NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617880 | 5lg7 | 25248 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 24.233 -32.499 3.183 2 H2 MET 1 H2 MET 1 25.217 -33.766 3.535 3 H3 MET 1 H3 MET 1 25.453 -32.895 2.157 4 HA MET 1 HA MET 1 24.453 -35.043 1.758 5 HB2 MET 1 3HB MET 1 22.406 -33.938 3.630 6 HB3 MET 1 2HB MET 1 21.869 -34.990 2.296 7 HG2 MET 1 2HG MET 1 24.191 -35.903 3.952 8 HG3 MET 1 3HG MET 1 22.574 -35.957 4.651 9 HE1 MET 1 1HE MET 1 24.822 -37.254 1.652 10 HE2 MET 1 2HE MET 1 23.414 -36.632 0.744 11 HE3 MET 1 3HE MET 1 23.708 -38.376 0.845 12 H LYS 2 H LYS 2 22.569 -32.043 -0.236 13 HA LYS 2 HA LYS 2 22.552 -31.749 2.684 14 HB2 LYS 2 2HB LYS 2 20.647 -33.216 2.445 15 HB3 LYS 2 3HB LYS 2 20.147 -31.602 2.811 16 HG2 LYS 2 3HG LYS 2 18.705 -32.949 1.278 17 HG3 LYS 2 2HG LYS 2 19.047 -31.316 0.810 18 HD2 LYS 2 3HD LYS 2 18.981 -32.646 -1.134 19 HD3 LYS 2 2HD LYS 2 20.659 -32.209 -0.950 20 HE2 LYS 2 2HE LYS 2 21.111 -34.475 0.032 21 HE3 LYS 2 3HE LYS 2 19.407 -34.883 -0.232 22 HZ1 LYS 2 1HZ LYS 2 20.744 -35.652 -2.056 23 HZ2 LYS 2 2HZ LYS 2 19.775 -34.438 -2.598 24 HZ3 LYS 2 3HZ LYS 2 21.374 -34.160 -2.318 25 H GLN 3 H GLN 3 20.693 -30.589 -0.099 26 HA GLN 3 HA GLN 3 20.766 -27.891 0.805 27 HB2 GLN 3 3HB GLN 3 22.798 -28.451 -0.961 28 HB3 GLN 3 2HB GLN 3 21.477 -28.311 -2.111 29 HG2 GLN 3 3HG GLN 3 21.007 -26.034 -0.777 30 HG3 GLN 3 2HG GLN 3 22.632 -26.261 -0.207 31 HE21 GLN 3 1HE2 GLN 3 21.005 -26.512 -3.624 32 HE22 GLN 3 2HE2 GLN 3 22.252 -25.482 -4.244 33 H ASP 4 H ASP 4 18.593 -27.114 0.084 34 HA ASP 4 HA ASP 4 19.574 -27.276 -2.364 35 HB2 ASP 4 2HB ASP 4 17.218 -28.442 -2.744 36 HB3 ASP 4 3HB ASP 4 16.676 -26.758 -2.835 37 H GLY 5 H GLY 5 19.478 -25.141 -3.398 38 HA2 GLY 5 2HA GLY 5 19.565 -23.112 -1.209 39 HA3 GLY 5 3HA GLY 5 20.618 -23.154 -2.662 40 H GLU 6 H GLU 6 17.596 -22.008 -1.385 41 HA GLU 6 HA GLU 6 16.176 -22.571 -3.891 42 HB2 GLU 6 2HB GLU 6 16.122 -24.450 -2.344 43 HB3 GLU 6 3HB GLU 6 15.715 -23.392 -0.986 44 HG2 GLU 6 2HG GLU 6 13.536 -22.869 -2.053 45 HG3 GLU 6 3HG GLU 6 13.957 -23.910 -3.423 46 H GLU 7 H GLU 7 14.314 -21.364 -4.136 47 HA GLU 7 HA GLU 7 14.024 -18.926 -2.519 48 HB2 GLU 7 2HB GLU 7 14.971 -19.217 -5.390 49 HB3 GLU 7 3HB GLU 7 13.915 -17.861 -4.996 50 HG2 GLU 7 2HG GLU 7 15.454 -17.012 -3.346 51 HG3 GLU 7 3HG GLU 7 16.507 -18.426 -3.517 52 H GLY 8 H GLY 8 11.978 -17.791 -3.395 53 HA2 GLY 8 2HA GLY 8 9.988 -19.603 -4.630 54 HA3 GLY 8 3HA GLY 8 9.836 -17.842 -4.384 55 H THR 9 H THR 9 11.530 -16.544 -5.499 56 HA THR 9 HA THR 9 13.086 -16.427 -7.460 57 HB THR 9 HB THR 9 12.205 -18.276 -8.748 58 HG1 THR 9 1HG THR 9 12.111 -17.183 -10.676 59 HG21 THR 9 1HG2 THR 9 9.884 -17.172 -9.989 60 HG22 THR 9 2HG2 THR 9 10.003 -18.648 -9.035 61 HG23 THR 9 3HG2 THR 9 9.603 -17.121 -8.230 62 H GLU 10 H GLU 10 10.928 -15.072 -9.283 63 HA GLU 10 HA GLU 10 9.905 -12.825 -9.001 64 HB2 GLU 10 2HB GLU 10 8.764 -15.300 -9.522 65 HB3 GLU 10 3HB GLU 10 7.722 -14.726 -8.252 66 HG2 GLU 10 2HG GLU 10 6.708 -13.965 -10.198 67 HG3 GLU 10 3HG GLU 10 7.594 -12.523 -9.662 68 H GLU 11 H GLU 11 10.604 -11.589 -7.130 69 HA GLU 11 HA GLU 11 8.500 -11.586 -5.090 70 HB2 GLU 11 2HB GLU 11 10.400 -13.153 -4.264 71 HB3 GLU 11 3HB GLU 11 11.380 -11.694 -4.116 72 HG2 GLU 11 2HG GLU 11 9.049 -10.893 -2.878 73 HG3 GLU 11 3HG GLU 11 8.982 -12.616 -2.554 74 H ASP 12 H ASP 12 8.360 -9.653 -6.771 75 HA ASP 12 HA ASP 12 9.845 -7.361 -5.591 76 HB2 ASP 12 2HB ASP 12 10.968 -7.982 -7.698 77 HB3 ASP 12 3HB ASP 12 9.427 -7.836 -8.562 78 H THR 13 H THR 13 8.442 -5.927 -4.902 79 HA THR 13 HA THR 13 6.370 -5.160 -4.204 80 HB THR 13 HB THR 13 6.486 -4.437 -7.154 81 HG1 THR 13 1HG THR 13 8.502 -4.132 -6.321 82 HG21 THR 13 1HG2 THR 13 4.544 -3.385 -6.055 83 HG22 THR 13 2HG2 THR 13 5.818 -2.180 -6.264 84 HG23 THR 13 3HG2 THR 13 5.556 -2.914 -4.668 85 H GLU 14 H GLU 14 6.018 -7.970 -4.841 86 HA GLU 14 HA GLU 14 3.638 -8.174 -6.470 87 HB2 GLU 14 2HB GLU 14 5.630 -9.786 -6.355 88 HB3 GLU 14 3HB GLU 14 5.003 -10.329 -4.808 89 HG2 GLU 14 2HG GLU 14 3.830 -11.838 -6.033 90 HG3 GLU 14 3HG GLU 14 2.723 -10.504 -6.352 91 H GLU 15 H GLU 15 4.349 -9.257 -3.077 92 HA GLU 15 HA GLU 15 1.661 -8.341 -2.263 93 HB2 GLU 15 2HB GLU 15 2.009 -10.950 -3.066 94 HB3 GLU 15 3HB GLU 15 2.355 -11.107 -1.351 95 HG2 GLU 15 2HG GLU 15 0.168 -9.842 -0.922 96 HG3 GLU 15 3HG GLU 15 -0.137 -9.919 -2.653 97 H LYS 16 H LYS 16 3.592 -6.802 -1.551 98 HA LYS 16 HA LYS 16 4.626 -7.746 1.091 99 HB2 LYS 16 2HB LYS 16 6.188 -6.169 -0.999 100 HB3 LYS 16 3HB LYS 16 6.752 -6.687 0.602 101 HG2 LYS 16 2HG LYS 16 6.124 -9.074 -0.151 102 HG3 LYS 16 3HG LYS 16 6.056 -8.443 -1.793 103 HD2 LYS 16 2HD LYS 16 8.525 -8.164 -0.027 104 HD3 LYS 16 3HD LYS 16 8.202 -9.594 -1.015 105 HE2 LYS 16 2HE LYS 16 8.070 -8.155 -3.037 106 HE3 LYS 16 3HE LYS 16 8.543 -6.760 -2.048 107 HZ1 LYS 16 1HZ LYS 16 10.572 -8.195 -1.466 108 HZ2 LYS 16 2HZ LYS 16 10.113 -9.199 -2.585 109 HZ3 LYS 16 3HZ LYS 16 10.509 -7.732 -3.085 110 H CYS 17 H CYS 17 3.903 -6.503 2.685 111 HA CYS 17 HA CYS 17 2.674 -3.815 2.337 112 HB2 CYS 17 2HB CYS 17 1.820 -5.590 3.857 113 HB3 CYS 17 3HB CYS 17 3.333 -5.539 4.748 114 H THR 18 H THR 18 4.303 -2.307 1.718 115 HA THR 18 HA THR 18 6.889 -2.400 3.143 116 HB THR 18 HB THR 18 7.389 -0.450 1.657 117 HG1 THR 18 1HG THR 18 5.882 0.149 0.188 118 HG21 THR 18 1HG2 THR 18 6.267 -2.865 0.160 119 HG22 THR 18 2HG2 THR 18 7.495 -1.724 -0.425 120 HG23 THR 18 3HG2 THR 18 7.866 -2.801 0.935 121 H ILE 19 H ILE 19 4.101 -1.753 4.368 122 HA ILE 19 HA ILE 19 4.696 0.907 5.506 123 HB ILE 19 HB ILE 19 2.185 -0.782 5.665 124 HG12 ILE 19 2HG1 ILE 19 3.225 1.120 3.584 125 HG13 ILE 19 3HG1 ILE 19 2.227 -0.351 3.424 126 HG21 ILE 19 1HG2 ILE 19 2.494 0.785 7.523 127 HG22 ILE 19 2HG2 ILE 19 2.898 2.077 6.391 128 HG23 ILE 19 3HG2 ILE 19 1.248 1.423 6.452 129 HD11 ILE 19 1HD1 ILE 19 0.327 0.828 4.271 130 HD12 ILE 19 2HD1 ILE 19 1.289 2.342 4.354 131 HD13 ILE 19 3HD1 ILE 19 0.984 1.549 2.785 132 H CYS 20 H CYS 20 3.518 -2.367 6.487 133 HA CYS 20 HA CYS 20 4.693 -2.141 9.221 134 HB2 CYS 20 2HB CYS 20 3.542 -4.272 9.519 135 HB3 CYS 20 3HB CYS 20 2.434 -3.005 8.980 136 H LEU 21 H LEU 21 6.110 -2.530 6.344 137 HA LEU 21 HA LEU 21 7.913 -3.640 5.536 138 HB2 LEU 21 2HB LEU 21 8.590 -3.514 8.498 139 HB3 LEU 21 3HB LEU 21 9.767 -3.811 7.221 140 HG LEU 21 HG LEU 21 8.071 -1.277 7.345 141 HD11 LEU 21 1HD1 LEU 21 10.894 -1.780 8.371 142 HD12 LEU 21 2HD1 LEU 21 10.091 -0.195 8.266 143 HD13 LEU 21 3HD1 LEU 21 9.457 -1.435 9.358 144 HD21 LEU 21 1HD2 LEU 21 10.611 -2.013 5.819 145 HD22 LEU 21 2HD2 LEU 21 8.997 -1.762 5.112 146 HD23 LEU 21 3HD2 LEU 21 9.857 -0.405 5.847 147 H SER 22 H SER 22 5.891 -5.493 5.593 148 HA SER 22 HA SER 22 7.488 -7.897 6.075 149 HB2 SER 22 2HB SER 22 5.368 -8.946 7.205 150 HB3 SER 22 3HB SER 22 6.552 -8.042 8.158 151 HG SER 22 HG SER 22 5.206 -6.239 8.072 152 H ILE 23 H ILE 23 6.769 -9.724 4.935 153 HA ILE 23 HA ILE 23 5.316 -9.098 2.495 154 HB ILE 23 HB ILE 23 6.695 -11.559 3.606 155 HG12 ILE 23 2HG1 ILE 23 8.537 -11.172 2.200 156 HG13 ILE 23 3HG1 ILE 23 7.712 -9.909 1.301 157 HG21 ILE 23 1HG2 ILE 23 5.124 -12.278 1.985 158 HG22 ILE 23 2HG2 ILE 23 5.600 -11.031 0.815 159 HG23 ILE 23 3HG2 ILE 23 6.702 -12.365 1.223 160 HD11 ILE 23 1HD1 ILE 23 8.726 -9.593 4.140 161 HD12 ILE 23 2HD1 ILE 23 9.584 -9.098 2.670 162 HD13 ILE 23 3HD1 ILE 23 8.062 -8.311 3.068 163 H LEU 24 H LEU 24 3.498 -10.543 1.839 164 HA LEU 24 HA LEU 24 1.706 -11.081 4.130 165 HB2 LEU 24 2HB LEU 24 1.184 -10.461 1.190 166 HB3 LEU 24 3HB LEU 24 -0.060 -10.673 2.429 167 HG LEU 24 HG LEU 24 2.132 -8.521 2.411 168 HD11 LEU 24 1HD1 LEU 24 0.586 -8.326 0.580 169 HD12 LEU 24 2HD1 LEU 24 -0.800 -8.421 1.683 170 HD13 LEU 24 3HD1 LEU 24 0.317 -7.017 1.751 171 HD21 LEU 24 1HD2 LEU 24 1.433 -8.981 4.678 172 HD22 LEU 24 2HD2 LEU 24 0.696 -7.459 4.154 173 HD23 LEU 24 3HD2 LEU 24 -0.284 -8.935 4.209 174 H GLU 25 H GLU 25 1.196 -12.382 0.908 175 HA GLU 25 HA GLU 25 1.092 -14.331 -0.005 176 HB2 GLU 25 2HB GLU 25 2.774 -16.144 1.430 177 HB3 GLU 25 3HB GLU 25 2.876 -15.508 -0.196 178 HG2 GLU 25 2HG GLU 25 4.110 -13.569 0.588 179 HG3 GLU 25 3HG GLU 25 4.007 -14.156 2.271 180 H GLU 26 H GLU 26 -0.961 -14.309 0.638 181 HA GLU 26 HA GLU 26 -2.469 -16.201 0.582 182 HB2 GLU 26 2HB GLU 26 -1.462 -16.807 3.385 183 HB3 GLU 26 3HB GLU 26 -2.999 -17.318 2.764 184 HG2 GLU 26 2HG GLU 26 -1.787 -18.426 0.811 185 HG3 GLU 26 3HG GLU 26 -0.311 -18.277 1.769 186 H GLY 27 H GLY 27 -4.390 -15.363 0.691 187 HA2 GLY 27 2HA GLY 27 -6.368 -14.633 1.531 188 HA3 GLY 27 3HA GLY 27 -5.693 -15.154 3.074 189 H GLU 28 H GLU 28 -3.658 -12.640 2.342 190 HA GLU 28 HA GLU 28 -4.955 -11.011 4.271 191 HB2 GLU 28 2HB GLU 28 -2.568 -10.728 2.442 192 HB3 GLU 28 3HB GLU 28 -3.077 -9.345 3.396 193 HG2 GLU 28 2HG GLU 28 -2.679 -12.050 4.737 194 HG3 GLU 28 3HG GLU 28 -1.318 -10.962 4.451 195 H ASP 29 H ASP 29 -5.850 -9.022 4.112 196 HA ASP 29 HA ASP 29 -7.288 -8.419 1.595 197 HB2 ASP 29 2HB ASP 29 -7.162 -7.127 4.340 198 HB3 ASP 29 3HB ASP 29 -7.649 -6.173 2.939 199 H VAL 30 H VAL 30 -6.067 -7.639 -0.037 200 HA VAL 30 HA VAL 30 -3.948 -5.639 0.614 201 HB VAL 30 HB VAL 30 -3.230 -5.991 -1.756 202 HG11 VAL 30 1HG1 VAL 30 -2.016 -8.086 -1.271 203 HG12 VAL 30 2HG1 VAL 30 -2.047 -7.003 0.134 204 HG13 VAL 30 3HG1 VAL 30 -3.121 -8.421 0.080 205 HG21 VAL 30 1HG2 VAL 30 -3.869 -8.005 -2.954 206 HG22 VAL 30 2HG2 VAL 30 -4.951 -8.511 -1.649 207 HG23 VAL 30 3HG2 VAL 30 -5.334 -7.067 -2.619 208 H ARG 31 H ARG 31 -4.051 -3.623 -0.495 209 HA ARG 31 HA ARG 31 -6.472 -3.160 -2.105 210 HB2 ARG 31 2HB ARG 31 -6.865 -2.413 0.311 211 HB3 ARG 31 3HB ARG 31 -5.584 -1.211 0.070 212 HG2 ARG 31 2HG ARG 31 -6.871 -0.203 -1.793 213 HG3 ARG 31 3HG ARG 31 -8.088 -1.492 -1.653 214 HD2 ARG 31 2HD ARG 31 -8.502 -0.768 0.710 215 HD3 ARG 31 3HD ARG 31 -7.448 0.636 0.429 216 HE ARG 31 HE ARG 31 -9.169 0.862 -1.622 217 HH11 ARG 31 1HH1 ARG 31 -11.284 1.812 -1.650 218 HH12 ARG 31 2HH1 ARG 31 -12.208 1.915 -0.198 219 HH21 ARG 31 1HH2 ARG 31 -11.342 1.040 1.828 220 HH22 ARG 31 2HH2 ARG 31 -9.799 0.285 1.823 221 H ARG 32 H ARG 32 -5.905 -1.927 -3.913 222 HA ARG 32 HA ARG 32 -3.120 -0.903 -3.892 223 HB2 ARG 32 2HB ARG 32 -3.078 -1.100 -6.339 224 HB3 ARG 32 3HB ARG 32 -3.179 -2.633 -5.480 225 HG2 ARG 32 2HG ARG 32 -4.637 -3.051 -7.144 226 HG3 ARG 32 3HG ARG 32 -5.782 -2.432 -5.955 227 HD2 ARG 32 2HD ARG 32 -5.667 -0.194 -7.089 228 HD3 ARG 32 3HD ARG 32 -4.512 -0.871 -8.250 229 HE ARG 32 HE ARG 32 -6.772 -2.535 -8.247 230 HH11 ARG 32 1HH1 ARG 32 -8.589 -0.884 -10.778 231 HH12 ARG 32 2HH1 ARG 32 -8.403 -2.351 -9.892 232 HH21 ARG 32 1HH2 ARG 32 -7.149 0.966 -10.307 233 HH22 ARG 32 2HH2 ARG 32 -5.962 0.788 -9.061 234 H LEU 33 H LEU 33 -2.808 1.124 -4.114 235 HA LEU 33 HA LEU 33 -4.860 3.048 -4.001 236 HB2 LEU 33 2HB LEU 33 -1.909 3.248 -4.811 237 HB3 LEU 33 3HB LEU 33 -2.913 4.570 -4.252 238 HG LEU 33 HG LEU 33 -1.898 2.184 -2.656 239 HD11 LEU 33 1HD1 LEU 33 -0.930 3.949 -1.222 240 HD12 LEU 33 2HD1 LEU 33 -0.311 3.975 -2.886 241 HD13 LEU 33 3HD1 LEU 33 -1.494 5.172 -2.372 242 HD21 LEU 33 1HD2 LEU 33 -4.259 3.940 -2.063 243 HD22 LEU 33 2HD2 LEU 33 -3.166 3.533 -0.742 244 HD23 LEU 33 3HD2 LEU 33 -3.959 2.248 -1.676 245 HA PRO 34 HA PRO 34 -5.621 3.756 -8.348 246 HB2 PRO 34 2HB PRO 34 -5.812 6.507 -8.462 247 HB3 PRO 34 3HB PRO 34 -7.092 5.440 -7.804 248 HG2 PRO 34 2HG PRO 34 -4.943 6.932 -6.273 249 HG3 PRO 34 3HG PRO 34 -6.701 6.848 -5.923 250 HD2 PRO 34 2HD PRO 34 -4.955 5.266 -4.617 251 HD3 PRO 34 3HD PRO 34 -6.540 4.629 -5.136 252 H CYS 35 H CYS 35 -2.828 5.079 -6.625 253 HA CYS 35 HA CYS 35 -1.487 6.123 -9.069 254 HB2 CYS 35 2HB CYS 35 -0.024 7.026 -7.589 255 HB3 CYS 35 3HB CYS 35 -1.512 7.117 -6.663 256 H MET 36 H MET 36 -2.222 3.228 -8.912 257 HA MET 36 HA MET 36 -1.496 1.170 -8.660 258 HB2 MET 36 2HB MET 36 0.742 2.205 -10.456 259 HB3 MET 36 3HB MET 36 0.311 0.505 -10.211 260 HG2 MET 36 2HG MET 36 -2.040 1.121 -11.011 261 HG3 MET 36 3HG MET 36 -1.353 2.671 -11.524 262 HE1 MET 36 1HE MET 36 -2.882 1.057 -13.541 263 HE2 MET 36 2HE MET 36 -1.896 2.417 -14.134 264 HE3 MET 36 3HE MET 36 -1.809 0.835 -14.943 265 H HIS 37 H HIS 37 -1.081 1.193 -6.394 266 HA HIS 37 HA HIS 37 1.618 0.183 -5.963 267 HB2 HIS 37 1HB HIS 37 0.642 2.729 -4.694 268 HB3 HIS 37 2HB HIS 37 1.387 1.547 -3.622 269 HD2 HIS 37 2HD HIS 37 3.921 0.805 -4.062 270 HE1 HIS 37 1HE HIS 37 4.914 3.935 -6.774 271 HE2 HIS 37 2HE HIS 37 5.856 2.033 -5.345 272 H LEU 38 H LEU 38 1.213 -1.811 -4.954 273 HA LEU 38 HA LEU 38 -1.425 -2.109 -3.637 274 HB2 LEU 38 2HB LEU 38 -1.604 -4.042 -4.417 275 HB3 LEU 38 3HB LEU 38 -0.202 -3.784 -5.429 276 HG LEU 38 HG LEU 38 0.128 -4.859 -2.582 277 HD11 LEU 38 1HD1 LEU 38 -0.634 -6.415 -5.057 278 HD12 LEU 38 2HD1 LEU 38 -0.144 -7.100 -3.490 279 HD13 LEU 38 3HD1 LEU 38 -1.633 -6.139 -3.608 280 HD21 LEU 38 1HD2 LEU 38 2.145 -5.799 -3.557 281 HD22 LEU 38 2HD2 LEU 38 1.635 -5.337 -5.190 282 HD23 LEU 38 3HD2 LEU 38 2.078 -4.082 -4.016 283 H PHE 39 H PHE 39 -1.627 -2.317 -1.498 284 HA PHE 39 HA PHE 39 0.714 -2.993 0.118 285 HB2 PHE 39 2HB PHE 39 -1.051 -0.576 0.676 286 HB3 PHE 39 3HB PHE 39 0.234 -1.163 1.726 287 HD1 PHE 39 1HD PHE 39 -0.403 1.576 0.007 288 HD2 PHE 39 2HD PHE 39 2.521 -1.590 -0.102 289 HE1 PHE 39 1HE PHE 39 1.250 3.123 -1.013 290 HE2 PHE 39 2HE PHE 39 4.107 -0.083 -1.217 291 HZ PHE 39 HZ PHE 39 3.501 2.298 -1.645 292 H HIS 40 H HIS 40 -0.483 -2.822 2.536 293 HA HIS 40 HA HIS 40 -2.406 -5.044 2.534 294 HB2 HIS 40 1HB HIS 40 -0.210 -4.494 3.883 295 HB3 HIS 40 2HB HIS 40 -1.202 -3.404 4.810 296 HD2 HIS 40 2HD HIS 40 -3.197 -6.591 4.340 297 HE1 HIS 40 1HE HIS 40 -0.745 -7.212 7.772 298 HE2 HIS 40 2HE HIS 40 -2.715 -8.085 6.444 299 H GLN 41 H GLN 41 -4.676 -4.645 3.163 300 HA GLN 41 HA GLN 41 -5.640 -2.024 2.851 301 HB2 GLN 41 2HB GLN 41 -6.972 -4.099 2.526 302 HB3 GLN 41 3HB GLN 41 -7.050 -4.296 4.300 303 HG2 GLN 41 2HG GLN 41 -8.161 -2.061 4.470 304 HG3 GLN 41 3HG GLN 41 -7.994 -1.860 2.727 305 HE21 GLN 41 1HE2 GLN 41 -9.116 -5.007 4.326 306 HE22 GLN 41 2HE2 GLN 41 -10.673 -4.851 3.676 307 H VAL 42 H VAL 42 -4.870 -3.827 5.860 308 HA VAL 42 HA VAL 42 -5.895 -1.811 7.613 309 HB VAL 42 HB VAL 42 -3.682 -3.873 8.045 310 HG11 VAL 42 1HG1 VAL 42 -5.272 -2.213 10.056 311 HG12 VAL 42 2HG1 VAL 42 -4.216 -3.582 10.471 312 HG13 VAL 42 3HG1 VAL 42 -3.522 -2.118 9.763 313 HG21 VAL 42 1HG2 VAL 42 -5.857 -4.903 7.470 314 HG22 VAL 42 2HG2 VAL 42 -5.487 -5.156 9.177 315 HG23 VAL 42 3HG2 VAL 42 -6.662 -3.912 8.705 316 H CYS 43 H CYS 43 -2.476 -2.403 6.503 317 HA CYS 43 HA CYS 43 -1.521 -0.178 8.085 318 HB2 CYS 43 2HB CYS 43 -0.149 -1.570 5.782 319 HB3 CYS 43 3HB CYS 43 0.566 -0.707 7.171 320 H VAL 44 H VAL 44 -2.399 -0.473 4.606 321 HA VAL 44 HA VAL 44 -1.468 2.080 3.891 322 HB VAL 44 HB VAL 44 -2.344 0.279 2.356 323 HG11 VAL 44 1HG1 VAL 44 -5.061 1.579 2.856 324 HG12 VAL 44 2HG1 VAL 44 -4.666 0.352 1.636 325 HG13 VAL 44 3HG1 VAL 44 -4.580 -0.053 3.350 326 HG21 VAL 44 1HG2 VAL 44 -2.958 1.813 0.641 327 HG22 VAL 44 2HG2 VAL 44 -3.411 3.069 1.823 328 HG23 VAL 44 3HG2 VAL 44 -1.711 2.583 1.642 329 H ASP 45 H ASP 45 -4.568 1.058 5.477 330 HA ASP 45 HA ASP 45 -5.381 3.850 5.832 331 HB2 ASP 45 2HB ASP 45 -6.933 1.861 5.378 332 HB3 ASP 45 3HB ASP 45 -6.615 1.344 7.035 333 H GLN 46 H GLN 46 -2.837 3.264 6.882 334 HA GLN 46 HA GLN 46 -3.287 4.073 9.679 335 HB2 GLN 46 2HB GLN 46 -2.657 1.611 9.588 336 HB3 GLN 46 3HB GLN 46 -1.110 2.094 8.886 337 HG2 GLN 46 2HG GLN 46 -0.662 3.496 10.903 338 HG3 GLN 46 3HG GLN 46 -2.181 2.913 11.607 339 HE21 GLN 46 1HE2 GLN 46 -1.891 1.157 13.018 340 HE22 GLN 46 2HE2 GLN 46 -0.573 0.006 12.840 341 H ARG 47 H ARG 47 -0.619 3.459 7.325 342 HA ARG 47 HA ARG 47 0.745 5.889 7.991 343 HB2 ARG 47 2HB ARG 47 1.795 3.882 7.050 344 HB3 ARG 47 3HB ARG 47 0.997 4.188 5.501 345 HG2 ARG 47 2HG ARG 47 2.244 6.367 5.335 346 HG3 ARG 47 3HG ARG 47 3.011 6.008 6.901 347 HD2 ARG 47 2HD ARG 47 3.875 3.865 5.901 348 HD3 ARG 47 3HD ARG 47 3.259 4.397 4.320 349 HE ARG 47 HE ARG 47 4.887 6.447 5.302 350 HH11 ARG 47 1HH1 ARG 47 8.061 5.189 4.385 351 HH12 ARG 47 2HH1 ARG 47 7.187 6.580 4.913 352 HH21 ARG 47 1HH2 ARG 47 6.931 3.088 4.135 353 HH22 ARG 47 2HH2 ARG 47 5.240 3.042 4.391 354 H LEU 48 H LEU 48 -1.660 5.117 5.407 355 HA LEU 48 HA LEU 48 -1.377 7.904 4.436 356 HB2 LEU 48 2HB LEU 48 -2.883 5.558 3.213 357 HB3 LEU 48 3HB LEU 48 -2.808 7.169 2.559 358 HG LEU 48 HG LEU 48 -1.379 5.776 1.308 359 HD11 LEU 48 1HD1 LEU 48 -0.652 8.113 1.650 360 HD12 LEU 48 2HD1 LEU 48 0.344 7.605 3.029 361 HD13 LEU 48 3HD1 LEU 48 0.719 7.018 1.395 362 HD21 LEU 48 1HD2 LEU 48 0.475 5.287 3.628 363 HD22 LEU 48 2HD2 LEU 48 -0.862 4.172 3.264 364 HD23 LEU 48 3HD2 LEU 48 0.402 4.477 2.055 365 H ILE 49 H ILE 49 -2.711 7.221 7.093 366 HA ILE 49 HA ILE 49 -5.477 8.048 6.575 367 HB ILE 49 HB ILE 49 -3.775 8.236 9.105 368 HG12 ILE 49 2HG1 ILE 49 -5.998 6.267 8.385 369 HG13 ILE 49 3HG1 ILE 49 -4.278 5.905 8.305 370 HG21 ILE 49 1HG2 ILE 49 -5.655 9.912 9.032 371 HG22 ILE 49 2HG2 ILE 49 -6.791 8.576 8.749 372 HG23 ILE 49 3HG2 ILE 49 -5.891 8.701 10.276 373 HD11 ILE 49 1HD1 ILE 49 -5.847 6.595 10.825 374 HD12 ILE 49 2HD1 ILE 49 -5.136 5.046 10.402 375 HD13 ILE 49 3HD1 ILE 49 -4.074 6.423 10.759 376 H THR 50 H THR 50 -2.574 9.653 7.944 377 HA THR 50 HA THR 50 -3.716 12.266 7.479 378 HB THR 50 HB THR 50 -1.080 11.325 8.681 379 HG1 THR 50 1HG THR 50 -2.371 11.610 10.615 380 HG21 THR 50 1HG2 THR 50 -2.532 13.995 8.887 381 HG22 THR 50 2HG2 THR 50 -1.292 13.459 10.047 382 HG23 THR 50 3HG2 THR 50 -0.859 13.701 8.357 383 H ASN 51 H ASN 51 -2.240 10.325 5.237 384 HA ASN 51 HA ASN 51 -1.202 12.642 3.771 385 HB2 ASN 51 2HB ASN 51 0.767 11.730 5.039 386 HB3 ASN 51 3HB ASN 51 0.496 10.155 4.262 387 HD21 ASN 51 1HD2 ASN 51 2.853 10.679 3.551 388 HD22 ASN 51 2HD2 ASN 51 2.986 11.587 2.053 389 H LYS 52 H LYS 52 -1.299 12.190 1.437 390 HA LYS 52 HA LYS 52 -2.633 9.692 0.658 391 HB2 LYS 52 2HB LYS 52 -4.697 11.062 -0.058 392 HB3 LYS 52 3HB LYS 52 -4.521 10.593 1.625 393 HG2 LYS 52 2HG LYS 52 -3.767 12.850 2.240 394 HG3 LYS 52 3HG LYS 52 -3.870 13.376 0.544 395 HD2 LYS 52 2HD LYS 52 -6.213 13.269 0.539 396 HD3 LYS 52 3HD LYS 52 -6.255 12.075 1.855 397 HE2 LYS 52 2HE LYS 52 -5.495 13.842 3.442 398 HE3 LYS 52 3HE LYS 52 -5.661 15.037 2.135 399 HZ1 LYS 52 1HZ LYS 52 -7.680 14.871 3.531 400 HZ2 LYS 52 2HZ LYS 52 -7.996 14.406 1.969 401 HZ3 LYS 52 3HZ LYS 52 -7.851 13.283 3.088 402 H LYS 53 H LYS 53 -0.350 10.283 -0.360 403 HA LYS 53 HA LYS 53 -0.909 11.054 -3.084 404 HB2 LYS 53 2HB LYS 53 1.082 12.713 -3.086 405 HB3 LYS 53 3HB LYS 53 -0.529 13.251 -2.615 406 HG2 LYS 53 2HG LYS 53 0.043 13.069 -0.237 407 HG3 LYS 53 3HG LYS 53 1.684 12.523 -0.642 408 HD2 LYS 53 2HD LYS 53 0.475 15.172 -1.545 409 HD3 LYS 53 3HD LYS 53 1.368 14.975 -0.025 410 HE2 LYS 53 2HE LYS 53 3.359 14.215 -1.240 411 HE3 LYS 53 3HE LYS 53 2.499 14.344 -2.784 412 HZ1 LYS 53 1HZ LYS 53 2.280 16.697 -2.415 413 HZ2 LYS 53 2HZ LYS 53 3.022 16.598 -0.951 414 HZ3 LYS 53 3HZ LYS 53 3.873 16.281 -2.323 415 H CYS 54 H CYS 54 0.362 9.743 -4.375 416 HA CYS 54 HA CYS 54 2.200 7.784 -3.235 417 HB2 CYS 54 2HB CYS 54 1.054 8.423 -5.864 418 HB3 CYS 54 3HB CYS 54 2.787 8.104 -5.944 419 HA PRO 55 HA PRO 55 5.495 10.765 -2.888 420 HB2 PRO 55 2HB PRO 55 7.585 9.135 -2.214 421 HB3 PRO 55 3HB PRO 55 6.206 9.428 -1.106 422 HG2 PRO 55 2HG PRO 55 6.579 7.100 -3.025 423 HG3 PRO 55 3HG PRO 55 6.188 7.030 -1.274 424 HD2 PRO 55 2HD PRO 55 4.246 6.882 -3.163 425 HD3 PRO 55 3HD PRO 55 3.975 7.807 -1.651 426 H ILE 56 H ILE 56 5.394 8.338 -5.300 427 HA ILE 56 HA ILE 56 7.592 9.699 -6.756 428 HB ILE 56 HB ILE 56 7.136 6.875 -6.054 429 HG12 ILE 56 3HG1 ILE 56 9.118 8.328 -7.322 430 HG13 ILE 56 2HG1 ILE 56 9.065 6.702 -6.104 431 HG21 ILE 56 1HG2 ILE 56 7.846 7.408 -8.961 432 HG22 ILE 56 2HG2 ILE 56 8.098 5.871 -8.108 433 HG23 ILE 56 3HG2 ILE 56 6.465 6.491 -8.320 434 HD11 ILE 56 1HD1 ILE 56 11.082 8.191 -7.229 435 HD12 ILE 56 2HD1 ILE 56 11.068 6.853 -6.096 436 HD13 ILE 56 3HD1 ILE 56 10.415 6.624 -7.734 437 H CYS 57 H CYS 57 4.579 7.802 -7.120 438 HA CYS 57 HA CYS 57 4.122 8.354 -9.888 439 HB2 CYS 57 2HB CYS 57 1.840 8.042 -8.011 440 HB3 CYS 57 3HB CYS 57 2.124 7.286 -9.569 441 H ARG 58 H ARG 58 3.579 10.324 -7.006 442 HA ARG 58 HA ARG 58 2.671 12.344 -6.652 443 HB2 ARG 58 2HB ARG 58 4.559 12.771 -8.379 444 HB3 ARG 58 3HB ARG 58 3.257 13.021 -9.548 445 HG2 ARG 58 2HG ARG 58 2.292 14.727 -7.822 446 HG3 ARG 58 3HG ARG 58 3.855 14.564 -6.996 447 HD2 ARG 58 2HD ARG 58 4.943 15.122 -9.250 448 HD3 ARG 58 3HD ARG 58 3.310 15.526 -9.828 449 HE ARG 58 HE ARG 58 3.940 16.866 -7.361 450 HH11 ARG 58 1HH1 ARG 58 4.882 19.919 -8.856 451 HH12 ARG 58 2HH1 ARG 58 4.501 19.128 -7.373 452 HH21 ARG 58 1HH2 ARG 58 4.867 18.689 -10.890 453 HH22 ARG 58 2HH2 ARG 58 4.468 17.008 -10.838 454 H VAL 59 H VAL 59 0.724 10.644 -6.841 455 HA VAL 59 HA VAL 59 -1.442 12.083 -8.257 456 HB VAL 59 HB VAL 59 -0.772 9.124 -8.275 457 HG11 VAL 59 1HG1 VAL 59 -3.060 8.664 -9.169 458 HG12 VAL 59 2HG1 VAL 59 -3.078 9.136 -7.470 459 HG13 VAL 59 3HG1 VAL 59 -3.548 10.312 -8.718 460 HG21 VAL 59 1HG2 VAL 59 -1.760 11.046 -10.426 461 HG22 VAL 59 2HG2 VAL 59 -0.077 10.529 -10.198 462 HG23 VAL 59 3HG2 VAL 59 -1.306 9.345 -10.671 463 H ASP 60 H ASP 60 -3.299 12.266 -6.925 464 HA ASP 60 HA ASP 60 -2.781 11.915 -4.091 465 HB2 ASP 60 2HB ASP 60 -5.198 12.916 -5.634 466 HB3 ASP 60 3HB ASP 60 -5.098 12.838 -3.866 467 H ILE 61 H ILE 61 -3.519 10.333 -2.819 468 HA ILE 61 HA ILE 61 -4.341 7.857 -4.116 469 HB ILE 61 HB ILE 61 -3.572 8.567 -1.249 470 HG12 ILE 61 2HG1 ILE 61 -1.712 9.124 -2.548 471 HG13 ILE 61 3HG1 ILE 61 -1.346 7.542 -1.882 472 HG21 ILE 61 1HG2 ILE 61 -4.745 6.442 -1.350 473 HG22 ILE 61 2HG2 ILE 61 -3.675 5.907 -2.666 474 HG23 ILE 61 3HG2 ILE 61 -3.022 6.203 -1.020 475 HD11 ILE 61 1HD1 ILE 61 -0.682 7.624 -4.182 476 HD12 ILE 61 2HD1 ILE 61 -2.128 6.599 -4.120 477 HD13 ILE 61 3HD1 ILE 61 -2.242 8.269 -4.698 478 H GLU 62 H GLU 62 -5.504 10.133 -1.707 479 HA GLU 62 HA GLU 62 -8.145 8.894 -1.391 480 HB2 GLU 62 2HB GLU 62 -7.065 10.368 0.346 481 HB3 GLU 62 3HB GLU 62 -7.085 11.698 -0.826 482 HG2 GLU 62 2HG GLU 62 -9.596 11.470 -0.928 483 HG3 GLU 62 3HG GLU 62 -9.475 10.234 0.345 484 H ALA 63 H ALA 63 -9.637 9.113 -3.096 485 HA ALA 63 HA ALA 63 -8.900 10.926 -5.341 486 HB1 ALA 63 1HB ALA 63 -9.337 7.907 -5.439 487 HB2 ALA 63 2HB ALA 63 -9.245 8.976 -6.860 488 HB3 ALA 63 3HB ALA 63 -7.833 8.794 -5.798 489 H GLN 64 H GLN 64 -10.497 11.925 -4.065 490 HA GLN 64 HA GLN 64 -12.557 12.571 -3.416 491 HB2 GLN 64 2HB GLN 64 -13.711 11.481 -5.350 492 HB3 GLN 64 3HB GLN 64 -13.766 9.970 -4.445 493 HG2 GLN 64 2HG GLN 64 -14.787 12.374 -2.985 494 HG3 GLN 64 3HG GLN 64 -15.700 11.939 -4.424 495 HE21 GLN 64 1HE2 GLN 64 -17.013 11.877 -1.988 496 HE22 GLN 64 2HE2 GLN 64 -17.293 10.186 -1.587 497 H LEU 65 H LEU 65 -12.086 12.587 -1.342 498 HA LEU 65 HA LEU 65 -14.147 10.976 -0.418 499 HB2 LEU 65 2HB LEU 65 -11.628 10.313 0.794 500 HB3 LEU 65 3HB LEU 65 -12.517 11.287 1.958 501 HG LEU 65 HG LEU 65 -14.502 9.730 1.589 502 HD11 LEU 65 1HD1 LEU 65 -13.941 8.736 -0.562 503 HD12 LEU 65 2HD1 LEU 65 -12.444 8.060 0.109 504 HD13 LEU 65 3HD1 LEU 65 -14.030 7.481 0.672 505 HD21 LEU 65 1HD2 LEU 65 -11.956 8.408 2.593 506 HD22 LEU 65 2HD2 LEU 65 -12.958 9.538 3.528 507 HD23 LEU 65 3HD2 LEU 65 -13.628 7.977 3.028 508 HA PRO 66 HA PRO 66 -16.041 11.653 0.181 509 HB2 PRO 66 2HB PRO 66 -18.069 12.836 0.519 510 HB3 PRO 66 3HB PRO 66 -17.369 13.748 1.893 511 HG2 PRO 66 2HG PRO 66 -16.881 14.212 -1.057 512 HG3 PRO 66 3HG PRO 66 -17.323 15.419 0.201 513 HD2 PRO 66 2HD PRO 66 -14.753 15.101 -0.514 514 HD3 PRO 66 3HD PRO 66 -15.156 15.248 1.226 515 H SER 67 H SER 67 -14.420 13.102 2.812 516 HA SER 67 HA SER 67 -16.403 12.300 4.624 517 HB2 SER 67 2HB SER 67 -14.688 10.411 4.834 518 HB3 SER 67 3HB SER 67 -13.583 11.601 5.528 519 HG SER 67 HG SER 67 -15.235 11.943 7.198 520 H GLU 68 H GLU 68 -13.867 13.335 6.383 521 HA GLU 68 HA GLU 68 -14.461 15.962 6.946 522 HB2 GLU 68 2HB GLU 68 -16.906 14.274 6.398 523 HB3 GLU 68 3HB GLU 68 -16.868 15.019 7.972 524 HG2 GLU 68 2HG GLU 68 -16.295 16.701 5.522 525 HG3 GLU 68 3HG GLU 68 -17.946 16.339 6.048 526 H SER 69 H SER 69 -12.636 14.847 7.856 527 HA SER 69 HA SER 69 -13.525 16.521 9.313 528 HB2 SER 69 2HB SER 69 -13.538 16.047 11.689 529 HB3 SER 69 3HB SER 69 -14.701 14.986 10.880 530 HG SER 69 HG SER 69 -12.044 14.325 11.561 Start of MODEL 2 1 H1 MET 1 H1 MET 1 32.600 -28.708 -9.128 2 H2 MET 1 H2 MET 1 33.872 -29.420 -8.343 3 H3 MET 1 H3 MET 1 33.918 -27.818 -8.744 4 HA MET 1 HA MET 1 35.307 -28.998 -10.242 5 HB2 MET 1 2HB MET 1 32.800 -30.655 -10.693 6 HB3 MET 1 3HB MET 1 34.086 -30.525 -11.906 7 HG2 MET 1 2HG MET 1 35.740 -31.341 -10.283 8 HG3 MET 1 3HG MET 1 34.464 -31.535 -9.068 9 HE1 MET 1 1HE MET 1 35.482 -34.079 -8.855 10 HE2 MET 1 2HE MET 1 35.539 -35.205 -10.230 11 HE3 MET 1 3HE MET 1 36.596 -33.777 -10.213 12 H LYS 2 H LYS 2 32.004 -28.877 -11.688 13 HA LYS 2 HA LYS 2 32.725 -26.373 -13.051 14 HB2 LYS 2 2HB LYS 2 30.335 -28.276 -13.115 15 HB3 LYS 2 3HB LYS 2 30.239 -26.679 -13.843 16 HG2 LYS 2 2HG LYS 2 32.564 -28.422 -14.645 17 HG3 LYS 2 3HG LYS 2 30.956 -28.844 -15.237 18 HD2 LYS 2 2HD LYS 2 32.105 -27.432 -16.853 19 HD3 LYS 2 3HD LYS 2 30.658 -26.631 -16.224 20 HE2 LYS 2 2HE LYS 2 32.068 -25.293 -14.682 21 HE3 LYS 2 3HE LYS 2 33.519 -26.104 -15.302 22 HZ1 LYS 2 1HZ LYS 2 33.013 -25.160 -17.469 23 HZ2 LYS 2 2HZ LYS 2 31.677 -24.405 -16.869 24 HZ3 LYS 2 3HZ LYS 2 33.172 -23.972 -16.344 25 H GLN 3 H GLN 3 30.762 -24.801 -12.818 26 HA GLN 3 HA GLN 3 29.429 -24.596 -10.277 27 HB2 GLN 3 2HB GLN 3 31.654 -23.701 -9.678 28 HB3 GLN 3 3HB GLN 3 31.699 -22.758 -11.167 29 HG2 GLN 3 2HG GLN 3 31.212 -21.259 -9.358 30 HG3 GLN 3 3HG GLN 3 29.771 -21.377 -10.363 31 HE21 GLN 3 1HE2 GLN 3 29.792 -20.449 -7.597 32 HE22 GLN 3 2HE2 GLN 3 28.862 -21.640 -6.700 33 H ASP 4 H ASP 4 27.587 -23.390 -10.597 34 HA ASP 4 HA ASP 4 27.387 -21.971 -13.160 35 HB2 ASP 4 2HB ASP 4 26.523 -24.414 -13.328 36 HB3 ASP 4 3HB ASP 4 25.191 -23.882 -12.293 37 H GLY 5 H GLY 5 26.918 -20.062 -12.532 38 HA2 GLY 5 2HA GLY 5 25.775 -19.440 -9.895 39 HA3 GLY 5 3HA GLY 5 26.413 -18.277 -11.078 40 H GLU 6 H GLU 6 24.043 -17.691 -9.785 41 HA GLU 6 HA GLU 6 22.105 -17.739 -11.959 42 HB2 GLU 6 2HB GLU 6 21.914 -19.780 -10.135 43 HB3 GLU 6 3HB GLU 6 20.964 -18.541 -9.309 44 HG2 GLU 6 2HG GLU 6 19.573 -18.292 -11.391 45 HG3 GLU 6 3HG GLU 6 20.584 -19.500 -12.188 46 H GLU 7 H GLU 7 19.985 -16.556 -10.661 47 HA GLU 7 HA GLU 7 21.143 -13.950 -9.880 48 HB2 GLU 7 2HB GLU 7 18.348 -14.818 -10.750 49 HB3 GLU 7 3HB GLU 7 18.784 -13.163 -10.281 50 HG2 GLU 7 2HG GLU 7 20.488 -13.078 -12.065 51 HG3 GLU 7 3HG GLU 7 20.026 -14.704 -12.589 52 H GLY 8 H GLY 8 18.856 -13.020 -8.389 53 HA2 GLY 8 2HA GLY 8 19.387 -14.298 -5.800 54 HA3 GLY 8 3HA GLY 8 18.411 -12.848 -6.112 55 H THR 9 H THR 9 16.936 -14.086 -4.504 56 HA THR 9 HA THR 9 14.920 -15.505 -6.013 57 HB THR 9 HB THR 9 16.549 -17.294 -5.439 58 HG1 THR 9 1HG THR 9 15.014 -18.659 -4.737 59 HG21 THR 9 1HG2 THR 9 16.835 -18.012 -3.119 60 HG22 THR 9 2HG2 THR 9 17.403 -16.343 -3.304 61 HG23 THR 9 3HG2 THR 9 15.829 -16.667 -2.543 62 H GLU 10 H GLU 10 13.292 -16.269 -4.129 63 HA GLU 10 HA GLU 10 11.758 -15.680 -2.600 64 HB2 GLU 10 2HB GLU 10 13.771 -15.134 -1.150 65 HB3 GLU 10 3HB GLU 10 13.504 -13.428 -1.554 66 HG2 GLU 10 2HG GLU 10 11.304 -13.467 -0.529 67 HG3 GLU 10 3HG GLU 10 11.363 -15.227 -0.349 68 H GLU 11 H GLU 11 10.187 -13.828 -2.083 69 HA GLU 11 HA GLU 11 9.326 -12.840 -4.604 70 HB2 GLU 11 2HB GLU 11 8.048 -13.516 -2.340 71 HB3 GLU 11 3HB GLU 11 8.317 -11.827 -1.925 72 HG2 GLU 11 2HG GLU 11 6.208 -11.797 -2.922 73 HG3 GLU 11 3HG GLU 11 7.266 -11.293 -4.246 74 H ASP 12 H ASP 12 9.168 -10.564 -5.359 75 HA ASP 12 HA ASP 12 10.347 -8.578 -3.616 76 HB2 ASP 12 2HB ASP 12 12.305 -9.334 -4.948 77 HB3 ASP 12 3HB ASP 12 11.426 -8.887 -6.429 78 H THR 13 H THR 13 9.453 -6.627 -3.892 79 HA THR 13 HA THR 13 7.478 -5.416 -4.111 80 HB THR 13 HB THR 13 8.832 -5.258 -6.826 81 HG1 THR 13 1HG THR 13 10.396 -5.208 -5.170 82 HG21 THR 13 1HG2 THR 13 6.875 -3.726 -6.617 83 HG22 THR 13 2HG2 THR 13 7.477 -3.170 -5.040 84 HG23 THR 13 3HG2 THR 13 8.384 -2.814 -6.523 85 H GLU 14 H GLU 14 6.568 -8.025 -4.344 86 HA GLU 14 HA GLU 14 4.652 -7.919 -6.614 87 HB2 GLU 14 2HB GLU 14 6.379 -9.871 -6.200 88 HB3 GLU 14 3HB GLU 14 5.277 -10.341 -4.911 89 HG2 GLU 14 2HG GLU 14 4.667 -11.611 -6.829 90 HG3 GLU 14 3HG GLU 14 3.414 -10.381 -6.642 91 H GLU 15 H GLU 15 4.749 -9.236 -3.208 92 HA GLU 15 HA GLU 15 2.324 -7.642 -2.650 93 HB2 GLU 15 2HB GLU 15 1.730 -9.987 -3.542 94 HB3 GLU 15 3HB GLU 15 2.352 -10.601 -2.002 95 HG2 GLU 15 2HG GLU 15 0.799 -8.911 -0.858 96 HG3 GLU 15 3HG GLU 15 0.141 -8.532 -2.451 97 H LYS 16 H LYS 16 4.309 -6.603 -1.662 98 HA LYS 16 HA LYS 16 4.744 -7.718 1.091 99 HB2 LYS 16 2HB LYS 16 6.833 -6.315 -0.621 100 HB3 LYS 16 3HB LYS 16 7.029 -6.907 1.038 101 HG2 LYS 16 2HG LYS 16 6.315 -9.217 0.083 102 HG3 LYS 16 3HG LYS 16 6.630 -8.543 -1.503 103 HD2 LYS 16 2HD LYS 16 8.711 -8.563 0.738 104 HD3 LYS 16 3HD LYS 16 8.526 -9.876 -0.444 105 HE2 LYS 16 2HE LYS 16 8.863 -8.315 -2.276 106 HE3 LYS 16 3HE LYS 16 9.026 -6.967 -1.137 107 HZ1 LYS 16 1HZ LYS 16 10.837 -9.300 -1.327 108 HZ2 LYS 16 2HZ LYS 16 11.182 -7.801 -1.886 109 HZ3 LYS 16 3HZ LYS 16 11.018 -8.065 -0.260 110 H CYS 17 H CYS 17 4.060 -6.402 2.635 111 HA CYS 17 HA CYS 17 2.945 -3.721 2.114 112 HB2 CYS 17 2HB CYS 17 1.990 -5.459 3.598 113 HB3 CYS 17 3HB CYS 17 3.396 -5.296 4.659 114 H THR 18 H THR 18 4.528 -2.151 1.683 115 HA THR 18 HA THR 18 7.009 -2.132 3.270 116 HB THR 18 HB THR 18 7.464 -0.169 1.727 117 HG1 THR 18 1HG THR 18 5.976 0.131 0.078 118 HG21 THR 18 1HG2 THR 18 6.667 -2.785 0.338 119 HG22 THR 18 2HG2 THR 18 7.793 -1.566 -0.279 120 HG23 THR 18 3HG2 THR 18 8.207 -2.501 1.168 121 H ILE 19 H ILE 19 4.275 -1.734 4.476 122 HA ILE 19 HA ILE 19 4.672 0.937 5.689 123 HB ILE 19 HB ILE 19 2.188 -0.748 5.598 124 HG12 ILE 19 2HG1 ILE 19 3.259 1.404 3.758 125 HG13 ILE 19 3HG1 ILE 19 2.519 -0.177 3.368 126 HG21 ILE 19 1HG2 ILE 19 2.422 0.770 7.554 127 HG22 ILE 19 2HG2 ILE 19 2.819 2.102 6.464 128 HG23 ILE 19 3HG2 ILE 19 1.190 1.389 6.469 129 HD11 ILE 19 1HD1 ILE 19 0.414 0.606 4.216 130 HD12 ILE 19 2HD1 ILE 19 1.132 2.240 4.434 131 HD13 ILE 19 3HD1 ILE 19 1.008 1.527 2.808 132 H CYS 20 H CYS 20 3.347 -2.356 6.510 133 HA CYS 20 HA CYS 20 4.427 -2.229 9.289 134 HB2 CYS 20 2HB CYS 20 3.302 -4.348 9.526 135 HB3 CYS 20 3HB CYS 20 2.194 -3.105 8.966 136 H LEU 21 H LEU 21 5.904 -2.721 6.370 137 HA LEU 21 HA LEU 21 7.725 -3.856 5.670 138 HB2 LEU 21 2HB LEU 21 8.368 -3.654 8.637 139 HB3 LEU 21 3HB LEU 21 9.546 -4.054 7.392 140 HG LEU 21 HG LEU 21 7.961 -1.447 7.390 141 HD11 LEU 21 1HD1 LEU 21 9.328 -1.576 9.421 142 HD12 LEU 21 2HD1 LEU 21 10.756 -2.019 8.460 143 HD13 LEU 21 3HD1 LEU 21 10.018 -0.409 8.282 144 HD21 LEU 21 1HD2 LEU 21 8.895 -2.078 5.189 145 HD22 LEU 21 2HD2 LEU 21 9.781 -0.710 5.871 146 HD23 LEU 21 3HD2 LEU 21 10.491 -2.337 5.931 147 H SER 22 H SER 22 5.612 -5.544 5.789 148 HA SER 22 HA SER 22 6.924 -8.105 6.486 149 HB2 SER 22 2HB SER 22 4.053 -7.479 7.251 150 HB3 SER 22 3HB SER 22 4.923 -8.985 7.542 151 HG SER 22 HG SER 22 5.642 -6.462 8.664 152 H ILE 23 H ILE 23 6.055 -9.867 5.281 153 HA ILE 23 HA ILE 23 4.815 -9.090 2.728 154 HB ILE 23 HB ILE 23 6.131 -11.665 3.725 155 HG12 ILE 23 2HG1 ILE 23 7.760 -10.825 1.820 156 HG13 ILE 23 3HG1 ILE 23 7.066 -9.241 2.169 157 HG21 ILE 23 1HG2 ILE 23 4.520 -12.149 1.973 158 HG22 ILE 23 2HG2 ILE 23 5.140 -10.844 0.957 159 HG23 ILE 23 3HG2 ILE 23 6.129 -12.285 1.310 160 HD11 ILE 23 1HD1 ILE 23 8.042 -9.280 4.399 161 HD12 ILE 23 2HD1 ILE 23 8.531 -10.983 4.180 162 HD13 ILE 23 3HD1 ILE 23 9.262 -9.689 3.199 163 H LEU 24 H LEU 24 2.982 -10.452 1.997 164 HA LEU 24 HA LEU 24 1.118 -10.803 4.301 165 HB2 LEU 24 2HB LEU 24 0.475 -9.977 1.432 166 HB3 LEU 24 3HB LEU 24 -0.610 -10.003 2.819 167 HG LEU 24 HG LEU 24 1.862 -8.236 2.418 168 HD11 LEU 24 1HD1 LEU 24 -0.040 -7.836 0.945 169 HD12 LEU 24 2HD1 LEU 24 -1.116 -7.671 2.342 170 HD13 LEU 24 3HD1 LEU 24 0.207 -6.483 2.081 171 HD21 LEU 24 1HD2 LEU 24 1.624 -8.626 4.772 172 HD22 LEU 24 2HD2 LEU 24 0.882 -7.058 4.447 173 HD23 LEU 24 3HD2 LEU 24 -0.138 -8.506 4.678 174 H GLU 25 H GLU 25 0.862 -11.758 0.890 175 HA GLU 25 HA GLU 25 0.855 -13.621 -0.199 176 HB2 GLU 25 2HB GLU 25 1.409 -15.322 2.237 177 HB3 GLU 25 3HB GLU 25 1.706 -15.653 0.519 178 HG2 GLU 25 2HG GLU 25 3.377 -13.736 0.543 179 HG3 GLU 25 3HG GLU 25 3.180 -13.727 2.312 180 H GLU 26 H GLU 26 -0.322 -16.004 0.036 181 HA GLU 26 HA GLU 26 -3.029 -15.186 -0.053 182 HB2 GLU 26 2HB GLU 26 -3.537 -17.422 -0.706 183 HB3 GLU 26 3HB GLU 26 -2.037 -16.926 -1.431 184 HG2 GLU 26 2HG GLU 26 -1.466 -19.052 -0.807 185 HG3 GLU 26 3HG GLU 26 -0.871 -18.163 0.586 186 H GLY 27 H GLY 27 -4.496 -15.017 1.443 187 HA2 GLY 27 2HA GLY 27 -5.352 -16.252 3.600 188 HA3 GLY 27 3HA GLY 27 -3.760 -15.779 4.222 189 H GLU 28 H GLU 28 -3.513 -13.202 2.924 190 HA GLU 28 HA GLU 28 -5.568 -11.764 4.554 191 HB2 GLU 28 2HB GLU 28 -2.749 -10.945 3.756 192 HB3 GLU 28 3HB GLU 28 -3.907 -9.925 4.622 193 HG2 GLU 28 2HG GLU 28 -4.076 -12.016 6.252 194 HG3 GLU 28 3HG GLU 28 -2.461 -12.366 5.614 195 H ASP 29 H ASP 29 -5.426 -9.208 3.568 196 HA ASP 29 HA ASP 29 -6.534 -9.503 0.831 197 HB2 ASP 29 2HB ASP 29 -8.271 -9.367 2.666 198 HB3 ASP 29 3HB ASP 29 -7.615 -7.788 3.107 199 H VAL 30 H VAL 30 -6.430 -7.504 -0.416 200 HA VAL 30 HA VAL 30 -4.231 -5.692 0.427 201 HB VAL 30 HB VAL 30 -3.339 -5.969 -1.929 202 HG11 VAL 30 1HG1 VAL 30 -3.163 -8.386 -0.082 203 HG12 VAL 30 2HG1 VAL 30 -2.017 -7.964 -1.363 204 HG13 VAL 30 3HG1 VAL 30 -2.198 -6.897 0.043 205 HG21 VAL 30 1HG2 VAL 30 -4.905 -8.590 -1.885 206 HG22 VAL 30 2HG2 VAL 30 -5.290 -7.194 -2.919 207 HG23 VAL 30 3HG2 VAL 30 -3.755 -8.061 -3.117 208 H ARG 31 H ARG 31 -4.338 -3.589 -0.490 209 HA ARG 31 HA ARG 31 -6.685 -3.102 -2.214 210 HB2 ARG 31 2HB ARG 31 -7.274 -2.488 0.081 211 HB3 ARG 31 3HB ARG 31 -5.837 -1.465 0.225 212 HG2 ARG 31 2HG ARG 31 -6.723 0.199 -1.174 213 HG3 ARG 31 3HG ARG 31 -7.708 -0.962 -2.073 214 HD2 ARG 31 2HD ARG 31 -9.243 0.340 -0.869 215 HD3 ARG 31 3HD ARG 31 -9.185 -1.242 -0.101 216 HE ARG 31 HE ARG 31 -7.474 0.854 1.089 217 HH11 ARG 31 1HH1 ARG 31 -9.722 1.557 3.725 218 HH12 ARG 31 2HH1 ARG 31 -8.258 2.002 3.052 219 HH21 ARG 31 1HH2 ARG 31 -11.116 -0.057 2.652 220 HH22 ARG 31 2HH2 ARG 31 -10.447 -1.020 1.384 221 H ARG 32 H ARG 32 -6.292 -1.521 -3.769 222 HA ARG 32 HA ARG 32 -3.464 -0.686 -3.996 223 HB2 ARG 32 2HB ARG 32 -3.600 -0.935 -6.430 224 HB3 ARG 32 3HB ARG 32 -3.777 -2.452 -5.553 225 HG2 ARG 32 2HG ARG 32 -5.436 -2.766 -7.030 226 HG3 ARG 32 3HG ARG 32 -6.396 -1.911 -5.833 227 HD2 ARG 32 2HD ARG 32 -5.881 0.239 -7.191 228 HD3 ARG 32 3HD ARG 32 -5.150 -0.819 -8.390 229 HE ARG 32 HE ARG 32 -7.204 -1.572 -9.054 230 HH11 ARG 32 1HH1 ARG 32 -10.437 -0.841 -7.854 231 HH12 ARG 32 2HH1 ARG 32 -9.526 -1.637 -9.083 232 HH21 ARG 32 1HH2 ARG 32 -9.313 0.309 -6.105 233 HH22 ARG 32 2HH2 ARG 32 -7.589 0.334 -6.090 234 H LEU 33 H LEU 33 -3.136 1.324 -4.177 235 HA LEU 33 HA LEU 33 -5.041 3.328 -3.760 236 HB2 LEU 33 2HB LEU 33 -2.221 3.477 -4.947 237 HB3 LEU 33 3HB LEU 33 -3.075 4.781 -4.142 238 HG LEU 33 HG LEU 33 -1.922 2.243 -2.917 239 HD11 LEU 33 1HD1 LEU 33 -1.408 5.195 -2.435 240 HD12 LEU 33 2HD1 LEU 33 -0.681 3.863 -1.519 241 HD13 LEU 33 3HD1 LEU 33 -0.344 4.048 -3.248 242 HD21 LEU 33 1HD2 LEU 33 -4.023 4.090 -1.780 243 HD22 LEU 33 2HD2 LEU 33 -3.900 2.332 -1.702 244 HD23 LEU 33 3HD2 LEU 33 -2.812 3.343 -0.731 245 HA PRO 34 HA PRO 34 -6.194 4.315 -7.990 246 HB2 PRO 34 2HB PRO 34 -6.540 7.031 -7.848 247 HB3 PRO 34 3HB PRO 34 -7.681 5.861 -7.116 248 HG2 PRO 34 2HG PRO 34 -5.407 7.335 -5.750 249 HG3 PRO 34 3HG PRO 34 -7.112 7.196 -5.210 250 HD2 PRO 34 2HD PRO 34 -5.187 5.562 -4.231 251 HD3 PRO 34 3HD PRO 34 -6.821 4.929 -4.582 252 H CYS 35 H CYS 35 -3.226 5.216 -6.460 253 HA CYS 35 HA CYS 35 -2.097 6.590 -8.877 254 HB2 CYS 35 2HB CYS 35 -0.533 7.415 -7.467 255 HB3 CYS 35 3HB CYS 35 -1.920 7.399 -6.383 256 H MET 36 H MET 36 -2.931 3.619 -8.604 257 HA MET 36 HA MET 36 -2.170 1.624 -9.130 258 HB2 MET 36 2HB MET 36 -1.089 3.554 -11.015 259 HB3 MET 36 3HB MET 36 -0.015 2.167 -10.940 260 HG2 MET 36 2HG MET 36 -3.024 1.925 -11.250 261 HG3 MET 36 3HG MET 36 -1.923 2.049 -12.619 262 HE1 MET 36 1HE MET 36 0.546 0.357 -12.166 263 HE2 MET 36 2HE MET 36 0.006 -1.233 -12.742 264 HE3 MET 36 3HE MET 36 -0.506 0.240 -13.597 265 H HIS 37 H HIS 37 -1.508 1.568 -6.805 266 HA HIS 37 HA HIS 37 1.074 0.244 -6.671 267 HB2 HIS 37 1HB HIS 37 0.505 2.867 -5.245 268 HB3 HIS 37 2HB HIS 37 1.478 1.634 -4.455 269 HD2 HIS 37 2HD HIS 37 3.729 0.775 -5.724 270 HE1 HIS 37 1HE HIS 37 4.283 4.317 -8.023 271 HE2 HIS 37 2HE HIS 37 5.386 2.155 -7.218 272 H LEU 38 H LEU 38 1.087 -1.149 -4.559 273 HA LEU 38 HA LEU 38 -1.609 -1.382 -3.354 274 HB2 LEU 38 2HB LEU 38 -1.959 -3.523 -3.957 275 HB3 LEU 38 3HB LEU 38 -1.029 -3.028 -5.359 276 HG LEU 38 HG LEU 38 1.030 -3.918 -3.897 277 HD11 LEU 38 1HD1 LEU 38 -1.272 -5.646 -2.891 278 HD12 LEU 38 2HD1 LEU 38 0.446 -5.815 -2.493 279 HD13 LEU 38 3HD1 LEU 38 -0.476 -4.430 -1.886 280 HD21 LEU 38 1HD2 LEU 38 0.393 -4.850 -6.057 281 HD22 LEU 38 2HD2 LEU 38 0.765 -6.132 -4.898 282 HD23 LEU 38 3HD2 LEU 38 -0.930 -5.768 -5.294 283 H PHE 39 H PHE 39 -1.561 -1.854 -1.183 284 HA PHE 39 HA PHE 39 0.995 -2.570 0.103 285 HB2 PHE 39 2HB PHE 39 -0.297 0.146 0.520 286 HB3 PHE 39 3HB PHE 39 0.999 -0.514 1.514 287 HD1 PHE 39 1HD PHE 39 0.474 1.894 -0.828 288 HD2 PHE 39 2HD PHE 39 3.052 -1.499 -0.187 289 HE1 PHE 39 1HE PHE 39 2.176 2.894 -2.333 290 HE2 PHE 39 2HE PHE 39 4.698 -0.549 -1.750 291 HZ PHE 39 HZ PHE 39 4.285 1.665 -2.819 292 H HIS 40 H HIS 40 -0.760 -4.316 0.511 293 HA HIS 40 HA HIS 40 -2.121 -5.419 1.985 294 HB2 HIS 40 1HB HIS 40 -0.313 -4.102 3.475 295 HB3 HIS 40 2HB HIS 40 -1.742 -3.285 4.082 296 HD2 HIS 40 2HD HIS 40 -3.143 -6.600 3.778 297 HE1 HIS 40 1HE HIS 40 -0.757 -7.014 7.265 298 HE2 HIS 40 2HE HIS 40 -2.550 -8.062 5.883 299 H GLN 41 H GLN 41 -4.199 -4.802 3.648 300 HA GLN 41 HA GLN 41 -5.532 -2.397 2.473 301 HB2 GLN 41 2HB GLN 41 -6.811 -4.474 2.027 302 HB3 GLN 41 3HB GLN 41 -6.943 -4.750 3.773 303 HG2 GLN 41 2HG GLN 41 -8.265 -2.779 4.104 304 HG3 GLN 41 3HG GLN 41 -7.758 -2.077 2.565 305 HE21 GLN 41 1HE2 GLN 41 -9.159 -5.298 3.438 306 HE22 GLN 41 2HE2 GLN 41 -10.236 -5.327 2.119 307 H VAL 42 H VAL 42 -4.805 -4.191 5.494 308 HA VAL 42 HA VAL 42 -5.915 -2.287 7.250 309 HB VAL 42 HB VAL 42 -3.505 -4.132 7.619 310 HG11 VAL 42 1HG1 VAL 42 -4.057 -4.009 10.037 311 HG12 VAL 42 2HG1 VAL 42 -3.581 -2.429 9.406 312 HG13 VAL 42 3HG1 VAL 42 -5.299 -2.786 9.689 313 HG21 VAL 42 1HG2 VAL 42 -5.506 -5.411 6.979 314 HG22 VAL 42 2HG2 VAL 42 -5.158 -5.654 8.688 315 HG23 VAL 42 3HG2 VAL 42 -6.466 -4.555 8.206 316 H CYS 43 H CYS 43 -2.454 -2.657 6.362 317 HA CYS 43 HA CYS 43 -1.601 -0.446 7.895 318 HB2 CYS 43 2HB CYS 43 -0.268 -1.759 5.505 319 HB3 CYS 43 3HB CYS 43 0.485 -0.813 6.833 320 H VAL 44 H VAL 44 -2.163 -0.599 4.304 321 HA VAL 44 HA VAL 44 -1.441 1.994 3.737 322 HB VAL 44 HB VAL 44 -2.138 0.617 1.959 323 HG11 VAL 44 1HG1 VAL 44 -4.395 -0.196 1.568 324 HG12 VAL 44 2HG1 VAL 44 -3.789 -0.826 3.094 325 HG13 VAL 44 3HG1 VAL 44 -4.964 0.516 3.088 326 HG21 VAL 44 1HG2 VAL 44 -2.597 3.000 1.613 327 HG22 VAL 44 2HG2 VAL 44 -3.760 1.966 0.745 328 HG23 VAL 44 3HG2 VAL 44 -4.254 2.789 2.228 329 H ASP 45 H ASP 45 -4.496 0.861 5.309 330 HA ASP 45 HA ASP 45 -5.576 3.537 5.523 331 HB2 ASP 45 2HB ASP 45 -6.558 0.900 5.569 332 HB3 ASP 45 3HB ASP 45 -6.818 1.455 7.208 333 H GLN 46 H GLN 46 -2.930 2.842 6.856 334 HA GLN 46 HA GLN 46 -3.570 3.859 9.568 335 HB2 GLN 46 2HB GLN 46 -3.057 1.285 9.252 336 HB3 GLN 46 3HB GLN 46 -1.378 1.822 9.079 337 HG2 GLN 46 2HG GLN 46 -1.581 2.980 11.297 338 HG3 GLN 46 3HG GLN 46 -3.237 2.357 11.435 339 HE21 GLN 46 1HE2 GLN 46 -1.687 1.639 13.513 340 HE22 GLN 46 2HE2 GLN 46 -1.147 -0.026 13.323 341 H ARG 47 H ARG 47 -1.070 3.437 7.008 342 HA ARG 47 HA ARG 47 0.450 5.727 8.093 343 HB2 ARG 47 2HB ARG 47 1.687 3.833 7.308 344 HB3 ARG 47 3HB ARG 47 0.891 3.914 5.725 345 HG2 ARG 47 2HG ARG 47 1.995 6.065 5.250 346 HG3 ARG 47 3HG ARG 47 2.750 6.050 6.861 347 HD2 ARG 47 2HD ARG 47 4.012 4.051 6.321 348 HD3 ARG 47 3HD ARG 47 3.106 3.829 4.806 349 HE ARG 47 HE ARG 47 4.394 6.359 4.783 350 HH11 ARG 47 1HH1 ARG 47 7.180 5.269 2.910 351 HH12 ARG 47 2HH1 ARG 47 6.256 6.639 3.408 352 HH21 ARG 47 1HH2 ARG 47 6.524 3.053 3.601 353 HH22 ARG 47 2HH2 ARG 47 5.165 2.897 4.603 354 H LEU 48 H LEU 48 -1.576 4.929 5.170 355 HA LEU 48 HA LEU 48 -0.920 7.533 4.033 356 HB2 LEU 48 2HB LEU 48 -2.799 5.317 3.139 357 HB3 LEU 48 3HB LEU 48 -2.746 6.874 2.362 358 HG LEU 48 HG LEU 48 -1.445 5.196 1.162 359 HD11 LEU 48 1HD1 LEU 48 0.498 6.540 0.706 360 HD12 LEU 48 2HD1 LEU 48 -0.858 7.626 1.041 361 HD13 LEU 48 3HD1 LEU 48 0.394 7.349 2.277 362 HD21 LEU 48 1HD2 LEU 48 0.558 5.231 3.447 363 HD22 LEU 48 2HD2 LEU 48 -0.614 3.924 3.166 364 HD23 LEU 48 3HD2 LEU 48 0.626 4.285 1.950 365 H ILE 49 H ILE 49 -3.262 6.381 6.373 366 HA ILE 49 HA ILE 49 -5.252 8.279 5.784 367 HB ILE 49 HB ILE 49 -5.849 8.106 8.230 368 HG12 ILE 49 2HG1 ILE 49 -3.805 5.913 8.391 369 HG13 ILE 49 3HG1 ILE 49 -3.360 7.559 8.859 370 HG21 ILE 49 1HG2 ILE 49 -6.842 6.678 6.520 371 HG22 ILE 49 2HG2 ILE 49 -5.468 5.565 6.602 372 HG23 ILE 49 3HG2 ILE 49 -6.567 5.731 7.987 373 HD11 ILE 49 1HD1 ILE 49 -5.190 7.607 10.514 374 HD12 ILE 49 2HD1 ILE 49 -5.628 5.935 10.084 375 HD13 ILE 49 3HD1 ILE 49 -4.053 6.281 10.823 376 H THR 50 H THR 50 -2.028 8.843 7.011 377 HA THR 50 HA THR 50 -2.844 11.649 7.653 378 HB THR 50 HB THR 50 -1.929 10.488 9.574 379 HG1 THR 50 1HG THR 50 -0.166 12.377 8.434 380 HG21 THR 50 1HG2 THR 50 0.551 9.999 7.871 381 HG22 THR 50 2HG2 THR 50 0.480 9.847 9.638 382 HG23 THR 50 3HG2 THR 50 -0.506 8.784 8.631 383 H ASN 51 H ASN 51 -2.533 10.542 4.910 384 HA ASN 51 HA ASN 51 -0.491 12.403 3.983 385 HB2 ASN 51 2HB ASN 51 0.431 9.910 4.569 386 HB3 ASN 51 3HB ASN 51 -0.201 9.595 2.950 387 HD21 ASN 51 1HD2 ASN 51 2.611 10.362 4.510 388 HD22 ASN 51 2HD2 ASN 51 3.358 11.338 3.256 389 H LYS 52 H LYS 52 -0.517 12.314 1.444 390 HA LYS 52 HA LYS 52 -2.587 10.848 0.177 391 HB2 LYS 52 2HB LYS 52 -3.714 12.928 -0.864 392 HB3 LYS 52 3HB LYS 52 -4.263 12.351 0.685 393 HG2 LYS 52 2HG LYS 52 -2.132 14.411 0.912 394 HG3 LYS 52 3HG LYS 52 -3.597 14.970 0.098 395 HD2 LYS 52 2HD LYS 52 -5.009 14.379 1.927 396 HD3 LYS 52 3HD LYS 52 -3.736 13.445 2.721 397 HE2 LYS 52 2HE LYS 52 -2.401 15.510 3.033 398 HE3 LYS 52 3HE LYS 52 -3.724 16.455 2.322 399 HZ1 LYS 52 1HZ LYS 52 -3.942 14.770 4.742 400 HZ2 LYS 52 2HZ LYS 52 -3.817 16.414 4.744 401 HZ3 LYS 52 3HZ LYS 52 -5.147 15.681 4.101 402 H LYS 53 H LYS 53 -0.254 10.336 -0.489 403 HA LYS 53 HA LYS 53 -0.109 11.427 -3.104 404 HB2 LYS 53 2HB LYS 53 2.355 12.032 -2.997 405 HB3 LYS 53 3HB LYS 53 1.254 13.189 -2.238 406 HG2 LYS 53 2HG LYS 53 1.973 12.723 -0.104 407 HG3 LYS 53 3HG LYS 53 2.383 11.042 -0.470 408 HD2 LYS 53 2HD LYS 53 4.412 12.062 -0.020 409 HD3 LYS 53 3HD LYS 53 4.389 11.900 -1.774 410 HE2 LYS 53 2HE LYS 53 3.647 14.429 -0.216 411 HE3 LYS 53 3HE LYS 53 5.258 14.101 -0.869 412 HZ1 LYS 53 1HZ LYS 53 4.050 15.478 -2.360 413 HZ2 LYS 53 2HZ LYS 53 4.259 14.008 -3.075 414 HZ3 LYS 53 3HZ LYS 53 2.793 14.429 -2.446 415 H CYS 54 H CYS 54 1.495 10.257 -4.375 416 HA CYS 54 HA CYS 54 2.453 7.566 -3.338 417 HB2 CYS 54 2HB CYS 54 1.028 8.455 -5.743 418 HB3 CYS 54 3HB CYS 54 2.666 7.883 -6.120 419 HA PRO 55 HA PRO 55 6.454 9.455 -4.427 420 HB2 PRO 55 2HB PRO 55 7.913 7.247 -5.080 421 HB3 PRO 55 3HB PRO 55 7.458 7.611 -3.385 422 HG2 PRO 55 2HG PRO 55 6.099 5.703 -5.311 423 HG3 PRO 55 3HG PRO 55 6.551 5.418 -3.604 424 HD2 PRO 55 2HD PRO 55 4.023 6.174 -4.395 425 HD3 PRO 55 3HD PRO 55 4.718 6.655 -2.816 426 H ILE 56 H ILE 56 6.826 10.398 -6.334 427 HA ILE 56 HA ILE 56 6.702 11.075 -8.400 428 HB ILE 56 HB ILE 56 7.756 9.740 -10.094 429 HG12 ILE 56 2HG1 ILE 56 7.865 7.440 -8.100 430 HG13 ILE 56 3HG1 ILE 56 6.752 7.506 -9.479 431 HG21 ILE 56 1HG2 ILE 56 8.985 10.974 -8.291 432 HG22 ILE 56 2HG2 ILE 56 9.113 9.452 -7.381 433 HG23 ILE 56 3HG2 ILE 56 9.893 9.625 -8.965 434 HD11 ILE 56 1HD1 ILE 56 8.724 7.687 -11.015 435 HD12 ILE 56 2HD1 ILE 56 9.799 7.481 -9.610 436 HD13 ILE 56 3HD1 ILE 56 8.695 6.181 -10.075 437 H CYS 57 H CYS 57 4.148 8.778 -7.829 438 HA CYS 57 HA CYS 57 2.894 9.060 -10.439 439 HB2 CYS 57 2HB CYS 57 1.491 8.896 -7.782 440 HB3 CYS 57 3HB CYS 57 0.904 8.405 -9.360 441 H ARG 58 H ARG 58 3.165 11.172 -7.601 442 HA ARG 58 HA ARG 58 2.321 13.228 -7.087 443 HB2 ARG 58 2HB ARG 58 3.526 13.433 -9.579 444 HB3 ARG 58 3HB ARG 58 1.982 14.209 -9.869 445 HG2 ARG 58 2HG ARG 58 3.862 14.884 -7.559 446 HG3 ARG 58 3HG ARG 58 3.886 15.696 -9.124 447 HD2 ARG 58 2HD ARG 58 1.595 16.504 -8.796 448 HD3 ARG 58 3HD ARG 58 1.515 15.697 -7.215 449 HE ARG 58 HE ARG 58 3.802 17.228 -7.087 450 HH11 ARG 58 1HH1 ARG 58 2.564 20.421 -6.312 451 HH12 ARG 58 2HH1 ARG 58 3.950 19.399 -6.297 452 HH21 ARG 58 1HH2 ARG 58 0.497 19.609 -7.160 453 HH22 ARG 58 2HH2 ARG 58 0.412 17.974 -7.713 454 H VAL 59 H VAL 59 0.476 11.163 -7.137 455 HA VAL 59 HA VAL 59 -2.064 12.504 -7.900 456 HB VAL 59 HB VAL 59 -1.189 9.588 -7.972 457 HG11 VAL 59 1HG1 VAL 59 -4.040 10.648 -8.191 458 HG12 VAL 59 2HG1 VAL 59 -3.522 8.996 -8.591 459 HG13 VAL 59 3HG1 VAL 59 -3.407 9.571 -6.927 460 HG21 VAL 59 1HG2 VAL 59 -1.890 9.651 -10.289 461 HG22 VAL 59 2HG2 VAL 59 -2.549 11.292 -10.100 462 HG23 VAL 59 3HG2 VAL 59 -0.801 11.018 -10.013 463 H ASP 60 H ASP 60 -3.398 12.833 -6.153 464 HA ASP 60 HA ASP 60 -2.534 12.183 -3.497 465 HB2 ASP 60 2HB ASP 60 -5.108 13.338 -4.661 466 HB3 ASP 60 3HB ASP 60 -4.834 13.121 -2.933 467 H ILE 61 H ILE 61 -3.249 10.517 -2.173 468 HA ILE 61 HA ILE 61 -4.486 8.252 -3.514 469 HB ILE 61 HB ILE 61 -3.319 8.569 -0.717 470 HG12 ILE 61 2HG1 ILE 61 -1.577 9.281 -2.117 471 HG13 ILE 61 3HG1 ILE 61 -1.212 7.615 -1.685 472 HG21 ILE 61 1HG2 ILE 61 -4.571 6.516 -0.973 473 HG22 ILE 61 2HG2 ILE 61 -3.717 6.145 -2.485 474 HG23 ILE 61 3HG2 ILE 61 -2.842 6.157 -0.926 475 HD11 ILE 61 1HD1 ILE 61 -0.763 7.993 -4.039 476 HD12 ILE 61 2HD1 ILE 61 -2.166 6.912 -3.901 477 HD13 ILE 61 3HD1 ILE 61 -2.393 8.622 -4.305 478 H GLU 62 H GLU 62 -5.398 10.731 -1.274 479 HA GLU 62 HA GLU 62 -7.789 9.252 -0.344 480 HB2 GLU 62 2HB GLU 62 -5.753 9.320 1.261 481 HB3 GLU 62 3HB GLU 62 -6.029 11.056 1.380 482 HG2 GLU 62 2HG GLU 62 -7.970 8.832 2.134 483 HG3 GLU 62 3HG GLU 62 -7.031 9.817 3.262 484 H ALA 63 H ALA 63 -9.619 10.691 -0.228 485 HA ALA 63 HA ALA 63 -9.303 13.439 -1.211 486 HB1 ALA 63 1HB ALA 63 -8.997 12.070 -3.265 487 HB2 ALA 63 2HB ALA 63 -10.544 11.251 -2.948 488 HB3 ALA 63 3HB ALA 63 -10.513 12.988 -3.326 489 H GLN 64 H GLN 64 -10.491 12.266 1.189 490 HA GLN 64 HA GLN 64 -13.386 12.817 0.691 491 HB2 GLN 64 2HB GLN 64 -12.691 10.364 0.938 492 HB3 GLN 64 3HB GLN 64 -12.224 10.762 2.593 493 HG2 GLN 64 2HG GLN 64 -14.701 11.737 2.749 494 HG3 GLN 64 3HG GLN 64 -14.978 10.749 1.313 495 HE21 GLN 64 1HE2 GLN 64 -13.543 10.581 4.611 496 HE22 GLN 64 2HE2 GLN 64 -14.103 8.934 4.932 497 H LEU 65 H LEU 65 -12.111 14.986 1.312 498 HA LEU 65 HA LEU 65 -12.565 15.343 4.232 499 HB2 LEU 65 2HB LEU 65 -10.209 16.002 2.698 500 HB3 LEU 65 3HB LEU 65 -11.009 17.501 3.164 501 HG LEU 65 HG LEU 65 -11.161 16.557 5.542 502 HD11 LEU 65 1HD1 LEU 65 -10.689 14.177 4.971 503 HD12 LEU 65 2HD1 LEU 65 -9.079 14.628 4.397 504 HD13 LEU 65 3HD1 LEU 65 -9.498 14.812 6.116 505 HD21 LEU 65 1HD2 LEU 65 -8.826 17.192 6.051 506 HD22 LEU 65 2HD2 LEU 65 -8.425 17.101 4.316 507 HD23 LEU 65 3HD2 LEU 65 -9.582 18.316 4.910 508 HA PRO 66 HA PRO 66 -15.643 18.078 2.277 509 HB2 PRO 66 2HB PRO 66 -17.426 18.173 4.330 510 HB3 PRO 66 3HB PRO 66 -17.236 16.695 3.343 511 HG2 PRO 66 2HG PRO 66 -15.955 17.309 6.026 512 HG3 PRO 66 3HG PRO 66 -16.867 15.840 5.549 513 HD2 PRO 66 2HD PRO 66 -14.123 16.018 5.457 514 HD3 PRO 66 3HD PRO 66 -15.055 15.012 4.302 515 H SER 67 H SER 67 -16.796 20.116 3.820 516 HA SER 67 HA SER 67 -14.771 21.221 5.602 517 HB2 SER 67 2HB SER 67 -14.261 22.220 3.337 518 HB3 SER 67 3HB SER 67 -15.923 22.853 3.296 519 HG SER 67 HG SER 67 -14.925 24.488 4.239 520 H GLU 68 H GLU 68 -15.777 23.099 6.733 521 HA GLU 68 HA GLU 68 -18.754 23.022 6.844 522 HB2 GLU 68 2HB GLU 68 -18.656 23.044 9.297 523 HB3 GLU 68 3HB GLU 68 -17.942 21.587 8.621 524 HG2 GLU 68 2HG GLU 68 -15.824 23.545 8.900 525 HG3 GLU 68 3HG GLU 68 -16.749 23.534 10.396 526 H SER 69 H SER 69 -16.568 24.839 5.684 527 HA SER 69 HA SER 69 -17.895 27.307 6.285 528 HB2 SER 69 2HB SER 69 -14.920 26.959 6.880 529 HB3 SER 69 3HB SER 69 -15.717 28.527 6.649 530 HG SER 69 HG SER 69 -16.909 26.809 8.476 Start of MODEL 3 1 H1 MET 1 H1 MET 1 26.571 -33.979 -9.141 2 H2 MET 1 H2 MET 1 26.840 -35.589 -9.379 3 H3 MET 1 H3 MET 1 26.721 -34.570 -10.671 4 HA MET 1 HA MET 1 24.762 -35.850 -10.475 5 HB2 MET 1 2HB MET 1 25.046 -35.187 -7.651 6 HB3 MET 1 3HB MET 1 23.408 -34.844 -8.247 7 HG2 MET 1 2HG MET 1 23.128 -37.034 -9.108 8 HG3 MET 1 3HG MET 1 24.838 -37.429 -8.937 9 HE1 MET 1 1HE MET 1 25.346 -38.550 -5.390 10 HE2 MET 1 2HE MET 1 25.805 -38.742 -7.094 11 HE3 MET 1 3HE MET 1 25.971 -37.156 -6.300 12 H LYS 2 H LYS 2 24.285 -32.640 -8.819 13 HA LYS 2 HA LYS 2 23.166 -30.822 -9.467 14 HB2 LYS 2 2HB LYS 2 23.923 -31.607 -12.323 15 HB3 LYS 2 3HB LYS 2 22.987 -30.196 -11.870 16 HG2 LYS 2 2HG LYS 2 24.937 -29.524 -10.347 17 HG3 LYS 2 3HG LYS 2 25.875 -30.799 -11.145 18 HD2 LYS 2 2HD LYS 2 26.273 -28.595 -12.169 19 HD3 LYS 2 3HD LYS 2 25.509 -29.688 -13.341 20 HE2 LYS 2 2HE LYS 2 23.443 -28.590 -13.241 21 HE3 LYS 2 3HE LYS 2 23.744 -27.944 -11.623 22 HZ1 LYS 2 1HZ LYS 2 25.294 -26.393 -12.561 23 HZ2 LYS 2 2HZ LYS 2 25.075 -26.999 -14.080 24 HZ3 LYS 2 3HZ LYS 2 23.839 -26.241 -13.304 25 H GLN 3 H GLN 3 21.216 -31.543 -8.590 26 HA GLN 3 HA GLN 3 19.188 -31.930 -10.642 27 HB2 GLN 3 2HB GLN 3 19.984 -34.284 -9.809 28 HB3 GLN 3 3HB GLN 3 19.239 -33.853 -8.271 29 HG2 GLN 3 2HG GLN 3 17.616 -35.095 -9.529 30 HG3 GLN 3 3HG GLN 3 17.076 -33.412 -9.582 31 HE21 GLN 3 1HE2 GLN 3 16.947 -32.370 -11.675 32 HE22 GLN 3 2HE2 GLN 3 17.448 -33.224 -13.129 33 H ASP 4 H ASP 4 19.409 -29.644 -9.831 34 HA ASP 4 HA ASP 4 17.806 -29.195 -7.397 35 HB2 ASP 4 2HB ASP 4 20.492 -27.908 -8.088 36 HB3 ASP 4 3HB ASP 4 19.482 -27.555 -6.687 37 H GLY 5 H GLY 5 16.172 -27.933 -8.168 38 HA2 GLY 5 2HA GLY 5 16.806 -25.736 -10.045 39 HA3 GLY 5 3HA GLY 5 15.491 -26.868 -10.446 40 H GLU 6 H GLU 6 15.358 -23.882 -9.695 41 HA GLU 6 HA GLU 6 13.355 -24.067 -7.588 42 HB2 GLU 6 2HB GLU 6 15.528 -23.891 -6.371 43 HB3 GLU 6 3HB GLU 6 15.965 -22.484 -7.340 44 HG2 GLU 6 2HG GLU 6 15.202 -21.825 -5.111 45 HG3 GLU 6 3HG GLU 6 14.117 -21.190 -6.346 46 H GLU 7 H GLU 7 12.009 -22.129 -7.656 47 HA GLU 7 HA GLU 7 12.261 -20.671 -10.237 48 HB2 GLU 7 2HB GLU 7 9.995 -21.013 -8.253 49 HB3 GLU 7 3HB GLU 7 10.002 -19.706 -9.455 50 HG2 GLU 7 2HG GLU 7 10.405 -21.422 -11.254 51 HG3 GLU 7 3HG GLU 7 10.153 -22.688 -10.046 52 H GLY 8 H GLY 8 14.042 -19.352 -9.774 53 HA2 GLY 8 2HA GLY 8 14.688 -17.138 -9.460 54 HA3 GLY 8 3HA GLY 8 13.068 -16.802 -8.822 55 H THR 9 H THR 9 13.108 -16.062 -6.723 56 HA THR 9 HA THR 9 14.498 -17.312 -4.649 57 HB THR 9 HB THR 9 16.502 -16.367 -5.723 58 HG1 THR 9 1HG THR 9 16.598 -16.495 -3.554 59 HG21 THR 9 1HG2 THR 9 16.889 -13.964 -5.832 60 HG22 THR 9 2HG2 THR 9 15.525 -14.434 -6.864 61 HG23 THR 9 3HG2 THR 9 15.227 -13.638 -5.307 62 H GLU 10 H GLU 10 14.710 -14.608 -3.237 63 HA GLU 10 HA GLU 10 12.194 -14.364 -2.075 64 HB2 GLU 10 2HB GLU 10 14.601 -13.356 -1.541 65 HB3 GLU 10 3HB GLU 10 14.049 -12.012 -2.524 66 HG2 GLU 10 2HG GLU 10 13.428 -11.277 -0.435 67 HG3 GLU 10 3HG GLU 10 11.927 -12.071 -0.907 68 H GLU 11 H GLU 11 10.433 -12.831 -2.384 69 HA GLU 11 HA GLU 11 9.814 -12.156 -5.103 70 HB2 GLU 11 2HB GLU 11 8.665 -11.007 -2.509 71 HB3 GLU 11 3HB GLU 11 8.011 -10.748 -4.109 72 HG2 GLU 11 2HG GLU 11 6.661 -12.416 -3.138 73 HG3 GLU 11 3HG GLU 11 7.654 -13.217 -4.362 74 H ASP 12 H ASP 12 9.596 -9.951 -6.031 75 HA ASP 12 HA ASP 12 11.139 -7.864 -4.640 76 HB2 ASP 12 2HB ASP 12 12.139 -9.283 -6.894 77 HB3 ASP 12 3HB ASP 12 11.526 -7.760 -7.541 78 H THR 13 H THR 13 9.925 -6.110 -4.544 79 HA THR 13 HA THR 13 7.899 -5.020 -4.475 80 HB THR 13 HB THR 13 9.455 -3.822 -5.884 81 HG1 THR 13 1HG THR 13 6.778 -3.673 -6.739 82 HG21 THR 13 1HG2 THR 13 8.117 -5.173 -8.262 83 HG22 THR 13 2HG2 THR 13 9.186 -3.757 -8.344 84 HG23 THR 13 3HG2 THR 13 9.820 -5.304 -7.772 85 H GLU 14 H GLU 14 7.231 -7.804 -4.842 86 HA GLU 14 HA GLU 14 5.049 -7.763 -6.811 87 HB2 GLU 14 2HB GLU 14 6.821 -9.733 -5.786 88 HB3 GLU 14 3HB GLU 14 5.222 -10.240 -5.270 89 HG2 GLU 14 2HG GLU 14 6.008 -9.515 -8.123 90 HG3 GLU 14 3HG GLU 14 5.929 -11.153 -7.469 91 H GLU 15 H GLU 15 4.886 -9.242 -3.512 92 HA GLU 15 HA GLU 15 2.492 -7.526 -3.045 93 HB2 GLU 15 2HB GLU 15 1.300 -9.441 -2.158 94 HB3 GLU 15 3HB GLU 15 1.610 -9.557 -3.881 95 HG2 GLU 15 2HG GLU 15 3.306 -11.230 -3.596 96 HG3 GLU 15 3HG GLU 15 3.355 -11.010 -1.849 97 H LYS 16 H LYS 16 4.388 -6.410 -1.986 98 HA LYS 16 HA LYS 16 4.704 -7.484 0.785 99 HB2 LYS 16 2HB LYS 16 6.893 -6.164 -0.863 100 HB3 LYS 16 3HB LYS 16 6.999 -6.756 0.809 101 HG2 LYS 16 2HG LYS 16 6.124 -9.014 -0.211 102 HG3 LYS 16 3HG LYS 16 6.659 -8.369 -1.752 103 HD2 LYS 16 2HD LYS 16 8.528 -8.532 0.652 104 HD3 LYS 16 3HD LYS 16 8.241 -9.917 -0.425 105 HE2 LYS 16 2HE LYS 16 8.912 -8.540 -2.355 106 HE3 LYS 16 3HE LYS 16 9.241 -7.186 -1.260 107 HZ1 LYS 16 1HZ LYS 16 10.959 -8.621 -0.218 108 HZ2 LYS 16 2HZ LYS 16 10.573 -9.845 -1.265 109 HZ3 LYS 16 3HZ LYS 16 11.232 -8.521 -1.856 110 H CYS 17 H CYS 17 3.775 -6.244 2.143 111 HA CYS 17 HA CYS 17 2.938 -3.429 1.927 112 HB2 CYS 17 2HB CYS 17 1.785 -5.123 3.287 113 HB3 CYS 17 3HB CYS 17 3.274 -5.439 4.175 114 H THR 18 H THR 18 4.657 -1.956 1.606 115 HA THR 18 HA THR 18 7.062 -2.355 3.310 116 HB THR 18 HB THR 18 8.028 -0.568 1.921 117 HG1 THR 18 1HG THR 18 6.208 0.548 1.346 118 HG21 THR 18 1HG2 THR 18 8.232 -1.838 -0.162 119 HG22 THR 18 2HG2 THR 18 8.240 -2.972 1.202 120 HG23 THR 18 3HG2 THR 18 6.785 -2.778 0.210 121 H ILE 19 H ILE 19 4.417 -1.754 4.423 122 HA ILE 19 HA ILE 19 4.885 0.913 5.615 123 HB ILE 19 HB ILE 19 2.484 -0.839 5.615 124 HG12 ILE 19 2HG1 ILE 19 3.330 1.369 3.785 125 HG13 ILE 19 3HG1 ILE 19 2.537 -0.200 3.456 126 HG21 ILE 19 1HG2 ILE 19 2.713 0.588 7.645 127 HG22 ILE 19 2HG2 ILE 19 3.021 1.974 6.594 128 HG23 ILE 19 3HG2 ILE 19 1.419 1.211 6.643 129 HD11 ILE 19 1HD1 ILE 19 0.516 0.573 4.412 130 HD12 ILE 19 2HD1 ILE 19 1.255 2.196 4.667 131 HD13 ILE 19 3HD1 ILE 19 1.046 1.543 3.018 132 H CYS 20 H CYS 20 3.229 -2.037 6.961 133 HA CYS 20 HA CYS 20 4.998 -2.000 9.339 134 HB2 CYS 20 2HB CYS 20 3.383 -3.356 10.306 135 HB3 CYS 20 3HB CYS 20 2.529 -2.052 9.505 136 H LEU 21 H LEU 21 6.405 -2.499 7.086 137 HA LEU 21 HA LEU 21 7.517 -4.090 5.775 138 HB2 LEU 21 2HB LEU 21 8.457 -4.354 8.653 139 HB3 LEU 21 3HB LEU 21 9.412 -4.790 7.232 140 HG LEU 21 HG LEU 21 8.362 -1.978 7.818 141 HD11 LEU 21 1HD1 LEU 21 10.689 -1.433 8.369 142 HD12 LEU 21 2HD1 LEU 21 10.041 -2.666 9.461 143 HD13 LEU 21 3HD1 LEU 21 11.153 -3.137 8.155 144 HD21 LEU 21 1HD2 LEU 21 9.987 -1.306 6.053 145 HD22 LEU 21 2HD2 LEU 21 10.301 -3.020 5.708 146 HD23 LEU 21 3HD2 LEU 21 8.692 -2.317 5.414 147 H SER 22 H SER 22 5.634 -5.510 5.258 148 HA SER 22 HA SER 22 6.116 -8.249 6.266 149 HB2 SER 22 2HB SER 22 3.436 -8.311 6.229 150 HB3 SER 22 3HB SER 22 4.360 -7.916 7.669 151 HG SER 22 HG SER 22 3.919 -5.868 7.497 152 H ILE 23 H ILE 23 5.568 -9.881 4.822 153 HA ILE 23 HA ILE 23 4.731 -9.020 2.134 154 HB ILE 23 HB ILE 23 5.519 -11.729 3.310 155 HG12 ILE 23 2HG1 ILE 23 7.412 -11.229 1.538 156 HG13 ILE 23 3HG1 ILE 23 6.935 -9.548 1.781 157 HG21 ILE 23 1HG2 ILE 23 5.007 -10.853 0.433 158 HG22 ILE 23 2HG2 ILE 23 5.621 -12.443 0.938 159 HG23 ILE 23 3HG2 ILE 23 3.993 -11.954 1.371 160 HD11 ILE 23 1HD1 ILE 23 8.009 -11.391 3.932 161 HD12 ILE 23 2HD1 ILE 23 8.957 -10.222 2.973 162 HD13 ILE 23 3HD1 ILE 23 7.722 -9.633 4.081 163 H LEU 24 H LEU 24 2.852 -10.053 1.241 164 HA LEU 24 HA LEU 24 0.651 -9.894 3.196 165 HB2 LEU 24 2HB LEU 24 0.799 -9.845 0.133 166 HB3 LEU 24 3HB LEU 24 -0.690 -9.669 1.079 167 HG LEU 24 HG LEU 24 1.771 -7.835 1.247 168 HD11 LEU 24 1HD1 LEU 24 1.028 -7.424 -0.849 169 HD12 LEU 24 2HD1 LEU 24 -0.613 -7.952 -0.531 170 HD13 LEU 24 3HD1 LEU 24 -0.068 -6.336 0.024 171 HD21 LEU 24 1HD2 LEU 24 -0.994 -7.742 2.465 172 HD22 LEU 24 2HD2 LEU 24 0.587 -7.762 3.285 173 HD23 LEU 24 3HD2 LEU 24 0.109 -6.337 2.365 174 H GLU 25 H GLU 25 0.808 -11.768 0.218 175 HA GLU 25 HA GLU 25 1.218 -13.894 -0.233 176 HB2 GLU 25 2HB GLU 25 0.739 -14.675 2.662 177 HB3 GLU 25 3HB GLU 25 1.261 -15.703 1.328 178 HG2 GLU 25 2HG GLU 25 3.296 -14.236 1.058 179 HG3 GLU 25 3HG GLU 25 2.804 -13.369 2.524 180 H GLU 26 H GLU 26 -0.518 -13.789 -1.550 181 HA GLU 26 HA GLU 26 -2.424 -14.807 -2.373 182 HB2 GLU 26 2HB GLU 26 -1.925 -16.536 -0.363 183 HB3 GLU 26 3HB GLU 26 -3.428 -15.833 0.248 184 HG2 GLU 26 2HG GLU 26 -4.325 -16.302 -2.190 185 HG3 GLU 26 3HG GLU 26 -2.906 -17.331 -2.344 186 H GLY 27 H GLY 27 -5.019 -14.915 -1.005 187 HA2 GLY 27 2HA GLY 27 -5.664 -12.109 -1.592 188 HA3 GLY 27 3HA GLY 27 -6.802 -13.444 -1.349 189 H GLU 28 H GLU 28 -4.184 -12.105 0.682 190 HA GLU 28 HA GLU 28 -5.800 -12.104 3.098 191 HB2 GLU 28 2HB GLU 28 -3.071 -11.070 2.269 192 HB3 GLU 28 3HB GLU 28 -3.713 -10.591 3.827 193 HG2 GLU 28 2HG GLU 28 -3.538 -13.509 3.008 194 HG3 GLU 28 3HG GLU 28 -2.271 -12.655 3.911 195 H ASP 29 H ASP 29 -5.625 -9.884 4.412 196 HA ASP 29 HA ASP 29 -7.399 -8.042 3.168 197 HB2 ASP 29 2HB ASP 29 -6.053 -8.350 5.772 198 HB3 ASP 29 3HB ASP 29 -6.264 -6.669 5.319 199 H VAL 30 H VAL 30 -6.532 -7.396 1.252 200 HA VAL 30 HA VAL 30 -4.271 -5.460 1.421 201 HB VAL 30 HB VAL 30 -3.738 -5.993 -0.885 202 HG11 VAL 30 1HG1 VAL 30 -2.623 -7.223 0.919 203 HG12 VAL 30 2HG1 VAL 30 -3.880 -8.477 0.873 204 HG13 VAL 30 3HG1 VAL 30 -2.827 -8.249 -0.523 205 HG21 VAL 30 1HG2 VAL 30 -5.854 -8.182 -0.737 206 HG22 VAL 30 2HG2 VAL 30 -5.945 -6.720 -1.742 207 HG23 VAL 30 3HG2 VAL 30 -4.692 -7.931 -2.047 208 H ARG 31 H ARG 31 -4.447 -3.478 0.317 209 HA ARG 31 HA ARG 31 -6.957 -3.043 -1.171 210 HB2 ARG 31 2HB ARG 31 -6.611 -1.940 1.383 211 HB3 ARG 31 3HB ARG 31 -6.026 -0.658 0.330 212 HG2 ARG 31 2HG ARG 31 -8.319 -1.299 -1.005 213 HG3 ARG 31 3HG ARG 31 -8.763 -1.852 0.613 214 HD2 ARG 31 2HD ARG 31 -9.492 0.371 0.589 215 HD3 ARG 31 3HD ARG 31 -7.920 0.494 1.404 216 HE ARG 31 HE ARG 31 -7.593 0.792 -1.424 217 HH11 ARG 31 1HH1 ARG 31 -7.843 4.298 -1.577 218 HH12 ARG 31 2HH1 ARG 31 -7.488 2.844 -2.447 219 HH21 ARG 31 1HH2 ARG 31 -8.687 4.126 0.656 220 HH22 ARG 31 2HH2 ARG 31 -8.799 2.566 1.385 221 H ARG 32 H ARG 32 -6.147 -2.690 -3.202 222 HA ARG 32 HA ARG 32 -3.492 -1.462 -3.489 223 HB2 ARG 32 2HB ARG 32 -3.822 -1.619 -5.863 224 HB3 ARG 32 3HB ARG 32 -4.215 -3.146 -5.085 225 HG2 ARG 32 2HG ARG 32 -5.962 -3.017 -6.536 226 HG3 ARG 32 3HG ARG 32 -6.717 -2.192 -5.169 227 HD2 ARG 32 2HD ARG 32 -6.002 0.000 -6.222 228 HD3 ARG 32 3HD ARG 32 -5.380 -0.925 -7.601 229 HE ARG 32 HE ARG 32 -8.062 -1.686 -7.162 230 HH11 ARG 32 1HH1 ARG 32 -9.559 0.751 -9.240 231 HH12 ARG 32 2HH1 ARG 32 -9.795 -0.745 -8.416 232 HH21 ARG 32 1HH2 ARG 32 -7.432 1.841 -9.119 233 HH22 ARG 32 2HH2 ARG 32 -6.192 1.117 -8.149 234 H LEU 33 H LEU 33 -3.095 0.710 -3.702 235 HA LEU 33 HA LEU 33 -5.246 2.584 -3.399 236 HB2 LEU 33 2HB LEU 33 -2.216 2.687 -3.884 237 HB3 LEU 33 3HB LEU 33 -3.195 4.120 -3.782 238 HG LEU 33 HG LEU 33 -2.352 3.914 -1.631 239 HD11 LEU 33 1HD1 LEU 33 -4.200 3.671 -0.218 240 HD12 LEU 33 2HD1 LEU 33 -4.987 3.958 -1.758 241 HD13 LEU 33 3HD1 LEU 33 -4.870 2.300 -1.131 242 HD21 LEU 33 1HD2 LEU 33 -2.194 1.943 -0.261 243 HD22 LEU 33 2HD2 LEU 33 -2.912 0.936 -1.517 244 HD23 LEU 33 3HD2 LEU 33 -1.332 1.712 -1.782 245 HA PRO 34 HA PRO 34 -6.052 3.306 -7.645 246 HB2 PRO 34 2HB PRO 34 -6.171 6.043 -7.910 247 HB3 PRO 34 3HB PRO 34 -7.432 5.055 -7.107 248 HG2 PRO 34 2HG PRO 34 -5.131 6.538 -5.815 249 HG3 PRO 34 3HG PRO 34 -6.864 6.575 -5.349 250 HD2 PRO 34 2HD PRO 34 -5.131 4.974 -4.047 251 HD3 PRO 34 3HD PRO 34 -6.757 4.369 -4.465 252 H CYS 35 H CYS 35 -3.062 4.502 -6.215 253 HA CYS 35 HA CYS 35 -1.927 5.373 -8.848 254 HB2 CYS 35 2HB CYS 35 -0.389 6.477 -7.604 255 HB3 CYS 35 3HB CYS 35 -1.806 6.647 -6.570 256 H MET 36 H MET 36 -2.691 2.599 -8.430 257 HA MET 36 HA MET 36 -1.962 0.497 -8.216 258 HB2 MET 36 2HB MET 36 -0.188 1.701 -10.373 259 HB3 MET 36 3HB MET 36 -0.325 -0.044 -10.107 260 HG2 MET 36 2HG MET 36 -2.682 1.801 -10.656 261 HG3 MET 36 3HG MET 36 -1.864 0.842 -11.886 262 HE1 MET 36 1HE MET 36 -2.834 -2.796 -11.171 263 HE2 MET 36 2HE MET 36 -2.149 -1.627 -12.321 264 HE3 MET 36 3HE MET 36 -1.313 -1.965 -10.788 265 H HIS 37 H HIS 37 -1.198 0.984 -5.997 266 HA HIS 37 HA HIS 37 1.389 -0.358 -5.754 267 HB2 HIS 37 1HB HIS 37 0.770 2.398 -4.626 268 HB3 HIS 37 2HB HIS 37 1.782 1.277 -3.730 269 HD2 HIS 37 2HD HIS 37 4.063 0.378 -4.905 270 HE1 HIS 37 1HE HIS 37 4.486 3.656 -7.593 271 HE2 HIS 37 2HE HIS 37 5.669 1.642 -6.550 272 H LEU 38 H LEU 38 0.876 -2.118 -4.440 273 HA LEU 38 HA LEU 38 -1.588 -1.946 -2.816 274 HB2 LEU 38 2HB LEU 38 -2.048 -4.110 -3.046 275 HB3 LEU 38 3HB LEU 38 -1.393 -3.738 -4.636 276 HG LEU 38 HG LEU 38 0.139 -5.087 -2.344 277 HD11 LEU 38 1HD1 LEU 38 -0.074 -7.113 -3.674 278 HD12 LEU 38 2HD1 LEU 38 -1.664 -6.481 -3.198 279 HD13 LEU 38 3HD1 LEU 38 -1.077 -6.249 -4.863 280 HD21 LEU 38 1HD2 LEU 38 0.845 -4.720 -5.293 281 HD22 LEU 38 2HD2 LEU 38 1.560 -3.797 -3.956 282 HD23 LEU 38 3HD2 LEU 38 1.823 -5.526 -4.045 283 H PHE 39 H PHE 39 -1.492 -2.080 -0.558 284 HA PHE 39 HA PHE 39 1.084 -3.008 0.580 285 HB2 PHE 39 2HB PHE 39 -0.003 -0.180 0.759 286 HB3 PHE 39 3HB PHE 39 1.207 -0.800 1.867 287 HD1 PHE 39 1HD PHE 39 1.118 1.569 -0.328 288 HD2 PHE 39 2HD PHE 39 3.087 -2.259 0.005 289 HE1 PHE 39 1HE PHE 39 3.011 2.406 -1.693 290 HE2 PHE 39 2HE PHE 39 4.950 -1.424 -1.350 291 HZ PHE 39 HZ PHE 39 4.933 0.909 -2.210 292 H HIS 40 H HIS 40 -0.827 -4.583 1.139 293 HA HIS 40 HA HIS 40 -2.176 -5.507 2.766 294 HB2 HIS 40 1HB HIS 40 -0.299 -3.877 4.311 295 HB3 HIS 40 2HB HIS 40 -1.858 -3.867 5.082 296 HD2 HIS 40 2HD HIS 40 -2.578 -7.040 4.522 297 HE1 HIS 40 1HE HIS 40 0.813 -7.691 7.004 298 HE2 HIS 40 2HE HIS 40 -1.300 -8.752 6.006 299 H GLN 41 H GLN 41 -3.921 -4.414 4.590 300 HA GLN 41 HA GLN 41 -5.265 -2.168 3.147 301 HB2 GLN 41 2HB GLN 41 -6.525 -4.210 3.009 302 HB3 GLN 41 3HB GLN 41 -6.386 -4.505 4.737 303 HG2 GLN 41 2HG GLN 41 -7.695 -1.938 3.864 304 HG3 GLN 41 3HG GLN 41 -8.575 -3.445 3.597 305 HE21 GLN 41 1HE2 GLN 41 -8.886 -4.955 5.546 306 HE22 GLN 41 2HE2 GLN 41 -9.072 -4.149 7.084 307 H VAL 42 H VAL 42 -5.165 -3.583 6.460 308 HA VAL 42 HA VAL 42 -5.733 -1.234 7.815 309 HB VAL 42 HB VAL 42 -3.961 -3.547 8.719 310 HG11 VAL 42 1HG1 VAL 42 -3.744 -1.630 10.259 311 HG12 VAL 42 2HG1 VAL 42 -5.512 -1.480 10.344 312 HG13 VAL 42 3HG1 VAL 42 -4.697 -2.914 11.011 313 HG21 VAL 