 PRO 3 HG2 PRO 3 -5.044 11.947 10.837 24 HG3 PRO 3 HG1 PRO 3 -5.982 13.048 11.863 25 HD2 PRO 3 HD2 PRO 3 -4.977 10.750 12.817 26 HD3 PRO 3 HD1 PRO 3 -6.532 11.378 13.387 27 H GLU 4 HN GLU 4 -5.114 9.211 10.399 28 HA GLU 4 HA GLU 4 -4.969 9.024 7.575 29 HB2 GLU 4 HB2 GLU 4 -3.456 7.498 9.705 30 HB3 GLU 4 HB1 GLU 4 -3.031 7.538 7.997 31 HG2 GLU 4 HG2 GLU 4 -3.241 9.989 9.766 32 HG3 GLU 4 HG1 GLU 4 -1.729 9.177 9.365 33 H ALA 5 HN ALA 5 -6.724 7.241 9.850 34 HA ALA 5 HA ALA 5 -6.654 4.634 8.831 35 HB1 ALA 5 HB1 ALA 5 -8.689 4.266 10.028 36 HB2 ALA 5 HB2 ALA 5 -9.117 5.975 9.960 37 HB3 ALA 5 HB3 ALA 5 -7.774 5.442 10.971 38 H GLU 6 HN GLU 6 -8.513 7.479 7.818 39 HA GLU 6 HA GLU 6 -10.240 6.174 6.000 40 HB2 GLU 6 HB2 GLU 6 -9.159 8.988 6.164 41 HB3 GLU 6 HB1 GLU 6 -10.281 8.493 4.895 42 HG2 GLU 6 HG2 GLU 6 -11.583 9.420 6.698 43 HG3 GLU 6 HG1 GLU 6 -11.834 7.680 6.709 44 H GLU 7 HN GLU 7 -6.956 7.412 5.677 45 HA GLU 7 HA GLU 7 -6.733 7.126 2.877 46 HB2 GLU 7 HB2 GLU 7 -5.122 8.428 4.220 47 HB3 GLU 7 HB1 GLU 7 -4.566 6.939 4.986 48 HG2 GLU 7 HG2 GLU 7 -3.058 7.562 3.154 49 HG3 GLU 7 HG1 GLU 7 -3.887 6.061 2.763 50 H ILE 8 HN ILE 8 -6.200 4.913 5.566 51 HA ILE 8 HA ILE 8 -5.008 2.793 4.101 52 HB ILE 8 HB ILE 8 -6.817 2.581 6.531 53 HG12 ILE 8 HG12 ILE 8 -5.054 4.192 6.990 54 HG13 ILE 8 HG11 ILE 8 -4.651 2.691 7.805 55 HG21 ILE 8 HG21 ILE 8 -4.475 0.784 5.892 56 HG22 ILE 8 HG22 ILE 8 -6.025 0.481 5.128 57 HG23 ILE 8 HG23 ILE 8 -5.893 0.453 6.873 58 HD11 ILE 8 HD11 ILE 8 -3.313 2.151 5.617 59 HD12 ILE 8 HD12 ILE 8 -2.621 3.271 6.788 60 HD13 ILE 8 HD13 ILE 8 -3.413 3.889 5.343 61 H THR 9 HN THR 9 -8.396 3.572 4.782 62 HA THR 9 HA THR 9 -9.541 1.253 3.667 63 HB THR 9 HB THR 9 -10.638 4.072 3.790 64 HG1 THR 9 HG1 THR 9 -11.513 3.387 5.699 65 HG21 THR 9 HG21 THR 9 -11.927 1.397 3.221 66 HG22 THR 9 HG22 THR 9 -11.928 2.831 2.195 67 HG23 THR 9 HG23 THR 9 -12.846 2.823 3.701 68 H ARG 10 HN ARG 10 -8.640 4.359 2.206 69 HA ARG 10 HA ARG 10 -9.641 3.829 -0.390 70 HB2 ARG 10 HB2 ARG 10 -8.995 6.084 0.378 71 HB3 ARG 10 HB1 ARG 10 -7.307 5.576 0.413 72 HG2 ARG 10 HG2 ARG 10 -7.283 5.200 -1.959 73 HG3 ARG 10 HG1 ARG 10 -9.030 5.422 -2.072 74 HD2 ARG 10 HD2 ARG 10 -7.947 7.465 -2.810 75 HD3 ARG 10 HD1 ARG 10 -8.728 7.768 -1.262 76 HE ARG 10 HE ARG 10 -6.041 6.986 -0.813 77 HH11 ARG 10 HH11 ARG 10 -4.532 8.603 -0.303 78 HH12 ARG 10 HH12 ARG 10 -4.874 10.254 -0.680 79 HH21 ARG 10 HH21 ARG 10 -7.970 9.570 -2.080 80 HH22 ARG 10 HH22 ARG 10 -6.819 10.804 -1.688 81 H CYS 11 HN CYS 11 -6.500 3.218 1.132 82 HA CYS 11 HA CYS 11 -5.078 2.332 -1.106 83 HB2 CYS 11 HB2 CYS 11 -4.145 2.741 1.189 84 HB3 CYS 11 HB1 CYS 11 -4.858 1.211 1.694 85 H LYS 12 HN LYS 12 -7.193 0.563 1.117 86 HA LYS 12 HA LYS 12 -6.847 -2.003 -0.005 87 HB2 LYS 12 HB2 LYS 12 -7.899 -1.585 2.200 88 HB3 LYS 12 HB1 LYS 12 -9.294 -0.884 1.380 89 HG2 LYS 12 HG2 LYS 12 -9.731 -2.999 0.235 90 HG3 LYS 12 HG1 LYS 12 -8.286 -3.711 0.953 91 HD2 LYS 12 HD2 LYS 12 -9.248 -3.371 3.208 92 HD3 LYS 12 HD1 LYS 12 -10.704 -2.695 2.476 93 HE2 LYS 12 HE2 LYS 12 -9.652 -5.483 1.919 94 HE3 LYS 12 HE1 LYS 12 -10.939 -5.117 3.068 95 HZ1 LYS 12 HZ1 LYS 12 -12.405 -4.911 1.432 96 HZ2 LYS 12 HZ2 LYS 12 -11.241 -5.582 0.392 97 HZ3 LYS 12 HZ3 LYS 12 -11.390 -3.895 0.530 98 H LYS 13 HN LYS 13 -9.140 0.603 -0.714 99 HA LYS 13 HA LYS 13 -10.742 -0.781 -2.571 100 HB2 LYS 13 HB2 LYS 13 -11.348 1.410 -1.590 101 HB3 LYS 13 HB1 LYS 13 -10.062 2.169 -2.528 102 HG2 LYS 13 HG2 LYS 13 -11.136 1.426 -4.622 103 HG3 LYS 13 HG1 LYS 13 -12.412 0.643 -3.688 104 HD2 LYS 13 HD2 LYS 13 -13.076 2.810 -2.746 105 HD3 LYS 13 HD1 LYS 13 -11.773 3.605 -3.631 106 HE2 LYS 13 HE2 LYS 13 -13.898 3.855 -4.841 107 HE3 LYS 13 HE1 LYS 13 -12.780 2.854 -5.767 108 HZ1 LYS 13 HZ1 LYS 13 -14.286 1.254 -5.750 109 HZ2 LYS 13 HZ2 LYS 13 -15.334 2.195 -4.798 110 HZ3 LYS 13 HZ3 LYS 13 -14.195 1.173 -4.059 111 H LEU 14 HN LEU 14 -7.738 1.059 -2.961 112 HA LEU 14 HA LEU 14 -7.642 1.015 -5.773 113 HB2 LEU 14 HB2 LEU 14 -5.557 1.237 -3.609 114 HB3 LEU 14 HB1 LEU 14 -5.080 1.193 -5.304 115 HG LEU 14 HG LEU 14 -7.235 3.117 -4.412 116 HD11 LEU 14 HD11 LEU 14 -5.558 3.749 -2.887 117 HD12 LEU 14 HD12 LEU 14 -5.256 4.801 -4.265 118 HD13 LEU 14 HD13 LEU 14 -4.252 3.372 -4.008 119 HD21 LEU 14 HD21 LEU 14 -6.242 4.426 -6.313 120 HD22 LEU 14 HD22 LEU 14 -6.845 2.856 -6.823 121 HD23 LEU 14 HD23 LEU 14 -5.115 3.104 -6.596 122 H LEU 15 HN LEU 15 -6.445 -1.270 -3.354 123 HA LEU 15 HA LEU 15 -5.136 -3.006 -5.175 124 HB2 LEU 15 HB2 LEU 15 -6.359 -3.516 -2.452 125 HB3 LEU 15 HB1 LEU 15 -5.356 -4.676 -3.320 126 HG LEU 15 HG LEU 15 -4.457 -1.865 -2.632 127 HD11 LEU 15 HD11 LEU 15 -3.235 -2.791 -0.784 128 HD12 LEU 15 HD12 LEU 15 -3.662 -4.437 -1.251 129 HD13 LEU 15 HD13 LEU 15 -4.901 -3.347 -0.624 130 HD21 LEU 15 HD21 LEU 15 -2.175 -3.144 -2.993 131 HD22 LEU 15 HD22 LEU 15 -3.076 -2.571 -4.384 132 HD23 LEU 15 HD23 LEU 15 -3.168 -4.270 -3.920 133 H ASP 16 HN ASP 16 -8.424 -2.943 -3.871 134 HA ASP 16 HA ASP 16 -9.308 -5.352 -5.074 135 HB2 ASP 16 HB2 ASP 16 -10.781 -2.904 -4.106 136 HB3 ASP 16 HB1 ASP 16 -11.605 -4.322 -4.752 137 H ASP 17 HN ASP 17 -9.259 -2.003 -6.161 138 HA ASP 17 HA ASP 17 -10.794 -2.361 -8.510 139 HB2 ASP 17 HB2 ASP 17 -8.725 -0.303 -7.734 140 HB3 ASP 17 HB1 ASP 17 -9.620 -0.238 -9.251 141 H SER 18 HN SER 18 -7.749 -3.518 -7.680 142 HA SER 18 HA SER 18 -6.300 -3.305 -10.053 143 HB2 SER 18 HB2 SER 18 -4.975 -5.158 -9.226 144 HB3 SER 18 HB1 SER 18 -5.407 -4.117 -7.870 145 HG SER 18 HG SER 18 -6.178 -5.894 -7.057 146 H SER 19 HN SER 19 -9.034 -5.183 -9.284 147 HA SER 19 HA SER 19 -8.669 -7.128 -11.393 148 HB2 SER 19 HB2 SER 19 -9.898 -7.731 -9.342 149 HB3 SER 19 HB1 SER 19 -11.117 -6.520 -9.732 150 HG SER 19 HG SER 19 -11.959 -8.239 -10.680 151 H SER 20 HN SER 20 -9.873 -3.985 -11.139 152 HA SER 20 HA SER 20 -11.731 -4.114 -13.344 153 HB2 SER 20 HB2 SER 20 -11.958 -2.453 -11.498 154 HB3 SER 20 HB1 SER 20 -10.481 -1.675 -12.060 155 HG SER 20 HG SER 20 -11.688 -0.685 -13.454 156 H1 LYS 1 HN LYS 1 -11.455 -3.161 -15.398 157 HA LYS 1 HA LYS 1 -8.843 -3.520 -16.516 158 HB2 LYS 1 HB2 LYS 1 -11.421 -2.455 -17.680 159 HB3 LYS 1 HB1 LYS 1 -9.947 -2.688 -18.620 160 HG2 LYS 1 HG2 LYS 1 -9.934 -5.080 -18.006 161 HG3 LYS 1 HG1 LYS 1 -11.417 -4.847 -17.078 162 HD2 LYS 1 HD2 LYS 1 -12.612 -4.167 -19.107 163 HD3 LYS 1 HD1 LYS 1 -11.130 -4.318 -20.051 164 HE2 LYS 1 HE2 LYS 1 -12.507 -6.329 -20.328 165 HE3 LYS 1 HE1 LYS 1 -11.023 -6.729 -19.463 166 HZ1 LYS 1 HZ1 LYS 1 -13.640 -6.157 -18.184 167 HZ2 LYS 1 HZ2 LYS 1 -12.212 -6.619 -17.387 168 HZ3 LYS 1 HZ3 LYS 1 -12.997 -7.706 -18.431 169 H ASN 2 HN ASN 2 -9.705 -1.228 -14.546 170 HA ASN 2 HA ASN 2 -9.321 1.199 -15.863 171 HB2 ASN 2 HB2 ASN 2 -8.716 2.082 -13.581 172 HB3 ASN 2 HB1 ASN 2 -10.216 1.163 -13.616 173 HD21 ASN 2 HD21 ASN 2 -8.440 1.554 -11.271 174 HD22 ASN 2 HD22 ASN 2 -7.928 0.005 -10.812 175 HA PRO 3 HA PRO 3 -4.995 1.272 -16.787 176 HB2 PRO 3 HB2 PRO 3 -4.453 3.967 -16.406 177 HB3 PRO 3 HB1 PRO 3 -5.274 3.311 -17.836 178 HG2 PRO 3 HG2 PRO 3 -6.446 4.590 -15.402 179 HG3 PRO 3 HG1 PRO 3 -6.896 4.787 -17.107 180 HD2 PRO 3 HD2 PRO 3 -8.325 3.239 -15.444 181 HD3 PRO 3 HD1 PRO 3 -8.123 2.812 -17.152 182 H GLU 4 HN GLU 4 -6.173 2.412 -13.732 183 HA GLU 4 HA GLU 4 -3.707 2.907 -12.433 184 HB2 GLU 4 HB2 GLU 4 -6.367 2.025 -11.288 185 HB3 GLU 4 HB1 GLU 4 -5.009 2.631 -10.341 186 HG2 GLU 4 HG2 GLU 4 -6.374 4.174 -12.565 187 HG3 GLU 4 HG1 GLU 4 -6.701 4.397 -10.848 188 H ALA 5 HN ALA 5 -5.101 0.039 -13.562 189 HA ALA 5 HA ALA 5 -4.353 -1.853 -11.638 190 HB1 ALA 5 HB1 ALA 5 -4.572 -3.485 -13.367 191 HB2 ALA 5 HB2 ALA 5 -4.224 -2.299 -14.624 192 HB3 ALA 5 HB3 ALA 5 -5.748 -2.224 -13.739 193 H GLU 6 HN GLU 6 -2.482 -0.299 -14.217 194 HA GLU 6 HA GLU 6 -0.171 -1.909 -14.035 195 HB2 GLU 6 HB2 GLU 6 -0.637 0.939 -14.917 196 HB3 GLU 6 HB1 GLU 6 0.965 0.204 -14.961 197 HG2 GLU 6 HG2 GLU 6 -0.033 -0.115 -17.127 198 HG3 GLU 6 HG1 GLU 6 -0.040 -1.676 -16.319 199 H GLU 7 HN GLU 7 -1.239 0.912 -12.217 200 HA GLU 7 HA GLU 7 1.176 1.375 -10.823 201 HB2 GLU 7 HB2 GLU 7 -0.668 3.022 -10.905 202 HB3 GLU 7 HB1 GLU 7 -1.667 1.937 -9.937 203 HG2 GLU 7 HG2 GLU 7 -0.632 3.636 -8.502 204 HG3 GLU 7 HG1 GLU 7 0.008 2.047 -8.104 205 H ILE 8 HN ILE 8 -1.603 -0.706 -10.203 206 HA ILE 8 HA ILE 8 -0.917 -1.510 -7.569 207 HB ILE 8 HB ILE 8 -2.328 -3.154 -9.697 208 HG12 ILE 8 HG12 ILE 8 -3.415 -0.986 -9.524 209 HG13 ILE 8 HG11 ILE 8 -4.409 -2.167 -8.684 210 HG21 ILE 8 HG21 ILE 8 -2.894 -3.236 -6.732 211 HG22 ILE 8 HG22 ILE 8 -1.530 -4.142 -7.364 212 HG23 ILE 8 HG23 ILE 8 -3.146 -4.478 -7.946 213 HD11 ILE 8 HD11 ILE 8 -3.039 -1.427 -6.567 214 HD12 ILE 8 HD12 ILE 8 -4.344 -0.397 -7.151 215 HD13 ILE 8 HD13 ILE 8 -2.671 -0.001 -7.534 216 H THR 9 HN THR 9 -0.020 -2.816 -10.741 217 HA THR 9 HA THR 9 1.350 -5.101 -9.830 218 HB THR 9 HB THR 9 1.881 -3.388 -12.272 219 HG1 THR 9 HG1 THR 9 0.497 -4.795 -13.265 220 HG21 THR 9 HG21 THR 9 2.795 -6.153 -11.463 221 HG22 THR 9 HG22 THR 9 3.795 -4.773 -11.915 222 HG23 THR 9 HG23 THR 9 2.820 -5.592 -13.135 223 H ARG 10 HN ARG 10 2.451 -1.766 -10.383 224 HA ARG 10 HA ARG 10 5.190 -2.202 -9.811 225 HB2 ARG 10 HB2 ARG 10 4.347 -0.162 -10.912 226 HB3 ARG 10 HB1 ARG 10 3.548 0.307 -9.410 227 HG2 ARG 10 HG2 ARG 10 5.642 0.509 -8.258 228 HG3 ARG 10 HG1 ARG 10 6.523 -0.220 -9.602 229 HD2 ARG 10 HD2 ARG 10 6.826 2.189 -9.690 230 HD3 ARG 10 HD1 ARG 10 5.810 1.694 -11.039 231 HE ARG 10 HE ARG 10 4.164 2.390 -8.841 232 HH11 ARG 10 HH11 ARG 10 3.134 4.415 -8.882 233 HH12 ARG 10 HH12 ARG 10 3.729 5.667 -9.912 234 HH21 ARG 10 HH21 ARG 10 6.320 3.751 -11.187 235 HH22 ARG 10 HH22 ARG 10 5.533 5.294 -11.217 236 H CYS 11 HN CYS 11 2.437 -1.326 -7.753 237 HA CYS 11 HA CYS 11 3.793 -0.864 -5.351 238 HB2 CYS 11 HB2 CYS 11 1.354 -0.477 -5.790 239 HB3 CYS 11 HB1 CYS 11 1.106 -2.213 -5.634 240 H LYS 12 HN LYS 12 2.600 -3.894 -6.759 241 HA LYS 12 HA LYS 12 3.303 -5.591 -4.610 242 HB2 LYS 12 HB2 LYS 12 1.795 -6.260 -6.459 243 HB3 LYS 12 HB1 LYS 12 3.174 -6.259 -7.560 244 HG2 LYS 12 HG2 LYS 12 4.275 -7.996 -6.244 245 HG3 LYS 12 HG1 LYS 12 2.972 -7.958 -5.055 246 HD2 LYS 12 HD2 LYS 12 1.367 -8.649 -6.807 247 HD3 LYS 12 HD1 LYS 12 2.686 -8.721 -7.977 248 HE2 LYS 12 HE2 LYS 12 2.584 -10.338 -5.414 249 HE3 LYS 12 HE1 LYS 12 2.125 -10.957 -7.001 250 HZ1 LYS 12 HZ1 LYS 12 4.241 -11.248 -7.544 251 HZ2 LYS 12 HZ2 LYS 12 4.643 -10.934 -5.924 252 HZ3 LYS 12 HZ3 LYS 12 4.667 -9.677 -7.066 253 H LYS 13 HN LYS 13 5.082 -4.509 -7.473 254 HA LYS 13 HA LYS 13 7.368 -6.124 -7.140 255 HB2 LYS 13 HB2 LYS 13 6.866 -4.857 -9.207 256 HB3 LYS 13 HB1 LYS 13 7.202 -3.353 -8.347 257 HG2 LYS 13 HG2 LYS 13 9.507 -4.104 -7.905 258 HG3 LYS 13 HG1 LYS 13 9.172 -5.626 -8.731 259 HD2 LYS 13 HD2 LYS 13 8.729 -4.417 -10.820 260 HD3 LYS 13 HD1 LYS 13 9.009 -2.879 -10.001 261 HE2 LYS 13 HE2 LYS 13 11.028 -3.564 -11.217 262 HE3 LYS 13 HE1 LYS 13 11.325 -3.598 -9.479 263 HZ1 LYS 13 HZ1 LYS 13 11.898 -5.710 -9.699 264 HZ2 LYS 13 HZ2 LYS 13 11.473 -5.712 -11.344 265 HZ3 LYS 13 HZ3 LYS 13 10.310 -6.082 -10.162 266 H LEU 14 HN LEU 14 6.510 -2.944 -5.844 267 HA LEU 14 HA LEU 14 9.001 -2.343 -4.672 268 HB2 LEU 14 HB2 LEU 14 6.162 -1.498 -4.117 269 HB3 LEU 14 HB1 LEU 14 7.476 -0.932 -3.088 270 HG LEU 14 HG LEU 14 7.733 -0.683 -6.091 271 HD11 LEU 14 HD11 LEU 14 5.664 0.405 -5.849 272 HD12 LEU 14 HD12 LEU 14 6.818 1.722 -5.670 273 HD13 LEU 14 HD13 LEU 14 6.054 1.018 -4.242 274 HD21 LEU 14 HD21 LEU 14 9.070 1.316 -5.376 275 HD22 LEU 14 HD22 LEU 14 9.699 -0.181 -4.699 276 HD23 LEU 14 HD23 LEU 14 8.739 0.905 -3.696 277 H LEU 15 HN LEU 15 6.182 -4.079 -3.429 278 HA LEU 15 HA LEU 15 7.159 -4.433 -0.792 279 HB2 LEU 15 HB2 LEU 15 5.212 -6.070 -2.438 280 HB3 LEU 15 HB1 LEU 15 5.494 -6.304 -0.715 281 HG LEU 15 HG LEU 15 4.632 -3.667 -1.936 282 HD11 LEU 15 HD11 LEU 15 2.393 -4.162 -1.215 283 HD12 LEU 15 HD12 LEU 15 2.916 -5.646 -0.419 284 HD13 LEU 15 HD13 LEU 15 2.941 -5.533 -2.180 285 HD21 LEU 15 HD21 LEU 15 3.902 -3.418 0.591 286 HD22 LEU 15 HD22 LEU 15 5.572 -3.134 0.140 287 HD23 LEU 15 HD23 LEU 15 5.109 -4.671 0.870 288 H ASP 16 HN ASP 16 7.414 -6.398 -3.722 289 HA ASP 16 HA ASP 16 8.741 -8.600 -2.531 290 HB2 ASP 16 HB2 ASP 16 8.645 -7.586 -5.371 291 HB3 ASP 16 HB1 ASP 16 9.489 -9.063 -4.907 292 H ASP 17 HN ASP 17 9.889 -5.602 -3.969 293 HA ASP 17 HA ASP 17 12.647 -6.242 -3.987 294 HB2 ASP 17 HB2 ASP 17 11.179 -3.603 -3.952 295 HB3 ASP 17 HB1 ASP 17 12.933 -3.727 -4.066 296 H SER 18 HN SER 18 10.521 -5.745 -1.436 297 HA SER 18 HA SER 18 12.037 -4.306 0.411 298 HB2 SER 18 HB2 SER 18 10.615 -5.290 2.111 299 HB3 SER 18 HB1 SER 18 9.640 -4.949 0.682 300 HG SER 18 HG SER 18 9.160 -6.986 0.767 301 H SER 19 HN SER 19 12.427 -7.465 -0.803 302 HA SER 19 HA SER 19 14.054 -8.432 1.383 303 HB2 SER 19 HB2 SER 19 12.717 -10.005 0.036 304 HB3 SER 19 HB1 SER 19 13.660 -9.573 -1.387 305 HG SER 19 HG SER 19 14.766 -11.254 -0.650 306 H SER 20 HN SER 20 14.528 -6.542 -1.375 307 HA SER 20 HA SER 20 17.314 -7.180 -1.790 308 HB2 SER 20 HB2 SER 20 15.841 -6.332 -3.617 309 HB3 SER 20 HB1 SER 20 15.758 -4.782 -2.784 310 HG SER 20 HG SER 20 17.573 -4.354 -3.737 311 H1 LYS 1 HN LYS 1 19.089 -5.818 -1.344 312 HA LYS 1 HA LYS 1 18.932 -4.485 1.184 313 HB2 LYS 1 HB2 LYS 1 21.163 -4.747 -0.839 314 HB3 LYS 1 HB1 LYS 1 21.349 -3.953 0.726 315 HG2 LYS 1 HG2 LYS 1 20.667 -6.029 1.869 316 HG3 LYS 1 HG1 LYS 1 20.478 -6.829 0.308 317 HD2 LYS 1 HD2 LYS 1 22.859 -6.482 -0.182 318 HD3 LYS 1 HD1 LYS 1 23.063 -5.636 1.354 319 HE2 LYS 1 HE2 LYS 1 23.794 -7.957 1.596 320 HE3 LYS 1 HE1 LYS 1 22.334 -7.695 2.550 321 HZ1 LYS 1 HZ1 LYS 1 22.412 -8.862 -0.180 322 HZ2 LYS 1 HZ2 LYS 1 21.024 -8.644 0.775 323 HZ3 LYS 1 HZ3 LYS 1 22.226 -9.745 1.256 324 H ASN 2 HN ASN 2 17.657 -3.472 -1.497 325 HA ASN 2 HA ASN 2 18.806 -0.999 -2.088 326 HB2 ASN 2 HB2 ASN 2 16.538 -0.429 -3.030 327 HB3 ASN 2 HB1 ASN 2 17.179 -1.969 -3.590 328 HD21 ASN 2 HD21 ASN 2 14.316 -1.195 -3.420 329 HD22 ASN 2 HD22 ASN 2 13.600 -2.300 -2.352 330 HA PRO 3 HA PRO 3 17.746 1.543 1.376 331 HB2 PRO 3 HB2 PRO 3 17.323 3.969 0.102 332 HB3 PRO 3 HB1 PRO 3 18.927 3.286 0.428 333 HG2 PRO 3 HG2 PRO 3 17.320 3.224 -2.092 334 HG3 PRO 3 HG1 PRO 3 19.060 3.494 -1.870 335 HD2 PRO 3 HD2 PRO 3 18.094 1.122 -2.682 336 HD3 PRO 3 HD1 PRO 3 19.521 1.227 -1.638 337 H GLU 4 HN GLU 4 15.582 1.223 -1.311 338 HA GLU 4 HA GLU 4 13.365 2.668 -0.304 339 HB2 GLU 4 HB2 GLU 4 13.447 0.298 -2.184 340 HB3 GLU 4 HB1 GLU 4 12.044 1.328 -1.909 341 HG2 GLU 4 HG2 GLU 4 14.727 2.330 -2.897 342 HG3 GLU 4 HG1 GLU 4 13.354 1.975 -3.943 343 H ALA 5 HN ALA 5 14.840 -0.182 0.755 344 HA ALA 5 HA ALA 5 12.683 -1.749 1.621 345 HB1 ALA 5 HB1 ALA 5 14.243 -2.856 3.043 346 HB2 ALA 5 HB2 ALA 5 15.287 -1.436 3.121 347 HB3 ALA 5 HB3 ALA 5 15.159 -2.355 1.622 348 H GLU 6 HN GLU 6 14.266 1.054 3.098 349 HA GLU 6 HA GLU 6 13.011 0.919 5.622 350 HB2 GLU 6 HB2 GLU 6 14.157 3.197 4.007 351 HB3 GLU 6 HB1 GLU 6 13.459 3.450 5.607 352 HG2 GLU 6 HG2 GLU 6 15.824 3.115 5.900 353 HG3 GLU 6 HG1 GLU 6 15.018 1.659 6.467 354 H GLU 7 HN GLU 7 11.999 2.294 2.541 355 HA GLU 7 HA GLU 7 9.720 3.663 3.490 356 HB2 GLU 7 HB2 GLU 7 10.686 4.062 1.251 357 HB3 GLU 7 HB1 GLU 7 10.201 2.439 0.761 358 HG2 GLU 7 HG2 GLU 7 8.551 4.085 -0.007 359 HG3 GLU 7 HG1 GLU 7 7.827 3.025 1.194 360 H ILE 8 HN ILE 8 10.261 0.353 2.421 361 HA ILE 8 HA ILE 8 7.553 -0.490 2.349 362 HB ILE 8 HB ILE 8 9.983 -2.153 3.086 363 HG12 ILE 8 HG12 ILE 8 10.422 -0.975 1.003 364 HG13 ILE 8 HG11 ILE 8 10.049 -2.648 0.622 365 HG21 ILE 8 HG21 ILE 8 7.571 -3.133 1.556 366 HG22 ILE 8 HG22 ILE 8 7.474 -3.013 3.303 367 HG23 ILE 8 HG23 ILE 8 8.690 -4.035 2.564 368 HD11 ILE 8 HD11 ILE 8 7.585 -1.759 0.369 369 HD12 ILE 8 HD12 ILE 8 8.739 -1.488 -0.933 370 HD13 ILE 8 HD13 ILE 8 8.371 -0.191 0.199 371 H THR 9 HN THR 9 9.933 -0.414 4.973 372 HA THR 9 HA THR 9 8.395 -1.753 6.916 373 HB THR 9 HB THR 9 10.451 0.443 7.276 374 HG1 THR 9 HG1 THR 9 11.870 -1.240 7.441 375 HG21 THR 9 HG21 THR 9 9.173 -1.520 