NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
611856 | 2nb0 | 25957 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.528 -0.550 -1.981 3 HB1 ALA 1 1HB ALA 1 2.692 1.396 -2.746 4 HB2 ALA 1 2HB ALA 1 1.322 1.924 -1.768 5 HB3 ALA 1 3HB ALA 1 2.951 1.952 -1.093 6 H LYS 2 H LYS 2 3.283 -1.569 -2.834 7 HA LYS 2 HA LYS 2 5.787 -1.611 -1.336 8 HB2 LYS 2 2HB LYS 2 3.928 -3.899 -1.636 9 HB3 LYS 2 3HB LYS 2 5.632 -4.243 -1.903 10 HG2 LYS 2 2HG LYS 2 5.132 -2.662 0.496 11 HG3 LYS 2 3HG LYS 2 4.359 -4.249 0.517 12 HD2 LYS 2 2HD LYS 2 7.222 -3.985 -0.310 13 HD3 LYS 2 3HD LYS 2 6.792 -3.987 1.402 14 HE2 LYS 2 2HE LYS 2 7.092 -6.224 1.107 15 HE3 LYS 2 3HE LYS 2 5.391 -6.113 0.656 16 HZ1 LYS 2 3HZ LYS 2 5.960 -6.136 -1.631 17 HZ2 LYS 2 1HZ LYS 2 6.811 -7.407 -0.907 18 HZ3 LYS 2 2HZ LYS 2 7.612 -5.971 -1.305 19 H TYR 3 H TYR 3 4.483 -3.683 -3.911 20 HA TYR 3 HA TYR 3 6.316 -2.426 -5.821 21 HB2 TYR 3 2HB TYR 3 6.849 -4.892 -4.616 22 HB3 TYR 3 3HB TYR 3 6.228 -5.297 -6.212 23 HD1 TYR 3 HD1 TYR 3 7.430 -4.607 -8.227 24 HD2 TYR 3 HD2 TYR 3 8.965 -3.757 -4.351 25 HE1 TYR 3 HE1 TYR 3 9.628 -4.111 -9.213 26 HE2 TYR 3 HE2 TYR 3 11.167 -3.258 -5.326 27 HH TYR 3 HH TYR 3 11.678 -2.651 -8.500 28 H THR 4 H THR 4 5.831 -2.987 -8.069 29 HA THR 4 HA THR 4 2.946 -3.241 -8.449 30 HB THR 4 HB THR 4 5.049 -2.514 -10.496 31 HG1 THR 4 HG1 THR 4 3.286 -0.681 -9.260 32 HG21 THR 4 3HG2 THR 4 3.092 -3.247 -11.614 33 HG22 THR 4 1HG2 THR 4 3.022 -1.485 -11.623 34 HG23 THR 4 2HG2 THR 4 2.039 -2.401 -10.481 35 H GLY 5 H GLY 5 2.116 -5.167 -8.909 36 HA2 GLY 5 2HA GLY 5 3.767 -7.053 -10.477 37 HA3 GLY 5 3HA GLY 5 2.707 -7.569 -9.173 38 H LYS 6 H LYS 6 2.424 -8.774 -11.564 39 HA LYS 6 HA LYS 6 -0.236 -7.888 -12.360 40 HB2 LYS 6 2HB LYS 6 0.830 -8.594 -14.800 41 HB3 LYS 6 3HB LYS 6 0.531 -6.950 -14.249 42 HG2 LYS 6 2HG LYS 6 2.788 -6.685 -13.555 43 HG3 LYS 6 3HG LYS 6 3.125 -8.401 -13.792 44 HD2 LYS 6 2HD LYS 6 3.678 -8.027 -15.912 45 HD3 LYS 6 3HD LYS 6 2.094 -7.312 -16.222 46 HE2 LYS 6 2HE LYS 6 3.879 -5.746 -16.768 47 HE3 LYS 6 3HE LYS 6 2.911 -5.152 -15.420 48 HZ1 LYS 6 3HZ LYS 6 5.180 -6.730 -14.615 49 HZ2 LYS 6 1HZ LYS 6 4.652 -5.225 -14.048 50 HZ3 LYS 6 2HZ LYS 6 5.604 -5.317 -15.444 51 H CYS 7 H CYS 7 -1.589 -9.555 -12.642 52 HA CYS 7 HA CYS 7 -0.415 -12.245 -12.916 53 HB2 CYS 7 2HB CYS 7 -1.480 -12.861 -11.052 54 HB3 CYS 7 3HB CYS 7 -2.075 -11.216 -10.855 55 H THR 8 H THR 8 -1.352 -13.658 -14.343 56 HA THR 8 HA THR 8 -3.276 -12.471 -16.212 57 HB THR 8 HB THR 8 -1.255 -13.248 -17.280 58 HG1 THR 8 HG1 THR 8 -3.325 -13.654 -18.324 59 HG21 THR 8 3HG2 THR 8 -1.468 -16.075 -16.973 60 HG22 THR 8 1HG2 THR 8 -1.408 -15.339 -15.372 61 HG23 THR 8 2HG2 THR 8 -0.125 -15.018 -16.539 62 H LYS 9 H LYS 9 -5.330 -13.065 -16.092 63 HA LYS 9 HA LYS 9 -6.343 -14.982 -14.343 64 HB2 LYS 9 2HB LYS 9 -8.446 -14.792 -15.745 65 HB3 LYS 9 3HB LYS 9 -7.813 -13.283 -15.101 66 HG2 LYS 9 2HG LYS 9 -6.706 -13.836 -17.704 67 HG3 LYS 9 3HG LYS 9 -8.471 -13.843 -17.743 68 HD2 LYS 9 2HD LYS 9 -8.053 -11.649 -16.245 69 HD3 LYS 9 3HD LYS 9 -6.587 -11.625 -17.228 70 HE2 LYS 9 2HE LYS 9 -9.227 -12.059 -18.549 71 HE3 LYS 9 3HE LYS 9 -8.773 -10.430 -18.048 72 HZ1 LYS 9 3HZ LYS 9 -6.674 -10.768 -19.328 73 HZ2 LYS 9 1HZ LYS 9 -8.074 -10.710 -20.277 74 HZ3 LYS 9 2HZ LYS 9 -7.337 -12.196 -19.948 75 H SER 10 H SER 10 -4.939 -15.356 -17.446 76 HA SER 10 HA SER 10 -6.215 -17.720 -18.295 77 HB2 SER 10 2HB SER 10 -4.947 -16.505 -19.907 78 HB3 SER 10 3HB SER 10 -3.497 -16.551 -18.905 79 HG SER 10 HG SER 10 -3.219 -18.664 -19.382 80 H LYS 11 H LYS 11 -3.280 -17.173 -16.386 81 HA LYS 11 HA LYS 11 -3.174 -20.054 -15.805 82 HB2 LYS 11 2HB LYS 11 -1.157 -18.715 -16.761 83 HB3 LYS 11 3HB LYS 11 -0.990 -18.113 -15.117 84 HG2 LYS 11 2HG LYS 11 0.393 -19.897 -14.972 85 HG3 LYS 11 3HG LYS 11 -1.122 -20.707 -14.565 86 HD2 LYS 11 2HD LYS 11 -1.347 -21.210 -17.044 87 HD3 LYS 11 3HD LYS 11 0.331 -20.686 -17.201 88 HE2 LYS 11 2HE LYS 11 1.001 -22.389 -15.566 89 HE3 LYS 11 3HE LYS 11 -0.675 -22.918 -15.438 90 HZ1 LYS 11 3HZ LYS 11 1.158 -23.926 -17.153 91 HZ2 LYS 11 1HZ LYS 11 0.301 -22.851 -18.140 92 HZ3 LYS 11 2HZ LYS 11 -0.519 -24.081 -17.318 93 H ASN 12 H ASN 12 -4.371 -17.277 -14.532 94 HA ASN 12 HA ASN 12 -4.961 -16.558 -12.451 95 HB2 ASN 12 2HB ASN 12 -5.693 -19.225 -12.714 96 HB3 ASN 12 3HB ASN 12 -4.895 -19.162 -11.145 97 HD21 ASN 12 2HD2 ASN 12 -7.884 -18.168 -9.736 98 HD22 ASN 12 1HD2 ASN 12 -6.561 -19.278 -9.779 99 H GLU 13 H GLU 13 -2.256 -16.318 -12.885 100 HA GLU 13 HA GLU 13 -1.234 -16.645 -10.164 101 HB2 GLU 13 2HB GLU 13 0.938 -17.432 -10.974 102 HB3 GLU 13 3HB GLU 13 -0.346 -18.550 -11.415 103 HG2 GLU 13 2HG GLU 13 0.228 -18.411 -13.541 104 HG3 GLU 13 3HG GLU 13 -0.027 -16.667 -13.521 105 H CYS 14 H CYS 14 0.509 -15.204 -9.637 106 HA CYS 14 HA CYS 14 0.678 -12.880 -11.443 107 HB2 CYS 14 2HB CYS 14 -0.624 -12.659 -9.205 108 HB3 CYS 14 3HB CYS 14 0.972 -12.654 -8.462 109 H LYS 15 H LYS 15 2.656 -11.739 -11.497 110 HA LYS 15 HA LYS 15 4.946 -12.806 -10.083 111 HB2 LYS 15 2HB LYS 15 6.191 -13.521 -11.945 112 HB3 LYS 15 3HB LYS 15 4.591 -14.208 -12.194 113 HG2 LYS 15 2HG LYS 15 5.572 -11.667 -13.477 114 HG3 LYS 15 3HG LYS 15 5.603 -13.258 -14.242 115 HD2 LYS 15 2HD LYS 15 3.020 -13.137 -13.452 116 HD3 LYS 15 3HD LYS 15 3.345 -11.428 -13.754 117 HE2 LYS 15 2HE LYS 15 3.751 -11.768 -15.999 118 HE3 LYS 15 3HE LYS 15 4.188 -13.460 -15.771 119 HZ1 LYS 15 3HZ LYS 15 1.676 -13.593 -15.045 120 HZ2 LYS 15 1HZ LYS 15 2.135 -13.709 -16.669 121 HZ3 LYS 15 2HZ LYS 15 1.546 -12.246 -16.059 122 H TYR 16 H TYR 16 6.585 -11.337 -9.871 123 HA TYR 16 HA TYR 16 6.545 -8.907 -11.482 124 HB2 TYR 16 2HB TYR 16 6.485 -7.419 -9.589 125 HB3 TYR 16 3HB TYR 16 5.087 -8.485 -9.495 126 HD1 TYR 16 HD1 TYR 16 7.777 -7.109 -7.696 127 HD2 TYR 16 HD2 TYR 16 5.442 -10.650 -8.033 128 HE1 TYR 16 HE1 TYR 16 8.428 -7.749 -5.412 129 HE2 TYR 16 HE2 TYR 16 6.086 -11.299 -5.750 130 HH TYR 16 HH TYR 16 7.898 -10.854 -4.153 131 H LYS 17 H LYS 17 8.456 -7.482 -10.906 132 HA LYS 17 HA LYS 17 10.807 -9.175 -10.732 133 HB2 LYS 17 2HB LYS 17 10.534 -7.357 -12.456 134 HB3 LYS 17 3HB LYS 17 10.689 -6.187 -11.153 135 HG2 LYS 17 2HG LYS 17 12.860 -8.024 -10.994 136 HG3 LYS 17 3HG LYS 17 12.734 -7.423 -12.649 137 HD2 LYS 17 2HD LYS 17 13.028 -5.203 -11.991 138 HD3 LYS 17 3HD LYS 17 12.611 -5.548 -10.311 139 HE2 LYS 17 2HE LYS 17 14.722 -6.064 -9.792 140 HE3 LYS 17 3HE LYS 17 14.914 -7.067 -11.229 141 HZ1 LYS 17 3HZ LYS 17 16.393 -5.411 -11.674 142 HZ2 LYS 17 1HZ LYS 17 15.509 -4.223 -10.854 143 HZ3 LYS 17 2HZ LYS 17 15.015 -4.737 -12.388 144 H ASN 18 H ASN 18 12.021 -9.422 -8.973 145 HA ASN 18 HA ASN 18 11.570 -7.592 -6.711 146 HB2 ASN 18 2HB ASN 18 12.669 -9.623 -5.445 147 HB3 ASN 18 3HB ASN 18 10.961 -9.658 -5.873 148 HD21 ASN 18 2HD2 ASN 18 13.470 -12.433 -7.265 149 HD22 ASN 18 1HD2 ASN 18 13.905 -11.242 -6.091 150 H SER 19 H SER 19 13.620 -7.853 -5.131 151 HA SER 19 HA SER 19 15.720 -6.476 -6.414 152 HB2 SER 19 2HB SER 19 14.983 -6.607 -3.872 153 HB3 SER 19 3HB SER 19 16.200 -7.882 -3.820 154 HG SER 19 HG SER 19 17.749 -6.432 -4.407 155 H ALA 20 H ALA 20 15.277 -9.850 -5.522 156 HA ALA 20 HA ALA 20 17.893 -10.757 -5.939 157 HB1 ALA 20 1HB ALA 20 15.711 -11.934 -5.010 158 HB2 ALA 20 2HB ALA 20 15.631 -12.537 -6.666 159 HB3 ALA 20 3HB ALA 20 17.056 -12.860 -5.678 160 H GLY 21 H GLY 21 15.334 -9.987 -8.182 161 HA2 GLY 21 2HA GLY 21 15.671 -9.485 -10.455 162 HA3 GLY 21 3HA GLY 21 17.213 -10.325 -10.390 163 H LYS 22 H LYS 22 15.628 -12.560 -8.956 164 HA LYS 22 HA LYS 22 15.109 -14.060 -11.362 165 HB2 LYS 22 2HB LYS 22 16.206 -14.975 -9.262 166 HB3 LYS 22 3HB LYS 22 14.611 -14.948 -8.522 167 HG2 LYS 22 2HG LYS 22 14.584 -16.281 -11.092 168 HG3 LYS 22 3HG LYS 22 15.729 -17.020 -9.969 169 HD2 LYS 22 2HD LYS 22 13.645 -16.710 -8.318 170 HD3 LYS 22 3HD LYS 22 12.774 -16.855 -9.846 171 HE2 LYS 22 2HE LYS 22 13.830 -18.975 -10.297 172 HE3 LYS 22 3HE LYS 22 14.851 -18.812 -8.870 173 HZ1 LYS 22 3HZ LYS 22 13.273 -19.762 -7.669 174 HZ2 LYS 22 1HZ LYS 22 12.303 -19.938 -9.044 175 HZ3 LYS 22 2HZ LYS 22 12.172 -18.548 -8.089 176 H ASP 23 H ASP 23 13.243 -13.903 -12.404 177 HA ASP 23 HA ASP 23 10.916 -12.720 -11.452 178 HB2 ASP 23 2HB ASP 23 9.814 -14.065 -13.366 179 HB3 ASP 23 3HB ASP 23 11.065 -12.897 -13.780 180 H THR 24 H THR 24 9.475 -13.351 -10.001 181 HA THR 24 HA THR 24 9.263 -16.223 -9.383 182 HB THR 24 HB THR 24 10.026 -14.878 -7.485 183 HG1 THR 24 HG1 THR 24 8.880 -16.442 -6.593 184 HG21 THR 24 3HG2 THR 24 8.664 -13.162 -6.494 185 HG22 THR 24 1HG2 THR 24 7.372 -13.449 -7.659 186 HG23 THR 24 2HG2 THR 24 8.906 -12.762 -8.194 187 H PHE 25 H PHE 25 7.396 -17.239 -9.746 188 HA PHE 25 HA PHE 25 4.968 -15.619 -10.129 189 HB2 PHE 25 2HB PHE 25 4.292 -17.252 -11.905 190 HB3 PHE 25 3HB PHE 25 5.692 -16.273 -12.328 191 HD1 PHE 25 HD1 PHE 25 4.454 -19.612 -11.657 192 HD2 PHE 25 HD2 PHE 25 7.941 -17.268 -12.339 193 HE1 PHE 25 HE1 PHE 25 5.733 -21.660 -12.130 194 HE2 PHE 25 HE2 PHE 25 9.226 -19.312 -12.814 195 HZ PHE 25 HZ PHE 25 8.122 -21.511 -12.711 196 H ILE 26 H ILE 26 3.131 -16.378 -9.208 197 HA ILE 26 HA ILE 26 3.097 -19.094 -8.123 198 HB ILE 26 HB ILE 26 3.919 -17.685 -6.292 199 HG12 ILE 26 2HG1 ILE 26 1.049 -18.496 -5.796 200 HG13 ILE 26 3HG1 ILE 26 2.384 -19.639 -5.892 201 HG21 ILE 26 1HG2 ILE 26 1.330 -16.256 -6.067 202 HG22 ILE 26 2HG2 ILE 26 2.949 -15.752 -5.584 203 HG23 ILE 26 3HG2 ILE 26 2.476 -15.688 -7.281 204 HD11 ILE 26 3HD1 ILE 26 1.961 -19.234 -3.602 205 HD12 ILE 26 1HD1 ILE 26 3.457 -18.392 -4.005 206 HD13 ILE 26 2HD1 ILE 26 1.952 -17.487 -3.844 207 H LYS 27 H LYS 27 1.152 -20.051 -8.264 208 HA LYS 27 HA LYS 27 -1.022 -18.523 -9.454 209 HB2 LYS 27 2HB LYS 27 -2.019 -20.633 -9.987 210 HB3 LYS 27 3HB LYS 27 -0.306 -20.745 -10.369 211 HG2 LYS 27 2HG LYS 27 -0.067 -21.784 -8.030 212 HG3 LYS 27 3HG LYS 27 -1.816 -22.003 -8.113 213 HD2 LYS 27 2HD LYS 27 -1.680 -23.550 -9.801 214 HD3 LYS 27 3HD LYS 27 -0.162 -22.897 -10.422 215 HE2 LYS 27 2HE LYS 27 -0.265 -24.203 -7.731 216 HE3 LYS 27 3HE LYS 27 -0.163 -25.183 -9.193 217 HZ1 LYS 27 3HZ LYS 27 2.028 -24.891 -8.906 218 HZ2 LYS 27 1HZ LYS 27 1.844 -23.512 -7.943 219 HZ3 LYS 27 2HZ LYS 27 1.764 -23.384 -9.628 220 H CYS 28 H CYS 28 -3.127 -18.447 -8.608 221 HA CYS 28 HA CYS 28 -3.312 -19.057 -5.730 222 HB2 CYS 28 2HB CYS 28 -4.752 -16.826 -7.174 223 HB3 CYS 28 3HB CYS 28 -4.703 -17.112 -5.438 224 HA PRO 29 HA PRO 29 -6.789 -21.594 -6.623 225 HB2 PRO 29 2HB PRO 29 -8.113 -21.419 -4.259 226 HB3 PRO 29 3HB PRO 29 -6.620 -22.344 -4.457 227 HG2 PRO 29 2HG PRO 29 -7.011 -19.595 -3.337 228 HG3 PRO 29 3HG PRO 29 -5.985 -20.912 -2.738 229 HD2 PRO 29 2HD PRO 29 -5.002 -18.836 -4.173 230 HD3 PRO 29 3HD PRO 29 -4.312 -20.469 -4.262 231 H LYS 30 H LYS 30 -9.345 -21.394 -5.710 232 HA LYS 30 HA LYS 30 -10.274 -18.908 -6.979 233 HB2 LYS 30 2HB LYS 30 -11.204 -21.708 -7.041 234 HB3 LYS 30 3HB LYS 30 -12.476 -20.500 -6.923 235 HG2 LYS 30 2HG LYS 30 -12.148 -19.751 -9.021 236 HG3 LYS 30 3HG LYS 30 -10.399 -19.982 -8.947 237 HD2 LYS 30 2HD LYS 30 -11.994 -22.455 -8.901 238 HD3 LYS 30 3HD LYS 30 -12.088 -21.528 -10.400 239 HE2 LYS 30 2HE LYS 30 -10.279 -22.936 -10.767 240 HE3 LYS 30 3HE LYS 30 -9.515 -21.438 -10.239 241 HZ1 LYS 30 3HZ LYS 30 -10.129 -23.678 -8.398 242 HZ2 LYS 30 1HZ LYS 30 -9.158 -22.327 -8.093 243 HZ3 LYS 30 2HZ LYS 30 -8.641 -23.510 -9.186 244 H PHE 31 H PHE 31 -9.633 -19.787 -4.032 245 HA PHE 31 HA PHE 31 -12.175 -19.252 -2.744 246 HB2 PHE 31 2HB PHE 31 -10.062 -20.766 -1.993 247 HB3 PHE 31 3HB PHE 31 -9.696 -19.276 -1.128 248 HD1 PHE 31 HD1 PHE 31 -10.514 -19.064 1.000 249 HD2 PHE 31 HD2 PHE 31 -12.610 -21.518 -1.775 250 HE1 PHE 31 HE1 PHE 31 -12.104 -19.699 2.767 251 HE2 PHE 31 HE2 PHE 31 -14.204 -22.155 -0.013 252 HZ PHE 31 HZ PHE 31 -13.953 -21.246 2.262 253 H ASP 32 H ASP 32 -12.032 -17.653 -0.809 254 HA ASP 32 HA ASP 32 -11.769 -15.066 -1.850 255 HB2 ASP 32 2HB ASP 32 -12.329 -16.253 0.800 256 HB3 ASP 32 3HB ASP 32 -11.694 -14.610 0.821 257 H ASN 33 H ASN 33 -10.339 -13.346 -1.164 258 HA ASN 33 HA ASN 33 -8.252 -12.446 -1.024 259 HB2 ASN 33 2HB ASN 33 -8.671 -13.202 1.354 260 HB3 ASN 33 3HB ASN 33 -7.713 -14.634 0.988 261 HD21 ASN 33 2HD2 ASN 33 -5.357 -12.395 2.543 262 HD22 ASN 33 1HD2 ASN 33 -6.691 -13.413 2.955 263 H LYS 34 H LYS 34 -8.746 -14.786 -2.851 264 HA LYS 34 HA LYS 34 -5.960 -15.194 -3.572 265 HB2 LYS 34 2HB LYS 34 -7.808 -17.386 -2.712 266 HB3 LYS 34 3HB LYS 34 -6.614 -17.709 -3.962 267 HG2 LYS 34 2HG LYS 34 -5.231 -18.200 -2.291 268 HG3 LYS 34 3HG LYS 34 -5.132 -16.459 -2.019 269 HD2 LYS 34 2HD LYS 34 -6.434 -16.541 -0.163 270 HD3 LYS 34 3HD LYS 34 -7.431 -17.855 -0.791 271 HE2 LYS 34 2HE LYS 34 -5.654 -19.449 -0.319 272 HE3 LYS 34 3HE LYS 34 -4.615 -18.145 0.252 273 HZ1 LYS 34 3HZ LYS 34 -7.143 -19.086 1.489 274 HZ2 LYS 34 1HZ LYS 34 -6.314 -17.695 1.981 275 HZ3 LYS 34 2HZ LYS 34 -5.583 -19.213 2.130 276 H LYS 35 H LYS 35 -8.109 -13.695 -4.727 277 HA LYS 35 HA LYS 35 -8.939 -15.222 -7.065 278 HB2 LYS 35 2HB LYS 35 -10.464 -13.511 -7.509 279 HB3 LYS 35 3HB LYS 35 -10.416 -13.561 -5.752 280 HG2 LYS 35 2HG LYS 35 -8.859 -11.664 -5.753 281 HG3 LYS 35 3HG LYS 35 -8.956 -11.602 -7.515 282 HD2 LYS 35 2HD LYS 35 -10.461 -9.960 -6.731 283 HD3 LYS 35 3HD LYS 35 -11.462 -11.328 -7.225 284 HE2 LYS 35 2HE LYS 35 -12.201 -11.684 -5.138 285 HE3 LYS 35 3HE LYS 35 -10.604 -11.438 -4.432 286 HZ1 LYS 35 3HZ LYS 35 -11.365 -8.953 -5.261 287 HZ2 LYS 35 1HZ LYS 35 -11.411 -9.529 -3.671 288 HZ3 LYS 35 2HZ LYS 35 -12.793 -9.615 -4.642 289 H CYS 36 H CYS 36 -8.561 -14.449 -9.226 290 HA CYS 36 HA CYS 36 -6.105 -12.838 -9.471 291 HB2 CYS 36 2HB CYS 36 -6.263 -15.484 -10.067 292 HB3 CYS 36 3HB CYS 36 -6.687 -14.777 -11.622 293 H THR 37 H THR 37 -6.076 -11.243 -10.974 294 HA THR 37 HA THR 37 -8.353 -11.026 -12.816 295 HB THR 37 HB THR 37 -7.426 -8.450 -11.750 296 HG1 THR 37 HG1 THR 37 -8.975 -10.164 -10.080 297 HG21 THR 37 3HG2 THR 37 -9.309 -8.110 -12.959 298 HG22 THR 37 1HG2 THR 37 -10.108 -8.508 -11.439 299 HG23 THR 37 2HG2 THR 37 -9.909 -9.744 -12.681 300 H LYS 38 H LYS 38 -7.789 -8.715 -14.077 301 HA LYS 38 HA LYS 38 -5.876 -9.360 -15.949 302 HB2 LYS 38 2HB LYS 38 -7.620 -7.213 -15.485 303 HB3 LYS 38 3HB LYS 38 -6.024 -6.488 -15.624 304 HG2 LYS 38 2HG LYS 38 -6.069 -6.704 -17.824 305 HG3 LYS 38 3HG LYS 38 -6.369 -8.439 -17.688 306 HD2 LYS 38 2HD LYS 38 -8.233 -7.711 -18.850 307 HD3 LYS 38 3HD LYS 38 -8.813 -7.709 -17.182 308 HE2 LYS 38 2HE LYS 38 -8.486 -5.338 -17.012 309 HE3 LYS 38 3HE LYS 38 -7.697 -5.287 -18.588 310 HZ1 LYS 38 3HZ LYS 38 -10.152 -4.612 -18.413 311 HZ2 LYS 38 1HZ LYS 38 -10.464 -6.273 -18.333 312 HZ3 LYS 38 2HZ LYS 38 -9.687 -5.623 -19.687 313 H ASP 39 H ASP 39 -3.753 -8.661 -16.365 314 HA ASP 39 HA ASP 39 -1.964 -8.765 -14.259 315 HB2 ASP 39 2HB ASP 39 -0.409 -7.540 -15.997 316 HB3 ASP 39 3HB ASP 39 -0.958 -9.187 -16.292 317 H ASN 40 H ASN 40 -2.926 -5.853 -16.084 318 HA ASN 40 HA ASN 40 -1.700 -4.135 -14.107 319 HB2 ASN 40 2HB ASN 40 -3.463 -3.227 -16.375 320 HB3 ASN 40 3HB ASN 40 -2.166 -2.343 -15.576 321 HD21 ASN 40 2HD2 ASN 40 0.251 -4.693 -17.194 322 HD22 ASN 40 1HD2 ASN 40 -0.271 -4.451 -15.564 323 H ASN 41 H ASN 41 -4.525 -5.796 -14.202 324 HA ASN 41 HA ASN 41 -6.567 -4.079 -13.549 325 HB2 ASN 41 2HB ASN 41 -6.850 -6.511 -13.831 326 HB3 ASN 41 3HB ASN 41 -6.023 -6.781 -12.299 327 HD21 ASN 41 2HD2 ASN 41 -8.832 -6.298 -10.355 328 HD22 ASN 41 1HD2 ASN 41 -7.165 -6.735 -10.471 329 H LYS 42 H LYS 42 -5.246 -5.987 -10.898 330 HA LYS 42 HA LYS 42 -4.500 -3.633 -9.388 331 HB2 LYS 42 2HB LYS 42 -6.856 -5.354 -8.620 332 HB3 LYS 42 3HB LYS 42 -6.009 -4.333 -7.465 333 HG2 LYS 42 2HG LYS 42 -7.414 -3.391 -9.957 334 HG3 LYS 42 3HG LYS 42 -8.013 -3.245 -8.303 335 HD2 LYS 42 2HD LYS 42 -5.401 -2.157 -8.356 336 HD3 LYS 42 3HD LYS 42 -6.274 -1.498 -9.742 337 HE2 LYS 42 2HE LYS 42 -6.698 -0.012 -7.965 338 HE3 LYS 42 3HE LYS 42 -8.160 -0.985 -8.124 339 HZ1 LYS 42 3HZ LYS 42 -7.099 -0.576 -5.801 340 HZ2 LYS 42 1HZ LYS 42 -6.075 -1.847 -6.246 341 HZ3 LYS 42 2HZ LYS 42 -7.747 -2.091 -6.180 342 H CYS 43 H CYS 43 -3.089 -5.915 -10.366 343 HA CYS 43 HA CYS 43 -2.671 -7.733 -8.174 344 HB2 CYS 43 2HB CYS 43 -2.403 -8.500 -10.482 345 HB3 CYS 43 3HB CYS 43 -1.111 -7.331 -10.735 346 H THR 44 H THR 44 -1.333 -7.477 -6.516 347 HA THR 44 HA THR 44 1.073 -5.871 -6.777 348 HB THR 44 HB THR 44 -0.199 -5.085 -4.314 349 HG1 THR 44 HG1 THR 44 -2.137 -5.362 -5.554 350 HG21 THR 44 3HG2 THR 44 1.363 -3.560 -4.881 351 HG22 THR 44 1HG2 THR 44 0.051 -2.822 -5.799 352 HG23 THR 44 2HG2 THR 44 1.201 -3.887 -6.607 353 H VAL 45 H VAL 45 2.459 -6.026 -4.836 354 HA VAL 45 HA VAL 45 2.115 -8.651 -3.555 355 HB VAL 45 HB VAL 45 4.155 -8.548 -4.805 356 HG11 VAL 45 1HG1 VAL 45 4.181 -5.826 -3.929 357 HG12 VAL 45 2HG1 VAL 45 5.709 -6.596 -3.499 358 HG13 VAL 45 3HG1 VAL 45 5.158 -6.603 -5.175 359 HG21 VAL 45 3HG2 VAL 45 5.356 -9.567 -3.217 360 HG22 VAL 45 1HG2 VAL 45 5.442 -8.109 -2.228 361 HG23 VAL 45 2HG2 VAL 45 4.030 -9.161 -2.127 362 H ASP 46 H ASP 46 1.389 -8.596 -1.541 363 HA ASP 46 HA ASP 46 2.469 -6.597 0.305 364 HB2 ASP 46 2HB ASP 46 -0.481 -7.223 0.058 365 HB3 ASP 46 3HB ASP 46 0.252 -6.151 1.248 366 H THR 47 H THR 47 2.289 -7.193 2.546 367 HA THR 47 HA THR 47 1.571 -9.980 3.079 368 HB THR 47 HB THR 47 3.740 -10.065 4.521 369 HG1 THR 47 HG1 THR 47 4.382 -8.083 2.575 370 HG21 THR 47 3HG2 THR 47 4.978 -11.039 2.648 371 HG22 THR 47 1HG2 THR 47 3.866 -10.279 1.510 372 HG23 THR 47 2HG2 THR 47 3.285 -11.530 2.610 373 H TYR 48 H TYR 48 0.986 -6.954 3.821 374 HA TYR 48 HA TYR 48 1.274 -6.968 6.682 375 HB2 TYR 48 2HB TYR 48 0.004 -5.109 4.696 376 HB3 TYR 48 3HB TYR 48 -0.289 -4.905 6.419 377 HD1 TYR 48 HD1 TYR 48 1.464 -3.482 3.959 378 HD2 TYR 48 HD2 TYR 48 2.226 -5.382 7.689 379 HE1 TYR 48 HE1 TYR 48 3.569 -2.227 4.162 380 HE2 TYR 48 HE2 TYR 48 4.333 -4.131 7.903 381 HH TYR 48 HH TYR 48 5.698 -2.374 5.308 382 H ASN 49 H ASN 49 -1.388 -7.383 4.383 383 HA ASN 49 HA ASN 49 -3.183 -8.079 6.591 384 HB2 ASN 49 2HB ASN 49 -3.576 -7.168 3.778 385 HB3 ASN 49 3HB ASN 49 -4.825 -8.176 4.502 386 HD21 ASN 49 2HD2 ASN 49 -5.459 -4.525 5.073 387 HD22 ASN 49 1HD2 ASN 49 -5.060 -5.452 3.671 388 H ASN 50 H ASN 50 -0.964 -9.695 5.046 389 HA ASN 50 HA ASN 50 -0.581 -11.907 4.662 390 HB2 ASN 50 2HB ASN 50 -1.573 -12.968 6.378 391 HB3 ASN 50 3HB ASN 50 -2.967 -11.893 6.337 392 HD21 ASN 50 2HD2 ASN 50 -4.954 -14.006 4.365 393 HD22 ASN 50 1HD2 ASN 50 -4.684 -12.380 4.883 394 H ALA 51 H ALA 51 -2.587 -10.034 2.993 395 HA ALA 51 HA ALA 51 -3.990 -11.867 1.333 396 HB1 ALA 51 1HB ALA 51 -3.487 -9.440 -0.063 397 HB2 ALA 51 2HB ALA 51 -4.984 -9.994 0.687 398 HB3 ALA 51 3HB ALA 51 -3.822 -9.057 1.626 399 H VAL 52 H VAL 52 -3.471 -12.731 -0.635 400 HA VAL 52 HA VAL 52 -0.647 -12.878 -1.263 401 HB VAL 52 HB VAL 52 -2.873 -14.184 -2.814 402 HG11 VAL 52 1HG1 VAL 52 0.074 -14.612 -2.511 403 HG12 VAL 52 2HG1 VAL 52 -0.980 -15.936 -3.012 404 HG13 VAL 52 3HG1 VAL 52 -0.888 -14.465 -3.982 405 HG21 VAL 52 3HG2 VAL 52 -2.579 -16.146 -1.342 406 HG22 VAL 52 1HG2 VAL 52 -1.536 -15.179 -0.300 407 HG23 VAL 52 2HG2 VAL 52 -3.236 -14.750 -0.489 408 H ASP 53 H ASP 53 0.174 -12.558 -3.432 409 HA ASP 53 HA ASP 53 -0.907 -10.146 -4.616 410 HB2 ASP 53 2HB ASP 53 1.130 -10.180 -6.001 411 HB3 ASP 53 3HB ASP 53 1.508 -10.328 -4.287 412 H CYS 54 H CYS 54 -2.745 -10.635 -5.731 413 HA CYS 54 HA CYS 54 -2.412 -11.936 -8.274 414 HB2 CYS 54 2HB CYS 54 -3.862 -13.263 -6.036 415 HB3 CYS 54 3HB CYS 54 -4.571 -13.370 -7.644 416 H ASP 55 H ASP 55 -3.506 -10.756 -9.686 417 HA ASP 55 HA ASP 55 -6.185 -10.082 -9.572 418 HB2 ASP 55 2HB ASP 55 -4.520 -8.315 -7.986 419 HB3 ASP 55 3HB ASP 55 -5.340 -7.435 -9.273 Start of MODEL 2 1 H1 ALA 1 H ALA 1 2.009 -1.121 0.388 2 HA ALA 1 HA ALA 1 2.371 0.265 -1.989 3 HB1 ALA 1 1HB ALA 1 1.998 2.283 -0.646 4 HB2 ALA 1 2HB ALA 1 3.364 1.845 0.380 5 HB3 ALA 1 3HB ALA 1 3.628 2.234 -1.319 6 H LYS 2 H LYS 2 3.279 -2.005 -1.862 7 HA LYS 2 HA LYS 2 6.022 -2.012 -0.801 8 HB2 LYS 2 2HB LYS 2 3.960 -4.101 -1.197 9 HB3 LYS 2 3HB LYS 2 5.619 -4.580 -1.529 10 HG2 LYS 2 2HG LYS 2 5.120 -3.135 1.004 11 HG3 LYS 2 3HG LYS 2 4.509 -4.786 0.879 12 HD2 LYS 2 2HD LYS 2 7.315 -4.203 0.046 13 HD3 LYS 2 3HD LYS 2 6.934 -4.319 1.766 14 HE2 LYS 2 2HE LYS 2 7.510 -6.495 1.257 15 HE3 LYS 2 3HE LYS 2 5.757 -6.534 1.081 16 HZ1 LYS 2 3HZ LYS 2 5.923 -6.505 -1.237 17 HZ2 LYS 2 1HZ LYS 2 7.120 -7.595 -0.749 18 HZ3 LYS 2 2HZ LYS 2 7.546 -6.028 -1.219 19 H TYR 3 H TYR 3 4.523 -3.823 -3.462 20 HA TYR 3 HA TYR 3 6.331 -2.553 -5.370 21 HB2 TYR 3 2HB TYR 3 6.918 -5.052 -4.236 22 HB3 TYR 3 3HB TYR 3 6.292 -5.406 -5.843 23 HD1 TYR 3 HD1 TYR 3 8.728 -3.135 -4.149 24 HD2 TYR 3 HD2 TYR 3 7.758 -5.378 -7.632 25 HE1 TYR 3 HE1 TYR 3 10.914 -2.563 -5.118 26 HE2 TYR 3 HE2 TYR 3 9.942 -4.813 -8.611 27 HH TYR 3 HH TYR 3 12.308 -2.860 -6.821 28 H THR 4 H THR 4 5.790 -3.064 -7.614 29 HA THR 4 HA THR 4 2.900 -3.439 -7.909 30 HB THR 4 HB THR 4 4.837 -2.457 -10.008 31 HG1 THR 4 HG1 THR 4 4.897 -0.685 -8.863 32 HG21 THR 4 3HG2 THR 4 1.992 -1.647 -9.942 33 HG22 THR 4 1HG2 THR 4 2.323 -3.323 -10.377 34 HG23 THR 4 2HG2 THR 4 3.035 -2.010 -11.316 35 H GLY 5 H GLY 5 2.194 -5.386 -8.471 36 HA2 GLY 5 2HA GLY 5 3.930 -7.055 -10.185 37 HA3 GLY 5 3HA GLY 5 2.879 -7.711 -8.939 38 H LYS 6 H LYS 6 2.637 -8.797 -11.357 39 HA LYS 6 HA LYS 6 -0.012 -7.894 -12.187 40 HB2 LYS 6 2HB LYS 6 1.092 -8.576 -14.609 41 HB3 LYS 6 3HB LYS 6 0.826 -6.934 -14.037 42 HG2 LYS 6 2HG LYS 6 3.062 -6.684 -13.375 43 HG3 LYS 6 3HG LYS 6 3.369 -8.420 -13.465 44 HD2 LYS 6 2HD LYS 6 4.330 -7.769 -15.431 45 HD3 LYS 6 3HD LYS 6 2.679 -8.036 -15.995 46 HE2 LYS 6 2HE LYS 6 2.419 -5.882 -16.511 47 HE3 LYS 6 3HE LYS 6 3.041 -5.360 -14.947 48 HZ1 LYS 6 3HZ LYS 6 5.304 -5.728 -15.834 49 HZ2 LYS 6 1HZ LYS 6 4.454 -4.519 -16.657 50 HZ3 LYS 6 2HZ LYS 6 4.634 -6.050 -17.354 51 H CYS 7 H CYS 7 -1.373 -9.544 -12.519 52 HA CYS 7 HA CYS 7 -0.219 -12.243 -12.790 53 HB2 CYS 7 2HB CYS 7 -1.329 -12.851 -10.950 54 HB3 CYS 7 3HB CYS 7 -1.945 -11.211 -10.776 55 H THR 8 H THR 8 -1.135 -13.637 -14.251 56 HA THR 8 HA THR 8 -2.995 -12.412 -16.162 57 HB THR 8 HB THR 8 -0.953 -13.192 -17.185 58 HG1 THR 8 HG1 THR 8 -3.017 -13.583 -18.269 59 HG21 THR 8 3HG2 THR 8 0.145 -14.979 -16.438 60 HG22 THR 8 1HG2 THR 8 -1.195 -16.022 -16.909 61 HG23 THR 8 2HG2 THR 8 -1.165 -15.297 -15.301 62 H LYS 9 H LYS 9 -5.055 -12.992 -16.110 63 HA LYS 9 HA LYS 9 -6.131 -14.918 -14.408 64 HB2 LYS 9 2HB LYS 9 -7.112 -13.005 -16.229 65 HB3 LYS 9 3HB LYS 9 -7.826 -14.539 -16.706 66 HG2 LYS 9 2HG LYS 9 -7.932 -14.158 -13.841 67 HG3 LYS 9 3HG LYS 9 -8.718 -12.839 -14.713 68 HD2 LYS 9 2HD LYS 9 -9.909 -14.651 -16.051 69 HD3 LYS 9 3HD LYS 9 -9.331 -15.782 -14.825 70 HE2 LYS 9 2HE LYS 9 -10.871 -15.118 -13.350 71 HE3 LYS 9 3HE LYS 9 -10.555 -13.413 -13.668 72 HZ1 LYS 9 3HZ LYS 9 -12.050 -14.962 -15.660 73 HZ2 LYS 9 1HZ LYS 9 -12.158 -13.319 -15.271 74 HZ3 LYS 9 2HZ LYS 9 -12.849 -14.476 -14.250 75 H SER 10 H SER 10 -4.645 -15.270 -17.475 76 HA SER 10 HA SER 10 -5.915 -17.614 -18.387 77 HB2 SER 10 2HB SER 10 -3.919 -15.931 -19.333 78 HB3 SER 10 3HB SER 10 -3.087 -17.466 -19.086 79 HG SER 10 HG SER 10 -4.085 -17.226 -21.181 80 H LYS 11 H LYS 11 -3.039 -17.112 -16.380 81 HA LYS 11 HA LYS 11 -2.964 -20.001 -15.838 82 HB2 LYS 11 2HB LYS 11 -0.924 -18.034 -16.296 83 HB3 LYS 11 3HB LYS 11 -0.715 -18.723 -14.692 84 HG2 LYS 11 2HG LYS 11 -0.975 -20.341 -17.217 85 HG3 LYS 11 3HG LYS 11 0.557 -19.895 -16.462 86 HD2 LYS 11 2HD LYS 11 0.383 -21.522 -14.942 87 HD3 LYS 11 3HD LYS 11 -1.288 -21.094 -14.569 88 HE2 LYS 11 2HE LYS 11 -1.683 -23.141 -15.452 89 HE3 LYS 11 3HE LYS 11 -1.661 -22.231 -16.961 90 HZ1 LYS 11 3HZ LYS 11 -0.147 -23.759 -17.544 91 HZ2 LYS 11 1HZ LYS 11 0.228 -24.176 -15.948 92 HZ3 LYS 11 2HZ LYS 11 0.931 -22.808 -16.652 93 H ASN 12 H ASN 12 -4.188 -17.234 -14.563 94 HA ASN 12 HA ASN 12 -4.849 -16.544 -12.493 95 HB2 ASN 12 2HB ASN 12 -5.606 -19.192 -12.834 96 HB3 ASN 12 3HB ASN 12 -4.857 -19.178 -11.241 97 HD21 ASN 12 2HD2 ASN 12 -7.862 -18.161 -9.888 98 HD22 ASN 12 1HD2 ASN 12 -6.546 -19.280 -9.911 99 H GLU 13 H GLU 13 -2.171 -16.234 -12.774 100 HA GLU 13 HA GLU 13 -1.252 -16.612 -10.036 101 HB2 GLU 13 2HB GLU 13 0.850 -17.582 -10.631 102 HB3 GLU 13 3HB GLU 13 -0.409 -18.557 -11.377 103 HG2 GLU 13 2HG GLU 13 -0.008 -17.147 -13.469 104 HG3 GLU 13 3HG GLU 13 1.476 -16.625 -12.674 105 H CYS 14 H CYS 14 0.522 -15.221 -9.460 106 HA CYS 14 HA CYS 14 0.811 -12.919 -11.278 107 HB2 CYS 14 2HB CYS 14 -0.522 -12.651 -9.061 108 HB3 CYS 14 3HB CYS 14 1.062 -12.687 -8.294 109 H LYS 15 H LYS 15 2.824 -12.059 -11.579 110 HA LYS 15 HA LYS 15 5.067 -12.913 -9.971 111 HB2 LYS 15 2HB LYS 15 6.261 -14.099 -11.590 112 HB3 LYS 15 3HB LYS 15 4.619 -14.701 -11.777 113 HG2 LYS 15 2HG LYS 15 5.894 -12.575 -13.487 114 HG3 LYS 15 3HG LYS 15 5.718 -14.275 -13.927 115 HD2 LYS 15 2HD LYS 15 3.167 -13.650 -13.248 116 HD3 LYS 15 3HD LYS 15 3.728 -12.108 -13.899 117 HE2 LYS 15 2HE LYS 15 4.025 -14.744 -15.329 118 HE3 LYS 15 3HE LYS 15 2.669 -13.645 -15.573 119 HZ1 LYS 15 3HZ LYS 15 5.531 -13.048 -16.095 120 HZ2 LYS 15 1HZ LYS 15 4.269 -11.932 -16.249 121 HZ3 LYS 15 2HZ LYS 15 4.326 -13.288 -17.258 122 H TYR 16 H TYR 16 6.705 -11.454 -9.997 123 HA TYR 16 HA TYR 16 6.857 -9.479 -12.131 124 HB2 TYR 16 2HB TYR 16 5.274 -8.621 -10.336 125 HB3 TYR 16 3HB TYR 16 6.665 -8.570 -9.259 126 HD1 TYR 16 HD1 TYR 16 5.444 -7.282 -12.533 127 HD2 TYR 16 HD2 TYR 16 8.040 -6.686 -9.215 128 HE1 TYR 16 HE1 TYR 16 6.015 -5.049 -13.390 129 HE2 TYR 16 HE2 TYR 16 8.618 -4.450 -10.062 130 HH TYR 16 HH TYR 16 8.037 -3.444 -13.139 131 H LYS 17 H LYS 17 8.795 -8.076 -11.895 132 HA LYS 17 HA LYS 17 11.042 -9.692 -11.026 133 HB2 LYS 17 2HB LYS 17 11.004 -8.509 -13.234 134 HB3 LYS 17 3HB LYS 17 11.066 -6.982 -12.364 135 HG2 LYS 17 2HG LYS 17 13.169 -8.628 -11.404 136 HG3 LYS 17 3HG LYS 17 13.208 -8.646 -13.169 137 HD2 LYS 17 2HD LYS 17 12.795 -6.015 -11.882 138 HD3 LYS 17 3HD LYS 17 14.391 -6.746 -11.688 139 HE2 LYS 17 2HE LYS 17 14.297 -7.117 -14.231 140 HE3 LYS 17 3HE LYS 17 12.974 -5.952 -14.212 141 HZ1 LYS 17 3HZ LYS 17 15.171 -4.976 -12.718 142 HZ2 LYS 17 1HZ LYS 17 14.418 -4.297 -14.073 143 HZ3 LYS 17 2HZ LYS 17 15.680 -5.406 -14.272 144 H ASN 18 H ASN 18 12.056 -9.453 -9.150 145 HA ASN 18 HA ASN 18 11.635 -6.957 -7.643 146 HB2 ASN 18 2HB ASN 18 12.426 -8.634 -5.711 147 HB3 ASN 18 3HB ASN 18 10.739 -8.483 -6.196 148 HD21 ASN 18 2HD2 ASN 18 12.663 -11.962 -6.560 149 HD22 ASN 18 1HD2 ASN 18 13.325 -10.571 -5.777 150 H SER 19 H SER 19 13.494 -6.835 -5.851 151 HA SER 19 HA SER 19 15.829 -6.106 -7.190 152 HB2 SER 19 2HB SER 19 14.853 -5.745 -4.655 153 HB3 SER 19 3HB SER 19 16.210 -6.834 -4.366 154 HG SER 19 HG SER 19 16.934 -4.708 -4.308 155 H ALA 20 H ALA 20 14.960 -9.098 -5.554 156 HA ALA 20 HA ALA 20 17.414 -10.357 -5.400 157 HB1 ALA 20 1HB ALA 20 14.926 -11.095 -4.775 158 HB2 ALA 20 2HB ALA 20 15.130 -12.031 -6.257 159 HB3 ALA 20 3HB ALA 20 16.256 -12.244 -4.917 160 H GLY 21 H GLY 21 15.360 -9.841 -8.192 161 HA2 GLY 21 2HA GLY 21 16.124 -9.810 -10.416 162 HA3 GLY 21 3HA GLY 21 17.552 -10.703 -9.915 163 H LYS 22 H LYS 22 15.553 -12.529 -8.420 164 HA LYS 22 HA LYS 22 15.185 -14.339 -10.675 165 HB2 LYS 22 2HB LYS 22 15.456 -14.617 -7.751 166 HB3 LYS 22 3HB LYS 22 14.325 -15.736 -8.502 167 HG2 LYS 22 2HG LYS 22 16.036 -16.585 -9.952 168 HG3 LYS 22 3HG LYS 22 17.177 -15.361 -9.390 169 HD2 LYS 22 2HD LYS 22 17.520 -16.410 -7.379 170 HD3 LYS 22 3HD LYS 22 15.925 -17.165 -7.378 171 HE2 LYS 22 2HE LYS 22 17.324 -18.185 -9.607 172 HE3 LYS 22 3HE LYS 22 18.432 -18.240 -8.237 173 HZ1 LYS 22 3HZ LYS 22 16.390 -19.252 -7.031 174 HZ2 LYS 22 1HZ LYS 22 17.334 -20.228 -8.042 175 HZ3 LYS 22 2HZ LYS 22 15.859 -19.614 -8.596 176 H ASP 23 H ASP 23 13.330 -14.289 -11.745 177 HA ASP 23 HA ASP 23 11.012 -12.968 -10.944 178 HB2 ASP 23 2HB ASP 23 11.008 -15.320 -12.830 179 HB3 ASP 23 3HB ASP 23 9.962 -13.902 -12.852 180 H THR 24 H THR 24 9.490 -13.442 -9.513 181 HA THR 24 HA THR 24 9.242 -16.234 -8.604 182 HB THR 24 HB THR 24 9.994 -14.843 -6.790 183 HG1 THR 24 HG1 THR 24 7.198 -15.196 -6.406 184 HG21 THR 24 3HG2 THR 24 8.821 -12.875 -6.040 185 HG22 THR 24 1HG2 THR 24 7.568 -13.107 -7.257 186 HG23 THR 24 2HG2 THR 24 9.207 -12.685 -7.750 187 H PHE 25 H PHE 25 7.402 -17.243 -9.050 188 HA PHE 25 HA PHE 25 4.973 -15.635 -9.468 189 HB2 PHE 25 2HB PHE 25 4.323 -17.011 -11.331 190 HB3 PHE 25 3HB PHE 25 5.958 -16.430 -11.630 191 HD1 PHE 25 HD1 PHE 25 7.885 -18.016 -10.980 192 HD2 PHE 25 HD2 PHE 25 3.849 -19.268 -11.487 193 HE1 PHE 25 HE1 PHE 25 8.649 -20.331 -11.312 194 HE2 PHE 25 HE2 PHE 25 4.606 -21.585 -11.819 195 HZ PHE 25 HZ PHE 25 7.009 -22.120 -11.731 196 H ILE 26 H ILE 26 3.027 -16.567 -8.820 197 HA ILE 26 HA ILE 26 3.055 -19.216 -7.623 198 HB ILE 26 HB ILE 26 3.761 -17.839 -5.754 199 HG12 ILE 26 2HG1 ILE 26 0.835 -18.502 -5.397 200 HG13 ILE 26 3HG1 ILE 26 2.105 -19.721 -5.439 201 HG21 ILE 26 1HG2 ILE 26 2.565 -15.958 -4.954 202 HG22 ILE 26 2HG2 ILE 26 2.756 -15.726 -6.691 203 HG23 ILE 26 3HG2 ILE 26 1.211 -16.270 -6.039 204 HD11 ILE 26 3HD1 ILE 26 1.566 -19.257 -3.165 205 HD12 ILE 26 1HD1 ILE 26 3.163 -18.588 -3.500 206 HD13 ILE 26 2HD1 ILE 26 1.759 -17.522 -3.419 207 H LYS 27 H LYS 27 1.224 -20.229 -8.101 208 HA LYS 27 HA LYS 27 -0.942 -18.803 -9.346 209 HB2 LYS 27 2HB LYS 27 -0.646 -21.724 -8.622 210 HB3 LYS 27 3HB LYS 27 -1.961 -21.053 -9.579 211 HG2 LYS 27 2HG LYS 27 -0.695 -20.857 -11.435 212 HG3 LYS 27 3HG LYS 27 0.768 -20.463 -10.529 213 HD2 LYS 27 2HD LYS 27 1.411 -22.620 -10.389 214 HD3 LYS 27 3HD LYS 27 -0.238 -23.200 -10.142 215 HE2 LYS 27 2HE LYS 27 -0.541 -22.573 -12.650 216 HE3 LYS 27 3HE LYS 27 1.220 -22.648 -12.695 217 HZ1 LYS 27 3HZ LYS 27 0.451 -24.926 -11.382 218 HZ2 LYS 27 1HZ LYS 27 0.980 -24.821 -12.986 219 HZ3 LYS 27 2HZ LYS 27 -0.674 -24.775 -12.636 220 H CYS 28 H CYS 28 -3.055 -18.603 -8.608 221 HA CYS 28 HA CYS 28 -3.430 -19.104 -5.727 222 HB2 CYS 28 2HB CYS 28 -4.684 -16.881 -7.350 223 HB3 CYS 28 3HB CYS 28 -4.807 -17.116 -5.609 224 HA PRO 29 HA PRO 29 -6.887 -21.610 -6.789 225 HB2 PRO 29 2HB PRO 29 -8.277 -21.444 -4.463 226 HB3 PRO 29 3HB PRO 29 -6.794 -22.391 -4.630 227 HG2 PRO 29 2HG PRO 29 -7.173 -19.652 -3.484 228 HG3 PRO 29 3HG PRO 29 -6.186 -20.993 -2.874 229 HD2 PRO 29 2HD PRO 29 -5.128 -18.915 -4.250 230 HD3 PRO 29 3HD PRO 29 -4.463 -20.558 -4.342 231 H LYS 30 H LYS 30 -9.465 -21.376 -5.940 232 HA LYS 30 HA LYS 30 -10.317 -18.860 -7.206 233 HB2 LYS 30 2HB LYS 30 -11.370 -21.641 -7.246 234 HB3 LYS 30 3HB LYS 30 -12.548 -20.336 -7.306 235 HG2 LYS 30 2HG LYS 30 -10.527 -19.687 -9.157 236 HG3 LYS 30 3HG LYS 30 -10.919 -21.392 -9.397 237 HD2 LYS 30 2HD LYS 30 -12.484 -20.407 -10.756 238 HD3 LYS 30 3HD LYS 30 -13.392 -20.508 -9.246 239 HE2 LYS 30 2HE LYS 30 -13.680 -18.316 -10.209 240 HE3 LYS 30 3HE LYS 30 -12.726 -18.184 -8.733 241 HZ1 LYS 30 3HZ LYS 30 -11.459 -18.365 -11.400 242 HZ2 LYS 30 1HZ LYS 30 -10.775 -17.833 -9.946 243 HZ3 LYS 30 2HZ LYS 30 -11.931 -16.883 -10.735 244 H PHE 31 H PHE 31 -9.772 -19.783 -4.253 245 HA PHE 31 HA PHE 31 -12.338 -19.221 -3.027 246 HB2 PHE 31 2HB PHE 31 -10.252 -20.764 -2.239 247 HB3 PHE 31 3HB PHE 31 -9.916 -19.290 -1.336 248 HD1 PHE 31 HD1 PHE 31 -13.008 -21.197 -2.199 249 HD2 PHE 31 HD2 PHE 31 -10.608 -19.430 0.839 250 HE1 PHE 31 HE1 PHE 31 -14.667 -21.862 -0.507 251 HE2 PHE 31 HE2 PHE 31 -12.261 -20.093 2.536 252 HZ PHE 31 HZ PHE 31 -14.293 -21.311 1.864 253 H ASP 32 H ASP 32 -12.189 -17.653 -1.050 254 HA ASP 32 HA ASP 32 -11.868 -15.055 -2.066 255 HB2 ASP 32 2HB ASP 32 -12.349 -14.287 0.189 256 HB3 ASP 32 3HB ASP 32 -13.400 -15.643 -0.210 257 H ASN 33 H ASN 33 -10.429 -13.368 -1.323 258 HA ASN 33 HA ASN 33 -8.331 -12.507 -1.112 259 HB2 ASN 33 2HB ASN 33 -8.844 -13.276 1.247 260 HB3 ASN 33 3HB ASN 33 -7.890 -14.715 0.901 261 HD21 ASN 33 2HD2 ASN 33 -5.576 -12.494 2.555 262 HD22 ASN 33 1HD2 ASN 33 -6.942 -13.488 2.918 263 H LYS 34 H LYS 34 -8.806 -14.819 -2.975 264 HA LYS 34 HA LYS 34 -6.008 -15.270 -3.612 265 HB2 LYS 34 2HB LYS 34 -7.888 -17.421 -2.749 266 HB3 LYS 34 3HB LYS 34 -6.745 -17.784 -4.034 267 HG2 LYS 34 2HG LYS 34 -5.383 -18.357 -2.359 268 HG3 LYS 34 3HG LYS 34 -5.119 -16.619 -2.200 269 HD2 LYS 34 2HD LYS 34 -5.614 -17.512 -0.029 270 HD3 LYS 34 3HD LYS 34 -6.995 -16.551 -0.562 271 HE2 LYS 34 2HE LYS 34 -8.243 -18.331 -0.058 272 HE3 LYS 34 3HE LYS 34 -7.575 -19.071 -1.511 273 HZ1 LYS 34 3HZ LYS 34 -7.409 -20.374 0.643 274 HZ2 LYS 34 1HZ LYS 34 -6.207 -19.276 1.101 275 HZ3 LYS 34 2HZ LYS 34 -5.995 -20.235 -0.275 276 H LYS 35 H LYS 35 -8.119 -13.749 -4.819 277 HA LYS 35 HA LYS 35 -8.887 -15.263 -7.188 278 HB2 LYS 35 2HB LYS 35 -10.397 -13.548 -7.667 279 HB3 LYS 35 3HB LYS 35 -10.402 -13.612 -5.909 280 HG2 LYS 35 2HG LYS 35 -8.833 -11.718 -5.857 281 HG3 LYS 35 3HG LYS 35 -8.904 -11.636 -7.619 282 HD2 LYS 35 2HD LYS 35 -11.152 -10.966 -7.607 283 HD3 LYS 35 3HD LYS 35 -11.386 -11.478 -5.934 284 HE2 LYS 35 2HE LYS 35 -9.753 -9.694 -5.265 285 HE3 LYS 35 3HE LYS 35 -9.794 -9.121 -6.931 286 HZ1 LYS 35 3HZ LYS 35 -11.318 -7.916 -5.435 287 HZ2 LYS 35 1HZ LYS 35 -12.182 -9.348 -5.182 288 HZ3 LYS 35 2HZ LYS 35 -12.119 -8.660 -6.726 289 H CYS 36 H CYS 36 -8.458 -14.460 -9.335 290 HA CYS 36 HA CYS 36 -5.987 -12.862 -9.498 291 HB2 CYS 36 2HB CYS 36 -6.143 -15.499 -10.129 292 HB3 CYS 36 3HB CYS 36 -6.528 -14.772 -11.686 293 H THR 37 H THR 37 -5.911 -11.249 -10.979 294 HA THR 37 HA THR 37 -8.142 -10.994 -12.874 295 HB THR 37 HB THR 37 -7.220 -8.439 -11.751 296 HG1 THR 37 HG1 THR 37 -8.933 -10.017 -10.135 297 HG21 THR 37 3HG2 THR 37 -9.647 -9.674 -12.837 298 HG22 THR 37 1HG2 THR 37 -9.078 -8.009 -12.945 299 HG23 THR 37 2HG2 THR 37 -9.938 -8.555 -11.506 300 H LYS 38 H LYS 38 -7.533 -8.675 -14.095 301 HA LYS 38 HA LYS 38 -5.577 -9.312 -15.926 302 HB2 LYS 38 2HB LYS 38 -7.322 -7.162 -15.485 303 HB3 LYS 38 3HB LYS 38 -5.719 -6.444 -15.579 304 HG2 LYS 38 2HG LYS 38 -5.569 -6.790 -17.777 305 HG3 LYS 38 3HG LYS 38 -6.225 -8.424 -17.659 306 HD2 LYS 38 2HD LYS 38 -8.491 -7.286 -17.297 307 HD3 LYS 38 3HD LYS 38 -7.703 -5.818 -17.878 308 HE2 LYS 38 2HE LYS 38 -7.806 -6.500 -19.999 309 HE3 LYS 38 3HE LYS 38 -7.158 -8.089 -19.593 310 HZ1 LYS 38 3HZ LYS 38 -9.366 -8.280 -20.520 311 HZ2 LYS 38 1HZ LYS 38 -9.994 -7.247 -19.337 312 HZ3 LYS 38 2HZ LYS 38 -9.384 -8.762 -18.898 313 H ASP 39 H ASP 39 -3.442 -8.606 -16.287 314 HA ASP 39 HA ASP 39 -1.705 -8.744 -14.139 315 HB2 ASP 39 2HB ASP 39 -0.101 -7.509 -15.819 316 HB3 ASP 39 3HB ASP 39 -0.658 -9.145 -16.158 317 H ASN 40 H ASN 40 -2.608 -5.806 -15.951 318 HA ASN 40 HA ASN 40 -1.429 -4.118 -13.922 319 HB2 ASN 40 2HB ASN 40 -2.809 -3.609 -16.546 320 HB3 ASN 40 3HB ASN 40 -2.478 -2.287 -15.429 321 HD21 ASN 40 2HD2 ASN 40 0.871 -4.279 -16.623 322 HD22 ASN 40 1HD2 ASN 40 -0.479 -5.126 -15.957 323 H ASN 41 H ASN 41 -4.256 -5.767 -14.109 324 HA ASN 41 HA ASN 41 -6.309 -4.052 -13.490 325 HB2 ASN 41 2HB ASN 41 -6.594 -6.478 -13.805 326 HB3 ASN 41 3HB ASN 41 -5.804 -6.770 -12.258 327 HD21 ASN 41 2HD2 ASN 41 -8.654 -6.295 -10.372 328 HD22 ASN 41 1HD2 ASN 41 -6.984 -6.733 -10.453 329 H LYS 42 H LYS 42 -5.057 -5.992 -10.828 330 HA LYS 42 HA LYS 42 -4.342 -3.659 -9.273 331 HB2 LYS 42 2HB LYS 42 -6.791 -5.300 -8.704 332 HB3 LYS 42 3HB LYS 42 -5.917 -4.522 -7.391 333 HG2 LYS 42 2HG LYS 42 -6.159 -2.382 -8.831 334 HG3 LYS 42 3HG LYS 42 -7.440 -3.285 -9.642 335 HD2 LYS 42 2HD LYS 42 -8.804 -2.603 -8.016 336 HD3 LYS 42 3HD LYS 42 -7.919 -3.679 -6.933 337 HE2 LYS 42 2HE LYS 42 -7.290 -0.777 -7.466 338 HE3 LYS 42 3HE LYS 42 -8.056 -1.422 -6.015 339 HZ1 LYS 42 3HZ LYS 42 -5.739 -2.865 -6.311 340 HZ2 LYS 42 1HZ LYS 42 -6.023 -1.630 -5.190 341 HZ3 LYS 42 2HZ LYS 42 -5.293 -1.274 -6.674 342 H CYS 43 H CYS 43 -2.925 -5.946 -10.239 343 HA CYS 43 HA CYS 43 -2.573 -7.783 -8.053 344 HB2 CYS 43 2HB CYS 43 -2.253 -8.554 -10.343 345 HB3 CYS 43 3HB CYS 43 -0.971 -7.373 -10.586 346 H THR 44 H THR 44 -1.273 -7.549 -6.361 347 HA THR 44 HA THR 44 1.152 -5.962 -6.553 348 HB THR 44 HB THR 44 -0.085 -5.147 -4.115 349 HG1 THR 44 HG1 THR 44 -1.981 -4.315 -4.771 350 HG21 THR 44 3HG2 THR 44 1.194 -3.976 -6.476 351 HG22 THR 44 1HG2 THR 44 1.360 -3.554 -4.772 352 HG23 THR 44 2HG2 THR 44 0.005 -2.924 -5.708 353 H VAL 45 H VAL 45 2.489 -6.140 -4.578 354 HA VAL 45 HA VAL 45 2.094 -8.772 -3.327 355 HB VAL 45 HB VAL 45 4.167 -8.669 -4.525 356 HG11 VAL 45 1HG1 VAL 45 5.201 -6.731 -4.842 357 HG12 VAL 45 2HG1 VAL 45 4.187 -5.957 -3.622 358 HG13 VAL 45 3HG1 VAL 45 5.695 -6.742 -3.149 359 HG21 VAL 45 3HG2 VAL 45 5.305 -9.724 -2.918 360 HG22 VAL 45 1HG2 VAL 45 5.399 -8.273 -1.919 361 HG23 VAL 45 2HG2 VAL 45 3.967 -9.301 -1.850 362 H ASP 46 H ASP 46 1.318 -8.729 -1.332 363 HA ASP 46 HA ASP 46 2.363 -6.752 0.559 364 HB2 ASP 46 2HB ASP 46 -0.585 -7.354 0.231 365 HB3 ASP 46 3HB ASP 46 0.125 -6.295 1.446 366 H THR 47 H THR 47 2.110 -7.363 2.790 367 HA THR 47 HA THR 47 1.360 -10.149 3.281 368 HB THR 47 HB THR 47 3.911 -9.175 4.503 369 HG1 THR 47 HG1 THR 47 3.782 -10.473 1.971 370 HG21 THR 47 3HG2 THR 47 3.228 -11.938 3.547 371 HG22 THR 47 1HG2 THR 47 2.646 -11.336 5.098 372 HG23 THR 47 2HG2 THR 47 4.379 -11.451 4.791 373 H TYR 48 H TYR 48 0.783 -7.123 4.033 374 HA TYR 48 HA TYR 48 0.994 -7.164 6.900 375 HB2 TYR 48 2HB TYR 48 -0.204 -5.275 4.897 376 HB3 TYR 48 3HB TYR 48 -0.542 -5.083 6.613 377 HD1 TYR 48 HD1 TYR 48 1.920 -5.578 7.960 378 HD2 TYR 48 HD2 TYR 48 1.302 -3.673 4.205 379 HE1 TYR 48 HE1 TYR 48 4.032 -4.350 8.241 380 HE2 TYR 48 HE2 TYR 48 3.413 -2.441 4.476 381 HH TYR 48 HH TYR 48 5.770 -3.220 6.356 382 H ASN 49 H ASN 49 -1.608 -7.535 4.526 383 HA ASN 49 HA ASN 49 -3.471 -8.229 6.678 384 HB2 ASN 49 2HB ASN 49 -4.226 -8.032 3.777 385 HB3 ASN 49 3HB ASN 49 -5.227 -7.768 5.202 386 HD21 ASN 49 2HD2 ASN 49 -4.062 -4.592 3.438 387 HD22 ASN 49 1HD2 ASN 49 -4.571 -6.112 2.793 388 H ASN 50 H ASN 50 -1.224 -9.856 5.185 389 HA ASN 50 HA ASN 50 -0.849 -12.069 4.800 390 HB2 ASN 50 2HB ASN 50 -1.898 -13.129 6.483 391 HB3 ASN 50 3HB ASN 50 -3.283 -12.043 6.407 392 HD21 ASN 50 2HD2 ASN 50 -5.228 -14.133 4.369 393 HD22 ASN 50 1HD2 ASN 50 -4.961 -12.512 4.903 394 H ALA 51 H ALA 51 -2.794 -10.169 3.087 395 HA ALA 51 HA ALA 51 -4.163 -11.983 1.377 396 HB1 ALA 51 1HB ALA 51 -3.597 -9.538 0.025 397 HB2 ALA 51 2HB ALA 51 -5.125 -10.104 0.700 398 HB3 ALA 51 3HB ALA 51 -4.006 -9.182 1.703 399 H VAL 52 H VAL 52 -3.595 -12.834 -0.583 400 HA VAL 52 HA VAL 52 -0.756 -12.994 -1.134 401 HB VAL 52 HB VAL 52 -1.334 -14.678 -2.784 402 HG11 VAL 52 1HG1 VAL 52 -3.172 -15.583 -0.707 403 HG12 VAL 52 2HG1 VAL 52 -1.616 -16.246 -1.214 404 HG13 VAL 52 3HG1 VAL 52 -1.674 -14.904 -0.070 405 HG21 VAL 52 3HG2 VAL 52 -4.159 -13.796 -2.242 406 HG22 VAL 52 1HG2 VAL 52 -3.301 -13.832 -3.783 407 HG23 VAL 52 2HG2 VAL 52 -3.770 -15.341 -2.998 408 H ASP 53 H ASP 53 0.124 -12.665 -3.281 409 HA ASP 53 HA ASP 53 -0.906 -10.233 -4.472 410 HB2 ASP 53 2HB ASP 53 1.169 -10.262 -5.793 411 HB3 ASP 53 3HB ASP 53 1.499 -10.441 -4.072 412 H CYS 54 H CYS 54 -2.718 -10.706 -5.639 413 HA CYS 54 HA CYS 54 -2.321 -11.981 -8.185 414 HB2 CYS 54 2HB CYS 54 -3.830 -13.329 -6.001 415 HB3 CYS 54 3HB CYS 54 -4.502 -13.414 -7.626 416 H ASP 55 H ASP 55 -3.374 -10.784 -9.614 417 HA ASP 55 HA ASP 55 -6.054 -10.103 -9.560 418 HB2 ASP 55 2HB ASP 55 -4.432 -8.365 -7.908 419 HB3 ASP 55 3HB ASP 55 -5.192 -7.461 -9.215 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.981 -0.603 0.377 2 HA ALA 1 HA ALA 1 1.023 -0.876 -2.502 3 HB1 ALA 1 1HB ALA 1 0.279 1.436 -2.246 4 HB2 ALA 1 2HB ALA 1 1.686 1.782 -1.240 5 HB3 ALA 1 3HB ALA 1 1.899 1.359 -2.938 6 H LYS 2 H LYS 2 2.909 -1.717 -3.127 7 HA LYS 2 HA LYS 2 5.330 -1.184 -1.585 8 HB2 LYS 2 2HB LYS 2 3.993 -3.836 -1.857 9 HB3 LYS 2 3HB LYS 2 5.750 -3.788 -1.903 10 HG2 LYS 2 2HG LYS 2 5.050 -2.204 0.276 11 HG3 LYS 2 3HG LYS 2 3.964 -3.594 0.347 12 HD2 LYS 2 2HD LYS 2 6.945 -3.838 -0.009 13 HD3 LYS 2 3HD LYS 2 6.153 -3.858 1.568 14 HE2 LYS 2 2HE LYS 2 6.037 -6.075 1.255 15 HE3 LYS 2 3HE LYS 2 4.686 -5.694 0.188 16 HZ1 LYS 2 3HZ LYS 2 7.495 -5.889 -0.743 17 HZ2 LYS 2 1HZ LYS 2 6.100 -5.787 -1.695 18 HZ3 LYS 2 2HZ LYS 2 6.406 -7.182 -0.789 19 H TYR 3 H TYR 3 4.500 -3.603 -4.055 20 HA TYR 3 HA TYR 3 6.302 -2.209 -5.919 21 HB2 TYR 3 2HB TYR 3 6.954 -4.565 -4.710 22 HB3 TYR 3 3HB TYR 3 6.180 -5.143 -6.181 23 HD1 TYR 3 HD1 TYR 3 8.954 -3.085 -4.868 24 HD2 TYR 3 HD2 TYR 3 7.263 -4.964 -8.291 25 HE1 TYR 3 HE1 TYR 3 11.034 -2.673 -6.115 26 HE2 TYR 3 HE2 TYR 3 9.339 -4.558 -9.546 27 HH TYR 3 HH TYR 3 12.092 -4.079 -8.445 28 H THR 4 H THR 4 5.920 -2.715 -8.191 29 HA THR 4 HA THR 4 3.065 -2.968 -8.717 30 HB THR 4 HB THR 4 5.333 -2.208 -10.568 31 HG1 THR 4 HG1 THR 4 4.156 -0.116 -10.359 32 HG21 THR 4 3HG2 THR 4 3.714 -3.012 -12.020 33 HG22 THR 4 1HG2 THR 4 3.284 -1.306 -11.901 34 HG23 THR 4 2HG2 THR 4 2.383 -2.509 -10.979 35 H GLY 5 H GLY 5 2.230 -4.885 -9.201 36 HA2 GLY 5 2HA GLY 5 3.900 -6.782 -10.733 37 HA3 GLY 5 3HA GLY 5 2.868 -7.303 -9.410 38 H LYS 6 H LYS 6 2.533 -8.550 -11.752 39 HA LYS 6 HA LYS 6 -0.132 -7.670 -12.536 40 HB2 LYS 6 2HB LYS 6 0.902 -8.453 -14.968 41 HB3 LYS 6 3HB LYS 6 0.612 -6.794 -14.463 42 HG2 LYS 6 2HG LYS 6 2.872 -6.497 -13.822 43 HG3 LYS 6 3HG LYS 6 3.208 -8.224 -13.968 44 HD2 LYS 6 2HD LYS 6 3.271 -8.154 -16.266 45 HD3 LYS 6 3HD LYS 6 2.220 -6.739 -16.358 46 HE2 LYS 6 2HE LYS 6 4.324 -5.668 -15.074 47 HE3 LYS 6 3HE LYS 6 5.149 -6.919 -16.003 48 HZ1 LYS 6 3HZ LYS 6 3.701 -4.552 -16.948 49 HZ2 LYS 6 1HZ LYS 6 3.703 -5.933 -17.926 50 HZ3 LYS 6 2HZ LYS 6 5.165 -5.206 -17.486 51 H CYS 7 H CYS 7 -1.499 -9.335 -12.751 52 HA CYS 7 HA CYS 7 -0.345 -12.040 -12.949 53 HB2 CYS 7 2HB CYS 7 -1.393 -12.553 -11.044 54 HB3 CYS 7 3HB CYS 7 -2.045 -10.920 -10.948 55 H THR 8 H THR 8 -1.263 -13.476 -14.355 56 HA THR 8 HA THR 8 -3.200 -12.344 -16.246 57 HB THR 8 HB THR 8 -1.182 -13.119 -17.311 58 HG1 THR 8 HG1 THR 8 -3.320 -13.628 -18.261 59 HG21 THR 8 3HG2 THR 8 -1.310 -15.932 -16.949 60 HG22 THR 8 1HG2 THR 8 -1.309 -15.182 -15.354 61 HG23 THR 8 2HG2 THR 8 -0.012 -14.828 -16.495 62 H LYS 9 H LYS 9 -5.247 -12.961 -16.124 63 HA LYS 9 HA LYS 9 -6.227 -14.869 -14.334 64 HB2 LYS 9 2HB LYS 9 -7.403 -12.917 -15.670 65 HB3 LYS 9 3HB LYS 9 -7.769 -14.208 -16.807 66 HG2 LYS 9 2HG LYS 9 -8.611 -15.438 -14.647 67 HG3 LYS 9 3HG LYS 9 -8.745 -13.790 -14.029 68 HD2 LYS 9 2HD LYS 9 -9.841 -14.236 -16.729 69 HD3 LYS 9 3HD LYS 9 -10.694 -15.049 -15.415 70 HE2 LYS 9 2HE LYS 9 -11.721 -13.132 -14.967 71 HE3 LYS 9 3HE LYS 9 -10.163 -12.450 -14.503 72 HZ1 LYS 9 3HZ LYS 9 -10.016 -11.286 -16.400 73 HZ2 LYS 9 1HZ LYS 9 -11.694 -11.485 -16.466 74 HZ3 LYS 9 2HZ LYS 9 -10.685 -12.514 -17.351 75 H SER 10 H SER 10 -4.827 -15.256 -17.426 76 HA SER 10 HA SER 10 -6.109 -17.602 -18.300 77 HB2 SER 10 2HB SER 10 -3.207 -17.066 -18.864 78 HB3 SER 10 3HB SER 10 -4.437 -17.748 -19.927 79 HG SER 10 HG SER 10 -5.416 -15.651 -19.949 80 H LYS 11 H LYS 11 -3.221 -17.104 -16.310 81 HA LYS 11 HA LYS 11 -3.166 -19.989 -15.743 82 HB2 LYS 11 2HB LYS 11 -1.115 -18.085 -16.281 83 HB3 LYS 11 3HB LYS 11 -0.908 -18.652 -14.629 84 HG2 LYS 11 2HG LYS 11 0.387 -20.083 -15.963 85 HG3 LYS 11 3HG LYS 11 -1.065 -21.000 -15.555 86 HD2 LYS 11 2HD LYS 11 -1.868 -20.943 -17.694 87 HD3 LYS 11 3HD LYS 11 -1.087 -19.403 -18.062 88 HE2 LYS 11 2HE LYS 11 0.745 -21.639 -17.521 89 HE3 LYS 11 3HE LYS 11 -0.242 -21.816 -18.971 90 HZ1 LYS 11 3HZ LYS 11 1.356 -20.595 -19.916 91 HZ2 LYS 11 1HZ LYS 11 1.945 -20.010 -18.441 92 HZ3 LYS 11 2HZ LYS 11 0.608 -19.274 -19.170 93 H ASN 12 H ASN 12 -4.094 -17.029 -14.441 94 HA ASN 12 HA ASN 12 -4.885 -16.404 -12.402 95 HB2 ASN 12 2HB ASN 12 -5.464 -19.135 -12.607 96 HB3 ASN 12 3HB ASN 12 -4.753 -18.941 -11.008 97 HD21 ASN 12 2HD2 ASN 12 -7.854 -18.043 -9.794 98 HD22 ASN 12 1HD2 ASN 12 -6.463 -19.064 -9.706 99 H GLU 13 H GLU 13 -2.101 -16.262 -12.895 100 HA GLU 13 HA GLU 13 -1.114 -16.436 -10.136 101 HB2 GLU 13 2HB GLU 13 1.069 -17.199 -10.905 102 HB3 GLU 13 3HB GLU 13 -0.182 -18.339 -11.381 103 HG2 GLU 13 2HG GLU 13 -0.180 -17.049 -13.617 104 HG3 GLU 13 3HG GLU 13 1.384 -16.442 -13.077 105 H CYS 14 H CYS 14 0.740 -15.011 -9.720 106 HA CYS 14 HA CYS 14 0.782 -12.683 -11.526 107 HB2 CYS 14 2HB CYS 14 -0.472 -12.463 -9.259 108 HB3 CYS 14 3HB CYS 14 1.141 -12.415 -8.556 109 H LYS 15 H LYS 15 2.736 -11.341 -11.330 110 HA LYS 15 HA LYS 15 5.081 -12.787 -10.322 111 HB2 LYS 15 2HB LYS 15 5.014 -11.480 -13.043 112 HB3 LYS 15 3HB LYS 15 6.318 -12.436 -12.351 113 HG2 LYS 15 2HG LYS 15 5.442 -14.095 -13.568 114 HG3 LYS 15 3HG LYS 15 4.269 -14.208 -12.254 115 HD2 LYS 15 2HD LYS 15 2.732 -13.938 -13.865 116 HD3 LYS 15 3HD LYS 15 3.193 -12.235 -13.810 117 HE2 LYS 15 2HE LYS 15 4.628 -12.461 -15.666 118 HE3 LYS 15 3HE LYS 15 4.601 -14.221 -15.572 119 HZ1 LYS 15 3HZ LYS 15 2.260 -14.169 -16.204 120 HZ2 LYS 15 1HZ LYS 15 3.227 -13.435 -17.382 121 HZ3 LYS 15 2HZ LYS 15 2.313 -12.483 -16.324 122 H TYR 16 H TYR 16 6.678 -11.512 -9.495 123 HA TYR 16 HA TYR 16 6.591 -8.632 -9.923 124 HB2 TYR 16 2HB TYR 16 6.412 -8.047 -7.626 125 HB3 TYR 16 3HB TYR 16 5.115 -9.195 -7.940 126 HD1 TYR 16 HD1 TYR 16 8.246 -8.606 -6.164 127 HD2 TYR 16 HD2 TYR 16 5.224 -11.471 -7.038 128 HE1 TYR 16 HE1 TYR 16 9.050 -10.010 -4.312 129 HE2 TYR 16 HE2 TYR 16 6.019 -12.883 -5.187 130 HH TYR 16 HH TYR 16 7.895 -11.862 -2.770 131 H LYS 17 H LYS 17 8.499 -7.531 -9.073 132 HA LYS 17 HA LYS 17 10.852 -9.219 -9.342 133 HB2 LYS 17 2HB LYS 17 10.367 -6.834 -10.397 134 HB3 LYS 17 3HB LYS 17 11.038 -6.278 -8.870 135 HG2 LYS 17 2HG LYS 17 13.047 -7.692 -9.334 136 HG3 LYS 17 3HG LYS 17 12.381 -7.999 -10.940 137 HD2 LYS 17 2HD LYS 17 12.542 -5.169 -10.098 138 HD3 LYS 17 3HD LYS 17 14.076 -5.986 -10.404 139 HE2 LYS 17 2HE LYS 17 13.573 -5.155 -12.492 140 HE3 LYS 17 3HE LYS 17 12.896 -6.780 -12.588 141 HZ1 LYS 17 3HZ LYS 17 10.940 -5.883 -13.042 142 HZ2 LYS 17 1HZ LYS 17 11.581 -4.323 -12.903 143 HZ3 LYS 17 2HZ LYS 17 10.932 -5.094 -11.545 144 H ASN 18 H ASN 18 12.142 -9.821 -7.717 145 HA ASN 18 HA ASN 18 11.665 -8.620 -5.069 146 HB2 ASN 18 2HB ASN 18 12.734 -10.910 -4.328 147 HB3 ASN 18 3HB ASN 18 11.027 -10.818 -4.750 148 HD21 ASN 18 2HD2 ASN 18 13.525 -13.179 -6.797 149 HD22 ASN 18 1HD2 ASN 18 13.988 -12.289 -5.390 150 H SER 19 H SER 19 13.708 -9.284 -3.600 151 HA SER 19 HA SER 19 15.813 -7.642 -4.454 152 HB2 SER 19 2HB SER 19 15.100 -9.009 -2.088 153 HB3 SER 19 3HB SER 19 16.735 -9.533 -2.490 154 HG SER 19 HG SER 19 16.071 -6.804 -2.590 155 H ALA 20 H ALA 20 15.347 -11.121 -4.633 156 HA ALA 20 HA ALA 20 17.961 -11.853 -5.355 157 HB1 ALA 20 1HB ALA 20 15.692 -13.372 -6.510 158 HB2 ALA 20 2HB ALA 20 17.131 -13.946 -5.665 159 HB3 ALA 20 3HB ALA 20 15.787 -13.259 -4.752 160 H GLY 21 H GLY 21 15.290 -10.565 -7.220 161 HA2 GLY 21 2HA GLY 21 15.553 -9.402 -9.254 162 HA3 GLY 21 3HA GLY 21 17.108 -10.189 -9.477 163 H LYS 22 H LYS 22 15.607 -12.779 -8.702 164 HA LYS 22 HA LYS 22 14.985 -13.507 -11.431 165 HB2 LYS 22 2HB LYS 22 14.891 -15.158 -8.899 166 HB3 LYS 22 3HB LYS 22 14.747 -15.783 -10.536 167 HG2 LYS 22 2HG LYS 22 16.981 -15.440 -11.007 168 HG3 LYS 22 3HG LYS 22 17.166 -14.221 -9.743 169 HD2 LYS 22 2HD LYS 22 18.194 -15.964 -8.701 170 HD3 LYS 22 3HD LYS 22 16.534 -16.296 -8.201 171 HE2 LYS 22 2HE LYS 22 16.327 -18.091 -9.603 172 HE3 LYS 22 3HE LYS 22 17.483 -17.451 -10.770 173 HZ1 LYS 22 3HZ LYS 22 17.937 -19.339 -8.776 174 HZ2 LYS 22 1HZ LYS 22 18.807 -17.955 -8.342 175 HZ3 LYS 22 2HZ LYS 22 19.062 -18.676 -9.851 176 H ASP 23 H ASP 23 13.031 -13.339 -12.288 177 HA ASP 23 HA ASP 23 10.755 -12.455 -11.007 178 HB2 ASP 23 2HB ASP 23 10.846 -14.244 -13.445 179 HB3 ASP 23 3HB ASP 23 9.510 -13.197 -12.971 180 H THR 24 H THR 24 9.145 -13.353 -9.854 181 HA THR 24 HA THR 24 9.259 -16.267 -9.421 182 HB THR 24 HB THR 24 9.852 -15.168 -7.376 183 HG1 THR 24 HG1 THR 24 8.599 -16.713 -6.621 184 HG21 THR 24 3HG2 THR 24 7.289 -13.589 -7.607 185 HG22 THR 24 1HG2 THR 24 8.898 -12.951 -7.940 186 HG23 THR 24 2HG2 THR 24 8.480 -13.482 -6.311 187 H PHE 25 H PHE 25 7.524 -17.407 -9.981 188 HA PHE 25 HA PHE 25 5.013 -15.956 -10.489 189 HB2 PHE 25 2HB PHE 25 4.470 -17.729 -12.101 190 HB3 PHE 25 3HB PHE 25 5.992 -16.943 -12.508 191 HD1 PHE 25 HD1 PHE 25 4.384 -20.028 -11.482 192 HD2 PHE 25 HD2 PHE 25 8.122 -18.108 -12.154 193 HE1 PHE 25 HE1 PHE 25 5.499 -22.220 -11.517 194 HE2 PHE 25 HE2 PHE 25 9.244 -20.297 -12.191 195 HZ PHE 25 HZ PHE 25 7.932 -22.357 -11.872 196 H ILE 26 H ILE 26 3.271 -16.471 -9.331 197 HA ILE 26 HA ILE 26 3.160 -19.079 -7.993 198 HB ILE 26 HB ILE 26 3.985 -17.539 -6.306 199 HG12 ILE 26 2HG1 ILE 26 1.122 -17.790 -5.527 200 HG13 ILE 26 3HG1 ILE 26 1.975 -19.266 -5.962 201 HG21 ILE 26 1HG2 ILE 26 3.013 -15.502 -7.440 202 HG22 ILE 26 2HG2 ILE 26 1.482 -15.912 -6.667 203 HG23 ILE 26 3HG2 ILE 26 2.895 -15.535 -5.681 204 HD11 ILE 26 3HD1 ILE 26 2.077 -17.740 -3.534 205 HD12 ILE 26 1HD1 ILE 26 2.716 -19.346 -3.882 206 HD13 ILE 26 2HD1 ILE 26 3.688 -17.916 -4.230 207 H LYS 27 H LYS 27 1.275 -20.055 -8.308 208 HA LYS 27 HA LYS 27 -0.903 -18.594 -9.544 209 HB2 LYS 27 2HB LYS 27 -1.895 -20.740 -9.957 210 HB3 LYS 27 3HB LYS 27 -0.182 -20.853 -10.338 211 HG2 LYS 27 2HG LYS 27 0.057 -21.752 -7.929 212 