42 1HG2 VAL 42 -6.170 -4.362 7.993 314 HG22 VAL 42 2HG2 VAL 42 -6.082 -4.390 9.754 315 HG23 VAL 42 3HG2 VAL 42 -6.971 -3.086 8.934 316 H CYS 43 H CYS 43 -2.481 -2.427 6.808 317 HA CYS 43 HA CYS 43 -0.825 -0.482 8.068 318 HB2 CYS 43 2HB CYS 43 -0.603 -1.957 5.418 319 HB3 CYS 43 3HB CYS 43 0.607 -0.947 6.153 320 H VAL 44 H VAL 44 -2.149 -0.411 4.702 321 HA VAL 44 HA VAL 44 -1.388 2.068 3.935 322 HB VAL 44 HB VAL 44 -4.246 1.021 3.518 323 HG11 VAL 44 1HG1 VAL 44 -2.567 2.933 1.860 324 HG12 VAL 44 2HG1 VAL 44 -4.182 2.283 1.449 325 HG13 VAL 44 3HG1 VAL 44 -3.993 3.362 2.831 326 HG21 VAL 44 1HG2 VAL 44 -1.695 0.433 2.008 327 HG22 VAL 44 2HG2 VAL 44 -2.796 -0.714 2.810 328 HG23 VAL 44 3HG2 VAL 44 -3.322 0.118 1.355 329 H ASP 45 H ASP 45 -4.341 1.281 5.866 330 HA ASP 45 HA ASP 45 -5.004 4.083 6.238 331 HB2 ASP 45 2HB ASP 45 -6.649 2.183 5.889 332 HB3 ASP 45 3HB ASP 45 -6.275 1.638 7.529 333 H GLN 46 H GLN 46 -2.450 3.413 7.247 334 HA GLN 46 HA GLN 46 -2.787 4.416 9.988 335 HB2 GLN 46 2HB GLN 46 -2.422 1.939 10.087 336 HB3 GLN 46 3HB GLN 46 -0.879 2.144 9.250 337 HG2 GLN 46 2HG GLN 46 -0.018 3.519 11.086 338 HG3 GLN 46 3HG GLN 46 -1.593 3.467 11.899 339 HE21 GLN 46 1HE2 GLN 46 -2.430 1.217 12.506 340 HE22 GLN 46 2HE2 GLN 46 -1.204 0.045 12.974 341 H ARG 47 H ARG 47 -0.308 3.500 7.488 342 HA ARG 47 HA ARG 47 1.272 5.826 8.214 343 HB2 ARG 47 2HB ARG 47 2.245 3.751 7.457 344 HB3 ARG 47 3HB ARG 47 1.568 4.000 5.829 345 HG2 ARG 47 2HG ARG 47 2.962 6.031 5.563 346 HG3 ARG 47 3HG ARG 47 3.562 5.840 7.230 347 HD2 ARG 47 2HD ARG 47 4.459 3.591 6.604 348 HD3 ARG 47 3HD ARG 47 3.935 3.874 4.926 349 HE ARG 47 HE ARG 47 5.604 6.005 5.831 350 HH11 ARG 47 1HH1 ARG 47 8.671 4.584 4.777 351 HH12 ARG 47 2HH1 ARG 47 7.905 6.014 5.369 352 HH21 ARG 47 1HH2 ARG 47 7.391 2.561 4.477 353 HH22 ARG 47 2HH2 ARG 47 5.732 2.617 4.800 354 H LEU 48 H LEU 48 -1.206 5.255 5.706 355 HA LEU 48 HA LEU 48 -0.601 7.940 4.562 356 HB2 LEU 48 2HB LEU 48 -2.492 5.740 3.627 357 HB3 LEU 48 3HB LEU 48 -2.322 7.307 2.873 358 HG LEU 48 HG LEU 48 -1.180 5.663 1.588 359 HD11 LEU 48 1HD1 LEU 48 0.875 7.463 2.934 360 HD12 LEU 48 2HD1 LEU 48 0.968 6.753 1.312 361 HD13 LEU 48 3HD1 LEU 48 -0.267 7.971 1.669 362 HD21 LEU 48 1HD2 LEU 48 0.676 4.360 2.261 363 HD22 LEU 48 2HD2 LEU 48 0.817 5.190 3.816 364 HD23 LEU 48 3HD2 LEU 48 -0.570 4.120 3.500 365 H ILE 49 H ILE 49 -1.685 7.638 7.338 366 HA ILE 49 HA ILE 49 -4.453 8.569 7.081 367 HB ILE 49 HB ILE 49 -2.429 8.386 9.342 368 HG12 ILE 49 2HG1 ILE 49 -3.552 6.296 8.549 369 HG13 ILE 49 3HG1 ILE 49 -3.858 6.690 10.238 370 HG21 ILE 49 1HG2 ILE 49 -5.178 9.674 9.425 371 HG22 ILE 49 2HG2 ILE 49 -4.367 9.013 10.863 372 HG23 ILE 49 3HG2 ILE 49 -3.608 10.327 9.972 373 HD11 ILE 49 1HD1 ILE 49 -5.793 7.101 7.912 374 HD12 ILE 49 2HD1 ILE 49 -5.889 5.873 9.178 375 HD13 ILE 49 3HD1 ILE 49 -6.114 7.570 9.601 376 H THR 50 H THR 50 -4.986 10.596 6.545 377 HA THR 50 HA THR 50 -4.991 12.833 6.311 378 HB THR 50 HB THR 50 -2.337 12.963 7.792 379 HG1 THR 50 1HG THR 50 -4.043 12.050 8.979 380 HG21 THR 50 1HG2 THR 50 -4.439 15.079 7.191 381 HG22 THR 50 2HG2 THR 50 -3.044 15.273 8.273 382 HG23 THR 50 3HG2 THR 50 -2.782 15.026 6.539 383 H ASN 51 H ASN 51 -1.751 11.414 5.623 384 HA ASN 51 HA ASN 51 -1.323 13.181 3.342 385 HB2 ASN 51 2HB ASN 51 0.407 11.810 4.834 386 HB3 ASN 51 3HB ASN 51 0.056 10.512 3.682 387 HD21 ASN 51 1HD2 ASN 51 2.473 12.492 4.210 388 HD22 ASN 51 2HD2 ASN 51 2.800 13.079 2.589 389 H LYS 52 H LYS 52 -1.256 12.253 1.026 390 HA LYS 52 HA LYS 52 -2.665 9.821 0.500 391 HB2 LYS 52 2HB LYS 52 -4.706 10.883 -0.562 392 HB3 LYS 52 3HB LYS 52 -4.652 10.867 1.183 393 HG2 LYS 52 2HG LYS 52 -3.624 13.337 0.836 394 HG3 LYS 52 3HG LYS 52 -4.492 13.217 -0.694 395 HD2 LYS 52 2HD LYS 52 -6.594 12.819 0.454 396 HD3 LYS 52 3HD LYS 52 -5.786 12.603 2.011 397 HE2 LYS 52 2HE LYS 52 -5.808 15.199 0.423 398 HE3 LYS 52 3HE LYS 52 -6.897 14.807 1.767 399 HZ1 LYS 52 1HZ LYS 52 -4.941 14.554 3.180 400 HZ2 LYS 52 2HZ LYS 52 -3.959 14.997 1.964 401 HZ3 LYS 52 3HZ LYS 52 -5.044 16.081 2.566 402 H LYS 53 H LYS 53 -0.315 10.270 -0.444 403 HA LYS 53 HA LYS 53 -0.764 10.561 -3.299 404 HB2 LYS 53 2HB LYS 53 1.225 12.418 -1.904 405 HB3 LYS 53 3HB LYS 53 1.338 11.937 -3.612 406 HG2 LYS 53 2HG LYS 53 -1.211 12.571 -3.631 407 HG3 LYS 53 3HG LYS 53 -0.788 13.611 -2.271 408 HD2 LYS 53 2HD LYS 53 0.650 14.943 -3.733 409 HD3 LYS 53 3HD LYS 53 0.570 13.681 -5.005 410 HE2 LYS 53 2HE LYS 53 -2.006 13.906 -4.688 411 HE3 LYS 53 3HE LYS 53 -1.692 15.482 -4.008 412 HZ1 LYS 53 1HZ LYS 53 -0.884 14.533 -6.687 413 HZ2 LYS 53 2HZ LYS 53 -2.270 15.303 -6.359 414 HZ3 LYS 53 3HZ LYS 53 -0.829 16.115 -6.154 415 H CYS 54 H CYS 54 0.606 9.131 -4.364 416 HA CYS 54 HA CYS 54 2.579 7.371 -2.911 417 HB2 CYS 54 2HB CYS 54 1.825 7.932 -5.736 418 HB3 CYS 54 3HB CYS 54 3.232 6.918 -5.228 419 HA PRO 55 HA PRO 55 5.720 10.521 -3.439 420 HB2 PRO 55 2HB PRO 55 7.994 8.958 -3.426 421 HB3 PRO 55 3HB PRO 55 7.054 9.368 -1.962 422 HG2 PRO 55 2HG PRO 55 6.946 6.817 -3.579 423 HG3 PRO 55 3HG PRO 55 6.970 7.013 -1.805 424 HD2 PRO 55 2HD PRO 55 4.663 6.590 -3.224 425 HD3 PRO 55 3HD PRO 55 4.695 7.587 -1.737 426 H ILE 56 H ILE 56 6.580 7.561 -5.381 427 HA ILE 56 HA ILE 56 6.954 9.435 -7.657 428 HB ILE 56 HB ILE 56 8.083 6.649 -7.224 429 HG12 ILE 56 2HG1 ILE 56 9.165 8.289 -5.766 430 HG13 ILE 56 3HG1 ILE 56 10.251 7.769 -7.044 431 HG21 ILE 56 1HG2 ILE 56 8.378 8.619 -9.534 432 HG22 ILE 56 2HG2 ILE 56 9.489 7.256 -9.252 433 HG23 ILE 56 3HG2 ILE 56 7.786 6.951 -9.594 434 HD11 ILE 56 1HD1 ILE 56 8.747 10.426 -6.953 435 HD12 ILE 56 2HD1 ILE 56 10.473 10.168 -6.686 436 HD13 ILE 56 3HD1 ILE 56 9.791 9.891 -8.293 437 H CYS 57 H CYS 57 4.700 9.523 -7.642 438 HA CYS 57 HA CYS 57 3.509 7.981 -9.920 439 HB2 CYS 57 2HB CYS 57 3.068 7.276 -7.200 440 HB3 CYS 57 3HB CYS 57 1.534 7.859 -7.907 441 H ARG 58 H ARG 58 2.921 10.206 -7.097 442 HA ARG 58 HA ARG 58 2.434 12.414 -7.088 443 HB2 ARG 58 2HB ARG 58 3.374 12.453 -9.546 444 HB3 ARG 58 3HB ARG 58 1.665 12.477 -10.010 445 HG2 ARG 58 2HG ARG 58 1.471 14.521 -8.392 446 HG3 ARG 58 3HG ARG 58 3.241 14.536 -8.443 447 HD2 ARG 58 2HD ARG 58 3.083 14.634 -10.967 448 HD3 ARG 58 3HD ARG 58 1.318 14.725 -10.796 449 HE ARG 58 HE ARG 58 2.903 16.732 -9.344 450 HH11 ARG 58 1HH1 ARG 58 1.726 19.381 -11.340 451 HH12 ARG 58 2HH1 ARG 58 2.605 18.961 -9.920 452 HH21 ARG 58 1HH2 ARG 58 0.816 17.687 -12.715 453 HH22 ARG 58 2HH2 ARG 58 1.065 16.034 -12.287 454 H VAL 59 H VAL 59 0.393 9.911 -8.197 455 HA VAL 59 HA VAL 59 -2.064 11.363 -8.506 456 HB VAL 59 HB VAL 59 -1.271 8.444 -8.210 457 HG11 VAL 59 1HG1 VAL 59 -4.055 9.559 -8.761 458 HG12 VAL 59 2HG1 VAL 59 -3.572 7.863 -8.992 459 HG13 VAL 59 3HG1 VAL 59 -3.560 8.563 -7.375 460 HG21 VAL 59 1HG2 VAL 59 -1.843 8.331 -10.601 461 HG22 VAL 59 2HG2 VAL 59 -2.293 10.048 -10.587 462 HG23 VAL 59 3HG2 VAL 59 -0.605 9.562 -10.321 463 H ASP 60 H ASP 60 -3.624 11.739 -7.014 464 HA ASP 60 HA ASP 60 -3.012 11.513 -4.237 465 HB2 ASP 60 2HB ASP 60 -5.595 12.234 -5.713 466 HB3 ASP 60 3HB ASP 60 -5.341 12.418 -3.970 467 H ILE 61 H ILE 61 -3.585 9.970 -2.821 468 HA ILE 61 HA ILE 61 -4.363 7.385 -3.865 469 HB ILE 61 HB ILE 61 -3.599 8.369 -1.083 470 HG12 ILE 61 2HG1 ILE 61 -1.816 8.913 -2.525 471 HG13 ILE 61 3HG1 ILE 61 -1.321 7.456 -1.678 472 HG21 ILE 61 1HG2 ILE 61 -3.629 5.606 -2.284 473 HG22 ILE 61 2HG2 ILE 61 -2.806 6.039 -0.756 474 HG23 ILE 61 3HG2 ILE 61 -4.567 6.190 -0.888 475 HD11 ILE 61 1HD1 ILE 61 -0.749 7.323 -4.015 476 HD12 ILE 61 2HD1 ILE 61 -2.055 6.163 -3.721 477 HD13 ILE 61 3HD1 ILE 61 -2.380 7.724 -4.521 478 H GLU 62 H GLU 62 -5.994 9.970 -2.402 479 HA GLU 62 HA GLU 62 -8.378 8.336 -1.796 480 HB2 GLU 62 2HB GLU 62 -7.190 8.898 0.333 481 HB3 GLU 62 3HB GLU 62 -7.187 10.603 -0.137 482 HG2 GLU 62 2HG GLU 62 -9.726 10.517 -0.169 483 HG3 GLU 62 3HG GLU 62 -9.621 8.872 0.470 484 H ALA 63 H ALA 63 -10.326 9.593 -2.296 485 HA ALA 63 HA ALA 63 -9.850 12.082 -3.844 486 HB1 ALA 63 1HB ALA 63 -9.834 10.195 -5.445 487 HB2 ALA 63 2HB ALA 63 -11.396 9.630 -4.801 488 HB3 ALA 63 3HB ALA 63 -11.290 11.193 -5.640 489 H GLN 64 H GLN 64 -10.598 12.087 -1.306 490 HA GLN 64 HA GLN 64 -12.123 12.940 0.109 491 HB2 GLN 64 2HB GLN 64 -13.065 13.961 -2.162 492 HB3 GLN 64 3HB GLN 64 -14.390 12.834 -1.894 493 HG2 GLN 64 2HG GLN 64 -13.438 14.938 0.106 494 HG3 GLN 64 3HG GLN 64 -14.707 15.212 -1.092 495 HE21 GLN 64 1HE2 GLN 64 -14.516 14.786 2.126 496 HE22 GLN 64 2HE2 GLN 64 -15.832 13.642 2.349 497 H LEU 65 H LEU 65 -14.107 12.041 1.411 498 HA LEU 65 HA LEU 65 -14.924 9.377 0.652 499 HB2 LEU 65 2HB LEU 65 -14.315 8.264 2.640 500 HB3 LEU 65 3HB LEU 65 -12.840 8.969 2.014 501 HG LEU 65 HG LEU 65 -14.460 10.300 4.246 502 HD11 LEU 65 1HD1 LEU 65 -12.961 9.190 5.833 503 HD12 LEU 65 2HD1 LEU 65 -13.960 8.026 4.953 504 HD13 LEU 65 3HD1 LEU 65 -12.249 8.243 4.508 505 HD21 LEU 65 1HD2 LEU 65 -12.277 11.292 4.832 506 HD22 LEU 65 2HD2 LEU 65 -11.512 10.448 3.474 507 HD23 LEU 65 3HD2 LEU 65 -12.714 11.722 3.175 508 HA PRO 66 HA PRO 66 -18.528 11.195 2.419 509 HB2 PRO 66 2HB PRO 66 -20.170 9.056 2.845 510 HB3 PRO 66 3HB PRO 66 -19.674 9.581 1.209 511 HG2 PRO 66 2HG PRO 66 -18.419 7.391 2.899 512 HG3 PRO 66 3HG PRO 66 -18.968 7.291 1.195 513 HD2 PRO 66 2HD PRO 66 -16.366 7.776 1.835 514 HD3 PRO 66 3HD PRO 66 -17.138 8.585 0.436 515 H SER 67 H SER 67 -17.237 11.929 4.287 516 HA SER 67 HA SER 67 -18.627 11.178 6.694 517 HB2 SER 67 2HB SER 67 -16.299 9.816 6.401 518 HB3 SER 67 3HB SER 67 -15.638 11.326 7.041 519 HG SER 67 HG SER 67 -17.095 11.035 8.856 520 H GLU 68 H GLU 68 -18.318 13.042 8.275 521 HA GLU 68 HA GLU 68 -17.034 15.438 7.191 522 HB2 GLU 68 2HB GLU 68 -19.146 16.763 7.446 523 HB3 GLU 68 3HB GLU 68 -19.083 15.675 6.065 524 HG2 GLU 68 2HG GLU 68 -20.482 14.009 7.351 525 HG3 GLU 68 3HG GLU 68 -20.667 15.215 8.628 526 H SER 69 H SER 69 -15.844 14.499 8.916 527 HA SER 69 HA SER 69 -15.323 13.592 10.849 528 HB2 SER 69 2HB SER 69 -16.411 14.626 13.027 529 HB3 SER 69 3HB SER 69 -15.037 15.363 12.204 530 HG SER 69 HG SER 69 -17.673 16.102 11.590 Start of MODEL 4 1 H1 MET 1 H1 MET 1 20.798 -28.848 7.598 2 H2 MET 1 H2 MET 1 19.857 -28.281 8.827 3 H3 MET 1 H3 MET 1 21.429 -27.807 8.706 4 HA MET 1 HA MET 1 21.186 -29.378 10.461 5 HB2 MET 1 2HB MET 1 19.970 -31.074 8.278 6 HB3 MET 1 3HB MET 1 20.755 -31.805 9.696 7 HG2 MET 1 2HG MET 1 19.345 -30.568 11.217 8 HG3 MET 1 3HG MET 1 18.562 -29.706 9.892 9 HE1 MET 1 1HE MET 1 16.008 -32.084 8.456 10 HE2 MET 1 2HE MET 1 16.419 -30.399 8.832 11 HE3 MET 1 3HE MET 1 17.484 -31.362 7.776 12 H LYS 2 H LYS 2 22.265 -31.166 7.430 13 HA LYS 2 HA LYS 2 24.952 -31.021 8.697 14 HB2 LYS 2 2HB LYS 2 23.235 -33.214 8.395 15 HB3 LYS 2 3HB LYS 2 24.375 -33.438 7.085 16 HG2 LYS 2 2HG LYS 2 25.202 -32.849 9.961 17 HG3 LYS 2 3HG LYS 2 24.953 -34.483 9.342 18 HD2 LYS 2 2HD LYS 2 26.738 -34.292 7.763 19 HD3 LYS 2 3HD LYS 2 26.912 -32.544 8.052 20 HE2 LYS 2 2HE LYS 2 27.603 -32.932 10.358 21 HE3 LYS 2 3HE LYS 2 27.293 -34.668 10.209 22 HZ1 LYS 2 1HZ LYS 2 29.329 -33.194 8.657 23 HZ2 LYS 2 2HZ LYS 2 29.637 -34.103 9.994 24 HZ3 LYS 2 3HZ LYS 2 29.070 -34.821 8.629 25 H GLN 3 H GLN 3 25.026 -29.022 7.355 26 HA GLN 3 HA GLN 3 25.637 -27.827 5.492 27 HB2 GLN 3 2HB GLN 3 27.384 -30.124 5.703 28 HB3 GLN 3 3HB GLN 3 27.149 -29.780 4.001 29 HG2 GLN 3 2HG GLN 3 27.750 -27.459 5.844 30 HG3 GLN 3 3HG GLN 3 29.042 -28.601 5.490 31 HE21 GLN 3 1HE2 GLN 3 30.329 -27.992 3.773 32 HE22 GLN 3 2HE2 GLN 3 29.716 -27.105 2.387 33 H ASP 4 H ASP 4 23.482 -27.671 5.141 34 HA ASP 4 HA ASP 4 22.862 -28.304 2.394 35 HB2 ASP 4 2HB ASP 4 21.789 -30.202 3.550 36 HB3 ASP 4 3HB ASP 4 21.047 -29.096 4.722 37 H GLY 5 H GLY 5 21.734 -26.585 1.621 38 HA2 GLY 5 2HA GLY 5 20.489 -24.552 3.301 39 HA3 GLY 5 3HA GLY 5 21.985 -24.008 2.508 40 H GLU 6 H GLU 6 19.039 -23.239 2.060 41 HA GLU 6 HA GLU 6 19.014 -23.413 -0.832 42 HB2 GLU 6 2HB GLU 6 17.534 -25.317 0.709 43 HB3 GLU 6 3HB GLU 6 16.359 -24.102 0.194 44 HG2 GLU 6 2HG GLU 6 17.143 -24.360 -2.157 45 HG3 GLU 6 3HG GLU 6 18.329 -25.559 -1.624 46 H GLU 7 H GLU 7 16.644 -22.155 -1.350 47 HA GLU 7 HA GLU 7 16.273 -19.987 0.580 48 HB2 GLU 7 2HB GLU 7 18.145 -19.496 -1.320 49 HB3 GLU 7 3HB GLU 7 16.711 -19.185 -2.288 50 HG2 GLU 7 2HG GLU 7 16.944 -17.074 -1.459 51 HG3 GLU 7 3HG GLU 7 16.058 -17.718 -0.082 52 H GLY 8 H GLY 8 14.425 -18.479 -0.620 53 HA2 GLY 8 2HA GLY 8 12.323 -20.370 -1.539 54 HA3 GLY 8 3HA GLY 8 12.081 -18.732 -0.904 55 H THR 9 H THR 9 10.942 -17.860 -2.690 56 HA THR 9 HA THR 9 12.561 -17.150 -4.960 57 HB THR 9 HB THR 9 11.768 -19.407 -5.616 58 HG1 THR 9 1HG THR 9 10.853 -18.711 -7.581 59 HG21 THR 9 1HG2 THR 9 8.970 -18.208 -5.445 60 HG22 THR 9 2HG2 THR 9 9.397 -19.823 -6.048 61 HG23 THR 9 3HG2 THR 9 9.638 -19.428 -4.336 62 H GLU 10 H GLU 10 10.943 -15.930 -6.490 63 HA GLU 10 HA GLU 10 9.561 -14.239 -6.905 64 HB2 GLU 10 2HB GLU 10 7.953 -15.613 -5.311 65 HB3 GLU 10 3HB GLU 10 8.281 -14.304 -4.163 66 HG2 GLU 10 2HG GLU 10 6.286 -13.728 -5.361 67 HG3 GLU 10 3HG GLU 10 7.565 -12.663 -5.957 68 H GLU 11 H GLU 11 10.057 -12.062 -6.953 69 HA GLU 11 HA GLU 11 10.712 -10.711 -4.493 70 HB2 GLU 11 2HB GLU 11 12.904 -11.813 -4.996 71 HB3 GLU 11 3HB GLU 11 12.938 -11.013 -6.561 72 HG2 GLU 11 2HG GLU 11 14.364 -9.878 -4.908 73 HG3 GLU 11 3HG GLU 11 13.088 -8.806 -5.456 74 H ASP 12 H ASP 12 8.642 -9.828 -5.553 75 HA ASP 12 HA ASP 12 9.456 -7.403 -6.963 76 HB2 ASP 12 2HB ASP 12 8.652 -9.327 -8.628 77 HB3 ASP 12 3HB ASP 12 7.048 -8.813 -8.092 78 H THR 13 H THR 13 7.445 -5.866 -6.929 79 HA THR 13 HA THR 13 6.198 -6.074 -4.248 80 HB THR 13 HB THR 13 6.110 -3.821 -6.296 81 HG1 THR 13 1HG THR 13 8.189 -4.193 -5.631 82 HG21 THR 13 1HG2 THR 13 4.318 -3.609 -4.605 83 HG22 THR 13 2HG2 THR 13 5.486 -3.909 -3.300 84 HG23 THR 13 3HG2 THR 13 5.597 -2.432 -4.280 85 H GLU 14 H GLU 14 5.288 -8.123 -5.433 86 HA GLU 14 HA GLU 14 2.863 -7.570 -6.990 87 HB2 GLU 14 2HB GLU 14 4.490 -9.538 -7.341 88 HB3 GLU 14 3HB GLU 14 3.927 -10.154 -5.789 89 HG2 GLU 14 2HG GLU 14 2.652 -11.335 -7.382 90 HG3 GLU 14 3HG GLU 14 1.540 -10.115 -6.781 91 H GLU 15 H GLU 15 3.868 -8.508 -3.659 92 HA GLU 15 HA GLU 15 1.239 -7.753 -2.697 93 HB2 GLU 15 2HB GLU 15 1.459 -10.372 -3.700 94 HB3 GLU 15 3HB GLU 15 1.598 -10.609 -1.967 95 HG2 GLU 15 2HG GLU 15 -0.506 -9.524 -1.566 96 HG3 GLU 15 3HG GLU 15 -0.569 -8.848 -3.198 97 H LYS 16 H LYS 16 3.641 -6.703 -2.111 98 HA LYS 16 HA LYS 16 4.431 -7.847 0.533 99 HB2 LYS 16 2HB LYS 16 6.068 -6.029 -1.282 100 HB3 LYS 16 3HB LYS 16 6.599 -6.813 0.219 101 HG2 LYS 16 2HG LYS 16 6.018 -9.043 -0.924 102 HG3 LYS 16 3HG LYS 16 5.835 -8.155 -2.409 103 HD2 LYS 16 2HD LYS 16 8.383 -8.438 -0.753 104 HD3 LYS 16 3HD LYS 16 8.007 -9.247 -2.286 105 HE2 LYS 16 2HE LYS 16 7.785 -6.957 -3.328 106 HE3 LYS 16 3HE LYS 16 8.342 -6.276 -1.804 107 HZ1 LYS 16 1HZ LYS 16 10.426 -7.659 -2.160 108 HZ2 LYS 16 2HZ LYS 16 9.868 -8.164 -3.537 109 HZ3 LYS 16 3HZ LYS 16 10.194 -6.575 -3.373 110 H CYS 17 H CYS 17 3.859 -6.667 2.319 111 HA CYS 17 HA CYS 17 2.380 -4.114 2.099 112 HB2 CYS 17 2HB CYS 17 1.938 -5.912 3.799 113 HB3 CYS 17 3HB CYS 17 3.523 -5.589 4.489 114 H THR 18 H THR 18 3.602 -2.399 1.386 115 HA THR 18 HA THR 18 6.431 -2.232 2.173 116 HB THR 18 HB THR 18 6.133 -0.092 0.697 117 HG1 THR 18 1HG THR 18 4.081 -1.081 -0.702 118 HG21 THR 18 1HG2 THR 18 5.696 -2.871 -0.489 119 HG22 THR 18 2HG2 THR 18 6.298 -1.443 -1.359 120 HG23 THR 18 3HG2 THR 18 7.265 -2.160 -0.059 121 H ILE 19 H ILE 19 3.863 -1.900 3.996 122 HA ILE 19 HA ILE 19 4.484 0.721 5.149 123 HB ILE 19 HB ILE 19 2.140 -1.051 5.750 124 HG12 ILE 19 2HG1 ILE 19 2.719 1.033 3.637 125 HG13 ILE 19 3HG1 ILE 19 1.852 -0.530 3.519 126 HG21 ILE 19 1HG2 ILE 19 1.326 1.075 6.807 127 HG22 ILE 19 2HG2 ILE 19 2.834 0.557 7.538 128 HG23 ILE 19 3HG2 ILE 19 2.847 1.856 6.334 129 HD11 ILE 19 1HD1 ILE 19 -0.007 0.335 4.637 130 HD12 ILE 19 2HD1 ILE 19 0.787 1.929 4.888 131 HD13 ILE 19 3HD1 ILE 19 0.395 1.382 3.266 132 H CYS 20 H CYS 20 3.621 -2.572 6.261 133 HA CYS 20 HA CYS 20 5.130 -2.348 8.811 134 HB2 CYS 20 2HB CYS 20 4.155 -4.583 9.140 135 HB3 CYS 20 3HB CYS 20 2.940 -3.331 8.877 136 H LEU 21 H LEU 21 6.159 -2.718 5.705 137 HA LEU 21 HA LEU 21 8.021 -3.573 4.769 138 HB2 LEU 21 2HB LEU 21 8.967 -3.344 7.651 139 HB3 LEU 21 3HB LEU 21 10.039 -3.547 6.268 140 HG LEU 21 HG LEU 21 8.107 -1.198 6.501 141 HD11 LEU 21 1HD1 LEU 21 11.025 -1.363 7.352 142 HD12 LEU 21 2HD1 LEU 21 10.052 0.123 7.260 143 HD13 LEU 21 3HD1 LEU 21 9.621 -1.142 8.420 144 HD21 LEU 21 1HD2 LEU 21 9.650 -0.162 4.870 145 HD22 LEU 21 2HD2 LEU 21 10.623 -1.645 4.836 146 HD23 LEU 21 3HD2 LEU 21 8.956 -1.652 4.218 147 H SER 22 H SER 22 6.198 -5.554 4.992 148 HA SER 22 HA SER 22 7.932 -7.881 5.188 149 HB2 SER 22 2HB SER 22 6.057 -9.015 6.663 150 HB3 SER 22 3HB SER 22 7.371 -8.100 7.418 151 HG SER 22 HG SER 22 6.014 -6.353 7.657 152 H ILE 23 H ILE 23 6.827 -9.832 4.277 153 HA ILE 23 HA ILE 23 5.012 -8.963 2.134 154 HB ILE 23 HB ILE 23 6.506 -11.600 2.523 155 HG12 ILE 23 2HG1 ILE 23 7.812 -10.543 0.522 156 HG13 ILE 23 3HG1 ILE 23 7.207 -8.996 1.116 157 HG21 ILE 23 1HG2 ILE 23 4.603 -11.835 1.025 158 HG22 ILE 23 2HG2 ILE 23 4.925 -10.326 0.239 159 HG23 ILE 23 3HG2 ILE 23 6.023 -11.719 0.014 160 HD11 ILE 23 1HD1 ILE 23 8.881 -10.928 2.770 161 HD12 ILE 23 2HD1 ILE 23 9.553 -9.633 1.752 162 HD13 ILE 23 3HD1 ILE 23 8.544 -9.210 3.127 163 H LEU 24 H LEU 24 3.174 -10.396 1.632 164 HA LEU 24 HA LEU 24 1.659 -10.827 4.112 165 HB2 LEU 24 2HB LEU 24 0.880 -10.611 1.166 166 HB3 LEU 24 3HB LEU 24 -0.260 -10.741 2.512 167 HG LEU 24 HG LEU 24 1.809 -8.498 2.132 168 HD11 LEU 24 1HD1 LEU 24 -0.117 -7.200 1.361 169 HD12 LEU 24 2HD1 LEU 24 0.155 -8.646 0.359 170 HD13 LEU 24 3HD1 LEU 24 -1.155 -8.652 1.553 171 HD21 LEU 24 1HD2 LEU 24 -0.484 -8.935 4.063 172 HD22 LEU 24 2HD2 LEU 24 1.232 -8.666 4.456 173 HD23 LEU 24 3HD2 LEU 24 0.251 -7.351 3.769 174 H GLU 25 H GLU 25 1.269 -12.500 1.024 175 HA GLU 25 HA GLU 25 1.600 -14.603 0.311 176 HB2 GLU 25 2HB GLU 25 2.955 -15.355 2.916 177 HB3 GLU 25 3HB GLU 25 3.063 -16.141 1.333 178 HG2 GLU 25 2HG GLU 25 4.079 -13.949 0.480 179 HG3 GLU 25 3HG GLU 25 4.191 -13.486 2.204 180 H GLU 26 H GLU 26 -0.774 -13.779 1.720 181 HA GLU 26 HA GLU 26 -1.891 -16.422 1.914 182 HB2 GLU 26 2HB GLU 26 -1.253 -15.165 4.382 183 HB3 GLU 26 3HB GLU 26 -2.991 -14.906 4.173 184 HG2 GLU 26 2HG GLU 26 -3.228 -17.358 3.631 185 HG3 GLU 26 3HG GLU 26 -1.507 -17.570 3.969 186 H GLY 27 H GLY 27 -4.518 -15.694 2.611 187 HA2 GLY 27 2HA GLY 27 -5.221 -14.116 0.220 188 HA3 GLY 27 3HA GLY 27 -6.331 -14.943 1.328 189 H GLU 28 H GLU 28 -3.771 -12.411 1.774 190 HA GLU 28 HA GLU 28 -5.398 -11.076 3.768 191 HB2 GLU 28 2HB GLU 28 -2.847 -10.311 2.287 192 HB3 GLU 28 3HB GLU 28 -3.555 -9.315 3.559 193 HG2 GLU 28 2HG GLU 28 -2.678 -12.220 3.932 194 HG3 GLU 28 3HG GLU 28 -1.732 -10.808 4.400 195 H ASP 29 H ASP 29 -6.462 -9.101 3.619 196 HA ASP 29 HA ASP 29 -7.625 -8.416 1.065 197 HB2 ASP 29 2HB ASP 29 -7.652 -7.014 3.769 198 HB3 ASP 29 3HB ASP 29 -8.563 -6.472 2.349 199 H VAL 30 H VAL 30 -5.748 -7.958 -0.273 200 HA VAL 30 HA VAL 30 -4.080 -5.670 0.475 201 HB VAL 30 HB VAL 30 -3.027 -5.939 -1.687 202 HG11 VAL 30 1HG1 VAL 30 -2.667 -7.406 0.446 203 HG12 VAL 30 2HG1 VAL 30 -3.334 -8.719 -0.544 204 HG13 VAL 30 3HG1 VAL 30 -1.878 -7.852 -1.077 205 HG21 VAL 30 1HG2 VAL 30 -5.033 -8.180 -2.234 206 HG22 VAL 30 2HG2 VAL 30 -4.795 -6.704 -3.196 207 HG23 VAL 30 3HG2 VAL 30 -3.522 -7.927 -3.120 208 H ARG 31 H ARG 31 -4.707 -3.585 0.336 209 HA ARG 31 HA ARG 31 -6.797 -2.972 -1.710 210 HB2 ARG 31 2HB ARG 31 -7.395 -2.627 0.720 211 HB3 ARG 31 3HB ARG 31 -6.218 -1.298 0.756 212 HG2 ARG 31 2HG ARG 31 -7.432 -0.151 -1.065 213 HG3 ARG 31 3HG ARG 31 -8.467 -1.573 -1.290 214 HD2 ARG 31 2HD ARG 31 -9.167 -1.214 1.185 215 HD3 ARG 31 3HD ARG 31 -8.490 0.418 0.986 216 HE ARG 31 HE ARG 31 -10.180 -0.136 -1.211 217 HH11 ARG 31 1HH1 ARG 31 -13.253 0.914 0.143 218 HH12 ARG 31 2HH1 ARG 31 -12.425 0.442 -1.294 219 HH21 ARG 31 1HH2 ARG 31 -12.105 0.915 2.226 220 HH22 ARG 31 2HH2 ARG 31 -10.446 0.443 2.258 221 H ARG 32 H ARG 32 -5.232 -2.912 -3.333 222 HA ARG 32 HA ARG 32 -3.020 -1.045 -3.206 223 HB2 ARG 32 2HB ARG 32 -2.662 -1.579 -5.540 224 HB3 ARG 32 3HB ARG 32 -3.077 -3.061 -4.684 225 HG2 ARG 32 2HG ARG 32 -4.482 -3.363 -6.446 226 HG3 ARG 32 3HG ARG 32 -5.573 -2.345 -5.503 227 HD2 ARG 32 2HD ARG 32 -4.516 -0.336 -6.740 228 HD3 ARG 32 3HD ARG 32 -3.743 -1.503 -7.801 229 HE ARG 32 HE ARG 32 -6.491 -0.634 -7.762 230 HH11 ARG 32 1HH1 ARG 32 -7.631 -2.963 -10.146 231 HH12 ARG 32 2HH1 ARG 32 -7.994 -1.506 -9.298 232 HH21 ARG 32 1HH2 ARG 32 -5.579 -4.083 -9.744 233 HH22 ARG 32 2HH2 ARG 32 -4.466 -3.402 -8.615 234 H LEU 33 H LEU 33 -2.858 0.969 -4.455 235 HA LEU 33 HA LEU 33 -5.382 2.487 -4.455 236 HB2 LEU 33 2HB LEU 33 -2.930 4.010 -4.378 237 HB3 LEU 33 3HB LEU 33 -4.332 3.991 -3.283 238 HG LEU 33 HG LEU 33 -2.121 1.942 -3.020 239 HD11 LEU 33 1HD1 LEU 33 -2.020 4.306 -1.247 240 HD12 LEU 33 2HD1 LEU 33 -0.752 3.253 -1.918 241 HD13 LEU 33 3HD1 LEU 33 -1.419 4.525 -2.907 242 HD21 LEU 33 1HD2 LEU 33 -3.060 1.642 -0.835 243 HD22 LEU 33 2HD2 LEU 33 -4.007 3.151 -0.948 244 HD23 LEU 33 3HD2 LEU 33 -4.451 1.737 -1.904 245 HA PRO 34 HA PRO 34 -4.711 3.443 -8.685 246 HB2 PRO 34 2HB PRO 34 -4.815 6.164 -9.016 247 HB3 PRO 34 3HB PRO 34 -6.231 5.171 -8.545 248 HG2 PRO 34 2HG PRO 34 -4.368 6.730 -6.731 249 HG3 PRO 34 3HG PRO 34 -6.161 6.746 -6.744 250 HD2 PRO 34 2HD PRO 34 -4.769 5.220 -5.013 251 HD3 PRO 34 3HD PRO 34 -6.273 4.596 -5.749 252 H CYS 35 H CYS 35 -2.259 4.493 -6.473 253 HA CYS 35 HA CYS 35 -0.344 5.176 -8.700 254 HB2 CYS 35 2HB CYS 35 0.511 6.681 -7.333 255 HB3 CYS 35 3HB CYS 35 -1.087 6.709 -6.634 256 H MET 36 H MET 36 -1.285 2.481 -7.946 257 HA MET 36 HA MET 36 -0.546 0.417 -7.312 258 HB2 MET 36 2HB MET 36 1.180 -0.337 -8.908 259 HB3 MET 36 3HB MET 36 -0.173 0.515 -9.639 260 HG2 MET 36 2HG MET 36 2.402 1.972 -8.986 261 HG3 MET 36 3HG MET 36 2.253 1.007 -10.442 262 HE1 MET 36 1HE MET 36 0.027 1.365 -12.100 263 HE2 MET 36 2HE MET 36 0.151 2.975 -12.851 264 HE3 MET 36 3HE MET 36 1.605 1.973 -12.659 265 H HIS 37 H HIS 37 -0.031 1.057 -5.084 266 HA HIS 37 HA HIS 37 2.909 0.818 -4.584 267 HB2 HIS 37 1HB HIS 37 1.114 2.940 -3.954 268 HB3 HIS 37 2HB HIS 37 1.555 2.172 -2.432 269 HD2 HIS 37 2HD HIS 37 4.227 1.981 -1.877 270 HE1 HIS 37 1HE HIS 37 5.471 4.922 -4.720 271 HE2 HIS 37 2HE HIS 37 6.207 3.515 -2.701 272 H LEU 38 H LEU 38 0.006 -0.740 -4.008 273 HA LEU 38 HA LEU 38 -0.622 -2.503 -2.818 274 HB2 LEU 38 2HB LEU 38 1.958 -2.891 -3.971 275 HB3 LEU 38 3HB LEU 38 1.918 -3.817 -2.480 276 HG LEU 38 HG LEU 38 -0.433 -3.919 -4.408 277 HD11 LEU 38 1HD1 LEU 38 0.594 -5.751 -5.567 278 HD12 LEU 38 2HD1 LEU 38 1.595 -4.311 -5.719 279 HD13 LEU 38 3HD1 LEU 38 2.071 -5.579 -4.574 280 HD21 LEU 38 1HD2 LEU 38 -0.876 -4.896 -2.265 281 HD22 LEU 38 2HD2 LEU 38 -0.599 -6.224 -3.413 282 HD23 LEU 38 3HD2 LEU 38 0.675 -5.747 -2.263 283 H PHE 39 H PHE 39 -1.505 -1.981 -0.924 284 HA PHE 39 HA PHE 39 0.254 -2.103 1.448 285 HB2 PHE 39 2HB PHE 39 -1.905 -0.059 0.812 286 HB3 PHE 39 3HB PHE 39 -1.060 -0.219 2.348 287 HD1 PHE 39 1HD PHE 39 -1.349 2.233 0.354 288 HD2 PHE 39 2HD PHE 39 1.836 -0.524 1.255 289 HE1 PHE 39 1HE PHE 39 0.309 4.008 -0.060 290 HE2 PHE 39 2HE PHE 39 3.468 1.300 0.902 291 HZ PHE 39 HZ PHE 39 2.726 3.545 0.204 292 H HIS 40 H HIS 40 -0.722 -2.973 3.216 293 HA HIS 40 HA HIS 40 -2.764 -4.975 3.039 294 HB2 HIS 40 1HB HIS 40 -1.018 -3.678 5.029 295 HB3 HIS 40 2HB HIS 40 -2.600 -3.914 5.704 296 HD2 HIS 40 2HD HIS 40 -3.338 -6.863 4.864 297 HE1 HIS 40 1HE HIS 40 0.087 -7.726 7.241 298 HE2 HIS 40 2HE HIS 40 -2.102 -8.649 6.279 299 H GLN 41 H GLN 41 -5.069 -4.835 3.648 300 HA GLN 41 HA GLN 41 -6.444 -2.418 3.553 301 HB2 GLN 41 2HB GLN 41 -7.521 -4.597 3.395 302 HB3 GLN 41 3HB GLN 41 -7.140 -4.954 5.091 303 HG2 GLN 41 2HG GLN 41 -8.610 -3.076 5.805 304 HG3 GLN 41 3HG GLN 41 -8.915 -2.673 4.108 305 HE21 GLN 41 1HE2 GLN 41 -9.431 -5.192 6.645 306 HE22 GLN 41 2HE2 GLN 41 -10.716 -5.988 5.756 307 H VAL 42 H VAL 42 -4.940 -3.953 6.433 308 HA VAL 42 HA VAL 42 -5.999 -1.877 8.198 309 HB VAL 42 HB VAL 42 -3.840 -3.997 8.600 310 HG11 VAL 42 1HG1 VAL 42 -5.155 -2.118 10.615 311 HG12 VAL 42 2HG1 VAL 42 -4.151 -3.523 11.038 312 HG13 VAL 42 3HG1 VAL 42 -3.433 -2.157 10.178 313 HG21 VAL 42 1HG2 VAL 42 -6.122 -4.910 8.266 314 HG22 VAL 42 2HG2 VAL 42 -5.601 -5.113 9.943 315 HG23 VAL 42 3HG2 VAL 42 -6.743 -3.820 9.523 316 H CYS 43 H CYS 43 -2.598 -2.679 7.306 317 HA CYS 43 HA CYS 43 -1.432 -0.431 8.407 318 HB2 CYS 43 2HB CYS 43 -0.424 -1.731 5.877 319 HB3 CYS 43 3HB CYS 43 0.482 -0.952 7.185 320 H VAL 44 H VAL 44 -2.710 -0.666 5.038 321 HA VAL 44 HA VAL 44 -1.884 1.797 4.086 322 HB VAL 44 HB VAL 44 -3.183 0.093 2.786 323 HG11 VAL 44 1HG1 VAL 44 -5.125 -0.100 4.430 324 HG12 VAL 44 2HG1 VAL 44 -5.724 1.429 3.774 325 HG13 VAL 44 3HG1 VAL 44 -5.539 0.017 2.717 326 HG21 VAL 44 1HG2 VAL 44 -4.205 1.695 1.303 327 HG22 VAL 44 2HG2 VAL 44 -4.308 2.909 2.597 328 HG23 VAL 44 3HG2 VAL 44 -2.726 2.414 1.989 329 H ASP 45 H ASP 45 -4.734 1.068 6.133 330 HA ASP 45 HA ASP 45 -5.403 3.903 6.380 331 HB2 ASP 45 2HB ASP 45 -6.987 1.840 6.003 332 HB3 ASP 45 3HB ASP 45 -6.770 1.534 7.719 333 H GLN 46 H GLN 46 -2.906 3.346 7.328 334 HA GLN 46 HA GLN 46 -3.189 4.039 10.150 335 HB2 GLN 46 2HB GLN 46 -2.733 1.412 9.673 336 HB3 GLN 46 3HB GLN 46 -1.062 1.989 9.577 337 HG2 GLN 46 2HG GLN 46 -1.437 3.141 11.809 338 HG3 GLN 46 3HG GLN 46 -3.035 2.379 11.871 339 HE21 GLN 46 1HE2 GLN 46 -3.183 0.165 12.510 340 HE22 GLN 46 2HE2 GLN 46 -1.738 -0.750 12.932 341 H ARG 47 H ARG 47 -0.665 3.206 7.660 342 HA ARG 47 HA ARG 47 0.900 5.543 8.430 343 HB2 ARG 47 2HB ARG 47 1.996 3.556 7.504 344 HB3 ARG 47 3HB ARG 47 1.138 3.792 5.972 345 HG2 ARG 47 2HG ARG 47 2.260 6.139 5.924 346 HG3 ARG 47 3HG ARG 47 3.309 5.546 7.208 347 HD2 ARG 47 2HD ARG 47 2.950 4.077 4.568 348 HD3 ARG 47 3HD ARG 47 4.051 5.454 4.711 349 HE ARG 47 HE ARG 47 4.804 3.761 6.769 350 HH11 ARG 47 1HH1 ARG 47 6.785 1.493 4.886 351 HH12 ARG 47 2HH1 ARG 47 6.414 1.989 6.494 352 HH21 ARG 47 1HH2 ARG 47 5.709 2.307 3.088 353 HH22 ARG 47 2HH2 ARG 47 4.572 3.617 3.232 354 H LEU 48 H LEU 48 -1.475 4.854 5.754 355 HA LEU 48 HA LEU 48 -0.954 7.572 4.700 356 HB2 LEU 48 2HB LEU 48 -2.828 5.387 3.696 357 HB3 LEU 48 3HB LEU 48 -2.566 6.932 2.937 358 HG LEU 48 HG LEU 48 -1.409 5.149 1.776 359 HD11 LEU 48 1HD1 LEU 48 0.756 6.232 1.523 360 HD12 LEU 48 2HD1 LEU 48 -0.514 7.455 1.701 361 HD13 LEU 48 3HD1 LEU 48 0.560 7.075 3.073 362 HD21 LEU 48 1HD2 LEU 48 0.515 4.889 4.097 363 HD22 LEU 48 2HD2 LEU 48 -0.850 3.768 3.835 364 HD23 LEU 48 3HD2 LEU 48 0.438 3.922 2.634 365 H ILE 49 H ILE 49 -1.907 7.624 7.327 366 HA ILE 49 HA ILE 49 -4.782 8.275 7.139 367 HB ILE 49 HB ILE 49 -2.736 8.145 9.389 368 HG12 ILE 49 2HG1 ILE 49 -3.816 6.025 8.520 369 HG13 ILE 49 3HG1 ILE 49 -4.005 6.337 10.244 370 HG21 ILE 49 1HG2 ILE 49 -4.067 10.051 9.968 371 HG22 ILE 49 2HG2 ILE 49 -5.576 9.226 9.529 372 HG23 ILE 49 3HG2 ILE 49 -4.636 8.692 10.945 373 HD11 ILE 49 1HD1 ILE 49 -6.075 5.473 9.203 374 HD12 ILE 49 2HD1 ILE 49 -6.322 7.070 9.902 375 HD13 ILE 49 3HD1 ILE 49 -6.146 6.881 8.137 376 H THR 50 H THR 50 -5.320 10.306 6.594 377 HA THR 50 HA THR 50 -5.325 12.530 6.368 378 HB THR 50 HB THR 50 -2.733 12.689 7.942 379 HG1 THR 50 1HG THR 50 -4.020 12.664 9.705 380 HG21 THR 50 1HG2 THR 50 -5.030 14.643 7.499 381 HG22 THR 50 2HG2 THR 50 -3.661 14.890 8.605 382 HG23 THR 50 3HG2 THR 50 -3.377 14.803 6.858 383 H ASN 51 H ASN 51 -2.072 11.103 5.668 384 HA ASN 51 HA ASN 51 -1.643 12.983 3.461 385 HB2 ASN 51 2HB ASN 51 0.301 11.830 4.452 386 HB3 ASN 51 3HB ASN 51 -0.399 10.255 4.012 387 HD21 ASN 51 1HD2 ASN 51 0.980 9.509 2.321 388 HD22 ASN 51 2HD2 ASN 51 1.299 10.439 0.879 389 H LYS 52 H LYS 52 -1.863 12.415 1.202 390 HA LYS 52 HA LYS 52 -3.112 9.894 0.503 391 HB2 LYS 52 2HB LYS 52 -4.928 10.994 -0.847 392 HB3 LYS 52 3HB LYS 52 -5.205 10.952 0.879 393 HG2 LYS 52 2HG LYS 52 -3.898 13.410 -0.309 394 HG3 LYS 52 3HG LYS 52 -5.614 13.155 -0.592 395 HD2 LYS 52 2HD LYS 52 -6.162 13.878 1.454 396 HD3 LYS 52 3HD LYS 52 -5.097 12.709 2.223 397 HE2 LYS 52 2HE LYS 52 -4.473 14.952 2.895 398 HE3 LYS 52 3HE LYS 52 -3.175 14.212 1.960 399 HZ1 LYS 52 1HZ LYS 52 -3.568 16.474 1.266 400 HZ2 LYS 52 2HZ LYS 52 -3.944 15.458 0.024 401 HZ3 LYS 52 3HZ LYS 52 -5.142 16.149 0.912 402 H LYS 53 H LYS 53 -0.695 10.182 -0.216 403 HA LYS 53 HA LYS 53 -0.740 10.821 -3.002 404 HB2 LYS 53 2HB LYS 53 -0.012 13.060 -1.401 405 HB3 LYS 53 3HB LYS 53 1.502 12.427 -2.087 406 HG2 LYS 53 2HG LYS 53 0.374 12.288 -4.323 407 HG3 LYS 53 3HG LYS 53 -1.058 13.052 -3.607 408 HD2 LYS 53 2HD LYS 53 0.092 15.111 -3.260 409 HD3 LYS 53 3HD LYS 53 1.660 14.388 -3.726 410 HE2 LYS 53 2HE LYS 53 1.196 14.514 -5.954 411 HE3 LYS 53 3HE LYS 53 -0.420 13.826 -5.710 412 HZ1 LYS 53 1HZ LYS 53 -0.610 15.978 -6.605 413 HZ2 LYS 53 2HZ LYS 53 -1.267 15.907 -5.142 414 HZ3 LYS 53 3HZ LYS 53 0.199 16.676 -5.325 415 H CYS 54 H CYS 54 1.118 10.049 -4.110 416 HA CYS 54 HA CYS 54 2.790 7.997 -2.670 417 HB2 CYS 54 2HB CYS 54 1.725 8.510 -5.433 418 HB3 CYS 54 3HB CYS 54 3.336 7.794 -5.271 419 HA PRO 55 HA PRO 55 6.339 10.644 -3.814 420 HB2 PRO 55 2HB PRO 55 8.337 8.831 -3.528 421 HB3 PRO 55 3HB PRO 55 7.482 9.492 -2.097 422 HG2 PRO 55 2HG PRO 55 7.003 6.843 -3.497 423 HG3 PRO 55 3HG PRO 55 7.156 7.156 -1.744 424 HD2 PRO 55 2HD PRO 55 4.737 6.971 -3.082 425 HD3 PRO 55 3HD PRO 55 4.964 7.958 -1.603 426 H ILE 56 H ILE 56 7.062 10.970 -5.882 427 HA ILE 56 HA ILE 56 7.636 10.740 -8.008 428 HB ILE 56 HB ILE 56 7.679 7.725 -7.712 429 HG12 ILE 56 2HG1 ILE 56 10.063 9.618 -7.555 430 HG13 ILE 56 3HG1 ILE 56 9.218 9.090 -6.099 431 HG21 ILE 56 1HG2 ILE 56 8.933 9.663 -9.720 432 HG22 ILE 56 2HG2 ILE 56 9.217 7.913 -9.686 433 HG23 ILE 56 3HG2 ILE 56 7.613 8.529 -10.053 434 HD11 ILE 56 1HD1 ILE 56 10.562 7.225 -8.091 435 HD12 ILE 56 2HD1 ILE 56 11.136 7.660 -6.475 436 HD13 ILE 56 3HD1 ILE 56 9.637 6.728 -6.654 437 H CYS 57 H CYS 57 5.090 8.196 -7.297 438 HA CYS 57 HA CYS 57 3.922 8.178 -9.860 439 HB2 CYS 57 2HB CYS 57 2.200 8.106 -7.435 440 HB3 CYS 57 3HB CYS 57 2.104 7.162 -8.908 441 H ARG 58 H ARG 58 3.626 10.559 -7.279 442 HA ARG 58 HA ARG 58 2.651 12.606 -7.121 443 HB2 ARG 58 2HB ARG 58 4.462 12.911 -8.887 444 HB3 ARG 58 3HB ARG 58 3.185 12.779 -10.098 445 HG2 ARG 58 2HG ARG 58 2.106 14.693 -8.417 446 HG3 ARG 58 3HG ARG 58 3.805 15.001 -8.161 447 HD2 ARG 58 2HD ARG 58 2.921 14.692 -11.017 448 HD3 ARG 58 3HD ARG 58 2.270 16.083 -10.149 449 HE ARG 58 HE ARG 58 4.955 16.175 -9.580 450 HH11 ARG 58 1HH1 ARG 58 6.018 18.058 -12.367 451 HH12 ARG 58 2HH1 ARG 58 6.353 17.643 -10.727 452 HH21 ARG 58 1HH2 ARG 58 4.095 17.170 -13.442 453 HH22 ARG 58 2HH2 ARG 58 3.063 16.108 -12.553 454 H VAL 59 H VAL 59 0.763 10.696 -7.164 455 HA VAL 59 HA VAL 59 -1.508 12.029 -8.520 456 HB VAL 59 HB VAL 59 -0.693 9.107 -8.452 457 HG11 VAL 59 1HG1 VAL 59 -3.539 10.160 -8.810 458 HG12 VAL 59 2HG1 VAL 59 -3.001 8.522 -9.242 459 HG13 VAL 59 3HG1 VAL 59 -2.966 9.040 -7.555 460 HG21 VAL 59 1HG2 VAL 59 -1.323 9.222 -10.832 461 HG22 VAL 59 2HG2 VAL 59 -1.892 10.893 -10.623 462 HG23 VAL 59 3HG2 VAL 59 -0.170 10.508 -10.454 463 H ASP 60 H ASP 60 -3.176 12.405 -7.065 464 HA ASP 60 HA ASP 60 -2.643 11.856 -4.261 465 HB2 ASP 60 2HB ASP 60 -4.911 13.236 -5.729 466 HB3 ASP 60 3HB ASP 60 -4.954 12.900 -3.992 467 H ILE 61 H ILE 61 -3.512 10.278 -3.085 468 HA ILE 61 HA ILE 61 -4.348 7.925 -4.543 469 HB ILE 61 HB ILE 61 -3.879 8.447 -1.580 470 HG12 ILE 61 2HG1 ILE 61 -1.892 9.133 -2.579 471 HG13 ILE 61 3HG1 ILE 61 -1.564 7.508 -2.017 472 HG21 ILE 61 1HG2 ILE 61 -3.336 6.166 -1.334 473 HG22 ILE 61 2HG2 ILE 61 -4.930 6.224 -2.121 474 HG23 ILE 61 3HG2 ILE 61 -3.482 5.865 -3.083 475 HD11 ILE 61 1HD1 ILE 61 -0.644 7.954 -4.243 476 HD12 ILE 61 2HD1 ILE 61 -1.902 6.689 -4.337 477 HD13 ILE 61 3HD1 ILE 61 -2.235 8.344 -4.875 478 H GLU 62 H GLU 62 -5.877 10.403 -2.678 479 HA GLU 62 HA GLU 62 -8.243 8.898 -1.926 480 HB2 GLU 62 2HB GLU 62 -7.278 11.132 -0.910 481 HB3 GLU 62 3HB GLU 62 -8.078 11.914 -2.273 482 HG2 GLU 62 2HG GLU 62 -9.985 10.092 -1.149 483 HG3 GLU 62 3HG GLU 62 -9.175 10.839 0.224 484 H ALA 63 H ALA 63 -10.317 9.030 -3.061 485 HA ALA 63 HA ALA 63 -10.236 10.153 -5.798 486 HB1 ALA 63 1HB ALA 63 -10.795 7.222 -5.146 487 HB2 ALA 63 2HB ALA 63 -10.979 7.988 -6.740 488 HB3 ALA 63 3HB ALA 63 -9.367 7.846 -6.008 489 H GLN 64 H GLN 64 -11.512 11.253 -3.668 490 HA GLN 64 HA GLN 64 -13.421 11.963 -2.841 491 HB2 GLN 64 2HB GLN 64 -14.138 11.902 -5.274 492 HB3 GLN 64 3HB GLN 64 -14.956 10.386 -4.956 493 HG2 GLN 64 2HG GLN 64 -15.579 12.811 -3.252 494 HG3 GLN 64 3HG GLN 64 -16.178 12.747 -4.908 495 HE21 GLN 64 1HE2 GLN 64 -17.582 12.536 -2.115 496 HE22 GLN 64 2HE2 GLN 64 -18.561 11.097 -2.365 497 H LEU 65 H LEU 65 -15.579 10.915 -1.819 498 HA LEU 65 HA LEU 65 -16.288 9.671 -0.089 499 HB2 LEU 65 2HB LEU 65 -16.959 8.492 -2.247 500 HB3 LEU 65 3HB LEU 65 -15.657 7.354 -1.922 501 HG LEU 65 HG LEU 65 -16.807 7.100 0.451 502 HD11 LEU 65 1HD1 LEU 65 -19.112 8.202 -1.225 503 HD12 LEU 65 2HD1 LEU 65 -19.242 7.493 0.398 504 HD13 LEU 65 3HD1 LEU 65 -18.378 9.018 0.174 505 HD21 LEU 65 1HD2 LEU 65 -16.736 5.319 -1.227 506 HD22 LEU 65 2HD2 LEU 65 -18.333 5.377 -0.462 507 HD23 LEU 65 3HD2 LEU 65 -18.106 6.046 -2.098 508 HA PRO 66 HA PRO 66 -12.126 8.485 1.549 509 HB2 PRO 66 2HB PRO 66 -12.259 9.872 3.921 510 HB3 PRO 66 3HB PRO 66 -11.775 10.629 2.369 511 HG2 PRO 66 2HG PRO 66 -14.521 10.627 3.659 512 HG3 PRO 66 3HG PRO 66 -13.608 12.028 3.008 513 HD2 PRO 66 2HD PRO 66 -15.514 10.762 1.550 514 HD3 PRO 66 3HD PRO 66 -14.016 11.360 0.768 515 H SER 67 H SER 67 -11.629 7.062 3.416 516 HA SER 67 HA SER 67 -13.522 5.122 3.944 517 HB2 SER 67 2HB SER 67 -11.151 5.958 5.666 518 HB3 SER 67 3HB SER 67 -11.964 4.378 5.698 519 HG SER 67 HG SER 67 -10.094 4.392 4.402 520 H GLU 68 H GLU 68 -15.030 4.736 5.544 521 HA GLU 68 HA GLU 68 -16.041 7.171 6.815 522 HB2 GLU 68 2HB GLU 68 -17.224 5.283 5.313 523 HB3 GLU 68 3HB GLU 68 -17.473 4.499 6.857 524 HG2 GLU 68 2HG GLU 68 -18.390 7.253 5.938 525 HG3 GLU 68 3HG GLU 68 -19.400 5.853 6.288 526 H SER 69 H SER 69 -13.988 6.889 8.201 527 HA SER 69 HA SER 69 -12.788 6.177 10.005 528 HB2 SER 69 2HB SER 69 -15.534 5.566 11.160 529 HB3 SER 69 3HB SER 69 -14.013 5.429 12.064 530 HG SER 69 HG SER 69 -14.946 7.740 10.708 Start of MODEL 5 1 H1 MET 1 H1 MET 1 24.703 -34.893 1.012 2 H2 MET 1 H2 MET 1 26.133 -34.427 1.694 3 H3 MET 1 H3 MET 1 24.815 -33.438 1.773 4 HA MET 1 HA MET 1 26.350 -32.617 0.176 5 HB2 MET 1 2HB MET 1 25.986 -35.357 -1.071 6 HB3 MET 1 3HB MET 1 26.552 -33.939 -1.986 7 HG2 MET 1 2HG MET 1 28.375 -33.585 -0.407 8 HG3 MET 1 3HG MET 1 27.857 -34.959 0.569 9 HE1 MET 1 1HE MET 1 27.296 -37.378 -1.277 10 HE2 MET 1 2HE MET 1 28.934 -38.056 -1.401 11 HE3 MET 1 3HE MET 1 28.373 -37.380 0.143 12 H LYS 2 H LYS 2 24.027 -34.554 -1.715 13 HA LYS 2 HA LYS 2 22.548 -33.959 -3.183 14 HB2 LYS 2 2HB LYS 2 20.754 -32.477 -2.804 15 HB3 LYS 2 3HB LYS 2 21.015 -33.411 -1.341 16 HG2 LYS 2 2HG LYS 2 21.777 -31.540 -0.135 17 HG3 LYS 2 3HG LYS 2 22.220 -30.638 -1.606 18 HD2 LYS 2 2HD LYS 2 19.861 -30.334 -2.163 19 HD3 LYS 2 3HD LYS 2 19.382 -31.240 -0.702 20 HE2 LYS 2 2HE LYS 2 20.406 -29.590 0.743 21 HE3 LYS 2 3HE LYS 2 21.200 -28.797 -0.625 22 HZ1 LYS 2 1HZ LYS 2 19.257 -27.585 0.090 23 HZ2 LYS 2 2HZ LYS 2 19.062 -28.127 -1.453 24 HZ3 LYS 2 3HZ LYS 2 18.281 -28.874 -0.204 25 H GLN 3 H GLN 3 21.846 -32.105 -4.731 26 HA GLN 3 HA GLN 3 23.656 -29.880 -5.010 27 HB2 GLN 3 2HB GLN 3 24.996 -32.013 -5.791 28 HB3 GLN 3 3HB GLN 3 23.865 -32.080 -7.139 29 HG2 GLN 3 2HG GLN 3 24.570 -29.809 -7.841 30 HG3 GLN 3 3HG GLN 3 25.593 -29.672 -6.400 31 HE21 GLN 3 1HE2 GLN 3 25.587 -30.624 -9.710 32 HE22 GLN 3 2HE2 GLN 3 27.121 -31.485 -9.645 33 H ASP 4 H ASP 4 21.237 -29.484 -4.577 34 HA ASP 4 HA ASP 4 20.333 -28.627 -7.136 35 HB2 ASP 4 2HB ASP 4 19.155 -30.965 -6.457 36 HB3 ASP 4 3HB ASP 4 18.139 -29.873 -5.502 37 H GLY 5 H GLY 5 19.300 -26.825 -6.902 38 HA2 GLY 5 2HA GLY 5 19.255 -25.505 -4.206 39 HA3 GLY 5 3HA GLY 5 19.450 -24.646 -5.749 40 H GLU 6 H GLU 6 17.524 -23.274 -5.223 41 HA GLU 6 HA GLU 6 15.128 -24.460 -6.215 42 HB2 GLU 6 2HB GLU 6 15.299 -24.892 -3.584 43 HB3 GLU 6 3HB GLU 6 14.813 -23.199 -3.477 44 HG2 GLU 6 2HG GLU 6 12.752 -23.691 -4.724 45 HG3 GLU 6 3HG GLU 6 13.325 -25.320 -5.098 46 H GLU 7 H GLU 7 13.376 -22.416 -6.073 47 HA GLU 7 HA GLU 7 14.820 -19.893 -6.374 48 HB2 GLU 7 2HB GLU 7 14.484 -21.508 -8.630 49 HB3 GLU 7 3HB GLU 7 13.082 -20.436 -8.709 50 HG2 GLU 7 2HG GLU 7 14.614 -18.471 -8.453 51 HG3 GLU 7 3HG GLU 7 15.994 -19.573 -8.375 52 H GLY 8 H GLY 8 12.948 -18.229 -7.243 53 HA2 GLY 8 2HA GLY 8 10.827 -18.525 -5.176 54 HA3 GLY 8 3HA GLY 8 11.446 -17.008 -5.846 55 H THR 9 H THR 9 9.472 -16.139 -6.643 56 HA THR 9 HA THR 9 8.478 -17.283 -9.064 57 HB THR 9 HB THR 9 7.294 -18.672 -7.403 58 HG1 THR 9 1HG THR 9 6.187 -18.276 -9.239 59 HG21 THR 9 1HG2 THR 9 6.086 -16.071 -6.382 60 HG22 THR 9 2HG2 THR 9 5.606 -17.716 -5.921 61 HG23 THR 9 3HG2 THR 9 7.223 -17.117 -5.503 62 H GLU 10 H GLU 10 6.013 -15.652 -8.803 63 HA GLU 10 HA GLU 10 6.754 -13.161 -9.762 64 HB2 GLU 10 2HB GLU 10 4.366 -14.540 -8.908 65 HB3 GLU 10 3HB GLU 10 4.350 -12.989 -8.116 66 HG2 GLU 10 2HG GLU 10 3.220 -12.635 -10.142 67 HG3 GLU 10 3HG GLU 10 4.823 -11.944 -10.421 68 H GLU 11 H GLU 11 7.777 -11.313 -8.786 69 HA GLU 11 HA GLU 11 7.027 -10.713 -6.106 70 HB2 GLU 11 2HB GLU 11 9.085 -10.740 -4.993 71 HB3 GLU 11 3HB GLU 11 8.859 -12.354 -5.636 72 HG2 GLU 11 2HG GLU 11 10.558 -12.067 -7.290 73 HG3 GLU 11 3HG GLU 11 10.578 -10.311 -7.110 74 H ASP 12 H ASP 12 7.737 -8.783 -5.388 75 HA ASP 12 HA ASP 12 8.687 -6.727 -5.275 76 HB2 ASP 12 2HB ASP 12 10.342 -7.090 -7.084 77 HB3 ASP 12 3HB ASP 12 9.107 -6.592 -8.268 78 H THR 13 H THR 13 7.370 -5.050 -4.932 79 HA THR 13 HA THR 13 5.233 -4.172 -4.657 80 HB THR 13 HB THR 13 5.730 -3.869 -7.648 81 HG1 THR 13 1HG THR 13 7.563 -3.369 -6.371 82 HG21 THR 13 1HG2 THR 13 4.787 -1.563 -7.218 83 HG22 THR 13 2HG2 THR 13 3.584 -2.843 -7.078 84 HG23 THR 13 3HG2 THR 13 4.279 -2.122 -5.608 85 H GLU 14 H GLU 14 5.183 -7.049 -4.998 86 HA GLU 14 HA GLU 14 2.968 -7.611 -6.823 87 HB2 GLU 14 2HB GLU 14 5.393 -8.732 -6.565 88 HB3 GLU 14 3HB GLU 14 4.592 -9.676 -5.321 89 HG2 GLU 14 2HG GLU 14 4.443 -10.920 -7.334 90 HG3 GLU 14 3HG GLU 14 2.822 -10.264 -7.081 91 H GLU 15 H GLU 15 3.981 -8.568 -3.482 92 HA GLU 15 HA GLU 15 1.349 -7.863 -2.523 93 HB2 GLU 15 2HB GLU 15 1.298 -10.387 -3.366 94 HB3 GLU 15 3HB GLU 15 2.131 -10.713 -1.851 95 HG2 GLU 15 2HG GLU 15 0.243 -9.271 -0.755 96 HG3 GLU 15 3HG GLU 15 -0.586 -9.412 -2.304 97 H LYS 16 H LYS 16 3.142 -6.322 -1.746 98 HA LYS 16 HA LYS 16 4.261 -7.399 0.796 99 HB2 LYS 16 2HB LYS 16 5.881 -5.640 -1.131 100 HB3 LYS 16 3HB LYS 16 6.433 -6.355 0.385 101 HG2 LYS 16 2HG LYS 16 5.924 -8.636 -0.690 102 HG3 LYS 16 3HG LYS 16 5.764 -7.795 -2.220 103 HD2 LYS 16 2HD LYS 16 8.293 -7.799 -0.501 104 HD3 LYS 16 3HD LYS 16 7.968 -8.899 -1.852 105 HE2 LYS 16 2HE LYS 16 7.648 -6.853 -3.295 106 HE3 LYS 16 3HE LYS 16 8.235 -5.888 -1.925 107 HZ1 LYS 16 1HZ LYS 16 10.315 -7.137 -2.041 108 HZ2 LYS 16 2HZ LYS 16 9.781 -8.024 -3.310 109 HZ3 LYS 16 3HZ LYS 16 10.020 -6.407 -3.482 110 H CYS 17 H CYS 17 3.715 -6.174 2.492 111 HA CYS 17 HA CYS 17 2.428 -3.525 2.161 112 HB2 CYS 17 2HB CYS 17 1.506 -5.211 3.646 113 HB3 CYS 17 3HB CYS 17 3.040 -5.313 4.521 114 H THR 18 H THR 18 3.836 -1.860 1.757 115 HA THR 18 HA THR 18 6.598 -1.985 2.701 116 HB THR 18 HB THR 18 6.561 0.348 1.676 117 HG1 THR 18 1HG THR 18 4.521 0.666 0.463 118 HG21 THR 18 1HG2 THR 18 6.295 -0.476 -0.647 119 HG22 THR 18 2HG2 THR 18 7.161 -1.667 0.335 120 HG23 THR 18 3HG2 THR 18 5.460 -1.933 -0.060 121 H ILE 19 H ILE 19 3.520 -0.950 3.855 122 HA ILE 19 HA ILE 19 4.254 1.276 5.441 123 HB ILE 19 HB ILE 19 1.907 -0.588 5.846 124 HG12 ILE 19 2HG1 ILE 19 2.549 1.391 3.671 125 HG13 ILE 19 3HG1 ILE 19 1.680 -0.165 3.602 126 HG21 ILE 19 1HG2 ILE 19 0.877 1.464 6.770 127 HG22 ILE 19 2HG2 ILE 19 2.351 1.062 7.640 128 HG23 ILE 19 3HG2 ILE 19 2.388 2.356 6.428 129 HD11 ILE 19 1HD1 ILE 19 -0.207 0.836 4.718 130 HD12 ILE 19 2HD1 ILE 19 0.612 2.432 4.661 131 HD13 ILE 19 3HD1 ILE 19 0.177 1.589 3.153 132 H CYS 20 H CYS 20 3.529 -2.135 6.286 133 HA CYS 20 HA CYS 20 4.703 -1.892 9.038 134 HB2 CYS 20 2HB CYS 20 3.720 -4.151 9.246 135 HB3 CYS 20 3HB CYS 20 2.522 -2.893 8.918 136 H LEU 21 H LEU 21 6.015 -2.116 6.073 137 HA LEU 21 HA LEU 21 7.793 -3.130 5.121 138 HB2 LEU 21 2HB LEU 21 8.636 -2.932 8.032 139 HB3 LEU 21 3HB LEU 21 9.763 -3.263 6.721 140 HG LEU 21 HG LEU 21 8.010 -0.866 6.342 141 HD11 LEU 21 1HD1 LEU 21 8.529 -0.610 8.695 142 HD12 LEU 21 2HD1 LEU 21 10.260 -0.879 8.377 143 HD13 LEU 21 3HD1 LEU 21 9.436 0.564 7.731 144 HD21 LEU 21 1HD2 LEU 21 10.049 0.052 5.374 145 HD22 LEU 21 2HD2 LEU 21 10.999 -1.322 5.978 146 HD23 LEU 21 3HD2 LEU 21 9.771 -1.569 4.715 147 H SER 22 H SER 22 5.825 -5.087 5.346 148 HA SER 22 HA SER 22 7.550 -7.441 5.651 149 HB2 SER 22 2HB SER 22 5.438 -8.520 6.874 150 HB3 SER 22 3HB SER 22 6.764 -7.752 7.762 151 HG SER 22 HG SER 22 5.535 -5.875 7.914 152 H ILE 23 H ILE 23 6.871 -9.239 4.498 153 HA ILE 23 HA ILE 23 5.047 -8.685 2.273 154 HB ILE 23 HB ILE 23 6.825 -11.061 2.935 155 HG12 ILE 23 2HG1 ILE 23 8.087 -10.055 0.855 156 HG13 ILE 23 3HG1 ILE 23 7.219 -8.568 1.246 157 HG21 ILE 23 1HG2 ILE 23 5.320 -10.343 0.401 158 HG22 ILE 23 2HG2 ILE 23 6.537 -11.622 0.522 159 HG23 ILE 23 3HG2 ILE 23 5.053 -11.749 1.448 160 HD11 ILE 23 1HD1 ILE 23 9.088 -9.976 3.184 161 HD12 ILE 23 2HD1 ILE 23 9.604 -8.733 2.020 162 HD13 ILE 23 3HD1 ILE 23 8.470 -8.303 3.287 163 H LEU 24 H LEU 24 3.222 -10.046 1.935 164 HA LEU 24 HA LEU 24 2.107 -11.045 4.470 165 HB2 LEU 24 2HB LEU 24 0.548 -10.401 1.952 166 HB3 LEU 24 3HB LEU 24 0.013 -10.472 3.615 167 HG LEU 24 HG LEU 24 0.078 -8.231 2.911 168 HD11 LEU 24 1HD1 LEU 24 2.606 -8.366 4.550 169 HD12 LEU 24 2HD1 LEU 24 1.311 -7.168 4.600 170 HD13 LEU 24 3HD1 LEU 24 1.027 -8.799 5.233 171 HD21 LEU 24 1HD2 LEU 24 2.886 -8.089 2.154 172 HD22 LEU 24 2HD2 LEU 24 1.551 -8.497 1.027 173 HD23 LEU 24 3HD2 LEU 24 1.544 -6.968 1.886 174 H GLU 25 H GLU 25 1.555 -11.852 1.038 175 HA GLU 25 HA GLU 25 1.230 -13.710 -0.058 176 HB2 GLU 25 2HB GLU 25 3.115 -15.196 -0.236 177 HB3 GLU 25 3HB GLU 25 3.624 -13.514 -0.147 178 HG2 GLU 25 2HG GLU 25 4.272 -13.816 2.230 179 HG3 GLU 25 3HG GLU 25 3.735 -15.499 2.169 180 H GLU 26 H GLU 26 -0.198 -13.625 2.415 181 HA GLU 26 HA GLU 26 -0.557 -16.542 2.919 182 HB2 GLU 26 2HB GLU 26 -0.432 -14.154 4.755 183 HB3 GLU 26 3HB GLU 26 -1.507 -15.485 5.178 184 HG2 GLU 26 2HG GLU 26 0.365 -17.096 5.007 185 HG3 GLU 26 3HG GLU 26 1.471 -15.780 4.614 186 H GLY 27 H GLY 27 -1.845 -14.709 1.009 187 HA2 GLY 27 2HA GLY 27 -4.005 -14.444 0.085 188 HA3 GLY 27 3HA GLY 27 -4.570 -15.686 1.230 189 H GLU 28 H GLU 28 -2.885 -12.818 2.272 190 HA GLU 28 HA GLU 28 -4.956 -11.972 4.068 191 HB2 GLU 28 2HB GLU 28 -2.273 -11.060 3.169 192 HB3 GLU 28 3HB GLU 28 -3.305 -9.741 3.666 193 HG2 GLU 28 2HG GLU 28 -3.065 -12.200 5.420 194 HG3 GLU 28 3HG GLU 28 -1.868 -10.890 5.488 195 H ASP 29 H ASP 29 -6.005 -9.897 4.088 196 HA ASP 29 HA ASP 29 -6.974 -9.156 1.396 197 HB2 ASP 29 2HB ASP 29 -7.910 -8.624 4.186 198 HB3 ASP 29 3HB ASP 29 -8.105 -7.287 3.048 199 H VAL 30 H VAL 30 -5.903 -7.756 0.199 200 HA VAL 30 HA VAL 30 -4.327 -5.647 1.551 201 HB VAL 30 HB VAL 30 -2.620 -5.801 -0.139 202 HG11 VAL 30 1HG1 VAL 30 -3.126 -8.612 0.932 203 HG12 VAL 30 2HG1 VAL 30 -1.569 -7.878 0.510 204 HG13 VAL 30 3HG1 VAL 30 -2.474 -7.287 1.911 205 HG21 VAL 30 1HG2 VAL 30 -2.535 -7.639 -1.779 206 HG22 VAL 30 2HG2 VAL 30 -4.144 -8.187 -1.277 207 HG23 VAL 30 3HG2 VAL 30 -3.947 -6.608 -2.069 208 H ARG 31 H ARG 31 -4.330 -3.564 0.478 209 HA ARG 31 HA ARG 31 -6.515 -3.356 -1.524 210 HB2 ARG 31 2HB ARG 31 -6.948 -2.468 0.816 211 HB3 ARG 31 3HB ARG 31 -5.708 -1.247 0.539 212 HG2 ARG 31 2HG ARG 31 -7.926 -1.535 -1.494 213 HG3 ARG 31 3HG ARG 31 -8.344 -0.880 0.088 214 HD2 ARG 31 2HD ARG 31 -6.764 0.933 -0.131 215 HD3 ARG 31 3HD ARG 31 -6.166 0.291 -1.674 216 HE ARG 31 HE ARG 31 -8.904 0.568 -1.992 217 HH11 ARG 31 1HH1 ARG 31 -9.133 3.926 -2.994 218 HH12 ARG 31 2HH1 ARG 31 -9.931 2.394 -2.966 219 HH21 ARG 31 1HH2 ARG 31 -7.038 4.197 -1.960 220 HH22 ARG 31 2HH2 ARG 31 -6.263 2.804 -1.275 221 H ARG 32 H ARG 32 -6.071 -1.960 -3.288 222 HA ARG 32 HA ARG 32 -3.251 -1.067 -3.476 223 HB2 ARG 32 2HB ARG 32 -3.324 -1.283 -5.894 224 HB3 ARG 32 3HB ARG 32 -3.616 -2.840 -5.100 225 HG2 ARG 32 2HG ARG 32 -5.271 -3.029 -6.591 226 HG3 ARG 32 3HG ARG 32 -6.200 -2.064 -5.448 227 HD2 ARG 32 2HD ARG 32 -5.624 -0.002 -6.691 228 HD3 ARG 32 3HD ARG 32 -4.588 -0.916 -7.784 229 HE ARG 32 HE ARG 32 -7.459 -0.660 -7.847 230 HH11 ARG 32 1HH1 ARG 32 -7.890 -2.992 -10.461 231 HH12 ARG 32 2HH1 ARG 32 -8.636 -1.739 -9.543 232 HH21 ARG 32 1HH2 ARG 32 -5.655 -3.629 -9.995 233 HH22 ARG 32 2HH2 ARG 32 -4.801 -2.809 -8.738 234 H LEU 33 H LEU 33 -2.891 0.972 -4.153 235 HA LEU 33 HA LEU 33 -5.198 2.778 -4.037 236 HB2 LEU 33 2HB LEU 33 -2.569 4.016 -4.126 237 HB3 LEU 33 3HB LEU 33 -3.881 4.102 -2.926 238 HG LEU 33 HG LEU 33 -1.833 1.862 -2.884 239 HD11 LEU 33 1HD1 LEU 33 -1.631 4.400 -1.265 240 HD12 LEU 33 2HD1 LEU 33 -0.548 3.008 -1.274 241 HD13 LEU 33 3HD1 LEU 33 -0.652 4.038 -2.709 242 HD21 LEU 33 1HD2 LEU 33 -2.543 1.709 -0.535 243 HD22 LEU 33 2HD2 LEU 33 -3.638 3.089 -0.748 244 HD23 LEU 33 3HD2 LEU 33 -3.959 1.550 -1.580 245 HA PRO 34 HA PRO 34 -5.070 3.548 -8.287 246 HB2 PRO 34 2HB PRO 34 -5.042 6.280 -8.638 247 HB3 PRO 34 3HB PRO 34 -6.441 5.378 -7.975 248 HG2 PRO 34 2HG PRO 34 -4.245 6.793 -6.414 249 HG3 PRO 34 3HG PRO 34 -6.021 6.946 -6.214 250 HD2 PRO 34 2HD PRO 34 -4.568 5.308 -4.649 251 HD3 PRO 34 3HD PRO 34 -6.170 4.777 -5.247 252 H CYS 35 H CYS 35 -2.281 4.614 -6.472 253 HA CYS 35 HA CYS 35 -0.768 5.565 -8.866 254 HB2 CYS 35 2HB CYS 35 0.611 6.526 -7.344 255 HB3 CYS 35 3HB CYS 35 -0.932 6.693 -6.526 256 H MET 36 H MET 36 -1.697 2.769 -8.658 257 HA MET 36 HA MET 36 -1.148 0.687 -8.572 258 HB2 MET 36 2HB MET 36 1.022 1.771 -10.397 259 HB3 MET 36 3HB MET 36 0.755 0.038 -10.125 260 HG2 MET 36 2HG MET 36 -1.659 0.359 -10.764 261 HG3 MET 36 3HG MET 36 -1.272 2.024 -11.203 262 HE1 MET 36 1HE MET 36 0.124 -1.800 -13.432 263 HE2 MET 36 2HE MET 36 0.616 -1.472 -11.763 264 HE3 MET 36 3HE MET 36 -1.097 -1.759 -12.143 265 H HIS 37 H HIS 37 -0.842 0.816 -6.315 266 HA HIS 37 HA HIS 37 1.656 -0.525 -5.643 267 HB2 HIS 37 1HB HIS 37 0.844 2.208 -4.609 268 HB3 HIS 37 2HB HIS 37 1.517 1.051 -3.470 269 HD2 HIS 37 2HD HIS 37 3.898 -0.165 -4.268 270 HE1 HIS 37 1HE HIS 37 5.238 3.102 -6.633 271 HE2 HIS 37 2HE HIS 37 5.925 0.894 -5.533 272 H LEU 38 H LEU 38 1.155 -2.150 -4.082 273 HA LEU 38 HA LEU 38 -1.497 -2.047 -2.857 274 HB2 LEU 38 2HB LEU 38 -2.287 -4.010 -3.495 275 HB3 LEU 38 3HB LEU 38 -1.466 -3.541 -4.987 276 HG LEU 38 HG LEU 38 -0.312 -5.422 -2.870 277 HD11 LEU 38 1HD1 LEU 38 -1.598 -6.045 -5.548 278 HD12 LEU 38 2HD1 LEU 38 -0.888 -7.203 -4.400 279 HD13 LEU 38 3HD1 LEU 38 -2.347 -6.300 -3.955 280 HD21 LEU 38 1HD2 LEU 38 0.538 -4.951 -5.763 281 HD22 LEU 38 2HD2 LEU 38 1.270 -4.092 -4.404 282 HD23 LEU 38 3HD2 LEU 38 1.404 -5.841 -4.493 283 H PHE 39 H PHE 39 -1.475 -2.668 -0.746 284 HA PHE 39 HA PHE 39 1.180 -3.607 0.272 285 HB2 PHE 39 2HB PHE 39 -0.419 -1.198 1.208 286 HB3 PHE 39 3HB PHE 39 1.006 -1.811 2.018 287 HD1 PHE 39 1HD PHE 39 0.344 1.022 0.811 288 HD2 PHE 39 2HD PHE 39 2.707 -2.299 -0.584 289 HE1 PHE 39 1HE PHE 39 1.755 2.565 -0.513 290 HE2 PHE 39 2HE PHE 39 4.056 -0.781 -1.947 291 HZ PHE 39 HZ PHE 39 3.605 1.678 -1.914 292 H HIS 40 H HIS 40 -1.914 -2.554 1.790 293 HA HIS 40 HA HIS 40 -2.525 -5.245 2.673 294 HB2 HIS 40 1HB HIS 40 -0.904 -3.546 4.334 295 HB3 HIS 40 2HB HIS 40 -2.498 -3.570 5.049 296 HD2 HIS 40 2HD HIS 40 -3.128 -6.788 4.401 297 HE1 HIS 40 1HE HIS 40 -0.074 -7.249 7.320 298 HE2 HIS 40 2HE HIS 40 -2.060 -8.355 6.177 299 H GLN 41 H GLN 41 -4.760 -5.038 3.979 300 HA GLN 41 HA GLN 41 -6.258 -2.693 3.043 301 HB2 GLN 41 2HB GLN 41 -7.311 -4.881 3.200 302 HB3 GLN 41 3HB GLN 41 -7.013 -4.970 4.932 303 HG2 GLN 41 2HG GLN 41 -8.613 -2.696 3.668 304 HG3 GLN 41 3HG GLN 41 -9.356 -4.243 4.083 305 HE21 GLN 41 1HE2 GLN 41 -8.785 -1.124 5.329 306 HE22 GLN 41 2HE2 GLN 41 -8.989 -1.559 7.011 307 H VAL 42 H VAL 42 -5.805 -3.962 6.368 308 HA VAL 42 HA VAL 42 -6.463 -1.686 7.692 309 HB VAL 42 HB VAL 42 -4.402 -3.776 8.533 310 HG11 VAL 42 1HG1 VAL 42 -5.996 -1.798 10.223 311 HG12 VAL 42 2HG1 VAL 42 -5.051 -3.160 10.864 312 HG13 VAL 42 3HG1 VAL 42 -4.228 -1.839 10.031 313 HG21 VAL 42 1HG2 VAL 42 -7.412 -3.590 8.998 314 HG22 VAL 42 2HG2 VAL 42 -6.584 -4.795 7.992 315 HG23 VAL 42 3HG2 VAL 42 -6.336 -4.795 9.735 316 H CYS 43 H CYS 43 -3.006 -2.497 6.894 317 HA CYS 43 HA CYS 43 -1.896 -0.249 8.219 318 HB2 CYS 43 2HB CYS 43 -0.813 -1.601 5.732 319 HB3 CYS 43 3HB CYS 43 0.063 -0.713 6.996 320 H VAL 44 H VAL 44 -2.935 -0.590 4.775 321 HA VAL 44 HA VAL 44 -2.147 1.976 3.914 322 HB VAL 44 HB VAL 44 -4.452 0.165 3.100 323 HG11 VAL 44 1HG1 VAL 44 -3.606 2.791 1.808 324 HG12 VAL 44 2HG1 VAL 44 -4.664 1.565 1.060 325 HG13 VAL 44 3HG1 VAL 44 -5.197 2.409 2.513 326 HG21 VAL 44 1HG2 VAL 44 -1.843 0.958 1.741 327 HG22 VAL 44 2HG2 VAL 44 -2.106 -0.548 2.647 328 HG23 VAL 44 3HG2 VAL 44 -3.019 -0.244 1.156 329 H ASP 45 H ASP 45 -5.199 0.865 5.412 330 HA ASP 45 HA ASP 45 -6.265 3.560 5.566 331 HB2 ASP 45 2HB ASP 45 -7.189 0.839 6.586 332 HB3 ASP 45 3HB ASP 45 -8.157 2.305 6.709 333 H GLN 46 H GLN 46 -3.721 2.990 7.047 334 HA GLN 46 HA GLN 46 -4.576 4.191 9.619 335 HB2 GLN 46 2HB GLN 46 -3.940 1.673 9.776 336 HB3 GLN 46 3HB GLN 46 -2.288 2.197 9.426 337 HG2 GLN 46 2HG GLN 46 -2.547 3.826 11.407 338 HG3 GLN 46 3HG GLN 46 -4.054 2.978 11.782 339 HE21 GLN 46 1HE2 GLN 46 -3.902 0.984 12.945 340 HE22 GLN 46 2HE2 GLN 46 -2.339 0.270 13.320 341 H ARG 47 H ARG 47 -1.796 3.453 7.444 342 HA ARG 47 HA ARG 47 -0.388 5.808 8.419 343 HB2 ARG 47 2HB ARG 47 0.631 3.567 8.155 344 HB3 ARG 47 3HB ARG 47 0.478 3.737 6.401 345 HG2 ARG 47 2HG ARG 47 1.854 5.919 7.962 346 HG3 ARG 47 3HG ARG 47 2.716 4.397 7.760 347 HD2 ARG 47 2HD ARG 47 3.084 4.703 5.521 348 HD3 ARG 47 3HD ARG 47 1.510 5.431 5.253 349 HE ARG 47 HE ARG 47 2.266 7.501 5.705 350 HH11 ARG 47 1HH1 ARG 47 5.553 8.637 6.422 351 HH12 ARG 47 2HH1 ARG 47 3.977 9.098 5.891 352 HH21 ARG 47 1HH2 ARG 47 6.018 6.350 6.875 353 HH22 ARG 47 2HH2 ARG 47 4.756 5.190 6.675 354 H LEU 48 H LEU 48 -2.537 5.185 5.768 355 HA LEU 48 HA LEU 48 -1.638 7.742 4.503 356 HB2 LEU 48 2HB LEU 48 -3.387 5.489 3.431 357 HB3 LEU 48 3HB LEU 48 -3.274 7.060 2.693 358 HG LEU 48 HG LEU 48 -1.893 5.663 1.445 359 HD11 LEU 48 1HD1 LEU 48 0.266 6.714 1.530 360 HD12 LEU 48 2HD1 LEU 48 -0.960 7.927 1.951 361 HD13 LEU 48 3HD1 LEU 48 0.042 7.188 3.226 362 HD21 LEU 48 1HD2 LEU 48 -1.578 3.871 3.114 363 HD22 LEU 48 2HD2 LEU 48 -0.091 4.292 2.247 364 HD23 LEU 48 3HD2 LEU 48 -0.332 4.844 3.915 365 H ILE 49 H ILE 49 -2.931 7.521 7.140 366 HA ILE 49 HA ILE 49 -5.526 8.819 6.622 367 HB ILE 49 HB ILE 49 -3.860 8.477 9.149 368 HG12 ILE 49 2HG1 ILE 49 -4.872 6.382 8.213 369 HG13 ILE 49 3HG1 ILE 49 -5.436 6.813 9.823 370 HG21 ILE 49 1HG2 ILE 49 -5.171 10.500 9.410 371 HG22 ILE 49 2HG2 ILE 49 -6.618 9.714 8.758 372 HG23 ILE 49 3HG2 ILE 49 -5.961 9.212 10.331 373 HD11 ILE 49 1HD1 ILE 49 -6.969 7.274 7.224 374 HD12 ILE 49 2HD1 ILE 49 -7.238 5.963 8.381 375 HD13 ILE 49 3HD1 ILE 49 -7.562 7.630 8.869 376 H THR 50 H THR 50 -2.411 9.956 8.230 377 HA THR 50 HA THR 50 -3.098 12.652 7.384 378 HB THR 50 HB THR 50 -1.015 13.177 8.693 379 HG1 THR 50 1HG THR 50 0.176 11.378 8.436 380 HG21 THR 50 1HG2 THR 50 -3.244 13.021 9.805 381 HG22 THR 50 2HG2 THR 50 -2.931 11.302 10.149 382 HG23 THR 50 3HG2 THR 50 -1.900 12.552 10.865 383 H ASN 51 H ASN 51 -2.429 10.724 5.143 384 HA ASN 51 HA ASN 51 -0.921 12.639 3.690 385 HB2 ASN 51 2HB ASN 51 1.075 11.476 4.572 386 HB3 ASN 51 3HB ASN 51 0.409 9.909 4.055 387 HD21 ASN 51 1HD2 ASN 51 1.659 9.280 2.204 388 HD22 ASN 51 2HD2 ASN 51 1.992 10.360 0.868 389 H LYS 52 H LYS 52 -1.209 12.220 1.369 390 HA LYS 52 HA LYS 52 -2.440 9.707 0.594 391 HB2 LYS 52 2HB LYS 52 -4.449 10.712 -0.397 392 HB3 LYS 52 3HB LYS 52 -4.445 10.828 1.353 393 HG2 LYS 52 2HG LYS 52 -4.587 13.082 1.312 394 HG3 LYS 52 3HG LYS 52 -3.243 13.241 0.183 395 HD2 LYS 52 2HD LYS 52 -4.696 12.809 -1.723 396 HD3 LYS 52 3HD LYS 52 -6.085 12.515 -0.655 397 HE2 LYS 52 2HE LYS 52 -6.068 14.807 0.124 398 HE3 LYS 52 3HE LYS 52 -4.511 15.116 -0.682 399 HZ1 LYS 52 1HZ LYS 52 -6.391 15.987 -1.923 400 HZ2 LYS 52 2HZ LYS 52 -5.503 14.907 -2.760 401 HZ3 LYS 52 3HZ LYS 52 -6.973 14.453 -2.161 402 H LYS 53 H LYS 53 -0.046 10.278 -0.226 403 HA LYS 53 HA LYS 53 -0.462 10.751 -3.011 404 HB2 LYS 53 2HB LYS 53 1.044 12.543 -3.456 405 HB3 LYS 53 3HB LYS 53 -0.277 13.056 -2.397 406 HG2 LYS 53 2HG LYS 53 1.358 12.725 -0.447 407 HG3 LYS 53 3HG LYS 53 2.630 12.629 -1.667 408 HD2 LYS 53 2HD LYS 53 0.747 14.965 -1.094 409 HD3 LYS 53 3HD LYS 53 2.487 14.891 -0.842 410 HE2 LYS 53 2HE LYS 53 2.441 16.076 -2.802 411 HE3 LYS 53 3HE LYS 53 2.588 14.435 -3.438 412 HZ1 LYS 53 1HZ LYS 53 0.148 14.477 -3.796 413 HZ2 LYS 53 2HZ LYS 53 0.043 15.955 -3.206 414 HZ3 LYS 53 3HZ LYS 53 0.865 15.691 -4.594 415 H CYS 54 H CYS 54 0.997 9.635 -4.236 416 HA CYS 54 HA CYS 54 3.088 7.869 -3.020 417 HB2 CYS 54 2HB CYS 54 1.606 8.129 -5.596 418 HB3 CYS 54 3HB CYS 54 3.347 7.933 -5.752 419 HA PRO 55 HA PRO 55 5.751 11.475 -3.585 420 HB2 PRO 55 2HB PRO 55 8.198 10.340 -3.063 421 HB3 PRO 55 3HB PRO 55 7.007 10.745 -1.790 422 HG2 PRO 55 2HG PRO 55 7.504 8.053 -3.081 423 HG3 PRO 55 3HG PRO 55 7.297 8.432 -1.345 424 HD2 PRO 55 2HD PRO 55 5.255 7.482 -2.894 425 HD3 PRO 55 3HD PRO 55 4.961 8.662 -1.577 426 H ILE 56 H ILE 56 6.770 8.347 -5.044 427 HA ILE 56 HA ILE 56 8.120 9.866 -7.125 428 HB ILE 56 HB ILE 56 7.786 6.872 -6.653 429 HG12 ILE 56 2HG1 ILE 56 10.195 8.746 -6.416 430 HG13 ILE 56 3HG1 ILE 56 9.206 8.219 -5.054 431 HG21 ILE 56 1HG2 ILE 56 9.492 6.556 -8.440 432 HG22 ILE 56 2HG2 ILE 56 8.030 7.273 -9.091 433 HG23 ILE 56 3HG2 ILE 56 9.446 8.300 -8.788 434 HD11 ILE 56 1HD1 ILE 56 10.954 6.442 -6.793 435 HD12 ILE 56 2HD1 ILE 56 11.172 6.861 -5.090 436 HD13 ILE 56 3HD1 ILE 56 9.804 5.838 -5.572 437 H CYS 57 H CYS 57 5.230 7.673 -6.964 438 HA CYS 57 HA CYS 57 4.555 7.858 -9.754 439 HB2 CYS 57 2HB CYS 57 2.383 7.747 -7.740 440 HB3 CYS 57 3HB CYS 57 2.609 6.825 -9.210 441 H ARG 58 H ARG 58 4.179 10.126 -7.068 442 HA ARG 58 HA ARG 58 3.443 12.217 -6.916 443 HB2 ARG 58 2HB ARG 58 5.229 12.225 -8.817 444 HB3 ARG 58 3HB ARG 58 3.865 12.551 -9.897 445 HG2 ARG 58 2HG ARG 58 3.303 14.564 -8.472 446 HG3 ARG 58 3HG ARG 58 4.710 14.180 -7.454 447 HD2 ARG 58 2HD ARG 58 6.130 14.285 -9.558 448 HD3 ARG 58 3HD ARG 58 4.705 14.929 -10.403 449 HE ARG 58 HE ARG 58 5.117 16.470 -8.077 450 HH11 ARG 58 1HH1 ARG 58 7.348 18.852 -9.432 451 HH12 ARG 58 2HH1 ARG 58 6.306 18.481 -8.109 452 HH21 ARG 58 1HH2 ARG 58 7.598 17.293 -11.213 453 HH22 ARG 58 2HH2 ARG 58 6.709 15.812 -11.145 454 H VAL 59 H VAL 59 1.449 10.394 -7.043 455 HA VAL 59 HA VAL 59 -0.771 11.848 -8.384 456 HB VAL 59 HB VAL 59 -0.199 8.869 -8.146 457 HG11 VAL 59 1HG1 VAL 59 -2.910 10.156 -8.695 458 HG12 VAL 59 2HG1 VAL 59 -2.512 8.451 -8.995 459 HG13 VAL 59 3HG1 VAL 59 -2.494 9.073 -7.346 460 HG21 VAL 59 1HG2 VAL 59 0.539 10.079 -10.201 461 HG22 VAL 59 2HG2 VAL 59 -0.719 8.884 -10.548 462 HG23 VAL 59 3HG2 VAL 59 -1.130 10.612 -10.473 463 H ASP 60 H ASP 60 -2.506 12.247 -6.972 464 HA ASP 60 HA ASP 60 -1.976 11.845 -4.124 465 HB2 ASP 60 2HB ASP 60 -3.948 13.385 -5.747 466 HB3 ASP 60 3HB ASP 60 -4.533 12.729 -4.218 467 H ILE 61 H ILE 61 -2.642 10.146 -3.030 468 HA ILE 61 HA ILE 61 -3.393 7.771 -4.373 469 HB ILE 61 HB ILE 61 -3.184 8.530 -1.420 470 HG12 ILE 61 2HG1 ILE 61 -1.055 8.876 -2.265 471 HG13 ILE 61 3HG1 ILE 61 -0.950 7.250 -1.642 472 HG21 ILE 61 1HG2 ILE 61 -2.883 6.270 -0.866 473 HG22 ILE 61 2HG2 ILE 61 -4.379 6.320 -1.831 474 HG23 ILE 61 3HG2 ILE 61 -2.854 5.801 -2.586 475 HD11 ILE 61 1HD1 ILE 61 -1.191 8.187 -4.518 476 HD12 ILE 61 2HD1 ILE 61 0.111 7.263 -3.751 477 HD13 ILE 61 3HD1 ILE 61 -1.458 6.494 -4.055 478 H GLU 62 H GLU 62 -5.117 10.027 -2.370 479 HA GLU 62 HA GLU 62 -7.148 10.166 -1.471 480 HB2 GLU 62 2HB GLU 62 -7.741 10.404 -3.776 481 HB3 GLU 62 3HB GLU 62 -7.972 8.658 -3.946 482 HG2 GLU 62 2HG GLU 62 -9.818 8.691 -2.327 483 HG3 GLU 62 3HG GLU 62 -9.473 10.375 -1.915 484 H ALA 63 H ALA 63 -7.922 9.350 0.304 485 HA ALA 63 HA ALA 63 -8.747 6.535 0.416 486 HB1 ALA 63 1HB ALA 63 -7.041 7.908 2.546 487 HB2 ALA 63 2HB ALA 63 -7.854 6.339 2.716 488 HB3 ALA 63 3HB ALA 63 -6.550 6.537 1.527 489 H GLN 64 H GLN 64 -10.640 7.629 -0.130 490 HA GLN 64 HA GLN 64 -12.408 9.144 0.126 491 HB2 GLN 64 2HB GLN 64 -12.881 6.704 0.517 492 HB3 GLN 64 3HB GLN 64 -12.748 7.001 2.252 493 HG2 GLN 64 2HG GLN 64 -14.603 8.838 1.831 494 HG3 GLN 64 3HG GLN 64 -14.831 8.020 0.286 495 HE21 GLN 64 1HE2 GLN 64 -15.246 7.832 3.781 496 HE22 GLN 64 2HE2 GLN 64 -16.203 6.353 3.753 497 H LEU 65 H LEU 65 -11.467 11.093 0.956 498 HA LEU 65 HA LEU 65 -11.199 12.844 2.387 499 HB2 LEU 65 2HB LEU 65 -13.497 11.494 3.808 500 HB3 LEU 65 3HB LEU 65 -12.759 12.967 4.414 501 HG LEU 65 HG LEU 65 -13.590 12.898 1.516 502 HD11 LEU 65 1HD1 LEU 65 -15.859 13.664 2.160 503 HD12 LEU 65 2HD1 LEU 65 -15.547 11.997 2.673 504 HD13 LEU 65 3HD1 LEU 65 -15.485 13.314 3.865 505 HD21 LEU 65 1HD2 LEU 65 -13.656 15.058 3.675 506 HD22 LEU 65 2HD2 LEU 65 -12.355 14.850 2.487 507 HD23 LEU 65 3HD2 LEU 65 -13.986 15.289 1.946 508 HA PRO 66 HA PRO 66 -8.420 10.268 4.950 509 HB2 PRO 66 2HB PRO 66 -6.036 11.397 4.217 510 HB3 PRO 66 3HB PRO 66 -6.903 10.210 3.204 511 HG2 PRO 66 2HG PRO 66 -6.961 13.234 2.981 512 HG3 PRO 66 3HG PRO 66 -6.689 12.026 1.681 513 HD2 PRO 66 2HD PRO 66 -9.129 13.138 2.138 514 HD3 PRO 66 3HD PRO 66 -8.961 11.428 1.620 515 H SER 67 H SER 67 -9.680 11.410 6.616 516 HA SER 67 HA SER 67 -7.896 12.628 8.430 517 HB2 SER 67 2HB SER 67 -9.029 14.740 8.825 518 HB3 SER 67 3HB SER 67 -8.489 14.689 7.152 519 HG SER 67 HG SER 67 -10.942 14.966 8.152 520 H GLU 68 H GLU 68 -10.140 13.570 10.205 521 HA GLU 68 HA GLU 68 -11.989 11.316 10.301 522 HB2 GLU 68 2HB GLU 68 -9.738 11.611 12.283 523 HB3 GLU 68 3HB GLU 68 -11.345 11.196 12.901 524 HG2 GLU 68 2HG GLU 68 -11.501 9.279 11.386 525 HG3 GLU 68 3HG GLU 68 -9.896 9.634 10.733 526 H SER 69 H SER 69 -12.944 13.324 9.540 527 HA SER 69 HA SER 69 -13.843 15.395 9.587 528 HB2 SER 69 2HB SER 69 -13.795 15.295 12.623 529 HB3 SER 69 3HB SER 69 -14.622 16.479 11.600 530 HG SER 69 HG SER 69 -15.061 13.680 11.574 Start of MODEL 6 1 H1 MET 1 H1 MET 1 2.194 -35.357 10.837 2 H2 MET 1 H2 MET 1 1.633 -36.414 9.703 3 H3 MET 1 H3 MET 1 1.699 -34.802 9.370 4 HA MET 1 HA MET 1 -0.564 -35.451 9.819 5 HB2 MET 1 2HB MET 1 0.662 -36.371 12.443 6 HB3 MET 1 3HB MET 1 -1.071 -36.119 12.212 7 HG2 MET 1 2HG MET 1 0.008 -37.780 10.065 8 HG3 MET 1 3HG MET 1 0.406 -38.448 11.651 9 HE1 MET 1 1HE MET 1 -2.556 -40.752 10.816 10 HE2 MET 1 2HE MET 1 -1.304 -40.181 9.689 11 HE3 MET 1 3HE MET 1 -0.869 -40.618 11.359 12 H LYS 2 H LYS 2 0.050 -33.059 9.312 13 HA LYS 2 HA LYS 2 -1.311 -31.503 11.125 14 HB2 LYS 2 2HB LYS 2 1.235 -31.692 12.130 15 HB3 LYS 2 3HB LYS 2 1.501 -30.391 10.997 16 HG2 LYS 2 2HG LYS 2 0.195 -28.901 12.192 17 HG3 LYS 2 3HG LYS 2 -0.947 -30.139 12.742 18 HD2 LYS 2 2HD LYS 2 1.905 -30.001 13.763 19 HD3 LYS 2 3HD LYS 2 0.559 -29.146 14.545 20 HE2 LYS 2 2HE LYS 2 -0.604 -31.139 15.072 21 HE3 LYS 2 3HE LYS 2 0.328 -32.111 13.931 22 HZ1 LYS 2 1HZ LYS 2 0.989 -32.492 16.211 23 HZ2 LYS 2 2HZ LYS 2 2.239 -31.885 15.333 24 HZ3 LYS 2 3HZ LYS 2 1.431 -30.915 16.391 25 H GLN 3 H GLN 3 -0.762 -28.944 10.266 26 HA GLN 3 HA GLN 3 0.182 -28.949 7.544 27 HB2 GLN 3 2HB GLN 3 -2.234 -29.523 7.250 28 HB3 GLN 3 3HB GLN 3 -2.681 -28.086 8.186 29 HG2 GLN 3 2HG GLN 3 -1.671 -26.625 6.481 30 HG3 GLN 3 3HG GLN 3 -1.059 -28.041 5.603 31 HE21 GLN 3 1HE2 GLN 3 -2.265 -27.206 3.686 32 HE22 GLN 3 2HE2 GLN 3 -3.999 -27.490 3.639 33 H ASP 4 H ASP 4 0.891 -26.839 7.033 34 HA ASP 4 HA ASP 4 0.635 -24.756 9.136 35 HB2 ASP 4 2HB ASP 4 3.211 -25.878 7.962 36 HB3 ASP 4 3HB ASP 4 3.098 -24.375 8.883 37 H GLY 5 H GLY 5 2.544 -25.191 6.163 38 HA2 GLY 5 2HA GLY 5 0.831 -23.985 4.316 39 HA3 GLY 5 3HA GLY 5 1.852 -22.693 4.996 40 H GLU 6 H GLU 6 2.667 -22.686 2.607 41 HA GLU 6 HA GLU 6 5.184 -24.057 2.643 42 HB2 GLU 6 2HB GLU 6 5.026 -24.969 0.386 43 HB3 GLU 6 3HB GLU 6 3.838 -25.728 1.446 44 HG2 GLU 6 2HG GLU 6 2.085 -24.160 0.505 45 HG3 GLU 6 3HG GLU 6 3.295 -23.578 -0.648 46 H GLU 7 H GLU 7 6.540 -23.070 0.760 47 HA GLU 7 HA GLU 7 5.733 -20.291 0.171 48 HB2 GLU 7 2HB GLU 7 8.122 -21.247 1.794 49 HB3 GLU 7 3HB GLU 7 8.161 -19.712 0.916 50 HG2 GLU 7 2HG GLU 7 6.445 -18.752 2.225 51 HG3 GLU 7 3HG GLU 7 5.919 -20.312 2.866 52 H GLY 8 H GLY 8 7.277 -19.396 -1.482 53 HA2 GLY 8 2HA GLY 8 8.225 -21.580 -3.299 54 HA3 GLY 8 3HA GLY 8 7.513 -20.047 -3.829 55 H THR 9 H THR 9 9.299 -19.255 -5.001 56 HA THR 9 HA THR 9 11.508 -18.210 -3.406 57 HB THR 9 HB THR 9 12.242 -20.508 -3.816 58 HG1 THR 9 1HG THR 9 13.574 -18.577 -5.381 59 HG21 THR 9 1HG2 THR 9 12.716 -21.298 -6.109 60 HG22 THR 9 2HG2 THR 9 10.982 -21.060 -5.828 61 HG23 THR 9 3HG2 THR 9 11.899 -19.865 -6.771 62 H GLU 10 H GLU 10 9.320 -16.948 -4.857 63 HA GLU 10 HA GLU 10 10.848 -15.424 -6.791 64 HB2 GLU 10 2HB GLU 10 9.962 -17.229 -8.211 65 HB3 GLU 10 3HB GLU 10 8.344 -17.017 -7.538 66 HG2 GLU 10 2HG GLU 10 8.535 -16.006 -9.770 67 HG3 GLU 10 3HG GLU 10 8.164 -14.789 -8.551 68 H GLU 11 H GLU 11 10.115 -13.259 -6.540 69 HA GLU 11 HA GLU 11 7.557 -12.588 -5.398 70 HB2 GLU 11 2HB GLU 11 8.240 -12.020 -3.110 71 HB3 GLU 11 3HB GLU 11 8.413 -13.736 -3.422 72 HG2 GLU 11 2HG GLU 11 10.948 -13.050 -4.000 73 HG3 GLU 11 3HG GLU 11 10.548 -11.654 -2.989 74 H ASP 12 H ASP 12 7.403 -10.619 -6.646 75 HA ASP 12 HA ASP 12 9.187 -8.550 -5.671 76 HB2 ASP 12 2HB ASP 12 10.359 -9.389 -7.725 77 HB3 ASP 12 3HB ASP 12 8.929 -8.929 -8.670 78 H THR 13 H THR 13 8.102 -6.777 -5.364 79 HA THR 13 HA THR 13 6.126 -5.786 -4.610 80 HB THR 13 HB THR 13 6.219 -5.180 -7.576 81 HG1 THR 13 1HG THR 13 8.358 -5.241 -6.805 82 HG21 THR 13 1HG2 THR 13 4.596 -3.859 -6.023 83 HG22 THR 13 2HG2 THR 13 6.049 -3.282 -5.189 84 HG23 THR 13 3HG2 THR 13 5.796 -2.908 -6.906 85 H GLU 14 H GLU 14 5.295 -8.589 -5.207 86 HA GLU 14 HA GLU 14 2.698 -8.261 -6.508 87 HB2 GLU 14 2HB GLU 14 4.327 -10.528 -5.387 88 HB3 GLU 14 3HB GLU 14 2.570 -10.748 -5.557 89 HG2 GLU 14 2HG GLU 14 4.302 -9.859 -7.878 90 HG3 GLU 14 3HG GLU 14 4.026 -11.553 -7.480 91 H GLU 15 H GLU 15 3.625 -9.530 -3.220 92 HA GLU 15 HA GLU 15 1.279 -8.003 -2.146 93 HB2 GLU 15 2HB GLU 15 0.621 -9.960 -0.848 94 HB3 GLU 15 3HB GLU 15 0.462 -10.216 -2.578 95 HG2 GLU 15 2HG GLU 15 3.073 -11.082 -1.342 96 HG3 GLU 15 3HG GLU 15 1.637 -11.983 -0.879 97 H LYS 16 H LYS 16 3.562 -6.831 -1.850 98 HA LYS 16 HA LYS 16 4.609 -7.666 0.820 99 HB2 LYS 16 2HB LYS 16 6.176 -6.322 -1.408 100 HB3 LYS 16 3HB LYS 16 6.790 -6.859 0.166 101 HG2 LYS 16 2HG LYS 16 5.887 -9.202 -0.493 102 HG3 LYS 16 3HG LYS 16 5.749 -8.590 -2.126 103 HD2 LYS 16 2HD LYS 16 8.366 -8.587 -0.557 104 HD3 LYS 16 3HD LYS 16 7.834 -9.925 -1.593 105 HE2 LYS 16 2HE LYS 16 7.642 -8.323 -3.494 106 HE3 LYS 16 3HE LYS 16 8.264 -7.050 -2.446 107 HZ1 LYS 16 1HZ LYS 16 10.070 -8.007 -3.755 108 HZ2 LYS 16 2HZ LYS 16 10.296 -8.503 -2.202 109 HZ3 LYS 16 3HZ LYS 16 9.690 -9.529 -3.330 110 H CYS 17 H CYS 17 4.011 -6.313 2.382 111 HA CYS 17 HA CYS 17 2.840 -3.639 1.839 112 HB2 CYS 17 2HB CYS 17 2.000 -5.181 3.568 113 HB3 CYS 17 3HB CYS 17 3.544 -5.058 4.423 114 H THR 18 H THR 18 4.218 -1.928 1.459 115 HA THR 18 HA THR 18 6.994 -2.178 2.512 116 HB THR 18 HB THR 18 7.422 -0.298 0.940 117 HG1 THR 18 1HG THR 18 5.173 -0.685 -0.495 118 HG21 THR 18 1HG2 THR 18 6.071 -2.717 -0.407 119 HG22 THR 18 2HG2 THR 18 7.280 -1.643 -1.123 120 HG23 THR 18 3HG2 THR 18 7.722 -2.723 0.206 121 H ILE 19 H ILE 19 4.003 -1.092 3.516 122 HA ILE 19 HA ILE 19 4.750 1.426 4.727 123 HB ILE 19 HB ILE 19 2.391 -0.341 5.412 124 HG12 ILE 19 2HG1 ILE 19 2.936 1.423 3.030 125 HG13 ILE 19 3HG1 ILE 19 2.052 -0.122 3.147 126 HG21 ILE 19 1HG2 ILE 19 2.987 1.496 6.990 127 HG22 ILE 19 2HG2 ILE 19 2.899 2.646 5.642 128 HG23 ILE 19 3HG2 ILE 19 1.445 1.765 6.194 129 HD11 ILE 19 1HD1 ILE 19 0.530 1.613 2.657 130 HD12 ILE 19 2HD1 ILE 19 0.242 1.028 4.314 131 HD13 ILE 19 3HD1 ILE 19 1.087 2.583 4.050 132 H CYS 20 H CYS 20 3.918 -1.867 5.965 133 HA CYS 20 HA CYS 20 5.281 -1.374 8.597 134 HB2 CYS 20 2HB CYS 20 4.147 -3.412 9.226 135 HB3 CYS 20 3HB CYS 20 2.996 -2.208 8.659 136 H LEU 21 H LEU 21 6.512 -1.920 5.743 137 HA LEU 21 HA LEU 21 8.176 -3.174 4.827 138 HB2 LEU 21 2HB LEU 21 9.117 -2.838 7.699 139 HB3 LEU 21 3HB LEU 21 10.171 -3.203 6.335 140 HG LEU 21 HG LEU 21 8.457 -0.679 6.491 141 HD11 LEU 21 1HD1 LEU 21 10.062 -0.704 8.341 142 HD12 LEU 21 2HD1 LEU 21 11.387 -1.079 7.216 143 HD13 LEU 21 3HD1 LEU 21 10.539 0.482 7.115 144 HD21 LEU 21 1HD2 LEU 21 10.837 -1.450 4.740 145 HD22 LEU 21 2HD2 LEU 21 9.148 -1.292 4.199 146 HD23 LEU 21 3HD2 LEU 21 10.026 0.132 4.755 147 H SER 22 H SER 22 6.211 -5.025 5.109 148 HA SER 22 HA SER 22 7.807 -7.396 5.616 149 HB2 SER 22 2HB SER 22 5.858 -8.352 7.077 150 HB3 SER 22 3HB SER 22 7.132 -7.375 7.816 151 HG SER 22 HG SER 22 5.757 -5.600 7.784 152 H ILE 23 H ILE 23 6.917 -9.300 4.724 153 HA ILE 23 HA ILE 23 5.136 -8.766 2.474 154 HB ILE 23 HB ILE 23 6.747 -11.195 3.362 155 HG12 ILE 23 2HG1 ILE 23 7.924 -10.521 1.123 156 HG13 ILE 23 3HG1 ILE 23 7.147 -8.953 1.360 157 HG21 ILE 23 1HG2 ILE 23 4.895 -11.979 2.075 158 HG22 ILE 23 2HG2 ILE 23 5.091 -10.721 0.846 159 HG23 ILE 23 3HG2 ILE 23 6.291 -12.024 1.032 160 HD11 ILE 23 1HD1 ILE 23 9.537 -9.105 2.008 161 HD12 ILE 23 2HD1 ILE 23 8.497 -8.509 3.296 162 HD13 ILE 23 3HD1 ILE 23 9.076 -10.201 3.337 163 H LEU 24 H LEU 24 3.300 -10.238 2.073 164 HA LEU 24 HA LEU 24 1.780 -10.670 4.601 165 HB2 LEU 24 2HB LEU 24 0.703 -9.978 1.833 166 HB3 LEU 24 3HB LEU 24 -0.169 -10.002 3.355 167 HG LEU 24 HG LEU 24 2.125 -8.104 2.628 168 HD11 LEU 24 1HD1 LEU 24 0.312 -6.484 2.318 169 HD12 LEU 24 2HD1 LEU 24 0.163 -7.892 1.242 170 HD13 LEU 24 3HD1 LEU 24 -0.890 -7.765 2.669 171 HD21 LEU 24 1HD2 LEU 24 2.030 -8.446 5.014 172 HD22 LEU 24 2HD2 LEU 24 1.300 -6.882 4.649 173 HD23 LEU 24 3HD2 LEU 24 0.262 -8.290 5.020 174 H GLU 25 H GLU 25 1.355 -11.691 1.230 175 HA GLU 25 HA GLU 25 0.998 -13.649 0.217 176 HB2 GLU 25 2HB GLU 25 1.994 -15.241 2.559 177 HB3 GLU 25 3HB GLU 25 2.065 -15.581 0.817 178 HG2 GLU 25 2HG GLU 25 3.537 -13.425 0.694 179 HG3 GLU 25 3HG GLU 25 3.706 -13.660 2.452 180 H GLU 26 H GLU 26 -0.024 -16.030 0.805 181 HA GLU 26 HA GLU 26 -2.739 -15.315 0.936 182 HB2 GLU 26 2HB GLU 26 -1.529 -18.075 1.236 183 HB3 GLU 26 3HB GLU 26 -3.228 -17.725 0.970 184 HG2 GLU 26 2HG GLU 26 -2.759 -18.054 -1.195 185 HG3 GLU 26 3HG GLU 26 -2.248 -16.369 -1.148 186 H GLY 27 H GLY 27 -3.717 -14.653 2.598 187 HA2 GLY 27 2HA GLY 27 -4.490 -15.842 4.970 188 HA3 GLY 27 3HA GLY 27 -2.888 -15.142 5.327 189 H GLU 28 H GLU 28 -2.727 -12.867 3.916 190 HA GLU 28 HA GLU 28 -4.938 -11.285 5.128 191 HB2 GLU 28 2HB GLU 28 -2.013 -10.667 4.587 192 HB3 GLU 28 3HB GLU 28 -3.208 -9.430 4.995 193 HG2 GLU 28 2HG GLU 28 -2.343 -9.928 7.067 194 HG3 GLU 28 3HG GLU 28 -3.825 -10.886 7.020 195 H ASP 29 H ASP 29 -5.806 -9.491 4.102 196 HA ASP 29 HA ASP 29 -5.999 -9.750 1.204 197 HB2 ASP 29 2HB ASP 29 -7.522 -8.442 3.405 198 HB3 ASP 29 3HB ASP 29 -7.406 -7.473 1.942 199 H VAL 30 H VAL 30 -5.905 -7.762 -0.139 200 HA VAL 30 HA VAL 30 -3.700 -5.935 0.670 201 HB VAL 30 HB VAL 30 -2.773 -6.100 -1.589 202 HG11 VAL 30 1HG1 VAL 30 -1.668 -8.244 -1.309 203 HG12 VAL 30 2HG1 VAL 30 -1.927 -7.512 0.287 204 HG13 VAL 30 3HG1 VAL 30 -2.969 -8.839 -0.262 205 HG21 VAL 30 1HG2 VAL 30 -3.410 -7.933 -3.102 206 HG22 VAL 30 2HG2 VAL 30 -4.715 -8.421 -2.009 207 HG23 VAL 30 3HG2 VAL 30 -4.787 -6.851 -2.839 208 H ARG 31 H ARG 31 -3.649 -3.940 -0.768 209 HA ARG 31 HA ARG 31 -6.208 -3.329 -2.043 210 HB2 ARG 31 2HB ARG 31 -5.793 -2.452 0.599 211 HB3 ARG 31 3HB ARG 31 -5.268 -1.079 -0.364 212 HG2 ARG 31 2HG ARG 31 -7.484 -1.194 -1.610 213 HG3 ARG 31 3HG ARG 31 -7.986 -2.461 -0.465 214 HD2 ARG 31 2HD ARG 31 -7.395 -0.835 1.398 215 HD3 ARG 31 3HD ARG 31 -7.167 0.405 0.180 216 HE ARG 31 HE ARG 31 -9.623 -0.226 -0.474 217 HH11 ARG 31 1HH1 ARG 31 -11.462 1.316 2.124 218 HH12 ARG 31 2HH1 ARG 31 -11.434 0.997 0.419 219 HH21 ARG 31 1HH2 ARG 31 -9.567 0.808 3.502 220 HH22 ARG 31 2HH2 ARG 31 -8.546 -0.423 2.877 221 H ARG 32 H ARG 32 -5.935 -1.146 -3.236 222 HA ARG 32 HA ARG 32 -3.169 -0.360 -3.749 223 HB2 ARG 32 2HB ARG 32 -3.597 -0.467 -6.238 224 HB3 ARG 32 3HB ARG 32 -3.372 -2.035 -5.460 225 HG2 ARG 32 2HG ARG 32 -5.386 -2.764 -6.121 226 HG3 ARG 32 3HG ARG 32 -6.221 -1.360 -5.454 227 HD2 ARG 32 2HD ARG 32 -5.754 -0.049 -7.447 228 HD3 ARG 32 3HD ARG 32 -4.821 -1.396 -8.145 229 HE ARG 32 HE ARG 32 -7.353 -2.397 -7.467 230 HH11 ARG 32 1HH1 ARG 32 -8.926 -1.862 -10.573 231 HH12 ARG 32 2HH1 ARG 32 -8.961 -2.760 -9.103 232 HH21 ARG 32 1HH2 ARG 32 -7.198 -0.262 -10.936 233 HH22 ARG 32 2HH2 ARG 32 -6.020 -0.021 -9.692 234 H LEU 33 H LEU 33 -3.060 1.843 -4.458 235 HA LEU 33 HA LEU 33 -5.520 3.345 -4.147 236 HB2 LEU 33 2HB LEU 33 -2.782 4.492 -4.608 237 HB3 LEU 33 3HB LEU 33 -4.133 4.955 -3.567 238 HG LEU 33 HG LEU 33 -2.405 2.598 -2.825 239 HD11 LEU 33 1HD1 LEU 33 -0.905 4.482 -3.112 240 HD12 LEU 33 2HD1 LEU 33 -1.947 5.504 -2.100 241 HD13 LEU 33 3HD1 LEU 33 -1.138 4.095 -1.399 242 HD21 LEU 33 1HD2 LEU 33 -4.560 2.797 -1.660 243 HD22 LEU 33 2HD2 LEU 33 -3.215 3.227 -0.581 244 HD23 LEU 33 3HD2 LEU 33 -4.220 4.500 -1.276 245 HA PRO 34 HA PRO 34 -5.705 4.389 -8.450 246 HB2 PRO 34 2HB PRO 34 -5.878 7.100 -8.728 247 HB3 PRO 34 3HB PRO 34 -7.181 6.116 -7.987 248 HG2 PRO 34 2HG PRO 34 -4.989 7.666 -6.582 249 HG3 PRO 34 3HG PRO 34 -6.744 7.676 -6.228 250 HD2 PRO 34 2HD PRO 34 -4.987 6.174 -4.860 251 HD3 PRO 34 3HD PRO 34 -6.634 5.553 -5.189 252 H CYS 35 H CYS 35 -2.949 5.578 -6.632 253 HA CYS 35 HA CYS 35 -1.482 6.582 -9.017 254 HB2 CYS 35 2HB CYS 35 -0.010 7.385 -7.521 255 HB3 CYS 35 3HB CYS 35 -1.476 7.431 -6.528 256 H MET 36 H MET 36 -2.461 3.756 -8.885 257 HA MET 36 HA MET 36 -1.926 1.647 -8.755 258 HB2 MET 36 2HB MET 36 -0.465 0.933 -10.656 259 HB3 MET 36 3HB MET 36 -1.785 2.030 -11.070 260 HG2 MET 36 2HG MET 36 -0.258 3.926 -11.167 261 HG3 MET 36 3HG MET 36 1.093 2.915 -10.640 262 HE1 MET 36 1HE MET 36 2.509 3.824 -12.608 263 HE2 MET 36 2HE MET 36 2.015 3.776 -14.317 264 HE3 MET 36 3HE MET 36 1.143 4.820 -13.168 265 H HIS 37 H HIS 37 -1.172 1.856 -6.555 266 HA HIS 37 HA HIS 37 1.374 0.432 -6.435 267 HB2 HIS 37 1HB HIS 37 0.873 3.084 -5.066 268 HB3 HIS 37 2HB HIS 37 1.816 1.841 -4.246 269 HD2 HIS 37 2HD HIS 37 3.954 0.792 -5.589 270 HE1 HIS 37 1HE HIS 37 4.619 4.159 -8.098 271 HE2 HIS 37 2HE HIS 37 5.607 1.961 -7.247 272 H LEU 38 H LEU 38 1.009 -1.366 -5.314 273 HA LEU 38 HA LEU 38 -1.469 -1.737 -3.747 274 HB2 LEU 38 2HB LEU 38 -1.300 -3.428 -5.300 275 HB3 LEU 38 3HB LEU 38 0.449 -3.524 -5.227 276 HG LEU 38 HG LEU 38 -1.241 -4.371 -2.830 277 HD11 LEU 38 1HD1 LEU 38 -2.112 -5.560 -4.764 278 HD12 LEU 38 2HD1 LEU 38 -0.459 -6.034 -5.240 279 HD13 LEU 38 3HD1 LEU 38 -1.163 -6.654 -3.739 280 HD21 LEU 38 1HD2 LEU 38 1.011 -4.406 -2.137 281 HD22 LEU 38 2HD2 LEU 38 0.814 -6.016 -2.777 282 HD23 LEU 38 3HD2 LEU 38 1.610 -4.791 -3.769 283 H PHE 39 H PHE 39 -1.339 -2.246 -1.587 284 HA PHE 39 HA PHE 39 1.316 -2.643 -0.379 285 HB2 PHE 39 2HB PHE 39 -0.664 -0.571 0.640 286 HB3 PHE 39 3HB PHE 39 0.785 -1.103 1.488 287 HD1 PHE 39 1HD PHE 39 -0.335 1.686 0.060 288 HD2 PHE 39 2HD PHE 39 2.865 -1.118 -0.625 289 HE1 PHE 39 1HE PHE 39 0.995 3.455 -1.072 290 HE2 PHE 39 2HE PHE 39 4.138 0.643 -1.820 291 HZ PHE 39 HZ PHE 39 3.219 2.927 -2.024 292 H HIS 40 H HIS 40 -1.698 -2.115 1.516 293 HA HIS 40 HA HIS 40 -1.952 -5.013 2.038 294 HB2 HIS 40 1HB HIS 40 0.077 -4.039 3.253 295 HB3 HIS 40 2HB HIS 40 -0.995 -2.957 4.093 296 HD2 HIS 40 2HD HIS 40 -2.713 -6.295 4.076 297 HE1 HIS 40 1HE HIS 40 -0.218 -6.368 7.528 298 HE2 HIS 40 2HE HIS 40 -2.148 -7.520 6.306 299 H GLN 41 H GLN 41 -4.189 -5.306 2.747 300 HA GLN 41 HA GLN 41 -5.895 -2.996 2.781 301 HB2 GLN 41 2HB GLN 41 -6.121 -5.836 2.650 302 HB3 GLN 41 3HB GLN 41 -7.158 -5.335 3.958 303 HG2 GLN 41 2HG GLN 41 -7.219 -4.124 1.161 304 HG3 GLN 41 3HG GLN 41 -8.249 -5.450 1.667 305 HE21 GLN 41 1HE2 GLN 41 -10.198 -4.972 2.657 306 HE22 GLN 41 2HE2 GLN 41 -10.612 -3.357 3.213 307 H VAL 42 H VAL 42 -3.759 -3.432 5.097 308 HA VAL 42 HA VAL 42 -5.634 -2.531 7.212 309 HB VAL 42 HB VAL 42 -3.190 -4.296 7.658 310 HG11 VAL 42 1HG1 VAL 42 -5.353 -3.274 9.559 311 HG12 VAL 42 2HG1 VAL 42 -4.039 -4.390 9.986 312 HG13 VAL 42 3HG1 VAL 42 -3.665 -2.722 9.526 313 HG21 VAL 42 1HG2 VAL 42 -6.172 -4.929 7.757 314 HG22 VAL 42 2HG2 VAL 42 -4.970 -5.645 6.662 315 HG23 VAL 42 3HG2 VAL 42 -4.898 -5.990 8.394 316 H CYS 43 H CYS 43 -2.054 -2.681 6.431 317 HA CYS 43 HA CYS 43 -1.530 -0.303 7.981 318 HB2 CYS 43 2HB CYS 43 0.048 -1.366 5.629 319 HB3 CYS 43 3HB CYS 43 0.599 -0.273 6.917 320 H VAL 44 H VAL 44 -2.457 -0.715 4.522 321 HA VAL 44 HA VAL 44 -1.825 1.865 3.703 322 HB VAL 44 HB VAL 44 -2.709 -0.049 2.312 323 HG11 VAL 44 1HG1 VAL 44 -4.864 -0.420 3.660 324 HG12 VAL 44 2HG1 VAL 44 -5.474 1.085 2.942 325 HG13 VAL 44 3HG1 VAL 44 -5.061 -0.291 1.908 326 HG21 VAL 44 1HG2 VAL 44 -2.296 2.172 1.413 327 HG22 VAL 44 2HG2 VAL 44 -3.717 1.417 0.656 328 HG23 VAL 44 3HG2 VAL 44 -3.930 2.693 1.880 329 H ASP 45 H ASP 45 -4.664 0.685 5.549 330 HA ASP 45 HA ASP 45 -5.866 3.347 5.615 331 HB2 ASP 45 2HB ASP 45 -6.826 0.703 5.562 332 HB3 ASP 45 3HB ASP 45 -7.149 1.204 7.209 333 H GLN 46 H GLN 46 -3.272 2.906 6.872 334 HA GLN 46 HA GLN 46 -3.940 3.988 9.539 335 HB2 GLN 46 2HB GLN 46 -3.368 1.460 9.608 336 HB3 GLN 46 3HB GLN 46 -1.723 1.933 9.153 337 HG2 GLN 46 2HG GLN 46 -1.693 3.465 11.172 338 HG3 GLN 46 3HG GLN 46 -3.273 2.809 11.628 339 HE21 GLN 46 1HE2 GLN 46 -0.248 2.606 12.688 340 HE22 GLN 46 2HE2 GLN 46 -0.165 0.881 13.027 341 H ARG 47 H ARG 47 -1.465 3.493 6.962 342 HA ARG 47 HA ARG 47 -0.009 5.827 8.005 343 HB2 ARG 47 2HB ARG 47 1.126 3.684 7.476 344 HB3 ARG 47 3HB ARG 47 0.833 4.010 5.756 345 HG2 ARG 47 2HG ARG 47 2.116 6.175 7.415 346 HG3 ARG 47 3HG ARG 47 3.085 4.741 7.092 347 HD2 ARG 47 2HD ARG 47 2.970 5.051 4.710 348 HD3 ARG 47 3HD ARG 47 1.715 6.278 4.863 349 HE ARG 47 HE ARG 47 3.219 7.870 5.417 350 HH11 ARG 47 1HH1 ARG 47 6.724 7.777 5.735 351 HH12 ARG 47 2HH1 ARG 47 5.336 8.792 5.622 352 HH21 ARG 47 1HH2 ARG 47 6.473 5.420 5.684 353 HH22 ARG 47 2HH2 ARG 47 4.892 4.751 5.529 354 H LEU 48 H LEU 48 -2.130 4.958 5.276 355 HA LEU 48 HA LEU 48 -1.390 7.478 3.923 356 HB2 LEU 48 2HB LEU 48 -3.270 5.221 3.159 357 HB3 LEU 48 3HB LEU 48 -3.247 6.743 2.321 358 HG LEU 48 HG LEU 48 -1.940 5.049 1.160 359 HD11 LEU 48 1HD1 LEU 48 0.019 6.377 0.676 360 HD12 LEU 48 2HD1 LEU 48 -1.346 7.470 0.960 361 HD13 LEU 48 3HD1 LEU 48 -0.105 7.243 2.213 362 HD21 LEU 48 1HD2 LEU 48 0.088 5.148 3.418 363 HD22 LEU 48 2HD2 LEU 48 -1.110 3.854 3.222 364 HD23 LEU 48 3HD2 LEU 48 0.113 4.134 1.966 365 H ILE 49 H ILE 49 -3.850 6.338 6.188 366 HA ILE 49 HA ILE 49 -5.863 8.189 5.601 367 HB ILE 49 HB ILE 49 -6.556 7.962 7.952 368 HG12 ILE 49 2HG1 ILE 49 -3.980 6.417 8.347 369 HG13 ILE 49 3HG1 ILE 49 -4.346 7.994 9.053 370 HG21 ILE 49 1HG2 ILE 49 -7.005 5.569 7.829 371 HG22 ILE 49 2HG2 ILE 49 -7.056 6.241 6.207 372 HG23 ILE 49 3HG2 ILE 49 -5.632 5.332 6.737 373 HD11 ILE 49 1HD1 ILE 49 -5.784 5.389 9.679 374 HD12 ILE 49 2HD1 ILE 49 -4.703 6.311 10.733 375 HD13 ILE 49 3HD1 ILE 49 -6.276 6.993 10.270 376 H THR 50 H THR 50 -2.800 8.702 7.293 377 HA THR 50 HA THR 50 -3.542 11.481 7.915 378 HB THR 50 HB THR 50 -2.553 9.858 9.555 379 HG1 THR 50 1HG THR 50 -2.449 12.024 9.981 380 HG21 THR 50 1HG2 THR 50 0.057 10.329 8.065 381 HG22 THR 50 2HG2 THR 50 -0.164 9.455 9.589 382 HG23 THR 50 3HG2 THR 50 -0.847 8.796 8.094 383 H ASN 51 H ASN 51 -2.992 10.519 5.049 384 HA ASN 51 HA ASN 51 -1.343 12.787 4.316 385 HB2 ASN 51 2HB ASN 51 0.266 10.816 4.674 386 HB3 ASN 51 3HB ASN 51 -0.543 10.018 3.319 387 HD21 ASN 51 1HD2 ASN 51 1.909 10.165 2.651 388 HD22 ASN 51 2HD2 ASN 51 2.322 11.584 1.713 389 H LYS 52 H LYS 52 -1.273 12.221 1.520 390 HA LYS 52 HA LYS 52 -3.315 10.577 0.532 391 HB2 LYS 52 2HB LYS 52 -4.251 13.218 1.371 392 HB3 LYS 52 3HB LYS 52 -4.522 13.016 -0.342 393 HG2 LYS 52 2HG LYS 52 -5.803 11.070 -0.100 394 HG3 LYS 52 3HG LYS 52 -5.293 10.755 1.552 395 HD2 LYS 52 2HD LYS 52 -6.742 13.289 0.789 396 HD3 LYS 52 3HD LYS 52 -7.602 11.788 1.225 397 HE2 LYS 52 2HE LYS 52 -6.512 11.818 3.441 398 HE3 LYS 52 3HE LYS 52 -5.650 13.297 3.004 399 HZ1 LYS 52 1HZ LYS 52 -8.593 13.004 3.086 400 HZ2 LYS 52 2HZ LYS 52 -7.682 13.853 4.192 401 HZ3 LYS 52 3HZ LYS 52 -7.865 14.309 2.589 402 H LYS 53 H LYS 53 -0.657 10.796 -0.110 403 HA LYS 53 HA LYS 53 -0.780 11.599 -2.901 404 HB2 LYS 53 2HB LYS 53 1.218 12.898 -1.010 405 HB3 LYS 53 3HB LYS 53 1.566 12.629 -2.715 406 HG2 LYS 53 2HG LYS 53 0.698 14.676 -3.031 407 HG3 LYS 53 3HG LYS 53 -0.833 13.815 -3.027 408 HD2 LYS 53 2HD LYS 53 -1.102 15.692 -1.582 409 HD3 LYS 53 3HD LYS 53 -0.945 14.292 -0.503 410 HE2 LYS 53 2HE LYS 53 1.555 14.809 -0.368 411 HE3 LYS 53 3HE LYS 53 1.227 16.291 -1.277 412 HZ1 LYS 53 1HZ LYS 53 -0.271 16.939 0.525 413 HZ2 LYS 53 2HZ LYS 53 0.132 15.575 1.368 414 HZ3 LYS 53 3HZ LYS 53 1.270 16.722 1.066 415 H CYS 54 H CYS 54 0.725 10.431 -4.130 416 HA CYS 54 HA CYS 54 1.563 7.824 -3.057 417 HB2 CYS 54 2HB CYS 54 0.596 8.555 -5.392 418 HB3 CYS 54 3HB CYS 54 2.231 9.098 -5.712 419 HA PRO 55 HA PRO 55 5.505 9.956 -2.110 420 HB2 PRO 55 2HB PRO 55 6.423 8.442 -0.080 421 HB3 PRO 55 3HB PRO 55 4.932 9.407 0.120 422 HG2 PRO 55 2HG PRO 55 5.127 6.458 -0.610 423 HG3 PRO 55 3HG PRO 55 4.159 7.208 0.699 424 HD2 PRO 55 2HD PRO 55 3.136 6.645 -1.803 425 HD3 PRO 55 3HD PRO 55 2.577 8.018 -0.806 426 H ILE 56 H ILE 56 5.663 8.883 -4.462 427 HA ILE 56 HA ILE 56 8.128 7.505 -4.741 428 HB ILE 56 HB ILE 56 7.182 5.483 -3.975 429 HG12 ILE 56 2HG1 ILE 56 6.940 4.001 -5.945 430 HG13 ILE 56 3HG1 ILE 56 6.868 5.399 -7.008 431 HG21 ILE 56 1HG2 ILE 56 4.738 5.845 -5.729 432 HG22 ILE 56 2HG2 ILE 56 5.063 4.518 -4.614 433 HG23 ILE 56 3HG2 ILE 56 4.764 6.128 -3.973 434 HD11 ILE 56 1HD1 ILE 56 9.180 6.041 -6.247 435 HD12 ILE 56 2HD1 ILE 56 9.203 4.590 -5.217 436 HD13 ILE 56 3HD1 ILE 56 9.118 4.430 -6.983 437 H CYS 57 H CYS 57 4.860 7.908 -6.115 438 HA CYS 57 HA CYS 57 5.954 8.824 -8.779 439 HB2 CYS 57 2HB CYS 57 3.585 8.284 -9.469 440 HB3 CYS 57 3HB CYS 57 4.595 6.915 -9.037 441 H ARG 58 H ARG 58 3.073 10.082 -8.723 442 HA ARG 58 HA ARG 58 3.082 11.964 -6.629 443 HB2 ARG 58 2HB ARG 58 4.723 13.318 -7.588 444 HB3 ARG 58 3HB ARG 58 4.205 12.992 -9.249 445 HG2 ARG 58 2HG ARG 58 2.399 14.472 -9.139 446 HG3 ARG 58 3HG ARG 58 2.298 14.411 -7.376 447 HD2 ARG 58 2HD ARG 58 4.723 15.614 -8.725 448 HD3 ARG 58 3HD ARG 58 3.227 16.540 -8.631 449 HE ARG 58 HE ARG 58 5.071 15.984 -6.496 450 HH11 ARG 58 1HH1 ARG 58 3.051 17.573 -4.077 451 HH12 ARG 58 2HH1 ARG 58 4.634 16.986 -4.442 452 HH21 ARG 58 1HH2 ARG 58 1.285 17.292 -5.645 453 HH22 ARG 58 2HH2 ARG 58 1.647 16.587 -7.170 454 H VAL 59 H VAL 59 1.000 11.244 -6.417 455 HA VAL 59 HA VAL 59 -0.960 12.243 -8.339 456 HB VAL 59 HB VAL 59 -0.875 9.359 -7.404 457 HG11 VAL 59 1HG1 VAL 59 -2.775 8.994 -8.945 458 HG12 VAL 59 2HG1 VAL 59 -3.171 10.167 -7.690 459 HG13 VAL 59 3HG1 VAL 59 -2.784 10.729 -9.333 460 HG21 VAL 59 1HG2 VAL 59 0.803 9.529 -9.149 461 HG22 VAL 59 2HG2 VAL 59 -0.613 8.735 -9.828 462 HG23 VAL 59 3HG2 VAL 59 -0.318 10.445 -10.188 463 H ASP 60 H ASP 60 -2.806 12.880 -7.090 464 HA ASP 60 HA ASP 60 -2.553 12.672 -4.189 465 HB2 ASP 60 2HB ASP 60 -4.654 13.885 -6.014 466 HB3 ASP 60 3HB ASP 60 -4.733 13.896 -4.242 467 H ILE 61 H ILE 61 -3.271 10.974 -3.096 468 HA ILE 61 HA ILE 61 -4.388 8.682 -4.394 469 HB ILE 61 HB ILE 61 -3.935 9.362 -1.458 470 HG12 ILE 61 2HG1 ILE 61 -1.844 9.670 -2.468 471 HG13 ILE 61 3HG1 ILE 61 -1.773 8.063 -1.769 472 HG21 ILE 61 1HG2 ILE 61 -5.252 7.229 -1.864 473 HG22 ILE 61 2HG2 ILE 61 -3.816 6.640 -2.710 474 HG23 ILE 61 3HG2 ILE 61 -3.704 7.046 -0.999 475 HD11 ILE 61 1HD1 ILE 61 -0.818 7.873 -3.904 476 HD12 ILE 61 2HD1 ILE 61 -2.441 7.238 -4.159 477 HD13 ILE 61 3HD1 ILE 61 -2.070 8.894 -4.663 478 H GLU 62 H GLU 62 -5.729 11.422 -2.805 479 HA GLU 62 HA GLU 62 -8.083 10.261 -1.701 480 HB2 GLU 62 2HB GLU 62 -7.087 12.599 -1.273 481 HB3 GLU 62 3HB GLU 62 -7.922 13.126 -2.725 482 HG2 GLU 62 2HG GLU 62 -10.089 12.473 -1.788 483 HG3 GLU 62 3HG GLU 62 -9.314 11.680 -0.419 484 H ALA 63 H ALA 63 -9.664 9.226 -2.788 485 HA ALA 63 HA ALA 63 -10.711 10.422 -5.296 486 HB1 ALA 63 1HB ALA 63 -10.742 8.192 -6.344 487 HB2 ALA 63 2HB ALA 63 -9.082 8.672 -5.937 488 HB3 ALA 63 3HB ALA 63 -9.940 7.492 -4.920 489 H GLN 64 H GLN 64 -11.906 10.954 -3.051 490 HA GLN 64 HA GLN 64 -13.714 10.799 -1.711 491 HB2 GLN 64 2HB GLN 64 -14.795 11.092 -3.891 492 HB3 GLN 64 3HB GLN 64 -14.927 9.334 -4.075 493 HG2 GLN 64 2HG GLN 64 -16.335 9.238 -2.012 494 HG3 GLN 64 3HG GLN 64 -16.207 10.995 -1.854 495 HE21 GLN 64 1HE2 GLN 64 -16.907 12.226 -4.031 496 HE22 GLN 64 2HE2 GLN 64 -18.367 11.551 -4.744 497 H LEU 65 H LEU 65 -12.852 9.562 -0.044 498 HA LEU 65 HA LEU 65 -14.165 7.058 0.410 499 HB2 LEU 65 2HB LEU 65 -11.569 6.922 -0.873 500 HB3 LEU 65 3HB LEU 65 -11.438 6.229 0.744 501 HG LEU 65 HG LEU 65 -13.787 5.433 -0.994 502 HD11 LEU 65 1HD1 LEU 65 -11.855 5.162 -2.449 503 HD12 LEU 65 2HD1 LEU 65 -10.976 4.284 -1.175 504 HD13 LEU 65 3HD1 LEU 65 -12.446 3.585 -1.909 505 HD21 LEU 65 1HD2 LEU 65 -13.617 3.375 0.298 506 HD22 LEU 65 2HD2 LEU 65 -12.119 3.943 1.077 507 HD23 LEU 65 3HD2 LEU 65 -13.665 4.757 1.406 508 HA PRO 66 HA PRO 66 -11.756 8.161 4.315 509 HB2 PRO 66 2HB PRO 66 -9.972 10.244 4.391 510 HB3 PRO 66 3HB PRO 66 -9.499 8.577 3.932 511 HG2 PRO 66 2HG PRO 66 -10.197 10.885 2.090 512 HG3 PRO 66 3HG PRO 66 -8.775 9.792 2.007 513 HD2 PRO 66 2HD PRO 66 -10.975 9.377 0.487 514 HD3 PRO 66 3HD PRO 66 -10.080 8.002 1.199 515 H SER 67 H SER 67 -12.585 9.594 5.887 516 HA SER 67 HA SER 67 -13.912 12.067 4.911 517 HB2 SER 67 2HB SER 67 -15.619 10.316 5.102 518 HB3 SER 67 3HB SER 67 -15.105 9.955 6.757 519 HG SER 67 HG SER 67 -16.180 12.417 5.819 520 H GLU 68 H GLU 68 -13.729 10.559 8.224 521 HA GLU 68 HA GLU 68 -11.541 12.426 8.864 522 HB2 GLU 68 2HB GLU 68 -13.779 13.520 9.344 523 HB3 GLU 68 3HB GLU 68 -14.088 12.242 10.529 524 HG2 GLU 68 2HG GLU 68 -12.000 12.892 11.738 525 HG3 GLU 68 3HG GLU 68 -11.699 14.145 10.527 526 H SER 69 H SER 69 -9.999 11.014 9.529 527 HA SER 69 HA SER 69 -10.219 9.381 11.819 528 HB2 SER 69 2HB SER 69 -10.085 8.033 9.085 529 HB3 SER 69 3HB SER 69 -9.364 7.303 10.529 530 HG SER 69 HG SER 69 -12.026 8.183 10.630 Start of MODEL 7 1 H1 MET 1 H1 MET 1 18.459 -34.723 -1.677 2 H2 MET 1 H2 MET 1 18.722 -36.344 -1.803 3 H3 MET 1 H3 MET 1 19.292 -35.513 -0.499 4 HA MET 1 HA MET 1 21.078 -36.018 -1.987 5 HB2 MET 1 2HB MET 1 19.342 -34.505 -3.968 6 HB3 MET 1 3HB MET 1 21.091 -34.725 -4.178 7 HG2 MET 1 2HG MET 1 20.841 -37.156 -4.096 8 HG3 MET 1 3HG MET 1 19.109 -36.997 -3.792 9 HE1 MET 1 1HE MET 1 21.302 -34.887 -6.455 10 HE2 MET 1 2HE MET 1 22.024 -36.513 -6.338 11 HE3 MET 1 3HE MET 1 21.182 -36.012 -7.821 12 H LYS 2 H LYS 2 19.716 -32.715 -2.700 13 HA LYS 2 HA LYS 2 20.973 -31.526 -0.442 14 HB2 LYS 2 2HB LYS 2 22.435 -31.624 -3.024 15 HB3 LYS 2 3HB LYS 2 22.147 -29.966 -2.513 16 HG2 LYS 2 2HG LYS 2 23.465 -30.121 -0.640 17 HG3 LYS 2 3HG LYS 2 23.033 -31.786 -0.334 18 HD2 LYS 2 2HD LYS 2 24.508 -32.276 -2.517 19 HD3 LYS 2 3HD LYS 2 25.211 -30.701 -2.091 20 HE2 LYS 2 2HE LYS 2 26.508 -32.356 -0.914 21 HE3 LYS 2 3HE LYS 2 25.454 -31.592 0.286 22 HZ1 LYS 2 1HZ LYS 2 25.238 -34.267 -0.899 23 HZ2 LYS 2 2HZ LYS 2 25.196 -33.835 0.689 24 HZ3 LYS 2 3HZ LYS 2 23.895 -33.556 -0.285 25 H GLN 3 H GLN 3 20.771 -28.936 -0.971 26 HA GLN 3 HA GLN 3 18.333 -28.394 -2.479 27 HB2 GLN 3 2HB GLN 3 17.495 -27.079 -0.450 28 HB3 GLN 3 3HB GLN 3 17.234 -28.824 -0.435 29 HG2 GLN 3 2HG GLN 3 19.064 -29.183 1.108 30 HG3 GLN 3 3HG GLN 3 19.564 -27.489 1.015 31 HE21 GLN 3 1HE2 GLN 3 19.097 -28.600 3.518 32 HE22 GLN 3 2HE2 GLN 3 17.612 -27.888 4.135 33 H ASP 4 H ASP 4 18.896 -26.668 -3.685 34 HA ASP 4 HA ASP 4 20.433 -24.488 -2.449 35 HB2 ASP 4 2HB ASP 4 21.194 -26.014 -4.970 36 HB3 ASP 4 3HB ASP 4 21.615 -24.313 -4.737 37 H GLY 5 H GLY 5 18.954 -22.907 -2.626 38 HA2 GLY 5 2HA GLY 5 16.914 -23.007 -4.788 39 HA3 GLY 5 3HA GLY 5 16.853 -22.007 -3.317 40 H GLU 6 H GLU 6 16.438 -20.759 -5.767 41 HA GLU 6 HA GLU 6 18.777 -19.023 -5.952 42 HB2 GLU 6 2HB GLU 6 18.163 -21.048 -7.926 43 HB3 GLU 6 3HB GLU 6 17.718 -19.493 -8.625 44 HG2 GLU 6 2HG GLU 6 20.417 -20.063 -7.319 45 HG3 GLU 6 3HG GLU 6 20.097 -20.257 -9.046 46 H GLU 7 H GLU 7 18.072 -16.907 -6.739 47 HA GLU 7 HA GLU 7 15.128 -16.534 -6.725 48 HB2 GLU 7 2HB GLU 7 16.959 -15.786 -4.580 49 HB3 GLU 7 3HB GLU 7 16.261 -14.334 -5.312 50 HG2 GLU 7 2HG GLU 7 14.007 -15.136 -4.967 51 HG3 GLU 7 3HG GLU 7 14.581 -16.730 -4.468 52 H GLY 8 H GLY 8 14.477 -14.899 -8.106 53 HA2 GLY 8 2HA GLY 8 16.496 -14.167 -10.103 54 HA3 GLY 8 3HA GLY 8 14.747 -13.871 -10.186 55 H THR 9 H THR 9 14.989 -11.658 -10.767 56 HA THR 9 HA THR 9 15.934 -9.898 -8.563 57 HB THR 9 HB THR 9 17.771 -10.258 -10.142 58 HG1 THR 9 1HG THR 9 16.560 -7.710 -10.221 59 HG21 THR 9 1HG2 THR 9 16.510 -10.743 -12.194 60 HG22 THR 9 2HG2 THR 9 15.896 -9.074 -12.232 61 HG23 THR 9 3HG2 THR 9 17.633 -9.397 -12.444 62 H GLU 10 H GLU 10 13.223 -10.757 -9.445 63 HA GLU 10 HA GLU 10 12.124 -8.080 -9.863 64 HB2 GLU 10 2HB GLU 10 12.304 -8.975 -12.147 65 HB3 GLU 10 3HB GLU 10 11.526 -10.479 -11.659 66 HG2 GLU 10 2HG GLU 10 9.951 -9.029 -12.843 67 HG3 GLU 10 3HG GLU 10 9.421 -9.263 -11.181 68 H GLU 11 H GLU 11 11.395 -8.218 -7.698 69 HA GLU 11 HA GLU 11 9.020 -9.692 -7.216 70 HB2 GLU 11 2HB GLU 11 11.196 -11.337 -6.823 71 HB3 GLU 11 3HB GLU 11 11.035 -10.679 -5.216 72 HG2 GLU 11 2HG GLU 11 8.760 -11.939 -6.817 73 HG3 GLU 11 3HG GLU 11 9.776 -12.807 -5.670 74 H ASP 12 H ASP 12 8.272 -7.657 -6.630 75 HA ASP 12 HA ASP 12 8.659 -6.918 -3.973 76 HB2 ASP 12 2HB ASP 12 10.819 -5.872 -5.265 77 HB3 ASP 12 3HB ASP 12 9.699 -4.539 -5.440 78 H THR 13 H THR 13 6.508 -7.198 -6.109 79 HA THR 13 HA THR 13 4.905 -4.952 -5.173 80 HB THR 13 HB THR 13 6.274 -4.104 -7.072 81 HG1 THR 13 1HG THR 13 4.221 -3.272 -6.711 82 HG21 THR 13 1HG2 THR 13 5.882 -4.843 -9.354 83 HG22 THR 13 2HG2 THR 13 6.527 -6.176 -8.388 84 HG23 THR 13 3HG2 THR 13 4.794 -6.128 -8.793 85 H GLU 14 H GLU 14 5.074 -8.015 -5.042 86 HA GLU 14 HA GLU 14 2.787 -8.825 -6.717 87 HB2 GLU 14 2HB GLU 14 5.068 -10.071 -6.563 88 HB3 GLU 14 3HB GLU 14 4.556 -10.569 -4.952 89 HG2 GLU 14 2HG GLU 14 3.939 -12.340 -6.420 90 HG3 GLU 14 3HG GLU 14 2.431 -11.501 -6.047 91 H GLU 15 H GLU 15 3.945 -9.167 -3.296 92 HA GLU 15 HA GLU 15 1.269 -8.369 -2.403 93 HB2 GLU 15 2HB GLU 15 1.281 -10.977 -3.103 94 HB3 GLU 15 3HB GLU 15 1.858 -11.162 -1.453 95 HG2 GLU 15 2HG GLU 15 -0.107 -9.650 -0.752 96 HG3 GLU 15 3HG GLU 15 -0.661 -9.735 -2.423 97 H LYS 16 H LYS 16 3.478 -7.031 -1.749 98 HA LYS 16 HA LYS 16 4.274 -8.029 0.961 99 HB2 LYS 16 2HB LYS 16 6.056 -6.585 -1.040 100 HB3 LYS 16 3HB LYS 16 6.508 -7.184 0.569 101 HG2 LYS 16 2HG LYS 16 5.702 -9.492 -0.263 102 HG3 LYS 16 3HG LYS 16 5.697 -8.819 -1.871 103 HD2 LYS 16 2HD LYS 16 8.143 -9.071 -0.052 104 HD3 LYS 16 3HD LYS 16 7.703 -10.147 -1.399 105 HE2 LYS 16 2HE LYS 16 7.718 -8.107 -2.876 106 HE3 LYS 16 3HE LYS 16 8.456 -7.207 -1.523 107 HZ1 LYS 16 1HZ LYS 16 10.169 -7.923 -2.867 108 HZ2 LYS 16 2HZ LYS 16 10.219 -8.998 -1.624 109 HZ3 LYS 16 3HZ LYS 16 9.561 -9.415 -3.099 110 H CYS 17 H CYS 17 3.768 -6.720 2.611 111 HA CYS 17 HA CYS 17 2.537 -4.088 2.247 112 HB2 CYS 17 2HB CYS 17 2.027 -5.800 4.056 113 HB3 CYS 17 3HB CYS 17 3.567 -5.364 4.788 114 H THR 18 H THR 18 3.971 -2.461 1.535 115 HA THR 18 HA THR 18 6.768 -2.585 2.596 116 HB THR 18 HB THR 18 7.402 -0.955 1.022 117 HG1 THR 18 1HG THR 18 5.744 0.434 1.061 118 HG21 THR 18 1HG2 THR 18 5.469 -2.819 -0.419 119 HG22 THR 18 2HG2 THR 18 6.861 -1.973 -1.116 120 HG23 THR 18 3HG2 THR 18 7.117 -3.242 0.097 121 H ILE 19 H ILE 19 4.022 -1.669 3.979 122 HA ILE 19 HA ILE 19 5.012 0.952 4.951 123 HB ILE 19 HB ILE 19 2.341 -0.344 5.402 124 HG12 ILE 19 2HG1 ILE 19 3.456 1.252 3.084 125 HG13 ILE 19 3HG1 ILE 19 2.304 -0.089 3.059 126 HG21 ILE 19 1HG2 ILE 19 1.652 1.780 6.150 127 HG22 ILE 19 2HG2 ILE 19 3.152 1.388 6.998 128 HG23 ILE 19 3HG2 ILE 19 3.193 2.496 5.604 129 HD11 ILE 19 1HD1 ILE 19 0.644 1.506 4.104 130 HD12 ILE 19 2HD1 ILE 19 1.818 2.788 3.705 131 HD13 ILE 19 3HD1 ILE 19 1.115 1.769 2.420 132 H CYS 20 H CYS 20 3.521 -2.147 6.149 133 HA CYS 20 HA CYS 20 4.820 -1.836 8.806 134 HB2 CYS 20 2HB CYS 20 3.572 -3.869 9.312 135 HB3 CYS 20 3HB CYS 20 2.523 -2.569 8.741 136 H LEU 21 H LEU 21 6.151 -2.471 5.964 137 HA LEU 21 HA LEU 21 7.764 -3.804 5.102 138 HB2 LEU 21 2HB LEU 21 8.749 -3.244 7.920 139 HB3 LEU 21 3HB LEU 21 9.762 -3.912 6.645 140 HG LEU 21 HG LEU 21 8.426 -1.613 5.539 141 HD11 LEU 21 1HD1 LEU 21 9.874 -1.035 8.160 142 HD12 LEU 21 2HD1 LEU 21 9.303 0.169 6.982 143 HD13 LEU 21 3HD1 LEU 21 8.132 -0.826 7.862 144 HD21 LEU 21 1HD2 LEU 21 10.600 -2.553 4.820 145 HD22 LEU 21 2HD2 LEU 21 10.728 -0.828 5.208 146 HD23 LEU 21 3HD2 LEU 21 11.330 -2.042 6.358 147 H SER 22 H SER 22 5.895 -5.589 5.276 148 HA SER 22 HA SER 22 7.397 -7.986 5.858 149 HB2 SER 22 2HB SER 22 5.369 -8.892 7.271 150 HB3 SER 22 3HB SER 22 6.669 -7.982 8.047 151 HG SER 22 HG SER 22 5.373 -6.137 7.996 152 H ILE 23 H ILE 23 6.331 -9.912 4.969 153 HA ILE 23 HA ILE 23 4.673 -9.147 2.665 154 HB ILE 23 HB ILE 23 6.043 -11.780 3.400 155 HG12 ILE 23 2HG1 ILE 23 7.445 -10.972 1.333 156 HG13 ILE 23 3HG1 ILE 23 6.874 -9.359 1.772 157 HG21 ILE 23 1HG2 ILE 23 5.663 -12.220 0.922 158 HG22 ILE 23 2HG2 ILE 23 4.201 -12.162 1.885 159 HG23 ILE 23 3HG2 ILE 23 4.608 -10.786 0.898 160 HD11 ILE 23 1HD1 ILE 23 8.406 -11.194 3.657 161 HD12 ILE 23 2HD1 ILE 23 9.173 -10.024 2.562 162 HD13 ILE 23 3HD1 ILE 23 8.121 -9.441 3.845 163 H LEU 24 H LEU 24 2.756 -10.439 2.152 164 HA LEU 24 HA LEU 24 1.163 -10.844 4.604 165 HB2 LEU 24 2HB LEU 24 0.387 -10.450 1.679 166 HB3 LEU 24 3HB LEU 24 -0.725 -10.535 3.055 167 HG LEU 24 HG LEU 24 1.482 -8.445 2.638 168 HD11 LEU 24 1HD1 LEU 24 0.056 -8.095 0.910 169 HD12 LEU 24 2HD1 LEU 24 -1.379 -8.703 1.771 170 HD13 LEU 24 3HD1 LEU 24 -0.709 -7.098 2.152 171 HD21 LEU 24 1HD2 LEU 24 -0.871 -8.413 4.556 172 HD22 LEU 24 2HD2 LEU 24 0.821 -8.748 5.016 173 HD23 LEU 24 3HD2 LEU 24 0.395 -7.178 4.360 174 H GLU 25 H GLU 25 0.552 -12.353 1.455 175 HA GLU 25 HA GLU 25 0.967 -14.348 0.598 176 HB2 GLU 25 2HB GLU 25 1.787 -15.478 3.291 177 HB3 GLU 25 3HB GLU 25 1.957 -16.198 1.685 178 HG2 GLU 25 2HG GLU 25 3.395 -14.129 1.114 179 HG3 GLU 25 3HG GLU 25 3.460 -13.865 2.873 180 H GLU 26 H GLU 26 -1.326 -13.762 0.534 181 HA GLU 26 HA GLU 26 -3.531 -14.176 0.722 182 HB2 GLU 26 2HB GLU 26 -2.549 -16.934 1.542 183 HB3 GLU 26 3HB GLU 26 -4.258 -16.527 1.548 184 HG2 GLU 26 2HG GLU 26 -4.193 -15.913 -0.809 185 HG3 GLU 26 3HG GLU 26 -2.452 -16.232 -0.877 186 H GLY 27 H GLY 27 -5.274 -15.045 2.530 187 HA2 GLY 27 2HA GLY 27 -6.039 -14.910 4.712 188 HA3 GLY 27 3HA GLY 27 -4.408 -14.493 5.262 189 H GLU 28 H GLU 28 -3.693 -12.233 4.187 190 HA GLU 28 HA GLU 28 -5.476 -10.255 5.368 191 HB2 GLU 28 2HB GLU 28 -2.793 -10.203 3.939 192 HB3 GLU 28 3HB GLU 28 -3.541 -8.752 4.575 193 HG2 GLU 28 2HG GLU 28 -3.042 -11.169 6.377 194 HG3 GLU 28 3HG GLU 28 -1.779 -9.984 6.045 195 H ASP 29 H ASP 29 -6.458 -8.542 4.244 196 HA ASP 29 HA ASP 29 -7.179 -9.058 1.452 197 HB2 ASP 29 2HB ASP 29 -7.946 -7.042 3.536 198 HB3 ASP 29 3HB ASP 29 -7.996 -6.500 1.854 199 H VAL 30 H VAL 30 -6.097 -8.355 -0.295 200 HA VAL 30 HA VAL 30 -3.770 -6.588 0.019 201 HB VAL 30 HB VAL 30 -3.588 -6.767 -2.434 202 HG11 VAL 30 1HG1 VAL 30 -2.965 -9.148 -2.485 203 HG12 VAL 30 2HG1 VAL 30 -2.476 -8.392 -0.955 204 HG13 VAL 30 3HG1 VAL 30 -3.901 -9.448 -1.012 205 HG21 VAL 30 1HG2 VAL 30 -5.960 -8.688 -2.315 206 HG22 VAL 30 2HG2 VAL 30 -5.985 -7.068 -3.048 207 HG23 VAL 30 3HG2 VAL 30 -4.947 -8.332 -3.721 208 H ARG 31 H ARG 31 -3.688 -4.410 -0.818 209 HA ARG 31 HA ARG 31 -6.161 -3.419 -2.004 210 HB2 ARG 31 2HB ARG 31 -6.143 -2.980 0.596 211 HB3 ARG 31 3HB ARG 31 -4.883 -1.795 0.231 212 HG2 ARG 31 2HG ARG 31 -6.939 -0.574 0.244 213 HG3 ARG 31 3HG ARG 31 -6.557 -0.794 -1.474 214 HD2 ARG 31 2HD ARG 31 -8.040 -2.912 -1.359 215 HD3 ARG 31 3HD ARG 31 -8.549 -2.350 0.237 216 HE ARG 31 HE ARG 31 -8.948 -0.186 -1.449 217 HH11 ARG 31 1HH1 ARG 31 -12.088 -1.075 -2.806 218 HH12 ARG 31 2HH1 ARG 31 -10.962 0.210 -2.566 219 HH21 ARG 31 1HH2 ARG 31 -11.575 -3.265 -2.016 220 HH22 ARG 31 2HH2 ARG 31 -10.091 -3.516 -1.176 221 H ARG 32 H ARG 32 -5.701 -1.875 -3.585 222 HA ARG 32 HA ARG 32 -2.899 -0.988 -3.702 223 HB2 ARG 32 2HB ARG 32 -3.064 -0.910 -6.183 224 HB3 ARG 32 3HB ARG 32 -2.980 -2.525 -5.495 225 HG2 ARG 32 2HG ARG 32 -4.834 -3.155 -6.476 226 HG3 ARG 32 3HG ARG 32 -5.778 -1.835 -5.781 227 HD2 ARG 32 2HD ARG 32 -5.434 -0.419 -7.591 228 HD3 ARG 32 3HD ARG 32 -3.972 -1.272 -8.131 229 HE ARG 32 HE ARG 32 -5.904 -3.191 -8.338 230 HH11 ARG 32 1HH1 ARG 32 -7.015 -2.594 -11.611 231 HH12 ARG 32 2HH1 ARG 32 -6.829 -3.772 -10.368 232 HH21 ARG 32 1HH2 ARG 32 -6.257 -0.364 -11.244 233 HH22 ARG 32 2HH2 ARG 32 -5.545 0.027 -9.718 234 H LEU 33 H LEU 33 -2.586 1.064 -3.842 235 HA LEU 33 HA LEU 33 -4.650 3.008 -3.740 236 HB2 LEU 33 2HB LEU 33 -1.612 3.004 -4.219 237 HB3 LEU 33 3HB LEU 33 -2.549 4.465 -4.022 238 HG LEU 33 HG LEU 33 -3.143 3.791 -1.698 239 HD11 LEU 33 1HD1 LEU 33 -1.303 1.414 -2.219 240 HD12 LEU 33 2HD1 LEU 33 -1.714 2.010 -0.607 241 HD13 LEU 33 3HD1 LEU 33 -2.994 1.385 -1.627 242 HD21 LEU 33 1HD2 LEU 33 -0.919 4.223 -0.760 243 HD22 LEU 33 2HD2 LEU 33 -0.148 3.700 -2.279 244 HD23 LEU 33 3HD2 LEU 33 -1.116 5.178 -2.235 245 HA PRO 34 HA PRO 34 -5.096 3.569 -8.123 246 HB2 PRO 34 2HB PRO 34 -5.487 6.287 -8.346 247 HB3 PRO 34 3HB PRO 34 -6.710 5.149 -7.703 248 HG2 PRO 34 2HG PRO 34 -4.771 6.876 -6.153 249 HG3 PRO 34 3HG PRO 34 -6.527 6.652 -5.865 250 HD2 PRO 34 2HD PRO 34 -4.648 5.280 -4.452 251 HD3 PRO 34 3HD PRO 34 -6.192 4.514 -4.921 252 H CYS 35 H CYS 35 -2.375 4.755 -6.346 253 HA CYS 35 HA CYS 35 -1.001 6.015 -8.680 254 HB2 CYS 35 2HB CYS 35 0.380 6.884 -7.102 255 HB3 CYS 35 3HB CYS 35 -1.162 6.931 -6.276 256 H MET 36 H MET 36 -1.722 3.250 -8.865 257 HA MET 36 HA MET 36 -1.078 1.133 -8.852 258 HB2 MET 36 2HB MET 36 1.188 2.371 -10.474 259 HB3 MET 36 3HB MET 36 0.737 0.657 -10.471 260 HG2 MET 36 2HG MET 36 -1.635 1.436 -11.109 261 HG3 MET 36 3HG MET 36 -0.911 3.017 -11.419 262 HE1 MET 36 1HE MET 36 -0.351 -0.870 -13.856 263 HE2 MET 36 2HE MET 36 -0.118 -0.801 -12.095 264 HE3 MET 36 3HE MET 36 -1.726 -0.495 -12.794 265 H HIS 37 H HIS 37 -0.758 1.092 -6.544 266 HA HIS 37 HA HIS 37 1.825 -0.172 -6.021 267 HB2 HIS 37 1HB HIS 37 0.888 2.397 -4.714 268 HB3 HIS 37 2HB HIS 37 1.591 1.155 -3.687 269 HD2 HIS 37 2HD HIS 37 4.072 0.186 -4.439 270 HE1 HIS 37 1HE HIS 37 5.220 3.693 -6.557 271 HE2 HIS 37 2HE HIS 37 6.055 1.491 -5.546 272 H LEU 38 H LEU 38 1.435 -1.947 -4.558 273 HA LEU 38 HA LEU 38 -1.156 -1.915 -3.189 274 HB2 LEU 38 2HB LEU 38 -1.900 -3.899 -3.967 275 HB3 LEU 38 3HB LEU 38 -0.930 -3.473 -5.373 276 HG LEU 38 HG LEU 38 0.975 -4.833 -4.259 277 HD11 LEU 38 1HD1 LEU 38 -0.643 -6.762 -2.955 278 HD12 LEU 38 2HD1 LEU 38 0.556 -5.711 -2.196 279 HD13 LEU 38 3HD1 LEU 38 -1.152 -5.225 -2.250 280 HD21 LEU 38 1HD2 LEU 38 -0.277 -5.520 -6.245 281 HD22 LEU 38 2HD2 LEU 38 0.053 -6.895 -5.201 282 HD23 LEU 38 3HD2 LEU 38 -1.577 -6.187 -5.216 283 H PHE 39 H PHE 39 -1.067 -2.732 -1.187 284 HA PHE 39 HA PHE 39 1.594 -3.629 -0.197 285 HB2 PHE 39 2HB PHE 39 -0.057 -1.437 1.136 286 HB3 PHE 39 3HB PHE 39 1.481 -2.081 1.687 287 HD1 PHE 39 1HD PHE 39 0.197 0.778 0.469 288 HD2 PHE 39 2HD PHE 39 3.203 -2.096 -0.673 289 HE1 PHE 39 1HE PHE 39 1.411 2.536 -0.791 290 HE2 PHE 39 2HE PHE 39 4.377 -0.361 -1.955 291 HZ PHE 39 HZ PHE 39 3.510 1.974 -2.006 292 H HIS 40 H HIS 40 -1.498 -2.754 1.399 293 HA HIS 40 HA HIS 40 -2.428 -5.408 2.043 294 HB2 HIS 40 1HB HIS 40 -0.224 -5.362 3.282 295 HB3 HIS 40 2HB HIS 40 -0.635 -3.815 3.877 296 HD2 HIS 40 2HD HIS 40 -3.381 -6.447 4.223 297 HE1 HIS 40 1HE HIS 40 -1.541 -6.050 8.035 298 HE2 HIS 40 2HE HIS 40 -3.495 -7.028 6.785 299 H GLN 41 H GLN 41 -4.562 -4.968 2.994 300 HA GLN 41 HA GLN 41 -5.543 -2.377 2.778 301 HB2 GLN 41 2HB GLN 41 -6.749 -4.730 3.090 302 HB3 GLN 41 3HB GLN 41 -6.808 -4.230 4.790 303 HG2 GLN 41 2HG GLN 41 -7.788 -2.000 3.948 304 HG3 GLN 41 3HG GLN 41 -7.863 -2.742 2.347 305 HE21 GLN 41 1HE2 GLN 41 -9.067 -3.105 5.734 306 HE22 GLN 41 2HE2 GLN 41 -10.520 -3.959 5.235 307 H VAL 42 H VAL 42 -4.388 -4.022 5.772 308 HA VAL 42 HA VAL 42 -4.934 -1.719 7.402 309 HB VAL 42 HB VAL 42 -3.010 -3.982 7.987 310 HG11 VAL 42 1HG1 VAL 42 -4.574 -2.137 9.832 311 HG12 VAL 42 2HG1 VAL 42 -3.598 -3.530 10.355 312 HG13 VAL 42 3HG1 VAL 42 -2.814 -2.146 9.599 313 HG21 VAL 42 1HG2 VAL 42 -6.030 -3.805 8.340 314 HG22 VAL 42 2HG2 VAL 42 -5.121 -5.046 7.446 315 HG23 VAL 42 3HG2 VAL 42 -5.023 -4.983 9.203 316 H CYS 43 H CYS 43 -2.155 -2.439 5.264 317 HA CYS 43 HA CYS 43 -0.152 -0.732 6.640 318 HB2 CYS 43 2HB CYS 43 -0.601 -1.793 3.820 319 HB3 CYS 43 3HB CYS 43 0.556 -0.600 4.171 320 H VAL 44 H VAL 44 -2.316 -0.435 3.808 321 HA VAL 44 HA VAL 44 -1.463 2.205 3.450 322 HB VAL 44 HB VAL 44 -2.380 0.922 1.600 323 HG11 VAL 44 1HG1 VAL 44 -5.156 1.182 2.837 324 HG12 VAL 44 2HG1 VAL 44 -4.758 0.509 1.251 325 HG13 VAL 44 3HG1 VAL 44 -4.210 -0.315 2.710 326 HG21 VAL 44 1HG2 VAL 44 -2.470 3.380 1.433 327 HG22 VAL 44 2HG2 VAL 44 -3.820 2.631 0.556 328 HG23 VAL 44 3HG2 VAL 44 -4.104 3.381 2.131 329 H ASP 45 H ASP 45 -4.399 0.834 5.055 330 HA ASP 45 HA ASP 45 -5.408 3.447 5.828 331 HB2 ASP 45 2HB ASP 45 -6.781 1.374 5.278 332 HB3 ASP 45 3HB ASP 45 -6.226 0.673 6.804 333 H GLN 46 H GLN 46 -2.705 2.970 6.700 334 HA GLN 46 HA GLN 46 -3.158 3.707 9.495 335 HB2 GLN 46 2HB GLN 46 -2.580 1.276 9.434 336 HB3 GLN 46 3HB GLN 46 -1.031 1.651 8.680 337 HG2 GLN 46 2HG GLN 46 -1.825 2.939 11.315 338 HG3 GLN 46 3HG GLN 46 -1.294 1.259 11.286 339 HE21 GLN 46 1HE2 GLN 46 0.906 0.724 10.724 340 HE22 GLN 46 2HE2 GLN 46 2.122 1.994 10.748 341 H ARG 47 H ARG 47 -0.510 3.245 7.002 342 HA ARG 47 HA ARG 47 0.673 5.723 7.948 343 HB2 ARG 47 2HB ARG 47 1.990 3.909 7.044 344 HB3 ARG 47 3HB ARG 47 1.298 4.173 5.426 345 HG2 ARG 47 2HG ARG 47 2.327 6.425 5.360 346 HG3 ARG 47 3HG ARG 47 2.889 6.225 7.037 347 HD2 ARG 47 2HD ARG 47 4.137 4.172 6.260 348 HD3 ARG 47 3HD ARG 47 3.752 4.621 4.589 349 HE ARG 47 HE ARG 47 5.773 5.624 6.373 350 HH11 ARG 47 1HH1 ARG 47 6.765 8.398 4.474 351 HH12 ARG 47 2HH1 ARG 47 7.157 7.360 5.793 352 HH21 ARG 47 1HH2 ARG 47 4.748 8.030 3.252 353 HH22 ARG 47 2HH2 ARG 47 3.729 6.712 3.717 354 H LEU 48 H LEU 48 -1.766 5.078 5.456 355 HA LEU 48 HA LEU 48 -1.371 7.843 4.408 356 HB2 LEU 48 2HB LEU 48 -2.975 5.511 3.294 357 HB3 LEU 48 3HB LEU 48 -2.971 7.107 2.631 358 HG LEU 48 HG LEU 48 -1.564 5.714 1.320 359 HD11 LEU 48 1HD1 LEU 48 -0.873 8.086 1.615 360 HD12 LEU 48 2HD1 LEU 48 0.237 7.585 2.910 361 HD13 LEU 48 3HD1 LEU 48 0.485 7.005 1.252 362 HD21 LEU 48 1HD2 LEU 48 -0.921 4.207 3.346 363 HD22 LEU 48 2HD2 LEU 48 0.231 4.421 2.014 364 HD23 LEU 48 3HD2 LEU 48 0.443 5.317 3.531 365 H ILE 49 H ILE 49 -2.933 6.777 7.084 366 HA ILE 49 HA ILE 49 -5.548 7.834 6.460 367 HB ILE 49 HB ILE 49 -5.960 7.791 8.820 368 HG12 ILE 49 2HG1 ILE 49 -3.585 6.437 9.777 369 HG13 ILE 49 3HG1 ILE 49 -3.153 8.062 9.240 370 HG21 ILE 49 1HG2 ILE 49 -4.472 5.326 7.852 371 HG22 ILE 49 2HG2 ILE 49 -5.705 5.367 9.121 372 HG23 ILE 49 3HG2 ILE 49 -6.146 5.747 7.452 373 HD11 ILE 49 1HD1 ILE 49 -3.780 8.028 11.618 374 HD12 ILE 49 2HD1 ILE 49 -4.993 8.955 10.704 375 HD13 ILE 49 3HD1 ILE 49 -5.344 7.288 11.220 376 H THR 50 H THR 50 -2.445 9.262 7.403 377 HA THR 50 HA THR 50 -3.648 11.906 7.851 378 HB THR 50 HB THR 50 -1.169 12.259 8.607 379 HG1 THR 50 1HG THR 50 -0.107 10.303 9.016 380 HG21 THR 50 1HG2 THR 50 -1.573 11.090 10.758 381 HG22 THR 50 2HG2 THR 50 -3.002 11.990 10.215 382 HG23 THR 50 3HG2 THR 50 -2.941 10.227 10.030 383 H ASN 51 H ASN 51 -2.947 10.504 4.994 384 HA ASN 51 HA ASN 51 -2.008 13.003 3.824 385 HB2 ASN 51 2HB ASN 51 0.049 11.518 4.644 386 HB3 ASN 51 3HB ASN 51 -0.330 10.547 3.220 387 HD21 ASN 51 1HD2 ASN 51 1.991 12.484 4.001 388 HD22 ASN 51 2HD2 ASN 51 2.068 13.542 2.601 389 H LYS 52 H LYS 52 -2.012 12.613 1.248 390 HA LYS 52 HA LYS 52 -3.034 10.059 0.419 391 HB2 LYS 52 2HB LYS 52 -4.873 12.479 0.275 392 HB3 LYS 52 3HB LYS 52 -4.906 11.263 -0.990 393 HG2 LYS 52 2HG LYS 52 -6.365 10.115 0.223 394 HG3 LYS 52 3HG LYS 52 -5.024 9.635 1.215 395 HD2 LYS 52 2HD LYS 52 -5.564 11.898 2.524 396 HD3 LYS 52 3HD LYS 52 -7.120 11.762 1.694 397 HE2 LYS 52 2HE LYS 52 -7.320 9.405 2.542 398 HE3 LYS 52 3HE LYS 52 -5.810 9.623 3.449 399 HZ1 LYS 52 1HZ LYS 52 -6.863 11.256 4.787 400 HZ2 LYS 52 2HZ LYS 52 -8.223 11.277 3.840 401 HZ3 LYS 52 3HZ LYS 52 -7.867 9.963 4.760 402 H LYS 53 H LYS 53 -0.647 10.609 -0.211 403 HA LYS 53 HA LYS 53 -0.844 11.101 -3.022 404 HB2 LYS 53 2HB LYS 53 0.671 13.117 -1.362 405 HB3 LYS 53 3HB LYS 53 1.357 12.569 -2.901 406 HG2 LYS 53 2HG LYS 53 -1.021 13.001 -3.869 407 HG3 LYS 53 3HG LYS 53 -1.267 14.026 -2.459 408 HD2 LYS 53 2HD LYS 53 0.033 15.685 -3.367 409 HD3 LYS 53 3HD LYS 53 1.268 14.536 -3.941 410 HE2 LYS 53 2HE LYS 53 -0.311 13.767 -5.717 411 HE3 LYS 53 3HE LYS 53 -1.460 15.016 -5.238 412 HZ1 LYS 53 1HZ LYS 53 0.006 15.511 -7.140 413 HZ2 LYS 53 2HZ LYS 53 0.085 16.668 -5.947 414 HZ3 LYS 53 3HZ LYS 53 1.290 15.539 -6.153 415 H CYS 54 H CYS 54 0.789 10.096 -4.196 416 HA CYS 54 HA CYS 54 2.491 8.047 -2.808 417 HB2 CYS 54 2HB CYS 54 1.205 8.296 -5.366 418 HB3 CYS 54 3HB CYS 54 2.939 8.407 -5.632 419 HA PRO 55 HA PRO 55 5.549 11.356 -2.749 420 HB2 PRO 55 2HB PRO 55 7.713 10.039 -1.717 421 HB3 PRO 55 3HB PRO 55 6.254 10.405 -0.747 422 HG2 PRO 55 2HG PRO 55 6.908 7.824 -2.210 423 HG3 PRO 55 3HG PRO 55 6.418 8.022 -0.495 424 HD2 PRO 55 2HD PRO 55 4.610 7.392 -2.425 425 HD3 PRO 55 3HD PRO 55 4.179 8.528 -1.105 426 H ILE 56 H ILE 56 5.541 8.859 -4.962 427 HA ILE 56 HA ILE 56 7.771 10.119 -6.458 428 HB ILE 56 HB ILE 56 8.021 7.698 -7.468 429 HG12 ILE 56 2HG1 ILE 56 7.593 6.773 -4.635 430 HG13 ILE 56 3HG1 ILE 56 6.163 6.885 -5.652 431 HG21 ILE 56 1HG2 ILE 56 9.893 7.309 -5.887 432 HG22 ILE 56 2HG2 ILE 56 9.801 8.996 -6.414 433 HG23 ILE 56 3HG2 ILE 56 9.221 8.546 -4.800 434 HD11 ILE 56 1HD1 ILE 56 7.109 5.412 -7.319 435 HD12 ILE 56 2HD1 ILE 56 8.654 5.337 -6.440 436 HD13 ILE 56 3HD1 ILE 56 7.188 4.639 -5.722 437 H CYS 57 H CYS 57 4.970 7.881 -6.759 438 HA CYS 57 HA CYS 57 4.378 8.350 -9.507 439 HB2 CYS 57 2HB CYS 57 2.116 7.971 -7.658 440 HB3 CYS 57 3HB CYS 57 2.532 7.096 -9.118 441 H ARG 58 H ARG 58 3.735 10.295 -6.615 442 HA ARG 58 HA ARG 58 3.113 12.397 -6.345 443 HB2 ARG 58 2HB ARG 58 4.669 12.441 -8.484 444 HB3 ARG 58 3HB ARG 58 3.190 12.941 -9.317 445 HG2 ARG 58 2HG ARG 58 2.991 14.854 -7.702 446 HG3 ARG 58 3HG ARG 58 4.447 14.261 -6.873 447 HD2 ARG 58 2HD ARG 58 5.441 14.377 -9.374 448 HD3 ARG 58 3HD ARG 58 4.159 15.591 -9.555 449 HE ARG 58 HE ARG 58 5.762 15.947 -7.162 450 HH11 ARG 58 1HH1 ARG 58 7.868 18.420 -8.512 451 HH12 ARG 58 2HH1 ARG 58 7.366 17.615 -7.073 452 HH21 ARG 58 1HH2 ARG 58 6.918 17.799 -10.604 453 HH22 ARG 58 2HH2 ARG 58 5.738 16.538 -10.638 454 H VAL 59 H VAL 59 1.097 10.247 -7.581 455 HA VAL 59 HA VAL 59 -1.171 11.921 -8.343 456 HB VAL 59 HB VAL 59 -0.493 8.976 -8.139 457 HG11 VAL 59 1HG1 VAL 59 -3.325 10.054 -8.447 458 HG12 VAL 59 2HG1 VAL 59 -2.812 8.411 -8.891 459 HG13 VAL 59 3HG1 VAL 59 -2.710 8.929 -7.212 460 HG21 VAL 59 1HG2 VAL 59 -1.139 9.027 -10.508 461 HG22 VAL 59 2HG2 VAL 59 -1.672 10.712 -10.349 462 HG23 VAL 59 3HG2 VAL 59 0.049 10.301 -10.178 463 H ASP 60 H ASP 60 -3.057 12.057 -7.133 464 HA ASP 60 HA ASP 60 -2.862 12.018 -4.243 465 HB2 ASP 60 2HB ASP 60 -5.218 12.751 -4.359 466 HB3 ASP 60 3HB ASP 60 -4.096 13.807 -5.210 467 H ILE 61 H ILE 61 -3.364 10.335 -2.980 468 HA ILE 61 HA ILE 61 -4.065 7.799 -4.185 469 HB ILE 61 HB ILE 61 -3.629 8.649 -1.295 470 HG12 ILE 61 2HG1 ILE 61 -1.644 9.212 -2.368 471 HG13 ILE 61 3HG1 ILE 61 -1.315 7.658 -1.627 472 HG21 ILE 61 1HG2 ILE 61 -2.969 6.316 -0.915 473 HG22 ILE 61 2HG2 ILE 61 -4.673 6.495 -1.352 474 HG23 ILE 61 3HG2 ILE 61 -3.517 5.900 -2.565 475 HD11 ILE 61 1HD1 ILE 61 -0.396 7.609 -3.813 476 HD12 ILE 61 2HD1 ILE 61 -1.891 6.657 -3.930 477 HD13 ILE 61 3HD1 ILE 61 -1.848 8.325 -4.537 478 H GLU 62 H GLU 62 -5.773 10.416 -2.804 479 HA GLU 62 HA GLU 62 -7.943 9.020 -1.559 480 HB2 GLU 62 2HB GLU 62 -7.333 11.467 -1.237 481 HB3 GLU 62 3HB GLU 62 -8.001 11.801 -2.824 482 HG2 GLU 62 2HG GLU 62 -10.214 11.096 -2.123 483 HG3 GLU 62 3HG GLU 62 -9.572 10.360 -0.647 484 H ALA 63 H ALA 63 -10.121 8.707 -2.426 485 HA ALA 63 HA ALA 63 -10.335 8.702 -5.377 486 HB1 ALA 63 1HB ALA 63 -10.775 6.250 -3.609 487 HB2 ALA 63 2HB ALA 63 -11.138 6.367 -5.346 488 HB3 ALA 63 3HB ALA 63 -9.456 6.467 -4.784 489 H GLN 64 H GLN 64 -11.390 10.614 -4.167 490 HA GLN 64 HA GLN 64 -13.129 11.736 -3.319 491 HB2 GLN 64 2HB GLN 64 -14.394 9.700 -4.990 492 HB3 GLN 64 3HB GLN 64 -15.403 10.020 -3.597 493 HG2 GLN 64 2HG GLN 64 -16.003 11.498 -5.425 494 HG3 GLN 64 3HG GLN 64 -15.329 12.448 -4.094 495 HE21 GLN 64 1HE2 GLN 64 -14.851 14.204 -5.663 496 HE22 GLN 64 2HE2 GLN 64 -13.457 13.998 -6.715 497 H LEU 65 H LEU 65 -15.219 11.213 -1.769 498 HA LEU 65 HA LEU 65 -15.695 11.073 0.439 499 HB2 LEU 65 2HB LEU 65 -15.774 8.521 -0.917 500 HB3 LEU 65 3HB LEU 65 -15.501 8.281 0.803 501 HG LEU 65 HG LEU 65 -17.423 9.785 1.321 502 HD11 LEU 65 1HD1 LEU 65 -19.042 10.323 -0.459 503 HD12 LEU 65 2HD1 LEU 65 -17.497 11.105 -0.800 504 HD13 LEU 65 3HD1 LEU 65 -17.957 9.633 -1.684 505 HD21 LEU 65 1HD2 LEU 65 -17.682 7.330 1.233 506 HD22 LEU 65 2HD2 LEU 65 -19.158 8.149 0.695 507 HD23 LEU 65 3HD2 LEU 65 -18.059 7.423 -0.501 508 HA PRO 66 HA PRO 66 -11.537 10.973 2.248 509 HB2 PRO 66 2HB PRO 66 -11.684 13.269 3.727 510 HB3 PRO 66 3HB PRO 66 -11.402 13.276 1.955 511 HG2 PRO 66 2HG PRO 66 -14.040 13.630 3.414 512 HG3 PRO 66 3HG PRO 66 -13.346 14.664 2.122 513 HD2 PRO 66 2HD PRO 66 -15.164 12.718 1.589 514 HD3 PRO 66 3HD PRO 66 -13.810 13.044 0.456 515 H SER 67 H SER 67 -10.813 10.515 4.407 516 HA SER 67 HA SER 67 -12.810 9.198 6.050 517 HB2 SER 67 2HB SER 67 -10.683 8.428 7.181 518 HB3 SER 67 3HB SER 67 -10.734 8.078 5.441 519 HG SER 67 HG SER 67 -9.418 10.177 6.780 520 H GLU 68 H GLU 68 -13.879 11.344 6.712 521 HA GLU 68 HA GLU 68 -12.323 12.896 8.692 522 HB2 GLU 68 2HB GLU 68 -15.224 12.971 7.800 523 HB3 GLU 68 3HB GLU 68 -14.641 13.839 9.236 524 HG2 GLU 68 2HG GLU 68 -12.883 14.938 7.842 525 HG3 GLU 68 3HG GLU 68 -13.571 14.173 6.405 526 H SER 69 H SER 69 -11.581 10.961 9.838 527 HA SER 69 HA SER 69 -13.247 10.527 12.194 528 HB2 SER 69 2HB SER 69 -12.941 8.011 11.941 529 HB3 SER 69 3HB SER 69 -14.119 8.727 10.815 530 HG SER 69 HG SER 69 -11.397 8.485 10.142 Start of MODEL 8 1 H1 MET 1 H1 MET 1 6.062 -40.117 0.894 2 H2 MET 1 H2 MET 1 4.548 -39.780 1.484 3 H3 MET 1 H3 MET 1 5.381 -38.674 0.572 4 HA MET 1 HA MET 1 5.483 -38.023 2.865 5 HB2 MET 1 2HB MET 1 6.764 -40.774 3.143 6 HB3 MET 1 3HB MET 1 6.888 -39.507 4.374 7 HG2 MET 1 2HG MET 1 4.513 -39.485 4.734 8 HG3 MET 1 3HG MET 1 4.226 -40.558 3.358 9 HE1 MET 1 1HE MET 1 3.075 -41.061 6.438 10 HE2 MET 1 2HE MET 1 2.657 -41.868 4.906 11 HE3 MET 1 3HE MET 1 3.170 -42.833 6.308 12 H LYS 2 H LYS 2 7.699 -37.324 3.842 13 HA LYS 2 HA LYS 2 9.552 -36.130 3.495 14 HB2 LYS 2 2HB LYS 2 10.211 -38.670 2.227 15 HB3 LYS 2 3HB LYS 2 10.955 -37.332 1.354 16 HG2 LYS 2 2HG LYS 2 11.767 -36.435 3.599 17 HG3 LYS 2 3HG LYS 2 11.250 -37.987 4.302 18 HD2 LYS 2 2HD LYS 2 12.732 -39.172 2.671 19 HD3 LYS 2 3HD LYS 2 13.224 -37.596 2.004 20 HE2 LYS 2 2HE LYS 2 14.026 -36.934 4.293 21 HE3 LYS 2 3HE LYS 2 13.660 -38.574 4.860 22 HZ1 LYS 2 1HZ LYS 2 15.969 -38.350 4.258 23 HZ2 LYS 2 2HZ LYS 2 15.242 -39.398 3.216 24 HZ3 LYS 2 3HZ LYS 2 15.586 -37.860 2.737 25 H GLN 3 H GLN 3 8.640 -34.216 2.815 26 HA GLN 3 HA GLN 3 9.378 -33.554 0.130 27 HB2 GLN 3 2HB GLN 3 7.007 -34.356 -0.124 28 HB3 GLN 3 3HB GLN 3 6.473 -33.105 0.997 29 HG2 GLN 3 2HG GLN 3 8.117 -32.311 -1.419 30 HG3 GLN 3 3HG GLN 3 6.444 -32.803 -1.670 31 HE21 GLN 3 1HE2 GLN 3 5.074 -30.974 -1.824 32 HE22 GLN 3 2HE2 GLN 3 5.389 -29.529 -0.846 33 H ASP 4 H ASP 4 10.567 -31.800 0.521 34 HA ASP 4 HA ASP 4 9.766 -29.700 2.388 35 HB2 ASP 4 2HB ASP 4 12.037 -29.834 3.444 36 HB3 ASP 4 3HB ASP 4 10.975 -31.168 3.863 37 H GLY 5 H GLY 5 9.634 -28.195 0.608 38 HA2 GLY 5 2HA GLY 5 12.036 -27.331 -0.640 39 HA3 GLY 5 3HA GLY 5 11.270 -28.557 -1.665 40 H GLU 6 H GLU 6 11.013 -25.308 -0.331 41 HA GLU 6 HA GLU 6 8.867 -24.676 -2.246 42 HB2 GLU 6 2HB GLU 6 9.005 -24.099 0.744 43 HB3 GLU 6 3HB GLU 6 8.243 -22.964 -0.360 44 HG2 GLU 6 2HG GLU 6 6.497 -24.283 0.486 45 HG3 GLU 6 3HG GLU 6 6.728 -24.736 -1.196 46 H GLU 7 H GLU 7 9.051 -22.485 -2.955 47 HA GLU 7 HA GLU 7 11.477 -20.983 -2.289 48 HB2 GLU 7 2HB GLU 7 10.693 -21.948 -5.077 49 HB3 GLU 7 3HB GLU 7 11.699 -20.515 -4.819 50 HG2 GLU 7 2HG GLU 7 13.339 -21.867 -3.554 51 HG3 GLU 7 3HG GLU 7 12.384 -23.325 -3.867 52 H GLY 8 H GLY 8 11.132 -18.743 -3.564 53 HA2 GLY 8 2HA GLY 8 8.379 -17.863 -2.958 54 HA3 GLY 8 3HA GLY 8 9.777 -16.849 -3.328 55 H THR 9 H THR 9 8.990 -15.698 -5.154 56 HA THR 9 HA THR 9 8.437 -17.272 -7.565 57 HB THR 9 HB THR 9 6.324 -17.336 -6.394 58 HG1 THR 9 1HG THR 9 5.071 -16.510 -8.021 59 HG21 THR 9 1HG2 THR 9 4.996 -15.297 -5.975 60 HG22 THR 9 2HG2 THR 9 6.468 -15.346 -4.991 61 HG23 THR 9 3HG2 THR 9 6.391 -14.295 -6.412 62 H GLU 10 H GLU 10 7.065 -14.654 -8.507 63 HA GLU 10 HA GLU 10 9.232 -13.563 -9.861 64 HB2 GLU 10 2HB GLU 10 6.693 -13.424 -10.253 65 HB3 GLU 10 3HB GLU 10 6.699 -12.031 -9.164 66 HG2 GLU 10 2HG GLU 10 8.265 -10.847 -10.651 67 HG3 GLU 10 3HG GLU 10 8.447 -12.290 -11.658 68 H GLU 11 H GLU 11 8.045 -12.818 -6.638 69 HA GLU 11 HA GLU 11 8.598 -11.407 -5.050 70 HB2 GLU 11 2HB GLU 11 11.104 -12.427 -6.202 71 HB3 GLU 11 3HB GLU 11 11.352 -10.891 -5.392 72 HG2 GLU 11 2HG GLU 11 11.644 -12.590 -3.755 73 HG3 GLU 11 3HG GLU 11 10.117 -11.785 -3.390 74 H ASP 12 H ASP 12 10.167 -9.376 -4.608 75 HA ASP 12 HA ASP 12 10.266 -7.147 -4.603 76 HB2 ASP 12 2HB ASP 12 11.849 -7.645 -6.402 77 HB3 ASP 12 3HB ASP 12 10.574 -7.347 -7.599 78 H THR 13 H THR 13 8.508 -6.221 -3.848 79 HA THR 13 HA THR 13 6.499 -5.210 -3.720 80 HB THR 13 HB THR 13 6.863 -4.618 -6.681 81 HG1 THR 13 1HG THR 13 8.790 -4.172 -5.578 82 HG21 THR 13 1HG2 THR 13 5.622 -3.048 -4.378 83 HG22 THR 13 2HG2 THR 13 5.924 -2.417 -6.012 84 HG23 THR 13 3HG2 THR 13 4.754 -3.720 -5.782 85 H GLU 14 H GLU 14 6.716 -8.166 -4.896 86 HA GLU 14 HA GLU 14 4.316 -8.674 -6.239 87 HB2 GLU 14 2HB GLU 14 6.527 -10.108 -5.476 88 HB3 GLU 14 3HB GLU 14 5.343 -10.790 -4.380 89 HG2 GLU 14 2HG GLU 14 5.058 -10.570 -7.416 90 HG3 GLU 14 3HG GLU 14 5.605 -12.007 -6.556 91 H GLU 15 H GLU 15 4.953 -9.207 -2.691 92 HA GLU 15 HA GLU 15 2.156 -8.350 -2.186 93 HB2 GLU 15 2HB GLU 15 2.508 -11.004 -2.736 94 HB3 GLU 15 3HB GLU 15 2.866 -11.040 -1.027 95 HG2 GLU 15 2HG GLU 15 0.517 -9.514 -1.136 96 HG3 GLU 15 3HG GLU 15 0.304 -10.573 -2.501 97 H LYS 16 H LYS 16 4.364 -6.950 -1.440 98 HA LYS 16 HA LYS 16 4.959 -7.764 1.371 99 HB2 LYS 16 2HB LYS 16 6.688 -6.087 -0.484 100 HB3 LYS 16 3HB LYS 16 7.079 -6.622 1.163 101 HG2 LYS 16 2HG LYS 16 6.661 -9.014 0.285 102 HG3 LYS 16 3HG LYS 16 6.709 -8.350 -1.316 103 HD2 LYS 16 2HD LYS 16 8.955 -8.240 0.755 104 HD3 LYS 16 3HD LYS 16 8.841 -9.388 -0.594 105 HE2 LYS 16 2HE LYS 16 8.863 -7.491 -2.181 106 HE3 LYS 16 3HE LYS 16 9.007 -6.373 -0.807 107 HZ1 LYS 16 1HZ LYS 16 11.160 -6.847 -1.810 108 HZ2 LYS 16 2HZ LYS 16 11.116 -7.421 -0.270 109 HZ3 LYS 16 3HZ LYS 16 10.977 -8.459 -1.535 110 H CYS 17 H CYS 17 4.077 -6.582 2.936 111 HA CYS 17 HA CYS 17 2.664 -4.019 2.461 112 HB2 CYS 17 2HB CYS 17 1.947 -5.932 3.981 113 HB3 CYS 17 3HB CYS 17 3.301 -5.511 5.019 114 H THR 18 H THR 18 4.134 -2.354 1.983 115 HA THR 18 HA THR 18 6.678 -2.252 3.486 116 HB THR 18 HB THR 18 7.065 -0.185 2.200 117 HG1 THR 18 1HG THR 18 5.414 0.241 0.560 118 HG21 THR 18 1HG2 THR 18 6.068 -2.493 0.462 119 HG22 THR 18 2HG2 THR 18 7.155 -1.185 -0.052 120 HG23 THR 18 3HG2 THR 18 7.680 -2.345 1.181 121 H ILE 19 H ILE 19 3.647 -1.837 4.503 122 HA ILE 19 HA ILE 19 3.947 0.790 5.774 123 HB ILE 19 HB ILE 19 1.628 -1.136 5.767 124 HG12 ILE 19 2HG1 ILE 19 2.505 1.053 3.895 125 HG13 ILE 19 3HG1 ILE 19 1.824 -0.566 3.563 126 HG21 ILE 19 1HG2 ILE 19 0.628 1.235 6.546 127 HG22 ILE 19 2HG2 ILE 19 1.438 0.180 7.705 128 HG23 ILE 19 3HG2 ILE 19 2.318 1.509 7.017 129 HD11 ILE 19 1HD1 ILE 19 0.338 1.834 4.500 130 HD12 ILE 19 2HD1 ILE 19 0.290 1.038 2.909 131 HD13 ILE 19 3HD1 ILE 19 -0.320 0.165 4.333 132 H CYS 20 H CYS 20 2.966 -2.571 6.712 133 HA CYS 20 HA CYS 20 3.939 -2.240 9.516 134 HB2 CYS 20 2HB CYS 20 3.036 -4.500 9.739 135 HB3 CYS 20 3HB CYS 20 1.825 -3.332 9.217 136 H LEU 21 H LEU 21 5.606 -2.413 6.771 137 HA LEU 21 HA LEU 21 7.575 -3.273 6.094 138 HB2 LEU 21 2HB LEU 21 7.990 -2.930 9.082 139 HB3 LEU 21 3HB LEU 21 9.314 -3.186 7.948 140 HG LEU 21 HG LEU 21 7.350 -0.890 7.581 141 HD11 LEU 21 1HD1 LEU 21 9.958 -0.889 9.155 142 HD12 LEU 21 2HD1 LEU 21 9.013 0.552 8.708 143 HD13 LEU 21 3HD1 LEU 21 8.323 -0.648 9.812 144 HD21 LEU 21 1HD2 LEU 21 10.228 -1.329 6.663 145 HD22 LEU 21 2HD2 LEU 21 8.785 -1.486 5.637 146 HD23 LEU 21 3HD2 LEU 21 9.218 0.090 6.312 147 H SER 22 H SER 22 5.843 -5.332 6.026 148 HA SER 22 HA SER 22 7.630 -7.569 6.497 149 HB2 SER 22 2HB SER 22 5.725 -8.847 7.704 150 HB3 SER 22 3HB SER 22 6.713 -7.722 8.644 151 HG SER 22 HG SER 22 5.091 -6.209 8.533 152 H ILE 23 H ILE 23 6.639 -9.618 5.540 153 HA ILE 23 HA ILE 23 5.173 -8.858 3.099 154 HB ILE 23 HB ILE 23 6.732 -11.381 3.825 155 HG12 ILE 23 2HG1 ILE 23 8.229 -10.322 1.971 156 HG13 ILE 23 3HG1 ILE 23 7.448 -8.794 2.398 157 HG21 ILE 23 1HG2 ILE 23 5.038 -11.750 2.107 158 HG22 ILE 23 2HG2 ILE 23 5.463 -10.322 1.252 159 HG23 ILE 23 3HG2 ILE 23 6.599 -11.705 1.321 160 HD11 ILE 23 1HD1 ILE 23 9.032 -10.515 4.340 161 HD12 ILE 23 2HD1 ILE 23 9.716 -9.203 3.346 162 HD13 ILE 23 3HD1 ILE 23 8.513 -8.820 4.568 163 H LEU 24 H LEU 24 3.444 -10.316 2.390 164 HA LEU 24 HA LEU 24 1.687 -10.923 4.679 165 HB2 LEU 24 2HB LEU 24 1.142 -10.641 1.696 166 HB3 LEU 24 3HB LEU 24 -0.079 -10.777 2.957 167 HG LEU 24 HG LEU 24 1.988 -8.510 2.780 168 HD11 LEU 24 1HD1 LEU 24 0.677 -8.643 0.777 169 HD12 LEU 24 2HD1 LEU 24 -0.836 -8.642 1.694 170 HD13 LEU 24 3HD1 LEU 24 0.234 -7.201 1.714 171 HD21 LEU 24 1HD2 LEU 24 1.048 -8.719 4.983 172 HD22 LEU 24 2HD2 LEU 24 0.266 -7.348 4.158 173 HD23 LEU 24 3HD2 LEU 24 -0.595 -8.896 4.308 174 H GLU 25 H GLU 25 2.003 -12.368 1.444 175 HA GLU 25 HA GLU 25 2.225 -14.408 0.655 176 HB2 GLU 25 2HB GLU 25 3.288 -15.467 3.284 177 HB3 GLU 25 3HB GLU 25 3.610 -16.018 1.626 178 HG2 GLU 25 2HG GLU 25 4.645 -13.704 1.242 179 HG3 GLU 25 3HG GLU 25 4.528 -13.510 3.024 180 H GLU 26 H GLU 26 -0.214 -13.596 1.979 181 HA GLU 26 HA GLU 26 -1.329 -16.322 2.306 182 HB2 GLU 26 2HB GLU 26 -1.063 -14.378 4.452 183 HB3 GLU 26 3HB GLU 26 -2.767 -14.747 4.186 184 HG2 GLU 26 2HG GLU 26 -2.279 -17.175 4.321 185 HG3 GLU 26 3HG GLU 26 -0.567 -16.829 4.559 186 H GLY 27 H GLY 27 -1.355 -14.167 0.275 187 HA2 GLY 27 2HA GLY 27 -2.871 -13.322 -1.281 188 HA3 GLY 27 3HA GLY 27 -3.955 -14.667 -0.828 189 H GLU 28 H GLU 28 -2.575 -12.145 1.173 190 HA GLU 28 HA GLU 28 -4.944 -11.697 2.688 191 HB2 GLU 28 2HB GLU 28 -2.306 -10.357 2.344 192 HB3 GLU 28 3HB GLU 28 -3.545 -9.327 3.009 193 HG2 GLU 28 2HG GLU 28 -3.109 -12.086 4.191 194 HG3 GLU 28 3HG GLU 28 -2.138 -10.693 4.692 195 H ASP 29 H ASP 29 -6.163 -9.726 2.936 196 HA ASP 29 HA ASP 29 -7.076 -8.788 0.345 197 HB2 ASP 29 2HB ASP 29 -7.963 -8.483 3.153 198 HB3 ASP 29 3HB ASP 29 -8.056 -6.974 2.258 199 H VAL 30 H VAL 30 -6.225 -7.193 -0.852 200 HA VAL 30 HA VAL 30 -4.648 -5.089 0.496 201 HB VAL 30 HB VAL 30 -3.044 -5.128 -1.394 202 HG11 VAL 30 1HG1 VAL 30 -1.754 -7.044 -0.667 203 HG12 VAL 30 2HG1 VAL 30 -2.595 -6.378 0.745 204 HG13 VAL 30 3HG1 VAL 30 -3.198 -7.849 -0.036 205 HG21 VAL 30 1HG2 VAL 30 -4.375 -6.203 -3.156 206 HG22 VAL 30 2HG2 VAL 30 -2.889 -7.113 -2.860 207 HG23 VAL 30 3HG2 VAL 30 -4.423 -7.718 -2.223 208 H ARG 31 H ARG 31 -5.050 -2.999 -0.339 209 HA ARG 31 HA ARG 31 -7.119 -2.933 -2.497 210 HB2 ARG 31 2HB ARG 31 -7.915 -1.982 -0.341 211 HB3 ARG 31 3HB ARG 31 -6.632 -0.773 -0.384 212 HG2 ARG 31 2HG ARG 31 -7.629 0.339 -2.231 213 HG3 ARG 31 3HG ARG 31 -8.411 -1.138 -2.799 214 HD2 ARG 31 2HD ARG 31 -10.265 -0.084 -2.021 215 HD3 ARG 31 3HD ARG 31 -9.825 -0.981 -0.587 216 HE ARG 31 HE ARG 31 -9.330 0.963 0.516 217 HH11 ARG 31 1HH1 ARG 31 -9.925 4.288 -0.554 218 HH12 ARG 31 2HH1 ARG 31 -9.691 3.263 0.812 219 HH21 ARG 31 1HH2 ARG 31 -9.958 3.361 -2.731 220 HH22 ARG 31 2HH2 ARG 31 -9.662 1.667 -2.924 221 H ARG 32 H ARG 32 -6.139 -2.427 -4.404 222 HA ARG 32 HA ARG 32 -3.590 -1.105 -4.328 223 HB2 ARG 32 2HB ARG 32 -3.905 -0.749 -6.803 224 HB3 ARG 32 3HB ARG 32 -3.944 -2.430 -6.275 225 HG2 ARG 32 2HG ARG 32 -6.007 -2.725 -7.033 226 HG3 ARG 32 3HG ARG 32 -6.644 -1.267 -6.266 227 HD2 ARG 32 2HD ARG 32 -5.937 0.126 -8.072 228 HD3 ARG 32 3HD ARG 32 -5.036 -1.217 -8.828 229 HE ARG 32 HE ARG 32 -7.765 -1.955 -8.462 230 HH11 ARG 32 1HH1 ARG 32 -8.680 -1.419 -11.822 231 HH12 ARG 32 2HH1 ARG 32 -9.082 -2.230 -10.354 232 HH21 ARG 32 1HH2 ARG 32 -6.729 -0.051 -11.914 233 HH22 ARG 32 2HH2 ARG 32 -5.773 0.119 -10.482 234 H LEU 33 H LEU 33 -3.090 1.036 -4.282 235 HA LEU 33 HA LEU 33 -5.165 2.965 -3.898 236 HB2 LEU 33 2HB LEU 33 -2.125 3.043 -4.324 237 HB3 LEU 33 3HB LEU 33 -3.072 4.471 -4.058 238 HG LEU 33 HG LEU 33 -2.266 4.031 -1.936 239 HD11 LEU 33 1HD1 LEU 33 -4.786 2.331 -1.752 240 HD12 LEU 33 2HD1 LEU 33 -4.060 3.353 -0.502 241 HD13 LEU 33 3HD1 LEU 33 -4.833 4.100 -1.910 242 HD21 LEU 33 1HD2 LEU 33 -1.204 1.871 -2.406 243 HD22 LEU 33 2HD2 LEU 33 -2.046 1.906 -0.844 244 HD23 LEU 33 3HD2 LEU 33 -2.773 1.048 -2.198 245 HA PRO 34 HA PRO 34 -5.853 4.078 -8.070 246 HB2 PRO 34 2HB PRO 34 -6.171 6.812 -7.963 247 HB3 PRO 34 3HB PRO 34 -7.371 5.639 -7.331 248 HG2 PRO 34 2HG PRO 34 -5.220 7.122 -5.798 249 HG3 PRO 34 3HG PRO 34 -6.957 6.948 -5.378 250 HD2 PRO 34 2HD PRO 34 -5.079 5.346 -4.270 251 HD3 PRO 34 3HD PRO 34 -6.665 4.680 -4.749 252 H CYS 35 H CYS 35 -2.919 4.874 -6.532 253 HA CYS 35 HA CYS 35 -1.732 6.278 -8.920 254 HB2 CYS 35 2HB CYS 35 -0.230 7.125 -7.460 255 HB3 CYS 35 3HB CYS 35 -1.678 7.166 -6.474 256 H MET 36 H MET 36 -2.525 3.387 -8.815 257 HA MET 36 HA MET 36 -1.713 1.333 -9.205 258 HB2 MET 36 2HB MET 36 -0.198 3.249 -10.839 259 HB3 MET 36 3HB MET 36 0.773 1.821 -10.546 260 HG2 MET 36 2HG MET 36 -2.087 1.554 -11.498 261 HG3 MET 36 3HG MET 36 -0.767 1.935 -12.606 262 HE1 MET 36 1HE MET 36 -2.155 -0.610 -13.593 263 HE2 MET 36 2HE MET 36 -0.679 0.208 -14.156 264 HE3 MET 36 3HE MET 36 -0.661 -1.541 -13.860 265 H HIS 37 H HIS 37 -1.444 0.770 -7.015 266 HA HIS 37 HA HIS 37 1.223 -0.074 -6.300 267 HB2 HIS 37 1HB HIS 37 0.039 2.426 -5.143 268 HB3 HIS 37 2HB HIS 37 0.584 1.253 -3.953 269 HD2 HIS 37 2HD HIS 37 3.145 0.443 -4.022 270 HE1 HIS 37 1HE HIS 37 4.622 3.800 -6.191 271 HE2 HIS 37 2HE HIS 37 5.280 1.767 -4.776 272 H LEU 38 H LEU 38 0.977 -1.539 -4.213 273 HA LEU 38 HA LEU 38 -1.836 -2.260 -3.650 274 HB2 LEU 38 2HB LEU 38 -1.660 -4.443 -4.242 275 HB3 LEU 38 3HB LEU 38 -0.695 -3.704 -5.502 276 HG LEU 38 HG LEU 38 1.290 -4.224 -3.721 277 HD11 LEU 38 1HD1 LEU 38 -0.635 -6.516 -3.252 278 HD12 LEU 38 2HD1 LEU 38 0.939 -6.225 -2.488 279 HD13 LEU 38 3HD1 LEU 38 -0.448 -5.185 -2.099 280 HD21 LEU 38 1HD2 LEU 38 1.760 -6.245 -4.949 281 HD22 LEU 38 2HD2 LEU 38 0.094 -6.324 -5.551 282 HD23 LEU 38 3HD2 LEU 38 1.179 -5.002 -6.056 283 H PHE 39 H PHE 39 -2.124 -2.782 -1.507 284 HA PHE 39 HA PHE 39 -0.011 -3.584 0.255 285 HB2 PHE 39 2HB PHE 39 -1.229 -0.819 0.627 286 HB3 PHE 39 3HB PHE 39 -0.285 -1.653 1.858 287 HD1 PHE 39 1HD PHE 39 -0.071 0.927 -0.391 288 HD2 PHE 39 2HD PHE 39 2.091 -2.634 0.693 289 HE1 PHE 39 1HE PHE 39 1.956 1.826 -1.496 290 HE2 PHE 39 2HE PHE 39 4.086 -1.773 -0.461 291 HZ PHE 39 HZ PHE 39 4.037 0.464 -1.560 292 H HIS 40 H HIS 40 -0.890 -3.999 2.414 293 HA HIS 40 HA HIS 40 -3.190 -5.437 2.759 294 HB2 HIS 40 1HB HIS 40 -1.248 -3.977 4.420 295 HB3 HIS 40 2HB HIS 40 -2.816 -3.932 5.162 296 HD2 HIS 40 2HD HIS 40 -3.710 -7.046 4.500 297 HE1 HIS 40 1HE HIS 40 -0.698 -7.675 7.445 298 HE2 HIS 40 2HE HIS 40 -2.752 -8.669 6.302 299 H GLN 41 H GLN 41 -5.411 -5.028 3.010 300 HA GLN 41 HA GLN 41 -6.507 -2.367 2.779 301 HB2 GLN 41 2HB GLN 41 -7.709 -5.099 3.402 302 HB3 GLN 41 3HB GLN 41 -8.677 -3.634 3.281 303 HG2 GLN 41 2HG GLN 41 -7.183 -3.476 1.000 304 HG3 GLN 41 3HG GLN 41 -7.458 -5.198 1.095 305 HE21 GLN 41 1HE2 GLN 41 -9.491 -5.957 0.198 306 HE22 GLN 41 2HE2 GLN 41 -10.785 -4.836 -0.101 307 H VAL 42 H VAL 42 -4.797 -2.897 5.264 308 HA VAL 42 HA VAL 42 -6.703 -1.633 7.131 309 HB VAL 42 HB VAL 42 -5.013 -4.067 7.839 310 HG11 VAL 42 1HG1 VAL 42 -5.873 -3.707 10.168 311 HG12 VAL 42 2HG1 VAL 42 -4.755 -2.439 9.651 312 HG13 VAL 42 3HG1 VAL 42 -6.504 -2.124 9.661 313 HG21 VAL 42 1HG2 VAL 42 -7.219 -4.937 8.646 314 HG22 VAL 42 2HG2 VAL 42 -8.004 -3.471 8.021 315 HG23 VAL 42 3HG2 VAL 42 -7.230 -4.618 6.909 316 H CYS 43 H CYS 43 -3.263 -2.713 6.811 317 HA CYS 43 HA CYS 43 -2.037 -0.654 8.239 318 HB2 CYS 43 2HB CYS 43 -1.049 -1.988 5.701 319 HB3 CYS 43 3HB CYS 43 -0.104 -1.185 6.969 320 H VAL 44 H VAL 44 -2.951 -0.515 4.722 321 HA VAL 44 HA VAL 44 -1.979 1.965 4.100 322 HB VAL 44 HB VAL 44 -3.978 2.292 2.637 323 HG11 VAL 44 1HG1 VAL 44 -2.056 1.089 1.844 324 HG12 VAL 44 2HG1 VAL 44 -2.621 -0.422 2.577 325 HG13 VAL 44 3HG1 VAL 44 -3.521 0.302 1.231 326 HG21 VAL 44 1HG2 VAL 44 -5.583 0.358 2.428 327 HG22 VAL 44 2HG2 VAL 44 -5.013 -0.229 4.000 328 HG23 VAL 44 3HG2 VAL 44 -5.805 1.348 3.872 329 H ASP 45 H ASP 45 -4.868 1.302 6.122 330 HA ASP 45 HA ASP 45 -5.375 4.127 6.573 331 HB2 ASP 45 2HB ASP 45 -7.153 2.315 6.394 332 HB3 ASP 45 3HB ASP 45 -6.599 1.699 7.955 333 H GLN 46 H GLN 46 -2.767 3.446 7.214 334 HA GLN 46 HA GLN 46 -2.706 4.309 10.005 335 HB2 GLN 46 2HB GLN 46 -2.319 1.683 9.706 336 HB3 GLN 46 3HB GLN 46 -0.702 2.190 9.197 337 HG2 GLN 46 2HG GLN 46 -0.611 3.585 11.348 338 HG3 GLN 46 3HG GLN 46 -2.102 2.767 11.839 339 HE21 GLN 46 1HE2 GLN 46 -1.892 0.161 11.493 340 HE22 GLN 46 2HE2 GLN 46 -0.379 -0.460 12.149 341 H ARG 47 H ARG 47 -0.557 3.312 7.254 342 HA ARG 47 HA ARG 47 1.208 5.564 7.730 343 HB2 ARG 47 2HB ARG 47 1.889 3.464 6.648 344 HB3 ARG 47 3HB ARG 47 0.980 3.893 5.191 345 HG2 ARG 47 2HG ARG 47 2.460 5.868 4.893 346 HG3 ARG 47 3HG ARG 47 3.274 5.471 6.424 347 HD2 ARG 47 2HD ARG 47 3.737 3.153 5.331 348 HD3 ARG 47 3HD ARG 47 3.323 3.946 3.798 349 HE ARG 47 HE ARG 47 5.214 5.533 5.204 350 HH11 ARG 47 1HH1 ARG 47 8.155 4.027 3.971 351 HH12 ARG 47 2HH1 ARG 47 7.513 5.368 4.845 352 HH21 ARG 47 1HH2 ARG 47 6.719 2.202 3.406 353 HH22 ARG 47 2HH2 ARG 47 5.039 2.395 3.578 354 H LEU 48 H LEU 48 -1.643 5.113 5.614 355 HA LEU 48 HA LEU 48 -1.137 7.790 4.433 356 HB2 LEU 48 2HB LEU 48 -3.147 5.639 3.627 357 HB3 LEU 48 3HB LEU 48 -2.927 7.197 2.868 358 HG LEU 48 HG LEU 48 -1.825 5.788 1.436 359 HD11 LEU 48 1HD1 LEU 48 0.450 6.716 3.219 360 HD12 LEU 48 2HD1 LEU 48 0.490 6.400 1.472 361 HD13 LEU 48 3HD1 LEU 48 -0.463 7.757 2.098 362 HD21 LEU 48 1HD2 LEU 48 -1.670 3.694 2.365 363 HD22 LEU 48 2HD2 LEU 48 0.035 4.169 2.282 364 HD23 LEU 48 3HD2 LEU 48 -0.838 4.235 3.821 365 H ILE 49 H ILE 49 -1.807 7.575 7.214 366 HA ILE 49 HA ILE 49 -4.546 8.660 7.376 367 HB ILE 49 HB ILE 49 -2.282 8.268 9.382 368 HG12 ILE 49 2HG1 ILE 49 -3.545 6.234 8.596 369 HG13 ILE 49 3HG1 ILE 49 -3.571 6.530 10.331 370 HG21 ILE 49 1HG2 ILE 49 -3.433 10.236 10.149 371 HG22 ILE 49 2HG2 ILE 49 -5.022 9.511 9.830 372 HG23 ILE 49 3HG2 ILE 49 -3.986 8.876 11.131 373 HD11 ILE 49 1HD1 ILE 49 -5.874 7.400 10.174 374 HD12 ILE 49 2HD1 ILE 49 -5.845 7.178 8.404 375 HD13 ILE 49 3HD1 ILE 49 -5.751 5.782 9.487 376 H THR 50 H THR 50 -1.344 9.956 8.495 377 HA THR 50 HA THR 50 -2.239 12.608 7.939 378 HB THR 50 HB THR 50 0.603 11.846 8.638 379 HG1 THR 50 1HG THR 50 -0.188 11.593 10.797 380 HG21 THR 50 1HG2 THR 50 0.357 13.756 10.216 381 HG22 THR 50 2HG2 THR 50 0.018 14.265 8.557 382 HG23 THR 50 3HG2 THR 50 -1.324 13.979 9.684 383 H ASN 51 H ASN 51 -1.586 10.618 5.509 384 HA ASN 51 HA ASN 51 -0.370 12.699 3.892 385 HB2 ASN 51 2HB ASN 51 1.651 11.522 4.784 386 HB3 ASN 51 3HB ASN 51 1.006 9.988 4.155 387 HD21 ASN 51 1HD2 ASN 51 2.488 9.574 2.430 388 HD22 ASN 51 2HD2 ASN 51 2.671 10.676 1.085 389 H LYS 52 H LYS 52 -0.746 12.235 1.571 390 HA LYS 52 HA LYS 52 -2.324 9.838 0.968 391 HB2 LYS 52 2HB LYS 52 -4.346 10.998 0.379 392 HB3 LYS 52 3HB LYS 52 -3.952 11.280 2.064 393 HG2 LYS 52 2HG LYS 52 -2.783 13.497 0.769 394 HG3 LYS 52 3HG LYS 52 -4.234 13.186 -0.181 395 HD2 LYS 52 2HD LYS 52 -5.287 14.451 1.388 396 HD3 LYS 52 3HD LYS 52 -5.268 12.985 2.352 397 HE2 LYS 52 2HE LYS 52 -4.200 14.211 3.907 398 HE3 LYS 52 3HE LYS 52 -2.764 13.954 2.907 399 HZ1 LYS 52 1HZ LYS 52 -4.595 16.265 2.790 400 HZ2 LYS 52 2HZ LYS 52 -3.061 16.279 3.387 401 HZ3 LYS 52 3HZ LYS 52 -3.324 16.047 1.771 402 H LYS 53 H LYS 53 -0.007 10.128 -0.213 403 HA LYS 53 HA LYS 53 -0.605 10.956 -2.911 404 HB2 LYS 53 2HB LYS 53 1.102 12.644 -3.196 405 HB3 LYS 53 3HB LYS 53 -0.102 13.129 -2.003 406 HG2 LYS 53 2HG LYS 53 1.707 12.085 -0.299 407 HG3 LYS 53 3HG LYS 53 2.805 12.418 -1.635 408 HD2 LYS 53 2HD LYS 53 1.267 14.766 -1.448 409 HD3 LYS 53 3HD LYS 53 1.456 14.267 0.240 410 HE2 LYS 53 2HE LYS 53 3.911 14.172 -0.066 411 HE3 LYS 53 3HE LYS 53 3.717 14.584 -1.780 412 HZ1 LYS 53 1HZ LYS 53 2.723 16.679 -1.083 413 HZ2 LYS 53 2HZ LYS 53 2.980 16.306 0.499 414 HZ3 LYS 53 3HZ LYS 53 4.260 16.531 -0.512 415 H CYS 54 H CYS 54 0.730 9.899 -4.360 416 HA CYS 54 HA