9.186 376 HG22 THR 9 HG22 THR 9 9.228 0.237 9.318 377 HG23 THR 9 HG23 THR 9 10.699 -0.710 9.537 378 H ARG 10 HN ARG 10 8.595 1.682 6.028 379 HA ARG 10 HA ARG 10 6.868 2.667 8.044 380 HB2 ARG 10 HB2 ARG 10 8.343 4.115 6.693 381 HB3 ARG 10 HB1 ARG 10 7.356 3.774 5.271 382 HG2 ARG 10 HG2 ARG 10 5.431 4.820 6.248 383 HG3 ARG 10 HG1 ARG 10 6.227 4.962 7.817 384 HD2 ARG 10 HD2 ARG 10 6.311 7.121 6.707 385 HD3 ARG 10 HD1 ARG 10 7.935 6.445 6.755 386 HE ARG 10 HE ARG 10 6.686 5.701 4.322 387 HH11 ARG 10 HH11 ARG 10 7.275 6.821 2.438 388 HH12 ARG 10 HH12 ARG 10 8.031 8.371 2.555 389 HH21 ARG 10 HH21 ARG 10 7.980 8.430 6.020 390 HH22 ARG 10 HH22 ARG 10 8.429 9.284 4.581 391 H CYS 11 HN CYS 11 6.267 1.486 4.756 392 HA CYS 11 HA CYS 11 3.544 2.093 4.545 393 HB2 CYS 11 HB2 CYS 11 5.024 1.195 2.726 394 HB3 CYS 11 HB1 CYS 11 4.892 -0.392 3.477 395 H LYS 12 HN LYS 12 5.160 -0.740 5.946 396 HA LYS 12 HA LYS 12 2.828 -2.201 6.590 397 HB2 LYS 12 HB2 LYS 12 5.107 -3.172 6.588 398 HB3 LYS 12 HB1 LYS 12 5.497 -2.214 8.017 399 HG2 LYS 12 HG2 LYS 12 3.730 -3.329 9.289 400 HG3 LYS 12 HG1 LYS 12 3.243 -4.236 7.858 401 HD2 LYS 12 HD2 LYS 12 5.476 -5.293 7.773 402 HD3 LYS 12 HD1 LYS 12 5.945 -4.403 9.222 403 HE2 LYS 12 HE2 LYS 12 3.593 -6.309 9.087 404 HE3 LYS 12 HE1 LYS 12 5.188 -6.746 9.702 405 HZ1 LYS 12 HZ1 LYS 12 4.764 -5.747 11.621 406 HZ2 LYS 12 HZ2 LYS 12 3.146 -5.601 11.125 407 HZ3 LYS 12 HZ3 LYS 12 4.236 -4.325 10.863 408 H LYS 13 HN LYS 13 4.687 0.220 8.381 409 HA LYS 13 HA LYS 13 3.307 0.036 10.830 410 HB2 LYS 13 HB2 LYS 13 5.450 1.241 10.545 411 HB3 LYS 13 HB1 LYS 13 4.613 2.476 9.603 412 HG2 LYS 13 HG2 LYS 13 3.167 2.984 11.539 413 HG3 LYS 13 HG1 LYS 13 3.985 1.735 12.476 414 HD2 LYS 13 HD2 LYS 13 6.109 2.939 12.275 415 HD3 LYS 13 HD1 LYS 13 5.332 4.169 11.276 416 HE2 LYS 13 HE2 LYS 13 5.504 4.944 13.602 417 HE3 LYS 13 HE1 LYS 13 3.814 4.723 13.150 418 HZ1 LYS 13 HZ1 LYS 13 3.600 3.308 14.815 419 HZ2 LYS 13 HZ2 LYS 13 5.238 3.492 15.228 420 HZ3 LYS 13 HZ3 LYS 13 4.766 2.290 14.122 421 H LEU 14 HN LEU 14 2.686 1.926 7.902 422 HA LEU 14 HA LEU 14 0.581 3.499 8.917 423 HB2 LEU 14 HB2 LEU 14 1.357 2.564 6.159 424 HB3 LEU 14 HB1 LEU 14 -0.102 3.522 6.399 425 HG LEU 14 HG LEU 14 2.506 4.475 7.595 426 HD11 LEU 14 HD11 LEU 14 3.261 4.236 5.392 427 HD12 LEU 14 HD12 LEU 14 2.628 5.879 5.384 428 HD13 LEU 14 HD13 LEU 14 1.676 4.561 4.694 429 HD21 LEU 14 HD21 LEU 14 1.406 6.679 7.184 430 HD22 LEU 14 HD22 LEU 14 0.410 5.639 8.194 431 HD23 LEU 14 HD23 LEU 14 0.022 5.841 6.487 432 H LEU 15 HN LEU 15 0.601 0.317 7.372 433 HA LEU 15 HA LEU 15 -2.213 -0.005 7.261 434 HB2 LEU 15 HB2 LEU 15 0.027 -2.040 7.401 435 HB3 LEU 15 HB1 LEU 15 -1.657 -2.440 7.075 436 HG LEU 15 HG LEU 15 -0.053 -0.468 5.427 437 HD11 LEU 15 HD11 LEU 15 0.247 -2.208 3.793 438 HD12 LEU 15 HD12 LEU 15 -0.765 -3.321 4.711 439 HD13 LEU 15 HD13 LEU 15 0.812 -2.843 5.339 440 HD21 LEU 15 HD21 LEU 15 -1.996 -1.185 3.780 441 HD22 LEU 15 HD22 LEU 15 -2.296 0.034 5.006 442 HD23 LEU 15 HD23 LEU 15 -2.834 -1.626 5.268 443 H ASP 16 HN ASP 16 0.199 -0.875 9.696 444 HA ASP 16 HA ASP 16 -1.572 -2.232 11.443 445 HB2 ASP 16 HB2 ASP 16 1.078 -0.866 11.898 446 HB3 ASP 16 HB1 ASP 16 0.210 -1.722 13.171 447 H ASP 17 HN ASP 17 -0.613 1.139 11.141 448 HA ASP 17 HA ASP 17 -1.834 2.074 13.519 449 HB2 ASP 17 HB2 ASP 17 -1.070 3.458 10.947 450 HB3 ASP 17 HB1 ASP 17 -1.755 4.313 12.326 451 H SER 18 HN SER 18 -3.178 0.842 10.697 452 HA SER 18 HA SER 18 -5.420 2.448 10.284 453 HB2 SER 18 HB2 SER 18 -6.385 0.536 9.150 454 HB3 SER 18 HB1 SER 18 -4.658 0.592 8.796 455 HG SER 18 HG SER 18 -4.642 -1.355 9.561 456 H SER 19 HN SER 19 -4.661 0.298 12.818 457 HA SER 19 HA SER 19 -7.382 -0.092 13.713 458 HB2 SER 19 HB2 SER 19 -5.664 -1.808 14.151 459 HB3 SER 19 HB1 SER 19 -4.778 -0.650 15.140 460 HG SER 19 HG SER 19 -6.005 -1.614 16.611 461 H SER 20 HN SER 20 -5.002 2.285 14.060 462 HA SER 20 HA SER 20 -5.886 3.327 16.604 463 HB2 SER 20 HB2 SER 20 -3.555 3.628 15.773 464 HB3 SER 20 HB1 SER 20 -4.178 4.669 14.496 465 HG SER 20 HG SER 20 -4.066 6.192 15.933 466 H2 ZBR 100 HA3 TBS 100 -1.240 1.300 -2.155 467 H4 ZBR 100 HC3 TBS 100 0.565 2.043 1.696 468 H6 ZBR 100 HB3 TBS 100 2.975 0.560 -1.569 469 H7 ZBR 100 HB11 TBS 100 1.668 1.109 -3.976 470 H7A ZBR 100 HB12 TBS 100 0.025 0.464 -3.924 471 H8 ZBR 100 HA11 TBS 100 -2.148 3.034 -0.206 472 H8A ZBR 100 HA12 TBS 100 -1.715 2.450 1.404 473 H9 ZBR 100 HC11 TBS 100 3.314 2.316 1.382 474 H9A ZBR 100 HC12 TBS 100 3.972 0.925 0.513 Start of MODEL 16 1 H1 LYS 1 HN LYS 1 -6.566 4.791 16.693 2 HA LYS 1 HA LYS 1 -8.784 5.196 14.838 3 HB2 LYS 1 HB2 LYS 1 -8.225 6.144 17.652 4 HB3 LYS 1 HB1 LYS 1 -9.631 6.656 16.717 5 HG2 LYS 1 HG2 LYS 1 -10.415 4.382 16.510 6 HG3 LYS 1 HG1 LYS 1 -8.932 3.753 17.225 7 HD2 LYS 1 HD2 LYS 1 -10.594 3.721 18.957 8 HD3 LYS 1 HD1 LYS 1 -9.515 5.066 19.319 9 HE2 LYS 1 HE2 LYS 1 -11.097 6.665 18.435 10 HE3 LYS 1 HE1 LYS 1 -12.125 5.377 17.806 11 HZ1 LYS 1 HZ1 LYS 1 -12.202 6.560 20.315 12 HZ2 LYS 1 HZ2 LYS 1 -11.651 4.971 20.552 13 HZ3 LYS 1 HZ3 LYS 1 -13.127 5.253 19.759 14 H ASN 2 HN ASN 2 -5.836 6.277 14.771 15 HA ASN 2 HA ASN 2 -6.069 9.075 14.894 16 HB2 ASN 2 HB2 ASN 2 -3.924 9.129 13.700 17 HB3 ASN 2 HB1 ASN 2 -3.896 7.963 15.015 18 HD21 ASN 2 HD21 ASN 2 -5.849 6.622 12.680 19 HD22 ASN 2 HD22 ASN 2 -4.690 5.710 11.844 20 HA PRO 3 HA PRO 3 -8.087 10.252 11.107 21 HB2 PRO 3 HB2 PRO 3 -5.811 12.133 10.589 22 HB3 PRO 3 HB1 PRO 3 -7.552 12.469 10.676 23 HG2 PRO 3 HG2 PRO 3 -5.927 13.173 12.652 24 HG3 PRO 3 HG1 PRO 3 -7.552 12.547 12.987 25 HD2 PRO 3 HD2 PRO 3 -4.905 11.161 13.253 26 HD3 PRO 3 HD1 PRO 3 -6.354 11.053 14.273 27 H GLU 4 HN GLU 4 -4.755 9.273 11.089 28 HA GLU 4 HA GLU 4 -4.240 9.207 8.320 29 HB2 GLU 4 HB2 GLU 4 -3.150 7.518 10.579 30 HB3 GLU 4 HB1 GLU 4 -2.520 7.484 8.933 31 HG2 GLU 4 HG2 GLU 4 -1.991 9.867 9.048 32 HG3 GLU 4 HG1 GLU 4 -2.700 9.970 10.659 33 H ALA 5 HN ALA 5 -6.332 7.344 10.246 34 HA ALA 5 HA ALA 5 -6.306 4.847 8.968 35 HB1 ALA 5 HB1 ALA 5 -7.546 5.432 11.086 36 HB2 ALA 5 HB2 ALA 5 -8.485 4.499 9.920 37 HB3 ALA 5 HB3 ALA 5 -8.753 6.234 10.079 38 H GLU 6 HN GLU 6 -7.586 7.928 7.975 39 HA GLU 6 HA GLU 6 -9.465 7.081 6.057 40 HB2 GLU 6 HB2 GLU 6 -7.731 9.556 6.207 41 HB3 GLU 6 HB1 GLU 6 -9.000 9.330 5.002 42 HG2 GLU 6 HG2 GLU 6 -10.674 9.083 6.767 43 HG3 GLU 6 HG1 GLU 6 -9.422 9.214 8.001 44 H GLU 7 HN GLU 7 -5.964 7.547 5.884 45 HA GLU 7 HA GLU 7 -5.696 7.246 3.091 46 HB2 GLU 7 HB2 GLU 7 -3.891 8.136 4.528 47 HB3 GLU 7 HB1 GLU 7 -3.701 6.545 5.262 48 HG2 GLU 7 HG2 GLU 7 -2.023 6.867 3.499 49 HG3 GLU 7 HG1 GLU 7 -3.145 5.596 3.029 50 H ILE 8 HN ILE 8 -5.761 4.922 5.739 51 HA ILE 8 HA ILE 8 -5.004 2.631 4.275 52 HB ILE 8 HB ILE 8 -6.595 3.067 6.803 53 HG12 ILE 8 HG12 ILE 8 -4.655 2.057 7.851 54 HG13 ILE 8 HG11 ILE 8 -3.984 1.607 6.283 55 HG21 ILE 8 HG21 ILE 8 -7.663 1.109 6.029 56 HG22 ILE 8 HG22 ILE 8 -6.359 0.484 7.033 57 HG23 ILE 8 HG23 ILE 8 -6.189 0.491 5.279 58 HD11 ILE 8 HD11 ILE 8 -3.551 3.880 5.703 59 HD12 ILE 8 HD12 ILE 8 -3.003 3.707 7.370 60 HD13 ILE 8 HD13 ILE 8 -4.548 4.484 7.032 61 H THR 9 HN THR 9 -8.175 4.117 4.874 62 HA THR 9 HA THR 9 -9.740 2.119 3.668 63 HB THR 9 HB THR 9 -10.210 5.108 3.842 64 HG1 THR 9 HG1 THR 9 -11.392 4.519 5.668 65 HG21 THR 9 HG21 THR 9 -11.993 2.799 3.068 66 HG22 THR 9 HG22 THR 9 -11.707 4.302 2.192 67 HG23 THR 9 HG23 THR 9 -12.647 4.316 3.684 68 H ARG 10 HN ARG 10 -8.183 5.009 2.320 69 HA ARG 10 HA ARG 10 -9.160 4.706 -0.321 70 HB2 ARG 10 HB2 ARG 10 -8.162 6.803 0.507 71 HB3 ARG 10 HB1 ARG 10 -6.590 6.010 0.613 72 HG2 ARG 10 HG2 ARG 10 -6.553 5.630 -1.779 73 HG3 ARG 10 HG1 ARG 10 -8.206 6.225 -1.942 74 HD2 ARG 10 HD2 ARG 10 -6.665 7.991 -2.592 75 HD3 ARG 10 HD1 ARG 10 -7.452 8.439 -1.083 76 HE ARG 10 HE ARG 10 -4.984 7.096 -0.563 77 HH11 ARG 10 HH11 ARG 10 -3.232 8.370 0.105 78 HH12 ARG 10 HH12 ARG 10 -3.264 10.082 -0.139 79 HH21 ARG 10 HH21 ARG 10 -6.375 10.073 -1.663 80 HH22 ARG 10 HH22 ARG 10 -5.040 11.047 -1.142 81 H CYS 11 HN CYS 11 -6.244 3.544 1.306 82 HA CYS 11 HA CYS 11 -4.903 2.444 -0.880 83 HB2 CYS 11 HB2 CYS 11 -4.085 2.691 1.522 84 HB3 CYS 11 HB1 CYS 11 -4.957 1.199 1.864 85 H LYS 12 HN LYS 12 -7.351 1.007 1.243 86 HA LYS 12 HA LYS 12 -7.322 -1.578 0.129 87 HB2 LYS 12 HB2 LYS 12 -8.417 -1.003 2.278 88 HB3 LYS 12 HB1 LYS 12 -9.657 -0.117 1.390 89 HG2 LYS 12 HG2 LYS 12 -10.313 -2.169 0.213 90 HG3 LYS 12 HG1 LYS 12 -9.041 -3.067 1.042 91 HD2 LYS 12 HD2 LYS 12 -10.099 -2.556 3.214 92 HD3 LYS 12 HD1 LYS 12 -11.379 -1.674 2.381 93 HE2 LYS 12 HE2 LYS 12 -12.019 -3.728 1.177 94 HE3 LYS 12 HE1 LYS 12 -10.733 -4.613 1.999 95 HZ1 LYS 12 HZ1 LYS 12 -11.964 -4.819 3.819 96 HZ2 LYS 12 HZ2 LYS 12 -13.289 -4.303 2.888 97 HZ3 LYS 12 HZ3 LYS 12 -12.412 -3.183 3.816 98 H LYS 13 HN LYS 13 -9.196 1.315 -0.694 99 HA LYS 13 HA LYS 13 -10.862 0.143 -2.637 100 HB2 LYS 13 HB2 LYS 13 -11.223 2.402 -1.685 101 HB3 LYS 13 HB1 LYS 13 -9.802 2.979 -2.557 102 HG2 LYS 13 HG2 LYS 13 -10.839 2.435 -4.695 103 HG3 LYS 13 HG1 LYS 13 -12.230 1.729 -3.874 104 HD2 LYS 13 HD2 LYS 13 -12.736 3.929 -2.855 105 HD3 LYS 13 HD1 LYS 13 -11.364 4.632 -3.712 106 HE2 LYS 13 HE2 LYS 13 -13.671 3.240 -5.097 107 HE3 LYS 13 HE1 LYS 13 -13.583 4.986 -4.860 108 HZ1 LYS 13 HZ1 LYS 13 -12.626 4.782 -6.905 109 HZ2 LYS 13 HZ2 LYS 13 -11.958 3.254 -6.580 110 HZ3 LYS 13 HZ3 LYS 13 -11.242 4.652 -5.933 111 H LEU 14 HN LEU 14 -7.642 1.607 -2.880 112 HA LEU 14 HA LEU 14 -7.404 1.465 -5.691 113 HB2 LEU 14 HB2 LEU 14 -5.358 1.464 -3.470 114 HB3 LEU 14 HB1 LEU 14 -4.911 1.513 -5.173 115 HG LEU 14 HG LEU 14 -6.810 3.497 -3.882 116 HD11 LEU 14 HD11 LEU 14 -3.837 3.781 -4.423 117 HD12 LEU 14 HD12 LEU 14 -4.590 3.666 -2.834 118 HD13 LEU 14 HD13 LEU 14 -4.904 5.067 -3.854 119 HD21 LEU 14 HD21 LEU 14 -7.188 3.701 -6.178 120 HD22 LEU 14 HD22 LEU 14 -5.553 3.201 -6.604 121 HD23 LEU 14 HD23 LEU 14 -5.845 4.823 -5.991 122 H LEU 15 HN LEU 15 -6.552 -0.832 -3.133 123 HA LEU 15 HA LEU 15 -5.339 -2.756 -4.822 124 HB2 LEU 15 HB2 LEU 15 -6.663 -2.982 -2.117 125 HB3 LEU 15 HB1 LEU 15 -5.810 -4.316 -2.892 126 HG LEU 15 HG LEU 15 -4.563 -1.600 -2.364 127 HD11 LEU 15 HD11 LEU 15 -4.235 -4.151 -0.758 128 HD12 LEU 15 HD12 LEU 15 -5.222 -2.775 -0.262 129 HD13 LEU 15 HD13 LEU 15 -3.477 -2.592 -0.431 130 HD21 LEU 15 HD21 LEU 15 -3.210 -2.590 -4.003 131 HD22 LEU 15 HD22 LEU 15 -3.552 -4.229 -3.445 132 HD23 LEU 15 HD23 LEU 15 -2.449 -3.198 -2.537 133 H ASP 16 HN ASP 16 -8.643 -2.274 -3.715 134 HA ASP 16 HA ASP 16 -9.749 -4.652 -4.753 135 HB2 ASP 16 HB2 ASP 16 -10.955 -1.955 -4.133 136 HB3 ASP 16 HB1 ASP 16 -11.915 -3.320 -4.700 137 H ASP 17 HN ASP 17 -9.092 -1.525 -6.178 138 HA ASP 17 HA ASP 17 -10.568 -1.825 -8.563 139 HB2 ASP 17 HB2 ASP 17 -8.109 -0.193 -7.911 140 HB3 ASP 17 HB1 ASP 17 -8.938 -0.110 -9.462 141 H SER 18 HN SER 18 -7.905 -3.531 -7.444 142 HA SER 18 HA SER 18 -6.324 -3.908 -9.702 143 HB2 SER 18 HB2 SER 18 -6.983 -5.858 -7.489 144 HB3 SER 18 HB1 SER 18 -5.674 -6.064 -8.650 145 HG SER 18 HG SER 18 -4.659 -5.019 -7.087 146 H SER 19 HN SER 19 -9.352 -5.332 -8.795 147 HA SER 19 HA SER 19 -9.329 -7.296 -10.914 148 HB2 SER 19 HB2 SER 19 -10.549 -7.679 -8.772 149 HB3 SER 19 HB1 SER 19 -11.664 -6.391 -9.219 150 HG SER 19 HG SER 19 -12.668 -7.840 -10.349 151 H SER 20 HN SER 20 -10.074 -4.033 -10.646 152 HA SER 20 HA SER 20 -12.044 -3.903 -12.752 153 HB2 SER 20 HB2 SER 20 -11.701 -2.215 -10.818 154 HB3 SER 20 HB1 SER 20 -10.394 -1.566 -11.804 155 HG SER 20 HG SER 20 -11.868 -0.623 -12.954 156 H1 LYS 1 HN LYS 1 -11.753 -3.256 -14.863 157 HA LYS 1 HA LYS 1 -9.106 -3.737 -15.974 158 HB2 LYS 1 HB2 LYS 1 -11.814 -3.218 -17.210 159 HB3 LYS 1 HB1 LYS 1 -10.335 -3.401 -18.152 160 HG2 LYS 1 HG2 LYS 1 -9.982 -5.635 -17.309 161 HG3 LYS 1 HG1 LYS 1 -11.298 -5.458 -16.149 162 HD2 LYS 1 HD2 LYS 1 -12.170 -6.748 -17.975 163 HD3 LYS 1 HD1 LYS 1 -12.852 -5.131 -18.132 164 HE2 LYS 1 HE2 LYS 1 -11.269 -4.554 -19.865 165 HE3 LYS 1 HE1 LYS 1 -10.366 -6.047 -19.607 166 HZ1 LYS 1 HZ1 LYS 1 -12.509 -5.622 -21.313 167 HZ2 LYS 1 HZ2 LYS 1 -13.087 -6.627 -20.070 168 HZ3 LYS 1 HZ3 LYS 1 -11.728 -7.091 -20.982 169 H ASN 2 HN ASN 2 -10.231 -1.220 -14.470 170 HA ASN 2 HA ASN 2 -10.043 0.891 -16.315 171 HB2 ASN 2 HB2 ASN 2 -9.884 2.358 -14.353 172 HB3 ASN 2 HB1 ASN 2 -11.161 1.166 -14.158 173 HD21 ASN 2 HD21 ASN 2 -8.310 -0.525 -13.877 174 HD22 ASN 2 HD22 ASN 2 -8.116 -0.457 -12.193 175 HA PRO 3 HA PRO 3 -5.686 1.487 -16.985 176 HB2 PRO 3 HB2 PRO 3 -6.065 4.370 -16.251 177 HB3 PRO 3 HB1 PRO 3 -5.373 3.665 -17.725 178 HG2 PRO 3 HG2 PRO 3 -7.798 4.734 -17.741 179 HG3 PRO 3 HG1 PRO 3 -7.449 3.256 -18.660 180 HD2 PRO 3 HD2 PRO 3 -8.912 3.556 -16.058 181 HD3 PRO 3 HD1 PRO 3 -9.228 2.466 -17.424 182 H GLU 4 HN GLU 4 -7.165 2.539 -14.022 183 HA GLU 4 HA GLU 4 -4.892 3.317 -12.549 184 HB2 GLU 4 HB2 GLU 4 -7.515 2.108 -11.658 185 HB3 GLU 4 HB1 GLU 4 -6.300 2.743 -10.549 186 HG2 GLU 4 HG2 GLU 4 -6.453 4.948 -11.594 187 HG3 GLU 4 HG1 GLU 4 -7.602 4.331 -12.780 188 H ALA 5 HN ALA 5 -5.866 0.271 -13.703 189 HA ALA 5 HA ALA 5 -4.898 -1.481 -11.737 190 HB1 ALA 5 HB1 ALA 5 -6.240 -2.120 -13.773 191 HB2 ALA 5 HB2 ALA 5 -4.845 -3.155 -13.463 192 HB3 ALA 5 HB3 ALA 5 -4.768 -1.927 -14.726 193 H GLU 6 HN GLU 6 -3.241 0.500 -14.071 194 HA GLU 6 HA GLU 6 -0.768 -0.845 -14.187 195 HB2 GLU 6 HB2 GLU 6 -1.471 2.087 -14.444 196 HB3 GLU 6 HB1 GLU 6 0.144 1.444 -14.752 197 HG2 GLU 6 HG2 GLU 6 -0.743 -0.028 -16.494 198 HG3 GLU 6 HG1 GLU 6 -2.383 0.519 -16.150 199 H GLU 7 HN GLU 7 -2.073 1.498 -11.883 200 HA GLU 7 HA GLU 7 0.314 1.954 -10.448 201 HB2 GLU 7 HB2 GLU 7 -1.685 3.391 -10.224 202 HB3 GLU 7 HB1 GLU 7 -2.542 2.063 -9.440 203 HG2 GLU 7 HG2 GLU 7 -1.637 3.605 -7.754 204 HG3 GLU 7 HG1 GLU 7 -0.837 2.043 -7.630 205 H ILE 8 HN ILE 8 -2.210 -0.490 -10.151 206 HA ILE 8 HA ILE 8 -1.367 -1.633 -7.713 207 HB ILE 8 HB ILE 8 -2.941 -2.662 -10.073 208 HG12 ILE 8 HG12 ILE 8 -4.783 -2.612 -8.497 209 HG13 ILE 8 HG11 ILE 8 -3.687 -2.292 -7.155 210 HG21 ILE 8 HG21 ILE 8 -1.927 -4.683 -9.397 211 HG22 ILE 8 HG22 ILE 8 -3.430 -4.664 -8.481 212 HG23 ILE 8 HG23 ILE 8 -1.917 -4.217 -7.696 213 HD11 ILE 8 HD11 ILE 8 -3.187 -0.099 -7.956 214 HD12 ILE 8 HD12 ILE 8 -4.937 -0.268 -8.085 215 HD13 ILE 8 HD13 ILE 8 -3.934 -0.429 -9.525 216 H THR 9 HN THR 9 -0.463 -2.303 -11.080 217 HA THR 9 HA THR 9 1.149 -4.549 -10.578 218 HB THR 9 HB THR 9 1.408 -2.423 -12.724 219 HG1 THR 9 HG1 THR 9 0.213 -3.909 -13.927 220 HG21 THR 9 HG21 THR 9 2.688 -5.133 -12.357 221 HG22 THR 9 HG22 THR 9 3.467 -3.590 -12.715 222 HG23 THR 9 HG23 THR 9 2.505 -4.402 -13.951 223 H ARG 10 HN ARG 10 1.908 -1.084 -10.634 224 HA ARG 10 HA ARG 10 4.685 -1.349 -10.144 225 HB2 ARG 10 HB2 ARG 10 3.660 0.736 -10.977 226 HB3 ARG 10 HB1 ARG 10 2.847 0.948 -9.425 227 HG2 ARG 10 HG2 ARG 10 4.971 1.125 -8.270 228 HG3 ARG 10 HG1 ARG 10 5.854 0.730 -9.746 229 HD2 ARG 10 HD2 ARG 10 5.911 3.138 -9.416 230 HD3 ARG 10 HD1 ARG 10 4.906 2.771 -10.814 231 HE ARG 10 HE ARG 10 3.301 2.936 -8.460 232 HH11 ARG 10 HH11 ARG 10 2.050 4.805 -8.182 233 HH12 ARG 10 HH12 ARG 10 2.413 6.232 -9.088 234 HH21 ARG 10 HH21 ARG 10 5.108 4.816 -10.742 235 HH22 ARG 10 HH22 ARG 10 4.144 6.241 -10.536 236 H CYS 11 HN CYS 11 1.892 -0.989 -8.007 237 HA CYS 11 HA CYS 11 3.215 -0.700 -5.568 238 HB2 CYS 11 HB2 CYS 11 0.727 -0.501 -6.026 239 HB3 CYS 11 HB1 CYS 11 0.665 -2.261 -5.953 240 H LYS 12 HN LYS 12 2.242 -3.643 -7.288 241 HA LYS 12 HA LYS 12 3.052 -5.493 -5.326 242 HB2 LYS 12 HB2 LYS 12 1.621 -6.065 -7.267 243 HB3 LYS 12 HB1 LYS 12 3.012 -5.858 -8.331 244 HG2 LYS 12 HG2 LYS 12 4.213 -7.644 -7.151 245 HG3 LYS 12 HG1 LYS 12 2.862 -7.831 -6.033 246 HD2 LYS 12 HD2 LYS 12 1.388 -8.444 -7.912 247 HD3 LYS 12 HD1 LYS 12 2.740 -8.265 -9.031 248 HE2 LYS 12 HE2 LYS 12 3.969 -10.037 -7.845 249 HE3 LYS 12 HE1 LYS 12 2.634 -10.210 -6.705 250 HZ1 LYS 12 HZ1 LYS 12 1.483 -11.420 -8.152 251 HZ2 LYS 12 HZ2 LYS 12 2.916 -11.554 -9.055 252 HZ3 LYS 12 HZ3 LYS 12 1.781 -10.348 -9.433 253 H LYS 13 HN LYS 13 4.794 -4.035 -8.048 254 HA