HG3 LYS 27 3HG LYS 27 -1.683 -22.026 -8.035 213 HD2 LYS 27 2HD LYS 27 -1.446 -23.544 -9.812 214 HD3 LYS 27 3HD LYS 27 0.206 -23.022 -10.148 215 HE2 LYS 27 2HE LYS 27 0.582 -23.854 -7.663 216 HE3 LYS 27 3HE LYS 27 -0.826 -24.846 -8.039 217 HZ1 LYS 27 3HZ LYS 27 1.029 -24.942 -10.170 218 HZ2 LYS 27 1HZ LYS 27 0.440 -26.208 -9.215 219 HZ3 LYS 27 2HZ LYS 27 1.807 -25.343 -8.722 220 H CYS 28 H CYS 28 -2.994 -18.416 -8.721 221 HA CYS 28 HA CYS 28 -3.233 -18.906 -5.824 222 HB2 CYS 28 2HB CYS 28 -4.613 -16.719 -7.389 223 HB3 CYS 28 3HB CYS 28 -4.604 -16.930 -5.641 224 HA PRO 29 HA PRO 29 -6.698 -21.468 -6.718 225 HB2 PRO 29 2HB PRO 29 -7.965 -21.330 -4.321 226 HB3 PRO 29 3HB PRO 29 -6.480 -22.254 -4.570 227 HG2 PRO 29 2HG PRO 29 -6.838 -19.524 -3.395 228 HG3 PRO 29 3HG PRO 29 -5.801 -20.853 -2.843 229 HD2 PRO 29 2HD PRO 29 -4.848 -18.755 -4.266 230 HD3 PRO 29 3HD PRO 29 -4.164 -20.388 -4.398 231 H LYS 30 H LYS 30 -9.231 -21.276 -5.736 232 HA LYS 30 HA LYS 30 -10.185 -18.770 -6.948 233 HB2 LYS 30 2HB LYS 30 -11.198 -21.565 -6.938 234 HB3 LYS 30 3HB LYS 30 -12.397 -20.278 -6.929 235 HG2 LYS 30 2HG LYS 30 -11.043 -19.328 -8.916 236 HG3 LYS 30 3HG LYS 30 -10.371 -20.957 -9.018 237 HD2 LYS 30 2HD LYS 30 -12.164 -21.538 -10.202 238 HD3 LYS 30 3HD LYS 30 -13.128 -21.313 -8.741 239 HE2 LYS 30 2HE LYS 30 -12.444 -18.994 -10.512 240 HE3 LYS 30 3HE LYS 30 -13.804 -20.050 -10.889 241 HZ1 LYS 30 3HZ LYS 30 -14.341 -18.022 -9.545 242 HZ2 LYS 30 1HZ LYS 30 -13.485 -18.717 -8.262 243 HZ3 LYS 30 2HZ LYS 30 -14.862 -19.485 -8.874 244 H PHE 31 H PHE 31 -9.467 -19.682 -4.030 245 HA PHE 31 HA PHE 31 -11.972 -19.165 -2.666 246 HB2 PHE 31 2HB PHE 31 -9.799 -20.658 -1.996 247 HB3 PHE 31 3HB PHE 31 -9.473 -19.180 -1.096 248 HD1 PHE 31 HD1 PHE 31 -12.416 -21.367 -1.811 249 HD2 PHE 31 HD2 PHE 31 -10.183 -19.178 1.076 250 HE1 PHE 31 HE1 PHE 31 -13.975 -22.100 -0.055 251 HE2 PHE 31 HE2 PHE 31 -11.738 -19.908 2.837 252 HZ PHE 31 HZ PHE 31 -13.636 -21.372 2.273 253 H ASP 32 H ASP 32 -11.839 -17.568 -0.761 254 HA ASP 32 HA ASP 32 -11.604 -14.978 -1.769 255 HB2 ASP 32 2HB ASP 32 -11.866 -16.115 0.991 256 HB3 ASP 32 3HB ASP 32 -11.570 -14.391 0.786 257 H ASN 33 H ASN 33 -10.160 -13.255 -1.144 258 HA ASN 33 HA ASN 33 -8.078 -12.337 -1.066 259 HB2 ASN 33 2HB ASN 33 -8.436 -13.185 1.325 260 HB3 ASN 33 3HB ASN 33 -7.373 -14.520 0.891 261 HD21 ASN 33 2HD2 ASN 33 -5.241 -12.037 2.467 262 HD22 ASN 33 1HD2 ASN 33 -6.517 -13.116 2.904 263 H LYS 34 H LYS 34 -8.626 -14.718 -2.856 264 HA LYS 34 HA LYS 34 -5.849 -15.114 -3.656 265 HB2 LYS 34 2HB LYS 34 -7.741 -17.296 -2.856 266 HB3 LYS 34 3HB LYS 34 -6.538 -17.600 -4.102 267 HG2 LYS 34 2HG LYS 34 -4.825 -17.611 -2.638 268 HG3 LYS 34 3HG LYS 34 -5.541 -16.357 -1.623 269 HD2 LYS 34 2HD LYS 34 -7.217 -18.622 -1.442 270 HD3 LYS 34 3HD LYS 34 -5.556 -19.195 -1.263 271 HE2 LYS 34 2HE LYS 34 -6.432 -16.772 0.240 272 HE3 LYS 34 3HE LYS 34 -6.928 -18.363 0.816 273 HZ1 LYS 34 3HZ LYS 34 -4.574 -19.008 0.840 274 HZ2 LYS 34 1HZ LYS 34 -4.890 -17.709 1.877 275 HZ3 LYS 34 2HZ LYS 34 -4.139 -17.438 0.386 276 H LYS 35 H LYS 35 -7.999 -13.546 -4.734 277 HA LYS 35 HA LYS 35 -8.889 -14.985 -7.102 278 HB2 LYS 35 2HB LYS 35 -10.383 -13.236 -7.472 279 HB3 LYS 35 3HB LYS 35 -10.291 -13.306 -5.717 280 HG2 LYS 35 2HG LYS 35 -8.679 -11.452 -5.746 281 HG3 LYS 35 3HG LYS 35 -8.836 -11.365 -7.502 282 HD2 LYS 35 2HD LYS 35 -10.410 -9.821 -7.018 283 HD3 LYS 35 3HD LYS 35 -11.433 -11.239 -6.777 284 HE2 LYS 35 2HE LYS 35 -10.445 -11.118 -4.339 285 HE3 LYS 35 3HE LYS 35 -10.178 -9.430 -4.770 286 HZ1 LYS 35 3HZ LYS 35 -12.588 -9.381 -5.419 287 HZ2 LYS 35 1HZ LYS 35 -12.287 -9.543 -3.762 288 HZ3 LYS 35 2HZ LYS 35 -12.753 -10.890 -4.672 289 H CYS 36 H CYS 36 -8.464 -14.259 -9.241 290 HA CYS 36 HA CYS 36 -6.021 -12.628 -9.491 291 HB2 CYS 36 2HB CYS 36 -6.121 -15.279 -10.034 292 HB3 CYS 36 3HB CYS 36 -6.577 -14.624 -11.604 293 H THR 37 H THR 37 -5.993 -11.063 -11.027 294 HA THR 37 HA THR 37 -8.268 -10.896 -12.880 295 HB THR 37 HB THR 37 -7.338 -8.300 -11.854 296 HG1 THR 37 HG1 THR 37 -8.799 -10.094 -10.186 297 HG21 THR 37 3HG2 THR 37 -9.755 -9.560 -12.908 298 HG22 THR 37 1HG2 THR 37 -9.218 -7.884 -13.008 299 HG23 THR 37 2HG2 THR 37 -10.065 -8.454 -11.570 300 H LYS 38 H LYS 38 -7.738 -8.673 -14.243 301 HA LYS 38 HA LYS 38 -5.805 -9.340 -16.074 302 HB2 LYS 38 2HB LYS 38 -7.577 -7.204 -15.692 303 HB3 LYS 38 3HB LYS 38 -5.990 -6.460 -15.838 304 HG2 LYS 38 2HG LYS 38 -6.204 -6.616 -18.035 305 HG3 LYS 38 3HG LYS 38 -6.083 -8.369 -17.866 306 HD2 LYS 38 2HD LYS 38 -8.300 -8.683 -18.182 307 HD3 LYS 38 3HD LYS 38 -8.738 -7.208 -17.318 308 HE2 LYS 38 2HE LYS 38 -8.577 -5.902 -19.188 309 HE3 LYS 38 3HE LYS 38 -7.364 -6.938 -19.940 310 HZ1 LYS 38 3HZ LYS 38 -8.928 -8.085 -20.999 311 HZ2 LYS 38 1HZ LYS 38 -10.014 -6.863 -20.563 312 HZ3 LYS 38 2HZ LYS 38 -9.883 -8.256 -19.613 313 H ASP 39 H ASP 39 -3.690 -8.622 -16.513 314 HA ASP 39 HA ASP 39 -1.904 -8.640 -14.400 315 HB2 ASP 39 2HB ASP 39 -0.357 -7.458 -16.171 316 HB3 ASP 39 3HB ASP 39 -0.894 -9.117 -16.421 317 H ASN 40 H ASN 40 -2.920 -5.803 -16.309 318 HA ASN 40 HA ASN 40 -1.705 -4.004 -14.399 319 HB2 ASN 40 2HB ASN 40 -3.183 -3.637 -16.993 320 HB3 ASN 40 3HB ASN 40 -2.837 -2.262 -15.948 321 HD21 ASN 40 2HD2 ASN 40 0.505 -4.248 -17.169 322 HD22 ASN 40 1HD2 ASN 40 -0.806 -5.086 -16.417 323 H ASN 41 H ASN 41 -4.527 -5.697 -14.459 324 HA ASN 41 HA ASN 41 -6.567 -3.969 -13.815 325 HB2 ASN 41 2HB ASN 41 -6.887 -6.385 -14.092 326 HB3 ASN 41 3HB ASN 41 -6.019 -6.681 -12.589 327 HD21 ASN 41 2HD2 ASN 41 -8.744 -6.123 -10.533 328 HD22 ASN 41 1HD2 ASN 41 -7.069 -6.519 -10.688 329 H LYS 42 H LYS 42 -5.258 -5.878 -11.160 330 HA LYS 42 HA LYS 42 -4.493 -3.527 -9.655 331 HB2 LYS 42 2HB LYS 42 -6.894 -5.196 -8.933 332 HB3 LYS 42 3HB LYS 42 -6.015 -4.266 -7.727 333 HG2 LYS 42 2HG LYS 42 -6.397 -2.280 -9.353 334 HG3 LYS 42 3HG LYS 42 -7.671 -3.306 -10.017 335 HD2 LYS 42 2HD LYS 42 -7.486 -2.801 -7.068 336 HD3 LYS 42 3HD LYS 42 -8.266 -1.633 -8.138 337 HE2 LYS 42 2HE LYS 42 -10.090 -2.904 -8.350 338 HE3 LYS 42 3HE LYS 42 -9.138 -4.359 -8.641 339 HZ1 LYS 42 3HZ LYS 42 -10.310 -4.748 -6.667 340 HZ2 LYS 42 1HZ LYS 42 -9.970 -3.212 -6.043 341 HZ3 LYS 42 2HZ LYS 42 -8.741 -4.368 -6.161 342 H CYS 43 H CYS 43 -3.123 -5.849 -10.630 343 HA CYS 43 HA CYS 43 -2.714 -7.637 -8.410 344 HB2 CYS 43 2HB CYS 43 -2.479 -8.554 -10.617 345 HB3 CYS 43 3HB CYS 43 -1.308 -7.319 -11.064 346 H THR 44 H THR 44 -1.329 -7.389 -6.787 347 HA THR 44 HA THR 44 1.092 -5.818 -7.124 348 HB THR 44 HB THR 44 -0.024 -4.974 -4.635 349 HG1 THR 44 HG1 THR 44 -2.034 -5.412 -5.876 350 HG21 THR 44 3HG2 THR 44 1.388 -3.388 -5.366 351 HG22 THR 44 1HG2 THR 44 0.003 -2.771 -6.266 352 HG23 THR 44 2HG2 THR 44 1.164 -3.838 -7.056 353 H VAL 45 H VAL 45 2.508 -5.956 -5.186 354 HA VAL 45 HA VAL 45 2.191 -8.586 -3.910 355 HB VAL 45 HB VAL 45 4.220 -8.354 -5.248 356 HG11 VAL 45 1HG1 VAL 45 5.174 -6.239 -3.343 357 HG12 VAL 45 2HG1 VAL 45 5.865 -6.722 -4.894 358 HG13 VAL 45 3HG1 VAL 45 4.342 -5.833 -4.844 359 HG21 VAL 45 3HG2 VAL 45 4.135 -9.011 -2.454 360 HG22 VAL 45 1HG2 VAL 45 5.053 -9.771 -3.754 361 HG23 VAL 45 2HG2 VAL 45 5.729 -8.393 -2.885 362 H ASP 46 H ASP 46 1.516 -8.557 -1.879 363 HA ASP 46 HA ASP 46 2.599 -6.552 -0.043 364 HB2 ASP 46 2HB ASP 46 -0.350 -7.203 -0.224 365 HB3 ASP 46 3HB ASP 46 0.404 -6.100 0.924 366 H THR 47 H THR 47 2.552 -7.174 2.169 367 HA THR 47 HA THR 47 1.804 -9.951 2.728 368 HB THR 47 HB THR 47 4.149 -9.709 4.151 369 HG1 THR 47 HG1 THR 47 5.670 -9.074 2.472 370 HG21 THR 47 3HG2 THR 47 3.725 -11.763 3.175 371 HG22 THR 47 1HG2 THR 47 5.052 -11.168 2.179 372 HG23 THR 47 2HG2 THR 47 3.393 -11.060 1.592 373 H TYR 48 H TYR 48 1.335 -6.897 3.507 374 HA TYR 48 HA TYR 48 1.707 -6.956 6.358 375 HB2 TYR 48 2HB TYR 48 0.584 -5.023 4.385 376 HB3 TYR 48 3HB TYR 48 0.110 -4.852 6.071 377 HD1 TYR 48 HD1 TYR 48 2.297 -5.166 7.711 378 HD2 TYR 48 HD2 TYR 48 2.310 -3.653 3.734 379 HE1 TYR 48 HE1 TYR 48 4.391 -3.964 8.182 380 HE2 TYR 48 HE2 TYR 48 4.405 -2.448 4.193 381 HH TYR 48 HH TYR 48 5.629 -1.562 6.141 382 H ASN 49 H ASN 49 -1.033 -7.247 4.134 383 HA ASN 49 HA ASN 49 -2.808 -7.860 6.377 384 HB2 ASN 49 2HB ASN 49 -3.592 -7.660 3.471 385 HB3 ASN 49 3HB ASN 49 -4.628 -7.516 4.887 386 HD21 ASN 49 2HD2 ASN 49 -3.654 -4.195 3.325 387 HD22 ASN 49 1HD2 ASN 49 -4.120 -5.697 2.611 388 H ASN 50 H ASN 50 -0.657 -9.583 4.846 389 HA ASN 50 HA ASN 50 -0.342 -11.814 4.518 390 HB2 ASN 50 2HB ASN 50 -1.330 -12.755 6.312 391 HB3 ASN 50 3HB ASN 50 -2.732 -11.695 6.206 392 HD21 ASN 50 2HD2 ASN 50 -4.690 -13.926 4.341 393 HD22 ASN 50 1HD2 ASN 50 -4.439 -12.274 4.780 394 H ALA 51 H ALA 51 -2.342 -9.936 2.839 395 HA ALA 51 HA ALA 51 -3.797 -11.805 1.251 396 HB1 ALA 51 1HB ALA 51 -3.289 -9.344 -0.140 397 HB2 ALA 51 2HB ALA 51 -4.802 -9.966 0.518 398 HB3 ALA 51 3HB ALA 51 -3.720 -9.020 1.540 399 H VAL 52 H VAL 52 -3.325 -12.679 -0.728 400 HA VAL 52 HA VAL 52 -0.519 -12.848 -1.411 401 HB VAL 52 HB VAL 52 -2.792 -14.110 -2.932 402 HG11 VAL 52 1HG1 VAL 52 -0.792 -14.353 -4.124 403 HG12 VAL 52 2HG1 VAL 52 0.150 -14.641 -2.660 404 HG13 VAL 52 3HG1 VAL 52 -0.967 -15.874 -3.248 405 HG21 VAL 52 3HG2 VAL 52 -3.326 -15.109 -0.984 406 HG22 VAL 52 1HG2 VAL 52 -1.908 -16.100 -1.325 407 HG23 VAL 52 2HG2 VAL 52 -1.777 -14.718 -0.237 408 H ASP 53 H ASP 53 0.281 -12.512 -3.581 409 HA ASP 53 HA ASP 53 -0.782 -10.079 -4.734 410 HB2 ASP 53 2HB ASP 53 1.233 -10.105 -6.127 411 HB3 ASP 53 3HB ASP 53 1.643 -10.337 -4.429 412 H CYS 54 H CYS 54 -2.654 -10.547 -5.809 413 HA CYS 54 HA CYS 54 -2.388 -11.787 -8.383 414 HB2 CYS 54 2HB CYS 54 -3.724 -13.209 -6.138 415 HB3 CYS 54 3HB CYS 54 -4.519 -13.263 -7.708 416 H ASP 55 H ASP 55 -3.537 -10.578 -9.724 417 HA ASP 55 HA ASP 55 -6.219 -9.959 -9.534 418 HB2 ASP 55 2HB ASP 55 -4.533 -8.182 -7.944 419 HB3 ASP 55 3HB ASP 55 -5.509 -7.316 -9.127 Start of MODEL 4 1 H1 ALA 1 H ALA 1 0.407 0.481 -3.779 2 HA ALA 1 HA ALA 1 0.789 -0.589 -1.778 3 HB1 ALA 1 1HB ALA 1 -0.868 -2.060 -1.655 4 HB2 ALA 1 2HB ALA 1 -1.004 -1.980 -3.412 5 HB3 ALA 1 3HB ALA 1 0.011 -3.212 -2.662 6 H LYS 2 H LYS 2 2.990 -0.598 -1.448 7 HA LYS 2 HA LYS 2 5.018 -1.544 -1.023 8 HB2 LYS 2 2HB LYS 2 3.218 -3.773 -1.179 9 HB3 LYS 2 3HB LYS 2 4.755 -4.220 -1.909 10 HG2 LYS 2 2HG LYS 2 4.533 -2.969 0.815 11 HG3 LYS 2 3HG LYS 2 4.520 -4.713 0.542 12 HD2 LYS 2 2HD LYS 2 6.716 -3.108 -0.667 13 HD3 LYS 2 3HD LYS 2 6.759 -3.411 1.072 14 HE2 LYS 2 2HE LYS 2 7.777 -5.327 0.511 15 HE3 LYS 2 3HE LYS 2 6.159 -5.883 0.085 16 HZ1 LYS 2 3HZ LYS 2 6.780 -6.057 -2.018 17 HZ2 LYS 2 1HZ LYS 2 8.359 -5.627 -1.588 18 HZ3 LYS 2 2HZ LYS 2 7.259 -4.436 -2.069 19 H TYR 3 H TYR 3 4.022 -3.605 -3.740 20 HA TYR 3 HA TYR 3 5.931 -2.210 -5.471 21 HB2 TYR 3 2HB TYR 3 6.552 -4.629 -4.273 22 HB3 TYR 3 3HB TYR 3 5.987 -5.101 -5.871 23 HD1 TYR 3 HD1 TYR 3 8.664 -3.585 -3.974 24 HD2 TYR 3 HD2 TYR 3 7.129 -4.186 -7.896 25 HE1 TYR 3 HE1 TYR 3 10.858 -2.994 -4.916 26 HE2 TYR 3 HE2 TYR 3 9.319 -3.598 -8.849 27 HH TYR 3 HH TYR 3 12.142 -3.306 -6.927 28 H THR 4 H THR 4 5.654 -2.744 -7.764 29 HA THR 4 HA THR 4 2.828 -3.034 -8.392 30 HB THR 4 HB THR 4 5.083 -2.463 -10.319 31 HG1 THR 4 HG1 THR 4 5.158 -0.540 -9.459 32 HG21 THR 4 3HG2 THR 4 3.355 -2.817 -11.735 33 HG22 THR 4 1HG2 THR 4 2.900 -1.180 -11.265 34 HG23 THR 4 2HG2 THR 4 2.140 -2.565 -10.482 35 H GLY 5 H GLY 5 2.002 -4.960 -8.850 36 HA2 GLY 5 2HA GLY 5 3.724 -6.915 -10.247 37 HA3 GLY 5 3HA GLY 5 2.616 -7.385 -8.967 38 H LYS 6 H LYS 6 2.434 -8.666 -11.337 39 HA LYS 6 HA LYS 6 -0.202 -7.828 -12.250 40 HB2 LYS 6 2HB LYS 6 0.938 -8.575 -14.635 41 HB3 LYS 6 3HB LYS 6 0.635 -6.919 -14.126 42 HG2 LYS 6 2HG LYS 6 2.874 -6.659 -13.364 43 HG3 LYS 6 3HG LYS 6 3.205 -8.381 -13.574 44 HD2 LYS 6 2HD LYS 6 3.060 -8.191 -15.950 45 HD3 LYS 6 3HD LYS 6 2.448 -6.539 -15.838 46 HE2 LYS 6 2HE LYS 6 5.060 -7.081 -14.560 47 HE3 LYS 6 3HE LYS 6 5.019 -7.130 -16.322 48 HZ1 LYS 6 3HZ LYS 6 5.254 -4.933 -16.199 49 HZ2 LYS 6 1HZ LYS 6 4.860 -4.877 -14.555 50 HZ3 LYS 6 2HZ LYS 6 3.633 -4.877 -15.718 51 H CYS 7 H CYS 7 -1.528 -9.516 -12.530 52 HA CYS 7 HA CYS 7 -0.318 -12.199 -12.696 53 HB2 CYS 7 2HB CYS 7 -1.391 -12.700 -10.800 54 HB3 CYS 7 3HB CYS 7 -2.156 -11.114 -10.772 55 H THR 8 H THR 8 -1.251 -13.694 -14.067 56 HA THR 8 HA THR 8 -3.060 -12.560 -16.078 57 HB THR 8 HB THR 8 -1.016 -13.447 -17.011 58 HG1 THR 8 HG1 THR 8 -3.100 -13.866 -18.083 59 HG21 THR 8 3HG2 THR 8 -1.347 -16.249 -16.556 60 HG22 THR 8 1HG2 THR 8 -1.299 -15.417 -15.002 61 HG23 THR 8 2HG2 THR 8 0.025 -15.218 -16.151 62 H LYS 9 H LYS 9 -5.132 -13.097 -16.032 63 HA LYS 9 HA LYS 9 -6.220 -14.976 -14.240 64 HB2 LYS 9 2HB LYS 9 -8.332 -14.637 -15.575 65 HB3 LYS 9 3HB LYS 9 -7.597 -13.168 -14.947 66 HG2 LYS 9 2HG LYS 9 -6.609 -13.789 -17.588 67 HG3 LYS 9 3HG LYS 9 -8.370 -13.665 -17.564 68 HD2 LYS 9 2HD LYS 9 -7.782 -11.511 -16.100 69 HD3 LYS 9 3HD LYS 9 -6.306 -11.596 -17.065 70 HE2 LYS 9 2HE LYS 9 -8.734 -11.974 -18.635 71 HE3 LYS 9 3HE LYS 9 -8.669 -10.409 -17.825 72 HZ1 LYS 9 3HZ LYS 9 -6.163 -10.756 -18.867 73 HZ2 LYS 9 1HZ LYS 9 -7.381 -9.764 -19.496 74 HZ3 LYS 9 2HZ LYS 9 -7.189 -11.340 -20.078 75 H SER 10 H SER 10 -4.737 -15.390 -17.256 76 HA SER 10 HA SER 10 -6.175 -17.632 -18.223 77 HB2 SER 10 2HB SER 10 -3.264 -17.297 -18.820 78 HB3 SER 10 3HB SER 10 -4.585 -17.745 -19.899 79 HG SER 10 HG SER 10 -3.527 -15.344 -19.512 80 H LYS 11 H LYS 11 -3.253 -17.310 -16.246 81 HA LYS 11 HA LYS 11 -3.322 -20.207 -15.747 82 HB2 LYS 11 2HB LYS 11 -1.133 -18.161 -15.664 83 HB3 LYS 11 3HB LYS 11 -0.984 -19.639 -14.722 84 HG2 LYS 11 2HG LYS 11 -0.952 -20.990 -16.628 85 HG3 LYS 11 3HG LYS 11 -1.597 -19.708 -17.655 86 HD2 LYS 11 2HD LYS 11 0.442 -18.904 -18.081 87 HD3 LYS 11 3HD LYS 11 0.887 -18.931 -16.373 88 HE2 LYS 11 2HE LYS 11 0.738 -21.579 -17.607 89 HE3 LYS 11 3HE LYS 11 1.958 -20.527 -18.323 90 HZ1 LYS 11 3HZ LYS 11 3.067 -20.316 -16.299 91 HZ2 LYS 11 1HZ LYS 11 2.647 -21.954 -16.355 92 HZ3 LYS 11 2HZ LYS 11 1.754 -20.885 -15.397 93 H ASN 12 H ASN 12 -4.116 -17.246 -14.371 94 HA ASN 12 HA ASN 12 -4.857 -16.634 -12.310 95 HB2 ASN 12 2HB ASN 12 -5.619 -19.279 -12.584 96 HB3 ASN 12 3HB ASN 12 -4.776 -19.264 -11.038 97 HD21 ASN 12 2HD2 ASN 12 -7.678 -18.233 -9.491 98 HD22 ASN 12 1HD2 ASN 12 -6.349 -19.334 -9.582 99 H GLU 13 H GLU 13 -2.190 -16.317 -12.717 100 HA GLU 13 HA GLU 13 -1.137 -16.716 -10.019 101 HB2 GLU 13 2HB GLU 13 0.694 -17.171 -12.347 102 HB3 GLU 13 3HB GLU 13 0.872 -17.692 -10.677 103 HG2 GLU 13 2HG GLU 13 -0.891 -19.338 -10.985 104 HG3 GLU 13 3HG GLU 13 -1.112 -18.802 -12.650 105 H CYS 14 H CYS 14 0.691 -15.306 -9.527 106 HA CYS 14 HA CYS 14 0.756 -12.904 -11.233 107 HB2 CYS 14 2HB CYS 14 -0.446 -12.912 -8.840 108 HB3 CYS 14 3HB CYS 14 1.205 -12.610 -8.309 109 H LYS 15 H LYS 15 2.716 -11.927 -11.549 110 HA LYS 15 HA LYS 15 5.051 -13.013 -10.151 111 HB2 LYS 15 2HB LYS 15 6.262 -13.443 -12.145 112 HB3 LYS 15 3HB LYS 15 4.690 -14.204 -12.355 113 HG2 LYS 15 2HG LYS 15 5.344 -11.475 -13.430 114 HG3 LYS 15 3HG LYS 15 5.589 -12.963 -14.347 115 HD2 LYS 15 2HD LYS 15 2.997 -13.174 -13.376 116 HD3 LYS 15 3HD LYS 15 3.151 -11.477 -13.838 117 HE2 LYS 15 2HE LYS 15 3.455 -11.967 -16.053 118 HE3 LYS 15 3HE LYS 15 4.170 -13.543 -15.718 119 HZ1 LYS 15 3HZ LYS 15 2.208 -14.481 -16.044 120 HZ2 LYS 15 1HZ LYS 15 1.538 -12.975 -16.425 121 HZ3 LYS 15 2HZ LYS 15 1.504 -13.536 -14.830 122 H TYR 16 H TYR 16 6.732 -11.582 -9.880 123 HA TYR 16 HA TYR 16 6.603 -8.975 -11.174 124 HB2 TYR 16 2HB TYR 16 6.602 -7.716 -9.139 125 HB3 TYR 16 3HB TYR 16 5.252 -8.841 -9.054 126 HD1 TYR 16 HD1 TYR 16 5.800 -11.134 -7.864 127 HD2 TYR 16 HD2 TYR 16 8.011 -7.540 -7.315 128 HE1 TYR 16 HE1 TYR 16 6.640 -11.986 -5.715 129 HE2 TYR 16 HE2 TYR 16 8.858 -8.383 -5.165 130 HH TYR 16 HH TYR 16 8.985 -11.332 -4.266 131 H LYS 17 H LYS 17 8.547 -7.651 -10.689 132 HA LYS 17 HA LYS 17 10.897 -9.355 -10.712 133 HB2 LYS 17 2HB LYS 17 10.603 -7.520 -12.367 134 HB3 LYS 17 3HB LYS 17 10.696 -6.357 -11.050 135 HG2 LYS 17 2HG LYS 17 12.955 -8.105 -10.932 136 HG3 LYS 17 3HG LYS 17 12.802 -7.439 -12.560 137 HD2 LYS 17 2HD LYS 17 13.225 -5.316 -11.875 138 HD3 LYS 17 3HD LYS 17 12.438 -5.549 -10.312 139 HE2 LYS 17 2HE LYS 17 14.742 -7.223 -10.442 140 HE3 LYS 17 3HE LYS 17 15.204 -5.589 -10.916 141 HZ1 LYS 17 3HZ LYS 17 13.744 -6.293 -8.427 142 HZ2 LYS 17 1HZ LYS 17 14.261 -4.746 -8.876 143 HZ3 LYS 17 2HZ LYS 17 15.397 -5.948 -8.521 144 H ASN 18 H ASN 18 11.957 -9.833 -8.914 145 HA ASN 18 HA ASN 18 11.855 -7.929 -6.670 146 HB2 ASN 18 2HB ASN 18 12.627 -10.137 -5.414 147 HB3 ASN 18 3HB ASN 18 10.927 -9.815 -5.742 148 HD21 ASN 18 2HD2 ASN 18 12.883 -12.591 -8.034 149 HD22 ASN 18 1HD2 ASN 18 13.731 -11.225 -7.403 150 H SER 19 H SER 19 13.824 -8.240 -5.158 151 HA SER 19 HA SER 19 16.104 -7.339 -6.438 152 HB2 SER 19 2HB SER 19 15.336 -7.908 -3.778 153 HB3 SER 19 3HB SER 19 16.859 -8.755 -4.051 154 HG SER 19 HG SER 19 16.316 -5.992 -4.353 155 H ALA 20 H ALA 20 15.026 -10.600 -5.870 156 HA ALA 20 HA ALA 20 17.387 -12.028 -6.161 157 HB1 ALA 20 1HB ALA 20 14.685 -12.641 -5.978 158 HB2 ALA 20 2HB ALA 20 15.193 -13.333 -7.519 159 HB3 ALA 20 3HB ALA 20 16.027 -13.784 -6.033 160 H GLY 21 H GLY 21 15.302 -10.593 -8.614 161 HA2 GLY 21 2HA GLY 21 16.026 -9.877 -10.733 162 HA3 GLY 21 3HA GLY 21 17.464 -10.871 -10.553 163 H LYS 22 H LYS 22 15.461 -13.068 -9.659 164 HA LYS 22 HA LYS 22 15.039 -14.080 -12.367 165 HB2 LYS 22 2HB LYS 22 15.191 -15.342 -9.653 166 HB3 LYS 22 3HB LYS 22 14.407 -16.201 -10.972 167 HG2 LYS 22 2HG LYS 22 16.605 -15.684 -12.260 168 HG3 LYS 22 3HG LYS 22 17.274 -15.444 -10.645 169 HD2 LYS 22 2HD LYS 22 17.091 -17.648 -10.094 170 HD3 LYS 22 3HD LYS 22 15.665 -17.894 -11.106 171 HE2 LYS 22 2HE LYS 22 17.192 -17.658 -13.101 172 HE3 LYS 22 3HE LYS 22 18.545 -17.727 -11.972 173 HZ1 LYS 22 3HZ LYS 22 18.415 -19.921 -12.072 174 HZ2 LYS 22 1HZ LYS 22 17.036 -19.852 -13.050 175 HZ3 LYS 22 2HZ LYS 22 16.879 -19.861 -11.366 176 H ASP 23 H ASP 23 13.102 -14.118 -13.293 177 HA ASP 23 HA ASP 23 10.827 -12.969 -12.154 178 HB2 ASP 23 2HB ASP 23 9.607 -14.046 -14.083 179 HB3 ASP 23 3HB ASP 23 11.000 -13.067 -14.534 180 H THR 24 H THR 24 9.534 -13.694 -10.613 181 HA THR 24 HA THR 24 9.207 -16.608 -10.301 182 HB THR 24 HB THR 24 10.422 -15.509 -8.415 183 HG1 THR 24 HG1 THR 24 7.856 -16.616 -7.842 184 HG21 THR 24 3HG2 THR 24 8.852 -13.416 -8.663 185 HG22 THR 24 1HG2 THR 24 9.492 -13.874 -7.085 186 HG23 THR 24 2HG2 THR 24 7.840 -14.305 -7.525 187 H PHE 25 H PHE 25 7.180 -17.427 -10.180 188 HA PHE 25 HA PHE 25 4.944 -15.510 -10.204 189 HB2 PHE 25 2HB PHE 25 3.778 -17.279 -11.656 190 HB3 PHE 25 3HB PHE 25 5.026 -16.300 -12.420 191 HD1 PHE 25 HD1 PHE 25 4.190 -19.624 -11.117 192 HD2 PHE 25 HD2 PHE 25 7.084 -17.268 -13.163 193 HE1 PHE 25 HE1 PHE 25 5.371 -21.673 -11.798 194 HE2 PHE 25 HE2 PHE 25 8.269 -19.312 -13.849 195 HZ PHE 25 HZ PHE 25 7.412 -21.518 -13.167 196 H ILE 26 H ILE 26 3.100 -16.063 -9.078 197 HA ILE 26 HA ILE 26 3.222 -18.551 -7.506 198 HB ILE 26 HB ILE 26 3.806 -16.704 -6.038 199 HG12 ILE 26 2HG1 ILE 26 0.953 -17.388 -5.376 200 HG13 ILE 26 3HG1 ILE 26 2.207 -18.623 -5.353 201 HG21 ILE 26 1HG2 ILE 26 2.642 -14.959 -7.405 202 HG22 ILE 26 2HG2 ILE 26 1.126 -15.491 -6.679 203 HG23 ILE 26 3HG2 ILE 26 2.401 -14.815 -5.664 204 HD11 ILE 26 3HD1 ILE 26 1.501 -16.855 -3.308 205 HD12 ILE 26 1HD1 ILE 26 2.856 -17.984 -3.341 206 HD13 ILE 26 2HD1 ILE 26 3.078 -16.322 -3.890 207 H LYS 27 H LYS 27 1.485 -19.793 -7.705 208 HA LYS 27 HA LYS 27 -0.851 -18.764 -9.098 209 HB2 LYS 27 2HB LYS 27 -1.557 -21.098 -9.227 210 HB3 LYS 27 3HB LYS 27 0.100 -20.918 -9.788 211 HG2 LYS 27 2HG LYS 27 0.639 -22.573 -8.418 212 HG3 LYS 27 3HG LYS 27 0.344 -21.463 -7.077 213 HD2 LYS 27 2HD LYS 27 -1.939 -22.202 -6.900 214 HD3 LYS 27 3HD LYS 27 -1.775 -23.190 -8.353 215 HE2 LYS 27 2HE LYS 27 0.036 -23.646 -6.018 216 HE3 LYS 27 3HE LYS 27 -1.603 -24.296 -6.001 217 HZ1 LYS 27 3HZ LYS 27 -1.040 -25.893 -7.422 218 HZ2 LYS 27 1HZ LYS 27 0.574 -25.481 -7.124 219 HZ3 LYS 27 2HZ LYS 27 -0.233 -24.826 -8.458 220 H CYS 28 H CYS 28 -2.864 -18.539 -8.243 221 HA CYS 28 HA CYS 28 -3.141 -19.069 -5.357 222 HB2 CYS 28 2HB CYS 28 -4.589 -16.901 -6.878 223 HB3 CYS 28 3HB CYS 28 -4.485 -17.108 -5.133 224 HA PRO 29 HA PRO 29 -6.586 -21.636 -6.285 225 HB2 PRO 29 2HB PRO 29 -7.984 -21.395 -3.970 226 HB3 PRO 29 3HB PRO 29 -6.485 -22.323 -4.095 227 HG2 PRO 29 2HG PRO 29 -6.912 -19.545 -3.066 228 HG3 PRO 29 3HG PRO 29 -5.904 -20.842 -2.399 229 HD2 PRO 29 2HD PRO 29 -4.879 -18.807 -3.861 230 HD3 PRO 29 3HD PRO 29 -4.185 -20.441 -3.881 231 H LYS 30 H LYS 30 -9.169 -21.422 -5.479 232 HA LYS 30 HA LYS 30 -10.059 -18.963 -6.827 233 HB2 LYS 30 2HB LYS 30 -11.283 -21.708 -6.621 234 HB3 LYS 30 3HB LYS 30 -12.211 -20.311 -7.150 235 HG2 LYS 30 2HG LYS 30 -9.771 -20.413 -8.623 236 HG3 LYS 30 3HG LYS 30 -10.558 -21.992 -8.688 237 HD2 LYS 30 2HD LYS 30 -11.416 -20.769 -10.517 238 HD3 LYS 30 3HD LYS 30 -12.685 -20.750 -9.291 239 HE2 LYS 30 2HE LYS 30 -12.479 -18.548 -10.233 240 HE3 LYS 30 3HE LYS 30 -11.888 -18.514 -8.573 241 HZ1 LYS 30 3HZ LYS 30 -9.883 -17.891 -9.254 242 HZ2 LYS 30 1HZ LYS 30 -10.556 -17.618 -10.783 243 HZ3 LYS 30 2HZ LYS 30 -9.808 -19.096 -10.439 244 H PHE 31 H PHE 31 -9.531 -19.793 -3.842 245 HA PHE 31 HA PHE 31 -12.124 -19.256 -2.663 246 HB2 PHE 31 2HB PHE 31 -10.042 -20.744 -1.803 247 HB3 PHE 31 3HB PHE 31 -9.697 -19.236 -0.964 248 HD1 PHE 31 HD1 PHE 31 -10.430 -19.189 1.199 249 HD2 PHE 31 HD2 PHE 31 -12.744 -21.264 -1.709 250 HE1 PHE 31 HE1 PHE 31 -12.074 -19.777 2.932 251 HE2 PHE 31 HE2 PHE 31 -14.393 -21.855 0.020 252 HZ PHE 31 HZ PHE 31 -14.059 -21.110 2.344 253 H ASP 32 H ASP 32 -12.022 -17.633 -0.720 254 HA ASP 32 HA ASP 32 -11.775 -15.057 -1.798 255 HB2 ASP 32 2HB ASP 32 -12.250 -16.167 0.931 256 HB3 ASP 32 3HB ASP 32 -11.833 -14.461 0.788 257 H ASN 33 H ASN 33 -10.378 -13.310 -1.102 258 HA ASN 33 HA ASN 33 -8.307 -12.381 -0.927 259 HB2 ASN 33 2HB ASN 33 -8.767 -13.165 1.448 260 HB3 ASN 33 3HB ASN 33 -7.739 -14.550 1.094 261 HD21 ASN 33 2HD2 ASN 33 -5.549 -12.168 2.712 262 HD22 ASN 33 1HD2 ASN 33 -6.866 -13.216 3.103 263 H LYS 34 H LYS 34 -8.746 -14.755 -2.739 264 HA LYS 34 HA LYS 34 -5.944 -15.120 -3.423 265 HB2 LYS 34 2HB LYS 34 -7.783 -17.352 -2.622 266 HB3 LYS 34 3HB LYS 34 -6.499 -17.639 -3.789 267 HG2 LYS 34 2HG LYS 34 -5.231 -18.094 -2.016 268 HG3 LYS 34 3HG LYS 34 -5.174 -16.346 -1.775 269 HD2 LYS 34 2HD LYS 34 -6.753 -16.395 -0.089 270 HD3 LYS 34 3HD LYS 34 -7.447 -17.921 -0.642 271 HE2 LYS 34 2HE LYS 34 -6.302 -18.542 1.276 272 HE3 LYS 34 3HE LYS 34 -5.153 -18.924 -0.004 273 HZ1 LYS 34 3HZ LYS 34 -3.730 -17.710 1.180 274 HZ2 LYS 34 1HZ LYS 34 -4.946 -17.009 2.124 275 HZ3 LYS 34 2HZ LYS 34 -4.565 -16.353 0.613 276 H LYS 35 H LYS 35 -8.065 -13.650 -4.631 277 HA LYS 35 HA LYS 35 -8.872 -15.209 -6.956 278 HB2 LYS 35 2HB LYS 35 -10.393 -13.511 -7.437 279 HB3 LYS 35 3HB LYS 35 -10.349 -13.512 -5.679 280 HG2 LYS 35 2HG LYS 35 -8.773 -11.624 -5.738 281 HG3 LYS 35 3HG LYS 35 -8.894 -11.604 -7.499 282 HD2 LYS 35 2HD LYS 35 -11.503 -11.572 -6.239 283 HD3 LYS 35 3HD LYS 35 -10.501 -10.221 -5.704 284 HE2 LYS 35 2HE LYS 35 -10.417 -10.754 -8.590 285 HE3 LYS 35 3HE LYS 35 -11.992 -10.248 -7.980 286 HZ1 LYS 35 3HZ LYS 35 -9.440 -8.787 -7.559 287 HZ2 LYS 35 1HZ LYS 35 -10.966 -8.295 -7.019 288 HZ3 LYS 35 2HZ LYS 35 -10.638 -8.363 -8.677 289 H CYS 36 H CYS 36 -8.438 -14.511 -9.119 290 HA CYS 36 HA CYS 36 -5.988 -12.889 -9.361 291 HB2 CYS 36 2HB CYS 36 -6.126 -15.549 -9.893 292 HB3 CYS 36 3HB CYS 36 -6.525 -14.883 -11.473 293 H THR 37 H THR 37 -5.957 -11.311 -10.872 294 HA THR 37 HA THR 37 -8.194 -11.157 -12.773 295 HB THR 37 HB THR 37 -7.289 -8.560 -11.718 296 HG1 THR 37 HG1 THR 37 -9.034 -10.095 -10.094 297 HG21 THR 37 3HG2 THR 37 -9.972 -8.570 -11.531 298 HG22 THR 37 1HG2 THR 37 -9.753 -9.851 -12.722 299 HG23 THR 37 2HG2 THR 37 -9.110 -8.239 -13.033 300 H LYS 38 H LYS 38 -7.651 -8.936 -14.131 301 HA LYS 38 HA LYS 38 -5.668 -9.597 -15.914 302 HB2 LYS 38 2HB LYS 38 -7.481 -7.487 -15.595 303 HB3 LYS 38 3HB LYS 38 -5.903 -6.718 -15.709 304 HG2 LYS 38 2HG LYS 38 -5.501 -8.022 -17.797 305 HG3 LYS 38 3HG LYS 38 -7.175 -8.575 -17.706 306 HD2 LYS 38 2HD LYS 38 -6.330 -5.680 -17.814 307 HD3 LYS 38 3HD LYS 38 -6.850 -6.625 -19.212 308 HE2 LYS 38 2HE LYS 38 -8.979 -6.220 -18.728 309 HE3 LYS 38 3HE LYS 38 -8.773 -6.918 -17.123 310 HZ1 LYS 38 3HZ LYS 38 -9.203 -4.866 -16.404 311 HZ2 LYS 38 1HZ LYS 38 -8.919 -4.158 -17.914 312 HZ3 LYS 38 2HZ LYS 38 -7.624 -4.484 -16.876 313 H ASP 39 H ASP 39 -3.563 -8.795 -16.329 314 HA ASP 39 HA ASP 39 -1.816 -8.794 -14.178 315 HB2 ASP 39 2HB ASP 39 -0.256 -7.578 -15.907 316 HB3 ASP 39 3HB ASP 39 -0.767 -9.240 -16.191 317 H ASN 40 H ASN 40 -2.827 -5.966 -16.106 318 HA ASN 40 HA ASN 40 -1.706 -4.154 -14.153 319 HB2 ASN 40 2HB ASN 40 -3.117 -3.804 -16.785 320 HB3 ASN 40 3HB ASN 40 -2.831 -2.427 -15.725 321 HD21 ASN 40 2HD2 ASN 40 0.591 -4.333 -16.843 322 HD22 ASN 40 1HD2 ASN 40 -0.719 -5.200 -16.124 323 H ASN 41 H ASN 41 -4.491 -5.901 -14.295 324 HA ASN 41 HA ASN 41 -6.583 -4.219 -13.702 325 HB2 ASN 41 2HB ASN 41 -6.844 -6.641 -13.987 326 HB3 ASN 41 3HB ASN 41 -6.008 -6.919 -12.462 327 HD21 ASN 41 2HD2 ASN 41 -8.793 -6.407 -10.473 328 HD22 ASN 41 1HD2 ASN 41 -7.104 -6.757 -10.582 329 H LYS 42 H LYS 42 -5.321 -6.101 -11.009 330 HA LYS 42 HA LYS 42 -4.627 -3.741 -9.487 331 HB2 LYS 42 2HB LYS 42 -7.061 -5.398 -8.883 332 HB3 LYS 42 3HB LYS 42 -6.209 -4.545 -7.602 333 HG2 LYS 42 2HG LYS 42 -6.485 -2.480 -9.153 334 HG3 LYS 42 3HG LYS 42 -7.760 -3.445 -9.901 335 HD2 LYS 42 2HD LYS 42 -8.118 -3.652 -7.114 336 HD3 LYS 42 3HD LYS 42 -7.819 -1.947 -7.458 337 HE2 LYS 42 2HE LYS 42 -9.554 -2.182 -9.305 338 HE3 LYS 42 3HE LYS 42 -9.972 -3.729 -8.570 339 HZ1 LYS 42 3HZ LYS 42 -10.219 -1.026 -7.391 340 HZ2 LYS 42 1HZ LYS 42 -10.280 -2.428 -6.446 341 HZ3 LYS 42 2HZ LYS 42 -11.438 -2.170 -7.652 342 H CYS 43 H CYS 43 -3.215 -6.061 -10.412 343 HA CYS 43 HA CYS 43 -2.857 -7.827 -8.162 344 HB2 CYS 43 2HB CYS 43 -2.575 -8.768 -10.355 345 HB3 CYS 43 3HB CYS 43 -1.389 -7.540 -10.787 346 H THR 44 H THR 44 -1.509 -7.556 -6.513 347 HA THR 44 HA THR 44 0.917 -5.984 -6.818 348 HB THR 44 HB THR 44 -0.130 -5.057 -4.379 349 HG1 THR 44 HG1 THR 44 -2.219 -5.625 -5.236 350 HG21 THR 44 3HG2 THR 44 1.081 -3.409 -5.296 351 HG22 THR 44 1HG2 THR 44 -0.397 -2.963 -6.148 352 HG23 THR 44 2HG2 THR 44 0.796 -3.997 -6.934 353 H VAL 45 H VAL 45 2.316 -6.123 -4.887 354 HA VAL 45 HA VAL 45 1.962 -8.725 -3.567 355 HB VAL 45 HB VAL 45 4.006 -8.626 -4.820 356 HG11 VAL 45 1HG1 VAL 45 5.049 -6.700 -5.175 357 HG12 VAL 45 2HG1 VAL 45 4.024 -5.904 -3.979 358 HG13 VAL 45 3HG1 VAL 45 5.538 -6.662 -3.482 359 HG21 VAL 45 3HG2 VAL 45 5.241 -8.180 -2.204 360 HG22 VAL 45 1HG2 VAL 45 3.866 -9.284 -2.175 361 HG23 VAL 45 2HG2 VAL 45 5.241 -9.615 -3.229 362 H ASP 46 H ASP 46 1.236 -8.650 -1.554 363 HA ASP 46 HA ASP 46 2.309 -6.628 0.271 364 HB2 ASP 46 2HB ASP 46 -0.640 -7.267 0.051 365 HB3 ASP 46 3HB ASP 46 0.100 -6.153 1.197 366 H THR 47 H THR 47 2.185 -7.209 2.502 367 HA THR 47 HA THR 47 1.437 -9.979 3.081 368 HB THR 47 HB THR 47 3.829 -10.069 2.563 369 HG1 THR 47 HG1 THR 47 3.662 -10.254 5.377 370 HG21 THR 47 3HG2 THR 47 5.076 -8.274 3.026 371 HG22 THR 47 1HG2 THR 47 5.064 -8.803 4.708 372 HG23 THR 47 2HG2 THR 47 3.867 -7.638 4.141 373 H TYR 48 H TYR 48 0.929 -6.922 3.801 374 HA TYR 48 HA TYR 48 1.236 -6.928 6.660 375 HB2 TYR 48 2HB TYR 48 0.001 -5.045 4.673 376 HB3 TYR 48 3HB TYR 48 -0.267 -4.823 6.398 377 HD1 TYR 48 HD1 TYR 48 1.500 -3.468 3.910 378 HD2 TYR 48 HD2 TYR 48 2.245 -5.362 7.646 379 HE1 TYR 48 HE1 TYR 48 3.642 -2.271 4.082 380 HE2 TYR 48 HE2 TYR 48 4.389 -4.170 7.829 381 HH TYR 48 HH TYR 48 5.226 -1.686 6.590 382 H ASN 49 H ASN 49 -1.451 -7.283 4.380 383 HA ASN 49 HA ASN 49 -3.265 -7.884 6.596 384 HB2 ASN 49 2HB ASN 49 -3.910 -6.283 4.738 385 HB3 ASN 49 3HB ASN 49 -3.965 -7.679 3.666 386 HD21 ASN 49 2HD2 ASN 49 -7.392 -7.366 4.616 387 HD22 ASN 49 1HD2 ASN 49 -6.215 -6.713 3.532 388 H ASN 50 H ASN 50 -1.072 -9.603 5.121 389 HA ASN 50 HA ASN 50 -0.735 -11.835 4.825 390 HB2 ASN 50 2HB ASN 50 -1.759 -12.803 6.578 391 HB3 ASN 50 3HB ASN 50 -3.136 -11.710 6.478 392 HD21 ASN 50 2HD2 ASN 50 -5.137 -13.875 4.578 393 HD22 ASN 50 1HD2 ASN 50 -4.848 -12.234 5.035 394 H ALA 51 H ALA 51 -2.705 -9.984 3.081 395 HA ALA 51 HA ALA 51 -4.127 -11.855 1.478 396 HB1 ALA 51 1HB ALA 51 -5.098 -9.992 0.773 397 HB2 ALA 51 2HB ALA 51 -3.921 -9.038 1.676 398 HB3 ALA 51 3HB ALA 51 -3.594 -9.485 0.002 399 H VAL 52 H VAL 52 -3.623 -12.760 -0.483 400 HA VAL 52 HA VAL 52 -0.802 -13.012 -1.075 401 HB VAL 52 HB VAL 52 -3.058 -14.234 -2.652 402 HG11 VAL 52 1HG1 VAL 52 -1.034 -14.553 -3.778 403 HG12 VAL 52 2HG1 VAL 52 -0.140 -14.830 -2.282 404 HG13 VAL 52 3HG1 VAL 52 -1.266 -16.051 -2.878 405 HG21 VAL 52 3HG2 VAL 52 -3.592 -14.922 -0.480 406 HG22 VAL 52 1HG2 VAL 52 -2.622 -16.246 -1.126 407 HG23 VAL 52 2HG2 VAL 52 -1.898 -15.082 -0.017 408 H ASP 53 H ASP 53 0.071 -12.731 -3.227 409 HA ASP 53 HA ASP 53 -0.901 -10.288 -4.445 410 HB2 ASP 53 2HB ASP 53 1.382 -11.739 -5.658 411 HB3 ASP 53 3HB ASP 53 1.202 -10.026 -5.284 412 H CYS 54 H CYS 54 -2.759 -10.785 -5.554 413 HA CYS 54 HA CYS 54 -2.416 -12.016 -8.121 414 HB2 CYS 54 2HB CYS 54 -3.776 -13.471 -5.914 415 HB3 CYS 54 3HB CYS 54 -4.542 -13.525 -7.498 416 H ASP 55 H ASP 55 -3.547 -10.813 -9.482 417 HA ASP 55 HA ASP 55 -6.244 -10.238 -9.353 418 HB2 ASP 55 2HB ASP 55 -4.628 -8.451 -7.708 419 HB3 ASP 55 3HB ASP 55 -5.566 -7.584 -8.921 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -1.372 -1.343 -2.138 2 HA ALA 1 HA ALA 1 0.516 -0.470 -3.352 3 HB1 ALA 1 1HB ALA 1 -0.130 1.574 -2.780 4 HB2 ALA 1 2HB ALA 1 -0.703 1.000 -1.213 5 HB3 ALA 1 3HB ALA 1 0.977 1.501 -1.409 6 H LYS 2 H LYS 2 2.272 -1.860 -3.374 7 HA LYS 2 HA LYS 2 4.449 -1.102 -1.617 8 HB2 LYS 2 2HB LYS 2 3.014 -3.653 -1.375 9 HB3 LYS 2 3HB LYS 2 4.757 -3.825 -1.534 10 HG2 LYS 2 2HG LYS 2 3.527 -1.959 0.466 11 HG3 LYS 2 3HG LYS 2 3.798 -3.668 0.817 12 HD2 LYS 2 2HD LYS 2 5.950 -1.766 -0.104 13 HD3 LYS 2 3HD LYS 2 5.630 -2.155 1.588 14 HE2 LYS 2 2HE LYS 2 7.100 -3.817 1.310 15 HE3 LYS 2 3HE LYS 2 5.812 -4.633 0.424 16 HZ1 LYS 2 3HZ LYS 2 8.135 -4.317 -0.655 17 HZ2 LYS 2 1HZ LYS 2 7.572 -2.759 -0.999 18 HZ3 LYS 2 2HZ LYS 2 6.741 -4.108 -1.590 19 H TYR 3 H TYR 3 3.879 -3.947 -3.674 20 HA TYR 3 HA TYR 3 6.085 -3.021 -5.395 21 HB2 TYR 3 2HB TYR 3 5.545 -5.594 -4.131 22 HB3 TYR 3 3HB TYR 3 5.812 -5.740 -5.865 23 HD1 TYR 3 HD1 TYR 3 7.878 -4.084 -6.641 24 HD2 TYR 3 HD2 TYR 3 7.418 -5.970 -2.855 25 HE1 TYR 3 HE1 TYR 3 10.307 -3.944 -6.282 26 HE2 TYR 3 HE2 TYR 3 9.846 -5.834 -2.485 27 HH TYR 3 HH TYR 3 12.007 -4.476 -4.954 28 H THR 4 H THR 4 5.823 -3.034 -7.585 29 HA THR 4 HA THR 4 3.096 -3.181 -8.551 30 HB THR 4 HB THR 4 5.209 -2.730 -10.543 31 HG1 THR 4 HG1 THR 4 4.861 -0.894 -8.386 32 HG21 THR 4 3HG2 THR 4 3.744 -0.643 -10.854 33 HG22 THR 4 1HG2 THR 4 2.657 -1.393 -9.686 34 HG23 THR 4 2HG2 THR 4 3.019 -2.211 -11.206 35 H GLY 5 H GLY 5 2.239 -4.984 -9.336 36 HA2 GLY 5 2HA GLY 5 3.950 -6.797 -10.897 37 HA3 GLY 5 3HA GLY 5 2.997 -7.448 -9.572 38 H LYS 6 H LYS 6 2.596 -8.535 -11.981 39 HA LYS 6 HA LYS 6 -0.106 -7.619 -12.632 40 HB2 LYS 6 2HB LYS 6 0.932 -8.457 -15.084 41 HB3 LYS 6 3HB LYS 6 0.536 -6.809 -14.614 42 HG2 LYS 6 2HG LYS 6 2.803 -6.444 -13.857 43 HG3 LYS 6 3HG LYS 6 3.217 -8.122 -14.214 44 HD2 LYS 6 2HD LYS 6 3.753 -7.518 -16.286 45 HD3 LYS 6 3HD LYS 6 2.076 -7.039 -16.558 46 HE2 LYS 6 2HE LYS 6 3.498 -5.175 -17.065 47 HE3 LYS 6 3HE LYS 6 2.612 -4.818 -15.583 48 HZ1 LYS 6 3HZ LYS 6 4.497 -4.654 -14.443 49 HZ2 LYS 6 1HZ LYS 6 5.315 -4.659 -15.924 50 HZ3 LYS 6 2HZ LYS 6 5.112 -6.102 -15.066 51 H CYS 7 H CYS 7 -1.520 -9.247 -12.804 52 HA CYS 7 HA CYS 7 -0.444 -11.981 -13.050 53 HB2 CYS 7 2HB CYS 7 -1.379 -12.365 -11.050 54 HB3 CYS 7 3HB CYS 7 -2.187 -10.800 -11.059 55 H THR 8 H THR 8 -1.491 -13.416 -14.386 56 HA THR 8 HA THR 8 -3.484 -12.226 -16.194 57 HB THR 8 HB THR 8 -1.487 -12.922 -17.365 58 HG1 THR 8 HG1 THR 8 -3.735 -13.462 -18.170 59 HG21 THR 8 3HG2 THR 8 -1.460 -15.023 -15.488 60 HG22 THR 8 1HG2 THR 8 -0.284 -14.698 -16.761 61 HG23 THR 8 2HG2 THR 8 -1.649 -15.770 -17.074 62 H LYS 9 H LYS 9 -5.509 -12.889 -15.990 63 HA LYS 9 HA LYS 9 -6.399 -14.833 -14.220 64 HB2 LYS 9 2HB LYS 9 -7.847 -13.076 -15.122 65 HB3 LYS 9 3HB LYS 9 -7.763 -13.810 -16.718 66 HG2 LYS 9 2HG LYS 9 -9.860 -14.355 -15.651 67 HG3 LYS 9 3HG LYS 9 -8.881 -15.811 -15.846 68 HD2 LYS 9 2HD LYS 9 -8.372 -15.914 -13.567 69 HD3 LYS 9 3HD LYS 9 -8.824 -14.229 -13.297 70 HE2 LYS 9 2HE LYS 9 -10.999 -15.885 -14.331 71 HE3 LYS 9 3HE LYS 9 -10.395 -16.410 -12.761 72 HZ1 LYS 9 3HZ LYS 9 -10.628 -13.983 -12.099 73 HZ2 LYS 9 1HZ LYS 9 -12.058 -14.870 -12.280 74 HZ3 LYS 9 2HZ LYS 9 -11.568 -13.799 -13.494 75 H SER 10 H SER 10 -5.097 -15.182 -17.381 76 HA SER 10 HA SER 10 -6.281 -17.586 -18.193 77 HB2 SER 10 2HB SER 10 -3.407 -16.990 -18.813 78 HB3 SER 10 3HB SER 10 -4.654 -17.672 -19.857 79 HG SER 10 HG SER 10 -3.894 -15.211 -19.831 80 H LYS 11 H LYS 11 -3.381 -16.976 -16.253 81 HA LYS 11 HA LYS 11 -3.225 -19.852 -15.659 82 HB2 LYS 11 2HB LYS 11 -1.221 -17.692 -15.906 83 HB3 LYS 11 3HB LYS 11 -0.944 -18.840 -14.602 84 HG2 LYS 11 2HG LYS 11 -1.621 -20.279 -16.968 85 HG3 LYS 11 3HG LYS 11 -0.338 -19.124 -17.338 86 HD2 LYS 11 2HD LYS 11 0.677 -21.183 -16.642 87 HD3 LYS 11 3HD LYS 11 0.915 -19.989 -15.364 88 HE2 LYS 11 2HE LYS 11 -1.150 -20.957 -14.265 89 HE3 LYS 11 3HE LYS 11 -1.045 -22.272 -15.433 90 HZ1 LYS 11 3HZ LYS 11 1.457 -22.185 -14.464 91 HZ2 LYS 11 1HZ LYS 11 0.245 -23.214 -13.887 92 HZ3 LYS 11 2HZ LYS 11 0.564 -21.755 -13.093 93 H ASN 12 H ASN 12 -4.159 -16.875 -14.362 94 HA ASN 12 HA ASN 12 -4.916 -16.240 -12.313 95 HB2 ASN 12 2HB ASN 12 -5.530 -18.955 -12.510 96 HB3 ASN 12 3HB ASN 12 -4.763 -18.792 -10.933 97 HD21 ASN 12 2HD2 ASN 12 -7.831 -17.901 -9.624 98 HD22 ASN 12 1HD2 ASN 12 -6.466 -18.961 -9.611 99 H GLU 13 H GLU 13 -2.168 -16.040 -12.822 100 HA GLU 13 HA GLU 13 -1.141 -16.196 -10.085 101 HB2 GLU 13 2HB GLU 13 0.993 -17.070 -10.797 102 HB3 GLU 13 3HB GLU 13 -0.279 -18.161 -11.331 103 HG2 GLU 13 2HG GLU 13 -0.167 -17.021 -13.569 104 HG3 GLU 13 3HG GLU 13 1.283 -16.204 -12.989 105 H CYS 14 H CYS 14 0.681 -14.763 -9.691 106 HA CYS 14 HA CYS 14 0.764 -12.504 -11.583 107 HB2 CYS 14 2HB CYS 14 -0.439 -12.195 -9.302 108 HB3 CYS 14 3HB CYS 14 1.187 -12.170 -8.627 109 H LYS 15 H LYS 15 2.744 -11.214 -11.507 110 HA LYS 15 HA LYS 15 5.086 -12.667 -10.496 111 HB2 LYS 15 2HB LYS 15 4.949 -11.455 -13.260 112 HB3 LYS 15 3HB LYS 15 6.283 -12.370 -12.570 113 HG2 LYS 15 2HG LYS 15 5.371 -14.052 -13.745 114 HG3 LYS 15 3HG LYS 15 4.316 -14.184 -12.336 115 HD2 LYS 15 2HD LYS 15 2.605 -13.926 -13.744 116 HD3 LYS 15 3HD LYS 15 3.108 -12.242 -13.901 117 HE2 LYS 15 2HE LYS 15 4.426 -14.321 -15.584 118 HE3 LYS 15 3HE LYS 15 2.812 -13.762 -16.019 119 HZ1 LYS 15 3HZ LYS 15 3.655 -11.496 -16.078 120 HZ2 LYS 15 1HZ LYS 15 4.516 -12.484 -17.148 121 HZ3 LYS 15 2HZ LYS 15 5.205 -12.038 -15.670 122 H TYR 16 H TYR 16 6.794 -11.394 -9.849 123 HA TYR 16 HA TYR 16 6.668 -8.516 -10.292 124 HB2 TYR 16 2HB TYR 16 6.693 -7.919 -7.989 125 HB3 TYR 16 3HB TYR 16 5.371 -9.064 -8.187 126 HD1 TYR 16 HD1 TYR 16 5.494 -11.288 -7.219 127 HD2 TYR 16 HD2 TYR 16 8.697 -8.527 -6.753 128 HE1 TYR 16 HE1 TYR 16 6.440 -12.696 -5.438 129 HE2 TYR 16 HE2 TYR 16 9.652 -9.928 -4.971 130 HH TYR 16 HH TYR 16 9.127 -11.630 -3.487 131 H LYS 17 H LYS 17 8.641 -7.410 -9.695 132 HA LYS 17 HA LYS 17 10.963 -9.102 -10.119 133 HB2 LYS 17 2HB LYS 17 10.551 -6.911 -11.336 134 HB3 LYS 17 3HB LYS 17 10.916 -6.100 -9.818 135 HG2 LYS 17 2HG LYS 17 13.042 -7.828 -10.163 136 HG3 LYS 17 3HG LYS 17 12.702 -7.240 -11.792 137 HD2 LYS 17 2HD LYS 17 13.170 -5.052 -11.243 138 HD3 LYS 17 3HD LYS 17 12.806 -5.292 -9.533 139 HE2 LYS 17 2HE LYS 17 14.915 -6.962 -9.847 140 HE3 LYS 17 3HE LYS 17 15.314 -5.706 -11.018 141 HZ1 LYS 17 3HZ LYS 17 16.226 -5.271 -8.794 142 HZ2 LYS 17 1HZ LYS 17 14.657 -5.205 -8.165 143 HZ3 LYS 17 2HZ LYS 17 15.163 -4.055 -9.298 144 H ASN 18 H ASN 18 12.371 -9.694 -8.596 145 HA ASN 18 HA ASN 18 12.129 -8.445 -5.939 146 HB2 ASN 18 2HB ASN 18 13.279 -10.698 -5.247 147 HB3 ASN 18 3HB ASN 18 11.547 -10.656 -5.562 148 HD21 ASN 18 2HD2 ASN 18 13.953 -13.021 -7.696 149 HD22 ASN 18 1HD2 ASN 18 14.467 -12.116 -6.316 150 H SER 19 H SER 19 14.292 -9.012 -4.640 151 HA SER 19 HA SER 19 16.302 -7.396 -5.774 152 HB2 SER 19 2HB SER 19 16.009 -7.635 -3.345 153 HB3 SER 19 3HB SER 19 16.496 -9.327 -3.449 154 HG SER 19 HG SER 19 18.034 -7.009 -3.651 155 H ALA 20 H ALA 20 15.868 -10.880 -5.606 156 HA ALA 20 HA ALA 20 18.438 -11.650 -6.448 157 HB1 ALA 20 1HB ALA 20 16.190 -13.342 -7.318 158 HB2 ALA 20 2HB ALA 20 17.636 -13.755 -6.394 159 HB3 ALA 20 3HB ALA 20 16.264 -12.992 -5.591 160 H GLY 21 H GLY 21 15.653 -10.490 -8.198 161 HA2 GLY 21 2HA GLY 21 15.739 -9.548 -10.352 162 HA3 GLY 21 3HA GLY 21 17.271 -10.366 -10.624 163 H LYS 22 H LYS 22 15.828 -12.856 -9.486 164 HA LYS 22 HA LYS 22 15.056 -13.880 -12.063 165 HB2 LYS 22 2HB LYS 22 16.262 -15.078 -10.050 166 HB3 LYS 22 3HB LYS 22 14.615 -15.395 -9.522 167 HG2 LYS 22 2HG LYS 22 14.412 -16.193 -12.066 168 HG3 LYS 22 3HG LYS 22 16.128 -16.508 -11.798 169 HD2 LYS 22 2HD LYS 22 13.920 -17.491 -9.995 170 HD3 LYS 22 3HD LYS 22 14.642 -18.446 -11.291 171 HE2 LYS 22 2HE LYS 22 16.321 -17.205 -9.137 172 HE3 LYS 22 3HE LYS 22 15.532 -18.763 -8.900 173 HZ1 LYS 22 3HZ LYS 22 17.204 -18.291 -11.280 174 HZ2 LYS 22 1HZ LYS 22 16.811 -19.754 -10.527 175 HZ3 LYS 22 2HZ LYS 22 17.922 -18.703 -9.805 176 H ASP 23 H ASP 23 13.096 -13.675 -12.898 177 HA ASP 23 HA ASP 23 10.888 -12.574 -11.653 178 HB2 ASP 23 2HB ASP 23 10.731 -14.588 -13.899 179 HB3 ASP 23 3HB ASP 23 9.602 -13.283 -13.546 180 H THR 24 H THR 24 9.344 -13.290 -10.322 181 HA THR 24 HA THR 24 9.228 -16.186 -9.779 182 HB THR 24 HB THR 24 10.144 -15.162 -7.832 183 HG1 THR 24 HG1 THR 24 7.436 -15.277 -7.080 184 HG21 THR 24 3HG2 THR 24 9.127 -13.273 -6.693 185 HG22 THR 24 1HG2 THR 24 7.834 -13.216 -7.891 186 HG23 THR 24 2HG2 THR 24 9.491 -12.839 -8.363 187 H PHE 25 H PHE 25 7.348 -17.119 -10.220 188 HA PHE 25 HA PHE 25 4.944 -15.423 -10.370 189 HB2 PHE 25 2HB PHE 25 4.084 -16.881 -12.082 190 HB3 PHE 25 3HB PHE 25 5.718 -16.408 -12.538 191 HD1 PHE 25 HD1 PHE 25 7.568 -18.018 -12.363 192 HD2 PHE 25 HD2 PHE 25 3.533 -19.146 -11.611 193 HE1 PHE 25 HE1 PHE 25 8.190 -20.388 -12.593 194 HE2 PHE 25 HE2 PHE 25 4.149 -21.516 -11.838 195 HZ PHE 25 HZ PHE 25 6.480 -22.140 -12.329 196 H ILE 26 H ILE 26 3.156 -16.003 -9.255 197 HA ILE 26 HA ILE 26 3.154 -18.606 -7.890 198 HB ILE 26 HB ILE 26 3.893 -16.998 -6.238 199 HG12 ILE 26 2HG1 ILE 26 0.981 -17.690 -5.799 200 HG13 ILE 26 3HG1 ILE 26 2.328 -18.796 -5.550 201 HG21 ILE 26 1HG2 ILE 26 1.339 -15.471 -6.687 202 HG22 ILE 26 2HG2 ILE 26 2.705 -15.025 -5.666 203 HG23 ILE 26 3HG2 ILE 26 2.879 -15.022 -7.420 204 HD11 ILE 26 3HD1 ILE 26 1.782 -16.254 -4.038 205 HD12 ILE 26 1HD1 ILE 26 1.608 -17.905 -3.442 206 HD13 ILE 26 2HD1 ILE 26 3.208 -17.269 -3.826 207 H LYS 27 H LYS 27 1.325 -19.688 -8.186 208 HA LYS 27 HA LYS 27 -0.928 -18.374 -9.453 209 HB2 LYS 27 2HB LYS 27 -1.778 -20.553 -9.877 210 HB3 LYS 27 3HB LYS 27 -0.043 -20.634 -10.152 211 HG2 LYS 27 2HG LYS 27 0.147 -21.511 -7.781 212 HG3 LYS 27 3HG LYS 27 -1.608 -21.701 -7.823 213 HD2 LYS 27 2HD LYS 27 -0.831 -22.871 -10.176 214 HD3 LYS 27 3HD LYS 27 0.491 -23.300 -9.088 215 HE2 LYS 27 2HE LYS 27 -0.851 -24.999 -8.491 216 HE3 LYS 27 3HE LYS 27 -1.667 -23.781 -7.512 217 HZ1 LYS 27 3HZ LYS 27 -3.366 -23.566 -9.052 218 HZ2 LYS 27 1HZ LYS 27 -3.065 -25.231 -9.067 219 HZ3 LYS 27 2HZ LYS 27 -2.470 -24.253 -10.311 220 H CYS 28 H CYS 28 -3.001 -18.224 -8.619 221 HA CYS 28 HA CYS 28 -3.235 -18.718 -5.723 222 HB2 CYS 28 2HB CYS 28 -4.712 -16.580 -7.261 223 HB3 CYS 28 3HB CYS 28 -4.601 -16.766 -5.514 224 HA PRO 29 HA PRO 29 -6.637 -21.361 -6.624 225 HB2 PRO 29 2HB PRO 29 -7.917 -21.246 -4.232 226 HB3 PRO 29 3HB PRO 29 -6.409 -22.137 -4.473 227 HG2 PRO 29 2HG PRO 29 -6.835 -19.413 -3.306 228 HG3 PRO 29 3HG PRO 29 -5.770 -20.716 -2.747 229 HD2 PRO 29 2HD PRO 29 -4.860 -18.600 -4.170 230 HD3 PRO 29 3HD PRO 29 -4.138 -20.217 -4.296 231 H LYS 30 H LYS 30 -9.178 -21.234 -5.676 232 HA LYS 30 HA LYS 30 -10.182 -18.736 -6.864 233 HB2 LYS 30 2HB LYS 30 -11.200 -21.550 -6.848 234 HB3 LYS 30 3HB LYS 30 -12.346 -20.226 -7.008 235 HG2 LYS 30 2HG LYS 30 -11.887 -20.046 -9.163 236 HG3 LYS 30 3HG LYS 30 -10.176 -19.796 -8.809 237 HD2 LYS 30 2HD LYS 30 -11.261 -22.566 -8.684 238 HD3 LYS 30 3HD LYS 30 -11.000 -21.837 -10.271 239 HE2 LYS 30 2HE LYS 30 -8.925 -22.078 -8.094 240 HE3 LYS 30 3HE LYS 30 -9.056 -23.136 -9.498 241 HZ1 LYS 30 3HZ LYS 30 -7.954 -21.676 -10.725 242 HZ2 LYS 30 1HZ LYS 30 -7.650 -20.774 -9.326 243 HZ3 LYS 30 2HZ LYS 30 -8.992 -20.413 -10.290 244 H PHE 31 H PHE 31 -9.485 -19.670 -3.956 245 HA PHE 31 HA PHE 31 -12.025 -19.283 -2.619 246 HB2 PHE 31 2HB PHE 31 -9.824 -20.697 -1.932 247 HB3 PHE 31 3HB PHE 31 -9.518 -19.207 -1.046 248 HD1 PHE 31 HD1 PHE 31 -12.389 -21.503 -1.705 249 HD2 PHE 31 HD2 PHE 31 -10.243 -19.153 1.122 250 HE1 PHE 31 HE1 PHE 31 -13.916 -22.253 0.072 251 HE2 PHE 31 HE2 PHE 31 -11.766 -19.901 2.904 252 HZ PHE 31 HZ PHE 31 -13.605 -21.453 2.380 253 H ASP 32 H ASP 32 -12.019 -17.699 -0.712 254 HA ASP 32 HA ASP 32 -11.891 -15.092 -1.684 255 HB2 ASP 32 2HB ASP 32 -13.243 -15.894 0.281 256 HB3 ASP 32 3HB ASP 32 -11.759 -15.881 1.230 257 H ASN 33 H ASN 33 -10.539 -13.309 -1.049 258 HA ASN 33 HA ASN 33 -8.502 -12.295 -0.946 259 HB2 ASN 33 2HB ASN 33 -8.842 -13.026 1.443 260 HB3 ASN 33 3HB ASN 33 -7.844 -14.432 1.088 261 HD21 ASN 33 2HD2 ASN 33 -5.271 -12.438 2.379 262 HD22 ASN 33 1HD2 ASN 33 -6.395 -13.709 2.704 263 H LYS 34 H LYS 34 -8.892 -14.696 -2.732 264 HA LYS 34 HA LYS 34 -6.077 -14.994 -3.437 265 HB2 LYS 34 2HB LYS 34 -7.947 -17.310 -2.930 266 HB3 LYS 34 3HB LYS 34 -6.436 -17.462 -3.818 267 HG2 LYS 34 2HG LYS 34 -6.456 -16.300 -1.065 268 HG3 LYS 34 3HG LYS 34 -6.497 -18.049 -1.304 269 HD2 LYS 34 2HD LYS 34 -4.493 -17.002 -3.009 270 HD3 LYS 34 3HD LYS 34 -4.263 -16.278 -1.415 271 HE2 LYS 34 2HE LYS 34 -3.728 -18.257 -0.446 272 HE3 LYS 34 3HE LYS 34 -4.815 -19.182 -1.481 273 HZ1 LYS 34 3HZ LYS 34 -2.019 -18.563 -1.835 274 HZ2 LYS 34 1HZ LYS 34 -2.955 -18.334 -3.226 275 HZ3 LYS 34 2HZ LYS 34 -2.933 -19.842 -2.460 276 H LYS 35 H LYS 35 -8.233 -13.499 -4.595 277 HA LYS 35 HA LYS 35 -9.010 -14.971 -6.981 278 HB2 LYS 35 2HB LYS 35 -10.512 -13.236 -7.426 279 HB3 LYS 35 3HB LYS 35 -10.504 -13.329 -5.670 280 HG2 LYS 35 2HG LYS 35 -8.940 -11.443 -5.587 281 HG3 LYS 35 3HG LYS 35 -8.989 -11.339 -7.348 282 HD2 LYS 35 2HD LYS 35 -11.170 -10.563 -7.370 283 HD3 LYS 35 3HD LYS 35 -11.533 -11.235 -5.779 284 HE2 LYS 35 2HE LYS 35 -9.959 -9.556 -4.803 285 HE3 LYS 35 3HE LYS 35 -9.827 -8.829 -6.404 286 HZ1 LYS 35 3HZ LYS 35 -12.045 -8.766 -4.513 287 HZ2 LYS 35 1HZ LYS 35 -12.449 -8.861 -6.154 288 HZ3 LYS 35 2HZ LYS 35 -11.504 -7.577 -5.588 289 H CYS 36 H CYS 36 -8.553 -14.220 -9.116 290 HA CYS 36 HA CYS 36 -6.137 -12.543 -9.302 291 HB2 CYS 36 2HB CYS 36 -6.118 -15.194 -9.798 292 HB3 CYS 36 3HB CYS 36 -6.578 -14.600 -11.390 293 H THR 37 H THR 37 -6.085 -11.015 -10.880 294 HA THR 37 HA THR 37 -8.342 -10.913 -12.764 295 HB THR 37 HB THR 37 -7.359 -8.302 -11.794 296 HG1 THR 37 HG1 THR 37 -8.985 -9.981 -10.158 297 HG21 THR 37 3HG2 THR 37 -9.583 -9.346 -13.179 298 HG22 THR 37 1HG2 THR 37 -9.269 -7.666 -12.747 299 HG23 THR 37 2HG2 THR 37 -10.192 -8.699 -11.656 300 H LYS 38 H LYS 38 -7.791 -8.755 -14.217 301 HA LYS 38 HA LYS 38 -5.872 -9.511 -16.023 302 HB2 LYS 38 2HB LYS 38 -7.609 -7.339 -15.716 303 HB3 LYS 38 3HB LYS 38 -6.013 -6.620 -15.880 304 HG2 LYS 38 2HG LYS 38 -5.993 -8.489 -17.867 305 HG3 LYS 38 3HG LYS 38 -7.680 -7.970 -17.861 306 HD2 LYS 38 2HD LYS 38 -5.366 -6.043 -17.912 307 HD3 LYS 38 3HD LYS 38 -6.132 -6.669 -19.374 308 HE2 LYS 38 2HE LYS 38 -7.801 -5.417 -17.234 309 HE3 LYS 38 3HE LYS 38 -6.909 -4.395 -18.360 310 HZ1 LYS 38 3HZ LYS 38 -8.022 -5.562 -20.191 311 HZ2 LYS 38 1HZ LYS 38 -9.123 -4.774 -19.176 312 HZ3 LYS 38 2HZ LYS 38 -8.929 -6.451 -19.074 313 H ASP 39 H ASP 39 -3.787 -8.585 -16.573 314 HA ASP 39 HA ASP 39 -1.991 -8.602 -14.399 315 HB2 ASP 39 2HB ASP 39 -0.414 -7.607 -16.264 316 HB3 ASP 39 3HB ASP 39 -0.968 -9.277 -16.352 317 H ASN 40 H ASN 40 -2.906 -5.928 -16.577 318 HA ASN 40 HA ASN 40 -1.662 -3.985 -14.847 319 HB2 ASN 40 2HB ASN 40 -3.177 -3.836 -17.439 320 HB3 ASN 40 3HB ASN 40 -2.809 -2.374 -16.528 321 HD21 ASN 40 2HD2 ASN 40 0.527 -4.466 -17.553 322 HD22 ASN 40 1HD2 ASN 40 -0.763 -5.209 -16.676 323 H ASN 41 H ASN 41 -4.557 -5.604 -14.787 324 HA ASN 41 HA ASN 41 -6.506 -3.743 -14.208 325 HB2 ASN 41 2HB ASN 41 -7.089 -6.062 -14.396 326 HB3 ASN 41 3HB ASN 41 -6.054 -6.491 -13.037 327 HD21 ASN 41 2HD2 ASN 41 -8.479 -5.959 -10.646 328 HD22 ASN 41 1HD2 ASN 41 -6.903 -6.531 -11.065 329 H LYS 42 H LYS 42 -5.303 -5.635 -11.494 330 HA LYS 42 HA LYS 42 -4.365 -3.306 -10.069 331 HB2 LYS 42 2HB LYS 42 -6.938 -4.686 -9.355 332 HB3 LYS 42 3HB LYS 42 -5.975 -3.880 -8.124 333 HG2 LYS 42 2HG LYS 42 -6.093 -1.811 -9.572 334 HG3 LYS 42 3HG LYS 42 -7.313 -2.663 -10.522 335 HD2 LYS 42 2HD LYS 42 -7.605 -2.472 -7.552 336 HD3 LYS 42 3HD LYS 42 -8.041 -1.095 -8.567 337 HE2 LYS 42 2HE LYS 42 -10.046 -2.109 -8.663 338 HE3 LYS 42 3HE LYS 42 -9.271 -3.112 -9.889 339 HZ1 LYS 42 3HZ LYS 42 -8.718 -4.712 -8.138 340 HZ2 LYS 42 1HZ LYS 42 -10.389 -4.485 -8.278 341 HZ3 LYS 42 2HZ LYS 42 -9.541 -3.764 -7.005 342 H CYS 43 H CYS 43 -3.159 -5.734 -10.921 343 HA CYS 43 HA CYS 43 -2.969 -7.523 -8.681 344 HB2 CYS 43 2HB CYS 43 -2.638 -8.541 -10.785 345 HB3 CYS 43 3HB CYS 43 -1.510 -7.293 -11.304 346 H THR 44 H THR 44 -1.647 -7.387 -6.990 347 HA THR 44 HA THR 44 0.861 -5.927 -7.183 348 HB THR 44 HB THR 44 -0.060 -4.989 -4.759 349 HG1 THR 44 HG1 THR 44 -2.216 -5.710 -5.790 350 HG21 THR 44 3HG2 THR 44 0.477 -2.980 -5.643 351 HG22 THR 44 1HG2 THR 44 -0.544 -3.214 -7.061 352 HG23 THR 44 2HG2 THR 44 1.058 -3.949 -6.997 353 H VAL 45 H VAL 45 2.240 -6.248 -5.286 354 HA VAL 45 HA VAL 45 1.670 -8.832 -3.997 355 HB VAL 45 HB VAL 45 4.328 -7.488 -4.504 356 HG11 VAL 45 1HG1 VAL 45 5.129 -8.751 -2.860 357 HG12 VAL 45 2HG1 VAL 45 3.564 -9.535 -2.633 358 HG13 VAL 45 3HG1 VAL 45 4.708 -10.171 -3.816 359 HG21 VAL 45 3HG2 VAL 45 3.749 -10.142 -5.630 360 HG22 VAL 45 1HG2 VAL 45 2.805 -8.815 -6.307 361 HG23 VAL 45 2HG2 VAL 45 4.567 -8.756 -6.351 362 H ASP 46 H ASP 46 1.140 -8.761 -1.925 363 HA ASP 46 HA ASP 46 2.436 -6.799 -0.179 364 HB2 ASP 46 2HB ASP 46 -0.548 -7.296 -0.242 365 HB3 ASP 46 3HB ASP 46 0.296 -6.279 0.922 366 H THR 47 H THR 47 2.551 -7.408 2.016 367 HA THR 47 HA THR 47 1.812 -10.201 2.584 368 HB THR 47 HB THR 47 4.149 -9.490 4.078 369 HG1 THR 47 HG1 THR 47 5.211 -8.392 2.619 370 HG21 THR 47 3HG2 THR 47 3.432 -11.555 2.020 371 HG22 THR 47 1HG2 THR 47 3.685 -11.761 3.753 372 HG23 THR 47 2HG2 THR 47 5.060 -11.458 2.691 373 H TYR 48 H TYR 48 1.478 -7.023 3.434 374 HA TYR 48 HA TYR 48 1.470 -7.304 6.294 375 HB2 TYR 48 2HB TYR 48 0.978 -5.142 4.344 376 HB3 TYR 48 3HB TYR 48 0.076 -5.015 5.849 377 HD1 TYR 48 HD1 TYR 48 1.053 -3.710 7.470 378 HD2 TYR 48 HD2 TYR 48 3.568 -5.876 4.808 379 HE1 TYR 48 HE1 TYR 48 3.033 -2.764 8.581 380 HE2 TYR 48 HE2 TYR 48 5.555 -4.937 5.913 381 HH TYR 48 HH TYR 48 5.250 -2.594 8.561 382 H ASN 49 H ASN 49 -0.939 -7.292 3.721 383 HA ASN 49 HA ASN 49 -3.103 -7.624 5.645 384 HB2 ASN 49 2HB ASN 49 -4.517 -7.653 3.517 385 HB3 ASN 49 3HB ASN 49 -3.679 -6.149 3.887 386 HD21 ASN 49 2HD2 ASN 49 -2.889 -6.332 0.459 387 HD22 ASN 49 1HD2 ASN 49 -4.010 -5.706 1.614 388 H ASN 50 H ASN 50 -0.923 -9.665 4.892 389 HA ASN 50 HA ASN 50 -0.730 -11.906 4.505 390 HB2 ASN 50 2HB ASN 50 -2.310 -13.293 5.700 391 HB3 ASN 50 3HB ASN 50 -1.995 -11.846 6.653 392 HD21 ASN 50 2HD2 ASN 50 -5.673 -12.523 5.037 393 HD22 ASN 50 1HD2 ASN 50 -4.283 -13.392 4.490 394 H ALA 51 H ALA 51 -2.090 -10.226 2.425 395 HA ALA 51 HA ALA 51 -3.795 -12.235 1.136 396 HB1 ALA 51 1HB ALA 51 -3.390 -9.297 0.646 397 HB2 ALA 51 2HB ALA 51 -4.259 -10.337 -0.483 398 HB3 ALA 51 3HB ALA 51 -4.855 -10.132 1.163 399 H VAL 52 H VAL 52 -3.362 -13.038 -0.912 400 HA VAL 52 HA VAL 52 -0.570 -13.145 -1.620 401 HB VAL 52 HB VAL 52 -1.311 -14.687 -3.413 402 HG11 VAL 52 1HG1 VAL 52 -2.567 -15.426 -0.779 403 HG12 VAL 52 2HG1 VAL 52 -1.849 -16.501 -1.980 404 HG13 VAL 52 3HG1 VAL 52 -0.825 -15.408 -1.048 405 HG21 VAL 52 3HG2 VAL 52 -4.079 -14.435 -2.262 406 HG22 VAL 52 1HG2 VAL 52 -3.553 -13.534 -3.684 407 HG23 VAL 52 2HG2 VAL 52 -3.573 -15.297 -3.715 408 H ASP 53 H ASP 53 0.210 -12.752 -3.807 409 HA ASP 53 HA ASP 53 -0.801 -10.240 -4.825 410 HB2 ASP 53 2HB ASP 53 1.362 -11.576 -6.313 411 HB3 ASP 53 3HB ASP 53 1.270 -9.932 -5.686 412 H CYS 54 H CYS 54 -2.693 -10.572 -5.903 413 HA CYS 54 HA CYS 54 -2.520 -11.707 -8.529 414 HB2 CYS 54 2HB CYS 54 -3.829 -13.203 -6.326 415 HB3 CYS 54 3HB CYS 54 -4.702 -13.131 -7.853 416 H ASP 55 H ASP 55 -3.657 -10.407 -9.793 417 HA ASP 55 HA ASP 55 -6.305 -9.718 -9.560 418 HB2 ASP 55 2HB ASP 55 -4.614 -8.130 -7.805 419 HB3 