CYS 54 2.450 7.695 -3.333 417 HB2 CYS 54 2HB CYS 54 1.053 8.405 -5.816 418 HB3 CYS 54 3HB CYS 54 2.759 8.031 -6.093 419 HA PRO 55 HA PRO 55 6.256 9.970 -3.883 420 HB2 PRO 55 2HB PRO 55 8.044 7.936 -4.346 421 HB3 PRO 55 3HB PRO 55 7.300 8.252 -2.753 422 HG2 PRO 55 2HG PRO 55 6.513 6.155 -4.780 423 HG3 PRO 55 3HG PRO 55 6.624 6.015 -3.008 424 HD2 PRO 55 2HD PRO 55 4.260 6.461 -4.386 425 HD3 PRO 55 3HD PRO 55 4.537 6.988 -2.699 426 H ILE 56 H ILE 56 6.363 7.276 -6.336 427 HA ILE 56 HA ILE 56 6.932 9.404 -8.320 428 HB ILE 56 HB ILE 56 8.892 8.171 -7.930 429 HG12 ILE 56 2HG1 ILE 56 8.057 6.851 -10.485 430 HG13 ILE 56 3HG1 ILE 56 7.873 8.608 -10.391 431 HG21 ILE 56 1HG2 ILE 56 8.111 6.116 -6.917 432 HG22 ILE 56 2HG2 ILE 56 7.304 5.621 -8.426 433 HG23 ILE 56 3HG2 ILE 56 9.071 5.711 -8.342 434 HD11 ILE 56 1HD1 ILE 56 10.067 7.953 -11.320 435 HD12 ILE 56 2HD1 ILE 56 10.225 8.890 -9.822 436 HD13 ILE 56 3HD1 ILE 56 10.465 7.126 -9.797 437 H CYS 57 H CYS 57 4.590 9.309 -7.907 438 HA CYS 57 HA CYS 57 3.330 8.157 -10.369 439 HB2 CYS 57 2HB CYS 57 1.602 8.090 -7.972 440 HB3 CYS 57 3HB CYS 57 1.520 7.157 -9.447 441 H ARG 58 H ARG 58 3.031 10.386 -7.512 442 HA ARG 58 HA ARG 58 2.296 12.463 -7.319 443 HB2 ARG 58 2HB ARG 58 3.987 12.684 -9.251 444 HB3 ARG 58 3HB ARG 58 2.594 12.925 -10.300 445 HG2 ARG 58 2HG ARG 58 3.161 14.571 -7.783 446 HG3 ARG 58 3HG ARG 58 3.762 14.998 -9.386 447 HD2 ARG 58 2HD ARG 58 1.441 15.147 -10.231 448 HD3 ARG 58 3HD ARG 58 0.834 14.820 -8.590 449 HE ARG 58 HE ARG 58 2.534 16.923 -8.226 450 HH11 ARG 58 1HH1 ARG 58 0.328 19.583 -8.942 451 HH12 ARG 58 2HH1 ARG 58 1.758 19.116 -8.098 452 HH21 ARG 58 1HH2 ARG 58 -0.868 17.974 -10.221 453 HH22 ARG 58 2HH2 ARG 58 -0.285 16.345 -10.254 454 H VAL 59 H VAL 59 0.392 10.881 -6.983 455 HA VAL 59 HA VAL 59 -1.943 12.230 -8.127 456 HB VAL 59 HB VAL 59 -1.461 9.219 -8.055 457 HG11 VAL 59 1HG1 VAL 59 -3.662 9.534 -7.057 458 HG12 VAL 59 2HG1 VAL 59 -4.126 10.676 -8.339 459 HG13 VAL 59 3HG1 VAL 59 -3.859 8.956 -8.709 460 HG21 VAL 59 1HG2 VAL 59 -2.266 9.356 -10.410 461 HG22 VAL 59 2HG2 VAL 59 -2.392 11.122 -10.249 462 HG23 VAL 59 3HG2 VAL 59 -0.809 10.321 -10.153 463 H ASP 60 H ASP 60 -3.456 12.603 -6.487 464 HA ASP 60 HA ASP 60 -2.699 12.126 -3.754 465 HB2 ASP 60 2HB ASP 60 -5.192 13.221 -5.104 466 HB3 ASP 60 3HB ASP 60 -5.058 13.007 -3.353 467 H ILE 61 H ILE 61 -3.002 10.258 -2.717 468 HA ILE 61 HA ILE 61 -4.163 7.966 -3.927 469 HB ILE 61 HB ILE 61 -3.357 8.506 -1.037 470 HG12 ILE 61 2HG1 ILE 61 -1.462 9.062 -2.297 471 HG13 ILE 61 3HG1 ILE 61 -1.160 7.435 -1.728 472 HG21 ILE 61 1HG2 ILE 61 -4.532 6.392 -1.212 473 HG22 ILE 61 2HG2 ILE 61 -3.516 5.898 -2.581 474 HG23 ILE 61 3HG2 ILE 61 -2.797 6.119 -0.965 475 HD11 ILE 61 1HD1 ILE 61 -2.045 8.340 -4.493 476 HD12 ILE 61 2HD1 ILE 61 -0.502 7.631 -4.018 477 HD13 ILE 61 3HD1 ILE 61 -1.977 6.634 -3.989 478 H GLU 62 H GLU 62 -5.410 10.463 -1.884 479 HA GLU 62 HA GLU 62 -7.591 9.146 -0.654 480 HB2 GLU 62 2HB GLU 62 -6.521 11.374 -0.117 481 HB3 GLU 62 3HB GLU 62 -7.369 12.075 -1.494 482 HG2 GLU 62 2HG GLU 62 -9.531 11.566 -0.451 483 HG3 GLU 62 3HG GLU 62 -8.727 10.659 0.843 484 H ALA 63 H ALA 63 -7.563 11.250 -3.631 485 HA ALA 63 HA ALA 63 -9.262 9.496 -5.074 486 HB1 ALA 63 1HB ALA 63 -11.066 10.415 -3.663 487 HB2 ALA 63 2HB ALA 63 -10.489 12.065 -3.976 488 HB3 ALA 63 3HB ALA 63 -11.198 11.105 -5.292 489 H GLN 64 H GLN 64 -9.430 10.274 -7.290 490 HA GLN 64 HA GLN 64 -7.457 12.334 -7.987 491 HB2 GLN 64 2HB GLN 64 -7.708 10.239 -9.312 492 HB3 GLN 64 3HB GLN 64 -9.377 10.678 -9.701 493 HG2 GLN 64 2HG GLN 64 -8.593 12.672 -10.916 494 HG3 GLN 64 3HG GLN 64 -6.922 12.337 -10.428 495 HE21 GLN 64 1HE2 GLN 64 -5.716 11.365 -12.086 496 HE22 GLN 64 2HE2 GLN 64 -6.442 10.271 -13.255 497 H LEU 65 H LEU 65 -8.121 14.401 -7.683 498 HA LEU 65 HA LEU 65 -9.377 16.273 -7.515 499 HB2 LEU 65 2HB LEU 65 -10.172 15.095 -10.131 500 HB3 LEU 65 3HB LEU 65 -11.190 16.385 -9.528 501 HG LEU 65 HG LEU 65 -9.409 17.161 -11.036 502 HD11 LEU 65 1HD1 LEU 65 -8.809 19.127 -9.741 503 HD12 LEU 65 2HD1 LEU 65 -10.479 18.664 -9.387 504 HD13 LEU 65 3HD1 LEU 65 -9.193 18.308 -8.218 505 HD21 LEU 65 1HD2 LEU 65 -7.105 17.333 -10.308 506 HD22 LEU 65 2HD2 LEU 65 -7.470 16.533 -8.770 507 HD23 LEU 65 3HD2 LEU 65 -7.595 15.629 -10.301 508 HA PRO 66 HA PRO 66 -12.887 14.295 -5.292 509 HB2 PRO 66 2HB PRO 66 -12.369 15.411 -2.831 510 HB3 PRO 66 3HB PRO 66 -11.628 13.888 -3.392 511 HG2 PRO 66 2HG PRO 66 -10.444 16.674 -3.442 512 HG3 PRO 66 3HG PRO 66 -9.662 15.147 -2.926 513 HD2 PRO 66 2HD PRO 66 -9.295 16.237 -5.405 514 HD3 PRO 66 3HD PRO 66 -9.326 14.465 -5.154 515 H SER 67 H SER 67 -14.706 15.402 -5.817 516 HA SER 67 HA SER 67 -15.201 17.974 -4.593 517 HB2 SER 67 2HB SER 67 -14.345 17.910 -7.386 518 HB3 SER 67 3HB SER 67 -16.021 18.477 -7.278 519 HG SER 67 HG SER 67 -15.277 19.979 -5.672 520 H GLU 68 H GLU 68 -16.431 15.980 -7.369 521 HA GLU 68 HA GLU 68 -19.111 15.884 -6.141 522 HB2 GLU 68 2HB GLU 68 -17.841 15.121 -8.758 523 HB3 GLU 68 3HB GLU 68 -19.215 14.138 -8.216 524 HG2 GLU 68 2HG GLU 68 -20.675 16.012 -8.088 525 HG3 GLU 68 3HG GLU 68 -19.344 17.171 -8.188 526 H SER 69 H SER 69 -19.800 14.184 -4.881 527 HA SER 69 HA SER 69 -18.594 11.583 -4.887 528 HB2 SER 69 2HB SER 69 -18.410 13.394 -2.429 529 HB3 SER 69 3HB SER 69 -18.181 11.635 -2.411 530 HG SER 69 HG SER 69 -16.664 12.864 -4.312 Start of MODEL 9 1 H1 MET 1 H1 MET 1 25.162 -38.431 3.513 2 H2 MET 1 H2 MET 1 25.739 -37.960 4.989 3 H3 MET 1 H3 MET 1 24.271 -37.425 4.458 4 HA MET 1 HA MET 1 25.872 -35.670 4.219 5 HB2 MET 1 2HB MET 1 27.294 -37.755 2.510 6 HB3 MET 1 3HB MET 1 27.688 -36.028 2.510 7 HG2 MET 1 2HG MET 1 28.277 -36.108 4.875 8 HG3 MET 1 3HG MET 1 27.777 -37.802 4.982 9 HE1 MET 1 1HE MET 1 30.040 -38.423 6.126 10 HE2 MET 1 2HE MET 1 31.639 -38.078 5.431 11 HE3 MET 1 3HE MET 1 30.617 -36.742 6.005 12 H LYS 2 H LYS 2 24.307 -34.414 3.169 13 HA LYS 2 HA LYS 2 24.000 -34.594 0.345 14 HB2 LYS 2 2HB LYS 2 22.360 -36.391 1.699 15 HB3 LYS 2 3HB LYS 2 21.326 -34.982 1.652 16 HG2 LYS 2 2HG LYS 2 22.675 -36.186 -0.819 17 HG3 LYS 2 3HG LYS 2 21.111 -36.709 -0.201 18 HD2 LYS 2 2HD LYS 2 20.371 -34.233 -0.412 19 HD3 LYS 2 3HD LYS 2 21.803 -34.052 -1.462 20 HE2 LYS 2 2HE LYS 2 21.003 -35.766 -2.966 21 HE3 LYS 2 3HE LYS 2 19.678 -36.180 -1.865 22 HZ1 LYS 2 1HZ LYS 2 18.662 -34.106 -2.261 23 HZ2 LYS 2 2HZ LYS 2 19.861 -33.478 -3.081 24 HZ3 LYS 2 3HZ LYS 2 18.980 -34.722 -3.727 25 H GLN 3 H GLN 3 22.476 -32.692 -0.301 26 HA GLN 3 HA GLN 3 21.527 -30.985 1.861 27 HB2 GLN 3 2HB GLN 3 23.970 -30.271 1.106 28 HB3 GLN 3 3HB GLN 3 23.155 -29.758 -0.379 29 HG2 GLN 3 2HG GLN 3 21.502 -28.559 1.377 30 HG3 GLN 3 3HG GLN 3 22.901 -28.695 2.441 31 HE21 GLN 3 1HE2 GLN 3 25.051 -27.747 1.479 32 HE22 GLN 3 2HE2 GLN 3 24.822 -26.337 0.450 33 H ASP 4 H ASP 4 19.697 -29.843 1.142 34 HA ASP 4 HA ASP 4 19.168 -29.558 -1.696 35 HB2 ASP 4 2HB ASP 4 17.260 -30.992 0.204 36 HB3 ASP 4 3HB ASP 4 16.742 -30.211 -1.293 37 H GLY 5 H GLY 5 19.061 -27.373 -1.613 38 HA2 GLY 5 2HA GLY 5 17.788 -25.974 0.691 39 HA3 GLY 5 3HA GLY 5 18.729 -25.219 -0.611 40 H GLU 6 H GLU 6 16.431 -23.880 -0.263 41 HA GLU 6 HA GLU 6 14.781 -24.641 -2.532 42 HB2 GLU 6 2HB GLU 6 13.869 -25.721 -0.345 43 HB3 GLU 6 3HB GLU 6 13.486 -24.066 0.162 44 HG2 GLU 6 2HG GLU 6 12.115 -23.799 -1.928 45 HG3 GLU 6 3HG GLU 6 12.506 -25.465 -2.372 46 H GLU 7 H GLU 7 13.435 -22.690 -3.142 47 HA GLU 7 HA GLU 7 14.134 -20.153 -1.904 48 HB2 GLU 7 2HB GLU 7 15.427 -21.115 -4.391 49 HB3 GLU 7 3HB GLU 7 14.553 -19.599 -4.624 50 HG2 GLU 7 2HG GLU 7 15.729 -18.581 -2.715 51 HG3 GLU 7 3HG GLU 7 16.601 -20.093 -2.428 52 H GLY 8 H GLY 8 12.950 -18.382 -3.351 53 HA2 GLY 8 2HA GLY 8 10.169 -19.349 -3.671 54 HA3 GLY 8 3HA GLY 8 10.704 -17.667 -3.514 55 H THR 9 H THR 9 9.909 -16.727 -5.441 56 HA THR 9 HA THR 9 11.103 -17.574 -7.920 57 HB THR 9 HB THR 9 9.359 -19.263 -7.702 58 HG1 THR 9 1HG THR 9 9.762 -18.642 -9.747 59 HG21 THR 9 1HG2 THR 9 6.981 -18.687 -7.780 60 HG22 THR 9 2HG2 THR 9 7.743 -18.109 -6.287 61 HG23 THR 9 3HG2 THR 9 7.366 -16.967 -7.591 62 H GLU 10 H GLU 10 8.669 -16.185 -9.248 63 HA GLU 10 HA GLU 10 9.681 -13.602 -9.495 64 HB2 GLU 10 2HB GLU 10 7.786 -15.009 -10.768 65 HB3 GLU 10 3HB GLU 10 6.706 -14.171 -9.658 66 HG2 GLU 10 2HG GLU 10 6.784 -12.869 -11.656 67 HG3 GLU 10 3HG GLU 10 7.759 -11.982 -10.475 68 H GLU 11 H GLU 11 9.336 -11.617 -8.377 69 HA GLU 11 HA GLU 11 7.351 -11.493 -6.261 70 HB2 GLU 11 2HB GLU 11 9.320 -12.872 -5.295 71 HB3 GLU 11 3HB GLU 11 10.286 -11.414 -5.415 72 HG2 GLU 11 2HG GLU 11 8.009 -10.484 -4.131 73 HG3 GLU 11 3HG GLU 11 8.072 -12.139 -3.546 74 H ASP 12 H ASP 12 6.767 -9.541 -7.599 75 HA ASP 12 HA ASP 12 8.484 -7.248 -6.858 76 HB2 ASP 12 2HB ASP 12 9.137 -7.843 -9.185 77 HB3 ASP 12 3HB ASP 12 7.458 -7.565 -9.690 78 H THR 13 H THR 13 7.350 -5.493 -6.365 79 HA THR 13 HA THR 13 5.557 -4.980 -4.789 80 HB THR 13 HB THR 13 4.206 -3.403 -6.228 81 HG1 THR 13 1HG THR 13 4.996 -3.204 -8.385 82 HG21 THR 13 1HG2 THR 13 6.402 -2.837 -5.154 83 HG22 THR 13 2HG2 THR 13 7.222 -3.327 -6.656 84 HG23 THR 13 3HG2 THR 13 6.102 -1.953 -6.662 85 H GLU 14 H GLU 14 5.044 -7.590 -5.015 86 HA GLU 14 HA GLU 14 2.542 -7.989 -6.383 87 HB2 GLU 14 2HB GLU 14 4.933 -9.359 -6.107 88 HB3 GLU 14 3HB GLU 14 3.866 -10.327 -5.109 89 HG2 GLU 14 2HG GLU 14 2.377 -10.785 -6.901 90 HG3 GLU 14 3HG GLU 14 2.980 -9.448 -7.884 91 H GLU 15 H GLU 15 3.757 -8.985 -3.119 92 HA GLU 15 HA GLU 15 1.108 -8.279 -2.022 93 HB2 GLU 15 2HB GLU 15 1.331 -10.807 -2.854 94 HB3 GLU 15 3HB GLU 15 2.235 -11.016 -1.368 95 HG2 GLU 15 2HG GLU 15 0.111 -11.425 -0.552 96 HG3 GLU 15 3HG GLU 15 0.107 -9.669 -0.360 97 H LYS 16 H LYS 16 3.085 -6.671 -1.545 98 HA LYS 16 HA LYS 16 4.623 -7.601 0.890 99 HB2 LYS 16 2HB LYS 16 5.720 -5.937 -1.419 100 HB3 LYS 16 3HB LYS 16 6.600 -6.538 -0.005 101 HG2 LYS 16 2HG LYS 16 5.976 -8.874 -0.749 102 HG3 LYS 16 3HG LYS 16 5.369 -8.204 -2.242 103 HD2 LYS 16 2HD LYS 16 8.244 -7.807 -1.323 104 HD3 LYS 16 3HD LYS 16 7.683 -9.207 -2.240 105 HE2 LYS 16 2HE LYS 16 6.792 -7.632 -3.988 106 HE3 LYS 16 3HE LYS 16 7.596 -6.304 -3.134 107 HZ1 LYS 16 1HZ LYS 16 8.888 -8.680 -4.375 108 HZ2 LYS 16 2HZ LYS 16 9.108 -7.137 -4.845 109 HZ3 LYS 16 3HZ LYS 16 9.680 -7.762 -3.402 110 H CYS 17 H CYS 17 3.865 -6.367 2.521 111 HA CYS 17 HA CYS 17 2.600 -3.697 2.224 112 HB2 CYS 17 2HB CYS 17 1.809 -5.396 3.776 113 HB3 CYS 17 3HB CYS 17 3.382 -5.424 4.586 114 H THR 18 H THR 18 3.997 -2.024 1.691 115 HA THR 18 HA THR 18 6.766 -2.174 2.765 116 HB THR 18 HB THR 18 7.181 -0.225 1.348 117 HG1 THR 18 1HG THR 18 4.638 -0.463 0.217 118 HG21 THR 18 1HG2 THR 18 6.850 -1.310 -0.874 119 HG22 THR 18 2HG2 THR 18 7.465 -2.460 0.317 120 HG23 THR 18 3HG2 THR 18 5.770 -2.507 -0.153 121 H ILE 19 H ILE 19 3.865 -1.340 4.021 122 HA ILE 19 HA ILE 19 4.539 1.215 5.274 123 HB ILE 19 HB ILE 19 2.210 -0.673 5.650 124 HG12 ILE 19 2HG1 ILE 19 2.825 1.496 3.647 125 HG13 ILE 19 3HG1 ILE 19 2.015 -0.074 3.443 126 HG21 ILE 19 1HG2 ILE 19 2.571 0.832 7.573 127 HG22 ILE 19 2HG2 ILE 19 2.659 2.218 6.478 128 HG23 ILE 19 3HG2 ILE 19 1.135 1.310 6.685 129 HD11 ILE 19 1HD1 ILE 19 0.828 2.365 4.684 130 HD12 ILE 19 2HD1 ILE 19 0.475 1.647 3.086 131 HD13 ILE 19 3HD1 ILE 19 0.077 0.737 4.558 132 H CYS 20 H CYS 20 3.645 -2.109 6.364 133 HA CYS 20 HA CYS 20 5.008 -1.852 9.004 134 HB2 CYS 20 2HB CYS 20 4.072 -4.098 9.294 135 HB3 CYS 20 3HB CYS 20 2.836 -2.888 8.945 136 H LEU 21 H LEU 21 6.214 -2.135 5.985 137 HA LEU 21 HA LEU 21 7.982 -3.142 5.001 138 HB2 LEU 21 2HB LEU 21 9.004 -2.812 7.844 139 HB3 LEU 21 3HB LEU 21 10.030 -3.129 6.449 140 HG LEU 21 HG LEU 21 8.251 -0.863 5.900 141 HD11 LEU 21 1HD1 LEU 21 10.099 -0.598 8.309 142 HD12 LEU 21 2HD1 LEU 21 9.248 0.732 7.485 143 HD13 LEU 21 3HD1 LEU 21 8.319 -0.514 8.330 144 HD21 LEU 21 1HD2 LEU 21 10.318 -1.415 4.655 145 HD22 LEU 21 2HD2 LEU 21 10.359 0.227 5.321 146 HD23 LEU 21 3HD2 LEU 21 11.281 -1.071 6.111 147 H SER 22 H SER 22 6.165 -5.060 5.258 148 HA SER 22 HA SER 22 7.755 -7.455 5.911 149 HB2 SER 22 2HB SER 22 4.953 -6.943 6.984 150 HB3 SER 22 3HB SER 22 5.848 -8.462 7.120 151 HG SER 22 HG SER 22 6.717 -5.972 8.202 152 H ILE 23 H ILE 23 6.815 -9.358 4.947 153 HA ILE 23 HA ILE 23 5.450 -8.803 2.385 154 HB ILE 23 HB ILE 23 6.688 -11.400 3.372 155 HG12 ILE 23 2HG1 ILE 23 8.520 -9.853 3.491 156 HG13 ILE 23 3HG1 ILE 23 8.715 -10.836 2.053 157 HG21 ILE 23 1HG2 ILE 23 5.771 -10.336 0.693 158 HG22 ILE 23 2HG2 ILE 23 6.928 -11.677 0.802 159 HG23 ILE 23 3HG2 ILE 23 5.323 -11.837 1.512 160 HD11 ILE 23 1HD1 ILE 23 7.847 -8.992 0.653 161 HD12 ILE 23 2HD1 ILE 23 7.646 -7.974 2.099 162 HD13 ILE 23 3HD1 ILE 23 9.261 -8.490 1.593 163 H LEU 24 H LEU 24 3.612 -10.220 1.859 164 HA LEU 24 HA LEU 24 2.073 -10.956 4.287 165 HB2 LEU 24 2HB LEU 24 1.017 -10.010 1.594 166 HB3 LEU 24 3HB LEU 24 0.104 -10.243 3.073 167 HG LEU 24 HG LEU 24 2.340 -8.185 2.640 168 HD11 LEU 24 1HD1 LEU 24 -0.676 -7.890 2.619 169 HD12 LEU 24 2HD1 LEU 24 0.535 -6.596 2.373 170 HD13 LEU 24 3HD1 LEU 24 0.393 -7.915 1.196 171 HD21 LEU 24 1HD2 LEU 24 1.364 -7.247 4.762 172 HD22 LEU 24 2HD2 LEU 24 0.374 -8.725 4.893 173 HD23 LEU 24 3HD2 LEU 24 2.146 -8.815 4.962 174 H GLU 25 H GLU 25 1.697 -11.635 0.835 175 HA GLU 25 HA GLU 25 1.029 -13.485 -0.254 176 HB2 GLU 25 2HB GLU 25 2.793 -15.131 -0.448 177 HB3 GLU 25 3HB GLU 25 3.454 -13.500 -0.371 178 HG2 GLU 25 2HG GLU 25 4.091 -13.821 1.985 179 HG3 GLU 25 3HG GLU 25 3.348 -15.428 1.996 180 H GLU 26 H GLU 26 -0.216 -13.326 2.372 181 HA GLU 26 HA GLU 26 -0.613 -16.196 2.957 182 HB2 GLU 26 2HB GLU 26 -0.387 -13.717 4.609 183 HB3 GLU 26 3HB GLU 26 -1.562 -14.899 5.164 184 HG2 GLU 26 2HG GLU 26 0.147 -16.681 5.139 185 HG3 GLU 26 3HG GLU 26 1.359 -15.532 4.577 186 H GLY 27 H GLY 27 -2.036 -14.579 0.961 187 HA2 GLY 27 2HA GLY 27 -4.225 -14.358 0.111 188 HA3 GLY 27 3HA GLY 27 -4.745 -15.516 1.355 189 H GLU 28 H GLU 28 -3.037 -12.596 2.216 190 HA GLU 28 HA GLU 28 -5.185 -11.600 3.891 191 HB2 GLU 28 2HB GLU 28 -2.365 -10.916 3.216 192 HB3 GLU 28 3HB GLU 28 -3.342 -9.516 3.587 193 HG2 GLU 28 2HG GLU 28 -3.407 -11.930 5.422 194 HG3 GLU 28 3HG GLU 28 -2.147 -10.691 5.553 195 H ASP 29 H ASP 29 -5.928 -9.322 3.714 196 HA ASP 29 HA ASP 29 -6.741 -8.789 0.930 197 HB2 ASP 29 2HB ASP 29 -8.408 -8.735 2.795 198 HB3 ASP 29 3HB ASP 29 -7.561 -7.359 3.496 199 H VAL 30 H VAL 30 -6.246 -6.847 -0.137 200 HA VAL 30 HA VAL 30 -4.078 -5.198 0.949 201 HB VAL 30 HB VAL 30 -2.755 -5.432 -1.110 202 HG11 VAL 30 1HG1 VAL 30 -1.691 -7.500 -0.517 203 HG12 VAL 30 2HG1 VAL 30 -2.306 -6.789 0.983 204 HG13 VAL 30 3HG1 VAL 30 -3.167 -8.138 0.220 205 HG21 VAL 30 1HG2 VAL 30 -4.412 -6.285 -2.728 206 HG22 VAL 30 2HG2 VAL 30 -3.084 -7.432 -2.558 207 HG23 VAL 30 3HG2 VAL 30 -4.621 -7.766 -1.763 208 H ARG 31 H ARG 31 -4.640 -3.087 0.647 209 HA ARG 31 HA ARG 31 -6.841 -2.592 -1.281 210 HB2 ARG 31 2HB ARG 31 -6.951 -1.757 1.102 211 HB3 ARG 31 3HB ARG 31 -5.611 -0.660 0.728 212 HG2 ARG 31 2HG ARG 31 -7.015 0.259 -1.177 213 HG3 ARG 31 3HG ARG 31 -8.350 -0.771 -0.649 214 HD2 ARG 31 2HD ARG 31 -7.022 1.365 1.070 215 HD3 ARG 31 3HD ARG 31 -8.481 1.622 0.099 216 HE ARG 31 HE ARG 31 -8.879 -0.612 1.832 217 HH11 ARG 31 1HH1 ARG 31 -10.202 1.247 4.508 218 HH12 ARG 31 2HH1 ARG 31 -9.956 -0.358 3.909 219 HH21 ARG 31 1HH2 ARG 31 -9.462 3.042 3.466 220 HH22 ARG 31 2HH2 ARG 31 -8.653 2.970 1.924 221 H ARG 32 H ARG 32 -5.814 -2.610 -3.328 222 HA ARG 32 HA ARG 32 -3.253 -1.279 -3.618 223 HB2 ARG 32 2HB ARG 32 -3.426 -1.658 -6.012 224 HB3 ARG 32 3HB ARG 32 -3.700 -3.127 -5.062 225 HG2 ARG 32 2HG ARG 32 -5.492 -3.503 -6.233 226 HG3 ARG 32 3HG ARG 32 -6.302 -2.159 -5.431 227 HD2 ARG 32 2HD ARG 32 -5.723 -0.644 -7.206 228 HD3 ARG 32 3HD ARG 32 -4.562 -1.791 -7.901 229 HE ARG 32 HE ARG 32 -6.995 -3.135 -7.855 230 HH11 ARG 32 1HH1 ARG 32 -8.161 -2.249 -11.051 231 HH12 ARG 32 2HH1 ARG 32 -8.246 -3.410 -9.780 232 HH21 ARG 32 1HH2 ARG 32 -6.697 -0.371 -10.833 233 HH22 ARG 32 2HH2 ARG 32 -5.770 -0.216 -9.379 234 H LEU 33 H LEU 33 -2.828 0.717 -3.911 235 HA LEU 33 HA LEU 33 -4.739 2.781 -4.021 236 HB2 LEU 33 2HB LEU 33 -1.775 2.815 -4.790 237 HB3 LEU 33 3HB LEU 33 -2.703 4.186 -4.231 238 HG LEU 33 HG LEU 33 -1.809 1.745 -2.680 239 HD11 LEU 33 1HD1 LEU 33 -0.233 3.691 -3.074 240 HD12 LEU 33 2HD1 LEU 33 -1.281 4.641 -2.006 241 HD13 LEU 33 3HD1 LEU 33 -0.473 3.182 -1.398 242 HD21 LEU 33 1HD2 LEU 33 -3.751 3.829 -1.662 243 HD22 LEU 33 2HD2 LEU 33 -4.021 2.089 -1.841 244 HD23 LEU 33 3HD2 LEU 33 -2.855 2.673 -0.657 245 HA PRO 34 HA PRO 34 -5.198 3.273 -8.466 246 HB2 PRO 34 2HB PRO 34 -5.239 6.001 -8.804 247 HB3 PRO 34 3HB PRO 34 -6.596 5.067 -8.101 248 HG2 PRO 34 2HG PRO 34 -4.399 6.548 -6.626 249 HG3 PRO 34 3HG PRO 34 -6.169 6.631 -6.346 250 HD2 PRO 34 2HD PRO 34 -4.593 5.037 -4.835 251 HD3 PRO 34 3HD PRO 34 -6.200 4.469 -5.362 252 H CYS 35 H CYS 35 -2.401 4.430 -6.721 253 HA CYS 35 HA CYS 35 -0.767 4.515 -9.291 254 HB2 CYS 35 2HB CYS 35 -0.721 6.701 -8.402 255 HB3 CYS 35 3HB CYS 35 -0.435 6.113 -6.749 256 H MET 36 H MET 36 -1.513 2.319 -8.674 257 HA MET 36 HA MET 36 -1.050 0.221 -8.027 258 HB2 MET 36 2HB MET 36 1.222 1.180 -9.819 259 HB3 MET 36 3HB MET 36 0.832 -0.517 -9.522 260 HG2 MET 36 2HG MET 36 -1.611 0.751 -10.253 261 HG3 MET 36 3HG MET 36 -0.389 1.320 -11.386 262 HE1 MET 36 1HE MET 36 1.601 -1.100 -11.741 263 HE2 MET 36 2HE MET 36 0.847 -1.999 -13.074 264 HE3 MET 36 3HE MET 36 0.897 -0.224 -13.122 265 H HIS 37 H HIS 37 -0.684 0.477 -5.755 266 HA HIS 37 HA HIS 37 2.024 -0.439 -5.001 267 HB2 HIS 37 1HB HIS 37 0.968 2.353 -4.544 268 HB3 HIS 37 2HB HIS 37 1.958 1.625 -3.311 269 HD2 HIS 37 2HD HIS 37 4.239 0.220 -4.742 270 HE1 HIS 37 1HE HIS 37 5.026 3.798 -6.908 271 HE2 HIS 37 2HE HIS 37 5.997 1.558 -6.142 272 H LEU 38 H LEU 38 0.620 -2.268 -4.533 273 HA LEU 38 HA LEU 38 -1.538 -1.898 -2.651 274 HB2 LEU 38 2HB LEU 38 -2.345 -3.917 -3.216 275 HB3 LEU 38 3HB LEU 38 -1.554 -3.391 -4.708 276 HG LEU 38 HG LEU 38 -0.477 -5.409 -2.700 277 HD11 LEU 38 1HD1 LEU 38 -1.238 -5.918 -5.573 278 HD12 LEU 38 2HD1 LEU 38 -1.035 -7.053 -4.218 279 HD13 LEU 38 3HD1 LEU 38 -2.445 -5.981 -4.268 280 HD21 LEU 38 1HD2 LEU 38 1.300 -5.756 -4.370 281 HD22 LEU 38 2HD2 LEU 38 0.613 -4.496 -5.419 282 HD23 LEU 38 3HD2 LEU 38 1.336 -4.066 -3.865 283 H PHE 39 H PHE 39 -1.374 -1.919 -0.455 284 HA PHE 39 HA PHE 39 0.887 -3.514 0.681 285 HB2 PHE 39 2HB PHE 39 0.257 -0.603 1.272 286 HB3 PHE 39 3HB PHE 39 1.544 -1.572 1.989 287 HD1 PHE 39 1HD PHE 39 1.487 1.180 0.332 288 HD2 PHE 39 2HD PHE 39 2.692 -2.860 -0.491 289 HE1 PHE 39 1HE PHE 39 3.172 1.999 -1.289 290 HE2 PHE 39 2HE PHE 39 4.287 -2.068 -2.185 291 HZ PHE 39 HZ PHE 39 4.574 0.390 -2.558 292 H HIS 40 H HIS 40 -1.140 -4.858 1.216 293 HA HIS 40 HA HIS 40 -2.438 -5.724 2.923 294 HB2 HIS 40 1HB HIS 40 -0.520 -4.095 4.350 295 HB3 HIS 40 2HB HIS 40 -2.091 -3.833 5.068 296 HD2 HIS 40 2HD HIS 40 -2.942 -7.115 4.773 297 HE1 HIS 40 1HE HIS 40 0.015 -7.282 7.831 298 HE2 HIS 40 2HE HIS 40 -2.001 -8.464 6.773 299 H GLN 41 H GLN 41 -4.480 -5.185 4.147 300 HA GLN 41 HA GLN 41 -5.882 -2.950 2.890 301 HB2 GLN 41 2HB GLN 41 -6.754 -5.262 3.292 302 HB3 GLN 41 3HB GLN 41 -6.891 -4.909 5.003 303 HG2 GLN 41 2HG GLN 41 -8.204 -3.210 2.826 304 HG3 GLN 41 3HG GLN 41 -8.980 -4.649 3.478 305 HE21 GLN 41 1HE2 GLN 41 -8.888 -4.665 6.106 306 HE22 GLN 41 2HE2 GLN 41 -9.471 -3.144 6.770 307 H VAL 42 H VAL 42 -5.409 -3.947 6.315 308 HA VAL 42 HA VAL 42 -6.277 -1.547 7.452 309 HB VAL 42 HB VAL 42 -4.258 -3.561 8.540 310 HG11 VAL 42 1HG1 VAL 42 -4.990 -2.733 10.778 311 HG12 VAL 42 2HG1 VAL 42 -4.153 -1.483 9.854 312 HG13 VAL 42 3HG1 VAL 42 -5.925 -1.447 9.981 313 HG21 VAL 42 1HG2 VAL 42 -6.279 -4.438 9.755 314 HG22 VAL 42 2HG2 VAL 42 -7.289 -3.341 8.793 315 HG23 VAL 42 3HG2 VAL 42 -6.381 -4.652 8.006 316 H CYS 43 H CYS 43 -2.854 -2.496 6.707 317 HA CYS 43 HA CYS 43 -1.601 -0.258 7.871 318 HB2 CYS 43 2HB CYS 43 -0.783 -1.867 5.430 319 HB3 CYS 43 3HB CYS 43 0.238 -0.820 6.426 320 H VAL 44 H VAL 44 -2.633 -0.623 4.399 321 HA VAL 44 HA VAL 44 -1.980 1.945 3.587 322 HB VAL 44 HB VAL 44 -4.297 0.128 2.827 323 HG11 VAL 44 1HG1 VAL 44 -4.649 1.640 0.839 324 HG12 VAL 44 2HG1 VAL 44 -5.206 2.339 2.366 325 HG13 VAL 44 3HG1 VAL 44 -3.666 2.874 1.658 326 HG21 VAL 44 1HG2 VAL 44 -1.930 -0.373 2.163 327 HG22 VAL 44 2HG2 VAL 44 -3.016 -0.159 0.792 328 HG23 VAL 44 3HG2 VAL 44 -1.887 1.140 1.251 329 H ASP 45 H ASP 45 -5.114 0.883 5.137 330 HA ASP 45 HA ASP 45 -5.927 3.692 5.341 331 HB2 ASP 45 2HB ASP 45 -7.368 1.617 4.717 332 HB3 ASP 45 3HB ASP 45 -7.468 1.327 6.450 333 H GLN 46 H GLN 46 -3.626 3.199 6.830 334 HA GLN 46 HA GLN 46 -4.580 4.010 9.484 335 HB2 GLN 46 2HB GLN 46 -4.395 1.559 9.585 336 HB3 GLN 46 3HB GLN 46 -2.705 1.622 9.111 337 HG2 GLN 46 2HG GLN 46 -3.709 3.171 11.529 338 HG3 GLN 46 3HG GLN 46 -3.479 1.426 11.643 339 HE21 GLN 46 1HE2 GLN 46 -2.017 2.937 13.370 340 HE22 GLN 46 2HE2 GLN 46 -0.337 2.899 12.853 341 H ARG 47 H ARG 47 -1.569 3.129 7.659 342 HA ARG 47 HA ARG 47 -0.132 5.356 8.741 343 HB2 ARG 47 2HB ARG 47 0.832 3.277 7.748 344 HB3 ARG 47 3HB ARG 47 0.446 3.927 6.148 345 HG2 ARG 47 2HG ARG 47 1.860 5.980 7.606 346 HG3 ARG 47 3HG ARG 47 2.699 4.456 7.903 347 HD2 ARG 47 2HD ARG 47 2.604 4.107 5.336 348 HD3 ARG 47 3HD ARG 47 2.164 5.825 5.248 349 HE ARG 47 HE ARG 47 4.415 5.679 6.884 350 HH11 ARG 47 1HH1 ARG 47 6.982 5.578 4.469 351 HH12 ARG 47 2HH1 ARG 47 6.609 5.846 6.129 352 HH21 ARG 47 1HH2 ARG 47 5.250 4.980 2.955 353 HH22 ARG 47 2HH2 ARG 47 3.629 4.872 3.546 354 H LEU 48 H LEU 48 -2.152 4.996 5.750 355 HA LEU 48 HA LEU 48 -1.405 7.743 4.935 356 HB2 LEU 48 2HB LEU 48 -3.240 5.682 3.650 357 HB3 LEU 48 3HB LEU 48 -2.936 7.276 3.018 358 HG LEU 48 HG LEU 48 -1.705 5.586 1.810 359 HD11 LEU 48 1HD1 LEU 48 0.453 6.705 1.747 360 HD12 LEU 48 2HD1 LEU 48 -0.840 7.900 1.946 361 HD13 LEU 48 3HD1 LEU 48 0.165 7.440 3.339 362 HD21 LEU 48 1HD2 LEU 48 0.088 5.171 4.213 363 HD22 LEU 48 2HD2 LEU 48 -1.220 4.054 3.768 364 HD23 LEU 48 3HD2 LEU 48 0.124 4.336 2.650 365 H ILE 49 H ILE 49 -2.605 7.717 7.477 366 HA ILE 49 HA ILE 49 -5.404 8.523 7.050 367 HB ILE 49 HB ILE 49 -3.556 8.434 9.451 368 HG12 ILE 49 2HG1 ILE 49 -6.333 7.279 8.884 369 HG13 ILE 49 3HG1 ILE 49 -4.832 6.418 8.576 370 HG21 ILE 49 1HG2 ILE 49 -6.316 9.744 9.344 371 HG22 ILE 49 2HG2 ILE 49 -5.408 9.381 10.825 372 HG23 ILE 49 3HG2 ILE 49 -4.785 10.572 9.705 373 HD11 ILE 49 1HD1 ILE 49 -4.263 6.672 11.047 374 HD12 ILE 49 2HD1 ILE 49 -5.914 7.290 11.287 375 HD13 ILE 49 3HD1 ILE 49 -5.671 5.649 10.687 376 H THR 50 H THR 50 -2.437 10.150 8.244 377 HA THR 50 HA THR 50 -3.561 12.756 7.568 378 HB THR 50 HB THR 50 -2.457 12.267 9.717 379 HG1 THR 50 1HG THR 50 -1.211 14.219 8.101 380 HG21 THR 50 1HG2 THR 50 -0.631 10.760 9.002 381 HG22 THR 50 2HG2 THR 50 0.147 12.105 8.137 382 HG23 THR 50 3HG2 THR 50 -0.020 12.154 9.900 383 H ASN 51 H ASN 51 -2.598 10.798 5.331 384 HA ASN 51 HA ASN 51 -1.278 12.828 3.742 385 HB2 ASN 51 2HB ASN 51 0.638 11.749 4.987 386 HB3 ASN 51 3HB ASN 51 0.145 10.182 4.306 387 HD21 ASN 51 1HD2 ASN 51 2.481 10.320 3.420 388 HD22 ASN 51 2HD2 ASN 51 2.647 11.164 1.889 389 H LYS 52 H LYS 52 -1.503 12.214 1.440 390 HA LYS 52 HA LYS 52 -2.717 9.666 0.767 391 HB2 LYS 52 2HB LYS 52 -4.444 11.782 1.692 392 HB3 LYS 52 3HB LYS 52 -4.786 11.548 -0.009 393 HG2 LYS 52 2HG LYS 52 -5.411 9.325 0.242 394 HG3 LYS 52 3HG LYS 52 -4.491 9.082 1.719 395 HD2 LYS 52 2HD LYS 52 -6.881 10.950 1.675 396 HD3 LYS 52 3HD LYS 52 -6.985 9.206 2.033 397 HE2 LYS 52 2HE LYS 52 -5.254 9.442 3.772 398 HE3 LYS 52 3HE LYS 52 -5.203 11.183 3.525 399 HZ1 LYS 52 1HZ LYS 52 -7.498 11.287 4.216 400 HZ2 LYS 52 2HZ LYS 52 -7.568 9.648 4.382 401 HZ3 LYS 52 3HZ LYS 52 -6.576 10.539 5.367 402 H LYS 53 H LYS 53 -0.545 10.422 -0.199 403 HA LYS 53 HA LYS 53 -0.946 11.036 -2.998 404 HB2 LYS 53 2HB LYS 53 0.842 12.736 -3.130 405 HB3 LYS 53 3HB LYS 53 -0.611 13.328 -2.326 406 HG2 LYS 53 2HG LYS 53 0.360 13.205 -0.180 407 HG3 LYS 53 3HG LYS 53 1.734 12.226 -0.726 408 HD2 LYS 53 2HD LYS 53 1.228 15.137 -1.459 409 HD3 LYS 53 3HD LYS 53 2.361 14.535 -0.232 410 HE2 LYS 53 2HE LYS 53 3.385 13.110 -2.160 411 HE3 LYS 53 3HE LYS 53 2.491 14.182 -3.247 412 HZ1 LYS 53 1HZ LYS 53 4.509 15.014 -1.258 413 HZ2 LYS 53 2HZ LYS 53 4.714 14.979 -2.888 414 HZ3 LYS 53 3HZ LYS 53 3.657 16.047 -2.214 415 H CYS 54 H CYS 54 1.318 10.645 -4.088 416 HA CYS 54 HA CYS 54 2.815 8.415 -2.664 417 HB2 CYS 54 2HB CYS 54 1.242 8.519 -5.074 418 HB3 CYS 54 3HB CYS 54 2.883 8.761 -5.478 419 HA PRO 55 HA PRO 55 6.021 11.560 -3.364 420 HB2 PRO 55 2HB PRO 55 8.268 10.088 -2.773 421 HB3 PRO 55 3HB PRO 55 7.163 10.757 -1.542 422 HG2 PRO 55 2HG PRO 55 7.297 7.925 -2.574 423 HG3 PRO 55 3HG PRO 55 7.026 8.502 -0.911 424 HD2 PRO 55 2HD PRO 55 5.001 7.689 -2.633 425 HD3 PRO 55 3HD PRO 55 4.758 8.859 -1.298 426 H ILE 56 H ILE 56 7.332 8.380 -4.450 427 HA ILE 56 HA ILE 56 8.252 9.736 -6.848 428 HB ILE 56 HB ILE 56 9.708 8.400 -5.356 429 HG12 ILE 56 2HG1 ILE 56 10.854 7.027 -7.140 430 HG13 ILE 56 3HG1 ILE 56 9.570 7.507 -8.252 431 HG21 ILE 56 1HG2 ILE 56 8.426 5.877 -6.439 432 HG22 ILE 56 2HG2 ILE 56 9.710 6.032 -5.238 433 HG23 ILE 56 3HG2 ILE 56 8.067 6.547 -4.838 434 HD11 ILE 56 1HD1 ILE 56 11.582 8.959 -8.419 435 HD12 ILE 56 2HD1 ILE 56 10.170 9.897 -7.904 436 HD13 ILE 56 3HD1 ILE 56 11.403 9.411 -6.715 437 H CYS 57 H CYS 57 5.764 9.806 -7.113 438 HA CYS 57 HA CYS 57 4.730 7.996 -9.286 439 HB2 CYS 57 2HB CYS 57 4.186 7.602 -6.476 440 HB3 CYS 57 3HB CYS 57 2.722 8.222 -7.371 441 H ARG 58 H ARG 58 3.980 10.506 -6.734 442 HA ARG 58 HA ARG 58 3.014 12.478 -6.765 443 HB2 ARG 58 2HB ARG 58 4.963 12.938 -8.386 444 HB3 ARG 58 3HB ARG 58 3.754 12.862 -9.675 445 HG2 ARG 58 2HG ARG 58 2.426 14.604 -8.182 446 HG3 ARG 58 3HG ARG 58 3.975 14.802 -7.351 447 HD2 ARG 58 2HD ARG 58 4.957 15.201 -9.731 448 HD3 ARG 58 3HD ARG 58 3.265 15.359 -10.245 449 HE ARG 58 HE ARG 58 4.033 16.988 -7.942 450 HH11 ARG 58 1HH1 ARG 58 4.119 20.007 -9.744 451 HH12 ARG 58 2HH1 ARG 58 4.217 19.288 -8.182 452 HH21 ARG 58 1HH2 ARG 58 3.841 18.643 -11.661 453 HH22 ARG 58 2HH2 ARG 58 3.732 16.931 -11.458 454 H VAL 59 H VAL 59 1.196 10.690 -6.755 455 HA VAL 59 HA VAL 59 -0.932 11.739 -8.510 456 HB VAL 59 HB VAL 59 -0.195 8.833 -8.003 457 HG11 VAL 59 1HG1 VAL 59 -2.783 9.960 -9.164 458 HG12 VAL 59 2HG1 VAL 59 -2.277 8.269 -9.318 459 HG13 VAL 59 3HG1 VAL 59 -2.606 8.934 -7.719 460 HG21 VAL 59 1HG2 VAL 59 -0.624 10.428 -10.569 461 HG22 VAL 59 2HG2 VAL 59 0.933 9.849 -9.944 462 HG23 VAL 59 3HG2 VAL 59 -0.273 8.686 -10.489 463 H ASP 60 H ASP 60 -2.926 11.838 -7.407 464 HA ASP 60 HA ASP 60 -2.811 11.864 -4.497 465 HB2 ASP 60 2HB ASP 60 -5.046 12.320 -6.517 466 HB3 ASP 60 3HB ASP 60 -5.245 12.443 -4.761 467 H ILE 61 H ILE 61 -3.256 10.115 -3.251 468 HA ILE 61 HA ILE 61 -3.825 7.573 -4.512 469 HB ILE 61 HB ILE 61 -3.526 8.437 -1.604 470 HG12 ILE 61 2HG1 ILE 61 -1.524 9.034 -2.660 471 HG13 ILE 61 3HG1 ILE 61 -1.185 7.512 -1.856 472 HG21 ILE 61 1HG2 ILE 61 -4.529 6.222 -1.751 473 HG22 ILE 61 2HG2 ILE 61 -3.242 5.689 -2.846 474 HG23 ILE 61 3HG2 ILE 61 -2.858 6.159 -1.154 475 HD11 ILE 61 1HD1 ILE 61 -0.207 7.423 -4.014 476 HD12 ILE 61 2HD1 ILE 61 -1.631 6.393 -4.124 477 HD13 ILE 61 3HD1 ILE 61 -1.675 8.037 -4.806 478 H GLU 62 H GLU 62 -5.598 10.028 -2.822 479 HA GLU 62 HA GLU 62 -8.112 8.544 -3.277 480 HB2 GLU 62 2HB GLU 62 -7.241 7.952 -0.973 481 HB3 GLU 62 3HB GLU 62 -7.446 9.653 -0.523 482 HG2 GLU 62 2HG GLU 62 -9.843 9.523 -0.898 483 HG3 GLU 62 3HG GLU 62 -9.690 7.890 -1.571 484 H ALA 63 H ALA 63 -6.954 11.536 -1.512 485 HA ALA 63 HA ALA 63 -7.967 13.238 -3.583 486 HB1 ALA 63 1HB ALA 63 -9.340 13.252 -0.846 487 HB2 ALA 63 2HB ALA 63 -9.598 14.444 -2.139 488 HB3 ALA 63 3HB ALA 63 -10.099 12.763 -2.378 489 H GLN 64 H GLN 64 -7.743 15.644 -2.573 490 HA GLN 64 HA GLN 64 -5.447 15.702 -0.724 491 HB2 GLN 64 2HB GLN 64 -4.869 15.957 -3.225 492 HB3 GLN 64 3HB GLN 64 -5.673 17.514 -3.176 493 HG2 GLN 64 2HG GLN 64 -3.555 16.950 -1.090 494 HG3 GLN 64 3HG GLN 64 -3.023 17.088 -2.762 495 HE21 GLN 64 1HE2 GLN 64 -1.751 19.002 -2.070 496 HE22 GLN 64 2HE2 GLN 64 -2.622 20.522 -1.901 497 H LEU 65 H LEU 65 -5.286 18.091 0.090 498 HA LEU 65 HA LEU 65 -6.141 19.708 1.341 499 HB2 LEU 65 2HB LEU 65 -7.197 20.199 -1.048 500 HB3 LEU 65 3HB LEU 65 -8.702 19.850 -0.211 501 HG LEU 65 HG LEU 65 -7.827 21.531 1.605 502 HD11 LEU 65 1HD1 LEU 65 -6.083 22.307 -0.787 503 HD12 LEU 65 2HD1 LEU 65 -6.264 23.243 0.713 504 HD13 LEU 65 3HD1 LEU 65 -5.475 21.659 0.744 505 HD21 LEU 65 1HD2 LEU 65 -8.567 22.481 -1.198 506 HD22 LEU 65 2HD2 LEU 65 -9.699 22.033 0.098 507 HD23 LEU 65 3HD2 LEU 65 -8.666 23.462 0.284 508 HA PRO 66 HA PRO 66 -8.631 16.667 3.686 509 HB2 PRO 66 2HB PRO 66 -7.180 16.666 6.012 510 HB3 PRO 66 3HB PRO 66 -6.660 15.766 4.554 511 HG2 PRO 66 2HG PRO 66 -5.775 18.527 5.451 512 HG3 PRO 66 3HG PRO 66 -4.742 17.140 4.966 513 HD2 PRO 66 2HD PRO 66 -5.409 19.134 3.232 514 HD3 PRO 66 3HD PRO 66 -5.274 17.433 2.679 515 H SER 67 H SER 67 -9.565 16.939 6.017 516 HA SER 67 HA SER 67 -10.969 19.436 6.160 517 HB2 SER 67 2HB SER 67 -11.857 17.241 6.955 518 HB3 SER 67 3HB SER 67 -10.633 17.234 8.242 519 HG SER 67 HG SER 67 -12.024 18.294 9.321 520 H GLU 68 H GLU 68 -11.006 20.657 8.253 521 HA GLU 68 HA GLU 68 -8.510 22.003 8.664 522 HB2 GLU 68 2HB GLU 68 -10.873 22.910 8.875 523 HB3 GLU 68 3HB GLU 68 -11.012 22.050 10.414 524 HG2 GLU 68 2HG GLU 68 -9.174 23.378 11.355 525 HG3 GLU 68 3HG GLU 68 -8.844 24.098 9.770 526 H SER 69 H SER 69 -10.352 19.616 10.544 527 HA SER 69 HA SER 69 -8.009 18.233 11.299 528 HB2 SER 69 2HB SER 69 -9.695 19.502 13.501 529 HB3 SER 69 3HB SER 69 -8.677 18.071 13.755 530 HG SER 69 HG SER 69 -7.539 20.323 12.539 Start of MODEL 10 1 H1 MET 1 H1 MET 1 14.858 -37.280 3.866 2 H2 MET 1 H2 MET 1 15.471 -38.699 3.284 3 H3 MET 1 H3 MET 1 15.380 -38.435 4.912 4 HA MET 1 HA MET 1 17.612 -38.224 4.177 5 HB2 MET 1 2HB MET 1 16.372 -36.289 2.239 6 HB3 MET 1 3HB MET 1 18.029 -36.001 2.814 7 HG2 MET 1 2HG MET 1 17.088 -38.654 1.680 8 HG3 MET 1 3HG MET 1 17.903 -37.411 0.728 9 HE1 MET 1 1HE MET 1 21.539 -37.445 1.844 10 HE2 MET 1 2HE MET 1 20.373 -37.068 0.558 11 HE3 MET 1 3HE MET 1 20.266 -36.240 2.130 12 H LYS 2 H LYS 2 16.763 -34.774 4.178 13 HA LYS 2 HA LYS 2 16.740 -34.742 7.128 14 HB2 LYS 2 2HB LYS 2 19.031 -33.778 5.421 15 HB3 LYS 2 3HB LYS 2 18.563 -32.786 6.796 16 HG2 LYS 2 2HG LYS 2 19.431 -34.202 8.324 17 HG3 LYS 2 3HG LYS 2 18.707 -35.608 7.577 18 HD2 LYS 2 2HD LYS 2 20.909 -36.151 7.291 19 HD3 LYS 2 3HD LYS 2 20.611 -35.327 5.768 20 HE2 LYS 2 2HE LYS 2 22.555 -34.257 6.412 21 HE3 LYS 2 3HE LYS 2 21.369 -33.170 7.150 22 HZ1 LYS 2 1HZ LYS 2 22.830 -35.358 8.501 23 HZ2 LYS 2 2HZ LYS 2 23.090 -33.750 8.708 24 HZ3 LYS 2 3HZ LYS 2 21.682 -34.428 9.224 25 H GLN 3 H GLN 3 16.901 -32.641 4.162 26 HA GLN 3 HA GLN 3 14.560 -31.136 5.192 27 HB2 GLN 3 2HB GLN 3 17.242 -30.173 4.145 28 HB3 GLN 3 3HB GLN 3 15.800 -29.158 4.016 29 HG2 GLN 3 2HG GLN 3 15.582 -28.842 6.292 30 HG3 GLN 3 3HG GLN 3 16.384 -30.353 6.714 31 HE21 GLN 3 1HE2 GLN 3 17.016 -28.026 8.090 32 HE22 GLN 3 2HE2 GLN 3 18.663 -27.587 7.658 33 H ASP 4 H ASP 4 13.161 -30.459 3.480 34 HA ASP 4 HA ASP 4 13.848 -30.886 0.728 35 HB2 ASP 4 2HB ASP 4 13.266 -33.220 1.317 36 HB3 ASP 4 3HB ASP 4 11.733 -32.677 2.017 37 H GLY 5 H GLY 5 13.218 -28.794 0.367 38 HA2 GLY 5 2HA GLY 5 11.456 -27.302 -0.273 39 HA3 GLY 5 3HA GLY 5 10.372 -28.106 0.876 40 H GLU 6 H GLU 6 11.996 -25.240 0.398 41 HA GLU 6 HA GLU 6 11.506 -24.474 3.131 42 HB2 GLU 6 2HB GLU 6 14.191 -25.219 2.446 43 HB3 GLU 6 3HB GLU 6 14.166 -23.454 2.535 44 HG2 GLU 6 2HG GLU 6 13.168 -23.532 4.767 45 HG3 GLU 6 3HG GLU 6 13.031 -25.290 4.686 46 H GLU 7 H GLU 7 9.951 -23.067 2.299 47 HA GLU 7 HA GLU 7 8.937 -21.606 1.050 48 HB2 GLU 7 2HB GLU 7 11.336 -20.358 2.025 49 HB3 GLU 7 3HB GLU 7 11.061 -19.737 0.408 50 HG2 GLU 7 2HG GLU 7 9.878 -18.323 1.947 51 HG3 GLU 7 3HG GLU 7 8.663 -19.259 1.068 52 H GLY 8 H GLY 8 9.644 -19.987 -1.042 53 HA2 GLY 8 2HA GLY 8 10.084 -21.939 -3.275 54 HA3 GLY 8 3HA GLY 8 9.017 -20.522 -3.375 55 H THR 9 H THR 9 10.093 -19.208 -4.912 56 HA THR 9 HA THR 9 12.462 -17.905 -3.970 57 HB THR 9 HB THR 9 13.518 -19.881 -4.975 58 HG1 THR 9 1HG THR 9 13.964 -17.895 -6.878 59 HG21 THR 9 1HG2 THR 9 12.113 -19.041 -7.549 60 HG22 THR 9 2HG2 THR 9 13.351 -20.309 -7.398 61 HG23 THR 9 3HG2 THR 9 11.779 -20.508 -6.600 62 H GLU 10 H GLU 10 13.042 -16.200 -5.566 63 HA GLU 10 HA GLU 10 12.679 -14.560 -7.026 64 HB2 GLU 10 2HB GLU 10 11.490 -16.349 -8.471 65 HB3 GLU 10 3HB GLU 10 9.979 -15.661 -7.863 66 HG2 GLU 10 2HG GLU 10 10.414 -14.597 -9.937 67 HG3 GLU 10 3HG GLU 10 10.785 -13.396 -8.696 68 H GLU 11 H GLU 11 12.466 -12.735 -5.790 69 HA GLU 11 HA GLU 11 9.780 -11.974 -4.891 70 HB2 GLU 11 2HB GLU 11 12.096 -12.577 -3.008 71 HB3 GLU 11 3HB GLU 11 10.968 -11.268 -2.673 72 HG2 GLU 11 2HG GLU 11 9.073 -12.949 -2.843 73 HG3 GLU 11 3HG GLU 11 10.317 -14.221 -2.833 74 H ASP 12 H ASP 12 9.662 -9.894 -5.724 75 HA ASP 12 HA ASP 12 11.388 -7.989 -4.534 76 HB2 ASP 12 2HB ASP 12 12.773 -8.585 -6.592 77 HB3 ASP 12 3HB ASP 12 11.438 -7.978 -7.583 78 H THR 13 H THR 13 10.080 -6.239 -4.243 79 HA THR 13 HA THR 13 7.886 -5.454 -3.794 80 HB THR 13 HB THR 13 8.545 -4.642 -6.646 81 HG1 THR 13 1HG THR 13 10.412 -4.490 -5.449 82 HG21 THR 13 1HG2 THR 13 7.379 -3.088 -4.282 83 HG22 THR 13 2HG2 THR 13 7.756 -2.427 -5.886 84 HG23 THR 13 3HG2 THR 13 6.453 -3.609 -5.708 85 H GLU 14 H GLU 14 7.100 -7.991 -4.088 86 HA GLU 14 HA GLU 14 5.226 -8.087 -6.366 87 HB2 GLU 14 2HB GLU 14 6.932 -9.930 -5.834 88 HB3 GLU 14 3HB GLU 14 5.872 -10.391 -4.502 89 HG2 GLU 14 2HG GLU 14 3.964 -10.522 -6.176 90 HG3 GLU 14 3HG GLU 14 5.127 -10.165 -7.459 91 H GLU 15 H GLU 15 4.854 -9.486 -3.056 92 HA GLU 15 HA GLU 15 2.392 -7.852 -2.680 93 HB2 GLU 15 2HB GLU 15 2.653 -10.873 -2.614 94 HB3 GLU 15 3HB GLU 15 1.422 -10.040 -1.668 95 HG2 GLU 15 2HG GLU 15 1.358 -8.995 -4.371 96 HG3 GLU 15 3HG GLU 15 1.320 -10.752 -4.432 97 H LYS 16 H LYS 16 4.211 -6.722 -1.504 98 HA LYS 16 HA LYS 16 4.451 -7.861 1.237 99 HB2 LYS 16 2HB LYS 16 6.718 -6.506 -0.293 100 HB3 LYS 16 3HB LYS 16 6.767 -7.173 1.353 101 HG2 LYS 16 2HG LYS 16 5.999 -9.390 0.268 102 HG3 LYS 16 3HG LYS 16 6.446 -8.686 -1.279 103 HD2 LYS 16 2HD LYS 16 8.408 -8.907 1.042 104 HD3 LYS 16 3HD LYS 16 8.101 -10.226 -0.101 105 HE2 LYS 16 2HE LYS 16 8.677 -8.660 -1.966 106 HE3 LYS 16 3HE LYS 16 9.155 -7.460 -0.754 107 HZ1 LYS 16 1HZ LYS 16 11.059 -8.818 -1.507 108 HZ2 LYS 16 2HZ LYS 16 10.738 -9.174 0.082 109 HZ3 LYS 16 3HZ LYS 16 10.264 -10.188 -1.075 110 H CYS 17 H CYS 17 3.696 -6.500 2.731 111 HA CYS 17 HA CYS 17 2.857 -3.724 2.188 112 HB2 CYS 17 2HB CYS 17 1.683 -5.259 3.754 113 HB3 CYS 17 3HB CYS 17 3.146 -5.344 4.748 114 H THR 18 H THR 18 4.442 -2.208 1.870 115 HA THR 18 HA THR 18 6.974 -2.431 3.383 116 HB THR 18 HB THR 18 7.573 -0.539 1.799 117 HG1 THR 18 1HG THR 18 6.091 -0.185 0.132 118 HG21 THR 18 1HG2 THR 18 8.132 -2.933 1.259 119 HG22 THR 18 2HG2 THR 18 6.562 -3.113 0.466 120 HG23 THR 18 3HG2 THR 18 7.760 -1.993 -0.195 121 H ILE 19 H ILE 19 4.178 -1.728 4.474 122 HA ILE 19 HA ILE 19 4.744 0.955 5.569 123 HB ILE 19 HB ILE 19 2.231 -0.687 5.846 124 HG12 ILE 19 2HG1 ILE 19 3.198 1.075 3.612 125 HG13 ILE 19 3HG1 ILE 19 2.208 -0.411 3.579 126 HG21 ILE 19 1HG2 ILE 19 2.941 2.214 6.245 127 HG22 ILE 19 2HG2 ILE 19 1.333 1.544 6.526 128 HG23 ILE 19 3HG2 ILE 19 2.677 1.061 7.559 129 HD11 ILE 19 1HD1 ILE 19 0.898 1.423 2.913 130 HD12 ILE 19 2HD1 ILE 19 0.344 0.806 4.491 131 HD13 ILE 19 3HD1 ILE 19 1.296 2.325 4.400 132 H CYS 20 H CYS 20 3.239 -2.050 6.906 133 HA CYS 20 HA CYS 20 4.807 -1.755 9.439 134 HB2 CYS 20 2HB CYS 20 3.242 -3.235 10.362 135 HB3 CYS 20 3HB CYS 20 2.362 -1.941 9.565 136 H LEU 21 H LEU 21 6.003 -2.589 6.830 137 HA LEU 21 HA LEU 21 7.464 -4.138 6.012 138 HB2 LEU 21 2HB LEU 21 8.156 -4.002 8.966 139 HB3 LEU 21 3HB LEU 21 9.260 -4.547 7.704 140 HG LEU 21 HG LEU 21 8.009 -1.761 7.703 141 HD11 LEU 21 1HD1 LEU 21 9.308 -2.045 9.759 142 HD12 LEU 21 2HD1 LEU 21 10.697 -2.644 8.825 143 HD13 LEU 21 3HD1 LEU 21 10.142 -0.962 8.634 144 HD21 LEU 21 1HD2 LEU 21 10.458 -2.920 6.298 145 HD22 LEU 21 2HD2 LEU 21 8.906 -2.532 5.521 146 HD23 LEU 21 3HD2 LEU 21 9.897 -1.238 6.204 147 H SER 22 H SER 22 5.471 -5.687 5.733 148 HA SER 22 HA SER 22 6.384 -8.296 6.712 149 HB2 SER 22 2HB SER 22 3.744 -8.627 7.264 150 HB3 SER 22 3HB SER 22 4.959 -8.231 8.488 151 HG SER 22 HG SER 22 4.359 -6.119 8.425 152 H ILE 23 H ILE 23 5.686 -10.012 5.411 153 HA ILE 23 HA ILE 23 4.639 -9.214 2.796 154 HB ILE 23 HB ILE 23 5.634 -11.861 3.965 155 HG12 ILE 23 2HG1 ILE 23 7.410 -11.216 2.063 156 HG13 ILE 23 3HG1 ILE 23 6.853 -9.581 2.418 157 HG21 ILE 23 1HG2 ILE 23 4.077 -12.266 2.103 158 HG22 ILE 23 2HG2 ILE 23 4.955 -11.121 1.085 159 HG23 ILE 23 3HG2 ILE 23 5.722 -12.634 1.622 160 HD11 ILE 23 1HD1 ILE 23 8.100 -11.497 4.419 161 HD12 ILE 23 2HD1 ILE 23 8.944 -10.202 3.533 162 HD13 ILE 23 3HD1 ILE 23 7.698 -9.783 4.712 163 H LEU 24 H LEU 24 2.841 -10.407 1.880 164 HA LEU 24 HA LEU 24 0.640 -10.437 3.863 165 HB2 LEU 24 2HB LEU 24 0.651 -10.225 0.819 166 HB3 LEU 24 3HB LEU 24 -0.777 -10.100 1.842 167 HG LEU 24 HG LEU 24 1.622 -8.242 2.220 168 HD11 LEU 24 1HD1 LEU 24 -0.598 -7.974 0.185 169 HD12 LEU 24 2HD1 LEU 24 0.621 -6.734 0.583 170 HD13 LEU 24 3HD1 LEU 24 1.093 -8.275 -0.130 171 HD21 LEU 24 1HD2 LEU 24 -1.356 -8.020 2.806 172 HD22 LEU 24 2HD2 LEU 24 -0.034 -8.195 3.979 173 HD23 LEU 24 3HD2 LEU 24 -0.165 -6.713 3.016 174 H GLU 25 H GLU 25 1.004 -12.129 0.767 175 HA GLU 25 HA GLU 25 1.293 -14.240 0.174 176 HB2 GLU 25 2HB GLU 25 0.967 -15.199 3.030 177 HB3 GLU 25 3HB GLU 25 1.532 -16.092 1.616 178 HG2 GLU 25 2HG GLU 25 3.423 -14.367 1.446 179 HG3 GLU 25 3HG GLU 25 2.938 -13.825 3.069 180 H GLU 26 H GLU 26 -0.287 -15.393 -0.821 181 HA GLU 26 HA GLU 26 -2.320 -15.927 -1.484 182 HB2 GLU 26 2HB GLU 26 -2.184 -16.929 1.077 183 HB3 GLU 26 3HB GLU 26 -3.600 -15.894 1.209 184 HG2 GLU 26 2HG GLU 26 -4.432 -18.018 0.632 185 HG3 GLU 26 3HG GLU 26 -4.500 -17.120 -0.883 186 H GLY 27 H GLY 27 -4.908 -15.276 -0.974 187 HA2 GLY 27 2HA GLY 27 -4.878 -12.425 -1.716 188 HA3 GLY 27 3HA GLY 27 -6.245 -13.552 -1.811 189 H GLU 28 H GLU 28 -4.024 -12.484 0.777 190 HA GLU 28 HA GLU 28 -6.099 -12.384 2.796 191 HB2 GLU 28 2HB GLU 28 -3.239 -11.355 2.613 192 HB3 GLU 28 3HB GLU 28 -4.206 -11.114 4.066 193 HG2 GLU 28 2HG GLU 28 -3.754 -13.866 2.862 194 HG3 GLU 28 3HG GLU 28 -2.717 -13.153 4.114 195 H ASP 29 H ASP 29 -6.026 -10.115 4.163 196 HA ASP 29 HA ASP 29 -7.628 -8.342 2.632 197 HB2 ASP 29 2HB ASP 29 -6.385 -8.235 5.392 198 HB3 ASP 29 3HB ASP 29 -7.228 -6.833 4.731 199 H VAL 30 H VAL 30 -6.380 -7.751 0.809 200 HA VAL 30 HA VAL 30 -4.203 -5.791 1.347 201 HB VAL 30 HB VAL 30 -3.483 -6.236 -0.946 202 HG11 VAL 30 1HG1 VAL 30 -2.635 -8.495 -0.558 203 HG12 VAL 30 2HG1 VAL 30 -2.619 -7.541 0.955 204 HG13 VAL 30 3HG1 VAL 30 -3.853 -8.782 0.689 205 HG21 VAL 30 1HG2 VAL 30 -5.638 -8.397 -1.054 206 HG22 VAL 30 2HG2 VAL 30 -5.650 -6.886 -1.994 207 HG23 VAL 30 3HG2 VAL 30 -4.378 -8.093 -2.256 208 H ARG 31 H ARG 31 -4.057 -3.890 -0.148 209 HA ARG 31 HA ARG 31 -6.489 -3.362 -1.661 210 HB2 ARG 31 2HB ARG 31 -6.475 -2.178 0.755 211 HB3 ARG 31 3HB ARG 31 -5.387 -1.050 -0.063 212 HG2 ARG 31 2HG ARG 31 -7.273 -1.042 -1.924 213 HG3 ARG 31 3HG ARG 31 -8.284 -1.730 -0.645 214 HD2 ARG 31 2HD ARG 31 -7.586 0.234 0.818 215 HD3 ARG 31 3HD ARG 31 -6.821 0.954 -0.602 216 HE ARG 31 HE ARG 31 -9.576 0.952 0.113 217 HH11 ARG 31 1HH1 ARG 31 -10.836 2.090 -2.966 218 HH12 ARG 31 2HH1 ARG 31 -11.178 1.838 -1.295 219 HH21 ARG 31 1HH2 ARG 31 -8.727 1.485 -3.843 220 HH22 ARG 31 2HH2 ARG 31 -7.527 0.830 -2.817 221 H ARG 32 H ARG 32 -5.994 -2.096 -3.483 222 HA ARG 32 HA ARG 32 -3.182 -1.177 -3.827 223 HB2 ARG 32 2HB ARG 32 -3.896 -2.758 -5.590 224 HB3 ARG 32 3HB ARG 32 -5.354 -1.792 -5.870 225 HG2 ARG 32 2HG ARG 32 -3.201 0.010 -6.160 226 HG3 ARG 32 3HG ARG 32 -2.659 -1.453 -6.948 227 HD2 ARG 32 2HD ARG 32 -5.476 -0.462 -7.493 228 HD3 ARG 32 3HD ARG 32 -4.137 0.375 -8.245 229 HE ARG 32 HE ARG 32 -3.573 -2.245 -8.795 230 HH11 ARG 32 1HH1 ARG 32 -5.426 -2.611 -11.762 231 HH12 ARG 32 2HH1 ARG 32 -4.031 -3.126 -10.894 232 HH21 ARG 32 1HH2 ARG 32 -6.838 -0.941 -10.851 233 HH22 ARG 32 2HH2 ARG 32 -6.446 -0.261 -9.312 234 H LEU 33 H LEU 33 -2.990 1.026 -3.769 235 HA LEU 33 HA LEU 33 -5.318 2.721 -3.373 236 HB2 LEU 33 2HB LEU 33 -3.364 4.443 -4.075 237 HB3 LEU 33 3HB LEU 33 -3.615 3.811 -2.436 238 HG LEU 33 HG LEU 33 -1.704 2.402 -4.278 239 HD11 LEU 33 1HD1 LEU 33 -1.121 4.985 -2.800 240 HD12 LEU 33 2HD1 LEU 33 0.105 3.895 -3.453 241 HD13 LEU 33 3HD1 LEU 33 -1.037 4.688 -4.554 242 HD21 LEU 33 1HD2 LEU 33 -0.564 1.960 -2.134 243 HD22 LEU 33 2HD2 LEU 33 -1.639 3.085 -1.280 244 HD23 LEU 33 3HD2 LEU 33 -2.268 1.553 -1.907 245 HA PRO 34 HA PRO 34 -6.406 3.532 -7.552 246 HB2 PRO 34 2HB PRO 34 -6.654 6.271 -7.762 247 HB3 PRO 34 3HB PRO 34 -7.812 5.225 -6.882 248 HG2 PRO 34 2HG PRO 34 -5.459 6.764 -5.735 249 HG3 PRO 34 3HG PRO 34 -7.157 6.765 -5.156 250 HD2 PRO 34 2HD PRO 34 -5.345 5.187 -3.975 251 HD3 PRO 34 3HD PRO 34 -6.961 4.530 -4.337 252 H CYS 35 H CYS 35 -3.354 4.511 -6.383 253 HA CYS 35 HA CYS 35 -2.264 4.840 -9.170 254 HB2 CYS 35 2HB CYS 35 -2.069 7.006 -8.228 255 HB3 CYS 35 3HB CYS 35 -1.513 6.363 -6.666 256 H MET 36 H MET 36 -2.979 2.514 -8.221 257 HA MET 36 HA MET 36 -2.058 0.481 -8.286 258 HB2 MET 36 2HB MET 36 -0.818 2.220 -10.425 259 HB3 MET 36 3HB MET 36 -0.650 0.449 -10.437 260 HG2 MET 36 2HG MET 36 -3.024 0.120 -10.396 261 HG3 MET 36 3HG MET 36 -3.339 1.845 -10.220 262 HE1 MET 36 1HE MET 36 -3.153 3.403 -13.499 263 HE2 MET 36 2HE MET 36 -2.892 3.558 -11.748 264 HE3 MET 36 3HE MET 36 -1.513 3.243 -12.830 265 H HIS 37 H HIS 37 -1.063 1.048 -6.108 266 HA HIS 37 HA HIS 37 1.496 -0.369 -6.203 267 HB2 HIS 37 1HB HIS 37 0.983 2.314 -4.836 268 HB3 HIS 37 2HB HIS 37 2.280 1.224 -4.344 269 HD2 HIS 37 2HD HIS 37 4.007 0.464 -6.438 270 HE1 HIS 37 1HE HIS 37 3.658 4.157 -8.533 271 HE2 HIS 37 2HE HIS 37 5.017 2.001 -8.301 272 H LEU 38 H LEU 38 0.934 -2.226 -5.019 273 HA LEU 38 HA LEU 38 -1.437 -2.066 -3.238 274 HB2 LEU 38 2HB LEU 38 -1.719 -4.340 -3.503 275 HB3 LEU 38 3HB LEU 38 -1.154 -3.847 -5.090 276 HG LEU 38 HG LEU 38 1.228 -4.422 -4.140 277 HD11 LEU 38 1HD1 LEU 38 -0.375 -5.157 -1.868 278 HD12 LEU 38 2HD1 LEU 38 0.235 -6.643 -2.575 279 HD13 LEU 38 3HD1 LEU 38 1.377 -5.380 -2.101 280 HD21 LEU 38 1HD2 LEU 38 -0.788 -6.607 -4.785 281 HD22 LEU 38 2HD2 LEU 38 0.108 -5.618 -5.974 282 HD23 LEU 38 3HD2 LEU 38 0.974 -6.734 -4.914 283 H PHE 39 H PHE 39 -1.271 -2.698 -1.107 284 HA PHE 39 HA PHE 39 1.429 -3.278 -0.043 285 HB2 PHE 39 2HB PHE 39 -0.131 -0.856 0.908 286 HB3 PHE 39 3HB PHE 39 1.283 -1.515 1.717 287 HD1 PHE 39 1HD PHE 39 0.401 1.222 -0.024 288 HD2 PHE 39 2HD PHE 39 3.263 -1.990 -0.349 289 HE1 PHE 39 1HE PHE 39 1.867 2.658 -1.417 290 HE2 PHE 39 2HE PHE 39 4.683 -0.580 -1.781 291 HZ PHE 39 HZ PHE 39 4.007 1.759 -2.311 292 H HIS 40 H HIS 40 -1.837 -2.377 1.283 293 HA HIS 40 HA HIS 40 -2.202 -4.958 2.496 294 HB2 HIS 40 1HB HIS 40 -0.415 -3.434 3.901 295 HB3 HIS 40 2HB HIS 40 -1.889 -2.790 4.573 296 HD2 HIS 40 2HD HIS 40 -3.187 -6.025 4.467 297 HE1 HIS 40 1HE HIS 40 -0.467 -6.488 7.682 298 HE2 HIS 40 2HE HIS 40 -2.550 -7.447 6.530 299 H GLN 41 H GLN 41 -4.403 -4.587 4.033 300 HA GLN 41 HA GLN 41 -5.928 -2.307 2.882 301 HB2 GLN 41 2HB GLN 41 -6.632 -4.784 2.747 302 HB3 GLN 41 3HB GLN 41 -7.007 -4.622 4.469 303 HG2 GLN 41 2HG GLN 41 -8.523 -2.642 3.746 304 HG3 GLN 41 3HG GLN 41 -8.283 -3.220 2.088 305 HE21 GLN 41 1HE2 GLN 41 -8.410 -5.935 2.195 306 HE22 GLN 41 2HE2 GLN 41 -9.713 -6.541 3.206 307 H VAL 42 H VAL 42 -4.276 -3.227 5.752 308 HA VAL 42 HA VAL 42 -5.955 -1.407 7.419 309 HB VAL 42 HB VAL 42 -4.038 -3.667 8.140 310 HG11 VAL 42 1HG1 VAL 42 -4.855 -3.338 10.472 311 HG12 VAL 42 2HG1 VAL 42 -3.931 -1.946 9.892 312 HG13 VAL 42 3HG1 VAL 42 -5.707 -1.866 9.954 313 HG21 VAL 42 1HG2 VAL 42 -6.229 -4.427 7.239 314 HG22 VAL 42 2HG2 VAL 42 -6.088 -4.782 8.965 315 HG23 VAL 42 3HG2 VAL 42 -7.067 -3.403 8.422 316 H CYS 43 H CYS 43 -2.426 -2.292 6.989 317 HA CYS 43 HA CYS 43 -1.405 -0.012 8.308 318 HB2 CYS 43 2HB CYS 43 -0.211 -1.384 5.888 319 HB3 CYS 43 3HB CYS 43 0.592 -0.439 7.166 320 H VAL 44 H VAL 44 -2.390 -0.369 4.863 321 HA VAL 44 HA VAL 44 -1.482 2.095 3.942 322 HB VAL 44 HB VAL 44 -3.415 2.058 2.341 323 HG11 VAL 44 1HG1 VAL 44 -1.852 -0.529 2.687 324 HG12 VAL 44 2HG1 VAL 44 -2.639 0.028 1.192 325 HG13 VAL 44 3HG1 VAL 44 -1.292 0.954 1.876 326 HG21 VAL 44 1HG2 VAL 44 -4.817 0.018 2.232 327 HG22 VAL 44 2HG2 VAL 44 -4.196 -0.505 3.807 328 HG23 VAL 44 3HG2 VAL 44 -5.181 0.967 3.661 329 H ASP 45 H ASP 45 -4.496 1.331 5.731 330 HA ASP 45 HA ASP 45 -5.314 4.122 5.963 331 HB2 ASP 45 2HB ASP 45 -6.414 1.412 6.783 332 HB3 ASP 45 3HB ASP 45 -7.108 2.891 7.421 333 H GLN 46 H GLN 46 -2.701 3.508 6.996 334 HA GLN 46 HA GLN 46 -3.094 4.490 9.738 335 HB2 GLN 46 2HB GLN 46 -2.530 1.892 9.532 336 HB3 GLN 46 3HB GLN 46 -0.888 2.482 9.243 337 HG2 GLN 46 2HG GLN 46 -1.149 3.866 11.379 338 HG3 GLN 46 3HG GLN 46 -2.666 2.996 11.661 339 HE21 GLN 46 1HE2 GLN 46 -2.564 0.754 12.357 340 HE22 GLN 46 2HE2 GLN 46 -1.009 0.032 12.754 341 H ARG 47 H ARG 47 -0.490 3.616 7.363 342 HA ARG 47 HA ARG 47 1.030 5.975 8.013 343 HB2 ARG 47 2HB ARG 47 2.038 3.934 7.235 344 HB3 ARG 47 3HB ARG 47 1.287 4.128 5.639 345 HG2 ARG 47 2HG ARG 47 2.631 6.176 5.254 346 HG3 ARG 47 3HG ARG 47 3.283 6.063 6.907 347 HD2 ARG 47 2HD ARG 47 4.206 3.811 6.345 348 HD3 ARG 47 3HD ARG 47 3.668 4.035 4.658 349 HE ARG 47 HE ARG 47 5.343 6.189 5.504 350 HH11 ARG 47 1HH1 ARG 47 8.447 4.659 4.752 351 HH12 ARG 47 2HH1 ARG 47 7.675 6.118 5.257 352 HH21 ARG 47 1HH2 ARG 47 7.148 2.653 4.421 353 HH22 ARG 47 2HH2 ARG 47 5.460 2.768 4.574 354 H LEU 48 H LEU 48 -1.414 5.264 5.460 355 HA LEU 48 HA LEU 48 -0.943 7.964 4.311 356 HB2 LEU 48 2HB LEU 48 -2.745 5.703 3.354 357 HB3 LEU 48 3HB LEU 48 -2.523 7.244 2.572 358 HG LEU 48 HG LEU 48 -1.336 5.473 1.427 359 HD11 LEU 48 1HD1 LEU 48 -0.476 7.758 1.263 360 HD12 LEU 48 2HD1 LEU 48 0.554 7.495 2.691 361 HD13 LEU 48 3HD1 LEU 48 0.848 6.578 1.197 362 HD21 LEU 48 1HD2 LEU 48 -0.718 4.137 3.514 363 HD22 LEU 48 2HD2 LEU 48 0.503 4.259 2.237 364 HD23 LEU 48 3HD2 LEU 48 0.655 5.257 3.688 365 H ILE 49 H ILE 49 -1.753 8.127 6.861 366 HA ILE 49 HA ILE 49 -4.651 8.824 6.695 367 HB ILE 49 HB ILE 49 -2.800 8.316 9.051 368 HG12 ILE 49 2HG1 ILE 49 -3.837 6.335 7.975 369 HG13 ILE 49 3HG1 ILE 49 -4.335 6.568 9.649 370 HG21 ILE 49 1HG2 ILE 49 -4.799 8.817 10.504 371 HG22 ILE 49 2HG2 ILE 49 -4.050 10.229 9.756 372 HG23 ILE 49 3HG2 ILE 49 -5.561 9.582 9.089 373 HD11 ILE 49 1HD1 ILE 49 -6.503 7.532 8.851 374 HD12 ILE 49 2HD1 ILE 49 -5.996 7.213 7.172 375 HD13 ILE 49 3HD1 ILE 49 -6.238 5.878 8.301 376 H THR 50 H THR 50 -1.598 10.078 8.170 377 HA THR 50 HA THR 50 -2.530 12.809 7.801 378 HB THR 50 HB THR 50 -1.202 12.058 9.742 379 HG1 THR 50 1HG THR 50 -0.094 14.072 8.108 380 HG21 THR 50 1HG2 THR 50 1.129 11.843 7.786 381 HG22 THR 50 2HG2 THR 50 1.234 11.784 9.554 382 HG23 THR 50 3HG2 THR 50 0.383 10.500 8.683 383 H ASN 51 H ASN 51 -1.852 10.876 5.329 384 HA ASN 51 HA ASN 51 -0.740 13.007 3.727 385 HB2 ASN 51 2HB ASN 51 1.363 11.953 4.515 386 HB3 ASN 51 3HB ASN 51 0.753 10.356 4.022 387 HD21 ASN 51 1HD2 ASN 51 1.890 9.776 2.133 388 HD22 ASN 51 2HD2 ASN 51 2.047 10.823 0.747 389 H LYS 52 H LYS 52 -1.214 12.568 1.442 390 HA LYS 52 HA LYS 52 -2.676 10.086 0.849 391 HB2 LYS 52 2HB LYS 52 -4.662 11.303 0.064 392 HB3 LYS 52 3HB LYS 52 -4.455 11.388 1.804 393 HG2 LYS 52 2HG LYS 52 -4.437 13.629 1.790 394 HG3 LYS 52 3HG LYS 52 -3.162 13.707 0.566 395 HD2 LYS 52 2HD LYS 52 -4.766 13.518 -1.235 396 HD3 LYS 52 3HD LYS 52 -6.070 13.158 -0.107 397 HE2 LYS 52 2HE LYS 52 -6.561 15.286 0.162 398 HE3 LYS 52 3HE LYS 52 -4.925 15.616 0.761 399 HZ1 LYS 52 1HZ LYS 52 -5.377 16.959 -1.193 400 HZ2 LYS 52 2HZ LYS 52 -4.250 15.809 -1.616 401 HZ3 LYS 52 3HZ LYS 52 -5.729 15.608 -2.086 402 H LYS 53 H LYS 53 -0.306 10.526 -0.218 403 HA LYS 53 HA LYS 53 -0.899 11.104 -2.996 404 HB2 LYS 53 2HB LYS 53 1.137 12.565 -3.281 405 HB3 LYS 53 3HB LYS 53 -0.287 13.330 -2.574 406 HG2 LYS 53 2HG LYS 53 0.610 13.379 -0.422 407 HG3 LYS 53 3HG LYS 53 1.881 12.195 -0.778 408 HD2 LYS 53 2HD LYS 53 1.794 14.958 -2.026 409 HD3 LYS 53 3HD LYS 53 2.654 14.551 -0.525 410 HE2 LYS 53 2HE LYS 53 3.815 12.679 -1.840 411 HE3 LYS 53 3HE LYS 53 3.172 13.419 -3.309 412 HZ1 LYS 53 1HZ LYS 53 4.332 15.457 -2.683 413 HZ2 LYS 53 2HZ LYS 53 4.931 14.734 -1.331 414 HZ3 LYS 53 3HZ LYS 53 5.387 14.199 -2.818 415 H CYS 54 H CYS 54 0.618 9.954 -4.288 416 HA CYS 54 HA CYS 54 2.600 8.009 -3.060 417 HB2 CYS 54 2HB CYS 54 1.131 8.374 -5.598 418 HB3 CYS 54 3HB CYS 54 2.856 7.891 -5.649 419 HA PRO 55 HA PRO 55 5.935 10.777 -4.232 420 HB2 PRO 55 2HB PRO 55 7.984 9.005 -4.572 421 HB3 PRO 55 3HB PRO 55 7.293 9.397 -2.977 422 HG2 PRO 55 2HG PRO 55 6.695 6.967 -4.686 423 HG3 PRO 55 3HG PRO 55 6.996 7.060 -2.931 424 HD2 PRO 55 2HD PRO 55 4.476 6.977 -4.074 425 HD3 PRO 55 3HD PRO 55 4.824 7.755 -2.501 426 H ILE 56 H ILE 56 6.875 7.992 -6.302 427 HA ILE 56 HA ILE 56 6.865 9.842 -8.547 428 HB ILE 56 HB ILE 56 7.721 6.912 -8.523 429 HG12 ILE 56 2HG1 ILE 56 10.060 8.377 -8.512 430 HG13 ILE 56 3HG1 ILE 56 9.075 9.319 -7.397 431 HG21 ILE 56 1HG2 ILE 56 7.397 7.959 -10.776 432 HG22 ILE 56 2HG2 ILE 56 8.534 9.243 -10.321 433 HG23 ILE 56 3HG2 ILE 56 9.080 7.555 -10.455 434 HD11 ILE 56 1HD1 ILE 56 8.654 7.180 -6.091 435 HD12 ILE 56 2HD1 ILE 56 9.707 6.330 -7.236 436 HD13 ILE 56 3HD1 ILE 56 10.371 7.607 -6.200 437 H CYS 57 H CYS 57 4.432 9.817 -8.097 438 HA CYS 57 HA CYS 57 2.924 8.157 -10.150 439 HB2 CYS 57 2HB CYS 57 3.286 7.401 -7.550 440 HB3 CYS 57 3HB CYS 57 1.854 8.495 -7.468 441 H ARG 58 H ARG 58 2.762 10.634 -7.485 442 HA ARG 58 HA ARG 58 1.879 12.668 -7.323 443 HB2 ARG 58 2HB ARG 58 3.612 13.062 -9.060 444 HB3 ARG 58 3HB ARG 58 2.368 12.925 -10.310 445 HG2 ARG 58 2HG ARG 58 1.242 14.917 -9.512 446 HG3 ARG 58 3HG ARG 58 2.190 14.924 -8.009 447 HD2 ARG 58 2HD ARG 58 4.242 15.355 -9.269 448 HD3 ARG 58 3HD ARG 58 3.348 15.271 -10.803 449 HE ARG 58 HE ARG 58 2.080 17.222 -9.266 450 HH11 ARG 58 1HH1 ARG 58 4.032 19.995 -10.277 451 HH12 ARG 58 2HH1 ARG 58 2.539 19.500 -9.573 452 HH21 ARG 58 1HH2 ARG 58 5.627 18.364 -10.935 453 HH22 ARG 58 2HH2 ARG 58 5.253 16.695 -10.700 454 H VAL 59 H VAL 59 0.034 10.963 -7.056 455 HA VAL 59 HA VAL 59 -2.346 12.210 -8.255 456 HB VAL 59 HB VAL 59 -1.678 9.242 -8.071 457 HG11 VAL 59 1HG1 VAL 59 -4.013 8.830 -8.906 458 HG12 VAL 59 2HG1 VAL 59 -3.968 9.463 -7.264 459 HG13 VAL 59 3HG1 VAL 59 -4.386 10.543 -8.614 460 HG21 VAL 59 1HG2 VAL 59 -2.306 9.237 -10.480 461 HG22 VAL 59 2HG2 VAL 59 -2.552 10.997 -10.408 462 HG23 VAL 59 3HG2 VAL 59 -0.938 10.300 -10.162 463 H ASP 60 H ASP 60 -3.981 12.411 -6.643 464 HA ASP 60 HA ASP 60 -3.145 12.100 -3.895 465 HB2 ASP 60 2HB ASP 60 -5.839 12.731 -5.207 466 HB3 ASP 60 3HB ASP 60 -5.574 12.701 -3.461 467 H ILE 61 H ILE 61 -3.380 10.314 -2.688 468 HA ILE 61 HA ILE 61 -4.342 7.861 -3.883 469 HB ILE 61 HB ILE 61 -3.248 8.580 -1.129 470 HG12 ILE 61 2HG1 ILE 61 -1.566 9.147 -2.618 471 HG13 ILE 61 3HG1 ILE 61 -1.117 7.534 -2.098 472 HG21 ILE 61 1HG2 ILE 61 -3.381 5.907 -2.490 473 HG22 ILE 61 2HG2 ILE 61 -2.602 6.249 -0.920 474 HG23 ILE 61 3HG2 ILE 61 -4.364 6.385 -1.091 475 HD11 ILE 61 1HD1 ILE 61 -2.385 8.390 -4.728 476 HD12 ILE 61 2HD1 ILE 61 -0.789 7.694 -4.471 477 HD13 ILE 61 3HD1 ILE 61 -2.238 6.692 -4.241 478 H GLU 62 H GLU 62 -5.682 10.316 -1.872 479 HA GLU 62 HA GLU 62 -7.661 8.795 -0.458 480 HB2 GLU 62 2HB GLU 62 -6.946 11.080 0.141 481 HB3 GLU 62 3HB GLU 62 -7.600 11.693 -1.394 482 HG2 GLU 62 2HG GLU 62 -9.875 10.800 -0.607 483 HG3 GLU 62 3HG GLU 62 -9.122 10.502 0.962 484 H ALA 63 H ALA 63 -9.651 8.069 -1.145 485 HA ALA 63 HA ALA 63 -10.772 9.105 -3.678 486 HB1 ALA 63 1HB ALA 63 -10.408 6.141 -3.050 487 HB2 ALA 63 2HB ALA 63 -11.279 6.822 -4.444 488 HB3 ALA 63 3HB ALA 63 -9.526 7.060 -4.291 489 H GLN 64 H GLN 64 -11.665 10.156 -1.583 490 HA GLN 64 HA GLN 64 -13.280 10.452 -0.025 491 HB2 GLN 64 2HB GLN 64 -14.316 10.793 -2.262 492 HB3 GLN 64 3HB GLN 64 -14.924 9.138 -2.210 493 HG2 GLN 64 2HG GLN 64 -15.674 10.480 0.253 494 HG3 GLN 64 3HG GLN 64 -16.056 11.553 -1.089 495 HE21 GLN 64 1HE2 GLN 64 -17.665 9.607 0.854 496 HE22 GLN 64 2HE2 GLN 64 -18.763 8.862 -0.303 497 H LEU 65 H LEU 65 -12.114 8.650 1.242 498 HA LEU 65 HA LEU 65 -13.716 6.188 1.492 499 HB2 LEU 65 2HB LEU 65 -12.026 5.343 2.917 500 HB3 LEU 65 3HB LEU 65 -11.236 6.059 1.535 501 HG LEU 65 HG LEU 65 -11.472 7.954 3.818 502 HD11 LEU 65 1HD1 LEU 65 -9.801 6.809 5.221 503 HD12 LEU 65 2HD1 LEU 65 -11.302 5.875 5.120 504 HD13 LEU 65 3HD1 LEU 65 -9.882 5.378 4.173 505 HD21 LEU 65 1HD2 LEU 65 -9.098 8.273 3.355 506 HD22 LEU 65 2HD2 LEU 65 -9.088 6.869 2.271 507 HD23 LEU 65 3HD2 LEU 65 -10.020 8.326 1.844 508 HA PRO 66 HA PRO 66 -15.898 7.755 5.078 509 HB2 PRO 66 2HB PRO 66 -16.498 5.457 6.439 510 HB3 PRO 66 3HB PRO 66 -17.293 5.896 4.895 511 HG2 PRO 66 2HG PRO 66 -14.969 3.997 5.319 512 HG3 PRO 66 3HG PRO 66 -16.435 3.752 4.322 513 HD2 PRO 66 2HD PRO 66 -14.043 4.589 3.275 514 HD3 PRO 66 3HD PRO 66 -15.612 5.130 2.604 515 H SER 67 H SER 67 -14.595 8.906 6.544 516 HA SER 67 HA SER 67 -13.128 7.345 8.515 517 HB2 SER 67 2HB SER 67 -11.371 7.846 6.878 518 HB3 SER 67 3HB SER 67 -11.863 9.549 6.810 519 HG SER 67 HG SER 67 -11.074 9.870 8.831 520 H GLU 68 H GLU 68 -12.698 8.844 10.370 521 HA GLU 68 HA GLU 68 -14.773 10.887 10.679 522 HB2 GLU 68 2HB GLU 68 -13.775 9.429 12.528 523 HB3 GLU 68 3HB GLU 68 -12.307 10.412 12.411 524 HG2 GLU 68 2HG GLU 68 -13.494 12.388 13.117 525 HG3 GLU 68 3HG GLU 68 -15.066 11.642 12.797 526 H SER 69 H SER 69 -14.436 13.067 10.210 527 HA SER 69 HA SER 69 -11.793 14.016 9.357 528 HB2 SER 69 2HB SER 69 -13.046 13.177 7.307 529 HB3 SER 69 3HB SER 69 -14.338 14.333 7.707 530 HG SER 69 HG SER 69 -12.552 15.926 7.730 Start of MODEL 11 1 H1 MET 1 H1 MET 1 29.394 -31.894 -6.078 2 H2 MET 1 H2 MET 1 31.014 -31.733 -6.345 3 H3 MET 1 H3 MET 1 29.950 -31.587 -7.595 4 HA MET 1 HA MET 1 31.059 -33.673 -7.712 5 HB2 MET 1 2HB MET 1 29.983 -33.996 -4.901 6 HB3 MET 1 3HB MET 1 30.338 -35.393 -5.941 7 HG2 MET 1 2HG MET 1 32.626 -34.544 -6.323 8 HG3 MET 1 3HG MET 1 32.319 -33.209 -5.202 9 HE1 MET 1 1HE MET 1 34.606 -33.985 -3.974 10 HE2 MET 1 2HE MET 1 34.871 -35.643 -3.390 11 HE3 MET 1 3HE MET 1 34.742 -35.328 -5.134 12 H LYS 2 H LYS 2 27.878 -34.211 -5.972 13 HA LYS 2 HA LYS 2 26.763 -34.745 -8.672 14 HB2 LYS 2 2HB LYS 2 27.825 -36.740 -7.166 15 HB3 LYS 2 3HB LYS 2 26.196 -36.741 -6.497 16 HG2 LYS 2 2HG LYS 2 25.282 -36.948 -8.824 17 HG3 LYS 2 3HG LYS 2 26.943 -36.887 -9.451 18 HD2 LYS 2 2HD LYS 2 27.468 -38.945 -8.052 19 HD3 LYS 2 3HD LYS 2 25.751 -39.023 -7.635 20 HE2 LYS 2 2HE LYS 2 26.148 -40.551 -9.455 21 HE3 LYS 2 3HE LYS 2 25.192 -39.193 -10.069 22 HZ1 LYS 2 1HZ LYS 2 28.115 -39.517 -10.389 23 HZ2 LYS 2 2HZ LYS 2 26.990 -39.789 -11.558 24 HZ3 LYS 2 3HZ LYS 2 27.223 -38.267 -10.985 25 H GLN 3 H GLN 3 25.982 -32.504 -7.959 26 HA GLN 3 HA GLN 3 23.292 -32.744 -6.950 27 HB2 GLN 3 2HB GLN 3 24.877 -32.518 -4.908 28 HB3 GLN 3 3HB GLN 3 25.209 -30.877 -5.475 29 HG2 GLN 3 2HG GLN 3 22.845 -30.275 -5.209 30 HG3 GLN 3 3HG GLN 3 22.424 -31.964 -4.853 31 HE21 GLN 3 1HE2 GLN 3 21.742 -29.825 -3.065 32 HE22 GLN 3 2HE2 GLN 3 22.720 -30.066 -1.627 33 H ASP 4 H ASP 4 22.264 -30.483 -7.201 34 HA ASP 4 HA ASP 4 23.657 -28.855 -9.272 35 HB2 ASP 4 2HB ASP 4 21.843 -30.262 -10.205 36 HB3 ASP 4 3HB ASP 4 20.689 -29.521 -9.103 37 H GLY 5 H GLY 5 20.542 -28.048 -7.818 38 HA2 GLY 5 2HA GLY 5 21.427 -26.897 -5.407 39 HA3 GLY 5 3HA GLY 5 21.430 -25.639 -6.666 40 H GLU 6 H GLU 6 19.647 -24.730 -5.194 41 HA GLU 6 HA GLU 6 17.206 -25.296 -6.579 42 HB2 GLU 6 2HB GLU 6 15.792 -25.300 -4.559 43 HB3 GLU 6 3HB GLU 6 16.790 -26.751 -4.670 44 HG2 GLU 6 2HG GLU 6 18.296 -25.955 -2.954 45 HG3 GLU 6 3HG GLU 6 17.583 -24.337 -2.984 46 H GLU 7 H GLU 7 15.652 -23.394 -6.070 47 HA GLU 7 HA GLU 7 16.876 -21.040 -4.934 48 HB2 GLU 7 2HB GLU 7 17.020 -21.537 -7.828 49 HB3 GLU 7 3HB GLU 7 16.045 -20.106 -7.489 50 HG2 GLU 7 2HG GLU 7 17.830 -19.167 -6.086 51 HG3 GLU 7 3HG GLU 7 18.836 -20.592 -6.363 52 H GLY 8 H GLY 8 15.146 -19.152 -5.494 53 HA2 GLY 8 2HA GLY 8 12.566 -20.269 -4.576 54 HA3 GLY 8 3HA GLY 8 13.073 -18.570 -4.532 55 H THR 9 H THR 9 11.350 -17.594 -5.708 56 HA THR 9 HA THR 9 11.307 -18.075 -8.531 57 HB THR 9 HB THR 9 9.907 -19.936 -7.729 58 HG1 THR 9 1HG THR 9 9.304 -19.183 -9.655 59 HG21 THR 9 1HG2 THR 9 9.061 -18.992 -5.634 60 HG22 THR 9 2HG2 THR 9 8.106 -17.793 -6.532 61 HG23 THR 9 3HG2 THR 9 7.734 -19.522 -6.682 62 H GLU 10 H GLU 10 8.584 -16.764 -8.563 63 HA GLU 10 HA GLU 10 9.394 -14.137 -8.872 64 HB2 GLU 10 2HB GLU 10 7.247 -15.570 -9.561 65 HB3 GLU 10 3HB GLU 10 6.558 -14.885 -8.099 66 HG2 GLU 10 2HG GLU 10 5.903 -13.435 -9.859 67 HG3 GLU 10 3HG GLU 10 7.224 -12.576 -9.051 68 H GLU 11 H GLU 11 9.986 -12.555 -7.339 69 HA GLU 11 HA GLU 11 8.323 -12.297 -4.950 70 HB2 GLU 11 2HB GLU 11 10.122 -14.091 -4.434 71 HB3 GLU 11 3HB GLU 11 11.290 -12.771 -4.494 72 HG2 GLU 11 2HG GLU 11 9.220 -11.738 -2.891 73 HG3 GLU 11 3HG GLU 11 9.208 -13.440 -2.467 74 H ASP 12 H ASP 12 8.333 -10.308 -6.786 75 HA ASP 12 HA ASP 12 9.984 -8.230 -5.490 76 HB2 ASP 12 2HB ASP 12 11.254 -8.888 -7.512 77 HB3 ASP 12 3HB ASP 12 9.828 -8.540 -8.506 78 H THR 13 H THR 13 8.810 -6.495 -5.136 79 HA THR 13 HA THR 13 6.726 -5.683 -4.390 80 HB THR 13 HB THR 13 6.913 -4.854 -7.304 81 HG1 THR 13 1HG THR 13 8.987 -4.797 -6.420 82 HG21 THR 13 1HG2 THR 13 6.339 -2.631 -6.357 83 HG22 THR 13 2HG2 THR 13 5.062 -3.796 -5.974 84 HG23 THR 13 3HG2 THR 13 6.243 -3.334 -4.730 85 H GLU 14 H GLU 14 6.108 -8.298 -4.750 86 HA GLU 14 HA GLU 14 3.878 -8.501 -6.628 87 HB2 GLU 14 2HB GLU 14 5.944 -10.178 -5.909 88 HB3 GLU 14 3HB GLU 14 4.648 -10.873 -4.966 89 HG2 GLU 14 2HG GLU 14 4.594 -10.307 -7.967 90 HG3 GLU 14 3HG GLU 14 4.921 -11.877 -7.227 91 H GLU 15 H GLU 15 4.064 -9.942 -3.301 92 HA GLU 15 HA GLU 15 1.819 -8.176 -2.518 93 HB2 GLU 15 2HB GLU 15 1.683 -11.125 -2.891 94 HB3 GLU 15 3HB GLU 15 1.007 -10.516 -1.371 95 HG2 GLU 15 2HG GLU 15 -0.276 -8.792 -2.614 96 HG3 GLU 15 3HG GLU 15 0.322 -9.445 -4.144 97 H LYS 16 H LYS 16 3.672 -7.105 -1.701 98 HA LYS 16 HA LYS 16 4.535 -8.195 0.917 99 HB2 LYS 16 2HB LYS 16 6.325 -6.724 -1.074 100 HB3 LYS 16 3HB LYS 16 6.779 -7.332 0.528 101 HG2 LYS 16 2HG LYS 16 6.010 -9.648 -0.351 102 HG3 LYS 16 3HG LYS 16 6.051 -8.945 -1.958 103 HD2 LYS 16 2HD LYS 16 8.477 -8.867 -0.104 104 HD3 LYS 16 3HD LYS 16 8.109 -10.252 -1.148 105 HE2 LYS 16 2HE LYS 16 8.078 -8.766 -3.104 106 HE3 LYS 16 3HE LYS 16 8.519 -7.388 -2.071 107 HZ1 LYS 16 1HZ LYS 16 10.348 -8.843 -3.327 108 HZ2 LYS 16 2HZ LYS 16 10.661 -8.304 -1.790 109 HZ3 LYS 16 3HZ LYS 16 10.171 -9.824 -2.076 110 H CYS 17 H CYS 17 3.825 -6.849 2.482 111 HA CYS 17 HA CYS 17 2.728 -4.172 1.865 112 HB2 CYS 17 2HB CYS 17 1.755 -5.728 3.533 113 HB3 CYS 17 3HB CYS 17 3.240 -5.598 4.496 114 H THR 18 H THR 18 3.988 -2.366 1.801 115 HA THR 18 HA THR 18 6.671 -2.497 3.116 116 HB THR 18 HB THR 18 7.228 -0.717 1.410 117 HG1 THR 18 1HG THR 18 5.321 -1.519 -0.305 118 HG21 THR 18 1HG2 THR 18 7.492 -2.326 -0.469 119 HG22 THR 18 2HG2 THR 18 7.909 -3.101 1.065 120 HG23 THR 18 3HG2 THR 18 6.358 -3.449 0.294 121 H ILE 19 H ILE 19 3.814 -1.807 4.097 122 HA ILE 19 HA ILE 19 4.419 0.820 5.311 123 HB ILE 19 HB ILE 19 1.917 -0.839 5.538 124 HG12 ILE 19 2HG1 ILE 19 2.831 1.101 3.436 125 HG13 ILE 19 3HG1 ILE 19 1.867 -0.398 3.319 126 HG21 ILE 19 1HG2 ILE 19 2.340 0.732 7.391 127 HG22 ILE 19 2HG2 ILE 19 2.698 2.020 6.236 128 HG23 ILE 19 3HG2 ILE 19 1.045 1.377 6.399 129 HD11 ILE 19 1HD1 ILE 19 0.515 1.443 2.788 130 HD12 ILE 19 2HD1 ILE 19 -0.003 0.701 4.322 131 HD13 ILE 19 3HD1 ILE 19 0.914 2.247 4.330 132 H CYS 20 H CYS 20 2.972 -2.303 6.415 133 HA CYS 20 HA CYS 20 4.203 -2.219 9.056 134 HB2 CYS 20 2HB CYS 20 3.158 -4.758 7.879 135 HB3 CYS 20 3HB CYS 20 2.986 -4.096 9.492 136 H LEU 21 H LEU 21 5.858 -2.536 6.287 137 HA LEU 21 HA LEU 21 7.505 -3.801 5.390 138 HB2 LEU 21 2HB LEU 21 8.479 -3.508 8.255 139 HB3 LEU 21 3HB LEU 21 9.481 -3.884 6.855 140 HG LEU 21 HG LEU 21 8.031 -1.568 6.093 141 HD11 LEU 21 1HD1 LEU 21 7.462 -1.230 8.497 142 HD12 LEU 21 2HD1 LEU 21 9.194 -1.231 8.893 143 HD13 LEU 21 3HD1 LEU 21 8.511 0.048 7.863 144 HD21 LEU 21 1HD2 LEU 21 10.352 -2.121 5.464 145 HD22 LEU 21 2HD2 LEU 21 10.244 -0.489 6.149 146 HD23 LEU 21 3HD2 LEU 21 10.883 -1.823 7.135 147 H SER 22 H SER 22 5.806 -5.687 5.266 148 HA SER 22 HA SER 22 7.256 -8.068 6.065 149 HB2 SER 22 2HB SER 22 4.926 -8.919 7.103 150 HB3 SER 22 3HB SER 22 6.204 -8.193 8.084 151 HG SER 22 HG SER 22 5.141 -6.294 8.130 152 H ILE 23 H ILE 23 6.691 -9.865 4.881 153 HA ILE 23 HA ILE 23 5.114 -9.337 2.496 154 HB ILE 23 HB ILE 23 6.595 -11.806 3.519 155 HG12 ILE 23 2HG1 ILE 23 7.956 -11.135 1.372 156 HG13 ILE 23 3HG1 ILE 23 7.178 -9.563 1.566 157 HG21 ILE 23 1HG2 ILE 23 4.817 -12.554 2.050 158 HG22 ILE 23 2HG2 ILE 23 5.202 -11.295 0.846 159 HG23 ILE 23 3HG2 ILE 23 6.327 -12.632 1.176 160 HD11 ILE 23 1HD1 ILE 23 8.975 -10.857 3.637 161 HD12 ILE 23 2HD1 ILE 23 9.495 -9.697 2.386 162 HD13 ILE 23 3HD1 ILE 23 8.372 -9.173 3.633 163 H LEU 24 H LEU 24 3.336 -10.726 1.899 164 HA LEU 24 HA LEU 24 1.470 -10.896 4.181 165 HB2 LEU 24 2HB LEU 24 1.066 -10.879 1.154 166 HB3 LEU 24 3HB LEU 24 -0.228 -10.858 2.370 167 HG LEU 24 HG LEU 24 1.964 -8.728 2.077 168 HD11 LEU 24 1HD1 LEU 24 -0.903 -8.801 1.120 169 HD12 LEU 24 2HD1 LEU 24 0.242 -7.415 0.981 170 HD13 LEU 24 3HD1 LEU 24 0.541 -8.939 0.113 171 HD21 LEU 24 1HD2 LEU 24 1.085 -8.705 4.310 172 HD22 LEU 24 2HD2 LEU 24 0.282 -7.395 3.413 173 HD23 LEU 24 3HD2 LEU 24 -0.585 -8.919 3.719 174 H GLU 25 H GLU 25 1.206 -12.810 1.222 175 HA GLU 25 HA GLU 25 1.285 -14.972 0.757 176 HB2 GLU 25 2HB GLU 25 3.156 -16.293 1.378 177 HB3 GLU 25 3HB GLU 25 3.669 -14.646 1.042 178 HG2 GLU 25 2HG GLU 25 3.918 -14.194 3.451 179 HG3 GLU 25 3HG GLU 25 3.305 -15.810 3.842 180 H GLU 26 H GLU 26 -0.429 -14.044 2.910 181 HA GLU 26 HA GLU 26 -1.699 -16.509 3.580 182 HB2 GLU 26 2HB GLU 26 0.052 -16.414 5.347 183 HB3 GLU 26 3HB GLU 26 -0.502 -14.819 5.850 184 HG2 GLU 26 2HG GLU 26 -2.302 -17.282 5.824 185 HG3 GLU 26 3HG GLU 26 -1.245 -16.914 7.185 186 H GLY 27 H GLY 27 -3.848 -15.969 3.816 187 HA2 GLY 27 2HA GLY 27 -5.717 -14.677 3.276 188 HA3 GLY 27 3HA GLY 27 -5.219 -13.971 4.825 189 H GLU 28 H GLU 28 -3.808 -13.694 1.510 190 HA GLU 28 HA GLU 28 -3.102 -11.038 1.951 191 HB2 GLU 28 2HB GLU 28 -3.488 -12.286 -0.752 192 HB3 GLU 28 3HB GLU 28 -2.493 -10.904 -0.342 193 HG2 GLU 28 2HG GLU 28 -0.798 -12.418 -0.318 194 HG3 GLU 28 3HG GLU 28 -1.318 -12.607 1.340 195 H ASP 29 H ASP 29 -4.382 -9.538 2.264 196 HA ASP 29 HA ASP 29 -6.693 -8.903 0.491 197 HB2 ASP 29 2HB ASP 29 -7.010 -9.811 3.105 198 HB3 ASP 29 3HB ASP 29 -7.105 -8.064 3.287 199 H VAL 30 H VAL 30 -5.566 -7.432 -0.584 200 HA VAL 30 HA VAL 30 -4.208 -5.262 0.931 201 HB VAL 30 HB VAL 30 -2.640 -4.993 -0.849 202 HG11 VAL 30 1HG1 VAL 30 -2.229 -6.809 