LYS 13 HA LYS 13 7.174 -5.520 -7.809 255 HB2 LYS 13 HB2 LYS 13 6.627 -4.088 -9.758 256 HB3 LYS 13 HB1 LYS 13 6.846 -2.658 -8.749 257 HG2 LYS 13 HG2 LYS 13 9.180 -3.241 -8.352 258 HG3 LYS 13 HG1 LYS 13 8.984 -4.751 -9.243 259 HD2 LYS 13 HD2 LYS 13 8.434 -3.464 -11.286 260 HD3 LYS 13 HD1 LYS 13 8.668 -1.961 -10.392 261 HE2 LYS 13 HE2 LYS 13 10.806 -4.087 -10.694 262 HE3 LYS 13 HE1 LYS 13 10.676 -2.674 -11.742 263 HZ1 LYS 13 HZ1 LYS 13 12.093 -1.894 -10.154 264 HZ2 LYS 13 HZ2 LYS 13 11.418 -2.835 -8.910 265 HZ3 LYS 13 HZ3 LYS 13 10.617 -1.439 -9.455 266 H LEU 14 HN LEU 14 6.122 -2.506 -6.268 267 HA LEU 14 HA LEU 14 8.545 -1.931 -4.936 268 HB2 LEU 14 HB2 LEU 14 5.670 -1.239 -4.329 269 HB3 LEU 14 HB1 LEU 14 7.016 -0.620 -3.377 270 HG LEU 14 HG LEU 14 6.817 -0.307 -6.389 271 HD11 LEU 14 HD11 LEU 14 6.061 1.681 -4.223 272 HD12 LEU 14 HD12 LEU 14 4.930 0.842 -5.280 273 HD13 LEU 14 HD13 LEU 14 6.071 1.998 -5.958 274 HD21 LEU 14 HD21 LEU 14 9.059 0.100 -5.871 275 HD22 LEU 14 HD22 LEU 14 8.691 0.688 -4.249 276 HD23 LEU 14 HD23 LEU 14 8.392 1.712 -5.647 277 H LEU 15 HN LEU 15 5.716 -3.828 -3.973 278 HA LEU 15 HA LEU 15 6.586 -4.379 -1.334 279 HB2 LEU 15 HB2 LEU 15 4.692 -5.822 -3.189 280 HB3 LEU 15 HB1 LEU 15 4.943 -6.293 -1.510 281 HG LEU 15 HG LEU 15 4.127 -3.499 -2.367 282 HD11 LEU 15 HD11 LEU 15 2.346 -5.693 -1.271 283 HD12 LEU 15 HD12 LEU 15 2.430 -5.240 -2.974 284 HD13 LEU 15 HD13 LEU 15 1.852 -4.077 -1.781 285 HD21 LEU 15 HD21 LEU 15 4.956 -3.247 -0.191 286 HD22 LEU 15 HD22 LEU 15 4.508 -4.885 0.285 287 HD23 LEU 15 HD23 LEU 15 3.274 -3.635 0.153 288 H ASP 16 HN ASP 16 7.038 -6.036 -4.405 289 HA ASP 16 HA ASP 16 8.273 -8.367 -3.408 290 HB2 ASP 16 HB2 ASP 16 8.439 -6.971 -6.080 291 HB3 ASP 16 HB1 ASP 16 9.245 -8.503 -5.749 292 H ASP 17 HN ASP 17 9.496 -5.191 -4.206 293 HA ASP 17 HA ASP 17 12.257 -5.772 -4.172 294 HB2 ASP 17 HB2 ASP 17 10.732 -3.221 -3.616 295 HB3 ASP 17 HB1 ASP 17 12.490 -3.303 -3.659 296 H SER 18 HN SER 18 9.991 -5.908 -1.702 297 HA SER 18 HA SER 18 11.323 -4.898 0.524 298 HB2 SER 18 HB2 SER 18 9.499 -7.303 0.349 299 HB3 SER 18 HB1 SER 18 9.944 -6.478 1.839 300 HG SER 18 HG SER 18 8.159 -5.425 1.326 301 H SER 19 HN SER 19 11.704 -7.892 -1.176 302 HA SER 19 HA SER 19 13.466 -9.059 0.792 303 HB2 SER 19 HB2 SER 19 12.021 -10.452 -0.695 304 HB3 SER 19 HB1 SER 19 13.009 -9.939 -2.062 305 HG SER 19 HG SER 19 14.276 -11.513 -1.494 306 H SER 20 HN SER 20 13.777 -6.867 -1.733 307 HA SER 20 HA SER 20 16.535 -7.431 -2.396 308 HB2 SER 20 HB2 SER 20 14.757 -6.277 -3.891 309 HB3 SER 20 HB1 SER 20 15.145 -4.823 -2.976 310 HG SER 20 HG SER 20 16.878 -4.675 -4.142 311 H1 LYS 1 HN LYS 1 18.345 -6.229 -1.811 312 HA LYS 1 HA LYS 1 18.170 -4.955 0.806 313 HB2 LYS 1 HB2 LYS 1 20.487 -5.715 -0.978 314 HB3 LYS 1 HB1 LYS 1 20.673 -4.866 0.556 315 HG2 LYS 1 HG2 LYS 1 19.658 -6.687 1.773 316 HG3 LYS 1 HG1 LYS 1 19.210 -7.504 0.277 317 HD2 LYS 1 HD2 LYS 1 21.175 -8.610 1.106 318 HD3 LYS 1 HD1 LYS 1 21.685 -7.631 -0.267 319 HE2 LYS 1 HE2 LYS 1 22.561 -5.915 1.196 320 HE3 LYS 1 HE1 LYS 1 21.875 -6.703 2.614 321 HZ1 LYS 1 HZ1 LYS 1 24.364 -7.115 1.465 322 HZ2 LYS 1 HZ2 LYS 1 23.466 -8.528 1.174 323 HZ3 LYS 1 HZ3 LYS 1 23.671 -7.960 2.762 324 H ASN 2 HN ASN 2 17.416 -3.856 -2.038 325 HA ASN 2 HA ASN 2 19.090 -1.634 -2.440 326 HB2 ASN 2 HB2 ASN 2 17.326 -0.794 -3.924 327 HB3 ASN 2 HB1 ASN 2 17.647 -2.496 -4.216 328 HD21 ASN 2 HD21 ASN 2 16.078 -2.387 -1.287 329 HD22 ASN 2 HD22 ASN 2 14.482 -2.590 -1.824 330 HA PRO 3 HA PRO 3 17.826 1.354 0.605 331 HB2 PRO 3 HB2 PRO 3 17.461 3.331 -1.621 332 HB3 PRO 3 HB1 PRO 3 18.456 3.453 -0.156 333 HG2 PRO 3 HG2 PRO 3 19.567 3.016 -2.525 334 HG3 PRO 3 HG1 PRO 3 20.178 2.208 -1.066 335 HD2 PRO 3 HD2 PRO 3 18.484 1.086 -3.275 336 HD3 PRO 3 HD1 PRO 3 19.802 0.331 -2.354 337 H GLU 4 HN GLU 4 15.846 0.759 -2.190 338 HA GLU 4 HA GLU 4 13.574 2.297 -1.558 339 HB2 GLU 4 HB2 GLU 4 13.852 -0.302 -3.077 340 HB3 GLU 4 HB1 GLU 4 12.355 0.625 -2.987 341 HG2 GLU 4 HG2 GLU 4 13.456 2.563 -3.992 342 HG3 GLU 4 HG1 GLU 4 14.995 1.703 -4.018 343 H ALA 5 HN ALA 5 14.897 -0.449 -0.051 344 HA ALA 5 HA ALA 5 12.631 -1.778 0.931 345 HB1 ALA 5 HB1 ALA 5 15.019 -2.569 1.100 346 HB2 ALA 5 HB2 ALA 5 14.088 -2.728 2.591 347 HB3 ALA 5 HB3 ALA 5 15.244 -1.408 2.410 348 H GLU 6 HN GLU 6 14.102 1.244 1.841 349 HA GLU 6 HA GLU 6 13.076 1.524 4.447 350 HB2 GLU 6 HB2 GLU 6 13.744 3.575 2.326 351 HB3 GLU 6 HB1 GLU 6 13.293 3.998 3.977 352 HG2 GLU 6 HG2 GLU 6 15.175 2.707 4.855 353 HG3 GLU 6 HG1 GLU 6 15.603 2.187 3.226 354 H GLU 7 HN GLU 7 11.671 2.213 1.277 355 HA GLU 7 HA GLU 7 9.367 3.562 2.189 356 HB2 GLU 7 HB2 GLU 7 10.097 3.594 -0.172 357 HB3 GLU 7 HB1 GLU 7 9.702 1.881 -0.310 358 HG2 GLU 7 HG2 GLU 7 7.863 3.248 -1.194 359 HG3 GLU 7 HG1 GLU 7 7.333 2.394 0.251 360 H ILE 8 HN ILE 8 10.080 0.149 1.689 361 HA ILE 8 HA ILE 8 7.469 -0.857 2.036 362 HB ILE 8 HB ILE 8 10.225 -2.026 2.407 363 HG12 ILE 8 HG12 ILE 8 9.633 -3.309 0.448 364 HG13 ILE 8 HG11 ILE 8 7.958 -2.777 0.534 365 HG21 ILE 8 HG21 ILE 8 9.066 -3.268 4.048 366 HG22 ILE 8 HG22 ILE 8 8.912 -4.267 2.604 367 HG23 ILE 8 HG23 ILE 8 7.562 -3.257 3.125 368 HD11 ILE 8 HD11 ILE 8 8.544 -0.544 -0.076 369 HD12 ILE 8 HD12 ILE 8 9.435 -1.592 -1.180 370 HD13 ILE 8 HD13 ILE 8 10.265 -0.853 0.187 371 H THR 9 HN THR 9 10.068 -0.173 4.354 372 HA THR 9 HA THR 9 8.807 -1.233 6.630 373 HB THR 9 HB THR 9 10.724 1.105 6.396 374 HG1 THR 9 HG1 THR 9 12.259 -0.475 6.828 375 HG21 THR 9 HG21 THR 9 9.707 -0.487 8.749 376 HG22 THR 9 HG22 THR 9 9.767 1.265 8.553 377 HG23 THR 9 HG23 THR 9 11.256 0.353 8.799 378 H ARG 10 HN ARG 10 8.691 2.006 5.180 379 HA ARG 10 HA ARG 10 7.030 3.184 7.148 380 HB2 ARG 10 HB2 ARG 10 8.318 4.508 5.512 381 HB3 ARG 10 HB1 ARG 10 7.290 3.894 4.216 382 HG2 ARG 10 HG2 ARG 10 5.332 4.931 5.196 383 HG3 ARG 10 HG1 ARG 10 6.251 5.414 6.622 384 HD2 ARG 10 HD2 ARG 10 6.043 7.328 5.136 385 HD3 ARG 10 HD1 ARG 10 7.721 6.797 5.162 386 HE ARG 10 HE ARG 10 6.315 5.544 3.015 387 HH11 ARG 10 HH11 ARG 10 6.707 6.322 0.922 388 HH12 ARG 10 HH12 ARG 10 7.442 7.871 0.698 389 HH21 ARG 10 HH21 ARG 10 7.683 8.541 4.090 390 HH22 ARG 10 HH22 ARG 10 7.992 9.129 2.489 391 H CYS 11 HN CYS 11 6.343 1.492 4.123 392 HA CYS 11 HA CYS 11 3.585 1.897 3.983 393 HB2 CYS 11 HB2 CYS 11 5.128 0.794 2.272 394 HB3 CYS 11 HB1 CYS 11 4.940 -0.681 3.215 395 H LYS 12 HN LYS 12 5.426 -0.637 5.644 396 HA LYS 12 HA LYS 12 3.228 -2.132 6.572 397 HB2 LYS 12 HB2 LYS 12 5.567 -2.946 6.604 398 HB3 LYS 12 HB1 LYS 12 5.939 -1.785 7.879 399 HG2 LYS 12 HG2 LYS 12 4.284 -2.836 9.354 400 HG3 LYS 12 HG1 LYS 12 3.842 -3.968 8.076 401 HD2 LYS 12 HD2 LYS 12 6.147 -4.852 8.066 402 HD3 LYS 12 HD1 LYS 12 6.580 -3.731 9.357 403 HE2 LYS 12 HE2 LYS 12 4.899 -4.764 10.831 404 HE3 LYS 12 HE1 LYS 12 4.445 -5.877 9.541 405 HZ1 LYS 12 HZ1 LYS 12 6.193 -7.163 9.957 406 HZ2 LYS 12 HZ2 LYS 12 6.375 -6.300 11.411 407 HZ3 LYS 12 HZ3 LYS 12 7.263 -5.848 10.035 408 H LYS 13 HN LYS 13 4.984 0.599 7.997 409 HA LYS 13 HA LYS 13 3.669 0.630 10.484 410 HB2 LYS 13 HB2 LYS 13 5.719 1.929 9.986 411 HB3 LYS 13 HB1 LYS 13 4.776 2.983 8.933 412 HG2 LYS 13 HG2 LYS 13 3.380 3.680 10.805 413 HG3 LYS 13 HG1 LYS 13 4.207 2.550 11.879 414 HD2 LYS 13 HD2 LYS 13 6.336 3.756 11.494 415 HD3 LYS 13 HD1 LYS 13 5.488 4.901 10.454 416 HE2 LYS 13 HE2 LYS 13 4.755 4.396 13.350 417 HE3 LYS 13 HE1 LYS 13 5.801 5.712 12.819 418 HZ1 LYS 13 HZ1 LYS 13 3.794 6.752 12.788 419 HZ2 LYS 13 HZ2 LYS 13 2.925 5.339 12.422 420 HZ3 LYS 13 HZ3 LYS 13 3.798 6.143 11.206 421 H LEU 14 HN LEU 14 2.872 2.169 7.392 422 HA LEU 14 HA LEU 14 0.649 3.656 8.301 423 HB2 LEU 14 HB2 LEU 14 1.373 2.520 5.598 424 HB3 LEU 14 HB1 LEU 14 -0.031 3.553 5.851 425 HG LEU 14 HG LEU 14 2.790 4.336 6.648 426 HD11 LEU 14 HD11 LEU 14 1.250 5.062 4.136 427 HD12 LEU 14 HD12 LEU 14 2.667 4.019 4.211 428 HD13 LEU 14 HD13 LEU 14 2.813 5.728 4.610 429 HD21 LEU 14 HD21 LEU 14 1.405 5.783 7.845 430 HD22 LEU 14 HD22 LEU 14 0.108 5.708 6.653 431 HD23 LEU 14 HD23 LEU 14 1.542 6.679 6.337 432 H LEU 15 HN LEU 15 0.922 0.373 7.004 433 HA LEU 15 HA LEU 15 -1.856 -0.186 6.956 434 HB2 LEU 15 HB2 LEU 15 0.569 -1.978 7.136 435 HB3 LEU 15 HB1 LEU 15 -1.073 -2.589 6.946 436 HG LEU 15 HG LEU 15 0.200 -0.574 5.068 437 HD11 LEU 15 HD11 LEU 15 -0.126 -3.559 4.656 438 HD12 LEU 15 HD12 LEU 15 1.394 -2.766 5.075 439 HD13 LEU 15 HD13 LEU 15 0.610 -2.409 3.536 440 HD21 LEU 15 HD21 LEU 15 -2.102 -0.382 4.688 441 HD22 LEU 15 HD22 LEU 15 -2.423 -2.059 5.126 442 HD23 LEU 15 HD23 LEU 15 -1.700 -1.676 3.566 443 H ASP 16 HN ASP 16 0.636 -0.610 9.407 444 HA ASP 16 HA ASP 16 -0.908 -2.047 11.279 445 HB2 ASP 16 HB2 ASP 16 1.498 -0.251 11.586 446 HB3 ASP 16 HB1 ASP 16 0.772 -1.110 12.943 447 H ASP 17 HN ASP 17 -0.568 1.370 10.612 448 HA ASP 17 HA ASP 17 -1.832 2.381 12.924 449 HB2 ASP 17 HB2 ASP 17 -1.528 3.507 10.135 450 HB3 ASP 17 HB1 ASP 17 -2.279 4.401 11.455 451 H SER 18 HN SER 18 -3.069 0.503 10.441 452 HA SER 18 HA SER 18 -5.599 1.562 9.966 453 HB2 SER 18 HB2 SER 18 -4.722 -1.326 10.093 454 HB3 SER 18 HB1 SER 18 -6.258 -0.780 9.425 455 HG SER 18 HG SER 18 -5.015 -0.747 7.682 456 H SER 19 HN SER 19 -4.384 -0.300 12.624 457 HA SER 19 HA SER 19 -6.977 -0.716 13.827 458 HB2 SER 19 HB2 SER 19 -5.083 -2.312 14.158 459 HB3 SER 19 HB1 SER 19 -4.255 -1.067 15.091 460 HG SER 19 HG SER 19 -5.410 -1.734 16.707 461 H SER 20 HN SER 20 -4.719 1.769 13.738 462 HA SER 20 HA SER 20 -5.338 2.948 16.303 463 HB2 SER 20 HB2 SER 20 -3.168 3.243 14.913 464 HB3 SER 20 HB1 SER 20 -4.087 4.441 14.006 465 HG SER 20 HG SER 20 -3.809 5.749 15.618 466 H2 ZBR 100 HA3 TBS 100 -1.499 1.287 -2.123 467 H4 ZBR 100 HC3 TBS 100 0.643 1.819 1.599 468 H6 ZBR 100 HB3 TBS 100 2.723 0.370 -1.914 469 H7 ZBR 100 HB11 TBS 100 1.257 1.029 -4.185 470 H7A ZBR 100 HB12 TBS 100 -0.413 0.481 -4.024 471 H8 ZBR 100 HA11 TBS 100 -2.200 2.958 -0.058 472 H8A ZBR 100 HA12 TBS 100 -1.625 2.360 1.501 473 H9 ZBR 100 HC11 TBS 100 3.382 1.994 1.054 474 H9A ZBR 100 HC12 TBS 100 3.899 0.608 0.088 Start of MODEL 17 1 H1 LYS 1 HN LYS 1 -6.357 6.455 16.385 2 HA LYS 1 HA LYS 1 -8.452 6.772 14.393 3 HB2 LYS 1 HB2 LYS 1 -7.798 8.305 16.919 4 HB3 LYS 1 HB1 LYS 1 -9.182 8.648 15.881 5 HG2 LYS 1 HG2 LYS 1 -10.009 6.346 16.217 6 HG3 LYS 1 HG1 LYS 1 -8.627 6.005 17.259 7 HD2 LYS 1 HD2 LYS 1 -9.349 7.784 18.808 8 HD3 LYS 1 HD1 LYS 1 -10.733 8.127 17.769 9 HE2 LYS 1 HE2 LYS 1 -11.566 5.832 18.108 10 HE3 LYS 1 HE1 LYS 1 -10.179 5.476 19.138 11 HZ1 LYS 1 HZ1 LYS 1 -11.686 7.846 19.852 12 HZ2 LYS 1 HZ2 LYS 1 -11.036 6.627 20.842 13 HZ3 LYS 1 HZ3 LYS 1 -12.518 6.381 20.049 14 H ASN 2 HN ASN 2 -5.374 7.428 14.203 15 HA ASN 2 HA ASN 2 -5.222 10.180 13.719 16 HB2 ASN 2 HB2 ASN 2 -3.098 9.704 12.593 17 HB3 ASN 2 HB1 ASN 2 -3.227 8.789 14.096 18 HD21 ASN 2 HD21 ASN 2 -5.383 7.287 12.125 19 HD22 ASN 2 HD22 ASN 2 -4.374 6.113 11.431 20 HA PRO 3 HA PRO 3 -7.119 10.806 9.756 21 HB2 PRO 3 HB2 PRO 3 -4.629 12.247 8.912 22 HB3 PRO 3 HB1 PRO 3 -6.312 12.814 8.920 23 HG2 PRO 3 HG2 PRO 3 -4.581 13.666 10.742 24 HG3 PRO 3 HG1 PRO 3 -6.270 13.331 11.167 25 HD2 PRO 3 HD2 PRO 3 -3.818 11.697 11.717 26 HD3 PRO 3 HD1 PRO 3 -5.255 11.978 12.724 27 H GLU 4 HN GLU 4 -3.861 9.543 9.910 28 HA GLU 4 HA GLU 4 -3.488 8.831 7.211 29 HB2 GLU 4 HB2 GLU 4 -2.419 7.590 9.754 30 HB3 GLU 4 HB1 GLU 4 -1.866 7.152 8.138 31 HG2 GLU 4 HG2 GLU 4 -1.188 9.478 7.723 32 HG3 GLU 4 HG1 GLU 4 -1.773 9.943 9.319 33 H ALA 5 HN ALA 5 -5.520 7.518 9.652 34 HA ALA 5 HA ALA 5 -5.725 4.836 8.870 35 HB1 ALA 5 HB1 ALA 5 -7.773 4.783 10.090 36 HB2 ALA 5 HB2 ALA 5 -8.032 6.513 9.868 37 HB3 ALA 5 HB3 ALA 5 -6.741 5.943 10.926 38 H GLU 6 HN GLU 6 -7.144 7.751 7.525 39 HA GLU 6 HA GLU 6 -9.107 6.564 5.888 40 HB2 GLU 6 HB2 GLU 6 -7.525 9.123 5.593 41 HB3 GLU 6 HB1 GLU 6 -8.843 8.668 4.512 42 HG2 GLU 6 HG2 GLU 6 -10.398 8.572 6.395 43 HG3 GLU 6 HG1 GLU 6 -9.090 8.926 7.523 44 H GLU 7 HN GLU 7 -5.652 7.111 5.438 45 HA GLU 7 HA GLU 7 -5.519 6.505 2.689 46 HB2 GLU 7 HB2 GLU 7 -3.656 7.556 3.932 47 HB3 GLU 7 HB1 GLU 7 -3.420 6.059 4.831 48 HG2 GLU 7 HG2 GLU 7 -1.824 6.199 2.966 49 HG3 GLU 7 HG1 GLU 7 -2.945 4.865 2.705 50 H ILE 8 HN ILE 8 -5.350 4.481 5.582 51 HA ILE 8 HA ILE 8 -4.675 2.056 4.284 52 HB ILE 8 HB ILE 8 -6.063 2.711 6.880 53 HG12 ILE 8 HG12 ILE 8 -4.013 1.674 7.810 54 HG13 ILE 8 HG11 ILE 8 -3.443 1.344 6.175 55 HG21 ILE 8 HG21 ILE 8 -7.154 0.679 6.370 56 HG22 ILE 8 HG22 ILE 8 -5.768 0.167 7.333 57 HG23 ILE 8 HG23 ILE 8 -5.732 0.008 5.575 58 HD11 ILE 8 HD11 ILE 8 -3.209 3.659 5.683 59 HD12 ILE 8 HD12 ILE 8 -2.543 3.465 7.307 60 HD13 ILE 8 HD13 ILE 8 -4.163 4.121 7.090 61 H THR 9 HN THR 9 -7.813 3.530 5.022 62 HA THR 9 HA THR 9 -9.435 1.416 4.119 63 HB THR 9 HB THR 9 -9.978 4.394 4.134 64 HG1 THR 9 HG1 THR 9 -11.032 2.559 5.952 65 HG21 THR 9 HG21 THR 9 -11.587 3.409 2.688 66 HG22 THR 9 HG22 THR 9 -12.389 3.537 4.254 67 HG23 THR 9 HG23 THR 9 -11.750 1.984 3.714 68 H ARG 10 HN ARG 10 -8.063 4.207 2.441 69 HA ARG 10 HA ARG 10 -9.297 3.814 -0.058 70 HB2 ARG 10 HB2 ARG 10 -8.101 5.888 0.560 71 HB3 ARG 10 HB1 ARG 10 -6.572 5.009 0.510 72 HG2 ARG 10 HG2 ARG 10 -6.841 4.538 -1.843 73 HG3 ARG 10 HG1 ARG 10 -8.474 5.204 -1.842 74 HD2 ARG 10 HD2 ARG 10 -6.966 6.870 -2.755 75 HD3 ARG 10 HD1 ARG 10 -7.515 7.414 -1.173 76 HE ARG 10 HE ARG 10 -5.089 5.981 -0.861 77 HH11 ARG 10 HH11 ARG 10 -3.180 7.162 -0.567 78 HH12 ARG 10 HH12 ARG 10 -3.111 8.828 -1.026 79 HH21 ARG 10 HH21 ARG 10 -6.380 8.920 -2.170 80 HH22 ARG 10 HH22 ARG 10 -4.920 9.822 -1.936 81 H CYS 11 HN CYS 11 -6.431 2.410 1.400 82 HA CYS 11 HA CYS 11 -5.205 1.249 -0.791 83 HB2 CYS 11 HB2 CYS 11 -4.507 1.209 1.686 84 HB3 CYS 11 HB1 CYS 11 -5.559 -0.199 1.832 85 H LYS 12 HN LYS 12 -7.974 0.075 1.101 86 HA LYS 12 HA LYS 12 -8.219 -2.448 -0.134 87 HB2 LYS 12 HB2 LYS 12 -10.277 -0.629 1.137 88 HB3 LYS 12 HB1 LYS 12 -10.629 -2.276 0.612 89 HG2 LYS 12 HG2 LYS 12 -8.849 -3.129 2.099 90 HG3 LYS 12 HG1 LYS 12 -8.506 -1.482 2.629 91 HD2 LYS 12 HD2 LYS 12 -10.802 -1.274 3.500 92 HD3 LYS 12 HD1 LYS 12 -11.158 -2.917 2.964 93 HE2 LYS 12 HE2 LYS 12 -9.388 -3.788 4.447 94 HE3 LYS 12 HE1 LYS 12 -9.030 -2.147 4.984 95 HZ1 LYS 12 HZ1 LYS 12 -11.796 -2.656 5.213 96 HZ2 LYS 12 HZ2 LYS 12 -10.682 -2.252 6.431 97 HZ3 LYS 12 HZ3 LYS 12 -10.932 -3.879 6.010 98 H LYS 13 HN LYS 13 -9.463 0.728 -1.033 99 HA LYS 13 HA LYS 13 -11.173 -0.092 -3.115 100 HB2 LYS 13 HB2 LYS 13 -11.147 2.194 -2.129 101 HB3 LYS 13 HB1 LYS 13 -9.600 2.489 -2.925 102 HG2 LYS 13 HG2 LYS 13 -10.629 2.111 -5.119 103 HG3 LYS 13 HG1 LYS 13 -12.176 1.751 -4.350 104 HD2 LYS 13 HD2 LYS 13 -12.220 4.031 -3.389 105 HD3 LYS 13 HD1 LYS 13 -10.688 4.390 -4.186 106 HE2 LYS 13 HE2 LYS 13 -11.724 3.986 -6.384 107 HE3 LYS 13 HE1 LYS 13 -13.256 3.609 -5.596 108 HZ1 LYS 13 HZ1 LYS 13 -13.666 5.761 -5.156 109 HZ2 LYS 13 HZ2 LYS 13 -12.605 6.039 -6.454 110 HZ3 LYS 13 HZ3 LYS 13 -12.040 6.137 -4.854 111 H LEU 14 HN LEU 14 -7.707 0.631 -3.044 112 HA LEU 14 HA LEU 14 -7.253 0.580 -5.828 113 HB2 LEU 14 HB2 LEU 14 -5.460 -0.076 -3.485 114 HB3 LEU 14 HB1 LEU 14 -4.880 0.016 -5.149 115 HG LEU 14 HG LEU 14 -6.330 2.269 -3.726 116 HD11 LEU 14 HD11 LEU 14 -4.038 1.627 -2.779 117 HD12 LEU 14 HD12 LEU 14 -4.219 3.296 -3.317 118 HD13 LEU 14 HD13 LEU 14 -3.372 2.131 -4.332 119 HD21 LEU 14 HD21 LEU 14 -6.595 2.754 -5.989 120 HD22 LEU 14 HD22 LEU 14 -5.119 1.912 -6.458 121 HD23 LEU 14 HD23 LEU 14 -5.027 3.505 -5.703 122 H LEU 15 HN LEU 15 -7.149 -2.001 -3.398 123 HA LEU 15 HA LEU 15 -6.295 -4.045 -5.167 124 HB2 LEU 15 HB2 LEU 15 -7.703 -3.995 -2.517 125 HB3 LEU 15 HB1 LEU 15 -7.526 -5.525 -3.377 126 HG LEU 15 HG LEU 15 -5.665 -5.016 -1.738 127 HD11 LEU 15 HD11 LEU 15 -5.509 -6.319 -4.107 128 HD12 LEU 15 HD12 LEU 15 -4.125 -6.112 -3.036 129 HD13 LEU 15 HD13 LEU 15 -4.336 -5.034 -4.413 130 HD21 LEU 15 HD21 LEU 15 -4.119 -3.258 -2.152 131 HD22 LEU 15 HD22 LEU 15 -5.704 -2.534 -2.381 132 HD23 LEU 15 HD23 LEU 15 -4.745 -2.986 -3.780 133 H ASP 16 HN ASP 16 -9.511 -2.925 -4.219 134 HA ASP 16 HA ASP 16 -10.953 -4.884 -5.676 135 HB2 ASP 