ASP 55 3HB ASP 55 -5.493 -7.124 -8.953 Start of MODEL 6 1 H1 ALA 1 H ALA 1 -0.338 -0.900 -0.840 2 HA ALA 1 HA ALA 1 1.208 -0.541 -2.547 3 HB1 ALA 1 1HB ALA 1 2.530 1.658 -1.626 4 HB2 ALA 1 2HB ALA 1 0.906 1.667 -2.315 5 HB3 ALA 1 3HB ALA 1 1.121 1.612 -0.566 6 H LYS 2 H LYS 2 2.954 -1.637 -3.123 7 HA LYS 2 HA LYS 2 5.399 -1.401 -1.559 8 HB2 LYS 2 2HB LYS 2 3.817 -3.897 -1.858 9 HB3 LYS 2 3HB LYS 2 5.562 -4.038 -2.026 10 HG2 LYS 2 2HG LYS 2 4.700 -2.474 0.293 11 HG3 LYS 2 3HG LYS 2 4.201 -4.167 0.321 12 HD2 LYS 2 2HD LYS 2 6.341 -3.967 1.405 13 HD3 LYS 2 3HD LYS 2 6.557 -4.815 -0.128 14 HE2 LYS 2 2HE LYS 2 6.847 -1.880 -0.218 15 HE3 LYS 2 3HE LYS 2 8.091 -2.749 0.680 16 HZ1 LYS 2 3HZ LYS 2 7.333 -3.124 -2.162 17 HZ2 LYS 2 1HZ LYS 2 8.354 -4.182 -1.325 18 HZ3 LYS 2 2HZ LYS 2 8.811 -2.570 -1.555 19 H TYR 3 H TYR 3 4.360 -3.649 -4.110 20 HA TYR 3 HA TYR 3 6.204 -2.307 -5.964 21 HB2 TYR 3 2HB TYR 3 6.879 -4.648 -4.786 22 HB3 TYR 3 3HB TYR 3 6.018 -5.250 -6.198 23 HD1 TYR 3 HD1 TYR 3 8.903 -3.242 -5.076 24 HD2 TYR 3 HD2 TYR 3 6.970 -5.096 -8.381 25 HE1 TYR 3 HE1 TYR 3 10.917 -2.889 -6.443 26 HE2 TYR 3 HE2 TYR 3 8.979 -4.750 -9.758 27 HH TYR 3 HH TYR 3 11.417 -2.669 -8.959 28 H THR 4 H THR 4 5.794 -2.829 -8.239 29 HA THR 4 HA THR 4 2.923 -3.043 -8.724 30 HB THR 4 HB THR 4 5.161 -2.249 -10.596 31 HG1 THR 4 HG1 THR 4 4.108 -0.153 -10.321 32 HG21 THR 4 3HG2 THR 4 3.063 -1.309 -11.852 33 HG22 THR 4 1HG2 THR 4 2.214 -2.574 -10.966 34 HG23 THR 4 2HG2 THR 4 3.535 -2.995 -12.056 35 H GLY 5 H GLY 5 2.084 -4.954 -9.223 36 HA2 GLY 5 2HA GLY 5 3.731 -6.820 -10.817 37 HA3 GLY 5 3HA GLY 5 2.720 -7.367 -9.487 38 H LYS 6 H LYS 6 2.353 -8.568 -11.850 39 HA LYS 6 HA LYS 6 -0.327 -7.680 -12.574 40 HB2 LYS 6 2HB LYS 6 0.708 -8.433 -15.032 41 HB3 LYS 6 3HB LYS 6 0.355 -6.790 -14.512 42 HG2 LYS 6 2HG LYS 6 2.622 -6.463 -13.804 43 HG3 LYS 6 3HG LYS 6 3.007 -8.157 -14.117 44 HD2 LYS 6 2HD LYS 6 2.144 -7.538 -16.537 45 HD3 LYS 6 3HD LYS 6 2.599 -5.911 -16.027 46 HE2 LYS 6 2HE LYS 6 4.451 -8.271 -15.803 47 HE3 LYS 6 3HE LYS 6 4.375 -7.251 -17.239 48 HZ1 LYS 6 3HZ LYS 6 5.279 -5.477 -16.139 49 HZ2 LYS 6 1HZ LYS 6 6.077 -6.748 -15.358 50 HZ3 LYS 6 2HZ LYS 6 4.760 -5.992 -14.614 51 H CYS 7 H CYS 7 -1.694 -9.343 -12.799 52 HA CYS 7 HA CYS 7 -0.540 -12.043 -13.060 53 HB2 CYS 7 2HB CYS 7 -1.548 -12.563 -11.135 54 HB3 CYS 7 3HB CYS 7 -2.252 -10.952 -11.037 55 H THR 8 H THR 8 -1.509 -13.481 -14.445 56 HA THR 8 HA THR 8 -3.502 -12.323 -16.271 57 HB THR 8 HB THR 8 -1.496 -12.942 -17.440 58 HG1 THR 8 HG1 THR 8 -3.545 -13.501 -18.423 59 HG21 THR 8 3HG2 THR 8 -0.646 -14.547 -15.756 60 HG22 THR 8 1HG2 THR 8 -0.566 -15.179 -17.400 61 HG23 THR 8 2HG2 THR 8 -1.840 -15.721 -16.308 62 H LYS 9 H LYS 9 -5.513 -13.050 -16.142 63 HA LYS 9 HA LYS 9 -6.397 -15.024 -14.402 64 HB2 LYS 9 2HB LYS 9 -7.557 -13.256 -16.291 65 HB3 LYS 9 3HB LYS 9 -8.190 -14.861 -16.631 66 HG2 LYS 9 2HG LYS 9 -8.789 -15.039 -14.206 67 HG3 LYS 9 3HG LYS 9 -8.349 -13.338 -14.043 68 HD2 LYS 9 2HD LYS 9 -10.403 -14.368 -15.996 69 HD3 LYS 9 3HD LYS 9 -10.793 -13.755 -14.387 70 HE2 LYS 9 2HE LYS 9 -11.006 -11.779 -15.431 71 HE3 LYS 9 3HE LYS 9 -9.245 -11.746 -15.366 72 HZ1 LYS 9 3HZ LYS 9 -9.159 -12.673 -17.577 73 HZ2 LYS 9 1HZ LYS 9 -10.104 -11.269 -17.589 74 HZ3 LYS 9 2HZ LYS 9 -10.845 -12.788 -17.640 75 H SER 10 H SER 10 -5.020 -15.320 -17.543 76 HA SER 10 HA SER 10 -6.104 -17.765 -18.374 77 HB2 SER 10 2HB SER 10 -4.402 -16.007 -19.500 78 HB3 SER 10 3HB SER 10 -3.249 -17.246 -19.004 79 HG SER 10 HG SER 10 -3.861 -18.199 -20.774 80 H LYS 11 H LYS 11 -3.242 -17.054 -16.408 81 HA LYS 11 HA LYS 11 -3.008 -19.922 -15.796 82 HB2 LYS 11 2HB LYS 11 -1.067 -17.751 -16.152 83 HB3 LYS 11 3HB LYS 11 -0.770 -18.738 -14.727 84 HG2 LYS 11 2HG LYS 11 -1.279 -20.060 -17.351 85 HG3 LYS 11 3HG LYS 11 0.308 -19.368 -17.007 86 HD2 LYS 11 2HD LYS 11 0.224 -20.706 -14.832 87 HD3 LYS 11 3HD LYS 11 -1.128 -21.577 -15.560 88 HE2 LYS 11 2HE LYS 11 0.631 -21.733 -17.574 89 HE3 LYS 11 3HE LYS 11 1.757 -21.634 -16.221 90 HZ1 LYS 11 3HZ LYS 11 -0.485 -23.567 -16.279 91 HZ2 LYS 11 1HZ LYS 11 0.873 -23.573 -15.270 92 HZ3 LYS 11 2HZ LYS 11 1.040 -23.931 -16.914 93 H ASN 12 H ASN 12 -4.339 -17.180 -14.572 94 HA ASN 12 HA ASN 12 -5.002 -16.471 -12.511 95 HB2 ASN 12 2HB ASN 12 -5.582 -19.184 -12.742 96 HB3 ASN 12 3HB ASN 12 -4.829 -19.041 -11.157 97 HD21 ASN 12 2HD2 ASN 12 -7.907 -18.190 -9.848 98 HD22 ASN 12 1HD2 ASN 12 -6.527 -19.229 -9.837 99 H GLU 13 H GLU 13 -2.234 -16.252 -12.972 100 HA GLU 13 HA GLU 13 -1.261 -16.421 -10.211 101 HB2 GLU 13 2HB GLU 13 0.627 -17.590 -10.699 102 HB3 GLU 13 3HB GLU 13 -0.390 -18.233 -11.981 103 HG2 GLU 13 2HG GLU 13 1.433 -15.871 -12.341 104 HG3 GLU 13 3HG GLU 13 1.912 -17.535 -12.673 105 H CYS 14 H CYS 14 0.602 -14.993 -9.806 106 HA CYS 14 HA CYS 14 0.630 -12.674 -11.624 107 HB2 CYS 14 2HB CYS 14 -0.621 -12.427 -9.370 108 HB3 CYS 14 3HB CYS 14 0.986 -12.411 -8.650 109 H LYS 15 H LYS 15 2.581 -11.346 -11.489 110 HA LYS 15 HA LYS 15 4.937 -12.788 -10.491 111 HB2 LYS 15 2HB LYS 15 4.832 -11.441 -13.192 112 HB3 LYS 15 3HB LYS 15 6.156 -12.388 -12.526 113 HG2 LYS 15 2HG LYS 15 5.282 -14.026 -13.779 114 HG3 LYS 15 3HG LYS 15 4.161 -14.203 -12.427 115 HD2 LYS 15 2HD LYS 15 2.555 -13.929 -13.965 116 HD3 LYS 15 3HD LYS 15 2.986 -12.218 -13.901 117 HE2 LYS 15 2HE LYS 15 4.121 -12.290 -15.884 118 HE3 LYS 15 3HE LYS 15 4.557 -13.988 -15.698 119 HZ1 LYS 15 3HZ LYS 15 2.247 -12.812 -16.955 120 HZ2 LYS 15 1HZ LYS 15 1.873 -14.093 -15.916 121 HZ3 LYS 15 2HZ LYS 15 2.954 -14.330 -17.195 122 H TYR 16 H TYR 16 6.566 -11.521 -9.693 123 HA TYR 16 HA TYR 16 6.442 -8.632 -10.048 124 HB2 TYR 16 2HB TYR 16 6.337 -8.109 -7.726 125 HB3 TYR 16 3HB TYR 16 5.027 -9.241 -8.042 126 HD1 TYR 16 HD1 TYR 16 5.080 -11.492 -7.138 127 HD2 TYR 16 HD2 TYR 16 8.268 -8.772 -6.401 128 HE1 TYR 16 HE1 TYR 16 5.914 -12.963 -5.352 129 HE2 TYR 16 HE2 TYR 16 9.112 -10.236 -4.614 130 HH TYR 16 HH TYR 16 7.300 -12.993 -3.488 131 H LYS 17 H LYS 17 8.369 -7.536 -9.304 132 HA LYS 17 HA LYS 17 10.724 -9.197 -9.652 133 HB2 LYS 17 2HB LYS 17 10.221 -6.834 -10.685 134 HB3 LYS 17 3HB LYS 17 10.841 -6.248 -9.147 135 HG2 LYS 17 2HG LYS 17 12.413 -8.217 -10.754 136 HG3 LYS 17 3HG LYS 17 12.448 -6.498 -11.152 137 HD2 LYS 17 2HD LYS 17 12.784 -6.824 -8.329 138 HD3 LYS 17 3HD LYS 17 13.935 -7.859 -9.177 139 HE2 LYS 17 2HE LYS 17 13.599 -5.064 -10.131 140 HE3 LYS 17 3HE LYS 17 14.467 -5.322 -8.618 141 HZ1 LYS 17 3HZ LYS 17 15.718 -5.333 -10.892 142 HZ2 LYS 17 1HZ LYS 17 15.197 -6.942 -10.951 143 HZ3 LYS 17 2HZ LYS 17 16.160 -6.412 -9.666 144 H ASN 18 H ASN 18 12.087 -9.804 -8.087 145 HA ASN 18 HA ASN 18 11.667 -8.681 -5.396 146 HB2 ASN 18 2HB ASN 18 12.807 -10.950 -4.733 147 HB3 ASN 18 3HB ASN 18 11.093 -10.910 -5.138 148 HD21 ASN 18 2HD2 ASN 18 13.640 -13.156 -7.241 149 HD22 ASN 18 1HD2 ASN 18 14.073 -12.299 -5.805 150 H SER 19 H SER 19 13.773 -9.319 -4.009 151 HA SER 19 HA SER 19 15.820 -7.624 -4.957 152 HB2 SER 19 2HB SER 19 15.138 -8.596 -2.509 153 HB3 SER 19 3HB SER 19 16.564 -9.572 -2.865 154 HG SER 19 HG SER 19 16.367 -6.907 -2.265 155 H ALA 20 H ALA 20 15.422 -11.118 -4.953 156 HA ALA 20 HA ALA 20 18.036 -11.837 -5.679 157 HB1 ALA 20 1HB ALA 20 17.243 -13.952 -5.839 158 HB2 ALA 20 2HB ALA 20 15.865 -13.240 -4.999 159 HB3 ALA 20 3HB ALA 20 15.811 -13.465 -6.747 160 H GLY 21 H GLY 21 15.361 -10.600 -7.545 161 HA2 GLY 21 2HA GLY 21 15.596 -9.542 -9.637 162 HA3 GLY 21 3HA GLY 21 17.132 -10.367 -9.857 163 H LYS 22 H LYS 22 15.582 -12.885 -8.928 164 HA LYS 22 HA LYS 22 14.941 -13.758 -11.600 165 HB2 LYS 22 2HB LYS 22 14.931 -15.137 -8.917 166 HB3 LYS 22 3HB LYS 22 14.410 -15.936 -10.395 167 HG2 LYS 22 2HG LYS 22 16.511 -16.178 -11.166 168 HG3 LYS 22 3HG LYS 22 17.046 -14.628 -10.511 169 HD2 LYS 22 2HD LYS 22 17.998 -15.679 -8.800 170 HD3 LYS 22 3HD LYS 22 16.431 -16.341 -8.329 171 HE2 LYS 22 2HE LYS 22 16.754 -18.273 -9.680 172 HE3 LYS 22 3HE LYS 22 18.171 -17.571 -10.457 173 HZ1 LYS 22 3HZ LYS 22 18.347 -17.774 -7.580 174 HZ2 LYS 22 1HZ LYS 22 19.489 -18.163 -8.765 175 HZ3 LYS 22 2HZ LYS 22 18.262 -19.261 -8.380 176 H ASP 23 H ASP 23 12.993 -13.807 -12.508 177 HA ASP 23 HA ASP 23 10.735 -12.648 -11.340 178 HB2 ASP 23 2HB ASP 23 10.722 -14.631 -13.621 179 HB3 ASP 23 3HB ASP 23 9.519 -13.390 -13.283 180 H THR 24 H THR 24 9.099 -13.401 -10.131 181 HA THR 24 HA THR 24 9.027 -16.297 -9.580 182 HB THR 24 HB THR 24 9.800 -15.230 -7.588 183 HG1 THR 24 HG1 THR 24 8.297 -16.760 -7.052 184 HG21 THR 24 3HG2 THR 24 9.078 -12.936 -8.173 185 HG22 THR 24 1HG2 THR 24 8.659 -13.378 -6.518 186 HG23 THR 24 2HG2 THR 24 7.420 -13.380 -7.773 187 H PHE 25 H PHE 25 7.200 -17.280 -10.122 188 HA PHE 25 HA PHE 25 4.736 -15.673 -10.294 189 HB2 PHE 25 2HB PHE 25 4.034 -17.143 -12.167 190 HB3 PHE 25 3HB PHE 25 5.482 -16.213 -12.539 191 HD1 PHE 25 HD1 PHE 25 4.049 -19.496 -12.186 192 HD2 PHE 25 HD2 PHE 25 7.707 -17.339 -12.473 193 HE1 PHE 25 HE1 PHE 25 5.225 -21.575 -12.774 194 HE2 PHE 25 HE2 PHE 25 8.889 -19.415 -13.062 195 HZ PHE 25 HZ PHE 25 7.648 -21.537 -13.214 196 H ILE 26 H ILE 26 3.205 -16.319 -8.944 197 HA ILE 26 HA ILE 26 3.148 -19.150 -8.127 198 HB ILE 26 HB ILE 26 3.922 -17.829 -6.253 199 HG12 ILE 26 2HG1 ILE 26 1.236 -18.143 -5.210 200 HG13 ILE 26 3HG1 ILE 26 1.676 -19.500 -6.241 201 HG21 ILE 26 1HG2 ILE 26 2.741 -15.975 -5.344 202 HG22 ILE 26 2HG2 ILE 26 2.910 -15.686 -7.074 203 HG23 ILE 26 3HG2 ILE 26 1.370 -16.242 -6.420 204 HD11 ILE 26 3HD1 ILE 26 2.178 -19.660 -3.742 205 HD12 ILE 26 1HD1 ILE 26 3.452 -20.114 -4.873 206 HD13 ILE 26 2HD1 ILE 26 3.501 -18.542 -4.073 207 H LYS 27 H LYS 27 1.312 -20.173 -8.558 208 HA LYS 27 HA LYS 27 -0.919 -18.769 -9.687 209 HB2 LYS 27 2HB LYS 27 -1.906 -20.962 -9.993 210 HB3 LYS 27 3HB LYS 27 -0.216 -21.003 -10.480 211 HG2 LYS 27 2HG LYS 27 -0.189 -22.886 -9.259 212 HG3 LYS 27 3HG LYS 27 0.018 -21.766 -7.910 213 HD2 LYS 27 2HD LYS 27 -2.661 -21.774 -8.078 214 HD3 LYS 27 3HD LYS 27 -2.325 -23.395 -8.692 215 HE2 LYS 27 2HE LYS 27 -0.680 -23.046 -6.441 216 HE3 LYS 27 3HE LYS 27 -2.266 -22.422 -5.992 217 HZ1 LYS 27 3HZ LYS 27 -3.270 -24.482 -6.497 218 HZ2 LYS 27 1HZ LYS 27 -1.899 -24.849 -5.575 219 HZ3 LYS 27 2HZ LYS 27 -1.877 -25.076 -7.251 220 H CYS 28 H CYS 28 -3.004 -18.579 -8.865 221 HA CYS 28 HA CYS 28 -3.249 -19.036 -5.963 222 HB2 CYS 28 2HB CYS 28 -4.670 -16.878 -7.526 223 HB3 CYS 28 3HB CYS 28 -4.572 -17.051 -5.777 224 HA PRO 29 HA PRO 29 -6.704 -21.615 -6.856 225 HB2 PRO 29 2HB PRO 29 -7.957 -21.489 -4.451 226 HB3 PRO 29 3HB PRO 29 -6.471 -22.409 -4.712 227 HG2 PRO 29 2HG PRO 29 -6.828 -19.684 -3.525 228 HG3 PRO 29 3HG PRO 29 -5.785 -21.012 -2.984 229 HD2 PRO 29 2HD PRO 29 -4.845 -18.907 -4.404 230 HD3 PRO 29 3HD PRO 29 -4.158 -20.538 -4.547 231 H LYS 30 H LYS 30 -9.231 -21.439 -5.874 232 HA LYS 30 HA LYS 30 -10.196 -18.917 -7.045 233 HB2 LYS 30 2HB LYS 30 -11.308 -21.702 -6.989 234 HB3 LYS 30 3HB LYS 30 -12.390 -20.330 -7.196 235 HG2 LYS 30 2HG LYS 30 -10.185 -20.044 -8.981 236 HG3 LYS 30 3HG LYS 30 -10.865 -21.664 -9.153 237 HD2 LYS 30 2HD LYS 30 -12.968 -20.846 -9.751 238 HD3 LYS 30 3HD LYS 30 -12.637 -19.245 -9.087 239 HE2 LYS 30 2HE LYS 30 -11.256 -20.427 -11.493 240 HE3 LYS 30 3HE LYS 30 -12.625 -19.319 -11.569 241 HZ1 LYS 30 3HZ LYS 30 -11.257 -17.692 -10.341 242 HZ2 LYS 30 1HZ LYS 30 -10.610 -18.090 -11.853 243 HZ3 LYS 30 2HZ LYS 30 -9.938 -18.745 -10.446 244 H PHE 31 H PHE 31 -9.482 -19.874 -4.146 245 HA PHE 31 HA PHE 31 -11.996 -19.426 -2.778 246 HB2 PHE 31 2HB PHE 31 -9.830 -20.904 -2.122 247 HB3 PHE 31 3HB PHE 31 -9.469 -19.426 -1.236 248 HD1 PHE 31 HD1 PHE 31 -12.419 -21.628 -1.866 249 HD2 PHE 31 HD2 PHE 31 -10.159 -19.365 0.943 250 HE1 PHE 31 HE1 PHE 31 -13.945 -22.339 -0.071 251 HE2 PHE 31 HE2 PHE 31 -11.680 -20.072 2.742 252 HZ PHE 31 HZ PHE 31 -13.576 -21.562 2.237 253 H ASP 32 H ASP 32 -11.910 -17.853 -0.855 254 HA ASP 32 HA ASP 32 -11.736 -15.246 -1.818 255 HB2 ASP 32 2HB ASP 32 -12.068 -16.486 0.865 256 HB3 ASP 32 3HB ASP 32 -11.609 -14.785 0.816 257 H ASN 33 H ASN 33 -10.326 -13.501 -1.200 258 HA ASN 33 HA ASN 33 -8.265 -12.536 -1.126 259 HB2 ASN 33 2HB ASN 33 -8.585 -13.367 1.262 260 HB3 ASN 33 3HB ASN 33 -7.536 -14.714 0.831 261 HD21 ASN 33 2HD2 ASN 33 -5.360 -12.255 2.375 262 HD22 ASN 33 1HD2 ASN 33 -6.637 -13.329 2.825 263 H LYS 34 H LYS 34 -8.765 -14.924 -2.921 264 HA LYS 34 HA LYS 34 -5.979 -15.259 -3.724 265 HB2 LYS 34 2HB LYS 34 -7.873 -17.554 -3.200 266 HB3 LYS 34 3HB LYS 34 -6.374 -17.713 -4.107 267 HG2 LYS 34 2HG LYS 34 -6.309 -16.555 -1.360 268 HG3 LYS 34 3HG LYS 34 -6.453 -18.301 -1.572 269 HD2 LYS 34 2HD LYS 34 -4.352 -18.506 -2.449 270 HD3 LYS 34 3HD LYS 34 -4.362 -16.879 -3.133 271 HE2 LYS 34 2HE LYS 34 -3.868 -15.891 -1.057 272 HE3 LYS 34 3HE LYS 34 -4.275 -17.359 -0.169 273 HZ1 LYS 34 3HZ LYS 34 -2.110 -17.548 -2.113 274 HZ2 LYS 34 1HZ LYS 34 -2.274 -18.286 -0.599 275 HZ3 LYS 34 2HZ LYS 34 -1.792 -16.668 -0.704 276 H LYS 35 H LYS 35 -8.153 -13.718 -4.793 277 HA LYS 35 HA LYS 35 -9.018 -15.152 -7.174 278 HB2 LYS 35 2HB LYS 35 -10.572 -13.473 -7.494 279 HB3 LYS 35 3HB LYS 35 -10.404 -13.454 -5.743 280 HG2 LYS 35 2HG LYS 35 -8.963 -11.601 -7.628 281 HG3 LYS 35 3HG LYS 35 -10.434 -11.203 -6.738 282 HD2 LYS 35 2HD LYS 35 -8.994 -11.969 -4.672 283 HD3 LYS 35 3HD LYS 35 -7.648 -11.576 -5.745 284 HE2 LYS 35 2HE LYS 35 -7.912 -9.510 -4.882 285 HE3 LYS 35 3HE LYS 35 -9.189 -9.393 -6.091 286 HZ1 LYS 35 3HZ LYS 35 -10.439 -10.551 -3.989 287 HZ2 LYS 35 1HZ LYS 35 -10.494 -8.904 -4.369 288 HZ3 LYS 35 2HZ LYS 35 -9.384 -9.471 -3.226 289 H CYS 36 H CYS 36 -8.618 -14.377 -9.310 290 HA CYS 36 HA CYS 36 -6.188 -12.726 -9.543 291 HB2 CYS 36 2HB CYS 36 -6.269 -15.372 -10.123 292 HB3 CYS 36 3HB CYS 36 -6.726 -14.696 -11.683 293 H THR 37 H THR 37 -6.177 -11.143 -11.061 294 HA THR 37 HA THR 37 -8.466 -10.970 -12.897 295 HB THR 37 HB THR 37 -7.529 -8.380 -11.858 296 HG1 THR 37 HG1 THR 37 -8.759 -8.655 -9.902 297 HG21 THR 37 3HG2 THR 37 -10.190 -8.362 -11.580 298 HG22 THR 37 1HG2 THR 37 -10.043 -9.679 -12.743 299 HG23 THR 37 2HG2 THR 37 -9.394 -8.085 -13.129 300 H LYS 38 H LYS 38 -7.955 -8.736 -14.249 301 HA LYS 38 HA LYS 38 -6.033 -9.388 -16.100 302 HB2 LYS 38 2HB LYS 38 -7.815 -7.265 -15.697 303 HB3 LYS 38 3HB LYS 38 -6.235 -6.510 -15.851 304 HG2 LYS 38 2HG LYS 38 -5.909 -7.374 -18.007 305 HG3 LYS 38 3HG LYS 38 -7.225 -8.537 -17.828 306 HD2 LYS 38 2HD LYS 38 -8.176 -5.845 -17.427 307 HD3 LYS 38 3HD LYS 38 -7.354 -5.993 -18.982 308 HE2 LYS 38 2HE LYS 38 -9.677 -6.491 -19.300 309 HE3 LYS 38 3HE LYS 38 -8.758 -7.987 -19.466 310 HZ1 LYS 38 3HZ LYS 38 -9.795 -7.349 -16.814 311 HZ2 LYS 38 1HZ LYS 38 -9.641 -8.848 -17.584 312 HZ3 LYS 38 2HZ LYS 38 -10.923 -7.820 -17.983 313 H ASP 39 H ASP 39 -3.924 -8.667 -16.548 314 HA ASP 39 HA ASP 39 -2.125 -8.674 -14.446 315 HB2 ASP 39 2HB ASP 39 -0.589 -7.496 -16.223 316 HB3 ASP 39 3HB ASP 39 -1.133 -9.151 -16.479 317 H ASN 40 H ASN 40 -3.178 -5.846 -16.347 318 HA ASN 40 HA ASN 40 -1.953 -4.036 -14.453 319 HB2 ASN 40 2HB ASN 40 -3.774 -3.258 -16.725 320 HB3 ASN 40 3HB ASN 40 -2.506 -2.300 -15.967 321 HD21 ASN 40 2HD2 ASN 40 -0.019 -4.624 -17.523 322 HD22 ASN 40 1HD2 ASN 40 -0.543 -4.357 -15.899 323 H ASN 41 H ASN 41 -4.766 -5.747 -14.483 324 HA ASN 41 HA ASN 41 -6.807 -4.028 -13.815 325 HB2 ASN 41 2HB ASN 41 -7.107 -6.451 -14.095 326 HB3 ASN 41 3HB ASN 41 -6.240 -6.736 -12.589 327 HD21 ASN 41 2HD2 ASN 41 -8.978 -6.207 -10.547 328 HD22 ASN 41 1HD2 ASN 41 -7.304 -6.608 -10.701 329 H LYS 42 H LYS 42 -5.473 -5.938 -11.176 330 HA LYS 42 HA LYS 42 -4.694 -3.590 -9.674 331 HB2 LYS 42 2HB LYS 42 -7.084 -5.265 -8.926 332 HB3 LYS 42 3HB LYS 42 -6.198 -4.321 -7.735 333 HG2 LYS 42 2HG LYS 42 -6.610 -2.337 -9.324 334 HG3 LYS 42 3HG LYS 42 -7.845 -3.373 -10.044 335 HD2 LYS 42 2HD LYS 42 -9.005 -2.129 -8.438 336 HD3 LYS 42 3HD LYS 42 -8.708 -3.680 -7.648 337 HE2 LYS 42 2HE LYS 42 -6.544 -1.786 -7.232 338 HE3 LYS 42 3HE LYS 42 -8.091 -1.177 -6.645 339 HZ1 LYS 42 3HZ LYS 42 -6.501 -2.752 -5.217 340 HZ2 LYS 42 1HZ LYS 42 -7.466 -3.929 -5.958 341 HZ3 LYS 42 2HZ LYS 42 -8.181 -2.714 -5.023 342 H CYS 43 H CYS 43 -3.314 -5.889 -10.659 343 HA CYS 43 HA CYS 43 -2.892 -7.693 -8.452 344 HB2 CYS 43 2HB CYS 43 -2.662 -8.603 -10.659 345 HB3 CYS 43 3HB CYS 43 -1.507 -7.354 -11.114 346 H THR 44 H THR 44 -1.503 -7.446 -6.833 347 HA THR 44 HA THR 44 0.915 -5.871 -7.171 348 HB THR 44 HB THR 44 -0.236 -5.042 -4.679 349 HG1 THR 44 HG1 THR 44 -2.272 -5.089 -5.435 350 HG21 THR 44 3HG2 THR 44 1.038 -3.896 -7.055 351 HG22 THR 44 1HG2 THR 44 1.238 -3.483 -5.353 352 HG23 THR 44 2HG2 THR 44 -0.115 -2.818 -6.269 353 H VAL 45 H VAL 45 2.325 -6.000 -5.222 354 HA VAL 45 HA VAL 45 2.015 -8.635 -3.952 355 HB VAL 45 HB VAL 45 4.046 -8.393 -5.286 356 HG11 VAL 45 1HG1 VAL 45 4.998 -6.284 -3.374 357 HG12 VAL 45 2HG1 VAL 45 5.680 -6.754 -4.932 358 HG13 VAL 45 3HG1 VAL 45 4.155 -5.870 -4.866 359 HG21 VAL 45 3HG2 VAL 45 3.951 -9.066 -2.499 360 HG22 VAL 45 1HG2 VAL 45 4.891 -9.806 -3.794 361 HG23 VAL 45 2HG2 VAL 45 5.543 -8.427 -2.909 362 H ASP 46 H ASP 46 1.335 -8.610 -1.923 363 HA ASP 46 HA ASP 46 2.401 -6.597 -0.084 364 HB2 ASP 46 2HB ASP 46 -0.541 -7.281 -0.269 365 HB3 ASP 46 3HB ASP 46 0.200 -6.174 0.884 366 H THR 47 H THR 47 2.347 -7.219 2.132 367 HA THR 47 HA THR 47 1.641 -10.007 2.685 368 HB THR 47 HB THR 47 4.019 -10.064 2.118 369 HG1 THR 47 HG1 THR 47 4.736 -10.826 4.289 370 HG21 THR 47 3HG2 THR 47 5.343 -8.828 4.188 371 HG22 THR 47 1HG2 THR 47 4.069 -7.674 3.795 372 HG23 THR 47 2HG2 THR 47 5.196 -8.203 2.545 373 H TYR 48 H TYR 48 1.116 -6.964 3.463 374 HA TYR 48 HA TYR 48 1.479 -7.015 6.315 375 HB2 TYR 48 2HB TYR 48 0.879 -5.053 4.344 376 HB3 TYR 48 3HB TYR 48 -0.416 -5.025 5.536 377 HD1 TYR 48 HD1 TYR 48 0.813 -5.489 8.058 378 HD2 TYR 48 HD2 TYR 48 2.359 -3.330 4.734 379 HE1 TYR 48 HE1 TYR 48 2.234 -4.179 9.578 380 HE2 TYR 48 HE2 TYR 48 3.786 -2.015 6.244 381 HH TYR 48 HH TYR 48 4.739 -2.115 8.429 382 H ASN 49 H ASN 49 -1.248 -7.362 4.082 383 HA ASN 49 HA ASN 49 -3.013 -8.015 6.323 384 HB2 ASN 49 2HB ASN 49 -3.893 -7.904 3.454 385 HB3 ASN 49 3HB ASN 49 -4.825 -7.580 4.913 386 HD21 ASN 49 2HD2 ASN 49 -3.538 -4.518 2.936 387 HD22 ASN 49 1HD2 ASN 49 -3.976 -6.079 2.339 388 H ASN 50 H ASN 50 -0.832 -9.687 4.775 389 HA ASN 50 HA ASN 50 -0.478 -11.910 4.432 390 HB2 ASN 50 2HB ASN 50 -1.447 -12.893 6.212 391 HB3 ASN 50 3HB ASN 50 -2.858 -11.843 6.130 392 HD21 ASN 50 2HD2 ASN 50 -4.814 -14.065 4.251 393 HD22 ASN 50 1HD2 ASN 50 -4.572 -12.417 4.712 394 H ALA 51 H ALA 51 -2.507 -10.056 2.765 395 HA ALA 51 HA ALA 51 -3.936 -11.933 1.166 396 HB1 ALA 51 1HB ALA 51 -4.968 -10.099 0.468 397 HB2 ALA 51 2HB ALA 51 -3.866 -9.139 1.455 398 HB3 ALA 51 3HB ALA 51 -3.473 -9.477 -0.230 399 H VAL 52 H VAL 52 -3.457 -12.785 -0.823 400 HA VAL 52 HA VAL 52 -0.648 -12.927 -1.502 401 HB VAL 52 HB VAL 52 -2.188 -14.920 -1.550 402 HG11 VAL 52 1HG1 VAL 52 -3.745 -13.244 -3.148 403 HG12 VAL 52 2HG1 VAL 52 -3.119 -14.479 -4.242 404 HG13 VAL 52 3HG1 VAL 52 -4.024 -14.950 -2.804 405 HG21 VAL 52 3HG2 VAL 52 -1.027 -15.954 -3.300 406 HG22 VAL 52 1HG2 VAL 52 -0.928 -14.463 -4.236 407 HG23 VAL 52 2HG2 VAL 52 0.046 -14.656 -2.778 408 H ASP 53 H ASP 53 0.145 -12.582 -3.678 409 HA ASP 53 HA ASP 53 -0.934 -10.146 -4.813 410 HB2 ASP 53 2HB ASP 53 1.081 -10.158 -6.214 411 HB3 ASP 53 3HB ASP 53 1.490 -10.376 -4.514 412 H CYS 54 H CYS 54 -2.807 -10.632 -5.884 413 HA CYS 54 HA CYS 54 -2.533 -11.841 -8.471 414 HB2 CYS 54 2HB CYS 54 -3.803 -13.322 -6.235 415 HB3 CYS 54 3HB CYS 54 -4.651 -13.349 -7.778 416 H ASP 55 H ASP 55 -3.689 -10.607 -9.782 417 HA ASP 55 HA ASP 55 -6.390 -10.042 -9.567 418 HB2 ASP 55 2HB ASP 55 -4.710 -8.255 -7.984 419 HB3 ASP 55 3HB ASP 55 -5.700 -7.390 -9.156 Start of MODEL 7 1 H1 ALA 1 H ALA 1 -0.019 -0.833 -1.708 2 HA ALA 1 HA ALA 1 1.710 0.518 -2.690 3 HB1 ALA 1 1HB ALA 1 2.171 2.160 -0.953 4 HB2 ALA 1 2HB ALA 1 0.490 1.629 -0.881 5 HB3 ALA 1 3HB ALA 1 1.660 1.012 0.285 6 H LYS 2 H LYS 2 2.886 -2.041 -2.325 7 HA LYS 2 HA LYS 2 5.513 -1.362 -1.183 8 HB2 LYS 2 2HB LYS 2 4.254 -4.061 -1.707 9 HB3 LYS 2 3HB LYS 2 5.895 -3.823 -1.120 10 HG2 LYS 2 2HG LYS 2 4.214 -2.352 0.589 11 HG3 LYS 2 3HG LYS 2 3.447 -3.923 0.347 12 HD2 LYS 2 2HD LYS 2 6.368 -3.691 1.001 13 HD3 LYS 2 3HD LYS 2 5.138 -3.682 2.268 14 HE2 LYS 2 2HE LYS 2 5.788 -5.924 2.094 15 HE3 LYS 2 3HE LYS 2 4.273 -5.833 1.197 16 HZ1 LYS 2 3HZ LYS 2 5.410 -5.902 -0.840 17 HZ2 LYS 2 1HZ LYS 2 6.146 -7.093 0.111 18 HZ3 LYS 2 2HZ LYS 2 6.913 -5.604 -0.124 19 H TYR 3 H TYR 3 4.486 -3.739 -3.619 20 HA TYR 3 HA TYR 3 6.334 -2.480 -5.530 21 HB2 TYR 3 2HB TYR 3 7.030 -4.744 -4.291 22 HB3 TYR 3 3HB TYR 3 6.059 -5.442 -5.582 23 HD1 TYR 3 HD1 TYR 3 6.849 -5.488 -7.836 24 HD2 TYR 3 HD2 TYR 3 9.057 -3.427 -4.838 25 HE1 TYR 3 HE1 TYR 3 8.759 -5.307 -9.375 26 HE2 TYR 3 HE2 TYR 3 10.972 -3.239 -6.370 27 HH TYR 3 HH TYR 3 11.679 -3.520 -8.477 28 H THR 4 H THR 4 5.910 -3.067 -7.787 29 HA THR 4 HA THR 4 3.028 -3.304 -8.249 30 HB THR 4 HB THR 4 4.224 -2.784 -10.705 31 HG1 THR 4 HG1 THR 4 5.563 -0.923 -10.108 32 HG21 THR 4 3HG2 THR 4 3.244 -0.668 -8.799 33 HG22 THR 4 1HG2 THR 4 2.159 -1.799 -9.607 34 HG23 THR 4 2HG2 THR 4 3.138 -0.683 -10.559 35 H GLY 5 H GLY 5 2.243 -5.230 -8.776 36 HA2 GLY 5 2HA GLY 5 3.953 -7.039 -10.371 37 HA3 GLY 5 3HA GLY 5 2.912 -7.618 -9.078 38 H LYS 6 H LYS 6 2.708 -8.718 -11.567 39 HA LYS 6 HA LYS 6 0.016 -7.869 -12.336 40 HB2 LYS 6 2HB LYS 6 1.184 -8.624 -14.750 41 HB3 LYS 6 3HB LYS 6 0.740 -6.994 -14.262 42 HG2 LYS 6 2HG LYS 6 3.396 -8.138 -13.499 43 HG3 LYS 6 3HG LYS 6 3.133 -7.448 -15.103 44 HD2 LYS 6 2HD LYS 6 2.055 -5.630 -13.229 45 HD3 LYS 6 3HD LYS 6 3.645 -6.109 -12.630 46 HE2 LYS 6 2HE LYS 6 3.439 -5.473 -15.512 47 HE3 LYS 6 3HE LYS 6 3.276 -4.123 -14.390 48 HZ1 LYS 6 3HZ LYS 6 5.431 -4.216 -13.846 49 HZ2 LYS 6 1HZ LYS 6 5.615 -5.086 -15.286 50 HZ3 LYS 6 2HZ LYS 6 5.474 -5.907 -13.814 51 H CYS 7 H CYS 7 -1.341 -9.531 -12.662 52 HA CYS 7 HA CYS 7 -0.171 -12.229 -12.868 53 HB2 CYS 7 2HB CYS 7 -1.281 -12.775 -11.008 54 HB3 CYS 7 3HB CYS 7 -1.959 -11.153 -10.915 55 H THR 8 H THR 8 -1.173 -13.717 -14.222 56 HA THR 8 HA THR 8 -2.894 -12.515 -16.269 57 HB THR 8 HB THR 8 -0.879 -13.543 -17.140 58 HG1 THR 8 HG1 THR 8 -3.028 -13.839 -18.208 59 HG21 THR 8 3HG2 THR 8 0.006 -15.379 -16.243 60 HG22 THR 8 1HG2 THR 8 -1.420 -16.313 -16.693 61 HG23 THR 8 2HG2 THR 8 -1.363 -15.483 -15.137 62 H LYS 9 H LYS 9 -4.982 -12.995 -16.365 63 HA LYS 9 HA LYS 9 -6.208 -14.770 -14.525 64 HB2 LYS 9 2HB LYS 9 -7.046 -12.826 -16.485 65 HB3 LYS 9 3HB LYS 9 -8.032 -14.276 -16.608 66 HG2 LYS 9 2HG LYS 9 -7.582 -13.278 -13.877 67 HG3 LYS 9 3HG LYS 9 -8.545 -12.237 -14.929 68 HD2 LYS 9 2HD LYS 9 -9.688 -14.603 -15.474 69 HD3 LYS 9 3HD LYS 9 -9.155 -14.910 -13.819 70 HE2 LYS 9 2HE LYS 9 -10.860 -13.728 -13.030 71 HE3 LYS 9 3HE LYS 9 -10.322 -12.314 -13.935 72 HZ1 LYS 9 3HZ LYS 9 -12.662 -13.343 -14.356 73 HZ2 LYS 9 1HZ LYS 9 -11.806 -14.416 -15.346 74 HZ3 LYS 9 2HZ LYS 9 -11.746 -12.753 -15.650 75 H SER 10 H SER 10 -4.606 -15.346 -17.408 76 HA SER 10 HA SER 10 -6.199 -17.506 -18.399 77 HB2 SER 10 2HB SER 10 -4.240 -15.987 -19.496 78 HB3 SER 10 3HB SER 10 -3.323 -17.439 -19.095 79 HG SER 10 HG SER 10 -4.203 -17.657 -21.151 80 H LYS 11 H LYS 11 -3.236 -17.266 -16.471 81 HA LYS 11 HA LYS 11 -3.388 -20.155 -15.948 82 HB2 LYS 11 2HB LYS 11 -1.149 -18.167 -15.912 83 HB3 LYS 11 3HB LYS 11 -1.030 -19.616 -14.922 84 HG2 LYS 11 2HG LYS 11 -1.809 -20.602 -17.367 85 HG3 LYS 11 3HG LYS 11 -0.715 -19.283 -17.791 86 HD2 LYS 11 2HD LYS 11 0.796 -20.351 -15.935 87 HD3 LYS 11 3HD LYS 11 -0.173 -21.789 -16.262 88 HE2 LYS 11 2HE LYS 11 0.549 -21.908 -18.485 89 HE3 LYS 11 3HE LYS 11 1.125 -20.242 -18.480 90 HZ1 LYS 11 3HZ LYS 11 2.674 -22.425 -18.125 91 HZ2 LYS 11 1HZ LYS 11 2.417 -21.918 -16.531 92 HZ3 LYS 11 2HZ LYS 11 3.092 -20.854 -17.658 93 H ASN 12 H ASN 12 -4.082 -17.161 -14.578 94 HA ASN 12 HA ASN 12 -4.791 -16.517 -12.515 95 HB2 ASN 12 2HB ASN 12 -5.701 -19.091 -12.794 96 HB3 ASN 12 3HB ASN 12 -4.796 -19.184 -11.286 97 HD21 ASN 12 2HD2 ASN 12 -7.451 -17.926 -9.503 98 HD22 ASN 12 1HD2 ASN 12 -6.126 -19.026 -9.642 99 H GLU 13 H GLU 13 -2.158 -16.210 -12.876 100 HA GLU 13 HA GLU 13 -1.103 -16.685 -10.198 101 HB2 GLU 13 2HB GLU 13 0.729 -17.184 -12.511 102 HB3 GLU 13 3HB GLU 13 0.860 -17.741 -10.849 103 HG2 GLU 13 2HG GLU 13 -0.971 -19.305 -11.218 104 HG3 GLU 13 3HG GLU 13 -1.123 -18.740 -12.881 105 H CYS 14 H CYS 14 0.675 -15.290 -9.642 106 HA CYS 14 HA CYS 14 0.885 -12.920 -11.380 107 HB2 CYS 14 2HB CYS 14 -0.441 -12.822 -9.084 108 HB3 CYS 14 3HB CYS 14 1.182 -12.648 -8.423 109 H LYS 15 H LYS 15 2.876 -11.834 -11.412 110 HA LYS 15 HA LYS 15 5.117 -13.030 -9.980 111 HB2 LYS 15 2HB LYS 15 6.449 -13.341 -11.980 112 HB3 LYS 15 3HB LYS 15 4.958 -14.263 -12.119 113 HG2 LYS 15 2HG LYS 15 5.158 -11.519 -13.289 114 HG3 LYS 15 3HG LYS 15 5.805 -12.918 -14.150 115 HD2 LYS 15 2HD LYS 15 3.209 -13.584 -13.208 116 HD3 LYS 15 3HD LYS 15 3.114 -12.011 -14.002 117 HE2 LYS 15 2HE LYS 15 4.418 -13.075 -15.910 118 HE3 LYS 15 3HE LYS 15 4.077 -14.623 -15.139 119 HZ1 LYS 15 3HZ LYS 15 2.360 -14.384 -16.648 120 HZ2 LYS 15 1HZ LYS 15 2.193 -12.722 -16.376 121 HZ3 LYS 15 2HZ LYS 15 1.653 -13.826 -15.215 122 H TYR 16 H TYR 16 6.857 -11.648 -9.682 123 HA TYR 16 HA TYR 16 6.795 -9.016 -10.929 124 HB2 TYR 16 2HB TYR 16 6.841 -7.808 -8.836 125 HB3 TYR 16 3HB TYR 16 5.409 -8.832 -8.868 126 HD1 TYR 16 HD1 TYR 16 8.190 -7.830 -6.956 127 HD2 TYR 16 HD2 TYR 16 5.700 -11.190 -7.739 128 HE1 TYR 16 HE1 TYR 16 8.859 -8.819 -4.805 129 HE2 TYR 16 HE2 TYR 16 6.360 -12.188 -5.590 130 HH TYR 16 HH TYR 16 8.952 -10.943 -3.706 131 H LYS 17 H LYS 17 8.749 -7.716 -10.289 132 HA LYS 17 HA LYS 17 11.069 -9.482 -10.292 133 HB2 LYS 17 2HB LYS 17 10.699 -7.549 -11.942 134 HB3 LYS 17 3HB LYS 17 11.116 -6.487 -10.603 135 HG2 LYS 17 2HG LYS 17 13.165 -8.301 -10.572 136 HG3 LYS 17 3HG LYS 17 12.825 -8.132 -12.295 137 HD2 LYS 17 2HD LYS 17 12.867 -5.606 -11.859 138 HD3 LYS 17 3HD LYS 17 13.632 -6.016 -10.322 139 HE2 LYS 17 2HE LYS 17 15.570 -6.009 -11.422 140 HE3 LYS 17 3HE LYS 17 15.036 -7.505 -12.187 141 HZ1 LYS 17 3HZ LYS 17 15.773 -5.724 -13.747 142 HZ2 LYS 17 1HZ LYS 17 14.428 -4.814 -13.274 143 HZ3 LYS 17 2HZ LYS 17 14.212 -6.306 -14.039 144 H ASN 18 H ASN 18 12.640 -9.502 -8.745 145 HA ASN 18 HA ASN 18 12.236 -7.761 -6.404 146 HB2 ASN 18 2HB ASN 18 12.533 -9.526 -4.909 147 HB3 ASN 18 3HB ASN 18 11.559 -10.260 -6.179 148 HD21 ASN 18 2HD2 ASN 18 14.285 -12.187 -7.480 149 HD22 ASN 18 1HD2 ASN 18 12.952 -11.218 -7.999 150 H SER 19 H SER 19 14.398 -8.461 -4.909 151 HA SER 19 HA SER 19 16.475 -6.988 -6.059 152 HB2 SER 19 2HB SER 19 15.951 -7.807 -3.552 153 HB3 SER 19 3HB SER 19 17.198 -8.979 -3.977 154 HG SER 19 HG SER 19 17.395 -6.265 -3.535 155 H ALA 20 H ALA 20 15.914 -10.464 -5.916 156 HA ALA 20 HA ALA 20 18.405 -11.334 -6.854 157 HB1 ALA 20 1HB ALA 20 16.041 -12.539 -6.099 158 HB2 ALA 20 2HB ALA 20 16.196 -12.962 -7.804 159 HB3 ALA 20 3HB ALA 20 17.492 -13.359 -6.675 160 H GLY 21 H GLY 21 15.651 -9.991 -8.525 161 HA2 GLY 21 2HA GLY 21 15.745 -8.994 -10.652 162 HA3 GLY 21 3HA GLY 21 17.239 -9.862 -10.969 163 H LYS 22 H LYS 22 15.721 -12.330 -9.890 164 HA LYS 22 HA LYS 22 14.903 -13.268 -12.474 165 HB2 LYS 22 2HB LYS 22 14.657 -14.608 -9.775 166 HB3 LYS 22 3HB LYS 22 14.475 -15.393 -11.338 167 HG2 LYS 22 2HG LYS 22 16.786 -15.044 -11.854 168 HG3 LYS 22 3HG LYS 22 17.006 -14.054 -10.409 169 HD2 LYS 22 2HD LYS 22 17.595 -15.906 -9.324 170 HD3 LYS 22 3HD LYS 22 15.931 -16.469 -9.498 171 HE2 LYS 22 2HE LYS 22 18.231 -16.984 -11.378 172 HE3 LYS 22 3HE LYS 22 17.434 -18.158 -10.331 173 HZ1 LYS 22 3HZ LYS 22 16.663 -17.211 -12.923 174 HZ2 LYS 22 1HZ LYS 22 15.399 -17.119 -11.802 175 HZ3 LYS 22 2HZ LYS 22 16.168 -18.598 -12.090 176 H ASP 23 H ASP 23 12.816 -14.198 -12.954 177 HA ASP 23 HA ASP 23 10.646 -12.685 -11.681 178 HB2 ASP 23 2HB ASP 23 9.375 -13.510 -13.782 179 HB3 ASP 23 3HB ASP 23 10.583 -12.242 -13.974 180 H THR 24 H THR 24 9.531 -13.738 -10.188 181 HA THR 24 HA THR 24 9.224 -16.655 -10.437 182 HB THR 24 HB THR 24 10.340 -15.926 -8.371 183 HG1 THR 24 HG1 THR 24 7.716 -16.821 -7.741 184 HG21 THR 24 3HG2 THR 24 9.664 -14.161 -7.191 185 HG22 THR 24 1HG2 THR 24 8.050 -14.845 -7.006 186 HG23 THR 24 2HG2 THR 24 8.435 -13.866 -8.421 187 H PHE 25 H PHE 25 7.238 -17.575 -10.499 188 HA PHE 25 HA PHE 25 4.935 -15.741 -10.515 189 HB2 PHE 25 2HB PHE 25 3.851 -17.632 -11.871 190 HB3 PHE 25 3HB PHE 25 5.094 -16.674 -12.670 191 HD1 PHE 25 HD1 PHE 25 7.304 -17.617 -13.102 192 HD2 PHE 25 HD2 PHE 25 4.194 -19.944 -11.362 193 HE1 PHE 25 HE1 PHE 25 8.556 -19.671 -13.620 194 HE2 PHE 25 HE2 PHE 25 5.441 -22.002 -11.876 195 HZ PHE 25 HZ PHE 25 7.625 -21.867 -13.006 196 H ILE 26 H ILE 26 3.153 -16.183 -9.297 197 HA ILE 26 HA ILE 26 3.268 -18.588 -7.597 198 HB ILE 26 HB ILE 26 3.796 -16.646 -6.242 199 HG12 ILE 26 2HG1 ILE 26 1.001 -17.047 -5.384 200 HG13 ILE 26 3HG1 ILE 26 1.915 -18.526 -5.658 201 HG21 ILE 26 1HG2 ILE 26 1.970 -15.335 -7.913 202 HG22 ILE 26 2HG2 ILE 26 1.271 -15.283 -6.296 203 HG23 ILE 26 3HG2 ILE 26 2.891 -14.646 -6.577 204 HD11 ILE 26 3HD1 ILE 26 3.394 -18.083 -3.953 205 HD12 ILE 26 1HD1 ILE 26 3.083 -16.347 -3.991 206 HD13 ILE 26 2HD1 ILE 26 1.882 -17.444 -3.308 207 H LYS 27 H LYS 27 1.558 -19.875 -7.747 208 HA LYS 27 HA LYS 27 -0.750 -19.027 -9.277 209 HB2 LYS 27 2HB LYS 27 -1.454 -21.367 -9.116 210 HB3 LYS 27 3HB LYS 27 0.211 -21.244 -9.669 211 HG2 LYS 27 2HG LYS 27 0.863 -22.578 -8.033 212 HG3 LYS 27 3HG LYS 27 0.236 -21.440 -6.837 213 HD2 LYS 27 2HD LYS 27 -2.064 -22.537 -7.456 214 HD3 LYS 27 3HD LYS 27 -1.047 -23.868 -8.012 215 HE2 LYS 27 2HE LYS 27 -0.461 -24.461 -5.917 216 HE3 LYS 27 3HE LYS 27 -0.366 -22.791 -5.361 217 HZ1 LYS 27 3HZ LYS 27 -2.203 -24.300 -4.431 218 HZ2 LYS 27 1HZ LYS 27 -2.981 -24.038 -5.910 219 HZ3 LYS 27 2HZ LYS 27 -2.618 -22.729 -4.902 220 H CYS 28 H CYS 28 -2.795 -18.721 -8.524 221 HA CYS 28 HA CYS 28 -3.194 -18.953 -5.613 222 HB2 CYS 28 2HB CYS 28 -4.898 -16.972 -6.186 223 HB3 CYS 28 3HB CYS 28 -3.217 -16.674 -5.755 224 HA PRO 29 HA PRO 29 -6.696 -21.441 -6.570 225 HB2 PRO 29 2HB PRO 29 -8.098 -21.114 -4.268 226 HB3 PRO 29 3HB PRO 29 -6.637 -22.103 -4.370 227 HG2 PRO 29 2HG PRO 29 -6.959 -19.296 -3.381 228 HG3 PRO 29 3HG PRO 29 -6.009 -20.624 -2.689 229 HD2 PRO 29 2HD PRO 29 -4.892 -18.651 -4.170 230 HD3 PRO 29 3HD PRO 29 -4.265 -20.312 -4.164 231 H LYS 30 H LYS 30 -9.271 -21.126 -5.815 232 HA LYS 30 HA LYS 30 -10.050 -18.625 -7.159 233 HB2 LYS 30 2HB LYS 30 -11.564 -21.234 -6.933 234 HB3 LYS 30 3HB LYS 30 -12.133 -19.794 -7.768 235 HG2 LYS 30 2HG LYS 30 -9.908 -20.051 -9.113 236 HG3 LYS 30 3HG LYS 30 -9.999 -21.721 -8.548 237 HD2 LYS 30 2HD LYS 30 -11.244 -22.010 -10.406 238 HD3 LYS 30 3HD LYS 30 -12.537 -21.347 -9.404 239 HE2 LYS 30 2HE LYS 30 -10.752 -19.567 -11.029 240 HE3 LYS 30 3HE LYS 30 -12.162 -20.346 -11.745 241 HZ1 LYS 30 3HZ LYS 30 -13.054 -18.379 -11.047 242 HZ2 LYS 30 1HZ LYS 30 -12.036 -18.245 -9.703 243 HZ3 LYS 30 2HZ LYS 30 -13.340 -19.322 -9.671 244 H PHE 31 H PHE 31 -9.624 -19.511 -4.178 245 HA PHE 31 HA PHE 31 -12.230 -18.941 -3.051 246 HB2 PHE 31 2HB PHE 31 -10.177 -20.457 -2.161 247 HB3 PHE 31 3HB PHE 31 -9.846 -18.959 -1.296 248 HD1 PHE 31 HD1 PHE 31 -10.772 -18.721 0.785 249 HD2 PHE 31 HD2 PHE 31 -12.745 -21.176 -2.078 250 HE1 PHE 31 HE1 PHE 31 -12.463 -19.319 2.469 251 HE2 PHE 31 HE2 PHE 31 -14.440 -21.777 -0.399 252 HZ PHE 31 HZ PHE 31 -14.301 -20.848 1.877 253 H ASP 32 H ASP 32 -12.192 -17.324 -1.124 254 HA ASP 32 HA ASP 32 -11.863 -14.748 -2.172 255 HB2 ASP 32 2HB ASP 32 -12.240 -13.991 0.197 256 HB3 ASP 32 3HB ASP 32 -13.458 -15.104 -0.420 257 H ASN 33 H ASN 33 -10.471 -13.024 -1.413 258 HA ASN 33 HA ASN 33 -8.393 -12.126 -1.161 259 HB2 ASN 33 2HB ASN 33 -8.962 -12.907 1.195 260 HB3 ASN 33 3HB ASN 33 -7.932 -14.301 0.881 261 HD21 ASN 33 2HD2 ASN 33 -5.533 -12.258 2.453 262 HD22 ASN 33 1HD2 ASN 33 -6.711 -13.497 2.703 263 H LYS 34 H LYS 34 -8.792 -14.487 -2.994 264 HA LYS 34 HA LYS 34 -5.979 -14.876 -3.590 265 HB2 LYS 34 2HB LYS 34 -7.803 -17.074 -2.706 266 HB3 LYS 34 3HB LYS 34 -6.591 -17.419 -3.933 267 HG2 LYS 34 2HG LYS 34 -5.081 -17.691 -2.344 268 HG3 LYS 34 3HG LYS 34 -5.298 -16.009 -1.856 269 HD2 LYS 34 2HD LYS 34 -7.487 -17.235 -0.750 270 HD3 LYS 34 3HD LYS 34 -6.237 -18.471 -0.589 271 HE2 LYS 34 2HE LYS 34 -5.505 -15.695 0.146 272 HE3 LYS 34 3HE LYS 34 -6.614 -16.544 1.221 273 HZ1 LYS 34 3HZ LYS 34 -4.280 -16.833 1.855 274 HZ2 LYS 34 1HZ LYS 34 -3.961 -17.569 0.365 275 HZ3 LYS 34 2HZ LYS 34 -5.012 -18.308 1.465 276 H LYS 35 H LYS 35 -8.048 -13.433 -4.886 277 HA LYS 35 HA LYS 35 -8.815 -15.048 -7.188 278 HB2 LYS 35 2HB LYS 35 -10.303 -13.338 -7.759 279 HB3 LYS 35 3HB LYS 35 -10.328 -13.334 -6.000 280 HG2 LYS 35 2HG LYS 35 -8.751 -11.451 -5.998 281 HG3 LYS 35 3HG LYS 35 -8.786 -11.440 -7.763 282 HD2 LYS 35 2HD LYS 35 -11.392 -11.314 -6.355 283 HD3 LYS 35 3HD LYS 35 -10.365 -9.881 -6.277 284 HE2 LYS 35 2HE LYS 35 -11.094 -9.311 -8.297 285 HE3 LYS 35 3HE LYS 35 -10.297 -10.743 -8.947 286 HZ1 LYS 35 3HZ LYS 35 -12.505 -10.940 -9.614 287 HZ2 LYS 35 1HZ LYS 35 -13.116 -10.428 -8.122 288 HZ3 LYS 35 2HZ LYS 35 -12.409 -11.957 -8.265 289 H CYS 36 H CYS 36 -8.369 -14.342 -9.367 290 HA CYS 36 HA CYS 36 -5.883 -12.774 -9.586 291 HB2 CYS 36 2HB CYS 36 -6.064 -15.438 -10.102 292 HB3 CYS 36 3HB CYS 36 -6.418 -14.772 -11.692 293 H THR 37 H THR 37 -5.809 -11.205 -11.103 294 HA THR 37 HA THR 37 -8.011 -11.032 -13.041 295 HB THR 37 HB THR 37 -7.094 -8.438 -12.000 296 HG1 THR 37 HG1 THR 37 -8.849 -9.956 -10.368 297 HG21 THR 37 3HG2 THR 37 -9.562 -9.721 -13.002 298 HG22 THR 37 1HG2 THR 37 -8.906 -8.117 -13.328 299 HG23 THR 37 2HG2 THR 37 -9.779 -8.425 -11.827 300 H LYS 38 H LYS 38 -7.408 -8.812 -14.389 301 HA LYS 38 HA LYS 38 -5.419 -9.512 -16.149 302 HB2 LYS 38 2HB LYS 38 -7.188 -7.365 -15.851 303 HB3 LYS 38 3HB LYS 38 -5.593 -6.627 -15.930 304 HG2 LYS 38 2HG LYS 38 -5.220 -7.331 -18.080 305 HG3 LYS 38 3HG LYS 38 -6.323 -8.702 -17.938 306 HD2 LYS 38 2HD LYS 38 -7.449 -5.954 -17.734 307 HD3 LYS 38 3HD LYS 38 -6.963 -6.543 -19.326 308 HE2 LYS 38 2HE LYS 38 -8.434 -8.429 -19.141 309 HE3 LYS 38 3HE LYS 38 -8.807 -8.032 -17.464 310 HZ1 LYS 38 3HZ LYS 38 -10.050 -7.096 -19.815 311 HZ2 LYS 38 1HZ LYS 38 -9.395 -5.781 -18.975 312 HZ3 LYS 38 2HZ LYS 38 -10.486 -6.819 -18.204 313 H ASP 39 H ASP 39 -3.292 -8.744 -16.539 314 HA ASP 39 HA ASP 39 -1.562 -8.809 -14.381 315 HB2 ASP 39 2HB ASP 39 0.024 -7.573 -16.077 316 HB3 ASP 39 3HB ASP 39 -0.498 -9.226 -16.388 317 H ASN 40 H ASN 40 -2.483 -5.919 -16.263 318 HA ASN 40 HA ASN 40 -1.371 -4.179 -14.238 319 HB2 ASN 40 2HB ASN 40 -2.687 -3.736 -16.906 320 HB3 ASN 40 3HB ASN 40 -2.403 -2.390 -15.806 321 HD21 ASN 40 2HD2 ASN 40 1.004 -4.357 -16.867 322 HD22 ASN 40 1HD2 ASN 40 -0.352 -5.209 -16.217 323 H ASN 41 H ASN 41 -4.171 -5.866 -14.461 324 HA ASN 41 HA ASN 41 -6.260 -4.164 -13.928 325 HB2 ASN 41 2HB ASN 41 -6.519 -6.594 -14.203 326 HB3 ASN 41 3HB ASN 41 -5.748 -6.856 -12.641 327 HD21 ASN 41 2HD2 ASN 41 -8.604 -6.283 -10.772 328 HD22 ASN 41 1HD2 ASN 41 -6.914 -6.637 -10.805 329 H LYS 42 H LYS 42 -5.081 -6.039 -11.192 330 HA LYS 42 HA LYS 42 -4.416 -3.670 -9.667 331 HB2 LYS 42 2HB LYS 42 -6.829 -5.365 -9.044 332 HB3 LYS 42 3HB LYS 42 -6.032 -4.387 -7.819 333 HG2 LYS 42 2HG LYS 42 -6.367 -2.511 -9.679 334 HG3 LYS 42 3HG LYS 42 -7.713 -3.568 -10.110 335 HD2 LYS 42 2HD LYS 42 -7.238 -2.659 -7.284 336 HD3 LYS 42 3HD LYS 42 -8.177 -1.700 -8.430 337 HE2 LYS 42 2HE LYS 42 -9.824 -3.364 -8.635 338 HE3 LYS 42 3HE LYS 42 -8.794 -4.591 -7.900 339 HZ1 LYS 42 3HZ LYS 42 -10.624 -3.636 -6.469 340 HZ2 LYS 42 1HZ LYS 42 -9.715 -2.211 -6.403 341 HZ3 LYS 42 2HZ LYS 42 -9.076 -3.651 -5.788 342 H CYS 43 H CYS 43 -2.948 -5.954 -10.538 343 HA CYS 43 HA CYS 43 -2.655 -7.746 -8.302 344 HB2 CYS 43 2HB CYS 43 -2.270 -8.599 -10.540 345 HB3 CYS 43 3HB CYS 43 -1.021 -7.390 -10.821 346 H THR 44 H THR 44 -1.391 -7.476 -6.588 347 HA THR 44 HA THR 44 1.022 -5.865 -6.758 348 HB THR 44 HB THR 44 -0.456 -5.110 -4.368 349 HG1 THR 44 HG1 THR 44 -1.504 -4.258 -6.880 350 HG21 THR 44 3HG2 THR 44 0.076 -2.815 -5.690 351 HG22 THR 44 1HG2 THR 44 1.246 -3.893 -6.449 352 HG23 THR 44 2HG2 THR 44 1.258 -3.669 -4.700 353 H VAL 45 H VAL 45 2.274 -5.954 -4.687 354 HA VAL 45 HA VAL 45 1.949 -8.612 -3.474 355 HB VAL 45 HB VAL 45 4.081 -8.295 -4.602 356 HG11 VAL 45 1HG1 VAL 45 5.648 -6.604 -4.020 357 HG12 VAL 45 2HG1 VAL 45 4.103 -5.799 -4.305 358 HG13 VAL 45 3HG1 VAL 45 4.665 -6.073 -2.656 359 HG21 VAL 45 3HG2 VAL 45 3.725 -9.218 -2.031 360 HG22 VAL 45 1HG2 VAL 45 5.150 -9.477 -3.038 361 HG23 VAL 45 2HG2 VAL 45 5.114 -8.142 -1.885 362 H ASP 46 H ASP 46 1.195 -8.702 -1.474 363 HA ASP 46 HA ASP 46 1.940 -6.619 0.442 364 HB2 ASP 46 2HB ASP 46 -0.905 -7.597 0.298 365 HB3 ASP 46 3HB ASP 46 -0.268 -6.200 1.162 366 H THR 47 H THR 47 2.220 -7.334 2.509 367 HA THR 47 HA THR 47 1.611 -10.167 3.040 368 HB THR 47 HB THR 47 3.946 -9.138 4.476 369 HG1 THR 47 HG1 THR 47 5.252 -9.454 2.475 370 HG21 THR 47 3HG2 THR 47 3.306 -11.589 2.846 371 HG22 THR 47 1HG2 THR 47 3.442 -11.456 4.599 372 HG23 THR 47 2HG2 THR 47 4.881 -11.315 3.589 373 H TYR 48 H TYR 48 1.240 -6.975 3.983 374 HA TYR 48 HA TYR 48 1.112 -7.397 6.825 375 HB2 TYR 48 2HB TYR 48 0.561 -5.110 4.981 376 HB3 TYR 48 3HB TYR 48 -0.094 -5.059 6.613 377 HD1 TYR 48 HD1 TYR 48 1.292 -4.571 8.474 378 HD2 TYR 48 HD2 TYR 48 3.038 -5.266 4.657 379 HE1 TYR 48 HE1 TYR 48 3.454 -3.758 9.321 380 HE2 TYR 48 HE2 TYR 48 5.205 -4.456 5.494 381 HH TYR 48 HH TYR 48 6.362 -4.223 7.683 382 H ASN 49 H ASN 49 -1.172 -7.226 4.153 383 HA ASN 49 HA ASN 49 -3.435 -7.559 5.959 384 HB2 ASN 49 2HB ASN 49 -3.074 -6.404 3.388 385 HB3 ASN 49 3HB ASN 49 -4.201 -7.745 3.209 386 HD21 ASN 49 2HD2 ASN 49 -6.826 -5.806 4.290 387 HD22 ASN 49 1HD2 ASN 49 -6.191 -7.012 3.228 388 H ASN 50 H ASN 50 -1.275 -9.634 5.263 389 HA ASN 50 HA ASN 50 -1.117 -11.867 4.815 390 HB2 ASN 50 2HB ASN 50 -2.773 -13.245 5.899 391 HB3 ASN 50 3HB ASN 50 -2.501 -11.821 6.898 392 HD21 ASN 50 2HD2 ASN 50 -6.083 -12.422 5.052 393 HD22 ASN 50 1HD2 ASN 50 -4.672 -13.293 4.567 394 H ALA 51 H ALA 51 -2.319 -10.096 2.718 395 HA ALA 51 HA ALA 51 -4.023 -12.008 1.291 396 HB1 ALA 51 1HB ALA 51 -5.040 -9.919 1.235 397 HB2 ALA 51 2HB ALA 51 -3.513 -9.073 0.981 398 HB3 ALA 51 3HB ALA 51 -4.229 -10.013 -0.328 399 H VAL 52 H VAL 52 -3.481 -12.866 -0.686 400 HA VAL 52 HA VAL 52 -0.655 -12.963 -1.286 401 HB VAL 52 HB VAL 52 -2.852 -14.263 -2.885 402 HG11 VAL 52 1HG1 VAL 52 -0.856 -14.509 -4.041 403 HG12 VAL 52 2HG1 VAL 52 0.097 -14.669 -2.564 404 HG13 VAL 52 3HG1 VAL 52 -0.941 -15.993 -3.093 405 HG21 VAL 52 3HG2 VAL 52 -1.656 -15.089 -0.261 406 HG22 VAL 52 1HG2 VAL 52 -3.353 -15.027 -0.737 407 HG23 VAL 52 2HG2 VAL 52 -2.298 -16.281 -1.391 408 H ASP 53 H ASP 53 0.212 -12.592 -3.421 409 HA ASP 53 HA ASP 53 -0.870 -10.179 -4.600 410 HB2 ASP 53 2HB ASP 53 1.197 -10.176 -5.942 411 HB3 ASP 53 3HB ASP 53 1.538 -10.338 -4.222 412 H CYS 54 H CYS 54 -2.677 -10.668 -5.763 413 HA CYS 54 HA CYS 54 -2.284 -11.901 -8.323 414 HB2 CYS 54 2HB CYS 54 -3.653 -13.363 -6.134 415 HB3 CYS 54 3HB CYS 54 -4.427 -13.407 -7.715 416 H ASP 55 H ASP 55 -3.374 -10.671 -9.693 417 HA ASP 55 HA ASP 55 -6.084 -10.115 -9.615 418 HB2 ASP 55 2HB ASP 55 -4.486 -8.309 -7.964 419 HB3 ASP 55 3HB ASP 55 -5.437 -7.461 -9.181 Start of MODEL 8 1 H1 ALA 1 H ALA 1 0.821 0.891 -0.178 2 HA ALA 1 HA ALA 1 1.264 -1.150 -1.962 3 HB1 ALA 1 1HB ALA 1 2.650 0.621 -3.230 4 HB2 ALA 1 2HB ALA 1 0.944 0.940 -2.917 5 HB3 ALA 1 3HB ALA 1 2.181 1.698 -1.915 6 H LYS 2 H LYS 2 3.192 -1.951 -2.988 7 HA LYS 2 HA LYS 2 5.670 -1.703 -1.455 8 HB2 LYS 2 2HB LYS 2 4.024 -4.155 -1.732 9 HB3 LYS 2 3HB LYS 2 5.761 -4.351 -1.932 10 HG2 LYS 2 2HG LYS 2 4.990 -2.759 0.400 11 HG3 LYS 2 3HG LYS 2 4.440 -4.435 0.440 12 HD2 LYS 2 2HD LYS 2 6.607 -4.288 1.486 13 HD3 LYS 2 3HD LYS 2 6.761 -5.160 -0.041 14 HE2 LYS 2 2HE LYS 2 7.147 -2.239 -0.177 15 HE3 LYS 2 3HE LYS 2 8.378 -3.135 0.711 16 HZ1 LYS 2 3HZ LYS 2 7.609 -3.390 -2.129 17 HZ2 LYS 2 1HZ LYS 2 8.426 -4.638 -1.330 18 HZ3 LYS 2 2HZ LYS 2 9.141 -3.112 -1.469 19 H TYR 3 H TYR 3 4.592 -3.941 -3.998 20 HA TYR 3 HA TYR 3 6.456 -2.638 -5.859 21 HB2 TYR 3 2HB TYR 3 6.894 -5.133 -4.667 22 HB3 TYR 3 3HB TYR 3 6.333 -5.499 -6.295 23 HD1 TYR 3 HD1 TYR 3 7.599 -4.670 -8.256 24 HD2 TYR 3 HD2 TYR 3 9.049 -4.176 -4.286 25 HE1 TYR 3 HE1 TYR 3 9.845 -4.200 -9.141 26 HE2 TYR 3 HE2 TYR 3 11.299 -3.703 -5.161 27 HH TYR 3 HH TYR 3 12.241 -4.379 -8.271 28 H THR 4 H THR 4 6.042 -3.175 -8.131 29 HA THR 4 HA THR 4 3.170 -3.335 -8.619 30 HB THR 4 HB THR 4 4.611 -2.989 -11.050 31 HG1 THR 4 HG1 THR 4 5.857 -1.170 -10.527 32 HG21 THR 4 3HG2 THR 4 3.470 -0.813 -11.055 33 HG22 THR 4 1HG2 THR 4 3.045 -1.036 -9.358 34 HG23 THR 4 2HG2 THR 4 2.379 -2.116 -10.584 35 H GLY 5 H GLY 5 2.279 -5.229 -9.093 36 HA2 GLY 5 2HA GLY 5 3.888 -7.177 -10.627 37 HA3 GLY 5 3HA GLY 5 2.832 -7.662 -9.309 38 H LYS 6 H LYS 6 2.510 -8.866 -11.704 39 HA LYS 6 HA LYS 6 -0.142 -7.929 -12.475 40 HB2 LYS 6 2HB LYS 6 0.892 -8.690 -14.916 41 HB3 LYS 6 3HB LYS 6 0.622 -7.035 -14.385 42 HG2 LYS 6 2HG LYS 6 2.893 -6.819 -13.676 43 HG3 LYS 6 3HG LYS 6 3.196 -8.535 -13.959 44 HD2 LYS 6 2HD LYS 6 3.042 -8.277 -16.300 45 HD3 LYS 6 3HD LYS 6 2.321 -6.672 -16.153 46 HE2 LYS 6 2HE LYS 6 4.321 -5.659 -15.795 47 HE3 LYS 6 3HE LYS 6 4.995 -7.048 -14.944 48 HZ1 LYS 6 3HZ LYS 6 5.189 -8.174 -17.110 49 HZ2 LYS 6 1HZ LYS 6 6.122 -6.765 -17.023 50 HZ3 LYS 6 2HZ LYS 6 4.664 -6.763 -17.880 51 H CYS 7 H CYS 7 -1.537 -9.566 -12.709 52 HA CYS 7 HA CYS 7 -0.433 -12.287 -12.977 53 HB2 CYS 7 2HB CYS 7 -1.475 -12.844 -11.082 54 HB3 CYS 7 3HB CYS 7 -2.058 -11.192 -10.913 55 H THR 8 H THR 8 -1.399 -13.675 -14.399 56 HA THR 8 HA THR 8 -3.378 -12.474 -16.207 57 HB THR 8 HB THR 8 -1.296 -13.205 -17.278 58 HG1 THR 8 HG1 THR 8 -3.534 -13.518 -18.231 59 HG21 THR 8 3HG2 THR 8 -1.765 -16.059 -17.108 60 HG22 THR 8 1HG2 THR 8 -1.452 -15.357 -15.522 61 HG23 THR 8 2HG2 THR 8 -0.284 -15.145 -16.826 62 H LYS 9 H LYS 9 -5.403 -13.180 -16.176 63 HA LYS 9 HA LYS 9 -6.371 -15.093 -14.401 64 HB2 LYS 9 2HB LYS 9 -7.488 -13.252 -16.116 65 HB3 LYS 9 3HB LYS 9 -7.996 -14.782 -16.819 66 HG2 LYS 9 2HG LYS 9 -8.328 -14.571 -13.907 67 HG3 LYS 9 3HG LYS 9 -9.331 -13.484 -14.869 68 HD2 LYS 9 2HD LYS 9 -9.661 -15.777 -16.246 69 HD3 LYS 9 3HD LYS 9 -9.408 -16.425 -14.624 70 HE2 LYS 9 2HE LYS 9 -11.293 -14.148 -14.956 71 HE3 LYS 9 3HE LYS 9 -11.812 -15.743 -15.498 72 HZ1 LYS 9 3HZ LYS 9 -10.661 -15.391 -12.808 73 HZ2 LYS 9 1HZ LYS 9 -11.710 -16.594 -13.370 74 HZ3 LYS 9 2HZ LYS 9 -12.289 -15.030 -13.090 75 H SER 10 H SER 10 -4.886 -15.489 -17.466 76 HA SER 10 HA SER 10 -6.031 -17.922 -18.287 77 HB2 SER 10 2HB SER 10 -3.152 -17.278 -18.834 78 HB3 SER 10 3HB SER 10 -4.351 -18.012 -19.899 79 HG SER 10 HG SER 10 -5.265 -16.039 -20.234 80 H LYS 11 H LYS 11 -3.188 -17.223 -16.289 81 HA LYS 11 HA LYS 11 -2.994 -20.083 -15.636 82 HB2 LYS 11 2HB LYS 11 -1.034 -17.883 -15.856 83 HB3 LYS 11 3HB LYS 11 -0.776 -18.994 -14.518 84 HG2 LYS 11 2HG LYS 11 0.316 -20.267 -15.974 85 HG3 LYS 11 3HG LYS 11 -1.266 -20.676 -16.641 86 HD2 LYS 11 2HD LYS 11 -0.488 -19.853 -18.570 87 HD3 LYS 11 3HD LYS 11 -0.696 -18.262 -17.834 88 HE2 LYS 11 2HE LYS 11 1.552 -18.059 -17.331 89 HE3 LYS 11 3HE LYS 11 1.820 -19.801 -17.357 90 HZ1 LYS 11 3HZ LYS 11 2.558 -19.556 -19.417 91 HZ2 LYS 11 1HZ LYS 11 2.116 -17.924 -19.455 92 HZ3 LYS 11 2HZ LYS 11 1.000 -19.113 -19.902 93 H ASN 12 H ASN 12 -4.343 -17.320 -14.471 94 HA ASN 12 HA ASN 12 -5.056 -16.588 -12.434 95 HB2 ASN 12 2HB ASN 12 -5.656 -19.306 -12.672 96 HB3 ASN 12 3HB ASN 12 -4.988 -19.139 -11.051 97 HD21 ASN 12 2HD2 ASN 12 -8.057 -18.135 -9.859 98 HD22 ASN 12 1HD2 ASN 12 -6.645 -19.120 -9.709 99 H GLU 13 H GLU 13 -2.254 -16.461 -12.814 100 HA GLU 13 HA GLU 13 -1.394 -16.577 -10.016 101 HB2 GLU 13 2HB GLU 13 0.424 -17.883 -10.368 102 HB3 GLU 13 3HB GLU 13 -0.537 -18.489 -11.709 103 HG2 GLU 13 2HG GLU 13 1.435 -16.238 -11.973 104 HG3 GLU 13 3HG GLU 13 1.843 -17.931 -12.247 105 H CYS 14 H CYS 14 0.471 -15.195 -9.564 106 HA CYS 14 HA CYS 14 0.684 -12.962 -11.476 107 HB2 CYS 14 2HB CYS 14 -0.609 -12.559 -9.283 108 HB3 CYS 14 3HB CYS 14 0.964 -12.636 -8.497 109 H LYS 15 H LYS 15 2.693 -11.836 -11.532 110 HA LYS 15 HA LYS 15 4.959 -12.928 -10.104 111 HB2 LYS 15 2HB LYS 15 6.178 -13.738 -11.942 112 HB3 LYS 15 3HB LYS 15 4.559 -14.384 -12.173 113 HG2 LYS 15 2HG LYS 15 5.621 -11.916 -13.531 114 HG3 LYS 15 3HG LYS 15 5.593 -13.529 -14.247 115 HD2 LYS 15 2HD LYS 15 3.013 -13.260 -13.426 116 HD3 LYS 15 3HD LYS 15 3.418 -11.595 -13.853 117 HE2 LYS 15 2HE LYS 15 4.473 -13.129 -15.918 118 HE3 LYS 15 3HE LYS 15 2.917 -13.878 -15.562 119 HZ1 LYS 15 3HZ LYS 15 3.495 -11.314 -16.752 120 HZ2 LYS 15 1HZ LYS 15 2.302 -11.262 -15.554 121 HZ3 LYS 15 2HZ LYS 15 2.117 -12.285 -16.888 122 H TYR 16 H TYR 16 6.618 -11.486 -9.919 123 HA TYR 16 HA TYR 16 6.662 -9.120 -11.621 124 HB2 TYR 16 2HB TYR 16 6.555 -7.548 -9.827 125 HB3 TYR 16 3HB TYR 16 5.179 -8.629 -9.640 126 HD1 TYR 16 HD1 TYR 16 5.577 -10.679 -8.043 127 HD2 TYR 16 HD2 TYR 16 7.888 -7.107 -7.986 128 HE1 TYR 16 HE1 TYR 16 6.270 -11.171 -5.735 129 HE2 TYR 16 HE2 TYR 16 8.588 -7.590 -5.679 130 HH TYR 16 HH TYR 16 8.575 -9.091 -4.026 131 H LYS 17 H LYS 17 8.595 -7.715 -11.056 132 HA LYS 17 HA LYS 17 10.900 -9.459 -10.757 133 HB2 LYS 17 2HB LYS 17 10.679 -7.706 -12.576 134 HB3 LYS 17 3HB LYS 17 10.899 -6.493 -11.321 135 HG2 LYS 17 2HG LYS 17 12.979 -8.417 -11.083 136 HG3 LYS 17 3HG LYS 17 12.870 -7.906 -12.769 137 HD2 LYS 17 2HD LYS 17 12.976 -5.558 -12.047 138 HD3 LYS 17 3HD LYS 17 13.124 -6.090 -10.371 139 HE2 LYS 17 2HE LYS 17 15.329 -5.758 -10.915 140 HE3 LYS 17 3HE LYS 17 15.146 -7.466 -11.309 141 HZ1 LYS 17 3HZ LYS 17 15.219 -7.055 -13.542 142 HZ2 LYS 17 1HZ LYS 17 16.243 -5.827 -12.990 143 HZ3 LYS 17 2HZ LYS 17 14.642 -5.471 -13.400 144 H ASN 18 H ASN 18 12.121 -9.605 -8.987 145 HA ASN 18 HA ASN 18 11.656 -7.658 -6.827 146 HB2 ASN 18 2HB ASN 18 12.696 -9.643 -5.438 147 HB3 ASN 18 3HB ASN 18 10.992 -9.657 -5.882 148 HD21 ASN 18 2HD2 ASN 18 13.447 -12.560 -7.106 149 HD22 ASN 18 1HD2 ASN 18 13.906 -11.315 -5.999 150 H SER 19 H SER 19 13.674 -7.875 -5.200 151 HA SER 19 HA SER 19 15.832 -6.637 -6.546 152 HB2 SER 19 2HB SER 19 14.989 -6.882 -3.896 153 HB3 SER 19 3HB SER 19 16.557 -7.689 -3.936 154 HG SER 19 HG SER 19 16.141 -5.132 -5.072 155 H ALA 20 H ALA 20 15.285 -9.906 -5.364 156 HA ALA 20 HA ALA 20 17.880 -10.913 -5.616 157 HB1 ALA 20 1HB ALA 20 15.644 -12.723 -6.304 158 HB2 ALA 20 2HB ALA 20 16.972 -12.937 -5.161 159 HB3 ALA 20 3HB ALA 20 15.582 -11.945 -4.722 160 H GLY 21 H GLY 21 15.421 -10.279 -8.013 161 HA2 GLY 21 2HA GLY 21 15.870 -9.964 -10.305 162 HA3 GLY 21 3HA GLY 21 17.374 -10.853 -10.109 163 H LYS 22 H LYS 22 15.646 -12.901 -8.564 164 HA LYS 22 HA LYS 22 15.111 -14.542 -10.886 165 HB2 LYS 22 2HB LYS 22 14.820 -15.143 -7.937 166 HB3 LYS 22 3HB LYS 22 14.655 -16.319 -9.233 167 HG2 LYS 22 2HG LYS 22 16.865 -16.560 -9.459 168 HG3 LYS 22 3HG LYS 22 17.169 -14.829 -9.296 169 HD2 LYS 22 2HD LYS 22 17.507 -14.965 -7.061 170 HD3 LYS 22 3HD LYS 22 16.289 -16.226 -6.848 171 HE2 LYS 22 2HE LYS 22 18.382 -17.219 -6.356 172 HE3 LYS 22 3HE LYS 22 17.907 -17.814 -7.946 173 HZ1 LYS 22 3HZ LYS 22 19.456 -15.411 -8.089 174 HZ2 LYS 22 1HZ LYS 22 19.685 -16.890 -8.879 175 HZ3 LYS 22 2HZ LYS 22 20.292 -16.662 -7.316 176 H ASP 23 H ASP 23 13.238 -14.384 -11.916 177 HA ASP 23 HA ASP 23 10.956 -13.090 -11.056 178 HB2 ASP 23 2HB ASP 23 9.791 -14.636 -12.792 179 HB3 ASP 23 3HB ASP 23 11.025 -13.509 -13.346 180 H THR 24 H THR 24 9.288 -13.572 -9.767 181 HA THR 24 HA THR 24 9.105 -16.328 -8.732 182 HB THR 24 HB THR 24 9.841 -14.847 -6.965 183 HG1 THR 24 HG1 THR 24 8.001 -16.464 -6.683 184 HG21 THR 24 3HG2 THR 24 7.470 -13.223 -6.684 185 HG22 THR 24 1HG2 THR 24 8.244 -12.944 -8.243 186 HG23 THR 24 2HG2 THR 24 9.162 -12.732 -6.752 187 H PHE 25 H PHE 25 7.253 -17.362 -9.081 188 HA PHE 25 HA PHE 25 4.829 -15.782 -9.609 189 HB2 PHE 25 2HB PHE 25 4.184 -17.484 -11.314 190 HB3 PHE 25 3HB PHE 25 5.614 -16.557 -11.757 191 HD1 PHE 25 HD1 PHE 25 4.316 -19.831 -10.834 192 HD2 PHE 25 HD2 PHE 25 7.817 -17.593 -11.761 193 HE1 PHE 25 HE1 PHE 25 5.564 -21.926 -11.163 194 HE2 PHE 25 HE2 PHE 25 9.070 -19.684 -12.093 195 HZ PHE 25 HZ PHE 25 7.944 -21.854 -11.795 196 H ILE 26 H ILE 26 2.885 -16.672 -8.911 197 HA ILE 26 HA ILE 26 2.899 -19.265 -7.599 198 HB ILE 26 HB ILE 26 3.620 -17.825 -5.789 199 HG12 ILE 26 2HG1 ILE 26 0.732 -18.194 -5.144 200 HG13 ILE 26 3HG1 ILE 26 1.658 -19.616 -5.609 201 HG21 ILE 26 1HG2 ILE 26 2.016 -15.910 -7.027 202 HG22 ILE 26 2HG2 ILE 26 1.249 -16.219 -5.470 203 HG23 ILE 26 3HG2 ILE 26 2.940 -15.724 -5.537 204 HD11 ILE 26 3HD1 ILE 26 2.394 -19.775 -3.536 205 HD12 ILE 26 1HD1 ILE 26 3.200 -18.217 -3.714 206 HD13 ILE 26 2HD1 ILE 26 1.549 -18.291 -3.097 207 H LYS 27 H LYS 27 1.060 -20.283 -8.032 208 HA LYS 27 HA LYS 27 -1.101 -18.893 -9.326 209 HB2 LYS 27 2HB LYS 27 -0.766 -21.783 -8.509 210 HB3 LYS 27 3HB LYS 27 -2.145 -21.167 -9.409 211 HG2 LYS 27 2HG LYS 27 -1.016 -21.107 -11.340 212 HG3 LYS 27 3HG