0.836 203 HG12 VAL 30 2HG1 VAL 30 -2.866 -7.982 -0.341 204 HG13 VAL 30 3HG1 VAL 30 -1.413 -7.041 -0.723 205 HG21 VAL 30 1HG2 VAL 30 -3.728 -5.381 -2.887 206 HG22 VAL 30 2HG2 VAL 30 -2.693 -6.818 -2.732 207 HG23 VAL 30 3HG2 VAL 30 -4.411 -6.936 -2.359 208 H ARG 31 H ARG 31 -4.168 -3.082 -0.360 209 HA ARG 31 HA ARG 31 -6.467 -3.023 -2.216 210 HB2 ARG 31 2HB ARG 31 -7.102 -2.405 0.218 211 HB3 ARG 31 3HB ARG 31 -6.258 -0.877 -0.074 212 HG2 ARG 31 2HG ARG 31 -7.815 -0.254 -1.784 213 HG3 ARG 31 3HG ARG 31 -8.300 -1.937 -2.062 214 HD2 ARG 31 2HD ARG 31 -9.261 -1.954 0.295 215 HD3 ARG 31 3HD ARG 31 -9.075 -0.184 0.284 216 HE ARG 31 HE ARG 31 -10.393 -0.961 -2.089 217 HH11 ARG 31 1HH1 ARG 31 -13.713 -1.054 -0.913 218 HH12 ARG 31 2HH1 ARG 31 -12.704 -1.066 -2.312 219 HH21 ARG 31 1HH2 ARG 31 -12.732 -0.987 1.253 220 HH22 ARG 31 2HH2 ARG 31 -11.012 -0.918 1.380 221 H ARG 32 H ARG 32 -5.499 -2.473 -4.043 222 HA ARG 32 HA ARG 32 -3.049 -0.942 -4.043 223 HB2 ARG 32 2HB ARG 32 -3.212 -0.979 -6.480 224 HB3 ARG 32 3HB ARG 32 -3.493 -2.582 -5.794 225 HG2 ARG 32 2HG ARG 32 -5.221 -2.597 -7.208 226 HG3 ARG 32 3HG ARG 32 -6.073 -1.748 -5.931 227 HD2 ARG 32 2HD ARG 32 -5.131 0.415 -7.152 228 HD3 ARG 32 3HD ARG 32 -4.906 -0.667 -8.518 229 HE ARG 32 HE ARG 32 -7.354 0.394 -7.404 230 HH11 ARG 32 1HH1 ARG 32 -9.503 -1.467 -9.508 231 HH12 ARG 32 2HH1 ARG 32 -9.384 -0.126 -8.429 232 HH21 ARG 32 1HH2 ARG 32 -7.574 -2.767 -9.987 233 HH22 ARG 32 2HH2 ARG 32 -6.074 -2.327 -9.250 234 H LEU 33 H LEU 33 -2.820 1.153 -3.901 235 HA LEU 33 HA LEU 33 -4.971 3.006 -3.792 236 HB2 LEU 33 2HB LEU 33 -1.915 3.187 -4.077 237 HB3 LEU 33 3HB LEU 33 -2.936 4.591 -3.943 238 HG LEU 33 HG LEU 33 -2.203 4.294 -1.772 239 HD11 LEU 33 1HD1 LEU 33 -4.697 2.568 -1.547 240 HD12 LEU 33 2HD1 LEU 33 -4.107 3.835 -0.450 241 HD13 LEU 33 3HD1 LEU 33 -4.814 4.274 -1.998 242 HD21 LEU 33 1HD2 LEU 33 -2.699 1.303 -1.812 243 HD22 LEU 33 2HD2 LEU 33 -1.126 2.087 -2.084 244 HD23 LEU 33 3HD2 LEU 33 -1.972 2.276 -0.536 245 HA PRO 34 HA PRO 34 -5.487 3.851 -8.040 246 HB2 PRO 34 2HB PRO 34 -5.925 6.578 -8.101 247 HB3 PRO 34 3HB PRO 34 -7.100 5.379 -7.477 248 HG2 PRO 34 2HG PRO 34 -5.111 7.028 -5.894 249 HG3 PRO 34 3HG PRO 34 -6.861 6.790 -5.568 250 HD2 PRO 34 2HD PRO 34 -4.992 5.330 -4.278 251 HD3 PRO 34 3HD PRO 34 -6.509 4.565 -4.828 252 H CYS 35 H CYS 35 -2.689 5.082 -6.366 253 HA CYS 35 HA CYS 35 -1.459 6.279 -8.831 254 HB2 CYS 35 2HB CYS 35 0.021 7.246 -7.381 255 HB3 CYS 35 3HB CYS 35 -1.480 7.324 -6.459 256 H MET 36 H MET 36 -2.155 3.455 -8.760 257 HA MET 36 HA MET 36 -1.414 1.358 -8.690 258 HB2 MET 36 2HB MET 36 0.558 2.735 -10.540 259 HB3 MET 36 3HB MET 36 0.534 0.976 -10.329 260 HG2 MET 36 2HG MET 36 -1.847 2.635 -11.230 261 HG3 MET 36 3HG MET 36 -0.778 1.697 -12.277 262 HE1 MET 36 1HE MET 36 -3.833 -0.572 -12.631 263 HE2 MET 36 2HE MET 36 -3.689 1.200 -12.724 264 HE3 MET 36 3HE MET 36 -2.426 0.162 -13.431 265 H HIS 37 H HIS 37 -0.991 1.487 -6.387 266 HA HIS 37 HA HIS 37 1.692 0.374 -5.972 267 HB2 HIS 37 1HB HIS 37 0.711 2.936 -4.725 268 HB3 HIS 37 2HB HIS 37 1.513 1.778 -3.674 269 HD2 HIS 37 2HD HIS 37 4.013 0.934 -4.384 270 HE1 HIS 37 1HE HIS 37 4.930 4.298 -6.830 271 HE2 HIS 37 2HE HIS 37 5.904 2.247 -5.648 272 H LEU 38 H LEU 38 1.311 -1.589 -4.982 273 HA LEU 38 HA LEU 38 -1.251 -1.905 -3.531 274 HB2 LEU 38 2HB LEU 38 -1.641 -3.771 -4.468 275 HB3 LEU 38 3HB LEU 38 -0.394 -3.407 -5.646 276 HG LEU 38 HG LEU 38 0.146 -4.909 -3.041 277 HD11 LEU 38 1HD1 LEU 38 -0.053 -6.947 -4.321 278 HD12 LEU 38 2HD1 LEU 38 -1.561 -6.023 -4.459 279 HD13 LEU 38 3HD1 LEU 38 -0.410 -6.038 -5.804 280 HD21 LEU 38 1HD2 LEU 38 1.710 -5.062 -5.638 281 HD22 LEU 38 2HD2 LEU 38 1.990 -3.719 -4.526 282 HD23 LEU 38 3HD2 LEU 38 2.252 -5.392 -3.982 283 H PHE 39 H PHE 39 -1.221 -2.448 -1.384 284 HA PHE 39 HA PHE 39 1.419 -3.043 -0.196 285 HB2 PHE 39 2HB PHE 39 -0.400 -0.772 0.656 286 HB3 PHE 39 3HB PHE 39 1.002 -1.324 1.556 287 HD1 PHE 39 1HD PHE 39 3.036 -1.547 -0.692 288 HD2 PHE 39 2HD PHE 39 0.110 1.478 0.211 289 HE1 PHE 39 1HE PHE 39 4.425 0.153 -1.831 290 HE2 PHE 39 2HE PHE 39 1.512 3.175 -0.902 291 HZ PHE 39 HZ PHE 39 3.680 2.521 -1.929 292 H HIS 40 H HIS 40 -1.781 -2.179 1.203 293 HA HIS 40 HA HIS 40 -2.293 -4.906 1.996 294 HB2 HIS 40 1HB HIS 40 -0.651 -3.485 3.710 295 HB3 HIS 40 2HB HIS 40 -2.225 -3.088 4.358 296 HD2 HIS 40 2HD HIS 40 -3.329 -6.297 3.679 297 HE1 HIS 40 1HE HIS 40 -0.547 -7.211 6.755 298 HE2 HIS 40 2HE HIS 40 -2.573 -8.050 5.435 299 H GLN 41 H GLN 41 -4.520 -4.710 3.443 300 HA GLN 41 HA GLN 41 -6.095 -2.470 2.358 301 HB2 GLN 41 2HB GLN 41 -7.004 -4.733 2.353 302 HB3 GLN 41 3HB GLN 41 -6.815 -4.873 4.095 303 HG2 GLN 41 2HG GLN 41 -8.396 -2.508 3.127 304 HG3 GLN 41 3HG GLN 41 -9.111 -4.093 2.818 305 HE21 GLN 41 1HE2 GLN 41 -9.437 -5.593 4.687 306 HE22 GLN 41 2HE2 GLN 41 -9.687 -4.854 6.264 307 H VAL 42 H VAL 42 -5.628 -3.834 5.677 308 HA VAL 42 HA VAL 42 -6.441 -1.481 6.936 309 HB VAL 42 HB VAL 42 -4.671 -3.708 8.020 310 HG11 VAL 42 1HG1 VAL 42 -4.563 -1.757 9.518 311 HG12 VAL 42 2HG1 VAL 42 -6.330 -1.581 9.456 312 HG13 VAL 42 3HG1 VAL 42 -5.597 -2.998 10.241 313 HG21 VAL 42 1HG2 VAL 42 -6.835 -4.559 8.935 314 HG22 VAL 42 2HG2 VAL 42 -7.693 -3.266 8.073 315 HG23 VAL 42 3HG2 VAL 42 -6.848 -4.538 7.170 316 H CYS 43 H CYS 43 -2.948 -2.521 6.449 317 HA CYS 43 HA CYS 43 -1.813 -0.368 7.863 318 HB2 CYS 43 2HB CYS 43 -0.664 -1.582 5.335 319 HB3 CYS 43 3HB CYS 43 0.151 -0.726 6.655 320 H VAL 44 H VAL 44 -2.805 -0.475 4.419 321 HA VAL 44 HA VAL 44 -1.857 2.035 3.641 322 HB VAL 44 HB VAL 44 -4.299 0.421 2.805 323 HG11 VAL 44 1HG1 VAL 44 -3.273 3.010 1.575 324 HG12 VAL 44 2HG1 VAL 44 -4.414 1.874 0.800 325 HG13 VAL 44 3HG1 VAL 44 -4.889 2.732 2.265 326 HG21 VAL 44 1HG2 VAL 44 -1.627 1.090 1.524 327 HG22 VAL 44 2HG2 VAL 44 -2.028 -0.442 2.321 328 HG23 VAL 44 3HG2 VAL 44 -2.871 0.029 0.824 329 H ASP 45 H ASP 45 -5.021 1.186 5.171 330 HA ASP 45 HA ASP 45 -5.726 4.003 5.564 331 HB2 ASP 45 2HB ASP 45 -7.353 2.177 4.959 332 HB3 ASP 45 3HB ASP 45 -7.080 1.456 6.550 333 H GLN 46 H GLN 46 -3.264 3.434 6.730 334 HA GLN 46 HA GLN 46 -3.840 4.137 9.502 335 HB2 GLN 46 2HB GLN 46 -3.597 1.684 9.532 336 HB3 GLN 46 3HB GLN 46 -2.003 1.801 8.801 337 HG2 GLN 46 2HG GLN 46 -2.336 3.458 11.246 338 HG3 GLN 46 3HG GLN 46 -2.557 1.727 11.504 339 HE21 GLN 46 1HE2 GLN 46 -0.688 0.625 12.037 340 HE22 GLN 46 2HE2 GLN 46 0.907 1.123 11.492 341 H ARG 47 H ARG 47 -0.993 3.266 7.397 342 HA ARG 47 HA ARG 47 0.525 5.508 8.271 343 HB2 ARG 47 2HB ARG 47 1.646 3.691 7.237 344 HB3 ARG 47 3HB ARG 47 0.713 3.886 5.738 345 HG2 ARG 47 2HG ARG 47 1.783 6.150 5.429 346 HG3 ARG 47 3HG ARG 47 2.769 5.855 6.860 347 HD2 ARG 47 2HD ARG 47 2.831 3.734 4.749 348 HD3 ARG 47 3HD ARG 47 3.451 5.309 4.249 349 HE ARG 47 HE ARG 47 4.718 4.916 6.627 350 HH11 ARG 47 1HH1 ARG 47 7.411 2.893 5.580 351 HH12 ARG 47 2HH1 ARG 47 6.867 4.011 6.780 352 HH21 ARG 47 1HH2 ARG 47 5.965 2.196 3.852 353 HH22 ARG 47 2HH2 ARG 47 4.469 3.032 3.640 354 H LEU 48 H LEU 48 -1.715 5.168 5.429 355 HA LEU 48 HA LEU 48 -0.988 7.897 4.610 356 HB2 LEU 48 2HB LEU 48 -2.950 5.877 3.445 357 HB3 LEU 48 3HB LEU 48 -2.661 7.467 2.787 358 HG LEU 48 HG LEU 48 -1.498 5.884 1.471 359 HD11 LEU 48 1HD1 LEU 48 -0.422 8.094 1.825 360 HD12 LEU 48 2HD1 LEU 48 0.567 7.391 3.128 361 HD13 LEU 48 3HD1 LEU 48 0.742 6.810 1.463 362 HD21 LEU 48 1HD2 LEU 48 0.239 5.071 3.813 363 HD22 LEU 48 2HD2 LEU 48 -1.159 4.130 3.243 364 HD23 LEU 48 3HD2 LEU 48 0.225 4.410 2.172 365 H ILE 49 H ILE 49 -2.525 7.291 7.290 366 HA ILE 49 HA ILE 49 -5.094 8.515 6.853 367 HB ILE 49 HB ILE 49 -3.340 8.070 9.295 368 HG12 ILE 49 2HG1 ILE 49 -4.446 6.107 8.116 369 HG13 ILE 49 3HG1 ILE 49 -4.794 6.288 9.834 370 HG21 ILE 49 1HG2 ILE 49 -4.612 10.016 9.891 371 HG22 ILE 49 2HG2 ILE 49 -6.097 9.342 9.192 372 HG23 ILE 49 3HG2 ILE 49 -5.384 8.625 10.660 373 HD11 ILE 49 1HD1 ILE 49 -6.656 7.130 7.569 374 HD12 ILE 49 2HD1 ILE 49 -6.781 5.652 8.537 375 HD13 ILE 49 3HD1 ILE 49 -7.014 7.218 9.314 376 H THR 50 H THR 50 -1.949 9.766 8.127 377 HA THR 50 HA THR 50 -3.033 12.512 7.902 378 HB THR 50 HB THR 50 -1.860 11.867 9.931 379 HG1 THR 50 1HG THR 50 -0.508 13.777 8.354 380 HG21 THR 50 1HG2 THR 50 0.577 11.589 9.988 381 HG22 THR 50 2HG2 THR 50 -0.188 10.267 9.097 382 HG23 THR 50 3HG2 THR 50 0.647 11.568 8.220 383 H ASN 51 H ASN 51 -2.784 11.112 5.362 384 HA ASN 51 HA ASN 51 -1.320 13.144 4.042 385 HB2 ASN 51 2HB ASN 51 0.390 11.074 4.778 386 HB3 ASN 51 3HB ASN 51 -0.135 10.532 3.183 387 HD21 ASN 51 1HD2 ASN 51 1.058 13.346 5.007 388 HD22 ASN 51 2HD2 ASN 51 1.931 14.091 3.666 389 H LYS 52 H LYS 52 -1.169 12.329 1.504 390 HA LYS 52 HA LYS 52 -2.870 10.227 0.744 391 HB2 LYS 52 2HB LYS 52 -4.707 11.505 -0.374 392 HB3 LYS 52 3HB LYS 52 -4.838 11.432 1.360 393 HG2 LYS 52 2HG LYS 52 -4.367 13.703 1.659 394 HG3 LYS 52 3HG LYS 52 -3.468 13.837 0.134 395 HD2 LYS 52 2HD LYS 52 -5.527 13.512 -1.157 396 HD3 LYS 52 3HD LYS 52 -6.475 13.374 0.340 397 HE2 LYS 52 2HE LYS 52 -6.017 15.658 0.938 398 HE3 LYS 52 3HE LYS 52 -4.754 15.794 -0.308 399 HZ1 LYS 52 1HZ LYS 52 -6.362 15.609 -1.986 400 HZ2 LYS 52 2HZ LYS 52 -7.591 15.338 -0.938 401 HZ3 LYS 52 3HZ LYS 52 -6.840 16.821 -0.992 402 H LYS 53 H LYS 53 -0.416 10.556 -0.140 403 HA LYS 53 HA LYS 53 -0.847 11.076 -2.940 404 HB2 LYS 53 2HB LYS 53 1.128 12.493 -3.290 405 HB3 LYS 53 3HB LYS 53 -0.218 13.319 -2.507 406 HG2 LYS 53 2HG LYS 53 0.865 13.360 -0.398 407 HG3 LYS 53 3HG LYS 53 2.083 12.156 -0.882 408 HD2 LYS 53 2HD LYS 53 3.065 13.709 -2.479 409 HD3 LYS 53 3HD LYS 53 1.801 14.916 -2.130 410 HE2 LYS 53 2HE LYS 53 2.535 14.996 0.235 411 HE3 LYS 53 3HE LYS 53 3.789 13.795 -0.104 412 HZ1 LYS 53 1HZ LYS 53 4.799 15.357 -1.625 413 HZ2 LYS 53 2HZ LYS 53 3.619 16.471 -1.342 414 HZ3 LYS 53 3HZ LYS 53 4.656 16.045 -0.138 415 H CYS 54 H CYS 54 0.810 10.007 -4.161 416 HA CYS 54 HA CYS 54 2.599 7.977 -2.782 417 HB2 CYS 54 2HB CYS 54 1.519 8.540 -5.500 418 HB3 CYS 54 3HB CYS 54 3.188 7.897 -5.373 419 HA PRO 55 HA PRO 55 5.910 10.976 -3.200 420 HB2 PRO 55 2HB PRO 55 8.107 9.319 -3.318 421 HB3 PRO 55 3HB PRO 55 7.187 9.647 -1.821 422 HG2 PRO 55 2HG PRO 55 6.965 7.250 -3.651 423 HG3 PRO 55 3HG PRO 55 7.006 7.290 -1.867 424 HD2 PRO 55 2HD PRO 55 4.670 7.092 -3.298 425 HD3 PRO 55 3HD PRO 55 4.761 7.951 -1.730 426 H ILE 56 H ILE 56 6.434 8.117 -5.384 427 HA ILE 56 HA ILE 56 7.348 10.092 -7.391 428 HB ILE 56 HB ILE 56 9.095 8.704 -6.452 429 HG12 ILE 56 2HG1 ILE 56 10.077 7.754 -8.521 430 HG13 ILE 56 3HG1 ILE 56 8.570 8.051 -9.379 431 HG21 ILE 56 1HG2 ILE 56 9.269 6.312 -6.819 432 HG22 ILE 56 2HG2 ILE 56 7.827 6.670 -5.871 433 HG23 ILE 56 3HG2 ILE 56 7.681 6.270 -7.598 434 HD11 ILE 56 1HD1 ILE 56 8.811 10.489 -8.959 435 HD12 ILE 56 2HD1 ILE 56 10.294 10.175 -8.022 436 HD13 ILE 56 3HD1 ILE 56 10.246 9.831 -9.762 437 H CYS 57 H CYS 57 4.890 10.051 -7.352 438 HA CYS 57 HA CYS 57 3.876 8.654 -9.854 439 HB2 CYS 57 2HB CYS 57 2.409 8.806 -7.258 440 HB3 CYS 57 3HB CYS 57 1.757 8.194 -8.761 441 H ARG 58 H ARG 58 3.175 11.009 -7.192 442 HA ARG 58 HA ARG 58 2.081 12.968 -7.120 443 HB2 ARG 58 2HB ARG 58 2.952 13.172 -10.020 444 HB3 ARG 58 3HB ARG 58 2.015 14.420 -9.200 445 HG2 ARG 58 2HG ARG 58 3.721 14.789 -7.558 446 HG3 ARG 58 3HG ARG 58 4.692 13.418 -8.152 447 HD2 ARG 58 2HD ARG 58 5.123 14.484 -10.239 448 HD3 ARG 58 3HD ARG 58 3.857 15.701 -9.971 449 HE ARG 58 HE ARG 58 5.713 15.992 -7.895 450 HH11 ARG 58 1HH1 ARG 58 7.645 18.492 -9.485 451 HH12 ARG 58 2HH1 ARG 58 7.192 17.806 -7.969 452 HH21 ARG 58 1HH2 ARG 58 6.732 17.619 -11.499 453 HH22 ARG 58 2HH2 ARG 58 5.627 16.295 -11.401 454 H VAL 59 H VAL 59 0.399 11.191 -6.781 455 HA VAL 59 HA VAL 59 -1.974 12.110 -8.229 456 HB VAL 59 HB VAL 59 -1.097 9.221 -7.857 457 HG11 VAL 59 1HG1 VAL 59 -3.384 8.544 -8.617 458 HG12 VAL 59 2HG1 VAL 59 -3.380 9.269 -7.012 459 HG13 VAL 59 3HG1 VAL 59 -3.922 10.225 -8.410 460 HG21 VAL 59 1HG2 VAL 59 -1.743 9.036 -10.250 461 HG22 VAL 59 2HG2 VAL 59 -2.142 10.767 -10.262 462 HG23 VAL 59 3HG2 VAL 59 -0.469 10.234 -9.998 463 H ASP 60 H ASP 60 -3.665 12.394 -6.724 464 HA ASP 60 HA ASP 60 -2.976 12.201 -3.909 465 HB2 ASP 60 2HB ASP 60 -5.346 13.192 -5.510 466 HB3 ASP 60 3HB ASP 60 -5.619 12.691 -3.842 467 H ILE 61 H ILE 61 -3.346 10.436 -2.673 468 HA ILE 61 HA ILE 61 -4.271 7.995 -3.892 469 HB ILE 61 HB ILE 61 -3.530 8.686 -1.015 470 HG12 ILE 61 2HG1 ILE 61 -1.681 9.286 -2.269 471 HG13 ILE 61 3HG1 ILE 61 -1.278 7.695 -1.660 472 HG21 ILE 61 1HG2 ILE 61 -4.620 6.519 -1.138 473 HG22 ILE 61 2HG2 ILE 61 -3.531 6.033 -2.459 474 HG23 ILE 61 3HG2 ILE 61 -2.883 6.338 -0.824 475 HD11 ILE 61 1HD1 ILE 61 -0.627 7.912 -3.979 476 HD12 ILE 61 2HD1 ILE 61 -1.990 6.775 -3.896 477 HD13 ILE 61 3HD1 ILE 61 -2.229 8.446 -4.458 478 H GLU 62 H GLU 62 -5.648 10.437 -1.794 479 HA GLU 62 HA GLU 62 -8.065 8.759 -1.423 480 HB2 GLU 62 2HB GLU 62 -6.635 9.110 0.681 481 HB3 GLU 62 3HB GLU 62 -6.952 10.836 0.508 482 HG2 GLU 62 2HG GLU 62 -8.519 10.095 2.091 483 HG3 GLU 62 3HG GLU 62 -9.446 10.298 0.604 484 H ALA 63 H ALA 63 -9.840 9.677 -2.291 485 HA ALA 63 HA ALA 63 -9.871 12.590 -2.879 486 HB1 ALA 63 1HB ALA 63 -10.371 10.336 -4.878 487 HB2 ALA 63 2HB ALA 63 -10.601 12.071 -5.185 488 HB3 ALA 63 3HB ALA 63 -8.973 11.435 -4.877 489 H GLN 64 H GLN 64 -11.084 11.482 -0.731 490 HA GLN 64 HA GLN 64 -13.939 11.394 -1.496 491 HB2 GLN 64 2HB GLN 64 -13.198 9.080 -1.173 492 HB3 GLN 64 3HB GLN 64 -12.437 9.500 0.362 493 HG2 GLN 64 2HG GLN 64 -14.528 8.374 0.798 494 HG3 GLN 64 3HG GLN 64 -14.678 10.049 1.317 495 HE21 GLN 64 1HE2 GLN 64 -16.170 7.574 -0.516 496 HE22 GLN 64 2HE2 GLN 64 -17.275 8.618 -1.402 497 H LEU 65 H LEU 65 -14.501 13.397 -0.664 498 HA LEU 65 HA LEU 65 -14.434 13.656 2.228 499 HB2 LEU 65 2HB LEU 65 -12.205 14.647 1.525 500 HB3 LEU 65 3HB LEU 65 -13.093 15.842 0.585 501 HG LEU 65 HG LEU 65 -14.388 16.016 3.040 502 HD11 LEU 65 1HD1 LEU 65 -12.695 16.001 4.795 503 HD12 LEU 65 2HD1 LEU 65 -12.760 14.402 4.027 504 HD13 LEU 65 3HD1 LEU 65 -11.440 15.524 3.632 505 HD21 LEU 65 1HD2 LEU 65 -11.906 17.549 2.166 506 HD22 LEU 65 2HD2 LEU 65 -13.595 17.925 1.741 507 HD23 LEU 65 3HD2 LEU 65 -13.061 18.058 3.423 508 HA PRO 66 HA PRO 66 -18.044 15.411 -0.035 509 HB2 PRO 66 2HB PRO 66 -20.068 14.204 1.331 510 HB3 PRO 66 3HB PRO 66 -19.087 13.332 0.117 511 HG2 PRO 66 2HG PRO 66 -18.706 13.339 3.131 512 HG3 PRO 66 3HG PRO 66 -18.805 11.923 2.034 513 HD2 PRO 66 2HD PRO 66 -16.417 12.987 2.832 514 HD3 PRO 66 3HD PRO 66 -16.637 12.313 1.188 515 H SER 67 H SER 67 -16.965 17.358 1.073 516 HA SER 67 HA SER 67 -18.984 18.626 2.688 517 HB2 SER 67 2HB SER 67 -17.600 17.397 4.424 518 HB3 SER 67 3HB SER 67 -16.199 18.356 3.901 519 HG SER 67 HG SER 67 -17.298 19.334 5.656 520 H GLU 68 H GLU 68 -19.118 20.355 1.290 521 HA GLU 68 HA GLU 68 -16.687 21.947 0.788 522 HB2 GLU 68 2HB GLU 68 -17.169 22.027 -1.640 523 HB3 GLU 68 3HB GLU 68 -16.714 20.425 -1.073 524 HG2 GLU 68 2HG GLU 68 -19.130 19.759 -1.032 525 HG3 GLU 68 3HG GLU 68 -19.557 21.347 -1.680 526 H SER 69 H SER 69 -19.239 22.162 2.408 527 HA SER 69 HA SER 69 -19.920 24.873 1.672 528 HB2 SER 69 2HB SER 69 -22.035 22.697 1.986 529 HB3 SER 69 3HB SER 69 -22.350 24.443 1.980 530 HG SER 69 HG SER 69 -22.677 23.551 -0.094 Start of MODEL 12 1 H1 MET 1 H1 MET 1 23.086 -38.421 -7.055 2 H2 MET 1 H2 MET 1 22.852 -38.892 -5.495 3 H3 MET 1 H3 MET 1 23.015 -37.295 -5.858 4 HA MET 1 HA MET 1 25.050 -38.101 -4.888 5 HB2 MET 1 2HB MET 1 24.818 -40.106 -7.153 6 HB3 MET 1 3HB MET 1 26.341 -39.812 -6.295 7 HG2 MET 1 2HG MET 1 25.556 -40.683 -4.280 8 HG3 MET 1 3HG MET 1 23.871 -40.383 -4.678 9 HE1 MET 1 1HE MET 1 26.972 -42.780 -5.518 10 HE2 MET 1 2HE MET 1 26.220 -43.010 -3.919 11 HE3 MET 1 3HE MET 1 26.080 -44.276 -5.156 12 H LYS 2 H LYS 2 24.985 -35.764 -5.614 13 HA LYS 2 HA LYS 2 27.211 -35.111 -7.030 14 HB2 LYS 2 2HB LYS 2 25.059 -35.604 -8.947 15 HB3 LYS 2 3HB LYS 2 25.446 -33.885 -8.938 16 HG2 LYS 2 2HG LYS 2 27.820 -34.334 -9.264 17 HG3 LYS 2 3HG LYS 2 27.531 -36.083 -9.199 18 HD2 LYS 2 2HD LYS 2 26.046 -35.892 -11.192 19 HD3 LYS 2 3HD LYS 2 26.430 -34.154 -11.288 20 HE2 LYS 2 2HE LYS 2 28.823 -34.674 -11.551 21 HE3 LYS 2 3HE LYS 2 28.493 -36.401 -11.348 22 HZ1 LYS 2 1HZ LYS 2 28.730 -35.827 -13.659 23 HZ2 LYS 2 2HZ LYS 2 27.191 -36.330 -13.374 24 HZ3 LYS 2 3HZ LYS 2 27.512 -34.725 -13.571 25 H GLN 3 H GLN 3 23.861 -33.782 -7.113 26 HA GLN 3 HA GLN 3 24.478 -31.734 -5.124 27 HB2 GLN 3 2HB GLN 3 23.895 -29.908 -6.628 28 HB3 GLN 3 3HB GLN 3 25.306 -30.770 -7.243 29 HG2 GLN 3 2HG GLN 3 23.571 -32.111 -8.701 30 HG3 GLN 3 3HG GLN 3 22.465 -30.790 -8.312 31 HE21 GLN 3 1HE2 GLN 3 23.425 -28.475 -8.784 32 HE22 GLN 3 2HE2 GLN 3 24.429 -28.386 -10.223 33 H ASP 4 H ASP 4 22.518 -30.681 -4.423 34 HA ASP 4 HA ASP 4 19.987 -31.840 -5.350 35 HB2 ASP 4 2HB ASP 4 20.643 -33.274 -3.455 36 HB3 ASP 4 3HB ASP 4 20.931 -31.846 -2.447 37 H GLY 5 H GLY 5 19.262 -29.942 -6.118 38 HA2 GLY 5 2HA GLY 5 18.673 -27.783 -4.258 39 HA3 GLY 5 3HA GLY 5 19.857 -27.348 -5.513 40 H GLU 6 H GLU 6 16.857 -26.625 -4.993 41 HA GLU 6 HA GLU 6 16.027 -26.690 -7.754 42 HB2 GLU 6 2HB GLU 6 15.223 -28.878 -6.489 43 HB3 GLU 6 3HB GLU 6 14.086 -27.782 -5.687 44 HG2 GLU 6 2HG GLU 6 13.285 -27.052 -7.964 45 HG3 GLU 6 3HG GLU 6 14.402 -28.207 -8.698 46 H GLU 7 H GLU 7 13.980 -25.132 -7.850 47 HA GLU 7 HA GLU 7 13.634 -23.499 -5.482 48 HB2 GLU 7 2HB GLU 7 15.794 -22.769 -6.900 49 HB3 GLU 7 3HB GLU 7 14.581 -21.978 -7.913 50 HG2 GLU 7 2HG GLU 7 13.764 -20.708 -5.956 51 HG3 GLU 7 3HG GLU 7 14.828 -21.627 -4.886 52 H GLY 8 H GLY 8 12.049 -21.605 -6.149 53 HA2 GLY 8 2HA GLY 8 10.007 -22.779 -7.989 54 HA3 GLY 8 3HA GLY 8 9.661 -21.812 -6.546 55 H THR 9 H THR 9 8.792 -19.868 -7.259 56 HA THR 9 HA THR 9 10.393 -18.097 -8.819 57 HB THR 9 HB THR 9 9.519 -19.484 -10.639 58 HG1 THR 9 1HG THR 9 9.674 -17.561 -11.407 59 HG21 THR 9 1HG2 THR 9 6.750 -18.754 -9.639 60 HG22 THR 9 2HG2 THR 9 7.126 -19.562 -11.169 61 HG23 THR 9 3HG2 THR 9 7.482 -20.368 -9.631 62 H GLU 10 H GLU 10 8.528 -16.168 -9.362 63 HA GLU 10 HA GLU 10 6.969 -14.706 -8.657 64 HB2 GLU 10 2HB GLU 10 5.888 -17.035 -8.616 65 HB3 GLU 10 3HB GLU 10 5.877 -16.908 -6.865 66 HG2 GLU 10 2HG GLU 10 4.307 -15.164 -6.927 67 HG3 GLU 10 3HG GLU 10 4.639 -14.786 -8.634 68 H GLU 11 H GLU 11 8.451 -13.158 -7.585 69 HA GLU 11 HA GLU 11 7.928 -12.995 -4.741 70 HB2 GLU 11 2HB GLU 11 9.890 -14.750 -5.048 71 HB3 GLU 11 3HB GLU 11 10.873 -13.335 -5.418 72 HG2 GLU 11 2HG GLU 11 9.773 -12.400 -3.147 73 HG3 GLU 11 3HG GLU 11 9.449 -14.096 -2.847 74 H ASP 12 H ASP 12 7.464 -11.205 -6.845 75 HA ASP 12 HA ASP 12 9.475 -9.037 -6.433 76 HB2 ASP 12 2HB ASP 12 9.516 -8.729 -8.891 77 HB3 ASP 12 3HB ASP 12 10.297 -10.189 -8.300 78 H THR 13 H THR 13 8.452 -7.317 -5.772 79 HA THR 13 HA THR 13 6.653 -6.177 -4.920 80 HB THR 13 HB THR 13 6.448 -5.613 -7.891 81 HG1 THR 13 1HG THR 13 8.346 -4.564 -7.667 82 HG21 THR 13 1HG2 THR 13 6.346 -3.817 -5.407 83 HG22 THR 13 2HG2 THR 13 6.286 -3.253 -7.091 84 HG23 THR 13 3HG2 THR 13 4.957 -4.219 -6.439 85 H GLU 14 H GLU 14 5.730 -8.792 -5.038 86 HA GLU 14 HA GLU 14 3.228 -8.796 -6.490 87 HB2 GLU 14 2HB GLU 14 5.028 -10.688 -6.137 88 HB3 GLU 14 3HB GLU 14 4.171 -10.988 -4.643 89 HG2 GLU 14 2HG GLU 14 2.025 -10.905 -6.243 90 HG3 GLU 14 3HG GLU 14 3.216 -11.140 -7.519 91 H GLU 15 H GLU 15 3.570 -10.023 -3.085 92 HA GLU 15 HA GLU 15 1.467 -8.063 -2.296 93 HB2 GLU 15 2HB GLU 15 1.474 -11.060 -1.823 94 HB3 GLU 15 3HB GLU 15 0.669 -9.928 -0.739 95 HG2 GLU 15 2HG GLU 15 -1.090 -10.391 -2.079 96 HG3 GLU 15 3HG GLU 15 -0.465 -8.962 -2.893 97 H LYS 16 H LYS 16 3.373 -6.901 -1.780 98 HA LYS 16 HA LYS 16 4.521 -7.755 0.841 99 HB2 LYS 16 2HB LYS 16 6.053 -6.414 -1.433 100 HB3 LYS 16 3HB LYS 16 6.688 -6.882 0.162 101 HG2 LYS 16 2HG LYS 16 5.824 -9.248 -0.388 102 HG3 LYS 16 3HG LYS 16 5.654 -8.723 -2.051 103 HD2 LYS 16 2HD LYS 16 8.326 -8.499 -0.619 104 HD3 LYS 16 3HD LYS 16 7.749 -10.036 -1.297 105 HE2 LYS 16 2HE LYS 16 7.409 -8.879 -3.482 106 HE3 LYS 16 3HE LYS 16 8.215 -7.464 -2.798 107 HZ1 LYS 16 1HZ LYS 16 10.194 -8.911 -2.463 108 HZ2 LYS 16 2HZ LYS 16 9.389 -10.209 -3.053 109 HZ3 LYS 16 3HZ LYS 16 9.742 -9.022 -4.046 110 H CYS 17 H CYS 17 4.038 -6.386 2.414 111 HA CYS 17 HA CYS 17 2.719 -3.778 2.003 112 HB2 CYS 17 2HB CYS 17 2.224 -5.448 3.821 113 HB3 CYS 17 3HB CYS 17 3.823 -5.154 4.473 114 H THR 18 H THR 18 4.191 -2.213 1.098 115 HA THR 18 HA THR 18 6.975 -2.335 2.166 116 HB THR 18 HB THR 18 7.611 -0.879 0.404 117 HG1 THR 18 1HG THR 18 5.893 0.471 0.313 118 HG21 THR 18 1HG2 THR 18 5.680 -2.914 -0.807 119 HG22 THR 18 2HG2 THR 18 7.070 -2.172 -1.595 120 HG23 THR 18 3HG2 THR 18 7.320 -3.303 -0.257 121 H ILE 19 H ILE 19 4.306 -1.310 3.522 122 HA ILE 19 HA ILE 19 5.254 1.391 4.293 123 HB ILE 19 HB ILE 19 2.695 -0.006 4.992 124 HG12 ILE 19 2HG1 ILE 19 3.511 1.464 2.495 125 HG13 ILE 19 3HG1 ILE 19 2.395 0.103 2.683 126 HG21 ILE 19 1HG2 ILE 19 3.413 2.909 5.058 127 HG22 ILE 19 2HG2 ILE 19 1.937 2.086 5.684 128 HG23 ILE 19 3HG2 ILE 19 3.489 1.819 6.458 129 HD11 ILE 19 1HD1 ILE 19 1.880 2.997 3.183 130 HD12 ILE 19 2HD1 ILE 19 1.141 1.885 1.993 131 HD13 ILE 19 3HD1 ILE 19 0.767 1.717 3.720 132 H CYS 20 H CYS 20 3.876 -1.659 5.703 133 HA CYS 20 HA CYS 20 5.257 -1.315 8.302 134 HB2 CYS 20 2HB CYS 20 4.038 -3.391 8.804 135 HB3 CYS 20 3HB CYS 20 2.977 -2.069 8.301 136 H LEU 21 H LEU 21 6.386 -2.108 5.323 137 HA LEU 21 HA LEU 21 8.207 -3.192 4.564 138 HB2 LEU 21 2HB LEU 21 9.089 -2.724 7.435 139 HB3 LEU 21 3HB LEU 21 10.171 -3.061 6.086 140 HG LEU 21 HG LEU 21 8.326 -0.635 6.179 141 HD11 LEU 21 1HD1 LEU 21 11.268 -0.854 6.924 142 HD12 LEU 21 2HD1 LEU 21 10.331 0.653 6.791 143 HD13 LEU 21 3HD1 LEU 21 9.917 -0.534 8.035 144 HD21 LEU 21 1HD2 LEU 21 9.067 -1.265 3.901 145 HD22 LEU 21 2HD2 LEU 21 9.830 0.234 4.430 146 HD23 LEU 21 3HD2 LEU 21 10.759 -1.282 4.455 147 H SER 22 H SER 22 6.299 -5.083 4.930 148 HA SER 22 HA SER 22 7.981 -7.407 5.493 149 HB2 SER 22 2HB SER 22 5.952 -8.331 6.923 150 HB3 SER 22 3HB SER 22 7.258 -7.402 7.666 151 HG SER 22 HG SER 22 5.952 -5.560 7.592 152 H ILE 23 H ILE 23 7.219 -9.321 4.561 153 HA ILE 23 HA ILE 23 5.355 -8.913 2.350 154 HB ILE 23 HB ILE 23 6.996 -11.279 3.346 155 HG12 ILE 23 2HG1 ILE 23 7.929 -10.661 0.891 156 HG13 ILE 23 3HG1 ILE 23 7.340 -9.061 1.344 157 HG21 ILE 23 1HG2 ILE 23 6.460 -12.353 1.186 158 HG22 ILE 23 2HG2 ILE 23 5.040 -12.125 2.171 159 HG23 ILE 23 3HG2 ILE 23 5.321 -11.033 0.812 160 HD11 ILE 23 1HD1 ILE 23 8.905 -9.083 3.277 161 HD12 ILE 23 2HD1 ILE 23 9.449 -10.708 2.777 162 HD13 ILE 23 3HD1 ILE 23 9.708 -9.305 1.711 163 H LEU 24 H LEU 24 3.539 -10.359 2.072 164 HA LEU 24 HA LEU 24 1.974 -10.438 4.559 165 HB2 LEU 24 2HB LEU 24 1.225 -10.629 1.601 166 HB3 LEU 24 3HB LEU 24 0.062 -10.539 2.944 167 HG LEU 24 HG LEU 24 2.152 -8.402 2.262 168 HD11 LEU 24 1HD1 LEU 24 -0.467 -7.394 1.945 169 HD12 LEU 24 2HD1 LEU 24 0.753 -7.708 0.706 170 HD13 LEU 24 3HD1 LEU 24 -0.440 -8.959 1.106 171 HD21 LEU 24 1HD2 LEU 24 -0.076 -8.518 4.315 172 HD22 LEU 24 2HD2 LEU 24 1.679 -8.361 4.615 173 HD23 LEU 24 3HD2 LEU 24 0.813 -7.049 3.847 174 H GLU 25 H GLU 25 0.858 -12.527 2.095 175 HA GLU 25 HA GLU 25 0.919 -14.681 1.676 176 HB2 GLU 25 2HB GLU 25 2.838 -15.351 3.887 177 HB3 GLU 25 3HB GLU 25 2.518 -16.149 2.349 178 HG2 GLU 25 2HG GLU 25 3.440 -13.813 1.379 179 HG3 GLU 25 3HG GLU 25 4.230 -13.819 2.973 180 H GLU 26 H GLU 26 -0.845 -15.747 2.146 181 HA GLU 26 HA GLU 26 -2.528 -16.749 3.150 182 HB2 GLU 26 2HB GLU 26 -0.833 -17.892 4.572 183 HB3 GLU 26 3HB GLU 26 -1.072 -16.645 5.815 184 HG2 GLU 26 2HG GLU 26 -3.482 -17.225 5.934 185 HG3 GLU 26 3HG GLU 26 -3.249 -18.446 4.679 186 H GLY 27 H GLY 27 -4.505 -16.043 3.760 187 HA2 GLY 27 2HA GLY 27 -6.123 -14.460 4.203 188 HA3 GLY 27 3HA GLY 27 -5.222 -14.238 5.715 189 H GLU 28 H GLU 28 -4.066 -13.464 2.404 190 HA GLU 28 HA GLU 28 -3.198 -10.902 3.307 191 HB2 GLU 28 2HB GLU 28 -2.225 -10.573 1.227 192 HB3 GLU 28 3HB GLU 28 -2.057 -12.265 1.633 193 HG2 GLU 28 2HG GLU 28 -2.721 -12.456 -0.511 194 HG3 GLU 28 3HG GLU 28 -4.260 -12.617 0.345 195 H ASP 29 H ASP 29 -3.860 -8.824 2.354 196 HA ASP 29 HA ASP 29 -6.036 -8.827 0.609 197 HB2 ASP 29 2HB ASP 29 -7.265 -8.786 2.864 198 HB3 ASP 29 3HB ASP 29 -6.473 -7.242 3.195 199 H VAL 30 H VAL 30 -5.847 -6.851 -0.642 200 HA VAL 30 HA VAL 30 -3.741 -4.958 0.232 201 HB VAL 30 HB VAL 30 -2.711 -4.852 -1.945 202 HG11 VAL 30 1HG1 VAL 30 -1.954 -6.574 -0.134 203 HG12 VAL 30 2HG1 VAL 30 -2.568 -7.775 -1.279 204 HG13 VAL 30 3HG1 VAL 30 -1.284 -6.674 -1.775 205 HG21 VAL 30 1HG2 VAL 30 -4.462 -5.548 -3.459 206 HG22 VAL 30 2HG2 VAL 30 -3.120 -6.698 -3.618 207 HG23 VAL 30 3HG2 VAL 30 -4.552 -7.157 -2.700 208 H ARG 31 H ARG 31 -3.952 -2.865 -0.664 209 HA ARG 31 HA ARG 31 -6.672 -2.381 -1.830 210 HB2 ARG 31 2HB ARG 31 -6.410 -2.145 0.715 211 HB3 ARG 31 3HB ARG 31 -5.358 -0.779 0.396 212 HG2 ARG 31 2HG ARG 31 -7.295 0.358 0.657 213 HG3 ARG 31 3HG ARG 31 -7.510 0.016 -1.067 214 HD2 ARG 31 2HD ARG 31 -9.033 -1.804 -0.582 215 HD3 ARG 31 3HD ARG 31 -8.525 -1.849 1.114 216 HE ARG 31 HE ARG 31 -9.583 0.715 0.540 217 HH11 ARG 31 1HH1 ARG 31 -12.747 0.087 1.941 218 HH12 ARG 31 2HH1 ARG 31 -11.630 1.308 1.453 219 HH21 ARG 31 1HH2 ARG 31 -12.175 -2.201 1.740 220 HH22 ARG 31 2HH2 ARG 31 -10.582 -2.605 1.254 221 H ARG 32 H ARG 32 -5.440 -2.242 -3.890 222 HA ARG 32 HA ARG 32 -3.274 -0.377 -4.134 223 HB2 ARG 32 2HB ARG 32 -3.444 -2.031 -5.837 224 HB3 ARG 32 3HB ARG 32 -5.108 -1.552 -6.246 225 HG2 ARG 32 2HG ARG 32 -3.176 0.636 -6.508 226 HG3 ARG 32 3HG ARG 32 -2.777 -0.743 -7.520 227 HD2 ARG 32 2HD ARG 32 -5.606 0.356 -7.427 228 HD3 ARG 32 3HD ARG 32 -4.392 1.029 -8.518 229 HE ARG 32 HE ARG 32 -4.199 -1.648 -8.999 230 HH11 ARG 32 1HH1 ARG 32 -6.844 -2.176 -11.252 231 HH12 ARG 32 2HH1 ARG 32 -5.307 -2.737 -10.713 232 HH21 ARG 32 1HH2 ARG 32 -7.815 -0.251 -10.247 233 HH22 ARG 32 2HH2 ARG 32 -6.959 0.541 -8.970 234 H LEU 33 H LEU 33 -3.447 1.654 -3.662 235 HA LEU 33 HA LEU 33 -5.812 3.247 -3.872 236 HB2 LEU 33 2HB LEU 33 -3.455 4.872 -3.888 237 HB3 LEU 33 3HB LEU 33 -4.627 4.549 -2.595 238 HG LEU 33 HG LEU 33 -3.185 2.496 -2.002 239 HD11 LEU 33 1HD1 LEU 33 -1.064 4.105 -3.490 240 HD12 LEU 33 2HD1 LEU 33 -0.883 2.523 -2.711 241 HD13 LEU 33 3HD1 LEU 33 -1.812 2.678 -4.216 242 HD21 LEU 33 1HD2 LEU 33 -2.031 5.271 -1.662 243 HD22 LEU 33 2HD2 LEU 33 -3.308 4.522 -0.669 244 HD23 LEU 33 3HD2 LEU 33 -1.675 3.827 -0.682 245 HA PRO 34 HA PRO 34 -5.852 4.359 -8.029 246 HB2 PRO 34 2HB PRO 34 -5.993 7.117 -8.205 247 HB3 PRO 34 3HB PRO 34 -7.328 6.055 -7.659 248 HG2 PRO 34 2HG PRO 34 -5.334 7.569 -5.967 249 HG3 PRO 34 3HG PRO 34 -7.114 7.475 -5.763 250 HD2 PRO 34 2HD PRO 34 -5.445 5.927 -4.307 251 HD3 PRO 34 3HD PRO 34 -6.986 5.262 -4.914 252 H CYS 35 H CYS 35 -3.020 5.225 -6.286 253 HA CYS 35 HA CYS 35 -1.559 6.200 -8.717 254 HB2 CYS 35 2HB CYS 35 -0.126 7.180 -7.333 255 HB3 CYS 35 3HB CYS 35 -1.559 7.268 -6.301 256 H MET 36 H MET 36 -2.647 3.306 -7.997 257 HA MET 36 HA MET 36 -2.156 1.343 -8.565 258 HB2 MET 36 2HB MET 36 -0.466 2.750 -10.639 259 HB3 MET 36 3HB MET 36 -0.864 1.017 -10.663 260 HG2 MET 36 2HG MET 36 -3.290 1.598 -10.511 261 HG3 MET 36 3HG MET 36 -2.869 3.305 -10.644 262 HE1 MET 36 1HE MET 36 -3.359 3.889 -14.221 263 HE2 MET 36 2HE MET 36 -4.190 3.986 -12.651 264 HE3 MET 36 3HE MET 36 -2.508 4.546 -12.803 265 H HIS 37 H HIS 37 -1.272 1.523 -6.382 266 HA HIS 37 HA HIS 37 1.322 0.110 -6.343 267 HB2 HIS 37 1HB HIS 37 0.543 2.719 -5.074 268 HB3 HIS 37 2HB HIS 37 1.350 1.552 -4.033 269 HD2 HIS 37 2HD HIS 37 3.668 0.413 -5.130 270 HE1 HIS 37 1HE HIS 37 4.702 3.918 -7.312 271 HE2 HIS 37 2HE HIS 37 5.560 1.676 -6.442 272 H LEU 38 H LEU 38 0.605 -1.884 -5.780 273 HA LEU 38 HA LEU 38 -1.589 -2.167 -3.843 274 HB2 LEU 38 2HB LEU 38 -2.021 -4.094 -4.705 275 HB3 LEU 38 3HB LEU 38 -0.961 -3.676 -6.040 276 HG LEU 38 HG LEU 38 -0.169 -5.241 -3.547 277 HD11 LEU 38 1HD1 LEU 38 -1.794 -6.258 -5.286 278 HD12 LEU 38 2HD1 LEU 38 -0.422 -6.272 -6.394 279 HD13 LEU 38 3HD1 LEU 38 -0.346 -7.189 -4.875 280 HD21 LEU 38 1HD2 LEU 38 1.610 -5.492 -5.864 281 HD22 LEU 38 2HD2 LEU 38 1.449 -3.793 -5.380 282 HD23 LEU 38 3HD2 LEU 38 1.984 -5.013 -4.207 283 H PHE 39 H PHE 39 -1.205 -2.893 -1.717 284 HA PHE 39 HA PHE 39 1.564 -3.484 -0.958 285 HB2 PHE 39 2HB PHE 39 -0.007 -1.221 0.335 286 HB3 PHE 39 3HB PHE 39 1.481 -1.896 0.977 287 HD1 PHE 39 1HD PHE 39 0.393 0.974 -0.309 288 HD2 PHE 39 2HD PHE 39 3.290 -2.052 -1.332 289 HE1 PHE 39 1HE PHE 39 1.715 2.657 -1.545 290 HE2 PHE 39 2HE PHE 39 4.570 -0.385 -2.611 291 HZ PHE 39 HZ PHE 39 3.810 1.983 -2.713 292 H HIS 40 H HIS 40 -1.179 -2.569 1.134 293 HA HIS 40 HA HIS 40 -2.022 -5.276 1.758 294 HB2 HIS 40 1HB HIS 40 0.226 -5.124 2.828 295 HB3 HIS 40 2HB HIS 40 -0.229 -3.636 3.573 296 HD2 HIS 40 2HD HIS 40 -2.490 -6.767 3.687 297 HE1 HIS 40 1HE HIS 40 -0.755 -6.348 7.548 298 HE2 HIS 40 2HE HIS 40 -2.415 -7.681 6.131 299 H GLN 41 H GLN 41 -4.180 -4.885 2.670 300 HA GLN 41 HA GLN 41 -5.181 -2.259 2.588 301 HB2 GLN 41 2HB GLN 41 -6.564 -4.273 2.462 302 HB3 GLN 41 3HB GLN 41 -6.223 -4.658 4.158 303 HG2 GLN 41 2HG GLN 41 -7.436 -2.701 4.924 304 HG3 GLN 41 3HG GLN 41 -7.514 -2.039 3.283 305 HE21 GLN 41 1HE2 GLN 41 -8.741 -4.743 5.362 306 HE22 GLN 41 2HE2 GLN 41 -9.972 -5.196 4.195 307 H VAL 42 H VAL 42 -3.954 -4.107 5.381 308 HA VAL 42 HA VAL 42 -4.546 -2.068 7.293 309 HB VAL 42 HB VAL 42 -2.428 -4.238 7.466 310 HG11 VAL 42 1HG1 VAL 42 -2.269 -2.610 9.308 311 HG12 VAL 42 2HG1 VAL 42 -3.999 -2.809 9.645 312 HG13 VAL 42 3HG1 VAL 42 -2.873 -4.161 9.897 313 HG21 VAL 42 1HG2 VAL 42 -4.581 -5.299 6.873 314 HG22 VAL 42 2HG2 VAL 42 -4.187 -5.621 8.559 315 HG23 VAL 42 3HG2 VAL 42 -5.391 -4.380 8.161 316 H CYS 43 H CYS 43 -1.779 -2.364 5.012 317 HA CYS 43 HA CYS 43 0.053 -0.513 6.473 318 HB2 CYS 43 2HB CYS 43 -0.253 -1.583 3.631 319 HB3 CYS 43 3HB CYS 43 0.826 -0.336 4.067 320 H VAL 44 H VAL 44 -2.149 -0.477 3.682 321 HA VAL 44 HA VAL 44 -1.539 2.110 2.990 322 HB VAL 44 HB VAL 44 -3.936 0.321 2.383 323 HG11 VAL 44 1HG1 VAL 44 -4.848 2.549 2.063 324 HG12 VAL 44 2HG1 VAL 44 -3.371 3.084 1.233 325 HG13 VAL 44 3HG1 VAL 44 -4.447 1.886 0.474 326 HG21 VAL 44 1HG2 VAL 44 -2.814 0.091 0.225 327 HG22 VAL 44 2HG2 VAL 44 -1.625 1.330 0.677 328 HG23 VAL 44 3HG2 VAL 44 -1.644 -0.235 1.518 329 H ASP 45 H ASP 45 -4.332 0.778 4.811 330 HA ASP 45 HA ASP 45 -5.456 3.365 5.444 331 HB2 ASP 45 2HB ASP 45 -6.581 1.057 4.920 332 HB3 ASP 45 3HB ASP 45 -6.256 0.661 6.603 333 H GLN 46 H GLN 46 -2.828 3.119 6.371 334 HA GLN 46 HA GLN 46 -3.137 3.700 9.218 335 HB2 GLN 46 2HB GLN 46 -2.615 1.319 9.247 336 HB3 GLN 46 3HB GLN 46 -1.230 1.570 8.179 337 HG2 GLN 46 2HG GLN 46 -0.489 1.242 10.456 338 HG3 GLN 46 3HG GLN 46 -0.080 2.870 9.934 339 HE21 GLN 46 1HE2 GLN 46 -1.316 4.704 10.873 340 HE22 GLN 46 2HE2 GLN 46 -2.196 4.424 12.374 341 H ARG 47 H ARG 47 -1.052 3.633 6.263 342 HA ARG 47 HA ARG 47 0.399 5.991 7.375 343 HB2 ARG 47 2HB ARG 47 1.682 3.998 6.888 344 HB3 ARG 47 3HB ARG 47 1.157 4.060 5.191 345 HG2 ARG 47 2HG ARG 47 2.505 6.518 6.260 346 HG3 ARG 47 3HG ARG 47 3.509 5.075 6.134 347 HD2 ARG 47 2HD ARG 47 2.913 4.781 3.774 348 HD3 ARG 47 3HD ARG 47 1.878 6.200 3.816 349 HE ARG 47 HE ARG 47 4.778 6.070 3.691 350 HH11 ARG 47 1HH1 ARG 47 5.027 9.557 3.276 351 HH12 ARG 47 2HH1 ARG 47 5.840 8.044 3.118 352 HH21 ARG 47 1HH2 ARG 47 2.762 9.604 4.045 353 HH22 ARG 47 2HH2 ARG 47 1.998 8.123 4.490 354 H LEU 48 H LEU 48 -1.988 5.230 4.999 355 HA LEU 48 HA LEU 48 -1.503 7.860 3.680 356 HB2 LEU 48 2HB LEU 48 -3.120 5.437 2.802 357 HB3 LEU 48 3HB LEU 48 -3.231 6.992 2.048 358 HG LEU 48 HG LEU 48 -1.830 5.654 0.732 359 HD11 LEU 48 1HD1 LEU 48 0.210 6.911 0.530 360 HD12 LEU 48 2HD1 LEU 48 -1.113 8.010 0.938 361 HD13 LEU 48 3HD1 LEU 48 0.062 7.528 2.185 362 HD21 LEU 48 1HD2 LEU 48 0.058 4.413 1.370 363 HD22 LEU 48 2HD2 LEU 48 0.175 5.221 2.942 364 HD23 LEU 48 3HD2 LEU 48 -1.151 4.102 2.630 365 H ILE 49 H ILE 49 -3.372 6.385 6.164 366 HA ILE 49 HA ILE 49 -5.812 7.811 5.804 367 HB ILE 49 HB ILE 49 -5.971 7.676 8.310 368 HG12 ILE 49 2HG1 ILE 49 -3.567 5.873 8.293 369 HG13 ILE 49 3HG1 ILE 49 -3.299 7.604 8.501 370 HG21 ILE 49 1HG2 ILE 49 -6.892 5.935 6.879 371 HG22 ILE 49 2HG2 ILE 49 -5.314 5.157 6.738 372 HG23 ILE 49 3HG2 ILE 49 -6.164 5.165 8.292 373 HD11 ILE 49 1HD1 ILE 49 -3.491 6.455 10.670 374 HD12 ILE 49 2HD1 ILE 49 -4.773 7.662 10.445 375 HD13 ILE 49 3HD1 ILE 49 -5.136 5.929 10.255 376 H THR 50 H THR 50 -6.481 9.779 6.744 377 HA THR 50 HA THR 50 -6.275 12.044 6.809 378 HB THR 50 HB THR 50 -4.877 12.861 8.719 379 HG1 THR 50 1HG THR 50 -3.383 10.884 8.391 380 HG21 THR 50 1HG2 THR 50 -6.527 10.362 9.314 381 HG22 THR 50 2HG2 THR 50 -6.150 11.674 10.442 382 HG23 THR 50 3HG2 THR 50 -7.195 11.990 9.041 383 H ASN 51 H ASN 51 -4.814 10.871 4.603 384 HA ASN 51 HA ASN 51 -2.940 13.050 4.103 385 HB2 ASN 51 2HB ASN 51 -1.770 10.904 5.181 386 HB3 ASN 51 3HB ASN 51 -2.016 10.213 3.575 387 HD21 ASN 51 1HD2 ASN 51 -0.351 12.682 5.460 388 HD22 ASN 51 2HD2 ASN 51 0.744 13.185 4.178 389 H LYS 52 H LYS 52 -2.143 12.638 1.648 390 HA LYS 52 HA LYS 52 -3.932 11.051 0.064 391 HB2 LYS 52 2HB LYS 52 -5.050 12.909 -1.149 392 HB3 LYS 52 3HB LYS 52 -5.549 12.745 0.517 393 HG2 LYS 52 2HG LYS 52 -3.700 14.648 0.932 394 HG3 LYS 52 3HG LYS 52 -3.996 14.965 -0.786 395 HD2 LYS 52 2HD LYS 52 -6.460 15.089 -0.275 396 HD3 LYS 52 3HD LYS 52 -6.076 14.842 1.442 397 HE2 LYS 52 2HE LYS 52 -4.581 16.899 1.301 398 HE3 LYS 52 3HE LYS 52 -5.243 17.183 -0.318 399 HZ1 LYS 52 1HZ LYS 52 -6.795 17.087 2.198 400 HZ2 LYS 52 2HZ LYS 52 -6.440 18.440 1.336 401 HZ3 LYS 52 3HZ LYS 52 -7.446 17.301 0.704 402 H LYS 53 H LYS 53 -1.156 10.907 0.102 403 HA LYS 53 HA LYS 53 -0.597 11.828 -2.638 404 HB2 LYS 53 2HB LYS 53 1.173 12.408 -0.231 405 HB3 LYS 53 3HB LYS 53 1.761 12.442 -1.892 406 HG2 LYS 53 2HG LYS 53 -0.396 14.268 -0.742 407 HG3 LYS 53 3HG LYS 53 1.280 14.681 -1.072 408 HD2 LYS 53 2HD LYS 53 0.582 13.778 -3.552 409 HD3 LYS 53 3HD LYS 53 -0.997 14.323 -2.988 410 HE2 LYS 53 2HE LYS 53 -0.092 16.197 -4.063 411 HE3 LYS 53 3HE LYS 53 0.113 16.529 -2.335 412 HZ1 LYS 53 1HZ LYS 53 2.182 15.480 -4.163 413 HZ2 LYS 53 2HZ LYS 53 2.111 17.016 -3.571 414 HZ3 LYS 53 3HZ LYS 53 2.403 15.753 -2.555 415 H CYS 54 H CYS 54 0.743 10.295 -3.786 416 HA CYS 54 HA CYS 54 0.989 7.601 -2.648 417 HB2 CYS 54 2HB CYS 54 1.134 8.701 -5.213 418 HB3 CYS 54 3HB CYS 54 2.813 8.321 -4.819 419 HA PRO 55 HA PRO 55 4.605 8.186 -0.322 420 HB2 PRO 55 2HB PRO 55 5.869 5.768 -0.308 421 HB3 PRO 55 3HB PRO 55 4.235 5.988 0.393 422 HG2 PRO 55 2HG PRO 55 4.972 4.825 -2.293 423 HG3 PRO 55 3HG PRO 55 3.733 4.268 -1.134 424 HD2 PRO 55 2HD PRO 55 3.295 5.882 -3.349 425 HD3 PRO 55 3HD PRO 55 2.177 5.800 -1.945 426 H ILE 56 H ILE 56 5.446 6.535 -3.402 427 HA ILE 56 HA ILE 56 7.567 8.520 -3.755 428 HB ILE 56 HB ILE 56 8.070 5.554 -4.236 429 HG12 ILE 56 2HG1 ILE 56 7.927 5.997 -1.761 430 HG13 ILE 56 3HG1 ILE 56 9.445 5.358 -2.337 431 HG21 ILE 56 1HG2 ILE 56 10.469 6.272 -4.382 432 HG22 ILE 56 2HG2 ILE 56 9.467 6.969 -5.657 433 HG23 ILE 56 3HG2 ILE 56 9.943 7.967 -4.274 434 HD11 ILE 56 1HD1 ILE 56 10.603 7.404 -2.038 435 HD12 ILE 56 2HD1 ILE 56 9.107 8.345 -1.899 436 HD13 ILE 56 3HD1 ILE 56 9.582 7.227 -0.604 437 H CYS 57 H CYS 57 5.227 8.894 -4.839 438 HA CYS 57 HA CYS 57 5.720 8.606 -7.695 439 HB2 CYS 57 2HB CYS 57 2.828 8.633 -7.013 440 HB3 CYS 57 3HB CYS 57 3.678 7.915 -8.371 441 H ARG 58 H ARG 58 3.499 10.300 -8.126 442 HA ARG 58 HA ARG 58 3.580 12.429 -6.154 443 HB2 ARG 58 2HB ARG 58 5.509 12.643 -8.108 444 HB3 ARG 58 3HB ARG 58 4.223 13.592 -8.833 445 HG2 ARG 58 2HG ARG 58 4.142 15.071 -6.908 446 HG3 ARG 58 3HG ARG 58 5.212 13.995 -5.972 447 HD2 ARG 58 2HD ARG 58 7.054 14.368 -7.455 448 HD3 ARG 58 3HD ARG 58 6.047 15.276 -8.600 449 HE ARG 58 HE ARG 58 5.760 16.770 -6.387 450 HH11 ARG 58 1HH1 ARG 58 8.761 18.615 -6.315 451 HH12 ARG 58 2HH1 ARG 58 7.102 18.601 -5.854 452 HH21 ARG 58 1HH2 ARG 58 9.679 16.797 -7.514 453 HH22 ARG 58 2HH2 ARG 58 8.665 15.462 -7.918 454 H VAL 59 H VAL 59 1.390 11.565 -6.037 455 HA VAL 59 HA VAL 59 -0.396 12.985 -7.814 456 HB VAL 59 HB VAL 59 0.256 10.495 -8.677 457 HG11 VAL 59 1HG1 VAL 59 -0.608 9.379 -6.640 458 HG12 VAL 59 2HG1 VAL 59 -2.242 9.967 -7.031 459 HG13 VAL 59 3HG1 VAL 59 -1.427 8.876 -8.145 460 HG21 VAL 59 1HG2 VAL 59 -2.549 11.689 -8.821 461 HG22 VAL 59 2HG2 VAL 59 -1.174 12.130 -9.862 462 HG23 VAL 59 3HG2 VAL 59 -1.855 10.495 -9.934 463 H ASP 60 H ASP 60 -2.697 12.731 -6.928 464 HA ASP 60 HA ASP 60 -2.576 12.646 -4.017 465 HB2 ASP 60 2HB ASP 60 -4.769 13.778 -4.148 466 HB3 ASP 60 3HB ASP 60 -3.479 14.668 -4.951 467 H ILE 61 H ILE 61 -3.558 11.086 -2.824 468 HA ILE 61 HA ILE 61 -4.530 8.742 -4.241 469 HB ILE 61 HB ILE 61 -4.007 9.302 -1.298 470 HG12 ILE 61 2HG1 ILE 61 -1.974 9.696 -2.371 471 HG13 ILE 61 3HG1 ILE 61 -1.842 8.054 -1.738 472 HG21 ILE 61 1HG2 ILE 61 -5.365 7.266 -1.649 473 HG22 ILE 61 2HG2 ILE 61 -4.099 6.641 -2.720 474 HG23 ILE 61 3HG2 ILE 61 -3.755 6.928 -1.003 475 HD11 ILE 61 1HD1 ILE 61 -2.536 7.267 -4.082 476 HD12 ILE 61 2HD1 ILE 61 -2.344 8.959 -4.595 477 HD13 ILE 61 3HD1 ILE 61 -0.958 8.059 -3.973 478 H GLU 62 H GLU 62 -5.876 11.396 -2.427 479 HA GLU 62 HA GLU 62 -8.562 10.221 -2.630 480 HB2 GLU 62 2HB GLU 62 -7.704 9.564 -0.374 481 HB3 GLU 62 3HB GLU 62 -7.413 11.272 -0.004 482 HG2 GLU 62 2HG GLU 62 -9.854 11.735 -0.361 483 HG3 GLU 62 3HG GLU 62 -10.112 10.019 -0.687 484 H ALA 63 H ALA 63 -10.092 11.851 -3.031 485 HA ALA 63 HA ALA 63 -9.287 14.681 -2.815 486 HB1 ALA 63 1HB ALA 63 -9.674 14.999 -5.246 487 HB2 ALA 63 2HB ALA 63 -8.332 13.879 -4.953 488 HB3 ALA 63 3HB ALA 63 -9.919 13.249 -5.441 489 H GLN 64 H GLN 64 -11.235 13.456 -1.268 490 HA GLN 64 HA GLN 64 -13.754 14.426 -2.522 491 HB2 GLN 64 2HB GLN 64 -13.505 11.966 -2.886 492 HB3 GLN 64 3HB GLN 64 -13.415 11.749 -1.138 493 HG2 GLN 64 2HG GLN 64 -15.658 11.547 -1.136 494 HG3 GLN 64 3HG GLN 64 -15.772 13.268 -1.495 495 HE21 GLN 64 1HE2 GLN 64 -16.914 10.324 -2.525 496 HE22 GLN 64 2HE2 GLN 64 -17.212 10.779 -4.198 497 H LEU 65 H LEU 65 -12.531 16.069 -0.799 498 HA LEU 65 HA LEU 65 -14.478 16.096 1.350 499 HB2 LEU 65 2HB LEU 65 -11.725 15.315 1.929 500 HB3 LEU 65 3HB LEU 65 -11.990 16.929 2.551 501 HG LEU 65 HG LEU 65 -14.272 15.701 3.477 502 HD11 LEU 65 1HD1 LEU 65 -13.633 13.460 2.710 503 HD12 LEU 65 2HD1 LEU 65 -12.074 13.588 3.543 504 HD13 LEU 65 3HD1 LEU 65 -13.589 13.541 4.472 505 HD21 LEU 65 1HD2 LEU 65 -13.122 15.609 5.642 506 HD22 LEU 65 2HD2 LEU 65 -11.547 15.736 4.829 507 HD23 LEU 65 3HD2 LEU 65 -12.696 17.091 4.774 508 HA PRO 66 HA PRO 66 -13.903 20.422 0.193 509 HB2 PRO 66 2HB PRO 66 -15.039 21.747 2.291 510 HB3 PRO 66 3HB PRO 66 -16.016 20.750 1.171 511 HG2 PRO 66 2HG PRO 66 -14.908 19.958 3.881 512 HG3 PRO 66 3HG PRO 66 -16.582 19.757 3.269 513 HD2 PRO 66 2HD PRO 66 -14.689 17.772 3.187 514 HD3 PRO 66 3HD PRO 66 -15.967 17.920 1.939 515 H SER 67 H SER 67 -13.011 22.564 1.543 516 HA SER 67 HA SER 67 -10.332 21.996 2.363 517 HB2 SER 67 2HB SER 67 -10.604 24.452 3.196 518 HB3 SER 67 3HB SER 67 -10.740 24.135 1.451 519 HG SER 67 HG SER 67 -12.444 25.459 2.389 520 H GLU 68 H GLU 68 -13.129 23.219 4.137 521 HA GLU 68 HA GLU 68 -13.963 22.847 6.241 522 HB2 GLU 68 2HB GLU 68 -13.089 20.469 6.153 523 HB3 GLU 68 3HB GLU 68 -11.600 21.062 6.903 524 HG2 GLU 68 2HG GLU 68 -13.520 22.160 8.568 525 HG3 GLU 68 3HG GLU 68 -14.291 20.653 8.085 526 H SER 69 H SER 69 -10.334 23.017 6.292 527 HA SER 69 HA SER 69 -10.504 25.571 7.718 528 HB2 SER 69 2HB SER 69 -8.578 24.616 9.180 529 HB3 SER 69 3HB SER 69 -10.254 24.229 9.607 530 HG SER 69 HG SER 69 -10.006 22.185 8.955 Start of MODEL 13 1 H1 MET 1 H1 MET 1 26.738 -28.228 6.767 2 H2 MET 1 H2 MET 1 27.110 -27.529 8.213 3 H3 MET 1 H3 MET 1 27.329 -26.693 6.810 4 HA MET 1 HA MET 1 29.443 -27.470 7.640 5 HB2 MET 1 2HB MET 1 28.049 -30.162 7.406 6 HB3 MET 1 3HB MET 1 29.803 -29.981 7.565 7 HG2 MET 1 2HG MET 1 29.615 -28.986 9.727 8 HG3 MET 1 3HG MET 1 27.856 -28.846 9.599 9 HE1 MET 1 1HE MET 1 29.779 -30.332 11.988 10 HE2 MET 1 2HE MET 1 28.066 -29.859 12.111 11 HE3 MET 1 3HE MET 1 28.554 -31.536 12.445 12 H LYS 2 H LYS 2 29.173 -26.171 5.410 13 HA LYS 2 HA LYS 2 30.653 -27.606 3.521 14 HB2 LYS 2 2HB LYS 2 28.030 -28.295 3.163 15 HB3 LYS 2 3HB LYS 2 28.050 -26.800 2.229 16 HG2 LYS 2 2HG LYS 2 29.913 -27.680 0.853 17 HG3 LYS 2 3HG LYS 2 30.037 -29.104 1.903 18 HD2 LYS 2 2HD LYS 2 27.765 -29.803 1.243 19 HD3 LYS 2 3HD LYS 2 27.626 -28.364 0.197 20 HE2 LYS 2 2HE LYS 2 29.619 -29.104 -1.079 21 HE3 LYS 2 3HE LYS 2 29.745 -30.547 -0.049 22 HZ1 LYS 2 1HZ LYS 2 27.547 -31.195 -0.857 23 HZ2 LYS 2 2HZ LYS 2 27.512 -29.873 -1.849 24 HZ3 LYS 2 3HZ LYS 2 28.629 -31.052 -2.092 25 H GLN 3 H GLN 3 30.681 -25.980 1.380 26 HA GLN 3 HA GLN 3 30.311 -23.180 2.261 27 HB2 GLN 3 2HB GLN 3 32.639 -23.842 2.822 28 HB3 GLN 3 3HB GLN 3 32.895 -24.425 1.178 29 HG2 GLN 3 2HG GLN 3 33.899 -22.170 1.718 30 HG3 GLN 3 3HG GLN 3 32.885 -22.190 0.288 31 HE21 GLN 3 1HE2 GLN 3 31.007 -20.905 0.232 32 HE22 GLN 3 2HE2 GLN 3 30.555 -19.870 1.590 33 H ASP 4 H ASP 4 28.411 -23.996 0.962 34 HA ASP 4 HA ASP 4 28.762 -22.895 -1.723 35 HB2 ASP 4 2HB ASP 4 27.379 -25.538 -1.057 36 HB3 ASP 4 3HB ASP 4 27.037 -24.592 -2.509 37 H GLY 5 H GLY 5 27.070 -21.500 -2.006 38 HA2 GLY 5 2HA GLY 5 24.766 -21.600 -0.101 39 HA3 GLY 5 3HA GLY 5 25.458 -20.076 -0.696 40 H GLU 6 H GLU 6 22.671 -21.112 -1.089 41 HA GLU 6 HA GLU 6 22.489 -20.825 -3.976 42 HB2 GLU 6 2HB GLU 6 21.775 -23.331 -2.448 43 HB3 GLU 6 3HB GLU 6 20.597 -22.738 -3.621 44 HG2 GLU 6 2HG GLU 6 22.396 -22.668 -5.364 45 HG3 GLU 6 3HG GLU 6 23.489 -23.456 -4.214 46 H GLU 7 H GLU 7 20.057 -20.476 -4.468 47 HA GLU 7 HA GLU 7 18.429 -19.673 -2.227 48 HB2 GLU 7 2HB GLU 7 20.084 -17.725 -2.885 49 HB3 GLU 7 3HB GLU 7 18.999 -17.499 -4.267 50 HG2 GLU 7 2HG GLU 7 17.094 -17.174 -2.728 51 HG3 GLU 7 3HG GLU 7 18.112 -17.579 -1.343 52 H GLY 8 H GLY 8 16.241 -18.788 -3.267 53 HA2 GLY 8 2HA GLY 8 15.592 -20.608 -5.524 54 HA3 GLY 8 3HA GLY 8 14.450 -19.886 -4.377 55 H THR 9 H THR 9 13.081 -18.658 -5.715 56 HA THR 9 HA THR 9 14.172 -16.315 -6.946 57 HB THR 9 HB THR 9 14.700 -17.996 -8.682 58 HG1 THR 9 1HG THR 9 13.653 -16.890 -10.358 59 HG21 THR 9 1HG2 THR 9 12.927 -19.112 -9.939 60 HG22 THR 9 2HG2 THR 9 12.870 -19.608 -8.238 61 HG23 THR 9 3HG2 THR 9 11.693 -18.432 -8.864 62 H GLU 10 H GLU 10 12.054 -15.524 -8.409 63 HA GLU 10 HA GLU 10 9.950 -14.812 -8.499 64 HB2 GLU 10 2HB GLU 10 9.673 -17.441 -8.169 65 HB3 GLU 10 3HB GLU 10 8.946 -16.964 -6.642 66 HG2 GLU 10 2HG GLU 10 7.124 -17.046 -8.108 67 HG3 GLU 10 3HG GLU 10 7.508 -15.320 -8.107 68 H GLU 11 H GLU 11 11.368 -13.210 -6.896 69 HA GLU 11 HA GLU 11 9.210 -12.342 -5.140 70 HB2 GLU 11 2HB GLU 11 10.421 -12.203 -3.137 71 HB3 GLU 11 3HB GLU 11 10.683 -13.802 -3.754 72 HG2 GLU 11 2HG GLU 11 12.803 -13.355 -3.105 73 HG3 GLU 11 3HG GLU 11 12.923 -12.823 -4.774 74 H ASP 12 H ASP 12 8.785 -10.393 -6.110 75 HA ASP 12 HA ASP 12 10.734 -8.322 -5.727 76 HB2 ASP 12 2HB ASP 12 11.464 -9.093 -7.988 77 HB3 ASP 12 3HB ASP 12 9.813 -8.875 -8.588 78 H THR 13 H THR 13 9.433 -6.744 -4.938 79 HA THR 13 HA THR 13 7.416 -6.063 -3.914 80 HB THR 13 HB THR 13 7.387 -5.114 -6.801 81 HG1 THR 13 1HG THR 13 8.827 -4.094 -4.578 82 HG21 THR 13 1HG2 THR 13 5.514 -4.050 -5.653 83 HG22 THR 13 2HG2 THR 13 6.499 -3.769 -4.199 84 HG23 THR 13 3HG2 THR 13 6.834 -2.890 -5.711 85 H GLU 14 H GLU 14 6.806 -8.790 -4.724 86 HA GLU 14 HA GLU 14 4.524 -8.837 -6.343 87 HB2 GLU 14 2HB GLU 14 6.237 -10.683 -5.787 88 HB3 GLU 14 3HB GLU 14 5.312 -10.984 -4.324 89 HG2 GLU 14 2HG GLU 14 4.530 -12.534 -5.962 90 HG3 GLU 14 3HG GLU 14 3.258 -11.315 -5.813 91 H GLU 15 H GLU 15 4.513 -9.822 -2.858 92 HA GLU 15 HA GLU 15 2.103 -8.171 -2.446 93 HB2 GLU 15 2HB GLU 15 0.870 -10.004 -1.405 94 HB3 GLU 15 3HB GLU 15 1.127 -10.233 -3.124 95 HG2 GLU 15 2HG GLU 15 2.841 -11.912 -2.731 96 HG3 GLU 15 3HG GLU 15 2.801 -11.630 -0.990 97 H LYS 16 H LYS 16 4.231 -7.167 -1.596 98 HA LYS 16 HA LYS 16 4.721 -8.145 1.177 99 HB2 LYS 16 2HB LYS 16 6.697 -6.736 -0.657 100 HB3 LYS 16 3HB LYS 16 6.984 -7.317 0.996 101 HG2 LYS 16 2HG LYS 16 6.156 -9.616 0.081 102 HG3 LYS 16 3HG LYS 16 6.447 -8.965 -1.512 103 HD2 LYS 16 2HD LYS 16 8.602 -9.027 0.647 104 HD3 LYS 16 3HD LYS 16 8.270 -10.406 -0.418 105 HE2 LYS 16 2HE LYS 16 8.687 -9.003 -2.392 106 HE3 LYS 16 3HE LYS 16 9.049 -7.626 -1.332 107 HZ1 LYS 16 1HZ LYS 16 10.570 -10.176 -1.456 108 HZ2 LYS 16 2HZ LYS 16 11.064 -8.854 -2.099 109 HZ3 LYS 16 3HZ LYS 16 10.934 -8.919 -0.455 110 H CYS 17 H CYS 17 3.971 -6.910 2.677 111 HA CYS 17 HA CYS 17 2.755 -4.277 2.357 112 HB2 CYS 17 2HB CYS 17 2.324 -6.321 3.990 113 HB3 CYS 17 3HB CYS 17 3.590 -5.583 4.955 114 H THR 18 H THR 18 4.283 -2.707 1.665 115 HA THR 18 HA THR 18 6.798 -2.513 3.213 116 HB THR 18 HB THR 18 7.264 -0.789 1.362 117 HG1 THR 18 1HG THR 18 5.892 -1.395 -0.521 118 HG21 THR 18 1HG2 THR 18 6.737 -3.692 0.564 119 HG22 THR 18 2HG2 THR 18 7.851 -2.565 -0.235 120 HG23 THR 18 3HG2 THR 18 8.181 -3.115 1.416 121 H ILE 19 H ILE 19 4.132 -1.974 4.359 122 HA ILE 19 HA ILE 19 4.713 0.746 5.367 123 HB ILE 19 HB ILE 19 2.117 -0.766 5.516 124 HG12 ILE 19 2HG1 ILE 19 3.310 1.153 3.506 125 HG13 ILE 19 3HG1 ILE 19 2.441 -0.386 3.267 126 HG21 ILE 19 1HG2 ILE 19 2.205 0.583 7.363 127 HG22 ILE 19 2HG2 ILE 19 3.253 1.771 6.606 128 HG23 ILE 19 3HG2 ILE 19 1.508 1.717 6.224 129 HD11 ILE 19 1HD1 ILE 19 0.682 0.701 2.793 130 HD12 ILE 19 2HD1 ILE 19 0.600 1.229 4.448 131 HD13 ILE 19 3HD1 ILE 19 1.439 2.258 3.265 132 H CYS 20 H CYS 20 3.110 -2.299 6.336 133 HA CYS 20 HA CYS 20 4.110 -2.278 9.108 134 HB2 CYS 20 2HB CYS 20 2.796 -4.676 8.595 135 HB3 CYS 20 3HB CYS 20 2.137 -3.235 9.347 136 H LEU 21 H LEU 21 5.796 -2.868 6.415 137 HA LEU 21 HA LEU 21 7.562 -4.159 5.840 138 HB2 LEU 21 2HB LEU 21 7.953 -3.612 8.797 139 HB3 LEU 21 3HB LEU 21 9.235 -4.269 7.780 140 HG LEU 21 HG LEU 21 7.809 -1.708 6.983 141 HD11 LEU 21 1HD1 LEU 21 8.621 -1.337 9.255 142 HD12 LEU 21 2HD1 LEU 21 10.227 -1.968 8.817 143 HD13 LEU 21 3HD1 LEU 21 9.625 -0.455 8.095 144 HD21 LEU 21 1HD2 LEU 21 9.921 -1.285 5.798 145 HD22 LEU 21 2HD2 LEU 21 10.606 -2.796 6.435 146 HD23 LEU 21 3HD2 LEU 21 9.243 -2.842 5.295 147 H SER 22 H SER 22 5.698 -5.906 5.646 148 HA SER 22 HA SER 22 6.948 -8.394 6.521 149 HB2 SER 22 2HB SER 22 4.535 -9.141 7.333 150 HB3 SER 22 3HB SER 22 5.659 -8.352 8.444 151 HG SER 22 HG SER 22 4.598 -6.452 8.209 152 H ILE 23 H ILE 23 6.101 -10.233 5.342 153 HA ILE 23 HA ILE 23 4.802 -9.437 2.818 154 HB ILE 23 HB ILE 23 6.074 -12.053 3.764 155 HG12 ILE 23 2HG1 ILE 23 7.669 -11.251 1.832 156 HG13 ILE 23 3HG1 ILE 23 7.014 -9.647 2.170 157 HG21 ILE 23 1HG2 ILE 23 5.972 -12.608 1.322 158 HG22 ILE 23 2HG2 ILE 23 4.382 -12.435 2.038 159 HG23 ILE 23 3HG2 ILE 23 5.012 -11.127 1.055 160 HD11 ILE 23 1HD1 ILE 23 8.059 -9.660 4.364 161 HD12 ILE 23 2HD1 ILE 23 8.504 -11.379 4.169 162 HD13 ILE 23 3HD1 ILE 23 9.231 -10.124 3.135 163 H LEU 24 H LEU 24 2.950 -10.708 2.109 164 HA LEU 24 HA LEU 24 1.032 -10.906 4.344 165 HB2 LEU 24 2HB LEU 24 0.697 -10.708 1.312 166 HB3 LEU 24 3HB LEU 24 -0.617 -10.673 2.489 167 HG LEU 24 HG LEU 24 1.701 -8.673 2.314 168 HD11 LEU 24 1HD1 LEU 24 0.268 -8.752 0.339 169 HD12 LEU 24 2HD1 LEU 24 -1.165 -8.476 1.341 170 HD13 LEU 24 3HD1 LEU 24 0.100 -7.211 1.217 171 HD21 LEU 24 1HD2 LEU 24 0.690 -8.811 4.575 172 HD22 LEU 24 2HD2 LEU 24 0.364 -7.272 3.774 173 HD23 LEU 24 3HD2 LEU 24 -0.908 -8.507 3.857 174 H GLU 25 H GLU 25 0.930 -12.618 1.260 175 HA GLU 25 HA GLU 25 1.396 -14.692 0.610 176 HB2 GLU 25 2HB GLU 25 1.744 -15.609 3.481 177 HB3 GLU 25 3HB GLU 25 2.125 -16.482 1.991 178 HG2 GLU 25 2HG GLU 25 3.702 -14.526 1.434 179 HG3 GLU 25 3HG GLU 25 3.491 -14.032 3.129 180 H GLU 26 H GLU 26 -0.841 -13.959 0.200 181 HA GLU 26 HA GLU 26 -3.091 -14.262 0.112 182 HB2 GLU 26 2HB GLU 26 -2.125 -17.006 0.632 183 HB3 GLU 26 3HB GLU 26 -3.754 -16.735 1.239 184 HG2 GLU 26 2HG GLU 26 -4.432 -15.842 -0.971 185 HG3 GLU 26 3HG GLU 26 -2.797 -16.131 -1.587 186 H GLY 27 H GLY 27 -5.082 -15.042 1.731 187 HA2 GLY 27 2HA GLY 27 -6.079 -14.832 3.800 188 HA3 GLY 27 3HA GLY 27 -4.496 -14.539 4.527 189 H GLU 28 H GLU 28 -3.539 -12.264 3.614 190 HA GLU 28 HA GLU 28 -5.203 -10.314 4.914 191 HB2 GLU 28 2HB GLU 28 -2.631 -10.177 3.319 192 HB3 GLU 28 3HB GLU 28 -3.288 -8.790 4.170 193 HG2 GLU 28 2HG GLU 28 -2.776 -11.367 5.704 194 HG3 GLU 28 3HG GLU 28 -1.440 -10.288 5.312 195 H ASP 29 H ASP 29 -6.240 -8.512 4.054 196 HA ASP 29 HA ASP 29 -7.230 -8.668 1.352 197 HB2 ASP 29 2HB ASP 29 -7.378 -6.480 3.465 198 HB3 ASP 29 3HB ASP 29 -8.234 -6.432 1.919 199 H VAL 30 H VAL 30 -6.873 -7.159 -0.318 200 HA VAL 30 HA VAL 30 -4.370 -5.552 -0.120 201 HB VAL 30 HB VAL 30 -3.969 -6.046 -2.499 202 HG11 VAL 30 1HG1 VAL 30 -4.138 -8.539 -0.747 203 HG12 VAL 30 2HG1 VAL 30 -3.081 -8.301 -2.150 204 HG13 VAL 30 3HG1 VAL 30 -2.845 -7.324 -0.690 205 HG21 VAL 30 1HG2 VAL 30 -5.074 -7.936 -3.601 206 HG22 VAL 30 2HG2 VAL 30 -6.150 -8.166 -2.213 207 HG23 VAL 30 3HG2 VAL 30 -6.270 -6.693 -3.203 208 H ARG 31 H ARG 31 -4.378 -3.541 -1.012 209 HA ARG 31 HA ARG 31 -6.853 -2.493 -2.245 210 HB2 ARG 31 2HB ARG 31 -7.054 -2.362 0.255 211 HB3 ARG 31 3HB ARG 31 -5.575 -1.418 0.313 212 HG2 ARG 31 2HG ARG 31 -6.710 0.477 -0.099 213 HG3 ARG 31 3HG ARG 31 -7.288 -0.161 -1.628 214 HD2 ARG 31 2HD ARG 31 -8.861 -1.351 0.521 215 HD3 ARG 31 3HD ARG 31 -8.766 0.382 0.767 216 HE ARG 31 HE ARG 31 -10.059 0.745 -1.058 217 HH11 ARG 31 1HH1 ARG 31 -11.325 -1.444 -3.512 218 HH12 ARG 31 2HH1 ARG 31 -11.338 0.169 -2.897 219 HH21 ARG 31 1HH2 ARG 31 -9.924 -3.090 -2.481 220 HH22 ARG 31 2HH2 ARG 31 -9.036 -2.653 -1.078 221 H ARG 32 H ARG 32 -5.259 -2.539 -4.060 222 HA ARG 32 HA ARG 32 -2.888 -0.919 -3.853 223 HB2 ARG 32 2HB ARG 32 -2.737 -1.082 -6.311 224 HB3 ARG 32 3HB ARG 32 -2.937 -2.648 -5.523 225 HG2 ARG 32 2HG ARG 32 -4.507 -3.022 -7.035 226 HG3 ARG 32 3HG ARG 32 -5.571 -2.015 -6.069 227 HD2 ARG 32 2HD ARG 32 -4.814 -0.030 -7.500 228 HD3 ARG 32 3HD ARG 32 -3.900 -1.176 -8.477 229 HE ARG 32 HE ARG 32 -5.814 -1.950 -9.448 230 HH11 ARG 32 1HH1 ARG 32 -9.193 -1.104 -8.909 231 HH12 ARG 32 2HH1 ARG 32 -8.088 -1.966 -9.912 232 HH21 ARG 32 1HH2 ARG 32 -8.376 0.106 -7.024 233 HH22 ARG 32 2HH2 ARG 32 -6.689 0.058 -6.662 234 H LEU 33 H LEU 33 -2.690 1.167 -3.902 235 HA LEU 33 HA LEU 33 -4.784 2.989 -3.968 236 HB2 LEU 33 2HB LEU 33 -1.800 3.319 -4.608 237 HB3 LEU 33 3HB LEU 33 -2.866 4.635 -4.164 238 HG LEU 33 HG LEU 33 -1.940 2.320 -2.424 239 HD11 LEU 33 1HD1 LEU 33 -0.348 4.129 -2.646 240 HD12 LEU 33 2HD1 LEU 33 -1.572 5.331 -2.258 241 HD13 LEU 33 3HD1 LEU 33 -1.054 4.174 -1.018 242 HD21 LEU 33 1HD2 LEU 33 -4.068 2.443 -1.587 243 HD22 LEU 33 2HD2 LEU 33 -3.323 3.768 -0.664 244 HD23 LEU 33 3HD2 LEU 33 -4.318 4.120 -2.077 245 HA PRO 34 HA PRO 34 -5.325 3.818 -8.328 246 HB2 PRO 34 2HB PRO 34 -5.747 6.533 -8.370 247 HB3 PRO 34 3HB PRO 34 -6.950 5.358 -7.755 248 HG2 PRO 34 2HG PRO 34 -4.932 6.962 -6.153 249 HG3 PRO 34 3HG PRO 34 -6.693 6.791 -5.853 250 HD2 PRO 34 2HD PRO 34 -4.904 5.263 -4.530 251 HD3 PRO 34 3HD PRO 34 -6.437 4.553 -5.104 252 H CYS 35 H CYS 35 -2.584 4.884 -6.508 253 HA CYS 35 HA CYS 35 -1.270 6.242 -8.852 254 HB2 CYS 35 2HB CYS 35 -0.063 7.374 -7.303 255 HB3 CYS 35 3HB CYS 35 -1.624 7.310 -6.504 256 H MET 36 H MET 36 -1.767 3.321 -8.710 257 HA MET 36 HA MET 36 -0.742 1.335 -8.776 258 HB2 MET 36 2HB MET 36 1.021 3.212 -10.293 259 HB3 MET 36 3HB MET 36 1.730 1.645 -9.925 260 HG2 MET 36 2HG MET 36 -1.049 1.570 -11.010 261 HG3 MET 36 3HG MET 36 0.230 2.109 -12.101 262 HE1 MET 36 1HE MET 36 -1.275 -0.452 -13.089 263 HE2 MET 36 2HE MET 36 0.115 0.394 -13.813 264 HE3 MET 36 3HE MET 36 0.173 -1.365 -13.577 265 H HIS 37 H HIS 37 -0.744 1.261 -6.417 266 HA HIS 37 HA HIS 37 1.968 0.601 -5.531 267 HB2 HIS 37 1HB HIS 37 0.512 3.038 -4.618 268 HB3 HIS 37 2HB HIS 37 1.109 2.003 -3.326 269 HD2 HIS 37 2HD HIS 37 3.737 1.408 -3.284 270 HE1 HIS 37 1HE HIS 37 4.994 4.753 -5.608 271 HE2 HIS 37 2HE HIS 37 5.778 2.863 -4.068 272 H LEU 38 H LEU 38 1.589 -1.509 -4.930 273 HA LEU 38 HA LEU 38 -0.983 -2.402 -3.907 274 HB2 LEU 38 2HB LEU 38 0.312 -3.986 -5.152 275 HB3 LEU 38 3HB LEU 38 1.775 -3.662 -4.222 276 HG LEU 38 HG LEU 38 -0.501 -4.588 -2.545 277 HD11 LEU 38 1HD1 LEU 38 -0.997 -5.924 -4.528 278 HD12 LEU 38 2HD1 LEU 38 0.695 -6.470 -4.604 279 HD13 LEU 38 3HD1 LEU 38 -0.333 -6.938 -3.234 280 HD21 LEU 38 1HD2 LEU 38 2.335 -5.652 -2.922 281 HD22 LEU 38 2HD2 LEU 38 1.904 -4.378 -1.771 282 HD23 LEU 38 3HD2 LEU 38 1.237 -6.006 -1.567 283 H PHE 39 H PHE 39 -1.601 -2.319 -1.798 284 HA PHE 39 HA PHE 39 0.420 -2.605 0.266 285 HB2 PHE 39 2HB PHE 39 -1.560 -0.298 0.155 286 HB3 PHE 39 3HB PHE 39 -0.733 -0.804 1.626 287 HD1 PHE 39 1HD PHE 39 2.036 -1.184 0.986 288 HD2 PHE 39 2HD PHE 39 -0.698 1.753 -0.576 289 HE1 PHE 39 1HE PHE 39 3.918 0.372 0.612 290 HE2 PHE 39 2HE PHE 39 1.215 3.297 -0.988 291 HZ PHE 39 HZ PHE 39 3.520 2.604 -0.394 292 H HIS 40 H HIS 40 -0.543 -3.465 2.153 293 HA HIS 40 HA HIS 40 -2.914 -5.130 1.809 294 HB2 HIS 40 1HB HIS 40 -1.336 -6.088 3.123 295 HB3 HIS 40 2HB HIS 40 -0.741 -4.604 3.773 296 HD2 HIS 40 2HD HIS 40 -4.213 -6.317 4.238 297 HE1 HIS 40 1HE HIS 40 -2.123 -6.583 7.881 298 HE2 HIS 40 2HE HIS 40 -4.221 -7.172 6.692 299 H GLN 41 H GLN 41 -4.964 -4.787 2.892 300 HA GLN 41 HA GLN 41 -5.722 -2.112 2.930 301 HB2 GLN 41 2HB GLN 41 -7.224 -4.062 2.613 302 HB3 GLN 41 3HB GLN 41 -7.183 -4.362 4.365 303 HG2 GLN 41 2HG GLN 41 -8.314 -2.317 4.846 304 HG3 GLN 41 3HG GLN 41 -7.947 -1.639 3.256 305 HE21 GLN 41 1HE2 GLN 41 -10.351 -3.342 5.075 306 HE22 GLN 41 2HE2 GLN 41 -11.359 -3.751 3.698 307 H VAL 42 H VAL 42 -4.672 -4.083 5.784 308 HA VAL 42 HA VAL 42 -5.248 -1.827 7.549 309 HB VAL 42 HB VAL 42 -3.416 -4.176 8.082 310 HG11 VAL 42 1HG1 VAL 42 -4.881 -2.263 9.944 311 HG12 VAL 42 2HG1 VAL 42 -3.972 -3.702 10.462 312 HG13 VAL 42 3HG1 VAL 42 -3.126 -2.353 9.695 313 HG21 VAL 42 1HG2 VAL 42 -6.403 -3.856 8.640 314 HG22 VAL 42 2HG2 VAL 42 -5.688 -5.013 7.499 315 HG23 VAL 42 3HG2 VAL 42 -5.391 -5.191 9.230 316 H CYS 43 H CYS 43 -2.351 -2.898 5.590 317 HA CYS 43 HA CYS 43 -0.376 -1.237 6.902 318 HB2 CYS 43 2HB CYS 43 -0.828 -2.494 4.187 319 HB3 CYS 43 3HB CYS 43 0.404 -1.301 4.391 320 H VAL 44 H VAL 44 -2.291 -0.663 3.964 321 HA VAL 44 HA VAL 44 -1.411 1.883 3.505 322 HB VAL 44 HB VAL 44 -2.707 0.544 1.916 323 HG11 VAL 44 1HG1 VAL 44 -5.118 0.485 1.871 324 HG12 VAL 44 2HG1 VAL 44 -4.523 -0.234 3.363 325 HG13 VAL 44 3HG1 VAL 44 -5.231 1.396 3.385 326 HG21 VAL 44 1HG2 VAL 44 -4.005 2.359 0.898 327 HG22 VAL 44 2HG2 VAL 44 -3.860 3.317 2.380 328 HG23 VAL 44 3HG2 VAL 44 -2.400 2.906 1.442 329 H ASP 45 H ASP 45 -4.267 0.951 5.526 330 HA ASP 45 HA ASP 45 -4.751 3.714 6.280 331 HB2 ASP 45 2HB ASP 45 -5.982 1.035 6.923 332 HB3 ASP 45 3HB ASP 45 -6.383 2.437 7.913 333 H GLN 46 H GLN 46 -2.081 2.590 6.891 334 HA GLN 46 HA GLN 46 -1.996 3.563 9.686 335 HB2 GLN 46 2HB GLN 46 -1.631 1.137 9.609 336 HB3 GLN 46 3HB GLN 46 -0.264 1.343 8.516 337 HG2 GLN 46 2HG GLN 46 -0.218 2.858 11.121 338 HG3 GLN 46 3HG GLN 46 0.005 1.110 11.168 339 HE21 GLN 46 1HE2 GLN 46 1.499 4.167 10.067 340 HE22 GLN 46 2HE2 GLN 46 3.053 3.396 9.740 341 H ARG 47 H ARG 47 -0.315 3.354 6.492 342 HA ARG 47 HA ARG 47 1.443 5.591 7.413 343 HB2 ARG 47 2HB ARG 47 2.512 3.696 6.505 344 HB3 ARG 47 3HB ARG 47 1.616 3.802 4.972 345 HG2 ARG 47 2HG ARG 47 2.832 5.949 4.511 346 HG3 ARG 47 3HG ARG 47 3.661 5.770 6.077 347 HD2 ARG 47 2HD ARG 47 4.378 3.422 5.200 348 HD3 ARG 47 3HD ARG 47 3.878 4.010 3.602 349 HE ARG 47 HE ARG 47 5.600 5.910 4.817 350 HH11 ARG 47 1HH1 ARG 47 8.636 4.722 3.504 351 HH12 ARG 47 2HH1 ARG 47 7.843 6.037 4.288 352 HH21 ARG 47 1HH2 ARG 47 7.437 2.729 3.024 353 HH22 ARG 47 2HH2 ARG 47 5.805 2.583 3.477 354 H LEU 48 H LEU 48 -1.287 5.030 5.257 355 HA LEU 48 HA LEU 48 -0.970 7.777 4.149 356 HB2 LEU 48 2HB LEU 48 -2.855 5.506 3.392 357 HB3 LEU 48 3HB LEU 48 -2.820 7.091 2.648 358 HG LEU 48 HG LEU 48 -1.760 5.478 1.228 359 HD11 LEU 48 1HD1 LEU 48 0.350 7.354 2.364 360 HD12 LEU 48 2HD1 LEU 48 0.328 6.628 0.748 361 HD13 LEU 48 3HD1 LEU 48 -0.919 7.803 1.200 362 HD21 LEU 48 1HD2 LEU 48 0.535 5.070 3.162 363 HD22 LEU 48 2HD2 LEU 48 -0.853 3.968 3.096 364 HD23 LEU 48 3HD2 LEU 48 0.166 4.207 1.668 365 H ILE 49 H ILE 49 -1.584 7.213 7.005 366 HA ILE 49 HA ILE 49 -4.381 7.970 7.278 367 HB ILE 49 HB ILE 49 -3.935 8.017 9.663 368 HG12 ILE 49 2HG1 ILE 49 -1.589 6.829 10.183 369 HG13 ILE 49 3HG1 ILE 49 -1.049 7.812 8.831 370 HG21 ILE 49 1HG2 ILE 49 -4.567 5.934 8.502 371 HG22 ILE 49 2HG2 ILE 49 -2.855 5.541 8.274 372 HG23 ILE 49 3HG2 ILE 49 -3.545 5.607 9.907 373 HD11 ILE 49 1HD1 ILE 49 -2.408 8.794 11.384 374 HD12 ILE 49 2HD1 ILE 49 -0.695 8.977 10.956 375 HD13 ILE 49 3HD1 ILE 49 -1.930 9.846 10.036 376 H THR 50 H THR 50 -5.138 9.963 7.759 377 HA THR 50 HA THR 50 -5.287 12.179 7.464 378 HB THR 50 HB THR 50 -2.328 12.400 8.128 379 HG1 THR 50 1HG THR 50 -3.416 11.342 9.748 380 HG21 THR 50 1HG2 THR 50 -4.647 14.367 8.302 381 HG22 THR 50 2HG2 THR 50 -3.010 14.638 8.932 382 HG23 THR 50 3HG2 THR 50 -3.263 14.467 7.185 383 H ASN 51 H ASN 51 -2.071 11.378 6.087 384 HA ASN 51 HA ASN 51 -2.333 13.241 3.920 385 HB2 ASN 51 2HB ASN 51 -0.238 12.205 5.156 386 HB3 ASN 51 3HB ASN 51 -0.404 10.896 3.979 387 HD21 ASN 51 1HD2 ASN 51 1.881 12.647 4.187 388 HD22 ASN 51 2HD2 ASN 51 1.920 13.612 2.723 389 H LYS 52 H LYS 52 -2.273 12.625 1.554 390 HA LYS 52 HA LYS 52 -2.866 9.912 0.796 391 HB2 LYS 52 2HB LYS 52 -5.024 12.055 0.528 392 HB3 LYS 52 3HB LYS 52 -4.847 10.797 -0.681 393 HG2 LYS 52 2HG LYS 52 -6.189 9.526 0.535 394 HG3 LYS 52 3HG LYS 52 -4.810 9.267 1.590 395 HD2 LYS 52 2HD LYS 52 -5.603 11.458 2.798 396 HD3 LYS 52 3HD LYS 52 -7.100 11.248 1.886 397 HE2 LYS 52 2HE LYS 52 -7.762 9.807 3.498 398 HE3 LYS 52 3HE LYS 52 -6.594 8.674 2.807 399 HZ1 LYS 52 1HZ LYS 52 -4.912 9.534 4.274 400 HZ2 LYS 52 2HZ LYS 52 -5.965 10.619 4.924 401 HZ3 LYS 52 3HZ LYS 52 -6.173 8.972 5.145 402 H LYS 53 H LYS 53 -0.692 10.444 -0.119 403 HA LYS 53 HA LYS 53 -1.120 11.304 -2.796 404 HB2 LYS 53 2HB LYS 53 0.382 13.156 -2.980 405 HB3 LYS 53 3HB LYS 53 -0.913 13.492 -1.821 406 HG2 LYS 53 2HG LYS 53 0.835 12.746 -0.012 407 HG3 LYS 53 3HG LYS 53 2.019 13.055 -1.288 408 HD2 LYS 53 2HD LYS 53 -0.015 15.015 -0.113 409 HD3 LYS 53 3HD LYS 53 1.738 15.053 0.051 410 HE2 LYS 53 2HE LYS 53 1.470 16.637 -1.586 411 HE3 LYS 53 3HE LYS 53 1.747 15.203 -2.576 412 HZ1 LYS 53 1HZ LYS 53 -0.129 16.521 -3.381 413 HZ2 LYS 53 2HZ LYS 53 -0.696 15.081 -2.909 414 HZ3 LYS 53 3HZ LYS 53 -0.922 16.369 -1.958 415 H CYS 54 H CYS 54 0.494 10.538 -4.178 416 HA CYS 54 HA CYS 54 2.526 8.618 -3.018 417 HB2 CYS 54 2HB CYS 54 1.002 8.958 -5.554 418 HB3 CYS 54 3HB CYS 54 2.733 8.612 -5.710 419 HA PRO 55 HA PRO 55 5.653 11.722 -4.041 420 HB2 PRO 55 2HB PRO 55 7.896 10.133 -3.994 421 HB3 PRO 55 3HB PRO 55 7.046 10.697 -2.529 422 HG2 PRO 55 2HG PRO 55 6.840 7.994 -3.866 423 HG3 PRO 55 3HG PRO 55 6.938 8.379 -2.128 424 HD2 PRO 55 2HD PRO 55 4.574 7.841 -3.449 425 HD3 PRO 55 3HD PRO 55 4.670 8.913 -2.017 426 H ILE 56 H ILE 56 6.645 8.633 -5.679 427 HA ILE 56 HA ILE 56 7.143 10.242 -8.043 428 HB ILE 56 HB ILE 56 8.751 8.581 -7.093 429 HG12 ILE 56 2HG1 ILE 56 9.410 7.490 -9.260 430 HG13 ILE 56 3HG1 ILE 56 7.979 8.174 -10.011 431 HG21 ILE 56 1HG2 ILE 56 6.988 6.408 -8.276 432 HG22 ILE 56 2HG2 ILE 56 8.506 6.221 -7.392 433 HG23 ILE 56 3HG2 ILE 56 7.058 6.791 -6.546 434 HD11 ILE 56 1HD1 ILE 56 8.789 10.470 -9.431 435 HD12 ILE 56 2HD1 ILE 56 10.233 9.740 -8.687 436 HD13 ILE 56 3HD1 ILE 56 9.941 9.573 -10.430 437 H CYS 57 H CYS 57 4.519 10.183 -7.496 438 HA CYS 57 HA CYS 57 3.362 9.029 -9.982 439 HB2 CYS 57 2HB CYS 57 1.618 8.790 -7.612 440 HB3 CYS 57 3HB CYS 57 1.599 7.913 -9.117 441 H ARG 58 H ARG 58 2.925 11.185 -7.044 442 HA ARG 58 HA ARG 58 1.977 13.162 -6.815 443 HB2 ARG 58 2HB ARG 58 3.807 13.791 -8.410 444 HB3 ARG 58 3HB ARG 58 2.633 13.690 -9.733 445 HG2 ARG 58 2HG ARG 58 1.262 15.468 -8.631 446 HG3 ARG 58 3HG ARG 58 2.425 15.530 -7.297 447 HD2 ARG 58 2HD ARG 58 4.166 16.320 -8.774 448 HD3 ARG 58 3HD ARG 58 3.157 16.018 -10.209 449 HE ARG 58 HE ARG 58 1.674 17.750 -8.650 450 HH11 ARG 58 1HH1 ARG 58 2.950 20.810 -9.860 451 HH12 ARG 58 2HH1 ARG 58 1.626 20.043 -9.067 452 HH21 ARG 58 1HH2 ARG 58 4.829 19.520 -10.537 453 HH22 ARG 58 2HH2 ARG 58 4.824 17.821 -10.220 454 H VAL 59 H VAL 59 0.289 11.257 -6.908 455 HA VAL 59 HA VAL 59 -2.092 12.466 -8.154 456 HB VAL 59 HB VAL 59 -1.352 9.507 -7.984 457 HG11 VAL 59 1HG1 VAL 59 -3.621 9.066 -8.935 458 HG12 VAL 59 2HG1 VAL 59 -3.702 9.725 -7.300 459 HG13 VAL 59 3HG1 VAL 59 -4.040 10.776 -8.694 460 HG21 VAL 59 1HG2 VAL 59 -0.505 10.659 -9.998 461 HG22 VAL 59 2HG2 VAL 59 -1.809 9.547 -10.426 462 HG23 VAL 59 3HG2 VAL 59 -2.126 11.295 -10.334 463 H ASP 60 H ASP 60 -3.694 12.703 -6.554 464 HA ASP 60 HA ASP 60 -2.797 12.191 -3.801 465 HB2 ASP 60 2HB ASP 60 -5.122 13.696 -5.016 466 HB3 ASP 60 3HB ASP 60 -5.102 13.239 -3.310 467 H ILE 61 H ILE 61 -3.590 10.542 -2.610 468 HA ILE 61 HA ILE 61 -4.445 8.252 -4.122 469 HB ILE 61 HB ILE 61 -3.889 8.678 -1.157 470 HG12 ILE 61 2HG1 ILE 61 -1.956 9.393 -2.261 471 HG13 ILE 61 3HG1 ILE 61 -1.595 7.771 -1.718 472 HG21 ILE 61 1HG2 ILE 61 -3.256 6.348 -1.063 473 HG22 ILE 61 2HG2 ILE 61 -4.957 6.530 -1.515 474 HG23 ILE 61 3HG2 ILE 61 -3.754 6.119 -2.761 475 HD11 ILE 61 1HD1 ILE 61 -0.786 8.134 -3.960 476 HD12 ILE 61 2HD1 ILE 61 -2.155 6.990 -4.050 477 HD13 ILE 61 3HD1 ILE 61 -2.359 8.691 -4.521 478 H GLU 62 H GLU 62 -6.096 10.616 -2.333 479 HA GLU 62 HA GLU 62 -8.218 8.995 -1.267 480 HB2 GLU 62 2HB GLU 62 -7.425 11.293 -0.437 481 HB3 GLU 62 3HB GLU 62 -8.172 12.007 -1.858 482 HG2 GLU 62 2HG GLU 62 -9.578 12.123 0.220 483 HG3 GLU 62 3HG GLU 62 -10.379 11.306 -1.126 484 H ALA 63 H ALA 63 -10.390 8.832 -2.065 485 HA ALA 63 HA ALA 63 -10.779 9.648 -4.912 486 HB1 ALA 63 1HB ALA 63 -11.227 6.843 -3.811 487 HB2 ALA 63 2HB ALA 63 -11.593 7.402 -5.459 488 HB3 ALA 63 3HB ALA 63 -9.908 7.334 -4.902 489 H GLN 64 H GLN 64 -11.735 11.014 -2.812 490 HA GLN 64 HA GLN 64 -13.552 12.003 -1.992 491 HB2 GLN 64 2HB GLN 64 -14.500 11.012 -4.461 492 HB3 GLN 64 3HB GLN 64 -15.720 10.518 -3.293 493 HG2 GLN 64 2HG GLN 64 -16.392 12.654 -4.023 494 HG3 GLN 64 3HG GLN 64 -15.676 12.944 -2.433 495 HE21 GLN 64 1HE2 GLN 64 -15.602 13.854 -5.767 496 HE22 GLN 64 2HE2 GLN 64 -14.090 14.748 -5.689 497 H LEU 65 H LEU 65 -13.530 11.486 0.125 498 HA LEU 65 HA LEU 65 -15.445 9.583 1.043 499 HB2 LEU 65 2HB LEU 65 -12.975 8.393 0.570 500 HB3 LEU 65 3HB LEU 65 -12.861 8.795 2.271 501 HG LEU 65 HG LEU 65 -13.672 6.587 2.090 502 HD11 LEU 65 1HD1 LEU 65 -15.759 6.660 3.321 503 HD12 LEU 65 2HD1 LEU 65 -14.707 7.979 3.870 504 HD13 LEU 65 3HD1 LEU 65 -16.078 8.320 2.792 505 HD21 LEU 65 1HD2 LEU 65 -15.995 7.559 0.384 506 HD22 LEU 65 2HD2 LEU 65 -14.564 6.708 -0.221 507 HD23 LEU 65 3HD2 LEU 65 -15.667 5.896 0.908 508 HA PRO 66 HA PRO 66 -13.775 11.858 4.811 509 HB2 PRO 66 2HB PRO 66 -11.573 13.469 4.791 510 HB3 PRO 66 3HB PRO 66 -11.435 11.684 4.898 511 HG2 PRO 66 2HG PRO 66 -11.262 13.403 2.393 512 HG3 PRO 66 3HG PRO 66 -10.082 12.178 2.970 513 HD2 PRO 66 2HD PRO 66 -11.969 11.547 1.150 514 