16 HB2 ASP 16 -11.676 -2.127 -4.684 136 HB3 ASP 16 HB1 ASP 16 -12.825 -3.171 -5.520 137 H ASP 17 HN ASP 17 -9.742 -1.671 -6.482 138 HA ASP 17 HA ASP 17 -10.971 -1.501 -9.039 139 HB2 ASP 17 HB2 ASP 17 -8.609 -0.069 -7.817 140 HB3 ASP 17 HB1 ASP 17 -9.220 0.288 -9.431 141 H SER 18 HN SER 18 -8.436 -3.391 -7.873 142 HA SER 18 HA SER 18 -6.652 -3.461 -10.019 143 HB2 SER 18 HB2 SER 18 -5.927 -5.598 -9.163 144 HB3 SER 18 HB1 SER 18 -6.344 -4.582 -7.784 145 HG SER 18 HG SER 18 -7.282 -6.652 -7.611 146 H SER 19 HN SER 19 -9.816 -4.776 -9.676 147 HA SER 19 HA SER 19 -9.568 -6.511 -12.012 148 HB2 SER 19 HB2 SER 19 -11.843 -7.159 -11.577 149 HB3 SER 19 HB1 SER 19 -10.991 -7.117 -10.035 150 HG SER 19 HG SER 19 -11.820 -4.920 -9.848 151 H SER 20 HN SER 20 -10.263 -3.291 -11.391 152 HA SER 20 HA SER 20 -12.021 -2.843 -13.653 153 HB2 SER 20 HB2 SER 20 -12.228 -1.406 -11.689 154 HB3 SER 20 HB1 SER 20 -10.557 -0.882 -11.870 155 HG SER 20 HG SER 20 -11.085 0.189 -13.697 156 H1 LYS 1 HN LYS 1 -11.501 -1.705 -15.548 157 HA LYS 1 HA LYS 1 -8.785 -2.159 -16.480 158 HB2 LYS 1 HB2 LYS 1 -11.246 -1.062 -17.858 159 HB3 LYS 1 HB1 LYS 1 -9.694 -1.326 -18.653 160 HG2 LYS 1 HG2 LYS 1 -9.792 -3.720 -18.047 161 HG3 LYS 1 HG1 LYS 1 -11.351 -3.454 -17.267 162 HD2 LYS 1 HD2 LYS 1 -12.311 -2.714 -19.410 163 HD3 LYS 1 HD1 LYS 1 -10.755 -2.969 -20.200 164 HE2 LYS 1 HE2 LYS 1 -10.842 -5.361 -19.610 165 HE3 LYS 1 HE1 LYS 1 -12.397 -5.111 -18.818 166 HZ1 LYS 1 HZ1 LYS 1 -12.218 -4.137 -21.539 167 HZ2 LYS 1 HZ2 LYS 1 -13.470 -4.988 -20.767 168 HZ3 LYS 1 HZ3 LYS 1 -12.120 -5.822 -21.375 169 H ASN 2 HN ASN 2 -9.897 0.068 -14.547 170 HA ASN 2 HA ASN 2 -9.365 2.505 -15.820 171 HB2 ASN 2 HB2 ASN 2 -9.280 3.477 -13.569 172 HB3 ASN 2 HB1 ASN 2 -10.643 2.367 -13.725 173 HD21 ASN 2 HD21 ASN 2 -8.023 0.371 -13.679 174 HD22 ASN 2 HD22 ASN 2 -7.918 0.074 -12.012 175 HA PRO 3 HA PRO 3 -4.936 2.795 -16.021 176 HB2 PRO 3 HB2 PRO 3 -5.173 5.486 -14.722 177 HB3 PRO 3 HB1 PRO 3 -4.408 5.041 -16.262 178 HG2 PRO 3 HG2 PRO 3 -6.742 6.294 -16.222 179 HG3 PRO 3 HG1 PRO 3 -6.414 5.014 -17.404 180 HD2 PRO 3 HD2 PRO 3 -8.067 4.907 -14.905 181 HD3 PRO 3 HD1 PRO 3 -8.343 4.157 -16.490 182 H GLU 4 HN GLU 4 -6.567 3.487 -13.008 183 HA GLU 4 HA GLU 4 -4.348 3.652 -11.285 184 HB2 GLU 4 HB2 GLU 4 -7.180 2.717 -10.786 185 HB3 GLU 4 HB1 GLU 4 -5.989 2.966 -9.509 186 HG2 GLU 4 HG2 GLU 4 -5.741 5.316 -10.173 187 HG3 GLU 4 HG1 GLU 4 -6.891 5.078 -11.488 188 H ALA 5 HN ALA 5 -5.743 0.988 -12.947 189 HA ALA 5 HA ALA 5 -5.120 -1.154 -11.250 190 HB1 ALA 5 HB1 ALA 5 -5.320 -2.550 -13.175 191 HB2 ALA 5 HB2 ALA 5 -4.908 -1.224 -14.262 192 HB3 ALA 5 HB3 ALA 5 -6.455 -1.220 -13.415 193 H GLU 6 HN GLU 6 -3.112 0.738 -13.418 194 HA GLU 6 HA GLU 6 -0.864 -0.959 -13.526 195 HB2 GLU 6 HB2 GLU 6 -1.116 2.049 -13.719 196 HB3 GLU 6 HB1 GLU 6 0.390 1.178 -14.008 197 HG2 GLU 6 HG2 GLU 6 -0.661 -0.107 -15.803 198 HG3 GLU 6 HG1 GLU 6 -2.208 0.676 -15.487 199 H GLU 7 HN GLU 7 -1.925 1.428 -11.157 200 HA GLU 7 HA GLU 7 0.454 1.558 -9.653 201 HB2 GLU 7 HB2 GLU 7 -1.396 3.174 -9.383 202 HB3 GLU 7 HB1 GLU 7 -2.408 1.896 -8.708 203 HG2 GLU 7 HG2 GLU 7 -1.402 3.246 -6.910 204 HG3 GLU 7 HG1 GLU 7 -0.786 1.595 -6.854 205 H ILE 8 HN ILE 8 -2.331 -0.614 -9.491 206 HA ILE 8 HA ILE 8 -1.609 -1.962 -7.120 207 HB ILE 8 HB ILE 8 -3.300 -2.693 -9.509 208 HG12 ILE 8 HG12 ILE 8 -5.093 -2.625 -7.801 209 HG13 ILE 8 HG11 ILE 8 -3.893 -2.263 -6.561 210 HG21 ILE 8 HG21 ILE 8 -2.477 -4.836 -8.926 211 HG22 ILE 8 HG22 ILE 8 -3.997 -4.710 -8.038 212 HG23 ILE 8 HG23 ILE 8 -2.462 -4.459 -7.207 213 HD11 ILE 8 HD11 ILE 8 -3.412 -0.139 -7.494 214 HD12 ILE 8 HD12 ILE 8 -5.169 -0.272 -7.577 215 HD13 ILE 8 HD13 ILE 8 -4.195 -0.548 -9.019 216 H THR 9 HN THR 9 -0.834 -2.582 -10.525 217 HA THR 9 HA THR 9 0.554 -5.001 -10.145 218 HB THR 9 HB THR 9 0.962 -2.861 -12.249 219 HG1 THR 9 HG1 THR 9 -0.350 -5.284 -12.669 220 HG21 THR 9 HG21 THR 9 2.884 -4.262 -12.292 221 HG22 THR 9 HG22 THR 9 1.822 -4.889 -13.552 222 HG23 THR 9 HG23 THR 9 1.926 -5.712 -11.996 223 H ARG 10 HN ARG 10 1.639 -1.638 -10.098 224 HA ARG 10 HA ARG 10 4.398 -2.116 -9.804 225 HB2 ARG 10 HB2 ARG 10 3.449 0.099 -10.363 226 HB3 ARG 10 HB1 ARG 10 2.781 0.213 -8.734 227 HG2 ARG 10 HG2 ARG 10 4.987 0.164 -7.753 228 HG3 ARG 10 HG1 ARG 10 5.731 -0.176 -9.317 229 HD2 ARG 10 HD2 ARG 10 6.006 2.184 -8.837 230 HD3 ARG 10 HD1 ARG 10 4.848 2.010 -10.149 231 HE ARG 10 HE ARG 10 3.440 2.089 -7.693 232 HH11 ARG 10 HH11 ARG 10 2.430 4.025 -7.097 233 HH12 ARG 10 HH12 ARG 10 2.922 5.518 -7.820 234 HH21 ARG 10 HH21 ARG 10 5.359 4.057 -9.805 235 HH22 ARG 10 HH22 ARG 10 4.582 5.537 -9.352 236 H CYS 11 HN CYS 11 1.761 -2.013 -7.487 237 HA CYS 11 HA CYS 11 3.133 -1.864 -5.093 238 HB2 CYS 11 HB2 CYS 11 0.604 -2.011 -5.512 239 HB3 CYS 11 HB1 CYS 11 0.831 -3.758 -5.539 240 H LYS 12 HN LYS 12 2.558 -4.700 -7.159 241 HA LYS 12 HA LYS 12 3.623 -6.646 -5.412 242 HB2 LYS 12 HB2 LYS 12 3.477 -6.522 -8.433 243 HB3 LYS 12 HB1 LYS 12 4.004 -7.952 -7.545 244 HG2 LYS 12 HG2 LYS 12 1.849 -8.003 -6.342 245 HG3 LYS 12 HG1 LYS 12 1.320 -6.573 -7.231 246 HD2 LYS 12 HD2 LYS 12 1.552 -7.811 -9.358 247 HD3 LYS 12 HD1 LYS 12 2.065 -9.242 -8.463 248 HE2 LYS 12 HE2 LYS 12 -0.093 -9.287 -7.275 249 HE3 LYS 12 HE1 LYS 12 -0.610 -7.847 -8.154 250 HZ1 LYS 12 HZ1 LYS 12 0.332 -9.798 -9.964 251 HZ2 LYS 12 HZ2 LYS 12 -1.211 -9.095 -9.861 252 HZ3 LYS 12 HZ3 LYS 12 -0.847 -10.487 -8.958 253 H LYS 13 HN LYS 13 5.161 -4.531 -7.782 254 HA LYS 13 HA LYS 13 7.727 -5.690 -7.744 255 HB2 LYS 13 HB2 LYS 13 6.969 -4.006 -9.411 256 HB3 LYS 13 HB1 LYS 13 7.023 -2.774 -8.150 257 HG2 LYS 13 HG2 LYS 13 9.416 -3.169 -7.822 258 HG3 LYS 13 HG1 LYS 13 9.390 -4.460 -9.025 259 HD2 LYS 13 HD2 LYS 13 8.675 -2.826 -10.745 260 HD3 LYS 13 HD1 LYS 13 8.745 -1.541 -9.539 261 HE2 LYS 13 HE2 LYS 13 11.151 -1.982 -9.203 262 HE3 LYS 13 HE1 LYS 13 11.081 -3.272 -10.402 263 HZ1 LYS 13 HZ1 LYS 13 10.992 -1.821 -12.097 264 HZ2 LYS 13 HZ2 LYS 13 11.718 -0.760 -10.986 265 HZ3 LYS 13 HZ3 LYS 13 10.041 -0.699 -11.251 266 H LEU 14 HN LEU 14 6.203 -3.252 -5.678 267 HA LEU 14 HA LEU 14 8.505 -2.485 -4.238 268 HB2 LEU 14 HB2 LEU 14 5.580 -2.538 -3.480 269 HB3 LEU 14 HB1 LEU 14 6.827 -1.815 -2.463 270 HG LEU 14 HG LEU 14 6.325 -1.031 -5.352 271 HD11 LEU 14 HD11 LEU 14 4.429 -0.527 -3.701 272 HD12 LEU 14 HD12 LEU 14 5.093 0.854 -4.571 273 HD13 LEU 14 HD13 LEU 14 5.559 0.561 -2.898 274 HD21 LEU 14 HD21 LEU 14 8.505 -0.319 -4.915 275 HD22 LEU 14 HD22 LEU 14 8.208 -0.103 -3.190 276 HD23 LEU 14 HD23 LEU 14 7.600 1.083 -4.348 277 H LEU 15 HN LEU 15 6.114 -5.033 -3.632 278 HA LEU 15 HA LEU 15 7.213 -5.891 -1.162 279 HB2 LEU 15 HB2 LEU 15 5.438 -7.142 -3.235 280 HB3 LEU 15 HB1 LEU 15 6.043 -8.125 -1.901 281 HG LEU 15 HG LEU 15 3.795 -7.038 -1.476 282 HD11 LEU 15 HD11 LEU 15 5.787 -7.540 0.294 283 HD12 LEU 15 HD12 LEU 15 4.233 -6.856 0.766 284 HD13 LEU 15 HD13 LEU 15 5.622 -5.797 0.535 285 HD21 LEU 15 HD21 LEU 15 3.608 -4.685 -1.202 286 HD22 LEU 15 HD22 LEU 15 4.549 -4.896 -2.672 287 HD23 LEU 15 HD23 LEU 15 5.359 -4.468 -1.173 288 H ASP 16 HN ASP 16 7.816 -6.893 -4.499 289 HA ASP 16 HA ASP 16 9.632 -8.977 -3.860 290 HB2 ASP 16 HB2 ASP 16 9.221 -7.313 -6.345 291 HB3 ASP 16 HB1 ASP 16 10.401 -8.620 -6.255 292 H ASP 17 HN ASP 17 10.020 -5.532 -4.505 293 HA ASP 17 HA ASP 17 12.863 -5.524 -4.506 294 HB2 ASP 17 HB2 ASP 17 10.822 -3.337 -4.082 295 HB3 ASP 17 HB1 ASP 17 12.559 -3.041 -4.102 296 H SER 18 HN SER 18 10.604 -5.962 -2.047 297 HA SER 18 HA SER 18 11.754 -4.632 0.123 298 HB2 SER 18 HB2 SER 18 10.543 -6.173 1.531 299 HB3 SER 18 HB1 SER 18 9.544 -5.846 0.118 300 HG SER 18 HG SER 18 9.670 -8.074 0.548 301 H SER 19 HN SER 19 12.732 -7.478 -1.555 302 HA SER 19 HA SER 19 14.618 -8.298 0.517 303 HB2 SER 19 HB2 SER 19 15.170 -10.136 -0.935 304 HB3 SER 19 HB1 SER 19 13.417 -9.955 -0.932 305 HG SER 19 HG SER 19 13.771 -8.601 -2.851 306 H SER 20 HN SER 20 14.568 -6.164 -2.069 307 HA SER 20 HA SER 20 17.393 -6.288 -2.708 308 HB2 SER 20 HB2 SER 20 15.844 -5.632 -4.461 309 HB3 SER 20 HB1 SER 20 15.259 -4.286 -3.488 310 HG SER 20 HG SER 20 17.179 -3.272 -3.729 311 H1 LYS 1 HN LYS 1 18.962 -4.764 -2.181 312 HA LYS 1 HA LYS 1 18.579 -3.460 0.374 313 HB2 LYS 1 HB2 LYS 1 20.948 -3.600 -1.502 314 HB3 LYS 1 HB1 LYS 1 20.979 -2.808 0.074 315 HG2 LYS 1 HG2 LYS 1 20.350 -4.934 1.159 316 HG3 LYS 1 HG1 LYS 1 20.321 -5.727 -0.417 317 HD2 LYS 1 HD2 LYS 1 22.709 -5.199 -0.734 318 HD3 LYS 1 HD1 LYS 1 22.743 -4.403 0.840 319 HE2 LYS 1 HE2 LYS 1 22.124 -6.520 1.935 320 HE3 LYS 1 HE1 LYS 1 22.071 -7.322 0.365 321 HZ1 LYS 1 HZ1 LYS 1 24.515 -5.880 0.934 322 HZ2 LYS 1 HZ2 LYS 1 24.293 -7.415 0.241 323 HZ3 LYS 1 HZ3 LYS 1 24.236 -7.225 1.928 324 H ASN 2 HN ASN 2 17.459 -2.625 -2.451 325 HA ASN 2 HA ASN 2 18.510 -0.081 -2.958 326 HB2 ASN 2 HB2 ASN 2 16.510 0.298 -4.324 327 HB3 ASN 2 HB1 ASN 2 17.173 -1.310 -4.615 328 HD21 ASN 2 HD21 ASN 2 15.888 -1.577 -1.605 329 HD22 ASN 2 HD22 ASN 2 14.320 -2.088 -2.001 330 HA PRO 3 HA PRO 3 16.788 2.560 0.170 331 HB2 PRO 3 HB2 PRO 3 15.871 4.381 -2.027 332 HB3 PRO 3 HB1 PRO 3 16.908 4.735 -0.629 333 HG2 PRO 3 HG2 PRO 3 17.935 4.511 -3.066 334 HG3 PRO 3 HG1 PRO 3 18.798 3.888 -1.647 335 HD2 PRO 3 HD2 PRO 3 17.262 2.386 -3.737 336 HD3 PRO 3 HD1 PRO 3 18.766 1.958 -2.895 337 H GLU 4 HN GLU 4 14.819 1.641 -2.569 338 HA GLU 4 HA GLU 4 12.318 2.612 -1.716 339 HB2 GLU 4 HB2 GLU 4 13.038 0.219 -3.421 340 HB3 GLU 4 HB1 GLU 4 11.392 0.813 -3.205 341 HG2 GLU 4 HG2 GLU 4 12.038 2.997 -4.118 342 HG3 GLU 4 HG1 GLU 4 13.704 2.447 -4.289 343 H ALA 5 HN ALA 5 14.268 0.032 -0.565 344 HA ALA 5 HA ALA 5 12.358 -1.742 0.462 345 HB1 ALA 5 HB1 ALA 5 14.101 -2.588 1.858 346 HB2 ALA 5 HB2 ALA 5 14.976 -1.058 1.808 347 HB3 ALA 5 HB3 ALA 5 14.878 -2.065 0.364 348 H GLU 6 HN GLU 6 13.551 1.333 1.666 349 HA GLU 6 HA GLU 6 12.573 1.177 4.306 350 HB2 GLU 6 HB2 GLU 6 13.030 3.539 2.475 351 HB3 GLU 6 HB1 GLU 6 12.588 3.697 4.174 352 HG2 GLU 6 HG2 GLU 6 14.585 2.453 4.842 353 HG3 GLU 6 HG1 GLU 6 15.014 2.195 3.151 354 H GLU 7 HN GLU 7 11.048 2.098 1.259 355 HA GLU 7 HA GLU 7 8.668 3.167 2.323 356 HB2 GLU 7 HB2 GLU 7 9.322 3.449 -0.040 357 HB3 GLU 7 HB1 GLU 7 9.092 1.721 -0.310 358 HG2 GLU 7 HG2 GLU 7 7.111 2.976 -1.051 359 HG3 GLU 7 HG1 GLU 7 6.698 1.952 0.323 360 H ILE 8 HN ILE 8 9.612 -0.128 1.456 361 HA ILE 8 HA ILE 8 7.080 -1.337 1.835 362 HB ILE 8 HB ILE 8 9.916 -2.356 1.953 363 HG12 ILE 8 HG12 ILE 8 9.163 -3.603 -0.045 364 HG13 ILE 8 HG11 ILE 8 7.544 -2.934 0.140 365 HG21 ILE 8 HG21 ILE 8 8.932 -3.802 3.540 366 HG22 ILE 8 HG22 ILE 8 8.755 -4.686 2.024 367 HG23 ILE 8 HG23 ILE 8 7.380 -3.814 2.707 368 HD11 ILE 8 HD11 ILE 8 8.301 -0.731 -0.341 369 HD12 ILE 8 HD12 ILE 8 9.096 -1.765 -1.531 370 HD13 ILE 8 HD13 ILE 8 9.987 -1.196 -0.123 371 H THR 9 HN THR 9 9.759 -0.737 4.081 372 HA THR 9 HA THR 9 8.672 -2.061 6.314 373 HB THR 9 HB THR 9 10.505 0.346 6.210 374 HG1 THR 9 HG1 THR 9 11.370 -2.214 6.827 375 HG21 THR 9 HG21 THR 9 9.629 0.228 8.417 376 HG22 THR 9 HG22 THR 9 11.186 -0.596 8.491 377 HG23 THR 9 HG23 THR 9 9.694 -1.534 8.430 378 H ARG 10 HN ARG 10 8.357 1.273 5.178 379 HA ARG 10 HA ARG 10 6.866 2.289 7.335 380 HB2 ARG 10 HB2 ARG 10 7.904 3.720 5.611 381 HB3 ARG 10 HB1 ARG 10 6.747 3.117 4.425 382 HG2 ARG 10 HG2 ARG 10 4.892 4.044 5.664 383 HG3 ARG 10 HG1 ARG 10 5.947 4.492 7.005 384 HD2 ARG 10 HD2 ARG 10 5.524 6.470 5.667 385 HD3 ARG 10 HD1 ARG 10 7.203 5.990 5.447 386 HE ARG 10 HE ARG 10 5.631 4.783 3.422 387 HH11 ARG 10 HH11 ARG 10 5.656 5.701 1.355 388 HH12 ARG 10 HH12 ARG 10 6.174 7.339 1.140 389 HH21 ARG 10 HH21 ARG 10 6.787 7.864 4.509 390 HH22 ARG 10 HH22 ARG 10 6.812 8.563 2.925 391 H CYS 11 HN CYS 11 5.936 0.491 4.467 392 HA CYS 11 HA CYS 11 3.196 0.860 4.450 393 HB2 CYS 11 HB2 CYS 11 4.669 -0.519 2.858 394 HB3 CYS 11 HB1 CYS 11 4.476 -1.834 4.016 395 H LYS 12 HN LYS 12 5.134 -1.349 6.445 396 HA LYS 12 HA LYS 12 2.989 -2.737 7.643 397 HB2 LYS 12 HB2 LYS 12 5.777 -2.098 8.638 398 HB3 LYS 12 HB1 LYS 12 4.664 -3.171 9.490 399 HG2 LYS 12 HG2 LYS 12 4.513 -4.607 7.485 400 HG3 LYS 12 HG1 LYS 12 5.630 -3.537 6.636 401 HD2 LYS 12 HD2 LYS 12 7.368 -4.004 8.323 402 HD3 LYS 12 HD1 LYS 12 6.254 -5.071 9.178 403 HE2 LYS 12 HE2 LYS 12 6.101 -6.515 7.185 404 HE3 LYS 12 HE1 LYS 12 7.209 -5.449 6.323 405 HZ1 LYS 12 HZ1 LYS 12 8.307 -6.169 8.822 406 HZ2 LYS 12 HZ2 LYS 12 8.922 -6.455 7.264 407 HZ3 LYS 12 HZ3 LYS 12 7.859 -7.571 7.979 408 H LYS 13 HN LYS 13 4.566 0.310 8.461 409 HA LYS 13 HA LYS 13 3.359 0.715 10.975 410 HB2 LYS 13 HB2 LYS 13 5.287 2.031 10.105 411 HB3 LYS 13 HB1 LYS 13 4.194 2.822 8.969 412 HG2 LYS 13 HG2 LYS 13 2.849 3.691 10.829 413 HG3 LYS 13 HG1 LYS 13 3.893 2.864 11.987 414 HD2 LYS 13 HD2 LYS 13 5.824 4.188 11.186 415 HD3 LYS 13 HD1 LYS 13 4.767 5.030 10.052 416 HE2 LYS 13 HE2 LYS 13 3.413 5.879 11.930 417 HE3 LYS 13 HE1 LYS 13 4.458 5.029 13.069 418 HZ1 LYS 13 HZ1 LYS 13 6.088 6.533 12.837 419 HZ2 LYS 13 HZ2 LYS 13 4.837 7.554 12.307 420 HZ3 LYS 13 HZ3 LYS 13 5.819 6.749 11.177 421 H LEU 14 HN LEU 14 2.304 1.484 7.683 422 HA LEU 14 HA LEU 14 0.058 3.053 8.357 423 HB2 LEU 14 HB2 LEU 14 0.644 1.296 5.969 424 HB3 LEU 14 HB1 LEU 14 -0.774 2.343 6.069 425 HG LEU 14 HG LEU 14 2.083 3.316 6.383 426 HD11 LEU 14 HD11 LEU 14 1.477 2.383 4.083 427 HD12 LEU 14 HD12 LEU 14 2.016 4.063 4.114 428 HD13 LEU 14 HD13 LEU 14 0.299 3.690 3.970 429 HD21 LEU 14 HD21 LEU 14 0.802 4.983 7.383 430 HD22 LEU 14 HD22 LEU 14 -0.626 4.626 6.411 431 HD23 LEU 14 HD23 LEU 14 0.723 5.520 5.706 432 H LEU 15 HN LEU 15 0.400 -0.439 7.842 433 HA LEU 15 HA LEU 15 -2.349 -1.061 8.173 434 HB2 LEU 15 HB2 LEU 15 0.210 -2.610 8.393 435 HB3 LEU 15 HB1 LEU 15 -1.306 -3.367 8.883 436 HG LEU 15 HG LEU 15 -0.660 -3.768 6.469 437 HD11 LEU 15 HD11 LEU 15 -3.142 -3.466 7.520 438 HD12 LEU 15 HD12 LEU 15 -2.857 -3.838 5.821 439 HD13 LEU 15 HD13 LEU 15 -3.182 -2.177 6.313 440 HD21 LEU 15 HD21 LEU 15 -0.698 -1.993 4.883 441 HD22 LEU 15 HD22 LEU 15 0.226 -1.376 6.245 442 HD23 LEU 15 HD23 LEU 15 -1.446 -0.882 6.031 443 H ASP 16 HN ASP 16 0.331 -0.879 10.473 444 HA ASP 16 HA ASP 16 -1.156 -1.748 12.725 445 HB2 ASP 16 HB2 ASP 16 1.357 -0.102 12.437 446 HB3 ASP 16 HB1 ASP 16 0.685 -0.541 14.006 447 H ASP 17 HN ASP 17 -0.548 1.418 11.302 448 HA ASP 17 HA ASP 17 -1.786 2.930 13.369 449 HB2 ASP 17 HB2 ASP 17 -1.146 3.572 10.484 450 HB3 ASP 17 HB1 ASP 17 -1.855 4.739 11.599 451 H SER 18 HN SER 18 -3.035 0.873 11.014 452 HA SER 18 HA SER 18 -5.401 2.140 10.243 453 HB2 SER 18 HB2 SER 18 -6.238 -0.063 9.699 454 HB3 SER 18 HB1 SER 18 -4.517 -0.027 9.322 455 HG SER 18 HG SER 18 -5.091 -1.885 10.524 456 H SER 19 HN SER 19 -4.488 0.691 13.226 457 HA SER 19 HA SER 19 -7.220 0.604 14.257 458 HB2 SER 19 HB2 SER 19 -6.263 -0.303 16.272 459 HB3 SER 19 HB1 SER 19 -5.499 -1.104 14.900 460 HG SER 19 HG SER 19 -3.817 0.519 15.112 461 H SER 20 HN SER 20 -4.735 2.844 14.004 462 HA SER 20 HA SER 20 -5.382 4.395 16.363 463 HB2 SER 20 HB2 SER 20 -3.097 4.447 15.511 464 HB3 SER 20 HB1 SER 20 -3.661 5.064 13.962 465 HG SER 20 HG SER 20 -4.231 6.955 14.925 466 H2 ZBR 100 HA3 TBS 100 -1.910 -0.567 -1.564 467 H4 ZBR 100 HC3 TBS 100 0.229 0.023 2.138 468 H6 ZBR 100 HB3 TBS 100 2.308 -1.441 -1.355 469 H7 ZBR 100 HB11 TBS 100 0.517 -0.615 -3.663 470 H7A ZBR 100 HB12 TBS 100 -0.856 -1.679 -3.350 471 H8 ZBR 100 HA11 TBS 100 -2.379 1.306 0.789 472 H8A ZBR 100 HA12 TBS 100 -2.125 0.161 2.106 473 H9 ZBR 100 HC11 TBS 100 3.142 0.217 1.271 474 H9A ZBR 100 HC12 TBS 100 3.387 -1.453 0.752 Start of MODEL 18 1 H1 LYS 1 HN LYS 1 -6.609 5.503 16.701 2 HA LYS 1 HA LYS 1 -8.683 5.973 14.764 3 HB2 LYS 1 HB2 LYS 1 -7.996 7.366 17.361 4 HB3 LYS 1 HB1 LYS 1 -9.433 7.704 16.396 5 HG2 LYS 1 HG2 LYS 1 -10.144 5.351 16.621 6 HG3 LYS 1 HG1 LYS 1 -8.712 5.015 17.597 7 HD2 LYS 1 HD2 LYS 1 -9.455 6.666 19.270 8 HD3 LYS 1 HD1 LYS 1 -10.889 7.006 18.300 9 HE2 LYS 1 HE2 LYS 1 -11.608 4.659 18.527 10 HE3 LYS 1 HE1 LYS 1 -10.174 4.310 19.493 11 HZ1 LYS 1 HZ1 LYS 1 -11.566 6.576 20.495 12 HZ2 LYS 1 HZ2 LYS 1 -11.145 