LYS 27 0.454 -20.494 -10.578 213 HD2 LYS 27 2HD LYS 27 0.939 -22.760 -9.744 214 HD3 LYS 27 3HD LYS 27 -0.507 -23.356 -10.562 215 HE2 LYS 27 2HE LYS 27 1.810 -22.006 -11.941 216 HE3 LYS 27 3HE LYS 27 1.596 -23.752 -11.825 217 HZ1 LYS 27 3HZ LYS 27 0.114 -23.734 -13.467 218 HZ2 LYS 27 1HZ LYS 27 0.633 -22.160 -13.805 219 HZ3 LYS 27 2HZ LYS 27 -0.727 -22.411 -12.832 220 H CYS 28 H CYS 28 -3.200 -18.627 -8.586 221 HA CYS 28 HA CYS 28 -3.575 -19.024 -5.689 222 HB2 CYS 28 2HB CYS 28 -4.846 -16.852 -7.363 223 HB3 CYS 28 3HB CYS 28 -4.882 -17.008 -5.609 224 HA PRO 29 HA PRO 29 -7.058 -21.530 -6.677 225 HB2 PRO 29 2HB PRO 29 -8.410 -21.319 -4.333 226 HB3 PRO 29 3HB PRO 29 -6.938 -22.282 -4.510 227 HG2 PRO 29 2HG PRO 29 -7.275 -19.525 -3.395 228 HG3 PRO 29 3HG PRO 29 -6.291 -20.867 -2.782 229 HD2 PRO 29 2HD PRO 29 -5.236 -18.817 -4.203 230 HD3 PRO 29 3HD PRO 29 -4.587 -20.468 -4.282 231 H LYS 30 H LYS 30 -9.620 -21.259 -5.790 232 HA LYS 30 HA LYS 30 -10.468 -18.752 -7.077 233 HB2 LYS 30 2HB LYS 30 -11.763 -21.465 -6.884 234 HB3 LYS 30 3HB LYS 30 -12.673 -20.034 -7.351 235 HG2 LYS 30 2HG LYS 30 -10.612 -19.827 -9.053 236 HG3 LYS 30 3HG LYS 30 -10.662 -21.580 -8.853 237 HD2 LYS 30 2HD LYS 30 -12.077 -21.155 -10.673 238 HD3 LYS 30 3HD LYS 30 -13.172 -21.378 -9.307 239 HE2 LYS 30 2HE LYS 30 -12.270 -18.615 -9.751 240 HE3 LYS 30 3HE LYS 30 -13.271 -19.289 -11.036 241 HZ1 LYS 30 3HZ LYS 30 -13.961 -18.725 -8.245 242 HZ2 LYS 30 1HZ LYS 30 -14.733 -20.021 -9.012 243 HZ3 LYS 30 2HZ LYS 30 -14.861 -18.461 -9.652 244 H PHE 31 H PHE 31 -9.886 -19.639 -4.121 245 HA PHE 31 HA PHE 31 -12.428 -19.043 -2.863 246 HB2 PHE 31 2HB PHE 31 -10.342 -20.589 -2.085 247 HB3 PHE 31 3HB PHE 31 -9.977 -19.104 -1.212 248 HD1 PHE 31 HD1 PHE 31 -12.891 -21.328 -1.912 249 HD2 PHE 31 HD2 PHE 31 -10.842 -18.874 0.898 250 HE1 PHE 31 HE1 PHE 31 -14.524 -21.953 -0.181 251 HE2 PHE 31 HE2 PHE 31 -12.471 -19.496 2.634 252 HZ PHE 31 HZ PHE 31 -14.314 -21.038 2.096 253 H ASP 32 H ASP 32 -12.236 -17.448 -0.910 254 HA ASP 32 HA ASP 32 -11.920 -14.866 -1.968 255 HB2 ASP 32 2HB ASP 32 -12.557 -16.034 0.667 256 HB3 ASP 32 3HB ASP 32 -11.856 -14.419 0.714 257 H ASN 33 H ASN 33 -10.456 -13.179 -1.285 258 HA ASN 33 HA ASN 33 -8.349 -12.328 -1.128 259 HB2 ASN 33 2HB ASN 33 -8.816 -13.030 1.253 260 HB3 ASN 33 3HB ASN 33 -7.905 -14.501 0.924 261 HD21 ASN 33 2HD2 ASN 33 -5.479 -12.342 2.471 262 HD22 ASN 33 1HD2 ASN 33 -6.846 -13.318 2.876 263 H LYS 34 H LYS 34 -8.869 -14.666 -2.941 264 HA LYS 34 HA LYS 34 -6.086 -15.153 -3.612 265 HB2 LYS 34 2HB LYS 34 -7.973 -17.271 -2.687 266 HB3 LYS 34 3HB LYS 34 -6.855 -17.665 -3.986 267 HG2 LYS 34 2HG LYS 34 -5.475 -18.231 -2.320 268 HG3 LYS 34 3HG LYS 34 -5.183 -16.494 -2.202 269 HD2 LYS 34 2HD LYS 34 -5.652 -17.330 -0.004 270 HD3 LYS 34 3HD LYS 34 -7.032 -16.365 -0.534 271 HE2 LYS 34 2HE LYS 34 -8.264 -18.129 0.082 272 HE3 LYS 34 3HE LYS 34 -7.701 -18.864 -1.418 273 HZ1 LYS 34 3HZ LYS 34 -6.020 -20.028 -0.276 274 HZ2 LYS 34 1HZ LYS 34 -7.422 -20.235 0.649 275 HZ3 LYS 34 2HZ LYS 34 -6.237 -19.133 1.143 276 H LYS 35 H LYS 35 -8.225 -13.639 -4.804 277 HA LYS 35 HA LYS 35 -9.022 -15.181 -7.144 278 HB2 LYS 35 2HB LYS 35 -10.590 -13.539 -7.568 279 HB3 LYS 35 3HB LYS 35 -10.468 -13.449 -5.816 280 HG2 LYS 35 2HG LYS 35 -9.022 -11.647 -7.747 281 HG3 LYS 35 3HG LYS 35 -10.504 -11.238 -6.880 282 HD2 LYS 35 2HD LYS 35 -9.084 -11.894 -4.775 283 HD3 LYS 35 3HD LYS 35 -7.722 -11.563 -5.848 284 HE2 LYS 35 2HE LYS 35 -7.957 -9.426 -5.250 285 HE3 LYS 35 3HE LYS 35 -9.396 -9.415 -6.268 286 HZ1 LYS 35 3HZ LYS 35 -9.822 -8.571 -4.023 287 HZ2 LYS 35 1HZ LYS 35 -9.371 -10.066 -3.370 288 HZ3 LYS 35 2HZ LYS 35 -10.739 -9.953 -4.358 289 H CYS 36 H CYS 36 -8.642 -14.375 -9.308 290 HA CYS 36 HA CYS 36 -6.163 -12.795 -9.523 291 HB2 CYS 36 2HB CYS 36 -6.332 -15.428 -10.137 292 HB3 CYS 36 3HB CYS 36 -6.771 -14.717 -11.687 293 H THR 37 H THR 37 -6.098 -11.194 -11.021 294 HA THR 37 HA THR 37 -8.380 -10.917 -12.852 295 HB THR 37 HB THR 37 -7.365 -8.372 -11.785 296 HG1 THR 37 HG1 THR 37 -9.072 -9.891 -10.106 297 HG21 THR 37 3HG2 THR 37 -9.901 -9.584 -12.699 298 HG22 THR 37 1HG2 THR 37 -9.235 -7.981 -13.008 299 HG23 THR 37 2HG2 THR 37 -10.039 -8.322 -11.475 300 H LYS 38 H LYS 38 -7.769 -8.634 -14.127 301 HA LYS 38 HA LYS 38 -5.884 -9.330 -16.009 302 HB2 LYS 38 2HB LYS 38 -7.574 -7.141 -15.541 303 HB3 LYS 38 3HB LYS 38 -5.962 -6.456 -15.703 304 HG2 LYS 38 2HG LYS 38 -6.321 -6.508 -17.894 305 HG3 LYS 38 3HG LYS 38 -6.082 -8.253 -17.781 306 HD2 LYS 38 2HD LYS 38 -8.120 -8.073 -18.886 307 HD3 LYS 38 3HD LYS 38 -8.601 -8.328 -17.206 308 HE2 LYS 38 2HE LYS 38 -8.551 -5.705 -17.128 309 HE3 LYS 38 3HE LYS 38 -8.739 -5.858 -18.874 310 HZ1 LYS 38 3HZ LYS 38 -10.537 -7.168 -16.912 311 HZ2 LYS 38 1HZ LYS 38 -10.759 -7.044 -18.585 312 HZ3 LYS 38 2HZ LYS 38 -10.857 -5.663 -17.614 313 H ASP 39 H ASP 39 -3.745 -8.707 -16.435 314 HA ASP 39 HA ASP 39 -1.954 -8.819 -14.328 315 HB2 ASP 39 2HB ASP 39 -0.365 -7.688 -16.096 316 HB3 ASP 39 3HB ASP 39 -0.971 -9.322 -16.356 317 H ASN 40 H ASN 40 -2.856 -5.927 -16.213 318 HA ASN 40 HA ASN 40 -1.558 -4.193 -14.299 319 HB2 ASN 40 2HB ASN 40 -3.339 -3.305 -16.562 320 HB3 ASN 40 3HB ASN 40 -2.018 -2.423 -15.800 321 HD21 ASN 40 2HD2 ASN 40 0.339 -4.855 -17.387 322 HD22 ASN 40 1HD2 ASN 40 -0.161 -4.568 -15.759 323 H ASN 41 H ASN 41 -4.433 -5.781 -14.322 324 HA ASN 41 HA ASN 41 -6.411 -3.991 -13.663 325 HB2 ASN 41 2HB ASN 41 -6.788 -6.408 -13.913 326 HB3 ASN 41 3HB ASN 41 -5.932 -6.701 -12.402 327 HD21 ASN 41 2HD2 ASN 41 -8.683 -6.147 -10.400 328 HD22 ASN 41 1HD2 ASN 41 -7.042 -6.662 -10.564 329 H LYS 42 H LYS 42 -5.122 -5.913 -11.008 330 HA LYS 42 HA LYS 42 -4.263 -3.576 -9.535 331 HB2 LYS 42 2HB LYS 42 -6.738 -5.122 -8.815 332 HB3 LYS 42 3HB LYS 42 -5.795 -4.300 -7.578 333 HG2 LYS 42 2HG LYS 42 -6.049 -2.224 -9.093 334 HG3 LYS 42 3HG LYS 42 -7.364 -3.135 -9.840 335 HD2 LYS 42 2HD LYS 42 -7.968 -3.468 -7.231 336 HD3 LYS 42 3HD LYS 42 -7.193 -1.883 -7.174 337 HE2 LYS 42 2HE LYS 42 -9.328 -1.226 -7.615 338 HE3 LYS 42 3HE LYS 42 -8.761 -1.458 -9.268 339 HZ1 LYS 42 3HZ LYS 42 -10.670 -2.658 -9.343 340 HZ2 LYS 42 1HZ LYS 42 -10.631 -3.067 -7.702 341 HZ3 LYS 42 2HZ LYS 42 -9.636 -3.881 -8.800 342 H CYS 43 H CYS 43 -2.953 -5.918 -10.491 343 HA CYS 43 HA CYS 43 -2.605 -7.742 -8.294 344 HB2 CYS 43 2HB CYS 43 -2.350 -8.567 -10.561 345 HB3 CYS 43 3HB CYS 43 -1.075 -7.395 -10.880 346 H THR 44 H THR 44 -1.254 -7.544 -6.637 347 HA THR 44 HA THR 44 1.201 -6.012 -6.890 348 HB THR 44 HB THR 44 0.096 -5.159 -4.422 349 HG1 THR 44 HG1 THR 44 -1.976 -5.392 -5.170 350 HG21 THR 44 3HG2 THR 44 0.089 -2.935 -5.947 351 HG22 THR 44 1HG2 THR 44 1.119 -3.977 -6.928 352 HG23 THR 44 2HG2 THR 44 1.551 -3.634 -5.252 353 H VAL 45 H VAL 45 2.589 -6.230 -4.958 354 HA VAL 45 HA VAL 45 2.176 -8.859 -3.709 355 HB VAL 45 HB VAL 45 4.227 -8.759 -4.959 356 HG11 VAL 45 1HG1 VAL 45 5.778 -6.870 -3.517 357 HG12 VAL 45 2HG1 VAL 45 5.341 -6.858 -5.227 358 HG13 VAL 45 3HG1 VAL 45 4.296 -6.072 -4.042 359 HG21 VAL 45 3HG2 VAL 45 5.412 -9.848 -3.400 360 HG22 VAL 45 1HG2 VAL 45 5.471 -8.444 -2.334 361 HG23 VAL 45 2HG2 VAL 45 4.057 -9.498 -2.328 362 H ASP 46 H ASP 46 1.433 -8.814 -1.701 363 HA ASP 46 HA ASP 46 2.552 -6.876 0.186 364 HB2 ASP 46 2HB ASP 46 -0.414 -7.411 -0.082 365 HB3 ASP 46 3HB ASP 46 0.348 -6.362 1.110 366 H THR 47 H THR 47 2.412 -7.518 2.393 367 HA THR 47 HA THR 47 1.562 -10.275 2.894 368 HB THR 47 HB THR 47 3.971 -10.384 2.373 369 HG1 THR 47 HG1 THR 47 4.369 -11.714 4.052 370 HG21 THR 47 3HG2 THR 47 4.644 -8.948 4.888 371 HG22 THR 47 1HG2 THR 47 4.253 -7.980 3.467 372 HG23 THR 47 2HG2 THR 47 5.585 -9.136 3.408 373 H TYR 48 H TYR 48 1.153 -7.223 3.695 374 HA TYR 48 HA TYR 48 1.442 -7.319 6.554 375 HB2 TYR 48 2HB TYR 48 0.579 -5.336 4.545 376 HB3 TYR 48 3HB TYR 48 -0.194 -5.193 6.120 377 HD1 TYR 48 HD1 TYR 48 1.479 -5.291 8.171 378 HD2 TYR 48 HD2 TYR 48 2.576 -4.228 4.200 379 HE1 TYR 48 HE1 TYR 48 3.456 -4.113 9.039 380 HE2 TYR 48 HE2 TYR 48 4.557 -3.048 5.057 381 HH TYR 48 HH TYR 48 5.384 -3.102 8.496 382 H ASN 49 H ASN 49 -1.243 -7.519 4.253 383 HA ASN 49 HA ASN 49 -3.089 -8.120 6.442 384 HB2 ASN 49 2HB ASN 49 -3.358 -6.712 4.021 385 HB3 ASN 49 3HB ASN 49 -4.307 -8.183 3.827 386 HD21 ASN 49 2HD2 ASN 49 -6.340 -5.447 5.356 387 HD22 ASN 49 1HD2 ASN 49 -5.337 -5.553 3.953 388 H ASN 50 H ASN 50 -0.947 -9.865 4.909 389 HA ASN 50 HA ASN 50 -0.680 -12.098 4.548 390 HB2 ASN 50 2HB ASN 50 -1.721 -13.093 6.274 391 HB3 ASN 50 3HB ASN 50 -3.053 -11.942 6.233 392 HD21 ASN 50 2HD2 ASN 50 -5.168 -13.957 4.292 393 HD22 ASN 50 1HD2 ASN 50 -4.805 -12.345 4.798 394 H ALA 51 H ALA 51 -2.592 -10.140 2.865 395 HA ALA 51 HA ALA 51 -4.095 -11.913 1.228 396 HB1 ALA 51 1HB ALA 51 -4.989 -10.001 0.552 397 HB2 ALA 51 2HB ALA 51 -3.789 -9.117 1.497 398 HB3 ALA 51 3HB ALA 51 -3.460 -9.523 -0.187 399 H VAL 52 H VAL 52 -3.637 -12.798 -0.752 400 HA VAL 52 HA VAL 52 -0.830 -13.139 -1.371 401 HB VAL 52 HB VAL 52 -3.140 -14.262 -2.944 402 HG11 VAL 52 1HG1 VAL 52 -1.351 -16.148 -3.121 403 HG12 VAL 52 2HG1 VAL 52 -1.208 -14.706 -4.128 404 HG13 VAL 52 3HG1 VAL 52 -0.227 -14.867 -2.670 405 HG21 VAL 52 3HG2 VAL 52 -3.590 -14.866 -0.673 406 HG22 VAL 52 1HG2 VAL 52 -2.917 -16.278 -1.487 407 HG23 VAL 52 2HG2 VAL 52 -1.907 -15.319 -0.404 408 H ASP 53 H ASP 53 0.035 -12.848 -3.523 409 HA ASP 53 HA ASP 53 -0.872 -10.359 -4.697 410 HB2 ASP 53 2HB ASP 53 1.366 -11.887 -5.919 411 HB3 ASP 53 3HB ASP 53 1.227 -10.162 -5.588 412 H CYS 54 H CYS 54 -2.731 -10.745 -5.828 413 HA CYS 54 HA CYS 54 -2.442 -12.000 -8.394 414 HB2 CYS 54 2HB CYS 54 -3.918 -13.347 -6.191 415 HB3 CYS 54 3HB CYS 54 -4.664 -13.366 -7.786 416 H ASP 55 H ASP 55 -3.516 -10.779 -9.788 417 HA ASP 55 HA ASP 55 -6.166 -10.000 -9.629 418 HB2 ASP 55 2HB ASP 55 -4.429 -8.336 -8.032 419 HB3 ASP 55 3HB ASP 55 -5.163 -7.393 -9.326 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.361 1.657 -0.255 2 HA ALA 1 HA ALA 1 1.688 -0.289 -1.898 3 HB1 ALA 1 1HB ALA 1 3.629 1.924 -2.425 4 HB2 ALA 1 2HB ALA 1 2.555 1.084 -3.545 5 HB3 ALA 1 3HB ALA 1 1.895 2.247 -2.395 6 H LYS 2 H LYS 2 3.120 -1.786 -2.675 7 HA LYS 2 HA LYS 2 5.726 -1.933 -1.304 8 HB2 LYS 2 2HB LYS 2 3.610 -3.932 -1.701 9 HB3 LYS 2 3HB LYS 2 5.223 -4.505 -2.107 10 HG2 LYS 2 2HG LYS 2 4.674 -5.027 0.195 11 HG3 LYS 2 3HG LYS 2 6.010 -3.876 0.118 12 HD2 LYS 2 2HD LYS 2 4.557 -3.112 1.830 13 HD3 LYS 2 3HD LYS 2 4.300 -2.049 0.444 14 HE2 LYS 2 2HE LYS 2 2.574 -4.448 0.654 15 HE3 LYS 2 3HE LYS 2 2.292 -3.151 1.815 16 HZ1 LYS 2 3HZ LYS 2 1.070 -3.145 -0.455 17 HZ2 LYS 2 1HZ LYS 2 2.522 -2.506 -1.044 18 HZ3 LYS 2 2HZ LYS 2 1.673 -1.694 0.173 19 H TYR 3 H TYR 3 4.312 -3.695 -4.048 20 HA TYR 3 HA TYR 3 6.284 -2.514 -5.845 21 HB2 TYR 3 2HB TYR 3 6.672 -5.051 -4.680 22 HB3 TYR 3 3HB TYR 3 6.180 -5.349 -6.343 23 HD1 TYR 3 HD1 TYR 3 7.570 -4.609 -8.205 24 HD2 TYR 3 HD2 TYR 3 8.775 -3.960 -4.177 25 HE1 TYR 3 HE1 TYR 3 9.853 -4.116 -8.974 26 HE2 TYR 3 HE2 TYR 3 11.062 -3.465 -4.935 27 HH TYR 3 HH TYR 3 12.492 -3.642 -6.709 28 H THR 4 H THR 4 5.861 -3.029 -8.118 29 HA THR 4 HA THR 4 2.981 -3.268 -8.586 30 HB THR 4 HB THR 4 4.950 -2.538 -10.726 31 HG1 THR 4 HG1 THR 4 4.758 -0.354 -10.018 32 HG21 THR 4 3HG2 THR 4 2.082 -2.523 -10.364 33 HG22 THR 4 1HG2 THR 4 3.026 -2.311 -11.837 34 HG23 THR 4 2HG2 THR 4 2.676 -0.923 -10.807 35 H GLY 5 H GLY 5 2.207 -5.185 -9.161 36 HA2 GLY 5 2HA GLY 5 3.905 -6.920 -10.847 37 HA3 GLY 5 3HA GLY 5 2.923 -7.559 -9.537 38 H LYS 6 H LYS 6 2.566 -8.685 -11.925 39 HA LYS 6 HA LYS 6 -0.116 -7.772 -12.655 40 HB2 LYS 6 2HB LYS 6 0.901 -8.613 -15.082 41 HB3 LYS 6 3HB LYS 6 0.630 -6.943 -14.599 42 HG2 LYS 6 2HG LYS 6 2.889 -6.653 -13.980 43 HG3 LYS 6 3HG LYS 6 3.209 -8.388 -14.062 44 HD2 LYS 6 2HD LYS 6 3.971 -7.984 -16.126 45 HD3 LYS 6 3HD LYS 6 2.275 -7.814 -16.585 46 HE2 LYS 6 2HE LYS 6 2.367 -5.502 -16.555 47 HE3 LYS 6 3HE LYS 6 3.761 -5.469 -15.477 48 HZ1 LYS 6 3HZ LYS 6 3.667 -5.606 -18.350 49 HZ2 LYS 6 1HZ LYS 6 4.725 -6.731 -17.659 50 HZ3 LYS 6 2HZ LYS 6 4.913 -5.083 -17.332 51 H CYS 7 H CYS 7 -1.527 -9.402 -12.824 52 HA CYS 7 HA CYS 7 -0.450 -12.139 -13.027 53 HB2 CYS 7 2HB CYS 7 -1.416 -12.529 -11.046 54 HB3 CYS 7 3HB CYS 7 -2.178 -10.942 -11.046 55 H THR 8 H THR 8 -1.485 -13.586 -14.359 56 HA THR 8 HA THR 8 -3.468 -12.414 -16.190 57 HB THR 8 HB THR 8 -1.502 -13.090 -17.383 58 HG1 THR 8 HG1 THR 8 -3.526 -13.639 -18.361 59 HG21 THR 8 3HG2 THR 8 -0.599 -15.340 -17.306 60 HG22 THR 8 1HG2 THR 8 -1.847 -15.830 -16.161 61 HG23 THR 8 2HG2 THR 8 -0.624 -14.654 -15.682 62 H LYS 9 H LYS 9 -5.491 -13.095 -16.016 63 HA LYS 9 HA LYS 9 -6.397 -15.014 -14.232 64 HB2 LYS 9 2HB LYS 9 -7.621 -13.163 -15.725 65 HB3 LYS 9 3HB LYS 9 -7.985 -14.575 -16.708 66 HG2 LYS 9 2HG LYS 9 -9.102 -15.640 -14.878 67 HG3 LYS 9 3HG LYS 9 -8.594 -14.365 -13.768 68 HD2 LYS 9 2HD LYS 9 -9.887 -12.743 -15.160 69 HD3 LYS 9 3HD LYS 9 -10.500 -14.111 -16.092 70 HE2 LYS 9 2HE LYS 9 -10.801 -14.499 -13.230 71 HE3 LYS 9 3HE LYS 9 -11.619 -13.043 -13.795 72 HZ1 LYS 9 3HZ LYS 9 -12.029 -15.355 -15.469 73 HZ2 LYS 9 1HZ LYS 9 -13.150 -14.235 -14.876 74 HZ3 LYS 9 2HZ LYS 9 -12.650 -15.525 -13.904 75 H SER 10 H SER 10 -5.046 -15.411 -17.372 76 HA SER 10 HA SER 10 -6.184 -17.859 -18.129 77 HB2 SER 10 2HB SER 10 -3.338 -17.071 -18.743 78 HB3 SER 10 3HB SER 10 -4.447 -18.021 -19.732 79 HG SER 10 HG SER 10 -4.425 -15.245 -19.254 80 H LYS 11 H LYS 11 -3.283 -17.139 -16.223 81 HA LYS 11 HA LYS 11 -3.080 -19.993 -15.541 82 HB2 LYS 11 2HB LYS 11 -1.114 -17.856 -15.974 83 HB3 LYS 11 3HB LYS 11 -0.808 -18.824 -14.538 84 HG2 LYS 11 2HG LYS 11 -0.063 -20.531 -15.744 85 HG3 LYS 11 3HG LYS 11 -1.465 -20.480 -16.815 86 HD2 LYS 11 2HD LYS 11 -0.425 -19.116 -18.334 87 HD3 LYS 11 3HD LYS 11 0.618 -18.376 -17.117 88 HE2 LYS 11 2HE LYS 11 1.910 -20.464 -16.984 89 HE3 LYS 11 3HE LYS 11 0.883 -21.167 -18.233 90 HZ1 LYS 11 3HZ LYS 11 3.178 -19.643 -18.582 91 HZ2 LYS 11 1HZ LYS 11 1.889 -18.692 -19.126 92 HZ3 LYS 11 2HZ LYS 11 2.138 -20.232 -19.778 93 H ASN 12 H ASN 12 -4.344 -17.194 -14.369 94 HA ASN 12 HA ASN 12 -4.960 -16.420 -12.316 95 HB2 ASN 12 2HB ASN 12 -5.603 -19.124 -12.475 96 HB3 ASN 12 3HB ASN 12 -4.826 -18.960 -10.903 97 HD21 ASN 12 2HD2 ASN 12 -7.888 -18.036 -9.596 98 HD22 ASN 12 1HD2 ASN 12 -6.544 -19.121 -9.590 99 H GLU 13 H GLU 13 -2.197 -16.268 -12.816 100 HA GLU 13 HA GLU 13 -1.188 -16.401 -10.067 101 HB2 GLU 13 2HB GLU 13 0.668 -17.618 -10.557 102 HB3 GLU 13 3HB GLU 13 -0.379 -18.264 -11.813 103 HG2 GLU 13 2HG GLU 13 1.484 -15.947 -12.244 104 HG3 GLU 13 3HG GLU 13 1.928 -17.625 -12.546 105 H CYS 14 H CYS 14 0.711 -15.004 -9.718 106 HA CYS 14 HA CYS 14 0.759 -12.724 -11.584 107 HB2 CYS 14 2HB CYS 14 -0.457 -12.406 -9.319 108 HB3 CYS 14 3HB CYS 14 1.160 -12.404 -8.621 109 H LYS 15 H LYS 15 2.738 -11.428 -11.490 110 HA LYS 15 HA LYS 15 5.078 -12.910 -10.509 111 HB2 LYS 15 2HB LYS 15 4.941 -11.578 -13.218 112 HB3 LYS 15 3HB LYS 15 6.281 -12.511 -12.565 113 HG2 LYS 15 2HG LYS 15 5.407 -14.196 -13.740 114 HG3 LYS 15 3HG LYS 15 4.248 -14.310 -12.414 115 HD2 LYS 15 2HD LYS 15 2.697 -14.072 -14.019 116 HD3 LYS 15 3HD LYS 15 3.132 -12.362 -13.966 117 HE2 LYS 15 2HE LYS 15 4.436 -12.503 -15.874 118 HE3 LYS 15 3HE LYS 15 4.669 -14.243 -15.709 119 HZ1 LYS 15 3HZ LYS 15 2.146 -14.340 -16.123 120 HZ2 LYS 15 1HZ LYS 15 3.175 -14.076 -17.441 121 HZ3 LYS 15 2HZ LYS 15 2.334 -12.780 -16.752 122 H TYR 16 H TYR 16 6.723 -11.677 -9.708 123 HA TYR 16 HA TYR 16 6.670 -8.788 -10.083 124 HB2 TYR 16 2HB TYR 16 6.574 -8.246 -7.768 125 HB3 TYR 16 3HB TYR 16 5.244 -9.359 -8.069 126 HD1 TYR 16 HD1 TYR 16 8.420 -8.862 -6.355 127 HD2 TYR 16 HD2 TYR 16 5.346 -11.669 -7.235 128 HE1 TYR 16 HE1 TYR 16 9.246 -10.322 -4.556 129 HE2 TYR 16 HE2 TYR 16 6.163 -13.136 -5.438 130 HH TYR 16 HH TYR 16 9.174 -12.642 -3.889 131 H LYS 17 H LYS 17 8.623 -7.733 -9.329 132 HA LYS 17 HA LYS 17 10.935 -9.478 -9.632 133 HB2 LYS 17 2HB LYS 17 10.407 -7.049 -10.682 134 HB3 LYS 17 3HB LYS 17 11.304 -6.563 -9.249 135 HG2 LYS 17 2HG LYS 17 13.149 -8.056 -9.949 136 HG3 LYS 17 3HG LYS 17 12.256 -8.407 -11.431 137 HD2 LYS 17 2HD LYS 17 13.784 -6.711 -12.010 138 HD3 LYS 17 3HD LYS 17 12.231 -5.893 -11.825 139 HE2 LYS 17 2HE LYS 17 13.796 -6.050 -9.359 140 HE3 LYS 17 3HE LYS 17 14.580 -5.132 -10.644 141 HZ1 LYS 17 3HZ LYS 17 12.558 -4.276 -8.955 142 HZ2 LYS 17 1HZ LYS 17 11.852 -4.424 -10.485 143 HZ3 LYS 17 2HZ LYS 17 13.216 -3.446 -10.274 144 H ASN 18 H ASN 18 12.296 -10.018 -8.038 145 HA ASN 18 HA ASN 18 11.939 -8.701 -5.426 146 HB2 ASN 18 2HB ASN 18 12.906 -10.991 -4.591 147 HB3 ASN 18 3HB ASN 18 11.199 -10.856 -5.003 148 HD21 ASN 18 2HD2 ASN 18 13.557 -13.450 -6.908 149 HD22 ASN 18 1HD2 ASN 18 14.049 -12.530 -5.532 150 H SER 19 H SER 19 14.001 -9.400 -3.997 151 HA SER 19 HA SER 19 16.151 -7.907 -5.008 152 HB2 SER 19 2HB SER 19 15.454 -9.095 -2.546 153 HB3 SER 19 3HB SER 19 17.041 -9.738 -2.968 154 HG SER 19 HG SER 19 16.269 -7.031 -2.672 155 H ALA 20 H ALA 20 15.522 -11.367 -4.956 156 HA ALA 20 HA ALA 20 18.053 -12.294 -5.698 157 HB1 ALA 20 1HB ALA 20 17.082 -14.330 -5.890 158 HB2 ALA 20 2HB ALA 20 15.764 -13.511 -5.052 159 HB3 ALA 20 3HB ALA 20 15.705 -13.712 -6.803 160 H GLY 21 H GLY 21 15.385 -11.049 -7.639 161 HA2 GLY 21 2HA GLY 21 15.707 -9.945 -9.711 162 HA3 GLY 21 3HA GLY 21 17.235 -10.794 -9.897 163 H LYS 22 H LYS 22 15.637 -13.292 -9.008 164 HA LYS 22 HA LYS 22 15.017 -14.136 -11.699 165 HB2 LYS 22 2HB LYS 22 14.703 -15.679 -9.120 166 HB3 LYS 22 3HB LYS 22 14.736 -16.343 -10.748 167 HG2 LYS 22 2HG LYS 22 17.037 -15.850 -11.001 168 HG3 LYS 22 3HG LYS 22 17.052 -14.855 -9.543 169 HD2 LYS 22 2HD LYS 22 16.136 -17.268 -8.612 170 HD3 LYS 22 3HD LYS 22 17.301 -17.752 -9.846 171 HE2 LYS 22 2HE LYS 22 19.074 -16.869 -8.713 172 HE3 LYS 22 3HE LYS 22 18.102 -15.607 -7.956 173 HZ1 LYS 22 3HZ LYS 22 18.995 -17.631 -6.584 174 HZ2 LYS 22 1HZ LYS 22 17.607 -18.390 -7.186 175 HZ3 LYS 22 2HZ LYS 22 17.468 -16.976 -6.268 176 H ASP 23 H ASP 23 13.083 -14.015 -12.612 177 HA ASP 23 HA ASP 23 10.830 -12.903 -11.471 178 HB2 ASP 23 2HB ASP 23 9.603 -14.208 -13.361 179 HB3 ASP 23 3HB ASP 23 10.788 -12.980 -13.796 180 H THR 24 H THR 24 9.225 -13.595 -10.198 181 HA THR 24 HA THR 24 9.100 -16.478 -9.587 182 HB THR 24 HB THR 24 9.918 -15.418 -7.624 183 HG1 THR 24 HG1 THR 24 8.142 -16.888 -7.301 184 HG21 THR 24 3HG2 THR 24 9.306 -13.103 -8.269 185 HG22 THR 24 1HG2 THR 24 8.902 -13.478 -6.594 186 HG23 THR 24 2HG2 THR 24 7.636 -13.450 -7.822 187 H PHE 25 H PHE 25 7.253 -17.427 -10.118 188 HA PHE 25 HA PHE 25 4.837 -15.758 -10.360 189 HB2 PHE 25 2HB PHE 25 4.063 -17.471 -12.029 190 HB3 PHE 25 3HB PHE 25 5.462 -16.533 -12.541 191 HD1 PHE 25 HD1 PHE 25 4.187 -19.817 -11.737 192 HD2 PHE 25 HD2 PHE 25 7.712 -17.562 -12.515 193 HE1 PHE 25 HE1 PHE 25 5.424 -21.902 -12.153 194 HE2 PHE 25 HE2 PHE 25 8.955 -19.643 -12.934 195 HZ PHE 25 HZ PHE 25 7.811 -21.817 -12.753 196 H ILE 26 H ILE 26 3.291 -16.188 -8.943 197 HA ILE 26 HA ILE 26 3.136 -18.904 -7.807 198 HB ILE 26 HB ILE 26 3.950 -17.377 -6.105 199 HG12 ILE 26 2HG1 ILE 26 1.212 -17.563 -5.100 200 HG13 ILE 26 3HG1 ILE 26 1.756 -19.049 -5.870 201 HG21 ILE 26 1HG2 ILE 26 2.943 -15.337 -7.187 202 HG22 ILE 26 2HG2 ILE 26 1.417 -15.788 -6.430 203 HG23 ILE 26 3HG2 ILE 26 2.817 -15.407 -5.429 204 HD11 ILE 26 3HD1 ILE 26 2.131 -18.695 -3.335 205 HD12 ILE 26 1HD1 ILE 26 3.416 -19.400 -4.315 206 HD13 ILE 26 2HD1 ILE 26 3.490 -17.698 -3.855 207 H LYS 27 H LYS 27 1.273 -19.916 -8.129 208 HA LYS 27 HA LYS 27 -0.946 -18.502 -9.331 209 HB2 LYS 27 2HB LYS 27 -0.511 -21.414 -8.657 210 HB3 LYS 27 3HB LYS 27 -1.974 -20.799 -9.415 211 HG2 LYS 27 2HG LYS 27 -0.855 -20.240 -11.390 212 HG3 LYS 27 3HG LYS 27 0.731 -20.333 -10.621 213 HD2 LYS 27 2HD LYS 27 0.684 -22.679 -10.558 214 HD3 LYS 27 3HD LYS 27 -1.056 -22.738 -10.848 215 HE2 LYS 27 2HE LYS 27 0.053 -21.364 -13.029 216 HE3 LYS 27 3HE LYS 27 1.111 -22.743 -12.736 217 HZ1 LYS 27 3HZ LYS 27 -0.405 -23.798 -13.991 218 HZ2 LYS 27 1HZ LYS 27 -1.634 -22.682 -13.670 219 HZ3 LYS 27 2HZ LYS 27 -1.280 -23.896 -12.547 220 H CYS 28 H CYS 28 -3.031 -18.340 -8.490 221 HA CYS 28 HA CYS 28 -3.237 -18.800 -5.585 222 HB2 CYS 28 2HB CYS 28 -4.707 -16.661 -7.128 223 HB3 CYS 28 3HB CYS 28 -4.574 -16.829 -5.381 224 HA PRO 29 HA PRO 29 -6.700 -21.390 -6.388 225 HB2 PRO 29 2HB PRO 29 -7.996 -21.155 -4.013 226 HB3 PRO 29 3HB PRO 29 -6.503 -22.082 -4.206 227 HG2 PRO 29 2HG PRO 29 -6.886 -19.306 -3.153 228 HG3 PRO 29 3HG PRO 29 -5.850 -20.605 -2.533 229 HD2 PRO 29 2HD PRO 29 -4.890 -18.565 -4.033 230 HD3 PRO 29 3HD PRO 29 -4.198 -20.199 -4.088 231 H LYS 30 H LYS 30 -9.245 -21.184 -5.479 232 HA LYS 30 HA LYS 30 -10.193 -18.713 -6.765 233 HB2 LYS 30 2HB LYS 30 -11.369 -21.477 -6.575 234 HB3 LYS 30 3HB LYS 30 -12.359 -20.086 -6.998 235 HG2 LYS 30 2HG LYS 30 -11.530 -19.969 -9.076 236 HG3 LYS 30 3HG LYS 30 -9.886 -20.339 -8.551 237 HD2 LYS 30 2HD LYS 30 -12.071 -22.407 -8.701 238 HD3 LYS 30 3HD LYS 30 -10.982 -22.057 -10.045 239 HE2 LYS 30 2HE LYS 30 -10.175 -22.990 -7.291 240 HE3 LYS 30 3HE LYS 30 -10.195 -23.971 -8.756 241 HZ1 LYS 30 3HZ LYS 30 -7.983 -23.291 -8.452 242 HZ2 LYS 30 1HZ LYS 30 -8.418 -21.690 -8.119 243 HZ3 LYS 30 2HZ LYS 30 -8.579 -22.301 -9.688 244 H PHE 31 H PHE 31 -9.548 -19.568 -3.816 245 HA PHE 31 HA PHE 31 -12.097 -19.079 -2.528 246 HB2 PHE 31 2HB PHE 31 -9.942 -20.527 -1.768 247 HB3 PHE 31 3HB PHE 31 -9.613 -19.019 -0.920 248 HD1 PHE 31 HD1 PHE 31 -10.280 -19.011 1.264 249 HD2 PHE 31 HD2 PHE 31 -12.616 -21.138 -1.588 250 HE1 PHE 31 HE1 PHE 31 -11.846 -19.669 3.043 251 HE2 PHE 31 HE2 PHE 31 -14.187 -21.799 0.187 252 HZ PHE 31 HZ PHE 31 -13.804 -21.064 2.506 253 H ASP 32 H ASP 32 -12.097 -17.434 -0.684 254 HA ASP 32 HA ASP 32 -11.877 -14.864 -1.730 255 HB2 ASP 32 2HB ASP 32 -12.407 -16.036 0.928 256 HB3 ASP 32 3HB ASP 32 -11.801 -14.382 0.944 257 H ASN 33 H ASN 33 -10.497 -13.092 -1.094 258 HA ASN 33 HA ASN 33 -8.439 -12.125 -0.977 259 HB2 ASN 33 2HB ASN 33 -8.821 -12.795 1.416 260 HB3 ASN 33 3HB ASN 33 -7.874 -14.246 1.101 261 HD21 ASN 33 2HD2 ASN 33 -5.264 -12.301 2.411 262 HD22 ASN 33 1HD2 ASN 33 -6.455 -13.502 2.760 263 H LYS 34 H LYS 34 -8.860 -14.533 -2.739 264 HA LYS 34 HA LYS 34 -6.054 -14.887 -3.428 265 HB2 LYS 34 2HB LYS 34 -7.898 -17.115 -2.627 266 HB3 LYS 34 3HB LYS 34 -6.609 -17.407 -3.788 267 HG2 LYS 34 2HG LYS 34 -5.221 -17.729 -2.099 268 HG3 LYS 34 3HG LYS 34 -5.431 -16.038 -1.640 269 HD2 LYS 34 2HD LYS 34 -6.950 -16.531 0.003 270 HD3 LYS 34 3HD LYS 34 -7.509 -17.998 -0.804 271 HE2 LYS 34 2HE LYS 34 -6.042 -19.271 0.296 272 HE3 LYS 34 3HE LYS 34 -4.714 -18.160 -0.036 273 HZ1 LYS 34 3HZ LYS 34 -6.226 -18.493 2.351 274 HZ2 LYS 34 1HZ LYS 34 -6.271 -16.884 1.829 275 HZ3 LYS 34 2HZ LYS 34 -4.785 -17.641 2.105 276 H LYS 35 H LYS 35 -8.195 -13.427 -4.634 277 HA LYS 35 HA LYS 35 -8.990 -14.988 -6.960 278 HB2 LYS 35 2HB LYS 35 -10.504 -13.282 -7.454 279 HB3 LYS 35 3HB LYS 35 -10.477 -13.298 -5.695 280 HG2 LYS 35 2HG LYS 35 -8.911 -11.407 -5.717 281 HG3 LYS 35 3HG LYS 35 -8.994 -11.377 -7.480 282 HD2 LYS 35 2HD LYS 35 -10.566 -9.789 -6.980 283 HD3 LYS 35 3HD LYS 35 -11.587 -11.229 -7.010 284 HE2 LYS 35 2HE LYS 35 -11.502 -11.400 -4.612 285 HE3 LYS 35 3HE LYS 35 -10.330 -10.086 -4.519 286 HZ1 LYS 35 3HZ LYS 35 -12.090 -8.658 -5.566 287 HZ2 LYS 35 1HZ LYS 35 -12.414 -9.167 -3.985 288 HZ3 LYS 35 2HZ LYS 35 -13.185 -9.918 -5.290 289 H CYS 36 H CYS 36 -8.554 -14.294 -9.124 290 HA CYS 36 HA CYS 36 -6.123 -12.645 -9.373 291 HB2 CYS 36 2HB CYS 36 -6.161 -15.308 -9.828 292 HB3 CYS 36 3HB CYS 36 -6.617 -14.723 -11.425 293 H THR 37 H THR 37 -6.097 -11.115 -10.938 294 HA THR 37 HA THR 37 -8.343 -11.036 -12.834 295 HB THR 37 HB THR 37 -7.417 -8.405 -11.880 296 HG1 THR 37 HG1 THR 37 -8.788 -8.628 -9.973 297 HG21 THR 37 3HG2 THR 37 -9.653 -9.541 -13.195 298 HG22 THR 37 1HG2 THR 37 -9.348 -7.842 -12.836 299 HG23 THR 37 2HG2 THR 37 -10.231 -8.842 -11.683 300 H LYS 38 H LYS 38 -7.784 -8.816 -14.237 301 HA LYS 38 HA LYS 38 -5.881 -9.545 -16.066 302 HB2 LYS 38 2HB LYS 38 -7.578 -7.353 -15.688 303 HB3 LYS 38 3HB LYS 38 -5.970 -6.657 -15.833 304 HG2 LYS 38 2HG LYS 38 -5.648 -7.752 -17.963 305 HG3 LYS 38 3HG LYS 38 -7.208 -8.564 -17.809 306 HD2 LYS 38 2HD LYS 38 -6.935 -5.568 -17.787 307 HD3 LYS 38 3HD LYS 38 -7.136 -6.490 -19.279 308 HE2 LYS 38 2HE LYS 38 -9.166 -7.533 -17.976 309 HE3 LYS 38 3HE LYS 38 -9.055 -6.043 -17.040 310 HZ1 LYS 38 3HZ LYS 38 -10.122 -6.448 -19.638 311 HZ2 LYS 38 1HZ LYS 38 -8.902 -5.278 -19.681 312 HZ3 LYS 38 2HZ LYS 38 -10.223 -5.084 -18.643 313 H ASP 39 H ASP 39 -3.789 -8.590 -16.603 314 HA ASP 39 HA ASP 39 -1.972 -8.746 -14.457 315 HB2 ASP 39 2HB ASP 39 -0.391 -7.674 -16.250 316 HB3 ASP 39 3HB ASP 39 -1.007 -9.307 -16.487 317 H ASN 40 H ASN 40 -2.864 -5.930 -16.460 318 HA ASN 40 HA ASN 40 -1.615 -4.117 -14.594 319 HB2 ASN 40 2HB ASN 40 -3.391 -3.333 -16.900 320 HB3 ASN 40 3HB ASN 40 -2.091 -2.404 -16.159 321 HD21 ASN 40 2HD2 ASN 40 0.322 -4.846 -17.638 322 HD22 ASN 40 1HD2 ASN 40 -0.195 -4.504 -16.026 323 H ASN 41 H ASN 41 -4.500 -5.719 -14.626 324 HA ASN 41 HA ASN 41 -6.470 -3.900 -14.006 325 HB2 ASN 41 2HB ASN 41 -7.005 -6.233 -14.254 326 HB3 ASN 41 3HB ASN 41 -5.994 -6.664 -12.878 327 HD21 ASN 41 2HD2 ASN 41 -8.468 -6.170 -10.524 328 HD22 ASN 41 1HD2 ASN 41 -6.866 -6.694 -10.908 329 H LYS 42 H LYS 42 -5.240 -5.839 -11.335 330 HA LYS 42 HA LYS 42 -4.376 -3.514 -9.847 331 HB2 LYS 42 2HB LYS 42 -6.878 -5.032 -9.161 332 HB3 LYS 42 3HB LYS 42 -5.945 -4.217 -7.914 333 HG2 LYS 42 2HG LYS 42 -6.162 -2.187 -9.603 334 HG3 LYS 42 3HG LYS 42 -7.600 -3.085 -10.095 335 HD2 LYS 42 2HD LYS 42 -8.667 -2.725 -8.119 336 HD3 LYS 42 3HD LYS 42 -7.169 -2.721 -7.186 337 HE2 LYS 42 2HE LYS 42 -6.640 -0.493 -8.069 338 HE3 LYS 42 3HE LYS 42 -8.151 -0.500 -8.977 339 HZ1 LYS 42 3HZ LYS 42 -7.773 -0.377 -6.048 340 HZ2 LYS 42 1HZ LYS 42 -9.252 -0.840 -6.728 341 HZ3 LYS 42 2HZ LYS 42 -8.617 0.695 -7.048 342 H CYS 43 H CYS 43 -3.079 -5.869 -10.785 343 HA CYS 43 HA CYS 43 -2.779 -7.683 -8.567 344 HB2 CYS 43 2HB CYS 43 -2.525 -8.626 -10.747 345 HB3 CYS 43 3HB CYS 43 -1.347 -7.402 -11.209 346 H THR 44 H THR 44 -1.408 -7.505 -6.922 347 HA THR 44 HA THR 44 1.067 -6.009 -7.202 348 HB THR 44 HB THR 44 0.135 -5.073 -4.751 349 HG1 THR 44 HG1 THR 44 -1.892 -4.882 -6.748 350 HG21 THR 44 3HG2 THR 44 0.866 -3.134 -5.607 351 HG22 THR 44 1HG2 THR 44 -0.263 -3.209 -6.959 352 HG23 THR 44 2HG2 THR 44 1.277 -4.063 -7.048 353 H VAL 45 H VAL 45 2.466 -6.238 -5.277 354 HA VAL 45 HA VAL 45 2.025 -8.856 -4.013 355 HB VAL 45 HB VAL 45 4.059 -8.791 -5.301 356 HG11 VAL 45 1HG1 VAL 45 5.655 -6.938 -3.846 357 HG12 VAL 45 2HG1 VAL 45 5.236 -6.927 -5.560 358 HG13 VAL 45 3HG1 VAL 45 4.195 -6.114 -4.391 359 HG21 VAL 45 3HG2 VAL 45 3.944 -9.821 -2.923 360 HG22 VAL 45 1HG2 VAL 45 5.509 -9.666 -3.720 361 HG23 VAL 45 2HG2 VAL 45 5.030 -8.502 -2.485 362 H ASP 46 H ASP 46 1.342 -8.803 -1.985 363 HA ASP 46 HA ASP 46 2.491 -6.832 -0.147 364 HB2 ASP 46 2HB ASP 46 -0.466 -7.456 -0.241 365 HB3 ASP 46 3HB ASP 46 0.338 -6.298 0.815 366 H THR 47 H THR 47 2.708 -7.523 1.967 367 HA THR 47 HA THR 47 1.909 -10.303 2.521 368 HB THR 47 HB THR 47 4.297 -10.297 2.040 369 HG1 THR 47 HG1 THR 47 4.936 -11.290 3.963 370 HG21 THR 47 3HG2 THR 47 4.918 -8.039 2.495 371 HG22 THR 47 1HG2 THR 47 5.828 -9.059 3.608 372 HG23 THR 47 2HG2 THR 47 4.414 -8.174 4.179 373 H TYR 48 H TYR 48 1.697 -7.117 3.427 374 HA TYR 48 HA TYR 48 1.695 -7.461 6.281 375 HB2 TYR 48 2HB TYR 48 0.987 -5.203 4.430 376 HB3 TYR 48 3HB TYR 48 0.600 -5.112 6.145 377 HD1 TYR 48 HD1 TYR 48 2.662 -5.749 7.729 378 HD2 TYR 48 HD2 TYR 48 2.990 -4.292 3.745 379 HE1 TYR 48 HE1 TYR 48 4.946 -4.973 8.207 380 HE2 TYR 48 HE2 TYR 48 5.275 -3.512 4.212 381 HH TYR 48 HH TYR 48 6.515 -2.814 6.666 382 H ASN 49 H ASN 49 -0.715 -7.310 3.719 383 HA ASN 49 HA ASN 49 -2.892 -7.550 5.640 384 HB2 ASN 49 2HB ASN 49 -2.743 -6.235 3.271 385 HB3 ASN 49 3HB ASN 49 -3.480 -7.747 2.749 386 HD21 ASN 49 2HD2 ASN 49 -6.604 -6.651 3.672 387 HD22 ASN 49 1HD2 ASN 49 -5.577 -7.492 2.565 388 H ASN 50 H ASN 50 -0.801 -9.685 4.882 389 HA ASN 50 HA ASN 50 -0.706 -11.933 4.496 390 HB2 ASN 50 2HB ASN 50 -2.326 -13.248 5.710 391 HB3 ASN 50 3HB ASN 50 -1.958 -11.807 6.653 392 HD21 ASN 50 2HD2 ASN 50 -5.663 -12.368 5.052 393 HD22 ASN 50 1HD2 ASN 50 -4.305 -13.287 4.506 394 H ALA 51 H ALA 51 -2.007 -10.200 2.422 395 HA ALA 51 HA ALA 51 -3.813 -12.129 1.152 396 HB1 ALA 51 1HB ALA 51 -3.203 -9.281 0.369 397 HB2 ALA 51 2HB ALA 51 -4.428 -10.325 -0.353 398 HB3 ALA 51 3HB ALA 51 -4.589 -9.808 1.325 399 H VAL 52 H VAL 52 -3.425 -12.982 -0.880 400 HA VAL 52 HA VAL 52 -0.644 -13.202 -1.614 401 HB VAL 52 HB VAL 52 -2.968 -14.346 -3.151 402 HG11 VAL 52 1HG1 VAL 52 -0.939 -14.593 -4.331 403 HG12 VAL 52 2HG1 VAL 52 -0.056 -15.046 -2.872 404 HG13 VAL 52 3HG1 VAL 52 -1.241 -16.153 -3.566 405 HG21 VAL 52 3HG2 VAL 52 -1.682 -15.368 -0.629 406 HG22 VAL 52 1HG2 VAL 52 -3.390 -15.054 -0.933 407 HG23 VAL 52 2HG2 VAL 52 -2.587 -16.405 -1.732 408 H ASP 53 H ASP 53 0.145 -12.848 -3.789 409 HA ASP 53 HA ASP 53 -0.834 -10.346 -4.867 410 HB2 ASP 53 2HB ASP 53 1.349 -11.802 -6.248 411 HB3 ASP 53 3HB ASP 53 1.228 -10.100 -5.809 412 H CYS 54 H CYS 54 -2.736 -10.711 -5.930 413 HA CYS 54 HA CYS 54 -2.556 -11.879 -8.541 414 HB2 CYS 54 2HB CYS 54 -3.866 -13.351 -6.320 415 HB3 CYS 54 3HB CYS 54 -4.724 -13.312 -7.858 416 H ASP 55 H ASP 55 -3.677 -10.569 -9.808 417 HA ASP 55 HA ASP 55 -6.348 -9.888 -9.528 418 HB2 ASP 55 2HB ASP 55 -4.539 -8.185 -7.979 419 HB3 ASP 55 3HB ASP 55 -5.560 -7.281 -9.094 Start of MODEL 10 1 H1 ALA 1 H ALA 1 -0.730 -0.770 -0.122 2 HA ALA 1 HA ALA 1 -0.361 -2.335 -2.555 3 HB1 ALA 1 1HB ALA 1 1.036 -0.120 -3.261 4 HB2 ALA 1 2HB ALA 1 -0.596 -0.492 -3.817 5 HB3 ALA 1 3HB ALA 1 -0.356 0.598 -2.451 6 H LYS 2 H LYS 2 2.001 -2.376 -3.190 7 HA LYS 2 HA LYS 2 3.945 -1.719 -1.189 8 HB2 LYS 2 2HB LYS 2 2.681 -4.327 -1.137 9 HB3 LYS 2 3HB LYS 2 4.413 -4.466 -1.412 10 HG2 LYS 2 2HG LYS 2 3.162 -2.923 0.850 11 HG3 LYS 2 3HG LYS 2 3.774 -4.574 0.972 12 HD2 LYS 2 2HD LYS 2 5.482 -2.283 0.032 13 HD3 LYS 2 3HD LYS 2 5.331 -2.714 1.737 14 HE2 LYS 2 2HE LYS 2 7.108 -4.026 1.285 15 HE3 LYS 2 3HE LYS 2 5.875 -5.132 0.682 16 HZ1 LYS 2 3HZ LYS 2 6.917 -3.146 -1.186 17 HZ2 LYS 2 1HZ LYS 2 6.443 -4.747 -1.461 18 HZ3 LYS 2 2HZ LYS 2 7.948 -4.420 -0.764 19 H TYR 3 H TYR 3 3.625 -4.300 -3.630 20 HA TYR 3 HA TYR 3 5.896 -3.085 -5.062 21 HB2 TYR 3 2HB TYR 3 5.570 -5.748 -4.020 22 HB3 TYR 3 3HB TYR 3 5.738 -5.810 -5.771 23 HD1 TYR 3 HD1 TYR 3 7.693 -4.234 -6.701 24 HD2 TYR 3 HD2 TYR 3 7.501 -5.843 -2.767 25 HE1 TYR 3 HE1 TYR 3 10.129 -3.971 -6.481 26 HE2 TYR 3 HE2 TYR 3 9.936 -5.583 -2.535 27 HH TYR 3 HH TYR 3 11.767 -4.507 -3.441 28 H THR 4 H THR 4 5.944 -3.449 -7.379 29 HA THR 4 HA THR 4 3.252 -3.349 -8.507 30 HB THR 4 HB THR 4 4.829 -2.843 -10.633 31 HG1 THR 4 HG1 THR 4 6.779 -2.250 -10.059 32 HG21 THR 4 3HG2 THR 4 4.664 -0.452 -9.009 33 HG22 THR 4 1HG2 THR 4 3.172 -1.389 -8.931 34 HG23 THR 4 2HG2 THR 4 3.803 -0.863 -10.492 35 H GLY 5 H GLY 5 2.381 -5.105 -9.379 36 HA2 GLY 5 2HA GLY 5 4.082 -6.929 -10.916 37 HA3 GLY 5 3HA GLY 5 3.160 -7.603 -9.580 38 H LYS 6 H LYS 6 2.743 -8.636 -12.031 39 HA LYS 6 HA LYS 6 0.019 -7.726 -12.616 40 HB2 LYS 6 2HB LYS 6 1.043 -8.576 -15.080 41 HB3 LYS 6 3HB LYS 6 0.615 -6.934 -14.617 42 HG2 LYS 6 2HG LYS 6 3.313 -8.054 -13.972 43 HG3 LYS 6 3HG LYS 6 2.960 -7.384 -15.566 44 HD2 LYS 6 2HD LYS 6 2.034 -5.632 -13.461 45 HD3 LYS 6 3HD LYS 6 3.756 -5.982 -13.292 46 HE2 LYS 6 2HE LYS 6 4.301 -4.879 -15.190 47 HE3 LYS 6 3HE LYS 6 2.823 -5.363 -16.021 48 HZ1 LYS 6 3HZ LYS 6 2.915 -3.305 -13.885 49 HZ2 LYS 6 1HZ LYS 6 1.604 -3.682 -14.887 50 HZ3 LYS 6 2HZ LYS 6 2.983 -2.950 -15.538 51 H CYS 7 H CYS 7 -1.407 -9.347 -12.789 52 HA CYS 7 HA CYS 7 -0.345 -12.086 -13.033 53 HB2 CYS 7 2HB CYS 7 -1.292 -12.478 -11.042 54 HB3 CYS 7 3HB CYS 7 -2.062 -10.895 -11.035 55 H THR 8 H THR 8 -1.390 -13.516 -14.372 56 HA THR 8 HA THR 8 -3.386 -12.325 -16.175 57 HB THR 8 HB THR 8 -1.382 -13.014 -17.345 58 HG1 THR 8 HG1 THR 8 -3.642 -13.546 -18.148 59 HG21 THR 8 3HG2 THR 8 -1.381 -15.140 -15.490 60 HG22 THR 8 1HG2 THR 8 -0.188 -14.795 -16.741 61 HG23 THR 8 2HG2 THR 8 -1.549 -15.861 -17.090 62 H LYS 9 H LYS 9 -5.409 -12.998 -15.979 63 HA LYS 9 HA LYS 9 -6.298 -14.940 -14.210 64 HB2 LYS 9 2HB LYS 9 -7.467 -13.129 -16.009 65 HB3 LYS 9 3HB LYS 9 -8.100 -14.707 -16.456 66 HG2 LYS 9 2HG LYS 9 -8.099 -13.965 -13.581 67 HG3 LYS 9 3HG LYS 9 -9.280 -13.199 -14.647 68 HD2 LYS 9 2HD LYS 9 -9.557 -15.757 -15.423 69 HD3 LYS 9 3HD LYS 9 -9.068 -16.006 -13.746 70 HE2 LYS 9 2HE LYS 9 -10.959 -15.028 -12.907 71 HE3 LYS 9 3HE LYS 9 -11.170 -13.980 -14.308 72 HZ1 LYS 9 3HZ LYS 9 -11.763 -16.885 -14.162 73 HZ2 LYS 9 1HZ LYS 9 -11.839 -15.967 -15.581 74 HZ3 LYS 9 2HZ LYS 9 -12.885 -15.626 -14.296 75 H SER 10 H SER 10 -4.980 -15.297 -17.364 76 HA SER 10 HA SER 10 -6.144 -17.714 -18.166 77 HB2 SER 10 2HB SER 10 -3.313 -16.818 -18.743 78 HB3 SER 10 3HB SER 10 -4.291 -17.929 -19.700 79 HG SER 10 HG SER 10 -4.105 -15.441 -20.150 80 H LYS 11 H LYS 11 -3.254 -17.070 -16.222 81 HA LYS 11 HA LYS 11 -3.075 -19.941 -15.613 82 HB2 LYS 11 2HB LYS 11 -1.109 -18.028 -16.277 83 HB3 LYS 11 3HB LYS 11 -0.867 -18.414 -14.578 84 HG2 LYS 11 2HG LYS 11 0.367 -20.100 -15.375 85 HG3 LYS 11 3HG LYS 11 -1.191 -20.891 -15.628 86 HD2 LYS 11 2HD LYS 11 -1.061 -20.704 -17.870 87 HD3 LYS 11 3HD LYS 11 -0.340 -19.094 -17.795 88 HE2 LYS 11 2HE LYS 11 1.715 -20.511 -16.855 89 HE3 LYS 11 3HE LYS 11 0.951 -21.763 -17.834 90 HZ1 LYS 11 3HZ LYS 11 1.793 -19.084 -18.803 91 HZ2 LYS 11 1HZ LYS 11 1.056 -20.284 -19.742 92 HZ3 LYS 11 2HZ LYS 11 2.600 -20.541 -19.100 93 H ASN 12 H ASN 12 -4.042 -16.967 -14.333 94 HA ASN 12 HA ASN 12 -4.806 -16.327 -12.289 95 HB2 ASN 12 2HB ASN 12 -5.405 -19.050 -12.481 96 HB3 ASN 12 3HB ASN 12 -4.662 -18.868 -10.895 97 HD21 ASN 12 2HD2 ASN 12 -7.779 -18.013 -9.664 98 HD22 ASN 12 1HD2 ASN 12 -6.422 -19.083 -9.636 99 H GLU 13 H GLU 13 -2.057 -16.120 -12.781 100 HA GLU 13 HA GLU 13 -1.048 -16.262 -10.037 101 HB2 GLU 13 2HB GLU 13 1.091 -17.145 -10.729 102 HB3 GLU 13 3HB GLU 13 -0.180 -18.241 -11.253 103 HG2 GLU 13 2HG GLU 13 -0.038 -16.950 -13.489 104 HG3 GLU 13 3HG GLU 13 1.530 -16.417 -12.885 105 H CYS 14 H CYS 14 0.728 -14.805 -9.615 106 HA CYS 14 HA CYS 14 0.853 -12.575 -11.539 107 HB2 CYS 14 2HB CYS 14 -0.385 -12.240 -9.282 108 HB3 CYS 14 3HB CYS 14 1.229 -12.210 -8.580 109 H LYS 15 H LYS 15 2.832 -11.283 -11.445 110 HA LYS 15 HA LYS 15 5.158 -12.728 -10.389 111 HB2 LYS 15 2HB LYS 15 5.041 -11.538 -13.164 112 HB3 LYS 15 3HB LYS 15 6.389 -12.414 -12.450 113 HG2 LYS 15 2HG LYS 15 5.527 -14.131 -13.614 114 HG3 LYS 15 3HG LYS 15 4.462 -14.270 -12.213 115 HD2 LYS 15 2HD LYS 15 2.766 -14.083 -13.653 116 HD3 LYS 15 3HD LYS 15 3.212 -12.381 -13.796 117 HE2 LYS 15 2HE LYS 15 4.755 -14.260 -15.463 118 HE3 LYS 15 3HE LYS 15 3.052 -14.082 -15.885 119 HZ1 LYS 15 3HZ LYS 15 4.475 -12.512 -17.076 120 HZ2 LYS 15 1HZ LYS 15 4.982 -11.842 -15.608 121 HZ3 LYS 15 2HZ LYS 15 3.364 -11.712 -16.083 122 H TYR 16 H TYR 16 6.851 -11.453 -9.712 123 HA TYR 16 HA TYR 16 6.740 -8.578 -10.176 124 HB2 TYR 16 2HB TYR 16 6.745 -7.976 -7.861 125 HB3 TYR 16 3HB TYR 16 5.390 -9.071 -8.108 126 HD1 TYR 16 HD1 TYR 16 5.341 -11.241 -7.074 127 HD2 TYR 16 HD2 TYR 16 8.745 -8.725 -6.644 128 HE1 TYR 16 HE1 TYR 16 6.178 -12.692 -5.272 129 HE2 TYR 16 HE2 TYR 16 9.592 -10.169 -4.841 130 HH TYR 16 HH TYR 16 8.213 -13.244 -4.148 131 H LYS 17 H LYS 17 8.702 -7.473 -9.549 132 HA LYS 17 HA LYS 17 11.029 -9.170 -9.909 133 HB2 LYS 17 2HB LYS 17 10.502 -6.841 -11.016 134 HB3 LYS 17 3HB LYS 17 11.200 -6.207 -9.532 135 HG2 LYS 17 2HG LYS 17 13.298 -7.088 -9.991 136 HG3 LYS 17 3HG LYS 17 12.660 -8.254 -11.153 137 HD2 LYS 17 2HD LYS 17 12.251 -6.544 -12.762 138 HD3 LYS 17 3HD LYS 17 12.579 -5.272 -11.582 139 HE2 LYS 17 2HE LYS 17 14.915 -6.085 -11.428 140 HE3 LYS 17 3HE LYS 17 14.560 -7.254 -12.699 141 HZ1 LYS 17 3HZ LYS 17 15.037 -4.408 -12.890 142 HZ2 LYS 17 1HZ LYS 17 13.743 -4.968 -13.826 143 HZ3 LYS 17 2HZ LYS 17 15.286 -5.628 -14.036 144 H ASN 18 H ASN 18 11.776 -10.132 -8.125 145 HA ASN 18 HA ASN 18 11.571 -8.887 -5.530 146 HB2 ASN 18 2HB ASN 18 12.132 -10.940 -4.647 147 HB3 ASN 18 3HB ASN 18 11.462 -11.442 -6.196 148 HD21 ASN 18 2HD2 ASN 18 14.828 -11.916 -7.569 149 HD22 ASN 18 1HD2 ASN 18 13.428 -10.977 -7.948 150 H SER 19 H SER 19 13.787 -9.413 -4.177 151 HA SER 19 HA SER 19 15.595 -7.401 -5.054 152 HB2 SER 19 2HB SER 19 15.089 -8.835 -2.649 153 HB3 SER 19 3HB SER 19 16.799 -9.031 -3.036 154 HG SER 19 HG SER 19 15.699 -6.965 -1.913 155 H ALA 20 H ALA 20 15.653 -10.923 -5.058 156 HA ALA 20 HA ALA 20 18.322 -11.341 -5.741 157 HB1 ALA 20 1HB ALA 20 17.750 -13.522 -6.127 158 HB2 ALA 20 2HB ALA 20 16.363 -13.003 -5.169 159 HB3 ALA 20 3HB ALA 20 16.234 -13.100 -6.925 160 H GLY 21 H GLY 21 15.709 -10.099 -7.622 161 HA2 GLY 21 2HA GLY 21 16.017 -8.927 -9.649 162 HA3 GLY 21 3HA GLY 21 17.527 -9.793 -9.894 163 H LYS 22 H LYS 22 15.882 -12.299 -9.110 164 HA LYS 22 HA LYS 22 15.224 -12.999 -11.834 165 HB2 LYS 22 2HB LYS 22 16.366 -14.499 -10.076 166 HB3 LYS 22 3HB LYS 22 14.751 -14.732 -9.419 167 HG2 LYS 22 2HG LYS 22 14.089 -15.450 -11.780 168 HG3 LYS 22 3HG LYS 22 15.823 -15.563 -12.092 169 HD2 LYS 22 2HD LYS 22 15.045 -16.861 -9.607 170 HD3 LYS 22 3HD LYS 22 14.223 -17.541 -11.014 171 HE2 LYS 22 2HE LYS 22 17.051 -17.059 -11.492 172 HE3 LYS 22 3HE LYS 22 16.772 -18.161 -10.144 173 HZ1 LYS 22 3HZ LYS 22 15.792 -18.457 -12.929 174 HZ2 LYS 22 1HZ LYS 22 15.295 -19.445 -11.649 175 HZ3 LYS 22 2HZ LYS 22 16.916 -19.436 -12.130 176 H ASP 23 H ASP 23 13.187 -13.839 -12.514 177 HA ASP 23 HA ASP 23 10.960 -12.395 -11.374 178 HB2 ASP 23 2HB ASP 23 10.983 -14.337 -13.693 179 HB3 ASP 23 3HB ASP 23 9.702 -13.195 -13.292 180 H THR 24 H THR 24 9.418 -13.180 -10.080 181 HA THR 24 HA THR 24 9.365 -16.090 -9.605 182 HB THR 24 HB THR 24 10.263 -14.965 -7.649 183 HG1 THR 24 HG1 THR 24 8.306 -15.485 -6.207 184 HG21 THR 24 3HG2 THR 24 9.150 -13.233 -6.478 185 HG22 THR 24 1HG2 THR 24 7.678 -13.435 -7.427 186 HG23 THR 24 2HG2 THR 24 9.125 -12.758 -8.176 187 H PHE 25 H PHE 25 7.496 -17.069 -10.012 188 HA PHE 25 HA PHE 25 5.072 -15.409 -10.229 189 HB2 PHE 25 2HB PHE 25 4.234 -17.052 -11.845 190 HB3 PHE 25 3HB PHE 25 5.774 -16.382 -12.371 191 HD1 PHE 25 HD1 PHE 25 3.997 -19.360 -11.322 192 HD2 PHE 25 HD2 PHE 25 7.821 -17.739 -12.251 193 HE1 PHE 25 HE1 PHE 25 4.904 -21.636 -11.543 194 HE2 PHE 25 HE2 PHE 25 8.734 -20.012 -12.475 195 HZ PHE 25 HZ PHE 25 7.276 -21.965 -12.122 196 H ILE 26 H ILE 26 3.210 -16.055 -9.227 197 HA ILE 26 HA ILE 26 3.243 -18.585 -7.743 198 HB ILE 26 HB ILE 26 3.944 -16.918 -6.127 199 HG12 ILE 26 2HG1 ILE 26 2.174 -17.222 -4.453 200 HG13 ILE 26 3HG1 ILE 26 1.040 -17.673 -5.722 201 HG21 ILE 26 1HG2 ILE 26 2.291 -15.204 -7.561 202 HG22 ILE 26 2HG2 ILE 26 1.515 -15.362 -5.987 203 HG23 ILE 26 3HG2 ILE 26 3.191 -14.825 -6.093 204 HD11 ILE 26 3HD1 ILE 26 2.359 -19.452 -4.247 205 HD12 ILE 26 1HD1 ILE 26 1.883 -19.757 -5.917 206 HD13 ILE 26 2HD1 ILE 26 3.531 -19.247 -5.549 207 H LYS 27 H LYS 27 1.427 -19.691 -8.031 208 HA LYS 27 HA LYS 27 -0.819 -18.434 -9.367 209 HB2 LYS 27 2HB LYS 27 -1.658 -20.646 -9.708 210 HB3 LYS 27 3HB LYS 27 0.072 -20.688 -10.020 211 HG2 LYS 27 2HG LYS 27 -0.127 -21.300 -7.333 212 HG3 LYS 27 3HG LYS 27 -1.499 -22.135 -8.065 213 HD2 LYS 27 2HD LYS 27 0.221 -22.931 -9.822 214 HD3 LYS 27 3HD LYS 27 1.429 -22.456 -8.626 215 HE2 LYS 27 2HE LYS 27 -0.808 -24.440 -8.227 216 HE3 LYS 27 3HE LYS 27 0.903 -24.819 -8.417 217 HZ1 LYS 27 3HZ LYS 27 0.634 -24.870 -6.148 218 HZ2 LYS 27 1HZ LYS 27 -0.481 -23.598 -6.126 219 HZ3 LYS 27 2HZ LYS 27 1.161 -23.279 -6.375 220 H CYS 28 H CYS 28 -2.903 -18.278 -8.566 221 HA CYS 28 HA CYS 28 -3.176 -18.700 -5.661 222 HB2 CYS 28 2HB CYS 28 -4.661 -16.619 -7.266 223 HB3 CYS 28 3HB CYS 28 -4.545 -16.751 -5.514 224 HA PRO 29 HA PRO 29 -6.536 -21.400 -6.556 225 HB2 PRO 29 2HB PRO 29 -7.833 -21.267 -4.174 226 HB3 PRO 29 3HB PRO 29 -6.314 -22.144 -4.393 227 HG2 PRO 29 2HG PRO 29 -6.776 -19.410 -3.266 228 HG3 PRO 29 3HG PRO 29 -5.701 -20.694 -2.682 229 HD2 PRO 29 2HD PRO 29 -4.804 -18.588 -4.129 230 HD3 PRO 29 3HD PRO 29 -4.064 -20.199 -4.228 231 H LYS 30 H LYS 30 -9.084 -21.288 -5.628 232 HA LYS 30 HA LYS 30 -10.107 -18.818 -6.858 233 HB2 LYS 30 2HB LYS 30 -11.197 -21.619 -6.721 234 HB3 LYS 30 3HB LYS 30 -12.238 -20.251 -7.095 235 HG2 LYS 30 2HG LYS 30 -10.372 -19.760 -8.889 236 HG3 LYS 30 3HG LYS 30 -10.076 -21.491 -8.709 237 HD2 LYS 30 2HD LYS 30 -11.764 -21.859 -10.111 238 HD3 LYS 30 3HD LYS 30 -12.858 -21.212 -8.886 239 HE2 LYS 30 2HE LYS 30 -11.411 -19.240 -10.547 240 HE3 LYS 30 3HE LYS 30 -12.646 -20.199 -11.361 241 HZ1 LYS 30 3HZ LYS 30 -14.305 -19.253 -10.163 242 HZ2 LYS 30 1HZ LYS 30 -13.215 -17.959 -10.126 243 HZ3 LYS 30 2HZ LYS 30 -13.346 -18.993 -8.794 244 H PHE 31 H PHE 31 -9.420 -19.712 -3.930 245 HA PHE 31 HA PHE 31 -11.972 -19.319 -2.617 246 HB2 PHE 31 2HB PHE 31 -9.782 -20.725 -1.896 247 HB3 PHE 31 3HB PHE 31 -9.472 -19.222 -1.032 248 HD1 PHE 31 HD1 PHE 31 -12.425 -21.414 -1.687 249 HD2 PHE 31 HD2 PHE 31 -10.129 -19.232 1.156 250 HE1 PHE 31 HE1 PHE 31 -13.961 -22.130 0.098 251 HE2 PHE 31 HE2 PHE 31 -11.660 -19.944 2.945 252 HZ PHE 31 HZ PHE 31 -13.578 -21.396 2.417 253 H ASP 32 H ASP 32 -12.047 -17.699 -0.774 254 HA ASP 32 HA ASP 32 -11.885 -15.110 -1.767 255 HB2 ASP 32 2HB ASP 32 -12.280 -16.300 0.934 256 HB3 ASP 32 3HB ASP 32 -11.900 -14.582 0.848 257 H ASN 33 H ASN 33 -10.554 -13.313 -1.111 258 HA ASN 33 HA ASN 33 -8.524 -12.291 -0.972 259 HB2 ASN 33 2HB ASN 33 -8.898 -13.007 1.411 260 HB3 ASN 33 3HB ASN 33 -7.903 -14.422 1.080 261 HD21 ASN 33 2HD2 ASN 33 -5.326 -12.453 2.391 262 HD22 ASN 33 1HD2 ASN 33 -6.456 -13.724 2.695 263 H LYS 34 H LYS 34 -8.875 -14.705 -2.753 264 HA LYS 34 HA LYS 34 -6.051 -14.982 -3.424 265 HB2 LYS 34 2HB LYS 34 -7.855 -17.223 -2.617 266 HB3 LYS 34 3HB LYS 34 -6.662 -17.513 -3.877 267 HG2 LYS 34 2HG LYS 34 -4.935 -17.473 -2.438 268 HG3 LYS 34 3HG LYS 34 -5.646 -16.191 -1.454 269 HD2 LYS 34 2HD LYS 34 -7.302 -18.441 -1.137 270 HD3 LYS 34 3HD LYS 34 -5.642 -19.029 -1.018 271 HE2 LYS 34 2HE LYS 34 -5.397 -16.882 0.522 272 HE3 LYS 34 3HE LYS 34 -7.129 -17.141 0.730 273 HZ1 LYS 34 3HZ LYS 34 -6.497 -19.522 1.272 274 HZ2 LYS 34 1HZ LYS 34 -6.123 -18.351 2.434 275 HZ3 LYS 34 2HZ LYS 34 -4.908 -18.963 1.429 276 H LYS 35 H LYS 35 -8.203 -13.523 -4.623 277 HA LYS 35 HA LYS 35 -8.947 -15.033 -6.997 278 HB2 LYS 35 2HB LYS 35 -10.510 -13.386 -7.425 279 HB3 LYS 35 3HB LYS 35 -10.413 -13.317 -5.671 280 HG2 LYS 35 2HG LYS 35 -8.926 -11.494 -7.551 281 HG3 LYS 35 3HG LYS 35 -10.435 -11.095 -6.726 282 HD2 LYS 35 2HD LYS 35 -9.064 -11.780 -4.587 283 HD3 LYS 35 3HD LYS 35 -7.683 -11.404 -5.620 284 HE2 LYS 35 2HE LYS 35 -8.972 -9.209 -6.114 285 HE3 LYS 35 3HE LYS 35 -9.868 -9.603 -4.648 286 HZ1 LYS 35 3HZ LYS 35 -7.937 -9.469 -3.356 287 HZ2 LYS 35 1HZ LYS 35 -7.849 -8.132 -4.388 288 HZ3 LYS 35 2HZ LYS 35 -6.912 -9.504 -4.701 289 H CYS 36 H CYS 36 -8.486 -14.287 -9.139 290 HA CYS 36 HA CYS 36 -6.072 -12.608 -9.320 291 HB2 CYS 36 2HB CYS 36 -6.054 -15.264 -9.807 292 HB3 CYS 36 3HB CYS 36 -6.496 -14.670 -11.405 293 H THR 37 H THR 37 -6.019 -11.082 -10.898 294 HA THR 37 HA THR 37 -8.263 -10.993 -12.798 295 HB THR 37 HB THR 37 -7.293 -8.377 -11.828 296 HG1 THR 37 HG1 THR 37 -8.470 -8.511 -9.903 297 HG21 THR 37 3HG2 THR 37 -10.116 -8.734 -11.700 298 HG22 THR 37 1HG2 THR 37 -9.531 -9.458 -13.197 299 HG23 THR 37 2HG2 THR 37 -9.181 -7.767 -12.839 300 H LYS 38 H LYS 38 -7.703 -8.827 -14.245 301 HA LYS 38 HA LYS 38 -5.782 -9.582 -16.046 302 HB2 LYS 38 2HB LYS 38 -7.504 -7.395 -15.727 303 HB3 LYS 38 3HB LYS 38 -5.900 -6.694 -15.899 304 HG2 LYS 38 2HG LYS 38 -6.409 -6.813 -18.088 305 HG3 LYS 38 3HG LYS 38 -5.817 -8.466 -17.904 306 HD2 LYS 38 2HD LYS 38 -7.840 -8.786 -18.984 307 HD3 LYS 38 3HD LYS 38 -8.284 -9.005 -17.289 308 HE2 LYS 38 2HE LYS 38 -8.638 -6.341 -17.552 309 HE3 LYS 38 3HE LYS 38 -9.016 -6.872 -19.189 310 HZ1 LYS 38 3HZ LYS 38 -10.708 -8.301 -18.367 311 HZ2 LYS 38 1HZ LYS 38 -10.951 -6.786 -17.654 312 HZ3 LYS 38 2HZ LYS 38 -10.253 -8.040 -16.759 313 H ASP 39 H ASP 39 -3.682 -8.712 -16.573 314 HA ASP 39 HA ASP 39 -1.909 -8.713 -14.379 315 HB2 ASP 39 2HB ASP 39 -0.312 -7.761 -16.268 316 HB3 ASP 39 3HB ASP 39 -0.850 -9.438 -16.285 317 H ASN 40 H ASN 40 -2.772 -6.074 -16.620 318 HA ASN 40 HA ASN 40 -1.503 -4.111 -14.933 319 HB2 ASN 40 2HB ASN 40 -3.023 -3.999 -17.525 320 HB3 ASN 40 3HB ASN 40 -2.633 -2.523 -16.647 321 HD21 ASN 40 2HD2 ASN 40 0.675 -4.678 -17.627 322 HD22 ASN 40 1HD2 ASN 40 -0.621 -5.382 -16.727 323 H ASN 41 H ASN 41 -4.425 -5.688 -14.842 324 HA ASN 41 HA ASN 41 -6.339 -3.780 -14.291 325 HB2 ASN 41 2HB ASN 41 -6.980 -6.082 -14.452 326 HB3 ASN 41 3HB ASN 41 -5.939 -6.529 -13.104 327 HD21 ASN 41 2HD2 ASN 41 -8.352 -5.988 -10.708 328 HD22 ASN 41 1HD2 ASN 41 -6.810 -6.628 -11.155 329 H LYS 42 H LYS 42 -5.247 -5.666 -11.537 330 HA LYS 42 HA LYS 42 -4.246 -3.336 -10.140 331 HB2 LYS 42 2HB LYS 42 -6.742 -4.774 -9.224 332 HB3 LYS 42 3HB LYS 42 -5.831 -3.639 -8.236 333 HG2 LYS 42 2HG LYS 42 -7.107 -2.956 -10.876 334 HG3 LYS 42 3HG LYS 42 -7.838 -2.656 -9.297 335 HD2 LYS 42 2HD LYS 42 -6.239 -1.052 -8.730 336 HD3 LYS 42 3HD LYS 42 -5.103 -1.616 -9.958 337 HE2 LYS 42 2HE LYS 42 -5.858 0.103 -11.177 338 HE3 LYS 42 3HE LYS 42 -7.273 -0.909 -11.463 339 HZ1 LYS 42 3HZ LYS 42 -7.347 0.614 -9.007 340 HZ2 LYS 42 1HZ LYS 42 -8.551 0.374 -10.171 341 HZ3 LYS 42 2HZ LYS 42 -7.363 1.553 -10.414 342 H CYS 43 H CYS 43 -3.055 -5.774 -10.964 343 HA CYS 43 HA CYS 43 -2.902 -7.562 -8.722 344 HB2 CYS 43 2HB CYS 43 -2.541 -8.582 -10.819 345 HB3 CYS 43 3HB CYS 43 -1.408 -7.334 -11.326 346 H THR 44 H THR 44 -1.605 -7.435 -7.012 347 HA THR 44 HA THR 44 0.912 -5.986 -7.163 348 HB THR 44 HB THR 44 -0.052 -5.052 -4.750 349 HG1 THR 44 HG1 THR 44 -2.192 -5.720 -5.608 350 HG21 THR 44 3HG2 THR 44 1.006 -3.344 -5.729 351 HG22 THR 44 1HG2 THR 44 -0.512 -2.987 -6.550 352 HG23 THR 44 2HG2 THR 44 0.703 -3.990 -7.342 353 H VAL 45 H VAL 45 2.265 -6.323 -5.255 354 HA VAL 45 HA VAL 45 1.657 -8.900 -3.970 355 HB VAL 45 HB VAL 45 4.333 -7.582 -4.452 356 HG11 VAL 45 1HG1 VAL 45 5.138 -8.870 -2.833 357 HG12 VAL 45 2HG1 VAL 45 3.545 -9.576 -2.556 358 HG13 VAL 45 3HG1 VAL 45 4.632 -10.290 -3.748 359 HG21 VAL 45 3HG2 VAL 45 3.739 -10.233 -5.579 360 HG22 VAL 45 1HG2 VAL 45 2.817 -8.897 -6.268 361 HG23 VAL 45 2HG2 VAL 45 4.580 -8.857 -6.293 362 H ASP 46 H ASP 46 1.120 -8.831 -1.900 363 HA ASP 46 HA ASP 46 2.409 -6.871 -0.146 364 HB2 ASP 46 2HB ASP 46 -0.577 -7.356 -0.238 365 HB3 ASP 46 3HB ASP 46 0.259 -6.348 0.940 366 H THR 47 H THR 47 2.539 -7.489 2.037 367 HA THR 47 HA THR 47 1.769 -10.274 2.608 368 HB THR 47 HB THR 47 3.921 -10.232 4.096 369 HG1 THR 47 HG1 THR 47 5.530 -8.976 2.669 370 HG21 THR 47 3HG2 THR 47 4.722 -10.433 1.268 371 HG22 THR 47 1HG2 THR 47 3.306 -11.381 1.719 372 HG23 THR 47 2HG2 THR 47 4.835 -11.621 2.566 373 H TYR 48 H TYR 48 1.466 -7.090 3.460 374 HA TYR 48 HA TYR 48 1.441 -7.374 6.319 375 HB2 TYR 48 2HB TYR 48 0.706 -5.186 4.402 376 HB3 TYR 48 3HB TYR 48 0.237 -5.069 6.094 377 HD1 TYR 48 HD1 TYR 48 2.470 -6.034 7.588 378 HD2 TYR 48 HD2 TYR 48 2.479 -3.771 3.984 379 HE1 TYR 48 HE1 TYR 48 4.700 -5.161 8.148 380 HE2 TYR 48 HE2 TYR 48 4.709 -2.893 4.535 381 HH TYR 48 HH TYR 48 6.659 -3.556 5.919 382 H ASN 49 H ASN 49 -0.953 -7.347 3.734 383 HA ASN 49 HA ASN 49 -3.130 -7.653 5.649 384 HB2 ASN 49 2HB ASN 49 -2.892 -6.868 2.824 385 HB3 ASN 49 3HB ASN 49 -4.284 -7.888 3.176 386 HD21 ASN 49 2HD2 ASN 49 -6.105 -5.165 4.221 387 HD22 ASN 49 1HD2 ASN 49 -6.003 -6.652 3.346 388 H ASN 50 H ASN 50 -0.966 -9.715 4.901 389 HA ASN 50 HA ASN 50 -0.793 -11.958 4.514 390 HB2 ASN 50 2HB ASN 50 -2.387 -13.329 5.708 391 HB3 ASN 50 3HB ASN 50 -2.060 -11.884 6.660 392 HD21 ASN 50 2HD2 ASN 50 -5.741 -12.527 5.036 393 HD22 ASN 50 1HD2 ASN 50 -4.358 -13.406 4.488 394 H ALA 51 H ALA 51 -2.133 -10.266 2.431 395 HA ALA 51 HA ALA 51 -3.857 -12.257 1.142 396 HB1 ALA 51 1HB ALA 51 -4.625 -10.510 -0.290 397 HB2 ALA 51 2HB ALA 51 -4.640 -9.893 1.363 398 HB3 ALA 51 3HB ALA 51 -3.348 -9.423 0.258 399 H VAL 52 H VAL 52 -3.434 -13.058 -0.913 400 HA VAL 52 HA VAL 52 -0.642 -13.208 -1.612 401 HB VAL 52 HB VAL 52 -1.440 -14.704 -3.450 402 HG11 VAL 52 1HG1 VAL 52 -1.501 -16.481 -2.050 403 HG12 VAL 52 2HG1 VAL 52 -1.075 -15.258 -0.851 404 HG13 VAL 52 3HG1 VAL 52 -2.753 -15.773 -1.030 405 HG21 VAL 52 3HG2 VAL 52 -4.051 -15.255 -2.553 406 HG22 VAL 52 1HG2 VAL 52 -3.948 -13.508 -2.767 407 HG23 VAL 52 2HG2 VAL 52 -3.559 -14.584 -4.108 408 H ASP 53 H ASP 53 0.164 -12.804 -3.781 409 HA ASP 53 HA ASP 53 -0.824 -10.281 -4.803 410 HB2 ASP 53 2HB ASP 53 1.366 -11.612 -6.255 411 HB3 ASP 53 3HB ASP 53 1.263 -9.970 -5.623 412 H CYS 54 H CYS 54 -2.694 -10.605 -5.919 413 HA CYS 54 HA CYS 54 -2.472 -11.736 -8.544 414 HB2 CYS 54 2HB CYS 54 -3.832 -13.231 -6.371 415 HB3 CYS 54 3HB CYS 54 -4.668 -13.157 -7.918 416 H ASP 55 H ASP 55 -3.583 -10.432 -9.829 417 HA ASP 55 HA ASP 55 -6.234 -9.734 -9.637 418 HB2 ASP 55 2HB ASP 55 -4.559 -8.146 -7.866 419 HB3 ASP 55 3HB ASP 55 -5.422 -7.143 -9.028 Start of MODEL 11 1 H1 ALA 1 H ALA 1 -0.168 1.044 -1.721 2 HA ALA 1 HA ALA 1 -0.184 -1.326 -3.475 3 HB1 ALA 1 1HB ALA 1 0.080 -0.062 -5.300 4 HB2 ALA 1 2HB ALA 1 -0.476 1.272 -4.289 5 HB3 ALA 1 3HB ALA 1 1.251 0.994 -4.511 6 H LYS 2 H LYS 2 1.312 -2.643 -2.613 7 HA LYS 2 HA LYS 2 3.696 -1.675 -1.352 8 HB2 LYS 2 2HB LYS 2 2.658 -3.740 -0.591 9 HB3 LYS 2 3HB LYS 2 2.870 -4.464 -2.179 10 HG2 LYS 2 2HG LYS 2 5.050 -4.925 -1.830 11 HG3 LYS 2 3HG LYS 2 5.317 -3.468 -0.869 12 HD2 LYS 2 2HD LYS 2 4.783 -4.496 1.079 13 HD3 LYS 2 3HD LYS 2 3.556 -5.518 0.326 14 HE2 LYS 2 2HE LYS 2 6.543 -5.897 0.129 15 HE3 LYS 2 3HE LYS 2 5.449 -6.835 1.146 16 HZ1 LYS 2 3HZ LYS 2 6.172 -7.430 -1.416 17 HZ2 LYS 2 1HZ LYS 2 4.616 -6.788 -1.588 18 HZ3 LYS 2 2HZ LYS 2 4.877 -8.109 -0.565 19 H TYR 3 H TYR 3 3.542 -4.093 -3.948 20 HA TYR 3 HA TYR 3 5.682 -2.619 -5.337 21 HB2 TYR 3 2HB TYR 3 5.754 -5.259 -4.231 22 HB3 TYR 3 3HB TYR 3 5.879 -5.376 -5.982 23 HD1 TYR 3 HD1 TYR 3 7.704 -4.085 -7.155 24 HD2 TYR 3 HD2 TYR 3 7.584 -4.543 -2.927 25 HE1 TYR 3 HE1 TYR 3 10.086 -3.486 -7.028 26 HE2 TYR 3 HE2 TYR 3 9.965 -3.945 -2.788 27 HH TYR 3 HH TYR 3 12.010 -4.113 -4.552 28 H THR 4 H THR 4 5.839 -3.091 -7.656 29 HA THR 4 HA THR 4 3.198 -3.155 -8.845 30 HB THR 4 HB THR 4 4.922 -2.991 -10.963 31 HG1 THR 4 HG1 THR 4 6.832 -2.605 -10.126 32 HG21 THR 4 3HG2 THR 4 4.203 -0.569 -9.336 33 HG22 THR 4 1HG2 THR 4 2.979 -1.498 -10.201 34 HG23 THR 4 2HG2 THR 4 4.296 -0.732 -11.089 35 H GLY 5 H GLY 5 2.278 -4.901 -9.697 36 HA2 GLY 5 2HA GLY 5 3.961 -6.992 -10.866 37 HA3 GLY 5 3HA GLY 5 2.887 -7.454 -9.554 38 H LYS 6 H LYS 6 2.611 -8.711 -11.929 39 HA LYS 6 HA LYS 6 -0.034 -7.807 -12.762 40 HB2 LYS 6 2HB LYS 6 1.058 -8.626 -15.165 41 HB3 LYS 6 3HB LYS 6 0.744 -6.964 -14.687 42 HG2 LYS 6 2HG LYS 6 2.988 -6.657 -13.969 43 HG3 LYS 6 3HG LYS 6 3.336 -8.381 -14.126 44 HD2 LYS 6 2HD LYS 6 4.272 -7.500 -16.056 45 HD3 LYS 6 3HD LYS 6 2.684 -8.032 -16.612 46 HE2 LYS 6 2HE LYS 6 1.847 -5.847 -16.669 47 HE3 LYS 6 3HE LYS 6 3.141 -5.229 -15.644 48 HZ1 LYS 6 3HZ LYS 6 3.354 -6.095 -18.473 49 HZ2 LYS 6 1HZ LYS 6 4.693 -5.745 -17.500 50 HZ3 LYS 6 2HZ LYS 6 3.568 -4.534 -17.858 51 H CYS 7 H CYS 7 -1.410 -9.460 -12.883 52 HA CYS 7 HA CYS 7 -0.296 -12.177 -13.147 53 HB2 CYS 7 2HB CYS 7 -1.311 -12.752 -11.241 54 HB3 CYS 7 3HB CYS 7 -1.820 -11.079 -11.031 55 H THR 8 H THR 8 -1.508 -13.703 -14.320 56 HA THR 8 HA THR 8 -3.457 -12.500 -16.173 57 HB THR 8 HB THR 8 -1.510 -13.265 -17.367 58 HG1 THR 8 HG1 THR 8 -3.475 -13.694 -18.413 59 HG21 THR 8 3HG2 THR 8 -1.629 -16.086 -17.007 60 HG22 THR 8 1HG2 THR 8 -1.500 -15.332 -15.419 61 HG23 THR 8 2HG2 THR 8 -0.293 -14.990 -16.658 62 H LYS 9 H LYS 9 -5.493 -13.102 -15.898 63 HA LYS 9 HA LYS 9 -6.398 -14.979 -14.071 64 HB2 LYS 9 2HB LYS 9 -7.818 -13.213 -15.007 65 HB3 LYS 9 3HB LYS 9 -7.781 -14.004 -16.577 66 HG2 LYS 9 2HG LYS 9 -9.086 -15.806 -15.818 67 HG3 LYS 9 3HG LYS 9 -8.851 -15.365 -14.125 68 HD2 LYS 9 2HD LYS 9 -11.082 -14.746 -14.842 69 HD3 LYS 9 3HD LYS 9 -10.132 -13.295 -14.513 70 HE2 LYS 9 2HE LYS 9 -9.921 -14.191 -17.276 71 HE3 LYS 9 3HE LYS 9 -11.577 -13.812 -16.804 72 HZ1 LYS 9 3HZ LYS 9 -11.117 -11.634 -16.616 73 HZ2 LYS 9 1HZ LYS 9 -9.830 -11.994 -17.654 74 HZ3 LYS 9 2HZ LYS 9 -9.567 -11.887 -15.987 75 H SER 10 H SER 10 -5.127 -15.454 -17.220 76 HA SER 10 HA SER 10 -6.387 -17.876 -17.912 77 HB2 SER 10 2HB SER 10 -3.634 -16.868 -18.672 78 HB3 SER 10 3HB SER 10 -4.493 -18.187 -19.467 79 HG SER 10 HG SER 10 -5.905 -16.781 -20.317 80 H LYS 11 H LYS 11 -3.366 -17.201 -16.183 81 HA LYS 11 HA LYS 11 -3.211 -20.047 -15.451 82 HB2 LYS 11 2HB LYS 11 -1.248 -18.222 -16.371 83 HB3 LYS 11 3HB LYS 11 -0.864 -18.587 -14.694 84 HG2 LYS 11 2HG LYS 11 -0.391 -20.768 -15.129 85 HG3 LYS 11 3HG LYS 11 -1.519 -20.859 -16.484 86 HD2 LYS 11 2HD LYS 11 -0.010 -19.717 -17.923 87 HD3 LYS 11 3HD LYS 11 1.041 -19.275 -16.576 88 HE2 LYS 11 2HE LYS 11 1.346 -21.786 -16.222 89 HE3 LYS 11 3HE LYS 11 0.622 -21.979 -17.818 90 HZ1 LYS 11 3HZ LYS 11 2.861 -21.902 -18.284 91 HZ2 LYS 11 1HZ LYS 11 3.197 -20.752 -17.089 92 HZ3 LYS 11 2HZ LYS 11 2.419 -20.286 -18.517 93 H ASN 12 H ASN 12 -4.208 -17.119 -14.271 94 HA ASN 12 HA ASN 12 -4.621 -16.263 -12.199 95 HB2 ASN 12 2HB ASN 12 -5.949 -18.413 -12.191 96 HB3 ASN 12 3HB ASN 12 -4.616 -19.150 -11.308 97 HD21 ASN 12 2HD2 ASN 12 -7.324 -17.785 -9.057 98 HD22 ASN 12 1HD2 ASN 12 -7.386 -18.719 -10.509 99 H GLU 13 H GLU 13 -2.051 -15.932 -12.681 100 HA GLU 13 HA GLU 13 -0.835 -16.297 -10.065 101 HB2 GLU 13 2HB GLU 13 1.175 -17.300 -10.848 102 HB3 GLU 13 3HB GLU 13 -0.150 -18.258 -11.494 103 HG2 GLU 13 2HG GLU 13 0.092 -16.815 -13.598 104 HG3 GLU 13 3HG GLU 13 1.650 -16.342 -12.924 105 H CYS 14 H CYS 14 0.466 -14.631 -9.485 106 HA CYS 14 HA CYS 14 0.882 -12.523 -11.500 107 HB2 CYS 14 2HB CYS 14 -0.609 -12.118 -9.417 108 HB3 CYS 14 3HB CYS 14 0.912 -12.044 -8.533 109 H LYS 15 H LYS 15 2.853 -11.389 -11.520 110 HA LYS 15 HA LYS 15 5.054 -12.668 -10.039 111 HB2 LYS 15 2HB LYS 15 5.278 -11.646 -12.870 112 HB3 LYS 15 3HB LYS 15 6.474 -12.564 -11.966 113 HG2 LYS 15 2HG LYS 15 5.619 -14.225 -13.256 114 HG3 LYS 15 3HG LYS 15 4.525 -14.343 -11.876 115 HD2 LYS 15 2HD LYS 15 2.868 -14.138 -13.362 116 HD3 LYS 15 3HD LYS 15 3.329 -12.438 -13.471 117 HE2 LYS 15 2HE LYS 15 5.016 -13.226 -15.243 118 HE3 LYS 15 3HE LYS 15 4.068 -14.712 -15.285 119 HZ1 LYS 15 3HZ LYS 15 2.531 -12.266 -15.482 120 HZ2 LYS 15 1HZ LYS 15 2.390 -13.708 -16.355 121 HZ3 LYS 15 2HZ LYS 15 3.558 -12.566 -16.792 122 H TYR 16 H TYR 16 6.793 -11.329 -9.461 123 HA TYR 16 HA TYR 16 6.594 -8.480 -10.035 124 HB2 TYR 16 2HB TYR 16 6.533 -7.779 -7.762 125 HB3 TYR 16 3HB TYR 16 5.252 -8.972 -7.943 126 HD1 TYR 16 HD1 TYR 16 8.333 -8.127 -6.256 127 HD2 TYR 16 HD2 TYR 16 5.601 -11.287 -7.063 128 HE1 TYR 16 HE1 TYR 16 9.278 -9.413 -4.384 129 HE2 TYR 16 HE2 TYR 16 6.537 -12.582 -5.193 130 HH TYR 16 HH TYR 16 9.034 -11.223 -3.085 131 H LYS 17 H LYS 17 8.510 -7.280 -9.294 132 HA LYS 17 HA LYS 17 10.897 -8.915 -9.632 133 HB2 LYS 17 2HB LYS 17 10.529 -6.828 -10.968 134 HB3 LYS 17 3HB LYS 17 10.672 -5.905 -9.478 135 HG2 LYS 17 2HG LYS 17 12.895 -5.994 -9.517 136 HG3 LYS 17 3HG LYS 17 12.904 -7.721 -9.883 137 HD2 LYS 17 2HD LYS 17 12.195 -6.958 -12.262 138 HD3 LYS 17 3HD LYS 17 12.816 -5.386 -11.756 139 HE2 LYS 17 2HE LYS 17 14.984 -6.133 -11.626 140 HE3 LYS 17 3HE LYS 17 14.503 -7.802 -11.321 141 HZ1 LYS 17 3HZ LYS 17 15.185 -7.982 -13.463 142 HZ2 LYS 17 1HZ LYS 17 14.793 -6.385 -13.861 143 HZ3 LYS 17 2HZ LYS 17 13.575 -7.554 -13.757 144 H ASN 18 H ASN 18 12.198 -9.475 -8.015 145 HA ASN 18 HA ASN 18 11.905 -8.067 -5.443 146 HB2 ASN 18 2HB ASN 18 12.931 -10.332 -4.583 147 HB3 ASN 18 3HB ASN 18 11.209 -10.212 -4.932 148 HD21 ASN 18 2HD2 ASN 18 13.506 -12.836 -6.874 149 HD22 ASN 18 1HD2 ASN 18 14.050 -11.879 -5.542 150 H SER 19 H SER 19 13.998 -8.682 -4.035 151 HA SER 19 HA SER 19 16.113 -7.205 -5.145 152 HB2 SER 19 2HB SER 19 15.470 -8.311 -2.621 153 HB3 SER 19 3HB SER 19 17.073 -8.915 -3.043 154 HG SER 19 HG SER 19 16.265 -6.374 -2.391 155 H ALA 20 H ALA 20 15.526 -10.666 -4.925 156 HA ALA 20 HA ALA 20 18.062 -11.587 -5.675 157 HB1 ALA 20 1HB ALA 20 15.660 -13.071 -6.600 158 HB2 ALA 20 2HB ALA 20 17.119 -13.660 -5.803 159 HB3 ALA 20 3HB ALA 20 15.875 -12.833 -4.865 160 H GLY 21 H GLY 21 15.371 -10.387 -7.583 161 HA2 GLY 21 2HA GLY 21 15.595 -9.431 -9.724 162 HA3 GLY 21 3HA GLY 21 17.137 -10.255 -9.906 163 H LYS 22 H LYS 22 15.628 -12.742 -8.860 164 HA LYS 22 HA LYS 22 14.986 -13.749 -11.481 165 HB2 LYS 22 2HB LYS 22 14.740 -15.102 -8.788 166 HB3 LYS 22 3HB LYS 22 14.671 -15.894 -10.357 167 HG2 LYS 22 2HG LYS 22 16.941 -15.614 -10.742 168 HG3 LYS 22 3HG LYS 22 17.082 -14.317 -9.553 169 HD2 LYS 22 2HD LYS 22 16.198 -16.441 -8.046 170 HD3 LYS 22 3HD LYS 22 17.281 -17.209 -9.209 171 HE2 LYS 22 2HE LYS 22 19.126 -16.140 -8.401 172 HE3 LYS 22 3HE LYS 22 18.216 -14.714 -7.904 173 HZ1 LYS 22 3HZ LYS 22 17.234 -16.598 -6.266 174 HZ2 LYS 22 1HZ LYS 22 18.501 -15.552 -5.864 175 HZ3 LYS 22 2HZ LYS 22 18.838 -17.113 -6.421 176 H ASP 23 H ASP 23 13.069 -13.463 -12.392 177 HA ASP 23 HA ASP 23 10.801 -12.430 -11.204 178 HB2 ASP 23 2HB ASP 23 9.595 -13.607 -13.184 179 HB3 ASP 23 3HB ASP 23 10.792 -12.363 -13.533 180 H THR 24 H THR 24 9.458 -13.200 -9.729 181 HA THR 24 HA THR 24 9.244 -16.119 -9.403 182 HB THR 24 HB THR 24 10.088 -15.202 -7.386 183 HG1 THR 24 HG1 THR 24 8.656 -16.463 -6.473 184 HG21 THR 24 3HG2 THR 24 7.857 -13.170 -7.516 185 HG22 THR 24 1HG2 THR 24 9.565 -12.851 -7.811 186 HG23 THR 24 2HG2 THR 24 9.023 -13.335 -6.204 187 H PHE 25 H PHE 25 7.389 -17.038 -9.960 188 HA PHE 25 HA PHE 25 4.982 -15.350 -10.128 189 HB2 PHE 25 2HB PHE 25 4.166 -16.849 -11.857 190 HB3 PHE 25 3HB PHE 25 5.770 -16.269 -12.292 191 HD1 PHE 25 HD1 PHE 25 7.710 -17.766 -12.153 192 HD2 PHE 25 HD2 PHE 25 3.754 -19.153 -11.420 193 HE1 PHE 25 HE1 PHE 25 8.477 -20.088 -12.426 194 HE2 PHE 25 HE2 PHE 25 4.515 -21.477 -11.691 195 HZ PHE 25 HZ PHE 25 6.879 -21.947 -12.194 196 H ILE 26 H ILE 26 3.302 -15.826 -8.867 197 HA ILE 26 HA ILE 26 3.232 -18.475 -7.577 198 HB ILE 26 HB ILE 26 3.883 -16.820 -5.926 199 HG12 ILE 26 2HG1 ILE 26 0.984 -17.613 -5.571 200 HG13 ILE 26 3HG1 ILE 26 2.365 -18.658 -5.254 201 HG21 ILE 26 1HG2 ILE 26 2.597 -14.886 -5.404 202 HG22 ILE 26 2HG2 ILE 26 2.858 -14.886 -7.147 203 HG23 ILE 26 3HG2 ILE 26 1.299 -15.382 -6.489 204 HD11 ILE 26 3HD1 ILE 26 2.424 -17.894 -3.185 205 HD12 ILE 26 1HD1 ILE 26 2.785 -16.283 -3.804 206 HD13 ILE 26 2HD1 ILE 26 1.111 -16.770 -3.537 207 H LYS 27 H LYS 27 1.433 -19.595 -7.912 208 HA LYS 27 HA LYS 27 -0.792 -18.354 -9.292 209 HB2 LYS 27 2HB LYS 27 -1.644 -20.606 -9.562 210 HB3 LYS 27 3HB LYS 27 0.064 -20.573 -9.979 211 HG2 LYS 27 2HG LYS 27 0.675 -21.655 -7.972 212 HG3 LYS 27 3HG LYS 27 -0.927 -21.415 -7.271 213 HD2 LYS 27 2HD LYS 27 -1.377 -22.792 -9.655 214 HD3 LYS 27 3HD LYS 27 0.049 -23.555 -8.948 215 HE2 LYS 27 2HE LYS 27 -1.127 -23.975 -6.896 216 HE3 LYS 27 3HE LYS 27 -2.519 -23.046 -7.452 217 HZ1 LYS 27 3HZ LYS 27 -1.541 -25.608 -8.592 218 HZ2 LYS 27 1HZ LYS 27 -2.815 -24.695 -9.230 219 HZ3 LYS 27 2HZ LYS 27 -2.954 -25.381 -7.690 220 H CYS 28 H CYS 28 -2.903 -18.226 -8.544 221 HA CYS 28 HA CYS 28 -3.233 -18.616 -5.641 222 HB2 CYS 28 2HB CYS 28 -4.809 -16.616 -7.243 223 HB3 CYS 28 3HB CYS 28 -4.541 -16.667 -5.504 224 HA PRO 29 HA PRO 29 -6.497 -21.414 -6.609 225 HB2 PRO 29 2HB PRO 29 -7.786 -21.371 -4.220 226 HB3 PRO 29 3HB PRO 29 -6.245 -22.202 -4.465 227 HG2 PRO 29 2HG PRO 29 -6.775 -19.508 -3.273 228 HG3 PRO 29 3HG PRO 29 -5.663 -20.776 -2.724 229 HD2 PRO 29 2HD PRO 29 -4.829 -18.614 -4.125 230 HD3 PRO 29 3HD PRO 29 -4.047 -20.201 -4.264 231 H LYS 30 H LYS 30 -9.043 -21.392 -5.668 232 HA LYS 30 HA LYS 30 -10.137 -18.930 -6.848 233 HB2 LYS 30 2HB LYS 30 -10.988 -21.782 -6.884 234 HB3 LYS 30 3HB LYS 30 -12.251 -20.558 -6.904 235 HG2 LYS 30 2HG LYS 30 -10.247 -19.847 -8.804 236 HG3 LYS 30 3HG LYS 30 -10.724 -21.527 -9.063 237 HD2 LYS 30 2HD LYS 30 -12.136 -20.065 -10.376 238 HD3 LYS 30 3HD LYS 30 -13.089 -20.818 -9.095 239 HE2 LYS 30 2HE LYS 30 -13.650 -18.467 -9.288 240 HE3 LYS 30 3HE LYS 30 -12.856 -18.779 -7.746 241 HZ1 LYS 30 3HZ LYS 30 -10.981 -18.087 -9.777 242 HZ2 LYS 30 1HZ LYS 30 -11.228 -17.382 -8.259 243 HZ3 LYS 30 2HZ LYS 30 -12.149 -16.879 -9.586 244 H PHE 31 H PHE 31 -9.401 -19.847 -3.937 245 HA PHE 31 HA PHE 31 -11.950 -19.516 -2.598 246 HB2 PHE 31 2HB PHE 31 -9.733 -20.902 -1.917 247 HB3 PHE 31 3HB PHE 31 -9.441 -19.411 -1.029 248 HD1 PHE 31 HD1 PHE 31 -12.358 -21.644 -1.704 249 HD2 PHE 31 HD2 PHE 31 -10.089 -19.464 1.161 250 HE1 PHE 31 HE1 PHE 31 -13.872 -22.416 0.076 251 HE2 PHE 31 HE2 PHE 31 -11.598 -20.233 2.946 252 HZ PHE 31 HZ PHE 31 -13.492 -21.711 2.405 253 H ASP 32 H ASP 32 -11.829 -17.970 -0.592 254 HA ASP 32 HA ASP 32 -11.830 -15.345 -1.557 255 HB2 ASP 32 2HB ASP 32 -12.028 -16.613 1.128 256 HB3 ASP 32 3HB ASP 32 -11.665 -14.890 1.073 257 H ASN 33 H ASN 33 -10.491 -13.538 -0.948 258 HA ASN 33 HA ASN 33 -8.476 -12.477 -0.922 259 HB2 ASN 33 2HB ASN 33 -8.669 -13.258 1.462 260 HB3 ASN 33 3HB ASN 33 -7.677 -14.646 1.027 261 HD21 ASN 33 2HD2 ASN 33 -5.261 -12.393 2.402 262 HD22 ASN 33 1HD2 ASN 33 -6.482 -13.520 2.875 263 H LYS 34 H LYS 34 -8.904 -14.850 -2.739 264 HA LYS 34 HA LYS 34 -6.109 -15.095 -3.561 265 HB2 LYS 34 2HB LYS 34 -7.988 -17.430 -3.173 266 HB3 LYS 34 3HB LYS 34 -6.460 -17.529 -4.040 267 HG2 LYS 34 2HG LYS 34 -6.738 -16.718 -1.154 268 HG3 LYS 34 3HG LYS 34 -6.332 -18.343 -1.712 269 HD2 LYS 34 2HD LYS 34 -4.473 -16.973 -3.049 270 HD3 LYS 34 3HD LYS 34 -4.695 -15.869 -1.690 271 HE2 LYS 34 2HE LYS 34 -3.834 -17.337 -0.180 272 HE3 LYS 34 3HE LYS 34 -4.411 -18.750 -1.061 273 HZ1 LYS 34 3HZ LYS 34 -1.941 -17.213 -1.429 274 HZ2 LYS 34 1HZ LYS 34 -2.629 -17.967 -2.778 275 HZ3 LYS 34 2HZ LYS 34 -2.178 -18.888 -1.434 276 H LYS 35 H LYS 35 -8.304 -13.532 -4.570 277 HA LYS 35 HA LYS 35 -9.158 -14.864 -7.008 278 HB2 LYS 35 2HB LYS 35 -10.694 -13.158 -7.271 279 HB3 LYS 35 3HB LYS 35 -10.531 -13.206 -5.520 280 HG2 LYS 35 2HG LYS 35 -9.046 -11.304 -7.320 281 HG3 LYS 35 3HG LYS 35 -10.537 -10.919 -6.458 282 HD2 LYS 35 2HD LYS 35 -9.137 -11.785 -4.386 283 HD3 LYS 35 3HD LYS 35 -7.779 -11.319 -5.413 284 HE2 LYS 35 2HE LYS 35 -8.069 -9.258 -4.605 285 HE3 LYS 35 3HE LYS 35 -9.496 -9.179 -5.637 286 HZ1 LYS 35 3HZ LYS 35 -9.523 -8.828 -2.979 287 HZ2 LYS 35 1HZ LYS 35 -9.923 -10.468 -3.087 288 HZ3 LYS 35 2HZ LYS 35 -10.864 -9.314 -3.887 289 H CYS 36 H CYS 36 -8.657 -14.153 -9.102 290 HA CYS 36 HA CYS 36 -6.281 -12.419 -9.287 291 HB2 CYS 36 2HB CYS 36 -6.248 -15.067 -9.829 292 HB3 CYS 36 3HB CYS 36 -6.705 -14.439 -11.409 293 H THR 37 H THR 37 -6.312 -10.818 -10.770 294 HA THR 37 HA THR 37 -8.541 -10.747 -12.689 295 HB THR 37 HB THR 37 -7.697 -8.129 -11.623 296 HG1 THR 37 HG1 THR 37 -8.850 -10.131 -10.011 297 HG21 THR 37 3HG2 THR 37 -9.902 -9.292 -12.996 298 HG22 THR 37 1HG2 THR 37 -9.610 -7.592 -12.629 299 HG23 THR 37 2HG2 THR 37 -10.495 -8.602 -11.485 300 H LYS 38 H LYS 38 -8.076 -8.546 -14.078 301 HA LYS 38 HA LYS 38 -6.101 -9.138 -15.871 302 HB2 LYS 38 2HB LYS 38 -7.896 -6.996 -15.443 303 HB3 LYS 38 3HB LYS 38 -6.309 -6.278 -15.691 304 HG2 LYS 38 2HG LYS 38 -6.165 -6.998 -17.851 305 HG3 LYS 38 3HG LYS 38 -7.199 -8.401 -17.570 306 HD2 LYS 38 2HD LYS 38 -9.097 -6.726 -17.252 307 HD3 LYS 38 3HD LYS 38 -8.003 -5.528 -17.947 308 HE2 LYS 38 2HE LYS 38 -8.731 -6.188 -19.946 309 HE3 LYS 38 3HE LYS 38 -7.840 -7.686 -19.680 310 HZ1 LYS 38 3HZ LYS 38 -9.818 -8.660 -19.901 311 HZ2 LYS 38 1HZ LYS 38 -10.675 -7.218 -19.683 312 HZ3 LYS 38 2HZ LYS 38 -10.153 -8.103 -18.340 313 H ASP 39 H ASP 39 -3.949 -8.987 -15.960 314 HA ASP 39 HA ASP 39 -2.346 -8.560 -13.763 315 HB2 ASP 39 2HB ASP 39 -0.680 -7.859 -15.834 316 HB3 ASP 39 3HB ASP 39 -1.014 -9.508 -15.310 317 H ASN 40 H ASN 40 -3.147 -6.241 -16.334 318 HA ASN 40 HA ASN 40 -1.717 -4.107 -15.029 319 HB2 ASN 40 2HB ASN 40 -3.431 -4.294 -17.494 320 HB3 ASN 40 3HB ASN 40 -2.921 -2.730 -16.864 321 HD21 ASN 40 2HD2 ASN 40 0.171 -5.196 -17.862 322 HD22 ASN 40 1HD2 ASN 40 -1.105 -5.742 -16.833 323 H ASN 41 H ASN 41 -4.748 -5.517 -14.661 324 HA ASN 41 HA ASN 41 -6.442 -3.373 -14.143 325 HB2 ASN 41 2HB ASN 41 -7.393 -5.550 -14.260 326 HB3 ASN 41 3HB ASN 41 -6.336 -6.159 -12.989 327 HD21 ASN 41 2HD2 ASN 41 -8.581 -5.468 -10.479 328 HD22 ASN 41 1HD2 ASN 41 -7.207 -6.338 -11.062 329 H LYS 42 H LYS 42 -5.430 -5.370 -11.422 330 HA LYS 42 HA LYS 42 -4.213 -3.119 -10.058 331 HB2 LYS 42 2HB LYS 42 -6.838 -4.322 -9.219 332 HB3 LYS 42 3HB LYS 42 -5.767 -3.572 -8.044 333 HG2 LYS 42 2HG LYS 42 -5.828 -1.499 -9.453 334 HG3 LYS 42 3HG LYS 42 -7.093 -2.275 -10.410 335 HD2 LYS 42 2HD LYS 42 -8.311 -1.034 -8.876 336 HD3 LYS 42 3HD LYS 42 -8.260 -2.628 -8.121 337 HE2 LYS 42 2HE LYS 42 -7.647 -1.362 -6.331 338 HE3 LYS 42 3HE LYS 42 -6.055 -1.629 -7.039 339 HZ1 LYS 42 3HZ LYS 42 -5.893 0.582 -6.980 340 HZ2 LYS 42 1HZ LYS 42 -7.557 0.810 -6.772 341 HZ3 LYS 42 2HZ LYS 42 -6.922 0.584 -8.323 342 H CYS 43 H CYS 43 -3.156 -5.568 -10.947 343 HA CYS 43 HA CYS 43 -3.019 -7.406 -8.737 344 HB2 CYS 43 2HB CYS 43 -2.794 -8.454 -10.820 345 HB3 CYS 43 3HB CYS 43 -1.683 -7.227 -11.422 346 H THR 44 H THR 44 -1.621 -7.398 -7.099 347 HA THR 44 HA THR 44 0.948 -6.057 -7.348 348 HB THR 44 HB THR 44 0.310 -5.061 -4.931 349 HG1 THR 44 HG1 THR 44 -1.836 -5.568 -4.886 350 HG21 THR 44 3HG2 THR 44 0.690 -3.095 -5.945 351 HG22 THR 44 1HG2 THR 44 -0.665 -3.302 -7.053 352 HG23 THR 44 2HG2 THR 44 0.892 -4.046 -7.416 353 H VAL 45 H VAL 45 2.390 -6.516 -5.541 354 HA VAL 45 HA VAL 45 1.725 -9.090 -4.275 355 HB VAL 45 HB VAL 45 3.640 -9.281 -5.722 356 HG11 VAL 45 1HG1 VAL 45 5.004 -7.569 -6.088 357 HG12 VAL 45 2HG1 VAL 45 4.205 -6.651 -4.810 358 HG13 VAL 45 3HG1 VAL 45 5.589 -7.675 -4.428 359 HG21 VAL 45 3HG2 VAL 45 4.798 -10.555 -4.284 360 HG22 VAL 45 1HG2 VAL 45 5.141 -9.197 -3.212 361 HG23 VAL 45 2HG2 VAL 45 3.597 -10.042 -3.099 362 H ASP 46 H ASP 46 1.318 -9.048 -2.175 363 HA ASP 46 HA ASP 46 2.796 -7.186 -0.463 364 HB2 ASP 46 2HB ASP 46 -0.205 -7.563 -0.357 365 HB3 ASP 46 3HB ASP 46 0.750 -6.595 0.763 366 H THR 47 H THR 47 2.590 -7.753 1.865 367 HA THR 47 HA THR 47 1.843 -10.522 2.400 368 HB THR 47 HB THR 47 4.164 -10.593 3.714 369 HG1 THR 47 HG1 THR 47 5.769 -9.527 2.603 370 HG21 THR 47 3HG2 THR 47 3.122 -11.731 1.365 371 HG22 THR 47 1HG2 THR 47 4.457 -12.330 2.349 372 HG23 THR 47 2HG2 THR 47 4.778 -11.256 0.987 373 H TYR 48 H TYR 48 1.440 -7.495 3.218 374 HA TYR 48 HA TYR 48 1.956 -7.557 6.048 375 HB2 TYR 48 2HB TYR 48 0.618 -5.618 4.186 376 HB3 TYR 48 3HB TYR 48 0.470 -5.425 5.929 377 HD1 TYR 48 HD1 TYR 48 2.474 -4.959 7.299 378 HD2 TYR 48 HD2 TYR 48 2.663 -5.111 3.051 379 HE1 TYR 48 HE1 TYR 48 4.643 -3.800 7.360 380 HE2 TYR 48 HE2 TYR 48 4.833 -3.954 3.100 381 HH TYR 48 HH TYR 48 5.939 -2.218 5.392 382 H ASN 49 H ASN 49 -0.893 -7.825 3.960 383 HA ASN 49 HA ASN 49 -2.541 -8.471 6.293 384 HB2 ASN 49 2HB ASN 49 -3.289 -6.769 4.558 385 HB3 ASN 49 3HB ASN 49 -3.484 -8.121 3.447 386 HD21 ASN 49 2HD2 ASN 49 -6.673 -8.766 4.548 387 HD22 ASN 49 1HD2 ASN 49 -5.497 -8.751 3.283 388 H ASN 50 H ASN 50 -0.519 -10.161 4.564 389 HA ASN 50 HA ASN 50 -0.262 -12.384 4.141 390 HB2 ASN 50 2HB ASN 50 -1.170 -13.433 5.907 391 HB3 ASN 50 3HB ASN 50 -2.502 -12.284 5.998 392 HD21 ASN 50 2HD2 ASN 50 -4.755 -14.249 4.160 393 HD22 ASN 50 1HD2 ASN 50 -4.352 -12.648 4.670 394 H ALA 51 H ALA 51 -2.304 -10.408 2.641 395 HA ALA 51 HA ALA 51 -3.901 -12.166 1.074 396 HB1 ALA 51 1HB ALA 51 -4.876 -10.233 0.598 397 HB2 ALA 51 2HB ALA 51 -3.545 -9.349 1.346 398 HB3 ALA 51 3HB ALA 51 -3.469 -9.777 -0.363 399 H VAL 52 H VAL 52 -3.590 -12.954 -0.986 400 HA VAL 52 HA VAL 52 -0.839 -13.310 -1.788 401 HB VAL 52 HB VAL 52 -2.597 -15.125 -1.891 402 HG11 VAL 52 1HG1 VAL 52 -4.054 -15.189 -3.838 403 HG12 VAL 52 2HG1 VAL 52 -4.390 -13.759 -2.860 404 HG13 VAL 52 3HG1 VAL 52 -3.460 -13.610 -4.352 405 HG21 VAL 52 3HG2 VAL 52 -1.633 -16.156 -3.808 406 HG22 VAL 52 1HG2 VAL 52 -1.227 -14.594 -4.520 407 HG23 VAL 52 2HG2 VAL 52 -0.381 -15.153 -3.077 408 H ASP 53 H ASP 53 -0.089 -12.923 -3.976 409 HA ASP 53 HA ASP 53 -0.961 -10.330 -4.934 410 HB2 ASP 53 2HB ASP 53 1.127 -11.779 -6.437 411 HB3 ASP 53 3HB ASP 53 1.111 -10.123 -5.837 412 H CYS 54 H CYS 54 -2.873 -10.544 -6.004 413 HA CYS 54 HA CYS 54 -2.782 -11.622 -8.652 414 HB2 CYS 54 2HB CYS 54 -4.107 -13.141 -6.476 415 HB3 CYS 54 3HB CYS 54 -5.001 -12.994 -7.986 416 H ASP 55 H ASP 55 -3.858 -10.207 -9.841 417 HA ASP 55 HA ASP 55 -6.495 -9.447 -9.532 418 HB2 ASP 55 2HB ASP 55 -4.676 -7.940 -7.824 419 HB3 ASP 55 3HB ASP 55 -5.586 -6.898 -8.916 Start of MODEL 12 1 H1 ALA 1 H ALA 1 2.322 1.339 1.034 2 HA ALA 1 HA ALA 1 3.507 1.832 -0.951 3 HB1 ALA 1 1HB ALA 1 5.229 2.977 0.851 4 HB2 ALA 1 2HB ALA 1 6.197 1.674 0.161 5 HB3 ALA 1 3HB ALA 1 5.475 2.889 -0.893 6 H LYS 2 H LYS 2 3.509 0.068 -2.164 7 HA LYS 2 HA LYS 2 5.000 -2.292 -1.222 8 HB2 LYS 2 2HB LYS 2 2.463 -2.403 -2.853 9 HB3 LYS 2 3HB LYS 2 3.306 -3.744 -2.090 10 HG2 LYS 2 2HG LYS 2 1.831 -3.509 -0.440 11 HG3 LYS 2 3HG LYS 2 2.777 -2.096 0.033 12 HD2 LYS 2 2HD LYS 2 0.694 -1.155 -0.106 13 HD3 LYS 2 3HD LYS 2 1.254 -0.903 -1.761 14 HE2 LYS 2 2HE LYS 2 -0.429 -3.229 -0.836 15 HE3 LYS 2 3HE LYS 2 -1.053 -1.787 -1.636 16 HZ1 LYS 2 3HZ LYS 2 -0.760 -3.559 -3.221 17 HZ2 LYS 2 1HZ LYS 2 0.866 -3.738 -2.789 18 HZ3 LYS 2 2HZ LYS 2 0.346 -2.323 -3.555 19 H TYR 3 H TYR 3 4.553 -3.846 -3.529 20 HA TYR 3 HA TYR 3 6.189 -2.365 -5.475 21 HB2 TYR 3 2HB TYR 3 6.514 -4.924 -4.282 22 HB3 TYR 3 3HB TYR 3 6.199 -5.175 -5.995 23 HD1 TYR 3 HD1 TYR 3 8.648 -4.317 -3.554 24 HD2 TYR 3 HD2 TYR 3 7.642 -3.851 -7.661 25 HE1 TYR 3 HE1 TYR 3 10.991 -3.764 -4.059 26 HE2 TYR 3 HE2 TYR 3 9.982 -3.297 -8.178 27 HH TYR 3 HH TYR 3 12.398 -3.979 -6.723 28 H THR 4 H THR 4 5.874 -2.919 -7.758 29 HA THR 4 HA THR 4 3.026 -3.142 -8.357 30 HB THR 4 HB THR 4 5.312 -2.427 -10.204 31 HG1 THR 4 HG1 THR 4 4.586 -0.290 -9.876 32 HG21 THR 4 3HG2 THR 4 3.183 -1.352 -11.375 33 HG22 THR 4 1HG2 THR 4 2.370 -2.681 -10.550 34 HG23 THR 4 2HG2 THR 4 3.675 -3.016 -11.688 35 H GLY 5 H GLY 5 2.208 -5.062 -8.859 36 HA2 GLY 5 2HA GLY 5 3.923 -6.959 -10.340 37 HA3 GLY 5 3HA GLY 5 2.834 -7.477 -9.062 38 H LYS 6 H LYS 6 2.601 -8.708 -11.432 39 HA LYS 6 HA LYS 6 -0.028 -7.813 -12.321 40 HB2 LYS 6 2HB LYS 6 1.090 -8.594 -14.710 41 HB3 LYS 6 3HB LYS 6 0.813 -6.931 -14.206 42 HG2 LYS 6 2HG LYS 6 3.057 -6.699 -13.457 43 HG3 LYS 6 3HG LYS 6 3.362 -8.427 -13.646 44 HD2 LYS 6 2HD LYS 6 3.556 -8.283 -15.920 45 HD3 LYS 6 3HD LYS 6 2.466 -6.899 -16.034 46 HE2 LYS 6 2HE LYS 6 4.141 -5.394 -15.347 47 HE3 LYS 6 3HE LYS 6 5.184 -6.693 -14.770 48 HZ1 LYS 6 3HZ LYS 6 4.653 -7.100 -17.495 49 HZ2 LYS 6 1HZ LYS 6 6.136 -6.776 -16.749 50 HZ3 LYS 6 2HZ LYS 6 5.165 -5.501 -17.290 51 H CYS 7 H CYS 7 -1.396 -9.469 -12.570 52 HA CYS 7 HA CYS 7 -0.254 -12.181 -12.756 53 HB2 CYS 7 2HB CYS 7 -1.335 -12.689 -10.867 54 HB3 CYS 7 3HB CYS 7 -2.000 -11.061 -10.787 55 H THR 8 H THR 8 -1.159 -13.606 -14.183 56 HA THR 8 HA THR 8 -3.024 -12.444 -16.124 57 HB THR 8 HB THR 8 -0.996 -13.293 -17.119 58 HG1 THR 8 HG1 THR 8 -3.098 -13.714 -18.155 59 HG21 THR 8 3HG2 THR 8 -1.244 -15.326 -15.154 60 HG22 THR 8 1HG2 THR 8 0.083 -15.052 -16.282 61 HG23 THR 8 2HG2 THR 8 -1.259 -16.102 -16.737 62 H LYS 9 H LYS 9 -5.092 -12.997 -16.052 63 HA LYS 9 HA LYS 9 -6.188 -14.840 -14.270 64 HB2 LYS 9 2HB LYS 9 -7.535 -13.063 -15.186 65 HB3 LYS 9 3HB LYS 9 -7.317 -13.677 -16.819 66 HG2 LYS 9 2HG LYS 9 -9.530 -14.204 -15.955 67 HG3 LYS 9 3HG LYS 9 -8.595 -15.670 -16.258 68 HD2 LYS 9 2HD LYS 9 -8.601 -16.258 -14.091 69 HD3 LYS 9 3HD LYS 9 -8.297 -14.607 -13.547 70 HE2 LYS 9 2HE LYS 9 -10.794 -14.260 -14.320 71 HE3 LYS 9 3HE LYS 9 -10.879 -16.001 -14.059 72 HZ1 LYS 9 3HZ LYS 9 -11.457 -14.495 -12.115 73 HZ2 LYS 9 1HZ LYS 9 -9.799 -14.182 -11.996 74 HZ3 LYS 9 2HZ LYS 9 -10.377 -15.760 -11.810 75 H SER 10 H SER 10 -4.702 -15.334 -17.312 76 HA SER 10 HA SER 10 -6.018 -17.711 -18.102 77 HB2 SER 10 2HB SER 10 -4.270 -16.083 -19.333 78 HB3 SER 10 3HB SER 10 -3.157 -17.353 -18.823 79 HG SER 10 HG SER 10 -5.533 -17.727 -20.333 80 H LYS 11 H LYS 11 -3.079 -17.104 -16.220 81 HA LYS 11 HA LYS 11 -2.934 -19.969 -15.583 82 HB2 LYS 11 2HB LYS 11 -0.898 -17.750 -15.398 83 HB3 LYS 11 3HB LYS 11 -0.646 -19.332 -14.672 84 HG2 LYS 11 2HG LYS 11 -1.259 -20.124 -17.135 85 HG3 LYS 11 3HG LYS 11 -0.627 -18.521 -17.518 86 HD2 LYS 11 2HD LYS 11 1.075 -19.863 -15.617 87 HD3 LYS 11 3HD LYS 11 0.837 -20.859 -17.055 88 HE2 LYS 11 2HE LYS 11 1.391 -17.988 -17.501 89 HE3 LYS 11 3HE LYS 11 2.721 -18.959 -16.873 90 HZ1 LYS 11 3HZ LYS 11 1.184 -19.472 -19.361 91 HZ2 LYS 11 1HZ LYS 11 2.374 -20.501 -18.737 92 HZ3 LYS 11 2HZ LYS 11 2.789 -18.946 -19.257 93 H ASN 12 H ASN 12 -4.217 -17.201 -14.365 94 HA ASN 12 HA ASN 12 -4.869 -16.474 -12.305 95 HB2 ASN 12 2HB ASN 12 -5.541 -19.163 -12.561 96 HB3 ASN 12 3HB ASN 12 -4.799 -19.058 -10.968 97 HD21 ASN 12 2HD2 ASN 12 -7.869 -18.124 -9.692 98 HD22 ASN 12 1HD2 ASN 12 -6.533 -19.220 -9.684 99 H GLU 13 H GLU 13 -2.113 -16.294 -12.715 100 HA GLU 13 HA GLU 13 -1.172 -16.523 -9.951 101 HB2 GLU 13 2HB GLU 13 0.947 -17.441 -10.584 102 HB3 GLU 13 3HB GLU 13 -0.306 -18.467 -11.267 103 HG2 GLU 13 2HG GLU 13 -0.002 -17.059 -13.397 104 HG3 GLU 13 3HG GLU 13 1.513 -16.544 -12.657 105 H CYS 14 H CYS 14 0.712 -15.150 -9.506 106 HA CYS 14 HA CYS 14 0.858 -12.842 -11.333 107 HB2 CYS 14 2HB CYS 14 -0.418 -12.546 -9.099 108 HB3 CYS 14 3HB CYS 14 1.177 -12.586 -8.353 109 H LYS 15 H LYS 15 2.850 -11.852 -11.593 110 HA LYS 15 HA LYS 15 5.148 -12.879 -10.133 111 HB2 LYS 15 2HB LYS 15 6.339 -13.677 -11.996 112 HB3 LYS 15 3HB LYS 15 4.721 -14.336 -12.194 113 HG2 LYS 15 2HG LYS 15 5.719 -11.851 -13.569 114 HG3 LYS 15 3HG LYS 15 5.721 -13.464 -14.287 115 HD2 LYS 15 2HD LYS 15 3.150 -13.285 -13.456 116 HD3 LYS 15 3HD LYS 15 3.493 -11.593 -13.827 117 HE2 LYS 15 2HE LYS 15 3.917 -13.924 -15.695 118 HE3 LYS 15 3HE LYS 15 2.563 -12.798 -15.756 119 HZ1 LYS 15 3HZ LYS 15 4.035 -11.969 -17.318 120 HZ2 LYS 15 1HZ LYS 15 5.403 -12.304 -16.380 121 HZ3 LYS 15 2HZ LYS 15 4.381 -11.023 -15.959 122 H TYR 16 H TYR 16 6.795 -11.424 -9.967 123 HA TYR 16 HA TYR 16 6.788 -9.052 -11.665 124 HB2 TYR 16 2HB TYR 16 6.725 -7.493 -9.858 125 HB3 TYR 16 3HB TYR 16 5.362 -8.584 -9.635 126 HD1 TYR 16 HD1 TYR 16 8.003 -6.990 -8.006 127 HD2 TYR 16 HD2 TYR 16 5.935 -10.707 -8.116 128 HE1 TYR 16 HE1 TYR 16 8.778 -7.482 -5.724 129 HE2 TYR 16 HE2 TYR 16 6.703 -11.208 -5.834 130 HH TYR 16 HH TYR 16 7.461 -9.733 -3.781 131 H LYS 17 H LYS 17 8.730 -7.641 -11.146 132 HA LYS 17 HA LYS 17 11.052 -9.373 -10.945 133 HB2 LYS 17 2HB LYS 17 10.758 -7.572 -12.712 134 HB3 LYS 17 3HB LYS 17 11.027 -6.395 -11.434 135 HG2 LYS 17 2HG LYS 17 13.196 -7.805 -11.016 136 HG3 LYS 17 3HG LYS 17 12.934 -8.303 -12.690 137 HD2 LYS 17 2HD LYS 17 12.699 -5.780 -13.171 138 HD3 LYS 17 3HD LYS 17 13.467 -5.560 -11.597 139 HE2 LYS 17 2HE LYS 17 14.759 -7.463 -13.457 140 HE3 LYS 17 3HE LYS 17 14.842 -5.756 -13.889 141 HZ1 LYS 17 3HZ LYS 17 16.701 -6.686 -12.462 142 HZ2 LYS 17 1HZ LYS 17 15.584 -6.714 -11.192 143 HZ3 LYS 17 2HZ LYS 17 15.984 -5.248 -11.934 144 H ASN 18 H ASN 18 12.235 -9.616 -9.169 145 HA ASN 18 HA ASN 18 11.872 -7.684 -6.978 146 HB2 ASN 18 2HB ASN 18 12.892 -9.704 -5.637 147 HB3 ASN 18 3HB ASN 18 11.184 -9.693 -6.065 148 HD21 ASN 18 2HD2 ASN 18 13.593 -12.607 -7.350 149 HD22 ASN 18 1HD2 ASN 18 14.073 -11.386 -6.225 150 H SER 19 H SER 19 13.917 -7.965 -5.396 151 HA SER 19 HA SER 19 16.057 -6.702 -6.712 152 HB2 SER 19 2HB SER 19 15.307 -7.009 -4.098 153 HB3 SER 19 3HB SER 19 16.732 -8.044 -4.180 154 HG SER 19 HG SER 19 16.628 -5.392 -4.041 155 H ALA 20 H ALA 20 15.507 -10.051 -5.782 156 HA ALA 20 HA ALA 20 18.079 -11.059 -6.223 157 HB1 ALA 20 1HB ALA 20 15.895 -12.859 -6.982 158 HB2 ALA 20 2HB ALA 20 17.160 -13.054 -5.768 159 HB3 ALA 20 3HB ALA 20 15.714 -12.118 -5.391 160 H GLY 21 H GLY 21 15.512 -10.240 -8.450 161 HA2 GLY 21 2HA GLY 21 15.846 -9.755 -10.729 162 HA3 GLY 21 3HA GLY 21 17.366 -10.634 -10.671 163 H LYS 22 H LYS 22 15.713 -12.808 -9.202 164 HA LYS 22 HA LYS 22 15.112 -14.292 -11.610 165 HB2 LYS 22 2HB LYS 22 16.283 -15.408 -9.787 166 HB3 LYS 22 3HB LYS 22 14.949 -15.068 -8.692 167 HG2 LYS 22 2HG LYS 22 13.993 -16.455 -11.017 168 HG3 LYS 22 3HG LYS 22 15.326 -17.341 -10.272 169 HD2 LYS 22 2HD LYS 22 14.082 -16.950 -8.059 170 HD3 LYS 22 3HD LYS 22 12.696 -16.534 -9.069 171 HE2 LYS 22 2HE LYS 22 13.670 -18.901 -10.153 172 HE3 LYS 22 3HE LYS 22 13.798 -19.129 -8.410 173 HZ1 LYS 22 3HZ LYS 22 11.311 -17.945 -9.098 174 HZ2 LYS 22 1HZ LYS 22 11.615 -19.384 -8.260 175 HZ3 LYS 22 2HZ LYS 22 11.532 -19.390 -9.950 176 H ASP 23 H ASP 23 13.208 -14.079 -12.574 177 HA ASP 23 HA ASP 23 10.938 -12.885 -11.496 178 HB2 ASP 23 2HB ASP 23 10.869 -14.973 -13.674 179 HB3 ASP 23 3HB ASP 23 9.776 -13.610 -13.445 180 H THR 24 H THR 24 9.558 -13.537 -9.998 181 HA THR 24 HA THR 24 9.343 -16.419 -9.436 182 HB THR 24 HB THR 24 10.156 -15.004 -7.561 183 HG1 THR 24 HG1 THR 24 9.211 -16.669 -6.630 184 HG21 THR 24 3HG2 THR 24 8.936 -13.289 -6.623 185 HG22 THR 24 1HG2 THR 24 7.402 -13.894 -7.245 186 HG23 THR 24 2HG2 THR 24 8.535 -13.085 -8.328 187 H PHE 25 H PHE 25 7.406 -17.430 -9.509 188 HA PHE 25 HA PHE 25 5.003 -15.795 -9.945 189 HB2 PHE 25 2HB PHE 25 4.244 -17.444 -11.645 190 HB3 PHE 25 3HB PHE 25 5.691 -16.568 -12.134 191 HD1 PHE 25 HD1 PHE 25 7.868 -17.690 -12.171 192 HD2 PHE 25 HD2 PHE 25 4.285 -19.798 -11.256 193 HE1 PHE 25 HE1 PHE 25 9.025 -19.824 -12.572 194 HE2 PHE 25 HE2 PHE 25 5.437 -21.935 -11.654 195 HZ PHE 25 HZ PHE 25 7.810 -21.950 -12.313 196 H ILE 26 H ILE 26 3.073 -16.656 -9.174 197 HA ILE 26 HA ILE 26 3.096 -19.263 -7.887 198 HB ILE 26 HB ILE 26 3.919 -17.843 -6.101 199 HG12 ILE 26 2HG1 ILE 26 1.043 -18.230 -5.375 200 HG13 ILE 26 3HG1 ILE 26 2.004 -19.637 -5.819 201 HG21 ILE 26 1HG2 ILE 26 3.267 -15.741 -5.791 202 HG22 ILE 26 2HG2 ILE 26 2.284 -15.902 -7.246 203 HG23 ILE 26 3HG2 ILE 26 1.575 -16.222 -5.663 204 HD11 ILE 26 3HD1 ILE 26 3.634 -18.395 -4.030 205 HD12 ILE 26 1HD1 ILE 26 2.035 -18.028 -3.385 206 HD13 ILE 26 2HD1 ILE 26 2.515 -19.704 -3.651 207 H LYS 27 H LYS 27 1.222 -20.245 -8.249 208 HA LYS 27 HA LYS 27 -0.980 -18.773 -9.398 209 HB2 LYS 27 2HB LYS 27 -1.946 -20.888 -9.885 210 HB3 LYS 27 3HB LYS 27 -0.219 -21.058 -10.170 211 HG2 LYS 27 2HG LYS 27 -0.129 -21.967 -7.765 212 HG3 LYS 27 3HG LYS 27 -1.876 -22.159 -7.935 213 HD2 LYS 27 2HD LYS 27 -1.449 -23.479 -10.014 214 HD3 LYS 27 3HD LYS 27 0.275 -23.405 -9.643 215 HE2 LYS 27 2HE LYS 27 -0.070 -24.593 -7.577 216 HE3 LYS 27 3HE LYS 27 -1.819 -24.545 -7.797 217 HZ1 LYS 27 3HZ LYS 27 -0.849 -26.697 -8.402 218 HZ2 LYS 27 1HZ LYS 27 0.079 -25.946 -9.601 219 HZ3 LYS 27 2HZ LYS 27 -1.608 -25.956 -9.720 220 H CYS 28 H CYS 28 -3.051 -18.571 -8.550 221 HA CYS 28 HA CYS 28 -3.278 -19.114 -5.661 222 HB2 CYS 28 2HB CYS 28 -4.705 -16.897 -7.131 223 HB3 CYS 28 3HB CYS 28 -4.546 -17.113 -5.391 224 HA PRO 29 HA PRO 29 -6.815 -21.577 -6.530 225 HB2 PRO 29 2HB PRO 29 -8.134 -21.335 -4.169 226 HB3 PRO 29 3HB PRO 29 -6.666 -22.302 -4.355 227 HG2 PRO 29 2HG PRO 29 -6.983 -19.530 -3.271 228 HG3 PRO 29 3HG PRO 29 -5.993 -20.866 -2.655 229 HD2 PRO 29 2HD PRO 29 -4.955 -18.836 -4.116 230 HD3 PRO 29 3HD PRO 29 -4.309 -20.488 -4.183 231 H LYS 30 H LYS 30 -9.364 -21.310 -5.656 232 HA LYS 30 HA LYS 30 -10.222 -18.790 -6.910 233 HB2 LYS 30 2HB LYS 30 -10.850 -21.338 -7.651 234 HB3 LYS 30 3HB LYS 30 -12.205 -20.948 -6.600 235 HG2 LYS 30 2HG LYS 30 -13.061 -19.430 -8.036 236 HG3 LYS 30 3HG LYS 30 -11.474 -18.907 -8.604 237 HD2 LYS 30 2HD LYS 30 -12.353 -21.659 -9.295 238 HD3 LYS 30 3HD LYS 30 -13.131 -20.314 -10.133 239 HE2 LYS 30 2HE LYS 30 -11.353 -20.734 -11.527 240 HE3 LYS 30 3HE LYS 30 -10.670 -19.496 -10.475 241 HZ1 LYS 30 3HZ LYS 30 -9.481 -21.819 -10.977 242 HZ2 LYS 30 1HZ LYS 30 -10.339 -22.238 -9.580 243 HZ3 LYS 30 2HZ LYS 30 -9.246 -20.948 -9.546 244 H PHE 31 H PHE 31 -9.650 -19.711 -3.972 245 HA PHE 31 HA PHE 31 -12.209 -19.203 -2.714 246 HB2 PHE 31 2HB PHE 31 -10.093 -20.695 -1.944 247 HB3 PHE 31 3HB PHE 31 -9.742 -19.203 -1.076 248 HD1 PHE 31 HD1 PHE 31 -10.504 -19.095 1.076 249 HD2 PHE 31 HD2 PHE 31 -12.707 -21.367 -1.771 250 HE1 PHE 31 HE1 PHE 31 -12.101 -19.741 2.832 251 HE2 PHE 31 HE2 PHE 31 -14.308 -22.016 -0.020 252 HZ PHE 31 HZ PHE 31 -14.007 -21.203 2.285 253 H ASP 32 H ASP 32 -12.211 -17.587 -0.842 254 HA ASP 32 HA ASP 32 -11.957 -15.005 -1.839 255 HB2 ASP 32 2HB ASP 32 -12.738 -16.236 0.645 256 HB3 ASP 32 3HB ASP 32 -11.767 -14.802 0.966 257 H ASN 33 H ASN 33 -10.554 -13.263 -1.208 258 HA ASN 33 HA ASN 33 -8.485 -12.320 -1.081 259 HB2 ASN 33 2HB ASN 33 -8.879 -12.978 1.310 260 HB3 ASN 33 3HB ASN 33 -7.965 -14.452 1.000 261 HD21 ASN 33 2HD2 ASN 33 -5.403 -12.441 2.396 262 HD22 ASN 33 1HD2 ASN 33 -6.681 -13.535 2.792 263 H LYS 34 H LYS 34 -8.929 -14.732 -2.839 264 HA LYS 34 HA LYS 34 -6.117 -15.134 -3.497 265 HB2 LYS 34 2HB LYS 34 -8.046 -17.437 -3.153 266 HB3 LYS 34 3HB LYS 34 -6.393 -17.560 -3.739 267 HG2 LYS 34 2HG LYS 34 -7.078 -16.480 -1.021 268 HG3 LYS 34 3HG LYS 34 -6.776 -18.191 -1.330 269 HD2 LYS 34 2HD LYS 34 -4.633 -16.979 -2.539 270 HD3 LYS 34 3HD LYS 34 -4.901 -15.959 -1.124 271 HE2 LYS 34 2HE LYS 34 -3.771 -17.477 0.050 272 HE3 LYS 34 3HE LYS 34 -5.153 -18.550 -0.163 273 HZ1 LYS 34 3HZ LYS 34 -3.655 -18.715 -2.488 274 HZ2 LYS 34 1HZ LYS 34 -3.825 -19.896 -1.288 275 HZ3 LYS 34 2HZ LYS 34 -2.544 -18.794 -1.215 276 H LYS 35 H LYS 35 -8.228 -13.601 -4.705 277 HA LYS 35 HA LYS 35 -8.989 -15.094 -7.087 278 HB2 LYS 35 2HB LYS 35 -10.476 -13.359 -7.567 279 HB3 LYS 35 3HB LYS 35 -10.487 -13.423 -5.809 280 HG2 LYS 35 2HG LYS 35 -8.898 -11.550 -5.748 281 HG3 LYS 35 3HG LYS 35 -8.953 -11.468 -7.511 282 HD2 LYS 35 2HD LYS 35 -11.601 -11.447 -6.309 283 HD3 LYS 35 3HD LYS 35 -10.597 -10.104 -5.758 284 HE2 LYS 35 2HE LYS 35 -10.072 -9.659 -8.183 285 HE3 LYS 35 3HE LYS 35 -11.324 -10.831 -8.588 286 HZ1 LYS 35 3HZ LYS 35 -12.259 -8.906 -6.709 287 HZ2 LYS 35 1HZ LYS 35 -12.897 -9.330 -8.217 288 HZ3 LYS 35 2HZ LYS 35 -11.684 -8.157 -8.112 289 H CYS 36 H CYS 36 -8.524 -14.314 -9.226 290 HA CYS 36 HA CYS 36 -6.052 -12.716 -9.377 291 HB2 CYS 36 2HB CYS 36 -6.175 -15.361 -9.962 292 HB3 CYS 36 3HB CYS 36 -6.558 -14.672 -11.536 293 H THR 37 H THR 37 -5.941 -11.150 -10.915 294 HA THR 37 HA THR 37 -8.170 -10.919 -12.815 295 HB THR 37 HB THR 37 -7.191 -8.354 -11.750 296 HG1 THR 37 HG1 THR 37 -8.532 -10.253 -10.127 297 HG21 THR 37 3HG2 THR 37 -9.006 -7.942 -13.031 298 HG22 THR 37 1HG2 THR 37 -9.892 -8.328 -11.556 299 HG23 THR 37 2HG2 THR 37 -9.667 -9.560 -12.798 300 H LYS 38 H LYS 38 -7.556 -8.704 -14.157 301 HA LYS 38 HA LYS 38 -5.596 -9.418 -15.945 302 HB2 LYS 38 2HB LYS 38 -7.336 -7.248 -15.609 303 HB3 LYS 38 3HB LYS 38 -5.732 -6.535 -15.722 304 HG2 LYS 38 2HG LYS 38 -5.563 -8.214 -17.776 305 HG3 LYS 38 3HG LYS 38 -7.314 -7.991 -17.755 306 HD2 LYS 38 2HD LYS 38 -5.341 -5.713 -17.761 307 HD3 LYS 38 3HD LYS 38 -6.050 -6.394 -19.227 308 HE2 LYS 38 2HE LYS 38 -7.729 -5.381 -16.949 309 HE3 LYS 38 3HE LYS 38 -7.168 -4.325 -18.245 310 HZ1 LYS 38 3HZ LYS 38 -8.238 -6.490 -19.529 311 HZ2 LYS 38 1HZ LYS 38 -8.965 -4.972 -19.349 312 HZ3 LYS 38 2HZ LYS 38 -9.308 -6.210 -18.249 313 H ASP 39 H ASP 39 -3.468 -8.659 -16.360 314 HA ASP 39 HA ASP 39 -1.718 -8.743 -14.211 315 HB2 ASP 39 2HB ASP 39 -0.128 -7.548 -15.932 316 HB3 ASP 39 3HB ASP 39 -0.680 -9.195 -16.225 317 H ASN 40 H ASN 40 -2.628 -5.861 -16.110 318 HA ASN 40 HA ASN 40 -1.456 -4.108 -14.135 319 HB2 ASN 40 2HB ASN 40 -2.862 -3.680 -16.760 320 HB3 ASN 40 3HB ASN 40 -2.519 -2.327 -15.685 321 HD21 ASN 40 2HD2 ASN 40 0.811 -4.356 -16.878 322 HD22 ASN 40 1HD2 ASN 40 -0.536 -5.186 -16.183 323 H ASN 41 H ASN 41 -4.291 -5.768 -14.287 324 HA ASN 41 HA ASN 41 -6.330 -4.025 -13.677 325 HB2 ASN 41 2HB ASN 41 -6.670 -6.434 -13.989 326 HB3 ASN 41 3HB ASN 41 -5.839 -6.757 -12.470 327 HD21 ASN 41 2HD2 ASN 41 -8.600 -6.175 -10.466 328 HD22 ASN 41 1HD2 ASN 41 -6.923 -6.572 -10.583 329 H LYS 42 H LYS 42 -5.109 -5.977 -11.011 330 HA LYS 42 HA LYS 42 -4.357 -3.652 -9.461 331 HB2 LYS 42 2HB LYS 42 -6.831 -5.254 -8.887 332 HB3 LYS 42 3HB LYS 42 -5.948 -4.477 -7.579 333 HG2 LYS 42 2HG LYS 42 -6.158 -2.364 -9.123 334 HG3 LYS 42 3HG LYS 42 -7.521 -3.264 -9.791 335 HD2 LYS 42 2HD LYS 42 -7.209 -2.879 -6.832 336 HD3 LYS 42 3HD LYS 42 -7.965 -1.644 -7.841 337 HE2 LYS 42 2HE LYS 42 -9.779 -2.969 -8.336 338 HE3 LYS 42 3HE LYS 42 -8.889 -4.469 -8.076 339 HZ1 LYS 42 3HZ LYS 42 -10.389 -4.239 -6.287 340 HZ2 LYS 42 1HZ LYS 42 -9.964 -2.623 -6.021 341 HZ3 LYS 42 2HZ LYS 42 -8.865 -3.856 -5.661 342 H CYS 43 H CYS 43 -2.965 -5.952 -10.416 343 HA CYS 43 HA CYS 43 -2.649 -7.791 -8.221 344 HB2 CYS 43 2HB CYS 43 -2.339 -8.628 -10.467 345 HB3 CYS 43 3HB CYS 43 -1.100 -7.420 -10.791 346 H THR 44 H THR 44 -1.332 -7.581 -6.538 347 HA THR 44 HA THR 44 1.105 -6.012 -6.745 348 HB THR 44 HB THR 44 0.028 -5.166 -4.294 349 HG1 THR 44 HG1 THR 44 -2.016 -5.781 -5.580 350 HG21 THR 44 3HG2 THR 44 0.975 -4.020 -6.804 351 HG22 THR 44 1HG2 THR 44 1.248 -3.488 -5.145 352 HG23 THR 44 2HG2 THR 44 -0.224 -3.013 -5.993 353 H VAL 45 H VAL 45 2.430 -6.185 -4.735 354 HA VAL 45 HA VAL 45 2.088 -8.861 -3.568 355 HB VAL 45 HB VAL 45 4.185 -8.625 -4.725 356 HG11 VAL 45 1HG1 VAL 45 5.579 -6.716 -3.154 357 HG12 VAL 45 2HG1 VAL 45 5.219 -6.668 -4.881 358 HG13 VAL 45 3HG1 VAL 45 4.086 -5.970 -3.723 359 HG21 VAL 45 3HG2 VAL 45 5.550 -9.507 -3.104 360 HG22 VAL 45 1HG2 VAL 45 5.046 -8.334 -1.887 361 HG23 VAL 45 2HG2 VAL 45 3.978 -9.668 -2.322 362 H ASP 46 H ASP 46 1.346 -8.956 -1.564 363 HA ASP 46 HA ASP 46 2.217 -6.950 0.384 364 HB2 ASP 46 2HB ASP 46 -0.657 -7.843 0.307 365 HB3 ASP 46 3HB ASP 46 0.046 -6.478 1.170 366 H THR 47 H THR 47 2.495 -7.714 2.442 367 HA THR 47 HA THR 47 1.832 -10.544 2.917 368 HB THR 47 HB THR 47 4.235 -10.348 2.431 369 HG1 THR 47 HG1 THR 47 3.676 -11.936 3.914 370 HG21 THR 47 3HG2 THR 47 4.148 -7.936 3.634 371 HG22 THR 47 1HG2 THR 47 5.636 -8.853 3.397 372 HG23 THR 47 2HG2 THR 47 4.800 -8.913 4.949 373 H TYR 48 H TYR 48 1.601 -7.360 3.950 374 HA TYR 48 HA TYR 48 1.511 -7.860 6.781 375 HB2 TYR 48 2HB TYR 48 0.932 -5.487 5.036 376 HB3 TYR 48 3HB TYR 48 0.465 -5.478 6.733 377 HD1 TYR 48 HD1 TYR 48 3.045 -4.744 4.447 378 HD2 TYR 48 HD2 TYR 48 2.375 -6.105 8.422 379 HE1 TYR 48 HE1 TYR 48 5.323 -4.051 5.062 380 HE2 TYR 48 HE2 TYR 48 4.651 -5.415 9.049 381 HH TYR 48 HH TYR 48 6.401 -3.370 7.660 382 H ASN 49 H ASN 49 -0.811 -7.527 4.160 383 HA ASN 49 HA ASN 49 -3.057 -7.794 5.995 384 HB2 ASN 49 2HB ASN 49 -3.256 -7.715 2.992 385 HB3 ASN 49 3HB ASN 49 -4.454 -7.224 4.186 386 HD21 ASN 49 2HD2 ASN 49 -2.213 -4.467 2.583 387 HD22 ASN 49 1HD2 ASN 49 -2.626 -6.003 1.909 388 H ASN 50 H ASN 50 -0.998 -9.951 5.255 389 HA ASN 50 HA ASN 50 -0.940 -12.185 4.788 390 HB2 ASN 50 2HB ASN 50 -2.648 -13.501 5.872 391 HB3 ASN 50 3HB ASN 50 -2.298 -12.102 6.884 392 HD21 ASN 50 2HD2 ASN 50 -5.925 -12.514 5.074 393 HD22 ASN 50 1HD2 ASN 50 -4.562 -13.444 4.562 394 H ALA 51 H ALA 51 -2.092 -10.343 2.720 395 HA ALA 51 HA ALA 51 -3.879 -12.175 1.290 396 HB1 ALA 51 1HB ALA 51 -3.782 -10.010 -0.305 397 HB2 ALA 51 2HB ALA 51 -4.917 -10.189 1.034 398 HB3 ALA 51 3HB ALA 51 -3.433 -9.261 1.253 399 H VAL 52 H VAL 52 -3.381 -13.038 -0.692 400 HA VAL 52 HA VAL 52 -0.567 -13.201 -1.333 401 HB VAL 52 HB VAL 52 -2.830 -14.448 -2.884 402 HG11 VAL 52 1HG1 VAL 52 -0.853 -16.212 -3.035 403 HG12 VAL 52 2HG1 VAL 52 -0.979 -14.850 -4.149 404 HG13 VAL 52 3HG1 VAL 52 0.118 -14.765 -2.770 405 HG21 VAL 52 3HG2 VAL 52 -1.461 -15.457 -0.395 406 HG22 VAL 52 1HG2 VAL 52 -3.176 -15.105 -0.608 407 HG23 VAL 52 2HG2 VAL 52 -2.442 -16.464 -1.460 408 H ASP 53 H ASP 53 0.257 -12.874 -3.506 409 HA ASP 53 HA ASP 53 -0.742 -10.409 -4.638 410 HB2 ASP 53 2HB ASP 53 1.456 -11.839 -6.005 411 HB3 ASP 53 3HB ASP 53 1.332 -10.147 -5.532 412 H CYS 54 H CYS 54 -2.627 -10.797 -5.718 413 HA CYS 54 HA CYS 54 -2.414 -12.016 -8.304 414 HB2 CYS 54 2HB CYS 54 -3.736 -13.448 -6.068 415 HB3 CYS 54 3HB CYS 54 -4.598 -13.429 -7.603 416 H ASP 55 H ASP 55 -3.516 -10.729 -9.610 417 HA ASP 55 HA ASP 55 -6.185 -10.053 -9.413 418 HB2 ASP 55 2HB ASP 55 -4.461 -8.358 -7.775 419 HB3 ASP 55 3HB ASP 55 -5.408 -7.438 -8.941 Start of MODEL 13 1 H1 ALA 1 H ALA 1 2.521 0.795 0.551 2 HA ALA 1 HA ALA 1 4.481 1.859 -0.915 3 HB1 ALA 1 1HB ALA 1 5.563 2.980 0.840 4 HB2 ALA 1 2HB ALA 1 5.478 1.574 1.903 5 HB3 ALA 1 3HB ALA 1 6.567 1.566 0.516 6 H LYS 2 H LYS 2 3.722 -0.051 -1.967 7 HA LYS 2 HA LYS 2 5.071 -2.505 -1.049 8 HB2 LYS 2 2HB LYS 2 2.563 -2.434 -2.722 9 HB3 LYS 2 3HB LYS 2 3.281 -3.822 -1.916 10 HG2 LYS 2 2HG LYS 2 1.919 -3.456 -0.212 11 HG3 LYS 2 3HG LYS 2 2.793 -1.956 0.106 12 HD2 LYS 2 2HD LYS 2 0.640 -1.175 -0.119 13 HD3 LYS 2 3HD LYS 2 1.233 -1.005 -1.773 14 HE2 LYS 2 2HE LYS 2 -0.256 -3.429 -0.787 15 HE3 LYS 2 3HE LYS 2 -1.052 -2.041 -1.527 16 HZ1 LYS 2 3HZ LYS 2 -0.678 -3.685 -3.194 17 HZ2 LYS 2 1HZ LYS 2 0.958 -3.824 -2.787 18 HZ3 LYS 2 2HZ LYS 2 0.382 -2.401 -3.496 19 H TYR 3 H TYR 3 4.551 -4.020 -3.357 20 HA TYR 3 HA TYR 3 6.301 -2.654 -5.288 21 HB2 TYR 3 2HB TYR 3 6.400 -5.258 -4.106 22 HB3 TYR 3 3HB TYR 3 6.174 -5.435 -5.842 23 HD1 TYR 3 HD1 TYR 3 7.779 -4.040 -7.350 24 HD2 TYR 3 HD2 TYR 3 8.537 -4.932 -3.260 25 HE1 TYR 3 HE1 TYR 3 10.176 -3.624 -7.710 26 HE2 TYR 3 HE2 TYR 3 10.936 -4.517 -3.608 27 HH TYR 3 HH TYR 3 12.155 -3.027 -6.418 28 H THR 4 H THR 4 5.972 -3.175 -7.571 29 HA THR 4 HA THR 4 3.111 -3.319 -8.185 30 HB THR 4 HB THR 4 5.372 -2.506 -10.020 31 HG1 THR 4 HG1 THR 4 4.502 -0.355 -9.553 32 HG21 THR 4 3HG2 THR 4 2.393 -2.059 -10.240 33 HG22 THR 4 1HG2 THR 4 3.303 -3.275 -11.136 34 HG23 THR 4 2HG2 THR 4 3.619 -1.560 -11.405 35 H GLY 5 H GLY 5 2.312 -5.211 -8.809 36 HA2 GLY 5 2HA GLY 5 4.030 -6.976 -10.440 37 HA3 GLY 5 3HA GLY 5 3.026 -7.608 -9.143 38 H LYS 6 H LYS 6 2.694 -8.724 -11.543 39 HA LYS 6 HA LYS 6 0.023 -7.803 -12.295 40 HB2 LYS 6 2HB LYS 6 1.129 -8.640 -14.712 41 HB3 LYS 6 3HB LYS 6 0.737 -6.988 -14.251 42 HG2 LYS 6 2HG LYS 6 3.372 -8.180 -13.497 43 HG3 LYS 6 3HG LYS 6 3.106 -7.536 -15.119 44 HD2 LYS 6 2HD LYS 6 2.096 -5.607 -13.352 45 HD3 LYS 6 3HD LYS 6 3.632 -6.136 -12.660 46 HE2 LYS 6 2HE LYS 6 4.322 -4.448 -14.065 47 HE3 LYS 6 3HE LYS 6 4.499 -5.860 -15.106 48 HZ1 LYS 6 3HZ LYS 6 3.412 -4.102 -16.302 49 HZ2 LYS 6 1HZ LYS 6 2.228 -3.947 -15.103 50 HZ3 LYS 6 2HZ LYS 6 2.301 -5.351 -16.043 51 H CYS 7 H CYS 7 -1.384 -9.432 -12.516 52 HA CYS 7 HA CYS 7 -0.299 -12.166 -12.717 53 HB2 CYS 7 2HB CYS 7 -1.317 -12.567 -10.764 54 HB3 CYS 7 3HB CYS 7 -2.088 -10.984 -10.780 55 H THR 8 H THR 8 -1.287 -13.601 -14.094 56 HA THR 8 HA THR 8 -3.190 -12.412 -15.993 57 HB THR 8 HB THR 8 -1.168 -13.177 -17.066 58 HG1 THR 8 HG1 THR 8 -3.418 -13.724 -17.919 59 HG21 THR 8 3HG2 THR 8 -1.271 -15.241 -15.142 60 HG22 THR 8 1HG2 THR 8 -0.022 -14.948 -16.351 61 HG23 THR 8 2HG2 THR 8 -1.379 -16.010 -16.725 62 H LYS 9 H LYS 9 -5.238 -13.024 -15.873 63 HA LYS 9 HA LYS 9 -6.249 -14.916 -14.106 64 HB2 LYS 9 2HB LYS 9 -7.287 -13.129 -16.063 65 HB3 LYS 9 3HB LYS 9 -8.024 -14.703 -16.333 66 HG2 LYS 9 2HG LYS 9 -8.081 -14.250 -13.555 67 HG3 LYS 9 3HG LYS 9 -8.612 -12.757 -14.332 68 HD2 LYS 9 2HD LYS 9 -10.612 -13.843 -14.255 69 HD3 LYS 9 3HD LYS 9 -10.019 -14.481 -15.791 70 HE2 LYS 9 2HE LYS 9 -9.117 -16.010 -13.476 71 HE3 LYS 9 3HE LYS 9 -10.872 -15.973 -13.644 72 HZ1 LYS 9 3HZ LYS 9 -8.949 -16.800 -15.751 73 HZ2 LYS 9 1HZ LYS 9 -10.632 -16.759 -15.917 74 HZ3 LYS 9 2HZ LYS 9 -9.916 -17.840 -14.832 75 H SER 10 H SER 10 -4.826 -15.344 -17.202 76 HA SER 10 HA SER 10 -6.049 -17.756 -17.987 77 HB2 SER 10 2HB SER 10 -4.236 -16.068 -19.129 78 HB3 SER 10 3HB SER 10 -3.206 -17.436 -18.708 79 HG SER 10 HG SER 10 -4.794 -18.766 -19.808 80 H LYS 11 H LYS 11 -3.149 -17.098 -16.063 81 HA LYS 11 HA LYS 11 -2.975 -19.962 -15.420 82 HB2 LYS 11 2HB LYS 11 -0.935 -17.745 -15.211 83 HB3 LYS 11 3HB LYS 11 -0.681 -19.362 -14.567 84 HG2 LYS 11 2HG LYS 11 -1.010 -20.263 -16.858 85 HG3 LYS 11 3HG LYS 11 -1.089 -18.603 -17.451 86 HD2 LYS 11 2HD LYS 11 1.186 -18.310 -16.269 87 HD3 LYS 11 3HD LYS 11 1.237 -20.074 -16.258 88 HE2 LYS 11 2HE LYS 11 1.066 -20.140 -18.660 89 HE3 LYS 11 3HE LYS 11 0.832 -18.394 -18.730 90 HZ1 LYS 11 3HZ LYS 11 3.062 -18.089 -17.869 91 HZ2 LYS 11 1HZ LYS 11 3.102 -19.020 -19.281 92 HZ3 LYS 11 2HZ LYS 11 3.288 -19.763 -17.773 93 H ASN 12 H ASN 12 -4.238 -17.171 -14.218 94 HA ASN 12 HA ASN 12 -4.876 -16.426 -12.161 95 HB2 ASN 12 2HB ASN 12 -5.569 -19.110 -12.392 96 HB3 ASN 12 3HB ASN 12 -4.809 -19.003 -10.807 97 HD21 ASN 12 2HD2 ASN 12 -7.876 -18.060 -9.521 98 HD22 ASN 12 1HD2 ASN 12 -6.558 -19.178 -9.531 99 H GLU 13 H GLU 13 -2.140 -16.219 -12.571 100 HA GLU 13 HA GLU 13 -1.179 -16.444 -9.817 101 HB2 GLU 13 2HB GLU 13 0.954 -17.349 -10.477 102 HB3 GLU 13 3HB GLU 13 -0.316 -18.405 -11.079 103 HG2 GLU 13 2HG GLU 13 -0.069 -17.541 -13.298 104 HG3 GLU 13 3HG GLU 13 1.060 -16.308 -12.739 105 H CYS 14 H CYS 14 0.685 -15.060 -9.378 106 HA CYS 14 HA CYS 14 0.840 -12.774 -11.233 107 HB2 CYS 14 2HB CYS 14 -0.417 -12.482 -8.971 108 HB3 CYS 14 3HB CYS 14 1.197 -12.467 -8.267 109 H LYS 15 H LYS 15 2.834 -11.741 -11.448 110 HA LYS 15 HA LYS 15 5.133 -12.785 -10.012 111 HB2 LYS 15 2HB LYS 15 6.334 -13.546 -11.900 112 HB3 LYS 15 3HB LYS 15 4.731 -14.256 -12.048 113 HG2 LYS 15 2HG LYS 15 5.575 -11.740 -13.464 114 HG3 LYS 15 3HG LYS 15 5.692 -13.355 -14.169 115 HD2 LYS 15 2HD LYS 15 3.105 -13.285 -13.255 116 HD3 LYS 15 3HD LYS 15 3.363 -11.626 -13.802 117 HE2 LYS 15 2HE LYS 15 4.413 -12.863 -15.890 118 HE3 LYS 15 3HE LYS 15 3.356 -14.167 -15.350 119 HZ1 LYS 15 3HZ LYS 15 2.399 -11.401 -15.819 120 HZ2 LYS 15 1HZ LYS 15 1.466 -12.794 -15.594 121 HZ3 LYS 15 2HZ LYS 15 2.369 -12.601 -17.011 122 H TYR 16 H TYR 16 6.811 -11.349 -9.884 123 HA TYR 16 HA TYR 16 6.783 -8.964 -11.560 124 HB2 TYR 16 2HB TYR 16 6.740 -7.413 -9.748 125 HB3 TYR 16 3HB TYR 16 5.381 -8.505 -9.510 126 HD1 TYR 16 HD1 TYR 16 5.887 -10.581 -7.963 127 HD2 TYR 16 HD2 TYR 16 8.129 -6.964 -7.955 128 HE1 TYR 16 HE1 TYR 16 6.688 -11.089 -5.693 129 HE2 TYR 16 HE2 TYR 16 8.937 -7.463 -5.686 130 HH TYR 16 HH TYR 16 7.600 -9.985 -3.773 131 H LYS 17 H LYS 17 8.740 -7.592 -11.147 132 HA LYS 17 HA LYS 17 11.051 -9.335 -10.872 133 HB2 LYS 17 2HB LYS 17 10.767 -7.686 -12.770 134 HB3 LYS 17 3HB LYS 17 11.022 -6.403 -11.593 135 HG2 LYS 17 2HG LYS 17 13.222 -6.650 -11.694 136 HG3 LYS 17 3HG LYS 17 13.103 -8.389 -11.413 137 HD2 LYS 17 2HD LYS 17 12.491 -7.209 -14.102 138 HD3 LYS 17 3HD LYS 17 14.152 -7.564 -13.620 139 HE2 LYS 17 2HE LYS 17 13.086 -9.893 -12.973 140 HE3 LYS 17 3HE LYS 17 11.888 -9.415 -14.174 141 HZ1 LYS 17 3HZ LYS 17 13.815 -10.745 -15.027 142 HZ2 LYS 17 1HZ LYS 17 14.801 -9.405 -14.719 143 HZ3 LYS 17 2HZ LYS 17 13.536 -9.286 -15.836 144 H ASN 18 H ASN 18 12.202 -9.488 -9.069 145 HA ASN 18 HA ASN 18 11.925 -7.367 -7.047 146 HB2 ASN 18 2HB ASN 18 12.882 -9.315 -5.550 147 HB3 ASN 18 3HB ASN 18 11.170 -9.257 -5.958 148 HD21 ASN 18 2HD2 ASN 18 13.417 -12.378 -7.027 149 HD22 ASN 18 1HD2 ASN 18 13.969 -11.097 -6.008 150 H SER 19 H SER 19 13.960 -7.573 -5.454 151 HA SER 19 HA SER 19 16.134 -6.488 -6.843 152 HB2 SER 19 2HB SER 19 15.408 -6.850 -4.152 153 HB3 SER 19 3HB SER 19 16.970 -7.648 -4.331 154 HG SER 19 HG SER 19 17.762 -5.711 -4.224 155 H ALA 20 H ALA 20 15.481 -9.770 -5.756 156 HA ALA 20 HA ALA 20 18.003 -10.895 -6.163 157 HB1 ALA 20 1HB ALA 20 15.690 -11.847 -5.221 158 HB2 ALA 20 2HB ALA 20 15.654 -12.560 -6.834 159 HB3 ALA 20 3HB ALA 20 17.010 -12.888 -5.755 160 H GLY 21 H GLY 21 15.409 -10.183 -8.427 161 HA2 GLY 21 2HA GLY 21 15.725 -9.788 -10.725 162 HA3 GLY 21 3HA GLY 21 17.276 -10.610 -10.631 163 H LYS 22 H LYS 22 15.729 -12.786 -9.074 164 HA LYS 22 HA LYS 22 15.216 -14.418 -11.389 165 HB2 LYS 22 2HB LYS 22 16.244 -15.086 -9.072 166 HB3 LYS 22 3HB LYS 22 14.562 -15.272 -8.593 167 HG2 LYS 22 2HG LYS 22 14.490 -16.691 -10.840 168 HG3 LYS 22 3HG LYS 22 16.200 -16.890 -10.451 169 HD2 LYS 22 2HD LYS 22 14.168 -17.310 -8.308 170 HD3 LYS 22 3HD LYS 22 14.403 -18.568 -9.524 171 HE2 LYS 22 2HE LYS 22 16.956 -18.107 -8.908 172 HE3 LYS 22 3HE LYS 22 16.221 -17.618 -7.382 173 HZ1 LYS 22 3HZ LYS 22 15.224 -19.758 -7.156 174 HZ2 LYS 22 1HZ LYS 22 16.868 -19.990 -7.478 175 HZ3 LYS 22 2HZ LYS 22 15.725 -20.230 -8.701 176 H ASP 23 H ASP 23 13.354 -14.351 -12.447 177 HA ASP 23 HA ASP 23 11.025 -13.100 -11.640 178 HB2 ASP 23 2HB ASP 23 9.927 -14.682 -13.379 179 HB3 ASP 23 3HB ASP 23 11.158 -13.546 -13.926 180 H THR 24 H THR 24 9.567 -13.552 -10.140 181 HA THR 24 HA THR 24 9.304 -16.344 -9.231 182 HB THR 24 HB THR 24 10.203 -14.824 -7.501 183 HG1 THR 24 HG1 THR 24 8.453 -16.604 -7.188 184 HG21 THR 24 3HG2 THR 24 7.662 -13.468 -7.010 185 HG22 THR 24 1HG2 THR 24 8.435 -12.982 -8.518 186 HG23 THR 24 2HG2 THR 24 9.306 -12.831 -6.991 187 H PHE 25 H PHE 25 7.354 -17.290 -9.315 188 HA PHE 25 HA PHE 25 4.993 -15.602 -9.775 189 HB2 PHE 25 2HB PHE 25 4.169 -17.163 -11.460 190 HB3 PHE 25 3HB PHE 25 5.740 -16.527 -11.936 191 HD1 PHE 25 HD1 PHE 25 7.696 -17.946 -11.984 192 HD2 PHE 25 HD2 PHE 25 3.896 -19.479 -10.830 193 HE1 PHE 25 HE1 PHE 25 8.544 -20.240 -12.250 194 HE2 PHE 25 HE2 PHE 25 4.739 -21.776 -11.093 195 HZ PHE 25 HZ PHE 25 7.066 -22.158 -11.803 196 H ILE 26 H ILE 26 3.026 -16.429 -9.011 197 HA ILE 26 HA ILE 26 3.058 -18.957 -7.560 198 HB ILE 26 HB ILE 26 3.771 -17.394 -5.853 199 HG12 ILE 26 2HG1 ILE 26 1.014 -17.583 -4.931 200 HG13 ILE 26 3HG1 ILE 26 1.563 -19.074 -5.687 201 HG21 ILE 26 1HG2 ILE 26 2.562 -15.435 -5.248 202 HG22 ILE 26 2HG2 ILE 26 2.811 -15.379 -6.992 203 HG23 ILE 26 3HG2 ILE 26 1.239 -15.841 -6.341 204 HD11 ILE 26 3HD1 ILE 26 2.209 -17.963 -3.105 205 HD12 ILE 26 1HD1 ILE 26 2.458 -19.593 -3.730 206 HD13 ILE 26 2HD1 ILE 26 3.658 -18.338 -4.037 207 H LYS 27 H LYS 27 1.228 -20.019 -7.915 208 HA LYS 27 HA LYS 27 -0.982 -18.675 -9.217 209 HB2 LYS 27 2HB LYS 27 -0.640 -21.579 -8.445 210 HB3 LYS 27 3HB LYS 27 -1.925 -20.933 -9.457 211 HG2 LYS 27 2HG LYS 27 -0.570 -20.689 -11.266 212 HG3 LYS 27 3HG LYS 27 0.873 -20.410 -10.288 213 HD2 LYS 27 2HD LYS 27 -0.467 -23.092 -10.322 214 HD3 LYS 27 3HD LYS 27 0.661 -22.629 -11.599 215 HE2 LYS 27 2HE LYS 27 2.000 -21.929 -9.299 216 HE3 LYS 27 3HE LYS 27 1.171 -23.416 -8.838 217 HZ1 LYS 27 3HZ LYS 27 2.953 -23.086 -11.192 218 HZ2 LYS 27 1HZ LYS 27 2.151 -24.511 -10.759 219 HZ3 LYS 27 2HZ LYS 27 3.353 -23.878 -9.752 220 H CYS 28 H CYS 28 -3.066 -18.483 -8.430 221 HA CYS 28 HA CYS 28 -3.385 -18.995 -5.545 222 HB2 CYS 28 2HB CYS 28 -4.798 -16.817 -7.081 223 HB3 CYS 28 3HB CYS 28 -4.681 -17.009 -5.335 224 HA PRO 29 HA PRO 29 -6.821 -21.550 -6.562 225 HB2 PRO 29 2HB PRO 29 -8.155 -21.436 -4.200 226 HB3 PRO 29 3HB PRO 29 -6.662 -22.358 -4.417 227 HG2 PRO 29 2HG PRO 29 -7.054 -19.640 -3.224 228 HG3 PRO 29 3HG PRO 29 -6.032 -20.974 -2.658 229 HD2 PRO 29 2HD PRO 29 -5.041 -18.862 -4.032 230 HD3 PRO 29 3HD PRO 29 -4.353 -20.493 -4.162 231 H LYS 30 H LYS 30 -9.380 -21.373 -5.664 232 HA LYS 30 HA LYS 30 -10.300 -18.846 -6.857 233 HB2 LYS 30 2HB LYS 30 -11.555 -21.586 -6.737 234 HB3 LYS 30 3HB LYS 30 -12.459 -20.153 -7.207 235 HG2 LYS 30 2HG LYS 30 -9.976 -20.393 -8.678 236 HG3 LYS 30 3HG LYS 30 -11.008 -21.812 -8.873 237 HD2 LYS 30 2HD LYS 30 -11.745 -20.421 -10.573 238 HD3 LYS 30 3HD LYS 30 -12.892 -20.074 -9.276 239 HE2 LYS 30 2HE LYS 30 -11.034 -18.246 -8.695 240 HE3 LYS 30 3HE LYS 30 -10.747 -18.385 -10.429 241 HZ1 LYS 30 3HZ LYS 30 -13.523 -18.126 -9.604 242 HZ2 LYS 30 1HZ LYS 30 -12.715 -17.437 -10.922 243 HZ3 LYS 30 2HZ LYS 30 -12.555 -16.756 -9.382 244 H PHE 31 H PHE 31 -9.681 -19.817 -3.938 245 HA PHE 31 HA PHE 31 -12.234 -19.348 -2.649 246 HB2 PHE 31 2HB PHE 31 -10.101 -20.850 -1.930 247 HB3 PHE 31 3HB PHE 31 -9.762 -19.380 -1.022 248 HD1 PHE 31 HD1 PHE 31 -12.809 -21.396 -1.802 249 HD2 PHE 31 HD2 PHE 31 -10.422 -19.490 1.162 250 HE1 PHE 31 HE1 PHE 31 -14.402 -22.107 -0.067 251 HE2 PHE 31 HE2 PHE 31 -12.011 -20.199 2.902 252 HZ PHE 31 HZ PHE 31 -14.004 -21.510 2.289 253 H ASP 32 H ASP 32 -12.179 -17.788 -0.707 254 HA ASP 32 HA ASP 32 -11.951 -15.177 -1.655 255 HB2 ASP 32 2HB ASP 32 -12.521 -16.462 0.925 256 HB3 ASP 32 3HB ASP 32 -11.813 -14.856 1.064 257 H ASN 33 H ASN 33 -10.544 -13.449 -0.973 258 HA ASN 33 HA ASN 33 -8.474 -12.509 -0.839 259 HB2 ASN 33 2HB ASN 33 -8.856 -13.290 1.533 260 HB3 ASN 33 3HB ASN 33 -7.885 -14.708 1.147 261 HD21 ASN 33 2HD2 ASN 33 -5.519 -12.488 2.691 262 HD22 ASN 33 1HD2 ASN 33 -6.824 -13.544 3.099 263 H LYS 34 H LYS 34 -8.938 -14.852 -2.680 264 HA LYS 34 HA LYS 34 -6.133 -15.233 -3.380 265 HB2 LYS 34 2HB LYS 34 -8.083 -17.488 -2.907 266 HB3 LYS 34 3HB LYS 34 -6.595 -17.683 -3.825 267 HG2 LYS 34 2HG LYS 34 -6.593 -16.630 -1.017 268 HG3 LYS 34 3HG LYS 34 -6.568 -18.359 -1.372 269 HD2 LYS 34 2HD LYS 34 -4.612 -17.199 -3.017 270 HD3 LYS 34 3HD LYS 34 -4.416 -16.455 -1.429 271 HE2 LYS 34 2HE LYS 34 -3.860 -18.431 -0.421 272 HE3 LYS 34 3HE LYS 34 -4.795 -19.400 -1.559 273 HZ1 LYS 34 3HZ LYS 34 -2.641 -19.870 -2.161 274 HZ2 LYS 34 1HZ LYS 34 -2.081 -18.304 -1.853 275 HZ3 LYS 34 2HZ LYS 34 -3.009 -18.614 -3.232 276 H LYS 35 H LYS 35 -8.231 -13.641 -4.513 277 HA LYS 35 HA LYS 35 -9.049 -15.033 -6.933 278 HB2 LYS 35 2HB LYS 35 -10.502 -13.256 -7.333 279 HB3 LYS 35 3HB LYS 35 -10.475 -13.351 -5.577 280 HG2 LYS 35 2HG LYS 35 -8.820 -11.526 -5.532 281 HG3 LYS 35 3HG LYS 35 -8.943 -11.404 -7.289 282 HD2 LYS 35 2HD LYS 35 -11.534 -11.220 -6.682 283 HD3 LYS 35 3HD LYS 35 -10.860 -10.580 -5.181 284 HE2 LYS 35 2HE LYS 35 -9.810 -8.801 -6.279 285 HE3 LYS 35 3HE LYS 35 -9.944 -9.577 -7.856 286 HZ1 LYS 35 3HZ LYS 35 -12.388 -9.299 -7.661 287 HZ2 LYS 35 1HZ LYS 35 -11.540 -7.836 -7.742 288 HZ3 LYS 35 2HZ LYS 35 -12.141 -8.384 -6.259 289 H CYS 36 H CYS 36 -8.519 -14.315 -9.042 290 HA CYS 36 HA CYS 36 -6.067 -12.687 -9.190 291 HB2 CYS 36 2HB CYS 36 -6.131 -15.340 -9.717 292 HB3 CYS 36 3HB CYS 36 -6.524 -14.701 -11.310 293 H THR 37 H THR 37 -5.967 -11.138 -10.741 294 HA THR 37 HA THR 37 -8.186 -10.972 -12.665 295 HB THR 37 HB THR 37 -7.185 -8.390 -11.635 296 HG1 THR 37 HG1 THR 37 -8.730 -8.652 -9.813 297 HG21 THR 37 3HG2 THR 37 -9.097 -7.687 -12.546 298 HG22 THR 37 1HG2 THR 37 -10.040 -8.823 -11.584 299 HG23 THR 37 2HG2 THR 37 -9.353 -9.332 -13.126 300 H LYS 38 H LYS 38 -7.565 -8.783 -14.058 301 HA LYS 38 HA LYS 38 -5.634 -9.540 -15.849 302 HB2 LYS 38 2HB LYS 38 -7.323 -7.334 -15.516 303 HB3 LYS 38 3HB LYS 38 -5.706 -6.651 -15.638 304 HG2 LYS 38 2HG LYS 38 -5.923 -6.798 -17.838 305 HG3 LYS 38 3HG LYS 38 -5.801 -8.550 -17.658 306 HD2 LYS 38 2HD LYS 38 -8.069 -8.863 -17.844 307 HD3 LYS 38 3HD LYS 38 -8.449 -7.247 -17.243 308 HE2 LYS 38 2HE LYS 38 -7.961 -6.245 -19.304 309 HE3 LYS 38 3HE LYS 38 -7.080 -7.658 -19.881 310 HZ1 LYS 38 3HZ LYS 38 -8.940 -8.561 -20.662 311 HZ2 LYS 38 1HZ LYS 38 -9.681 -7.058 -20.426 312 HZ3 LYS 38 2HZ LYS 38 -9.802 -8.256 -19.239 313 H ASP 39 H ASP 39 -3.520 -8.634 -16.344 314 HA ASP 39 HA ASP 39 -1.758 -8.763 -14.149 315 HB2 ASP 39 2HB ASP 39 -0.133 -7.736 -15.951 316 HB3 ASP 39 3HB ASP 39 -0.724 -9.387 -16.115 317 H ASN 40 H ASN 40 -2.570 -5.992 -16.247 318 HA ASN 40 HA ASN 40 -1.328 -4.142 -14.414 319 HB2 ASN 40 2HB ASN 40 -2.770 -3.859 -17.038 320 HB3 ASN 40 3HB ASN 40 -2.378 -2.444 -16.066 321 HD21 ASN 40 2HD2 ASN 40 0.904 -4.614 -17.116 322 HD22 ASN 40 1HD2 ASN 40 -0.437 -5.351 -16.313 323 H ASN 41 H ASN 41 -4.243 -5.705 -14.461 324 HA ASN 41 HA ASN 41 -6.186 -3.838 -13.896 325 HB2 ASN 41 2HB ASN 41 -6.785 -6.149 -14.121 326 HB3 ASN 41 3HB ASN 41 -5.778 -6.603 -12.750 327 HD21 ASN 41 2HD2 ASN 41 -8.244 -6.085 -10.398 328 HD22 ASN 41 1HD2 ASN 41 -6.666 -6.666 -10.796 329 H LYS 42 H LYS 42 -5.059 -5.768 -11.177 330 HA LYS 42 HA LYS 42 -4.139 -3.457 -9.707 331 HB2 LYS 42 2HB LYS 42 -6.722 -4.851 -9.050 332 HB3 LYS 42 3HB LYS 42 -5.784 -4.041 -7.802 333 HG2 LYS 42 2HG LYS 42 -5.875 -2.039 -9.513 334 HG3 LYS 42 3HG LYS 42 -7.313 -2.895 -10.075 335 HD2 LYS 42 2HD LYS 42 -8.346 -1.698 -8.467 336 HD3 LYS 42 3HD LYS 42 -7.710 -2.951 -7.398 337 HE2 LYS 42 2HE LYS 42 -5.629 -1.446 -7.228 338 HE3 LYS 42 3HE LYS 42 -6.664 -0.183 -7.893 339 HZ1 LYS 42 3HZ LYS 42 -7.614 -1.721 -5.581 340 HZ2 LYS 42 1HZ LYS 42 -7.951 -0.123 -6.022 341 HZ3 LYS 42 2HZ LYS 42 -6.457 -0.512 -5.332 342 H CYS 43 H CYS 43 -2.929 -5.885 -10.568 343 HA CYS 43 HA CYS 43 -2.773 -7.681 -8.325 344 HB2 CYS 43 2HB CYS 43 -2.463 -8.692 -10.445 345 HB3 CYS 43 3HB CYS 43 -1.288 -7.478 -10.939 346 H THR 44 H THR 44 -1.430 -7.578 -6.646 347 HA THR 44 HA THR 44 1.087 -6.135 -6.844 348 HB THR 44 HB THR 44 0.105 -5.237 -4.392 349 HG1 THR 44 HG1 THR 44 -1.827 -4.813 -6.448 350 HG21 THR 44 3HG2 THR 44 1.051 -4.156 -6.900 351 HG22 THR 44 1HG2 THR 44 1.255 -3.534 -5.263 352 HG23 THR 44 2HG2 THR 44 -0.189 -3.124 -6.189 353 H VAL 45 H VAL 45 2.455 -6.451 -4.922 354 HA VAL 45 HA VAL 45 1.919 -9.073 -3.704 355 HB VAL 45 HB VAL 45 3.967 -9.068 -4.957 356 HG11 VAL 45 1HG1 VAL 45 5.152 -7.213 -5.229 357 HG12 VAL 45 2HG1 VAL 45 4.177 -6.392 -4.009 358 HG13 VAL 45 3HG1 VAL 45 5.628 -7.274 -3.532 359 HG21 VAL 45 3HG2 VAL 45 5.231 -8.823 -2.330 360 HG22 VAL 45 1HG2 VAL 45 3.772 -9.815 -2.335 361 HG23 VAL 45 2HG2 VAL 45 5.114 -10.214 -3.408 362 H ASP 46 H ASP 46 1.196 -9.019 -1.689 363 HA ASP 46 HA ASP 46 2.364 -7.083 0.183 364 HB2 ASP 46 2HB ASP 46 -0.588 -7.729 0.065 365 HB3 ASP 46 3HB ASP 46 0.200 -6.595 1.159 366 H THR 47 H THR 47 2.227 -7.716 2.419 367 HA THR 47 HA THR 47 1.505 -10.500 2.938 368 HB THR 47 HB THR 47 3.819 -10.412 4.340 369 HG1 THR 47 HG1 THR 47 4.832 -8.689 3.552 370 HG21 THR 47 3HG2 THR 47 2.796 -11.781 2.100 371 HG22 THR 47 1HG2 THR 47 4.125 -12.270 3.149 372 HG23 THR 47 2HG2 THR 47 4.451 -11.324 1.697 373 H TYR 48 H TYR 48 1.029 -7.470 3.748 374 HA TYR 48 HA TYR 48 1.439 -7.544 6.595 375 HB2 TYR 48 2HB TYR 48 0.158 -5.608 4.692 376 HB3 TYR 48 3HB TYR 48 -0.074 -5.429 6.427 377 HD1 TYR 48 HD1 TYR 48 2.187 -5.535 7.831 378 HD2 TYR 48 HD2 TYR 48 1.919 -4.481 3.718 379 HE1 TYR 48 HE1 TYR 48 4.337 -4.353 8.000 380 HE2 TYR 48 HE2 TYR 48 4.069 -3.297 3.875 381 HH TYR 48 HH TYR 48 5.376 -2.167 6.244 382 H ASN 49 H ASN 49 -1.327 -7.830 4.401 383 HA ASN 49 HA ASN 49 -3.059 -8.497 6.667 384 HB2 ASN 49 2HB ASN 49 -3.546 -7.620 3.846 385 HB3 ASN 49 3HB ASN 49 -4.804 -8.512 4.696 386 HD21 ASN 49 2HD2 ASN 49 -5.158 -4.805 5.144 387 HD22 ASN 49 1HD2 ASN 49 -4.917 -5.812 3.761 388 H ASN 50 H ASN 50 -0.942 -10.173 5.054 389 HA ASN 50 HA ASN 50 -0.639 -12.396 4.660 390 HB2 ASN 50 2HB ASN 50 -1.635 -13.449 6.375 391 HB3 ASN 50 3HB ASN 50 -2.977 -12.309 6.390 392 HD21 ASN 50 2HD2 ASN 50 -5.116 -14.296 4.443 393 HD22 ASN 50 1HD2 ASN 50 -4.753 -12.691 4.971 394 H ALA 51 H ALA 51 -2.623 -10.449 3.042 395 HA ALA 51 HA ALA 51 -4.115 -12.222 1.398 396 HB1 ALA 51 1HB ALA 51 -3.757 -9.396 1.652 397 HB2 ALA 51 2HB ALA 51 -3.622 -9.858 -0.045 398 HB3 ALA 51 3HB ALA 51 -5.065 -10.288 0.874 399 H VAL 52 H VAL 52 -3.684 -13.034 -0.629 400 HA VAL 52 HA VAL 52 -0.887 -13.370 -1.277 401 HB VAL 52 HB VAL 52 -2.587 -15.226 -1.425 402 HG11 VAL 52 1HG1 VAL 52 -3.966 -15.354 -3.435 403 HG12 VAL 52 2HG1 VAL 52 -4.388 -13.940 -2.467 404 HG13 VAL 52 3HG1 VAL 52 -3.412 -13.753 -3.925 405 HG21 VAL 52 3HG2 VAL 52 -1.324 -14.886 -4.106 406 HG22 VAL 52 1HG2 VAL 52 -0.299 -14.985 -2.674 407 HG23 VAL 52 2HG2 VAL 52 -1.395 -16.310 -3.068 408 H ASP 53 H ASP 53 -0.028 -13.008 -3.424 409 HA ASP 53 HA ASP 53 -0.906 -10.458 -4.489 410 HB2 ASP 53 2HB ASP 53 1.305 -11.923 -5.809 411 HB3 ASP 53 3HB ASP 53 1.200 -10.232 -5.327 412 H CYS 54 H CYS 54 -2.771 -10.780 -5.631 413 HA CYS 54 HA CYS 54 -2.498 -11.916 -8.251 414 HB2 CYS 54 2HB CYS 54 -3.962 -13.372 -6.110 415 HB3 CYS 54 3HB CYS 54 -4.714 -13.315 -7.701 416 H ASP 55 H ASP 55 -3.546 -10.584 -9.558 417 HA ASP 55 HA ASP 55 -6.200 -9.848 -9.414 418 HB2 ASP 55 2HB ASP 55 -4.497 -8.251 -7.668 419 HB3 ASP 55 3HB ASP 55 -5.359 -7.264 -8.846 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -0.261 -1.839 -0.602 2 HA ALA 1 HA ALA 1 1.316 -0.657 -1.809 3 HB1 ALA 1 1HB ALA 1 1.298 0.663 0.898 4 HB2 ALA 1 2HB ALA 1 2.032 1.376 -0.539 5 HB3 ALA 1 3HB ALA 1 0.298 1.058 -0.500 6 H LYS 2 H LYS 2 2.927 -2.216 -2.184 7 HA LYS 2 HA LYS 2 5.387 -1.741 -0.661 8 HB2 LYS 2 2HB LYS 2 4.029 -4.364 -1.126 9 HB3 LYS 2 3HB LYS 2 5.786 -4.312 -1.091 10 HG2 LYS 2 2HG LYS 2 5.054 -2.873 1.146 11 HG3 LYS 2 3HG LYS 2 3.877 -4.187 1.086 12 HD2 LYS 2 2HD LYS 2 6.855 -4.594 0.866 13 HD3 LYS 2 3HD LYS 2 5.962 -4.693 2.385 14 HE2 LYS 2 2HE LYS 2 5.898 -6.890 1.816 15 HE3 LYS 2 3HE LYS 2 4.470 -6.353 0.933 16 HZ1 LYS 2 3HZ LYS 2 5.572 -6.438 -1.074 17 HZ2 LYS 2 1HZ LYS 2 6.237 -7.769 -0.268 18 HZ3 LYS 2 2HZ LYS 2 7.109 -6.324 -0.375 19 H TYR 3 H TYR 3 4.516 -3.997 -3.267 20 HA TYR 3 HA TYR 3 6.335 -2.525 -5.052 21 HB2 TYR 3 2HB TYR 3 6.835 -5.048 -3.984 22 HB3 TYR 3 3HB TYR 3 6.250 -5.377 -5.611 23 HD1 TYR 3 HD1 TYR 3 7.566 -4.832 -7.534 24 HD2 TYR 3 HD2 TYR 3 8.875 -3.691 -3.650 25 HE1 TYR 3 HE1 TYR 3 9.785 -4.292 -8.447 26 HE2 TYR 3 HE2 TYR 3 11.097 -3.148 -4.552 27 HH TYR 3 HH TYR 3 11.755 -2.606 -7.619 28 H THR 4 H THR 4 5.960 -2.952 -7.356 29 HA THR 4 HA THR 4 3.092 -3.200 -7.882 30 HB THR 4 HB THR 4 4.422 -2.524 -10.269 31 HG1 THR 4 HG1 THR 4 5.354 -0.939 -8.089 32 HG21 THR 4 3HG2 THR 4 2.201 -1.750 -9.355 33 HG22 THR 4 1HG2 THR 4 3.186 -0.496 -10.107 34 HG23 THR 4 2HG2 THR 4 3.098 -0.614 -8.349 35 H GLY 5 H GLY 5 2.351 -5.116 -8.505 36 HA2 GLY 5 2HA GLY 5 4.085 -6.783 -10.223 37 HA3 GLY 5 3HA GLY 5 3.076 -7.466 -8.957 38 H LYS 6 H LYS 6 2.760 -8.529 -11.369 39 HA LYS 6 HA LYS 6 0.096 -7.601 -12.131 40 HB2 LYS 6 2HB LYS 6 0.576 -7.113 -14.282 41 HB3 LYS 6 3HB LYS 6 2.213 -6.890 -13.679 42 HG2 LYS 6 2HG LYS 6 1.230 -9.531 -14.712 43 HG3 LYS 6 3HG LYS 6 1.938 -8.302 -15.762 44 HD2 LYS 6 2HD LYS 6 3.526 -8.832 -13.373 45 HD3 LYS 6 3HD LYS 6 3.323 -10.251 -14.404 46 HE2 LYS 6 2HE LYS 6 4.308 -9.180 -16.249 47 HE3 LYS 6 3HE LYS 6 4.148 -7.585 -15.515 48 HZ1 LYS 6 3HZ LYS 6 6.318 -9.347 -15.373 49 HZ2 LYS 6 1HZ LYS 6 5.688 -9.181 -13.812 50 HZ3 LYS 6 2HZ LYS 6 6.169 -7.811 -14.679 51 H CYS 7 H CYS 7 -1.302 -9.226 -12.498 52 HA CYS 7 HA CYS 7 -0.196 -11.951 -12.705 53 HB2 CYS 7 2HB CYS 7 -1.281 -12.422 -10.807 54 HB3 CYS 7 3HB CYS 7 -2.026 -10.826 -10.783 55 H THR 8 H THR 8 -1.165 -13.375 -14.119 56 HA THR 8 HA THR 8 -2.989 -12.144 -16.067 57 HB THR 8 HB THR 8 -0.943 -12.924 -17.082 58 HG1 THR 8 HG1 THR 8 -2.994 -13.323 -18.177 59 HG21 THR 8 3HG2 THR 8 -1.180 -15.753 -16.789 60 HG22 THR 8 1HG2 THR 8 -1.151 -15.019 -15.187 61 HG23 THR 8 2HG2 THR 8 0.159 -14.705 -16.325 62 H LYS 9 H LYS 9 -5.048 -12.730 -16.020 63 HA LYS 9 HA LYS 9 -6.125 -14.650 -14.311 64 HB2 LYS 9 2HB LYS 9 -7.339 -12.731 -15.419 65 HB3 LYS 9 3HB LYS 9 -7.394 -13.704 -16.883 66 HG2 LYS 9 2HG LYS 9 -8.409 -14.966 -14.411 67 HG3 LYS 9 3HG LYS 9 -9.368 -13.650 -15.092 68 HD2 LYS 9 2HD LYS 9 -8.674 -15.221 -17.281 69 HD3 LYS 9 3HD LYS 9 -9.059 -16.380 -16.007 70 HE2 LYS 9 2HE LYS 9 -11.105 -14.685 -15.685 71 HE3 LYS 9 3HE LYS 9 -10.797 -14.431 -17.403 72 HZ1 LYS 9 3HZ LYS 9 -12.247 -16.472 -16.286 73 HZ2 LYS 9 1HZ LYS 9 -10.788 -17.200 -16.738 74 HZ3 LYS 9 2HZ LYS 9 -11.715 -16.376 -17.889 75 H SER 10 H SER 10 -4.644 -15.009 -17.385 76 HA SER 10 HA SER 10 -5.898 -17.359 -18.288 77 HB2 SER 10 2HB SER 10 -3.988 -15.684 -19.299 78 HB3 SER 10 3HB SER 10 -3.030 -17.113 -18.913 79 HG SER 10 HG SER 10 -4.871 -18.245 -20.064 80 H LYS 11 H LYS 11 -3.045 -16.850 -16.252 81 HA LYS 11 HA LYS 11 -2.975 -19.738 -15.701 82 HB2 LYS 11 2HB LYS 11 -0.927 -17.717 -16.060 83 HB3 LYS 11 3HB LYS 11 -0.728 -18.559 -14.529 84 HG2 LYS 11 2HG LYS 11 -1.125 -20.065 -17.087 85 HG3 LYS 11 3HG LYS 11 0.468 -19.486 -16.594 86 HD2 LYS 11 2HD LYS 11 -0.639 -20.718 -14.330 87 HD3 LYS 11 3HD LYS 11 -1.001 -21.787 -15.687 88 HE2 LYS 11 2HE LYS 11 1.718 -20.718 -14.937 89 HE3 LYS 11 3HE LYS 11 1.137 -22.359 -14.663 90 HZ1 LYS 11 3HZ LYS 11 1.423 -21.102 -17.337 91 HZ2 LYS 11 1HZ LYS 11 1.000 -22.709 -17.018 92 HZ3 LYS 11 2HZ LYS 11 2.553 -22.153 -16.645 93 H ASN 12 H ASN 12 -4.192 -16.951 -14.445 94 HA ASN 12 HA ASN 12 -4.883 -16.261 -12.387 95 HB2 ASN 12 2HB ASN 12 -5.670 -18.880 -12.730 96 HB3 ASN 12 3HB ASN 12 -4.877 -18.921 -11.158 97 HD21 ASN 12 2HD2 ASN 12 -7.825 -17.900 -9.690 98 HD22 ASN 12 1HD2 ASN 12 -6.523 -19.032 -9.779 99 H GLU 13 H GLU 13 -2.176 -16.000 -12.673 100 HA GLU 13 HA GLU 13 -1.287 -16.340 -9.916 101 HB2 GLU 13 2HB GLU 13 0.815 -17.318 -10.489 102 HB3 GLU 13 3HB GLU 13 -0.438 -18.294 -11.244 103 HG2 GLU 13 2HG GLU 13 -0.009 -16.865 -13.331 104 HG3 GLU 13 3HG GLU 13 1.481 -16.387 -12.521 105 H CYS 14 H CYS 14 0.623 -15.021 -9.413 106 HA CYS 14 HA CYS 14 0.854 -12.692 -11.204 107 HB2 CYS 14 2HB CYS 14 -0.417 -12.439 -8.941 108 HB3 CYS 14 3HB CYS 14 1.194 -12.464 -8.231 109 H LYS 15 H LYS 15 2.868 -11.850 -11.549 110 HA LYS 15 HA LYS 15 5.141 -12.732 -9.999 111 HB2 LYS 15 2HB LYS 15 6.290 -13.916 -11.658 112 HB3 LYS 15 3HB LYS 15 4.642 -14.517 -11.786 113 HG2 LYS 15 2HG LYS 15 5.839 -12.383 -13.542 114 HG3 LYS 15 3HG LYS 15 5.685 -14.088 -13.972 115 HD2 LYS 15 2HD LYS 15 3.187 -13.791 -13.491 116 HD3 LYS 15 3HD LYS 15 3.514 -12.057 -13.538 117 HE2 LYS 15 2HE LYS 15 3.858 -12.047 -15.779 118 HE3 LYS 15 3HE LYS 15 4.572 -13.659 -15.784 119 HZ1 LYS 15 3HZ LYS 15 1.986 -12.944 -16.504 120 HZ2 LYS 15 1HZ LYS 15 1.853 -13.840 -15.075 121 HZ3 LYS 15 2HZ LYS 15 2.641 -14.501 -16.417 122 H TYR 16 H TYR 16 6.778 -11.278 -10.046 123 HA TYR 16 HA TYR 16 6.919 -9.312 -12.188 124 HB2 TYR 16 2HB TYR 16 5.353 -8.432 -10.394 125 HB3 TYR 16 3HB TYR 16 6.745 -8.392 -9.317 126 HD1 TYR 16 HD1 TYR 16 8.253 -6.585 -9.364 127 HD2 TYR 16 HD2 TYR 16 5.417 -7.032 -12.504 128 HE1 TYR 16 HE1 TYR 16 8.853 -4.357 -10.215 129 HE2 TYR 16 HE2 TYR 16 6.010 -4.806 -13.364 130 HH TYR 16 HH TYR 16 7.936 -3.248 -13.269 131 H LYS 17 H LYS 17 8.870 -7.937 -12.001 132 HA LYS 17 HA LYS 17 11.104 -9.545 -11.060 133 HB2 LYS 17 2HB LYS 17 10.712 -7.974 -13.297 134 HB3 LYS 17 3HB LYS 17 11.747 -6.971 -12.289 135 HG2 LYS 17 2HG LYS 17 13.249 -9.008 -12.069 136 HG3 LYS 17 3HG LYS 17 12.301 -9.709 -13.384 137 HD2 LYS 17 2HD LYS 17 14.076 -8.720 -14.505 138 HD3 LYS 17 3HD LYS 17 12.817 -7.487 -14.613 139 HE2 LYS 17 2HE LYS 17 14.475 -7.279 -12.214 140 HE3 LYS 17 3HE LYS 17 15.374 -7.081 -13.717 141 HZ1 LYS 17 3HZ LYS 17 14.361 -5.141 -14.168 142 HZ2 LYS 17 1HZ LYS 17 14.079 -5.102 -12.500 143 HZ3 LYS 17 2HZ LYS 17 12.865 -5.633 -13.551 144 H ASN 18 H ASN 18 12.292 -9.114 -9.308 145 HA ASN 18 HA ASN 18 11.816 -6.557 -7.922 146 HB2 ASN 18 2HB ASN 18 11.933 -7.630 -5.856 147 HB3 ASN 18 3HB ASN 18 11.082 -8.811 -6.848 148 HD21 ASN 18 2HD2 ASN 18 13.842 -11.058 -7.013 149 HD22 ASN 18 1HD2 ASN 18 12.544 -10.416 -7.956 150 H SER 19 H SER 19 13.806 -6.566 -6.091 151 HA SER 19 HA SER 19 15.996 -5.560 -7.460 152 HB2 SER 19 2HB SER 19 15.324 -6.155 -4.698 153 HB3 SER 19 3HB SER 19 17.032 -6.450 -5.023 154 HG SER 19 HG SER 19 17.164 -4.363 -4.755 155 H ALA 20 H ALA 20 15.405 -8.819 -6.257 156 HA ALA 20 HA ALA 20 17.992 -9.845 -6.769 157 HB1 ALA 20 1HB ALA 20 15.962 -11.866 -7.017 158 HB2 ALA 20 2HB ALA 20 17.166 -11.636 -5.749 159 HB3 ALA 20 3HB ALA 20 15.613 -10.804 -5.652 160 H GLY 21 H GLY 21 15.116 -9.472 -8.746 161 HA2 GLY 21 2HA GLY 21 15.063 -9.374 -11.081 162 HA3 GLY 21 3HA GLY 21 16.701 -10.009 -11.122 163 H LYS 22 H LYS 22 15.365 -12.059 -9.086 164 HA LYS 22 HA LYS 22 15.041 -14.109 -11.058 165 HB2 LYS 22 2HB LYS 22 16.043 -14.611 -8.891 166 HB3 LYS 22 3HB LYS 22 14.561 -14.137 -8.072 167 HG2 LYS 22 2HG LYS 22 14.165 -16.202 -10.095 168 HG3 LYS 22 3HG LYS 22 15.244 -16.684 -8.784 169 HD2 LYS 22 2HD LYS 22 12.871 -15.276 -7.846 170 HD3 LYS 22 3HD LYS 22 12.489 -16.757 -8.727 171 HE2 LYS 22 2HE LYS 22 13.530 -18.102 -7.188 172 HE3 LYS 22 3HE LYS 22 14.648 -16.837 -6.679 173 HZ1 LYS 22 3HZ LYS 22 12.208 -17.591 -5.506 174 HZ2 LYS 22 1HZ LYS 22 12.077 -15.988 -6.033 175 HZ3 LYS 22 2HZ LYS 22 13.320 -16.432 -4.975 176 H ASP 23 H ASP 23 13.261 -14.386 -12.215 177 HA ASP 23 HA ASP 23 10.790 -13.165 -11.676 178 HB2 ASP 23 2HB ASP 23 9.936 -14.864 -13.408 179 HB3 ASP 23 3HB ASP 23 11.180 -13.729 -13.924 180 H THR 24 H THR 24 9.445 -13.617 -10.074 181 HA THR 24 HA THR 24 9.181 -16.421 -9.203 182 HB THR 24 HB THR 24 10.121 -15.096 -7.415 183 HG1 THR 24 HG1 THR 24 7.352 -15.453 -6.854 184 HG21 THR 24 3HG2 THR 24 9.245 -12.902 -8.277 185 HG22 THR 24 1HG2 THR 24 9.105 -13.122 -6.533 186 HG23 THR 24 2HG2 THR 24 7.688 -13.320 -7.563 187 H PHE 25 H PHE 25 7.282 -17.339 -9.589 188 HA PHE 25 HA PHE 25 4.896 -15.624 -9.776 189 HB2 PHE 25 2HB PHE 25 4.063 -16.929 -11.621 190 HB3 PHE 25 3HB PHE 25 5.692 -16.396 -12.020 191 HD1 PHE 25 HD1 PHE 25 3.560 -19.247 -11.258 192 HD2 PHE 25 HD2 PHE 25 7.538 -17.980 -12.088 193 HE1 PHE 25 HE1 PHE 25 4.208 -21.579 -11.699 194 HE2 PHE 25 HE2 PHE 25 8.192 -20.310 -12.531 195 HZ PHE 25 HZ PHE 25 6.525 -22.114 -12.337 196 H ILE 26 H ILE 26 3.017 -16.415 -8.897 197 HA ILE 26 HA ILE 26 3.058 -19.103 -7.733 198 HB ILE 26 HB ILE 26 3.775 -17.637 -5.927 199 HG12 ILE 26 2HG1 ILE 26 1.180 -17.959 -4.794 200 HG13 ILE 26 3HG1 ILE 26 1.459 -19.304 -5.895 201 HG21 ILE 26 1HG2 ILE 26 2.214 -15.735 -7.095 202 HG22 ILE 26 2HG2 ILE 26 1.247 -16.179 -5.689 203 HG23 ILE 26 3HG2 ILE 26 2.905 -15.619 -5.476 204 HD11 ILE 26 3HD1 ILE 26 2.823 -18.604 -3.363 205 HD12 ILE 26 1HD1 ILE 26 2.341 -20.177 -3.999 206 HD13 ILE 26 2HD1 ILE 26 3.779 -19.374 -4.630 207 H LYS 27 H LYS 27 1.241 -20.156 -8.168 208 HA LYS 27 HA LYS 27 -0.980 -18.780 -9.385 209 HB2 LYS 27 2HB LYS 27 -1.866 -20.943 -9.851 210 HB3 LYS 27 3HB LYS 27 -0.130 -21.036 -10.116 211 HG2 LYS 27 2HG LYS 27 -0.374 -21.764 -7.484 212 HG3 LYS 27 3HG LYS 27 -1.815 -22.467 -8.222 213 HD2 LYS 27 2HD LYS 27 -0.399 -23.538 -9.924 214 HD3 LYS 27 3HD LYS 27 1.033 -22.860 -9.145 215 HE2 LYS 27 2HE LYS 27 0.029 -24.058 -7.025 216 HE3 LYS 27 3HE LYS 27 -0.775 -25.050 -8.241 217 HZ1 LYS 27 3HZ LYS 27 1.924 -24.776 -8.949 218 HZ2 LYS 27 1HZ LYS 27 1.091 -26.181 -8.509 219 HZ3 LYS 27 2HZ LYS 27 1.854 -25.246 -7.325 220 H CYS 28 H CYS 28 -3.041 -18.542 -8.580 221 HA CYS 28 HA CYS 28 -3.375 -19.136 -5.712 222 HB2 CYS 28 2HB CYS 28 -4.752 -16.887 -7.176 223 HB3 CYS 28 3HB CYS 28 -4.612 -17.126 -5.437 224 HA PRO 29 HA PRO 29 -6.882 -21.568 -6.778 225 HB2 PRO 29 2HB PRO 29 -8.247 -21.428 -4.436 226 HB3 PRO 29 3HB PRO 29 -6.778 -22.390 -4.635 227 HG2 PRO 29 2HG PRO 29 -7.111 -19.668 -3.435 228 HG3 PRO 29 3HG PRO 29 -6.136 -21.033 -2.859 229 HD2 PRO 29 2HD PRO 29 -5.065 -18.943 -4.208 230 HD3 PRO 29 3HD PRO 29 -4.421 -20.592 -4.335 231 H LYS 30 H LYS 30 -9.448 -21.328 -5.928 232 HA LYS 30 HA LYS 30 -10.278 -18.766 -7.113 233 HB2 LYS 30 2HB LYS 30 -11.663 -21.448 -7.008 234 HB3 LYS 30 3HB LYS 30 -12.441 -19.975 -7.573 235 HG2 LYS 30 2HG LYS 30 -9.905 -21.030 -8.786 236 HG3 LYS 30 3HG LYS 30 -11.508 -21.516 -9.343 237 HD2 LYS 30 2HD LYS 30 -10.687 -18.630 -9.142 238 HD3 LYS 30 3HD LYS 30 -10.376 -19.597 -10.585 239 HE2 LYS 30 2HE LYS 30 -12.420 -19.018 -11.261 240 HE3 LYS 30 3HE LYS 30 -13.036 -20.097 -10.011 241 HZ1 LYS 30 3HZ LYS 30 -13.197 -18.276 -8.496 242 HZ2 LYS 30 1HZ LYS 30 -13.977 -17.829 -9.929 243 HZ3 LYS 30 2HZ LYS 30 -12.437 -17.223 -9.579 244 H PHE 31 H PHE 31 -9.738 -19.776 -4.193 245 HA PHE 31 HA PHE 31 -12.300 -19.258 -2.945 246 HB2 PHE 31 2HB PHE 31 -10.210 -20.809 -2.201 247 HB3 PHE 31 3HB PHE 31 -9.859 -19.353 -1.275 248 HD1 PHE 31 HD1 PHE 31 -10.855 -19.048 0.782 249 HD2 PHE 31 HD2 PHE 31 -12.635 -21.721 -2.011 250 HE1 PHE 31 HE1 PHE 31 -12.489 -19.737 2.488 251 HE2 PHE 31 HE2 PHE 31 -14.272 -22.414 -0.310 252 HZ PHE 31 HZ PHE 31 -14.201 -21.421 1.942 253 H ASP 32 H ASP 32 -12.206 -17.723 -0.964 254 HA ASP 32 HA ASP 32 -11.944 -15.107 -1.886 255 HB2 ASP 32 2HB ASP 32 -12.367 -16.378 0.769 256 HB3 ASP 32 3HB ASP 32 -11.854 -14.692 0.760 257 H ASN 33 H ASN 33 -10.500 -13.411 -1.219 258 HA ASN 33 HA ASN 33 -8.417 -12.503 -1.088 259 HB2 ASN 33 2HB ASN 33 -8.823 -13.413 1.280 260 HB3 ASN 33 3HB ASN 33 -7.731 -14.721 0.832 261 HD21 ASN 33 2HD2 ASN 33 -5.661 -12.251 2.505 262 HD22 ASN 33 1HD2 ASN 33 -6.925 -13.363 2.892 263 H LYS 34 H LYS 34 -8.945 -14.847 -2.932 264 HA LYS 34 HA LYS 34 -6.148 -15.266 -3.665 265 HB2 LYS 34 2HB LYS 34 -8.146 -17.526 -3.454 266 HB3 LYS 34 3HB LYS 34 -6.496 -17.660 -4.048 267 HG2 LYS 34 2HG LYS 34 -7.106 -16.694 -1.275 268 HG3 LYS 34 3HG LYS 34 -6.954 -18.410 -1.661 269 HD2 LYS 34 2HD LYS 34 -4.706 -17.595 -2.786 270 HD3 LYS 34 3HD LYS 34 -4.883 -16.270 -1.633 271 HE2 LYS 34 2HE LYS 34 -3.524 -18.040 -0.680 272 HE3 LYS 34 3HE LYS 34 -5.049 -17.903 0.195 273 HZ1 LYS 34 3HZ LYS 34 -5.882 -19.825 -0.870 274 HZ2 LYS 34 1HZ LYS 34 -4.324 -20.219 -0.340 275 HZ3 LYS 34 2HZ LYS 34 -4.600 -19.874 -1.973 276 H LYS 35 H LYS 35 -8.212 -13.592 -4.753 277 HA LYS 35 HA LYS 35 -9.054 -14.906 -7.210 278 HB2 LYS 35 2HB LYS 35 -10.485 -13.103 -7.557 279 HB3 LYS 35 3HB LYS 35 -10.454 -13.239 -5.804 280 HG2 LYS 35 2HG LYS 35 -8.784 -11.436 -5.715 281 HG3 LYS 35 3HG LYS 35 -8.890 -11.277 -7.470 282 HD2 LYS 35 2HD LYS 35 -10.901 -10.236 -7.385 283 HD3 LYS 35 3HD LYS 35 -11.446 -11.171 -5.991 284 HE2 LYS 35 2HE LYS 35 -9.658 -9.791 -4.704 285 HE3 LYS 35 3HE LYS 35 -9.771 -8.693 -6.078 286 HZ1 LYS 35 3HZ LYS 35 -11.388 -8.672 -3.899 287 HZ2 LYS 35 1HZ LYS 35 -12.333 -9.473 -5.052 288 HZ3 LYS 35 2HZ LYS 35 -11.728 -7.929 -5.381 289 H CYS 36 H CYS 36 -8.490 -14.170 -9.293 290 HA CYS 36 HA CYS 36 -6.026 -12.556 -9.395 291 HB2 CYS 36 2HB CYS 36 -6.119 -15.196 -9.984 292 HB3 CYS 36 3HB CYS 36 -6.492 -14.514 -11.564 293 H THR 37 H THR 37 -5.891 -10.987 -10.931 294 HA THR 37 HA THR 37 -8.111 -10.746 -12.845 295 HB THR 37 HB THR 37 -7.088 -8.184 -11.829 296 HG1 THR 37 HG1 THR 37 -8.822 -9.683 -10.149 297 HG21 THR 37 3HG2 THR 37 -9.624 -9.394 -12.752 298 HG22 THR 37 1HG2 THR 37 -8.922 -7.818 -13.116 299 HG23 THR 37 2HG2 THR 37 -9.761 -8.078 -11.587 300 H LYS 38 H LYS 38 -7.436 -8.513 -14.172 301 HA LYS 38 HA LYS 38 -5.498 -9.297 -15.972 302 HB2 LYS 38 2HB LYS 38 -7.206 -7.101 -15.663 303 HB3 LYS 38 3HB LYS 38 -5.593 -6.408 -15.772 304 HG2 LYS 38 2HG LYS 38 -5.626 -8.292 -17.789 305 HG3 LYS 38 3HG LYS 38 -7.250 -7.600 -17.830 306 HD2 LYS 38 2HD LYS 38 -4.692 -5.999 -17.851 307 HD3 LYS 38 3HD LYS 38 -5.640 -6.403 -19.284 308 HE2 LYS 38 2HE LYS 38 -7.590 -5.257 -18.188 309 HE3 LYS 38 3HE LYS 38 -6.472 -4.696 -16.945 310 HZ1 LYS 38 3HZ LYS 38 -5.150 -3.848 -19.007 311 HZ2 LYS 38 1HZ LYS 38 -6.444 -2.947 -18.393 312 HZ3 LYS 38 2HZ LYS 38 -6.661 -3.911 -19.766 313 H ASP 39 H ASP 39 -3.362 -8.555 -16.403 314 HA ASP 39 HA ASP 39 -1.607 -8.658 -14.258 315 HB2 ASP 39 2HB ASP 39 -0.012 -7.476 -15.990 316 HB3 ASP 39 3HB ASP 39 -0.571 -9.124 -16.267 317 H ASN 40 H ASN 40 -2.495 -5.769 -16.156 318 HA ASN 40 HA ASN 40 -1.298 -4.029 -14.181 319 HB2 ASN 40 2HB ASN 40 -2.665 -3.600 -16.823 320 HB3 ASN 40 3HB ASN 40 -2.356 -2.241 -15.746 321 HD21 ASN 40 2HD2 ASN 40 1.034 -4.233 -16.806 322 HD22 ASN 40 1HD2 ASN 40 -0.309 -5.063 -16.103 323 H ASN 41 H ASN 41 -4.148 -5.654 -14.329 324 HA ASN 41 HA ASN 41 -6.176 -3.895 -13.744 325 HB2 ASN 41 2HB ASN 41 -6.531 -6.304 -14.017 326 HB3 ASN 41 3HB ASN 41 -5.697 -6.611 -12.496 327 HD21 ASN 41 2HD2 ASN 41 -8.451 -5.999 -10.493 328 HD22 ASN 41 1HD2 ASN 41 -6.778 -6.413 -10.613 329 H LYS 42 H LYS 42 -5.015 -5.812 -11.033 330 HA LYS 42 HA LYS 42 -4.201 -3.484 -9.523 331 HB2 LYS 42 2HB LYS 42 -6.745 -4.975 -8.939 332 HB3 LYS 42 3HB LYS 42 -5.852 -4.179 -7.649 333 HG2 LYS 42 2HG LYS 42 -5.972 -2.096 -9.175 334 HG3 LYS 42 3HG LYS 42 -7.273 -2.972 -9.984 335 HD2 LYS 42 2HD LYS 42 -7.244 -2.593 -7.005 336 HD3 LYS 42 3HD LYS 42 -7.906 -1.366 -8.087 337 HE2 LYS 42 2HE LYS 42 -9.825 -2.501 -7.936 338 HE3 LYS 42 3HE LYS 42 -9.067 -3.678 -9.007 339 HZ1 LYS 42 3HZ LYS 42 -8.980 -5.176 -7.384 340 HZ2 LYS 42 1HZ LYS 42 -10.027 -4.175 -6.509 341 HZ3 LYS 42 2HZ LYS 42 -8.357 -4.072 -6.263 342 H CYS 43 H CYS 43 -2.892 -5.860 -10.400 343 HA CYS 43 HA CYS 43 -2.692 -7.667 -8.168 344 HB2 CYS 43 2HB CYS 43 -2.334 -8.650 -10.295 345 HB3 CYS 43 3HB CYS 43 -1.193 -7.395 -10.768 346 H THR 44 H THR 44 -1.358 -7.538 -6.483 347 HA THR 44 HA THR 44 1.103 -5.998 -6.652 348 HB THR 44 HB THR 44 -0.079 -5.240 -4.176 349 HG1 THR 44 HG1 THR 44 -1.646 -4.261 -6.308 350 HG21 THR 44 3HG2 THR 44 1.122 -4.000 -6.551 351 HG22 THR 44 1HG2 THR 44 1.379 -3.657 -4.841 352 HG23 THR 44 2HG2 THR 44 -0.012 -2.969 -5.679 353 H VAL 45 H VAL 45 2.469 -6.280 -4.720 354 HA VAL 45 HA VAL 45 2.030 -8.936 -3.537 355 HB VAL 45 HB VAL 45 4.080 -8.852 -4.774 356 HG11 VAL 45 1HG1 VAL 45 4.188 -6.169 -3.801 357 HG12 VAL 45 2HG1 VAL 45 5.684 -7.003 -3.372 358 HG13 VAL 45 3HG1 VAL 45 5.162 -6.935 -5.056 359 HG21 VAL 45 3HG2 VAL 45 5.244 -9.967 -3.221 360 HG22 VAL 45 1HG2 VAL 45 5.353 -8.558 -2.167 361 HG23 VAL 45 2HG2 VAL 45 3.915 -9.577 -2.130 362 H ASP 46 H ASP 46 1.289 -8.926 -1.527 363 HA ASP 46 HA ASP 46 2.430 -7.040 0.400 364 HB2 ASP 46 2HB ASP 46 -0.543 -7.539 0.138 365 HB3 ASP 46 3HB ASP 46 0.241 -6.505 1.330 366 H THR 47 H THR 47 2.383 -7.752 2.562 367 HA THR 47 HA THR 47 1.473 -10.505 3.012 368 HB THR 47 HB THR 47 3.784 -10.384 4.514 369 HG1 THR 47 HG1 THR 47 5.170 -9.148 3.512 370 HG21 THR 47 3HG2 THR 47 3.338 -12.403 3.494 371 HG22 THR 47 1HG2 THR 47 4.680 -11.823 2.509 372 HG23 THR 47 2HG2 THR 47 3.023 -11.663 1.925 373 H TYR 48 H TYR 48 1.172 -7.432 3.902 374 HA TYR 48 HA TYR 48 1.401 -7.650 6.759 375 HB2 TYR 48 2HB TYR 48 0.360 -5.548 4.882 376 HB3 TYR 48 3HB TYR 48 0.086 -5.416 6.616 377 HD1 TYR 48 HD1 TYR 48 2.010 -4.086 4.214 378 HD2 TYR 48 HD2 TYR 48 2.511 -6.204 7.870 379 HE1 TYR 48 HE1 TYR 48 4.240 -3.083 4.482 380 HE2 TYR 48 HE2 TYR 48 4.741 -5.206 8.149 381 HH TYR 48 HH TYR 48 6.330 -3.526 5.641 382 H ASN 49 H ASN 49 -1.244 -7.650 4.406 383 HA ASN 49 HA ASN 49 -3.181 -8.172 6.525 384 HB2 ASN 49 2HB ASN 49 -3.505 -6.573 4.481 385 HB3 ASN 49 3HB ASN 49 -3.875 -8.058 3.608 386 HD21 ASN 49 2HD2 ASN 49 -7.006 -6.586 4.918 387 HD22 ASN 49 1HD2 ASN 49 -5.724 -6.045 3.893 388 H ASN 50 H ASN 50 -1.045 -10.036 5.124 389 HA ASN 50 HA ASN 50 -0.844 -12.283 4.822 390 HB2 ASN 50 2HB ASN 50 -1.961 -13.114 6.603 391 HB3 ASN 50 3HB ASN 50 -3.322 -12.018 6.379 392 HD21 ASN 50 2HD2 ASN 50 -5.237 -14.251 4.478 393 HD22 ASN 50 1HD2 ASN 50 -4.969 -12.597 4.900 394 H ALA 51 H ALA 51 -2.650 -10.314 3.037 395 HA ALA 51 HA ALA 51 -4.111 -12.149 1.396 396 HB1 ALA 51 1HB ALA 51 -3.588 -9.742 -0.014 397 HB2 ALA 51 2HB ALA 51 -5.089 -10.268 0.750 398 HB3 ALA 51 3HB ALA 51 -3.910 -9.333 1.671 399 H VAL 52 H VAL 52 -3.584 -12.991 -0.589 400 HA VAL 52 HA VAL 52 -0.757 -13.214 -1.159 401 HB VAL 52 HB VAL 52 -3.007 -14.395 -2.780 402 HG11 VAL 52 1HG1 VAL 52 -1.210 -16.178 -3.111 403 HG12 VAL 52 2HG1 VAL 52 -0.974 -14.631 -3.928 404 HG13 VAL 52 3HG1 VAL 52 -0.083 -14.995 -2.449 405 HG21 VAL 52 3HG2 VAL 52 -2.506 -16.461 -1.326 406 HG22 VAL 52 1HG2 VAL 52 -1.828 -15.306 -0.179 407 HG23 VAL 52 2HG2 VAL 52 -3.524 -15.190 -0.650 408 H ASP 53 H ASP 53 0.121 -12.887 -3.313 409 HA ASP 53 HA ASP 53 -0.806 -10.389 -4.442 410 HB2 ASP 53 2HB ASP 53 1.418 -11.858 -5.739 411 HB3 ASP 53 3HB ASP 53 1.293 -10.156 -5.301 412 H CYS 54 H CYS 54 -2.671 -10.754 -5.570 413 HA CYS 54 HA CYS 54 -2.397 -11.945 -8.165 414 HB2 CYS 54 2HB CYS 54 -3.799 -13.381 -5.981 415 HB3 CYS 54 3HB CYS 54 -4.619 -13.335 -7.538 416 H ASP 55 H ASP 55 -3.449 -10.636 -9.491 417 HA ASP 55 HA ASP 55 -6.107 -9.932 -9.388 418 HB2 ASP 55 2HB ASP 55 -4.466 -8.311 -7.608 419 HB3 ASP 55 3HB ASP 55 -5.312 -7.334 -8.805 Start of MODEL 15 1 H1 ALA 1 H ALA 1 4.221 2.310 -2.160 2 HA ALA 1 HA ALA 1 6.320 2.159 -0.117 3 HB1 ALA 1 1HB ALA 1 4.586 2.484 1.239 4 HB2 ALA 1 2HB ALA 1 3.424 2.171 -0.051 5 HB3 ALA 1 3HB ALA 1 4.102 0.828 0.869 6 H LYS 2 H LYS 2 4.634 0.279 -2.489 7 HA LYS 2 HA LYS 2 6.208 -2.076 -1.689 8 HB2 LYS 2 2HB LYS 2 3.492 -2.325 -2.951 9 HB3 LYS 2 3HB LYS 2 4.413 -3.542 -2.077 10 HG2 LYS 2 2HG LYS 2 3.292 -3.038 -0.241 11 HG3 LYS 2 3HG LYS 2 3.975 -1.411 -0.287 12 HD2 LYS 2 2HD LYS 2 1.528 -2.221 -1.846 13 HD3 LYS 2 3HD LYS 2 1.457 -1.538 -0.219 14 HE2 LYS 2 2HE LYS 2 1.215 0.361 -1.477 15 HE3 LYS 2 3HE LYS 2 2.967 0.328 -1.288 16 HZ1 LYS 2 3HZ LYS 2 3.237 -0.514 -3.454 17 HZ2 LYS 2 1HZ LYS 2 2.114 0.744 -3.598 18 HZ3 LYS 2 2HZ LYS 2 1.591 -0.864 -3.624 19 H TYR 3 H TYR 3 5.346 -3.694 -3.847 20 HA TYR 3 HA TYR 3 6.667 -2.304 -6.079 21 HB2 TYR 3 2HB TYR 3 7.104 -4.864 -4.886 22 HB3 TYR 3 3HB TYR 3 6.570 -5.106 -6.545 23 HD1 TYR 3 HD1 TYR 3 9.256 -3.939 -4.397 24 HD2 TYR 3 HD2 TYR 3 7.886 -4.170 -8.418 25 HE1 TYR 3 HE1 TYR 3 11.527 -3.431 -5.194 26 HE2 TYR 3 HE2 TYR 3 10.153 -3.663 -9.226 27 HH TYR 3 HH TYR 3 12.880 -3.412 -7.010 28 H THR 4 H THR 4 5.972 -2.919 -8.262 29 HA THR 4 HA THR 4 3.056 -3.214 -8.356 30 HB THR 4 HB THR 4 4.967 -2.220 -10.478 31 HG1 THR 4 HG1 THR 4 3.896 -0.199 -9.979 32 HG21 THR 4 3HG2 THR 4 2.275 -3.165 -10.668 33 HG22 THR 4 1HG2 THR 4 3.312 -2.518 -11.938 34 HG23 THR 4 2HG2 THR 4 2.302 -1.431 -10.984 35 H GLY 5 H GLY 5 2.279 -5.162 -8.812 36 HA2 GLY 5 2HA GLY 5 3.889 -6.935 -10.544 37 HA3 GLY 5 3HA GLY 5 2.844 -7.511 -9.254 38 H LYS 6 H LYS 6 2.506 -8.654 -11.638 39 HA LYS 6 HA LYS 6 -0.143 -7.718 -12.404 40 HB2 LYS 6 2HB LYS 6 0.861 -8.371 -14.867 41 HB3 LYS 6 3HB LYS 6 0.653 -6.733 -14.262 42 HG2 LYS 6 2HG LYS 6 2.963 -6.712 -13.490 43 HG3 LYS 6 3HG LYS 6 3.176 -8.367 -14.066 44 HD2 LYS 6 2HD LYS 6 2.257 -7.209 -16.313 45 HD3 LYS 6 3HD LYS 6 3.066 -5.827 -15.571 46 HE2 LYS 6 2HE LYS 6 4.961 -7.680 -15.213 47 HE3 LYS 6 3HE LYS 6 4.193 -8.341 -16.656 48 HZ1 LYS 6 3HZ LYS 6 4.645 -6.384 -17.856 49 HZ2 LYS 6 1HZ LYS 6 6.081 -6.752 -17.041 50 HZ3 LYS 6 2HZ LYS 6 5.075 -5.520 -16.467 51 H CYS 7 H CYS 7 -1.518 -9.363 -12.703 52 HA CYS 7 HA CYS 7 -0.380 -12.060 -13.053 53 HB2 CYS 7 2HB CYS 7 -1.409 -12.702 -11.177 54 HB3 CYS 7 3HB CYS 7 -1.994 -11.058 -10.938 55 H THR 8 H THR 8 -1.415 -13.463 -14.444 56 HA THR 8 HA THR 8 -3.324 -12.198 -16.280 57 HB THR 8 HB THR 8 -1.338 -13.041 -17.376 58 HG1 THR 8 HG1 THR 8 -3.452 -13.348 -18.386 59 HG21 THR 8 3HG2 THR 8 -1.688 -15.863 -17.090 60 HG22 THR 8 1HG2 THR 8 -1.545 -15.137 -15.489 61 HG23 THR 8 2HG2 THR 8 -0.281 -14.878 -16.691 62 H LYS 9 H LYS 9 -5.393 -12.730 -16.143 63 HA LYS 9 HA LYS 9 -6.411 -14.667 -14.391 64 HB2 LYS 9 2HB LYS 9 -7.560 -12.606 -15.483 65 HB3 LYS 9 3HB LYS 9 -7.939 -13.714 -16.795 66 HG2 LYS 9 2HG LYS 9 -8.757 -15.159 -14.657 67 HG3 LYS 9 3HG LYS 9 -9.078 -13.515 -14.100 68 HD2 LYS 9 2HD LYS 9 -11.048 -13.973 -15.177 69 HD3 LYS 9 3HD LYS 9 -10.125 -13.264 -16.505 70 HE2 LYS 9 2HE LYS 9 -9.850 -16.181 -16.112 71 HE3 LYS 9 3HE LYS 9 -11.417 -15.612 -16.684 72 HZ1 LYS 9 3HZ LYS 9 -10.286 -15.924 -18.638 73 HZ2 LYS 9 1HZ LYS 9 -8.793 -15.451 -17.998 74 HZ3 LYS 9 2HZ LYS 9 -9.966 -14.287 -18.357 75 H SER 10 H SER 10 -5.068 -14.991 -17.496 76 HA SER 10 HA SER 10 -6.518 -17.213 -18.462 77 HB2 SER 10 2HB SER 10 -3.613 -16.814 -19.099 78 HB3 SER 10 3HB SER 10 -4.922 -17.343 -20.155 79 HG SER 10 HG SER 10 -4.009 -14.848 -19.692 80 H LYS 11 H LYS 11 -3.538 -16.959 -16.560 81 HA LYS 11 HA LYS 11 -3.631 -19.865 -16.113 82 HB2 LYS 11 2HB LYS 11 -1.413 -17.857 -16.124 83 HB3 LYS 11 3HB LYS 11 -1.245 -19.311 -15.148 84 HG2 LYS 11 2HG LYS 11 -1.963 -20.479 -17.406 85 HG3 LYS 11 3HG LYS 11 -1.299 -18.997 -18.097 86 HD2 LYS 11 2HD LYS 11 0.832 -19.401 -17.167 87 HD3 LYS 11 3HD LYS 11 0.209 -20.652 -16.088 88 HE2 LYS 11 2HE LYS 11 -0.310 -21.217 -18.896 89 HE3 LYS 11 3HE LYS 11 1.409 -21.056 -18.541 90 HZ1 LYS 11 3HZ LYS 11 -0.350 -23.190 -17.915 91 HZ2 LYS 11 1HZ LYS 11 0.361 -22.587 -16.503 92 HZ3 LYS 11 2HZ LYS 11 1.335 -23.121 -17.779 93 H ASN 12 H ASN 12 -4.325 -16.916 -14.660 94 HA ASN 12 HA ASN 12 -4.976 -16.325 -12.562 95 HB2 ASN 12 2HB ASN 12 -5.768 -18.974 -12.847 96 HB3 ASN 12 3HB ASN 12 -4.906 -18.956 -11.311 97 HD21 ASN 12 2HD2 ASN 12 -7.796 -17.915 -9.746 98 HD22 ASN 12 1HD2 ASN 12 -6.483 -19.033 -9.853 99 H GLU 13 H GLU 13 -2.279 -16.146 -13.114 100 HA GLU 13 HA GLU 13 -1.145 -16.588 -10.448 101 HB2 GLU 13 2HB GLU 13 0.597 -17.004 -12.846 102 HB3 GLU 13 3HB GLU 13 0.804 -17.598 -11.204 103 HG2 GLU 13 2HG GLU 13 -1.028 -19.175 -11.539 104 HG3 GLU 13 3HG GLU 13 -1.239 -18.579 -13.185 105 H CYS 14 H CYS 14 0.598 -15.163 -9.907 106 HA CYS 14 HA CYS 14 0.710 -12.751 -11.599 107 HB2 CYS 14 2HB CYS 14 -0.532 -12.692 -9.286 108 HB3 CYS 14 3HB CYS 14 1.101 -12.608 -8.633 109 H LYS 15 H LYS 15 2.679 -11.448 -11.321 110 HA LYS 15 HA LYS 15 5.002 -12.980 -10.391 111 HB2 LYS 15 2HB LYS 15 4.932 -11.524 -13.038 112 HB3 LYS 15 3HB LYS 15 6.255 -12.489 -12.395 113 HG2 LYS 15 2HG LYS 15 5.397 -14.082 -13.719 114 HG3 LYS 15 3HG LYS 15 4.271 -14.317 -12.380 115 HD2 LYS 15 2HD LYS 15 2.658 -13.975 -13.894 116 HD3 LYS 15 3HD LYS 15 3.110 -12.271 -13.805 117 HE2 LYS 15 2HE LYS 15 4.931 -13.104 -15.576 118 HE3 LYS 15 3HE LYS 15 3.664 -14.285 -15.905 119 HZ1 LYS 15 3HZ LYS 15 2.373 -12.746 -16.855 120 HZ2 LYS 15 1HZ LYS 15 3.788 -11.828 -16.988 121 HZ3 LYS 15 2HZ LYS 15 2.727 -11.565 -15.698 122 H TYR 16 H TYR 16 6.658 -11.768 -9.547 123 HA TYR 16 HA TYR 16 6.561 -8.865 -9.762 124 HB2 TYR 16 2HB TYR 16 6.469 -8.455 -7.414 125 HB3 TYR 16 3HB TYR 16 5.138 -9.545 -7.789 126 HD1 TYR 16 HD1 TYR 16 5.449 -12.024 -7.314 127 HD2 TYR 16 HD2 TYR 16 8.082 -9.038 -5.810 128 HE1 TYR 16 HE1 TYR 16 6.252 -13.600 -5.605 129 HE2 TYR 16 HE2 TYR 16 8.892 -10.607 -4.098 130 HH TYR 16 HH TYR 16 7.417 -13.153 -3.092 131 H LYS 17 H LYS 17 8.495 -7.828 -8.897 132 HA LYS 17 HA LYS 17 10.837 -9.473 -9.375 133 HB2 LYS 17 2HB LYS 17 10.654 -7.248 -10.417 134 HB3 LYS 17 3HB LYS 17 10.605 -6.509 -8.822 135 HG2 LYS 17 2HG LYS 17 12.910 -8.190 -9.022 136 HG3 LYS 17 3HG LYS 17 12.858 -7.082 -10.395 137 HD2 LYS 17 2HD LYS 17 12.990 -5.206 -9.054 138 HD3 LYS 17 3HD LYS 17 12.343 -6.044 -7.641 139 HE2 LYS 17 2HE LYS 17 14.480 -6.106 -6.961 140 HE3 LYS 17 3HE LYS 17 14.635 -7.439 -8.104 141 HZ1 LYS 17 3HZ LYS 17 16.221 -6.219 -9.042 142 HZ2 LYS 17 1HZ LYS 17 15.784 -4.819 -8.199 143 HZ3 LYS 17 2HZ LYS 17 14.991 -5.221 -9.637 144 H ASN 18 H ASN 18 12.151 -10.255 -7.853 145 HA ASN 18 HA ASN 18 11.821 -9.261 -5.098 146 HB2 ASN 18 2HB ASN 18 12.725 -11.678 -4.568 147 HB3 ASN 18 3HB ASN 18 11.016 -11.419 -4.910 148 HD21 ASN 18 2HD2 ASN 18 13.253 -13.785 -7.247 149 HD22 ASN 18 1HD2 ASN 18 13.852 -13.026 -5.816 150 H SER 19 H SER 19 13.845 -10.150 -3.755 151 HA SER 19 HA SER 19 16.031 -8.613 -4.481 152 HB2 SER 19 2HB SER 19 15.462 -10.658 -2.456 153 HB3 SER 19 3HB SER 19 17.163 -10.572 -2.912 154 HG SER 19 HG SER 19 15.520 -8.530 -1.853 155 H ALA 20 H ALA 20 15.318 -11.976 -5.208 156 HA ALA 20 HA ALA 20 17.843 -12.708 -6.215 157 HB1 ALA 20 1HB ALA 20 15.593 -14.069 -5.693 158 HB2 ALA 20 2HB ALA 20 15.465 -13.948 -7.449 159 HB3 ALA 20 3HB ALA 20 16.886 -14.693 -6.718 160 H GLY 21 H GLY 21 15.028 -11.212 -7.735 161 HA2 GLY 21 2HA GLY 21 15.151 -9.745 -9.578 162 HA3 GLY 21 3HA GLY 21 16.733 -10.403 -9.967 163 H LYS 22 H LYS 22 15.396 -13.158 -9.541 164 HA LYS 22 HA LYS 22 14.781 -13.561 -12.319 165 HB2 LYS 22 2HB LYS 22 14.729 -15.433 -9.947 166 HB3 LYS 22 3HB LYS 22 14.415 -15.936 -11.602 167 HG2 LYS 22 2HG LYS 22 16.588 -15.899 -12.166 168 HG3 LYS 22 3HG LYS 22 16.923 -14.459 -11.201 169 HD2 LYS 22 2HD LYS 22 18.044 -15.931 -9.903 170 HD3 LYS 22 3HD LYS 22 16.438 -16.239 -9.238 171 HE2 LYS 22 2HE LYS 22 17.806 -17.806 -11.423 172 HE3 LYS 22 3HE LYS 22 17.564 -18.329 -9.757 173 HZ1 LYS 22 3HZ LYS 22 15.451 -17.824 -11.781 174 HZ2 LYS 22 1HZ LYS 22 15.148 -18.174 -10.154 175 HZ3 LYS 22 2HZ LYS 22 15.903 -19.323 -11.139 176 H ASP 23 H ASP 23 12.852 -13.324 -13.216 177 HA ASP 23 HA ASP 23 10.538 -12.568 -11.909 178 HB2 ASP 23 2HB ASP 23 9.387 -13.489 -14.046 179 HB3 ASP 23 3HB ASP 23 10.539 -12.166 -14.206 180 H THR 24 H THR 24 9.384 -13.628 -10.452 181 HA THR 24 HA THR 24 9.157 -16.556 -10.683 182 HB THR 24 HB THR 24 10.248 -15.809 -8.608 183 HG1 THR 24 HG1 THR 24 8.919 -17.035 -7.238 184 HG21 THR 24 3HG2 THR 24 8.997 -13.618 -8.504 185 HG22 THR 24 1HG2 THR 24 9.136 -14.482 -6.973 186 HG23 THR 24 2HG2 THR 24 7.621 -14.524 -7.875 187 H PHE 25 H PHE 25 7.184 -17.504 -10.762 188 HA PHE 25 HA PHE 25 4.856 -15.702 -10.786 189 HB2 PHE 25 2HB PHE 25 3.805 -17.580 -12.172 190 HB3 PHE 25 3HB PHE 25 5.064 -16.625 -12.949 191 HD1 PHE 25 HD1 PHE 25 4.218 -19.880 -11.497 192 HD2 PHE 25 HD2 PHE 25 7.189 -17.591 -13.510 193 HE1 PHE 25 HE1 PHE 25 5.464 -21.942 -11.995 194 HE2 PHE 25 HE2 PHE 25 8.440 -19.650 -14.012 195 HZ PHE 25 HZ PHE 25 7.578 -21.829 -13.254 196 H ILE 26 H ILE 26 3.115 -16.138 -9.532 197 HA ILE 26 HA ILE 26 3.223 -18.578 -7.882 198 HB ILE 26 HB ILE 26 3.768 -16.657 -6.500 199 HG12 ILE 26 2HG1 ILE 26 1.978 -16.877 -4.810 200 HG13 ILE 26 3HG1 ILE 26 0.949 -17.648 -6.013 201 HG21 ILE 26 1HG2 ILE 26 1.955 -15.308 -8.138 202 HG22 ILE 26 2HG2 ILE 26 1.225 -15.306 -6.533 203 HG23 ILE 26 3HG2 ILE 26 2.846 -14.652 -6.764 204 HD11 ILE 26 3HD1 ILE 26 2.725 -18.877 -4.255 205 HD12 ILE 26 1HD1 ILE 26 1.850 -19.622 -5.592 206 HD13 ILE 26 2HD1 ILE 26 3.479 -18.995 -5.845 207 H LYS 27 H LYS 27 1.506 -19.855 -8.032 208 HA LYS 27 HA LYS 27 -0.782 -19.026 -9.582 209 HB2 LYS 27 2HB LYS 27 -1.475 -21.304 -9.494 210 HB3 LYS 27 3HB LYS 27 0.270 -21.312 -9.713 211 HG2 LYS 27 2HG LYS 27 0.474 -21.632 -7.228 212 HG3 LYS 27 3HG LYS 27 -1.273 -21.885 -7.198 213 HD2 LYS 27 2HD LYS 27 -0.260 -23.513 -9.261 214 HD3 LYS 27 3HD LYS 27 0.814 -23.730 -7.877 215 HE2 LYS 27 2HE LYS 27 -1.262 -24.080 -6.482 216 HE3 LYS 27 3HE LYS 27 -2.166 -24.145 -7.994 217 HZ1 LYS 27 3HZ LYS 27 0.144 -25.914 -7.442 218 HZ2 LYS 27 1HZ LYS 27 -1.021 -26.072 -8.659 219 HZ3 LYS 27 2HZ LYS 27 -1.444 -26.340 -7.044 220 H CYS 28 H CYS 28 -2.821 -18.620 -8.871 221 HA CYS 28 HA CYS 28 -3.234 -18.637 -5.953 222 HB2 CYS 28 2HB CYS 28 -3.831 -16.584 -8.023 223 HB3 CYS 28 3HB CYS 28 -4.997 -16.775 -6.718 224 HA PRO 29 HA PRO 29 -6.563 -21.423 -6.802 225 HB2 PRO 29 2HB PRO 29 -7.735 -21.316 -4.355 226 HB3 PRO 29 3HB PRO 29 -6.237 -22.203 -4.665 227 HG2 PRO 29 2HG PRO 29 -6.616 -19.483 -3.474 228 HG3 PRO 29 3HG PRO 29 -5.524 -20.784 -2.966 229 HD2 PRO 29 2HD PRO 29 -4.683 -18.664 -4.424 230 HD3 PRO 29 3HD PRO 29 -3.964 -20.279 -4.585 231 H LYS 30 H LYS 30 -9.059 -21.302 -5.738 232 HA LYS 30 HA LYS 30 -10.124 -18.821 -6.903 233 HB2 LYS 30 2HB LYS 30 -11.036 -21.642 -6.880 234 HB3 LYS 30 3HB LYS 30 -12.291 -20.416 -6.758 235 HG2 LYS 30 2HG LYS 30 -11.947 -19.650 -8.873 236 HG3 LYS 30 3HG LYS 30 -10.236 -20.085 -8.872 237 HD2 LYS 30 2HD LYS 30 -11.823 -22.455 -8.630 238 HD3 LYS 30 3HD LYS 30 -12.392 -21.507 -10.006 239 HE2 LYS 30 2HE LYS 30 -10.680 -23.029 -10.748 240 HE3 LYS 30 3HE LYS 30 -10.060 -21.380 -10.826 241 HZ1 LYS 30 3HZ LYS 30 -9.227 -23.594 -9.145 242 HZ2 LYS 30 1HZ LYS 30 -9.287 -22.086 -8.382 243 HZ3 LYS 30 2HZ LYS 30 -8.327 -22.299 -9.757 244 H PHE 31 H PHE 31 -9.268 -19.718 -4.014 245 HA PHE 31 HA PHE 31 -11.728 -19.242 -2.554 246 HB2 PHE 31 2HB PHE 31 -9.531 -20.720 -1.967 247 HB3 PHE 31 3HB PHE 31 -9.159 -19.237 -1.093 248 HD1 PHE 31 HD1 PHE 31 -9.956 -18.979 1.049 249 HD2 PHE 31 HD2 PHE 31 -11.944 -21.663 -1.590 250 HE1 PHE 31 HE1 PHE 31 -11.425 -19.694 2.889 251 HE2 PHE 31 HE2 PHE 31 -13.417 -22.381 0.246 252 HZ PHE 31 HZ PHE 31 -13.159 -21.397 2.488 253 H ASP 32 H ASP 32 -11.600 -17.635 -0.686 254 HA ASP 32 HA ASP 32 -11.382 -15.045 -1.702 255 HB2 ASP 32 2HB ASP 32 -11.878 -16.265 0.932 256 HB3 ASP 32 3HB ASP 32 -11.191 -14.644 0.993 257 H ASN 33 H ASN 33 -9.955 -13.307 -1.041 258 HA ASN 33 HA ASN 33 -7.876 -12.378 -0.971 259 HB2 ASN 33 2HB ASN 33 -8.214 -13.199 1.415 260 HB3 ASN 33 3HB ASN 33 -7.196 -14.571 0.988 261 HD21 ASN 33 2HD2 ASN 33 -4.970 -12.158 2.535 262 HD22 ASN 33 1HD2 ASN 33 -6.273 -13.200 2.983 263 H LYS 34 H LYS 34 -8.403 -14.715 -2.798 264 HA LYS 34 HA LYS 34 -5.634 -15.084 -3.610 265 HB2 LYS 34 2HB LYS 34 -7.448 -17.295 -2.731 266 HB3 LYS 34 3HB LYS 34 -6.301 -17.596 -4.031 267 HG2 LYS 34 2HG LYS 34 -4.896 -18.148 -2.389 268 HG3 LYS 34 3HG LYS 34 -4.714 -16.406 -2.165 269 HD2 LYS 34 2HD LYS 34 -6.316 -16.384 -0.405 270 HD3 LYS 34 3HD LYS 34 -6.811 -18.043 -0.750 271 HE2 LYS 34 2HE LYS 34 -4.027 -18.090 -0.298 272 HE3 LYS 34 3HE LYS 34 -4.735 -17.098 0.976 273 HZ1 LYS 34 3HZ LYS 34 -6.384 -19.293 0.720 274 HZ2 LYS 34 1HZ LYS 34 -5.298 -18.977 1.978 275 HZ3 LYS 34 2HZ LYS 34 -4.812 -19.913 0.656 276 H LYS 35 H LYS 35 -7.801 -13.566 -4.686 277 HA LYS 35 HA LYS 35 -8.712 -15.052 -7.019 278 HB2 LYS 35 2HB LYS 35 -10.217 -13.304 -7.408 279 HB3 LYS 35 3HB LYS 35 -10.137 -13.397 -5.654 280 HG2 LYS 35 2HG LYS 35 -8.555 -11.523 -5.638 281 HG3 LYS 35 3HG LYS 35 -8.679 -11.418 -7.396 282 HD2 LYS 35 2HD LYS 35 -10.387 -10.019 -7.095 283 HD3 LYS 35 3HD LYS 35 -11.314 -11.396 -6.496 284 HE2 LYS 35 2HE LYS 35 -9.787 -10.645 -4.322 285 HE3 LYS 35 3HE LYS 35 -10.228 -9.108 -5.064 286 HZ1 LYS 35 3HZ LYS 35 -12.306 -9.317 -4.352 287 HZ2 LYS 35 1HZ LYS 35 -11.791 -10.620 -3.403 288 HZ3 LYS 35 2HZ LYS 35 -12.444 -10.898 -4.938 289 H CYS 36 H CYS 36 -8.412 -14.217 -9.184 290 HA CYS 36 HA CYS 36 -5.929 -12.657 -9.480 291 HB2 CYS 36 2HB CYS 36 -6.165 -15.292 -10.121 292 HB3 CYS 36 3HB CYS 36 -6.607 -14.538 -11.650 293 H THR 37 H THR 37 -5.928 -11.026 -10.938 294 HA THR 37 HA THR 37 -8.254 -10.741 -12.711 295 HB THR 37 HB THR 37 -7.260 -8.200 -11.622 296 HG1 THR 37 HG1 THR 37 -8.876 -9.794 -9.921 297 HG21 THR 37 3HG2 THR 37 -9.782 -9.440 -12.511 298 HG22 THR 37 1HG2 THR 37 -9.175 -7.804 -12.757 299 HG23 THR 37 2HG2 THR 37 -9.936 -8.242 -11.227 300 H LYS 38 H LYS 38 -7.698 -8.420 -13.947 301 HA LYS 38 HA LYS 38 -5.844 -9.051 -15.882 302 HB2 LYS 38 2HB LYS 38 -7.554 -6.898 -15.337 303 HB3 LYS 38 3HB LYS 38 -5.955 -6.184 -15.503 304 HG2 LYS 38 2HG LYS 38 -6.020 -6.392 -17.706 305 HG3 LYS 38 3HG LYS 38 -6.415 -8.109 -17.588 306 HD2 LYS 38 2HD LYS 38 -8.159 -6.932 -18.795 307 HD3 LYS 38 3HD LYS 38 -8.782 -7.519 -17.251 308 HE2 LYS 38 2HE LYS 38 -9.245 -5.451 -16.553 309 HE3 LYS 38 3HE LYS 38 -7.655 -4.857 -17.030 310 HZ1 LYS 38 3HZ LYS 38 -9.108 -5.292 -19.361 311 HZ2 LYS 38 1HZ LYS 38 -8.621 -3.810 -18.705 312 HZ3 LYS 38 2HZ LYS 38 -10.131 -4.457 -18.303 313 H ASP 39 H ASP 39 -3.726 -8.362 -16.347 314 HA ASP 39 HA ASP 39 -1.879 -8.523 -14.295 315 HB2 ASP 39 2HB ASP 39 -0.350 -7.298 -16.039 316 HB3 ASP 39 3HB ASP 39 -0.960 -8.915 -16.383 317 H ASN 40 H ASN 40 -2.858 -5.564 -16.035 318 HA ASN 40 HA ASN 40 -1.569 -3.901 -14.050 319 HB2 ASN 40 2HB ASN 40 -3.063 -3.359 -16.604 320 HB3 ASN 40 3HB ASN 40 -2.669 -2.050 -15.494 321 HD21 ASN 40 2HD2 ASN 40 0.605 -4.060 -16.852 322 HD22 ASN 40 1HD2 ASN 40 -0.720 -4.900 -16.129 323 H ASN 41 H ASN 41 -4.408 -5.532 -14.110 324 HA ASN 41 HA ASN 41 -6.425 -3.814 -13.394 325 HB2 ASN 41 2HB ASN 41 -6.735 -6.237 -13.690 326 HB3 ASN 41 3HB ASN 41 -5.862 -6.533 -12.189 327 HD21 ASN 41 2HD2 ASN 41 -8.605 -6.061 -10.150 328 HD22 ASN 41 1HD2 ASN 41 -6.944 -6.504 -10.325 329 H LYS 42 H LYS 42 -5.053 -5.750 -10.790 330 HA LYS 42 HA LYS 42 -4.263 -3.413 -9.276 331 HB2 LYS 42 2HB LYS 42 -6.688 -5.045 -8.599 332 HB3 LYS 42 3HB LYS 42 -5.748 -4.288 -7.319 333 HG2 LYS 42 2HG LYS 42 -6.039 -2.128 -8.708 334 HG3 LYS 42 3HG LYS 42 -7.351 -3.009 -9.493 335 HD2 LYS 42 2HD LYS 42 -7.622 -3.386 -6.699 336 HD3 LYS 42 3HD LYS 42 -7.351 -1.664 -6.978 337 HE2 LYS 42 2HE LYS 42 -9.244 -1.467 -8.331 338 HE3 LYS 42 3HE LYS 42 -9.335 -3.205 -8.615 339 HZ1 LYS 42 3HZ LYS 42 -11.046 -2.683 -7.107 340 HZ2 LYS 42 1HZ LYS 42 -10.033 -1.731 -6.142 341 HZ3 LYS 42 2HZ LYS 42 -9.835 -3.411 -6.176 342 H CYS 43 H CYS 43 -2.903 -5.715 -10.307 343 HA CYS 43 HA CYS 43 -2.439 -7.531 -8.121 344 HB2 CYS 43 2HB CYS 43 -2.270 -8.298 -10.448 345 HB3 CYS 43 3HB CYS 43 -0.945 -7.172 -10.728 346 H THR 44 H THR 44 -1.050 -7.271 -6.507 347 HA THR 44 HA THR 44 1.377 -5.717 -6.867 348 HB THR 44 HB THR 44 0.328 -4.823 -4.385 349 HG1 THR 44 HG1 THR 44 -1.741 -5.290 -5.418 350 HG21 THR 44 3HG2 THR 44 1.704 -3.258 -5.236 351 HG22 THR 44 1HG2 THR 44 0.253 -2.648 -6.030 352 HG23 THR 44 2HG2 THR 44 1.354 -3.715 -6.902 353 H VAL 45 H VAL 45 2.812 -5.862 -4.953 354 HA VAL 45 HA VAL 45 2.481 -8.477 -3.653 355 HB VAL 45 HB VAL 45 4.504 -8.372 -4.931 356 HG11 VAL 45 1HG1 VAL 45 4.536 -5.650 -4.062 357 HG12 VAL 45 2HG1 VAL 45 6.070 -6.416 -3.640 358 HG13 VAL 45 3HG1 VAL 45 5.506 -6.428 -5.312 359 HG21 VAL 45 3HG2 VAL 45 4.415 -9.004 -2.264 360 HG22 VAL 45 1HG2 VAL 45 5.745 -9.375 -3.362 361 HG23 VAL 45 2HG2 VAL 45 5.808 -7.927 -2.356 362 H ASP 46 H ASP 46 1.758 -8.405 -1.637 363 HA ASP 46 HA ASP 46 2.881 -6.425 0.203 364 HB2 ASP 46 2HB ASP 46 -0.083 -6.993 -0.021 365 HB3 ASP 46 3HB ASP 46 0.682 -5.926 1.153 366 H THR 47 H THR 47 2.836 -7.047 2.405 367 HA THR 47 HA THR 47 2.019 -9.811 2.955 368 HB THR 47 HB THR 47 4.463 -9.215 4.366 369 HG1 THR 47 HG1 THR 47 5.789 -9.347 2.397 370 HG21 THR 47 3HG2 THR 47 3.985 -11.307 2.252 371 HG22 THR 47 1HG2 THR 47 3.357 -11.446 3.893 372 HG23 THR 47 2HG2 THR 47 5.098 -11.375 3.618 373 H TYR 48 H TYR 48 1.590 -6.734 3.727 374 HA TYR 48 HA TYR 48 1.854 -6.817 6.588 375 HB2 TYR 48 2HB TYR 48 0.881 -4.613 6.569 376 HB3 TYR 48 3HB TYR 48 2.039 -4.716 5.246 377 HD1 TYR 48 HD1 TYR 48 1.286 -4.722 2.930 378 HD2 TYR 48 HD2 TYR 48 -1.497 -4.428 6.135 379 HE1 TYR 48 HE1 TYR 48 -0.451 -3.997 1.347 380 HE2 TYR 48 HE2 TYR 48 -3.242 -3.704 4.560 381 HH TYR 48 HH TYR 48 -3.776 -3.750 2.254 382 H ASN 49 H ASN 49 -0.753 -7.200 4.249 383 HA ASN 49 HA ASN 49 -2.646 -7.717 6.427 384 HB2 ASN 49 2HB ASN 49 -2.878 -6.442 3.897 385 HB3 ASN 49 3HB ASN 49 -3.881 -7.890 3.853 386 HD21 ASN 49 2HD2 ASN 49 -6.441 -6.242 5.451 387 HD22 ASN 49 1HD2 ASN 49 -5.895 -7.311 4.209 388 H ASN 50 H ASN 50 -0.455 -9.468 4.953 389 HA ASN 50 HA ASN 50 -0.147 -11.702 4.640 390 HB2 ASN 50 2HB ASN 50 -1.149 -12.599 6.454 391 HB3 ASN 50 3HB ASN 50 -2.565 -11.563 6.298 392 HD21 ASN 50 2HD2 ASN 50 -4.457 -13.867 4.457 393 HD22 ASN 50 1HD2 ASN 50 -4.242 -12.204 4.870 394 H ALA 51 H ALA 51 -2.116 -9.833 2.924 395 HA ALA 51 HA ALA 51 -3.554 -11.733 1.343 396 HB1 ALA 51 1HB ALA 51 -4.601 -9.917 0.613 397 HB2 ALA 51 2HB ALA 51 -3.541 -8.948 1.638 398 HB3 ALA 51 3HB ALA 51 -3.101 -9.258 -0.041 399 H VAL 52 H VAL 52 -3.062 -12.582 -0.644 400 HA VAL 52 HA VAL 52 -0.250 -12.681 -1.322 401 HB VAL 52 HB VAL 52 -2.479 -14.011 -2.847 402 HG11 VAL 52 1HG1 VAL 52 -0.586 -15.734 -3.104 403 HG12 VAL 52 2HG1 VAL 52 -0.482 -14.235 -4.029 404 HG13 VAL 52 3HG1 VAL 52 0.475 -14.435 -2.561 405 HG21 VAL 52 3HG2 VAL 52 -1.411 -14.626 -0.157 406 HG22 VAL 52 1HG2 VAL 52 -3.001 -14.947 -0.849 407 HG23 VAL 52 2HG2 VAL 52 -1.636 -15.988 -1.254 408 H ASP 53 H ASP 53 0.525 -12.350 -3.512 409 HA ASP 53 HA ASP 53 -0.595 -9.940 -4.660 410 HB2 ASP 53 2HB ASP 53 1.408 -9.960 -6.094 411 HB3 ASP 53 3HB ASP 53 1.827 -10.114 -4.390 412 H CYS 54 H CYS 54 -2.464 -10.445 -5.722 413 HA CYS 54 HA CYS 54 -2.182 -11.741 -8.278 414 HB2 CYS 54 2HB CYS 54 -3.692 -13.017 -6.029 415 HB3 CYS 54 3HB CYS 54 -4.284 -13.200 -7.677 416 H ASP 55 H ASP 55 -3.305 -10.573 -9.678 417 HA ASP 55 HA ASP 55 -5.972 -9.876 -9.515 418 HB2 ASP 55 2HB ASP 55 -4.288 -8.133 -7.941 419 HB3 ASP 55 3HB ASP 55 -5.073 -7.232 -9.235 Start of MODEL 16 1 