HD3 PRO 66 3HD PRO 66 -11.536 10.402 2.454 515 H SER 67 H SER 67 -13.874 14.147 5.634 516 HA SER 67 HA SER 67 -14.672 16.243 5.655 517 HB2 SER 67 2HB SER 67 -14.171 16.455 2.671 518 HB3 SER 67 3HB SER 67 -14.295 17.754 3.866 519 HG SER 67 HG SER 67 -12.284 15.811 3.548 520 H GLU 68 H GLU 68 -16.553 14.148 5.528 521 HA GLU 68 HA GLU 68 -18.774 15.828 4.574 522 HB2 GLU 68 2HB GLU 68 -18.261 13.959 2.859 523 HB3 GLU 68 3HB GLU 68 -18.862 12.834 4.084 524 HG2 GLU 68 2HG GLU 68 -20.885 14.599 4.203 525 HG3 GLU 68 3HG GLU 68 -20.297 15.062 2.609 526 H SER 69 H SER 69 -18.587 16.340 6.915 527 HA SER 69 HA SER 69 -20.581 15.028 8.435 528 HB2 SER 69 2HB SER 69 -17.662 14.655 9.217 529 HB3 SER 69 3HB SER 69 -18.933 14.780 10.447 530 HG SER 69 HG SER 69 -19.240 12.980 8.310 Start of MODEL 14 1 H1 MET 1 H1 MET 1 19.858 -33.750 -11.971 2 H2 MET 1 H2 MET 1 20.623 -34.326 -10.633 3 H3 MET 1 H3 MET 1 20.857 -32.771 -11.101 4 HA MET 1 HA MET 1 22.771 -34.049 -11.709 5 HB2 MET 1 2HB MET 1 20.672 -35.781 -13.060 6 HB3 MET 1 3HB MET 1 22.403 -35.903 -13.424 7 HG2 MET 1 2HG MET 1 22.969 -36.539 -11.224 8 HG3 MET 1 3HG MET 1 21.376 -36.145 -10.580 9 HE1 MET 1 1HE MET 1 19.668 -37.864 -10.036 10 HE2 MET 1 2HE MET 1 19.113 -37.402 -11.665 11 HE3 MET 1 3HE MET 1 19.183 -39.116 -11.197 12 H LYS 2 H LYS 2 21.756 -31.494 -12.441 13 HA LYS 2 HA LYS 2 22.978 -31.116 -14.902 14 HB2 LYS 2 2HB LYS 2 21.078 -30.272 -16.236 15 HB3 LYS 2 3HB LYS 2 20.948 -31.997 -15.958 16 HG2 LYS 2 2HG LYS 2 19.286 -31.578 -14.134 17 HG3 LYS 2 3HG LYS 2 19.407 -29.833 -14.456 18 HD2 LYS 2 2HD LYS 2 18.688 -30.239 -16.806 19 HD3 LYS 2 3HD LYS 2 18.503 -31.969 -16.440 20 HE2 LYS 2 2HE LYS 2 16.788 -31.480 -14.767 21 HE3 LYS 2 3HE LYS 2 17.054 -29.737 -14.949 22 HZ1 LYS 2 1HZ LYS 2 16.020 -31.520 -17.064 23 HZ2 LYS 2 2HZ LYS 2 15.123 -30.470 -16.169 24 HZ3 LYS 2 3HZ LYS 2 16.259 -29.895 -17.204 25 H GLN 3 H GLN 3 22.365 -28.597 -15.537 26 HA GLN 3 HA GLN 3 21.591 -27.045 -13.179 27 HB2 GLN 3 2HB GLN 3 23.541 -25.520 -13.535 28 HB3 GLN 3 3HB GLN 3 24.007 -27.103 -12.906 29 HG2 GLN 3 2HG GLN 3 24.794 -27.822 -15.101 30 HG3 GLN 3 3HG GLN 3 24.162 -26.354 -15.861 31 HE21 GLN 3 1HE2 GLN 3 26.212 -25.703 -16.700 32 HE22 GLN 3 2HE2 GLN 3 27.451 -25.116 -15.598 33 H ASP 4 H ASP 4 20.559 -25.052 -13.901 34 HA ASP 4 HA ASP 4 20.944 -24.117 -16.578 35 HB2 ASP 4 2HB ASP 4 19.398 -26.062 -17.030 36 HB3 ASP 4 3HB ASP 4 18.190 -25.299 -16.000 37 H GLY 5 H GLY 5 21.505 -22.356 -15.072 38 HA2 GLY 5 2HA GLY 5 21.108 -20.464 -13.866 39 HA3 GLY 5 3HA GLY 5 19.554 -20.386 -14.722 40 H GLU 6 H GLU 6 18.277 -19.746 -13.023 41 HA GLU 6 HA GLU 6 17.299 -21.855 -11.393 42 HB2 GLU 6 2HB GLU 6 19.243 -20.675 -10.009 43 HB3 GLU 6 3HB GLU 6 18.040 -19.396 -9.777 44 HG2 GLU 6 2HG GLU 6 16.458 -21.107 -8.853 45 HG3 GLU 6 3HG GLU 6 17.665 -22.363 -9.138 46 H GLU 7 H GLU 7 15.099 -21.091 -10.461 47 HA GLU 7 HA GLU 7 13.922 -19.142 -12.315 48 HB2 GLU 7 2HB GLU 7 12.723 -20.879 -10.119 49 HB3 GLU 7 3HB GLU 7 11.817 -19.665 -11.043 50 HG2 GLU 7 2HG GLU 7 12.734 -20.866 -13.159 51 HG3 GLU 7 3HG GLU 7 13.102 -22.208 -12.067 52 H GLY 8 H GLY 8 15.247 -17.332 -11.583 53 HA2 GLY 8 2HA GLY 8 15.135 -15.211 -10.629 54 HA3 GLY 8 3HA GLY 8 13.574 -15.664 -9.913 55 H THR 9 H THR 9 13.620 -15.499 -7.721 56 HA THR 9 HA THR 9 15.193 -16.912 -6.008 57 HB THR 9 HB THR 9 17.156 -15.634 -6.636 58 HG1 THR 9 1HG THR 9 17.157 -16.167 -4.569 59 HG21 THR 9 1HG2 THR 9 16.216 -13.589 -7.503 60 HG22 THR 9 2HG2 THR 9 15.559 -13.146 -5.917 61 HG23 THR 9 3HG2 THR 9 17.316 -13.210 -6.166 62 H GLU 10 H GLU 10 15.110 -14.393 -4.151 63 HA GLU 10 HA GLU 10 12.687 -14.748 -2.856 64 HB2 GLU 10 2HB GLU 10 14.941 -13.393 -2.338 65 HB3 GLU 10 3HB GLU 10 14.050 -12.038 -3.016 66 HG2 GLU 10 2HG GLU 10 13.763 -11.927 -0.664 67 HG3 GLU 10 3HG GLU 10 12.223 -12.535 -1.276 68 H GLU 11 H GLU 11 10.781 -13.313 -2.673 69 HA GLU 11 HA GLU 11 9.414 -12.562 -5.008 70 HB2 GLU 11 2HB GLU 11 9.390 -11.424 -2.191 71 HB3 GLU 11 3HB GLU 11 8.312 -10.828 -3.447 72 HG2 GLU 11 2HG GLU 11 7.210 -13.016 -3.578 73 HG3 GLU 11 3HG GLU 11 8.294 -13.630 -2.298 74 H ASP 12 H ASP 12 9.058 -10.518 -6.041 75 HA ASP 12 HA ASP 12 10.824 -8.279 -5.206 76 HB2 ASP 12 2HB ASP 12 11.793 -9.173 -7.271 77 HB3 ASP 12 3HB ASP 12 10.231 -9.001 -8.091 78 H THR 13 H THR 13 9.391 -7.073 -4.221 79 HA THR 13 HA THR 13 7.396 -6.130 -3.588 80 HB THR 13 HB THR 13 7.489 -5.159 -6.458 81 HG1 THR 13 1HG THR 13 9.609 -5.194 -5.832 82 HG21 THR 13 1HG2 THR 13 7.106 -3.743 -3.771 83 HG22 THR 13 2HG2 THR 13 7.061 -2.979 -5.374 84 HG23 THR 13 3HG2 THR 13 5.795 -4.127 -4.908 85 H GLU 14 H GLU 14 6.752 -8.834 -4.244 86 HA GLU 14 HA GLU 14 4.493 -8.721 -6.069 87 HB2 GLU 14 2HB GLU 14 6.353 -10.633 -5.434 88 HB3 GLU 14 3HB GLU 14 4.954 -11.212 -4.516 89 HG2 GLU 14 2HG GLU 14 3.570 -11.157 -6.565 90 HG3 GLU 14 3HG GLU 14 4.878 -10.396 -7.464 91 H GLU 15 H GLU 15 4.685 -10.032 -2.651 92 HA GLU 15 HA GLU 15 2.381 -8.224 -2.060 93 HB2 GLU 15 2HB GLU 15 2.321 -11.271 -1.973 94 HB3 GLU 15 3HB GLU 15 1.371 -10.308 -0.867 95 HG2 GLU 15 2HG GLU 15 -0.162 -10.681 -2.497 96 HG3 GLU 15 3HG GLU 15 0.387 -9.051 -2.829 97 H LYS 16 H LYS 16 4.446 -7.318 -1.172 98 HA LYS 16 HA LYS 16 4.867 -8.265 1.653 99 HB2 LYS 16 2HB LYS 16 6.800 -6.687 -0.102 100 HB3 LYS 16 3HB LYS 16 7.106 -7.373 1.503 101 HG2 LYS 16 2HG LYS 16 6.544 -9.642 0.477 102 HG3 LYS 16 3HG LYS 16 6.557 -8.894 -1.084 103 HD2 LYS 16 2HD LYS 16 8.996 -8.659 0.701 104 HD3 LYS 16 3HD LYS 16 8.650 -10.171 -0.143 105 HE2 LYS 16 2HE LYS 16 8.504 -8.927 -2.298 106 HE3 LYS 16 3HE LYS 16 9.037 -7.458 -1.459 107 HZ1 LYS 16 1HZ LYS 16 11.096 -8.638 -0.896 108 HZ2 LYS 16 2HZ LYS 16 10.566 -9.992 -1.665 109 HZ3 LYS 16 3HZ LYS 16 10.876 -8.690 -2.536 110 H CYS 17 H CYS 17 3.869 -6.944 3.093 111 HA CYS 17 HA CYS 17 2.826 -4.231 2.519 112 HB2 CYS 17 2HB CYS 17 1.750 -5.974 3.999 113 HB3 CYS 17 3HB CYS 17 3.090 -5.776 5.122 114 H THR 18 H THR 18 4.567 -2.746 2.108 115 HA THR 18 HA THR 18 6.850 -2.894 4.010 116 HB THR 18 HB THR 18 8.001 -1.381 2.577 117 HG1 THR 18 1HG THR 18 6.384 -0.066 1.972 118 HG21 THR 18 1HG2 THR 18 6.610 -3.431 0.803 119 HG22 THR 18 2HG2 THR 18 8.159 -2.632 0.497 120 HG23 THR 18 3HG2 THR 18 8.006 -3.759 1.859 121 H ILE 19 H ILE 19 4.018 -2.037 4.734 122 HA ILE 19 HA ILE 19 4.727 0.613 5.848 123 HB ILE 19 HB ILE 19 2.090 -0.763 5.666 124 HG12 ILE 19 2HG1 ILE 19 3.586 0.906 3.707 125 HG13 ILE 19 3HG1 ILE 19 2.405 -0.409 3.490 126 HG21 ILE 19 1HG2 ILE 19 1.712 1.918 6.130 127 HG22 ILE 19 2HG2 ILE 19 1.581 0.579 7.277 128 HG23 ILE 19 3HG2 ILE 19 3.080 1.477 7.183 129 HD11 ILE 19 1HD1 ILE 19 0.738 1.402 4.261 130 HD12 ILE 19 2HD1 ILE 19 2.012 2.455 3.581 131 HD13 ILE 19 3HD1 ILE 19 1.277 1.167 2.596 132 H CYS 20 H CYS 20 2.871 -2.412 6.723 133 HA CYS 20 HA CYS 20 3.627 -2.204 9.590 134 HB2 CYS 20 2HB CYS 20 2.193 -4.083 9.841 135 HB3 CYS 20 3HB CYS 20 1.362 -2.875 8.850 136 H LEU 21 H LEU 21 5.352 -3.159 6.903 137 HA LEU 21 HA LEU 21 7.273 -4.314 6.670 138 HB2 LEU 21 2HB LEU 21 7.387 -4.200 9.704 139 HB3 LEU 21 3HB LEU 21 8.756 -4.410 8.617 140 HG LEU 21 HG LEU 21 6.988 -1.928 8.697 141 HD11 LEU 21 1HD1 LEU 21 9.809 -1.943 9.727 142 HD12 LEU 21 2HD1 LEU 21 8.448 -0.861 10.096 143 HD13 LEU 21 3HD1 LEU 21 8.483 -2.492 10.778 144 HD21 LEU 21 1HD2 LEU 21 8.120 -2.239 6.524 145 HD22 LEU 21 2HD2 LEU 21 8.834 -0.886 7.413 146 HD23 LEU 21 3HD2 LEU 21 9.677 -2.451 7.356 147 H SER 22 H SER 22 5.103 -5.925 6.396 148 HA SER 22 HA SER 22 6.136 -8.496 7.453 149 HB2 SER 22 2HB SER 22 3.173 -7.859 7.446 150 HB3 SER 22 3HB SER 22 3.978 -9.272 8.127 151 HG SER 22 HG SER 22 4.341 -6.607 9.097 152 H ILE 23 H ILE 23 5.594 -10.264 6.102 153 HA ILE 23 HA ILE 23 4.981 -9.560 3.293 154 HB ILE 23 HB ILE 23 5.633 -12.283 4.484 155 HG12 ILE 23 2HG1 ILE 23 7.549 -11.073 5.165 156 HG13 ILE 23 3HG1 ILE 23 7.993 -11.876 3.670 157 HG21 ILE 23 1HG2 ILE 23 6.466 -12.649 2.115 158 HG22 ILE 23 2HG2 ILE 23 4.740 -12.381 2.258 159 HG23 ILE 23 3HG2 ILE 23 5.748 -11.080 1.700 160 HD11 ILE 23 1HD1 ILE 23 7.401 -8.915 4.072 161 HD12 ILE 23 2HD1 ILE 23 8.904 -9.680 3.546 162 HD13 ILE 23 3HD1 ILE 23 7.498 -9.669 2.472 163 H LEU 24 H LEU 24 3.205 -10.919 2.263 164 HA LEU 24 HA LEU 24 1.003 -11.343 4.194 165 HB2 LEU 24 2HB LEU 24 1.024 -10.696 1.234 166 HB3 LEU 24 3HB LEU 24 -0.421 -10.788 2.259 167 HG LEU 24 HG LEU 24 1.906 -8.812 2.631 168 HD11 LEU 24 1HD1 LEU 24 0.457 -7.186 1.558 169 HD12 LEU 24 2HD1 LEU 24 0.770 -8.572 0.489 170 HD13 LEU 24 3HD1 LEU 24 -0.790 -8.445 1.324 171 HD21 LEU 24 1HD2 LEU 24 0.215 -7.613 4.015 172 HD22 LEU 24 2HD2 LEU 24 -0.873 -9.013 3.847 173 HD23 LEU 24 3HD2 LEU 24 0.694 -9.185 4.684 174 H GLU 25 H GLU 25 0.892 -12.611 0.912 175 HA GLU 25 HA GLU 25 1.221 -14.555 -0.048 176 HB2 GLU 25 2HB GLU 25 2.183 -15.938 2.447 177 HB3 GLU 25 3HB GLU 25 2.507 -16.273 0.743 178 HG2 GLU 25 2HG GLU 25 3.844 -14.120 0.675 179 HG3 GLU 25 3HG GLU 25 3.620 -14.072 2.442 180 H GLU 26 H GLU 26 -0.701 -15.272 -0.590 181 HA GLU 26 HA GLU 26 -2.685 -16.205 -0.678 182 HB2 GLU 26 2HB GLU 26 -1.860 -17.738 1.792 183 HB3 GLU 26 3HB GLU 26 -3.341 -18.031 0.920 184 HG2 GLU 26 2HG GLU 26 -0.675 -18.148 -0.543 185 HG3 GLU 26 3HG GLU 26 -1.257 -19.510 0.415 186 H GLY 27 H GLY 27 -4.495 -15.210 -0.380 187 HA2 GLY 27 2HA GLY 27 -6.323 -14.160 0.689 188 HA3 GLY 27 3HA GLY 27 -5.647 -14.675 2.249 189 H GLU 28 H GLU 28 -4.043 -12.728 -0.272 190 HA GLU 28 HA GLU 28 -3.171 -10.869 1.724 191 HB2 GLU 28 2HB GLU 28 -2.859 -10.674 -1.252 192 HB3 GLU 28 3HB GLU 28 -1.910 -9.875 -0.014 193 HG2 GLU 28 2HG GLU 28 -0.446 -11.569 -0.335 194 HG3 GLU 28 3HG GLU 28 -1.478 -12.405 0.804 195 H ASP 29 H ASP 29 -4.465 -9.480 2.420 196 HA ASP 29 HA ASP 29 -6.715 -8.299 0.929 197 HB2 ASP 29 2HB ASP 29 -5.762 -8.099 3.802 198 HB3 ASP 29 3HB ASP 29 -7.006 -7.017 3.167 199 H VAL 30 H VAL 30 -5.185 -7.329 -0.651 200 HA VAL 30 HA VAL 30 -3.938 -4.833 0.381 201 HB VAL 30 HB VAL 30 -2.558 -4.894 -1.681 202 HG11 VAL 30 1HG1 VAL 30 -1.654 -5.620 0.455 203 HG12 VAL 30 2HG1 VAL 30 -2.442 -7.201 0.306 204 HG13 VAL 30 3HG1 VAL 30 -1.110 -6.763 -0.777 205 HG21 VAL 30 1HG2 VAL 30 -3.974 -6.499 -3.042 206 HG22 VAL 30 2HG2 VAL 30 -2.280 -6.984 -2.895 207 HG23 VAL 30 3HG2 VAL 30 -3.506 -7.791 -1.913 208 H ARG 31 H ARG 31 -4.989 -3.025 0.131 209 HA ARG 31 HA ARG 31 -7.053 -2.841 -1.997 210 HB2 ARG 31 2HB ARG 31 -7.444 -2.038 0.456 211 HB3 ARG 31 3HB ARG 31 -6.404 -0.677 0.048 212 HG2 ARG 31 2HG ARG 31 -8.416 0.251 -0.635 213 HG3 ARG 31 3HG ARG 31 -8.059 -0.635 -2.127 214 HD2 ARG 31 2HD ARG 31 -9.279 -2.636 -0.931 215 HD3 ARG 31 3HD ARG 31 -9.899 -1.384 0.165 216 HE ARG 31 HE ARG 31 -10.306 -0.675 -2.593 217 HH11 ARG 31 1HH1 ARG 31 -13.602 -1.937 -2.792 218 HH12 ARG 31 2HH1 ARG 31 -12.394 -1.004 -3.594 219 HH21 ARG 31 1HH2 ARG 31 -13.128 -2.932 -0.690 220 HH22 ARG 31 2HH2 ARG 31 -11.571 -2.696 0.011 221 H ARG 32 H ARG 32 -5.580 -2.830 -3.788 222 HA ARG 32 HA ARG 32 -3.356 -1.090 -3.957 223 HB2 ARG 32 2HB ARG 32 -3.552 -1.265 -6.430 224 HB3 ARG 32 3HB ARG 32 -3.551 -2.820 -5.596 225 HG2 ARG 32 2HG ARG 32 -5.412 -3.366 -6.610 226 HG3 ARG 32 3HG ARG 32 -6.306 -2.086 -5.810 227 HD2 ARG 32 2HD ARG 32 -5.776 -0.528 -7.636 228 HD3 ARG 32 3HD ARG 32 -4.773 -1.778 -8.416 229 HE ARG 32 HE ARG 32 -7.502 -2.610 -7.875 230 HH11 ARG 32 1HH1 ARG 32 -8.380 -2.657 -11.284 231 HH12 ARG 32 2HH1 ARG 32 -8.801 -3.199 -9.703 232 HH21 ARG 32 1HH2 ARG 32 -6.416 -1.355 -11.599 233 HH22 ARG 32 2HH2 ARG 32 -5.463 -0.937 -10.222 234 H LEU 33 H LEU 33 -3.172 1.028 -4.062 235 HA LEU 33 HA LEU 33 -5.416 2.724 -4.014 236 HB2 LEU 33 2HB LEU 33 -2.410 3.166 -4.474 237 HB3 LEU 33 3HB LEU 33 -3.532 4.475 -4.289 238 HG LEU 33 HG LEU 33 -2.613 4.273 -2.179 239 HD11 LEU 33 1HD1 LEU 33 -4.996 2.412 -1.799 240 HD12 LEU 33 2HD1 LEU 33 -4.338 3.599 -0.665 241 HD13 LEU 33 3HD1 LEU 33 -5.185 4.146 -2.122 242 HD21 LEU 33 1HD2 LEU 33 -1.487 2.088 -2.658 243 HD22 LEU 33 2HD2 LEU 33 -2.035 2.350 -0.987 244 HD23 LEU 33 3HD2 LEU 33 -2.946 1.270 -2.045 245 HA PRO 34 HA PRO 34 -6.095 3.544 -8.286 246 HB2 PRO 34 2HB PRO 34 -6.581 6.262 -8.352 247 HB3 PRO 34 3HB PRO 34 -7.725 5.050 -7.698 248 HG2 PRO 34 2HG PRO 34 -5.723 6.732 -6.161 249 HG3 PRO 34 3HG PRO 34 -7.464 6.482 -5.804 250 HD2 PRO 34 2HD PRO 34 -5.581 5.044 -4.532 251 HD3 PRO 34 3HD PRO 34 -7.085 4.255 -5.077 252 H CYS 35 H CYS 35 -3.274 4.782 -6.687 253 HA CYS 35 HA CYS 35 -2.143 6.037 -9.176 254 HB2 CYS 35 2HB CYS 35 -0.751 7.137 -7.802 255 HB3 CYS 35 3HB CYS 35 -2.187 7.083 -6.782 256 H MET 36 H MET 36 -2.738 3.128 -8.889 257 HA MET 36 HA MET 36 -1.864 1.094 -9.008 258 HB2 MET 36 2HB MET 36 0.168 2.651 -10.654 259 HB3 MET 36 3HB MET 36 0.146 0.886 -10.576 260 HG2 MET 36 2HG MET 36 -2.222 2.564 -11.483 261 HG3 MET 36 3HG MET 36 -1.016 1.848 -12.550 262 HE1 MET 36 1HE MET 36 -3.119 0.810 -13.886 263 HE2 MET 36 2HE MET 36 -1.562 -0.049 -13.871 264 HE3 MET 36 3HE MET 36 -3.076 -0.960 -13.688 265 H HIS 37 H HIS 37 -1.500 1.115 -6.646 266 HA HIS 37 HA HIS 37 1.292 0.353 -6.166 267 HB2 HIS 37 1HB HIS 37 0.076 2.890 -5.166 268 HB3 HIS 37 2HB HIS 37 0.834 1.896 -3.930 269 HD2 HIS 37 2HD HIS 37 3.408 1.100 -4.358 270 HE1 HIS 37 1HE HIS 37 4.417 4.312 -6.968 271 HE2 HIS 37 2HE HIS 37 5.353 2.400 -5.544 272 H LEU 38 H LEU 38 1.191 -1.569 -5.063 273 HA LEU 38 HA LEU 38 -1.376 -2.380 -3.893 274 HB2 LEU 38 2HB LEU 38 -0.732 -4.478 -4.291 275 HB3 LEU 38 3HB LEU 38 0.414 -3.742 -5.376 276 HG LEU 38 HG LEU 38 2.001 -3.847 -3.148 277 HD11 LEU 38 1HD1 LEU 38 1.558 -5.815 -1.850 278 HD12 LEU 38 2HD1 LEU 38 0.106 -4.800 -1.768 279 HD13 LEU 38 3HD1 LEU 38 0.142 -6.222 -2.837 280 HD21 LEU 38 1HD2 LEU 38 1.430 -6.188 -4.948 281 HD22 LEU 38 2HD2 LEU 38 2.472 -4.800 -5.347 282 HD23 LEU 38 3HD2 LEU 38 2.907 -5.856 -4.010 283 H PHE 39 H PHE 39 -1.756 -2.512 -1.702 284 HA PHE 39 HA PHE 39 0.341 -2.724 0.209 285 HB2 PHE 39 2HB PHE 39 -1.215 -0.120 0.018 286 HB3 PHE 39 3HB PHE 39 -0.454 -0.670 1.514 287 HD1 PHE 39 1HD PHE 39 0.046 1.340 -1.343 288 HD2 PHE 39 2HD PHE 39 2.120 -1.345 1.291 289 HE1 PHE 39 1HE PHE 39 2.202 2.367 -2.016 290 HE2 PHE 39 2HE PHE 39 4.272 -0.344 0.599 291 HZ PHE 39 HZ PHE 39 4.329 1.513 -1.049 292 H HIS 40 H HIS 40 -0.576 -3.305 2.202 293 HA HIS 40 HA HIS 40 -2.988 -4.835 2.261 294 HB2 HIS 40 1HB HIS 40 -0.691 -4.558 3.677 295 HB3 HIS 40 2HB HIS 40 -1.781 -3.608 4.692 296 HD2 HIS 40 2HD HIS 40 -3.625 -6.767 3.815 297 HE1 HIS 40 1HE HIS 40 -1.354 -7.438 7.376 298 HE2 HIS 40 2HE HIS 40 -3.204 -8.362 5.854 299 H GLN 41 H GLN 41 -5.149 -4.116 3.121 300 HA GLN 41 HA GLN 41 -5.805 -1.404 2.848 301 HB2 GLN 41 2HB GLN 41 -7.408 -3.361 3.031 302 HB3 GLN 41 3HB GLN 41 -7.181 -3.314 4.786 303 HG2 GLN 41 2HG GLN 41 -7.904 -0.867 4.713 304 HG3 GLN 41 3HG GLN 41 -8.280 -1.095 3.000 305 HE21 GLN 41 1HE2 GLN 41 -10.008 -0.517 5.514 306 HE22 GLN 41 2HE2 GLN 41 -11.241 -1.767 5.413 307 H VAL 42 H VAL 42 -5.176 -3.117 5.943 308 HA VAL 42 HA VAL 42 -5.241 -0.720 7.497 309 HB VAL 42 HB VAL 42 -3.884 -3.327 8.247 310 HG11 VAL 42 1HG1 VAL 42 -5.362 -1.226 9.908 311 HG12 VAL 42 2HG1 VAL 42 -4.671 -2.736 10.540 312 HG13 VAL 42 3HG1 VAL 42 -3.607 -1.485 9.898 313 HG21 VAL 42 1HG2 VAL 42 -6.078 -4.013 7.467 314 HG22 VAL 42 2HG2 VAL 42 -6.162 -3.945 9.221 315 HG23 VAL 42 3HG2 VAL 42 -6.852 -2.621 8.264 316 H CYS 43 H CYS 43 -2.712 -1.951 5.459 317 HA CYS 43 HA CYS 43 -0.323 -0.901 6.916 318 HB2 CYS 43 2HB CYS 43 -0.933 -1.817 4.080 319 HB3 CYS 43 3HB CYS 43 0.388 -0.811 4.388 320 H VAL 44 H VAL 44 -2.311 0.032 4.129 321 HA VAL 44 HA VAL 44 -1.133 2.452 3.634 322 HB VAL 44 HB VAL 44 -4.070 1.610 3.329 323 HG11 VAL 44 1HG1 VAL 44 -4.450 3.363 1.719 324 HG12 VAL 44 2HG1 VAL 44 -4.012 4.102 3.252 325 HG13 VAL 44 3HG1 VAL 44 -2.812 4.005 1.935 326 HG21 VAL 44 1HG2 VAL 44 -3.423 1.322 0.946 327 HG22 VAL 44 2HG2 VAL 44 -1.753 1.778 1.367 328 HG23 VAL 44 3HG2 VAL 44 -2.485 0.296 2.026 329 H ASP 45 H ASP 45 -3.951 1.808 5.774 330 HA ASP 45 HA ASP 45 -4.089 4.515 6.801 331 HB2 ASP 45 2HB ASP 45 -5.432 1.908 7.607 332 HB3 ASP 45 3HB ASP 45 -5.791 3.475 8.348 333 H GLN 46 H GLN 46 -1.467 3.232 7.147 334 HA GLN 46 HA GLN 46 -1.193 3.798 10.029 335 HB2 GLN 46 2HB GLN 46 -0.976 1.242 9.198 336 HB3 GLN 46 3HB GLN 46 0.658 1.797 8.815 337 HG2 GLN 46 2HG GLN 46 0.700 2.757 11.218 338 HG3 GLN 46 3HG GLN 46 -0.739 1.765 11.503 339 HE21 GLN 46 1HE2 GLN 46 -0.493 -0.661 11.166 340 HE22 GLN 46 2HE2 GLN 46 1.128 -1.316 11.410 341 H ARG 47 H ARG 47 0.631 3.315 6.937 342 HA ARG 47 HA ARG 47 2.679 5.230 7.814 343 HB2 ARG 47 2HB ARG 47 3.309 3.396 6.350 344 HB3 ARG 47 3HB ARG 47 2.228 3.992 5.073 345 HG2 ARG 47 2HG ARG 47 3.701 5.973 4.824 346 HG3 ARG 47 3HG ARG 47 4.667 5.405 6.208 347 HD2 ARG 47 2HD ARG 47 4.938 3.201 4.808 348 HD3 ARG 47 3HD ARG 47 4.400 4.191 3.439 349 HE ARG 47 HE ARG 47 6.521 5.435 4.953 350 HH11 ARG 47 1HH1 ARG 47 9.152 4.395 2.859 351 HH12 ARG 47 2HH1 ARG 47 8.702 5.411 4.176 352 HH21 ARG 47 1HH2 ARG 47 7.531 2.976 1.862 353 HH22 ARG 47 2HH2 ARG 47 5.922 2.975 2.499 354 H LEU 48 H LEU 48 -0.269 5.398 5.804 355 HA LEU 48 HA LEU 48 0.484 8.156 5.025 356 HB2 LEU 48 2HB LEU 48 -1.926 6.461 4.231 357 HB3 LEU 48 3HB LEU 48 -1.610 8.102 3.726 358 HG LEU 48 HG LEU 48 -0.936 6.853 1.912 359 HD11 LEU 48 1HD1 LEU 48 0.816 8.505 2.549 360 HD12 LEU 48 2HD1 LEU 48 1.689 7.217 3.416 361 HD13 LEU 48 3HD1 LEU 48 1.462 7.117 1.664 362 HD21 LEU 48 1HD2 LEU 48 0.671 4.957 3.656 363 HD22 LEU 48 2HD2 LEU 48 -0.944 4.639 3.004 364 HD23 LEU 48 3HD2 LEU 48 0.423 4.864 1.904 365 H ILE 49 H ILE 49 -2.467 6.635 6.408 366 HA ILE 49 HA ILE 49 -4.134 7.508 7.649 367 HB ILE 49 HB ILE 49 -1.821 8.585 9.311 368 HG12 ILE 49 2HG1 ILE 49 -3.509 6.109 9.805 369 HG13 ILE 49 3HG1 ILE 49 -1.996 6.056 8.894 370 HG21 ILE 49 1HG2 ILE 49 -3.863 9.775 9.980 371 HG22 ILE 49 2HG2 ILE 49 -4.803 8.272 9.918 372 HG23 ILE 49 3HG2 ILE 49 -3.585 8.531 11.172 373 HD11 ILE 49 1HD1 ILE 49 -1.603 5.473 11.253 374 HD12 ILE 49 2HD1 ILE 49 -0.749 6.963 10.813 375 HD13 ILE 49 3HD1 ILE 49 -2.234 7.021 11.783 376 H THR 50 H THR 50 -2.059 10.315 8.249 377 HA THR 50 HA THR 50 -4.227 12.105 7.326 378 HB THR 50 HB THR 50 -3.354 12.484 9.547 379 HG1 THR 50 1HG THR 50 -2.402 14.426 7.737 380 HG21 THR 50 1HG2 THR 50 -1.028 13.253 9.948 381 HG22 THR 50 2HG2 THR 50 -1.110 11.555 9.482 382 HG23 THR 50 3HG2 THR 50 -0.588 12.775 8.299 383 H ASN 51 H ASN 51 -3.096 10.666 5.210 384 HA ASN 51 HA ASN 51 -1.779 12.788 3.704 385 HB2 ASN 51 2HB ASN 51 -0.039 11.306 5.091 386 HB3 ASN 51 3HB ASN 51 -0.345 10.126 3.815 387 HD21 ASN 51 1HD2 ASN 51 2.141 11.584 4.404 388 HD22 ASN 51 2HD2 ASN 51 2.504 12.525 2.970 389 H LYS 52 H LYS 52 -1.916 12.300 1.406 390 HA LYS 52 HA LYS 52 -2.937 9.762 0.484 391 HB2 LYS 52 2HB LYS 52 -4.821 12.165 0.547 392 HB3 LYS 52 3HB LYS 52 -4.941 10.941 -0.703 393 HG2 LYS 52 2HG LYS 52 -6.306 9.811 0.599 394 HG3 LYS 52 3HG LYS 52 -4.910 9.341 1.534 395 HD2 LYS 52 2HD LYS 52 -5.291 11.490 2.916 396 HD3 LYS 52 3HD LYS 52 -6.815 11.677 2.054 397 HE2 LYS 52 2HE LYS 52 -5.991 9.237 3.702 398 HE3 LYS 52 3HE LYS 52 -7.045 10.540 4.274 399 HZ1 LYS 52 1HZ LYS 52 -7.671 8.802 1.979 400 HZ2 LYS 52 2HZ LYS 52 -8.328 8.666 3.487 401 HZ3 LYS 52 3HZ LYS 52 -8.613 9.998 2.576 402 H LYS 53 H LYS 53 -0.680 10.313 -0.444 403 HA LYS 53 HA LYS 53 -1.231 11.309 -3.090 404 HB2 LYS 53 2HB LYS 53 0.572 12.899 -3.286 405 HB3 LYS 53 3HB LYS 53 -0.588 13.411 -2.063 406 HG2 LYS 53 2HG LYS 53 1.021 12.410 -0.306 407 HG3 LYS 53 3HG LYS 53 2.179 12.197 -1.628 408 HD2 LYS 53 2HD LYS 53 2.730 14.272 -0.593 409 HD3 LYS 53 3HD LYS 53 1.919 14.681 -2.119 410 HE2 LYS 53 2HE LYS 53 -0.252 14.882 -0.773 411 HE3 LYS 53 3HE LYS 53 0.713 14.664 0.691 412 HZ1 LYS 53 1HZ LYS 53 0.343 16.978 0.227 413 HZ2 LYS 53 2HZ LYS 53 1.949 16.663 0.041 414 HZ3 LYS 53 3HZ LYS 53 0.980 16.848 -1.281 415 H CYS 54 H CYS 54 0.238 10.367 -4.629 416 HA CYS 54 HA CYS 54 1.915 8.095 -3.600 417 HB2 CYS 54 2HB CYS 54 0.484 8.742 -6.045 418 HB3 CYS 54 3HB CYS 54 2.218 8.567 -6.365 419 HA PRO 55 HA PRO 55 5.533 10.541 -3.529 420 HB2 PRO 55 2HB PRO 55 7.530 8.744 -4.142 421 HB3 PRO 55 3HB PRO 55 6.612 8.722 -2.607 422 HG2 PRO 55 2HG PRO 55 6.142 7.031 -5.075 423 HG3 PRO 55 3HG PRO 55 6.180 6.514 -3.363 424 HD2 PRO 55 2HD PRO 55 3.842 7.016 -4.680 425 HD3 PRO 55 3HD PRO 55 4.040 7.402 -2.943 426 H ILE 56 H ILE 56 5.656 8.423 -6.455 427 HA ILE 56 HA ILE 56 6.761 10.772 -7.883 428 HB ILE 56 HB ILE 56 7.889 8.445 -7.813 429 HG12 ILE 56 2HG1 ILE 56 8.868 10.126 -9.108 430 HG13 ILE 56 3HG1 ILE 56 8.777 8.683 -10.108 431 HG21 ILE 56 1HG2 ILE 56 5.918 7.853 -10.053 432 HG22 ILE 56 2HG2 ILE 56 7.295 6.867 -9.552 433 HG23 ILE 56 3HG2 ILE 56 5.932 7.087 -8.449 434 HD11 ILE 56 1HD1 ILE 56 6.689 9.730 -11.196 435 HD12 ILE 56 2HD1 ILE 56 7.153 11.231 -10.345 436 HD13 ILE 56 3HD1 ILE 56 8.245 10.510 -11.522 437 H CYS 57 H CYS 57 4.063 8.400 -7.911 438 HA CYS 57 HA CYS 57 2.844 9.201 -10.364 439 HB2 CYS 57 2HB CYS 57 0.970 8.507 -8.233 440 HB3 CYS 57 3HB CYS 57 1.199 7.801 -9.805 441 H ARG 58 H ARG 58 2.981 10.763 -7.223 442 HA ARG 58 HA ARG 58 2.088 12.636 -6.348 443 HB2 ARG 58 2HB ARG 58 3.981 13.312 -7.905 444 HB3 ARG 58 3HB ARG 58 2.745 13.775 -9.082 445 HG2 ARG 58 2HG ARG 58 1.910 14.991 -6.654 446 HG3 ARG 58 3HG ARG 58 3.668 15.156 -6.643 447 HD2 ARG 58 2HD ARG 58 3.572 16.182 -8.905 448 HD3 ARG 58 3HD ARG 58 1.802 15.992 -8.902 449 HE ARG 58 HE ARG 58 2.577 17.401 -6.572 450 HH11 ARG 58 1HH1 ARG 58 2.092 20.643 -7.884 451 HH12 ARG 58 2HH1 ARG 58 2.282 19.713 -6.445 452 HH21 ARG 58 1HH2 ARG 58 2.142 19.565 -10.004 453 HH22 ARG 58 2HH2 ARG 58 2.357 17.850 -10.051 454 H VAL 59 H VAL 59 0.051 11.122 -6.932 455 HA VAL 59 HA VAL 59 -2.018 12.946 -8.003 456 HB VAL 59 HB VAL 59 -1.264 10.689 -9.270 457 HG11 VAL 59 1HG1 VAL 59 -1.643 9.257 -7.282 458 HG12 VAL 59 2HG1 VAL 59 -3.384 9.600 -7.399 459 HG13 VAL 59 3HG1 VAL 59 -2.561 8.763 -8.724 460 HG21 VAL 59 1HG2 VAL 59 -4.177 11.496 -8.852 461 HG22 VAL 59 2HG2 VAL 59 -3.045 12.226 -10.018 462 HG23 VAL 59 3HG2 VAL 59 -3.543 10.535 -10.206 463 H ASP 60 H ASP 60 -3.971 12.884 -6.698 464 HA ASP 60 HA ASP 60 -3.412 12.354 -3.915 465 HB2 ASP 60 2HB ASP 60 -5.926 13.138 -5.432 466 HB3 ASP 60 3HB ASP 60 -5.891 12.884 -3.678 467 H ILE 61 H ILE 61 -3.787 10.473 -2.832 468 HA ILE 61 HA ILE 61 -4.533 8.092 -4.303 469 HB ILE 61 HB ILE 61 -3.976 8.633 -1.353 470 HG12 ILE 61 2HG1 ILE 61 -2.055 9.279 -2.542 471 HG13 ILE 61 3HG1 ILE 61 -1.694 7.684 -1.897 472 HG21 ILE 61 1HG2 ILE 61 -5.057 6.497 -1.538 473 HG22 ILE 61 2HG2 ILE 61 -3.989 6.013 -2.868 474 HG23 ILE 61 3HG2 ILE 61 -3.329 6.257 -1.233 475 HD11 ILE 61 1HD1 ILE 61 -0.920 7.798 -4.149 476 HD12 ILE 61 2HD1 ILE 61 -2.384 6.791 -4.190 477 HD13 ILE 61 3HD1 ILE 61 -2.442 8.490 -4.727 478 H GLU 62 H GLU 62 -6.210 10.493 -2.535 479 HA GLU 62 HA GLU 62 -8.424 8.778 -1.706 480 HB2 GLU 62 2HB GLU 62 -7.608 11.064 -0.659 481 HB3 GLU 62 3HB GLU 62 -8.566 11.806 -1.935 482 HG2 GLU 62 2HG GLU 62 -10.578 10.615 -1.157 483 HG3 GLU 62 3HG GLU 62 -9.604 9.664 -0.023 484 H ALA 63 H ALA 63 -10.420 8.563 -2.842 485 HA ALA 63 HA ALA 63 -10.787 10.000 -5.348 486 HB1 ALA 63 1HB ALA 63 -10.541 6.951 -5.196 487 HB2 ALA 63 2HB ALA 63 -11.116 7.868 -6.606 488 HB3 ALA 63 3HB ALA 63 -9.433 8.044 -6.060 489 H GLN 64 H GLN 64 -13.080 9.901 -5.906 490 HA GLN 64 HA GLN 64 -14.784 9.326 -3.629 491 HB2 GLN 64 2HB GLN 64 -15.234 11.059 -5.511 492 HB3 GLN 64 3HB GLN 64 -15.659 9.674 -6.528 493 HG2 GLN 64 2HG GLN 64 -17.183 9.105 -4.335 494 HG3 GLN 64 3HG GLN 64 -17.084 10.854 -4.153 495 HE21 GLN 64 1HE2 GLN 64 -18.486 12.129 -5.497 496 HE22 GLN 64 2HE2 GLN 64 -19.447 11.377 -6.764 497 H LEU 65 H LEU 65 -15.725 7.331 -3.159 498 HA LEU 65 HA LEU 65 -15.913 5.321 -5.285 499 HB2 LEU 65 2HB LEU 65 -14.770 3.626 -4.068 500 HB3 LEU 65 3HB LEU 65 -13.722 5.027 -4.067 501 HG LEU 65 HG LEU 65 -15.097 5.422 -1.694 502 HD11 LEU 65 1HD1 LEU 65 -15.132 3.239 -0.535 503 HD12 LEU 65 2HD1 LEU 65 -16.250 3.210 -1.912 504 HD13 LEU 65 3HD1 LEU 65 -14.669 2.412 -2.031 505 HD21 LEU 65 1HD2 LEU 65 -13.078 4.565 -0.589 506 HD22 LEU 65 2HD2 LEU 65 -12.559 3.793 -2.107 507 HD23 LEU 65 3HD2 LEU 65 -12.674 5.566 -1.990 508 HA PRO 66 HA PRO 66 -19.806 5.097 -3.379 509 HB2 PRO 66 2HB PRO 66 -20.790 2.654 -4.091 510 HB3 PRO 66 3HB PRO 66 -20.398 3.921 -5.292 511 HG2 PRO 66 2HG PRO 66 -18.643 1.595 -4.431 512 HG3 PRO 66 3HG PRO 66 -19.074 2.094 -6.099 513 HD2 PRO 66 2HD PRO 66 -16.743 2.874 -4.918 514 HD3 PRO 66 3HD PRO 66 -17.648 3.976 -6.002 515 H SER 67 H SER 67 -18.865 5.272 -1.199 516 HA SER 67 HA SER 67 -20.004 3.288 0.514 517 HB2 SER 67 2HB SER 67 -17.714 2.277 -0.043 518 HB3 SER 67 3HB SER 67 -16.990 3.692 0.752 519 HG SER 67 HG SER 67 -17.284 1.837 2.128 520 H GLU 68 H GLU 68 -18.796 4.141 2.905 521 HA GLU 68 HA GLU 68 -18.646 7.091 2.789 522 HB2 GLU 68 2HB GLU 68 -21.019 6.235 3.450 523 HB3 GLU 68 3HB GLU 68 -20.271 5.744 4.972 524 HG2 GLU 68 2HG GLU 68 -19.386 8.143 5.166 525 HG3 GLU 68 3HG GLU 68 -20.360 8.536 3.744 526 H SER 69 H SER 69 -16.376 6.978 3.116 527 HA SER 69 HA SER 69 -15.475 6.550 5.757 528 HB2 SER 69 2HB SER 69 -15.566 4.136 4.947 529 HB3 SER 69 3HB SER 69 -14.419 4.596 3.667 530 HG SER 69 HG SER 69 -13.125 5.437 5.497 Start of MODEL 15 1 H1 MET 1 H1 MET 1 26.158 -38.031 -4.676 2 H2 MET 1 H2 MET 1 25.305 -39.286 -4.008 3 H3 MET 1 H3 MET 1 25.197 -38.948 -5.625 4 HA MET 1 HA MET 1 23.230 -38.154 -4.549 5 HB2 MET 1 2HB MET 1 25.268 -36.629 -2.880 6 HB3 MET 1 3HB MET 1 23.561 -36.160 -2.996 7 HG2 MET 1 2HG MET 1 22.836 -38.300 -2.112 8 HG3 MET 1 3HG MET 1 24.490 -38.916 -2.119 9 HE1 MET 1 1HE MET 1 23.268 -35.277 -0.892 10 HE2 MET 1 2HE MET 1 21.957 -36.417 -0.497 11 HE3 MET 1 3HE MET 1 22.919 -35.674 0.800 12 H LYS 2 H LYS 2 22.272 -35.987 -5.181 13 HA LYS 2 HA LYS 2 23.898 -34.089 -6.568 14 HB2 LYS 2 2HB LYS 2 22.889 -34.364 -8.787 15 HB3 LYS 2 3HB LYS 2 23.745 -35.838 -8.331 16 HG2 LYS 2 2HG LYS 2 21.404 -36.676 -7.480 17 HG3 LYS 2 3HG LYS 2 20.747 -35.341 -8.443 18 HD2 LYS 2 2HD LYS 2 21.884 -36.267 -10.457 19 HD3 LYS 2 3HD LYS 2 22.552 -37.582 -9.456 20 HE2 LYS 2 2HE LYS 2 20.174 -38.181 -8.808 21 HE3 LYS 2 3HE LYS 2 19.606 -37.004 -10.001 22 HZ1 LYS 2 1HZ LYS 2 19.661 -39.222 -10.909 23 HZ2 LYS 2 2HZ LYS 2 20.759 -38.288 -11.699 24 HZ3 LYS 2 3HZ LYS 2 21.262 -39.383 -10.578 25 H GLN 3 H GLN 3 22.381 -32.239 -7.283 26 HA GLN 3 HA GLN 3 19.629 -32.383 -6.409 27 HB2 GLN 3 2HB GLN 3 21.163 -31.930 -4.322 28 HB3 GLN 3 3HB GLN 3 21.393 -30.325 -5.015 29 HG2 GLN 3 2HG GLN 3 19.057 -29.802 -4.771 30 HG3 GLN 3 3HG GLN 3 18.623 -31.509 -4.566 31 HE21 GLN 3 1HE2 GLN 3 19.267 -28.606 -2.830 32 HE22 GLN 3 2HE2 GLN 3 19.478 -29.397 -1.272 33 H ASP 4 H ASP 4 18.647 -30.142 -6.822 34 HA ASP 4 HA ASP 4 20.027 -28.712 -9.022 35 HB2 ASP 4 2HB ASP 4 18.587 -30.404 -10.050 36 HB3 ASP 4 3HB ASP 4 17.217 -29.893 -9.066 37 H GLY 5 H GLY 5 16.668 -28.068 -8.293 38 HA2 GLY 5 2HA GLY 5 17.072 -26.492 -5.917 39 HA3 GLY 5 3HA GLY 5 17.015 -25.494 -7.389 40 H GLU 6 H GLU 6 14.982 -24.677 -6.207 41 HA GLU 6 HA GLU 6 12.768 -25.856 -7.591 42 HB2 GLU 6 2HB GLU 6 12.844 -27.004 -5.264 43 HB3 GLU 6 3HB GLU 6 12.433 -25.418 -4.593 44 HG2 GLU 6 2HG GLU 6 10.364 -25.385 -5.973 45 HG3 GLU 6 3HG GLU 6 10.833 -26.913 -6.725 46 H GLU 7 H GLU 7 10.943 -24.121 -7.565 47 HA GLU 7 HA GLU 7 11.815 -21.497 -6.656 48 HB2 GLU 7 2HB GLU 7 12.318 -22.334 -9.371 49 HB3 GLU 7 3HB GLU 7 10.981 -21.180 -9.408 50 HG2 GLU 7 2HG GLU 7 12.338 -19.613 -7.995 51 HG3 GLU 7 3HG GLU 7 13.687 -20.756 -8.067 52 H GLY 8 H GLY 8 9.947 -19.882 -7.501 53 HA2 GLY 8 2HA GLY 8 7.323 -21.243 -7.189 54 HA3 GLY 8 3HA GLY 8 7.821 -20.012 -6.013 55 H THR 9 H THR 9 6.463 -18.257 -6.520 56 HA THR 9 HA THR 9 6.930 -16.871 -8.969 57 HB THR 9 HB THR 9 5.354 -18.642 -9.740 58 HG1 THR 9 1HG THR 9 5.207 -16.866 -10.894 59 HG21 THR 9 1HG2 THR 9 3.030 -18.636 -9.043 60 HG22 THR 9 2HG2 THR 9 4.075 -18.957 -7.644 61 HG23 THR 9 3HG2 THR 9 3.342 -17.353 -7.860 62 H GLU 10 H GLU 10 4.616 -15.216 -8.786 63 HA GLU 10 HA GLU 10 3.672 -13.501 -7.668 64 HB2 GLU 10 2HB GLU 10 2.918 -15.501 -6.316 65 HB3 GLU 10 3HB GLU 10 4.133 -15.078 -5.109 66 HG2 GLU 10 2HG GLU 10 3.057 -12.818 -4.888 67 HG3 GLU 10 3HG GLU 10 1.824 -13.340 -6.055 68 H GLU 11 H GLU 11 5.563 -12.099 -8.340 69 HA GLU 11 HA GLU 11 6.637 -10.927 -5.941 70 HB2 GLU 11 2HB GLU 11 8.306 -12.844 -6.974 71 HB3 GLU 11 3HB GLU 11 8.817 -11.431 -7.915 72 HG2 GLU 11 2HG GLU 11 8.873 -10.186 -5.609 73 HG3 GLU 11 3HG GLU 11 8.701 -11.767 -4.879 74 H ASP 12 H ASP 12 7.833 -8.982 -6.437 75 HA ASP 12 HA ASP 12 8.294 -7.024 -7.286 76 HB2 ASP 12 2HB ASP 12 8.684 -8.126 -9.506 77 HB3 ASP 12 3HB ASP 12 7.045 -7.617 -9.964 78 H THR 13 H THR 13 7.223 -5.555 -6.264 79 HA THR 13 HA THR 13 5.563 -4.872 -4.846 80 HB THR 13 HB THR 13 5.855 -3.272 -6.655 81 HG1 THR 13 1HG THR 13 3.260 -3.507 -5.593 82 HG21 THR 13 1HG2 THR 13 4.051 -2.961 -8.342 83 HG22 THR 13 2HG2 THR 13 5.032 -4.406 -8.621 84 HG23 THR 13 3HG2 THR 13 3.406 -4.564 -7.920 85 H GLU 14 H GLU 14 4.913 -7.731 -5.872 86 HA GLU 14 HA GLU 14 2.230 -7.789 -6.459 87 HB2 GLU 14 2HB GLU 14 4.136 -9.439 -6.959 88 HB3 GLU 14 3HB GLU 14 3.856 -10.103 -5.354 89 HG2 GLU 14 2HG GLU 14 2.692 -11.465 -6.900 90 HG3 GLU 14 3HG GLU 14 1.441 -10.532 -6.071 91 H GLU 15 H GLU 15 3.592 -9.266 -3.371 92 HA GLU 15 HA GLU 15 1.222 -8.125 -2.016 93 HB2 GLU 15 2HB GLU 15 1.217 -10.790 -2.790 94 HB3 GLU 15 3HB GLU 15 1.783 -10.891 -1.123 95 HG2 GLU 15 2HG GLU 15 -0.150 -9.263 -0.563 96 HG3 GLU 15 3HG GLU 15 -0.742 -9.555 -2.188 97 H LYS 16 H LYS 16 3.220 -6.693 -1.694 98 HA LYS 16 HA LYS 16 4.710 -7.594 0.758 99 HB2 LYS 16 2HB LYS 16 5.860 -5.921 -1.526 100 HB3 LYS 16 3HB LYS 16 6.700 -6.544 -0.093 101 HG2 LYS 16 2HG LYS 16 5.983 -8.873 -0.902 102 HG3 LYS 16 3HG LYS 16 5.552 -8.141 -2.425 103 HD2 LYS 16 2HD LYS 16 8.347 -7.933 -1.222 104 HD3 LYS 16 3HD LYS 16 7.820 -9.270 -2.262 105 HE2 LYS 16 2HE LYS 16 7.204 -7.579 -4.005 106 HE3 LYS 16 3HE LYS 16 7.937 -6.326 -2.983 107 HZ1 LYS 16 1HZ LYS 16 9.512 -7.203 -4.649 108 HZ2 LYS 16 2HZ LYS 16 10.035 -7.555 -3.134 109 HZ3 LYS 16 3HZ LYS 16 9.364 -8.727 -4.047 110 H CYS 17 H CYS 17 4.048 -6.312 2.410 111 HA CYS 17 HA CYS 17 2.665 -3.712 2.043 112 HB2 CYS 17 2HB CYS 17 2.004 -5.325 3.755 113 HB3 CYS 17 3HB CYS 17 3.623 -5.253 4.474 114 H THR 18 H THR 18 3.874 -1.947 1.519 115 HA THR 18 HA THR 18 6.685 -1.795 2.421 116 HB THR 18 HB THR 18 6.550 0.200 0.759 117 HG1 THR 18 1HG THR 18 4.442 0.503 0.370 118 HG21 THR 18 1HG2 THR 18 7.582 -2.013 0.201 119 HG22 THR 18 2HG2 THR 18 5.987 -2.627 -0.281 120 HG23 THR 18 3HG2 THR 18 6.735 -1.300 -1.183 121 H ILE 19 H ILE 19 4.276 -1.480 4.206 122 HA ILE 19 HA ILE 19 4.830 1.260 5.238 123 HB ILE 19 HB ILE 19 2.447 -0.516 5.731 124 HG12 ILE 19 2HG1 ILE 19 2.998 1.837 3.869 125 HG13 ILE 19 3HG1 ILE 19 2.362 0.215 3.462 126 HG21 ILE 19 1HG2 ILE 19 1.609 1.486 6.944 127 HG22 ILE 19 2HG2 ILE 19 3.130 0.977 7.642 128 HG23 ILE 19 3HG2 ILE 19 3.104 2.348 6.521 129 HD11 ILE 19 1HD1 ILE 19 0.434 0.626 4.822 130 HD12 ILE 19 2HD1 ILE 19 0.966 2.330 5.077 131 HD13 ILE 19 3HD1 ILE 19 0.532 1.749 3.469 132 H CYS 20 H CYS 20 3.879 -2.038 6.310 133 HA CYS 20 HA CYS 20 5.366 -1.878 8.890 134 HB2 CYS 20 2HB CYS 20 4.163 -3.984 9.248 135 HB3 CYS 20 3HB CYS 20 3.051 -2.673 8.844 136 H LEU 21 H LEU 21 6.710 -1.978 6.156 137 HA LEU 21 HA LEU 21 8.121 -3.272 4.883 138 HB2 LEU 21 2HB LEU 21 9.470 -3.186 7.613 139 HB3 LEU 21 3HB LEU 21 10.261 -3.429 6.057 140 HG LEU 21 HG LEU 21 8.863 -1.097 5.571 141 HD11 LEU 21 1HD1 LEU 21 9.223 0.407 7.467 142 HD12 LEU 21 2HD1 LEU 21 8.196 -0.938 7.984 143 HD13 LEU 21 3HD1 LEU 21 9.911 -0.917 8.434 144 HD21 LEU 21 1HD2 LEU 21 11.675 -1.372 6.718 145 HD22 LEU 21 2HD2 LEU 21 11.220 -1.530 5.006 146 HD23 LEU 21 3HD2 LEU 21 11.049 0.032 5.824 147 H SER 22 H SER 22 6.344 -5.169 4.974 148 HA SER 22 HA SER 22 7.954 -7.547 5.532 149 HB2 SER 22 2HB SER 22 6.008 -8.603 6.808 150 HB3 SER 22 3HB SER 22 6.993 -7.419 7.683 151 HG SER 22 HG SER 22 5.421 -5.903 7.425 152 H ILE 23 H ILE 23 6.852 -9.522 4.730 153 HA ILE 23 HA ILE 23 5.490 -8.922 2.175 154 HB ILE 23 HB ILE 23 6.587 -11.570 3.154 155 HG12 ILE 23 2HG1 ILE 23 8.514 -10.147 3.285 156 HG13 ILE 23 3HG1 ILE 23 8.643 -11.117 1.829 157 HG21 ILE 23 1HG2 ILE 23 5.832 -10.463 0.426 158 HG22 ILE 23 2HG2 ILE 23 6.790 -11.941 0.641 159 HG23 ILE 23 3HG2 ILE 23 5.153 -11.849 1.279 160 HD11 ILE 23 1HD1 ILE 23 7.813 -9.198 0.491 161 HD12 ILE 23 2HD1 ILE 23 7.791 -8.185 1.949 162 HD13 ILE 23 3HD1 ILE 23 9.324 -8.833 1.344 163 H LEU 24 H LEU 24 3.592 -10.268 1.685 164 HA LEU 24 HA LEU 24 2.008 -10.845 4.109 165 HB2 LEU 24 2HB LEU 24 1.231 -10.036 1.269 166 HB3 LEU 24 3HB LEU 24 0.110 -10.299 2.607 167 HG LEU 24 HG LEU 24 2.346 -8.197 2.493 168 HD11 LEU 24 1HD1 LEU 24 -0.630 -8.062 2.009 169 HD12 LEU 24 2HD1 LEU 24 0.457 -6.639 2.119 170 HD13 LEU 24 3HD1 LEU 24 0.684 -7.845 0.831 171 HD21 LEU 24 1HD2 LEU 24 1.103 -7.236 4.429 172 HD22 LEU 24 2HD2 LEU 24 0.102 -8.708 4.478 173 HD23 LEU 24 3HD2 LEU 24 1.859 -8.796 4.778 174 H GLU 25 H GLU 25 1.394 -11.900 0.802 175 HA GLU 25 HA GLU 25 1.128 -13.866 -0.174 176 HB2 GLU 25 2HB GLU 25 2.938 -15.464 -0.131 177 HB3 GLU 25 3HB GLU 25 3.527 -13.811 -0.263 178 HG2 GLU 25 2HG GLU 25 4.170 -13.823 2.128 179 HG3 GLU 25 3HG GLU 25 3.560 -15.474 2.296 180 H GLU 26 H GLU 26 -0.405 -13.431 2.120 181 HA GLU 26 HA GLU 26 -0.880 -16.226 3.088 182 HB2 GLU 26 2HB GLU 26 -0.371 -13.677 4.609 183 HB3 GLU 26 3HB GLU 26 -1.519 -14.801 5.301 184 HG2 GLU 26 2HG GLU 26 1.260 -15.709 4.476 185 HG3 GLU 26 3HG GLU 26 0.923 -14.988 6.051 186 H GLY 27 H GLY 27 -2.151 -14.419 1.118 187 HA2 GLY 27 2HA GLY 27 -4.318 -13.813 0.408 188 HA3 GLY 27 3HA GLY 27 -4.933 -15.033 1.552 189 H GLU 28 H GLU 28 -2.873 -12.328 2.424 190 HA GLU 28 HA GLU 28 -4.582 -11.418 4.535 191 HB2 GLU 28 2HB GLU 28 -2.050 -10.546 3.186 192 HB3 GLU 28 3HB GLU 28 -2.896 -9.283 4.047 193 HG2 GLU 28 2HG GLU 28 -2.347 -11.930 5.420 194 HG3 GLU 28 3HG GLU 28 -1.144 -10.627 5.373 195 H ASP 29 H ASP 29 -5.332 -9.115 4.725 196 HA ASP 29 HA ASP 29 -6.883 -8.368 2.412 197 HB2 ASP 29 2HB ASP 29 -7.490 -6.395 3.672 198 HB3 ASP 29 3HB ASP 29 -7.679 -7.832 4.644 199 H VAL 30 H VAL 30 -6.419 -6.893 0.826 200 HA VAL 30 HA VAL 30 -3.922 -5.350 1.023 201 HB VAL 30 HB VAL 30 -3.266 -6.003 -1.264 202 HG11 VAL 30 1HG1 VAL 30 -2.190 -6.952 0.761 203 HG12 VAL 30 2HG1 VAL 30 -3.275 -8.358 0.657 204 HG13 VAL 30 3HG1 VAL 30 -2.120 -8.036 -0.643 205 HG21 VAL 30 1HG2 VAL 30 -4.021 -8.144 -2.222 206 HG22 VAL 30 2HG2 VAL 30 -5.224 -8.317 -0.934 207 HG23 VAL 30 3HG2 VAL 30 -5.363 -6.991 -2.116 208 H ARG 31 H ARG 31 -3.999 -3.398 -0.141 209 HA ARG 31 HA ARG 31 -6.408 -2.987 -1.808 210 HB2 ARG 31 2HB ARG 31 -6.819 -2.279 0.551 211 HB3 ARG 31 3HB ARG 31 -5.503 -1.110 0.433 212 HG2 ARG 31 2HG ARG 31 -7.740 -1.112 -1.608 213 HG3 ARG 31 3HG ARG 31 -8.039 -0.442 -0.003 214 HD2 ARG 31 2HD ARG 31 -6.439 1.290 -0.263 215 HD3 ARG 31 3HD ARG 31 -5.639 0.476 -1.601 216 HE ARG 31 HE ARG 31 -7.073 1.333 -3.077 217 HH11 ARG 31 1HH1 ARG 31 -10.155 3.035 -2.723 218 HH12 ARG 31 2HH1 ARG 31 -8.944 2.498 -3.830 219 HH21 ARG 31 1HH2 ARG 31 -9.919 2.566 -0.404 220 HH22 ARG 31 2HH2 ARG 31 -8.516 1.715 0.130 221 H ARG 32 H ARG 32 -5.531 -2.461 -3.756 222 HA ARG 32 HA ARG 32 -2.911 -1.177 -3.796 223 HB2 ARG 32 2HB ARG 32 -3.315 -0.923 -6.260 224 HB3 ARG 32 3HB ARG 32 -3.221 -2.581 -5.663 225 HG2 ARG 32 2HG ARG 32 -5.401 -3.045 -6.147 226 HG3 ARG 32 3HG ARG 32 -5.983 -1.419 -5.743 227 HD2 ARG 32 2HD ARG 32 -5.272 -0.495 -7.791 228 HD3 ARG 32 3HD ARG 32 -4.323 -1.951 -8.203 229 HE ARG 32 HE ARG 32 -7.128 -2.517 -7.763 230 HH11 ARG 32 1HH1 ARG 32 -7.704 -3.276 -11.150 231 HH12 ARG 32 2HH1 ARG 32 -8.277 -3.468 -9.537 232 HH21 ARG 32 1HH2 ARG 32 -5.678 -2.091 -11.548 233 HH22 ARG 32 2HH2 ARG 32 -4.844 -1.401 -10.198 234 H LEU 33 H LEU 33 -2.469 0.949 -4.138 235 HA LEU 33 HA LEU 33 -4.598 2.912 -3.986 236 HB2 LEU 33 2HB LEU 33 -1.595 3.091 -4.610 237 HB3 LEU 33 3HB LEU 33 -2.638 4.449 -4.299 238 HG LEU 33 HG LEU 33 -1.715 4.318 -2.246 239 HD11 LEU 33 1HD1 LEU 33 -3.021 3.275 -0.598 240 HD12 LEU 33 2HD1 LEU 33 -4.170 3.624 -1.895 241 HD13 LEU 33 3HD1 LEU 33 -3.557 1.974 -1.670 242 HD21 LEU 33 1HD2 LEU 33 -1.347 1.309 -2.430 243 HD22 LEU 33 2HD2 LEU 33 -0.133 2.541 -2.857 244 HD23 LEU 33 3HD2 LEU 33 -0.709 2.410 -1.197 245 HA PRO 34 HA PRO 34 -4.981 3.289 -8.423 246 HB2 PRO 34 2HB PRO 34 -5.271 5.997 -8.778 247 HB3 PRO 34 3HB PRO 34 -6.556 4.953 -8.093 248 HG2 PRO 34 2HG PRO 34 -4.519 6.623 -6.581 249 HG3 PRO 34 3HG PRO 34 -6.298 6.575 -6.347 250 HD2 PRO 34 2HD PRO 34 -4.659 5.113 -4.781 251 HD3 PRO 34 3HD PRO 34 -6.195 4.414 -5.363 252 H CYS 35 H CYS 35 -2.348 4.672 -6.564 253 HA CYS 35 HA CYS 35 -0.841 5.718 -8.911 254 HB2 CYS 35 2HB CYS 35 0.546 6.612 -7.323 255 HB3 CYS 35 3HB CYS 35 -1.021 6.725 -6.522 256 H MET 36 H MET 36 -1.601 2.984 -9.080 257 HA MET 36 HA MET 36 -1.105 0.841 -8.788 258 HB2 MET 36 2HB MET 36 1.063 1.928 -10.629 259 HB3 MET 36 3HB MET 36 0.770 0.193 -10.397 260 HG2 MET 36 2HG MET 36 -1.589 0.489 -11.062 261 HG3 MET 36 3HG MET 36 -1.290 2.204 -11.376 262 HE1 MET 36 1HE MET 36 -2.504 1.584 -13.726 263 HE2 MET 36 2HE MET 36 -1.822 0.442 -14.908 264 HE3 MET 36 3HE MET 36 -2.504 -0.165 -13.384 265 H HIS 37 H HIS 37 -0.717 0.722 -6.552 266 HA HIS 37 HA HIS 37 1.866 -0.471 -5.955 267 HB2 HIS 37 1HB HIS 37 1.021 2.257 -4.962 268 HB3 HIS 37 2HB HIS 37 1.754 1.165 -3.808 269 HD2 HIS 37 2HD HIS 37 4.188 -0.047 -4.821 270 HE1 HIS 37 1HE HIS 37 5.307 3.510 -6.874 271 HE2 HIS 37 2HE HIS 37 6.135 1.262 -5.986 272 H LEU 38 H LEU 38 1.647 -1.707 -3.830 273 HA LEU 38 HA LEU 38 -1.172 -2.031 -2.931 274 HB2 LEU 38 2HB LEU 38 -0.717 -3.812 -4.424 275 HB3 LEU 38 3HB LEU 38 0.907 -4.067 -3.801 276 HG LEU 38 HG LEU 38 -1.319 -4.432 -1.816 277 HD11 LEU 38 1HD1 LEU 38 -0.848 -6.217 -4.218 278 HD12 LEU 38 2HD1 LEU 38 -1.635 -6.791 -2.745 279 HD13 LEU 38 3HD1 LEU 38 -2.371 -5.478 -3.692 280 HD21 LEU 38 1HD2 LEU 38 1.020 -4.873 -1.143 281 HD22 LEU 38 2HD2 LEU 38 0.081 -6.366 -1.168 282 HD23 LEU 38 3HD2 LEU 38 1.194 -5.984 -2.508 283 H PHE 39 H PHE 39 -1.313 -1.655 -0.762 284 HA PHE 39 HA PHE 39 1.221 -1.767 0.827 285 HB2 PHE 39 2HB PHE 39 -0.625 0.559 0.238 286 HB3 PHE 39 3HB PHE 39 0.205 0.487 1.758 287 HD1 PHE 39 1HD PHE 39 1.656 -0.139 -1.724 288 HD2 PHE 39 2HD PHE 39 1.622 2.311 1.814 289 HE1 PHE 39 1HE PHE 39 3.608 1.092 -2.536 290 HE2 PHE 39 2HE PHE 39 3.534 3.568 0.961 291 HZ PHE 39 HZ PHE 39 4.542 2.978 -1.240 292 H HIS 40 H HIS 40 -0.565 -3.816 1.069 293 HA HIS 40 HA HIS 40 -1.937 -4.982 2.520 294 HB2 HIS 40 1HB HIS 40 -0.433 -3.278 4.245 295 HB3 HIS 40 2HB HIS 40 -2.086 -3.145 4.780 296 HD2 HIS 40 2HD HIS 40 -3.040 -6.202 4.665 297 HE1 HIS 40 1HE HIS 40 0.106 -6.834 7.420 298 HE2 HIS 40 2HE HIS 40 -2.041 -7.780 6.470 299 H GLN 41 H GLN 41 -4.186 -4.392 3.975 300 HA GLN 41 HA GLN 41 -5.410 -1.976 2.733 301 HB2 GLN 41 2HB GLN 41 -6.562 -4.131 2.157 302 HB3 GLN 41 3HB GLN 41 -6.959 -4.307 3.867 303 HG2 GLN 41 2HG GLN 41 -7.696 -1.655 2.787 304 HG3 GLN 41 3HG GLN 41 -8.497 -3.008 1.986 305 HE21 GLN 41 1HE2 GLN 41 -7.975 -1.524 5.255 306 HE22 GLN 41 2HE2 GLN 41 -9.422 -2.275 5.913 307 H VAL 42 H VAL 42 -4.876 -3.831 5.788 308 HA VAL 42 HA VAL 42 -5.941 -1.738 7.442 309 HB VAL 42 HB VAL 42 -3.807 -3.857 7.989 310 HG11 VAL 42 1HG1 VAL 42 -5.294 -2.039 9.943 311 HG12 VAL 42 2HG1 VAL 42 -4.306 -3.442 10.402 312 HG13 VAL 42 3HG1 VAL 42 -3.543 -2.044 9.641 313 HG21 VAL 42 1HG2 VAL 42 -5.634 -5.032 9.145 314 HG22 VAL 42 2HG2 VAL 42 -6.764 -3.717 8.747 315 HG23 VAL 42 3HG2 VAL 42 -6.081 -4.734 7.467 316 H CYS 43 H CYS 43 -2.446 -2.456 6.826 317 HA CYS 43 HA CYS 43 -1.469 -0.258 8.201 318 HB2 CYS 43 2HB CYS 43 -0.238 -1.498 5.730 319 HB3 CYS 43 3HB CYS 43 0.576 -0.529 6.975 320 H VAL 44 H VAL 44 -2.286 -0.247 4.659 321 HA VAL 44 HA VAL 44 -1.530 2.348 4.129 322 HB VAL 44 HB VAL 44 -2.360 0.993 2.380 323 HG11 VAL 44 1HG1 VAL 44 -5.121 1.078 3.653 324 HG12 VAL 44 2HG1 VAL 44 -4.699 0.378 2.081 325 HG13 VAL 44 3HG1 VAL 44 -4.034 -0.333 3.548 326 HG21 VAL 44 1HG2 VAL 44 -4.227 3.364 2.774 327 HG22 VAL 44 2HG2 VAL 44 -2.614 3.383 2.022 328 HG23 VAL 44 3HG2 VAL 44 -3.952 2.496 1.260 329 H ASP 45 H ASP 45 -4.584 1.360 5.840 330 HA ASP 45 HA ASP 45 -5.100 4.193 6.356 331 HB2 ASP 45 2HB ASP 45 -6.869 2.319 5.836 332 HB3 ASP 45 3HB ASP 45 -6.690 1.901 7.531 333 H GLN 46 H GLN 46 -2.665 3.236 7.382 334 HA GLN 46 HA GLN 46 -3.089 3.826 10.251 335 HB2 GLN 46 2HB GLN 46 -2.583 1.333 9.828 336 HB3 GLN 46 3HB GLN 46 -1.010 1.853 9.221 337 HG2 GLN 46 2HG GLN 46 -0.559 1.264 11.412 338 HG3 GLN 46 3HG GLN 46 -0.668 3.022 11.491 339 HE21 GLN 46 1HE2 GLN 46 -2.136 3.880 13.037 340 HE22 GLN 46 2HE2 GLN 46 -3.315 2.857 13.851 341 H ARG 47 H ARG 47 -0.670 3.562 7.579 342 HA ARG 47 HA ARG 47 0.824 5.820 8.732 343 HB2 ARG 47 2HB ARG 47 2.010 3.938 7.725 344 HB3 ARG 47 3HB ARG 47 1.264 4.284 6.149 345 HG2 ARG 47 2HG ARG 47 2.404 6.466 6.058 346 HG3 ARG 47 3HG ARG 47 3.054 6.212 7.694 347 HD2 ARG 47 2HD ARG 47 4.257 4.192 6.868 348 HD3 ARG 47 3HD ARG 47 3.640 4.518 5.230 349 HE ARG 47 HE ARG 47 4.990 6.800 6.310 350 HH11 ARG 47 1HH1 ARG 47 8.138 6.104 4.874 351 HH12 ARG 47 2HH1 ARG 47 7.178 7.289 5.680 352 HH21 ARG 47 1HH2 ARG 47 7.239 3.943 4.441 353 HH22 ARG 47 2HH2 ARG 47 5.630 3.599 4.929 354 H LEU 48 H LEU 48 -1.496 5.287 6.048 355 HA LEU 48 HA LEU 48 -0.913 7.981 5.014 356 HB2 LEU 48 2HB LEU 48 -2.994 5.941 4.128 357 HB3 LEU 48 3HB LEU 48 -2.782 7.508 3.421 358 HG LEU 48 HG LEU 48 -1.783 5.624 2.137 359 HD11 LEU 48 1HD1 LEU 48 0.233 7.724 2.984 360 HD12 LEU 48 2HD1 LEU 48 0.218 6.811 1.470 361 HD13 LEU 48 3HD1 LEU 48 -1.092 7.950 1.776 362 HD21 LEU 48 1HD2 LEU 48 0.325 4.646 2.701 363 HD22 LEU 48 2HD2 LEU 48 0.492 5.645 4.153 364 HD23 LEU 48 3HD2 LEU 48 -0.751 4.377 4.080 365 H ILE 49 H ILE 49 -3.907 6.327 6.153 366 HA ILE 49 HA ILE 49 -5.852 7.139 6.951 367 HB ILE 49 HB ILE 49 -3.941 8.572 8.817 368 HG12 ILE 49 2HG1 ILE 49 -5.377 5.901 9.046 369 HG13 ILE 49 3HG1 ILE 49 -3.657 6.121 8.690 370 HG21 ILE 49 1HG2 ILE 49 -6.319 9.495 8.907 371 HG22 ILE 49 2HG2 ILE 49 -6.888 7.849 9.233 372 HG23 ILE 49 3HG2 ILE 49 -5.831 8.702 10.384 373 HD11 ILE 49 1HD1 ILE 49 -3.391 7.320 10.884 374 HD12 ILE 49 2HD1 ILE 49 -5.075 6.880 11.277 375 HD13 ILE 49 3HD1 ILE 49 -3.875 5.622 11.047 376 H THR 50 H THR 50 -6.792 8.217 5.259 377 HA THR 50 HA THR 50 -7.623 9.980 4.083 378 HB THR 50 HB THR 50 -7.253 11.541 6.657 379 HG1 THR 50 1HG THR 50 -9.145 9.541 5.986 380 HG21 THR 50 1HG2 THR 50 -9.450 11.516 4.536 381 HG22 THR 50 2HG2 THR 50 -9.561 12.343 6.108 382 HG23 THR 50 3HG2 THR 50 -8.361 12.865 4.924 383 H ASN 51 H ASN 51 -4.756 9.606 3.867 384 HA ASN 51 HA ASN 51 -3.843 12.371 3.205 385 HB2 ASN 51 2HB ASN 51 -2.321 11.432 4.816 386 HB3 ASN 51 3HB ASN 51 -2.311 9.873 3.973 387 HD21 ASN 51 1HD2 ASN 51 -0.472 9.528 2.871 388 HD22 ASN 51 2HD2 ASN 51 0.284 10.686 1.804 389 H LYS 52 H LYS 52 -2.653 12.550 1.108 390 HA LYS 52 HA LYS 52 -3.376 10.504 -0.843 391 HB2 LYS 52 2HB LYS 52 -4.032 12.621 -2.292 392 HB3 LYS 52 3HB LYS 52 -5.209 11.745 -1.380 393 HG2 LYS 52 2HG LYS 52 -3.897 14.171 -0.126 394 HG3 LYS 52 3HG LYS 52 -5.180 14.354 -1.331 395 HD2 LYS 52 2HD LYS 52 -6.690 12.944 -0.047 396 HD3 LYS 52 3HD LYS 52 -5.481 12.710 1.214 397 HE2 LYS 52 2HE LYS 52 -5.552 15.200 1.606 398 HE3 LYS 52 3HE LYS 52 -6.885 15.270 0.434 399 HZ1 LYS 52 1HZ LYS 52 -6.853 13.724 2.948 400 HZ2 LYS 52 2HZ LYS 52 -7.810 15.023 2.621 401 HZ3 LYS 52 3HZ LYS 52 -8.011 13.580 1.837 402 H LYS 53 H LYS 53 -1.039 10.211 -0.470 403 HA LYS 53 HA LYS 53 -0.072 11.481 -2.753 404 HB2 LYS 53 2HB LYS 53 2.196 12.208 -1.878 405 HB3 LYS 53 3HB LYS 53 0.843 13.269 -1.498 406 HG2 LYS 53 2HG LYS 53 0.725 12.390 0.786 407 HG3 LYS 53 3HG LYS 53 2.015 11.225 0.428 408 HD2 LYS 53 2HD LYS 53 3.188 13.612 -0.313 409 HD3 LYS 53 3HD LYS 53 2.175 14.132 1.036 410 HE2 LYS 53 2HE LYS 53 4.137 11.790 1.078 411 HE3 LYS 53 3HE LYS 53 4.510 13.411 1.677 412 HZ1 LYS 53 1HZ LYS 53 2.785 13.164 3.318 413 HZ2 LYS 53 2HZ LYS 53 2.366 11.683 2.749 414 HZ3 LYS 53 3HZ LYS 53 3.841 11.909 3.441 415 H CYS 54 H CYS 54 1.189 9.985 -3.850 416 HA CYS 54 HA CYS 54 2.090 7.408 -2.579 417 HB2 CYS 54 2HB CYS 54 0.649 7.693 -4.795 418 HB3 CYS 54 3HB CYS 54 2.115 8.285 -5.458 419 HA PRO 55 HA PRO 55 5.698 9.949 -2.292 420 HB2 PRO 55 2HB PRO 55 7.610 8.097 -1.489 421 HB3 PRO 55 3HB PRO 55 6.358 8.801 -0.424 422 HG2 PRO 55 2HG PRO 55 6.301 6.130 -1.845 423 HG3 PRO 55 3HG PRO 55 5.827 6.510 -0.162 424 HD2 PRO 55 2HD PRO 55 3.997 6.265 -2.178 425 HD3 PRO 55 3HD PRO 55 3.780 7.453 -0.853 426 H ILE 56 H ILE 56 6.923 6.820 -3.656 427 HA ILE 56 HA ILE 56 8.407 8.435 -5.596 428 HB ILE 56 HB ILE 56 9.355 6.196 -6.268 429 HG12 ILE 56 2HG1 ILE 56 8.211 5.049 -3.709 430 HG13 ILE 56 3HG1 ILE 56 7.240 4.961 -5.181 431 HG21 ILE 56 1HG2 ILE 56 9.589 7.002 -3.332 432 HG22 ILE 56 2HG2 ILE 56 10.760 6.024 -4.240 433 HG23 ILE 56 3HG2 ILE 56 10.480 7.710 -4.694 434 HD11 ILE 56 1HD1 ILE 56 8.594 2.925 -4.876 435 HD12 ILE 56 2HD1 ILE 56 9.034 3.788 -6.364 436 HD13 ILE 56 3HD1 ILE 56 10.082 3.892 -4.930 437 H CYS 57 H CYS 57 6.017 9.009 -6.153 438 HA CYS 57 HA CYS 57 5.174 7.853 -8.806 439 HB2 CYS 57 2HB CYS 57 3.884 7.518 -6.146 440 HB3 CYS 57 3HB CYS 57 2.831 7.921 -7.543 441 H ARG 58 H ARG 58 4.290 9.917 -5.994 442 HA ARG 58 HA ARG 58 3.568 11.979 -5.750 443 HB2 ARG 58 2HB ARG 58 5.703 12.485 -6.915 444 HB3 ARG 58 3HB ARG 58 4.821 12.637 -8.442 445 HG2 ARG 58 2HG ARG 58 3.608 14.557 -7.652 446 HG3 ARG 58 3HG ARG 58 4.081 14.247 -5.965 447 HD2 ARG 58 2HD ARG 58 6.432 14.654 -6.525 448 HD3 ARG 58 3HD ARG 58 5.998 14.979 -8.218 449 HE ARG 58 HE ARG 58 4.433 16.749 -6.983 450 HH11 ARG 58 1HH1 ARG 58 6.585 19.278 -5.796 451 HH12 ARG 58 2HH1 ARG 58 4.966 18.883 -6.239 452 HH21 ARG 58 1HH2 ARG 58 8.279 17.620 -5.924 453 HH22 ARG 58 2HH2 ARG 58 7.862 16.047 -6.501 454 H VAL 59 H VAL 59 1.631 10.473 -6.121 455 HA VAL 59 HA VAL 59 -0.284 11.949 -7.811 456 HB VAL 59 HB VAL 59 0.246 8.956 -7.763 457 HG11 VAL 59 1HG1 VAL 59 -1.929 8.627 -8.957 458 HG12 VAL 59 2HG1 VAL 59 -2.126 9.065 -7.263 459 HG13 VAL 59 3HG1 VAL 59 -2.385 10.289 -8.526 460 HG21 VAL 59 1HG2 VAL 59 1.263 10.294 -9.581 461 HG22 VAL 59 2HG2 VAL 59 0.017 9.206 -10.212 462 HG23 VAL 59 3HG2 VAL 59 -0.339 10.935 -10.007 463 H ASP 60 H ASP 60 -2.217 12.300 -6.691 464 HA ASP 60 HA ASP 60 -2.363 11.845 -3.909 465 HB2 ASP 60 2HB ASP 60 -4.383 12.615 -6.066 466 HB3 ASP 60 3HB ASP 60 -4.806 12.550 -4.360 467 H ILE 61 H ILE 61 -2.939 9.968 -2.834 468 HA ILE 61 HA ILE 61 -3.774 7.614 -4.189 469 HB ILE 61 HB ILE 61 -3.898 8.269 -1.206 470 HG12 ILE 61 2HG1 ILE 61 -1.660 8.803 -1.783 471 HG13 ILE 61 3HG1 ILE 61 -1.631 7.204 -1.057 472 HG21 ILE 61 1HG2 ILE 61 -4.981 6.201 -1.654 473 HG22 ILE 61 2HG2 ILE 61 -3.709 5.692 -2.781 474 HG23 ILE 61 3HG2 ILE 61 -3.373 5.812 -1.029 475 HD11 ILE 61 1HD1 ILE 61 -1.396 7.974 -3.968 476 HD12 ILE 61 2HD1 ILE 61 -0.255 7.042 -2.938 477 HD13 ILE 61 3HD1 ILE 61 -1.758 6.313 -3.490 478 H GLU 62 H GLU 62 -5.472 10.234 -2.702 479 HA GLU 62 HA GLU 62 -8.052 8.757 -2.548 480 HB2 GLU 62 2HB GLU 62 -6.832 9.276 -0.327 481 HB3 GLU 62 3HB GLU 62 -7.040 10.968 -0.737 482 HG2 GLU 62 2HG GLU 62 -9.537 10.600 -0.768 483 HG3 GLU 62 3HG GLU 62 -9.222 8.979 -0.131 484 H ALA 63 H ALA 63 -9.942 10.319 -3.033 485 HA ALA 63 HA ALA 63 -9.145 12.773 -4.405 486 HB1 ALA 63 1HB ALA 63 -10.570 10.466 -5.821 487 HB2 ALA 63 2HB ALA 63 -10.259 12.080 -6.503 488 HB3 ALA 63 3HB ALA 63 -8.904 10.999 -6.142 489 H GLN 64 H GLN 64 -11.482 13.590 -5.417 490 HA GLN 64 HA GLN 64 -13.558 13.002 -3.416 491 HB2 GLN 64 2HB GLN 64 -11.910 15.372 -3.427 492 HB3 GLN 64 3HB GLN 64 -13.505 15.852 -4.008 493 HG2 GLN 64 2HG GLN 64 -14.538 14.744 -2.024 494 HG3 GLN 64 3HG GLN 64 -12.916 14.337 -1.429 495 HE21 GLN 64 1HE2 GLN 64 -15.057 16.128 -0.197 496 HE22 GLN 64 2HE2 GLN 64 -14.226 17.667 -0.024 497 H LEU 65 H LEU 65 -15.673 13.287 -4.294 498 HA LEU 65 HA LEU 65 -15.894 14.314 -7.039 499 HB2 LEU 65 2HB LEU 65 -15.252 11.773 -6.878 500 HB3 LEU 65 3HB LEU 65 -16.931 11.511 -6.458 501 HG LEU 65 HG LEU 65 -16.300 13.202 -8.891 502 HD11 LEU 65 1HD1 LEU 65 -15.988 11.173 -10.272 503 HD12 LEU 65 2HD1 LEU 65 -14.695 11.364 -9.079 504 HD13 LEU 65 3HD1 LEU 65 -15.987 10.174 -8.799 505 HD21 LEU 65 1HD2 LEU 65 -18.668 12.750 -8.279 506 HD22 LEU 65 2HD2 LEU 65 -18.246 12.017 -9.835 507 HD23 LEU 65 3HD2 LEU 65 -18.356 11.004 -8.378 508 HA PRO 66 HA PRO 66 -19.274 15.047 -3.889 509 HB2 PRO 66 2HB PRO 66 -19.264 17.787 -3.827 510 HB3 PRO 66 3HB PRO 66 -18.103 16.793 -2.891 511 HG2 PRO 66 2HG PRO 66 -17.659 18.109 -5.593 512 HG3 PRO 66 3HG PRO 66 -16.603 18.166 -4.146 513 HD2 PRO 66 2HD PRO 66 -16.161 16.399 -6.172 514 HD3 PRO 66 3HD PRO 66 -15.891 15.949 -4.460 515 H SER 67 H SER 67 -21.256 14.690 -4.859 516 HA SER 67 HA SER 67 -22.238 16.617 -6.846 517 HB2 SER 67 2HB SER 67 -20.840 15.063 -8.176 518 HB3 SER 67 3HB SER 67 -21.766 13.688 -7.546 519 HG SER 67 HG SER 67 -23.610 14.593 -8.510 520 H GLU 68 H GLU 68 -23.301 16.369 -4.363 521 HA GLU 68 HA GLU 68 -25.908 15.111 -4.996 522 HB2 GLU 68 2HB GLU 68 -24.355 14.657 -2.415 523 HB3 GLU 68 3HB GLU 68 -26.105 14.421 -2.575 524 HG2 GLU 68 2HG GLU 68 -25.695 12.796 -4.430 525 HG3 GLU 68 3HG GLU 68 -23.951 12.958 -4.155 526 H SER 69 H SER 69 -24.538 16.783 -2.085 527 HA SER 69 HA SER 69 -25.699 19.312 -2.781 528 HB2 SER 69 2HB SER 69 -26.730 17.738 -0.374 529 HB3 SER 69 3HB SER 69 -26.974 19.475 -0.629 530 HG SER 69 HG SER 69 -27.680 17.981 -2.805 Start of MODEL 16 1 H1 MET 1 H1 MET 1 24.075 -35.636 5.814 2 H2 MET 1 H2 MET 1 24.394 -37.099 6.509 3 H3 MET 1 H3 MET 1 23.393 -36.999 5.197 4 HA MET 1 HA MET 1 22.109 -37.364 7.132 5 HB2 MET 1 2HB MET 1 23.572 -34.913 8.138 6 HB3 MET 1 3HB MET 1 21.974 -35.368 8.756 7 HG2 MET 1 2HG MET 1 22.909 -36.812 10.132 8 HG3 MET 1 3HG MET 1 23.400 -37.786 8.755 9 HE1 MET 1 1HE MET 1 24.612 -37.544 11.737 10 HE2 MET 1 2HE MET 1 26.061 -36.527 11.902 11 HE3 MET 1 3HE MET 1 24.455 -35.773 11.796 12 H LYS 2 H LYS 2 21.913 -33.765 6.970 13 HA LYS 2 HA LYS 2 19.850 -34.042 4.876 14 HB2 LYS 2 2HB LYS 2 19.416 -33.579 7.771 15 HB3 LYS 2 3HB LYS 2 18.722 -32.305 6.766 16 HG2 LYS 2 2HG LYS 2 17.331 -33.813 5.566 17 HG3 LYS 2 3HG LYS 2 18.270 -35.219 6.080 18 HD2 LYS 2 2HD LYS 2 16.269 -35.328 7.333 19 HD3 LYS 2 3HD LYS 2 17.531 -34.815 8.443 20 HE2 LYS 2 2HE LYS 2 15.645 -33.490 8.960 21 HE3 LYS 2 3HE LYS 2 16.743 -32.412 8.090 22 HZ1 LYS 2 1HZ LYS 2 15.400 -32.750 6.116 23 HZ2 LYS 2 2HZ LYS 2 14.420 -33.812 6.907 24 HZ3 LYS 2 3HZ LYS 2 14.444 -32.231 7.348 25 H GLN 3 H GLN 3 20.430 -32.589 3.370 26 HA GLN 3 HA GLN 3 20.728 -29.832 4.082 27 HB2 GLN 3 2HB GLN 3 23.155 -30.862 4.145 28 HB3 GLN 3 3HB GLN 3 22.942 -31.073 2.402 29 HG2 GLN 3 2HG GLN 3 22.327 -28.525 2.385 30 HG3 GLN 3 3HG GLN 3 22.969 -28.501 4.030 31 HE21 GLN 3 1HE2 GLN 3 24.949 -27.357 3.770 32 HE22 GLN 3 2HE2 GLN 3 26.131 -27.837 2.559 33 H ASP 4 H ASP 4 20.077 -28.622 2.163 34 HA ASP 4 HA ASP 4 20.217 -29.815 -0.424 35 HB2 ASP 4 2HB ASP 4 18.070 -30.870 0.410 36 HB3 ASP 4 3HB ASP 4 17.381 -29.261 0.573 37 H GLY 5 H GLY 5 18.014 -27.496 1.097 38 HA2 GLY 5 2HA GLY 5 19.363 -25.154 1.262 39 HA3 GLY 5 3HA GLY 5 18.925 -25.241 -0.467 40 H GLU 6 H GLU 6 17.650 -23.184 0.893 41 HA GLU 6 HA GLU 6 14.958 -24.081 0.447 42 HB2 GLU 6 2HB GLU 6 15.390 -24.494 2.969 43 HB3 GLU 6 3HB GLU 6 15.465 -22.734 3.131 44 HG2 GLU 6 2HG GLU 6 13.187 -22.588 2.082 45 HG3 GLU 6 3HG GLU 6 13.151 -24.350 1.958 46 H GLU 7 H GLU 7 14.217 -22.457 -0.907 47 HA GLU 7 HA GLU 7 14.844 -19.671 -0.349 48 HB2 GLU 7 2HB GLU 7 15.818 -21.167 -2.817 49 HB3 GLU 7 3HB GLU 7 15.393 -19.453 -2.902 50 HG2 GLU 7 2HG GLU 7 16.981 -18.966 -1.046 51 HG3 GLU 7 3HG GLU 7 17.513 -20.657 -1.082 52 H GLY 8 H GLY 8 13.519 -18.333 -1.993 53 HA2 GLY 8 2HA GLY 8 10.845 -19.576 -2.235 54 HA3 GLY 8 3HA GLY 8 11.243 -17.851 -2.358 55 H THR 9 H THR 9 10.779 -17.170 -4.442 56 HA THR 9 HA THR 9 12.063 -18.436 -6.674 57 HB THR 9 HB THR 9 10.254 -20.018 -6.399 58 HG1 THR 9 1HG THR 9 9.501 -19.934 -8.435 59 HG21 THR 9 1HG2 THR 9 8.342 -17.661 -6.631 60 HG22 THR 9 2HG2 THR 9 7.892 -19.379 -6.672 61 HG23 THR 9 3HG2 THR 9 8.601 -18.684 -5.206 62 H GLU 10 H GLU 10 9.806 -17.121 -8.345 63 HA GLU 10 HA GLU 10 10.786 -14.539 -8.721 64 HB2 GLU 10 2HB GLU 10 8.831 -16.118 -9.852 65 HB3 GLU 10 3HB GLU 10 7.823 -14.973 -8.978 66 HG2 GLU 10 2HG GLU 10 8.134 -14.112 -11.186 67 HG3 GLU 10 3HG GLU 10 9.126 -13.105 -10.121 68 H GLU 11 H GLU 11 10.682 -12.660 -7.490 69 HA GLU 11 HA GLU 11 8.478 -12.224 -5.619 70 HB2 GLU 11 2HB GLU 11 11.208 -13.109 -4.739 71 HB3 GLU 11 3HB GLU 11 10.634 -11.630 -3.983 72 HG2 GLU 11 2HG GLU 11 8.473 -12.861 -3.425 73 HG3 GLU 11 3HG GLU 11 9.340 -14.356 -3.836 74 H ASP 12 H ASP 12 7.976 -10.212 -6.621 75 HA ASP 12 HA ASP 12 9.870 -8.093 -5.978 76 HB2 ASP 12 2HB ASP 12 10.691 -8.727 -8.226 77 HB3 ASP 12 3HB ASP 12 9.058 -8.520 -8.887 78 H THR 13 H THR 13 8.648 -6.422 -5.289 79 HA THR 13 HA THR 13 6.630 -5.771 -4.197 80 HB THR 13 HB THR 13 6.758 -4.851 -7.088 81 HG1 THR 13 1HG THR 13 7.735 -3.707 -4.682 82 HG21 THR 13 1HG2 THR 13 5.866 -2.661 -6.091 83 HG22 THR 13 2HG2 THR 13 4.671 -3.921 -6.360 84 HG23 THR 13 3HG2 THR 13 5.283 -3.630 -4.713 85 H GLU 14 H GLU 14 6.028 -8.393 -4.555 86 HA GLU 14 HA GLU 14 3.714 -8.578 -6.273 87 HB2 GLU 14 2HB GLU 14 5.761 -10.080 -6.063 88 HB3 GLU 14 3HB GLU 14 4.982 -10.833 -4.690 89 HG2 GLU 14 2HG GLU 14 3.156 -11.624 -6.059 90 HG3 GLU 14 3HG GLU 14 3.552 -10.502 -7.362 91 H GLU 15 H GLU 15 4.077 -9.923 -2.878 92 HA GLU 15 HA GLU 15 1.710 -8.255 -2.171 93 HB2 GLU 15 2HB GLU 15 0.639 -10.105 -1.041 94 HB3 GLU 15 3HB GLU 15 0.790 -10.399 -2.757 95 HG2 GLU 15 2HG GLU 15 2.597 -11.674 -0.639 96 HG3 GLU 15 3HG GLU 15 1.156 -12.403 -1.318 97 H LYS 16 H LYS 16 3.841 -7.123 -1.463 98 HA LYS 16 HA LYS 16 4.529 -8.059 1.288 99 HB2 LYS 16 2HB LYS 16 6.387 -6.709 -0.715 100 HB3 LYS 16 3HB LYS 16 6.791 -7.280 0.916 101 HG2 LYS 16 2HG LYS 16 5.901 -9.582 0.115 102 HG3 LYS 16 3HG LYS 16 5.998 -8.953 -1.516 103 HD2 LYS 16 2HD LYS 16 8.427 -8.964 0.321 104 HD3 LYS 16 3HD LYS 16 7.922 -10.392 -0.599 105 HE2 LYS 16 2HE LYS 16 7.954 -8.974 -2.673 106 HE3 LYS 16 3HE LYS 16 8.711 -7.688 -1.718 107 HZ1 LYS 16 1HZ LYS 16 9.755 -10.446 -2.080 108 HZ2 LYS 16 2HZ LYS 16 10.342 -9.148 -2.880 109 HZ3 LYS 16 3HZ LYS 16 10.516 -9.299 -1.239 110 H CYS 17 H CYS 17 3.918 -6.698 2.855 111 HA CYS 17 HA CYS 17 2.775 -4.014 2.375 112 HB2 CYS 17 2HB CYS 17 2.085 -5.765 4.131 113 HB3 CYS 17 3HB CYS 17 3.569 -5.368 4.976 114 H THR 18 H THR 18 4.306 -2.445 1.725 115 HA THR 18 HA THR 18 6.930 -2.550 3.144 116 HB THR 18 HB THR 18 7.698 -0.997 1.449 117 HG1 THR 18 1HG THR 18 5.958 0.137 0.930 118 HG21 THR 18 1HG2 THR 18 6.234 -3.329 0.117 119 HG22 THR 18 2HG2 THR 18 7.645 -2.465 -0.500 120 HG23 THR 18 3HG2 THR 18 7.792 -3.469 0.952 121 H ILE 19 H ILE 19 4.053 -1.610 4.094 122 HA ILE 19 HA ILE 19 4.852 1.088 5.009 123 HB ILE 19 HB ILE 19 2.234 -0.303 5.463 124 HG12 ILE 19 2HG1 ILE 19 3.313 1.113 3.026 125 HG13 ILE 19 3HG1 ILE 19 2.185 -0.248 3.124 126 HG21 ILE 19 1HG2 ILE 19 2.891 1.536 6.953 127 HG22 ILE 19 2HG2 ILE 19 3.009 2.585 5.517 128 HG23 ILE 19 3HG2 ILE 19 1.447 1.880 6.000 129 HD11 ILE 19 1HD1 ILE 19 1.633 2.651 3.499 130 HD12 ILE 19 2HD1 ILE 19 1.020 1.532 2.264 131 HD13 ILE 19 3HD1 ILE 19 0.460 1.376 3.938 132 H CYS 20 H CYS 20 3.387 -1.993 6.279 133 HA CYS 20 HA CYS 20 4.548 -1.578 8.975 134 HB2 CYS 20 2HB CYS 20 3.258 -3.560 9.508 135 HB3 CYS 20 3HB CYS 20 2.236 -2.340 8.736 136 H LEU 21 H LEU 21 5.902 -2.462 6.147 137 HA LEU 21 HA LEU 21 7.723 -3.624 5.528 138 HB2 LEU 21 2HB LEU 21 8.432 -3.204 8.449 139 HB3 LEU 21 3HB LEU 21 9.569 -3.530 7.150 140 HG LEU 21 HG LEU 21 7.903 -1.232 6.432 141 HD11 LEU 21 1HD1 LEU 21 7.666 -0.938 8.871 142 HD12 LEU 21 2HD1 LEU 21 9.435 -1.009 9.060 143 HD13 LEU 21 3HD1 LEU 21 8.677 0.330 8.163 144 HD21 LEU 21 1HD2 LEU 21 10.093 -1.759 5.444 145 HD22 LEU 21 2HD2 LEU 21 10.078 -0.143 6.173 146 HD23 LEU 21 3HD2 LEU 21 10.877 -1.487 7.018 147 H SER 22 H SER 22 5.841 -5.495 5.619 148 HA SER 22 HA SER 22 7.372 -7.848 6.359 149 HB2 SER 22 2HB SER 22 5.199 -8.728 7.599 150 HB3 SER 22 3HB SER 22 6.457 -7.843 8.465 151 HG SER 22 HG SER 22 5.207 -5.957 8.292 152 H ILE 23 H ILE 23 6.566 -9.775 5.367 153 HA ILE 23 HA ILE 23 4.976 -9.182 2.982 154 HB ILE 23 HB ILE 23 6.401 -11.700 3.990 155 HG12 ILE 23 2HG1 ILE 23 7.758 -11.073 1.823 156 HG13 ILE 23 3HG1 ILE 23 7.082 -9.460 2.067 157 HG21 ILE 23 1HG2 ILE 23 4.595 -12.389 2.554 158 HG22 ILE 23 2HG2 ILE 23 4.970 -11.124 1.360 159 HG23 ILE 23 3HG2 ILE 23 6.074 -12.494 1.632 160 HD11 ILE 23 1HD1 ILE 23 8.814 -10.942 4.073 161 HD12 ILE 23 2HD1 ILE 23 9.398 -9.774 2.859 162 HD13 ILE 23 3HD1 ILE 23 8.323 -9.225 4.143 163 H LEU 24 H LEU 24 3.179 -10.471 2.416 164 HA LEU 24 HA LEU 24 1.347 -10.665 4.730 165 HB2 LEU 24 2HB LEU 24 0.855 -10.584 1.697 166 HB3 LEU 24 3HB LEU 24 -0.396 -10.547 2.951 167 HG LEU 24 HG LEU 24 1.852 -8.480 2.696 168 HD11 LEU 24 1HD1 LEU 24 -0.965 -8.458 1.574 169 HD12 LEU 24 2HD1 LEU 24 0.196 -7.090 1.532 170 HD13 LEU 24 3HD1 LEU 24 0.542 -8.596 0.658 171 HD21 LEU 24 1HD2 LEU 24 0.635 -8.781 4.912 172 HD22 LEU 24 2HD2 LEU 24 0.519 -7.206 4.203 173 HD23 LEU 24 3HD2 LEU 24 -0.852 -8.352 4.062 174 H GLU 25 H GLU 25 1.338 -12.443 1.692 175 HA GLU 25 HA GLU 25 1.037 -14.607 1.209 176 HB2 GLU 25 2HB GLU 25 2.868 -16.047 1.804 177 HB3 GLU 25 3HB GLU 25 3.448 -14.420 1.478 178 HG2 GLU 25 2HG GLU 25 3.672 -13.998 3.918 179 HG3 GLU 25 3HG GLU 25 3.057 -15.620 4.259 180 H GLU 26 H GLU 26 -0.571 -13.672 3.468 181 HA GLU 26 HA GLU 26 -1.365 -16.324 4.542 182 HB2 GLU 26 2HB GLU 26 -0.956 -13.646 5.853 183 HB3 GLU 26 3HB GLU 26 -2.272 -14.656 6.443 184 HG2 GLU 26 2HG GLU 26 -0.677 -16.567 6.703 185 HG3 GLU 26 3HG GLU 26 0.651 -15.491 6.263 186 H GLY 27 H GLY 27 -2.256 -14.848 2.185 187 HA2 GLY 27 2HA GLY 27 -4.265 -14.625 0.984 188 HA3 GLY 27 3HA GLY 27 -5.055 -15.487 2.319 189 H GLU 28 H GLU 28 -3.325 -12.610 3.195 190 HA GLU 28 HA GLU 28 -5.678 -11.326 4.179 191 HB2 GLU 28 2HB GLU 28 -2.834 -10.346 3.685 192 HB3 GLU 28 3HB GLU 28 -4.079 -9.388 4.510 193 HG2 GLU 28 2HG GLU 28 -4.350 -11.230 6.187 194 HG3 GLU 28 3HG GLU 28 -2.975 -12.072 5.443 195 H ASP 29 H ASP 29 -6.731 -9.404 3.506 196 HA ASP 29 HA ASP 29 -7.044 -8.940 0.769 197 HB2 ASP 29 2HB ASP 29 -7.552 -7.125 3.163 198 HB3 ASP 29 3HB ASP 29 -8.128 -6.807 1.519 199 H VAL 30 H VAL 30 -6.318 -7.351 -0.593 200 HA VAL 30 HA VAL 30 -4.174 -5.532 0.324 201 HB VAL 30 HB VAL 30 -3.037 -5.814 -1.848 202 HG11 VAL 30 1HG1 VAL 30 -3.289 -8.430 -0.303 203 HG12 VAL 30 2HG1 VAL 30 -1.926 -7.924 -1.320 204 HG13 VAL 30 3HG1 VAL 30 -2.293 -7.040 0.175 205 HG21 VAL 30 1HG2 VAL 30 -3.465 -7.790 -3.255 206 HG22 VAL 30 2HG2 VAL 30 -4.870 -8.220 -2.264 207 HG23 VAL 30 3HG2 VAL 30 -4.878 -6.726 -3.229 208 H ARG 31 H ARG 31 -4.311 -3.488 -0.608 209 HA ARG 31 HA ARG 31 -6.637 -2.971 -2.365 210 HB2 ARG 31 2HB ARG 31 -7.269 -2.313 -0.128 211 HB3 ARG 31 3HB ARG 31 -5.748 -1.491 0.146 212 HG2 ARG 31 2HG ARG 31 -6.415 0.399 -1.048 213 HG3 ARG 31 3HG ARG 31 -7.272 -0.566 -2.251 214 HD2 ARG 31 2HD ARG 31 -8.935 0.674 -1.200 215 HD3 ARG 31 3HD ARG 31 -9.101 -0.983 -0.596 216 HE ARG 31 HE ARG 31 -7.491 0.491 1.236 217 HH11 ARG 31 1HH1 ARG 31 -10.083 1.475 3.387 218 HH12 ARG 31 2HH1 ARG 31 -8.429 1.402 3.180 219 HH21 ARG 31 1HH2 ARG 31 -11.511 1.008 1.492 220 HH22 ARG 31 2HH2 ARG 31 -10.820 0.320 0.057 221 H ARG 32 H ARG 32 -6.112 -1.554 -4.036 222 HA ARG 32 HA ARG 32 -3.288 -0.637 -4.088 223 HB2 ARG 32 2HB ARG 32 -3.357 -0.733 -6.526 224 HB3 ARG 32 3HB ARG 32 -3.637 -2.311 -5.788 225 HG2 ARG 32 2HG ARG 32 -5.269 -2.401 -7.335 226 HG3 ARG 32 3HG ARG 32 -6.222 -1.596 -6.094 227 HD2 ARG 32 2HD ARG 32 -5.536 0.616 -7.214 228 HD3 ARG 32 3HD ARG 32 -4.834 -0.367 -8.509 229 HE ARG 32 HE ARG 32 -7.484 -1.236 -8.080 230 HH11 ARG 32 1HH1 ARG 32 -9.055 0.924 -10.389 231 HH12 ARG 32 2HH1 ARG 32 -9.216 -0.522 -9.465 232 HH21 ARG 32 1HH2 ARG 32 -7.031 2.188 -10.253 233 HH22 ARG 32 2HH2 ARG 32 -5.793 1.645 -9.169 234 H LEU 33 H LEU 33 -2.983 1.499 -4.182 235 HA LEU 33 HA LEU 33 -5.095 3.367 -3.992 236 HB2 LEU 33 2HB LEU 33 -2.129 3.618 -4.726 237 HB3 LEU 33 3HB LEU 33 -3.146 4.942 -4.185 238 HG LEU 33 HG LEU 33 -2.267 2.495 -2.588 239 HD11 LEU 33 1HD1 LEU 33 -1.210 4.132 -1.136 240 HD12 LEU 33 2HD1 LEU 33 -0.629 4.294 -2.810 241 HD13 LEU 33 3HD1 LEU 33 -1.782 5.458 -2.159 242 HD21 LEU 33 1HD2 LEU 33 -4.438 2.703 -1.788 243 HD22 LEU 33 2HD2 LEU 33 -3.549 3.777 -0.694 244 HD23 LEU 33 3HD2 LEU 33 -4.498 4.449 -2.023 245 HA PRO 34 HA PRO 34 -5.769 4.236 -8.321 246 HB2 PRO 34 2HB PRO 34 -6.061 6.978 -8.344 247 HB3 PRO 34 3HB PRO 34 -7.308 5.837 -7.754 248 HG2 PRO 34 2HG PRO 34 -5.279 7.387 -6.125 249 HG3 PRO 34 3HG PRO 34 -7.034 7.184 -5.816 250 HD2 PRO 34 2HD PRO 34 -5.170 5.668 -4.550 251 HD3 PRO 34 3HD PRO 34 -6.737 4.973 -5.047 252 H CYS 35 H CYS 35 -2.964 5.293 -6.556 253 HA CYS 35 HA CYS 35 -1.612 6.540 -8.919 254 HB2 CYS 35 2HB CYS 35 -0.244 7.487 -7.377 255 HB3 CYS 35 3HB CYS 35 -1.754 7.449 -6.459 256 H MET 36 H MET 36 -2.356 3.673 -8.889 257 HA MET 36 HA MET 36 -1.586 1.580 -8.872 258 HB2 MET 36 2HB MET 36 0.649 2.913 -10.466 259 HB3 MET 36 3HB MET 36 0.312 1.177 -10.419 260 HG2 MET 36 2HG MET 36 -0.805 1.779 -12.327 261 HG3 MET 36 3HG MET 36 -2.104 1.840 -11.136 262 HE1 MET 36 1HE MET 36 -3.750 3.384 -12.598 263 HE2 MET 36 2HE MET 36 -3.072 4.604 -13.701 264 HE3 MET 36 3HE MET 36 -2.554 2.907 -13.829 265 H HIS 37 H HIS 37 -1.265 1.517 -6.529 266 HA HIS 37 HA HIS 37 1.467 0.577 -6.027 267 HB2 HIS 37 1HB HIS 37 0.341 3.084 -4.841 268 HB3 HIS 37 2HB HIS 37 1.067 1.953 -3.705 269 HD2 HIS 37 2HD HIS 37 3.619 1.189 -4.095 270 HE1 HIS 37 1HE HIS 37 4.725 4.486 -6.557 271 HE2 HIS 37 2HE HIS 37 5.608 2.502 -5.194 272 H LEU 38 H LEU 38 1.158 -1.421 -5.191 273 HA LEU 38 HA LEU 38 -1.378 -2.264 -3.987 274 HB2 LEU 38 2HB LEU 38 -0.257 -3.857 -5.388 275 HB3 LEU 38 3HB LEU 38 1.302 -3.588 -4.618 276 HG LEU 38 HG LEU 38 -0.847 -4.609 -2.790 277 HD11 LEU 38 1HD1 LEU 38 -1.361 -5.890 -4.796 278 HD12 LEU 38 2HD1 LEU 38 0.354 -6.332 -4.974 279 HD13 LEU 38 3HD1 LEU 38 -0.576 -6.917 -3.584 280 HD21 LEU 38 1HD2 LEU 38 0.960 -5.974 -1.925 281 HD22 LEU 38 2HD2 LEU 38 2.013 -5.529 -3.284 282 HD23 LEU 38 3HD2 LEU 38 1.558 -4.319 -2.069 283 H PHE 39 H PHE 39 -1.723 -2.448 -1.781 284 HA PHE 39 HA PHE 39 0.573 -2.697 -0.023 285 HB2 PHE 39 2HB PHE 39 -1.511 -0.505 0.235 286 HB3 PHE 39 3HB PHE 39 -0.450 -0.989 1.561 287 HD1 PHE 39 1HD PHE 39 -0.893 1.554 -0.688 288 HD2 PHE 39 2HD PHE 39 2.202 -1.168 0.577 289 HE1 PHE 39 1HE PHE 39 0.856 3.161 -1.443 290 HE2 PHE 39 2HE PHE 39 3.916 0.414 -0.238 291 HZ PHE 39 HZ PHE 39 3.249 2.586 -1.235 292 H HIS 40 H HIS 40 -0.213 -3.410 2.104 293 HA HIS 40 HA HIS 40 -2.295 -5.432 2.058 294 HB2 HIS 40 1HB HIS 40 -0.192 -5.473 3.320 295 HB3 HIS 40 2HB HIS 40 -0.600 -3.986 4.081 296 HD2 HIS 40 2HD HIS 40 -3.092 -6.940 4.236 297 HE1 HIS 40 1HE HIS 40 -1.213 -6.532 8.035 298 HE2 HIS 40 2HE HIS 40 -2.943 -7.800 6.722 299 H GLN 41 H GLN 41 -4.445 -5.204 2.908 300 HA GLN 41 HA GLN 41 -5.711 -2.745 2.793 301 HB2 GLN 41 2HB GLN 41 -6.678 -5.065 2.753 302 HB3 GLN 41 3HB GLN 41 -6.565 -5.101 4.514 303 HG2 GLN 41 2HG GLN 41 -8.578 -4.086 4.637 304 HG3 GLN 41 3HG GLN 41 -7.920 -2.664 3.826 305 HE21 GLN 41 1HE2 GLN 41 -10.197 -5.269 3.517 306 HE22 GLN 41 2HE2 GLN 41 -10.453 -5.097 1.799 307 H VAL 42 H VAL 42 -4.074 -4.169 5.536 308 HA VAL 42 HA VAL 42 -5.027 -2.067 7.393 309 HB VAL 42 HB VAL 42 -3.127 -4.404 7.793 310 HG11 VAL 42 1HG1 VAL 42 -4.280 -2.457 9.829 311 HG12 VAL 42 2HG1 VAL 42 -3.482 -3.992 10.239 312 HG13 VAL 42 3HG1 VAL 42 -2.563 -2.706 9.452 313 HG21 VAL 42 1HG2 VAL 42 -5.492 -5.064 7.376 314 HG22 VAL 42 2HG2 VAL 42 -5.006 -5.399 9.041 315 HG23 VAL 42 3HG2 VAL 42 -6.011 -3.978 8.684 316 H CYS 43 H CYS 43 -2.147 -2.598 5.356 317 HA CYS 43 HA CYS 43 -0.243 -0.806 6.775 318 HB2 CYS 43 2HB CYS 43 -0.635 -1.936 3.969 319 HB3 CYS 43 3HB CYS 43 0.474 -0.690 4.299 320 H VAL 44 H VAL 44 -2.398 -0.688 3.970 321 HA VAL 44 HA VAL 44 -1.726 1.891 3.308 322 HB VAL 44 HB VAL 44 -2.755 0.172 1.846 323 HG11 VAL 44 1HG1 VAL 44 -5.450 0.862 3.020 324 HG12 VAL 44 2HG1 VAL 44 -5.074 -0.315 1.765 325 HG13 VAL 44 3HG1 VAL 44 -4.520 -0.599 3.405 326 HG21 VAL 44 1HG2 VAL 44 -4.327 1.618 0.549 327 HG22 VAL 44 2HG2 VAL 44 -4.233 2.822 1.853 328 HG23 VAL 44 3HG2 VAL 44 -2.776 2.369 0.923 329 H ASP 45 H ASP 45 -4.508 0.589 5.228 330 HA ASP 45 HA ASP 45 -5.484 3.234 5.873 331 HB2 ASP 45 2HB ASP 45 -6.313 0.429 6.670 332 HB3 ASP 45 3HB ASP 45 -7.073 1.864 7.356 333 H GLN 46 H GLN 46 -2.818 2.974 6.607 334 HA GLN 46 HA GLN 46 -3.079 3.824 9.398 335 HB2 GLN 46 2HB GLN 46 -1.602 1.414 8.500 336 HB3 GLN 46 3HB GLN 46 -0.545 2.555 9.321 337 HG2 GLN 46 2HG GLN 46 -3.208 1.720 10.523 338 HG3 GLN 46 3HG GLN 46 -1.738 0.763 10.733 339 HE21 GLN 46 1HE2 GLN 46 -0.921 1.157 12.799 340 HE22 GLN 46 2HE2 GLN 46 -0.770 2.784 13.452 341 H ARG 47 H ARG 47 -0.626 3.353 6.749 342 HA ARG 47 HA ARG 47 0.529 5.962 7.387 343 HB2 ARG 47 2HB ARG 47 1.963 4.307 6.464 344 HB3 ARG 47 3HB ARG 47 0.911 4.072 5.052 345 HG2 ARG 47 2HG ARG 47 1.453 6.339 4.253 346 HG3 ARG 47 3HG ARG 47 2.465 6.625 5.676 347 HD2 ARG 47 2HD ARG 47 2.941 4.383 3.662 348 HD3 ARG 47 3HD ARG 47 3.642 5.975 3.479 349 HE ARG 47 HE ARG 47 4.426 3.881 5.355 350 HH11 ARG 47 1HH1 ARG 47 7.195 5.677 6.512 351 HH12 ARG 47 2HH1 ARG 47 6.415 4.142 6.473 352 HH21 ARG 47 1HH2 ARG 47 6.201 7.534 5.408 353 HH22 ARG 47 2HH2 ARG 47 4.688 7.306 4.601 354 H LEU 48 H LEU 48 -1.903 4.856 4.948 355 HA LEU 48 HA LEU 48 -1.702 7.499 3.675 356 HB2 LEU 48 2HB LEU 48 -3.274 5.011 2.890 357 HB3 LEU 48 3HB LEU 48 -3.434 6.561 2.119 358 HG LEU 48 HG LEU 48 -1.999 5.363 0.739 359 HD11 LEU 48 1HD1 LEU 48 -1.250 7.705 1.279 360 HD12 LEU 48 2HD1 LEU 48 -0.037 6.996 2.375 361 HD13 LEU 48 3HD1 LEU 48 0.010 6.633 0.643 362 HD21 LEU 48 1HD2 LEU 48 0.224 4.399 1.555 363 HD22 LEU 48 2HD2 LEU 48 -0.458 4.468 3.188 364 HD23 LEU 48 3HD2 LEU 48 -1.239 3.500 1.939 365 H ILE 49 H ILE 49 -3.857 5.824 5.975 366 HA ILE 49 HA ILE 49 -5.899 7.768 5.709 367 HB ILE 49 HB ILE 49 -6.585 7.137 8.007 368 HG12 ILE 49 2HG1 ILE 49 -5.530 4.937 8.762 369 HG13 ILE 49 3HG1 ILE 49 -4.090 5.472 7.911 370 HG21 ILE 49 1HG2 ILE 49 -6.189 5.159 5.764 371 HG22 ILE 49 2HG2 ILE 49 -7.145 4.767 7.222 372 HG23 ILE 49 3HG2 ILE 49 -7.609 6.114 6.178 373 HD11 ILE 49 1HD1 ILE 49 -5.528 6.948 10.162 374 HD12 ILE 49 2HD1 ILE 49 -4.003 6.054 10.306 375 HD13 ILE 49 3HD1 ILE 49 -4.062 7.532 9.345 376 H THR 50 H THR 50 -2.686 8.381 6.679 377 HA THR 50 HA THR 50 -3.662 10.933 7.873 378 HB THR 50 HB THR 50 -2.764 9.419 9.592 379 HG1 THR 50 1HG THR 50 -2.512 11.649 9.820 380 HG21 THR 50 1HG2 THR 50 -0.372 8.907 9.708 381 HG22 THR 50 2HG2 THR 50 -1.115 8.150 8.295 382 HG23 THR 50 3HG2 THR 50 -0.120 9.610 8.098 383 H ASN 51 H ASN 51 -3.205 10.223 5.023 384 HA ASN 51 HA ASN 51 -1.329 12.345 4.418 385 HB2 ASN 51 2HB ASN 51 -0.049 10.052 4.880 386 HB3 ASN 51 3HB ASN 51 -0.637 9.624 3.270 387 HD21 ASN 51 1HD2 ASN 51 2.115 9.887 3.951 388 HD22 ASN 51 2HD2 ASN 51 2.749 11.299 3.108 389 H LYS 52 H LYS 52 -1.199 12.524 1.861 390 HA LYS 52 HA LYS 52 -3.049 10.921 0.369 391 HB2 LYS 52 2HB LYS 52 -4.472 12.870 -0.429 392 HB3 LYS 52 3HB LYS 52 -4.825 12.197 1.149 393 HG2 LYS 52 2HG LYS 52 -2.951 14.352 1.574 394 HG3 LYS 52 3HG LYS 52 -4.203 14.923 0.471 395 HD2 LYS 52 2HD LYS 52 -5.965 14.251 2.001 396 HD3 LYS 52 3HD LYS 52 -4.811 13.465 3.090 397 HE2 LYS 52 2HE LYS 52 -4.116 15.396 4.025 398 HE3 LYS 52 3HE LYS 52 -4.119 16.276 2.482 399 HZ1 LYS 52 1HZ LYS 52 -5.792 17.131 3.997 400 HZ2 LYS 52 2HZ LYS 52 -6.535 16.429 2.687 401 HZ3 LYS 52 3HZ LYS 52 -6.482 15.650 4.115 402 H LYS 53 H LYS 53 -0.742 10.706 -0.315 403 HA LYS 53 HA LYS 53 -0.455 12.155 -2.728 404 HB2 LYS 53 2HB LYS 53 1.936 12.915 -2.288 405 HB3 LYS 53 3HB LYS 53 0.641 13.918 -1.648 406 HG2 LYS 53 2HG LYS 53 0.999 13.294 0.556 407 HG3 LYS 53 3HG LYS 53 1.908 11.823 0.147 408 HD2 LYS 53 2HD LYS 53 2.907 14.608 -0.535 409 HD3 LYS 53 3HD LYS 53 3.258 13.826 1.021 410 HE2 LYS 53 2HE LYS 53 4.411 12.006 -0.004 411 HE3 LYS 53 3HE LYS 53 3.832 12.428 -1.619 412 HZ1 LYS 53 1HZ LYS 53 6.129 13.091 -1.233 413 HZ2 LYS 53 2HZ LYS 53 5.174 14.384 -1.576 414 HZ3 LYS 53 3HZ LYS 53 5.660 14.110 -0.027 415 H CYS 54 H CYS 54 1.006 10.964 -4.177 416 HA CYS 54 HA CYS 54 2.012 8.326 -3.106 417 HB2 CYS 54 2HB CYS 54 0.231 8.567 -5.004 418 HB3 CYS 54 3HB CYS 54 1.520 9.221 -5.927 419 HA PRO 55 HA PRO 55 5.852 10.371 -3.506 420 HB2 PRO 55 2HB PRO 55 7.659 8.262 -3.349 421 HB3 PRO 55 3HB PRO 55 6.742 8.918 -1.964 422 HG2 PRO 55 2HG PRO 55 6.059 6.500 -3.658 423 HG3 PRO 55 3HG PRO 55 6.028 6.659 -1.877 424 HD2 PRO 55 2HD PRO 55 3.781 6.891 -3.383 425 HD3 PRO 55 3HD PRO 55 4.028 7.907 -1.932 426 H ILE 56 H ILE 56 6.475 7.354 -5.430 427 HA ILE 56 HA ILE 56 7.718 9.112 -7.429 428 HB ILE 56 HB ILE 56 7.636 6.074 -7.167 429 HG12 ILE 56 2HG1 ILE 56 10.269 7.127 -6.795 430 HG13 ILE 56 3HG1 ILE 56 9.222 8.161 -5.844 431 HG21 ILE 56 1HG2 ILE 56 9.291 7.832 -9.033 432 HG22 ILE 56 2HG2 ILE 56 9.621 6.113 -8.705 433 HG23 ILE 56 3HG2 ILE 56 8.132 6.572 -9.502 434 HD11 ILE 56 1HD1 ILE 56 10.036 6.267 -4.515 435 HD12 ILE 56 2HD1 ILE 56 8.276 6.132 -4.719 436 HD13 ILE 56 3HD1 ILE 56 9.368 5.117 -5.691 437 H CYS 57 H CYS 57 5.229 9.776 -7.395 438 HA CYS 57 HA CYS 57 3.727 8.716 -9.796 439 HB2 CYS 57 2HB CYS 57 3.156 8.561 -6.866 440 HB3 CYS 57 3HB CYS 57 1.829 8.589 -8.086 441 H ARG 58 H ARG 58 3.561 10.709 -6.796 442 HA ARG 58 HA ARG 58 2.854 12.761 -6.328 443 HB2 ARG 58 2HB ARG 58 4.366 13.134 -8.855 444 HB3 ARG 58 3HB ARG 58 3.296 14.466 -8.424 445 HG2 ARG 58 2HG ARG 58 4.479 15.075 -6.594 446 HG3 ARG 58 3HG ARG 58 4.897 13.418 -6.144 447 HD2 ARG 58 2HD ARG 58 6.879 14.785 -6.822 448 HD3 ARG 58 3HD ARG 58 6.659 13.279 -7.709 449 HE ARG 58 HE ARG 58 6.332 14.394 -9.644 450 HH11 ARG 58 1HH1 ARG 58 6.329 17.824 -10.407 451 HH12 ARG 58 2HH1 ARG 58 6.437 16.226 -11.042 452 HH21 ARG 58 1HH2 ARG 58 6.091 18.143 -8.064 453 HH22 ARG 58 2HH2 ARG 58 6.026 16.752 -7.038 454 H VAL 59 H VAL 59 0.825 11.621 -6.255 455 HA VAL 59 HA VAL 59 -1.121 13.371 -7.506 456 HB VAL 59 HB VAL 59 -0.678 11.059 -8.807 457 HG11 VAL 59 1HG1 VAL 59 -1.160 9.663 -6.795 458 HG12 VAL 59 2HG1 VAL 59 -2.853 10.204 -6.874 459 HG13 VAL 59 3HG1 VAL 59 -2.163 9.284 -8.216 460 HG21 VAL 59 1HG2 VAL 59 -3.022 11.184 -9.631 461 HG22 VAL 59 2HG2 VAL 59 -3.450 12.227 -8.258 462 HG23 VAL 59 3HG2 VAL 59 -2.292 12.794 -9.484 463 H ASP 60 H ASP 60 -3.142 13.309 -6.225 464 HA ASP 60 HA ASP 60 -2.693 12.698 -3.421 465 HB2 ASP 60 2HB ASP 60 -4.967 13.601 -3.144 466 HB3 ASP 60 3HB ASP 60 -3.845 14.711 -3.927 467 H ILE 61 H ILE 61 -3.192 10.778 -2.481 468 HA ILE 61 HA ILE 61 -4.142 8.560 -3.997 469 HB ILE 61 HB ILE 61 -3.938 8.928 -0.971 470 HG12 ILE 61 2HG1 ILE 61 -1.791 9.534 -1.712 471 HG13 ILE 61 3HG1 ILE 61 -1.673 7.877 -1.154 472 HG21 ILE 61 1HG2 ILE 61 -5.064 6.869 -1.550 473 HG22 ILE 61 2HG2 ILE 61 -3.795 6.436 -2.704 474 HG23 ILE 61 3HG2 ILE 61 -3.435 6.515 -0.962 475 HD11 ILE 61 1HD1 ILE 61 -0.486 7.906 -3.136 476 HD12 ILE 61 2HD1 ILE 61 -2.037 7.234 -3.656 477 HD13 ILE 61 3HD1 ILE 61 -1.695 8.943 -3.971 478 H GLU 62 H GLU 62 -5.587 10.944 -1.921 479 HA GLU 62 HA GLU 62 -7.929 9.477 -1.135 480 HB2 GLU 62 2HB GLU 62 -6.624 11.410 -0.014 481 HB3 GLU 62 3HB GLU 62 -7.507 12.501 -1.073 482 HG2 GLU 62 2HG GLU 62 -9.028 10.470 0.588 483 HG3 GLU 62 3HG GLU 62 -8.285 11.841 1.417 484 H ALA 63 H ALA 63 -10.227 10.331 -1.781 485 HA ALA 63 HA ALA 63 -10.419 11.426 -4.447 486 HB1 ALA 63 1HB ALA 63 -11.274 9.362 -5.544 487 HB2 ALA 63 2HB ALA 63 -9.573 9.200 -5.071 488 HB3 ALA 63 3HB ALA 63 -10.842 8.421 -4.097 489 H GLN 64 H GLN 64 -11.623 12.410 -2.327 490 HA GLN 64 HA GLN 64 -13.576 13.079 -1.455 491 HB2 GLN 64 2HB GLN 64 -14.418 12.153 -4.156 492 HB3 GLN 64 3HB GLN 64 -15.720 12.254 -2.976 493 HG2 GLN 64 2HG GLN 64 -13.765 14.549 -3.311 494 HG3 GLN 64 3HG GLN 64 -15.151 14.345 -4.391 495 HE21 GLN 64 1HE2 GLN 64 -16.456 16.104 -3.709 496 HE22 GLN 64 2HE2 GLN 64 -17.083 16.171 -2.066 497 H LEU 65 H LEU 65 -12.634 11.473 0.059 498 HA LEU 65 HA LEU 65 -14.528 9.237 0.591 499 HB2 LEU 65 2HB LEU 65 -12.231 8.563 -0.155 500 HB3 LEU 65 3HB LEU 65 -11.555 9.516 1.165 501 HG LEU 65 HG LEU 65 -13.183 7.957 2.644 502 HD11 LEU 65 1HD1 LEU 65 -12.510 6.176 0.279 503 HD12 LEU 65 2HD1 LEU 65 -13.311 5.695 1.792 504 HD13 LEU 65 3HD1 LEU 65 -14.133 6.792 0.665 505 HD21 LEU 65 1HD2 LEU 65 -10.494 7.063 1.541 506 HD22 LEU 65 2HD2 LEU 65 -10.760 8.155 2.921 507 HD23 LEU 65 3HD2 LEU 65 -11.274 6.468 3.033 508 HA PRO 66 HA PRO 66 -14.941 11.600 4.447 509 HB2 PRO 66 2HB PRO 66 -16.702 9.982 5.767 510 HB3 PRO 66 3HB PRO 66 -17.196 10.970 4.355 511 HG2 PRO 66 2HG PRO 66 -16.383 8.044 4.383 512 HG3 PRO 66 3HG PRO 66 -17.843 8.776 3.639 513 HD2 PRO 66 2HD PRO 66 -15.576 8.239 2.209 514 HD3 PRO 66 3HD PRO 66 -16.588 9.675 1.853 515 H SER 67 H SER 67 -14.648 11.005 6.868 516 HA SER 67 HA SER 67 -13.157 10.378 8.454 517 HB2 SER 67 2HB SER 67 -13.403 7.651 7.143 518 HB3 SER 67 3HB SER 67 -12.814 7.998 8.781 519 HG SER 67 HG SER 67 -15.006 7.468 8.828 520 H GLU 68 H GLU 68 -11.881 11.814 6.841 521 HA GLU 68 HA GLU 68 -9.459 10.645 5.733 522 HB2 GLU 68 2HB GLU 68 -10.819 13.187 5.746 523 HB3 GLU 68 3HB GLU 68 -9.227 13.483 6.409 524 HG2 GLU 68 2HG GLU 68 -9.516 11.859 3.862 525 HG3 GLU 68 3HG GLU 68 -9.677 13.614 3.827 526 H SER 69 H SER 69 -9.918 12.913 8.517 527 HA SER 69 HA SER 69 -7.481 11.783 9.751 528 HB2 SER 69 2HB SER 69 -7.918 14.309 9.607 529 HB3 SER 69 3HB SER 69 -9.249 14.046 10.762 530 HG SER 69 HG SER 69 -7.561 12.910 12.028 Start of MODEL 17 1 H1 MET 1 H1 MET 1 26.136 -34.110 4.542 2 H2 MET 1 H2 MET 1 25.792 -35.478 5.401 3 H3 MET 1 H3 MET 1 25.932 -35.542 3.758 4 HA MET 1 HA MET 1 23.667 -35.673 4.377 5 HB2 MET 1 2HB MET 1 24.353 -33.815 6.363 6 HB3 MET 1 3HB MET 1 23.342 -32.892 5.260 7 HG2 MET 1 2HG MET 1 21.754 -33.780 6.605 8 HG3 MET 1 3HG MET 1 21.764 -35.004 5.340 9 HE1 MET 1 1HE MET 1 22.113 -37.518 5.826 10 HE2 MET 1 2HE MET 1 23.864 -37.171 5.826 11 HE3 MET 1 3HE MET 1 23.148 -38.140 7.128 12 H LYS 2 H LYS 2 24.388 -32.156 3.671 13 HA LYS 2 HA LYS 2 24.311 -32.678 0.823 14 HB2 LYS 2 2HB LYS 2 21.858 -32.390 1.957 15 HB3 LYS 2 3HB LYS 2 22.290 -30.681 1.859 16 HG2 LYS 2 2HG LYS 2 22.669 -30.948 -0.599 17 HG3 LYS 2 3HG LYS 2 22.284 -32.678 -0.453 18 HD2 LYS 2 2HD LYS 2 20.024 -32.057 0.453 19 HD3 LYS 2 3HD LYS 2 20.407 -30.349 0.136 20 HE2 LYS 2 2HE LYS 2 20.735 -30.892 -2.275 21 HE3 LYS 2 3HE LYS 2 20.349 -32.589 -1.941 22 HZ1 LYS 2 1HZ LYS 2 18.515 -30.305 -1.565 23 HZ2 LYS 2 2HZ LYS 2 18.444 -31.407 -2.780 24 HZ3 LYS 2 3HZ LYS 2 18.152 -31.878 -1.232 25 H GLN 3 H GLN 3 25.135 -30.660 -0.278 26 HA GLN 3 HA GLN 3 25.649 -28.352 1.405 27 HB2 GLN 3 2HB GLN 3 27.692 -30.241 1.292 28 HB3 GLN 3 3HB GLN 3 28.072 -29.262 -0.109 29 HG2 GLN 3 2HG GLN 3 29.143 -27.885 1.306 30 HG3 GLN 3 3HG GLN 3 27.563 -27.322 1.842 31 HE21 GLN 3 1HE2 GLN 3 27.150 -27.583 4.100 32 HE22 GLN 3 2HE2 GLN 3 28.104 -28.680 5.087 33 H ASP 4 H ASP 4 24.732 -26.822 0.018 34 HA ASP 4 HA ASP 4 25.468 -26.765 -2.788 35 HB2 ASP 4 2HB ASP 4 23.729 -28.577 -2.718 36 HB3 ASP 4 3HB ASP 4 22.571 -27.421 -2.084 37 H GLY 5 H GLY 5 22.471 -25.732 -1.168 38 HA2 GLY 5 2HA GLY 5 23.218 -23.342 -0.018 39 HA3 GLY 5 3HA GLY 5 22.885 -22.950 -1.723 40 H GLU 6 H GLU 6 21.063 -21.656 -0.555 41 HA GLU 6 HA GLU 6 18.656 -23.151 -1.027 42 HB2 GLU 6 2HB GLU 6 17.534 -22.488 1.034 43 HB3 GLU 6 3HB GLU 6 18.909 -23.532 1.399 44 HG2 GLU 6 2HG GLU 6 20.267 -21.489 1.963 45 HG3 GLU 6 3HG GLU 6 18.828 -20.494 1.694 46 H GLU 7 H GLU 7 16.870 -21.532 -1.498 47 HA GLU 7 HA GLU 7 17.522 -18.759 -1.377 48 HB2 GLU 7 2HB GLU 7 18.605 -20.040 -3.628 49 HB3 GLU 7 3HB GLU 7 17.071 -19.407 -4.232 50 HG2 GLU 7 2HG GLU 7 17.676 -17.164 -3.247 51 HG3 GLU 7 3HG GLU 7 19.228 -17.837 -2.740 52 H GLY 8 H GLY 8 15.685 -17.682 -3.054 53 HA2 GLY 8 2HA GLY 8 13.123 -18.933 -2.164 54 HA3 GLY 8 3HA GLY 8 13.391 -17.204 -2.436 55 H THR 9 H THR 9 12.008 -16.717 -4.197 56 HA THR 9 HA THR 9 12.668 -17.836 -6.738 57 HB THR 9 HB THR 9 11.298 -19.667 -5.842 58 HG1 THR 9 1HG THR 9 11.136 -19.381 -7.989 59 HG21 THR 9 1HG2 THR 9 8.903 -19.377 -5.420 60 HG22 THR 9 2HG2 THR 9 9.883 -18.462 -4.260 61 HG23 THR 9 3HG2 THR 9 9.062 -17.619 -5.588 62 H GLU 10 H GLU 10 9.901 -16.987 -7.683 63 HA GLU 10 HA GLU 10 10.346 -14.325 -8.384 64 HB2 GLU 10 2HB GLU 10 8.530 -16.273 -9.006 65 HB3 GLU 10 3HB GLU 10 7.533 -15.310 -7.930 66 HG2 GLU 10 2HG GLU 10 7.099 -14.431 -10.064 67 HG3 GLU 10 3HG GLU 10 8.262 -13.277 -9.392 68 H GLU 11 H GLU 11 10.321 -12.420 -7.107 69 HA GLU 11 HA GLU 11 8.309 -12.101 -5.082 70 HB2 GLU 11 2HB GLU 11 10.097 -13.635 -3.951 71 HB3 GLU 11 3HB GLU 11 11.158 -12.240 -3.995 72 HG2 GLU 11 2HG GLU 11 8.889 -11.104 -2.946 73 HG3 GLU 11 3HG GLU 11 8.664 -12.754 -2.395 74 H ASP 12 H ASP 12 8.263 -10.237 -6.828 75 HA ASP 12 HA ASP 12 10.112 -8.064 -5.960 76 HB2 ASP 12 2HB ASP 12 10.903 -9.359 -8.053 77 HB3 ASP 12 3HB ASP 12 9.584 -8.536 -8.898 78 H THR 13 H THR 13 8.953 -6.365 -5.394 79 HA THR 13 HA THR 13 6.908 -5.548 -4.569 80 HB THR 13 HB THR 13 7.201 -4.556 -7.422 81 HG1 THR 13 1HG THR 13 8.321 -3.590 -5.003 82 HG21 THR 13 1HG2 THR 13 5.933 -3.303 -4.935 83 HG22 THR 13 2HG2 THR 13 6.505 -2.350 -6.328 84 HG23 THR 13 3HG2 THR 13 5.198 -3.510 -6.540 85 H GLU 14 H GLU 14 6.295 -8.171 -5.180 86 HA GLU 14 HA GLU 14 3.672 -8.185 -6.474 87 HB2 GLU 14 2HB GLU 14 5.536 -10.155 -5.158 88 HB3 GLU 14 3HB GLU 14 3.843 -10.611 -5.331 89 HG2 GLU 14 2HG GLU 14 3.859 -10.443 -7.683 90 HG3 GLU 14 3HG GLU 14 5.351 -9.504 -7.708 91 H GLU 15 H GLU 15 4.048 -9.774 -3.328 92 HA GLU 15 HA GLU 15 1.790 -8.038 -2.421 93 HB2 GLU 15 2HB GLU 15 2.214 -11.006 -2.562 94 HB3 GLU 15 3HB GLU 15 1.382 -10.379 -1.155 95 HG2 GLU 15 2HG GLU 15 -0.290 -10.931 -2.731 96 HG3 GLU 15 3HG GLU 15 -0.242 -9.181 -2.537 97 H LYS 16 H LYS 16 3.729 -6.752 -1.719 98 HA LYS 16 HA LYS 16 4.636 -7.668 1.001 99 HB2 LYS 16 2HB LYS 16 6.404 -6.276 -1.042 100 HB3 LYS 16 3HB LYS 16 6.857 -6.917 0.542 101 HG2 LYS 16 2HG LYS 16 6.085 -9.192 -0.329 102 HG3 LYS 16 3HG LYS 16 5.999 -8.494 -1.932 103 HD2 LYS 16 2HD LYS 16 8.550 -8.381 -0.277 104 HD3 LYS 16 3HD LYS 16 8.106 -9.797 -1.231 105 HE2 LYS 16 2HE LYS 16 7.940 -8.390 -3.266 106 HE3 LYS 16 3HE LYS 16 8.439 -6.978 -2.330 107 HZ1 LYS 16 1HZ LYS 16 10.504 -8.415 -1.800 108 HZ2 LYS 16 2HZ LYS 16 10.002 -9.454 -2.857 109 HZ3 LYS 16 3HZ LYS 16 10.389 -7.999 -3.426 110 H CYS 17 H CYS 17 3.624 -6.331 2.278 111 HA CYS 17 HA CYS 17 2.792 -3.541 2.063 112 HB2 CYS 17 2HB CYS 17 2.054 -5.462 3.578 113 HB3 CYS 17 3HB CYS 17 3.535 -5.226 4.445 114 H THR 18 H THR 18 4.483 -2.031 1.503 115 HA THR 18 HA THR 18 7.102 -2.377 2.840 116 HB THR 18 HB THR 18 7.659 -0.409 1.366 117 HG1 THR 18 1HG THR 18 6.042 0.091 -0.187 118 HG21 THR 18 1HG2 THR 18 6.458 -2.839 -0.078 119 HG22 THR 18 2HG2 THR 18 7.588 -1.676 -0.780 120 HG23 THR 18 3HG2 THR 18 8.100 -2.724 0.552 121 H ILE 19 H ILE 19 4.267 -1.483 3.993 122 HA ILE 19 HA ILE 19 4.954 1.150 5.103 123 HB ILE 19 HB ILE 19 2.544 -0.585 5.234 124 HG12 ILE 19 2HG1 ILE 19 3.382 1.322 3.161 125 HG13 ILE 19 3HG1 ILE 19 2.324 -0.113 3.085 126 HG21 ILE 19 1HG2 ILE 19 2.739 1.001 7.162 127 HG22 ILE 19 2HG2 ILE 19 2.936 2.323 6.002 128 HG23 ILE 19 3HG2 ILE 19 1.394 1.453 6.141 129 HD11 ILE 19 1HD1 ILE 19 0.500 1.114 4.017 130 HD12 ILE 19 2HD1 ILE 19 1.516 2.594 4.075 131 HD13 ILE 19 3HD1 ILE 19 1.112 1.830 2.515 132 H CYS 20 H CYS 20 3.263 -1.716 6.598 133 HA CYS 20 HA CYS 20 4.829 -1.519 9.116 134 HB2 CYS 20 2HB CYS 20 3.004 -3.225 9.692 135 HB3 CYS 20 3HB CYS 20 2.535 -1.551 9.463 136 H LEU 21 H LEU 21 6.346 -2.241 6.892 137 HA LEU 21 HA LEU 21 7.231 -4.050 5.674 138 HB2 LEU 21 2HB LEU 21 9.108 -4.861 7.062 139 HB3 LEU 21 3HB LEU 21 8.938 -3.117 7.002 140 HG LEU 21 HG LEU 21 7.611 -4.490 9.329 141 HD11 LEU 21 1HD1 LEU 21 9.742 -5.699 9.186 142 HD12 LEU 21 2HD1 LEU 21 10.631 -4.160 9.074 143 HD13 LEU 21 3HD1 LEU 21 9.751 -4.584 10.562 144 HD21 LEU 21 1HD2 LEU 21 8.421 -2.509 10.517 145 HD22 LEU 21 2HD2 LEU 21 9.373 -2.005 9.105 146 HD23 LEU 21 3HD2 LEU 21 7.602 -1.989 9.039 147 H SER 22 H SER 22 5.315 -5.341 5.335 148 HA SER 22 HA SER 22 5.442 -7.968 6.732 149 HB2 SER 22 2HB SER 22 2.735 -7.666 6.069 150 HB3 SER 22 3HB SER 22 3.443 -7.631 7.682 151 HG SER 22 HG SER 22 3.720 -5.431 7.473 152 H ILE 23 H ILE 23 5.218 -9.728 5.386 153 HA ILE 23 HA ILE 23 4.764 -9.133 2.505 154 HB ILE 23 HB ILE 23 5.406 -11.795 3.782 155 HG12 ILE 23 2HG1 ILE 23 7.327 -10.523 4.401 156 HG13 ILE 23 3HG1 ILE 23 7.764 -11.465 2.989 157 HG21 ILE 23 1HG2 ILE 23 6.243 -12.190 1.395 158 HG22 ILE 23 2HG2 ILE 23 4.502 -12.033 1.615 159 HG23 ILE 23 3HG2 ILE 23 5.419 -10.673 0.975 160 HD11 ILE 23 1HD1 ILE 23 8.690 -9.264 2.721 161 HD12 ILE 23 2HD1 ILE 23 7.352 -9.407 1.570 162 HD13 ILE 23 3HD1 ILE 23 7.143 -8.480 3.071 163 H LEU 24 H LEU 24 2.926 -10.504 1.603 164 HA LEU 24 HA LEU 24 0.819 -10.955 3.647 165 HB2 LEU 24 2HB LEU 24 0.453 -10.019 0.770 166 HB3 LEU 24 3HB LEU 24 -0.750 -10.047 2.041 167 HG LEU 24 HG LEU 24 1.817 -8.356 2.085 168 HD11 LEU 24 1HD1 LEU 24 0.543 -6.534 1.273 169 HD12 LEU 24 2HD1 LEU 24 0.359 -7.909 0.156 170 HD13 LEU 24 3HD1 LEU 24 -0.955 -7.503 1.294 171 HD21 LEU 24 1HD2 LEU 24 0.758 -7.162 3.859 172 HD22 LEU 24 2HD2 LEU 24 -0.766 -8.057 3.642 173 HD23 LEU 24 3HD2 LEU 24 0.683 -8.869 4.279 174 H GLU 25 H GLU 25 0.846 -11.804 0.229 175 HA GLU 25 HA GLU 25 0.787 -13.725 -0.917 176 HB2 GLU 25 2HB GLU 25 2.512 -15.334 -0.524 177 HB3 GLU 25 3HB GLU 25 3.101 -13.684 -0.401 178 HG2 GLU 25 2HG GLU 25 3.257 -13.859 2.035 179 HG3 GLU 25 3HG GLU 25 2.523 -15.466 2.011 180 H GLU 26 H GLU 26 -1.424 -13.564 0.338 181 HA GLU 26 HA GLU 26 -3.324 -14.855 0.563 182 HB2 GLU 26 2HB GLU 26 -2.003 -16.931 -0.140 183 HB3 GLU 26 3HB GLU 26 -1.726 -17.238 1.580 184 HG2 GLU 26 2HG GLU 26 -4.555 -16.731 0.705 185 HG3 GLU 26 3HG GLU 26 -3.804 -18.209 0.120 186 H GLY 27 H GLY 27 -4.359 -15.746 2.894 187 HA2 GLY 27 2HA GLY 27 -4.567 -15.299 5.119 188 HA3 GLY 27 3HA GLY 27 -2.879 -14.763 5.174 189 H GLU 28 H GLU 28 -2.463 -12.537 4.050 190 HA GLU 28 HA GLU 28 -4.313 -10.787 5.479 191 HB2 GLU 28 2HB GLU 28 -1.611 -10.472 4.167 192 HB3 GLU 28 3HB GLU 28 -2.532 -9.070 4.683 193 HG2 GLU 28 2HG GLU 28 -0.961 -9.672 6.418 194 HG3 GLU 28 3HG GLU 28 -2.629 -9.827 6.971 195 H ASP 29 H ASP 29 -5.320 -8.963 4.652 196 HA ASP 29 HA ASP 29 -6.315 -9.228 1.961 197 HB2 ASP 29 2HB ASP 29 -6.877 -7.484 4.345 198 HB3 ASP 29 3HB ASP 29 -7.238 -6.787 2.766 199 H VAL 30 H VAL 30 -6.223 -7.705 0.327 200 HA VAL 30 HA VAL 30 -3.777 -6.004 0.260 201 HB VAL 30 HB VAL 30 -3.596 -6.646 -2.124 202 HG11 VAL 30 1HG1 VAL 30 -2.686 -8.902 -1.778 203 HG12 VAL 30 2HG1 VAL 30 -2.269 -7.835 -0.432 204 HG13 VAL 30 3HG1 VAL 30 -3.557 -9.043 -0.236 205 HG21 VAL 30 1HG2 VAL 30 -4.760 -8.615 -3.010 206 HG22 VAL 30 2HG2 VAL 30 -5.728 -8.746 -1.534 207 HG23 VAL 30 3HG2 VAL 30 -5.918 -7.342 -2.609 208 H ARG 31 H ARG 31 -4.017 -3.991 -0.866 209 HA ARG 31 HA ARG 31 -6.551 -3.500 -2.212 210 HB2 ARG 31 2HB ARG 31 -6.637 -2.932 0.375 211 HB3 ARG 31 3HB ARG 31 -5.733 -1.488 -0.069 212 HG2 ARG 31 2HG ARG 31 -8.206 -2.197 -1.657 213 HG3 ARG 31 3HG ARG 31 -8.450 -1.661 -0.010 214 HD2 ARG 31 2HD ARG 31 -6.659 0.046 -1.717 215 HD3 ARG 31 3HD ARG 31 -8.391 0.011 -2.096 216 HE ARG 31 HE ARG 31 -7.941 0.388 0.719 217 HH11 ARG 31 1HH1 ARG 31 -8.956 3.757 0.619 218 HH12 ARG 31 2HH1 ARG 31 -8.724 2.386 1.631 219 HH21 ARG 31 1HH2 ARG 31 -8.530 3.609 -1.705 220 HH22 ARG 31 2HH2 ARG 31 -7.955 2.115 -2.360 221 H ARG 32 H ARG 32 -6.243 -1.880 -3.845 222 HA ARG 32 HA ARG 32 -3.452 -0.878 -4.003 223 HB2 ARG 32 2HB ARG 32 -3.518 -1.031 -6.422 224 HB3 ARG 32 3HB ARG 32 -3.719 -2.595 -5.636 225 HG2 ARG 32 2HG ARG 32 -5.342 -2.848 -7.146 226 HG3 ARG 32 3HG ARG 32 -6.334 -2.003 -5.966 227 HD2 ARG 32 2HD ARG 32 -5.767 0.164 -7.249 228 HD3 ARG 32 3HD ARG 32 -4.951 -0.853 -8.431 229 HE ARG 32 HE ARG 32 -6.952 -1.554 -9.271 230 HH11 ARG 32 1HH1 ARG 32 -10.263 -1.009 -8.191 231 HH12 ARG 32 2HH1 ARG 32 -9.267 -1.684 -9.424 232 HH21 ARG 32 1HH2 ARG 32 -9.259 0.044 -6.311 233 HH22 ARG 32 2HH2 ARG 32 -7.535 0.117 -6.204 234 H LEU 33 H LEU 33 -3.150 1.157 -4.071 235 HA LEU 33 HA LEU 33 -5.191 3.129 -3.956 236 HB2 LEU 33 2HB LEU 33 -2.143 3.138 -4.357 237 HB3 LEU 33 3HB LEU 33 -3.093 4.578 -4.139 238 HG LEU 33 HG LEU 33 -2.294 4.263 -2.022 239 HD11 LEU 33 1HD1 LEU 33 -4.082 3.700 -0.581 240 HD12 LEU 33 2HD1 LEU 33 -4.884 4.219 -2.058 241 HD13 LEU 33 3HD1 LEU 33 -4.742 2.488 -1.701 242 HD21 LEU 33 1HD2 LEU 33 -1.189 2.075 -2.455 243 HD22 LEU 33 2HD2 LEU 33 -1.904 2.228 -0.846 244 HD23 LEU 33 3HD2 LEU 33 -2.718 1.251 -2.070 245 HA PRO 34 HA PRO 34 -5.605 3.925 -8.265 246 HB2 PRO 34 2HB PRO 34 -5.984 6.647 -8.345 247 HB3 PRO 34 3HB PRO 34 -7.199 5.492 -7.714 248 HG2 PRO 34 2HG PRO 34 -5.174 7.107 -6.137 249 HG3 PRO 34 3HG PRO 34 -6.933 6.928 -5.828 250 HD2 PRO 34 2HD PRO 34 -5.106 5.429 -4.505 251 HD3 PRO 34 3HD PRO 34 -6.658 4.717 -5.032 252 H CYS 35 H CYS 35 -2.806 4.965 -6.532 253 HA CYS 35 HA CYS 35 -1.511 6.238 -8.936 254 HB2 CYS 35 2HB CYS 35 -0.059 7.187 -7.480 255 HB3 CYS 35 3HB CYS 35 -1.536 7.229 -6.515 256 H MET 36 H MET 36 -2.326 3.367 -8.712 257 HA MET 36 HA MET 36 -1.589 1.331 -9.086 258 HB2 MET 36 2HB MET 36 0.591 2.890 -10.526 259 HB3 MET 36 3HB MET 36 0.286 1.162 -10.769 260 HG2 MET 36 2HG MET 36 -1.790 1.527 -11.798 261 HG3 MET 36 3HG MET 36 -2.015 3.091 -11.035 262 HE1 MET 36 1HE MET 36 -1.206 1.274 -14.178 263 HE2 MET 36 2HE MET 36 -0.084 2.310 -15.082 264 HE3 MET 36 3HE MET 36 0.507 1.369 -13.692 265 H HIS 37 H HIS 37 -1.268 1.303 -6.682 266 HA HIS 37 HA HIS 37 1.347 0.087 -6.156 267 HB2 HIS 37 1HB HIS 37 0.413 2.713 -4.997 268 HB3 HIS 37 2HB HIS 37 1.126 1.552 -3.880 269 HD2 HIS 37 2HD HIS 37 3.575 0.531 -4.539 270 HE1 HIS 37 1HE HIS 37 4.785 3.834 -6.935 271 HE2 HIS 37 2HE HIS 37 5.587 1.726 -5.729 272 H LEU 38 H LEU 38 0.961 -1.767 -4.866 273 HA LEU 38 HA LEU 38 -1.720 -1.976 -3.604 274 HB2 LEU 38 2HB LEU 38 -2.080 -3.982 -4.507 275 HB3 LEU 38 3HB LEU 38 -0.904 -3.495 -5.708 276 HG LEU 38 HG LEU 38 0.863 -4.670 -4.176 277 HD11 LEU 38 1HD1 LEU 38 -0.378 -5.143 -2.122 278 HD12 LEU 38 2HD1 LEU 38 -1.749 -5.780 -3.054 279 HD13 LEU 38 3HD1 LEU 38 -0.217 -6.664 -2.974 280 HD21 LEU 38 1HD2 LEU 38 0.356 -6.824 -5.202 281 HD22 LEU 38 2HD2 LEU 38 -1.297 -6.297 -5.566 282 HD23 LEU 38 3HD2 LEU 38 0.103 -5.517 -6.356 283 H PHE 39 H PHE 39 -1.722 -2.579 -1.492 284 HA PHE 39 HA PHE 39 0.617 -3.760 -0.268 285 HB2 PHE 39 2HB PHE 39 -0.322 -1.002 0.589 286 HB3 PHE 39 3HB PHE 39 0.782 -1.992 1.533 287 HD1 PHE 39 1HD PHE 39 2.805 -2.969 -0.153 288 HD2 PHE 39 2HD PHE 39 0.714 0.782 -0.517 289 HE1 PHE 39 1HE PHE 39 4.659 -2.078 -1.491 290 HE2 PHE 39 2HE PHE 39 2.609 1.700 -1.829 291 HZ PHE 39 HZ PHE 39 4.579 0.267 -2.340 292 H HIS 40 H HIS 40 -0.016 -3.753 2.271 293 HA HIS 40 HA HIS 40 -2.212 -5.538 2.609 294 HB2 HIS 40 1HB HIS 40 0.026 -5.082 3.829 295 HB3 HIS 40 2HB HIS 40 -0.779 -3.787 4.621 296 HD2 HIS 40 2HD HIS 40 -3.172 -6.591 4.847 297 HE1 HIS 40 1HE HIS 40 -0.461 -7.057 8.117 298 HE2 HIS 40 2HE HIS 40 -2.689 -7.812 7.127 299 H GLN 41 H GLN 41 -4.432 -4.986 3.103 300 HA GLN 41 HA GLN 41 -5.286 -2.392 2.656 301 HB2 GLN 41 2HB GLN 41 -6.645 -4.562 2.771 302 HB3 GLN 41 3HB GLN 41 -6.884 -4.231 4.488 303 HG2 GLN 41 2HG GLN 41 -7.498 -2.091 2.411 304 HG3 GLN 41 3HG GLN 41 -8.589 -3.448 2.599 305 HE21 GLN 41 1HE2 GLN 41 -7.176 -0.658 4.487 306 HE22 GLN 41 2HE2 GLN 41 -8.622 -0.458 5.435 307 H VAL 42 H VAL 42 -4.721 -3.869 5.883 308 HA VAL 42 HA VAL 42 -5.513 -1.577 7.357 309 HB VAL 42 HB VAL 42 -3.493 -3.707 8.179 310 HG11 VAL 42 1HG1 VAL 42 -3.502 -1.736 9.689 311 HG12 VAL 42 2HG1 VAL 42 -5.270 -1.832 9.816 312 HG13 VAL 42 3HG1 VAL 42 -4.250 -3.127 10.482 313 HG21 VAL 42 1HG2 VAL 42 -5.590 -4.800 7.515 314 HG22 VAL 42 2HG2 VAL 42 -5.482 -4.776 9.276 315 HG23 VAL 42 3HG2 VAL 42 -6.532 -3.612 8.445 316 H CYS 43 H CYS 43 -2.223 -2.455 5.971 317 HA CYS 43 HA CYS 43 -0.753 -0.417 7.416 318 HB2 CYS 43 2HB CYS 43 -0.390 -1.863 4.768 319 HB3 CYS 43 3HB CYS 43 0.629 -0.662 5.399 320 H VAL 44 H VAL 44 -2.258 -0.551 4.164 321 HA VAL 44 HA VAL 44 -1.559 2.019 3.330 322 HB VAL 44 HB VAL 44 -4.079 0.361 2.772 323 HG11 VAL 44 1HG1 VAL 44 -4.368 1.786 0.756 324 HG12 VAL 44 2HG1 VAL 44 -4.649 2.683 2.251 325 HG13 VAL 44 3HG1 VAL 44 -3.112 2.890 1.383 326 HG21 VAL 44 1HG2 VAL 44 -1.554 0.879 1.158 327 HG22 VAL 44 2HG2 VAL 44 -1.949 -0.621 2.024 328 HG23 VAL 44 3HG2 VAL 44 -2.933 -0.126 0.644 329 H ASP 45 H ASP 45 -4.441 0.860 5.114 330 HA ASP 45 HA ASP 45 -5.559 3.521 5.517 331 HB2 ASP 45 2HB ASP 45 -6.679 1.291 4.912 332 HB3 ASP 45 3HB ASP 45 -6.428 0.796 6.589 333 H GLN 46 H GLN 46 -2.979 3.122 6.664 334 HA GLN 46 HA GLN 46 -3.516 3.827 9.472 335 HB2 GLN 46 2HB GLN 46 -2.847 1.453 9.514 336 HB3 GLN 46 3HB GLN 46 -1.423 1.812 8.540 337 HG2 GLN 46 2HG GLN 46 -0.647 3.354 10.414 338 HG3 GLN 46 3HG GLN 46 -1.995 2.730 11.379 339 HE21 GLN 46 1HE2 GLN 46 -1.435 0.943 12.685 340 HE22 GLN 46 2HE2 GLN 46 -0.089 -0.121 12.295 341 H ARG 47 H ARG 47 -0.771 3.345 7.151 342 HA ARG 47 HA ARG 47 0.503 5.768 8.016 343 HB2 ARG 47 2HB ARG 47 1.702 3.868 7.090 344 HB3 ARG 47 3HB ARG 47 0.974 4.166 5.495 345 HG2 ARG 47 2HG ARG 47 2.129 6.314 5.319 346 HG3 ARG 47 3HG ARG 47 2.680 6.197 7.007 347 HD2 ARG 47 2HD ARG 47 3.969 4.164 6.443 348 HD3 ARG 47 3HD ARG 47 3.459 4.314 4.741 349 HE ARG 47 HE ARG 47 4.662 6.738 5.522 350 HH11 ARG 47 1HH1 ARG 47 8.016 5.883 4.795 351 HH12 ARG 47 2HH1 ARG 47 6.928 7.177 5.139 352 HH21 ARG 47 1HH2 ARG 47 7.220 3.637 4.742 353 HH22 ARG 47 2HH2 ARG 47 5.552 3.352 5.040 354 H LEU 48 H LEU 48 -1.762 5.084 5.316 355 HA LEU 48 HA LEU 48 -1.421 7.881 4.372 356 HB2 LEU 48 2HB LEU 48 -2.986 5.556 3.167 357 HB3 LEU 48 3HB LEU 48 -2.877 7.159 2.511 358 HG LEU 48 HG LEU 48 -1.435 5.870 1.235 359 HD11 LEU 48 1HD1 LEU 48 0.732 6.910 1.499 360 HD12 LEU 48 2HD1 LEU 48 -0.537 8.086 1.884 361 HD13 LEU 48 3HD1 LEU 48 0.390 7.314 3.193 362 HD21 LEU 48 1HD2 LEU 48 -0.309 4.061 1.853 363 HD22 LEU 48 2HD2 LEU 48 0.596 4.940 3.097 364 HD23 LEU 48 3HD2 LEU 48 -0.984 4.239 3.472 365 H ILE 49 H ILE 49 -2.571 7.500 6.999 366 HA ILE 49 HA ILE 49 -5.421 8.172 6.587 367 HB ILE 49 HB ILE 49 -3.641 7.985 9.051 368 HG12 ILE 49 2HG1 ILE 49 -6.123 6.456 8.116 369 HG13 ILE 49 3HG1 ILE 49 -4.466 5.876 7.989 370 HG21 ILE 49 1HG2 ILE 49 -5.622 8.537 10.410 371 HG22 ILE 49 2HG2 ILE 49 -5.248 9.885 9.362 372 HG23 ILE 49 3HG2 ILE 49 -6.586 8.794 8.936 373 HD11 ILE 49 1HD1 ILE 49 -6.013 6.392 10.562 374 HD12 ILE 49 2HD1 ILE 49 -5.483 4.845 9.917 375 HD13 ILE 49 3HD1 ILE 49 -4.273 6.008 10.502 376 H THR 50 H THR 50 -2.688 9.869 8.284 377 HA THR 50 HA THR 50 -3.813 12.427 7.543 378 HB THR 50 HB THR 50 -1.109 11.836 8.816 379 HG1 THR 50 1HG THR 50 -2.325 11.855 10.771 380 HG21 THR 50 1HG2 THR 50 -3.103 14.138 9.121 381 HG22 THR 50 2HG2 THR 50 -1.625 13.936 10.088 382 HG23 THR 50 3HG2 THR 50 -1.506 14.234 8.353 383 H ASN 51 H ASN 51 -3.332 11.096 5.087 384 HA ASN 51 HA ASN 51 -1.606 12.988 3.879 385 HB2 ASN 51 2HB ASN 51 -0.124 10.872 4.904 386 HB3 ASN 51 3HB ASN 51 -0.489 10.279 3.282 387 HD21 ASN 51 1HD2 ASN 51 1.960 11.693 4.792 388 HD22 ASN 51 2HD2 ASN 51 2.467 12.866 3.592 389 H LYS 52 H LYS 52 -1.529 12.604 1.449 390 HA LYS 52 HA LYS 52 -2.903 10.358 0.402 391 HB2 LYS 52 2HB LYS 52 -4.651 11.583 -0.879 392 HB3 LYS 52 3HB LYS 52 -4.992 11.397 0.830 393 HG2 LYS 52 2HG LYS 52 -4.702 13.686 1.297 394 HG3 LYS 52 3HG LYS 52 -3.747 13.982 -0.156 395 HD2 LYS 52 2HD LYS 52 -5.744 13.466 -1.561 396 HD3 LYS 52 3HD LYS 52 -6.727 13.330 -0.094 397 HE2 LYS 52 2HE LYS 52 -6.619 15.624 0.336 398 HE3 LYS 52 3HE LYS 52 -5.059 15.804 -0.477 399 HZ1 LYS 52 1HZ LYS 52 -6.234 15.428 -2.608 400 HZ2 LYS 52 2HZ LYS 52 -7.657 15.423 -1.833 401 HZ3 LYS 52 3HZ LYS 52 -6.741 16.791 -1.827 402 H LYS 53 H LYS 53 -0.582 10.445 -0.316 403 HA LYS 53 HA LYS 53 -0.773 11.242 -2.982 404 HB2 LYS 53 2HB LYS 53 1.223 12.524 -3.352 405 HB3 LYS 53 3HB LYS 53 0.095 13.418 -2.356 406 HG2 LYS 53 2HG LYS 53 2.212 11.821 -0.929 407 HG3 LYS 53 3HG LYS 53 2.764 13.213 -1.845 408 HD2 LYS 53 2HD LYS 53 0.444 13.579 0.041 409 HD3 LYS 53 3HD LYS 53 2.084 13.401 0.689 410 HE2 LYS 53 2HE LYS 53 1.626 15.731 0.488 411 HE3 LYS 53 3HE LYS 53 2.875 15.281 -0.680 412 HZ1 LYS 53 1HZ LYS 53 0.013 15.663 -1.307 413 HZ2 LYS 53 2HZ LYS 53 1.211 16.748 -1.622 414 HZ3 LYS 53 3HZ LYS 53 1.195 15.298 -2.396 415 H CYS 54 H CYS 54 0.761 10.117 -4.309 416 HA CYS 54 HA CYS 54 2.066 7.720 -3.033 417 HB2 CYS 54 2HB CYS 54 1.127 8.489 -5.687 418 HB3 CYS 54 3HB CYS 54 2.861 8.146 -5.690 419 HA PRO 55 HA PRO 55 5.527 10.672 -2.720 420 HB2 PRO 55 2HB PRO 55 7.034 9.429 -0.846 421 HB3 PRO 55 3HB PRO 55 5.431 10.101 -0.433 422 HG2 PRO 55 2HG PRO 55 6.076 7.221 -1.171 423 HG3 PRO 55 3HG PRO 55 5.200 7.817 0.279 424 HD2 PRO 55 2HD PRO 55 3.906 6.988 -1.994 425 HD3 PRO 55 3HD PRO 55 3.281 8.314 -0.968 426 H ILE 56 H ILE 56 5.434 9.305 -5.062 427 HA ILE 56 HA ILE 56 8.091 8.855 -5.759 428 HB ILE 56 HB ILE 56 7.407 6.619 -4.483 429 HG12 ILE 56 2HG1 ILE 56 9.584 6.941 -5.284 430 HG13 ILE 56 3HG1 ILE 56 9.028 5.357 -5.807 431 HG21 ILE 56 1HG2 ILE 56 5.449 6.043 -5.778 432 HG22 ILE 56 2HG2 ILE 56 6.434 5.911 -7.260 433 HG23 ILE 56 3HG2 ILE 56 6.714 4.812 -5.900 434 HD11 ILE 56 1HD1 ILE 56 10.260 6.331 -7.613 435 HD12 ILE 56 2HD1 ILE 56 8.555 6.377 -8.098 436 HD13 ILE 56 3HD1 ILE 56 9.370 7.851 -7.511 437 H CYS 57 H CYS 57 4.637 8.103 -6.482 438 HA CYS 57 HA CYS 57 4.835 8.625 -9.375 439 HB2 CYS 57 2HB CYS 57 2.302 8.486 -7.746 440 HB3 CYS 57 3HB CYS 57 2.631 7.922 -9.381 441 H ARG 58 H ARG 58 2.320 10.139 -8.986 442 HA ARG 58 HA ARG 58 2.918 12.550 -7.514 443 HB2 ARG 58 2HB ARG 58 3.008 14.128 -9.464 444 HB3 ARG 58 3HB ARG 58 4.432 13.119 -9.254 445 HG2 ARG 58 2HG ARG 58 3.589 11.571 -11.028 446 HG3 ARG 58 3HG ARG 58 2.225 12.662 -11.314 447 HD2 ARG 58 2HD ARG 58 3.706 14.463 -11.962 448 HD3 ARG 58 3HD ARG 58 5.138 13.546 -11.485 449 HE ARG 58 HE ARG 58 3.618 13.328 -13.937 450 HH11 ARG 58 1HH1 ARG 58 5.344 10.472 -15.090 451 HH12 ARG 58 2HH1 ARG 58 4.229 11.721 -15.506 452 HH21 ARG 58 1HH2 ARG 58 6.245 10.376 -12.892 453 HH22 ARG 58 2HH2 ARG 58 5.767 11.572 -11.745 454 H VAL 59 H VAL 59 0.843 11.099 -7.065 455 HA VAL 59 HA VAL 59 -1.502 12.419 -8.275 456 HB VAL 59 HB VAL 59 -0.684 9.508 -8.347 457 HG11 VAL 59 1HG1 VAL 59 -2.707 9.324 -7.008 458 HG12 VAL 59 2HG1 VAL 59 -3.594 10.372 -8.138 459 HG13 VAL 59 3HG1 VAL 59 -3.020 8.770 -8.653 460 HG21 VAL 59 1HG2 VAL 59 -2.345 11.254 -10.209 461 HG22 VAL 59 2HG2 VAL 59 -0.605 10.945 -10.372 462 HG23 VAL 59 3HG2 VAL 59 -1.759 9.612 -10.551 463 H ASP 60 H ASP 60 -3.273 12.561 -6.682 464 HA ASP 60 HA ASP 60 -2.328 12.004 -3.979 465 HB2 ASP 60 2HB ASP 60 -4.123 13.261 -3.143 466 HB3 ASP 60 3HB ASP 60 -3.203 14.205 -4.308 467 H ILE 61 H ILE 61 -3.172 10.436 -2.708 468 HA ILE 61 HA ILE 61 -4.056 8.144 -4.142 469 HB ILE 61 HB ILE 61 -3.708 8.681 -1.160 470 HG12 ILE 61 2HG1 ILE 61 -1.648 9.184 -2.122 471 HG13 ILE 61 3HG1 ILE 61 -1.464 7.551 -1.511 472 HG21 ILE 61 1HG2 ILE 61 -3.210 6.279 -0.977 473 HG22 ILE 61 2HG2 ILE 61 -4.888 6.596 -1.445 474 HG23 ILE 61 3HG2 ILE 61 -3.720 6.059 -2.671 475 HD11 ILE 61 1HD1 ILE 61 -2.056 6.781 -3.905 476 HD12 ILE 61 2HD1 ILE 61 -1.825 8.482 -4.374 477 HD13 ILE 61 3HD1 ILE 61 -0.488 7.557 -3.660 478 H GLU 62 H GLU 62 -5.701 10.615 -2.505 479 HA GLU 62 HA GLU 62 -7.698 10.922 -1.498 480 HB2 GLU 62 2HB GLU 62 -8.069 11.040 -3.943 481 HB3 GLU 62 3HB GLU 62 -8.665 9.372 -3.902 482 HG2 GLU 62 2HG GLU 62 -10.311 10.212 -2.054 483 HG3 GLU 62 3HG GLU 62 -9.805 11.837 -2.504 484 H ALA 63 H ALA 63 -7.538 9.814 0.476 485 HA ALA 63 HA ALA 63 -9.115 7.288 0.579 486 HB1 ALA 63 1HB ALA 63 -7.598 6.507 2.341 487 HB2 ALA 63 2HB ALA 63 -6.692 6.812 0.843 488 HB3 ALA 63 3HB ALA 63 -6.617 7.977 2.187 489 H GLN 64 H GLN 64 -10.280 9.710 0.685 490 HA GLN 64 HA GLN 64 -11.604 11.100 1.840 491 HB2 GLN 64 2HB GLN 64 -12.263 8.985 3.024 492 HB3 GLN 64 3HB GLN 64 -11.180 9.428 4.348 493 HG2 GLN 64 2HG GLN 64 -12.464 11.379 4.877 494 HG3 GLN 64 3HG GLN 64 -13.396 11.264 3.369 495 HE21 GLN 64 1HE2 GLN 64 -14.511 11.374 6.124 496 HE22 GLN 64 2HE2 GLN 64 -15.373 9.848 6.279 497 H LEU 65 H LEU 65 -11.508 12.817 3.545 498 HA LEU 65 HA LEU 65 -9.768 13.773 5.200 499 HB2 LEU 65 2HB LEU 65 -8.250 13.733 2.622 500 HB3 LEU 65 3HB LEU 65 -8.189 15.221 3.534 501 HG LEU 65 HG LEU 65 -7.716 12.635 5.025 502 HD11 LEU 65 1HD1 LEU 65 -6.192 12.542 3.092 503 HD12 LEU 65 2HD1 LEU 65 -5.624 14.199 3.447 504 HD13 LEU 65 3HD1 LEU 65 -5.307 12.865 4.585 505 HD21 LEU 65 1HD2 LEU 65 -6.372 14.122 6.438 506 HD22 LEU 65 2HD2 LEU 65 -6.651 15.481 5.331 507 HD23 LEU 65 3HD2 LEU 65 -8.002 14.791 6.254 508 HA PRO 66 HA PRO 66 -11.327 17.661 3.058 509 HB2 PRO 66 2HB PRO 66 -12.350 17.658 0.519 510 HB3 PRO 66 3HB PRO 66 -10.594 17.800 0.852 511 HG2 PRO 66 2HG PRO 66 -12.151 15.289 0.151 512 HG3 PRO 66 3HG PRO 66 -10.631 15.888 -0.590 513 HD2 PRO 66 2HD PRO 66 -10.621 14.005 1.369 514 HD3 PRO 66 3HD PRO 66 -9.361 15.277 1.307 515 H SER 67 H SER 67 -13.353 18.323 3.728 516 HA SER 67 HA SER 67 -15.775 16.887 2.994 517 HB2 SER 67 2HB SER 67 -14.806 15.401 4.750 518 HB3 SER 67 3HB SER 67 -14.750 16.776 5.869 519 HG SER 67 HG SER 67 -17.013 16.919 5.660 520 H GLU 68 H GLU 68 -15.066 19.525 2.474 521 HA GLU 68 HA GLU 68 -16.992 21.005 4.124 522 HB2 GLU 68 2HB GLU 68 -14.802 21.212 5.375 523 HB3 GLU 68 3HB GLU 68 -14.082 21.896 3.921 524 HG2 GLU 68 2HG GLU 68 -16.282 23.527 4.171 525 HG3 GLU 68 3HG GLU 68 -16.040 23.092 5.860 526 H SER 69 H SER 69 -14.257 21.456 1.783 527 HA SER 69 HA SER 69 -16.089 22.356 -0.283 528 HB2 SER 69 2HB SER 69 -14.308 24.135 -0.807 529 HB3 SER 69 3HB SER 69 -15.434 24.484 0.517 530 HG SER 69 HG SER 69 -13.842 24.150 1.999 Start of MODEL 18 1 H1 MET 1 H1 MET 1 36.701 -23.468 -3.595 2 H2 MET 1 H2 MET 1 38.256 -23.376 -3.051 3 H3 MET 1 H3 MET 1 37.852 -22.748 -4.521 4 HA MET 1 HA MET 1 39.027 -24.781 -4.806 5 HB2 MET 1 2HB MET 1 36.799 -25.887 -3.073 6 HB3 MET 1 3HB MET 1 37.737 -26.901 -4.192 7 HG2 MET 1 2HG MET 1 39.833 -26.189 -3.142 8 HG3 MET 1 3HG MET 1 38.944 -25.169 -2.004 9 HE1 MET 1 1HE MET 1 40.399 -26.360 -0.112 10 HE2 MET 1 2HE MET 1 40.413 -28.118 0.159 11 HE3 MET 1 3HE MET 1 41.150 -27.441 -1.310 12 H LYS 2 H LYS 2 35.525 -25.772 -4.975 13 HA LYS 2 HA LYS 2 35.580 -24.811 -7.776 14 HB2 LYS 2 2HB LYS 2 35.989 -27.469 -7.190 15 HB3 LYS 2 3HB LYS 2 34.227 -27.423 -7.225 16 HG2 LYS 2 2HG LYS 2 34.686 -26.016 -9.480 17 HG3 LYS 2 3HG LYS 2 36.227 -26.892 -9.411 18 HD2 LYS 2 2HD LYS 2 34.893 -29.046 -9.237 19 HD3 LYS 2 3HD LYS 2 33.417 -28.070 -9.450 20 HE2 LYS 2 2HE LYS 2 34.522 -27.141 -11.580 21 HE3 LYS 2 3HE LYS 2 35.730 -28.422 -11.402 22 HZ1 LYS 2 1HZ LYS 2 32.819 -28.807 -11.724 23 HZ2 LYS 2 2HZ LYS 2 33.963 -29.089 -12.869 24 HZ3 LYS 2 3HZ LYS 2 33.908 -30.027 -11.516 25 H GLN 3 H GLN 3 33.987 -23.222 -7.695 26 HA GLN 3 HA GLN 3 31.315 -23.911 -7.018 27 HB2 GLN 3 2HB GLN 3 32.971 -22.937 -4.835 28 HB3 GLN 3 3HB GLN 3 31.843 -21.657 -5.275 29 HG2 GLN 3 2HG GLN 3 29.942 -23.207 -5.066 30 HG3 GLN 3 3HG GLN 3 31.046 -24.538 -4.676 31 HE21 GLN 3 1HE2 GLN 3 28.839 -22.782 -3.118 32 HE22 GLN 3 2HE2 GLN 3 29.690 -22.526 -1.603 33 H ASP 4 H ASP 4 29.931 -21.951 -7.359 34 HA ASP 4 HA ASP 4 31.209 -19.723 -8.840 35 HB2 ASP 4 2HB ASP 4 29.044 -21.593 -9.871 36 HB3 ASP 4 3HB ASP 4 29.216 -19.934 -10.456 37 H GLY 5 H GLY 5 27.848 -20.763 -8.418 38 HA2 GLY 5 2HA GLY 5 27.136 -19.617 -6.005 39 HA3 GLY 5 3HA GLY 5 26.996 -18.314 -7.213 40 H GLU 6 H GLU 6 24.558 -18.778 -6.350 41 HA GLU 6 HA GLU 6 23.333 -19.976 -8.653 42 HB2 GLU 6 2HB GLU 6 23.562 -21.838 -6.750 43 HB3 GLU 6 3HB GLU 6 22.242 -20.933 -5.999 44 HG2 GLU 6 2HG GLU 6 21.099 -21.123 -8.368 45 HG3 GLU 6 3HG GLU 6 22.321 -22.348 -8.693 46 H GLU 7 H GLU 7 21.015 -19.159 -8.744 47 HA GLU 7 HA GLU 7 20.260 -17.152 -6.771 48 HB2 GLU 7 2HB GLU 7 21.142 -16.536 -9.588 49 HB3 GLU 7 3HB GLU 7 19.690 -15.720 -8.990 50 HG2 GLU 7 2HG GLU 7 20.885 -14.831 -7.067 51 HG3 GLU 7 3HG GLU 7 22.356 -15.702 -7.522 52 H GLY 8 H GLY 8 17.976 -16.511 -7.199 53 HA2 GLY 8 2HA GLY 8 16.452 -18.736 -8.494 54 HA3 GLY 8 3HA GLY 8 15.957 -17.914 -7.002 55 H THR 9 H THR 9 13.998 -16.942 -7.739 56 HA THR 9 HA THR 9 14.286 -14.633 -9.413 57 HB THR 9 HB THR 9 14.197 -16.407 -11.133 58 HG1 THR 9 1HG THR 9 12.490 -15.505 -12.279 59 HG21 THR 9 1HG2 THR 9 11.433 -17.048 -10.027 60 HG22 THR 9 2HG2 THR 9 12.186 -17.746 -11.475 61 HG23 THR 9 3HG2 THR 9 12.865 -18.086 -9.875 62 H GLU 10 H GLU 10 11.794 -13.957 -9.859 63 HA GLU 10 HA GLU 10 9.794 -13.310 -9.081 64 HB2 GLU 10 2HB GLU 10 9.761 -15.891 -8.623 65 HB3 GLU 10 3HB GLU 10 9.790 -15.436 -6.921 66 HG2 GLU 10 2HG GLU 10 7.639 -14.528 -7.011 67 HG3 GLU 10 3HG GLU 10 7.771 -14.103 -8.723 68 H GLU 11 H GLU 11 8.644 -12.890 -6.667 69 HA GLU 11 HA GLU 11 8.571 -11.675 -4.853 70 HB2 GLU 11 2HB GLU 11 10.732 -13.504 -4.530 71 HB3 GLU 11 3HB GLU 11 11.230 -12.031 -3.721 72 HG2 GLU 11 2HG GLU 11 8.539 -13.396 -3.310 73 HG3 GLU 11 3HG GLU 11 9.958 -13.625 -2.278 74 H ASP 12 H ASP 12 8.536 -9.819 -6.583 75 HA ASP 12 HA ASP 12 10.401 -7.750 -5.601 76 HB2 ASP 12 2HB ASP 12 10.432 -8.890 -8.269 77 HB3 ASP 12 3HB ASP 12 9.845 -7.232 -8.366 78 H THR 13 H THR 13 9.207 -6.130 -4.848 79 HA THR 13 HA THR 13 7.206 -5.318 -3.930 80 HB THR 13 HB THR 13 7.338 -4.308 -6.791 81 HG1 THR 13 1HG THR 13 8.821 -3.333 -4.602 82 HG21 THR 13 1HG2 THR 13 6.931 -2.079 -5.669 83 HG22 THR 13 2HG2 THR 13 5.539 -3.154 -5.586 84 HG23 THR 13 3HG2 THR 13 6.571 -2.946 -4.156 85 H GLU 14 H GLU 14 6.413 -7.964 -4.645 86 HA GLU 14 HA GLU 14 4.141 -7.676 -6.421 87 HB2 GLU 14 2HB GLU 14 6.026 -9.590 -6.217 88 HB3 GLU 14 3HB GLU 14 4.872 -10.273 -5.078 89 HG2 GLU 14 2HG GLU 14 4.337 -11.220 -7.187 90 HG3 GLU 14 3HG GLU 14 3.093 -9.999 -6.911 91 H GLU 15 H GLU 15 4.569 -9.227 -3.139 92 HA GLU 15 HA GLU 15 1.960 -8.024 -2.381 93 HB2 GLU 15 2HB GLU 15 1.727 -10.376 -3.355 94 HB3 GLU 15 3HB GLU 15 2.600 -10.958 -1.938 95 HG2 GLU 15 2HG GLU 15 0.642 -10.963 -0.809 96 HG3 GLU 15 3HG GLU 15 0.596 -9.204 -0.926 97 H LYS 16 H LYS 16 4.006 -6.770 -1.524 98 HA LYS 16 HA LYS 16 4.839 -7.865 1.150 99 HB2 LYS 16 2HB LYS 16 6.432 -6.083 -0.755 100 HB3 LYS 16 3HB LYS 16 6.949 -6.728 0.815 101 HG2 LYS 16 2HG LYS 16 6.469 -9.051 -0.173 102 HG3 LYS 16 3HG LYS 16 6.353 -8.294 -1.737 103 HD2 LYS 16 2HD LYS 16 8.812 -7.766 -0.027 104 HD3 LYS 16 3HD LYS 16 8.604 -9.314 -0.809 105 HE2 LYS 16 2HE LYS 16 8.047 -7.826 -2.939 106 HE3 LYS 16 3HE LYS 16 8.978 -6.598 -2.065 107 HZ1 LYS 16 1HZ LYS 16 10.426 -8.034 -3.506 108 HZ2 LYS 16 2HZ LYS 16 10.759 -8.392 -1.924 109 HZ3 LYS 16 3HZ LYS 16 9.810 -9.349 -2.828 110 H CYS 17 H CYS 17 4.030 -6.682 2.770 111 HA CYS 17 HA CYS 17 2.758 -4.032 2.400 112 HB2 CYS 17 2HB CYS 17 1.984 -5.993 3.803 113 HB3 CYS 17 3HB CYS 17 3.276 -5.583 4.939 114 H THR 18 H THR 18 4.294 -2.375 2.075 115 HA THR 18 HA THR 18 6.887 -2.563 3.437 116 HB THR 18 HB THR 18 7.242 -0.449 2.101 117 HG1 THR 18 1HG THR 18 5.378 -0.235 0.517 118 HG21 THR 18 1HG2 THR 18 7.253 -1.557 -0.108 119 HG22 THR 18 2HG2 THR 18 7.750 -2.741 1.104 120 HG23 THR 18 3HG2 THR 18 6.117 -2.793 0.448 121 H ILE 19 H ILE 19 3.819 -1.719 4.392 122 HA ILE 19 HA ILE 19 4.438 0.720 5.878 123 HB ILE 19 HB ILE 19 1.991 -0.978 5.751 124 HG12 ILE 19 2HG1 ILE 19 3.061 1.075 3.863 125 HG13 ILE 19 3HG1 ILE 19 2.095 -0.393 3.564 126 HG21 ILE 19 1HG2 ILE 19 0.912 1.192 6.570 127 HG22 ILE 19 2HG2 ILE 19 1.992 0.429 7.717 128 HG23 ILE 19 3HG2 ILE 19 2.566 1.808 6.772 129 HD11 ILE 19 1HD1 ILE 19 0.900 1.533 2.944 130 HD12 ILE 19 2HD1 ILE 19 0.120 0.700 4.301 131 HD13 ILE 19 3HD1 ILE 19 1.059 2.206 4.587 132 H CYS 20 H CYS 20 2.890 -2.482 6.683 133 HA CYS 20 HA CYS 20 3.515 -2.436 9.512 134 HB2 CYS 20 2HB CYS 20 3.001 -4.884 7.840 135 HB3 CYS 20 3HB CYS 20 2.581 -4.573 9.522 136 H LEU 21 H LEU 21 5.378 -3.163 6.661 137 HA LEU 21 HA LEU 21 7.481 -3.812 6.319 138 HB2 LEU 21 2HB LEU 21 7.862 -3.796 9.337 139 HB3 LEU 21 3HB LEU 21 9.133 -3.858 8.131 140 HG LEU 21 HG LEU 21 7.162 -1.541 8.292 141 HD11 LEU 21 1HD1 LEU 21 8.835 -0.300 9.534 142 HD12 LEU 21 2HD1 LEU 21 8.359 -1.748 10.434 143 HD13 LEU 21 3HD1 LEU 21 9.913 -1.718 9.566 144 HD21 LEU 21 1HD2 LEU 21 8.380 -1.755 6.152 145 HD22 LEU 21 2HD2 LEU 21 8.919 -0.338 7.054 146 HD23 LEU 21 3HD2 LEU 21 9.926 -1.804 7.034 147 H SER 22 H SER 22 5.682 -5.679 5.889 148 HA SER 22 HA SER 22 7.100 -8.122 6.591 149 HB2 SER 22 2HB SER 22 4.844 -9.146 7.385 150 HB3 SER 22 3HB SER 22 5.799 -8.177 8.510 151 HG SER 22 HG SER 22 3.762 -7.435 8.679 152 H ILE 23 H ILE 23 6.414 -9.917 5.348 153 HA ILE 23 HA ILE 23 5.303 -9.189 2.717 154 HB ILE 23 HB ILE 23 6.245 -11.908 3.711 155 HG12 ILE 23 2HG1 ILE 23 8.186 -10.686 4.168 156 HG13 ILE 23 3HG1 ILE 23 8.450 -11.377 2.579 157 HG21 ILE 23 1HG2 ILE 23 6.808 -12.085 1.187 158 HG22 ILE 23 2HG2 ILE 23 5.115 -12.156 1.679 159 HG23 ILE 23 3HG2 ILE 23 5.763 -10.663 1.001 160 HD11 ILE 23 1HD1 ILE 23 7.880 -8.479 3.289 161 HD12 ILE 23 2HD1 ILE 23 9.246 -9.166 2.404 162 HD13 ILE 23 3HD1 ILE 23 7.645 -9.100 1.649 163 H LEU 24 H LEU 24 3.410 -10.413 1.897 164 HA LEU 24 HA LEU 24 1.632 -11.265 4.121 165 HB2 LEU 24 2HB LEU 24 0.893 -10.170 1.375 166 HB3 LEU 24 3HB LEU 24 -0.188 -10.469 2.731 167 HG LEU 24 HG LEU 24 2.124 -8.450 2.723 168 HD11 LEU 24 1HD1 LEU 24 -0.819 -8.110 2.113 169 HD12 LEU 24 2HD1 LEU 24 0.384 -6.791 2.266 170 HD13 LEU 24 3HD1 LEU 24 0.550 -8.002 0.978 171 HD21 LEU 24 1HD2 LEU 24 1.488 -9.105 4.960 172 HD22 LEU 24 2HD2 LEU 24 0.798 -7.501 4.641 173 HD23 LEU 24 3HD2 LEU 24 -0.237 -8.935 4.571 174 H GLU 25 H GLU 25 1.470 -11.842 0.645 175 HA GLU 25 HA GLU 25 0.951 -13.615 -0.572 176 HB2 GLU 25 2HB GLU 25 2.684 -15.300 -0.679 177 HB3 GLU 25 3HB GLU 25 3.379 -13.693 -0.466 178 HG2 GLU 25 2HG GLU 25 3.846 -14.120 1.882 179 HG3 GLU 25 3HG GLU 25 2.943 -15.639 1.842 180 H GLU 26 H GLU 26 -0.476 -13.576 1.980 181 HA GLU 26 HA GLU 26 -1.176 -16.455 2.179 182 HB2 GLU 26 2HB GLU 26 -0.663 -14.303 4.155 183 HB3 GLU 26 3HB GLU 26 -2.101 -15.231 4.512 184 HG2 GLU 26 2HG GLU 26 0.591 -16.527 3.929 185 HG3 GLU 26 3HG GLU 26 0.049 -16.085 5.550 186 H GLY 27 H GLY 27 -2.227 -14.448 0.343 187 HA2 GLY 27 2HA GLY 27 -4.276 -13.828 -0.605 188 HA3 GLY 27 3HA GLY 27 -5.018 -15.090 0.399 189 H GLU 28 H GLU 28 -3.186 -12.539 1.980 190 HA GLU 28 HA GLU 28 -5.438 -11.712 3.534 191 HB2 GLU 28 2HB GLU 28 -2.762 -10.345 3.013 192 HB3 GLU 28 3HB GLU 28 -3.975 -9.765 4.154 193 HG2 GLU 28 2HG GLU 28 -3.822 -12.234 5.130 194 HG3 GLU 28 3HG GLU 28 -2.228 -12.212 4.353 195 H ASP 29 H ASP 29 -6.734 -9.857 3.453 196 HA ASP 29 HA ASP 29 -7.443 -8.883 0.936 197 HB2 ASP 29 2HB ASP 29 -7.872 -7.588 3.667 198 HB3 ASP 29 3HB ASP 29 -8.748 -7.186 2.185 199 H VAL 30 H VAL 30 -6.488 -7.403 -0.396 200 HA VAL 30 HA VAL 30 -4.731 -5.362 0.844 201 HB VAL 30 HB VAL 30 -3.280 -5.495 -1.096 202 HG11 VAL 30 1HG1 VAL 30 -2.987 -8.301 -0.450 203 HG12 VAL 30 2HG1 VAL 30 -2.009 -6.932 0.081 204 HG13 VAL 30 3HG1 VAL 30 -3.432 -7.432 1.011 205 HG21 VAL 30 1HG2 VAL 30 -3.391 -7.418 -2.658 206 HG22 VAL 30 2HG2 VAL 30 -4.915 -7.933 -1.927 207 HG23 VAL 30 3HG2 VAL 30 -4.821 -6.383 -2.799 208 H ARG 31 H ARG 31 -4.829 -3.280 -0.010 209 HA ARG 31 HA ARG 31 -7.155 -2.814 -1.829 210 HB2 ARG 31 2HB ARG 31 -7.559 -2.049 0.481 211 HB3 ARG 31 3HB ARG 31 -6.069 -1.088 0.443 212 HG2 ARG 31 2HG ARG 31 -6.982 0.292 -1.379 213 HG3 ARG 31 3HG ARG 31 -8.441 -0.703 -1.452 214 HD2 ARG 31 2HD ARG 31 -7.588 0.760 1.079 215 HD3 ARG 31 3HD ARG 31 -8.524 1.568 -0.169 216 HE ARG 31 HE ARG 31 -9.461 -0.322 1.783 217 HH11 ARG 31 1HH1 ARG 31 -12.761 -0.287 0.534 218 HH12 ARG 31 2HH1 ARG 31 -11.762 -0.699 1.875 219 HH21 ARG 31 1HH2 ARG 31 -11.806 0.700 -1.394 220 HH22 ARG 31 2HH2 ARG 31 -10.098 0.979 -1.428 221 H ARG 32 H ARG 32 -6.211 -2.506 -3.821 222 HA ARG 32 HA ARG 32 -3.558 -1.328 -3.975 223 HB2 ARG 32 2HB ARG 32 -3.728 -1.559 -6.364 224 HB3 ARG 32 3HB ARG 32 -4.256 -3.035 -5.563 225 HG2 ARG 32 2HG ARG 32 -5.917 -2.899 -7.080 226 HG3 ARG 32 3HG ARG 32 -6.688 -1.892 -5.860 227 HD2 ARG 32 2HD ARG 32 -5.719 0.140 -7.095 228 HD3 ARG 32 3HD ARG 32 -5.079 -0.975 -8.291 229 HE ARG 32 HE ARG 32 -7.150 -1.272 -9.192 230 HH11 ARG 32 1HH1 ARG 32 -10.260 0.135 -8.324 231 HH12 ARG 32 2HH1 ARG 32 -9.386 -0.752 -9.516 232 HH21 ARG 32 1HH2 ARG 32 -9.163 0.840 -6.336 233 HH22 ARG 32 2HH2 ARG 32 -7.506 0.422 -6.100 234 H LEU 33 H LEU 33 -3.045 0.732 -4.108 235 HA LEU 33 HA LEU 33 -4.893 2.853 -3.867 236 HB2 LEU 33 2HB LEU 33 -1.991 2.803 -4.830 237 HB3 LEU 33 3HB LEU 33 -2.812 4.191 -4.169 238 HG LEU 33 HG LEU 33 -2.050 1.625 -2.743 239 HD11 LEU 33 1HD1 LEU 33 -0.341 3.523 -3.258 240 HD12 LEU 33 2HD1 LEU 33 -1.127 4.359 -1.910 241 HD13 LEU 33 3HD1 LEU 33 -0.380 2.772 -1.659 242 HD21 LEU 33 1HD2 LEU 33 -3.678 3.845 -1.545 243 HD22 LEU 33 2HD2 LEU 33 -4.114 2.141 -1.751 244 HD23 LEU 33 3HD2 LEU 33 -2.821 2.587 -0.638 245 HA PRO 34 HA PRO 34 -5.670 3.715 -8.193 246 HB2 PRO 34 2HB PRO 34 -5.708 6.459 -8.311 247 HB3 PRO 34 3HB PRO 34 -7.007 5.484 -7.555 248 HG2 PRO 34 2HG PRO 34 -4.657 6.828 -6.192 249 HG3 PRO 34 3HG PRO 34 -6.390 6.911 -5.735 250 HD2 PRO 34 2HD PRO 34 -4.702 5.188 -4.508 251 HD3 PRO 34 3HD PRO 34 -6.367 4.687 -4.907 252 H CYS 35 H CYS 35 -2.679 4.612 -6.620 253 HA CYS 35 HA CYS 35 -1.379 5.406 -9.218 254 HB2 CYS 35 2HB CYS 35 0.031 6.604 -7.959 255 HB3 CYS 35 3HB CYS 35 -1.424 6.795 -6.998 256 H MET 36 H MET 36 -2.211 2.708 -8.684 257 HA MET 36 HA MET 36 -1.629 0.572 -8.356 258 HB2 MET 36 2HB MET 36 0.342 1.451 -10.486 259 HB3 MET 36 3HB MET 36 -0.011 -0.231 -10.064 260 HG2 MET 36 2HG MET 36 -1.696 -0.161 -11.524 261 HG3 MET 36 3HG MET 36 -2.554 0.814 -10.341 262 HE1 MET 36 1HE MET 36 0.279 1.188 -13.040 263 HE2 MET 36 2HE MET 36 -1.157 0.540 -13.865 264 HE3 MET 36 3HE MET 36 -0.570 2.171 -14.258 265 H HIS 37 H HIS 37 -1.024 0.658 -6.173 266 HA HIS 37 HA HIS 37 1.683 -0.369 -5.724 267 HB2 HIS 37 1HB HIS 37 0.781 2.420 -4.999 268 HB3 HIS 37 2HB HIS 37 1.724 1.532 -3.810 269 HD2 HIS 37 2HD HIS 37 4.014 0.293 -4.874 270 HE1 HIS 37 1HE HIS 37 4.904 3.561 -7.444 271 HE2 HIS 37 2HE HIS 37 5.839 1.449 -6.353 272 H LEU 38 H LEU 38 0.458 -2.304 -5.028 273 HA LEU 38 HA LEU 38 -1.717 -1.999 -3.097 274 HB2 LEU 38 2HB LEU 38 -2.182 -4.191 -3.399 275 HB3 LEU 38 3HB LEU 38 -1.349 -3.863 -4.909 276 HG LEU 38 HG LEU 38 0.781 -4.692 -3.548 277 HD11 LEU 38 1HD1 LEU 38 0.390 -6.293 -1.856 278 HD12 LEU 38 2HD1 LEU 38 -0.684 -4.963 -1.386 279 HD13 LEU 38 3HD1 LEU 38 -1.337 -6.388 -2.208 280 HD21 LEU 38 1HD2 LEU 38 -1.441 -6.413 -4.702 281 HD22 LEU 38 2HD2 LEU 38 0.076 -5.880 -5.489 282 HD23 LEU 38 3HD2 LEU 38 0.107 -7.084 -4.195 283 H PHE 39 H PHE 39 -1.694 -2.312 -0.927 284 HA PHE 39 HA PHE 39 0.698 -3.335 0.420 285 HB2 PHE 39 2HB PHE 39 -0.223 -0.466 0.830 286 HB3 PHE 39 3HB PHE 39 0.923 -1.294 1.876 287 HD1 PHE 39 1HD PHE 39 2.846 -2.586 0.136 288 HD2 PHE 39 2HD PHE 39 0.894 1.230 -0.310 289 HE1 PHE 39 1HE PHE 39 4.668 -1.831 -1.333 290 HE2 PHE 39 2HE PHE 39 2.780 2.028 -1.702 291 HZ PHE 39 HZ PHE 39 4.661 0.494 -2.251 292 H HIS 40 H HIS 40 -1.524 -4.768 0.668 293 HA HIS 40 HA HIS 40 -2.901 -5.691 2.290 294 HB2 HIS 40 1HB HIS 40 -0.811 -4.561 3.722 295 HB3 HIS 40 2HB HIS 40 -2.224 -3.784 4.426 296 HD2 HIS 40 2HD HIS 40 -3.858 -6.861 4.143 297 HE1 HIS 40 1HE HIS 40 -1.216 -7.634 7.373 298 HE2 HIS 40 2HE HIS 40 -3.302 -8.395 6.195 299 H GLN 41 H GLN 41 -4.631 -4.785 4.140 300 HA GLN 41 HA GLN 41 -6.017 -2.482 2.882 301 HB2 GLN 41 2HB GLN 41 -7.109 -4.815 3.331 302 HB3 GLN 41 3HB GLN 41 -7.223 -4.271 5.009 303 HG2 GLN 41 2HG GLN 41 -8.400 -2.188 4.153 304 HG3 GLN 41 3HG GLN 41 -8.349 -2.894 2.530 305 HE21 GLN 41 1HE2 GLN 41 -10.207 -4.080 1.929 306 HE22 GLN 41 2HE2 GLN 41 -11.274 -4.783 3.131 307 H VAL 42 H VAL 42 -5.588 -3.691 6.265 308 HA VAL 42 HA VAL 42 -6.156 -1.235 7.467 309 HB VAL 42 HB VAL 42 -4.513 -3.591 8.480 310 HG11 VAL 42 1HG1 VAL 42 -3.996 -1.700 9.912 311 HG12 VAL 42 2HG1 VAL 42 -5.711 -1.232 9.999 312 HG13 VAL 42 3HG1 VAL 42 -5.143 -2.736 10.766 313 HG21 VAL 42 1HG2 VAL 42 -6.635 -4.192 9.624 314 HG22 VAL 42 2HG2 VAL 42 -7.440 -2.808 8.859 315 HG23 VAL 42 3HG2 VAL 42 -6.853 -4.162 7.872 316 H CYS 43 H CYS 43 -2.945 -2.479 6.399 317 HA CYS 43 HA CYS 43 -1.217 -0.618 7.689 318 HB2 CYS 43 2HB CYS 43 -1.204 -2.187 5.100 319 HB3 CYS 43 3HB CYS 43 0.062 -1.140 5.538 320 H VAL 44 H VAL 44 -2.613 -0.453 4.375 321 HA VAL 44 HA VAL 44 -1.709 2.045 3.695 322 HB VAL 44 HB VAL 44 -4.292 0.575 3.025 323 HG11 VAL 44 1HG1 VAL 44 -4.977 2.901 2.739 324 HG12 VAL 44 2HG1 VAL 44 -3.484 3.269 1.850 325 HG13 VAL 44 3HG1 VAL 44 -4.695 2.170 1.160 326 HG21 VAL 44 1HG2 VAL 44 -3.224 0.221 0.894 327 HG22 VAL 44 2HG2 VAL 44 -1.925 1.379 1.293 328 HG23 VAL 44 3HG2 VAL 44 -2.056 -0.149 2.169 329 H ASP 45 H ASP 45 -4.756 1.227 5.436 330 HA ASP 45 HA ASP 45 -5.434 4.027 5.922 331 HB2 ASP 45 2HB ASP 45 -7.055 2.169 5.343 332 HB3 ASP 45 3HB ASP 45 -6.752 1.470 6.936 333 H GLN 46 H GLN 46 -3.046 3.719 6.970 334 HA GLN 46 HA GLN 46 -3.433 4.216 9.805 335 HB2 GLN 46 2HB GLN 46 -2.878 1.626 9.330 336 HB3 GLN 46 3HB GLN 46 -1.244 2.226 9.146 337 HG2 GLN 46 2HG GLN 46 -1.163 1.866 11.395 338 HG3 GLN 46 3HG GLN 46 -1.870 3.481 11.470 339 HE21 GLN 46 1HE2 GLN 46 -3.078 0.098 10.875 340 HE22 GLN 46 2HE2 GLN 46 -4.380 0.230 12.051 341 H ARG 47 H ARG 47 -0.929 3.491 7.295 342 HA ARG 47 HA ARG 47 0.728 5.711 8.228 343 HB2 ARG 47 2HB ARG 47 1.669 3.685 7.245 344 HB3 ARG 47 3HB ARG 47 0.939 4.085 5.678 345 HG2 ARG 47 2HG ARG 47 2.309 6.201 5.644 346 HG3 ARG 47 3HG ARG 47 3.018 5.715 7.194 347 HD2 ARG 47 2HD ARG 47 3.497 3.454 5.721 348 HD3 ARG 47 3HD ARG 47 3.464 4.637 4.427 349 HE ARG 47 HE ARG 47 5.440 5.541 5.177 350 HH11 ARG 47 1HH1 ARG 47 7.490 4.578 7.883 351 HH12 ARG 47 2HH1 ARG 47 7.396 5.525 6.445 352 HH21 ARG 47 1HH2 ARG 47 5.651 3.241 8.549 353 HH22 ARG 47 2HH2 ARG 47 4.195 3.315 7.635 354 H LEU 48 H LEU 48 -1.613 5.238 5.508 355 HA LEU 48 HA LEU 48 -0.983 7.956 4.537 356 HB2 LEU 48 2HB LEU 48 -2.865 5.808 3.459 357 HB3 LEU 48 3HB LEU 48 -2.614 7.384 2.755 358 HG LEU 48 HG LEU 48 -1.297 6.079 1.426 359 HD11 LEU 48 1HD1 LEU 48 0.733 6.897 3.539 360 HD12 LEU 48 2HD1 LEU 48 1.018 6.636 1.809 361 HD13 LEU 48 3HD1 LEU 48 0.010 7.996 2.337 362 HD21 LEU 48 1HD2 LEU 48 -1.432 3.989 2.647 363 HD22 LEU 48 2HD2 LEU 48 0.232 4.301 2.133 364 HD23 LEU 48 3HD2 LEU 48 -0.235 4.543 3.825 365 H ILE 49 H ILE 49 -1.900 7.988 7.120 366 HA ILE 49 HA ILE 49 -4.731 8.826 6.978 367 HB ILE 49 HB ILE 49 -2.690 8.564 9.226 368 HG12 ILE 49 2HG1 ILE 49 -3.778 6.481 8.299 369 HG13 ILE 49 3HG1 ILE 49 -3.984 6.758 10.028 370 HG21 ILE 49 1HG2 ILE 49 -4.009 10.486 9.842 371 HG22 ILE 49 2HG2 ILE 49 -5.518 9.673 9.384 372 HG23 ILE 49 3HG2 ILE 49 -4.581 9.106 10.787 373 HD11 ILE 49 1HD1 ILE 49 -6.293 7.500 9.672 374 HD12 ILE 49 2HD1 ILE 49 -6.094 7.350 7.907 375 HD13 ILE 49 3HD1 ILE 49 -6.029 5.914 8.941 376 H THR 50 H THR 50 -1.573 10.179 8.103 377 HA THR 50 HA THR 50 -2.564 12.889 7.592 378 HB THR 50 HB THR 50 -1.285 12.319 9.614 379 HG1 THR 50 1HG THR 50 -0.091 14.173 7.852 380 HG21 THR 50 1HG2 THR 50 0.332 10.676 8.748 381 HG22 THR 50 2HG2 THR 50 1.106 11.938 7.761 382 HG23 THR 50 3HG2 THR 50 1.151 12.034 9.530 383 H ASN 51 H ASN 51 -1.843 10.782 5.275 384 HA ASN 51 HA ASN 51 -0.621 12.791 3.584 385 HB2 ASN 51 2HB ASN 51 1.273 11.491 4.893 386 HB3 ASN 51 3HB ASN 51 0.867 10.150 3.808 387 HD21 ASN 51 1HD2 ASN 51 3.411 11.227 3.710 388 HD22 ASN 51 2HD2 ASN 51 3.593 12.175 2.248 389 H LYS 52 H LYS 52 -0.978 12.183 1.305 390 HA LYS 52 HA LYS 52 -2.207 9.606 0.710 391 HB2 LYS 52 2HB LYS 52 -4.387 10.617 -0.056 392 HB3 LYS 52 3HB LYS 52 -4.194 10.476 1.673 393 HG2 LYS 52 2HG LYS 52 -3.257 13.089 0.603 394 HG3 LYS 52 3HG LYS 52 -4.965 12.776 0.298 395 HD2 LYS 52 2HD LYS 52 -5.520 12.664 2.566 396 HD3 LYS 52 3HD LYS 52 -3.885 12.233 3.058 397 HE2 LYS 52 2HE LYS 52 -4.388 14.543 3.722 398 HE3 LYS 52 3HE LYS 52 -3.075 14.495 2.536 399 HZ1 LYS 52 1HZ LYS 52 -4.649 16.212 1.996 400 HZ2 LYS 52 2HZ LYS 52 -4.697 15.056 0.825 401 HZ3 LYS 52 3HZ LYS 52 -5.895 15.137 1.945 402 H LYS 53 H LYS 53 -0.005 10.305 -0.500 403 HA LYS 53 HA LYS 53 -0.823 11.019 -3.196 404 HB2 LYS 53 2HB LYS 53 0.848 12.799 -3.495 405 HB3 LYS 53 3HB LYS 53 -0.453 13.249 -2.385 406 HG2 LYS 53 2HG LYS 53 1.020 12.708 -0.456 407 HG3 LYS 53 3HG LYS 53 2.340 12.318 -1.573 408 HD2 LYS 53 2HD LYS 53 2.290 14.621 -2.437 409 HD3 LYS 53 3HD LYS 53 0.983 15.030 -1.293 410 HE2 LYS 53 2HE LYS 53 2.366 14.637 0.611 411 HE3 LYS 53 3HE LYS 53 3.568 13.759 -0.344 412 HZ1 LYS 53 1HZ LYS 53 4.327 15.968 0.202 413 HZ2 LYS 53 2HZ LYS 53 4.167 15.800 -1.425 414 HZ3 LYS 53 3HZ LYS 53 3.043 16.651 -0.571 415 H CYS 54 H CYS 54 0.624 10.036 -4.686 416 HA CYS 54 HA CYS 54 2.670 8.112 -3.611 417 HB2 CYS 54 2HB CYS 54 1.132 8.451 -6.060 418 HB3 CYS 54 3HB CYS 54 2.862 8.457 -6.398 419 HA PRO 55 HA PRO 55 5.694 11.350 -3.682 420 HB2 PRO 55 2HB PRO 55 8.044 9.948 -3.603 421 HB3 PRO 55 3HB PRO 55 6.898 9.986 -2.226 422 HG2 PRO 55 2HG PRO 55 7.120 7.872 -4.396 423 HG3 PRO 55 3HG PRO 55 7.089 7.627 -2.618 424 HD2 PRO 55 2HD PRO 55 4.835 7.379 -4.116 425 HD3 PRO 55 3HD PRO 55 4.775 8.152 -2.500 426 H ILE 56 H ILE 56 5.600 9.000 -6.242 427 HA ILE 56 HA ILE 56 6.967 10.972 -7.994 428 HB ILE 56 HB ILE 56 7.814 9.101 -9.386 429 HG12 ILE 56 2HG1 ILE 56 8.124 6.935 -7.755 430 HG13 ILE 56 3HG1 ILE 56 6.500 7.406 -7.280 431 HG21 ILE 56 1HG2 ILE 56 9.201 10.333 -7.768 432 HG22 ILE 56 2HG2 ILE 56 8.821 9.132 -6.516 433 HG23 ILE 56 3HG2 ILE 56 9.734 8.658 -7.966 434 HD11 ILE 56 1HD1 ILE 56 6.377 5.796 -9.089 435 HD12 ILE 56 2HD1 ILE 56 5.866 7.356 -9.755 436 HD13 ILE 56 3HD1 ILE 56 7.495 6.747 -10.086 437 H CYS 57 H CYS 57 4.515 8.297 -7.872 438 HA CYS 57 HA CYS 57 3.319 8.856 -10.382 439 HB2 CYS 57 2HB CYS 57 1.467 8.224 -8.195 440 HB3 CYS 57 3HB CYS 57 1.665 7.478 -9.752 441 H ARG 58 H ARG 58 3.195 10.671 -7.337 442 HA ARG 58 HA ARG 58 2.283 12.603 -6.719 443 HB2 ARG 58 2HB ARG 58 3.878 13.033 -8.841 444 HB3 ARG 58 3HB ARG 58 2.384 13.694 -9.512 445 HG2 ARG 58 2HG ARG 58 2.199 15.192 -7.492 446 HG3 ARG 58 3HG ARG 58 3.701 14.473 -6.868 447 HD2 ARG 58 2HD ARG 58 4.795 15.180 -9.070 448 HD3 ARG 58 3HD ARG 58 3.344 16.161 -9.372 449 HE ARG 58 HE ARG 58 4.194 16.843 -6.816 450 HH11 ARG 58 1HH1 ARG 58 6.754 19.164 -7.571 451 HH12 ARG 58 2HH1 ARG 58 5.718 18.556 -6.335 452 HH21 ARG 58 1HH2 ARG 58 6.663 18.240 -9.753 453 HH22 ARG 58 2HH2 ARG 58 5.534 16.971 -10.071 454 H VAL 59 H VAL 59 0.389 10.609 -7.434 455 HA VAL 59 HA VAL 59 -1.988 12.172 -8.288 456 HB VAL 59 HB VAL 59 -1.164 9.251 -8.316 457 HG11 VAL 59 1HG1 VAL 59 -4.050 10.222 -8.465 458 HG12 VAL 59 2HG1 VAL 59 -3.483 8.606 -8.939 459 HG13 VAL 59 3HG1 VAL 59 -3.354 9.117 -7.257 460 HG21 VAL 59 1HG2 VAL 59 -2.576 10.999 -10.379 461 HG22 VAL 59 2HG2 VAL 59 -0.824 10.742 -10.313 462 HG23 VAL 59 3HG2 VAL 59 -1.901 9.374 -10.636 463 H ASP 60 H ASP 60 -3.711 12.295 -6.786 464 HA ASP 60 HA ASP 60 -3.055 11.968 -3.987 465 HB2 ASP 60 2HB ASP 60 -5.499 12.831 -5.548 466 HB3 ASP 60 3HB ASP 60 -5.667 12.336 -3.861 467 H ILE 61 H ILE 61 -3.100 10.094 -2.967 468 HA ILE 61 HA ILE 61 -4.000 7.647 -4.193 469 HB ILE 61 HB ILE 61 -3.038 8.355 -1.389 470 HG12 ILE 61 2HG1 ILE 61 -1.300 8.995 -2.765 471 HG13 ILE 61 3HG1 ILE 61 -0.834 7.372 -2.281 472 HG21 ILE 61 1HG2 ILE 61 -2.859 5.656 -2.718 473 HG22 ILE 61 2HG2 ILE 61 -2.437 6.105 -1.051 474 HG23 ILE 61 3HG2 ILE 61 -4.133 6.095 -1.570 475 HD11 ILE 61 1HD1 ILE 61 -2.030 8.281 -4.935 476 HD12 ILE 61 2HD1 ILE 61 -0.416 7.666 -4.618 477 HD13 ILE 61 3HD1 ILE 61 -1.826 6.578 -4.482 478 H GLU 62 H GLU 62 -5.249 9.937 -1.814 479 HA GLU 62 HA GLU 62 -7.781 8.513 -1.749 480 HB2 GLU 62 2HB GLU 62 -6.255 7.670 0.181 481 HB3 GLU 62 3HB GLU 62 -6.424 9.279 0.876 482 HG2 GLU 62 2HG GLU 62 -8.794 9.063 1.104 483 HG3 GLU 62 3HG GLU 62 -8.867 7.695 -0.013 484 H ALA 63 H ALA 63 -9.471 10.002 -0.804 485 HA ALA 63 HA ALA 63 -8.752 12.832 -0.736 486 HB1 ALA 63 1HB ALA 63 -9.066 12.421 -3.148 487 HB2 ALA 63 2HB ALA 63 -10.615 11.607 -2.830 488 HB3 ALA 63 3HB ALA 63 -10.439 13.349 -2.515 489 H GLN 64 H GLN 64 -11.074 14.023 -0.369 490 HA GLN 64 HA GLN 64 -12.808 12.242 1.216 491 HB2 GLN 64 2HB GLN 64 -10.781 13.565 2.510 492 HB3 GLN 64 3HB GLN 64 -11.973 14.855 2.450 493 HG2 GLN 64 2HG GLN 64 -12.666 13.909 4.393 494 HG3 GLN 64 3HG GLN 64 -13.589 12.851 3.330 495 HE21 GLN 64 1HE2 GLN 64 -11.459 11.022 2.398 496 HE22 GLN 64 2HE2 GLN 64 -10.871 10.240 3.838 497 H LEU 65 H LEU 65 -14.935 12.797 0.759 498 HA LEU 65 HA LEU 65 -15.598 15.581 0.312 499 HB2 LEU 65 2HB LEU 65 -14.708 14.395 -1.919 500 HB3 LEU 65 3HB LEU 65 -16.338 13.787 -2.023 501 HG LEU 65 HG LEU 65 -16.087 16.719 -1.410 502 HD11 LEU 65 1HD1 LEU 65 -14.192 16.415 -2.930 503 HD12 LEU 65 2HD1 LEU 65 -15.238 15.582 -4.103 504 HD13 LEU 65 3HD1 LEU 65 -15.499 17.303 -3.727 505 HD21 LEU 65 1HD2 LEU 65 -17.868 16.899 -3.078 506 HD22 LEU 65 2HD2 LEU 65 -17.678 15.188 -3.511 507 HD23 LEU 65 3HD2 LEU 65 -18.274 15.639 -1.897 508 HA PRO 66 HA PRO 66 -18.582 12.743 2.310 509 HB2 PRO 66 2HB PRO 66 -19.156 14.163 4.567 510 HB3 PRO 66 3HB PRO 66 -17.576 13.375 4.316 511 HG2 PRO 66 2HG PRO 66 -18.291 16.276 3.761 512 HG3 PRO 66 3HG PRO 66 -16.926 15.645 4.743 513 HD2 PRO 66 2HD PRO 66 -16.619 16.331 2.123 514 HD3 PRO 66 3HD PRO 66 -15.755 14.927 2.825 515 H SER 67 H SER 67 -19.371 14.480 0.068 516 HA SER 67 HA SER 67 -21.140 15.428 -0.898 517 HB2 SER 67 2HB SER 67 -22.141 13.308 0.221 518 HB3 SER 67 3HB SER 67 -22.920 14.436 1.341 519 HG SER 67 HG SER 67 -23.118 14.614 -1.494 520 H GLU 68 H GLU 68 -19.708 16.770 1.597 521 HA GLU 68 HA GLU 68 -21.409 19.163 1.593 522 HB2 GLU 68 2HB GLU 68 -22.066 17.705 3.524 523 HB3 GLU 68 3HB GLU 68 -20.408 17.780 4.128 524 HG2 GLU 68 2HG GLU 68 -20.601 20.228 4.386 525 HG3 GLU 68 3HG GLU 68 -22.195 20.202 3.620 526 H SER 69 H SER 69 -19.784 19.964 0.206 527 HA SER 69 HA SER 69 -17.019 20.242 1.227 528 HB2 SER 69 2HB SER 69 -16.772 21.309 -1.086 529 HB3 SER 69 3HB SER 69 -17.193 19.579 -1.109 530 HG SER 69 HG SER 69 -19.093 21.676 -1.172 Start of MODEL 19 1 H1 MET 1 H1 MET 1 13.950 -39.077 10.625 2 H2 MET 1 H2 MET 1 15.436 -38.439 10.273 3 H3 MET 1 H3 MET 1 14.071 -37.757 9.651 4 HA MET 1 HA MET 1 15.135 -39.002 7.942 5 HB2 MET 1 2HB MET 1 14.883 -41.319 9.912 6 HB3 MET 1 3HB MET 1 15.307 -41.466 8.193 7 HG2 MET 1 2HG MET 1 17.110 -39.642 8.770 8 HG3 MET 1 3HG MET 1 16.887 -40.184 10.432 9 HE1 MET 1 1HE MET 1 18.352 -43.776 10.410 10 HE2 MET 1 2HE MET 1 17.610 -42.471 11.358 11 HE3 MET 1 3HE MET 1 16.620 -43.426 10.221 12 H LYS 2 H LYS 2 13.423 -38.625 6.609 13 HA LYS 2 HA LYS 2 11.435 -40.489 6.206 14 HB2 LYS 2 2HB LYS 2 9.363 -39.168 6.751 15 HB3 LYS 2 3HB LYS 2 10.173 -39.927 8.090 16 HG2 LYS 2 2HG LYS 2 9.985 -38.006 9.177 17 HG3 LYS 2 3HG LYS 2 11.277 -37.365 8.171 18 HD2 LYS 2 2HD LYS 2 9.545 -36.501 6.569 19 HD3 LYS 2 3HD LYS 2 8.277 -37.164 7.610 20 HE2 LYS 2 2HE LYS 2 8.898 -35.713 9.432 21 HE3 LYS 2 3HE LYS 2 10.390 -35.217 8.615 22 HZ1 LYS 2 1HZ LYS 2 7.681 -34.603 7.627 23 HZ2 LYS 2 2HZ LYS 2 8.653 -33.556 8.444 24 HZ3 LYS 2 3HZ LYS 2 9.109 -34.106 6.964 25 H GLN 3 H GLN 3 11.601 -36.883 6.150 26 HA GLN 3 HA GLN 3 12.210 -36.754 3.352 27 HB2 GLN 3 2HB GLN 3 9.685 -37.272 3.404 28 HB3 GLN 3 3HB GLN 3 9.479 -35.724 4.240 29 HG2 GLN 3 2HG GLN 3 10.397 -34.520 2.314 30 HG3 GLN 3 3HG GLN 3 10.859 -36.048 1.539 31 HE21 GLN 3 1HE2 GLN 3 9.522 -36.110 -0.305 32 HE22 GLN 3 2HE2 GLN 3 7.773 -35.994 -0.177 33 H ASP 4 H ASP 4 12.796 -34.590 2.804 34 HA ASP 4 HA ASP 4 12.953 -32.753 5.102 35 HB2 ASP 4 2HB ASP 4 15.135 -34.047 4.457 36 HB3 ASP 4 3HB ASP 4 15.140 -33.036 3.009 37 H GLY 5 H GLY 5 11.530 -31.303 4.519 38 HA2 GLY 5 2HA GLY 5 10.874 -30.747 1.708 39 HA3 GLY 5 3HA GLY 5 10.067 -30.081 3.144 40 H GLU 6 H GLU 6 10.767 -28.455 0.965 41 HA GLU 6 HA GLU 6 12.666 -26.596 2.181 42 HB2 GLU 6 2HB GLU 6 13.208 -28.169 -0.299 43 HB3 GLU 6 3HB GLU 6 13.361 -26.432 -0.516 44 HG2 GLU 6 2HG GLU 6 14.790 -26.407 1.620 45 HG3 GLU 6 3HG GLU 6 14.864 -28.168 1.462 46 H GLU 7 H GLU 7 12.644 -24.643 0.301 47 HA GLU 7 HA GLU 7 9.771 -24.102 -0.185 48 HB2 GLU 7 2HB GLU 7 11.243 -22.871 1.807 49 HB3 GLU 7 3HB GLU 7 11.508 -21.769 0.451 50 HG2 GLU 7 2HG GLU 7 8.979 -21.783 0.093 51 HG3 GLU 7 3HG GLU 7 8.838 -22.727 1.579 52 H GLY 8 H GLY 8 10.175 -21.645 -1.536 53 HA2 GLY 8 2HA GLY 8 11.650 -22.582 -3.964 54 HA3 GLY 8 3HA GLY 8 10.281 -21.457 -3.954 55 H THR 9 H THR 9 11.585 -19.874 -5.087 56 HA THR 9 HA THR 9 12.982 -18.129 -3.279 57 HB THR 9 HB THR 9 14.852 -19.554 -3.897 58 HG1 THR 9 1HG THR 9 15.280 -17.375 -5.570 59 HG21 THR 9 1HG2 THR 9 15.603 -19.739 -6.257 60 HG22 THR 9 2HG2 THR 9 14.049 -20.537 -5.976 61 HG23 THR 9 3HG2 THR 9 14.093 -18.957 -6.788 62 H GLU 10 H GLU 10 13.601 -16.144 -4.632 63 HA GLU 10 HA GLU 10 13.342 -14.616 -6.312 64 HB2 GLU 10 2HB GLU 10 12.448 -16.634 -7.814 65 HB3 GLU 10 3HB GLU 10 10.872 -15.918 -7.454 66 HG2 GLU 10 2HG GLU 10 11.467 -14.829 -9.418 67 HG3 GLU 10 3HG GLU 10 12.051 -13.670 -8.216 68 H GLU 11 H GLU 11 12.146 -12.606 -6.101 69 HA GLU 11 HA GLU 11 9.476 -12.707 -5.028 70 HB2 GLU 11 2HB GLU 11 9.896 -11.400 -3.029 71 HB3 GLU 11 3HB GLU 11 10.789 -12.917 -2.926 72 HG2 GLU 11 2HG GLU 11 12.881 -11.736 -3.598 73 HG3 GLU 11 3HG GLU 11 11.979 -10.215 -3.706 74 H ASP 12 H ASP 12 8.485 -10.508 -5.123 75 HA ASP 12 HA ASP 12 10.089 -8.337 -6.209 76 HB2 ASP 12 2HB ASP 12 9.156 -9.865 -8.146 77 HB3 ASP 12 3HB ASP 12 7.607 -9.112 -7.756 78 H THR 13 H THR 13 8.493 -6.304 -6.272 79 HA THR 13 HA THR 13 6.834 -6.277 -3.862 80 HB THR 13 HB THR 13 7.149 -4.132 -5.999 81 HG1 THR 13 1HG THR 13 8.800 -4.718 -3.771 82 HG21 THR 13 1HG2 THR 13 5.411 -3.692 -4.255 83 HG22 THR 13 2HG2 THR 13 6.616 -3.979 -2.984 84 HG23 THR 13 3HG2 THR 13 6.791 -2.598 -4.094 85 H