5.135 21.289 13 HZ3 LYS 1 HZ3 LYS 1 -12.595 5.231 20.411 14 H ASN 2 HN ASN 2 -5.634 6.731 14.499 15 HA ASN 2 HA ASN 2 -5.493 9.499 14.228 16 HB2 ASN 2 HB2 ASN 2 -3.507 9.020 12.745 17 HB3 ASN 2 HB1 ASN 2 -3.467 8.197 14.296 18 HD21 ASN 2 HD21 ASN 2 -5.848 6.806 12.306 19 HD22 ASN 2 HD22 ASN 2 -4.936 5.512 11.708 20 HA PRO 3 HA PRO 3 -7.768 10.358 10.545 21 HB2 PRO 3 HB2 PRO 3 -6.256 12.426 9.495 22 HB3 PRO 3 HB1 PRO 3 -7.379 12.608 10.854 23 HG2 PRO 3 HG2 PRO 3 -4.410 12.260 10.883 24 HG3 PRO 3 HG1 PRO 3 -5.431 13.327 11.869 25 HD2 PRO 3 HD2 PRO 3 -4.449 11.029 12.841 26 HD3 PRO 3 HD1 PRO 3 -6.046 11.622 13.327 27 H GLU 4 HN GLU 4 -4.414 9.515 10.401 28 HA GLU 4 HA GLU 4 -4.061 9.408 7.596 29 HB2 GLU 4 HB2 GLU 4 -2.712 7.894 9.836 30 HB3 GLU 4 HB1 GLU 4 -2.195 7.825 8.151 31 HG2 GLU 4 HG2 GLU 4 -1.843 10.254 8.136 32 HG3 GLU 4 HG1 GLU 4 -2.408 10.358 9.803 33 H ALA 5 HN ALA 5 -5.937 7.523 9.701 34 HA ALA 5 HA ALA 5 -5.815 4.972 8.543 35 HB1 ALA 5 HB1 ALA 5 -7.967 4.572 9.577 36 HB2 ALA 5 HB2 ALA 5 -8.260 6.305 9.729 37 HB3 ALA 5 HB3 ALA 5 -6.987 5.539 10.679 38 H GLU 6 HN GLU 6 -7.284 7.924 7.448 39 HA GLU 6 HA GLU 6 -9.216 6.904 5.681 40 HB2 GLU 6 HB2 GLU 6 -7.553 9.432 5.548 41 HB3 GLU 6 HB1 GLU 6 -8.916 9.094 4.481 42 HG2 GLU 6 HG2 GLU 6 -9.093 9.131 7.506 43 HG3 GLU 6 HG1 GLU 6 -9.536 10.488 6.472 44 H GLU 7 HN GLU 7 -5.747 7.415 5.307 45 HA GLU 7 HA GLU 7 -5.592 6.972 2.526 46 HB2 GLU 7 HB2 GLU 7 -3.742 7.947 3.828 47 HB3 GLU 7 HB1 GLU 7 -3.521 6.408 4.662 48 HG2 GLU 7 HG2 GLU 7 -1.913 6.595 2.824 49 HG3 GLU 7 HG1 GLU 7 -3.055 5.311 2.475 50 H ILE 8 HN ILE 8 -5.507 4.781 5.284 51 HA ILE 8 HA ILE 8 -4.815 2.415 3.894 52 HB ILE 8 HB ILE 8 -6.310 2.927 6.467 53 HG12 ILE 8 HG12 ILE 8 -4.257 2.014 7.453 54 HG13 ILE 8 HG11 ILE 8 -3.607 1.699 5.844 55 HG21 ILE 8 HG21 ILE 8 -5.764 0.331 5.029 56 HG22 ILE 8 HG22 ILE 8 -7.259 0.880 5.790 57 HG23 ILE 8 HG23 ILE 8 -5.893 0.383 6.788 58 HD11 ILE 8 HD11 ILE 8 -4.461 4.471 6.677 59 HD12 ILE 8 HD12 ILE 8 -3.377 3.996 5.355 60 HD13 ILE 8 HD13 ILE 8 -2.849 3.863 7.027 61 H THR 9 HN THR 9 -7.947 3.913 4.630 62 HA THR 9 HA THR 9 -9.597 1.870 3.597 63 HB THR 9 HB THR 9 -10.069 4.860 3.706 64 HG1 THR 9 HG1 THR 9 -9.651 3.480 5.667 65 HG21 THR 9 HG21 THR 9 -11.884 2.505 3.172 66 HG22 THR 9 HG22 THR 9 -11.659 3.949 2.186 67 HG23 THR 9 HG23 THR 9 -12.499 4.059 3.732 68 H ARG 10 HN ARG 10 -8.105 4.705 2.062 69 HA ARG 10 HA ARG 10 -9.275 4.390 -0.495 70 HB2 ARG 10 HB2 ARG 10 -8.104 6.446 0.252 71 HB3 ARG 10 HB1 ARG 10 -6.573 5.570 0.196 72 HG2 ARG 10 HG2 ARG 10 -6.817 5.191 -2.183 73 HG3 ARG 10 HG1 ARG 10 -8.432 5.887 -2.177 74 HD2 ARG 10 HD2 ARG 10 -6.910 7.576 -2.989 75 HD3 ARG 10 HD1 ARG 10 -7.414 8.038 -1.367 76 HE ARG 10 HE ARG 10 -5.042 6.524 -1.161 77 HH11 ARG 10 HH11 ARG 10 -3.077 7.614 -0.859 78 HH12 ARG 10 HH12 ARG 10 -2.943 9.286 -1.271 79 HH21 ARG 10 HH21 ARG 10 -6.224 9.552 -2.359 80 HH22 ARG 10 HH22 ARG 10 -4.723 10.385 -2.122 81 H CYS 11 HN CYS 11 -6.302 3.105 0.952 82 HA CYS 11 HA CYS 11 -5.248 1.891 -1.360 83 HB2 CYS 11 HB2 CYS 11 -4.807 1.751 1.544 84 HB3 CYS 11 HB1 CYS 11 -4.461 0.239 0.707 85 H LYS 12 HN LYS 12 -7.544 0.729 1.067 86 HA LYS 12 HA LYS 12 -7.729 -1.941 0.221 87 HB2 LYS 12 HB2 LYS 12 -8.706 -1.047 2.330 88 HB3 LYS 12 HB1 LYS 12 -9.940 -0.224 1.375 89 HG2 LYS 12 HG2 LYS 12 -10.718 -2.371 0.478 90 HG3 LYS 12 HG1 LYS 12 -9.453 -3.215 1.371 91 HD2 LYS 12 HD2 LYS 12 -10.411 -2.415 3.499 92 HD3 LYS 12 HD1 LYS 12 -11.679 -1.570 2.608 93 HE2 LYS 12 HE2 LYS 12 -12.506 -3.738 3.418 94 HE3 LYS 12 HE1 LYS 12 -12.438 -3.726 1.655 95 HZ1 LYS 12 HZ1 LYS 12 -10.176 -4.721 3.274 96 HZ2 LYS 12 HZ2 LYS 12 -10.534 -5.034 1.644 97 HZ3 LYS 12 HZ3 LYS 12 -11.477 -5.732 2.872 98 H LYS 13 HN LYS 13 -9.515 0.950 -0.815 99 HA LYS 13 HA LYS 13 -11.267 -0.356 -2.615 100 HB2 LYS 13 HB2 LYS 13 -10.220 2.479 -2.536 101 HB3 LYS 13 HB1 LYS 13 -11.466 1.928 -3.658 102 HG2 LYS 13 HG2 LYS 13 -12.866 1.216 -1.749 103 HG3 LYS 13 HG1 LYS 13 -11.627 1.788 -0.632 104 HD2 LYS 13 HD2 LYS 13 -11.869 4.075 -1.534 105 HD3 LYS 13 HD1 LYS 13 -13.114 3.502 -2.645 106 HE2 LYS 13 HE2 LYS 13 -14.504 2.801 -0.727 107 HE3 LYS 13 HE1 LYS 13 -13.262 3.383 0.382 108 HZ1 LYS 13 HZ1 LYS 13 -14.270 5.341 0.278 109 HZ2 LYS 13 HZ2 LYS 13 -15.270 4.849 -1.006 110 HZ3 LYS 13 HZ3 LYS 13 -13.723 5.476 -1.323 111 H LEU 14 HN LEU 14 -8.027 1.023 -2.998 112 HA LEU 14 HA LEU 14 -7.855 0.765 -5.800 113 HB2 LEU 14 HB2 LEU 14 -5.818 0.876 -3.577 114 HB3 LEU 14 HB1 LEU 14 -5.305 0.651 -5.249 115 HG LEU 14 HG LEU 14 -7.224 2.886 -4.589 116 HD11 LEU 14 HD11 LEU 14 -5.569 3.444 -3.036 117 HD12 LEU 14 HD12 LEU 14 -5.020 4.298 -4.469 118 HD13 LEU 14 HD13 LEU 14 -4.266 2.772 -4.005 119 HD21 LEU 14 HD21 LEU 14 -6.535 2.149 -6.963 120 HD22 LEU 14 HD22 LEU 14 -4.932 2.745 -6.569 121 HD23 LEU 14 HD23 LEU 14 -6.309 3.849 -6.585 122 H LEU 15 HN LEU 15 -7.026 -1.460 -3.171 123 HA LEU 15 HA LEU 15 -5.874 -3.479 -4.781 124 HB2 LEU 15 HB2 LEU 15 -7.295 -3.620 -2.109 125 HB3 LEU 15 HB1 LEU 15 -6.432 -4.969 -2.834 126 HG LEU 15 HG LEU 15 -5.165 -2.266 -2.304 127 HD11 LEU 15 HD11 LEU 15 -5.806 -3.288 -0.173 128 HD12 LEU 15 HD12 LEU 15 -4.058 -3.399 -0.384 129 HD13 LEU 15 HD13 LEU 15 -5.072 -4.816 -0.664 130 HD21 LEU 15 HD21 LEU 15 -4.215 -4.914 -3.379 131 HD22 LEU 15 HD22 LEU 15 -3.102 -3.958 -2.413 132 HD23 LEU 15 HD23 LEU 15 -3.788 -3.279 -3.877 133 H ASP 16 HN ASP 16 -9.203 -2.911 -3.713 134 HA ASP 16 HA ASP 16 -10.271 -5.273 -4.933 135 HB2 ASP 16 HB2 ASP 16 -11.543 -2.715 -3.954 136 HB3 ASP 16 HB1 ASP 16 -12.467 -4.058 -4.628 137 H ASP 17 HN ASP 17 -9.935 -1.890 -5.911 138 HA ASP 17 HA ASP 17 -11.381 -2.131 -8.350 139 HB2 ASP 17 HB2 ASP 17 -9.353 -0.115 -7.380 140 HB3 ASP 17 HB1 ASP 17 -10.185 0.017 -8.929 141 H SER 18 HN SER 18 -8.390 -3.324 -7.375 142 HA SER 18 HA SER 18 -6.790 -3.027 -9.638 143 HB2 SER 18 HB2 SER 18 -5.529 -4.919 -8.814 144 HB3 SER 18 HB1 SER 18 -6.070 -3.981 -7.426 145 HG SER 18 HG SER 18 -6.653 -6.002 -6.923 146 H SER 19 HN SER 19 -9.594 -4.925 -9.138 147 HA SER 19 HA SER 19 -9.089 -6.732 -11.355 148 HB2 SER 19 HB2 SER 19 -11.529 -6.273 -9.644 149 HB3 SER 19 HB1 SER 19 -11.437 -7.485 -10.919 150 HG SER 19 HG SER 19 -10.216 -8.680 -9.680 151 H SER 20 HN SER 20 -10.167 -3.589 -11.021 152 HA SER 20 HA SER 20 -12.023 -3.564 -13.241 153 HB2 SER 20 HB2 SER 20 -10.714 -1.236 -11.831 154 HB3 SER 20 HB1 SER 20 -12.108 -1.164 -12.905 155 HG SER 20 HG SER 20 -13.110 -2.663 -11.371 156 H1 LYS 1 HN LYS 1 -11.678 -2.551 -15.256 157 HA LYS 1 HA LYS 1 -9.016 -2.920 -16.296 158 HB2 LYS 1 HB2 LYS 1 -11.557 -1.905 -17.588 159 HB3 LYS 1 HB1 LYS 1 -10.052 -2.224 -18.452 160 HG2 LYS 1 HG2 LYS 1 -10.126 -4.582 -17.703 161 HG3 LYS 1 HG1 LYS 1 -11.642 -4.259 -16.862 162 HD2 LYS 1 HD2 LYS 1 -12.698 -3.626 -19.002 163 HD3 LYS 1 HD1 LYS 1 -11.185 -3.960 -19.845 164 HE2 LYS 1 HE2 LYS 1 -11.280 -6.309 -19.096 165 HE3 LYS 1 HE1 LYS 1 -12.796 -5.979 -18.256 166 HZ1 LYS 1 HZ1 LYS 1 -12.908 -5.086 -20.948 167 HZ2 LYS 1 HZ2 LYS 1 -13.919 -6.185 -20.137 168 HZ3 LYS 1 HZ3 LYS 1 -12.494 -6.729 -20.886 169 H ASN 2 HN ASN 2 -10.028 -0.604 -14.410 170 HA ASN 2 HA ASN 2 -9.654 1.791 -15.776 171 HB2 ASN 2 HB2 ASN 2 -9.167 2.745 -13.480 172 HB3 ASN 2 HB1 ASN 2 -10.664 1.834 -13.602 173 HD21 ASN 2 HD21 ASN 2 -7.874 -0.172 -13.730 174 HD22 ASN 2 HD22 ASN 2 -7.892 -0.682 -12.118 175 HA PRO 3 HA PRO 3 -5.304 1.980 -16.497 176 HB2 PRO 3 HB2 PRO 3 -4.863 4.696 -16.193 177 HB3 PRO 3 HB1 PRO 3 -5.608 3.966 -17.628 178 HG2 PRO 3 HG2 PRO 3 -6.911 5.290 -15.284 179 HG3 PRO 3 HG1 PRO 3 -7.298 5.417 -17.012 180 HD2 PRO 3 HD2 PRO 3 -8.744 3.881 -15.353 181 HD3 PRO 3 HD1 PRO 3 -8.469 3.407 -17.040 182 H GLU 4 HN GLU 4 -6.665 3.132 -13.533 183 HA GLU 4 HA GLU 4 -4.295 3.796 -12.136 184 HB2 GLU 4 HB2 GLU 4 -6.993 2.848 -11.161 185 HB3 GLU 4 HB1 GLU 4 -5.699 3.391 -10.091 186 HG2 GLU 4 HG2 GLU 4 -5.666 5.577 -11.210 187 HG3 GLU 4 HG1 GLU 4 -6.924 5.038 -12.322 188 H ALA 5 HN ALA 5 -5.503 0.824 -13.230 189 HA ALA 5 HA ALA 5 -4.685 -0.964 -11.235 190 HB1 ALA 5 HB1 ALA 5 -4.726 -2.663 -12.950 191 HB2 ALA 5 HB2 ALA 5 -4.617 -1.442 -14.218 192 HB3 ALA 5 HB3 ALA 5 -6.070 -1.555 -13.227 193 H GLU 6 HN GLU 6 -2.868 0.868 -13.555 194 HA GLU 6 HA GLU 6 -0.517 -0.666 -13.690 195 HB2 GLU 6 HB2 GLU 6 -0.941 2.328 -13.873 196 HB3 GLU 6 HB1 GLU 6 0.584 1.523 -14.252 197 HG2 GLU 6 HG2 GLU 6 -2.057 0.855 -15.577 198 HG3 GLU 6 HG1 GLU 6 -0.856 1.946 -16.268 199 H GLU 7 HN GLU 7 -1.629 1.703 -11.324 200 HA GLU 7 HA GLU 7 0.779 1.961 -9.877 201 HB2 GLU 7 HB2 GLU 7 -1.121 3.505 -9.596 202 HB3 GLU 7 HB1 GLU 7 -2.074 2.200 -8.887 203 HG2 GLU 7 HG2 GLU 7 -1.096 3.577 -7.112 204 HG3 GLU 7 HG1 GLU 7 -0.385 1.974 -7.073 205 H ILE 8 HN ILE 8 -1.890 -0.329 -9.656 206 HA ILE 8 HA ILE 8 -1.110 -1.625 -7.265 207 HB ILE 8 HB ILE 8 -2.736 -2.517 -9.646 208 HG12 ILE 8 HG12 ILE 8 -4.575 -2.338 -8.042 209 HG13 ILE 8 HG11 ILE 8 -3.440 -1.934 -6.757 210 HG21 ILE 8 HG21 ILE 8 -1.869 -4.062 -7.207 211 HG22 ILE 8 HG22 ILE 8 -1.866 -4.571 -8.896 212 HG23 ILE 8 HG23 ILE 8 -3.389 -4.432 -8.020 213 HD11 ILE 8 HD11 ILE 8 -3.613 -0.292 -9.280 214 HD12 ILE 8 HD12 ILE 8 -2.933 0.164 -7.712 215 HD13 ILE 8 HD13 ILE 8 -4.672 0.015 -7.912 216 H THR 9 HN THR 9 -0.310 -2.230 -10.668 217 HA THR 9 HA THR 9 1.185 -4.591 -10.292 218 HB THR 9 HB THR 9 1.503 -2.421 -12.380 219 HG1 THR 9 HG1 THR 9 -0.547 -3.638 -12.106 220 HG21 THR 9 HG21 THR 9 2.594 -5.228 -12.147 221 HG22 THR 9 HG22 THR 9 3.493 -3.733 -12.405 222 HG23 THR 9 HG23 THR 9 2.478 -4.385 -13.691 223 H ARG 10 HN ARG 10 2.122 -1.167 -10.220 224 HA ARG 10 HA ARG 10 4.906 -1.559 -9.897 225 HB2 ARG 10 HB2 ARG 10 3.870 0.612 -10.504 226 HB3 ARG 10 HB1 ARG 10 3.207 0.727 -8.873 227 HG2 ARG 10 HG2 ARG 10 5.425 0.752 -7.908 228 HG3 ARG 10 HG1 ARG 10 6.162 0.441 -9.476 229 HD2 ARG 10 HD2 ARG 10 6.362 2.807 -9.028 230 HD3 ARG 10 HD1 ARG 10 5.151 2.595 -10.290 231 HE ARG 10 HE ARG 10 3.839 2.608 -7.789 232 HH11 ARG 10 HH11 ARG 10 2.800 4.506 -7.118 233 HH12 ARG 10 HH12 ARG 10 3.227 6.023 -7.825 234 HH21 ARG 10 HH21 ARG 10 5.635 4.668 -9.920 235 HH22 ARG 10 HH22 ARG 10 4.834 6.118 -9.410 236 H CYS 11 HN CYS 11 2.246 -1.278 -7.565 237 HA CYS 11 HA CYS 11 3.792 -1.270 -5.212 238 HB2 CYS 11 HB2 CYS 11 0.976 -1.767 -5.936 239 HB3 CYS 11 HB1 CYS 11 1.506 -2.561 -4.452 240 H LYS 12 HN LYS 12 2.520 -3.923 -7.172 241 HA LYS 12 HA LYS 12 3.165 -6.047 -5.447 242 HB2 LYS 12 HB2 LYS 12 1.738 -6.254 -7.473 243 HB3 LYS 12 HB1 LYS 12 3.178 -6.064 -8.473 244 HG2 LYS 12 HG2 LYS 12 4.175 -8.067 -7.471 245 HG3 LYS 12 HG1 LYS 12 2.777 -8.246 -6.409 246 HD2 LYS 12 HD2 LYS 12 1.312 -8.526 -8.371 247 HD3 LYS 12 HD1 LYS 12 2.704 -8.340 -9.438 248 HE2 LYS 12 HE2 LYS 12 2.190 -10.721 -9.117 249 HE3 LYS 12 HE1 LYS 12 3.754 -10.330 -8.402 250 HZ1 LYS 12 HZ1 LYS 12 1.273 -10.246 -6.802 251 HZ2 LYS 12 HZ2 LYS 12 2.879 -10.377 -6.266 252 HZ3 LYS 12 HZ3 LYS 12 2.123 -11.696 -7.024 253 H LYS 13 HN LYS 13 5.059 -4.464 -8.002 254 HA LYS 13 HA LYS 13 7.344 -6.126 -7.824 255 HB2 LYS 13 HB2 LYS 13 7.020 -3.253 -8.714 256 HB3 LYS 13 HB1 LYS 13 8.521 -4.166 -8.871 257 HG2 LYS 13 HG2 LYS 13 7.350 -5.873 -10.218 258 HG3 LYS 13 HG1 LYS 13 5.852 -4.952 -10.071 259 HD2 LYS 13 HD2 LYS 13 6.888 -3.042 -11.215 260 HD3 LYS 13 HD1 LYS 13 8.407 -3.929 -11.343 261 HE2 LYS 13 HE2 LYS 13 7.289 -5.659 -12.698 262 HE3 LYS 13 HE1 LYS 13 5.766 -4.778 -12.572 263 HZ1 LYS 13 HZ1 LYS 13 6.398 -3.657 -14.360 264 HZ2 LYS 13 HZ2 LYS 13 7.953 -4.338 -14.328 265 HZ3 LYS 13 HZ3 LYS 13 7.619 -2.935 -13.430 266 H LEU 14 HN LEU 14 6.389 -3.164 -6.123 267 HA LEU 14 HA LEU 14 8.819 -2.732 -4.763 268 HB2 LEU 14 HB2 LEU 14 5.948 -1.979 -4.229 269 HB3 LEU 14 HB1 LEU 14 7.201 -1.568 -3.058 270 HG LEU 14 HG LEU 14 7.614 -0.878 -5.969 271 HD11 LEU 14 HD11 LEU 14 5.523 0.152 -5.662 272 HD12 LEU 14 HD12 LEU 14 6.655 1.428 -5.255 273 HD13 LEU 14 HD13 LEU 14 5.836 0.533 -3.973 274 HD21 LEU 14 HD21 LEU 14 9.381 -0.676 -4.086 275 HD22 LEU 14 HD22 LEU 14 8.385 0.620 -3.451 276 HD23 LEU 14 HD23 LEU 14 9.098 0.759 -5.059 277 H LEU 15 HN LEU 15 5.943 -4.615 -3.900 278 HA LEU 15 HA LEU 15 6.774 -5.329 -1.294 279 HB2 LEU 15 HB2 LEU 15 4.958 -6.733 -3.273 280 HB3 LEU 15 HB1 LEU 15 5.158 -7.237 -1.601 281 HG LEU 15 HG LEU 15 4.315 -4.442 -2.414 282 HD11 LEU 15 HD11 LEU 15 2.597 -6.038 -3.120 283 HD12 LEU 15 HD12 LEU 15 2.038 -5.151 -1.702 284 HD13 LEU 15 HD13 LEU 15 2.631 -6.804 -1.530 285 HD21 LEU 15 HD21 LEU 15 4.730 -5.888 0.189 286 HD22 LEU 15 HD22 LEU 15 3.423 -4.717 0.094 287 HD23 LEU 15 HD23 LEU 15 5.071 -4.213 -0.237 288 H ASP 16 HN ASP 16 7.257 -6.885 -4.441 289 HA ASP 16 HA ASP 16 8.657 -9.154 -3.399 290 HB2 ASP 16 HB2 ASP 16 8.482 -7.938 -6.156 291 HB3 ASP 16 HB1 ASP 16 9.406 -9.398 -5.806 292 H ASP 17 HN ASP 17 9.629 -6.014 -4.699 293 HA ASP 17 HA ASP 17 12.429 -6.526 -4.669 294 HB2 ASP 17 HB2 ASP 17 10.831 -3.965 -4.718 295 HB3 ASP 17 HB1 ASP 17 12.591 -4.008 -4.797 296 H SER 18 HN SER 18 10.195 -6.088 -2.195 297 HA SER 18 HA SER 18 11.562 -4.538 -0.327 298 HB2 SER 18 HB2 SER 18 10.144 -5.537 1.333 299 HB3 SER 18 HB1 SER 18 9.196 -5.425 -0.146 300 HG SER 18 HG SER 18 8.915 -7.474 0.436 301 H SER 19 HN SER 19 12.187 -7.715 -1.457 302 HA SER 19 HA SER 19 13.864 -8.468 0.789 303 HB2 SER 19 HB2 SER 19 13.408 -9.747 -1.905 304 HB3 SER 19 HB1 SER 19 14.438 -10.434 -0.651 305 HG SER 19 HG SER 19 12.710 -11.098 0.334 306 H SER 20 HN SER 20 14.214 -6.576 -1.956 307 HA SER 20 HA SER 20 17.024 -7.087 -2.422 308 HB2 SER 20 HB2 SER 20 15.359 -4.769 -3.411 309 HB3 SER 20 HB1 SER 20 16.900 -5.323 -4.057 310 HG SER 20 HG SER 20 15.815 -7.345 -4.491 311 H1 LYS 1 HN LYS 1 18.729 -5.633 -1.993 312 HA LYS 1 HA LYS 1 18.465 -4.222 0.506 313 HB2 LYS 1 HB2 LYS 1 20.787 -4.506 -1.414 314 HB3 LYS 1 HB1 LYS 1 20.887 -3.721 0.162 315 HG2 LYS 1 HG2 LYS 1 20.157 -5.816 1.250 316 HG3 LYS 1 HG1 LYS 1 20.077 -6.603 -0.327 317 HD2 LYS 1 HD2 LYS 1 22.487 -6.179 -0.663 318 HD3 LYS 1 HD1 LYS 1 22.568 -5.404 0.921 319 HE2 LYS 1 HE2 LYS 1 21.847 -7.506 1.993 320 HE3 LYS 1 HE1 LYS 1 21.766 -8.284 0.412 321 HZ1 LYS 1 HZ1 LYS 1 24.268 -7.006 0.773 322 HZ2 LYS 1 HZ2 LYS 1 23.936 -8.640 0.447 323 HZ3 LYS 1 HZ3 LYS 1 23.972 -8.081 2.051 324 H ASN 2 HN ASN 2 17.317 -3.362 -2.304 325 HA ASN 2 HA ASN 2 18.474 -0.917 -2.957 326 HB2 ASN 2 HB2 ASN 2 16.255 -0.426 -4.061 327 HB3 ASN 2 HB1 ASN 2 16.965 -1.970 -4.505 328 HD21 ASN 2 HD21 ASN 2 15.823 -2.053 -1.294 329 HD22 ASN 2 HD22 ASN 2 14.326 -2.784 -1.594 330 HA PRO 3 HA PRO 3 17.225 1.806 0.277 331 HB2 PRO 3 HB2 PRO 3 16.844 4.147 -1.151 332 HB3 PRO 3 HB1 PRO 3 18.436 3.498 -0.715 333 HG2 PRO 3 HG2 PRO 3 16.943 3.274 -3.296 334 HG3 PRO 3 HG1 PRO 3 18.668 3.579 -3.013 335 HD2 PRO 3 HD2 PRO 3 17.767 1.158 -3.725 336 HD3 PRO 3 HD1 PRO 3 19.142 1.334 -2.624 337 H GLU 4 HN GLU 4 15.191 1.298 -2.480 338 HA GLU 4 HA GLU 4 12.923 2.792 -1.699 339 HB2 GLU 4 HB2 GLU 4 13.192 0.311 -3.403 340 HB3 GLU 4 HB1 GLU 4 11.680 1.199 -3.199 341 HG2 GLU 4 HG2 GLU 4 12.741 3.235 -4.077 342 HG3 GLU 4 HG1 GLU 4 14.271 2.376 -4.250 343 H ALA 5 HN ALA 5 14.336 0.010 -0.373 344 HA ALA 5 HA ALA 5 12.127 -1.441 0.557 345 HB1 ALA 5 HB1 ALA 5 13.635 -2.405 2.181 346 HB2 ALA 5 HB2 ALA 5 14.766 -1.065 1.986 347 HB3 ALA 5 HB3 ALA 5 14.506 -2.200 0.660 348 H GLU 6 HN GLU 6 13.482 1.584 1.589 349 HA GLU 6 HA GLU 6 12.525 1.693 4.229 350 HB2 GLU 6 HB2 GLU 6 12.988 3.888 2.195 351 HB3 GLU 6 HB1 GLU 6 12.623 4.188 3.895 352 HG2 GLU 6 HG2 GLU 6 14.954 2.511 2.925 353 HG3 GLU 6 HG1 GLU 6 15.080 4.208 3.390 354 H GLU 7 HN GLU 7 10.965 2.417 1.151 355 HA GLU 7 HA GLU 7 8.628 3.612 2.179 356 HB2 GLU 7 HB2 GLU 7 9.249 3.725 -0.205 357 HB3 GLU 7 HB1 GLU 7 8.983 1.988 -0.355 358 HG2 GLU 7 HG2 GLU 7 7.008 3.215 -1.137 359 HG3 GLU 7 HG1 GLU 7 6.608 2.304 0.307 360 H ILE 8 HN ILE 8 9.497 0.252 1.572 361 HA ILE 8 HA ILE 8 6.961 -0.907 2.029 362 HB ILE 8 HB ILE 8 9.774 -1.969 2.278 363 HG12 ILE 8 HG12 ILE 8 9.119 -3.210 0.272 364 HG13 ILE 8 HG11 ILE 8 7.495 -2.544 0.360 365 HG21 ILE 8 HG21 ILE 8 7.138 -3.288 2.921 366 HG22 ILE 8 HG22 ILE 8 8.641 -3.313 3.845 367 HG23 ILE 8 HG23 ILE 8 8.507 -4.240 2.353 368 HD11 ILE 8 HD11 ILE 8 9.922 -0.762 0.199 369 HD12 ILE 8 HD12 ILE 8 8.238 -0.377 -0.190 370 HD13 ILE 8 HD13 ILE 8 9.176 -1.420 -1.250 371 H THR 9 HN THR 9 9.655 -0.158 4.207 372 HA THR 9 HA THR 9 8.579 -1.307 6.549 373 HB THR 9 HB THR 9 10.415 1.081 6.239 374 HG1 THR 9 HG1 THR 9 10.978 -1.120 5.426 375 HG21 THR 9 HG21 THR 9 9.645 -0.619 8.617 376 HG22 THR 9 HG22 THR 9 9.498 1.131 8.451 377 HG23 THR 9 HG23 THR 9 11.092 0.388 8.589 378 H ARG 10 HN ARG 10 8.248 1.933 5.138 379 HA ARG 10 HA ARG 10 6.740 3.090 7.233 380 HB2 ARG 10 HB2 ARG 10 7.818 4.398 5.427 381 HB3 ARG 10 HB1 ARG 10 6.653 3.739 4.278 382 HG2 ARG 10 HG2 ARG 10 4.811 4.754 5.477 383 HG3 ARG 10 HG1 ARG 10 5.885 5.291 6.765 384 HD2 ARG 10 HD2 ARG 10 5.481 7.179 5.313 385 HD3 ARG 10 HD1 ARG 10 7.137 6.639 5.050 386 HE ARG 10 HE ARG 10 5.468 5.323 3.193 387 HH11 ARG 10 HH11 ARG 10 5.380 6.100 1.064 388 HH12 ARG 10 HH12 ARG 10 5.867 7.720 0.714 389 HH21 ARG 10 HH21 ARG 10 6.647 8.478 4.006 390 HH22 ARG 10 HH22 ARG 10 6.583 9.068 2.379 391 H CYS 11 HN CYS 11 5.803 1.288 4.327 392 HA CYS 11 HA CYS 11 3.013 1.617 4.553 393 HB2 CYS 11 HB2 CYS 11 4.851 -0.220 3.137 394 HB3 CYS 11 HB1 CYS 11 3.213 -0.822 3.399 395 H LYS 12 HN LYS 12 5.222 -0.761 5.951 396 HA LYS 12 HA LYS 12 3.309 -2.503 7.049 397 HB2 LYS 12 HB2 LYS 12 5.742 -2.991 6.907 398 HB3 LYS 12 HB1 LYS 12 6.028 -1.801 8.178 399 HG2 LYS 12 HG2 LYS 12 4.624 -3.074 9.731 400 HG3 LYS 12 HG1 LYS 12 4.257 -4.244 8.462 401 HD2 LYS 12 HD2 LYS 12 6.643 -4.834 8.304 402 HD3 LYS 12 HD1 LYS 12 7.022 -3.654 9.560 403 HE2 LYS 12 HE2 LYS 12 6.863 -5.900 10.536 404 HE3 LYS 12 HE1 LYS 12 5.553 -4.884 11.137 405 HZ1 LYS 12 HZ1 LYS 12 5.190 -6.583 8.750 406 HZ2 LYS 12 HZ2 LYS 12 4.010 -5.935 9.785 407 HZ3 LYS 12 HZ3 LYS 12 4.989 -7.221 10.308 408 H LYS 13 HN LYS 13 4.845 0.412 8.381 409 HA LYS 13 HA LYS 13 3.637 0.305 10.939 410 HB2 LYS 13 HB2 LYS 13 4.673 2.636 9.311 411 HB3 LYS 13 HB1 LYS 13 4.141 2.767 10.988 412 HG2 LYS 13 HG2 LYS 13 5.807 1.061 11.647 413 HG3 LYS 13 HG1 LYS 13 6.352 0.960 9.973 414 HD2 LYS 13 HD2 LYS 13 6.978 3.341 10.017 415 HD3 LYS 13 HD1 LYS 13 6.424 3.458 11.687 416 HE2 LYS 13 HE2 LYS 13 8.090 1.774 12.366 417 HE3 LYS 13 HE1 LYS 13 8.645 1.646 10.697 418 HZ1 LYS 13 HZ1 LYS 13 10.034 3.289 11.186 419 HZ2 LYS 13 HZ2 LYS 13 9.270 3.612 12.669 420 HZ3 LYS 13 HZ3 LYS 13 8.692 4.324 11.238 421 H LEU 14 HN LEU 14 2.617 1.734 7.860 422 HA LEU 14 HA LEU 14 0.351 3.104 8.832 423 HB2 LEU 14 HB2 LEU 14 1.142 1.999 6.140 424 HB3 LEU 14 HB1 LEU 14 -0.438 2.750 6.363 425 HG LEU 14 HG LEU 14 2.031 4.205 7.316 426 HD11 LEU 14 HD11 LEU 14 2.714 3.817 5.107 427 HD12 LEU 14 HD12 LEU 14 1.881 5.356 4.984 428 HD13 LEU 14 HD13 LEU 14 1.074 3.873 4.470 429 HD21 LEU 14 HD21 LEU 14 -0.431 4.903 7.749 430 HD22 LEU 14 HD22 LEU 14 -0.504 5.257 6.031 431 HD23 LEU 14 HD23 LEU 14 0.633 6.123 7.066 432 H LEU 15 HN LEU 15 0.768 -0.193 7.599 433 HA LEU 15 HA LEU 15 -1.962 -0.927 7.656 434 HB2 LEU 15 HB2 LEU 15 0.563 -2.580 7.953 435 HB3 LEU 15 HB1 LEU 15 -1.044 -3.270 7.770 436 HG LEU 15 HG LEU 15 0.177 -1.319 5.799 437 HD11 LEU 15 HD11 LEU 15 1.484 -3.385 5.800 438 HD12 LEU 15 HD12 LEU 15 0.482 -3.323 4.350 439 HD13 LEU 15 HD13 LEU 15 0.006 -4.344 5.707 440 HD21 LEU 15 HD21 LEU 15 -2.409 -2.843 5.982 441 HD22 LEU 15 HD22 LEU 15 -1.700 -2.589 4.392 442 HD23 LEU 15 HD23 LEU 15 -2.102 -1.209 5.396 443 H ASP 16 HN ASP 16 0.597 -1.148 10.097 444 HA ASP 16 HA ASP 16 -1.040 -2.431 12.066 445 HB2 ASP 16 HB2 ASP 16 1.564 -0.912 12.238 446 HB3 ASP 16 HB1 ASP 16 0.788 -1.661 13.634 447 H ASP 17 HN ASP 17 -0.167 0.918 11.349 448 HA ASP 17 HA ASP 17 -1.426 2.056 13.633 449 HB2 ASP 17 HB2 ASP 17 -0.565 3.217 10.986 450 HB3 ASP 17 HB1 ASP 17 -1.288 4.188 12.267 451 H SER 18 HN SER 18 -2.667 0.614 10.858 452 HA SER 18 HA SER 18 -4.881 2.183 10.230 453 HB2 SER 18 HB2 SER 18 -5.840 0.169 9.259 454 HB3 SER 18 HB1 SER 18 -4.111 0.195 8.931 455 HG SER 18 HG SER 18 -4.582 -1.815 9.719 456 H SER 19 HN SER 19 -4.248 0.253 12.985 457 HA SER 19 HA SER 19 -7.025 0.034 13.799 458 HB2 SER 19 HB2 SER 19 -4.450 -0.621 15.224 459 HB3 SER 19 HB1 SER 19 -6.049 -0.899 15.908 460 HG SER 19 HG SER 19 -6.181 -2.623 14.726 461 H SER 20 HN SER 20 -4.644 2.388 13.944 462 HA SER 20 HA SER 20 -5.446 3.607 16.437 463 HB2 SER 20 HB2 SER 20 -3.786 4.780 14.197 464 HB3 SER 20 HB1 SER 20 -3.906 5.388 15.845 465 HG SER 20 HG SER 20 -3.135 3.223 16.462 466 H2 ZBR 100 HA3 TBS 100 -1.826 0.360 -1.656 467 H4 ZBR 100 HC3 TBS 100 0.630 0.629 1.898 468 H6 ZBR 100 HB3 TBS 100 2.369 -0.689 -1.836 469 H7 ZBR 100 HB11 TBS 100 -0.713 0.112 -3.783 470 H7A ZBR 100 HB12 TBS 100 -0.226 -1.545 -3.466 471 H8 ZBR 100 HA11 TBS 100 -1.550 1.625 1.838 472 H8A ZBR 100 HA12 TBS 100 -2.397 0.148 1.418 473 H9 ZBR 100 HC11 TBS 100 3.769 -0.143 0.019 474 H9A ZBR 100 HC12 TBS 100 3.024 -1.183 1.221 Start of MODEL 19 1 H1 LYS 1 HN LYS 1 -5.899 5.746 17.034 2 HA LYS 1 HA LYS 1 -8.150 6.162 15.280 3 HB2 LYS 1 HB2 LYS 1 -7.227 7.666 17.741 4 HB3 LYS 1 HB1 LYS 1 -8.754 7.946 16.905 5 HG2 LYS 1 HG2 LYS 1 -9.415 5.610 17.316 6 HG3 LYS 1 HG1 LYS 1 -7.889 5.321 18.151 7 HD2 LYS 1 HD2 LYS 1 -8.483 7.110 19.784 8 HD3 LYS 1 HD1 LYS 1 -10.046 7.281 18.985 9 HE2 LYS 1 HE2 LYS 1 -9.006 4.725 20.240 10 HE3 LYS 1 HE1 LYS 1 -10.185 5.807 20.979 11 HZ1 LYS 1 HZ1 LYS 1 -10.951 3.758 19.588 12 HZ2 LYS 1 HZ2 LYS 1 -10.691 4.796 18.270 13 HZ3 LYS 1 HZ3 LYS 1 -11.795 5.226 19.488 14 H ASN 2 HN ASN 2 -5.140 6.861 14.745 15 HA ASN 2 HA ASN 2 -4.987 9.636 14.337 16 HB2 ASN 2 HB2 ASN 2 -3.054 9.072 12.878 17 HB3 ASN 2 HB1 ASN 2 -3.006 8.225 14.419 18 HD21 ASN 2 HD21 ASN 2 -1.617 7.247 12.121 19 HD22 ASN 2 HD22 ASN 2 -2.346 5.792 11.636 20 HA PRO 3 HA PRO 3 -7.447 10.296 10.708 21 HB2 PRO 3 HB2 PRO 3 -6.027 12.301 9.441 22 HB3 PRO 3 HB1 PRO 3 -7.046 12.567 10.871 23 HG2 PRO 3 HG2 PRO 3 -4.084 12.181 10.713 24 HG3 PRO 3 HG1 PRO 3 -5.016 13.354 11.663 25 HD2 PRO 3 HD2 PRO 3 -4.023 11.129 12.802 26 HD3 PRO 3 HD1 PRO 3 -5.603 11.778 13.286 27 H GLU 4 HN GLU 4 -4.123 9.380 10.473 28 HA GLU 4 HA GLU 4 -3.876 9.108 7.668 29 HB2 GLU 4 HB2 GLU 4 -2.491 7.669 9.938 30 HB3 GLU 4 HB1 GLU 4 -2.048 7.481 8.239 31 HG2 GLU 4 HG2 GLU 4 -1.620 9.888 8.061 32 HG3 GLU 4 HG1 GLU 4 -2.108 10.113 9.740 33 H ALA 5 HN ALA 5 -5.731 7.388 9.928 34 HA ALA 5 HA ALA 5 -5.745 4.782 8.907 35 HB1 ALA 5 HB1 ALA 5 -6.817 5.524 11.043 36 HB2 ALA 5 HB2 ALA 5 -7.869 4.524 10.038 37 HB3 ALA 5 HB3 ALA 5 -8.098 6.272 10.090 38 H GLU 6 HN GLU 6 -7.177 7.717 7.695 39 HA GLU 6 HA GLU 6 -9.167 6.627 6.021 40 HB2 GLU 6 HB2 GLU 6 -7.499 9.140 5.749 41 HB3 GLU 6 HB1 GLU 6 -8.887 8.763 4.728 42 HG2 GLU 6 HG2 GLU 6 -8.996 8.933 7.753 43 HG3 GLU 6 HG1 GLU 6 -9.453 10.248 6.672 44 H GLU 7 HN GLU 7 -5.703 7.152 5.539 45 HA GLU 7 HA GLU 7 -5.607 6.526 2.782 46 HB2 GLU 7 HB2 GLU 7 -3.548 6.405 4.989 47 HB3 GLU 7 HB1 GLU 7 -3.163 5.958 3.326 48 HG2 GLU 7 HG2 GLU 7 -4.397 8.617 4.099 49 HG3 GLU 7 HG1 GLU 7 -2.662 8.370 3.898 50 H ILE 8 HN ILE 8 -5.461 4.512 5.675 51 HA ILE 8 HA ILE 8 -4.734 2.080 4.410 52 HB ILE 8 HB ILE 8 -6.195 2.759 6.966 53 HG12 ILE 8 HG12 ILE 8 -4.160 1.914 7.996 54 HG13 ILE 8 HG11 ILE 8 -3.544 1.384 6.434 55 HG21 ILE 8 HG21 ILE 8 -5.707 0.040 5.744 56 HG22 ILE 8 HG22 ILE 8 -7.199 0.677 6.431 57 HG23 ILE 8 HG23 ILE 8 -5.853 0.253 7.489 58 HD11 ILE 8 HD11 ILE 8 -4.248 4.267 6.982 59 HD12 ILE 8 HD12 ILE 8 -3.247 3.619 5.681 60 HD13 ILE 8 HD13 ILE 8 -2.652 3.615 7.341 61 H THR 9 HN THR 9 -7.908 3.545 5.130 62 HA THR 9 HA THR 9 -9.485 1.422 4.134 63 HB THR 9 HB THR 9 -10.093 4.386 4.243 64 HG1 THR 9 HG1 THR 9 -10.512 4.020 6.263 65 HG21 THR 9 HG21 THR 9 -11.798 1.946 3.732 66 HG22 THR 9 HG22 THR 9 -11.686 3.420 2.771 67 HG23 THR 9 HG23 THR 9 -12.485 3.450 4.342 68 H ARG 10 HN ARG 10 -8.154 4.323 2.591 69 HA ARG 10 HA ARG 10 -9.327 3.917 0.046 70 HB2 ARG 10 HB2 ARG 10 -8.334 6.065 0.765 71 HB3 ARG 10 HB1 ARG 10 -6.734 5.325 0.727 72 HG2 ARG 10 HG2 ARG 10 -6.904 4.924 -1.653 73 HG3 ARG 10 HG1 ARG 10 -8.590 5.441 -1.666 74 HD2 ARG 10 HD2 ARG 10 -7.197 7.267 -2.482 75 HD3 ARG 10 HD1 ARG 10 -7.872 7.704 -0.917 76 HE ARG 10 HE ARG 10 -5.719 7.601 0.007 77 HH11 ARG 10 HH11 ARG 10 -3.466 7.552 -0.215 78 HH12 ARG 10 HH12 ARG 10 -2.756 7.020 -1.702 79 HH21 ARG 10 HH21 ARG 10 -5.799 6.431 -3.251 80 HH22 ARG 10 HH22 ARG 10 -4.077 6.386 -3.419 81 H CYS 11 HN CYS 11 -6.291 2.860 1.497 82 HA CYS 11 HA CYS 11 -5.019 1.749 -0.709 83 HB2 CYS 11 HB2 CYS 11 -4.170 1.975 1.695 84 HB3 CYS 11 HB1 CYS 11 -5.030 0.472 2.019 85 H LYS 12 HN LYS 12 -7.402 0.264 1.478 86 HA LYS 12 HA LYS 12 -7.353 -2.275 0.289 87 HB2 LYS 12 HB2 LYS 12 -8.373 -1.806 2.501 88 HB3 LYS 12 HB1 LYS 12 -9.657 -0.909 1.701 89 HG2 LYS 12 HG2 LYS 12 -10.500 -3.120 2.183 90 HG3 LYS 12 HG1 LYS 12 -10.252 -3.020 0.444 91 HD2 LYS 12 HD2 LYS 12 -8.182 -4.272 0.604 92 HD3 LYS 12 HD1 LYS 12 -8.223 -4.200 2.364 93 HE2 LYS 12 HE2 LYS 12 -10.294 -5.547 2.353 94 HE3 LYS 12 HE1 LYS 12 -10.236 -5.610 0.590 95 HZ1 LYS 12 HZ1 LYS 12 -8.828 -7.294 0.715 96 HZ2 LYS 12 HZ2 LYS 12 -8.922 -7.263 2.411 97 HZ3 LYS 12 HZ3 LYS 12 -7.733 -6.354 1.606 98 H LYS 13 HN LYS 13 -9.326 0.580 -0.329 99 HA LYS 13 HA LYS 13 -11.029 -0.548 -2.272 100 HB2 LYS 13 HB2 LYS 13 -10.084 2.290 -1.843 101 HB3 LYS 13 HB1 LYS 13 -11.323 1.849 -3.013 102 HG2 LYS 13 HG2 LYS 13 -11.508 1.195 -0.057 103 HG3 LYS 13 HG1 LYS 13 -12.209 2.643 -0.775 104 HD2 LYS 13 HD2 LYS 13 -13.426 1.023 -2.393 105 HD3 LYS 13 HD1 LYS 13 -12.977 -0.243 -1.254 106 HE2 LYS 13 HE2 LYS 13 -14.492 2.260 -0.476 107 HE3 LYS 13 HE1 LYS 13 -15.246 0.700 -0.805 108 HZ1 LYS 13 HZ1 LYS 13 -13.536 -0.143 0.924 109 HZ2 LYS 13 HZ2 LYS 13 -14.952 0.629 1.457 110 HZ3 LYS 13 HZ3 LYS 13 -13.482 1.478 1.416 111 H LEU 14 HN LEU 14 -7.856 0.961 -2.522 112 HA LEU 14 HA LEU 14 -7.710 1.077 -5.335 113 HB2 LEU 14 HB2 LEU 14 -5.604 0.817 -3.184 114 HB3 LEU 14 HB1 LEU 14 -5.200 1.019 -4.883 115 HG LEU 14 HG LEU 14 -7.015 2.940 -3.386 116 HD11 LEU 14 HD11 LEU 14 -4.038 2.729 -3.405 117 HD12 LEU 14 HD12 LEU 14 -5.114 3.476 -2.227 118 HD13 LEU 14 HD13 LEU 14 -4.689 4.342 -3.694 119 HD21 LEU 14 HD21 LEU 14 -7.326 3.308 -5.688 120 HD22 LEU 14 HD22 LEU 14 -5.654 2.903 -6.083 121 HD23 LEU 14 HD23 LEU 14 -6.032 4.442 -5.311 122 H LEU 15 HN LEU 15 -6.817 -1.477 -3.032 123 HA LEU 15 HA LEU 15 -5.686 -3.238 -4.940 124 HB2 LEU 15 HB2 LEU 15 -6.966 -3.744 -2.247 125 HB3 LEU 15 HB1 LEU 15 -6.112 -4.976 -3.175 126 HG LEU 15 HG LEU 15 -4.889 -2.334 -2.325 127 HD11 LEU 15 HD11 LEU 15 -3.723 -3.603 -0.597 128 HD12 LEU 15 HD12 LEU 15 -4.520 -5.088 -1.119 129 HD13 LEU 15 HD13 LEU 15 -5.466 -3.788 -0.395 130 HD21 LEU 15 HD21 LEU 15 -3.891 -4.742 -3.832 131 HD22 LEU 15 HD22 LEU 15 -2.767 -3.883 -2.778 132 HD23 LEU 15 HD23 LEU 15 -3.553 -3.031 -4.099 133 H ASP 16 HN ASP 16 -8.972 -2.869 -3.678 134 HA ASP 16 HA ASP 16 -10.127 -5.098 -4.988 135 HB2 ASP 16 HB2 ASP 16 -11.294 -2.513 -3.953 136 HB3 ASP 16 HB1 ASP 16 -12.283 -3.789 -4.662 137 H ASP 17 HN ASP 17 -9.581 -1.772 -5.969 138 HA ASP 17 HA ASP 17 -11.116 -1.802 -8.342 139 HB2 ASP 17 HB2 ASP 17 -8.744 -0.143 -7.485 140 HB3 ASP 17 HB1 ASP 17 -9.598 0.116 -9.005 141 H SER 18 HN SER 18 -8.324 -3.493 -7.544 142 HA SER 18 HA SER 18 -6.813 -3.421 -9.884 143 HB2 SER 18 HB2 SER 18 -5.867 -5.533 -9.147 144 HB3 SER 18 HB1 SER 18 -6.122 -4.501 -7.740 145 HG SER 18 HG SER 18 -7.927 -5.650 -7.226 146 H SER 19 HN SER 19 -9.836 -4.868 -9.231 147 HA SER 19 HA SER 19 -9.748 -6.685 -11.497 148 HB2 SER 19 HB2 SER 19 -12.006 -5.941 -9.631 149 HB3 SER 19 HB1 SER 19 -12.108 -7.169 -10.890 150 HG SER 19 HG SER 19 -10.594 -8.371 -9.827 151 H SER 20 HN SER 20 -10.411 -3.449 -10.979 152 HA SER 20 HA SER 20 -12.372 -3.107 -13.077 153 HB2 SER 20 HB2 SER 20 -12.289 -1.588 -11.118 154 HB3 SER 20 HB1 SER 20 -10.707 -1.020 -11.648 155 HG SER 20 HG SER 20 -13.009 -0.080 -12.374 156 H1 LYS 1 HN LYS 1 -12.038 -2.135 -15.080 157 HA LYS 1 HA LYS 1 -9.474 -2.693 -16.284 158 HB2 LYS 1 HB2 LYS 1 -11.984 -1.432 -17.412 159 HB3 LYS 1 HB1 LYS 1 -10.567 -1.887 -18.360 160 HG2 LYS 1 HG2 LYS 1 -10.828 -4.228 -17.638 161 HG3 LYS 1 HG1 LYS 1 -12.245 -3.780 -16.689 162 HD2 LYS 1 HD2 LYS 1 -13.342 -2.967 -18.778 163 HD3 LYS 1 HD1 LYS 1 -11.951 -3.545 -19.698 164 HE2 LYS 1 HE2 LYS 1 -13.713 -5.278 -17.939 165 HE3 LYS 1 HE1 LYS 1 -13.809 -5.194 -19.698 166 HZ1 LYS 1 HZ1 LYS 1 -12.374 -7.010 -18.513 167 HZ2 LYS 1 HZ2 LYS 1 -11.213 -5.771 -18.463 168 HZ3 LYS 1 HZ3 LYS 1 -11.842 -6.289 -19.953 169 H ASN 2 HN ASN 2 -10.212 -0.374 -14.294 170 HA ASN 2 HA ASN 2 -9.703 2.049 -15.629 171 HB2 ASN 2 HB2 ASN 2 -9.262 2.933 -13.351 172 HB3 ASN 2 HB1 ASN 2 -10.729 1.968 -13.421 173 HD21 ASN 2 HD21 ASN 2 -9.314 2.394 -10.972 174 HD22 ASN 2 HD22 ASN 2 -8.670 0.908 -10.463 175 HA PRO 3 HA PRO 3 -5.332 1.917 -16.372 176 HB2 PRO 3 HB2 PRO 3 -4.637 4.569 -16.024 177 HB3 PRO 3 HB1 PRO 3 -5.479 3.952 -17.460 178 HG2 PRO 3 HG2 PRO 3 -6.614 5.302 -15.044 179 HG3 PRO 3 HG1 PRO 3 -6.989 5.564 -16.758 180 HD2 PRO 3 HD2 PRO 3 -8.608 4.086 -15.200 181 HD3 PRO 3 HD1 PRO 3 -8.328 3.653 -16.899 182 H GLU 4 HN GLU 4 -6.598 3.049 -13.362 183 HA GLU 4 HA GLU 4 -4.192 3.504 -11.945 184 HB2 GLU 4 HB2 GLU 4 -6.934 2.661 -10.995 185 HB3 GLU 4 HB1 GLU 4 -5.607 3.083 -9.911 186 HG2 GLU 4 HG2 GLU 4 -5.452 5.307 -10.933 187 HG3 GLU 4 HG1 GLU 4 -6.740 4.892 -12.063 188 H ALA 5 HN ALA 5 -5.577 0.652 -13.152 189 HA ALA 5 HA ALA 5 -4.844 -1.278 -11.262 190 HB1 ALA 5 HB1 ALA 5 -6.268 -1.676 -13.277 191 HB2 ALA 5 HB2 ALA 5 -4.988 -2.874 -13.079 192 HB3 ALA 5 HB3 ALA 5 -4.815 -1.588 -14.273 193 H GLU 6 HN GLU 6 -2.921 0.542 -13.525 194 HA GLU 6 HA GLU 6 -0.654 -1.127 -13.682 195 HB2 GLU 6 HB2 GLU 6 -0.924 1.885 -13.838 196 HB3 GLU 6 HB1 GLU 6 0.559 1.010 -14.217 197 HG2 GLU 6 HG2 GLU 6 -2.107 0.494 -15.565 198 HG3 GLU 6 HG1 GLU 6 -0.845 1.526 -16.237 199 H GLU 7 HN GLU 7 -1.639 1.305 -11.312 200 HA GLU 7 HA GLU 7 0.762 1.368 -9.818 201 HB2 GLU 7 HB2 GLU 7 -2.110 1.988 -9.116 202 HB3 GLU 7 HB1 GLU 7 -0.802 2.154 -7.944 203 HG2 GLU 7 HG2 GLU 7 -0.781 3.483 -10.667 204 HG3 GLU 7 HG1 GLU 7 -1.347 4.281 -9.198 205 H ILE 8 HN ILE 8 -2.070 -0.732 -9.663 206 HA ILE 8 HA ILE 8 -1.423 -2.067 -7.247 207 HB ILE 8 HB ILE 8 -3.062 -2.808 -9.675 208 HG12 ILE 8 HG12 ILE 8 -4.916 -2.568 -8.116 209 HG13 ILE 8 HG11 ILE 8 -3.803 -2.353 -6.767 210 HG21 ILE 8 HG21 ILE 8 -2.368 -4.511 -7.276 211 HG22 ILE 8 HG22 ILE 8 -2.307 -4.949 -8.982 212 HG23 ILE 8 HG23 ILE 8 -3.862 -4.754 -8.179 213 HD11 ILE 8 HD11 ILE 8 -3.784 -0.515 -9.161 214 HD12 ILE 8 HD12 ILE 8 -3.088 -0.233 -7.565 215 HD13 ILE 8 HD13 ILE 8 -4.838 -0.227 -7.781 216 H THR 9 HN THR 9 -0.616 -2.762 -10.652 217 HA THR 9 HA THR 9 0.784 -5.171 -10.177 218 HB THR 9 HB THR 9 1.171 -3.114 -12.366 219 HG1 THR 9 HG1 THR 9 -0.496 -4.030 -13.248 220 HG21 THR 9 HG21 THR 9 2.170 -5.939 -11.987 221 HG22 THR 9 HG22 THR 9 3.100 -4.496 -12.393 222 HG23 THR 9 HG23 THR 9 2.018 -5.214 -13.587 223 H ARG 10 HN ARG 10 1.837 -1.789 -10.301 224 HA ARG 10 HA ARG 10 4.599 -2.283 -9.928 225 HB2 ARG 10 HB2 ARG 10 3.691 -0.128 -10.733 226 HB3 ARG 10 HB1 ARG 10 2.993 0.159 -9.140 227 HG2 ARG 10 HG2 ARG 10 5.183 0.194 -8.114 228 HG3 ARG 10 HG1 ARG 10 5.948 -0.315 -9.621 229 HD2 ARG 10 HD2 ARG 10 6.234 2.090 -9.365 230 HD3 ARG 10 HD1 ARG 10 5.134 1.777 -10.701 231 HE ARG 10 HE ARG 10 3.387 2.704 -9.441 232 HH11 ARG 10 HH11 ARG 10 2.636 3.943 -7.703 233 HH12 ARG 10 HH12 ARG 10 3.642 4.186 -6.316 234 HH21 ARG 10 HH21 ARG 10 6.284 2.335 -7.580 235 HH22 ARG 10 HH22 ARG 10 5.706 3.277 -6.247 236 H CYS 11 HN CYS 11 1.924 -1.741 -7.694 237 HA CYS 11 HA CYS 11 3.293 -1.525 -5.285 238 HB2 CYS 11 HB2 CYS 11 0.779 -1.334 -5.731 239 HB3 CYS 11 HB1 CYS 11 0.739 -3.092 -5.604 240 H LYS 12 HN LYS 12 2.216 -4.463 -6.984 241 HA LYS 12 HA LYS 12 3.082 -6.273 -5.025 242 HB2 LYS 12 HB2 LYS 12 1.554 -6.876 -6.885 243 HB3 LYS 12 HB1 LYS 12 2.889 -6.700 -8.016 244 HG2 LYS 12 HG2 LYS 12 2.642 -9.053 -7.530 245 HG3 LYS 12 HG1 LYS 12 4.117 -8.504 -6.742 246 HD2 LYS 12 HD2 LYS 12 3.004 -8.412 -4.589 247 HD3 LYS 12 HD1 LYS 12 1.436 -8.708 -5.336 248 HE2 LYS 12 HE2 LYS 12 2.217 -10.943 -6.045 249 HE3 LYS 12 HE1 LYS 12 3.782 -10.630 -5.291 250 HZ1 LYS 12 HZ1 LYS 12 2.950 -11.253 -3.354 251 HZ2 LYS 12 HZ2 LYS 12 1.453 -11.587 -4.087 252 HZ3 LYS 12 HZ3 LYS 12 1.761 -10.045 -3.444 253 H LYS 13 HN LYS 13 4.689 -4.920 -7.860 254 HA LYS 13 HA LYS 13 7.078 -6.406 -7.684 255 HB2 LYS 13 HB2 LYS 13 6.510 -3.661 -8.813 256 HB3 LYS 13 HB1 LYS 13 8.055 -4.483 -8.997 257 HG2 LYS 13 HG2 LYS 13 5.413 -5.675 -9.891 258 HG3 LYS 13 HG1 LYS 13 6.469 -4.751 -10.956 259 HD2 LYS 13 HD2 LYS 13 8.318 -6.434 -10.268 260 HD3 LYS 13 HD1 LYS 13 7.001 -7.428 -9.652 261 HE2 LYS 13 HE2 LYS 13 7.134 -6.380 -12.489 262 HE3 LYS 13 HE1 LYS 13 7.629 -8.000 -12.003 263 HZ1 LYS 13 HZ1 LYS 13 5.281 -8.070 -10.953 264 HZ2 LYS 13 HZ2 LYS 13 5.458 -8.327 -12.623 265 HZ3 LYS 13 HZ3 LYS 13 4.938 -6.817 -12.043 266 H LEU 14 HN LEU 14 6.077 -3.387 -6.177 267 HA LEU 14 HA LEU 14 8.562 -2.672 -5.055 268 HB2 LEU 14 HB2 LEU 14 5.706 -2.139 -4.221 269 HB3 LEU 14 HB1 LEU 14 7.083 -1.428 -3.389 270 HG LEU 14 HG LEU 14 6.652 -1.146 -6.381 271 HD11 LEU 14 HD11 LEU 14 5.383 0.320 -4.111 272 HD12 LEU 14 HD12 LEU 14 4.832 0.106 -5.770 273 HD13 LEU 14 HD13 LEU 14 6.036 1.328 -5.401 274 HD21 LEU 14 HD21 LEU 14 8.886 -0.574 -5.914 275 HD22 LEU 14 HD22 LEU 14 8.488 0.094 -4.329 276 HD23 LEU 14 HD23 LEU 14 8.074 0.983 -5.795 277 H LEU 15 HN LEU 15 5.914 -4.699 -3.826 278 HA LEU 15 HA LEU 15 7.029 -5.142 -1.259 279 HB2 LEU 15 HB2 LEU 15 5.095 -6.768 -2.921 280 HB3 LEU 15 HB1 LEU 15 5.481 -7.123 -1.237 281 HG LEU 15 HG LEU 15 4.398 -4.460 -2.210 282 HD11 LEU 15 HD11 LEU 15 2.247 -5.180 -1.297 283 HD12 LEU 15 HD12 LEU 15 2.944 -6.732 -0.830 284 HD13 LEU 15 HD13 LEU 15 2.783 -6.315 -2.536 285 HD21 LEU 15 HD21 LEU 15 5.136 -5.592 0.482 286 HD22 LEU 15 HD22 LEU 15 3.787 -4.459 0.381 287 HD23 LEU 15 HD23 LEU 15 5.386 -3.966 -0.158 288 H ASP 16 HN ASP 16 7.305 -6.891 -4.322 289 HA ASP 16 HA ASP 16 8.804 -9.092 -3.362 290 HB2 ASP 16 HB2 ASP 16 8.562 -7.829 -6.094 291 HB3 ASP 16 HB1 ASP 16 9.522 -9.278 -5.794 292 H ASP 17 HN ASP 17 9.713 -5.904 -4.510 293 HA ASP 17 HA ASP 17 12.503 -6.320 -4.681 294 HB2 ASP 17 HB2 ASP 17 10.849 -3.829 -4.266 295 HB3 ASP 17 HB1 ASP 17 12.602 -3.799 -4.446 296 H SER 18 HN SER 18 10.476 -6.314 -2.000 297 HA SER 18 HA SER 18 11.951 -4.965 -0.058 298 HB2 SER 18 HB2 SER 18 10.736 -6.298 1.566 299 HB3 SER 18 HB1 SER 18 9.648 -5.889 0.242 300 HG SER 18 HG SER 18 9.873 -7.916 -0.573 301 H SER 19 HN SER 19 12.541 -7.932 -1.642 302 HA SER 19 HA SER 19 14.421 -8.915 0.343 303 HB2 SER 19 HB2 SER 19 13.736 -9.921 -2.422 304 HB3 SER 19 HB1 SER 19 14.841 -10.725 -1.311 305 HG SER 19 HG SER 19 13.169 -11.085 0.079 306 H SER 20 HN SER 20 14.466 -6.759 -2.214 307 HA SER 20 HA SER 20 17.220 -7.149 -3.010 308 HB2 SER 20 HB2 SER 20 15.522 -6.265 -4.591 309 HB3 SER 20 HB1 SER 20 15.365 -4.826 -3.587 310 HG SER 20 HG SER 20 17.067 -5.185 -5.503 311 H1 LYS 1 HN LYS 1 18.937 -5.711 -2.617 312 HA LYS 1 HA LYS 1 18.897 -4.518 0.019 313 HB2 LYS 1 HB2 LYS 1 21.064 -4.645 -2.091 314 HB3 LYS 1 HB1 LYS 1 21.286 -4.037 -0.449 315 HG2 LYS 1 HG2 LYS 1 20.606 -6.225 0.458 316 HG3 LYS 1 HG1 LYS 1 20.385 -6.838 -1.180 317 HD2 LYS 1 HD2 LYS 1 22.786 -6.350 -1.649 318 HD3 LYS 1 HD1 LYS 1 22.985 -5.860 0.034 319 HE2 LYS 1 HE2 LYS 1 22.052 -8.597 -0.882 320 HE3 LYS 1 HE1 LYS 1 23.683 -8.216 -0.330 321 HZ1 LYS 1 HZ1 LYS 1 21.924 -9.150 1.318 322 HZ2 LYS 1 HZ2 LYS 1 21.396 -7.538 1.384 323 HZ3 LYS 1 HZ3 LYS 1 22.991 -7.931 1.817 324 H ASN 2 HN ASN 2 17.555 -3.459 -2.622 325 HA ASN 2 HA ASN 2 18.690 -0.944 -3.169 326 HB2 ASN 2 HB2 ASN 2 16.498 -0.455 -4.231 327 HB3 ASN 2 HB1 ASN 2 17.130 -2.029 -4.692 328 HD21 ASN 2 HD21 ASN 2 14.340 -1.411 -4.852 329 HD22 ASN 2 HD22 ASN 2 13.519 -2.361 -3.711 330 HA PRO 3 HA PRO 3 17.489 1.517 0.321 331 HB2 PRO 3 HB2 PRO 3 17.034 3.971 -0.867 332 HB3 PRO 3 HB1 PRO 3 18.653 3.308 -0.566 333 HG2 PRO 3 HG2 PRO 3 17.040 3.267 -3.084 334 HG3 PRO 3 HG1 PRO 3 18.762 3.630 -2.857 335 HD2 PRO 3 HD2 PRO 3 17.961 1.219 -3.741 336 HD3 PRO 3 HD1 PRO 3 19.347 1.376 -2.642 337 H GLU 4 HN GLU 4 15.378 1.111 -2.386 338 HA GLU 4 HA GLU 4 13.100 2.508 -1.457 339 HB2 GLU 4 HB2 GLU 4 13.361 0.122 -3.294 340 HB3 GLU 4 HB1 GLU 4 11.841 0.967 -2.992 341 HG2 GLU 4 HG2 GLU 4 12.822 3.065 -3.796 342 HG3 GLU 4 HG1 GLU 4 14.368 2.259 -4.055 343 H ALA 5 HN ALA 5 14.615 -0.309 -0.327 344 HA ALA 5 HA ALA 5 12.481 -1.862 0.610 345 HB1 ALA 5 HB1 ALA 5 14.894 -2.537 0.588 346 HB2 ALA 5 HB2 ALA 5 14.085 -2.860 2.122 347 HB3 ALA 5 HB3 ALA 5 15.159 -1.469 1.967 348 H GLU 6 HN GLU 6 13.810 1.139 1.781 349 HA GLU 6 HA GLU 6 12.880 1.074 4.441 350 HB2 GLU 6 HB2 GLU 6 13.312 3.393 2.541 351 HB3 GLU 6 HB1 GLU 6 12.973 3.580 4.262 352 HG2 GLU 6 HG2 GLU 6 15.297 1.983 3.150 353 HG3 GLU 6 HG1 GLU 6 15.421 3.649 3.714 354 H GLU 7 HN GLU 7 11.308 2.005 1.411 355 HA GLU 7 HA GLU 7 8.940 3.071 2.528 356 HB2 GLU 7 HB2 GLU 7 9.571 1.848 -0.160 357 HB3 GLU 7 HB1 GLU 7 7.964 2.458 0.236 358 HG2 GLU 7 HG2 GLU 7 10.491 4.108 0.506 359 HG3 GLU 7 HG1 GLU 7 9.455 4.139 -0.921 360 H ILE 8 HN ILE 8 9.881 -0.219 1.669 361 HA ILE 8 HA ILE 8 7.343 -1.437 1.998 362 HB ILE 8 HB ILE 8 10.186 -2.440 2.177 363 HG12 ILE 8 HG12 ILE 8 9.581 -3.590 0.116 364 HG13 ILE 8 HG11 ILE 8 7.906 -3.070 0.276 365 HG21 ILE 8 HG21 ILE 8 7.622 -3.928 2.761 366 HG22 ILE 8 HG22 ILE 8 9.109 -3.899 3.706 367 HG23 ILE 8 HG23 ILE 8 9.058 -4.762 2.173 368 HD11 ILE 8 HD11 ILE 8 10.183 -1.098 0.125 369 HD12 ILE 8 HD12 ILE 8 8.466 -0.801 -0.150 370 HD13 ILE 8 HD13 ILE 8 9.403 -1.724 -1.324 371 H THR 9 HN THR 9 10.026 -0.857 4.275 372 HA THR 9 HA THR 9 8.850 -2.131 6.506 373 HB THR 9 HB THR 9 10.785 0.198 6.414 374 HG1 THR 9 HG1 THR 9 12.232 -1.278 6.080 375 HG21 THR 9 HG21 THR 9 9.844 -1.618 8.636 376 HG22 THR 9 HG22 THR 9 9.894 0.146 8.614 377 HG23 THR 9 HG23 THR 9 11.392 -0.779 8.712 378 H ARG 10 HN ARG 10 8.716 1.209 5.331 379 HA ARG 10 HA ARG 10 7.168 2.253 7.457 380 HB2 ARG 10 HB2 ARG 10 8.414 3.664 5.853 381 HB3 ARG 10 HB1 ARG 10 7.294 3.185 4.578 382 HG2 ARG 10 HG2 ARG 10 5.433 4.206 5.743 383 HG3 ARG 10 HG1 ARG 10 6.437 4.527 7.157 384 HD2 ARG 10 HD2 ARG 10 6.228 6.577 5.859 385 HD3 ARG 10 HD1 ARG 10 7.885 5.993 5.760 386 HE ARG 10 HE ARG 10 7.551 5.523 3.486 387 HH11 ARG 10 HH11 ARG 10 6.376 5.753 1.564 388 HH12 ARG 10 HH12 ARG 10 4.707 6.214 1.622 389 HH21 ARG 10 HH21 ARG 10 4.613 6.426 5.079 390 HH22 ARG 10 HH22 ARG 10 3.711 6.594 3.610 391 H CYS 11 HN CYS 11 6.328 0.759 4.373 392 HA CYS 11 HA CYS 11 3.584 1.191 4.313 393 HB2 CYS 11 HB2 CYS 11 5.083 0.049 2.574 394 HB3 CYS 11 HB1 CYS 11 4.861 -1.420 3.520 395 H LYS 12 HN LYS 12 5.397 -1.429 5.903 396 HA LYS 12 HA LYS 12 3.152 -2.821 6.842 397 HB2 LYS 12 HB2 LYS 12 5.447 -3.764 6.804 398 HB3 LYS 12 HB1 LYS 12 5.906 -2.653 8.089 399 HG2 LYS 12 HG2 LYS 12 5.433 -4.793 9.104 400 HG3 LYS 12 HG1 LYS 12 4.121 -3.701 9.540 401 HD2 LYS 12 HD2 LYS 12 2.666 -4.689 7.871 402 HD3 LYS 12 HD1 LYS 12 3.995 -5.635 7.205 403 HE2 LYS 12 HE2 LYS 12 4.166 -6.863 9.343 404 HE3 LYS 12 HE1 LYS 12 2.830 -5.907 9.992 405 HZ1 LYS 12 HZ1 LYS 12 1.404 -7.267 9.016 406 HZ2 LYS 12 HZ2 LYS 12 2.689 -8.219 8.441 407 HZ3 LYS 12 HZ3 LYS 12 2.083 -6.943 7.497 408 H LYS 13 HN LYS 13 5.102 -0.256 8.277 409 HA LYS 13 HA LYS 13 3.832 -0.178 10.791 410 HB2 LYS 13 HB2 LYS 13 5.260 1.962 9.205 411 HB3 LYS 13 HB1 LYS 13 4.715 2.187 10.864 412 HG2 LYS 13 HG2 LYS 13 6.581 -0.047 10.004 413 HG3 LYS 13 HG1 LYS 13 7.143 1.501 10.628 414 HD2 LYS 13 HD2 LYS 13 5.633 1.013 12.675 415 HD3 LYS 13 HD1 LYS 13 5.578 -0.643 12.076 416 HE2 LYS 13 HE2 LYS 13 8.143 0.863 12.639 417 HE3 LYS 13 HE1 LYS 13 7.396 -0.285 13.750 418 HZ1 LYS 13 HZ1 LYS 13 7.449 -1.834 11.694 419 HZ2 LYS 13 HZ2 LYS 13 8.862 -1.608 12.610 420 HZ3 LYS 13 HZ3 LYS 13 8.657 -0.780 11.141 421 H LEU 14 HN LEU 14 3.085 1.404 7.736 422 HA LEU 14 HA LEU 14 1.052 3.118 8.675 423 HB2 LEU 14 HB2 LEU 14 1.554 1.805 6.000 424 HB3 LEU 14 HB1 LEU 14 0.260 2.968 6.255 425 HG LEU 14 HG LEU 14 3.163 3.568 6.915 426 HD11 LEU 14 HD11 LEU 14 1.747 3.582 4.289 427 HD12 LEU 14 HD12 LEU 14 3.468 3.463 4.649 428 HD13 LEU 14 HD13 LEU 14 2.680 5.033 4.656 429 HD21 LEU 14 HD21 LEU 14 1.832 5.166 8.013 430 HD22 LEU 14 HD22 LEU 14 0.605 5.167 6.744 431 HD23 LEU 14 HD23 LEU 14 2.157 5.958 6.474 432 H LEU 15 HN LEU 15 0.953 -0.231 7.490 433 HA LEU 15 HA LEU 15 -1.866 -0.506 7.572 434 HB2 LEU 15 HB2 LEU 15 0.363 -2.541 7.766 435 HB3 LEU 15 HB1 LEU 15 -1.340 -2.966 7.611 436 HG LEU 15 HG LEU 15 0.154 -1.201 5.647 437 HD11 LEU 15 HD11 LEU 15 0.239 -3.145 4.183 438 HD12 LEU 15 HD12 LEU 15 -0.603 -4.122 5.386 439 HD13 LEU 15 HD13 LEU 15 1.027 -3.531 5.713 440 HD21 LEU 15 HD21 LEU 15 -2.653 -2.284 5.813 441 HD22 LEU 15 HD22 LEU 15 -1.915 -2.080 4.224 442 HD23 LEU 15 HD23 LEU 15 -2.093 -0.693 5.289 443 H ASP 16 HN ASP 16 0.669 -1.144 9.959 444 HA ASP 16 HA ASP 16 -0.981 -2.297 11.952 445 HB2 ASP 16 HB2 ASP 16 1.670 -0.855 12.083 446 HB3 ASP 16 HB1 ASP 16 0.894 -1.558 13.503 447 H ASP 17 HN ASP 17 -0.126 1.019 11.179 448 HA ASP 17 HA ASP 17 -1.186 2.255 13.488 449 HB2 ASP 17 HB2 ASP 17 -0.703 3.269 10.686 450 HB3 ASP 17 HB1 ASP 17 -1.289 4.299 11.990 451 H SER 18 HN SER 18 -2.738 0.595 11.009 452 HA SER 18 HA SER 18 -5.044 2.092 10.554 453 HB2 SER 18 HB2 SER 18 -6.069 0.004 9.847 454 HB3 SER 18 HB1 SER 18 -4.394 0.028 9.304 455 HG SER 18 HG SER 18 -3.844 -1.329 10.950 456 H SER 19 HN SER 19 -4.034 0.341 13.307 457 HA SER 19 HA SER 19 -6.685 0.151 14.482 458 HB2 SER 19 HB2 SER 19 -3.952 -0.451 15.619 459 HB3 SER 19 HB1 SER 19 -5.469 -0.727 16.469 460 HG SER 19 HG SER 19 -6.038 -2.222 14.944 461 H SER 20 HN SER 20 -4.288 2.471 14.225 462 HA SER 20 HA SER 20 -4.780 3.823 16.735 463 HB2 SER 20 HB2 SER 20 -2.578 3.942 15.585 464 HB3 SER 20 HB1 SER 20 -3.340 4.830 14.269 465 HG SER 20 HG SER 20 -2.346 5.839 16.434 466 H2 ZBR 100 HA3 TBS 100 -1.552 0.504 -1.832 467 H4 ZBR 100 HC3 TBS 100 0.615 1.080 1.865 468 H6 ZBR 100 HB3 TBS 100 2.667 -0.428 -1.633 469 H7 ZBR 100 HB11 TBS 100 1.113 0.259 -3.925 470 H7A ZBR 100 HB12 TBS 100 -0.494 -0.443 -3.698 471 H8 ZBR 100 HA11 TBS 100 -2.184 2.259 0.281 472 H8A ZBR 100 HA12 TBS 100 -1.686 1.513 1.804 473 H9 ZBR 100 HC11 TBS 100 3.373 1.239 1.276 474 H9A ZBR 100 HC12 TBS 100 3.845 -0.209 0.378 Start of MODEL 20 1 H1 LYS 1 HN LYS 1 -6.249 4.665 17.078 2 HA LYS 1 HA LYS 1 -8.417 5.206 15.258 3 HB2 LYS 1 HB2 LYS 1 -7.707 6.322 17.976 4 HB3 LYS 1 HB1 LYS 1 -9.158 6.773 17.079 5 HG2 LYS 1 HG2 LYS 1 -9.876 4.421 17.031 6 HG3 LYS 1 HG1 LYS 1 -8.420 3.952 17.908 7 HD2 LYS 1 HD2 LYS 1 -9.100 5.371 19.808 8 HD3 LYS 1 HD1 LYS 1 -10.560 5.839 18.935 9 HE2 LYS 1 HE2 LYS 1 -11.293 3.491 18.876 10 HE3 LYS 1 HE1 LYS 1 -9.827 3.005 19.730 11 HZ1 LYS 1 HZ1 LYS 1 -12.030 4.713 20.735 12 HZ2 LYS 1 HZ2 LYS 1 -10.531 4.580 21.524 13 HZ3 LYS 1 HZ3 LYS 1 -11.522 3.212 21.338 14 H ASN 2 HN ASN 2 -5.428 6.124 14.987 15 HA ASN 2 HA ASN 2 -5.406 8.928 14.967 16 HB2 ASN 2 HB2 ASN 2 -3.434 8.653 13.430 17 HB3 ASN 2 HB1 ASN 2 -3.340 7.678 14.891 18 HD21 ASN 2 HD21 ASN 2 -1.891 6.995 12.526 19 HD22 ASN 2 HD22 ASN 2 -2.531 5.548 11.912 20 HA PRO 3 HA PRO 3 -7.791 10.027 11.401 21 HB2 PRO 3 HB2 PRO 3 -6.343 12.177 10.423 22 HB3 PRO 3 HB1 PRO 3 -7.412 12.261 11.837 23 HG2 PRO 3 HG2 PRO 3 -4.442 11.922 11.737 24 HG3 PRO 3 HG1 PRO 3 -5.424 12.954 12.797 25 HD2 PRO 3 HD2 PRO 3 -4.440 10.626 13.681 26 HD3 PRO 3 HD1 PRO 3 -6.049 11.175 14.181 27 H GLU 4 HN GLU 4 -4.459 9.166 11.116 28 HA GLU 4 HA GLU 4 -4.177 9.234 8.297 29 HB2 GLU 4 HB2 GLU 4 -2.785 7.567 10.399 30 HB3 GLU 4 HB1 GLU 4 -2.310 7.615 8.701 31 HG2 GLU 4 HG2 GLU 4 -1.944 10.032 8.844 32 HG3 GLU 4 HG1 GLU 4 -2.476 10.029 10.525 33 H ALA 5 HN ALA 5 -6.031 7.251 10.325 34 HA ALA 5 HA ALA 5 -5.962 4.761 9.043 35 HB1 ALA 5 HB1 ALA 5 -7.988 4.276 10.175 36 HB2 ALA 5 HB2 ALA 5 -8.458 5.975 10.226 37 HB3 ALA 5 HB3 ALA 5 -7.129 5.397 11.232 38 H GLU 6 HN GLU 6 -7.491 7.765 8.128 39 HA GLU 6 HA GLU 6 -9.389 6.787 6.297 40 HB2 GLU 6 HB2 GLU 6 -7.841 9.379 6.444 41 HB3 GLU 6 HB1 GLU 6 -9.081 9.080 5.227 42 HG2 GLU 6 HG2 GLU 6 -10.204 10.194 7.004 43 HG3 GLU 6 HG1 GLU 6 -10.642 8.500 7.177 44 H GLU 7 HN GLU 7 -5.939 7.483 5.977 45 HA GLU 7 HA GLU 7 -5.774 7.211 3.173 46 HB2 GLU 7 HB2 GLU 7 -3.960 8.207 4.503 47 HB3 GLU 7 HB1 GLU 7 -3.659 6.648 5.270 48 HG2 GLU 7 HG2 GLU 7 -2.070 7.034 3.430 49 HG3 GLU 7 HG1 GLU 7 -3.111 5.667 3.059 50 H ILE 8 HN ILE 8 -5.583 4.869 5.803 51 HA ILE 8 HA ILE 8 -4.767 2.631 4.282 52 HB ILE 8 HB ILE 8 -6.259 2.964 6.886 53 HG12 ILE 8 HG12 ILE 8 -4.216 2.106 7.840 54 HG13 ILE 8 HG11 ILE 8 -3.595 1.656 6.254 55 HG21 ILE 8 HG21 ILE 8 -7.224 0.943 6.118 56 HG22 ILE 8 HG22 ILE 8 -5.856 0.414 7.098 57 HG23 ILE 8 HG23 ILE 8 -5.733 0.425 5.339 58 HD11 ILE 8 HD11 ILE 8 -3.307 3.940 5.620 59 HD12 ILE 8 HD12 ILE 8 -2.672 3.819 7.262 60 HD13 ILE 8 HD13 ILE 8 -4.268 4.511 6.981 61 H THR 9 HN THR 9 -7.979 3.938 5.053 62 HA THR 9 HA THR 9 -9.500 1.872 3.895 63 HB THR 9 HB THR 9 -10.119 4.827 4.128 64 HG1 THR 9 HG1 THR 9 -10.359 4.332 6.134 65 HG21 THR 9 HG21 THR 9 -11.651 3.944 2.547 66 HG22 THR 9 HG22 THR 9 -12.512 3.897 4.086 67 HG23 THR 9 HG23 THR 9 -11.803 2.422 3.426 68 H ARG 10 HN ARG 10 -8.144 4.853 2.519 69 HA ARG 10 HA ARG 10 -9.240 4.555 -0.074 70 HB2 ARG 10 HB2 ARG 10 -8.248 6.665 0.757 71 HB3 ARG 10 HB1 ARG 10 -6.654 5.910 0.738 72 HG2 ARG 10 HG2 ARG 10 -6.793 5.566 -1.668 73 HG3 ARG 10 HG1 ARG 10 -8.448 6.174 -1.691 74 HD2 ARG 10 HD2 ARG 10 -6.962 7.954 -2.411 75 HD3 ARG 10 HD1 ARG 10 -7.606 8.362 -0.824 76 HE ARG 10 HE ARG 10 -5.135 6.990 -0.527 77 HH11 ARG 10 HH11 ARG 10 -3.291 8.226 -0.027 78 HH12 ARG 10 HH12 ARG 10 -3.295 9.932 -0.307 79 HH21 ARG 10 HH21 ARG 10 -6.516 9.986 -1.580 80 HH22 ARG 10 HH22 ARG 10 -5.115 10.927 -1.190 81 H CYS 11 HN CYS 11 -6.205 3.462 1.384 82 HA CYS 11 HA CYS 11 -4.982 2.413 -0.909 83 HB2 CYS 11 HB2 CYS 11 -3.977 2.722 1.407 84 HB3 CYS 11 HB1 CYS 11 -4.775 1.214 1.849 85 H LYS 12 HN LYS 12 -7.290 0.991 1.352 86 HA LYS 12 HA LYS 12 -7.262 -1.641 0.351 87 HB2 LYS 12 HB2 LYS 12 -8.306 -1.006 2.498 88 HB3 LYS 12 HB1 LYS 12 -9.557 -0.127 1.621 89 HG2 LYS 12 HG2 LYS 12 -10.278 -2.204 0.522 90 HG3 LYS 12 HG1 LYS 12 -8.995 -3.095 1.342 91 HD2 LYS 12 HD2 LYS 12 -9.985 -2.553 3.520 92 HD3 LYS 12 HD1 LYS 12 -11.245 -1.605 2.728 93 HE2 LYS 12 HE2 LYS 12 -12.097 -3.841 3.271 94 HE3 LYS 12 HE1 LYS 12 -11.995 -3.640 1.522 95 HZ1 LYS 12 HZ1 LYS 12 -10.904 -5.674 2.939 96 HZ2 LYS 12 HZ2 LYS 12 -9.575 -4.646 2.691 97 HZ3 LYS 12 HZ3 LYS 12 -10.463 -5.228 1.364 98 H LYS 13 HN LYS 13 -9.178 1.203 -0.534 99 HA LYS 13 HA LYS 13 -10.896 -0.049 -2.377 100 HB2 LYS 13 HB2 LYS 13 -11.211 2.262 -1.508 101 HB3 LYS 13 HB1 LYS 13 -9.833 2.787 -2.475 102 HG2 LYS 13 HG2 LYS 13 -10.988 2.070 -4.532 103 HG3 LYS 13 HG1 LYS 13 -12.359 1.516 -3.570 104 HD2 LYS 13 HD2 LYS 13 -12.719 3.812 -2.749 105 HD3 LYS 13 HD1 LYS 13 -11.341 4.370 -3.699 106 HE2 LYS 13 HE2 LYS 13 -13.397 4.833 -4.927 107 HE3 LYS 13 HE1 LYS 13 -12.490 3.574 -5.766 108 HZ1 LYS 13 HZ1 LYS 13 -14.983 3.369 -4.243 109 HZ2 LYS 13 HZ2 LYS 13 -13.933 2.035 -4.243 110 HZ3 LYS 13 HZ3 LYS 13 -14.549 2.634 -5.707 111 H LEU 14 HN LEU 14 -7.685 1.408 -2.772 112 HA LEU 14 HA LEU 14 -7.529 1.178 -5.578 113 HB2 LEU 14 HB2 LEU 14 -5.408 1.215 -3.425 114 HB3 LEU 14 HB1 LEU 14 -5.020 1.223 -5.142 115 HG LEU 14 HG LEU 14 -6.842 3.271 -3.835 116 HD11 LEU 14 HD11 LEU 14 -4.993 4.775 -3.702 117 HD12 LEU 14 HD12 LEU 14 -3.951 3.694 -4.624 118 HD13 LEU 14 HD13 LEU 14 -4.425 3.270 -2.984 119 HD21 LEU 14 HD21 LEU 14 -5.650 2.892 -6.578 120 HD22 LEU 14 HD22 LEU 14 -5.949 4.526 -5.994 121 HD23 LEU 14 HD23 LEU 14 -7.279 3.385 -6.130 122 H LEU 15 HN LEU 15 -6.590 -1.060 -2.987 123 HA LEU 15 HA LEU 15 -5.431 -3.014 -4.682 124 HB2 LEU 15 HB2 LEU 15 -6.686 -3.201 -1.937 125 HB3 LEU 15 HB1 LEU 15 -5.814 -4.526 -2.706 126 HG LEU 15 HG LEU 15 -4.633 -1.773 -2.229 127 HD11 LEU 15 HD11 LEU 15 -3.341 -2.962 -0.409 128 HD12 LEU 15 HD12 LEU 15 -4.457 -4.316 -0.596 129 HD13 LEU 15 HD13 LEU 15 -5.058 -2.741 -0.075 130 HD21 LEU 15 HD21 LEU 15 -3.300 -2.712 -3.897 131 HD22 LEU 15 HD22 LEU 15 -3.588 -4.365 -3.354 132 HD23 LEU 15 HD23 LEU 15 -2.486 -3.319 -2.461 133 H ASP 16 HN ASP 16 -8.709 -2.580 -3.414 134 HA ASP 16 HA ASP 16 -9.801 -4.975 -4.465 135 HB2 ASP 16 HB2 ASP 16 -11.052 -2.354 -3.641 136 HB3 ASP 16 HB1 ASP 16 -12.001 -3.731 -4.200 137 H ASP 17 HN ASP 17 -9.434 -1.734 -5.763 138 HA ASP 17 HA ASP 17 -11.011 -2.074 -8.087 139 HB2 ASP 17 HB2 ASP 17 -8.735 -0.199 -7.433 140 HB3 ASP 17 HB1 ASP 17 -9.623 -0.133 -8.953 141 H SER 18 HN SER 18 -8.102 -3.503 -7.191 142 HA SER 18 HA SER 18 -6.648 -3.574 -9.566 143 HB2 SER 18 HB2 SER 18 -5.583 -5.575 -8.652 144 HB3 SER 18 HB1 SER 18 -5.792 -4.372 -7.383 145 HG SER 18 HG SER 18 -7.520 -6.560 -7.937 146 H SER 19 HN SER 19 -9.550 -5.160 -8.674 147 HA SER 19 HA SER 19 -9.388 -7.179 -10.748 148 HB2 SER 19 HB2 SER 19 -11.571 -7.888 -9.994 149 HB3 SER 19 HB1 SER 19 -10.557 -7.597 -8.584 150 HG SER 19 HG SER 19 -11.517 -5.456 -8.546 151 H SER 20 HN SER 20 -10.258 -3.953 -10.564 152 HA SER 20 HA SER 20 -12.268 -3.975 -12.646 153 HB2 SER 20 HB2 SER 20 -12.320 -2.267 -10.869 154 HB3 SER 20 HB1 SER 20 -10.768 -1.648 -11.420 155 HG SER 20 HG SER 20 -13.060 -1.886 -13.074 156 H1 LYS 1 HN LYS 1 -12.034 -3.303 -14.757 157 HA LYS 1 HA LYS 1 -9.429 -3.690 -15.929 158 HB2 LYS 1 HB2 LYS 1 -12.106 -2.931 -17.110 159 HB3 LYS 1 HB1 LYS 1 -10.647 -3.171 -18.070 160 HG2 LYS 1 HG2 LYS 1 -10.451 -5.471 -17.224 161 HG3 LYS 1 HG1 LYS 1 -11.896 -5.239 -16.239 162 HD2 LYS 1 HD2 LYS 1 -13.224 -4.825 -18.276 163 HD3 LYS 1 HD1 LYS 1 -11.781 -5.058 -19.264 164 HE2 LYS 1 HE2 LYS 1 -11.568 -7.363 -18.428 165 HE3 LYS 1 HE1 LYS 1 -12.995 -7.136 -17.417 166 HZ1 LYS 1 HZ1 LYS 1 -12.853 -7.123 -20.377 167 HZ2 LYS 1 HZ2 LYS 1 -14.215 -6.591 -19.511 168 HZ3 LYS 1 HZ3 LYS 1 -13.702 -8.206 -19.384 169 H ASN 2 HN ASN 2 -10.407 -1.255 -14.203 170 HA ASN 2 HA ASN 2 -10.204 1.041 -15.796 171 HB2 ASN 2 HB2 ASN 2 -9.681 2.199 -13.623 172 HB3 ASN 2 HB1 ASN 2 -11.110 1.173 -13.561 173 HD21 ASN 2 HD21 ASN 2 -9.646 1.874 -11.208 174 HD22 ASN 2 HD22 ASN 2 -8.927 0.465 -10.593 175 HA PRO 3 HA PRO 3 -5.895 1.339 -16.771 176 HB2 PRO 3 HB2 PRO 3 -5.487 4.075 -16.585 177 HB3 PRO 3 HB1 PRO 3 -6.292 3.281 -17.953 178 HG2 PRO 3 HG2 PRO 3 -7.507 4.644 -15.583 179 HG3 PRO 3 HG1 PRO 3 -7.965 4.736 -17.296 180 HD2 PRO 3 HD2 PRO 3 -9.345 3.203 -15.589 181 HD3 PRO 3 HD1 PRO 3 -9.063 2.671 -17.254 182 H GLU 4 HN GLU 4 -7.121 2.509 -13.762 183 HA GLU 4 HA GLU 4 -4.696 3.268 -12.509 184 HB2 GLU 4 HB2 GLU 4 -7.303 2.260 -11.364 185 HB3 GLU 4 HB1 GLU 4 -5.972 2.879 -10.388 186 HG2 GLU 4 HG2 GLU 4 -6.078 5.029 -11.552 187 HG3 GLU 4 HG1 GLU 4 -7.359 4.420 -12.598 188 H ALA 5 HN ALA 5 -5.868 0.245 -13.495 189 HA ALA 5 HA ALA 5 -4.918 -1.499 -11.520 190 HB1 ALA 5 HB1 ALA 5 -5.117 -3.216 -13.136 191 HB2 ALA 5 HB2 ALA 5 -4.816 -2.107 -14.474 192 HB3 ALA 5 HB3 ALA 5 -6.341 -2.031 -13.590 193 H GLU 6 HN GLU 6 -3.228 0.300 -13.992 194 HA GLU 6 HA GLU 6 -0.833 -1.173 -14.086 195 HB2 GLU 6 HB2 GLU 6 -1.449 1.755 -14.520 196 HB3 GLU 6 HB1 GLU 6 0.158 1.075 -14.770 197 HG2 GLU 6 HG2 GLU 6 -0.882 1.019 -16.907 198 HG3 GLU 6 HG1 GLU 6 -0.971 -0.634 -16.314 199 H GLU 7 HN GLU 7 -1.976 1.337 -11.875 200 HA GLU 7 HA GLU 7 0.460 1.754 -10.513 201 HB2 GLU 7 HB2 GLU 7 -1.443 3.293 -10.289 202 HB3 GLU 7 HB1 GLU 7 -2.374 2.034 -9.479 203 HG2 GLU 7 HG2 GLU 7 -1.374 3.569 -7.836 204 HG3 GLU 7 HG1 GLU 7 -0.688 1.959 -7.661 205 H ILE 8 HN ILE 8 -2.153 -0.570 -10.050 206 HA ILE 8 HA ILE 8 -1.287 -1.655 -7.587 207 HB ILE 8 HB ILE 8 -2.970 -2.706 -9.864 208 HG12 ILE 8 HG12 ILE 8 -4.763 -2.491 -8.259 209 HG13 ILE 8 HG11 ILE 8 -3.627 -2.192 -6.946 210 HG21 ILE 8 HG21 ILE 8 -2.002 -4.729 -9.103 211 HG22 ILE 8 HG22 ILE 8 -3.509 -4.610 -8.196 212 HG23 ILE 8 HG23 ILE 8 -1.980 -4.188 -7.427 213 HD11 ILE 8 HD11 ILE 8 -3.036 -0.051 -7.822 214 HD12 ILE 8 HD12 ILE 8 -4.795 -0.137 -7.926 215 HD13 ILE 8 HD13 ILE 8 -3.813 -0.392 -9.367 216 H THR 9 HN THR 9 -0.515 -2.484 -10.954 217 HA THR 9 HA THR 9 1.041 -4.766 -10.417 218 HB THR 9 HB THR 9 1.295 -2.739 -12.653 219 HG1 THR 9 HG1 THR 9 -0.462 -3.658 -13.282 220 HG21 THR 9 HG21 THR 9 3.317 -3.984 -12.634 221 HG22 THR 9 HG22 THR 9 2.298 -4.787 -13.829 222 HG23 THR 9 HG23 THR 9 2.483 -5.481 -12.219 223 H ARG 10 HN ARG 10 1.902 -1.327 -10.618 224 HA ARG 10 HA ARG 10 4.688 -1.655 -10.238 225 HB2 ARG 10 HB2 ARG 10 3.655 0.441 -11.054 226 HB3 ARG 10 HB1 ARG 10 2.944 0.696 -9.460 227 HG2 ARG 10 HG2 ARG 10 5.153 0.813 -8.442 228 HG3 ARG 10 HG1 ARG 10 5.916 0.415 -9.982 229 HD2 ARG 10 HD2 ARG 10 6.051 2.815 -9.652 230 HD3 ARG 10 HD1 ARG 10 4.919 2.486 -10.959 231 HE ARG 10 HE ARG 10 3.510 2.650 -8.497 232 HH11 ARG 10 HH11 ARG 10 2.353 4.560 -8.065 233 HH12 ARG 10 HH12 ARG 10 2.718 6.005 -8.940 234 HH21 ARG 10 HH21 ARG 10 5.242 4.553 -10.816 235 HH22 ARG 10 HH22 ARG 10 4.353 6.004 -10.493 236 H CYS 11 HN CYS 11 2.001 -1.187 -7.983 237 HA CYS 11 HA CYS 11 3.474 -0.928 -5.615 238 HB2 CYS 11 HB2 CYS 11 0.985 -0.569 -5.950 239 HB3 CYS 11 HB1 CYS 11 0.811 -2.319 -5.838 240 H LYS 12 HN LYS 12 2.330 -3.789 -7.337 241 HA LYS 12 HA LYS 12 3.036 -5.717 -5.408 242 HB2 LYS 12 HB2 LYS 12 1.591 -6.196 -7.353 243 HB3 LYS 12 HB1 LYS 12 2.980 -5.997 -8.422 244 HG2 LYS 12 HG2 LYS 12 4.131 -7.861 -7.312 245 HG3 LYS 12 HG1 LYS 12 2.783 -8.040 -6.189 246 HD2 LYS 12 HD2 LYS 12 1.279 -8.575 -8.053 247 HD3 LYS 12 HD1 LYS 12 2.599 -8.345 -9.202 248 HE2 LYS 12 HE2 LYS 12 2.314 -10.734 -8.724 249 HE3 LYS 12 HE1 LYS 12 3.859 -10.171 -8.088 250 HZ1 LYS 12 HZ1 LYS 12 1.965 -11.500 -6.677 251 HZ2 LYS 12 HZ2 LYS 12 1.694 -9.884 -6.226 252 HZ3 LYS 12 HZ3 LYS 12 3.227 -10.585 -6.008 253 H LYS 13 HN LYS 13 4.853 -4.273 -8.083 254 HA LYS 13 HA LYS 13 7.161 -5.870 -7.887 255 HB2 LYS 13 HB2 LYS 13 6.675 -4.332 -9.781 256 HB3 LYS 13 HB1 LYS 13 6.991 -2.961 -8.718 257 HG2 LYS 13 HG2 LYS 13 9.289 -3.766 -8.341 258 HG3 LYS 13 HG1 LYS 13 8.975 -5.157 -9.379 259 HD2 LYS 13 HD2 LYS 13 8.547 -3.649 -11.281 260 HD3 LYS 13 HD1 LYS 13 8.847 -2.253 -10.246 261 HE2 LYS 13 HE2 LYS 13 10.870 -2.749 -11.513 262 HE3 LYS 13 HE1 LYS 13 11.148 -3.123 -9.812 263 HZ1 LYS 13 HZ1 LYS 13 10.824 -4.941 -12.088 264 HZ2 LYS 13 HZ2 LYS 13 10.293 -5.461 -10.560 265 HZ3 LYS 13 HZ3 LYS 13 11.915 -5.018 -10.792 266 H LEU 14 HN LEU 14 6.240 -2.856 -6.260 267 HA LEU 14 HA LEU 14 8.683 -2.406 -4.923 268 HB2 LEU 14 HB2 LEU 14 5.834 -1.646 -4.258 269 HB3 LEU 14 HB1 LEU 14 7.211 -1.090 -3.314 270 HG LEU 14 HG LEU 14 6.968 -0.671 -6.313 271 HD11 LEU 14 HD11 LEU 14 6.154 1.536 -5.902 272 HD12 LEU 14 HD12 LEU 14 6.455 1.406 -4.171 273 HD13 LEU 14 HD13 LEU 14 5.158 0.476 -4.909 274 HD21 LEU 14 HD21 LEU 14 8.889 0.215 -4.165 275 HD22 LEU 14 HD22 LEU 14 8.609 1.267 -5.550 276 HD23 LEU 14 HD23 LEU 14 9.227 -0.360 -5.794 277 H LEU 15 HN LEU 15 5.785 -4.227 -3.972 278 HA LEU 15 HA LEU 15 6.673 -4.859 -1.355 279 HB2 LEU 15 HB2 LEU 15 4.728 -6.231 -3.220 280 HB3 LEU 15 HB1 LEU 15 4.954 -6.691 -1.535 281 HG LEU 15 HG LEU 15 4.209 -3.895 -2.442 282 HD11 LEU 15 HD11 LEU 15 1.930 -4.499 -1.573 283 HD12 LEU 15 HD12 LEU 15 2.474 -6.173 -1.452 284 HD13 LEU 15 HD13 LEU 15 2.396 -5.381 -3.027 285 HD21 LEU 15 HD21 LEU 15 5.071 -3.606 -0.296 286 HD22 LEU 15 HD22 LEU 15 4.603 -5.222 0.232 287 HD23 LEU 15 HD23 LEU 15 3.389 -3.954 0.087 288 H ASP 16 HN ASP 16 6.974 -6.538 -4.458 289 HA ASP 16 HA ASP 16 8.221 -8.880 -3.462 290 HB2 ASP 16 HB2 ASP 16 8.201 -7.582 -6.186 291 HB3 ASP 16 HB1 ASP 16 9.016 -9.112 -5.863 292 H ASP 17 HN ASP 17 9.461 -5.785 -4.563 293 HA ASP 17 HA ASP 17 12.206 -6.466 -4.600 294 HB2 ASP 17 HB2 ASP 17 10.773 -3.824 -4.300 295 HB3 ASP 17 HB1 ASP 17 12.529 -3.958 -4.389 296 H SER 18 HN SER 18 10.053 -6.217 -2.031 297 HA SER 18 HA SER 18 11.567 -5.014 -0.025 298 HB2 SER 18 HB2 SER 18 10.143 -6.235 1.543 299 HB3 SER 18 HB1 SER 18 9.178 -5.620 0.205 300 HG SER 18 HG SER 18 10.243 -8.244 0.475 301 H SER 19 HN SER 19 11.894 -8.064 -1.549 302 HA SER 19 HA SER 19 13.552 -9.218 0.530 303 HB2 SER 19 HB2 SER 19 13.765 -11.128 -0.931 304 HB3 SER 19 HB1 SER 19 12.080 -10.617 -0.926 305 HG SER 19 HG SER 19 12.612 -9.402 -2.856 306 H SER 20 HN SER 20 13.982 -7.092 -2.018 307 HA SER 20 HA SER 20 16.720 -7.786 -2.646 308 HB2 SER 20 HB2 SER 20 15.243 -6.753 -4.340 309 HB3 SER 20 HB1 SER 20 15.149 -5.296 -3.355 310 HG SER 20 HG SER 20 17.556 -6.458 -4.317 311 H1 LYS 1 HN LYS 1 18.565 -6.704 -2.027 312 HA LYS 1 HA LYS 1 18.467 -5.393 0.536 313 HB2 LYS 1 HB2 LYS 1 20.740 -5.982 -1.367 314 HB3 LYS 1 HB1 LYS 1 20.953 -5.219 0.210 315 HG2 LYS 1 HG2 LYS 1 19.928 -7.170 1.305 316 HG3 LYS 1 HG1 LYS 1 19.694 -7.936 -0.266 317 HD2 LYS 1 HD2 LYS 1 22.133 -7.917 -0.642 318 HD3 LYS 1 HD1 LYS 1 22.369 -7.153 0.930 319 HE2 LYS 1 HE2 LYS 1 21.346 -9.099 2.041 320 HE3 LYS 1 HE1 LYS 1 21.088 -9.865 0.472 321 HZ1 LYS 1 HZ1 LYS 1 23.675 -9.209 1.761 322 HZ2 LYS 1 HZ2 LYS 1 23.540 -9.670 0.131 323 HZ3 LYS 1 HZ3 LYS 1 23.076 -10.745 1.362 324 H ASN 2 HN ASN 2 17.514 -4.244 -2.226 325 HA ASN 2 HA ASN 2 19.028 -1.946 -2.754 326 HB2 ASN 2 HB2 ASN 2 16.930 -1.127 -3.877 327 HB3 ASN 2 HB1 ASN 2 17.411 -2.751 -4.357 328 HD21 ASN 2 HD21 ASN 2 14.719 -1.847 -4.618 329 HD22 ASN 2 HD22 ASN 2 13.754 -2.726 -3.532 330 HA PRO 3 HA PRO 3 18.075 0.801 0.587 331 HB2 PRO 3 HB2 PRO 3 17.943 3.233 -0.731 332 HB3 PRO 3 HB1 PRO 3 19.460 2.400 -0.340 333 HG2 PRO 3 HG2 PRO 3 17.936 2.428 -2.914 334 HG3 PRO 3 HG1 PRO 3 19.683 2.580 -2.636 335 HD2 PRO 3 HD2 PRO 3 18.619 0.257 -3.438 336 HD3 PRO 3 HD1 PRO 3 19.966 0.283 -2.288 337 H GLU 4 HN GLU 4 15.984 0.530 -2.147 338 HA GLU 4 HA GLU 4 13.873 2.228 -1.319 339 HB2 GLU 4 HB2 GLU 4 13.880 -0.229 -3.079 340 HB3 GLU 4 HB1 GLU 4 12.481 0.820 -2.854 341 HG2 GLU 4 HG2 GLU 4 13.752 2.739 -3.695 342 HG3 GLU 4 HG1 GLU 4 15.187 1.730 -3.872 343 H ALA 5 HN ALA 5 15.027 -0.701 -0.064 344 HA ALA 5 HA ALA 5 12.705 -1.982 0.837 345 HB1 ALA 5 HB1 ALA 5 14.110 -3.199 2.301 346 HB2 ALA 5 HB2 ALA 5 15.276 -1.881 2.411 347 HB3 ALA 5 HB3 ALA 5 15.132 -2.809 0.918 348 H GLU 6 HN GLU 6 14.349 0.865 2.012 349 HA GLU 6 HA GLU 6 13.301 0.971 4.620 350 HB2 GLU 6 HB2 GLU 6 14.175 3.120 2.681 351 HB3 GLU 6 HB1 GLU 6 13.663 3.480 4.329 352 HG2 GLU 6 HG2 GLU 6 16.029 3.272 4.442 353 HG3 GLU 6 HG1 GLU 6 15.409 1.759 5.085 354 H GLU 7 HN GLU 7 11.987 1.999 1.504 355 HA GLU 7 HA GLU 7 9.748 3.400 2.500 356 HB2 GLU 7 HB2 GLU 7 10.479 3.598 0.162 357 HB3 GLU 7 HB1 GLU 7 10.054 1.911 -0.120 358 HG2 GLU 7 HG2 GLU 7 8.261 3.402 -0.908 359 HG3 GLU 7 HG1 GLU 7 7.689 2.414 0.430 360 H ILE 8 HN ILE 8 10.276 -0.004 1.735 361 HA ILE 8 HA ILE 8 7.603 -0.889 2.013 362 HB ILE 8 HB ILE 8 10.295 -2.237 2.274 363 HG12 ILE 8 HG12 ILE 8 9.623 -3.329 0.224 364 HG13 ILE 8 HG11 ILE 8 7.983 -2.703 0.365 365 HG21 ILE 8 HG21 ILE 8 9.035 -3.516 3.823 366 HG22 ILE 8 HG22 ILE 8 8.883 -4.404 2.306 367 HG23 ILE 8 HG23 ILE 8 7.561 -3.378 2.868 368 HD11 ILE 8 HD11 ILE 8 8.694 -0.469 -0.075 369 HD12 ILE 8 HD12 ILE 8 9.534 -1.471 -1.258 370 HD13 ILE 8 HD13 ILE 8 10.389 -0.886 0.166 371 H THR 9 HN THR 9 10.245 -0.523 4.359 372 HA THR 9 HA THR 9 8.926 -1.660 6.572 373 HB THR 9 HB THR 9 10.982 0.563 6.483 374 HG1 THR 9 HG1 THR 9 12.234 -1.020 5.976 375 HG21 THR 9 HG21 THR 9 10.010 0.630 8.646 376 HG22 THR 9 HG22 THR 9 11.461 -0.358 8.830 377 HG23 THR 9 HG23 THR 9 9.876 -1.126 8.727 378 H ARG 10 HN ARG 10 8.996 1.667 5.328 379 HA ARG 10 HA ARG 10 7.438 2.829 7.385 380 HB2 ARG 10 HB2 ARG 10 8.771 4.147 5.772 381 HB3 ARG 10 HB1 ARG 10 7.662 3.671 4.485 382 HG2 ARG 10 HG2 ARG 10 5.807 4.767 5.614 383 HG3 ARG 10 HG1 ARG 10 6.829 5.140 7.001 384 HD2 ARG 10 HD2 ARG 10 6.658 7.123 5.611 385 HD3 ARG 10 HD1 ARG 10 8.296 6.491 5.498 386 HE ARG 10 HE ARG 10 6.709 5.402 3.408 387 HH11 ARG 10 HH11 ARG 10 6.971 6.267 1.320 388 HH12 ARG 10 HH12 ARG 10 7.710 7.817 1.116 389 HH21 ARG 10 HH21 ARG 10 8.186 8.335 4.508 390 HH22 ARG 10 HH22 ARG 10 8.394 8.989 2.917 391 H CYS 11 HN CYS 11 6.590 1.340 4.289 392 HA CYS 11 HA CYS 11 3.845 1.902 4.286 393 HB2 CYS 11 HB2 CYS 11 5.234 0.918 2.406 394 HB3 CYS 11 HB1 CYS 11 5.085 -0.633 3.229 395 H LYS 12 HN LYS 12 5.674 -0.738 5.750 396 HA LYS 12 HA LYS 12 3.493 -2.306 6.600 397 HB2 LYS 12 HB2 LYS 12 5.832 -3.105 6.591 398 HB3 LYS 12 HB1 LYS 12 6.210 -1.990 7.903 399 HG2 LYS 12 HG2 LYS 12 4.576 -3.111 9.356 400 HG3 LYS 12 HG1 LYS 12 4.138 -4.200 8.040 401 HD2 LYS 12 HD2 LYS 12 6.425 -5.090 7.991 402 HD3 LYS 12 HD1 LYS 12 6.902 -3.971 9.268 403 HE2 LYS 12 HE2 LYS 12 6.417 -6.180 10.224 404 HE3 LYS 12 HE1 LYS 12 5.226 -5.004 10.778 405 HZ1 LYS 12 HZ1 LYS 12 4.669 -7.380 9.594 406 HZ2 LYS 12 HZ2 LYS 12 4.492 -6.277 8.315 407 HZ3 LYS 12 HZ3 LYS 12 3.593 -6.078 9.743 408 H LYS 13 HN LYS 13 5.227 0.368 8.143 409 HA LYS 13 HA LYS 13 3.941 0.271 10.643 410 HB2 LYS 13 HB2 LYS 13 5.969 1.630 10.154 411 HB3 LYS 13 HB1 LYS 13 4.973 2.723 9.193 412 HG2 LYS 13 HG2 LYS 13 3.592 3.225 11.171 413 HG3 LYS 13 HG1 LYS 13 4.564 2.114 12.135 414 HD2 LYS 13 HD2 LYS 13 6.567 3.487 11.709 415 HD3 LYS 13 HD1 LYS 13 5.602 4.596 10.734 416 HE2 LYS 13 HE2 LYS 13 5.847 5.515 12.982 417 HE3 LYS 13 HE1 LYS 13 4.167 5.042 12.726 418 HZ1 LYS 13 HZ1 LYS 13 6.214 3.798 14.413 419 HZ2 LYS 13 HZ2 LYS 13 5.028 2.800 13.721 420 HZ3 LYS 13 HZ3 LYS 13 4.575 4.082 14.738 421 H LEU 14 HN LEU 14 3.095 1.934 7.625 422 HA LEU 14 HA LEU 14 0.880 3.372 8.614 423 HB2 LEU 14 HB2 LEU 14 1.553 2.327 5.858 424 HB3 LEU 14 HB1 LEU 14 0.156 3.350 6.172 425 HG LEU 14 HG LEU 14 2.994 4.129 6.925 426 HD11 LEU 14 HD11 LEU 14 3.126 5.424 4.921 427 HD12 LEU 14 HD12 LEU 14 1.429 5.145 4.541 428 HD13 LEU 14 HD13 LEU 14 2.586 3.826 4.415 429 HD21 LEU 14 HD21 LEU 14 0.304 5.488 6.975 430 HD22 LEU 14 HD22 LEU 14 1.751 6.459 6.720 431 HD23 LEU 14 HD23 LEU 14 1.583 5.504 8.185 432 H LEU 15 HN LEU 15 1.123 0.132 7.180 433 HA LEU 15 HA LEU 15 -1.663 -0.398 7.162 434 HB2 LEU 15 HB2 LEU 15 0.748 -2.222 7.260 435 HB3 LEU 15 HB1 LEU 15 -0.902 -2.794 7.022 436 HG LEU 15 HG LEU 15 0.445 -0.729 5.255 437 HD11 LEU 15 HD11 LEU 15 0.595 -2.623 3.607 438 HD12 LEU 15 HD12 LEU 15 0.141 -3.724 4.910 439 HD13 LEU 15 HD13 LEU 15 1.646 -2.808 5.011 440 HD21 LEU 15 HD21 LEU 15 -1.840 -0.442 4.878 441 HD22 LEU 15 HD22 LEU 15 -2.225 -2.126 5.233 442 HD23 LEU 15 HD23 LEU 15 -1.477 -1.695 3.698 443 H ASP 16 HN ASP 16 0.886 -1.027 9.540 444 HA ASP 16 HA ASP 16 -0.714 -2.462 11.386 445 HB2 ASP 16 HB2 ASP 16 1.845 -0.893 11.696 446 HB3 ASP 16 HB1 ASP 16 1.094 -1.768 13.030 447 H ASP 17 HN ASP 17 -0.029 0.956 10.958 448 HA ASP 17 HA ASP 17 -1.220 1.884 13.351 449 HB2 ASP 17 HB2 ASP 17 -0.683 3.222 10.696 450 HB3 ASP 17 HB1 ASP 17 -1.365 4.075 12.080 451 H SER 18 HN SER 18 -2.588 0.438 10.644 452 HA SER 18 HA SER 18 -4.957 1.858 10.269 453 HB2 SER 18 HB2 SER 18 -5.850 -0.216 9.331 454 HB3 SER 18 HB1 SER 18 -4.187 0.014 8.801 455 HG SER 18 HG SER 18 -5.077 -1.595 10.965 456 H SER 19 HN SER 19 -3.948 -0.171 12.837 457 HA SER 19 HA SER 19 -6.615 -0.622 13.877 458 HB2 SER 19 HB2 SER 19 -5.533 -1.800 15.682 459 HB3 SER 19 HB1 SER 19 -4.766 -2.280 14.171 460 HG SER 19 HG SER 19 -3.159 -0.666 14.630 461 H SER 20 HN SER 20 -4.342 1.838 13.991 462 HA SER 20 HA SER 20 -5.018 2.863 16.611 463 HB2 SER 20 HB2 SER 20 -2.775 3.236 15.667 464 HB3 SER 20 HB1 SER 20 -3.484 4.166 14.351 465 HG SER 20 HG SER 20 -3.754 4.748 17.119 466 H2 ZBR 100 HA3 TBS 100 -1.362 1.175 -2.044 467 H4 ZBR 100 HC3 TBS 100 0.802 1.754 1.665 468 H6 ZBR 100 HB3 TBS 100 2.864 0.248 -1.833 469 H7 ZBR 100 HB11 TBS 100 1.292 0.963 -4.130 470 H7A ZBR 100 HB12 TBS 100 -0.301 0.232 -3.902 471 H8 ZBR 100 HA11 TBS 100 -1.961 2.961 0.120 472 H8A ZBR 100 HA12 TBS 100 -1.509 2.127 1.611 473 H9 ZBR 100 HC11 TBS 100 3.614 1.922 0.978 474 H9A ZBR 100 HC12 TBS 100 4.003 0.378 0.210
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