H1 ALA 1 H ALA 1 0.723 0.711 0.223 2 HA ALA 1 HA ALA 1 1.553 -0.732 -1.760 3 HB1 ALA 1 1HB ALA 1 1.843 1.358 -2.491 4 HB2 ALA 1 2HB ALA 1 2.355 1.936 -0.905 5 HB3 ALA 1 3HB ALA 1 3.521 1.168 -1.982 6 H LYS 2 H LYS 2 3.367 -1.772 -2.609 7 HA LYS 2 HA LYS 2 5.722 -2.071 -0.920 8 HB2 LYS 2 2HB LYS 2 3.688 -4.156 -1.344 9 HB3 LYS 2 3HB LYS 2 5.342 -4.678 -1.637 10 HG2 LYS 2 2HG LYS 2 4.947 -3.151 0.838 11 HG3 LYS 2 3HG LYS 2 4.123 -4.711 0.776 12 HD2 LYS 2 2HD LYS 2 6.271 -5.100 1.718 13 HD3 LYS 2 3HD LYS 2 6.316 -5.721 0.066 14 HE2 LYS 2 2HE LYS 2 7.104 -2.911 0.319 15 HE3 LYS 2 3HE LYS 2 8.161 -4.035 1.173 16 HZ1 LYS 2 3HZ LYS 2 8.506 -5.251 -0.852 17 HZ2 LYS 2 1HZ LYS 2 8.855 -3.620 -1.133 18 HZ3 LYS 2 2HZ LYS 2 7.401 -4.281 -1.687 19 H TYR 3 H TYR 3 4.431 -3.932 -3.662 20 HA TYR 3 HA TYR 3 6.454 -2.768 -5.415 21 HB2 TYR 3 2HB TYR 3 7.006 -5.137 -4.170 22 HB3 TYR 3 3HB TYR 3 6.259 -5.696 -5.662 23 HD1 TYR 3 HD1 TYR 3 7.182 -4.567 -7.856 24 HD2 TYR 3 HD2 TYR 3 9.278 -4.702 -4.156 25 HE1 TYR 3 HE1 TYR 3 9.303 -4.220 -9.052 26 HE2 TYR 3 HE2 TYR 3 11.405 -4.354 -5.342 27 HH TYR 3 HH TYR 3 11.504 -3.608 -8.758 28 H THR 4 H THR 4 5.969 -2.905 -7.612 29 HA THR 4 HA THR 4 3.159 -3.277 -8.192 30 HB THR 4 HB THR 4 5.418 -2.405 -10.005 31 HG1 THR 4 HG1 THR 4 5.036 -0.870 -8.401 32 HG21 THR 4 3HG2 THR 4 2.565 -2.951 -10.465 33 HG22 THR 4 1HG2 THR 4 3.907 -2.898 -11.607 34 HG23 THR 4 2HG2 THR 4 3.135 -1.401 -11.083 35 H GLY 5 H GLY 5 2.359 -5.184 -8.766 36 HA2 GLY 5 2HA GLY 5 4.067 -6.980 -10.377 37 HA3 GLY 5 3HA GLY 5 3.024 -7.577 -9.094 38 H LYS 6 H LYS 6 2.735 -8.710 -11.499 39 HA LYS 6 HA LYS 6 0.080 -7.792 -12.294 40 HB2 LYS 6 2HB LYS 6 1.215 -8.560 -14.713 41 HB3 LYS 6 3HB LYS 6 0.825 -6.919 -14.214 42 HG2 LYS 6 2HG LYS 6 3.053 -6.560 -13.422 43 HG3 LYS 6 3HG LYS 6 3.468 -8.256 -13.679 44 HD2 LYS 6 2HD LYS 6 3.458 -8.029 -16.004 45 HD3 LYS 6 3HD LYS 6 2.528 -6.530 -15.945 46 HE2 LYS 6 2HE LYS 6 4.605 -5.626 -14.652 47 HE3 LYS 6 3HE LYS 6 5.432 -6.988 -15.407 48 HZ1 LYS 6 3HZ LYS 6 4.127 -5.916 -17.489 49 HZ2 LYS 6 1HZ LYS 6 5.727 -5.551 -17.080 50 HZ3 LYS 6 2HZ LYS 6 4.474 -4.529 -16.584 51 H CYS 7 H CYS 7 -1.299 -9.438 -12.508 52 HA CYS 7 HA CYS 7 -0.178 -12.151 -12.780 53 HB2 CYS 7 2HB CYS 7 -1.264 -12.718 -10.913 54 HB3 CYS 7 3HB CYS 7 -1.852 -11.066 -10.752 55 H THR 8 H THR 8 -1.097 -13.540 -14.229 56 HA THR 8 HA THR 8 -3.044 -12.349 -16.080 57 HB THR 8 HB THR 8 -0.979 -13.033 -17.155 58 HG1 THR 8 HG1 THR 8 -3.076 -13.433 -18.198 59 HG21 THR 8 3HG2 THR 8 -1.055 -15.162 -15.329 60 HG22 THR 8 1HG2 THR 8 0.161 -14.858 -16.569 61 HG23 THR 8 2HG2 THR 8 -1.223 -15.892 -16.925 62 H LYS 9 H LYS 9 -5.073 -13.027 -15.993 63 HA LYS 9 HA LYS 9 -6.048 -14.979 -14.281 64 HB2 LYS 9 2HB LYS 9 -7.105 -13.265 -16.344 65 HB3 LYS 9 3HB LYS 9 -7.850 -14.855 -16.443 66 HG2 LYS 9 2HG LYS 9 -7.875 -14.259 -13.736 67 HG3 LYS 9 3HG LYS 9 -8.269 -12.732 -14.529 68 HD2 LYS 9 2HD LYS 9 -10.364 -13.540 -14.572 69 HD3 LYS 9 3HD LYS 9 -9.794 -14.496 -15.941 70 HE2 LYS 9 2HE LYS 9 -9.304 -15.614 -13.249 71 HE3 LYS 9 3HE LYS 9 -10.982 -15.563 -13.784 72 HZ1 LYS 9 3HZ LYS 9 -10.303 -16.752 -15.803 73 HZ2 LYS 9 1HZ LYS 9 -9.985 -17.646 -14.402 74 HZ3 LYS 9 2HZ LYS 9 -8.723 -16.860 -15.208 75 H SER 10 H SER 10 -4.572 -15.320 -17.367 76 HA SER 10 HA SER 10 -5.690 -17.734 -18.240 77 HB2 SER 10 2HB SER 10 -2.789 -17.144 -18.703 78 HB3 SER 10 3HB SER 10 -3.989 -17.794 -19.820 79 HG SER 10 HG SER 10 -3.308 -15.201 -19.307 80 H LYS 11 H LYS 11 -2.905 -17.102 -16.143 81 HA LYS 11 HA LYS 11 -2.768 -19.976 -15.534 82 HB2 LYS 11 2HB LYS 11 -0.765 -17.866 -15.817 83 HB3 LYS 11 3HB LYS 11 -0.566 -18.804 -14.342 84 HG2 LYS 11 2HG LYS 11 0.637 -20.156 -15.662 85 HG3 LYS 11 3HG LYS 11 -0.943 -20.786 -16.136 86 HD2 LYS 11 2HD LYS 11 -0.533 -18.544 -17.750 87 HD3 LYS 11 3HD LYS 11 1.024 -19.376 -17.711 88 HE2 LYS 11 2HE LYS 11 0.087 -20.538 -19.416 89 HE3 LYS 11 3HE LYS 11 -0.573 -21.485 -18.083 90 HZ1 LYS 11 3HZ LYS 11 -2.141 -19.177 -18.878 91 HZ2 LYS 11 1HZ LYS 11 -2.643 -20.739 -18.466 92 HZ3 LYS 11 2HZ LYS 11 -2.057 -20.422 -20.020 93 H ASN 12 H ASN 12 -3.778 -16.997 -14.297 94 HA ASN 12 HA ASN 12 -4.637 -16.354 -12.291 95 HB2 ASN 12 2HB ASN 12 -5.225 -19.088 -12.512 96 HB3 ASN 12 3HB ASN 12 -4.597 -18.880 -10.880 97 HD21 ASN 12 2HD2 ASN 12 -7.780 -17.996 -9.871 98 HD22 ASN 12 1HD2 ASN 12 -6.421 -19.051 -9.722 99 H GLU 13 H GLU 13 -1.860 -16.181 -12.648 100 HA GLU 13 HA GLU 13 -0.990 -16.341 -9.857 101 HB2 GLU 13 2HB GLU 13 1.164 -17.246 -10.437 102 HB3 GLU 13 3HB GLU 13 -0.081 -18.315 -11.069 103 HG2 GLU 13 2HG GLU 13 0.199 -17.128 -13.278 104 HG3 GLU 13 3HG GLU 13 1.632 -16.371 -12.585 105 H CYS 14 H CYS 14 0.595 -14.812 -9.264 106 HA CYS 14 HA CYS 14 0.933 -12.620 -11.206 107 HB2 CYS 14 2HB CYS 14 -0.544 -12.244 -9.122 108 HB3 CYS 14 3HB CYS 14 0.968 -12.239 -8.221 109 H LYS 15 H LYS 15 2.928 -11.687 -11.429 110 HA LYS 15 HA LYS 15 5.110 -12.609 -9.713 111 HB2 LYS 15 2HB LYS 15 6.502 -13.276 -11.542 112 HB3 LYS 15 3HB LYS 15 4.968 -14.121 -11.709 113 HG2 LYS 15 2HG LYS 15 5.538 -11.565 -13.171 114 HG3 LYS 15 3HG LYS 15 6.002 -13.142 -13.813 115 HD2 LYS 15 2HD LYS 15 3.353 -13.457 -13.025 116 HD3 LYS 15 3HD LYS 15 3.409 -11.855 -13.763 117 HE2 LYS 15 2HE LYS 15 4.663 -12.973 -15.683 118 HE3 LYS 15 3HE LYS 15 4.146 -14.503 -14.977 119 HZ1 LYS 15 3HZ LYS 15 2.359 -12.319 -15.905 120 HZ2 LYS 15 1HZ LYS 15 1.844 -13.761 -15.185 121 HZ3 LYS 15 2HZ LYS 15 2.617 -13.796 -16.689 122 H TYR 16 H TYR 16 6.915 -11.230 -9.667 123 HA TYR 16 HA TYR 16 6.810 -8.770 -11.225 124 HB2 TYR 16 2HB TYR 16 7.012 -7.345 -9.237 125 HB3 TYR 16 3HB TYR 16 5.501 -8.248 -9.219 126 HD1 TYR 16 HD1 TYR 16 8.507 -7.480 -7.437 127 HD2 TYR 16 HD2 TYR 16 5.389 -10.354 -7.783 128 HE1 TYR 16 HE1 TYR 16 9.054 -8.334 -5.196 129 HE2 TYR 16 HE2 TYR 16 5.926 -11.215 -5.543 130 HH TYR 16 HH TYR 16 7.187 -10.979 -3.733 131 H LYS 17 H LYS 17 8.781 -7.383 -10.735 132 HA LYS 17 HA LYS 17 11.106 -9.120 -10.766 133 HB2 LYS 17 2HB LYS 17 10.695 -7.190 -12.387 134 HB3 LYS 17 3HB LYS 17 11.093 -6.119 -11.050 135 HG2 LYS 17 2HG LYS 17 13.223 -6.302 -11.617 136 HG3 LYS 17 3HG LYS 17 13.159 -8.002 -11.146 137 HD2 LYS 17 2HD LYS 17 13.819 -8.290 -13.298 138 HD3 LYS 17 3HD LYS 17 12.079 -8.200 -13.583 139 HE2 LYS 17 2HE LYS 17 12.195 -6.073 -14.448 140 HE3 LYS 17 3HE LYS 17 13.671 -5.680 -13.567 141 HZ1 LYS 17 3HZ LYS 17 13.768 -6.101 -16.101 142 HZ2 LYS 17 1HZ LYS 17 13.731 -7.736 -15.671 143 HZ3 LYS 17 2HZ LYS 17 14.980 -6.743 -15.111 144 H ASN 18 H ASN 18 12.585 -9.310 -9.187 145 HA ASN 18 HA ASN 18 12.275 -7.581 -6.820 146 HB2 ASN 18 2HB ASN 18 13.414 -9.662 -5.680 147 HB3 ASN 18 3HB ASN 18 11.679 -9.651 -5.983 148 HD21 ASN 18 2HD2 ASN 18 14.022 -12.442 -7.618 149 HD22 ASN 18 1HD2 ASN 18 14.570 -11.283 -6.461 150 H SER 19 H SER 19 14.390 -7.777 -5.411 151 HA SER 19 HA SER 19 16.447 -6.528 -6.891 152 HB2 SER 19 2HB SER 19 15.828 -6.958 -4.153 153 HB3 SER 19 3HB SER 19 17.469 -7.547 -4.416 154 HG SER 19 HG SER 19 17.831 -5.460 -4.114 155 H ALA 20 H ALA 20 15.979 -9.818 -5.739 156 HA ALA 20 HA ALA 20 18.559 -10.806 -6.228 157 HB1 ALA 20 1HB ALA 20 16.260 -12.617 -6.680 158 HB2 ALA 20 2HB ALA 20 17.712 -12.846 -5.706 159 HB3 ALA 20 3HB ALA 20 16.387 -11.856 -5.094 160 H GLY 21 H GLY 21 15.875 -10.168 -8.364 161 HA2 GLY 21 2HA GLY 21 16.086 -9.853 -10.687 162 HA3 GLY 21 3HA GLY 21 17.605 -10.736 -10.647 163 H LYS 22 H LYS 22 16.050 -12.793 -8.939 164 HA LYS 22 HA LYS 22 15.383 -14.495 -11.154 165 HB2 LYS 22 2HB LYS 22 15.958 -14.805 -8.350 166 HB3 LYS 22 3HB LYS 22 14.490 -15.684 -8.759 167 HG2 LYS 22 2HG LYS 22 15.935 -16.567 -10.753 168 HG3 LYS 22 3HG LYS 22 17.280 -16.104 -9.708 169 HD2 LYS 22 2HD LYS 22 15.076 -17.686 -8.501 170 HD3 LYS 22 3HD LYS 22 16.171 -18.518 -9.607 171 HE2 LYS 22 2HE LYS 22 17.094 -16.873 -7.258 172 HE3 LYS 22 3HE LYS 22 16.821 -18.613 -7.184 173 HZ1 LYS 22 3HZ LYS 22 18.611 -17.470 -9.228 174 HZ2 LYS 22 1HZ LYS 22 18.589 -19.036 -8.587 175 HZ3 LYS 22 2HZ LYS 22 19.176 -17.750 -7.659 176 H ASP 23 H ASP 23 13.509 -14.382 -12.185 177 HA ASP 23 HA ASP 23 11.259 -12.978 -11.383 178 HB2 ASP 23 2HB ASP 23 10.054 -14.529 -13.066 179 HB3 ASP 23 3HB ASP 23 11.353 -13.499 -13.661 180 H THR 24 H THR 24 9.676 -13.344 -9.976 181 HA THR 24 HA THR 24 9.330 -16.086 -8.948 182 HB THR 24 HB THR 24 10.310 -14.664 -7.227 183 HG1 THR 24 HG1 THR 24 8.750 -15.087 -5.646 184 HG21 THR 24 3HG2 THR 24 9.740 -12.530 -6.911 185 HG22 THR 24 1HG2 THR 24 8.036 -12.948 -6.738 186 HG23 THR 24 2HG2 THR 24 8.716 -12.663 -8.340 187 H PHE 25 H PHE 25 7.374 -16.946 -9.192 188 HA PHE 25 HA PHE 25 5.068 -15.152 -9.523 189 HB2 PHE 25 2HB PHE 25 4.183 -16.599 -11.289 190 HB3 PHE 25 3HB PHE 25 5.759 -15.958 -11.741 191 HD1 PHE 25 HD1 PHE 25 3.991 -18.958 -10.521 192 HD2 PHE 25 HD2 PHE 25 7.582 -17.388 -12.182 193 HE1 PHE 25 HE1 PHE 25 4.795 -21.246 -10.938 194 HE2 PHE 25 HE2 PHE 25 8.391 -19.673 -12.602 195 HZ PHE 25 HZ PHE 25 6.997 -21.606 -11.981 196 H ILE 26 H ILE 26 3.080 -15.949 -8.791 197 HA ILE 26 HA ILE 26 3.071 -18.545 -7.446 198 HB ILE 26 HB ILE 26 3.720 -16.961 -5.703 199 HG12 ILE 26 2HG1 ILE 26 1.874 -17.421 -4.109 200 HG13 ILE 26 3HG1 ILE 26 0.858 -17.917 -5.458 201 HG21 ILE 26 1HG2 ILE 26 2.024 -15.208 -7.037 202 HG22 ILE 26 2HG2 ILE 26 1.228 -15.516 -5.494 203 HG23 ILE 26 3HG2 ILE 26 2.883 -14.908 -5.527 204 HD11 ILE 26 3HD1 ILE 26 2.200 -19.650 -3.982 205 HD12 ILE 26 1HD1 ILE 26 1.923 -19.902 -5.705 206 HD13 ILE 26 2HD1 ILE 26 3.472 -19.271 -5.143 207 H LYS 27 H LYS 27 1.241 -19.613 -7.815 208 HA LYS 27 HA LYS 27 -0.942 -18.245 -9.159 209 HB2 LYS 27 2HB LYS 27 -1.791 -20.437 -9.666 210 HB3 LYS 27 3HB LYS 27 -0.061 -20.429 -9.982 211 HG2 LYS 27 2HG LYS 27 -0.047 -21.303 -7.447 212 HG3 LYS 27 3HG LYS 27 -1.617 -21.919 -7.970 213 HD2 LYS 27 2HD LYS 27 -0.054 -23.632 -8.432 214 HD3 LYS 27 3HD LYS 27 -0.421 -22.877 -9.985 215 HE2 LYS 27 2HE LYS 27 1.711 -22.320 -10.286 216 HE3 LYS 27 3HE LYS 27 1.783 -21.539 -8.708 217 HZ1 LYS 27 3HZ LYS 27 3.023 -23.888 -9.471 218 HZ2 LYS 27 1HZ LYS 27 1.789 -24.351 -8.409 219 HZ3 LYS 27 2HZ LYS 27 2.952 -23.227 -7.915 220 H CYS 28 H CYS 28 -3.075 -18.200 -8.438 221 HA CYS 28 HA CYS 28 -3.433 -18.794 -5.573 222 HB2 CYS 28 2HB CYS 28 -4.955 -16.672 -7.075 223 HB3 CYS 28 3HB CYS 28 -4.800 -16.876 -5.333 224 HA PRO 29 HA PRO 29 -6.734 -21.479 -6.683 225 HB2 PRO 29 2HB PRO 29 -8.184 -21.385 -4.390 226 HB3 PRO 29 3HB PRO 29 -6.645 -22.246 -4.519 227 HG2 PRO 29 2HG PRO 29 -7.207 -19.529 -3.394 228 HG3 PRO 29 3HG PRO 29 -6.159 -20.809 -2.756 229 HD2 PRO 29 2HD PRO 29 -5.192 -18.678 -4.119 230 HD3 PRO 29 3HD PRO 29 -4.431 -20.281 -4.187 231 H LYS 30 H LYS 30 -9.342 -21.385 -5.880 232 HA LYS 30 HA LYS 30 -10.308 -18.935 -7.191 233 HB2 LYS 30 2HB LYS 30 -11.617 -21.649 -6.936 234 HB3 LYS 30 3HB LYS 30 -12.343 -20.250 -7.717 235 HG2 LYS 30 2HG LYS 30 -9.990 -20.401 -9.042 236 HG3 LYS 30 3HG LYS 30 -10.286 -22.105 -8.688 237 HD2 LYS 30 2HD LYS 30 -11.345 -21.798 -10.736 238 HD3 LYS 30 3HD LYS 30 -12.666 -21.643 -9.576 239 HE2 LYS 30 2HE LYS 30 -12.808 -19.899 -11.258 240 HE3 LYS 30 3HE LYS 30 -12.453 -19.200 -9.679 241 HZ1 LYS 30 3HZ LYS 30 -10.264 -18.766 -10.279 242 HZ2 LYS 30 1HZ LYS 30 -11.132 -18.369 -11.676 243 HZ3 LYS 30 2HZ LYS 30 -10.293 -19.835 -11.590 244 H PHE 31 H PHE 31 -9.765 -19.792 -4.217 245 HA PHE 31 HA PHE 31 -12.379 -19.349 -3.044 246 HB2 PHE 31 2HB PHE 31 -10.241 -20.783 -2.200 247 HB3 PHE 31 3HB PHE 31 -9.982 -19.285 -1.313 248 HD1 PHE 31 HD1 PHE 31 -12.961 -21.362 -2.188 249 HD2 PHE 31 HD2 PHE 31 -10.715 -19.400 0.849 250 HE1 PHE 31 HE1 PHE 31 -14.613 -22.076 -0.510 251 HE2 PHE 31 HE2 PHE 31 -12.363 -20.111 2.532 252 HZ PHE 31 HZ PHE 31 -14.314 -21.452 1.853 253 H ASP 32 H ASP 32 -12.383 -17.748 -1.108 254 HA ASP 32 HA ASP 32 -12.177 -15.153 -2.132 255 HB2 ASP 32 2HB ASP 32 -12.735 -14.386 0.091 256 HB3 ASP 32 3HB ASP 32 -13.665 -15.842 -0.255 257 H ASN 33 H ASN 33 -10.833 -13.382 -1.415 258 HA ASN 33 HA ASN 33 -8.786 -12.404 -1.213 259 HB2 ASN 33 2HB ASN 33 -9.242 -13.121 1.154 260 HB3 ASN 33 3HB ASN 33 -8.275 -14.560 0.844 261 HD21 ASN 33 2HD2 ASN 33 -5.909 -12.378 2.409 262 HD22 ASN 33 1HD2 ASN 33 -7.222 -13.438 2.781 263 H LYS 34 H LYS 34 -9.131 -14.776 -3.035 264 HA LYS 34 HA LYS 34 -6.301 -15.102 -3.634 265 HB2 LYS 34 2HB LYS 34 -8.148 -17.340 -2.895 266 HB3 LYS 34 3HB LYS 34 -6.877 -17.624 -4.076 267 HG2 LYS 34 2HG LYS 34 -5.673 -18.171 -2.266 268 HG3 LYS 34 3HG LYS 34 -5.458 -16.425 -2.123 269 HD2 LYS 34 2HD LYS 34 -7.100 -16.248 -0.459 270 HD3 LYS 34 3HD LYS 34 -7.776 -17.834 -0.835 271 HE2 LYS 34 2HE LYS 34 -6.289 -18.908 0.463 272 HE3 LYS 34 3HE LYS 34 -4.953 -17.875 -0.046 273 HZ1 LYS 34 3HZ LYS 34 -5.850 -16.143 1.449 274 HZ2 LYS 34 1HZ LYS 34 -5.354 -17.538 2.269 275 HZ3 LYS 34 2HZ LYS 34 -7.000 -17.250 2.010 276 H LYS 35 H LYS 35 -8.461 -13.651 -4.867 277 HA LYS 35 HA LYS 35 -9.114 -15.166 -7.267 278 HB2 LYS 35 2HB LYS 35 -10.690 -13.522 -7.751 279 HB3 LYS 35 3HB LYS 35 -10.703 -13.567 -5.993 280 HG2 LYS 35 2HG LYS 35 -9.214 -11.614 -5.948 281 HG3 LYS 35 3HG LYS 35 -9.263 -11.557 -7.712 282 HD2 LYS 35 2HD LYS 35 -10.920 -10.059 -7.252 283 HD3 LYS 35 3HD LYS 35 -11.879 -11.541 -7.262 284 HE2 LYS 35 2HE LYS 35 -12.329 -11.395 -5.072 285 HE3 LYS 35 3HE LYS 35 -10.672 -10.948 -4.670 286 HZ1 LYS 35 3HZ LYS 35 -12.953 -9.230 -5.327 287 HZ2 LYS 35 1HZ LYS 35 -11.404 -8.698 -5.752 288 HZ3 LYS 35 2HZ LYS 35 -11.767 -9.038 -4.135 289 H CYS 36 H CYS 36 -8.587 -14.445 -9.381 290 HA CYS 36 HA CYS 36 -6.257 -12.645 -9.498 291 HB2 CYS 36 2HB CYS 36 -6.156 -15.320 -10.003 292 HB3 CYS 36 3HB CYS 36 -6.482 -14.688 -11.613 293 H THR 37 H THR 37 -6.354 -11.018 -10.923 294 HA THR 37 HA THR 37 -8.406 -11.110 -13.028 295 HB THR 37 HB THR 37 -9.040 -8.814 -12.629 296 HG1 THR 37 HG1 THR 37 -7.801 -8.449 -10.229 297 HG21 THR 37 3HG2 THR 37 -10.114 -9.020 -10.438 298 HG22 THR 37 1HG2 THR 37 -9.059 -10.376 -10.042 299 HG23 THR 37 2HG2 THR 37 -10.235 -10.526 -11.348 300 H LYS 38 H LYS 38 -7.981 -8.673 -14.182 301 HA LYS 38 HA LYS 38 -5.898 -9.060 -15.915 302 HB2 LYS 38 2HB LYS 38 -7.740 -6.960 -15.334 303 HB3 LYS 38 3HB LYS 38 -6.148 -6.246 -15.557 304 HG2 LYS 38 2HG LYS 38 -5.991 -6.959 -17.752 305 HG3 LYS 38 3HG LYS 38 -7.199 -8.226 -17.533 306 HD2 LYS 38 2HD LYS 38 -8.177 -5.499 -17.052 307 HD3 LYS 38 3HD LYS 38 -7.671 -5.820 -18.713 308 HE2 LYS 38 2HE LYS 38 -9.553 -6.934 -19.093 309 HE3 LYS 38 3HE LYS 38 -9.186 -8.042 -17.772 310 HZ1 LYS 38 3HZ LYS 38 -11.299 -6.992 -17.393 311 HZ2 LYS 38 1HZ LYS 38 -10.618 -5.451 -17.547 312 HZ3 LYS 38 2HZ LYS 38 -10.196 -6.435 -16.238 313 H ASP 39 H ASP 39 -3.756 -8.973 -15.789 314 HA ASP 39 HA ASP 39 -2.314 -8.633 -13.474 315 HB2 ASP 39 2HB ASP 39 -0.530 -7.826 -15.430 316 HB3 ASP 39 3HB ASP 39 -0.838 -9.488 -14.934 317 H ASN 40 H ASN 40 -2.937 -6.205 -15.993 318 HA ASN 40 HA ASN 40 -1.579 -4.129 -14.546 319 HB2 ASN 40 2HB ASN 40 -3.233 -4.212 -17.055 320 HB3 ASN 40 3HB ASN 40 -2.755 -2.674 -16.342 321 HD21 ASN 40 2HD2 ASN 40 0.396 -5.054 -17.354 322 HD22 ASN 40 1HD2 ASN 40 -0.892 -5.653 -16.370 323 H ASN 41 H ASN 41 -4.573 -5.585 -14.236 324 HA ASN 41 HA ASN 41 -6.333 -3.504 -13.705 325 HB2 ASN 41 2HB ASN 41 -7.075 -5.819 -13.849 326 HB3 ASN 41 3HB ASN 41 -6.168 -6.227 -12.396 327 HD21 ASN 41 2HD2 ASN 41 -8.939 -5.662 -10.438 328 HD22 ASN 41 1HD2 ASN 41 -7.565 -6.628 -10.843 329 H LYS 42 H LYS 42 -5.240 -5.469 -10.991 330 HA LYS 42 HA LYS 42 -4.114 -3.176 -9.621 331 HB2 LYS 42 2HB LYS 42 -6.677 -4.501 -8.765 332 HB3 LYS 42 3HB LYS 42 -5.638 -3.682 -7.606 333 HG2 LYS 42 2HG LYS 42 -5.819 -1.631 -9.033 334 HG3 LYS 42 3HG LYS 42 -7.043 -2.481 -9.978 335 HD2 LYS 42 2HD LYS 42 -8.021 -2.882 -7.510 336 HD3 LYS 42 3HD LYS 42 -7.191 -1.346 -7.251 337 HE2 LYS 42 2HE LYS 42 -9.256 -0.608 -7.926 338 HE3 LYS 42 3HE LYS 42 -8.410 -0.670 -9.471 339 HZ1 LYS 42 3HZ LYS 42 -9.392 -3.125 -9.379 340 HZ2 LYS 42 1HZ LYS 42 -10.238 -1.826 -10.054 341 HZ3 LYS 42 2HZ LYS 42 -10.581 -2.330 -8.477 342 H CYS 43 H CYS 43 -2.910 -5.526 -10.507 343 HA CYS 43 HA CYS 43 -2.715 -7.407 -8.339 344 HB2 CYS 43 2HB CYS 43 -2.426 -8.229 -10.588 345 HB3 CYS 43 3HB CYS 43 -1.126 -7.080 -10.889 346 H THR 44 H THR 44 -1.402 -7.309 -6.641 347 HA THR 44 HA THR 44 1.120 -5.871 -6.793 348 HB THR 44 HB THR 44 -0.324 -5.145 -4.351 349 HG1 THR 44 HG1 THR 44 -2.007 -4.242 -5.251 350 HG21 THR 44 3HG2 THR 44 0.554 -2.879 -5.050 351 HG22 THR 44 1HG2 THR 44 1.287 -3.683 -6.437 352 HG23 THR 44 2HG2 THR 44 1.775 -4.127 -4.801 353 H VAL 45 H VAL 45 2.412 -6.157 -4.773 354 HA VAL 45 HA VAL 45 1.898 -8.827 -3.652 355 HB VAL 45 HB VAL 45 4.004 -8.651 -4.866 356 HG11 VAL 45 1HG1 VAL 45 5.710 -7.123 -4.357 357 HG12 VAL 45 2HG1 VAL 45 4.232 -6.158 -4.365 358 HG13 VAL 45 3HG1 VAL 45 4.955 -6.655 -2.834 359 HG21 VAL 45 3HG2 VAL 45 3.692 -9.515 -2.192 360 HG22 VAL 45 1HG2 VAL 45 4.825 -10.109 -3.407 361 HG23 VAL 45 2HG2 VAL 45 5.297 -8.796 -2.328 362 H ASP 46 H ASP 46 1.117 -8.856 -1.659 363 HA ASP 46 HA ASP 46 2.190 -6.985 0.321 364 HB2 ASP 46 2HB ASP 46 -0.769 -7.517 -0.011 365 HB3 ASP 46 3HB ASP 46 -0.022 -6.475 1.196 366 H THR 47 H THR 47 2.079 -7.719 2.478 367 HA THR 47 HA THR 47 1.172 -10.476 2.884 368 HB THR 47 HB THR 47 3.337 -10.748 4.316 369 HG1 THR 47 HG1 THR 47 4.239 -8.874 2.367 370 HG21 THR 47 3HG2 THR 47 3.267 -10.889 1.304 371 HG22 THR 47 1HG2 THR 47 2.913 -12.180 2.451 372 HG23 THR 47 2HG2 THR 47 4.562 -11.578 2.283 373 H TYR 48 H TYR 48 0.825 -7.436 3.791 374 HA TYR 48 HA TYR 48 1.076 -7.646 6.647 375 HB2 TYR 48 2HB TYR 48 0.006 -5.571 4.762 376 HB3 TYR 48 3HB TYR 48 -0.319 -5.447 6.488 377 HD1 TYR 48 HD1 TYR 48 1.696 -4.172 4.076 378 HD2 TYR 48 HD2 TYR 48 2.029 -6.064 7.873 379 HE1 TYR 48 HE1 TYR 48 3.891 -3.111 4.406 380 HE2 TYR 48 HE2 TYR 48 4.223 -5.007 8.214 381 HH TYR 48 HH TYR 48 5.518 -3.160 7.441 382 H ASN 49 H ASN 49 -1.584 -7.704 4.310 383 HA ASN 49 HA ASN 49 -3.479 -8.313 6.451 384 HB2 ASN 49 2HB ASN 49 -5.154 -8.184 4.517 385 HB3 ASN 49 3HB ASN 49 -4.350 -6.687 4.977 386 HD21 ASN 49 2HD2 ASN 49 -3.976 -6.391 1.489 387 HD22 ASN 49 1HD2 ASN 49 -4.969 -5.979 2.841 388 H ASN 50 H ASN 50 -1.342 -10.075 4.910 389 HA ASN 50 HA ASN 50 -1.108 -12.307 4.525 390 HB2 ASN 50 2HB ASN 50 -2.176 -13.308 6.230 391 HB3 ASN 50 3HB ASN 50 -3.489 -12.134 6.196 392 HD21 ASN 50 2HD2 ASN 50 -5.624 -14.087 4.213 393 HD22 ASN 50 1HD2 ASN 50 -5.236 -12.487 4.739 394 H ALA 51 H ALA 51 -2.981 -10.298 2.855 395 HA ALA 51 HA ALA 51 -4.472 -12.057 1.176 396 HB1 ALA 51 1HB ALA 51 -3.702 -9.462 0.044 397 HB2 ALA 51 2HB ALA 51 -5.298 -10.183 0.256 398 HB3 ALA 51 3HB ALA 51 -4.507 -9.377 1.611 399 H VAL 52 H VAL 52 -3.997 -12.855 -0.842 400 HA VAL 52 HA VAL 52 -1.183 -13.143 -1.452 401 HB VAL 52 HB VAL 52 -2.839 -15.037 -1.612 402 HG11 VAL 52 1HG1 VAL 52 -4.230 -15.205 -3.585 403 HG12 VAL 52 2HG1 VAL 52 -4.643 -13.743 -2.687 404 HG13 VAL 52 3HG1 VAL 52 -3.664 -13.633 -4.151 405 HG21 VAL 52 3HG2 VAL 52 -1.733 -16.063 -3.437 406 HG22 VAL 52 1HG2 VAL 52 -1.417 -14.510 -4.210 407 HG23 VAL 52 2HG2 VAL 52 -0.570 -14.944 -2.725 408 H ASP 53 H ASP 53 -0.300 -12.753 -3.577 409 HA ASP 53 HA ASP 53 -1.238 -10.237 -4.670 410 HB2 ASP 53 2HB ASP 53 0.850 -10.491 -6.117 411 HB3 ASP 53 3HB ASP 53 1.108 -10.325 -4.383 412 H CYS 54 H CYS 54 -3.028 -10.552 -5.898 413 HA CYS 54 HA CYS 54 -2.663 -11.791 -8.467 414 HB2 CYS 54 2HB CYS 54 -4.324 -13.077 -6.349 415 HB3 CYS 54 3HB CYS 54 -4.923 -13.109 -8.004 416 H ASP 55 H ASP 55 -3.598 -10.480 -9.877 417 HA ASP 55 HA ASP 55 -6.239 -9.631 -9.839 418 HB2 ASP 55 2HB ASP 55 -4.537 -8.053 -8.130 419 HB3 ASP 55 3HB ASP 55 -5.143 -7.064 -9.455 Start of MODEL 17 1 H1 ALA 1 H ALA 1 -2.254 -0.258 -1.389 2 HA ALA 1 HA ALA 1 -0.945 -1.987 -3.277 3 HB1 ALA 1 1HB ALA 1 -1.537 0.853 -3.047 4 HB2 ALA 1 2HB ALA 1 0.063 0.534 -3.719 5 HB3 ALA 1 3HB ALA 1 -1.368 -0.158 -4.483 6 H LYS 2 H LYS 2 1.393 -1.681 -3.803 7 HA LYS 2 HA LYS 2 3.191 -0.720 -1.820 8 HB2 LYS 2 2HB LYS 2 2.526 -2.703 -0.608 9 HB3 LYS 2 3HB LYS 2 2.793 -3.709 -2.026 10 HG2 LYS 2 2HG LYS 2 4.834 -4.100 -1.266 11 HG3 LYS 2 3HG LYS 2 5.220 -2.410 -1.597 12 HD2 LYS 2 2HD LYS 2 5.739 -2.446 0.616 13 HD3 LYS 2 3HD LYS 2 4.015 -2.096 0.760 14 HE2 LYS 2 2HE LYS 2 5.410 -4.741 1.088 15 HE3 LYS 2 3HE LYS 2 4.485 -3.844 2.291 16 HZ1 LYS 2 3HZ LYS 2 2.483 -4.249 1.025 17 HZ2 LYS 2 1HZ LYS 2 3.240 -5.719 1.383 18 HZ3 LYS 2 2HZ LYS 2 3.357 -5.064 -0.172 19 H TYR 3 H TYR 3 3.515 -3.631 -3.815 20 HA TYR 3 HA TYR 3 5.549 -2.210 -5.399 21 HB2 TYR 3 2HB TYR 3 5.564 -4.758 -4.094 22 HB3 TYR 3 3HB TYR 3 5.725 -5.010 -5.829 23 HD1 TYR 3 HD1 TYR 3 7.554 -3.691 -7.049 24 HD2 TYR 3 HD2 TYR 3 7.411 -4.107 -2.817 25 HE1 TYR 3 HE1 TYR 3 9.941 -3.110 -6.918 26 HE2 TYR 3 HE2 TYR 3 9.797 -3.526 -2.674 27 HH TYR 3 HH TYR 3 11.441 -2.064 -4.375 28 H THR 4 H THR 4 5.759 -2.888 -7.672 29 HA THR 4 HA THR 4 3.153 -2.964 -8.924 30 HB THR 4 HB THR 4 4.926 -3.080 -11.000 31 HG1 THR 4 HG1 THR 4 6.711 -2.975 -9.553 32 HG21 THR 4 3HG2 THR 4 3.120 -1.458 -10.741 33 HG22 THR 4 1HG2 THR 4 4.629 -0.646 -11.155 34 HG23 THR 4 2HG2 THR 4 4.038 -0.617 -9.493 35 H GLY 5 H GLY 5 2.174 -4.732 -9.661 36 HA2 GLY 5 2HA GLY 5 3.783 -7.007 -10.557 37 HA3 GLY 5 3HA GLY 5 2.640 -7.287 -9.252 38 H LYS 6 H LYS 6 2.497 -8.673 -11.649 39 HA LYS 6 HA LYS 6 -0.134 -7.814 -12.576 40 HB2 LYS 6 2HB LYS 6 0.956 -8.665 -14.934 41 HB3 LYS 6 3HB LYS 6 0.757 -6.981 -14.468 42 HG2 LYS 6 2HG LYS 6 3.031 -6.906 -13.645 43 HG3 LYS 6 3HG LYS 6 3.241 -8.621 -14.007 44 HD2 LYS 6 2HD LYS 6 4.042 -7.942 -15.982 45 HD3 LYS 6 3HD LYS 6 2.364 -7.589 -16.402 46 HE2 LYS 6 2HE LYS 6 2.649 -5.298 -15.584 47 HE3 LYS 6 3HE LYS 6 4.324 -5.654 -15.168 48 HZ1 LYS 6 3HZ LYS 6 3.400 -4.701 -17.568 49 HZ2 LYS 6 1HZ LYS 6 3.761 -6.326 -17.875 50 HZ3 LYS 6 2HZ LYS 6 4.951 -5.298 -17.252 51 H CYS 7 H CYS 7 -1.503 -9.476 -12.788 52 HA CYS 7 HA CYS 7 -0.367 -12.195 -12.865 53 HB2 CYS 7 2HB CYS 7 -1.445 -12.628 -10.957 54 HB3 CYS 7 3HB CYS 7 -2.119 -11.001 -10.942 55 H THR 8 H THR 8 -1.286 -13.675 -14.231 56 HA THR 8 HA THR 8 -3.171 -12.580 -16.197 57 HB THR 8 HB THR 8 -1.127 -13.398 -17.190 58 HG1 THR 8 HG1 THR 8 -3.175 -13.857 -18.253 59 HG21 THR 8 3HG2 THR 8 -1.367 -16.214 -16.733 60 HG22 THR 8 1HG2 THR 8 -1.283 -15.377 -15.183 61 HG23 THR 8 2HG2 THR 8 -0.009 -15.145 -16.381 62 H LYS 9 H LYS 9 -5.223 -13.183 -16.097 63 HA LYS 9 HA LYS 9 -6.264 -15.012 -14.271 64 HB2 LYS 9 2HB LYS 9 -7.272 -13.399 -16.477 65 HB3 LYS 9 3HB LYS 9 -8.132 -14.926 -16.326 66 HG2 LYS 9 2HG LYS 9 -8.056 -14.110 -13.740 67 HG3 LYS 9 3HG LYS 9 -8.154 -12.566 -14.590 68 HD2 LYS 9 2HD LYS 9 -9.972 -14.684 -15.547 69 HD3 LYS 9 3HD LYS 9 -10.303 -14.058 -13.931 70 HE2 LYS 9 2HE LYS 9 -11.431 -12.441 -14.991 71 HE3 LYS 9 3HE LYS 9 -9.841 -11.769 -15.352 72 HZ1 LYS 9 3HZ LYS 9 -11.583 -12.245 -17.236 73 HZ2 LYS 9 1HZ LYS 9 -10.920 -13.800 -17.163 74 HZ3 LYS 9 2HZ LYS 9 -9.927 -12.472 -17.499 75 H SER 10 H SER 10 -4.792 -15.539 -17.320 76 HA SER 10 HA SER 10 -6.037 -17.960 -18.059 77 HB2 SER 10 2HB SER 10 -4.259 -16.326 -19.273 78 HB3 SER 10 3HB SER 10 -3.176 -17.615 -18.750 79 HG SER 10 HG SER 10 -5.032 -17.608 -20.740 80 H LYS 11 H LYS 11 -3.137 -17.269 -16.145 81 HA LYS 11 HA LYS 11 -2.988 -20.115 -15.420 82 HB2 LYS 11 2HB LYS 11 -0.940 -17.901 -15.300 83 HB3 LYS 11 3HB LYS 11 -0.695 -19.472 -14.549 84 HG2 LYS 11 2HG LYS 11 -0.644 -20.578 -16.613 85 HG3 LYS 11 3HG LYS 11 -1.347 -19.200 -17.464 86 HD2 LYS 11 2HD LYS 11 0.636 -18.033 -17.488 87 HD3 LYS 11 3HD LYS 11 1.261 -18.855 -16.056 88 HE2 LYS 11 2HE LYS 11 0.908 -20.855 -17.981 89 HE3 LYS 11 3HE LYS 11 1.621 -19.492 -18.843 90 HZ1 LYS 11 3HZ LYS 11 3.564 -20.096 -18.005 91 HZ2 LYS 11 1HZ LYS 11 2.851 -21.296 -17.048 92 HZ3 LYS 11 2HZ LYS 11 3.001 -19.719 -16.455 93 H ASN 12 H ASN 12 -4.308 -17.341 -14.308 94 HA ASN 12 HA ASN 12 -4.961 -16.537 -12.277 95 HB2 ASN 12 2HB ASN 12 -5.504 -19.294 -12.386 96 HB3 ASN 12 3HB ASN 12 -4.854 -19.001 -10.775 97 HD21 ASN 12 2HD2 ASN 12 -7.971 -18.024 -9.686 98 HD22 ASN 12 1HD2 ASN 12 -6.546 -18.977 -9.469 99 H GLU 13 H GLU 13 -2.137 -16.497 -12.767 100 HA GLU 13 HA GLU 13 -1.187 -16.563 -9.985 101 HB2 GLU 13 2HB GLU 13 0.976 -17.370 -10.678 102 HB3 GLU 13 3HB GLU 13 -0.256 -18.479 -11.264 103 HG2 GLU 13 2HG GLU 13 -0.130 -17.257 -13.468 104 HG3 GLU 13 3HG GLU 13 1.306 -16.454 -12.835 105 H CYS 14 H CYS 14 0.714 -15.146 -9.624 106 HA CYS 14 HA CYS 14 0.707 -12.829 -11.444 107 HB2 CYS 14 2HB CYS 14 -0.520 -12.561 -9.187 108 HB3 CYS 14 3HB CYS 14 1.088 -12.566 -8.471 109 H LYS 15 H LYS 15 2.660 -11.500 -11.337 110 HA LYS 15 HA LYS 15 5.027 -12.857 -10.279 111 HB2 LYS 15 2HB LYS 15 4.958 -11.806 -13.105 112 HB3 LYS 15 3HB LYS 15 6.223 -12.758 -12.339 113 HG2 LYS 15 2HG LYS 15 5.263 -14.457 -13.439 114 HG3 LYS 15 3HG LYS 15 4.125 -14.439 -12.090 115 HD2 LYS 15 2HD LYS 15 2.566 -14.254 -13.700 116 HD3 LYS 15 3HD LYS 15 3.045 -12.555 -13.729 117 HE2 LYS 15 2HE LYS 15 4.777 -13.233 -15.460 118 HE3 LYS 15 3HE LYS 15 3.927 -14.774 -15.559 119 HZ1 LYS 15 3HZ LYS 15 2.367 -12.311 -15.837 120 HZ2 LYS 15 1HZ LYS 15 2.127 -13.826 -16.551 121 HZ3 LYS 15 2HZ LYS 15 3.330 -12.794 -17.141 122 H TYR 16 H TYR 16 6.649 -11.502 -9.634 123 HA TYR 16 HA TYR 16 6.531 -8.678 -10.335 124 HB2 TYR 16 2HB TYR 16 6.434 -7.882 -8.082 125 HB3 TYR 16 3HB TYR 16 5.097 -9.007 -8.292 126 HD1 TYR 16 HD1 TYR 16 8.117 -8.268 -6.461 127 HD2 TYR 16 HD2 TYR 16 5.287 -11.320 -7.341 128 HE1 TYR 16 HE1 TYR 16 8.894 -9.543 -4.507 129 HE2 TYR 16 HE2 TYR 16 6.055 -12.604 -5.389 130 HH TYR 16 HH TYR 16 7.197 -12.137 -3.212 131 H LYS 17 H LYS 17 8.457 -7.505 -9.731 132 HA LYS 17 HA LYS 17 10.808 -9.206 -9.834 133 HB2 LYS 17 2HB LYS 17 10.686 -7.302 -11.350 134 HB3 LYS 17 3HB LYS 17 10.506 -6.202 -9.990 135 HG2 LYS 17 2HG LYS 17 12.701 -6.028 -9.780 136 HG3 LYS 17 3HG LYS 17 12.870 -7.780 -9.646 137 HD2 LYS 17 2HD LYS 17 13.073 -8.032 -11.992 138 HD3 LYS 17 3HD LYS 17 12.543 -6.374 -12.287 139 HE2 LYS 17 2HE LYS 17 14.622 -5.603 -12.095 140 HE3 LYS 17 3HE LYS 17 14.847 -6.427 -10.553 141 HZ1 LYS 17 3HZ LYS 17 16.451 -7.314 -11.989 142 HZ2 LYS 17 1HZ LYS 17 15.360 -7.475 -13.273 143 HZ3 LYS 17 2HZ LYS 17 15.239 -8.492 -11.927 144 H ASN 18 H ASN 18 11.949 -9.761 -8.106 145 HA ASN 18 HA ASN 18 11.627 -8.176 -5.646 146 HB2 ASN 18 2HB ASN 18 12.611 -10.403 -4.637 147 HB3 ASN 18 3HB ASN 18 10.900 -10.281 -5.036 148 HD21 ASN 18 2HD2 ASN 18 13.218 -13.021 -6.791 149 HD22 ASN 18 1HD2 ASN 18 13.745 -11.998 -5.502 150 H SER 19 H SER 19 13.649 -8.664 -4.129 151 HA SER 19 HA SER 19 15.804 -7.253 -5.182 152 HB2 SER 19 2HB SER 19 15.165 -8.587 -2.695 153 HB3 SER 19 3HB SER 19 16.862 -8.823 -3.111 154 HG SER 19 HG SER 19 15.465 -6.381 -2.789 155 H ALA 20 H ALA 20 15.226 -10.719 -4.997 156 HA ALA 20 HA ALA 20 17.776 -11.631 -5.692 157 HB1 ALA 20 1HB ALA 20 15.399 -13.099 -6.704 158 HB2 ALA 20 2HB ALA 20 16.836 -13.702 -5.877 159 HB3 ALA 20 3HB ALA 20 15.569 -12.886 -4.961 160 H GLY 21 H GLY 21 15.155 -10.383 -7.659 161 HA2 GLY 21 2HA GLY 21 15.462 -9.396 -9.779 162 HA3 GLY 21 3HA GLY 21 16.986 -10.258 -9.934 163 H LYS 22 H LYS 22 15.388 -12.718 -8.959 164 HA LYS 22 HA LYS 22 14.683 -13.599 -11.634 165 HB2 LYS 22 2HB LYS 22 15.876 -14.855 -9.516 166 HB3 LYS 22 3HB LYS 22 14.226 -15.450 -9.395 167 HG2 LYS 22 2HG LYS 22 14.312 -16.334 -11.616 168 HG3 LYS 22 3HG LYS 22 15.882 -15.579 -11.905 169 HD2 LYS 22 2HD LYS 22 15.593 -17.455 -9.607 170 HD3 LYS 22 3HD LYS 22 15.691 -18.121 -11.238 171 HE2 LYS 22 2HE LYS 22 17.678 -16.071 -10.371 172 HE3 LYS 22 3HE LYS 22 17.859 -17.734 -9.816 173 HZ1 LYS 22 3HZ LYS 22 18.964 -16.954 -12.022 174 HZ2 LYS 22 1HZ LYS 22 17.428 -17.227 -12.676 175 HZ3 LYS 22 2HZ LYS 22 18.263 -18.491 -11.923 176 H ASP 23 H ASP 23 12.698 -13.331 -12.390 177 HA ASP 23 HA ASP 23 10.491 -12.448 -10.987 178 HB2 ASP 23 2HB ASP 23 9.183 -13.556 -12.945 179 HB3 ASP 23 3HB ASP 23 10.308 -12.248 -13.300 180 H THR 24 H THR 24 8.979 -13.351 -9.728 181 HA THR 24 HA THR 24 9.062 -16.277 -9.385 182 HB THR 24 HB THR 24 9.757 -15.306 -7.337 183 HG1 THR 24 HG1 THR 24 7.973 -15.874 -5.958 184 HG21 THR 24 3HG2 THR 24 7.342 -13.497 -7.478 185 HG22 THR 24 1HG2 THR 24 9.004 -13.005 -7.802 186 HG23 THR 24 2HG2 THR 24 8.541 -13.539 -6.186 187 H PHE 25 H PHE 25 7.318 -17.352 -10.013 188 HA PHE 25 HA PHE 25 4.778 -15.883 -10.262 189 HB2 PHE 25 2HB PHE 25 4.153 -17.566 -11.960 190 HB3 PHE 25 3HB PHE 25 5.614 -16.689 -12.405 191 HD1 PHE 25 HD1 PHE 25 4.246 -19.904 -11.317 192 HD2 PHE 25 HD2 PHE 25 7.750 -17.793 -12.493 193 HE1 PHE 25 HE1 PHE 25 5.434 -22.040 -11.600 194 HE2 PHE 25 HE2 PHE 25 8.943 -19.925 -12.779 195 HZ PHE 25 HZ PHE 25 7.785 -22.053 -12.333 196 H ILE 26 H ILE 26 2.948 -16.668 -9.328 197 HA ILE 26 HA ILE 26 2.965 -19.312 -8.108 198 HB ILE 26 HB ILE 26 3.856 -17.935 -6.323 199 HG12 ILE 26 2HG1 ILE 26 2.153 -18.369 -4.600 200 HG13 ILE 26 3HG1 ILE 26 0.940 -18.597 -5.855 201 HG21 ILE 26 1HG2 ILE 26 3.253 -15.825 -5.980 202 HG22 ILE 26 2HG2 ILE 26 2.206 -15.955 -7.392 203 HG23 ILE 26 3HG2 ILE 26 1.561 -16.283 -5.784 204 HD11 ILE 26 3HD1 ILE 26 1.597 -20.690 -6.275 205 HD12 ILE 26 1HD1 ILE 26 3.309 -20.291 -6.135 206 HD13 ILE 26 2HD1 ILE 26 2.350 -20.586 -4.684 207 H LYS 27 H LYS 27 1.072 -20.267 -8.438 208 HA LYS 27 HA LYS 27 -1.144 -18.754 -9.500 209 HB2 LYS 27 2HB LYS 27 -2.226 -20.963 -9.742 210 HB3 LYS 27 3HB LYS 27 -0.630 -20.912 -10.478 211 HG2 LYS 27 2HG LYS 27 -0.497 -21.796 -7.731 212 HG3 LYS 27 3HG LYS 27 -1.584 -22.803 -8.690 213 HD2 LYS 27 2HD LYS 27 0.094 -23.627 -9.966 214 HD3 LYS 27 3HD LYS 27 0.988 -22.105 -9.958 215 HE2 LYS 27 2HE LYS 27 1.372 -22.699 -7.437 216 HE3 LYS 27 3HE LYS 27 1.010 -24.338 -7.977 217 HZ1 LYS 27 3HZ LYS 27 2.885 -22.983 -9.673 218 HZ2 LYS 27 1HZ LYS 27 2.985 -24.514 -8.960 219 HZ3 LYS 27 2HZ LYS 27 3.441 -23.141 -8.083 220 H CYS 28 H CYS 28 -3.188 -18.538 -8.591 221 HA CYS 28 HA CYS 28 -3.340 -19.115 -5.704 222 HB2 CYS 28 2HB CYS 28 -4.804 -16.871 -7.087 223 HB3 CYS 28 3HB CYS 28 -4.548 -17.100 -5.360 224 HA PRO 29 HA PRO 29 -6.936 -21.518 -6.492 225 HB2 PRO 29 2HB PRO 29 -8.198 -21.263 -4.102 226 HB3 PRO 29 3HB PRO 29 -6.749 -22.251 -4.322 227 HG2 PRO 29 2HG PRO 29 -7.002 -19.477 -3.225 228 HG3 PRO 29 3HG PRO 29 -6.017 -20.828 -2.634 229 HD2 PRO 29 2HD PRO 29 -4.984 -18.809 -4.114 230 HD3 PRO 29 3HD PRO 29 -4.363 -20.471 -4.199 231 H LYS 30 H LYS 30 -9.460 -21.211 -5.542 232 HA LYS 30 HA LYS 30 -10.313 -18.685 -6.791 233 HB2 LYS 30 2HB LYS 30 -11.805 -21.299 -6.493 234 HB3 LYS 30 3HB LYS 30 -12.460 -19.841 -7.227 235 HG2 LYS 30 2HG LYS 30 -9.959 -21.124 -8.265 236 HG3 LYS 30 3HG LYS 30 -11.560 -21.667 -8.770 237 HD2 LYS 30 2HD LYS 30 -10.939 -18.756 -8.889 238 HD3 LYS 30 3HD LYS 30 -10.247 -19.817 -10.118 239 HE2 LYS 30 2HE LYS 30 -12.194 -19.415 -11.182 240 HE3 LYS 30 3HE LYS 30 -12.800 -20.683 -10.118 241 HZ1 LYS 30 3HZ LYS 30 -13.317 -17.826 -10.078 242 HZ2 LYS 30 1HZ LYS 30 -13.104 -18.549 -8.563 243 HZ3 LYS 30 2HZ LYS 30 -14.308 -19.114 -9.608 244 H PHE 31 H PHE 31 -9.665 -19.583 -3.863 245 HA PHE 31 HA PHE 31 -12.175 -19.024 -2.532 246 HB2 PHE 31 2HB PHE 31 -10.061 -20.541 -1.811 247 HB3 PHE 31 3HB PHE 31 -9.655 -19.045 -0.975 248 HD1 PHE 31 HD1 PHE 31 -10.295 -18.967 1.216 249 HD2 PHE 31 HD2 PHE 31 -12.726 -21.092 -1.558 250 HE1 PHE 31 HE1 PHE 31 -11.843 -19.563 3.034 251 HE2 PHE 31 HE2 PHE 31 -14.278 -21.690 0.255 252 HZ PHE 31 HZ PHE 31 -13.838 -20.924 2.554 253 H ASP 32 H ASP 32 -12.001 -17.412 -0.615 254 HA ASP 32 HA ASP 32 -11.801 -14.833 -1.651 255 HB2 ASP 32 2HB ASP 32 -12.072 -15.990 1.079 256 HB3 ASP 32 3HB ASP 32 -11.612 -14.294 0.956 257 H ASN 33 H ASN 33 -10.336 -13.110 -1.154 258 HA ASN 33 HA ASN 33 -8.253 -12.190 -1.163 259 HB2 ASN 33 2HB ASN 33 -8.560 -12.948 1.270 260 HB3 ASN 33 3HB ASN 33 -7.489 -14.286 0.864 261 HD21 ASN 33 2HD2 ASN 33 -5.424 -11.629 2.308 262 HD22 ASN 33 1HD2 ASN 33 -6.721 -12.648 2.822 263 H LYS 34 H LYS 34 -8.838 -14.631 -2.848 264 HA LYS 34 HA LYS 34 -6.065 -15.104 -3.643 265 HB2 LYS 34 2HB LYS 34 -8.072 -17.337 -3.285 266 HB3 LYS 34 3HB LYS 34 -6.428 -17.507 -3.886 267 HG2 LYS 34 2HG LYS 34 -6.964 -16.371 -1.170 268 HG3 LYS 34 3HG LYS 34 -6.916 -18.114 -1.441 269 HD2 LYS 34 2HD LYS 34 -4.652 -17.825 -2.445 270 HD3 LYS 34 3HD LYS 34 -4.710 -16.125 -1.971 271 HE2 LYS 34 2HE LYS 34 -3.470 -17.529 -0.363 272 HE3 LYS 34 3HE LYS 34 -4.871 -16.737 0.358 273 HZ1 LYS 34 3HZ LYS 34 -4.587 -19.117 0.971 274 HZ2 LYS 34 1HZ LYS 34 -4.902 -19.531 -0.639 275 HZ3 LYS 34 2HZ LYS 34 -6.090 -18.757 0.283 276 H LYS 35 H LYS 35 -8.190 -13.480 -4.738 277 HA LYS 35 HA LYS 35 -9.085 -14.902 -7.113 278 HB2 LYS 35 2HB LYS 35 -10.537 -13.127 -7.496 279 HB3 LYS 35 3HB LYS 35 -10.448 -13.174 -5.740 280 HG2 LYS 35 2HG LYS 35 -8.782 -11.363 -5.800 281 HG3 LYS 35 3HG LYS 35 -8.953 -11.292 -7.556 282 HD2 LYS 35 2HD LYS 35 -10.414 -9.638 -6.933 283 HD3 LYS 35 3HD LYS 35 -11.505 -11.025 -6.962 284 HE2 LYS 35 2HE LYS 35 -12.056 -10.331 -4.895 285 HE3 LYS 35 3HE LYS 35 -10.573 -11.160 -4.422 286 HZ1 LYS 35 3HZ LYS 35 -9.458 -9.208 -4.149 287 HZ2 LYS 35 1HZ LYS 35 -11.015 -8.686 -3.744 288 HZ3 LYS 35 2HZ LYS 35 -10.389 -8.366 -5.282 289 H CYS 36 H CYS 36 -8.588 -14.247 -9.244 290 HA CYS 36 HA CYS 36 -6.123 -12.648 -9.481 291 HB2 CYS 36 2HB CYS 36 -6.254 -15.306 -9.981 292 HB3 CYS 36 3HB CYS 36 -6.673 -14.671 -11.569 293 H THR 37 H THR 37 -6.039 -11.119 -11.054 294 HA THR 37 HA THR 37 -8.296 -10.941 -12.930 295 HB THR 37 HB THR 37 -7.305 -8.341 -11.985 296 HG1 THR 37 HG1 THR 37 -8.770 -10.060 -10.241 297 HG21 THR 37 3HG2 THR 37 -9.172 -8.037 -13.238 298 HG22 THR 37 1HG2 THR 37 -9.977 -8.286 -11.689 299 HG23 THR 37 2HG2 THR 37 -9.834 -9.620 -12.834 300 H LYS 38 H LYS 38 -7.659 -8.696 -14.285 301 HA LYS 38 HA LYS 38 -5.749 -9.487 -16.112 302 HB2 LYS 38 2HB LYS 38 -7.461 -7.293 -15.787 303 HB3 LYS 38 3HB LYS 38 -5.852 -6.599 -15.943 304 HG2 LYS 38 2HG LYS 38 -5.544 -7.489 -18.076 305 HG3 LYS 38 3HG LYS 38 -6.851 -8.659 -17.876 306 HD2 LYS 38 2HD LYS 38 -7.417 -5.719 -17.795 307 HD3 LYS 38 3HD LYS 38 -7.244 -6.555 -19.341 308 HE2 LYS 38 2HE LYS 38 -8.966 -8.205 -18.463 309 HE3 LYS 38 3HE LYS 38 -9.264 -7.048 -17.167 310 HZ1 LYS 38 3HZ LYS 38 -10.731 -6.929 -19.229 311 HZ2 LYS 38 1HZ LYS 38 -9.396 -6.237 -20.004 312 HZ3 LYS 38 2HZ LYS 38 -10.078 -5.478 -18.655 313 H ASP 39 H ASP 39 -3.620 -8.765 -16.575 314 HA ASP 39 HA ASP 39 -1.843 -8.812 -14.442 315 HB2 ASP 39 2HB ASP 39 -0.244 -7.727 -16.211 316 HB3 ASP 39 3HB ASP 39 -0.858 -9.358 -16.467 317 H ASN 40 H ASN 40 -2.750 -5.988 -16.426 318 HA ASN 40 HA ASN 40 -1.511 -4.180 -14.544 319 HB2 ASN 40 2HB ASN 40 -3.282 -3.388 -16.851 320 HB3 ASN 40 3HB ASN 40 -1.987 -2.460 -16.099 321 HD21 ASN 40 2HD2 ASN 40 0.434 -4.892 -17.589 322 HD22 ASN 40 1HD2 ASN 40 -0.092 -4.569 -15.975 323 H ASN 41 H ASN 41 -4.378 -5.803 -14.583 324 HA ASN 41 HA ASN 41 -6.371 -4.009 -13.971 325 HB2 ASN 41 2HB ASN 41 -6.775 -6.409 -14.215 326 HB3 ASN 41 3HB ASN 41 -5.895 -6.725 -12.723 327 HD21 ASN 41 2HD2 ASN 41 -8.582 -6.106 -10.640 328 HD22 ASN 41 1HD2 ASN 41 -6.928 -6.572 -10.822 329 H LYS 42 H LYS 42 -5.160 -5.919 -11.277 330 HA LYS 42 HA LYS 42 -4.291 -3.585 -9.806 331 HB2 LYS 42 2HB LYS 42 -6.802 -5.088 -9.099 332 HB3 LYS 42 3HB LYS 42 -5.882 -4.209 -7.884 333 HG2 LYS 42 2HG LYS 42 -6.106 -2.205 -9.493 334 HG3 LYS 42 3HG LYS 42 -7.401 -3.149 -10.231 335 HD2 LYS 42 2HD LYS 42 -8.306 -3.380 -7.829 336 HD3 LYS 42 3HD LYS 42 -7.227 -2.035 -7.451 337 HE2 LYS 42 2HE LYS 42 -8.829 -0.660 -8.150 338 HE3 LYS 42 3HE LYS 42 -8.554 -1.269 -9.781 339 HZ1 LYS 42 3HZ LYS 42 -10.910 -1.375 -8.748 340 HZ2 LYS 42 1HZ LYS 42 -10.323 -2.751 -7.957 341 HZ3 LYS 42 2HZ LYS 42 -10.338 -2.689 -9.647 342 H CYS 43 H CYS 43 -3.020 -5.977 -10.705 343 HA CYS 43 HA CYS 43 -2.760 -7.760 -8.457 344 HB2 CYS 43 2HB CYS 43 -2.505 -8.746 -10.614 345 HB3 CYS 43 3HB CYS 43 -1.316 -7.541 -11.098 346 H THR 44 H THR 44 -1.359 -7.622 -6.827 347 HA THR 44 HA THR 44 1.109 -6.111 -7.113 348 HB THR 44 HB THR 44 0.481 -5.046 -4.769 349 HG1 THR 44 HG1 THR 44 -1.572 -5.765 -4.485 350 HG21 THR 44 3HG2 THR 44 0.698 -4.118 -7.358 351 HG22 THR 44 1HG2 THR 44 0.562 -3.119 -5.911 352 HG23 THR 44 2HG2 THR 44 -0.879 -3.517 -6.846 353 H VAL 45 H VAL 45 2.574 -6.418 -5.288 354 HA VAL 45 HA VAL 45 2.110 -9.017 -3.988 355 HB VAL 45 HB VAL 45 4.073 -8.971 -5.433 356 HG11 VAL 45 1HG1 VAL 45 5.313 -6.924 -3.622 357 HG12 VAL 45 2HG1 VAL 45 5.861 -7.475 -5.206 358 HG13 VAL 45 3HG1 VAL 45 4.423 -6.462 -5.072 359 HG21 VAL 45 3HG2 VAL 45 4.913 -10.422 -3.976 360 HG22 VAL 45 1HG2 VAL 45 5.688 -9.084 -3.126 361 HG23 VAL 45 2HG2 VAL 45 4.076 -9.618 -2.648 362 H ASP 46 H ASP 46 1.533 -8.910 -1.929 363 HA ASP 46 HA ASP 46 2.906 -7.032 -0.158 364 HB2 ASP 46 2HB ASP 46 -0.099 -7.292 -0.371 365 HB3 ASP 46 3HB ASP 46 0.731 -6.468 0.946 366 H THR 47 H THR 47 3.290 -7.814 1.860 367 HA THR 47 HA THR 47 2.199 -10.483 2.479 368 HB THR 47 HB THR 47 4.594 -10.601 1.920 369 HG1 THR 47 HG1 THR 47 3.756 -12.026 3.514 370 HG21 THR 47 3HG2 THR 47 4.789 -8.179 3.208 371 HG22 THR 47 1HG2 THR 47 6.147 -9.191 2.717 372 HG23 THR 47 2HG2 THR 47 5.520 -9.294 4.362 373 H TYR 48 H TYR 48 2.537 -7.262 3.470 374 HA TYR 48 HA TYR 48 2.382 -7.728 6.304 375 HB2 TYR 48 2HB TYR 48 2.538 -5.392 4.514 376 HB3 TYR 48 3HB TYR 48 1.612 -5.131 5.987 377 HD1 TYR 48 HD1 TYR 48 2.926 -6.393 8.100 378 HD2 TYR 48 HD2 TYR 48 4.695 -4.611 4.666 379 HE1 TYR 48 HE1 TYR 48 5.013 -6.056 9.357 380 HE2 TYR 48 HE2 TYR 48 6.787 -4.271 5.913 381 HH TYR 48 HH TYR 48 7.888 -4.676 7.807 382 H ASN 49 H ASN 49 0.148 -7.358 3.683 383 HA ASN 49 HA ASN 49 -2.110 -6.923 5.474 384 HB2 ASN 49 2HB ASN 49 -1.630 -5.993 2.976 385 HB3 ASN 49 3HB ASN 49 -2.599 -7.415 2.598 386 HD21 ASN 49 2HD2 ASN 49 -5.354 -5.322 2.935 387 HD22 ASN 49 1HD2 ASN 49 -4.338 -6.233 1.876 388 H ASN 50 H ASN 50 -0.354 -9.513 4.570 389 HA ASN 50 HA ASN 50 -0.687 -11.761 4.690 390 HB2 ASN 50 2HB ASN 50 -1.868 -11.772 6.659 391 HB3 ASN 50 3HB ASN 50 -3.113 -10.689 6.044 392 HD21 ASN 50 2HD2 ASN 50 -5.222 -13.212 4.912 393 HD22 ASN 50 1HD2 ASN 50 -4.855 -11.524 4.933 394 H ALA 51 H ALA 51 -2.061 -9.801 2.553 395 HA ALA 51 HA ALA 51 -3.815 -11.733 1.260 396 HB1 ALA 51 1HB ALA 51 -3.344 -9.406 -0.338 397 HB2 ALA 51 2HB ALA 51 -4.831 -9.936 0.449 398 HB3 ALA 51 3HB ALA 51 -3.683 -8.925 1.326 399 H VAL 52 H VAL 52 -3.420 -12.702 -0.707 400 HA VAL 52 HA VAL 52 -0.638 -13.032 -1.402 401 HB VAL 52 HB VAL 52 -2.997 -14.203 -2.867 402 HG11 VAL 52 1HG1 VAL 52 -0.068 -14.747 -2.739 403 HG12 VAL 52 2HG1 VAL 52 -1.180 -16.080 -3.059 404 HG13 VAL 52 3HG1 VAL 52 -1.143 -14.684 -4.136 405 HG21 VAL 52 3HG2 VAL 52 -1.864 -14.885 -0.213 406 HG22 VAL 52 1HG2 VAL 52 -3.514 -15.039 -0.816 407 HG23 VAL 52 2HG2 VAL 52 -2.291 -16.220 -1.283 408 H ASP 53 H ASP 53 0.162 -12.827 -3.598 409 HA ASP 53 HA ASP 53 -0.741 -10.357 -4.809 410 HB2 ASP 53 2HB ASP 53 1.384 -11.890 -6.159 411 HB3 ASP 53 3HB ASP 53 1.345 -10.196 -5.680 412 H CYS 54 H CYS 54 -2.656 -10.734 -5.849 413 HA CYS 54 HA CYS 54 -2.506 -12.025 -8.401 414 HB2 CYS 54 2HB CYS 54 -3.805 -13.387 -6.112 415 HB3 CYS 54 3HB CYS 54 -4.708 -13.379 -7.624 416 H ASP 55 H ASP 55 -3.588 -10.727 -9.712 417 HA ASP 55 HA ASP 55 -6.243 -10.020 -9.535 418 HB2 ASP 55 2HB ASP 55 -4.543 -8.364 -7.848 419 HB3 ASP 55 3HB ASP 55 -5.424 -7.410 -9.038 Start of MODEL 18 1 H1 ALA 1 H ALA 1 -0.323 -2.369 -0.286 2 HA ALA 1 HA ALA 1 0.251 -1.528 -2.702 3 HB1 ALA 1 1HB ALA 1 -0.602 0.790 -1.316 4 HB2 ALA 1 2HB ALA 1 1.111 0.986 -1.692 5 HB3 ALA 1 3HB ALA 1 -0.043 0.651 -2.983 6 H LYS 2 H LYS 2 2.285 -2.128 -3.073 7 HA LYS 2 HA LYS 2 4.405 -1.464 -1.209 8 HB2 LYS 2 2HB LYS 2 3.277 -4.187 -1.495 9 HB3 LYS 2 3HB LYS 2 5.032 -4.075 -1.504 10 HG2 LYS 2 2HG LYS 2 3.301 -2.880 0.645 11 HG3 LYS 2 3HG LYS 2 4.007 -4.496 0.734 12 HD2 LYS 2 2HD LYS 2 5.582 -1.947 0.378 13 HD3 LYS 2 3HD LYS 2 5.340 -2.773 1.919 14 HE2 LYS 2 2HE LYS 2 7.291 -3.771 1.386 15 HE3 LYS 2 3HE LYS 2 6.254 -4.817 0.418 16 HZ1 LYS 2 3HZ LYS 2 8.353 -3.537 -0.569 17 HZ2 LYS 2 1HZ LYS 2 7.163 -2.370 -0.863 18 HZ3 LYS 2 2HZ LYS 2 6.995 -3.928 -1.499 19 H TYR 3 H TYR 3 4.084 -3.965 -3.718 20 HA TYR 3 HA TYR 3 6.091 -2.499 -5.303 21 HB2 TYR 3 2HB TYR 3 6.414 -4.992 -4.141 22 HB3 TYR 3 3HB TYR 3 5.989 -5.372 -5.806 23 HD1 TYR 3 HD1 TYR 3 7.418 -4.574 -7.662 24 HD2 TYR 3 HD2 TYR 3 8.530 -4.024 -3.592 25 HE1 TYR 3 HE1 TYR 3 9.731 -4.117 -8.362 26 HE2 TYR 3 HE2 TYR 3 10.846 -3.565 -4.281 27 HH TYR 3 HH TYR 3 11.840 -2.613 -6.875 28 H THR 4 H THR 4 6.026 -2.948 -7.632 29 HA THR 4 HA THR 4 3.267 -3.020 -8.559 30 HB THR 4 HB THR 4 5.499 -2.677 -10.491 31 HG1 THR 4 HG1 THR 4 5.425 -0.344 -9.734 32 HG21 THR 4 3HG2 THR 4 4.004 -1.046 -11.455 33 HG22 THR 4 1HG2 THR 4 2.947 -1.125 -10.046 34 HG23 THR 4 2HG2 THR 4 3.098 -2.520 -11.116 35 H GLY 5 H GLY 5 2.381 -4.871 -9.187 36 HA2 GLY 5 2HA GLY 5 4.061 -6.801 -10.648 37 HA3 GLY 5 3HA GLY 5 3.047 -7.344 -9.320 38 H LYS 6 H LYS 6 2.673 -8.552 -11.673 39 HA LYS 6 HA LYS 6 -0.000 -7.654 -12.405 40 HB2 LYS 6 2HB LYS 6 0.366 -7.446 -14.686 41 HB3 LYS 6 3HB LYS 6 1.828 -6.733 -14.016 42 HG2 LYS 6 2HG LYS 6 1.599 -9.575 -14.983 43 HG3 LYS 6 3HG LYS 6 2.248 -8.234 -15.930 44 HD2 LYS 6 2HD LYS 6 3.341 -9.232 -13.299 45 HD3 LYS 6 3HD LYS 6 4.034 -9.548 -14.892 46 HE2 LYS 6 2HE LYS 6 4.042 -6.944 -15.083 47 HE3 LYS 6 3HE LYS 6 3.949 -7.005 -13.324 48 HZ1 LYS 6 3HZ LYS 6 6.028 -7.875 -13.150 49 HZ2 LYS 6 1HZ LYS 6 6.241 -6.985 -14.573 50 HZ3 LYS 6 2HZ LYS 6 5.971 -8.652 -14.651 51 H CYS 7 H CYS 7 -1.372 -9.313 -12.636 52 HA CYS 7 HA CYS 7 -0.225 -12.015 -12.906 53 HB2 CYS 7 2HB CYS 7 -1.220 -12.549 -10.978 54 HB3 CYS 7 3HB CYS 7 -1.901 -10.931 -10.855 55 H THR 8 H THR 8 -1.168 -13.418 -14.325 56 HA THR 8 HA THR 8 -3.161 -12.252 -16.138 57 HB THR 8 HB THR 8 -1.135 -12.975 -17.252 58 HG1 THR 8 HG1 THR 8 -3.388 -13.486 -18.100 59 HG21 THR 8 3HG2 THR 8 -1.349 -15.817 -16.984 60 HG22 THR 8 1HG2 THR 8 -1.211 -15.090 -15.384 61 HG23 THR 8 2HG2 THR 8 0.018 -14.769 -16.607 62 H LYS 9 H LYS 9 -5.195 -12.902 -15.984 63 HA LYS 9 HA LYS 9 -6.139 -14.828 -14.220 64 HB2 LYS 9 2HB LYS 9 -7.306 -12.935 -15.761 65 HB3 LYS 9 3HB LYS 9 -7.757 -14.380 -16.656 66 HG2 LYS 9 2HG LYS 9 -8.171 -14.549 -13.757 67 HG3 LYS 9 3HG LYS 9 -9.161 -13.346 -14.587 68 HD2 LYS 9 2HD LYS 9 -10.348 -14.910 -15.721 69 HD3 LYS 9 3HD LYS 9 -8.969 -16.002 -15.871 70 HE2 LYS 9 2HE LYS 9 -9.728 -17.210 -14.170 71 HE3 LYS 9 3HE LYS 9 -9.653 -15.797 -13.118 72 HZ1 LYS 9 3HZ LYS 9 -11.907 -17.093 -13.717 73 HZ2 LYS 9 1HZ LYS 9 -11.931 -15.890 -14.906 74 HZ3 LYS 9 2HZ LYS 9 -11.853 -15.462 -13.272 75 H SER 10 H SER 10 -4.772 -15.203 -17.350 76 HA SER 10 HA SER 10 -5.958 -17.602 -18.175 77 HB2 SER 10 2HB SER 10 -3.078 -16.880 -18.712 78 HB3 SER 10 3HB SER 10 -4.185 -17.789 -19.740 79 HG SER 10 HG SER 10 -3.701 -15.289 -19.957 80 H LYS 11 H LYS 11 -3.098 -17.001 -16.174 81 HA LYS 11 HA LYS 11 -2.971 -19.876 -15.566 82 HB2 LYS 11 2HB LYS 11 -0.964 -18.063 -16.254 83 HB3 LYS 11 3HB LYS 11 -0.773 -18.291 -14.521 84 HG2 LYS 11 2HG LYS 11 0.581 -19.940 -15.378 85 HG3 LYS 11 3HG LYS 11 -0.924 -20.817 -15.093 86 HD2 LYS 11 2HD LYS 11 -0.934 -21.416 -17.233 87 HD3 LYS 11 3HD LYS 11 -1.113 -19.717 -17.679 88 HE2 LYS 11 2HE LYS 11 0.797 -20.656 -18.819 89 HE3 LYS 11 3HE LYS 11 1.343 -19.479 -17.626 90 HZ1 LYS 11 3HZ LYS 11 2.462 -21.823 -17.830 91 HZ2 LYS 11 1HZ LYS 11 1.184 -22.291 -16.824 92 HZ3 LYS 11 2HZ LYS 11 2.259 -21.086 -16.321 93 H ASN 12 H ASN 12 -3.916 -16.887 -14.300 94 HA ASN 12 HA ASN 12 -4.706 -16.236 -12.270 95 HB2 ASN 12 2HB ASN 12 -5.357 -18.943 -12.483 96 HB3 ASN 12 3HB ASN 12 -4.635 -18.786 -10.884 97 HD21 ASN 12 2HD2 ASN 12 -7.703 -17.810 -9.646 98 HD22 ASN 12 1HD2 ASN 12 -6.339 -18.868 -9.572 99 H GLU 13 H GLU 13 -1.948 -16.070 -12.703 100 HA GLU 13 HA GLU 13 -0.992 -16.258 -9.942 101 HB2 GLU 13 2HB GLU 13 1.150 -17.150 -10.610 102 HB3 GLU 13 3HB GLU 13 -0.121 -18.223 -11.180 103 HG2 GLU 13 2HG GLU 13 0.082 -16.868 -13.384 104 HG3 GLU 13 3HG GLU 13 1.653 -16.399 -12.737 105 H CYS 14 H CYS 14 0.727 -14.794 -9.434 106 HA CYS 14 HA CYS 14 0.968 -12.564 -11.347 107 HB2 CYS 14 2HB CYS 14 -0.419 -12.213 -9.186 108 HB3 CYS 14 3HB CYS 14 1.140 -12.198 -8.368 109 H LYS 15 H LYS 15 2.947 -11.370 -11.297 110 HA LYS 15 HA LYS 15 5.179 -12.416 -9.785 111 HB2 LYS 15 2HB LYS 15 6.540 -13.025 -11.676 112 HB3 LYS 15 3HB LYS 15 5.031 -13.926 -11.759 113 HG2 LYS 15 2HG LYS 15 5.376 -11.357 -13.257 114 HG3 LYS 15 3HG LYS 15 5.965 -12.887 -13.911 115 HD2 LYS 15 2HD LYS 15 3.484 -13.630 -13.217 116 HD3 LYS 15 3HD LYS 15 3.195 -11.918 -13.535 117 HE2 LYS 15 2HE LYS 15 3.218 -12.296 -15.722 118 HE3 LYS 15 3HE LYS 15 4.842 -12.975 -15.609 119 HZ1 LYS 15 3HZ LYS 15 2.707 -14.730 -14.745 120 HZ2 LYS 15 1HZ LYS 15 4.065 -15.062 -15.697 121 HZ3 LYS 15 2HZ LYS 15 2.696 -14.355 -16.394 122 H TYR 16 H TYR 16 6.935 -11.007 -9.700 123 HA TYR 16 HA TYR 16 6.836 -8.557 -11.276 124 HB2 TYR 16 2HB TYR 16 6.936 -7.101 -9.334 125 HB3 TYR 16 3HB TYR 16 5.483 -8.091 -9.254 126 HD1 TYR 16 HD1 TYR 16 8.665 -7.296 -7.688 127 HD2 TYR 16 HD2 TYR 16 5.339 -9.949 -7.632 128 HE1 TYR 16 HE1 TYR 16 9.310 -8.048 -5.437 129 HE2 TYR 16 HE2 TYR 16 5.974 -10.707 -5.380 130 HH TYR 16 HH TYR 16 8.928 -9.543 -3.814 131 H LYS 17 H LYS 17 8.791 -7.182 -10.858 132 HA LYS 17 HA LYS 17 11.125 -8.906 -10.741 133 HB2 LYS 17 2HB LYS 17 10.619 -6.974 -12.441 134 HB3 LYS 17 3HB LYS 17 11.266 -5.945 -11.171 135 HG2 LYS 17 2HG LYS 17 13.241 -7.681 -11.227 136 HG3 LYS 17 3HG LYS 17 12.638 -7.967 -12.861 137 HD2 LYS 17 2HD LYS 17 12.877 -5.606 -13.387 138 HD3 LYS 17 3HD LYS 17 13.406 -5.273 -11.736 139 HE2 LYS 17 2HE LYS 17 14.830 -7.039 -13.725 140 HE3 LYS 17 3HE LYS 17 15.296 -5.395 -13.289 141 HZ1 LYS 17 3HZ LYS 17 16.520 -6.299 -11.694 142 HZ2 LYS 17 1HZ LYS 17 15.863 -7.837 -11.949 143 HZ3 LYS 17 2HZ LYS 17 15.092 -6.750 -10.908 144 H ASN 18 H ASN 18 12.384 -9.125 -9.015 145 HA ASN 18 HA ASN 18 12.120 -7.158 -6.839 146 HB2 ASN 18 2HB ASN 18 13.176 -9.199 -5.523 147 HB3 ASN 18 3HB ASN 18 11.444 -9.113 -5.830 148 HD21 ASN 18 2HD2 ASN 18 13.618 -12.151 -7.238 149 HD22 ASN 18 1HD2 ASN 18 14.231 -10.944 -6.164 150 H SER 19 H SER 19 14.217 -7.458 -5.326 151 HA SER 19 HA SER 19 16.333 -6.266 -6.749 152 HB2 SER 19 2HB SER 19 15.666 -6.495 -4.101 153 HB3 SER 19 3HB SER 19 17.074 -7.551 -4.207 154 HG SER 19 HG SER 19 17.571 -5.318 -3.759 155 H ALA 20 H ALA 20 15.748 -9.577 -5.709 156 HA ALA 20 HA ALA 20 18.271 -10.666 -6.180 157 HB1 ALA 20 1HB ALA 20 15.956 -12.354 -6.883 158 HB2 ALA 20 2HB ALA 20 17.301 -12.667 -5.785 159 HB3 ALA 20 3HB ALA 20 15.951 -11.660 -5.262 160 H GLY 21 H GLY 21 15.690 -9.838 -8.400 161 HA2 GLY 21 2HA GLY 21 15.998 -9.390 -10.687 162 HA3 GLY 21 3HA GLY 21 17.526 -10.255 -10.629 163 H LYS 22 H LYS 22 15.930 -12.434 -9.127 164 HA LYS 22 HA LYS 22 15.314 -13.950 -11.509 165 HB2 LYS 22 2HB LYS 22 16.485 -14.793 -9.356 166 HB3 LYS 22 3HB LYS 22 14.859 -14.903 -8.695 167 HG2 LYS 22 2HG LYS 22 14.579 -16.192 -11.081 168 HG3 LYS 22 3HG LYS 22 16.228 -16.621 -10.619 169 HD2 LYS 22 2HD LYS 22 14.649 -16.848 -8.296 170 HD3 LYS 22 3HD LYS 22 13.746 -17.623 -9.600 171 HE2 LYS 22 2HE LYS 22 15.959 -18.792 -10.166 172 HE3 LYS 22 3HE LYS 22 16.491 -18.266 -8.570 173 HZ1 LYS 22 3HZ LYS 22 14.072 -19.370 -8.074 174 HZ2 LYS 22 1HZ LYS 22 15.560 -20.150 -7.868 175 HZ3 LYS 22 2HZ LYS 22 14.677 -20.375 -9.293 176 H ASP 23 H ASP 23 13.400 -13.780 -12.458 177 HA ASP 23 HA ASP 23 11.134 -12.565 -11.453 178 HB2 ASP 23 2HB ASP 23 11.064 -14.842 -13.435 179 HB3 ASP 23 3HB ASP 23 9.942 -13.490 -13.305 180 H THR 24 H THR 24 9.552 -13.123 -10.096 181 HA THR 24 HA THR 24 9.408 -15.937 -9.225 182 HB THR 24 HB THR 24 10.288 -14.571 -7.421 183 HG1 THR 24 HG1 THR 24 9.079 -15.887 -6.290 184 HG21 THR 24 3HG2 THR 24 7.928 -12.990 -6.868 185 HG22 THR 24 1HG2 THR 24 8.616 -12.589 -8.442 186 HG23 THR 24 2HG2 THR 24 9.614 -12.486 -6.991 187 H PHE 25 H PHE 25 7.529 -16.919 -9.568 188 HA PHE 25 HA PHE 25 5.123 -15.256 -9.926 189 HB2 PHE 25 2HB PHE 25 4.329 -16.783 -11.610 190 HB3 PHE 25 3HB PHE 25 5.963 -16.291 -12.043 191 HD1 PHE 25 HD1 PHE 25 3.793 -19.041 -11.203 192 HD2 PHE 25 HD2 PHE 25 7.858 -17.860 -11.655 193 HE1 PHE 25 HE1 PHE 25 4.461 -21.405 -11.344 194 HE2 PHE 25 HE2 PHE 25 8.531 -20.222 -11.797 195 HZ PHE 25 HZ PHE 25 6.832 -21.998 -11.643 196 H ILE 26 H ILE 26 3.157 -16.080 -9.152 197 HA ILE 26 HA ILE 26 3.215 -18.558 -7.614 198 HB ILE 26 HB ILE 26 3.868 -16.901 -5.965 199 HG12 ILE 26 2HG1 ILE 26 2.067 -17.248 -4.331 200 HG13 ILE 26 3HG1 ILE 26 0.968 -17.702 -5.629 201 HG21 ILE 26 1HG2 ILE 26 3.113 -14.813 -5.969 202 HG22 ILE 26 2HG2 ILE 26 2.169 -15.207 -7.405 203 HG23 ILE 26 3HG2 ILE 26 1.446 -15.365 -5.805 204 HD11 ILE 26 3HD1 ILE 26 3.456 -19.252 -5.496 205 HD12 ILE 26 1HD1 ILE 26 2.358 -19.453 -4.131 206 HD13 ILE 26 2HD1 ILE 26 1.796 -19.779 -5.771 207 H LYS 27 H LYS 27 1.415 -19.673 -7.958 208 HA LYS 27 HA LYS 27 -0.816 -18.404 -9.314 209 HB2 LYS 27 2HB LYS 27 -1.605 -20.600 -9.772 210 HB3 LYS 27 3HB LYS 27 0.140 -20.643 -9.989 211 HG2 LYS 27 2HG LYS 27 -0.040 -22.515 -8.758 212 HG3 LYS 27 3HG LYS 27 -0.011 -21.374 -7.412 213 HD2 LYS 27 2HD LYS 27 -1.998 -22.142 -6.775 214 HD3 LYS 27 3HD LYS 27 -2.685 -21.518 -8.276 215 HE2 LYS 27 2HE LYS 27 -1.347 -24.206 -8.081 216 HE3 LYS 27 3HE LYS 27 -3.071 -23.974 -7.794 217 HZ1 LYS 27 3HZ LYS 27 -1.670 -24.145 -10.261 218 HZ2 LYS 27 1HZ LYS 27 -2.550 -22.702 -10.174 219 HZ3 LYS 27 2HZ LYS 27 -3.336 -24.186 -9.972 220 H CYS 28 H CYS 28 -2.916 -18.292 -8.549 221 HA CYS 28 HA CYS 28 -3.241 -18.811 -5.665 222 HB2 CYS 28 2HB CYS 28 -4.723 -16.693 -7.222 223 HB3 CYS 28 3HB CYS 28 -4.618 -16.877 -5.474 224 HA PRO 29 HA PRO 29 -6.555 -21.511 -6.725 225 HB2 PRO 29 2HB PRO 29 -7.886 -21.488 -4.359 226 HB3 PRO 29 3HB PRO 29 -6.356 -22.341 -4.592 227 HG2 PRO 29 2HG PRO 29 -6.862 -19.660 -3.360 228 HG3 PRO 29 3HG PRO 29 -5.782 -20.957 -2.814 229 HD2 PRO 29 2HD PRO 29 -4.886 -18.784 -4.159 230 HD3 PRO 29 3HD PRO 29 -4.129 -20.382 -4.313 231 H LYS 30 H LYS 30 -9.118 -21.449 -5.796 232 HA LYS 30 HA LYS 30 -10.150 -18.961 -6.978 233 HB2 LYS 30 2HB LYS 30 -11.239 -21.765 -6.876 234 HB3 LYS 30 3HB LYS 30 -12.276 -20.392 -7.239 235 HG2 LYS 30 2HG LYS 30 -10.096 -20.072 -8.925 236 HG3 LYS 30 3HG LYS 30 -10.420 -21.807 -8.939 237 HD2 LYS 30 2HD LYS 30 -11.869 -21.176 -10.575 238 HD3 LYS 30 3HD LYS 30 -12.924 -20.929 -9.181 239 HE2 LYS 30 2HE LYS 30 -11.226 -18.633 -9.836 240 HE3 LYS 30 3HE LYS 30 -12.381 -19.061 -11.097 241 HZ1 LYS 30 3HZ LYS 30 -12.845 -17.759 -8.626 242 HZ2 LYS 30 1HZ LYS 30 -13.770 -19.173 -8.713 243 HZ3 LYS 30 2HZ LYS 30 -13.908 -17.997 -9.920 244 H PHE 31 H PHE 31 -9.457 -19.897 -4.064 245 HA PHE 31 HA PHE 31 -12.010 -19.521 -2.745 246 HB2 PHE 31 2HB PHE 31 -9.809 -20.940 -2.052 247 HB3 PHE 31 3HB PHE 31 -9.528 -19.459 -1.141 248 HD1 PHE 31 HD1 PHE 31 -12.458 -21.648 -1.902 249 HD2 PHE 31 HD2 PHE 31 -10.201 -19.559 1.040 250 HE1 PHE 31 HE1 PHE 31 -14.008 -22.433 -0.160 251 HE2 PHE 31 HE2 PHE 31 -11.747 -20.341 2.787 252 HZ PHE 31 HZ PHE 31 -13.653 -21.781 2.188 253 H ASP 32 H ASP 32 -11.957 -17.964 -0.785 254 HA ASP 32 HA ASP 32 -11.846 -15.344 -1.743 255 HB2 ASP 32 2HB ASP 32 -12.149 -16.591 0.949 256 HB3 ASP 32 3HB ASP 32 -11.793 -14.867 0.874 257 H ASN 33 H ASN 33 -10.486 -13.570 -1.102 258 HA ASN 33 HA ASN 33 -8.448 -12.559 -0.999 259 HB2 ASN 33 2HB ASN 33 -8.772 -13.350 1.383 260 HB3 ASN 33 3HB ASN 33 -7.746 -14.725 0.986 261 HD21 ASN 33 2HD2 ASN 33 -5.467 -12.386 2.496 262 HD22 ASN 33 1HD2 ASN 33 -6.727 -13.487 2.928 263 H LYS 34 H LYS 34 -8.862 -14.948 -2.807 264 HA LYS 34 HA LYS 34 -6.047 -15.249 -3.531 265 HB2 LYS 34 2HB LYS 34 -7.948 -17.499 -2.934 266 HB3 LYS 34 3HB LYS 34 -6.614 -17.723 -4.059 267 HG2 LYS 34 2HG LYS 34 -5.096 -17.836 -2.423 268 HG3 LYS 34 3HG LYS 34 -5.831 -16.511 -1.517 269 HD2 LYS 34 2HD LYS 34 -7.695 -18.469 -1.214 270 HD3 LYS 34 3HD LYS 34 -6.205 -19.413 -1.263 271 HE2 LYS 34 2HE LYS 34 -5.364 -17.594 0.425 272 HE3 LYS 34 3HE LYS 34 -7.087 -17.348 0.702 273 HZ1 LYS 34 3HZ LYS 34 -6.752 -18.973 2.206 274 HZ2 LYS 34 1HZ LYS 34 -5.398 -19.605 1.412 275 HZ3 LYS 34 2HZ LYS 34 -6.952 -19.989 0.868 276 H LYS 35 H LYS 35 -8.219 -13.697 -4.631 277 HA LYS 35 HA LYS 35 -8.980 -15.072 -7.078 278 HB2 LYS 35 2HB LYS 35 -10.501 -13.350 -7.443 279 HB3 LYS 35 3HB LYS 35 -10.459 -13.458 -5.688 280 HG2 LYS 35 2HG LYS 35 -8.874 -11.574 -5.635 281 HG3 LYS 35 3HG LYS 35 -9.005 -11.444 -7.391 282 HD2 LYS 35 2HD LYS 35 -11.626 -11.491 -6.240 283 HD3 LYS 35 3HD LYS 35 -10.653 -10.260 -5.433 284 HE2 LYS 35 2HE LYS 35 -9.993 -9.474 -7.755 285 HE3 LYS 35 3HE LYS 35 -11.277 -10.517 -8.364 286 HZ1 LYS 35 3HZ LYS 35 -12.422 -9.048 -6.341 287 HZ2 LYS 35 1HZ LYS 35 -12.651 -8.832 -8.004 288 HZ3 LYS 35 2HZ LYS 35 -11.469 -7.938 -7.189 289 H CYS 36 H CYS 36 -8.442 -14.344 -9.167 290 HA CYS 36 HA CYS 36 -6.075 -12.591 -9.289 291 HB2 CYS 36 2HB CYS 36 -6.010 -15.249 -9.820 292 HB3 CYS 36 3HB CYS 36 -6.393 -14.617 -11.418 293 H THR 37 H THR 37 -6.022 -11.056 -10.864 294 HA THR 37 HA THR 37 -8.248 -10.992 -12.786 295 HB THR 37 HB THR 37 -7.323 -8.366 -11.800 296 HG1 THR 37 HG1 THR 37 -9.027 -9.987 -10.190 297 HG21 THR 37 3HG2 THR 37 -9.268 -7.732 -12.694 298 HG22 THR 37 1HG2 THR 37 -10.164 -8.903 -11.727 299 HG23 THR 37 2HG2 THR 37 -9.461 -9.386 -13.271 300 H LYS 38 H LYS 38 -7.696 -8.791 -14.202 301 HA LYS 38 HA LYS 38 -5.779 -9.507 -16.014 302 HB2 LYS 38 2HB LYS 38 -7.482 -7.321 -15.647 303 HB3 LYS 38 3HB LYS 38 -5.875 -6.620 -15.777 304 HG2 LYS 38 2HG LYS 38 -5.537 -7.780 -17.900 305 HG3 LYS 38 3HG LYS 38 -7.150 -8.485 -17.769 306 HD2 LYS 38 2HD LYS 38 -6.566 -5.526 -17.868 307 HD3 LYS 38 3HD LYS 38 -7.065 -6.501 -19.252 308 HE2 LYS 38 2HE LYS 38 -9.152 -5.948 -18.672 309 HE3 LYS 38 3HE LYS 38 -8.960 -7.121 -17.370 310 HZ1 LYS 38 3HZ LYS 38 -7.822 -4.714 -16.531 311 HZ2 LYS 38 1HZ LYS 38 -9.201 -5.483 -15.924 312 HZ3 LYS 38 2HZ LYS 38 -9.345 -4.351 -17.173 313 H ASP 39 H ASP 39 -3.651 -8.784 -16.484 314 HA ASP 39 HA ASP 39 -1.905 -8.784 -14.275 315 HB2 ASP 39 2HB ASP 39 -0.240 -8.950 -15.815 316 HB3 ASP 39 3HB ASP 39 -1.584 -9.277 -16.905 317 H ASN 40 H ASN 40 -2.837 -6.162 -16.495 318 HA ASN 40 HA ASN 40 -1.457 -4.200 -14.871 319 HB2 ASN 40 2HB ASN 40 -2.680 -4.282 -17.543 320 HB3 ASN 40 3HB ASN 40 -2.910 -2.757 -16.692 321 HD21 ASN 40 2HD2 ASN 40 1.007 -3.819 -16.990 322 HD22 ASN 40 1HD2 ASN 40 -0.161 -4.887 -16.296 323 H ASN 41 H ASN 41 -4.404 -5.721 -14.726 324 HA ASN 41 HA ASN 41 -6.283 -3.777 -14.190 325 HB2 ASN 41 2HB ASN 41 -6.981 -6.056 -14.288 326 HB3 ASN 41 3HB ASN 41 -5.900 -6.514 -12.975 327 HD21 ASN 41 2HD2 ASN 41 -8.244 -5.964 -10.518 328 HD22 ASN 41 1HD2 ASN 41 -6.750 -6.664 -11.030 329 H LYS 42 H LYS 42 -5.167 -5.618 -11.413 330 HA LYS 42 HA LYS 42 -4.103 -3.286 -10.078 331 HB2 LYS 42 2HB LYS 42 -6.728 -4.526 -9.285 332 HB3 LYS 42 3HB LYS 42 -5.726 -3.675 -8.116 333 HG2 LYS 42 2HG LYS 42 -5.782 -1.736 -9.810 334 HG3 LYS 42 3HG LYS 42 -7.154 -2.597 -10.513 335 HD2 LYS 42 2HD LYS 42 -7.006 -1.924 -7.585 336 HD3 LYS 42 3HD LYS 42 -7.677 -0.807 -8.776 337 HE2 LYS 42 2HE LYS 42 -8.808 -3.388 -9.201 338 HE3 LYS 42 3HE LYS 42 -8.947 -2.989 -7.490 339 HZ1 LYS 42 3HZ LYS 42 -9.766 -0.720 -8.451 340 HZ2 LYS 42 1HZ LYS 42 -10.829 -2.029 -8.315 341 HZ3 LYS 42 2HZ LYS 42 -10.139 -1.653 -9.812 342 H CYS 43 H CYS 43 -2.969 -5.752 -10.827 343 HA CYS 43 HA CYS 43 -2.886 -7.505 -8.552 344 HB2 CYS 43 2HB CYS 43 -2.530 -8.599 -10.599 345 HB3 CYS 43 3HB CYS 43 -1.401 -7.371 -11.162 346 H THR 44 H THR 44 -1.558 -7.430 -6.855 347 HA THR 44 HA THR 44 0.968 -5.991 -7.016 348 HB THR 44 HB THR 44 0.045 -5.089 -4.580 349 HG1 THR 44 HG1 THR 44 -2.063 -5.129 -6.475 350 HG21 THR 44 3HG2 THR 44 1.149 -4.022 -6.831 351 HG22 THR 44 1HG2 THR 44 0.635 -3.087 -5.428 352 HG23 THR 44 2HG2 THR 44 -0.436 -3.250 -6.819 353 H VAL 45 H VAL 45 2.305 -6.316 -5.063 354 HA VAL 45 HA VAL 45 1.788 -8.972 -3.915 355 HB VAL 45 HB VAL 45 3.881 -8.800 -5.152 356 HG11 VAL 45 1HG1 VAL 45 5.291 -7.082 -3.281 357 HG12 VAL 45 2HG1 VAL 45 5.269 -7.056 -5.046 358 HG13 VAL 45 3HG1 VAL 45 4.001 -6.235 -4.135 359 HG21 VAL 45 3HG2 VAL 45 3.631 -9.582 -2.414 360 HG22 VAL 45 1HG2 VAL 45 4.625 -10.292 -3.685 361 HG23 VAL 45 2HG2 VAL 45 5.263 -8.976 -2.699 362 H ASP 46 H ASP 46 1.194 -9.103 -1.862 363 HA ASP 46 HA ASP 46 2.182 -7.124 0.056 364 HB2 ASP 46 2HB ASP 46 -0.730 -7.923 -0.139 365 HB3 ASP 46 3HB ASP 46 -0.026 -6.811 1.032 366 H THR 47 H THR 47 2.543 -7.910 2.089 367 HA THR 47 HA THR 47 1.791 -10.708 2.609 368 HB THR 47 HB THR 47 4.260 -10.192 3.919 369 HG1 THR 47 HG1 THR 47 5.312 -9.042 2.499 370 HG21 THR 47 3HG2 THR 47 5.021 -12.041 2.351 371 HG22 THR 47 1HG2 THR 47 3.399 -11.992 1.663 372 HG23 THR 47 2HG2 THR 47 3.623 -12.403 3.363 373 H TYR 48 H TYR 48 1.550 -7.586 3.587 374 HA TYR 48 HA TYR 48 1.857 -7.936 6.424 375 HB2 TYR 48 2HB TYR 48 0.850 -5.717 4.669 376 HB3 TYR 48 3HB TYR 48 0.618 -5.652 6.412 377 HD1 TYR 48 HD1 TYR 48 2.436 -5.161 7.882 378 HD2 TYR 48 HD2 TYR 48 3.140 -5.708 3.722 379 HE1 TYR 48 HE1 TYR 48 4.706 -4.255 8.153 380 HE2 TYR 48 HE2 TYR 48 5.413 -4.805 3.982 381 HH TYR 48 HH TYR 48 6.883 -3.889 5.370 382 H ASN 49 H ASN 49 -0.855 -7.731 4.157 383 HA ASN 49 HA ASN 49 -2.764 -8.227 6.299 384 HB2 ASN 49 2HB ASN 49 -2.897 -7.264 3.512 385 HB3 ASN 49 3HB ASN 49 -4.248 -8.276 4.016 386 HD21 ASN 49 2HD2 ASN 49 -5.461 -5.036 4.867 387 HD22 ASN 49 1HD2 ASN 49 -5.298 -6.131 3.540 388 H ASN 50 H ASN 50 -0.714 -10.145 4.787 389 HA ASN 50 HA ASN 50 -0.583 -12.397 4.475 390 HB2 ASN 50 2HB ASN 50 -1.610 -13.226 6.304 391 HB3 ASN 50 3HB ASN 50 -2.935 -12.071 6.193 392 HD21 ASN 50 2HD2 ASN 50 -5.070 -14.189 4.393 393 HD22 ASN 50 1HD2 ASN 50 -4.698 -12.552 4.802 394 H ALA 51 H ALA 51 -2.431 -10.386 2.792 395 HA ALA 51 HA ALA 51 -4.026 -12.194 1.240 396 HB1 ALA 51 1HB ALA 51 -5.024 -10.273 0.754 397 HB2 ALA 51 2HB ALA 51 -3.695 -9.356 1.464 398 HB3 ALA 51 3HB ALA 51 -3.627 -9.837 -0.231 399 H VAL 52 H VAL 52 -3.647 -12.988 -0.809 400 HA VAL 52 HA VAL 52 -0.868 -13.314 -1.524 401 HB VAL 52 HB VAL 52 -2.583 -15.159 -1.665 402 HG11 VAL 52 1HG1 VAL 52 -4.359 -13.762 -2.691 403 HG12 VAL 52 2HG1 VAL 52 -3.420 -13.731 -4.185 404 HG13 VAL 52 3HG1 VAL 52 -4.048 -15.260 -3.569 405 HG21 VAL 52 3HG2 VAL 52 -1.560 -16.182 -3.549 406 HG22 VAL 52 1HG2 VAL 52 -1.193 -14.619 -4.281 407 HG23 VAL 52 2HG2 VAL 52 -0.343 -15.131 -2.823 408 H ASP 53 H ASP 53 -0.040 -12.911 -3.670 409 HA ASP 53 HA ASP 53 -0.947 -10.353 -4.692 410 HB2 ASP 53 2HB ASP 53 1.262 -11.763 -6.063 411 HB3 ASP 53 3HB ASP 53 1.154 -10.090 -5.522 412 H CYS 54 H CYS 54 -2.809 -10.661 -5.834 413 HA CYS 54 HA CYS 54 -2.547 -11.780 -8.463 414 HB2 CYS 54 2HB CYS 54 -4.010 -13.243 -6.326 415 HB3 CYS 54 3HB CYS 54 -4.764 -13.177 -7.916 416 H ASP 55 H ASP 55 -3.603 -10.446 -9.763 417 HA ASP 55 HA ASP 55 -6.252 -9.701 -9.604 418 HB2 ASP 55 2HB ASP 55 -4.581 -8.165 -7.808 419 HB3 ASP 55 3HB ASP 55 -5.322 -7.122 -9.018 Start of MODEL 19 1 H1 ALA 1 H ALA 1 -0.658 -0.642 -2.101 2 HA ALA 1 HA ALA 1 1.442 1.073 -2.100 3 HB1 ALA 1 1HB ALA 1 1.136 1.252 0.380 4 HB2 ALA 1 2HB ALA 1 -0.348 1.396 -0.563 5 HB3 ALA 1 3HB ALA 1 0.020 -0.110 0.276 6 H LYS 2 H LYS 2 2.225 -1.803 -2.599 7 HA LYS 2 HA LYS 2 4.497 -1.886 -0.723 8 HB2 LYS 2 2HB LYS 2 2.601 -3.971 -1.534 9 HB3 LYS 2 3HB LYS 2 4.285 -4.458 -1.673 10 HG2 LYS 2 2HG LYS 2 4.228 -4.942 0.487 11 HG3 LYS 2 3HG LYS 2 4.118 -3.209 0.805 12 HD2 LYS 2 2HD LYS 2 1.756 -5.028 0.336 13 HD3 LYS 2 3HD LYS 2 2.340 -4.525 1.924 14 HE2 LYS 2 2HE LYS 2 0.772 -2.914 1.637 15 HE3 LYS 2 3HE LYS 2 2.095 -2.122 0.783 16 HZ1 LYS 2 3HZ LYS 2 -0.168 -2.255 -0.361 17 HZ2 LYS 2 1HZ LYS 2 0.202 -3.882 -0.643 18 HZ3 LYS 2 2HZ LYS 2 1.197 -2.667 -1.272 19 H TYR 3 H TYR 3 3.744 -3.656 -3.710 20 HA TYR 3 HA TYR 3 5.968 -2.331 -5.064 21 HB2 TYR 3 2HB TYR 3 6.253 -4.865 -3.903 22 HB3 TYR 3 3HB TYR 3 6.035 -5.171 -5.623 23 HD1 TYR 3 HD1 TYR 3 8.301 -4.057 -3.065 24 HD2 TYR 3 HD2 TYR 3 7.584 -4.024 -7.259 25 HE1 TYR 3 HE1 TYR 3 10.661 -3.485 -3.458 26 HE2 TYR 3 HE2 TYR 3 9.942 -3.453 -7.663 27 HH TYR 3 HH TYR 3 11.934 -3.103 -6.753 28 H THR 4 H THR 4 6.014 -2.783 -7.391 29 HA THR 4 HA THR 4 3.310 -2.902 -8.442 30 HB THR 4 HB THR 4 5.265 -2.686 -10.523 31 HG1 THR 4 HG1 THR 4 6.777 -1.865 -9.177 32 HG21 THR 4 3HG2 THR 4 2.825 -1.654 -9.959 33 HG22 THR 4 1HG2 THR 4 3.900 -1.018 -11.203 34 HG23 THR 4 2HG2 THR 4 3.854 -0.266 -9.608 35 H GLY 5 H GLY 5 2.421 -4.658 -9.308 36 HA2 GLY 5 2HA GLY 5 4.143 -6.667 -10.571 37 HA3 GLY 5 3HA GLY 5 3.097 -7.186 -9.258 38 H LYS 6 H LYS 6 2.778 -8.435 -11.596 39 HA LYS 6 HA LYS 6 0.125 -7.545 -12.411 40 HB2 LYS 6 2HB LYS 6 0.548 -7.383 -14.684 41 HB3 LYS 6 3HB LYS 6 1.997 -6.665 -13.994 42 HG2 LYS 6 2HG LYS 6 1.776 -9.525 -14.908 43 HG3 LYS 6 3HG LYS 6 2.452 -8.207 -15.868 44 HD2 LYS 6 2HD LYS 6 3.481 -9.152 -13.192 45 HD3 LYS 6 3HD LYS 6 4.208 -9.508 -14.761 46 HE2 LYS 6 2HE LYS 6 4.024 -6.791 -14.840 47 HE3 LYS 6 3HE LYS 6 4.328 -7.074 -13.127 48 HZ1 LYS 6 3HZ LYS 6 6.010 -7.895 -15.424 49 HZ2 LYS 6 1HZ LYS 6 6.235 -8.502 -13.861 50 HZ3 LYS 6 2HZ LYS 6 6.418 -6.847 -14.160 51 H CYS 7 H CYS 7 -1.248 -9.204 -12.664 52 HA CYS 7 HA CYS 7 -0.104 -11.915 -12.841 53 HB2 CYS 7 2HB CYS 7 -1.157 -12.416 -10.936 54 HB3 CYS 7 3HB CYS 7 -1.820 -10.787 -10.853 55 H THR 8 H THR 8 -0.956 -13.303 -14.309 56 HA THR 8 HA THR 8 -2.772 -12.166 -16.278 57 HB THR 8 HB THR 8 -0.811 -13.273 -17.157 58 HG1 THR 8 HG1 THR 8 -2.610 -13.538 -18.457 59 HG21 THR 8 3HG2 THR 8 -1.400 -16.012 -16.596 60 HG22 THR 8 1HG2 THR 8 -1.288 -15.127 -15.075 61 HG23 THR 8 2HG2 THR 8 0.057 -15.095 -16.215 62 H LYS 9 H LYS 9 -4.885 -12.508 -16.205 63 HA LYS 9 HA LYS 9 -6.144 -14.187 -14.339 64 HB2 LYS 9 2HB LYS 9 -6.993 -12.137 -15.837 65 HB3 LYS 9 3HB LYS 9 -7.605 -13.458 -16.824 66 HG2 LYS 9 2HG LYS 9 -8.166 -13.634 -13.935 67 HG3 LYS 9 3HG LYS 9 -8.981 -12.338 -14.815 68 HD2 LYS 9 2HD LYS 9 -9.050 -14.876 -16.237 69 HD3 LYS 9 3HD LYS 9 -9.808 -14.969 -14.645 70 HE2 LYS 9 2HE LYS 9 -11.616 -14.199 -15.746 71 HE3 LYS 9 3HE LYS 9 -10.829 -12.635 -15.539 72 HZ1 LYS 9 3HZ LYS 9 -10.384 -12.482 -17.716 73 HZ2 LYS 9 1HZ LYS 9 -11.613 -13.630 -17.896 74 HZ3 LYS 9 2HZ LYS 9 -9.994 -14.120 -17.877 75 H SER 10 H SER 10 -4.690 -14.897 -17.321 76 HA SER 10 HA SER 10 -6.315 -17.116 -18.082 77 HB2 SER 10 2HB SER 10 -3.482 -16.382 -18.859 78 HB3 SER 10 3HB SER 10 -4.436 -17.655 -19.620 79 HG SER 10 HG SER 10 -5.844 -16.129 -20.392 80 H LYS 11 H LYS 11 -3.256 -16.773 -16.330 81 HA LYS 11 HA LYS 11 -3.298 -19.640 -15.716 82 HB2 LYS 11 2HB LYS 11 -1.226 -18.009 -16.470 83 HB3 LYS 11 3HB LYS 11 -1.036 -18.052 -14.722 84 HG2 LYS 11 2HG LYS 11 -0.517 -20.271 -14.692 85 HG3 LYS 11 3HG LYS 11 -1.452 -20.625 -16.146 86 HD2 LYS 11 2HD LYS 11 0.396 -19.057 -17.242 87 HD3 LYS 11 3HD LYS 11 1.335 -19.635 -15.863 88 HE2 LYS 11 2HE LYS 11 -0.179 -21.632 -17.461 89 HE3 LYS 11 3HE LYS 11 1.275 -20.936 -18.174 90 HZ1 LYS 11 3HZ LYS 11 1.015 -22.831 -16.026 91 HZ2 LYS 11 1HZ LYS 11 2.075 -21.561 -15.672 92 HZ3 LYS 11 2HZ LYS 11 2.332 -22.521 -17.041 93 H ASN 12 H ASN 12 -4.104 -16.643 -14.379 94 HA ASN 12 HA ASN 12 -4.826 -15.993 -12.323 95 HB2 ASN 12 2HB ASN 12 -5.624 -18.661 -12.595 96 HB3 ASN 12 3HB ASN 12 -4.898 -18.569 -10.993 97 HD21 ASN 12 2HD2 ASN 12 -7.867 -17.396 -9.703 98 HD22 ASN 12 1HD2 ASN 12 -6.534 -18.491 -9.620 99 H GLU 13 H GLU 13 -2.104 -15.876 -12.735 100 HA GLU 13 HA GLU 13 -1.128 -16.234 -10.002 101 HB2 GLU 13 2HB GLU 13 0.955 -17.217 -10.703 102 HB3 GLU 13 3HB GLU 13 -0.365 -18.195 -11.330 103 HG2 GLU 13 2HG GLU 13 -0.086 -16.798 -13.476 104 HG3 GLU 13 3HG GLU 13 1.483 -16.363 -12.800 105 H CYS 14 H CYS 14 0.702 -14.893 -9.481 106 HA CYS 14 HA CYS 14 1.036 -12.615 -11.321 107 HB2 CYS 14 2HB CYS 14 -0.332 -12.296 -9.113 108 HB3 CYS 14 3HB CYS 14 1.253 -12.290 -8.348 109 H LYS 15 H LYS 15 3.071 -11.545 -11.271 110 HA LYS 15 HA LYS 15 5.241 -12.744 -9.770 111 HB2 LYS 15 2HB LYS 15 6.584 -13.320 -11.696 112 HB3 LYS 15 3HB LYS 15 5.048 -14.172 -11.789 113 HG2 LYS 15 2HG LYS 15 5.446 -11.567 -13.208 114 HG3 LYS 15 3HG LYS 15 5.994 -13.088 -13.917 115 HD2 LYS 15 2HD LYS 15 3.361 -13.507 -12.982 116 HD3 LYS 15 3HD LYS 15 3.362 -11.974 -13.859 117 HE2 LYS 15 2HE LYS 15 4.724 -14.349 -15.048 118 HE3 LYS 15 3HE LYS 15 2.967 -14.236 -15.121 119 HZ1 LYS 15 3HZ LYS 15 4.057 -11.767 -15.882 120 HZ2 LYS 15 1HZ LYS 15 3.155 -12.850 -16.817 121 HZ3 LYS 15 2HZ LYS 15 4.840 -12.980 -16.764 122 H TYR 16 H TYR 16 7.014 -11.402 -9.551 123 HA TYR 16 HA TYR 16 7.104 -8.917 -11.069 124 HB2 TYR 16 2HB TYR 16 7.099 -7.486 -9.142 125 HB3 TYR 16 3HB TYR 16 5.662 -8.498 -9.060 126 HD1 TYR 16 HD1 TYR 16 8.662 -7.466 -7.385 127 HD2 TYR 16 HD2 TYR 16 5.699 -10.516 -7.523 128 HE1 TYR 16 HE1 TYR 16 9.308 -8.187 -5.124 129 HE2 TYR 16 HE2 TYR 16 6.336 -11.245 -5.262 130 HH TYR 16 HH TYR 16 8.494 -11.086 -3.817 131 H LYS 17 H LYS 17 9.104 -7.687 -10.648 132 HA LYS 17 HA LYS 17 11.327 -9.532 -10.210 133 HB2 LYS 17 2HB LYS 17 10.846 -7.395 -12.010 134 HB3 LYS 17 3HB LYS 17 12.188 -6.910 -10.982 135 HG2 LYS 17 2HG LYS 17 13.591 -8.279 -12.021 136 HG3 LYS 17 3HG LYS 17 12.476 -9.641 -11.886 137 HD2 LYS 17 2HD LYS 17 11.437 -9.151 -13.910 138 HD3 LYS 17 3HD LYS 17 12.007 -7.480 -13.908 139 HE2 LYS 17 2HE LYS 17 14.328 -9.004 -13.885 140 HE3 LYS 17 3HE LYS 17 13.252 -9.866 -14.984 141 HZ1 LYS 17 3HZ LYS 17 14.777 -7.869 -15.770 142 HZ2 LYS 17 1HZ LYS 17 13.421 -6.972 -15.299 143 HZ3 LYS 17 2HZ LYS 17 13.270 -8.181 -16.472 144 H ASN 18 H ASN 18 12.796 -9.328 -8.600 145 HA ASN 18 HA ASN 18 12.452 -7.068 -6.740 146 HB2 ASN 18 2HB ASN 18 12.649 -8.472 -4.880 147 HB3 ASN 18 3HB ASN 18 11.646 -9.412 -5.981 148 HD21 ASN 18 2HD2 ASN 18 14.242 -11.744 -6.755 149 HD22 ASN 18 1HD2 ASN 18 12.956 -10.855 -7.489 150 H SER 19 H SER 19 14.541 -7.492 -5.058 151 HA SER 19 HA SER 19 16.699 -6.346 -6.351 152 HB2 SER 19 2HB SER 19 16.094 -7.108 -3.730 153 HB3 SER 19 3HB SER 19 17.579 -7.977 -4.116 154 HG SER 19 HG SER 19 17.199 -5.193 -4.515 155 H ALA 20 H ALA 20 15.992 -9.751 -5.789 156 HA ALA 20 HA ALA 20 18.469 -10.803 -6.611 157 HB1 ALA 20 1HB ALA 20 15.976 -11.819 -5.765 158 HB2 ALA 20 2HB ALA 20 16.363 -12.600 -7.299 159 HB3 ALA 20 3HB ALA 20 17.500 -12.686 -5.954 160 H GLY 21 H GLY 21 15.625 -9.788 -8.402 161 HA2 GLY 21 2HA GLY 21 15.580 -9.145 -10.649 162 HA3 GLY 21 3HA GLY 21 17.170 -9.861 -10.862 163 H LYS 22 H LYS 22 15.698 -12.235 -9.337 164 HA LYS 22 HA LYS 22 15.233 -13.744 -11.724 165 HB2 LYS 22 2HB LYS 22 14.794 -14.410 -8.810 166 HB3 LYS 22 3HB LYS 22 14.583 -15.558 -10.125 167 HG2 LYS 22 2HG LYS 22 17.023 -14.953 -10.728 168 HG3 LYS 22 3HG LYS 22 17.097 -14.326 -9.080 169 HD2 LYS 22 2HD LYS 22 17.709 -16.448 -8.599 170 HD3 LYS 22 3HD LYS 22 15.966 -16.726 -8.618 171 HE2 LYS 22 2HE LYS 22 17.136 -16.887 -11.269 172 HE3 LYS 22 3HE LYS 22 17.867 -18.036 -10.149 173 HZ1 LYS 22 3HZ LYS 22 14.998 -17.785 -10.852 174 HZ2 LYS 22 1HZ LYS 22 15.559 -18.733 -9.568 175 HZ3 LYS 22 2HZ LYS 22 16.022 -19.097 -11.153 176 H ASP 23 H ASP 23 13.265 -14.812 -12.302 177 HA ASP 23 HA ASP 23 10.923 -13.153 -11.774 178 HB2 ASP 23 2HB ASP 23 10.942 -15.470 -13.679 179 HB3 ASP 23 3HB ASP 23 10.013 -13.975 -13.756 180 H THR 24 H THR 24 9.562 -13.705 -10.220 181 HA THR 24 HA THR 24 9.238 -16.565 -9.578 182 HB THR 24 HB THR 24 10.281 -15.441 -7.711 183 HG1 THR 24 HG1 THR 24 8.917 -16.257 -6.252 184 HG21 THR 24 3HG2 THR 24 8.201 -13.684 -6.852 185 HG22 THR 24 1HG2 THR 24 8.656 -13.260 -8.501 186 HG23 THR 24 2HG2 THR 24 9.880 -13.303 -7.232 187 H PHE 25 H PHE 25 7.295 -17.379 -9.975 188 HA PHE 25 HA PHE 25 4.997 -15.537 -10.081 189 HB2 PHE 25 2HB PHE 25 4.013 -16.975 -11.789 190 HB3 PHE 25 3HB PHE 25 5.607 -16.430 -12.300 191 HD1 PHE 25 HD1 PHE 25 7.506 -17.987 -12.305 192 HD2 PHE 25 HD2 PHE 25 3.554 -19.276 -11.392 193 HE1 PHE 25 HE1 PHE 25 8.185 -20.322 -12.681 194 HE2 PHE 25 HE2 PHE 25 4.227 -21.613 -11.765 195 HZ PHE 25 HZ PHE 25 6.545 -22.139 -12.409 196 H ILE 26 H ILE 26 3.009 -16.268 -9.272 197 HA ILE 26 HA ILE 26 2.960 -18.834 -7.880 198 HB ILE 26 HB ILE 26 3.754 -17.315 -6.167 199 HG12 ILE 26 2HG1 ILE 26 0.859 -17.612 -5.480 200 HG13 ILE 26 3HG1 ILE 26 1.798 -19.061 -5.825 201 HG21 ILE 26 1HG2 ILE 26 3.127 -15.189 -6.018 202 HG22 ILE 26 2HG2 ILE 26 2.163 -15.434 -7.473 203 HG23 ILE 26 3HG2 ILE 26 1.427 -15.640 -5.884 204 HD11 ILE 26 3HD1 ILE 26 3.457 -18.099 -4.092 205 HD12 ILE 26 1HD1 ILE 26 2.086 -17.113 -3.585 206 HD13 ILE 26 2HD1 ILE 26 1.973 -18.873 -3.538 207 H LYS 27 H LYS 27 1.091 -19.827 -8.231 208 HA LYS 27 HA LYS 27 -1.101 -18.365 -9.447 209 HB2 LYS 27 2HB LYS 27 -2.030 -20.487 -9.985 210 HB3 LYS 27 3HB LYS 27 -0.299 -20.615 -10.264 211 HG2 LYS 27 2HG LYS 27 -0.413 -21.469 -7.722 212 HG3 LYS 27 3HG LYS 27 -2.008 -21.973 -8.287 213 HD2 LYS 27 2HD LYS 27 -0.789 -22.995 -10.283 214 HD3 LYS 27 3HD LYS 27 0.692 -22.760 -9.351 215 HE2 LYS 27 2HE LYS 27 0.096 -24.318 -7.762 216 HE3 LYS 27 3HE LYS 27 -1.629 -24.138 -8.081 217 HZ1 LYS 27 3HZ LYS 27 -0.524 -25.086 -10.422 218 HZ2 LYS 27 1HZ LYS 27 -1.478 -25.949 -9.324 219 HZ3 LYS 27 2HZ LYS 27 0.207 -25.989 -9.193 220 H CYS 28 H CYS 28 -3.158 -18.153 -8.606 221 HA CYS 28 HA CYS 28 -3.438 -18.815 -5.747 222 HB2 CYS 28 2HB CYS 28 -4.816 -16.520 -7.141 223 HB3 CYS 28 3HB CYS 28 -4.683 -16.811 -5.409 224 HA PRO 29 HA PRO 29 -6.985 -21.198 -6.785 225 HB2 PRO 29 2HB PRO 29 -8.327 -21.064 -4.429 226 HB3 PRO 29 3HB PRO 29 -6.867 -22.037 -4.649 227 HG2 PRO 29 2HG PRO 29 -7.167 -19.321 -3.426 228 HG3 PRO 29 3HG PRO 29 -6.198 -20.698 -2.870 229 HD2 PRO 29 2HD PRO 29 -5.123 -18.606 -4.213 230 HD3 PRO 29 3HD PRO 29 -4.494 -20.260 -4.359 231 H LYS 30 H LYS 30 -9.541 -20.934 -5.883 232 HA LYS 30 HA LYS 30 -10.364 -18.370 -7.068 233 HB2 LYS 30 2HB LYS 30 -11.649 -21.088 -7.003 234 HB3 LYS 30 3HB LYS 30 -12.598 -19.645 -7.336 235 HG2 LYS 30 2HG LYS 30 -11.744 -19.397 -9.404 236 HG3 LYS 30 3HG LYS 30 -10.138 -19.951 -8.926 237 HD2 LYS 30 2HD LYS 30 -12.063 -22.092 -8.743 238 HD3 LYS 30 3HD LYS 30 -12.067 -21.379 -10.358 239 HE2 LYS 30 2HE LYS 30 -10.468 -23.174 -10.299 240 HE3 LYS 30 3HE LYS 30 -9.604 -21.643 -10.427 241 HZ1 LYS 30 3HZ LYS 30 -8.430 -22.727 -8.797 242 HZ2 LYS 30 1HZ LYS 30 -9.794 -23.479 -8.139 243 HZ3 LYS 30 2HZ LYS 30 -9.519 -21.834 -7.860 244 H PHE 31 H PHE 31 -9.784 -19.382 -4.149 245 HA PHE 31 HA PHE 31 -12.314 -18.795 -2.861 246 HB2 PHE 31 2HB PHE 31 -10.268 -20.415 -2.149 247 HB3 PHE 31 3HB PHE 31 -9.848 -18.972 -1.232 248 HD1 PHE 31 HD1 PHE 31 -10.600 -18.910 0.925 249 HD2 PHE 31 HD2 PHE 31 -12.916 -20.962 -1.998 250 HE1 PHE 31 HE1 PHE 31 -12.225 -19.541 2.661 251 HE2 PHE 31 HE2 PHE 31 -14.545 -21.595 -0.267 252 HZ PHE 31 HZ PHE 31 -14.202 -20.884 2.066 253 H ASP 32 H ASP 32 -12.154 -17.264 -0.888 254 HA ASP 32 HA ASP 32 -11.786 -14.657 -1.824 255 HB2 ASP 32 2HB ASP 32 -11.999 -15.737 0.990 256 HB3 ASP 32 3HB ASP 32 -11.978 -14.016 0.613 257 H ASN 33 H ASN 33 -10.295 -13.014 -1.095 258 HA ASN 33 HA ASN 33 -8.179 -12.190 -0.924 259 HB2 ASN 33 2HB ASN 33 -8.619 -13.009 1.428 260 HB3 ASN 33 3HB ASN 33 -7.717 -14.463 1.012 261 HD21 ASN 33 2HD2 ASN 33 -5.263 -12.387 2.627 262 HD22 ASN 33 1HD2 ASN 33 -6.627 -13.378 3.005 263 H LYS 34 H LYS 34 -8.758 -14.462 -2.821 264 HA LYS 34 HA LYS 34 -5.983 -14.949 -3.549 265 HB2 LYS 34 2HB LYS 34 -7.952 -17.097 -2.843 266 HB3 LYS 34 3HB LYS 34 -6.710 -17.407 -4.049 267 HG2 LYS 34 2HG LYS 34 -5.443 -18.036 -2.330 268 HG3 LYS 34 3HG LYS 34 -5.270 -16.311 -1.994 269 HD2 LYS 34 2HD LYS 34 -6.806 -16.357 -0.274 270 HD3 LYS 34 3HD LYS 34 -7.630 -17.784 -0.908 271 HE2 LYS 34 2HE LYS 34 -6.134 -19.233 0.032 272 HE3 LYS 34 3HE LYS 34 -4.803 -18.080 -0.045 273 HZ1 LYS 34 3HZ LYS 34 -7.086 -17.865 1.839 274 HZ2 LYS 34 1HZ LYS 34 -5.693 -16.906 1.819 275 HZ3 LYS 34 2HZ LYS 34 -5.587 -18.542 2.235 276 H LYS 35 H LYS 35 -8.062 -13.305 -4.647 277 HA LYS 35 HA LYS 35 -8.932 -14.683 -7.061 278 HB2 LYS 35 2HB LYS 35 -10.395 -12.912 -7.420 279 HB3 LYS 35 3HB LYS 35 -10.326 -12.997 -5.665 280 HG2 LYS 35 2HG LYS 35 -8.672 -11.173 -5.667 281 HG3 LYS 35 3HG LYS 35 -8.828 -11.064 -7.422 282 HD2 LYS 35 2HD LYS 35 -10.248 -9.389 -6.601 283 HD3 LYS 35 3HD LYS 35 -11.329 -10.727 -6.997 284 HE2 LYS 35 2HE LYS 35 -10.788 -11.342 -4.448 285 HE3 LYS 35 3HE LYS 35 -10.581 -9.593 -4.367 286 HZ1 LYS 35 3HZ LYS 35 -13.001 -11.002 -5.359 287 HZ2 LYS 35 1HZ LYS 35 -12.801 -9.324 -5.281 288 HZ3 LYS 35 2HZ LYS 35 -12.850 -10.237 -3.858 289 H CYS 36 H CYS 36 -8.369 -14.038 -9.159 290 HA CYS 36 HA CYS 36 -5.966 -12.341 -9.339 291 HB2 CYS 36 2HB CYS 36 -5.964 -15.018 -9.795 292 HB3 CYS 36 3HB CYS 36 -6.328 -14.417 -11.410 293 H THR 37 H THR 37 -5.895 -10.847 -10.947 294 HA THR 37 HA THR 37 -8.127 -10.794 -12.864 295 HB THR 37 HB THR 37 -7.148 -8.153 -12.001 296 HG1 THR 37 HG1 THR 37 -8.558 -9.886 -10.238 297 HG21 THR 37 3HG2 THR 37 -9.231 -9.036 -13.470 298 HG22 THR 37 1HG2 THR 37 -9.222 -7.489 -12.623 299 HG23 THR 37 2HG2 THR 37 -10.005 -8.890 -11.892 300 H LYS 38 H LYS 38 -7.511 -8.609 -14.318 301 HA LYS 38 HA LYS 38 -5.609 -9.450 -16.118 302 HB2 LYS 38 2HB LYS 38 -7.296 -7.230 -15.842 303 HB3 LYS 38 3HB LYS 38 -5.681 -6.558 -16.026 304 HG2 LYS 38 2HG LYS 38 -5.860 -6.843 -18.210 305 HG3 LYS 38 3HG LYS 38 -5.903 -8.588 -17.949 306 HD2 LYS 38 2HD LYS 38 -7.831 -7.973 -19.233 307 HD3 LYS 38 3HD LYS 38 -8.367 -8.407 -17.608 308 HE2 LYS 38 2HE LYS 38 -7.888 -5.709 -17.398 309 HE3 LYS 38 3HE LYS 38 -8.541 -5.863 -19.029 310 HZ1 LYS 38 3HZ LYS 38 -9.984 -5.765 -16.709 311 HZ2 LYS 38 1HZ LYS 38 -10.022 -7.402 -17.136 312 HZ3 LYS 38 2HZ LYS 38 -10.565 -6.230 -18.228 313 H ASP 39 H ASP 39 -3.466 -8.854 -16.578 314 HA ASP 39 HA ASP 39 -1.698 -8.806 -14.439 315 HB2 ASP 39 2HB ASP 39 -0.923 -7.591 -17.068 316 HB3 ASP 39 3HB ASP 39 0.014 -8.640 -16.008 317 H ASN 40 H ASN 40 -2.594 -6.093 -16.573 318 HA ASN 40 HA ASN 40 -1.280 -4.197 -14.830 319 HB2 ASN 40 2HB ASN 40 -2.733 -4.019 -17.449 320 HB3 ASN 40 3HB ASN 40 -2.426 -2.557 -16.517 321 HD21 ASN 40 2HD2 ASN 40 0.987 -4.573 -17.432 322 HD22 ASN 40 1HD2 ASN 40 -0.318 -5.346 -16.604 323 H ASN 41 H ASN 41 -4.182 -5.762 -14.739 324 HA ASN 41 HA ASN 41 -6.124 -3.887 -14.198 325 HB2 ASN 41 2HB ASN 41 -6.606 -6.276 -14.317 326 HB3 ASN 41 3HB ASN 41 -5.694 -6.555 -12.836 327 HD21 ASN 41 2HD2 ASN 41 -8.327 -5.833 -10.727 328 HD22 ASN 41 1HD2 ASN 41 -6.705 -6.388 -10.941 329 H LYS 42 H LYS 42 -4.979 -5.691 -11.412 330 HA LYS 42 HA LYS 42 -3.968 -3.342 -10.073 331 HB2 LYS 42 2HB LYS 42 -6.611 -4.574 -9.355 332 HB3 LYS 42 3HB LYS 42 -5.628 -3.789 -8.126 333 HG2 LYS 42 2HG LYS 42 -5.610 -1.758 -9.644 334 HG3 LYS 42 3HG LYS 42 -6.878 -2.568 -10.566 335 HD2 LYS 42 2HD LYS 42 -7.466 -2.635 -7.745 336 HD3 LYS 42 3HD LYS 42 -7.187 -0.978 -8.285 337 HE2 LYS 42 2HE LYS 42 -9.055 -0.942 -9.549 338 HE3 LYS 42 3HE LYS 42 -8.864 -2.618 -10.062 339 HZ1 LYS 42 3HZ LYS 42 -9.765 -1.857 -7.342 340 HZ2 LYS 42 1HZ LYS 42 -9.827 -3.386 -8.064 341 HZ3 LYS 42 2HZ LYS 42 -10.836 -2.147 -8.619 342 H CYS 43 H CYS 43 -2.813 -5.814 -10.795 343 HA CYS 43 HA CYS 43 -2.742 -7.544 -8.502 344 HB2 CYS 43 2HB CYS 43 -2.351 -8.680 -10.507 345 HB3 CYS 43 3HB CYS 43 -1.269 -7.431 -11.115 346 H THR 44 H THR 44 -1.423 -7.453 -6.797 347 HA THR 44 HA THR 44 1.091 -5.993 -6.949 348 HB THR 44 HB THR 44 0.124 -5.106 -4.514 349 HG1 THR 44 HG1 THR 44 -2.007 -5.785 -5.646 350 HG21 THR 44 3HG2 THR 44 1.123 -3.334 -5.425 351 HG22 THR 44 1HG2 THR 44 -0.346 -3.041 -6.354 352 HG23 THR 44 2HG2 THR 44 0.955 -4.013 -7.043 353 H VAL 45 H VAL 45 2.413 -6.291 -4.975 354 HA VAL 45 HA VAL 45 1.941 -8.963 -3.852 355 HB VAL 45 HB VAL 45 4.061 -8.703 -5.034 356 HG11 VAL 45 1HG1 VAL 45 5.364 -6.982 -3.089 357 HG12 VAL 45 2HG1 VAL 45 5.392 -6.922 -4.853 358 HG13 VAL 45 3HG1 VAL 45 4.074 -6.157 -3.964 359 HG21 VAL 45 3HG2 VAL 45 3.770 -9.518 -2.297 360 HG22 VAL 45 1HG2 VAL 45 4.771 -10.216 -3.570 361 HG23 VAL 45 2HG2 VAL 45 5.400 -8.903 -2.574 362 H ASP 46 H ASP 46 1.325 -9.149 -1.808 363 HA ASP 46 HA ASP 46 2.164 -7.126 0.139 364 HB2 ASP 46 2HB ASP 46 -0.666 -8.154 0.134 365 HB3 ASP 46 3HB ASP 46 -0.004 -6.762 0.988 366 H THR 47 H THR 47 2.449 -7.879 2.219 367 HA THR 47 HA THR 47 1.844 -10.697 2.751 368 HB THR 47 HB THR 47 4.150 -10.710 1.977 369 HG1 THR 47 HG1 THR 47 5.106 -11.470 4.038 370 HG21 THR 47 3HG2 THR 47 5.768 -9.485 3.702 371 HG22 THR 47 1HG2 THR 47 4.381 -8.406 3.837 372 HG23 THR 47 2HG2 THR 47 5.140 -8.674 2.268 373 H TYR 48 H TYR 48 1.465 -7.629 3.684 374 HA TYR 48 HA TYR 48 2.002 -7.862 6.503 375 HB2 TYR 48 2HB TYR 48 0.734 -5.774 4.758 376 HB3 TYR 48 3HB TYR 48 0.595 -5.672 6.510 377 HD1 TYR 48 HD1 TYR 48 2.265 -4.224 4.003 378 HD2 TYR 48 HD2 TYR 48 3.149 -6.420 7.539 379 HE1 TYR 48 HE1 TYR 48 4.475 -3.151 4.110 380 HE2 TYR 48 HE2 TYR 48 5.361 -5.352 7.656 381 HH TYR 48 HH TYR 48 6.645 -3.682 6.839 382 H ASN 49 H ASN 49 -0.868 -7.903 4.428 383 HA ASN 49 HA ASN 49 -2.532 -8.597 6.734 384 HB2 ASN 49 2HB ASN 49 -3.085 -6.847 4.816 385 HB3 ASN 49 3HB ASN 49 -3.668 -8.290 3.991 386 HD21 ASN 49 2HD2 ASN 49 -6.533 -6.886 5.754 387 HD22 ASN 49 1HD2 ASN 49 -5.488 -6.453 4.448 388 H ASN 50 H ASN 50 -0.560 -10.314 5.027 389 HA ASN 50 HA ASN 50 -0.384 -12.526 4.520 390 HB2 ASN 50 2HB ASN 50 -1.393 -13.588 6.224 391 HB3 ASN 50 3HB ASN 50 -2.686 -12.394 6.302 392 HD21 ASN 50 2HD2 ASN 50 -4.938 -14.220 4.326 393 HD22 ASN 50 1HD2 ASN 50 -4.500 -12.652 4.906 394 H ALA 51 H ALA 51 -2.256 -10.410 3.012 395 HA ALA 51 HA ALA 51 -3.902 -12.021 1.345 396 HB1 ALA 51 1HB ALA 51 -4.730 -10.011 0.909 397 HB2 ALA 51 2HB ALA 51 -3.349 -9.235 1.686 398 HB3 ALA 51 3HB ALA 51 -3.280 -9.646 -0.028 399 H VAL 52 H VAL 52 -3.555 -12.830 -0.689 400 HA VAL 52 HA VAL 52 -0.794 -13.277 -1.426 401 HB VAL 52 HB VAL 52 -3.220 -14.196 -2.957 402 HG11 VAL 52 1HG1 VAL 52 -1.298 -14.585 -4.228 403 HG12 VAL 52 2HG1 VAL 52 -0.344 -15.040 -2.815 404 HG13 VAL 52 3HG1 VAL 52 -1.597 -16.124 -3.420 405 HG21 VAL 52 3HG2 VAL 52 -3.681 -14.999 -0.806 406 HG22 VAL 52 1HG2 VAL 52 -2.869 -16.344 -1.608 407 HG23 VAL 52 2HG2 VAL 52 -1.983 -15.330 -0.468 408 H ASP 53 H ASP 53 0.032 -12.897 -3.569 409 HA ASP 53 HA ASP 53 -0.823 -10.324 -4.604 410 HB2 ASP 53 2HB ASP 53 1.365 -11.798 -5.950 411 HB3 ASP 53 3HB ASP 53 1.280 -10.111 -5.452 412 H CYS 54 H CYS 54 -2.708 -10.639 -5.723 413 HA CYS 54 HA CYS 54 -2.462 -11.752 -8.356 414 HB2 CYS 54 2HB CYS 54 -3.927 -13.210 -6.215 415 HB3 CYS 54 3HB CYS 54 -4.675 -13.146 -7.808 416 H ASP 55 H ASP 55 -3.508 -10.398 -9.641 417 HA ASP 55 HA ASP 55 -6.157 -9.651 -9.480 418 HB2 ASP 55 2HB ASP 55 -4.444 -8.084 -7.716 419 HB3 ASP 55 3HB ASP 55 -5.309 -7.079 -8.875 Start of MODEL 20 1 H1 ALA 1 H ALA 1 0.915 -0.323 0.817 2 HA ALA 1 HA ALA 1 1.527 -1.326 -1.751 3 HB1 ALA 1 1HB ALA 1 3.102 0.982 -1.188 4 HB2 ALA 1 2HB ALA 1 1.658 0.842 -2.193 5 HB3 ALA 1 3HB ALA 1 1.504 1.191 -0.471 6 H LYS 2 H LYS 2 3.369 -2.118 -2.630 7 HA LYS 2 HA LYS 2 5.870 -2.026 -1.159 8 HB2 LYS 2 2HB LYS 2 4.393 -4.592 -1.731 9 HB3 LYS 2 3HB LYS 2 6.129 -4.550 -1.451 10 HG2 LYS 2 2HG LYS 2 5.662 -3.463 0.753 11 HG3 LYS 2 3HG LYS 2 3.947 -3.769 0.466 12 HD2 LYS 2 2HD LYS 2 4.858 -5.527 1.848 13 HD3 LYS 2 3HD LYS 2 4.453 -6.182 0.260 14 HE2 LYS 2 2HE LYS 2 7.204 -5.162 0.593 15 HE3 LYS 2 3HE LYS 2 6.800 -6.618 1.501 16 HZ1 LYS 2 3HZ LYS 2 6.522 -7.833 -0.388 17 HZ2 LYS 2 1HZ LYS 2 7.690 -6.744 -0.945 18 HZ3 LYS 2 2HZ LYS 2 6.061 -6.505 -1.330 19 H TYR 3 H TYR 3 4.678 -4.179 -3.724 20 HA TYR 3 HA TYR 3 6.412 -2.783 -5.639 21 HB2 TYR 3 2HB TYR 3 7.025 -5.270 -4.527 22 HB3 TYR 3 3HB TYR 3 6.368 -5.646 -6.116 23 HD1 TYR 3 HD1 TYR 3 7.373 -4.365 -8.123 24 HD2 TYR 3 HD2 TYR 3 9.250 -4.614 -4.313 25 HE1 TYR 3 HE1 TYR 3 9.531 -3.796 -9.156 26 HE2 TYR 3 HE2 TYR 3 11.413 -4.044 -5.335 27 HH TYR 3 HH TYR 3 12.491 -3.539 -7.204 28 H THR 4 H THR 4 5.860 -3.160 -7.874 29 HA THR 4 HA THR 4 2.988 -3.625 -8.203 30 HB THR 4 HB THR 4 3.750 -1.508 -9.078 31 HG1 THR 4 HG1 THR 4 2.172 -2.335 -10.374 32 HG21 THR 4 3HG2 THR 4 6.042 -2.998 -9.846 33 HG22 THR 4 1HG2 THR 4 5.782 -1.258 -9.953 34 HG23 THR 4 2HG2 THR 4 5.337 -2.301 -11.304 35 H GLY 5 H GLY 5 2.281 -5.483 -9.013 36 HA2 GLY 5 2HA GLY 5 4.062 -6.981 -10.831 37 HA3 GLY 5 3HA GLY 5 3.171 -7.786 -9.548 38 H LYS 6 H LYS 6 2.789 -8.791 -11.962 39 HA LYS 6 HA LYS 6 0.065 -7.926 -12.619 40 HB2 LYS 6 2HB LYS 6 1.084 -8.786 -15.050 41 HB3 LYS 6 3HB LYS 6 0.762 -7.120 -14.587 42 HG2 LYS 6 2HG LYS 6 3.041 -6.831 -13.865 43 HG3 LYS 6 3HG LYS 6 3.387 -8.535 -14.168 44 HD2 LYS 6 2HD LYS 6 3.868 -8.087 -16.291 45 HD3 LYS 6 3HD LYS 6 2.270 -7.375 -16.528 46 HE2 LYS 6 2HE LYS 6 3.030 -5.253 -16.264 47 HE3 LYS 6 3HE LYS 6 4.261 -5.724 -15.094 48 HZ1 LYS 6 3HZ LYS 6 4.700 -6.712 -17.774 49 HZ2 LYS 6 1HZ LYS 6 5.786 -5.999 -16.691 50 HZ3 LYS 6 2HZ LYS 6 4.769 -5.028 -17.631 51 H CYS 7 H CYS 7 -1.336 -9.564 -12.717 52 HA CYS 7 HA CYS 7 -0.252 -12.297 -12.935 53 HB2 CYS 7 2HB CYS 7 -1.291 -12.813 -11.026 54 HB3 CYS 7 3HB CYS 7 -1.798 -11.135 -10.866 55 H THR 8 H THR 8 -1.242 -13.726 -14.296 56 HA THR 8 HA THR 8 -3.241 -12.579 -16.116 57 HB THR 8 HB THR 8 -1.236 -13.347 -17.241 58 HG1 THR 8 HG1 THR 8 -3.237 -13.713 -18.312 59 HG21 THR 8 3HG2 THR 8 -1.482 -16.181 -16.901 60 HG22 THR 8 1HG2 THR 8 -1.301 -15.414 -15.324 61 HG23 THR 8 2HG2 THR 8 -0.094 -15.142 -16.581 62 H LYS 9 H LYS 9 -5.278 -13.208 -15.918 63 HA LYS 9 HA LYS 9 -6.226 -15.065 -14.093 64 HB2 LYS 9 2HB LYS 9 -7.448 -13.224 -15.512 65 HB3 LYS 9 3HB LYS 9 -7.739 -14.554 -16.626 66 HG2 LYS 9 2HG LYS 9 -9.122 -15.661 -15.158 67 HG3 LYS 9 3HG LYS 9 -8.415 -14.884 -13.740 68 HD2 LYS 9 2HD LYS 9 -10.333 -13.682 -13.819 69 HD3 LYS 9 3HD LYS 9 -9.409 -12.723 -14.978 70 HE2 LYS 9 2HE LYS 9 -10.363 -14.215 -16.779 71 HE3 LYS 9 3HE LYS 9 -11.448 -14.863 -15.550 72 HZ1 LYS 9 3HZ LYS 9 -11.714 -12.501 -17.046 73 HZ2 LYS 9 1HZ LYS 9 -11.582 -12.084 -15.412 74 HZ3 LYS 9 2HZ LYS 9 -12.787 -13.158 -15.916 75 H SER 10 H SER 10 -4.887 -15.568 -17.224 76 HA SER 10 HA SER 10 -6.073 -18.002 -17.933 77 HB2 SER 10 2HB SER 10 -4.412 -16.418 -19.231 78 HB3 SER 10 3HB SER 10 -3.189 -17.495 -18.555 79 HG SER 10 HG SER 10 -4.675 -17.903 -20.681 80 H LYS 11 H LYS 11 -3.193 -17.315 -15.989 81 HA LYS 11 HA LYS 11 -3.058 -20.161 -15.260 82 HB2 LYS 11 2HB LYS 11 -1.043 -18.031 -15.601 83 HB3 LYS 11 3HB LYS 11 -0.788 -19.088 -14.218 84 HG2 LYS 11 2HG LYS 11 -0.493 -20.964 -15.539 85 HG3 LYS 11 3HG LYS 11 -1.324 -20.246 -16.921 86 HD2 LYS 11 2HD LYS 11 0.513 -19.000 -17.547 87 HD3 LYS 11 3HD LYS 11 1.197 -18.998 -15.919 88 HE2 LYS 11 2HE LYS 11 1.771 -21.356 -16.148 89 HE3 LYS 11 3HE LYS 11 1.049 -21.388 -17.756 90 HZ1 LYS 11 3HZ LYS 11 3.306 -21.118 -18.152 91 HZ2 LYS 11 1HZ LYS 11 3.517 -20.030 -16.874 92 HZ3 LYS 11 2HZ LYS 11 2.711 -19.540 -18.278 93 H ASN 12 H ASN 12 -3.997 -17.124 -14.114 94 HA ASN 12 HA ASN 12 -4.768 -16.387 -12.105 95 HB2 ASN 12 2HB ASN 12 -5.394 -19.116 -12.187 96 HB3 ASN 12 3HB ASN 12 -4.682 -18.860 -10.597 97 HD21 ASN 12 2HD2 ASN 12 -7.798 -17.895 -9.460 98 HD22 ASN 12 1HD2 ASN 12 -6.443 -18.961 -9.340 99 H GLU 13 H GLU 13 -1.957 -16.386 -12.618 100 HA GLU 13 HA GLU 13 -0.986 -16.407 -9.846 101 HB2 GLU 13 2HB GLU 13 1.080 -17.410 -10.432 102 HB3 GLU 13 3HB GLU 13 -0.168 -18.413 -11.158 103 HG2 GLU 13 2HG GLU 13 0.213 -17.131 -13.294 104 HG3 GLU 13 3HG GLU 13 1.636 -16.438 -12.520 105 H CYS 14 H CYS 14 0.647 -14.878 -9.375 106 HA CYS 14 HA CYS 14 0.911 -12.745 -11.392 107 HB2 CYS 14 2HB CYS 14 -0.500 -12.288 -9.283 108 HB3 CYS 14 3HB CYS 14 1.035 -12.270 -8.422 109 H LYS 15 H LYS 15 2.888 -11.621 -11.491 110 HA LYS 15 HA LYS 15 5.118 -12.557 -9.884 111 HB2 LYS 15 2HB LYS 15 6.450 -13.366 -11.654 112 HB3 LYS 15 3HB LYS 15 4.872 -14.105 -11.895 113 HG2 LYS 15 2HG LYS 15 5.800 -11.628 -13.329 114 HG3 LYS 15 3HG LYS 15 5.958 -13.264 -13.972 115 HD2 LYS 15 2HD LYS 15 3.318 -13.169 -13.239 116 HD3 LYS 15 3HD LYS 15 3.613 -11.524 -13.808 117 HE2 LYS 15 2HE LYS 15 4.852 -12.992 -15.733 118 HE3 LYS 15 3HE LYS 15 3.517 -14.056 -15.294 119 HZ1 LYS 15 3HZ LYS 15 2.589 -11.401 -15.541 120 HZ2 LYS 15 1HZ LYS 15 2.124 -12.773 -16.414 121 HZ3 LYS 15 2HZ LYS 15 3.427 -11.835 -16.945 122 H TYR 16 H TYR 16 6.824 -11.114 -9.796 123 HA TYR 16 HA TYR 16 6.774 -8.761 -11.513 124 HB2 TYR 16 2HB TYR 16 6.744 -7.185 -9.685 125 HB3 TYR 16 3HB TYR 16 5.330 -8.226 -9.550 126 HD1 TYR 16 HD1 TYR 16 8.122 -6.873 -7.841 127 HD2 TYR 16 HD2 TYR 16 5.563 -10.271 -7.959 128 HE1 TYR 16 HE1 TYR 16 8.759 -7.425 -5.531 129 HE2 TYR 16 HE2 TYR 16 6.192 -10.831 -5.648 130 HH TYR 16 HH TYR 16 8.002 -10.421 -4.082 131 H LYS 17 H LYS 17 8.693 -7.319 -11.027 132 HA LYS 17 HA LYS 17 11.039 -9.011 -10.779 133 HB2 LYS 17 2HB LYS 17 10.822 -7.333 -12.608 134 HB3 LYS 17 3HB LYS 17 10.864 -6.056 -11.399 135 HG2 LYS 17 2HG LYS 17 13.107 -6.622 -10.785 136 HG3 LYS 17 3HG LYS 17 13.074 -8.057 -11.812 137 HD2 LYS 17 2HD LYS 17 12.405 -6.052 -13.562 138 HD3 LYS 17 3HD LYS 17 13.576 -5.263 -12.503 139 HE2 LYS 17 2HE LYS 17 15.202 -6.251 -13.650 140 HE3 LYS 17 3HE LYS 17 14.620 -7.807 -13.061 141 HZ1 LYS 17 3HZ LYS 17 14.597 -6.838 -15.681 142 HZ2 LYS 17 1HZ LYS 17 12.987 -6.992 -15.186 143 HZ3 LYS 17 2HZ LYS 17 14.024 -8.325 -15.113 144 H ASN 18 H ASN 18 11.847 -9.383 -8.825 145 HA ASN 18 HA ASN 18 11.481 -7.443 -6.687 146 HB2 ASN 18 2HB ASN 18 12.341 -9.190 -5.214 147 HB3 ASN 18 3HB ASN 18 11.067 -9.838 -6.245 148 HD21 ASN 18 2HD2 ASN 18 14.167 -12.019 -6.055 149 HD22 ASN 18 1HD2 ASN 18 13.313 -11.138 -4.838 150 H SER 19 H SER 19 13.543 -7.466 -5.120 151 HA SER 19 HA SER 19 15.536 -5.991 -6.514 152 HB2 SER 19 2HB SER 19 14.720 -5.866 -4.004 153 HB3 SER 19 3HB SER 19 16.017 -7.034 -3.752 154 HG SER 19 HG SER 19 16.228 -4.425 -4.844 155 H ALA 20 H ALA 20 15.340 -9.261 -5.239 156 HA ALA 20 HA ALA 20 18.042 -9.972 -5.478 157 HB1 ALA 20 1HB ALA 20 15.796 -11.217 -4.571 158 HB2 ALA 20 2HB ALA 20 16.135 -12.120 -6.048 159 HB3 ALA 20 3HB ALA 20 17.364 -11.994 -4.789 160 H GLY 21 H GLY 21 15.558 -9.578 -7.856 161 HA2 GLY 21 2HA GLY 21 15.972 -9.337 -10.162 162 HA3 GLY 21 3HA GLY 21 17.506 -10.169 -9.951 163 H LYS 22 H LYS 22 15.865 -12.216 -8.316 164 HA LYS 22 HA LYS 22 15.400 -13.981 -10.549 165 HB2 LYS 22 2HB LYS 22 16.315 -14.441 -8.072 166 HB3 LYS 22 3HB LYS 22 14.611 -14.777 -7.797 167 HG2 LYS 22 2HG LYS 22 14.677 -16.397 -9.671 168 HG3 LYS 22 3HG LYS 22 16.416 -16.118 -9.798 169 HD2 LYS 22 2HD LYS 22 16.588 -17.835 -8.362 170 HD3 LYS 22 3HD LYS 22 16.129 -16.650 -7.137 171 HE2 LYS 22 2HE LYS 22 13.904 -17.362 -7.116 172 HE3 LYS 22 3HE LYS 22 14.056 -18.182 -8.669 173 HZ1 LYS 22 3HZ LYS 22 15.872 -19.269 -6.785 174 HZ2 LYS 22 1HZ LYS 22 14.640 -20.043 -7.648 175 HZ3 LYS 22 2HZ LYS 22 14.299 -19.307 -6.164 176 H ASP 23 H ASP 23 13.558 -13.947 -11.644 177 HA ASP 23 HA ASP 23 11.218 -12.652 -10.906 178 HB2 ASP 23 2HB ASP 23 10.149 -14.246 -12.644 179 HB3 ASP 23 3HB ASP 23 11.407 -13.137 -13.184 180 H THR 24 H THR 24 9.568 -13.124 -9.603 181 HA THR 24 HA THR 24 9.362 -15.878 -8.569 182 HB THR 24 HB THR 24 10.090 -14.522 -6.753 183 HG1 THR 24 HG1 THR 24 7.298 -14.542 -6.327 184 HG21 THR 24 3HG2 THR 24 9.779 -12.314 -6.901 185 HG22 THR 24 1HG2 THR 24 8.148 -12.593 -6.295 186 HG23 THR 24 2HG2 THR 24 8.440 -12.506 -8.032 187 H PHE 25 H PHE 25 7.516 -16.887 -8.996 188 HA PHE 25 HA PHE 25 5.092 -15.281 -9.438 189 HB2 PHE 25 2HB PHE 25 4.442 -16.712 -11.289 190 HB3 PHE 25 3HB PHE 25 6.032 -16.026 -11.610 191 HD1 PHE 25 HD1 PHE 25 8.068 -17.468 -11.153 192 HD2 PHE 25 HD2 PHE 25 4.107 -19.017 -11.312 193 HE1 PHE 25 HE1 PHE 25 8.970 -19.728 -11.519 194 HE2 PHE 25 HE2 PHE 25 5.002 -21.279 -11.677 195 HZ PHE 25 HZ PHE 25 7.437 -21.637 -11.780 196 H ILE 26 H ILE 26 3.163 -16.185 -8.749 197 HA ILE 26 HA ILE 26 3.192 -18.850 -7.573 198 HB ILE 26 HB ILE 26 3.878 -17.481 -5.698 199 HG12 ILE 26 2HG1 ILE 26 1.105 -17.769 -4.844 200 HG13 ILE 26 3HG1 ILE 26 1.677 -19.173 -5.739 201 HG21 ILE 26 1HG2 ILE 26 1.351 -15.883 -6.055 202 HG22 ILE 26 2HG2 ILE 26 2.652 -15.600 -4.900 203 HG23 ILE 26 3HG2 ILE 26 2.935 -15.353 -6.623 204 HD11 ILE 26 3HD1 ILE 26 3.753 -18.772 -4.064 205 HD12 ILE 26 1HD1 ILE 26 2.412 -18.201 -3.073 206 HD13 ILE 26 2HD1 ILE 26 2.391 -19.839 -3.726 207 H LYS 27 H LYS 27 1.282 -19.869 -7.772 208 HA LYS 27 HA LYS 27 -0.865 -18.463 -9.128 209 HB2 LYS 27 2HB LYS 27 -0.652 -21.378 -8.353 210 HB3 LYS 27 3HB LYS 27 -1.855 -20.676 -9.426 211 HG2 LYS 27 2HG LYS 27 -0.449 -20.613 -11.178 212 HG3 LYS 27 3HG LYS 27 0.945 -20.189 -10.182 213 HD2 LYS 27 2HD LYS 27 1.378 -22.355 -11.029 214 HD3 LYS 27 3HD LYS 27 0.905 -22.577 -9.343 215 HE2 LYS 27 2HE LYS 27 -0.936 -23.731 -9.895 216 HE3 LYS 27 3HE LYS 27 -1.338 -22.636 -11.217 217 HZ1 LYS 27 3HZ LYS 27 0.522 -24.940 -11.268 218 HZ2 LYS 27 1HZ LYS 27 0.495 -23.768 -12.487 219 HZ3 LYS 27 2HZ LYS 27 -0.877 -24.711 -12.189 220 H CYS 28 H CYS 28 -3.007 -18.352 -8.391 221 HA CYS 28 HA CYS 28 -3.322 -18.746 -5.486 222 HB2 CYS 28 2HB CYS 28 -4.849 -16.712 -7.100 223 HB3 CYS 28 3HB CYS 28 -4.649 -16.793 -5.353 224 HA PRO 29 HA PRO 29 -6.641 -21.488 -6.412 225 HB2 PRO 29 2HB PRO 29 -7.957 -21.367 -4.041 226 HB3 PRO 29 3HB PRO 29 -6.428 -22.230 -4.248 227 HG2 PRO 29 2HG PRO 29 -6.925 -19.500 -3.125 228 HG3 PRO 29 3HG PRO 29 -5.842 -20.773 -2.533 229 HD2 PRO 29 2HD PRO 29 -4.954 -18.659 -3.974 230 HD3 PRO 29 3HD PRO 29 -4.199 -20.262 -4.067 231 H LYS 30 H LYS 30 -9.198 -21.391 -5.482 232 HA LYS 30 HA LYS 30 -10.237 -18.952 -6.755 233 HB2 LYS 30 2HB LYS 30 -10.729 -21.459 -7.523 234 HB3 LYS 30 3HB LYS 30 -11.981 -21.321 -6.295 235 HG2 LYS 30 2HG LYS 30 -13.095 -19.633 -7.442 236 HG3 LYS 30 3HG LYS 30 -11.684 -19.241 -8.427 237 HD2 LYS 30 2HD LYS 30 -12.271 -21.942 -8.935 238 HD3 LYS 30 3HD LYS 30 -13.818 -21.091 -8.957 239 HE2 LYS 30 2HE LYS 30 -13.003 -21.000 -11.168 240 HE3 LYS 30 3HE LYS 30 -12.712 -19.402 -10.484 241 HZ1 LYS 30 3HZ LYS 30 -10.580 -21.402 -10.295 242 HZ2 LYS 30 1HZ LYS 30 -10.471 -19.721 -10.449 243 HZ3 LYS 30 2HZ LYS 30 -10.855 -20.670 -11.795 244 H PHE 31 H PHE 31 -9.530 -19.778 -3.807 245 HA PHE 31 HA PHE 31 -12.076 -19.329 -2.495 246 HB2 PHE 31 2HB PHE 31 -9.915 -20.763 -1.752 247 HB3 PHE 31 3HB PHE 31 -9.567 -19.250 -0.921 248 HD1 PHE 31 HD1 PHE 31 -12.488 -21.507 -1.486 249 HD2 PHE 31 HD2 PHE 31 -10.295 -19.084 1.241 250 HE1 PHE 31 HE1 PHE 31 -14.029 -22.151 0.321 251 HE2 PHE 31 HE2 PHE 31 -11.832 -19.724 3.052 252 HZ PHE 31 HZ PHE 31 -13.701 -21.261 2.593 253 H ASP 32 H ASP 32 -12.024 -17.697 -0.611 254 HA ASP 32 HA ASP 32 -11.870 -15.118 -1.661 255 HB2 ASP 32 2HB ASP 32 -12.678 -16.320 0.783 256 HB3 ASP 32 3HB ASP 32 -11.590 -14.993 1.183 257 H ASN 33 H ASN 33 -10.495 -13.335 -1.060 258 HA ASN 33 HA ASN 33 -8.449 -12.340 -0.973 259 HB2 ASN 33 2HB ASN 33 -8.758 -13.053 1.421 260 HB3 ASN 33 3HB ASN 33 -7.796 -14.482 1.058 261 HD21 ASN 33 2HD2 ASN 33 -5.365 -12.267 2.471 262 HD22 ASN 33 1HD2 ASN 33 -6.641 -13.340 2.925 263 H LYS 34 H LYS 34 -8.892 -14.758 -2.736 264 HA LYS 34 HA LYS 34 -6.091 -15.078 -3.489 265 HB2 LYS 34 2HB LYS 34 -7.958 -17.334 -2.802 266 HB3 LYS 34 3HB LYS 34 -6.608 -17.570 -3.903 267 HG2 LYS 34 2HG LYS 34 -5.285 -17.916 -2.168 268 HG3 LYS 34 3HG LYS 34 -5.582 -16.261 -1.630 269 HD2 LYS 34 2HD LYS 34 -7.001 -16.912 -0.007 270 HD3 LYS 34 3HD LYS 34 -7.732 -18.166 -1.011 271 HE2 LYS 34 2HE LYS 34 -5.658 -19.528 -0.653 272 HE3 LYS 34 3HE LYS 34 -5.138 -18.316 0.516 273 HZ1 LYS 34 3HZ LYS 34 -7.492 -18.796 1.514 274 HZ2 LYS 34 1HZ LYS 34 -6.178 -19.800 1.876 275 HZ3 LYS 34 2HZ LYS 34 -7.309 -20.274 0.711 276 H LYS 35 H LYS 35 -8.272 -13.579 -4.612 277 HA LYS 35 HA LYS 35 -9.063 -15.058 -6.993 278 HB2 LYS 35 2HB LYS 35 -10.629 -13.385 -7.385 279 HB3 LYS 35 3HB LYS 35 -10.552 -13.428 -5.629 280 HG2 LYS 35 2HG LYS 35 -9.012 -11.510 -5.673 281 HG3 LYS 35 3HG LYS 35 -9.173 -11.447 -7.429 282 HD2 LYS 35 2HD LYS 35 -11.672 -11.427 -5.833 283 HD3 LYS 35 3HD LYS 35 -10.676 -9.970 -5.794 284 HE2 LYS 35 2HE LYS 35 -10.847 -9.672 -8.125 285 HE3 LYS 35 3HE LYS 35 -11.464 -11.305 -8.369 286 HZ1 LYS 35 3HZ LYS 35 -13.501 -10.489 -8.223 287 HZ2 LYS 35 1HZ LYS 35 -12.907 -8.938 -7.902 288 HZ3 LYS 35 2HZ LYS 35 -13.205 -10.010 -6.628 289 H CYS 36 H CYS 36 -8.584 -14.375 -9.115 290 HA CYS 36 HA CYS 36 -6.252 -12.586 -9.331 291 HB2 CYS 36 2HB CYS 36 -6.154 -15.259 -9.793 292 HB3 CYS 36 3HB CYS 36 -6.569 -14.671 -11.400 293 H THR 37 H THR 37 -6.354 -11.005 -10.818 294 HA THR 37 HA THR 37 -8.506 -11.098 -12.819 295 HB THR 37 HB THR 37 -9.165 -8.854 -12.423 296 HG1 THR 37 HG1 THR 37 -7.136 -7.931 -11.985 297 HG21 THR 37 3HG2 THR 37 -8.764 -10.143 -9.721 298 HG22 THR 37 1HG2 THR 37 -10.088 -10.493 -10.832 299 HG23 THR 37 2HG2 THR 37 -9.940 -8.889 -10.113 300 H LYS 38 H LYS 38 -8.109 -8.780 -14.126 301 HA LYS 38 HA LYS 38 -6.097 -9.247 -15.907 302 HB2 LYS 38 2HB LYS 38 -7.889 -7.100 -15.342 303 HB3 LYS 38 3HB LYS 38 -6.300 -6.418 -15.660 304 HG2 LYS 38 2HG LYS 38 -6.267 -7.850 -17.754 305 HG3 LYS 38 3HG LYS 38 -7.985 -8.126 -17.461 306 HD2 LYS 38 2HD LYS 38 -7.053 -5.317 -17.389 307 HD3 LYS 38 3HD LYS 38 -7.065 -6.111 -18.966 308 HE2 LYS 38 2HE LYS 38 -9.386 -6.542 -18.834 309 HE3 LYS 38 3HE LYS 38 -9.437 -6.145 -17.117 310 HZ1 LYS 38 3HZ LYS 38 -8.448 -3.920 -18.483 311 HZ2 LYS 38 1HZ LYS 38 -9.920 -4.070 -17.661 312 HZ3 LYS 38 2HZ LYS 38 -9.830 -4.442 -19.309 313 H ASP 39 H ASP 39 -3.952 -9.204 -15.858 314 HA ASP 39 HA ASP 39 -2.412 -8.776 -13.625 315 HB2 ASP 39 2HB ASP 39 -0.683 -8.098 -15.663 316 HB3 ASP 39 3HB ASP 39 -1.029 -9.736 -15.116 317 H ASN 40 H ASN 40 -3.112 -6.455 -16.222 318 HA ASN 40 HA ASN 40 -1.661 -4.337 -14.938 319 HB2 ASN 40 2HB ASN 40 -3.695 -4.002 -17.139 320 HB3 ASN 40 3HB ASN 40 -2.306 -2.981 -16.774 321 HD21 ASN 40 2HD2 ASN 40 -0.127 -5.801 -17.930 322 HD22 ASN 40 1HD2 ASN 40 -0.455 -5.113 -16.379 323 H ASN 41 H ASN 41 -4.668 -5.726 -14.438 324 HA ASN 41 HA ASN 41 -6.353 -3.582 -13.897 325 HB2 ASN 41 2HB ASN 41 -7.158 -5.882 -13.950 326 HB3 ASN 41 3HB ASN 41 -6.207 -6.273 -12.520 327 HD21 ASN 41 2HD2 ASN 41 -8.820 -5.512 -10.423 328 HD22 ASN 41 1HD2 ASN 41 -7.447 -6.485 -10.817 329 H LYS 42 H LYS 42 -5.216 -5.506 -11.174 330 HA LYS 42 HA LYS 42 -3.951 -3.223 -9.916 331 HB2 LYS 42 2HB LYS 42 -6.560 -4.375 -8.975 332 HB3 LYS 42 3HB LYS 42 -5.438 -3.654 -7.828 333 HG2 LYS 42 2HG LYS 42 -5.502 -1.562 -9.152 334 HG3 LYS 42 3HG LYS 42 -6.728 -2.298 -10.186 335 HD2 LYS 42 2HD LYS 42 -7.533 -2.644 -7.485 336 HD3 LYS 42 3HD LYS 42 -7.070 -0.955 -7.703 337 HE2 LYS 42 2HE LYS 42 -8.508 -1.335 -9.943 338 HE3 LYS 42 3HE LYS 42 -9.311 -2.483 -8.874 339 HZ1 LYS 42 3HZ LYS 42 -9.089 -0.287 -7.323 340 HZ2 LYS 42 1HZ LYS 42 -10.468 -0.713 -8.205 341 HZ3 LYS 42 2HZ LYS 42 -9.364 0.395 -8.847 342 H CYS 43 H CYS 43 -2.869 -5.638 -10.762 343 HA CYS 43 HA CYS 43 -2.686 -7.468 -8.550 344 HB2 CYS 43 2HB CYS 43 -2.478 -8.427 -10.720 345 HB3 CYS 43 3HB CYS 43 -1.244 -7.264 -11.192 346 H THR 44 H THR 44 -1.292 -7.420 -6.911 347 HA THR 44 HA THR 44 1.262 -6.059 -7.168 348 HB THR 44 HB THR 44 0.381 -5.126 -4.694 349 HG1 THR 44 HG1 THR 44 -1.791 -5.611 -5.605 350 HG21 THR 44 3HG2 THR 44 0.097 -3.017 -6.515 351 HG22 THR 44 1HG2 THR 44 1.311 -4.086 -7.216 352 HG23 THR 44 2HG2 THR 44 1.537 -3.442 -5.590 353 H VAL 45 H VAL 45 2.647 -6.402 -5.247 354 HA VAL 45 HA VAL 45 2.053 -9.011 -4.025 355 HB VAL 45 HB VAL 45 4.070 -9.078 -5.330 356 HG11 VAL 45 1HG1 VAL 45 4.400 -6.415 -4.385 357 HG12 VAL 45 2HG1 VAL 45 5.827 -7.350 -3.934 358 HG13 VAL 45 3HG1 VAL 45 5.321 -7.269 -5.622 359 HG21 VAL 45 3HG2 VAL 45 5.367 -8.880 -2.704 360 HG22 VAL 45 1HG2 VAL 45 3.902 -9.863 -2.735 361 HG23 VAL 45 2HG2 VAL 45 5.246 -10.248 -3.811 362 H ASP 46 H ASP 46 1.427 -8.963 -1.980 363 HA ASP 46 HA ASP 46 2.710 -7.081 -0.137 364 HB2 ASP 46 2HB ASP 46 -0.280 -7.529 -0.258 365 HB3 ASP 46 3HB ASP 46 0.571 -6.507 0.896 366 H THR 47 H THR 47 2.627 -7.722 2.083 367 HA THR 47 HA THR 47 1.738 -10.462 2.606 368 HB THR 47 HB THR 47 4.116 -10.363 4.001 369 HG1 THR 47 HG1 THR 47 5.088 -8.741 2.932 370 HG21 THR 47 3HG2 THR 47 3.232 -11.664 1.458 371 HG22 THR 47 1HG2 THR 47 3.562 -12.388 3.032 372 HG23 THR 47 2HG2 THR 47 4.897 -11.864 2.005 373 H TYR 48 H TYR 48 1.422 -7.413 3.434 374 HA TYR 48 HA TYR 48 1.847 -7.514 6.275 375 HB2 TYR 48 2HB TYR 48 0.683 -5.523 4.366 376 HB3 TYR 48 3HB TYR 48 0.377 -5.343 6.090 377 HD1 TYR 48 HD1 TYR 48 2.210 -4.847 7.635 378 HD2 TYR 48 HD2 TYR 48 2.881 -5.145 3.444 379 HE1 TYR 48 HE1 TYR 48 4.389 -3.740 7.911 380 HE2 TYR 48 HE2 TYR 48 5.063 -4.040 3.709 381 HH TYR 48 HH TYR 48 6.160 -2.877 6.876 382 H ASN 49 H ASN 49 -0.948 -7.688 4.107 383 HA ASN 49 HA ASN 49 -2.687 -8.277 6.387 384 HB2 ASN 49 2HB ASN 49 -3.390 -6.575 4.691 385 HB3 ASN 49 3HB ASN 49 -3.456 -7.862 3.491 386 HD21 ASN 49 2HD2 ASN 49 -6.747 -8.503 4.253 387 HD22 ASN 49 1HD2 ASN 49 -5.493 -8.301 3.081 388 H ASN 50 H ASN 50 -0.655 -10.035 4.728 389 HA ASN 50 HA ASN 50 -0.440 -12.268 4.334 390 HB2 ASN 50 2HB ASN 50 -1.418 -13.271 6.091 391 HB3 ASN 50 3HB ASN 50 -2.728 -12.095 6.128 392 HD21 ASN 50 2HD2 ASN 50 -4.970 -14.042 4.261 393 HD22 ASN 50 1HD2 ASN 50 -4.552 -12.445 4.769 394 H ALA 51 H ALA 51 -2.396 -10.260 2.763 395 HA ALA 51 HA ALA 51 -3.984 -12.007 1.168 396 HB1 ALA 51 1HB ALA 51 -4.907 -10.099 0.515 397 HB2 ALA 51 2HB ALA 51 -3.736 -9.235 1.513 398 HB3 ALA 51 3HB ALA 51 -3.385 -9.551 -0.186 399 H VAL 52 H VAL 52 -3.622 -12.828 -0.863 400 HA VAL 52 HA VAL 52 -0.849 -13.167 -1.612 401 HB VAL 52 HB VAL 52 -1.624 -14.767 -3.229 402 HG11 VAL 52 1HG1 VAL 52 -1.815 -15.125 -0.601 403 HG12 VAL 52 2HG1 VAL 52 -3.514 -15.354 -1.021 404 HG13 VAL 52 3HG1 VAL 52 -2.277 -16.373 -1.758 405 HG21 VAL 52 3HG2 VAL 52 -4.064 -15.172 -3.545 406 HG22 VAL 52 1HG2 VAL 52 -4.377 -13.697 -2.631 407 HG23 VAL 52 2HG2 VAL 52 -3.508 -13.616 -4.163 408 H ASP 53 H ASP 53 -0.067 -12.807 -3.786 409 HA ASP 53 HA ASP 53 -1.000 -10.268 -4.834 410 HB2 ASP 53 2HB ASP 53 1.015 -10.299 -6.191 411 HB3 ASP 53 3HB ASP 53 1.420 -10.705 -4.526 412 H CYS 54 H CYS 54 -2.860 -10.554 -5.965 413 HA CYS 54 HA CYS 54 -2.652 -11.783 -8.554 414 HB2 CYS 54 2HB CYS 54 -4.182 -13.083 -6.352 415 HB3 CYS 54 3HB CYS 54 -4.904 -13.079 -7.958 416 H ASP 55 H ASP 55 -3.633 -10.431 -9.890 417 HA ASP 55 HA ASP 55 -6.256 -9.594 -9.786 418 HB2 ASP 55 2HB ASP 55 -4.521 -8.032 -8.043 419 HB3 ASP 55 3HB ASP 55 -5.328 -7.032 -9.248
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