GLU 14 H GLU 14 5.690 -8.239 -5.207 86 HA GLU 14 HA GLU 14 3.646 -7.233 -7.028 87 HB2 GLU 14 2HB GLU 14 4.846 -9.379 -7.343 88 HB3 GLU 14 3HB GLU 14 4.128 -10.002 -5.850 89 HG2 GLU 14 2HG GLU 14 2.038 -10.282 -6.816 90 HG3 GLU 14 3HG GLU 14 2.189 -8.828 -7.799 91 H GLU 15 H GLU 15 3.872 -8.672 -3.702 92 HA GLU 15 HA GLU 15 1.315 -7.326 -3.033 93 HB2 GLU 15 2HB GLU 15 0.252 -9.371 -2.326 94 HB3 GLU 15 3HB GLU 15 0.748 -9.501 -4.012 95 HG2 GLU 15 2HG GLU 15 2.926 -10.643 -2.968 96 HG3 GLU 15 3HG GLU 15 1.855 -10.930 -1.591 97 H LYS 16 H LYS 16 3.750 -6.531 -2.200 98 HA LYS 16 HA LYS 16 4.095 -7.694 0.549 99 HB2 LYS 16 2HB LYS 16 6.250 -6.405 -1.150 100 HB3 LYS 16 3HB LYS 16 6.443 -7.233 0.403 101 HG2 LYS 16 2HG LYS 16 5.427 -9.317 -0.768 102 HG3 LYS 16 3HG LYS 16 5.689 -8.460 -2.284 103 HD2 LYS 16 2HD LYS 16 7.829 -9.304 -0.274 104 HD3 LYS 16 3HD LYS 16 7.550 -9.955 -1.903 105 HE2 LYS 16 2HE LYS 16 7.954 -7.670 -2.806 106 HE3 LYS 16 3HE LYS 16 8.284 -7.110 -1.171 107 HZ1 LYS 16 1HZ LYS 16 10.181 -8.665 -1.111 108 HZ2 LYS 16 2HZ LYS 16 9.836 -9.233 -2.548 109 HZ3 LYS 16 3HZ LYS 16 10.343 -7.679 -2.416 110 H CYS 17 H CYS 17 3.527 -6.389 2.136 111 HA CYS 17 HA CYS 17 2.845 -3.567 1.982 112 HB2 CYS 17 2HB CYS 17 2.094 -5.452 3.612 113 HB3 CYS 17 3HB CYS 17 3.616 -5.164 4.436 114 H THR 18 H THR 18 4.365 -2.015 1.624 115 HA THR 18 HA THR 18 7.102 -2.416 2.755 116 HB THR 18 HB THR 18 7.696 -0.437 1.428 117 HG1 THR 18 1HG THR 18 5.119 -0.581 0.292 118 HG21 THR 18 1HG2 THR 18 7.965 -2.625 0.375 119 HG22 THR 18 2HG2 THR 18 6.281 -2.657 -0.140 120 HG23 THR 18 3HG2 THR 18 7.394 -1.461 -0.836 121 H ILE 19 H ILE 19 4.213 -1.513 3.933 122 HA ILE 19 HA ILE 19 4.972 1.024 5.183 123 HB ILE 19 HB ILE 19 2.531 -0.695 5.522 124 HG12 ILE 19 2HG1 ILE 19 3.325 1.297 3.421 125 HG13 ILE 19 3HG1 ILE 19 2.321 -0.170 3.294 126 HG21 ILE 19 1HG2 ILE 19 3.070 2.225 6.128 127 HG22 ILE 19 2HG2 ILE 19 1.558 1.385 6.495 128 HG23 ILE 19 3HG2 ILE 19 3.022 0.957 7.366 129 HD11 ILE 19 1HD1 ILE 19 1.023 1.802 2.886 130 HD12 ILE 19 2HD1 ILE 19 0.488 0.952 4.348 131 HD13 ILE 19 3HD1 ILE 19 1.438 2.466 4.481 132 H CYS 20 H CYS 20 3.735 -2.170 6.360 133 HA CYS 20 HA CYS 20 5.375 -1.894 8.877 134 HB2 CYS 20 2HB CYS 20 3.839 -3.206 9.946 135 HB3 CYS 20 3HB CYS 20 2.868 -2.032 9.069 136 H LEU 21 H LEU 21 6.355 -2.630 6.186 137 HA LEU 21 HA LEU 21 7.682 -4.191 5.166 138 HB2 LEU 21 2HB LEU 21 8.614 -3.958 8.040 139 HB3 LEU 21 3HB LEU 21 9.588 -4.747 6.801 140 HG LEU 21 HG LEU 21 8.560 -1.904 6.427 141 HD11 LEU 21 1HD1 LEU 21 10.783 -1.142 7.216 142 HD12 LEU 21 2HD1 LEU 21 9.845 -1.920 8.501 143 HD13 LEU 21 3HD1 LEU 21 11.170 -2.807 7.712 144 HD21 LEU 21 1HD2 LEU 21 9.369 -3.012 4.388 145 HD22 LEU 21 2HD2 LEU 21 10.543 -1.795 4.902 146 HD23 LEU 21 3HD2 LEU 21 10.859 -3.512 5.220 147 H SER 22 H SER 22 5.782 -5.742 4.901 148 HA SER 22 HA SER 22 6.675 -8.384 5.691 149 HB2 SER 22 2HB SER 22 4.236 -8.788 6.673 150 HB3 SER 22 3HB SER 22 5.554 -8.221 7.706 151 HG SER 22 HG SER 22 4.739 -6.222 7.722 152 H ILE 23 H ILE 23 5.513 -10.068 4.562 153 HA ILE 23 HA ILE 23 4.311 -9.050 2.086 154 HB ILE 23 HB ILE 23 5.108 -11.873 2.943 155 HG12 ILE 23 2HG1 ILE 23 6.872 -11.359 1.091 156 HG13 ILE 23 3HG1 ILE 23 6.483 -9.661 1.380 157 HG21 ILE 23 1HG2 ILE 23 3.431 -12.025 1.229 158 HG22 ILE 23 2HG2 ILE 23 4.139 -10.664 0.318 159 HG23 ILE 23 3HG2 ILE 23 4.972 -12.228 0.413 160 HD11 ILE 23 1HD1 ILE 23 8.550 -10.691 2.505 161 HD12 ILE 23 2HD1 ILE 23 7.503 -9.716 3.526 162 HD13 ILE 23 3HD1 ILE 23 7.415 -11.501 3.606 163 H LEU 24 H LEU 24 2.255 -9.999 1.344 164 HA LEU 24 HA LEU 24 0.379 -10.302 3.634 165 HB2 LEU 24 2HB LEU 24 -0.243 -9.483 0.752 166 HB3 LEU 24 3HB LEU 24 -1.293 -9.370 2.153 167 HG LEU 24 HG LEU 24 1.354 -7.840 1.847 168 HD11 LEU 24 1HD1 LEU 24 -0.319 -7.374 0.076 169 HD12 LEU 24 2HD1 LEU 24 -1.455 -6.848 1.351 170 HD13 LEU 24 3HD1 LEU 24 0.099 -5.996 1.108 171 HD21 LEU 24 1HD2 LEU 24 0.722 -8.034 4.149 172 HD22 LEU 24 2HD2 LEU 24 0.180 -6.429 3.594 173 HD23 LEU 24 3HD2 LEU 24 -0.987 -7.761 3.758 174 H GLU 25 H GLU 25 0.447 -11.204 0.204 175 HA GLU 25 HA GLU 25 -0.179 -12.927 -0.948 176 HB2 GLU 25 2HB GLU 25 0.907 -15.012 -0.552 177 HB3 GLU 25 3HB GLU 25 2.009 -13.685 -0.240 178 HG2 GLU 25 2HG GLU 25 1.842 -13.974 2.156 179 HG3 GLU 25 3HG GLU 25 0.523 -15.149 1.979 180 H GLU 26 H GLU 26 -0.934 -15.582 -0.185 181 HA GLU 26 HA GLU 26 -3.711 -14.865 0.215 182 HB2 GLU 26 2HB GLU 26 -3.067 -16.639 -1.328 183 HB3 GLU 26 3HB GLU 26 -2.386 -17.598 -0.003 184 HG2 GLU 26 2HG GLU 26 -5.221 -16.745 0.377 185 HG3 GLU 26 3HG GLU 26 -4.965 -17.781 -1.022 186 H GLY 27 H GLY 27 -4.669 -14.695 2.066 187 HA2 GLY 27 2HA GLY 27 -5.029 -15.825 4.337 188 HA3 GLY 27 3HA GLY 27 -3.286 -15.632 4.557 189 H GLU 28 H GLU 28 -3.299 -12.872 3.144 190 HA GLU 28 HA GLU 28 -4.571 -11.418 5.423 191 HB2 GLU 28 2HB GLU 28 -1.887 -10.939 4.090 192 HB3 GLU 28 3HB GLU 28 -2.667 -9.851 5.239 193 HG2 GLU 28 2HG GLU 28 -2.796 -11.840 6.858 194 HG3 GLU 28 3HG GLU 28 -1.710 -12.701 5.760 195 H ASP 29 H ASP 29 -4.943 -9.094 5.021 196 HA ASP 29 HA ASP 29 -6.581 -8.904 2.653 197 HB2 ASP 29 2HB ASP 29 -5.983 -7.028 4.977 198 HB3 ASP 29 3HB ASP 29 -6.985 -6.542 3.606 199 H VAL 30 H VAL 30 -6.267 -7.731 0.840 200 HA VAL 30 HA VAL 30 -3.705 -6.239 0.546 201 HB VAL 30 HB VAL 30 -3.529 -7.117 -1.683 202 HG11 VAL 30 1HG1 VAL 30 -4.120 -9.468 0.166 203 HG12 VAL 30 2HG1 VAL 30 -3.018 -9.441 -1.220 204 HG13 VAL 30 3HG1 VAL 30 -2.641 -8.495 0.229 205 HG21 VAL 30 1HG2 VAL 30 -5.789 -7.381 -2.451 206 HG22 VAL 30 2HG2 VAL 30 -5.055 -8.988 -2.463 207 HG23 VAL 30 3HG2 VAL 30 -6.169 -8.541 -1.161 208 H ARG 31 H ARG 31 -3.820 -4.267 -0.548 209 HA ARG 31 HA ARG 31 -6.298 -3.568 -1.943 210 HB2 ARG 31 2HB ARG 31 -6.552 -3.028 0.519 211 HB3 ARG 31 3HB ARG 31 -5.256 -1.841 0.357 212 HG2 ARG 31 2HG ARG 31 -7.659 -1.781 -1.489 213 HG3 ARG 31 3HG ARG 31 -7.823 -1.179 0.160 214 HD2 ARG 31 2HD ARG 31 -6.515 0.675 -0.185 215 HD3 ARG 31 3HD ARG 31 -5.477 -0.131 -1.357 216 HE ARG 31 HE ARG 31 -6.775 0.570 -3.058 217 HH11 ARG 31 1HH1 ARG 31 -9.940 2.048 -3.241 218 HH12 ARG 31 2HH1 ARG 31 -8.517 1.590 -4.116 219 HH21 ARG 31 1HH2 ARG 31 -10.083 1.657 -0.925 220 HH22 ARG 31 2HH2 ARG 31 -8.747 0.909 -0.115 221 H ARG 32 H ARG 32 -5.559 -2.657 -3.843 222 HA ARG 32 HA ARG 32 -2.917 -1.298 -3.752 223 HB2 ARG 32 2HB ARG 32 -3.012 -1.272 -6.221 224 HB3 ARG 32 3HB ARG 32 -2.924 -2.884 -5.521 225 HG2 ARG 32 2HG ARG 32 -4.804 -3.521 -6.473 226 HG3 ARG 32 3HG ARG 32 -5.721 -2.139 -5.882 227 HD2 ARG 32 2HD ARG 32 -5.042 -0.771 -7.762 228 HD3 ARG 32 3HD ARG 32 -3.879 -1.997 -8.291 229 HE ARG 32 HE ARG 32 -5.504 -3.148 -9.343 230 HH11 ARG 32 1HH1 ARG 32 -9.018 -2.988 -9.262 231 HH12 ARG 32 2HH1 ARG 32 -7.648 -3.730 -9.996 232 HH21 ARG 32 1HH2 ARG 32 -8.702 -1.369 -7.550 233 HH22 ARG 32 2HH2 ARG 32 -7.088 -0.959 -7.074 234 H LEU 33 H LEU 33 -2.720 0.815 -3.787 235 HA LEU 33 HA LEU 33 -4.949 2.581 -3.915 236 HB2 LEU 33 2HB LEU 33 -1.888 2.820 -4.021 237 HB3 LEU 33 3HB LEU 33 -2.936 4.207 -4.069 238 HG LEU 33 HG LEU 33 -2.310 4.080 -1.839 239 HD11 LEU 33 1HD1 LEU 33 -4.865 2.428 -1.679 240 HD12 LEU 33 2HD1 LEU 33 -4.290 3.679 -0.568 241 HD13 LEU 33 3HD1 LEU 33 -4.875 4.128 -2.181 242 HD21 LEU 33 1HD2 LEU 33 -2.893 1.111 -1.628 243 HD22 LEU 33 2HD2 LEU 33 -1.282 1.805 -1.947 244 HD23 LEU 33 3HD2 LEU 33 -2.140 2.202 -0.456 245 HA PRO 34 HA PRO 34 -5.145 3.186 -8.248 246 HB2 PRO 34 2HB PRO 34 -5.691 5.871 -8.475 247 HB3 PRO 34 3HB PRO 34 -6.861 4.668 -7.849 248 HG2 PRO 34 2HG PRO 34 -5.032 6.486 -6.254 249 HG3 PRO 34 3HG PRO 34 -6.786 6.197 -6.019 250 HD2 PRO 34 2HD PRO 34 -4.928 4.895 -4.548 251 HD3 PRO 34 3HD PRO 34 -6.406 4.057 -5.096 252 H CYS 35 H CYS 35 -2.529 4.491 -6.408 253 HA CYS 35 HA CYS 35 -1.146 5.710 -8.789 254 HB2 CYS 35 2HB CYS 35 0.156 6.801 -7.271 255 HB3 CYS 35 3HB CYS 35 -1.426 6.874 -6.500 256 H MET 36 H MET 36 -1.771 2.917 -8.650 257 HA MET 36 HA MET 36 -0.972 0.849 -8.747 258 HB2 MET 36 2HB MET 36 1.309 2.418 -10.019 259 HB3 MET 36 3HB MET 36 1.095 0.669 -10.199 260 HG2 MET 36 2HG MET 36 -1.010 0.930 -11.301 261 HG3 MET 36 3HG MET 36 -1.099 2.648 -10.920 262 HE1 MET 36 1HE MET 36 1.740 3.921 -11.750 263 HE2 MET 36 2HE MET 36 1.168 4.431 -13.353 264 HE3 MET 36 3HE MET 36 0.070 4.501 -11.957 265 H HIS 37 H HIS 37 -0.862 0.755 -6.360 266 HA HIS 37 HA HIS 37 1.807 -0.184 -5.552 267 HB2 HIS 37 1HB HIS 37 0.557 2.418 -4.692 268 HB3 HIS 37 2HB HIS 37 1.281 1.435 -3.429 269 HD2 HIS 37 2HD HIS 37 3.831 0.443 -4.096 270 HE1 HIS 37 1HE HIS 37 5.016 4.068 -5.973 271 HE2 HIS 37 2HE HIS 37 5.858 1.915 -4.880 272 H LEU 38 H LEU 38 1.131 -2.282 -4.895 273 HA LEU 38 HA LEU 38 -1.450 -2.643 -3.547 274 HB2 LEU 38 2HB LEU 38 -0.658 -4.014 -5.534 275 HB3 LEU 38 3HB LEU 38 0.636 -4.645 -4.524 276 HG LEU 38 HG LEU 38 -2.356 -4.966 -4.050 277 HD11 LEU 38 1HD1 LEU 38 -0.385 -7.170 -4.594 278 HD12 LEU 38 2HD1 LEU 38 -2.139 -7.179 -4.793 279 HD13 LEU 38 3HD1 LEU 38 -1.112 -6.271 -5.933 280 HD21 LEU 38 1HD2 LEU 38 -1.442 -6.800 -2.406 281 HD22 LEU 38 2HD2 LEU 38 0.006 -5.789 -2.371 282 HD23 LEU 38 3HD2 LEU 38 -1.566 -5.125 -1.860 283 H PHE 39 H PHE 39 -1.420 -2.529 -1.321 284 HA PHE 39 HA PHE 39 0.805 -3.832 0.098 285 HB2 PHE 39 2HB PHE 39 -0.192 -1.024 0.654 286 HB3 PHE 39 3HB PHE 39 0.925 -1.895 1.697 287 HD1 PHE 39 1HD PHE 39 1.054 0.872 -0.050 288 HD2 PHE 39 2HD PHE 39 2.781 -3.056 -0.369 289 HE1 PHE 39 1HE PHE 39 2.978 1.805 -1.306 290 HE2 PHE 39 2HE PHE 39 4.632 -2.156 -1.703 291 HZ PHE 39 HZ PHE 39 4.786 0.301 -2.118 292 H HIS 40 H HIS 40 -0.038 -3.492 2.673 293 HA HIS 40 HA HIS 40 -2.314 -5.210 2.963 294 HB2 HIS 40 1HB HIS 40 -0.531 -3.590 4.634 295 HB3 HIS 40 2HB HIS 40 -2.172 -3.490 5.226 296 HD2 HIS 40 2HD HIS 40 -3.123 -6.509 5.102 297 HE1 HIS 40 1HE HIS 40 0.328 -7.231 7.507 298 HE2 HIS 40 2HE HIS 40 -1.838 -8.193 6.708 299 H GLN 41 H GLN 41 -4.556 -4.699 3.247 300 HA GLN 41 HA GLN 41 -5.460 -2.086 2.546 301 HB2 GLN 41 2HB GLN 41 -6.817 -4.188 2.435 302 HB3 GLN 41 3HB GLN 41 -7.013 -4.127 4.190 303 HG2 GLN 41 2HG GLN 41 -8.379 -2.257 4.138 304 HG3 GLN 41 3HG GLN 41 -7.608 -1.579 2.708 305 HE21 GLN 41 1HE2 GLN 41 -10.443 -1.626 3.082 306 HE22 GLN 41 2HE2 GLN 41 -11.071 -2.678 1.811 307 H VAL 42 H VAL 42 -4.908 -3.533 5.808 308 HA VAL 42 HA VAL 42 -5.889 -1.205 7.165 309 HB VAL 42 HB VAL 42 -4.005 -3.416 8.089 310 HG11 VAL 42 1HG1 VAL 42 -4.705 -2.671 10.401 311 HG12 VAL 42 2HG1 VAL 42 -3.669 -1.502 9.573 312 HG13 VAL 42 3HG1 VAL 42 -5.420 -1.218 9.669 313 HG21 VAL 42 1HG2 VAL 42 -6.293 -4.167 7.452 314 HG22 VAL 42 2HG2 VAL 42 -6.061 -4.258 9.202 315 HG23 VAL 42 3HG2 VAL 42 -6.991 -2.918 8.502 316 H CYS 43 H CYS 43 -2.428 -2.222 6.677 317 HA CYS 43 HA CYS 43 -1.117 -0.072 7.706 318 HB2 CYS 43 2HB CYS 43 -0.471 -1.586 5.178 319 HB3 CYS 43 3HB CYS 43 0.594 -0.539 6.089 320 H VAL 44 H VAL 44 -2.349 -0.214 4.247 321 HA VAL 44 HA VAL 44 -1.305 2.369 3.692 322 HB VAL 44 HB VAL 44 -2.831 2.508 1.807 323 HG11 VAL 44 1HG1 VAL 44 -2.120 0.304 0.736 324 HG12 VAL 44 2HG1 VAL 44 -0.828 1.268 1.487 325 HG13 VAL 44 3HG1 VAL 44 -1.475 -0.164 2.307 326 HG21 VAL 44 1HG2 VAL 44 -4.153 0.015 2.899 327 HG22 VAL 44 2HG2 VAL 44 -4.923 1.584 2.606 328 HG23 VAL 44 3HG2 VAL 44 -4.353 0.608 1.250 329 H ASP 45 H ASP 45 -4.528 1.371 4.958 330 HA ASP 45 HA ASP 45 -5.387 4.113 5.376 331 HB2 ASP 45 2HB ASP 45 -6.509 1.401 6.185 332 HB3 ASP 45 3HB ASP 45 -7.317 2.934 6.502 333 H GLN 46 H GLN 46 -2.840 3.065 6.749 334 HA GLN 46 HA GLN 46 -3.517 3.922 9.511 335 HB2 GLN 46 2HB GLN 46 -3.052 1.455 9.320 336 HB3 GLN 46 3HB GLN 46 -1.437 1.859 8.726 337 HG2 GLN 46 2HG GLN 46 -1.100 3.175 10.893 338 HG3 GLN 46 3HG GLN 46 -2.597 2.419 11.465 339 HE21 GLN 46 1HE2 GLN 46 0.784 2.065 11.426 340 HE22 GLN 46 2HE2 GLN 46 0.816 0.325 11.687 341 H ARG 47 H ARG 47 -0.591 3.332 7.437 342 HA ARG 47 HA ARG 47 0.784 5.581 8.548 343 HB2 ARG 47 2HB ARG 47 1.893 3.641 7.536 344 HB3 ARG 47 3HB ARG 47 1.365 4.185 5.931 345 HG2 ARG 47 2HG ARG 47 2.683 6.269 6.202 346 HG3 ARG 47 3HG ARG 47 3.107 5.793 7.861 347 HD2 ARG 47 2HD ARG 47 4.232 3.765 6.980 348 HD3 ARG 47 3HD ARG 47 3.853 4.291 5.317 349 HE ARG 47 HE ARG 47 5.266 6.328 6.732 350 HH11 ARG 47 1HH1 ARG 47 8.508 5.325 5.740 351 HH12 ARG 47 2HH1 ARG 47 7.580 6.573 6.484 352 HH21 ARG 47 1HH2 ARG 47 7.450 3.314 5.026 353 HH22 ARG 47 2HH2 ARG 47 5.753 3.162 5.231 354 H LEU 48 H LEU 48 -1.400 5.227 5.724 355 HA LEU 48 HA LEU 48 -0.978 8.118 5.120 356 HB2 LEU 48 2HB LEU 48 -2.282 5.904 3.499 357 HB3 LEU 48 3HB LEU 48 -2.272 7.581 3.048 358 HG LEU 48 HG LEU 48 -0.032 7.624 2.476 359 HD11 LEU 48 1HD1 LEU 48 0.413 4.990 3.929 360 HD12 LEU 48 2HD1 LEU 48 1.594 5.783 2.866 361 HD13 LEU 48 3HD1 LEU 48 1.098 6.593 4.348 362 HD21 LEU 48 1HD2 LEU 48 0.221 5.724 0.923 363 HD22 LEU 48 2HD2 LEU 48 -0.995 4.801 1.831 364 HD23 LEU 48 3HD2 LEU 48 -1.466 6.271 0.955 365 H ILE 49 H ILE 49 -2.294 7.503 7.566 366 HA ILE 49 HA ILE 49 -5.158 7.899 7.131 367 HB ILE 49 HB ILE 49 -3.307 8.233 9.519 368 HG12 ILE 49 2HG1 ILE 49 -5.791 6.504 9.082 369 HG13 ILE 49 3HG1 ILE 49 -4.167 5.974 8.697 370 HG21 ILE 49 1HG2 ILE 49 -5.315 8.785 10.895 371 HG22 ILE 49 2HG2 ILE 49 -4.985 10.055 9.740 372 HG23 ILE 49 3HG2 ILE 49 -6.291 8.893 9.417 373 HD11 ILE 49 1HD1 ILE 49 -3.520 6.392 11.124 374 HD12 ILE 49 2HD1 ILE 49 -5.244 6.682 11.462 375 HD13 ILE 49 3HD1 ILE 49 -4.721 5.105 10.885 376 H THR 50 H THR 50 -2.581 10.135 8.337 377 HA THR 50 HA THR 50 -4.249 12.384 7.424 378 HB THR 50 HB THR 50 -3.383 12.320 9.706 379 HG1 THR 50 1HG THR 50 -3.714 14.328 8.770 380 HG21 THR 50 1HG2 THR 50 -0.642 12.259 8.410 381 HG22 THR 50 2HG2 THR 50 -0.908 12.900 10.037 382 HG23 THR 50 3HG2 THR 50 -1.309 11.212 9.686 383 H ASN 51 H ASN 51 -3.253 10.837 5.251 384 HA ASN 51 HA ASN 51 -1.817 12.880 3.816 385 HB2 ASN 51 2HB ASN 51 -0.071 11.396 5.207 386 HB3 ASN 51 3HB ASN 51 -0.357 10.226 3.913 387 HD21 ASN 51 1HD2 ASN 51 2.045 11.929 4.657 388 HD22 ASN 51 2HD2 ASN 51 2.440 12.782 3.179 389 H LYS 52 H LYS 52 -1.807 12.277 1.472 390 HA LYS 52 HA LYS 52 -2.814 9.747 0.591 391 HB2 LYS 52 2HB LYS 52 -4.819 11.853 1.187 392 HB3 LYS 52 3HB LYS 52 -4.975 11.203 -0.431 393 HG2 LYS 52 2HG LYS 52 -5.745 9.211 0.232 394 HG3 LYS 52 3HG LYS 52 -4.631 9.052 1.575 395 HD2 LYS 52 2HD LYS 52 -5.990 10.581 2.951 396 HD3 LYS 52 3HD LYS 52 -7.080 10.858 1.580 397 HE2 LYS 52 2HE LYS 52 -7.393 8.274 1.570 398 HE3 LYS 52 3HE LYS 52 -6.647 8.308 3.179 399 HZ1 LYS 52 1HZ LYS 52 -9.087 9.759 2.351 400 HZ2 LYS 52 2HZ LYS 52 -9.054 8.429 3.314 401 HZ3 LYS 52 3HZ LYS 52 -8.421 9.867 3.829 402 H LYS 53 H LYS 53 -0.622 10.515 -0.260 403 HA LYS 53 HA LYS 53 -1.108 11.260 -2.999 404 HB2 LYS 53 2HB LYS 53 0.828 12.847 -3.117 405 HB3 LYS 53 3HB LYS 53 -0.649 13.495 -2.409 406 HG2 LYS 53 2HG LYS 53 0.246 13.705 -0.307 407 HG3 LYS 53 3HG LYS 53 1.365 12.346 -0.487 408 HD2 LYS 53 2HD LYS 53 2.906 13.570 -1.762 409 HD3 LYS 53 3HD LYS 53 1.757 14.868 -2.128 410 HE2 LYS 53 2HE LYS 53 2.614 14.241 0.719 411 HE3 LYS 53 3HE LYS 53 3.579 15.302 -0.323 412 HZ1 LYS 53 1HZ LYS 53 0.742 15.738 0.363 413 HZ2 LYS 53 2HZ LYS 53 2.015 16.546 1.020 414 HZ3 LYS 53 3HZ LYS 53 1.669 16.723 -0.577 415 H CYS 54 H CYS 54 0.547 10.335 -4.370 416 HA CYS 54 HA CYS 54 2.415 8.360 -3.049 417 HB2 CYS 54 2HB CYS 54 1.005 8.517 -5.563 418 HB3 CYS 54 3HB CYS 54 2.733 8.664 -5.860 419 HA PRO 55 HA PRO 55 5.206 11.966 -3.460 420 HB2 PRO 55 2HB PRO 55 7.091 11.303 -1.637 421 HB3 PRO 55 3HB PRO 55 5.433 11.730 -1.128 422 HG2 PRO 55 2HG PRO 55 6.560 8.939 -1.563 423 HG3 PRO 55 3HG PRO 55 5.711 9.571 -0.114 424 HD2 PRO 55 2HD PRO 55 4.417 8.191 -2.101 425 HD3 PRO 55 3HD PRO 55 3.631 9.520 -1.191 426 H ILE 56 H ILE 56 5.146 10.279 -5.534 427 HA ILE 56 HA ILE 56 7.683 10.329 -6.664 428 HB ILE 56 HB ILE 56 8.286 8.424 -5.339 429 HG12 ILE 56 2HG1 ILE 56 8.086 6.714 -7.605 430 HG13 ILE 56 3HG1 ILE 56 8.206 8.356 -8.235 431 HG21 ILE 56 1HG2 ILE 56 6.025 6.762 -6.470 432 HG22 ILE 56 2HG2 ILE 56 7.213 6.328 -5.242 433 HG23 ILE 56 3HG2 ILE 56 5.978 7.530 -4.858 434 HD11 ILE 56 1HD1 ILE 56 10.109 7.077 -6.234 435 HD12 ILE 56 2HD1 ILE 56 10.429 7.392 -7.952 436 HD13 ILE 56 3HD1 ILE 56 10.216 8.753 -6.831 437 H CYS 57 H CYS 57 4.689 8.275 -6.754 438 HA CYS 57 HA CYS 57 4.265 8.489 -9.593 439 HB2 CYS 57 2HB CYS 57 1.891 8.223 -7.842 440 HB3 CYS 57 3HB CYS 57 2.376 7.304 -9.244 441 H ARG 58 H ARG 58 3.678 10.736 -6.992 442 HA ARG 58 HA ARG 58 2.853 12.773 -6.816 443 HB2 ARG 58 2HB ARG 58 4.706 13.023 -8.568 444 HB3 ARG 58 3HB ARG 58 3.429 13.203 -9.769 445 HG2 ARG 58 2HG ARG 58 3.003 14.909 -7.378 446 HG3 ARG 58 3HG ARG 58 4.570 15.189 -8.134 447 HD2 ARG 58 2HD ARG 58 3.431 15.569 -10.318 448 HD3 ARG 58 3HD ARG 58 1.860 15.412 -9.500 449 HE ARG 58 HE ARG 58 3.292 17.278 -8.026 450 HH11 ARG 58 1HH1 ARG 58 2.634 20.219 -9.844 451 HH12 ARG 58 2HH1 ARG 58 3.197 19.574 -8.350 452 HH21 ARG 58 1HH2 ARG 58 1.990 18.745 -11.599 453 HH22 ARG 58 2HH2 ARG 58 2.067 17.040 -11.316 454 H VAL 59 H VAL 59 0.849 11.226 -6.695 455 HA VAL 59 HA VAL 59 -1.274 12.629 -8.160 456 HB VAL 59 HB VAL 59 -0.438 10.325 -9.199 457 HG11 VAL 59 1HG1 VAL 59 -1.588 8.379 -8.476 458 HG12 VAL 59 2HG1 VAL 59 -0.685 9.051 -7.098 459 HG13 VAL 59 3HG1 VAL 59 -2.449 9.262 -7.208 460 HG21 VAL 59 1HG2 VAL 59 -2.348 11.684 -10.029 461 HG22 VAL 59 2HG2 VAL 59 -2.696 9.948 -10.100 462 HG23 VAL 59 3HG2 VAL 59 -3.406 10.937 -8.810 463 H ASP 60 H ASP 60 -3.366 12.315 -7.058 464 HA ASP 60 HA ASP 60 -3.122 12.156 -4.162 465 HB2 ASP 60 2HB ASP 60 -5.528 12.692 -4.213 466 HB3 ASP 60 3HB ASP 60 -4.521 13.878 -5.036 467 H ILE 61 H ILE 61 -3.521 10.350 -2.982 468 HA ILE 61 HA ILE 61 -4.069 7.846 -4.349 469 HB ILE 61 HB ILE 61 -3.683 8.551 -1.405 470 HG12 ILE 61 2HG1 ILE 61 -1.722 9.257 -2.417 471 HG13 ILE 61 3HG1 ILE 61 -1.324 7.664 -1.800 472 HG21 ILE 61 1HG2 ILE 61 -3.380 5.885 -2.818 473 HG22 ILE 61 2HG2 ILE 61 -2.914 6.244 -1.139 474 HG23 ILE 61 3HG2 ILE 61 -4.614 6.333 -1.620 475 HD11 ILE 61 1HD1 ILE 61 -1.819 8.579 -4.641 476 HD12 ILE 61 2HD1 ILE 61 -0.419 7.738 -3.951 477 HD13 ILE 61 3HD1 ILE 61 -1.947 6.862 -4.194 478 H GLU 62 H GLU 62 -5.852 10.289 -2.641 479 HA GLU 62 HA GLU 62 -7.947 8.571 -1.632 480 HB2 GLU 62 2HB GLU 62 -7.369 10.784 -0.665 481 HB3 GLU 62 3HB GLU 62 -7.934 11.589 -2.133 482 HG2 GLU 62 2HG GLU 62 -10.206 10.856 -1.758 483 HG3 GLU 62 3HG GLU 62 -9.688 9.662 -0.560 484 H ALA 63 H ALA 63 -9.428 7.552 -2.934 485 HA ALA 63 HA ALA 63 -10.698 9.067 -5.081 486 HB1 ALA 63 1HB ALA 63 -8.750 8.096 -6.254 487 HB2 ALA 63 2HB ALA 63 -9.168 6.480 -5.635 488 HB3 ALA 63 3HB ALA 63 -10.253 7.309 -6.775 489 H GLN 64 H GLN 64 -11.947 8.609 -2.849 490 HA GLN 64 HA GLN 64 -13.779 6.452 -3.457 491 HB2 GLN 64 2HB GLN 64 -11.941 5.421 -2.065 492 HB3 GLN 64 3HB GLN 64 -12.376 6.511 -0.741 493 HG2 GLN 64 2HG GLN 64 -14.550 5.494 -0.523 494 HG3 GLN 64 3HG GLN 64 -14.382 4.635 -2.062 495 HE21 GLN 64 1HE2 GLN 64 -14.582 3.930 1.081 496 HE22 GLN 64 2HE2 GLN 64 -13.447 2.597 1.155 497 H LEU 65 H LEU 65 -15.780 6.740 -2.076 498 HA LEU 65 HA LEU 65 -16.653 9.399 -2.013 499 HB2 LEU 65 2HB LEU 65 -18.154 7.511 -2.134 500 HB3 LEU 65 3HB LEU 65 -17.630 6.913 -0.563 501 HG LEU 65 HG LEU 65 -18.582 9.675 -0.324 502 HD11 LEU 65 1HD1 LEU 65 -19.967 9.153 -2.272 503 HD12 LEU 65 2HD1 LEU 65 -20.532 7.653 -1.498 504 HD13 LEU 65 3HD1 LEU 65 -20.961 9.233 -0.808 505 HD21 LEU 65 1HD2 LEU 65 -18.372 8.026 1.537 506 HD22 LEU 65 2HD2 LEU 65 -20.016 8.665 1.399 507 HD23 LEU 65 3HD2 LEU 65 -19.647 7.035 0.790 508 HA PRO 66 HA PRO 66 -14.468 10.485 1.787 509 HB2 PRO 66 2HB PRO 66 -14.952 13.178 1.808 510 HB3 PRO 66 3HB PRO 66 -13.790 12.417 0.677 511 HG2 PRO 66 2HG PRO 66 -16.667 13.203 0.142 512 HG3 PRO 66 3HG PRO 66 -15.221 13.524 -0.869 513 HD2 PRO 66 2HD PRO 66 -16.930 11.427 -1.323 514 HD3 PRO 66 3HD PRO 66 -15.174 11.316 -1.664 515 H SER 67 H SER 67 -15.150 11.314 3.954 516 HA SER 67 HA SER 67 -17.976 11.724 4.426 517 HB2 SER 67 2HB SER 67 -17.644 9.192 4.178 518 HB3 SER 67 3HB SER 67 -16.645 9.265 5.645 519 HG SER 67 HG SER 67 -18.958 8.811 5.919 520 H GLU 68 H GLU 68 -17.859 11.206 7.190 521 HA GLU 68 HA GLU 68 -16.596 13.520 8.223 522 HB2 GLU 68 2HB GLU 68 -17.870 11.050 9.360 523 HB3 GLU 68 3HB GLU 68 -16.867 12.015 10.455 524 HG2 GLU 68 2HG GLU 68 -18.157 13.991 10.103 525 HG3 GLU 68 3HG GLU 68 -19.009 13.289 8.721 526 H SER 69 H SER 69 -15.481 10.078 8.514 527 HA SER 69 HA SER 69 -12.800 10.766 8.031 528 HB2 SER 69 2HB SER 69 -13.429 11.302 10.664 529 HB3 SER 69 3HB SER 69 -12.924 9.603 10.763 530 HG SER 69 HG SER 69 -11.169 11.066 10.986 Start of MODEL 20 1 H1 MET 1 H1 MET 1 36.511 -27.152 -5.389 2 H2 MET 1 H2 MET 1 37.871 -28.060 -5.624 3 H3 MET 1 H3 MET 1 36.378 -28.719 -5.866 4 HA MET 1 HA MET 1 37.285 -29.515 -3.840 5 HB2 MET 1 2HB MET 1 37.559 -26.570 -3.240 6 HB3 MET 1 3HB MET 1 37.346 -27.754 -1.928 7 HG2 MET 1 2HG MET 1 39.219 -29.073 -2.712 8 HG3 MET 1 3HG MET 1 39.476 -27.996 -4.085 9 HE1 MET 1 1HE MET 1 41.144 -24.887 -2.630 10 HE2 MET 1 2HE MET 1 40.651 -25.805 -4.069 11 HE3 MET 1 3HE MET 1 39.419 -25.036 -3.034 12 H LYS 2 H LYS 2 35.242 -26.839 -2.533 13 HA LYS 2 HA LYS 2 32.879 -28.549 -3.004 14 HB2 LYS 2 2HB LYS 2 34.003 -29.328 -0.906 15 HB3 LYS 2 3HB LYS 2 33.891 -27.684 -0.259 16 HG2 LYS 2 2HG LYS 2 31.414 -27.793 -0.435 17 HG3 LYS 2 3HG LYS 2 31.533 -29.442 -1.086 18 HD2 LYS 2 2HD LYS 2 32.524 -30.264 0.961 19 HD3 LYS 2 3HD LYS 2 32.684 -28.633 1.626 20 HE2 LYS 2 2HE LYS 2 30.025 -29.955 0.927 21 HE3 LYS 2 3HE LYS 2 30.748 -29.967 2.543 22 HZ1 LYS 2 1HZ LYS 2 30.653 -27.562 2.548 23 HZ2 LYS 2 2HZ LYS 2 29.966 -27.541 1.052 24 HZ3 LYS 2 3HZ LYS 2 29.153 -28.196 2.320 25 H GLN 3 H GLN 3 31.388 -27.131 -3.805 26 HA GLN 3 HA GLN 3 30.635 -24.765 -2.423 27 HB2 GLN 3 2HB GLN 3 32.663 -24.493 -4.514 28 HB3 GLN 3 3HB GLN 3 31.166 -23.732 -5.052 29 HG2 GLN 3 2HG GLN 3 31.043 -22.367 -3.045 30 HG3 GLN 3 3HG GLN 3 32.440 -23.193 -2.337 31 HE21 GLN 3 1HE2 GLN 3 32.140 -20.271 -2.907 32 HE22 GLN 3 2HE2 GLN 3 33.463 -19.932 -4.013 33 H ASP 4 H ASP 4 28.835 -23.683 -3.904 34 HA ASP 4 HA ASP 4 27.761 -25.403 -5.968 35 HB2 ASP 4 2HB ASP 4 26.920 -26.434 -3.800 36 HB3 ASP 4 3HB ASP 4 26.025 -24.959 -3.491 37 H GLY 5 H GLY 5 26.193 -23.093 -3.783 38 HA2 GLY 5 2HA GLY 5 26.778 -20.615 -4.684 39 HA3 GLY 5 3HA GLY 5 25.605 -21.203 -5.895 40 H GLU 6 H GLU 6 24.610 -19.107 -4.399 41 HA GLU 6 HA GLU 6 22.486 -20.518 -3.007 42 HB2 GLU 6 2HB GLU 6 24.281 -20.071 -1.252 43 HB3 GLU 6 3HB GLU 6 23.985 -18.344 -1.478 44 HG2 GLU 6 2HG GLU 6 21.613 -18.660 -0.852 45 HG3 GLU 6 3HG GLU 6 21.846 -20.410 -0.770 46 H GLU 7 H GLU 7 20.932 -19.721 -4.454 47 HA GLU 7 HA GLU 7 20.341 -16.928 -4.311 48 HB2 GLU 7 2HB GLU 7 22.156 -17.561 -6.342 49 HB3 GLU 7 3HB GLU 7 20.603 -17.657 -7.178 50 HG2 GLU 7 2HG GLU 7 20.025 -15.387 -6.241 51 HG3 GLU 7 3HG GLU 7 21.618 -15.325 -5.481 52 H GLY 8 H GLY 8 18.432 -16.720 -6.315 53 HA2 GLY 8 2HA GLY 8 16.804 -19.034 -6.621 54 HA3 GLY 8 3HA GLY 8 16.249 -18.069 -5.233 55 H THR 9 H THR 9 14.264 -17.359 -6.375 56 HA THR 9 HA THR 9 14.714 -15.081 -8.055 57 HB THR 9 HB THR 9 15.010 -16.963 -9.672 58 HG1 THR 9 1HG THR 9 14.323 -15.221 -10.640 59 HG21 THR 9 1HG2 THR 9 13.114 -18.323 -10.346 60 HG22 THR 9 2HG2 THR 9 13.475 -18.594 -8.629 61 HG23 THR 9 3HG2 THR 9 12.088 -17.583 -9.102 62 H GLU 10 H GLU 10 12.249 -14.633 -8.993 63 HA GLU 10 HA GLU 10 10.151 -14.010 -8.540 64 HB2 GLU 10 2HB GLU 10 10.104 -16.537 -7.943 65 HB3 GLU 10 3HB GLU 10 9.949 -16.009 -6.268 66 HG2 GLU 10 2HG GLU 10 7.784 -15.296 -6.570 67 HG3 GLU 10 3HG GLU 10 8.089 -14.698 -8.203 68 H GLU 11 H GLU 11 8.655 -13.504 -6.312 69 HA GLU 11 HA GLU 11 8.286 -12.160 -4.587 70 HB2 GLU 11 2HB GLU 11 9.910 -13.957 -3.657 71 HB3 GLU 11 3HB GLU 11 11.104 -12.665 -3.605 72 HG2 GLU 11 2HG GLU 11 8.806 -11.501 -2.467 73 HG3 GLU 11 3HG GLU 11 8.735 -13.167 -1.901 74 H ASP 12 H ASP 12 8.386 -10.332 -6.414 75 HA ASP 12 HA ASP 12 10.217 -8.262 -5.369 76 HB2 ASP 12 2HB ASP 12 11.213 -9.280 -7.457 77 HB3 ASP 12 3HB ASP 12 9.795 -8.689 -8.342 78 H THR 13 H THR 13 9.145 -6.460 -5.015 79 HA THR 13 HA THR 13 7.073 -5.610 -4.160 80 HB THR 13 HB THR 13 8.295 -4.078 -5.509 81 HG1 THR 13 1HG THR 13 5.546 -3.994 -6.102 82 HG21 THR 13 1HG2 THR 13 7.764 -3.649 -7.886 83 HG22 THR 13 2HG2 THR 13 8.541 -5.218 -7.635 84 HG23 THR 13 3HG2 THR 13 6.793 -5.136 -7.936 85 H GLU 14 H GLU 14 6.169 -8.095 -4.397 86 HA GLU 14 HA GLU 14 3.924 -8.085 -6.306 87 HB2 GLU 14 2HB GLU 14 5.899 -9.816 -6.168 88 HB3 GLU 14 3HB GLU 14 5.015 -10.465 -4.812 89 HG2 GLU 14 2HG GLU 14 4.232 -11.727 -6.636 90 HG3 GLU 14 3HG GLU 14 2.962 -10.510 -6.453 91 H GLU 15 H GLU 15 4.467 -9.421 -2.906 92 HA GLU 15 HA GLU 15 2.004 -8.000 -2.133 93 HB2 GLU 15 2HB GLU 15 0.997 -9.993 -1.207 94 HB3 GLU 15 3HB GLU 15 1.213 -10.146 -2.933 95 HG2 GLU 15 2HG GLU 15 2.851 -11.555 -0.775 96 HG3 GLU 15 3HG GLU 15 1.678 -12.263 -1.863 97 H LYS 16 H LYS 16 4.083 -6.895 -1.352 98 HA LYS 16 HA LYS 16 4.755 -7.898 1.395 99 HB2 LYS 16 2HB LYS 16 6.517 -6.244 -0.474 100 HB3 LYS 16 3HB LYS 16 6.960 -6.993 1.075 101 HG2 LYS 16 2HG LYS 16 6.272 -9.212 0.015 102 HG3 LYS 16 3HG LYS 16 6.208 -8.418 -1.528 103 HD2 LYS 16 2HD LYS 16 8.750 -8.300 0.122 104 HD3 LYS 16 3HD LYS 16 8.303 -9.762 -0.764 105 HE2 LYS 16 2HE LYS 16 8.091 -8.367 -2.853 106 HE3 LYS 16 3HE LYS 16 8.803 -7.011 -1.962 107 HZ1 LYS 16 1HZ LYS 16 10.023 -9.684 -2.424 108 HZ2 LYS 16 2HZ LYS 16 10.534 -8.339 -3.139 109 HZ3 LYS 16 3HZ LYS 16 10.707 -8.623 -1.494 110 H CYS 17 H CYS 17 3.822 -6.610 2.919 111 HA CYS 17 HA CYS 17 2.800 -3.871 2.422 112 HB2 CYS 17 2HB CYS 17 1.710 -5.377 4.012 113 HB3 CYS 17 3HB CYS 17 3.207 -5.504 4.952 114 H THR 18 H THR 18 4.366 -2.337 1.982 115 HA THR 18 HA THR 18 6.914 -2.496 3.489 116 HB THR 18 HB THR 18 7.662 -0.786 1.937 117 HG1 THR 18 1HG THR 18 5.865 0.386 1.665 118 HG21 THR 18 1HG2 THR 18 7.569 -2.007 -0.168 119 HG22 THR 18 2HG2 THR 18 7.704 -3.192 1.139 120 HG23 THR 18 3HG2 THR 18 6.145 -2.910 0.344 121 H ILE 19 H ILE 19 4.182 -1.840 4.708 122 HA ILE 19 HA ILE 19 4.780 0.876 5.730 123 HB ILE 19 HB ILE 19 2.206 -0.705 5.958 124 HG12 ILE 19 2HG1 ILE 19 3.277 1.210 3.870 125 HG13 ILE 19 3HG1 ILE 19 2.364 -0.317 3.673 126 HG21 ILE 19 1HG2 ILE 19 3.071 2.125 6.553 127 HG22 ILE 19 2HG2 ILE 19 1.388 1.545 6.698 128 HG23 ILE 19 3HG2 ILE 19 2.632 0.913 7.763 129 HD11 ILE 19 1HD1 ILE 19 0.411 0.726 4.565 130 HD12 ILE 19 2HD1 ILE 19 1.279 2.299 4.642 131 HD13 ILE 19 3HD1 ILE 19 1.005 1.500 3.072 132 H CYS 20 H CYS 20 3.331 -2.190 6.931 133 HA CYS 20 HA CYS 20 4.452 -1.943 9.664 134 HB2 CYS 20 2HB CYS 20 3.293 -4.063 9.962 135 HB3 CYS 20 3HB CYS 20 2.205 -2.808 9.375 136 H LEU 21 H LEU 21 5.728 -2.861 6.656 137 HA LEU 21 HA LEU 21 7.525 -4.052 6.016 138 HB2 LEU 21 2HB LEU 21 8.313 -3.813 8.948 139 HB3 LEU 21 3HB LEU 21 9.390 -4.301 7.650 140 HG LEU 21 HG LEU 21 7.956 -1.609 7.600 141 HD11 LEU 21 1HD1 LEU 21 10.015 -0.636 8.554 142 HD12 LEU 21 2HD1 LEU 21 9.202 -1.720 9.694 143 HD13 LEU 21 3HD1 LEU 21 10.657 -2.274 8.835 144 HD21 LEU 21 1HD2 LEU 21 10.522 -2.624 6.300 145 HD22 LEU 21 2HD2 LEU 21 8.964 -2.393 5.472 146 HD23 LEU 21 3HD2 LEU 21 9.832 -0.996 6.126 147 H SER 22 H SER 22 5.568 -5.669 5.861 148 HA SER 22 HA SER 22 6.641 -8.186 6.922 149 HB2 SER 22 2HB SER 22 3.684 -7.670 7.281 150 HB3 SER 22 3HB SER 22 4.679 -8.947 7.980 151 HG SER 22 HG SER 22 5.755 -6.817 8.943 152 H ILE 23 H ILE 23 6.016 -9.965 5.652 153 HA ILE 23 HA ILE 23 5.077 -9.292 2.935 154 HB ILE 23 HB ILE 23 5.849 -12.007 4.036 155 HG12 ILE 23 2HG1 ILE 23 7.774 -10.687 4.608 156 HG13 ILE 23 3HG1 ILE 23 8.154 -11.621 3.174 157 HG21 ILE 23 1HG2 ILE 23 4.805 -12.067 1.859 158 HG22 ILE 23 2HG2 ILE 23 5.821 -10.789 1.254 159 HG23 ILE 23 3HG2 ILE 23 6.518 -12.379 1.639 160 HD11 ILE 23 1HD1 ILE 23 7.771 -9.633 1.757 161 HD12 ILE 23 2HD1 ILE 23 7.403 -8.657 3.196 162 HD13 ILE 23 3HD1 ILE 23 9.021 -9.340 2.972 163 H LEU 24 H LEU 24 3.269 -10.699 2.052 164 HA LEU 24 HA LEU 24 1.238 -11.137 4.155 165 HB2 LEU 24 2HB LEU 24 0.983 -10.496 1.196 166 HB3 LEU 24 3HB LEU 24 -0.356 -10.594 2.355 167 HG LEU 24 HG LEU 24 2.001 -8.629 2.590 168 HD11 LEU 24 1HD1 LEU 24 -0.718 -8.296 1.331 169 HD12 LEU 24 2HD1 LEU 24 0.507 -7.001 1.571 170 HD13 LEU 24 3HD1 LEU 24 0.835 -8.376 0.488 171 HD21 LEU 24 1HD2 LEU 24 0.683 -9.085 4.668 172 HD22 LEU 24 2HD2 LEU 24 0.565 -7.417 4.079 173 HD23 LEU 24 3HD2 LEU 24 -0.781 -8.556 3.797 174 H GLU 25 H GLU 25 0.996 -12.412 0.877 175 HA GLU 25 HA GLU 25 1.232 -14.378 -0.072 176 HB2 GLU 25 2HB GLU 25 2.362 -15.701 2.386 177 HB3 GLU 25 3HB GLU 25 2.579 -16.078 0.673 178 HG2 GLU 25 2HG GLU 25 3.862 -13.906 0.447 179 HG3 GLU 25 3HG GLU 25 3.754 -13.790 2.220 180 H GLU 26 H GLU 26 -0.586 -15.344 -0.528 181 HA GLU 26 HA GLU 26 -2.528 -16.363 -0.509 182 HB2 GLU 26 2HB GLU 26 -1.628 -17.544 2.128 183 HB3 GLU 26 3HB GLU 26 -3.149 -17.954 1.373 184 HG2 GLU 26 2HG GLU 26 -0.566 -18.219 -0.206 185 HG3 GLU 26 3HG GLU 26 -1.061 -19.461 0.945 186 H GLY 27 H GLY 27 -4.467 -15.569 -0.309 187 HA2 GLY 27 2HA GLY 27 -6.244 -14.249 0.444 188 HA3 GLY 27 3HA GLY 27 -5.717 -14.660 2.090 189 H GLU 28 H GLU 28 -3.878 -12.898 -0.425 190 HA GLU 28 HA GLU 28 -3.131 -10.921 1.514 191 HB2 GLU 28 2HB GLU 28 -2.672 -10.742 -1.456 192 HB3 GLU 28 3HB GLU 28 -1.772 -9.980 -0.164 193 HG2 GLU 28 2HG GLU 28 -0.313 -11.665 -0.534 194 HG3 GLU 28 3HG GLU 28 -1.337 -12.489 0.624 195 H ASP 29 H ASP 29 -4.415 -9.409 2.071 196 HA ASP 29 HA ASP 29 -6.285 -8.085 0.135 197 HB2 ASP 29 2HB ASP 29 -6.443 -8.616 3.080 198 HB3 ASP 29 3HB ASP 29 -7.089 -7.078 2.500 199 H VAL 30 H VAL 30 -5.125 -6.541 -0.834 200 HA VAL 30 HA VAL 30 -3.687 -4.619 0.904 201 HB VAL 30 HB VAL 30 -1.970 -4.322 -0.730 202 HG11 VAL 30 1HG1 VAL 30 -0.814 -6.450 -0.558 203 HG12 VAL 30 2HG1 VAL 30 -1.702 -6.150 0.944 204 HG13 VAL 30 3HG1 VAL 30 -2.335 -7.306 -0.243 205 HG21 VAL 30 1HG2 VAL 30 -1.732 -5.803 -2.705 206 HG22 VAL 30 2HG2 VAL 30 -3.349 -6.462 -2.402 207 HG23 VAL 30 3HG2 VAL 30 -3.145 -4.748 -2.836 208 H ARG 31 H ARG 31 -3.926 -2.404 0.354 209 HA ARG 31 HA ARG 31 -6.126 -1.941 -1.581 210 HB2 ARG 31 2HB ARG 31 -5.756 -0.799 0.801 211 HB3 ARG 31 3HB ARG 31 -4.636 0.224 -0.086 212 HG2 ARG 31 2HG ARG 31 -6.625 1.420 -0.212 213 HG3 ARG 31 3HG ARG 31 -6.686 0.542 -1.747 214 HD2 ARG 31 2HD ARG 31 -8.234 -1.084 -0.841 215 HD3 ARG 31 3HD ARG 31 -7.962 -0.538 0.812 216 HE ARG 31 HE ARG 31 -9.809 0.545 -1.091 217 HH11 ARG 31 1HH1 ARG 31 -10.651 3.341 0.888 218 HH12 ARG 31 2HH1 ARG 31 -11.103 2.388 -0.475 219 HH21 ARG 31 1HH2 ARG 31 -8.745 2.782 2.155 220 HH22 ARG 31 2HH2 ARG 31 -7.803 1.411 1.703 221 H ARG 32 H ARG 32 -5.337 -1.956 -3.698 222 HA ARG 32 HA ARG 32 -2.593 -1.457 -4.260 223 HB2 ARG 32 2HB ARG 32 -3.159 -1.340 -6.582 224 HB3 ARG 32 3HB ARG 32 -3.889 -2.747 -5.810 225 HG2 ARG 32 2HG ARG 32 -6.059 -1.915 -6.123 226 HG3 ARG 32 3HG ARG 32 -5.555 -0.242 -5.919 227 HD2 ARG 32 2HD ARG 32 -5.905 -0.089 -8.112 228 HD3 ARG 32 3HD ARG 32 -4.266 -0.662 -8.227 229 HE ARG 32 HE ARG 32 -4.982 -2.678 -9.073 230 HH11 ARG 32 1HH1 ARG 32 -8.260 -3.792 -9.789 231 HH12 ARG 32 2HH1 ARG 32 -6.581 -4.085 -10.039 232 HH21 ARG 32 1HH2 ARG 32 -8.954 -1.944 -8.473 233 HH22 ARG 32 2HH2 ARG 32 -7.749 -0.917 -7.780 234 H LEU 33 H LEU 33 -5.086 0.764 -3.636 235 HA LEU 33 HA LEU 33 -5.381 2.934 -3.816 236 HB2 LEU 33 2HB LEU 33 -2.389 3.189 -4.368 237 HB3 LEU 33 3HB LEU 33 -3.470 4.452 -3.861 238 HG LEU 33 HG LEU 33 -2.623 2.017 -2.245 239 HD11 LEU 33 1HD1 LEU 33 -1.674 3.676 -0.731 240 HD12 LEU 33 2HD1 LEU 33 -1.020 3.872 -2.369 241 HD13 LEU 33 3HD1 LEU 33 -2.257 4.988 -1.775 242 HD21 LEU 33 1HD2 LEU 33 -4.994 3.817 -1.880 243 HD22 LEU 33 2HD2 LEU 33 -4.728 2.147 -1.397 244 HD23 LEU 33 3HD2 LEU 33 -4.031 3.478 -0.452 245 HA PRO 34 HA PRO 34 -6.005 3.612 -8.123 246 HB2 PRO 34 2HB PRO 34 -6.435 6.327 -8.253 247 HB3 PRO 34 3HB PRO 34 -7.625 5.158 -7.600 248 HG2 PRO 34 2HG PRO 34 -5.641 6.855 -6.070 249 HG3 PRO 34 3HG PRO 34 -7.387 6.614 -5.729 250 HD2 PRO 34 2HD PRO 34 -5.467 5.210 -4.424 251 HD3 PRO 34 3HD PRO 34 -7.013 4.441 -4.878 252 H CYS 35 H CYS 35 -3.220 4.767 -6.405 253 HA CYS 35 HA CYS 35 -1.975 6.083 -8.796 254 HB2 CYS 35 2HB CYS 35 -0.392 6.794 -7.346 255 HB3 CYS 35 3HB CYS 35 -1.841 6.862 -6.334 256 H MET 36 H MET 36 -2.780 3.231 -8.850 257 HA MET 36 HA MET 36 -2.079 1.147 -8.995 258 HB2 MET 36 2HB MET 36 -0.175 2.532 -10.932 259 HB3 MET 36 3HB MET 36 -0.547 0.793 -10.920 260 HG2 MET 36 2HG MET 36 -3.008 1.440 -11.070 261 HG3 MET 36 3HG MET 36 -2.480 3.090 -11.411 262 HE1 MET 36 1HE MET 36 -3.933 1.527 -14.767 263 HE2 MET 36 2HE MET 36 -4.428 1.171 -13.097 264 HE3 MET 36 3HE MET 36 -4.105 2.850 -13.588 265 H HIS 37 H HIS 37 -1.401 0.752 -6.865 266 HA HIS 37 HA HIS 37 1.485 0.175 -6.712 267 HB2 HIS 37 1HB HIS 37 0.110 2.333 -5.320 268 HB3 HIS 37 2HB HIS 37 0.624 1.158 -4.130 269 HD2 HIS 37 2HD HIS 37 3.333 0.451 -4.192 270 HE1 HIS 37 1HE HIS 37 4.559 3.684 -6.670 271 HE2 HIS 37 2HE HIS 37 5.365 1.742 -5.216 272 H LEU 38 H LEU 38 1.553 -0.797 -4.112 273 HA LEU 38 HA LEU 38 -0.825 -2.267 -3.518 274 HB2 LEU 38 2HB LEU 38 -0.220 -4.383 -3.961 275 HB3 LEU 38 3HB LEU 38 0.744 -3.636 -5.202 276 HG LEU 38 HG LEU 38 2.595 -3.654 -3.151 277 HD11 LEU 38 1HD1 LEU 38 0.883 -6.127 -2.772 278 HD12 LEU 38 2HD1 LEU 38 2.369 -5.680 -1.894 279 HD13 LEU 38 3HD1 LEU 38 0.887 -4.751 -1.646 280 HD21 LEU 38 1HD2 LEU 38 1.878 -5.786 -5.150 281 HD22 LEU 38 2HD2 LEU 38 2.998 -4.433 -5.357 282 HD23 LEU 38 3HD2 LEU 38 3.394 -5.726 -4.212 283 H PHE 39 H PHE 39 -0.908 -2.473 -1.301 284 HA PHE 39 HA PHE 39 1.615 -2.235 0.213 285 HB2 PHE 39 2HB PHE 39 -0.672 -0.258 0.548 286 HB3 PHE 39 3HB PHE 39 0.599 -0.505 1.745 287 HD1 PHE 39 1HD PHE 39 -0.328 1.314 -1.218 288 HD2 PHE 39 2HD PHE 39 3.074 -0.201 0.957 289 HE1 PHE 39 1HE PHE 39 1.158 2.931 -2.390 290 HE2 PHE 39 2HE PHE 39 4.544 1.393 -0.236 291 HZ PHE 39 HZ PHE 39 3.588 2.966 -1.907 292 H HIS 40 H HIS 40 -1.525 -1.723 1.716 293 HA HIS 40 HA HIS 40 -1.968 -4.531 2.305 294 HB2 HIS 40 1HB HIS 40 -0.201 -3.354 3.948 295 HB3 HIS 40 2HB HIS 40 -1.653 -2.739 4.706 296 HD2 HIS 40 2HD HIS 40 -2.899 -6.036 3.879 297 HE1 HIS 40 1HE HIS 40 -0.473 -6.842 7.280 298 HE2 HIS 40 2HE HIS 40 -2.332 -7.737 5.760 299 H GLN 41 H GLN 41 -4.294 -4.625 3.391 300 HA GLN 41 HA GLN 41 -5.772 -2.262 2.558 301 HB2 GLN 41 2HB GLN 41 -6.518 -4.632 2.281 302 HB3 GLN 41 3HB GLN 41 -6.847 -4.699 4.016 303 HG2 GLN 41 2HG GLN 41 -8.012 -2.337 2.580 304 HG3 GLN 41 3HG GLN 41 -8.591 -3.894 2.008 305 HE21 GLN 41 1HE2 GLN 41 -8.429 -1.775 4.933 306 HE22 GLN 41 2HE2 GLN 41 -9.763 -2.621 5.709 307 H VAL 42 H VAL 42 -4.480 -3.491 5.599 308 HA VAL 42 HA VAL 42 -6.059 -1.556 7.160 309 HB VAL 42 HB VAL 42 -4.023 -3.648 8.024 310 HG11 VAL 42 1HG1 VAL 42 -5.988 -1.962 9.650 311 HG12 VAL 42 2HG1 VAL 42 -5.020 -3.310 10.283 312 HG13 VAL 42 3HG1 VAL 42 -4.215 -1.845 9.707 313 HG21 VAL 42 1HG2 VAL 42 -7.077 -3.634 8.037 314 HG22 VAL 42 2HG2 VAL 42 -6.043 -4.667 7.028 315 HG23 VAL 42 3HG2 VAL 42 -6.058 -4.881 8.782 316 H CYS 43 H CYS 43 -2.503 -2.289 6.973 317 HA CYS 43 HA CYS 43 -1.660 -0.061 8.413 318 HB2 CYS 43 2HB CYS 43 -0.140 -1.271 6.098 319 HB3 CYS 43 3HB CYS 43 0.495 -0.492 7.566 320 H VAL 44 H VAL 44 -2.297 -0.197 4.896 321 HA VAL 44 HA VAL 44 -1.316 2.252 4.102 322 HB VAL 44 HB VAL 44 -2.399 0.591 2.657 323 HG11 VAL 44 1HG1 VAL 44 -4.408 0.116 4.113 324 HG12 VAL 44 2HG1 VAL 44 -5.096 1.676 3.605 325 HG13 VAL 44 3HG1 VAL 44 -4.799 0.414 2.418 326 HG21 VAL 44 1HG2 VAL 44 -3.721 3.314 2.386 327 HG22 VAL 44 2HG2 VAL 44 -2.074 2.905 1.846 328 HG23 VAL 44 3HG2 VAL 44 -3.472 2.088 1.120 329 H ASP 45 H ASP 45 -4.381 1.573 5.853 330 HA ASP 45 HA ASP 45 -5.140 4.369 6.076 331 HB2 ASP 45 2HB ASP 45 -6.636 2.272 5.770 332 HB3 ASP 45 3HB ASP 45 -6.328 1.935 7.475 333 H GLN 46 H GLN 46 -2.539 3.653 7.164 334 HA GLN 46 HA GLN 46 -2.906 4.549 9.930 335 HB2 GLN 46 2HB GLN 46 -2.558 1.937 9.568 336 HB3 GLN 46 3HB GLN 46 -0.856 2.398 9.412 337 HG2 GLN 46 2HG GLN 46 -1.005 3.557 11.613 338 HG3 GLN 46 3HG GLN 46 -2.706 3.069 11.737 339 HE21 GLN 46 1HE2 GLN 46 -1.003 2.296 13.794 340 HE22 GLN 46 2HE2 GLN 46 -0.716 0.566 13.641 341 H ARG 47 H ARG 47 -0.239 3.540 7.684 342 HA ARG 47 HA ARG 47 1.386 5.793 8.387 343 HB2 ARG 47 2HB ARG 47 2.398 3.878 7.512 344 HB3 ARG 47 3HB ARG 47 1.476 3.983 5.988 345 HG2 ARG 47 2HG ARG 47 2.677 6.063 5.401 346 HG3 ARG 47 3HG ARG 47 3.543 6.011 6.951 347 HD2 ARG 47 2HD ARG 47 4.580 3.871 6.315 348 HD3 ARG 47 3HD ARG 47 3.688 3.850 4.792 349 HE ARG 47 HE ARG 47 6.071 5.352 5.481 350 HH11 ARG 47 1HH1 ARG 47 6.309 6.909 2.331 351 HH12 ARG 47 2HH1 ARG 47 7.122 6.562 3.810 352 HH21 ARG 47 1HH2 ARG 47 4.086 6.131 2.005 353 HH22 ARG 47 2HH2 ARG 47 3.319 5.244 3.274 354 H LEU 48 H LEU 48 -1.173 5.426 5.897 355 HA LEU 48 HA LEU 48 -0.421 8.113 4.890 356 HB2 LEU 48 2HB LEU 48 -2.447 6.123 3.810 357 HB3 LEU 48 3HB LEU 48 -2.069 7.677 3.124 358 HG LEU 48 HG LEU 48 -1.019 6.034 1.816 359 HD11 LEU 48 1HD1 LEU 48 0.230 8.126 2.120 360 HD12 LEU 48 2HD1 LEU 48 1.138 7.401 3.475 361 HD13 LEU 48 3HD1 LEU 48 1.306 6.756 1.825 362 HD21 LEU 48 1HD2 LEU 48 0.948 5.062 3.836 363 HD22 LEU 48 2HD2 LEU 48 -0.683 4.394 3.907 364 HD23 LEU 48 3HD2 LEU 48 0.243 4.257 2.416 365 H ILE 49 H ILE 49 -1.922 7.439 7.652 366 HA ILE 49 HA ILE 49 -4.507 8.582 7.383 367 HB ILE 49 HB ILE 49 -2.511 8.595 9.679 368 HG12 ILE 49 2HG1 ILE 49 -5.230 7.240 9.464 369 HG13 ILE 49 3HG1 ILE 49 -3.755 6.472 8.891 370 HG21 ILE 49 1HG2 ILE 49 -4.586 9.360 11.055 371 HG22 ILE 49 2HG2 ILE 49 -3.781 10.589 10.093 372 HG23 ILE 49 3HG2 ILE 49 -5.286 9.841 9.509 373 HD11 ILE 49 1HD1 ILE 49 -4.281 5.722 11.173 374 HD12 ILE 49 2HD1 ILE 49 -2.758 6.639 11.167 375 HD13 ILE 49 3HD1 ILE 49 -4.252 7.376 11.772 376 H THR 50 H THR 50 -1.392 10.224 8.159 377 HA THR 50 HA THR 50 -2.713 12.822 7.689 378 HB THR 50 HB THR 50 -1.285 12.553 9.627 379 HG1 THR 50 1HG THR 50 -0.200 14.267 7.668 380 HG21 THR 50 1HG2 THR 50 1.026 12.075 7.697 381 HG22 THR 50 2HG2 THR 50 1.170 12.406 9.431 382 HG23 THR 50 3HG2 THR 50 0.381 10.923 8.888 383 H ASN 51 H ASN 51 -2.635 11.126 5.306 384 HA ASN 51 HA ASN 51 -1.130 12.896 3.579 385 HB2 ASN 51 2HB ASN 51 0.474 11.028 4.519 386 HB3 ASN 51 3HB ASN 51 -0.427 9.947 3.442 387 HD21 ASN 51 1HD2 ASN 51 2.126 9.999 2.778 388 HD22 ASN 51 2HD2 ASN 51 2.445 11.117 1.459 389 H LYS 52 H LYS 52 -1.496 11.983 1.167 390 HA LYS 52 HA LYS 52 -3.684 10.132 0.767 391 HB2 LYS 52 2HB LYS 52 -5.367 11.792 -0.063 392 HB3 LYS 52 3HB LYS 52 -5.112 11.836 1.660 393 HG2 LYS 52 2HG LYS 52 -3.268 13.747 0.813 394 HG3 LYS 52 3HG LYS 52 -4.538 13.904 -0.403 395 HD2 LYS 52 2HD LYS 52 -6.211 14.279 1.304 396 HD3 LYS 52 3HD LYS 52 -5.061 13.890 2.604 397 HE2 LYS 52 2HE LYS 52 -3.856 15.856 2.365 398 HE3 LYS 52 3HE LYS 52 -4.275 16.032 0.654 399 HZ1 LYS 52 1HZ LYS 52 -5.390 17.661 2.034 400 HZ2 LYS 52 2HZ LYS 52 -6.474 16.679 1.280 401 HZ3 LYS 52 3HZ LYS 52 -6.156 16.470 2.882 402 H LYS 53 H LYS 53 -1.281 10.030 -0.448 403 HA LYS 53 HA LYS 53 -1.711 10.640 -3.213 404 HB2 LYS 53 2HB LYS 53 0.219 12.213 -3.506 405 HB3 LYS 53 3HB LYS 53 -1.159 12.908 -2.647 406 HG2 LYS 53 2HG LYS 53 -0.023 12.336 -0.486 407 HG3 LYS 53 3HG LYS 53 1.429 11.886 -1.379 408 HD2 LYS 53 2HD LYS 53 0.134 14.612 -1.733 409 HD3 LYS 53 3HD LYS 53 1.122 14.266 -0.303 410 HE2 LYS 53 2HE LYS 53 3.008 13.578 -1.755 411 HE3 LYS 53 3HE LYS 53 2.054 13.999 -3.191 412 HZ1 LYS 53 1HZ LYS 53 1.973 16.263 -2.402 413 HZ2 LYS 53 2HZ LYS 53 2.796 15.876 -1.031 414 HZ3 LYS 53 3HZ LYS 53 3.547 15.783 -2.492 415 H CYS 54 H CYS 54 0.241 9.996 -4.491 416 HA CYS 54 HA CYS 54 1.576 7.588 -3.258 417 HB2 CYS 54 2HB CYS 54 0.052 7.711 -5.311 418 HB3 CYS 54 3HB CYS 54 1.396 8.472 -6.133 419 HA PRO 55 HA PRO 55 4.974 10.691 -3.473 420 HB2 PRO 55 2HB PRO 55 6.440 9.938 -1.318 421 HB3 PRO 55 3HB PRO 55 4.862 10.756 -1.123 422 HG2 PRO 55 2HG PRO 55 5.396 7.760 -1.046 423 HG3 PRO 55 3HG PRO 55 4.530 8.758 0.168 424 HD2 PRO 55 2HD PRO 55 3.207 7.397 -1.794 425 HD3 PRO 55 3HD PRO 55 2.664 9.007 -1.223 426 H ILE 56 H ILE 56 5.118 9.231 -5.481 427 HA ILE 56 HA ILE 56 7.615 8.258 -6.057 428 HB ILE 56 HB ILE 56 7.467 6.426 -4.566 429 HG12 ILE 56 2HG1 ILE 56 6.690 5.173 -7.205 430 HG13 ILE 56 3HG1 ILE 56 8.204 6.067 -7.000 431 HG21 ILE 56 1HG2 ILE 56 5.028 6.379 -4.122 432 HG22 ILE 56 2HG2 ILE 56 4.752 5.724 -5.741 433 HG23 ILE 56 3HG2 ILE 56 5.633 4.780 -4.523 434 HD11 ILE 56 1HD1 ILE 56 8.892 4.579 -5.167 435 HD12 ILE 56 2HD1 ILE 56 7.388 3.643 -5.341 436 HD13 ILE 56 3HD1 ILE 56 8.574 3.672 -6.658 437 H CYS 57 H CYS 57 4.053 7.784 -6.562 438 HA CYS 57 HA CYS 57 4.418 7.925 -9.543 439 HB2 CYS 57 2HB CYS 57 1.823 7.629 -8.038 440 HB3 CYS 57 3HB CYS 57 2.257 7.096 -9.667 441 H ARG 58 H ARG 58 1.704 9.205 -9.357 442 HA ARG 58 HA ARG 58 2.108 11.762 -8.096 443 HB2 ARG 58 2HB ARG 58 3.222 11.384 -10.732 444 HB3 ARG 58 3HB ARG 58 1.862 12.451 -10.942 445 HG2 ARG 58 2HG ARG 58 3.521 13.190 -8.593 446 HG3 ARG 58 3HG ARG 58 4.427 13.157 -10.104 447 HD2 ARG 58 2HD ARG 58 2.918 14.681 -11.168 448 HD3 ARG 58 3HD ARG 58 1.756 14.581 -9.826 449 HE ARG 58 HE ARG 58 4.092 15.436 -8.648 450 HH11 ARG 58 1HH1 ARG 58 3.789 18.912 -9.185 451 HH12 ARG 58 2HH1 ARG 58 4.502 17.685 -8.204 452 HH21 ARG 58 1HH2 ARG 58 2.374 18.299 -10.996 453 HH22 ARG 58 2HH2 ARG 58 2.070 16.622 -11.278 454 H VAL 59 H VAL 59 0.164 10.288 -7.404 455 HA VAL 59 HA VAL 59 -2.249 11.375 -8.686 456 HB VAL 59 HB VAL 59 -1.593 8.435 -8.299 457 HG11 VAL 59 1HG1 VAL 59 -3.805 8.663 -7.336 458 HG12 VAL 59 2HG1 VAL 59 -4.351 9.655 -8.709 459 HG13 VAL 59 3HG1 VAL 59 -3.961 7.938 -8.931 460 HG21 VAL 59 1HG2 VAL 59 -2.627 10.022 -10.679 461 HG22 VAL 59 2HG2 VAL 59 -1.004 9.324 -10.500 462 HG23 VAL 59 3HG2 VAL 59 -2.404 8.260 -10.646 463 H ASP 60 H ASP 60 -3.954 11.575 -7.176 464 HA ASP 60 HA ASP 60 -3.140 11.544 -4.344 465 HB2 ASP 60 2HB ASP 60 -5.455 12.781 -5.858 466 HB3 ASP 60 3HB ASP 60 -5.392 12.698 -4.094 467 H ILE 61 H ILE 61 -4.139 10.185 -2.859 468 HA ILE 61 HA ILE 61 -5.394 7.815 -3.992 469 HB ILE 61 HB ILE 61 -4.537 8.435 -1.144 470 HG12 ILE 61 2HG1 ILE 61 -2.567 8.815 -2.298 471 HG13 ILE 61 3HG1 ILE 61 -2.417 7.188 -1.709 472 HG21 ILE 61 1HG2 ILE 61 -4.253 6.075 -0.901 473 HG22 ILE 61 2HG2 ILE 61 -5.901 6.375 -1.490 474 HG23 ILE 61 3HG2 ILE 61 -4.650 5.800 -2.616 475 HD11 ILE 61 1HD1 ILE 61 -3.338 6.603 -4.146 476 HD12 ILE 61 2HD1 ILE 61 -2.805 8.246 -4.500 477 HD13 ILE 61 3HD1 ILE 61 -1.635 7.054 -3.894 478 H GLU 62 H GLU 62 -6.227 10.632 -2.034 479 HA GLU 62 HA GLU 62 -8.999 9.652 -1.804 480 HB2 GLU 62 2HB GLU 62 -7.793 9.205 0.370 481 HB3 GLU 62 3HB GLU 62 -7.480 10.940 0.515 482 HG2 GLU 62 2HG GLU 62 -9.826 11.456 0.644 483 HG3 GLU 62 3HG GLU 62 -10.285 9.838 0.103 484 H ALA 63 H ALA 63 -10.530 11.432 -1.859 485 HA ALA 63 HA ALA 63 -9.410 14.085 -2.548 486 HB1 ALA 63 1HB ALA 63 -9.362 12.717 -4.625 487 HB2 ALA 63 2HB ALA 63 -11.086 12.331 -4.408 488 HB3 ALA 63 3HB ALA 63 -10.579 14.004 -4.728 489 H GLN 64 H GLN 64 -10.944 13.257 -0.214 490 HA GLN 64 HA GLN 64 -13.428 14.717 -0.753 491 HB2 GLN 64 2HB GLN 64 -13.482 12.052 -0.972 492 HB3 GLN 64 3HB GLN 64 -13.603 12.108 0.778 493 HG2 GLN 64 2HG GLN 64 -15.726 13.024 0.741 494 HG3 GLN 64 3HG GLN 64 -15.441 13.940 -0.742 495 HE21 GLN 64 1HE2 GLN 64 -17.882 12.543 -0.363 496 HE22 GLN 64 2HE2 GLN 64 -17.872 11.251 -1.558 497 H LEU 65 H LEU 65 -13.902 16.062 1.012 498 HA LEU 65 HA LEU 65 -11.983 16.220 3.158 499 HB2 LEU 65 2HB LEU 65 -14.493 17.705 2.442 500 HB3 LEU 65 3HB LEU 65 -14.092 17.612 4.155 501 HG LEU 65 HG LEU 65 -11.708 18.366 3.501 502 HD11 LEU 65 1HD1 LEU 65 -11.982 18.081 1.038 503 HD12 LEU 65 2HD1 LEU 65 -13.251 19.329 1.048 504 HD13 LEU 65 3HD1 LEU 65 -11.580 19.752 1.474 505 HD21 LEU 65 1HD2 LEU 65 -12.400 20.732 3.601 506 HD22 LEU 65 2HD2 LEU 65 -14.082 20.258 3.266 507 HD23 LEU 65 3HD2 LEU 65 -13.284 19.740 4.768 508 HA PRO 66 HA PRO 66 -15.182 14.252 6.001 509 HB2 PRO 66 2HB PRO 66 -17.427 13.004 5.041 510 HB3 PRO 66 3HB PRO 66 -17.372 14.755 5.421 511 HG2 PRO 66 2HG PRO 66 -17.052 13.423 2.720 512 HG3 PRO 66 3HG PRO 66 -18.066 14.838 3.143 513 HD2 PRO 66 2HD PRO 66 -15.602 15.096 2.022 514 HD3 PRO 66 3HD PRO 66 -16.197 16.268 3.235 515 H SER 67 H SER 67 -14.061 12.488 6.608 516 HA SER 67 HA SER 67 -14.077 10.062 4.926 517 HB2 SER 67 2HB SER 67 -12.131 11.386 4.130 518 HB3 SER 67 3HB SER 67 -11.470 11.400 5.776 519 HG SER 67 HG SER 67 -10.740 9.699 4.257 520 H GLU 68 H GLU 68 -12.317 11.392 7.841 521 HA GLU 68 HA GLU 68 -13.714 9.314 9.442 522 HB2 GLU 68 2HB GLU 68 -11.352 8.686 9.088 523 HB3 GLU 68 3HB GLU 68 -10.835 10.238 9.775 524 HG2 GLU 68 2HG GLU 68 -11.968 9.661 11.916 525 HG3 GLU 68 3HG GLU 68 -12.569 8.164 11.200 526 H SER 69 H SER 69 -15.264 10.583 10.252 527 HA SER 69 HA SER 69 -16.395 12.344 11.052 528 HB2 SER 69 2HB SER 69 -15.353 13.482 13.115 529 HB3 SER 69 3HB SER 69 -15.754 11.761 13.200 530 HG SER 69 HG SER 69 -13.199 12.552 12.390 Start of MODEL 21 1 H1 MET 1 H1 MET 1 1.008 -24.059 15.324 2 H2 MET 1 H2 MET 1 2.370 -24.928 15.651 3 H3 MET 1 H3 MET 1 1.928 -24.645 14.093 4 HA MET 1 HA MET 1 1.395 -26.910 14.712 5 HB2 MET 1 2HB MET 1 -0.317 -25.500 16.795 6 HB3 MET 1 3HB MET 1 -0.431 -27.222 16.400 7 HG2 MET 1 2HG MET 1 1.801 -27.646 17.160 8 HG3 MET 1 3HG MET 1 2.148 -25.927 17.360 9 HE1 MET 1 1HE MET 1 -0.246 -24.621 18.891 10 HE2 MET 1 2HE MET 1 0.302 -24.879 20.559 11 HE3 MET 1 3HE MET 1 1.479 -24.445 19.303 12 H LYS 2 H LYS 2 0.824 -26.167 12.392 13 HA LYS 2 HA LYS 2 -1.985 -26.481 12.034 14 HB2 LYS 2 2HB LYS 2 -2.017 -24.038 12.549 15 HB3 LYS 2 3HB LYS 2 -0.777 -23.759 11.347 16 HG2 LYS 2 2HG LYS 2 -2.675 -23.101 10.246 17 HG3 LYS 2 3HG LYS 2 -2.495 -24.724 9.609 18 HD2 LYS 2 2HD LYS 2 -4.255 -24.077 12.011 19 HD3 LYS 2 3HD LYS 2 -4.841 -23.894 10.366 20 HE2 LYS 2 2HE LYS 2 -3.762 -26.534 11.437 21 HE3 LYS 2 3HE LYS 2 -5.455 -26.053 11.546 22 HZ1 LYS 2 1HZ LYS 2 -5.060 -27.400 9.618 23 HZ2 LYS 2 2HZ LYS 2 -5.513 -25.892 9.150 24 HZ3 LYS 2 3HZ LYS 2 -3.933 -26.361 9.036 25 H GLN 3 H GLN 3 0.681 -24.809 10.321 26 HA GLN 3 HA GLN 3 1.235 -27.073 8.625 27 HB2 GLN 3 2HB GLN 3 -0.644 -25.656 7.511 28 HB3 GLN 3 3HB GLN 3 0.542 -24.358 7.387 29 HG2 GLN 3 2HG GLN 3 0.308 -25.650 5.291 30 HG3 GLN 3 3HG GLN 3 1.948 -25.757 5.918 31 HE21 GLN 3 1HE2 GLN 3 2.694 -27.885 5.422 32 HE22 GLN 3 2HE2 GLN 3 1.718 -29.296 5.793 33 H ASP 4 H ASP 4 3.340 -26.346 7.332 34 HA ASP 4 HA ASP 4 5.056 -24.704 9.073 35 HB2 ASP 4 2HB ASP 4 5.881 -26.806 8.037 36 HB3 ASP 4 3HB ASP 4 5.636 -26.120 6.433 37 H GLY 5 H GLY 5 4.533 -24.736 5.563 38 HA2 GLY 5 2HA GLY 5 3.095 -22.501 5.011 39 HA3 GLY 5 3HA GLY 5 4.748 -21.879 5.284 40 H GLU 6 H GLU 6 5.060 -21.398 2.974 41 HA GLU 6 HA GLU 6 6.184 -23.721 1.681 42 HB2 GLU 6 2HB GLU 6 5.224 -23.202 -0.524 43 HB3 GLU 6 3HB GLU 6 4.001 -23.728 0.629 44 HG2 GLU 6 2HG GLU 6 3.390 -21.289 0.993 45 HG3 GLU 6 3HG GLU 6 4.501 -20.877 -0.323 46 H GLU 7 H GLU 7 8.057 -23.030 0.441 47 HA GLU 7 HA GLU 7 8.906 -20.272 1.058 48 HB2 GLU 7 2HB GLU 7 10.261 -22.748 -0.058 49 HB3 GLU 7 3HB GLU 7 10.942 -21.140 -0.361 50 HG2 GLU 7 2HG GLU 7 10.973 -20.671 2.070 51 HG3 GLU 7 3HG GLU 7 10.359 -22.298 2.394 52 H GLY 8 H GLY 8 9.006 -18.702 -0.465 53 HA2 GLY 8 2HA GLY 8 7.674 -19.157 -3.050 54 HA3 GLY 8 3HA GLY 8 8.206 -17.605 -2.373 55 H THR 9 H THR 9 9.808 -16.722 -3.688 56 HA THR 9 HA THR 9 12.155 -18.236 -4.288 57 HB THR 9 HB THR 9 10.608 -19.203 -5.954 58 HG1 THR 9 1HG THR 9 12.668 -19.154 -6.585 59 HG21 THR 9 1HG2 THR 9 9.685 -17.950 -7.763 60 HG22 THR 9 2HG2 THR 9 9.146 -17.185 -6.256 61 HG23 THR 9 3HG2 THR 9 10.444 -16.446 -7.219 62 H GLU 10 H GLU 10 12.668 -16.401 -6.631 63 HA GLU 10 HA GLU 10 13.996 -14.298 -5.487 64 HB2 GLU 10 2HB GLU 10 13.738 -15.190 -7.986 65 HB3 GLU 10 3HB GLU 10 12.520 -13.931 -8.116 66 HG2 GLU 10 2HG GLU 10 14.508 -12.921 -8.871 67 HG3 GLU 10 3HG GLU 10 14.336 -12.310 -7.220 68 H GLU 11 H GLU 11 10.708 -14.151 -6.831 69 HA GLU 11 HA GLU 11 8.875 -12.932 -6.400 70 HB2 GLU 11 2HB GLU 11 9.535 -13.770 -4.064 71 HB3 GLU 11 3HB GLU 11 10.093 -12.132 -3.741 72 HG2 GLU 11 2HG GLU 11 7.359 -12.235 -4.888 73 HG3 GLU 11 3HG GLU 11 7.515 -13.148 -3.382 74 H ASP 12 H ASP 12 8.043 -10.546 -6.041 75 HA ASP 12 HA ASP 12 9.922 -8.476 -5.985 76 HB2 ASP 12 2HB ASP 12 10.433 -9.093 -8.354 77 HB3 ASP 12 3HB ASP 12 8.736 -8.845 -8.769 78 H THR 13 H THR 13 8.612 -7.445 -4.610 79 HA THR 13 HA THR 13 6.754 -6.514 -3.654 80 HB THR 13 HB THR 13 6.482 -5.336 -6.442 81 HG1 THR 13 1HG THR 13 8.628 -5.330 -6.000 82 HG21 THR 13 1HG2 THR 13 4.878 -4.415 -4.819 83 HG22 THR 13 2HG2 THR 13 6.172 -4.203 -3.616 84 HG23 THR 13 3HG2 THR 13 6.161 -3.230 -5.102 85 H GLU 14 H GLU 14 6.103 -9.070 -4.233 86 HA GLU 14 HA GLU 14 3.589 -9.184 -5.713 87 HB2 GLU 14 2HB GLU 14 5.542 -10.913 -5.607 88 HB3 GLU 14 3HB GLU 14 4.876 -11.360 -4.037 89 HG2 GLU 14 2HG GLU 14 3.868 -12.885 -5.518 90 HG3 GLU 14 3HG GLU 14 2.613 -11.657 -5.329 91 H GLU 15 H GLU 15 4.684 -9.828 -2.299 92 HA GLU 15 HA GLU 15 2.018 -9.017 -1.296 93 HB2 GLU 15 2HB GLU 15 1.812 -11.175 -0.119 94 HB3 GLU 15 3HB GLU 15 1.804 -11.359 -1.867 95 HG2 GLU 15 2HG GLU 15 4.504 -11.704 -1.267 96 HG3 GLU 15 3HG GLU 15 3.720 -12.372 0.157 97 H LYS 16 H LYS 16 4.068 -7.415 -0.990 98 HA LYS 16 HA LYS 16 5.155 -7.945 1.769 99 HB2 LYS 16 2HB LYS 16 6.525 -6.419 -0.483 100 HB3 LYS 16 3HB LYS 16 7.161 -6.775 1.132 101 HG2 LYS 16 2HG LYS 16 6.773 -9.245 0.539 102 HG3 LYS 16 3HG LYS 16 6.545 -8.757 -1.108 103 HD2 LYS 16 2HD LYS 16 9.066 -7.869 0.340 104 HD3 LYS 16 3HD LYS 16 8.885 -9.552 -0.156 105 HE2 LYS 16 2HE LYS 16 8.072 -8.381 -2.435 106 HE3 LYS 16 3HE LYS 16 9.158 -7.099 -1.879 107 HZ1 LYS 16 1HZ LYS 16 10.168 -8.885 -3.291 108 HZ2 LYS 16 2HZ LYS 16 10.919 -8.792 -1.802 109 HZ3 LYS 16 3HZ LYS 16 9.806 -9.960 -2.141 110 H CYS 17 H CYS 17 4.300 -6.625 3.184 111 HA CYS 17 HA CYS 17 2.884 -4.075 2.690 112 HB2 CYS 17 2HB CYS 17 2.685 -6.042 4.516 113 HB3 CYS 17 3HB CYS 17 3.884 -5.089 5.351 114 H THR 18 H THR 18 4.333 -2.416 1.884 115 HA THR 18 HA THR 18 6.994 -2.308 3.233 116 HB THR 18 HB THR 18 7.576 -0.699 1.512 117 HG1 THR 18 1HG THR 18 5.802 0.330 0.973 118 HG21 THR 18 1HG2 THR 18 7.788 -3.167 1.040 119 HG22 THR 18 2HG2 THR 18 6.202 -3.110 0.237 120 HG23 THR 18 3HG2 THR 18 7.558 -2.177 -0.414 121 H ILE 19 H ILE 19 3.891 -1.237 3.754 122 HA ILE 19 HA ILE 19 4.447 1.449 4.757 123 HB ILE 19 HB ILE 19 2.133 -0.426 5.119 124 HG12 ILE 19 2HG1 ILE 19 2.944 1.213 2.791 125 HG13 ILE 19 3HG1 ILE 19 1.969 -0.274 2.899 126 HG21 ILE 19 1HG2 ILE 19 1.135 2.106 5.423 127 HG22 ILE 19 2HG2 ILE 19 1.589 0.995 6.703 128 HG23 ILE 19 3HG2 ILE 19 2.753 2.201 6.175 129 HD11 ILE 19 1HD1 ILE 19 1.025 2.511 3.269 130 HD12 ILE 19 2HD1 ILE 19 0.690 1.387 1.951 131 HD13 ILE 19 3HD1 ILE 19 0.056 1.021 3.558 132 H CYS 20 H CYS 20 3.394 -1.724 5.939 133 HA CYS 20 HA CYS 20 4.059 -1.281 8.799 134 HB2 CYS 20 2HB CYS 20 2.865 -3.644 8.654 135 HB3 CYS 20 3HB CYS 20 1.966 -2.135 8.691 136 H LEU 21 H LEU 21 5.903 -2.001 6.239 137 HA LEU 21 HA LEU 21 7.761 -3.237 5.846 138 HB2 LEU 21 2HB LEU 21 8.124 -2.424 8.748 139 HB3 LEU 21 3HB LEU 21 9.433 -2.883 7.657 140 HG LEU 21 HG LEU 21 7.567 -0.521 7.137 141 HD11 LEU 21 1HD1 LEU 21 10.356 -0.551 8.356 142 HD12 LEU 21 2HD1 LEU 21 9.422 0.895 7.904 143 HD13 LEU 21 3HD1 LEU 21 8.843 -0.159 9.203 144 HD21 LEU 21 1HD2 LEU 21 10.259 -1.301 5.925 145 HD22 LEU 21 2HD2 LEU 21 8.681 -1.391 5.103 146 HD23 LEU 21 3HD2 LEU 21 9.338 0.177 5.565 147 H SER 22 H SER 22 6.007 -5.152 5.918 148 HA SER 22 HA SER 22 7.478 -7.362 7.112 149 HB2 SER 22 2HB SER 22 5.160 -8.261 7.995 150 HB3 SER 22 3HB SER 22 6.144 -7.188 8.995 151 HG SER 22 HG SER 22 4.875 -5.473 8.412 152 H ILE 23 H ILE 23 6.882 -9.376 6.160 153 HA ILE 23 HA ILE 23 5.724 -9.068 3.466 154 HB ILE 23 HB ILE 23 6.785 -11.585 4.777 155 HG12 ILE 23 2HG1 ILE 23 8.689 -10.227 4.994 156 HG13 ILE 23 3HG1 ILE 23 8.927 -11.098 3.490 157 HG21 ILE 23 1HG2 ILE 23 5.532 -12.001 2.789 158 HG22 ILE 23 2HG2 ILE 23 6.296 -10.707 1.909 159 HG23 ILE 23 3HG2 ILE 23 7.221 -12.165 2.343 160 HD11 ILE 23 1HD1 ILE 23 8.242 -8.161 3.866 161 HD12 ILE 23 2HD1 ILE 23 9.604 -8.889 3.013 162 HD13 ILE 23 3HD1 ILE 23 7.975 -8.985 2.324 163 H LEU 24 H LEU 24 3.908 -10.602 2.888 164 HA LEU 24 HA LEU 24 2.058 -10.844 5.166 165 HB2 LEU 24 2HB LEU 24 1.666 -10.358 2.192 166 HB3 LEU 24 3HB LEU 24 0.374 -10.425 3.414 167 HG LEU 24 HG LEU 24 2.689 -8.419 3.425 168 HD11 LEU 24 1HD1 LEU 24 1.262 -8.257 1.427 169 HD12 LEU 24 2HD1 LEU 24 -0.150 -8.000 2.456 170 HD13 LEU 24 3HD1 LEU 24 1.194 -6.818 2.451 171 HD21 LEU 24 1HD2 LEU 24 0.155 -8.818 5.040 172 HD22 LEU 24 2HD2 LEU 24 1.837 -8.667 5.610 173 HD23 LEU 24 3HD2 LEU 24 0.979 -7.251 4.959 174 H GLU 25 H GLU 25 1.354 -12.293 2.033 175 HA GLU 25 HA GLU 25 1.984 -14.223 1.070 176 HB2 GLU 25 2HB GLU 25 2.849 -15.423 3.706 177 HB3 GLU 25 3HB GLU 25 3.165 -15.991 2.062 178 HG2 GLU 25 2HG GLU 25 4.504 -13.872 1.691 179 HG3 GLU 25 3HG GLU 25 4.386 -13.615 3.445 180 H GLU 26 H GLU 26 -0.587 -13.538 1.627 181 HA GLU 26 HA GLU 26 -1.788 -16.138 2.055 182 HB2 GLU 26 2HB GLU 26 -1.402 -14.714 4.394 183 HB3 GLU 26 3HB GLU 26 -3.004 -14.152 3.919 184 HG2 GLU 26 2HG GLU 26 -3.598 -16.651 3.585 185 HG3 GLU 26 3HG GLU 26 -2.055 -17.025 4.348 186 H GLY 27 H GLY 27 -4.475 -15.199 2.520 187 HA2 GLY 27 2HA GLY 27 -5.051 -14.156 -0.181 188 HA3 GLY 27 3HA GLY 27 -6.223 -14.693 1.043 189 H GLU 28 H GLU 28 -3.592 -12.239 0.825 190 HA GLU 28 HA GLU 28 -4.697 -10.462 2.677 191 HB2 GLU 28 2HB GLU 28 -3.057 -9.868 0.215 192 HB3 GLU 28 3HB GLU 28 -3.271 -8.727 1.546 193 HG2 GLU 28 2HG GLU 28 -1.761 -9.751 2.861 194 HG3 GLU 28 3HG GLU 28 -2.311 -11.373 2.448 195 H ASP 29 H ASP 29 -6.139 -8.874 2.668 196 HA ASP 29 HA ASP 29 -7.688 -8.049 0.303 197 HB2 ASP 29 2HB ASP 29 -7.424 -7.142 3.182 198 HB3 ASP 29 3HB ASP 29 -8.079 -6.037 1.957 199 H VAL 30 H VAL 30 -6.044 -7.432 -1.208 200 HA VAL 30 HA VAL 30 -4.085 -5.414 -0.333 201 HB VAL 30 HB VAL 30 -3.320 -5.448 -2.674 202 HG11 VAL 30 1HG1 VAL 30 -2.273 -7.699 -2.442 203 HG12 VAL 30 2HG1 VAL 30 -2.308 -6.834 -0.893 204 HG13 VAL 30 3HG1 VAL 30 -3.478 -8.128 -1.224 205 HG21 VAL 30 1HG2 VAL 30 -5.196 -7.843 -3.022 206 HG22 VAL 30 2HG2 VAL 30 -5.363 -6.285 -3.864 207 HG23 VAL 30 3HG2 VAL 30 -3.952 -7.305 -4.155 208 H ARG 31 H ARG 31 -4.672 -3.352 -0.108 209 HA ARG 31 HA ARG 31 -7.093 -2.463 -1.625 210 HB2 ARG 31 2HB ARG 31 -6.993 -2.295 0.919 211 HB3 ARG 31 3HB ARG 31 -5.853 -0.962 0.700 212 HG2 ARG 31 2HG ARG 31 -7.645 0.074 -0.882 213 HG3 ARG 31 3HG ARG 31 -8.723 -1.199 -0.283 214 HD2 ARG 31 2HD ARG 31 -7.978 -0.290 2.092 215 HD3 ARG 31 3HD ARG 31 -7.519 1.154 1.186 216 HE ARG 31 HE ARG 31 -10.112 0.484 0.380 217 HH11 ARG 31 1HH1 ARG 31 -11.931 2.161 2.882 218 HH12 ARG 31 2HH1 ARG 31 -12.004 1.440 1.313 219 HH21 ARG 31 1HH2 ARG 31 -9.836 2.183 4.117 220 HH22 ARG 31 2HH2 ARG 31 -8.502 1.415 3.397 221 H ARG 32 H ARG 32 -5.656 -2.455 -3.536 222 HA ARG 32 HA ARG 32 -3.502 -0.571 -3.700 223 HB2 ARG 32 2HB ARG 32 -3.538 -0.979 -6.113 224 HB3 ARG 32 3HB ARG 32 -3.648 -2.475 -5.194 225 HG2 ARG 32 2HG ARG 32 -5.274 -2.958 -6.673 226 HG3 ARG 32 3HG ARG 32 -6.307 -2.063 -5.566 227 HD2 ARG 32 2HD ARG 32 -6.081 -0.030 -6.939 228 HD3 ARG 32 3HD ARG 32 -4.921 -0.830 -7.998 229 HE ARG 32 HE ARG 32 -7.797 -1.040 -8.014 230 HH11 ARG 32 1HH1 ARG 32 -7.893 -3.649 -10.398 231 HH12 ARG 32 2HH1 ARG 32 -8.822 -2.464 -9.555 232 HH21 ARG 32 1HH2 ARG 32 -5.568 -3.847 -9.978 233 HH22 ARG 32 2HH2 ARG 32 -4.837 -2.777 -8.837 234 H LEU 33 H LEU 33 -3.400 1.553 -4.362 235 HA LEU 33 HA LEU 33 -5.848 3.061 -4.106 236 HB2 LEU 33 2HB LEU 33 -3.123 4.211 -4.507 237 HB3 LEU 33 3HB LEU 33 -4.473 4.662 -3.457 238 HG LEU 33 HG LEU 33 -2.774 2.262 -2.770 239 HD11 LEU 33 1HD1 LEU 33 -2.209 5.170 -2.171 240 HD12 LEU 33 2HD1 LEU 33 -1.508 3.801 -1.298 241 HD13 LEU 33 3HD1 LEU 33 -1.191 4.013 -3.034 242 HD21 LEU 33 1HD2 LEU 33 -3.579 2.736 -0.534 243 HD22 LEU 33 2HD2 LEU 33 -4.432 4.190 -1.093 244 HD23 LEU 33 3HD2 LEU 33 -4.965 2.577 -1.621 245 HA PRO 34 HA PRO 34 -5.910 4.252 -8.484 246 HB2 PRO 34 2HB PRO 34 -6.117 6.978 -8.611 247 HB3 PRO 34 3HB PRO 34 -7.440 5.928 -8.014 248 HG2 PRO 34 2HG PRO 34 -5.373 7.432 -6.385 249 HG3 PRO 34 3HG PRO 34 -7.146 7.390 -6.141 250 HD2 PRO 34 2HD PRO 34 -5.455 5.833 -4.744 251 HD3 PRO 34 3HD PRO 34 -7.061 5.216 -5.224 252 H CYS 35 H CYS 35 -3.328 4.996 -6.536 253 HA CYS 35 HA CYS 35 -1.440 6.349 -8.415 254 HB2 CYS 35 2HB CYS 35 -1.652 7.203 -6.232 255 HB3 CYS 35 3HB CYS 35 -1.724 5.600 -5.496 256 H MET 36 H MET 36 -2.678 3.381 -8.483 257 HA MET 36 HA MET 36 -2.005 1.282 -8.842 258 HB2 MET 36 2HB MET 36 0.136 2.742 -10.437 259 HB3 MET 36 3HB MET 36 -0.347 1.051 -10.655 260 HG2 MET 36 2HG MET 36 -2.658 1.792 -11.187 261 HG3 MET 36 3HG MET 36 -2.156 3.476 -10.979 262 HE1 MET 36 1HE MET 36 -3.610 3.209 -13.440 263 HE2 MET 36 2HE MET 36 -2.568 4.617 -13.126 264 HE3 MET 36 3HE MET 36 -2.508 3.805 -14.707 265 H HIS 37 H HIS 37 -1.460 1.000 -6.535 266 HA HIS 37 HA HIS 37 1.395 0.305 -6.206 267 HB2 HIS 37 1HB HIS 37 0.111 2.748 -5.225 268 HB3 HIS 37 2HB HIS 37 0.585 1.730 -3.877 269 HD2 HIS 37 2HD HIS 37 3.184 0.911 -3.788 270 HE1 HIS 37 1HE HIS 37 4.714 4.141 -6.108 271 HE2 HIS 37 2HE HIS 37 5.333 2.208 -4.544 272 H LEU 38 H LEU 38 1.446 -1.728 -5.293 273 HA LEU 38 HA LEU 38 -0.853 -3.017 -4.130 274 HB2 LEU 38 2HB LEU 38 0.813 -4.342 -5.313 275 HB3 LEU 38 3HB LEU 38 2.131 -3.575 -4.422 276 HG LEU 38 HG LEU 38 1.340 -4.705 -2.297 277 HD11 LEU 38 1HD1 LEU 38 -0.514 -6.156 -4.225 278 HD12 LEU 38 2HD1 LEU 38 -0.207 -6.586 -2.529 279 HD13 LEU 38 3HD1 LEU 38 -1.026 -5.061 -2.919 280 HD21 LEU 38 1HD2 LEU 38 2.218 -6.845 -2.887 281 HD22 LEU 38 2HD2 LEU 38 1.965 -6.524 -4.619 282 HD23 LEU 38 3HD2 LEU 38 3.136 -5.561 -3.689 283 H PHE 39 H PHE 39 -1.338 -3.119 -1.919 284 HA PHE 39 HA PHE 39 0.652 -2.890 0.076 285 HB2 PHE 39 2HB PHE 39 -1.464 -0.736 -0.139 286 HB3 PHE 39 3HB PHE 39 -0.460 -1.018 1.300 287 HD1 PHE 39 1HD PHE 39 -0.968 1.308 -1.077 288 HD2 PHE 39 2HD PHE 39 2.263 -1.110 0.440 289 HE1 PHE 39 1HE PHE 39 0.669 3.060 -1.739 290 HE2 PHE 39 2HE PHE 39 3.879 0.618 -0.285 291 HZ PHE 39 HZ PHE 39 3.089 2.713 -1.351 292 H HIS 40 H HIS 40 -0.400 -3.344 2.168 293 HA HIS 40 HA HIS 40 -2.514 -5.345 1.994 294 HB2 HIS 40 1HB HIS 40 -0.289 -5.338 3.318 295 HB3 HIS 40 2HB HIS 40 -0.963 -4.088 4.275 296 HD2 HIS 40 2HD HIS 40 -3.225 -7.083 3.687 297 HE1 HIS 40 1HE HIS 40 -1.487 -7.452 7.553 298 HE2 HIS 40 2HE HIS 40 -3.218 -8.409 5.948 299 H GLN 41 H GLN 41 -4.628 -5.105 3.113 300 HA GLN 41 HA GLN 41 -5.963 -2.754 3.143 301 HB2 GLN 41 2HB GLN 41 -6.846 -5.060 3.534 302 HB3 GLN 41 3HB GLN 41 -6.310 -4.979 5.199 303 HG2 GLN 41 2HG GLN 41 -8.580 -4.481 5.340 304 HG3 GLN 41 3HG GLN 41 -7.855 -2.874 5.373 305 HE21 GLN 41 1HE2 GLN 41 -9.846 -5.186 3.455 306 HE22 GLN 41 2HE2 GLN 41 -10.281 -3.995 2.264 307 H VAL 42 H VAL 42 -4.591 -4.117 6.190 308 HA VAL 42 HA VAL 42 -5.180 -1.738 7.652 309 HB VAL 42 HB VAL 42 -3.292 -4.028 8.344 310 HG11 VAL 42 1HG1 VAL 42 -3.752 -3.333 10.709 311 HG12 VAL 42 2HG1 VAL 42 -2.871 -2.092 9.811 312 HG13 VAL 42 3HG1 VAL 42 -4.611 -1.901 10.097 313 HG21 VAL 42 1HG2 VAL 42 -5.598 -4.826 7.926 314 HG22 VAL 42 2HG2 VAL 42 -5.250 -4.857 9.657 315 HG23 VAL 42 3HG2 VAL 42 -6.241 -3.549 8.981 316 H CYS 43 H CYS 43 -2.241 -2.689 5.768 317 HA CYS 43 HA CYS 43 -0.355 -0.780 6.894 318 HB2 CYS 43 2HB CYS 43 -0.840 -2.130 4.222 319 HB3 CYS 43 3HB CYS 43 0.374 -1.010 4.436 320 H VAL 44 H VAL 44 -2.579 -0.723 4.104 321 HA VAL 44 HA VAL 44 -1.994 1.831 3.231 322 HB VAL 44 HB VAL 44 -4.490 0.076 3.039 323 HG11 VAL 44 1HG1 VAL 44 -4.233 2.859 1.849 324 HG12 VAL 44 2HG1 VAL 44 -5.312 1.611 1.210 325 HG13 VAL 44 3HG1 VAL 44 -5.539 2.213 2.860 326 HG21 VAL 44 1HG2 VAL 44 -3.751 -0.065 0.688 327 HG22 VAL 44 2HG2 VAL 44 -2.412 1.047 1.053 328 HG23 VAL 44 3HG2 VAL 44 -2.506 -0.556 1.832 329 H ASP 45 H ASP 45 -4.505 0.662 5.485 330 HA ASP 45 HA ASP 45 -5.471 3.288 6.186 331 HB2 ASP 45 2HB ASP 45 -6.509 0.768 6.176 332 HB3 ASP 45 3HB ASP 45 -6.081 0.870 7.874 333 H GLN 46 H GLN 46 -2.589 2.903 6.595 334 HA GLN 46 HA GLN 46 -2.464 3.936 9.340 335 HB2 GLN 46 2HB GLN 46 -1.275 1.455 8.411 336 HB3 GLN 46 3HB GLN 46 0.023 2.607 8.749 337 HG2 GLN 46 2HG GLN 46 -0.796 2.961 11.000 338 HG3 GLN 46 3HG GLN 46 -2.270 2.031 10.659 339 HE21 GLN 46 1HE2 GLN 46 -1.697 0.675 12.540 340 HE22 GLN 46 2HE2 GLN 46 -0.473 -0.570 12.316 341 H ARG 47 H ARG 47 -0.248 3.395 6.511 342 HA ARG 47 HA ARG 47 0.953 5.987 6.913 343 HB2 ARG 47 2HB ARG 47 2.039 4.128 5.758 344 HB3 ARG 47 3HB ARG 47 0.919 4.307 4.388 345 HG2 ARG 47 2HG ARG 47 1.920 6.549 3.944 346 HG3 ARG 47 3HG ARG 47 2.987 6.314 5.348 347 HD2 ARG 47 2HD ARG 47 3.500 3.986 4.028 348 HD3 ARG 47 3HD ARG 47 3.009 4.958 2.651 349 HE ARG 47 HE ARG 47 4.950 6.180 2.808 350 HH11 ARG 47 1HH1 ARG 47 7.613 5.944 5.111 351 HH12 ARG 47 2HH1 ARG 47 7.093 6.626 3.617 352 HH21 ARG 47 1HH2 ARG 47 6.167 4.527 6.341 353 HH22 ARG 47 2HH2 ARG 47 4.577 4.242 5.751 354 H LEU 48 H LEU 48 -1.819 4.962 4.870 355 HA LEU 48 HA LEU 48 -1.922 7.678 3.708 356 HB2 LEU 48 2HB LEU 48 -3.608 5.209 3.115 357 HB3 LEU 48 3HB LEU 48 -3.778 6.767 2.370 358 HG LEU 48 HG LEU 48 -2.589 5.634 0.779 359 HD11 LEU 48 1HD1 LEU 48 -0.276 6.783 2.379 360 HD12 LEU 48 2HD1 LEU 48 -0.355 6.518 0.628 361 HD13 LEU 48 3HD1 LEU 48 -1.394 7.744 1.378 362 HD21 LEU 48 1HD2 LEU 48 -0.869 4.318 2.902 363 HD22 LEU 48 2HD2 LEU 48 -2.147 3.581 1.925 364 HD23 LEU 48 3HD2 LEU 48 -0.665 4.137 1.149 365 H ILE 49 H ILE 49 -2.835 6.410 6.647 366 HA ILE 49 HA ILE 49 -5.349 7.909 6.777 367 HB ILE 49 HB ILE 49 -3.547 6.655 8.875 368 HG12 ILE 49 2HG1 ILE 49 -4.926 5.135 7.534 369 HG13 ILE 49 3HG1 ILE 49 -5.404 5.151 9.234 370 HG21 ILE 49 1HG2 ILE 49 -5.370 7.196 10.517 371 HG22 ILE 49 2HG2 ILE 49 -4.380 8.567 10.008 372 HG23 ILE 49 3HG2 ILE 49 -6.004 8.364 9.331 373 HD11 ILE 49 1HD1 ILE 49 -7.320 6.695 8.587 374 HD12 ILE 49 2HD1 ILE 49 -6.876 6.412 6.884 375 HD13 ILE 49 3HD1 ILE 49 -7.395 5.068 7.904 376 H THR 50 H THR 50 -1.836 8.416 7.453 377 HA THR 50 HA THR 50 -2.483 11.268 8.010 378 HB THR 50 HB THR 50 -0.195 11.262 8.999 379 HG1 THR 50 1HG THR 50 0.681 9.558 7.819 380 HG21 THR 50 1HG2 THR 50 -2.233 10.759 10.375 381 HG22 THR 50 2HG2 THR 50 -1.951 9.024 10.095 382 HG23 THR 50 3HG2 THR 50 -0.754 9.984 10.980 383 H ASN 51 H ASN 51 -2.335 10.011 5.179 384 HA ASN 51 HA ASN 51 -0.800 12.175 4.068 385 HB2 ASN 51 2HB ASN 51 1.038 10.507 4.562 386 HB3 ASN 51 3HB ASN 51 0.181 9.336 3.542 387 HD21 ASN 51 1HD2 ASN 51 1.741 9.201 1.858 388 HD22 ASN 51 2HD2 ASN 51 2.070 10.548 0.805 389 H LYS 52 H LYS 52 -1.106 12.207 1.629 390 HA LYS 52 HA LYS 52 -3.087 10.295 0.589 391 HB2 LYS 52 2HB LYS 52 -4.639 12.141 -0.076 392 HB3 LYS 52 3HB LYS 52 -4.577 11.827 1.645 393 HG2 LYS 52 2HG LYS 52 -2.586 13.854 1.080 394 HG3 LYS 52 3HG LYS 52 -4.066 14.303 0.232 395 HD2 LYS 52 2HD LYS 52 -5.362 14.245 2.237 396 HD3 LYS 52 3HD LYS 52 -4.064 13.453 3.157 397 HE2 LYS 52 2HE LYS 52 -2.685 15.404 3.095 398 HE3 LYS 52 3HE LYS 52 -3.725 16.191 1.891 399 HZ1 LYS 52 1HZ LYS 52 -4.087 16.998 4.166 400 HZ2 LYS 52 2HZ LYS 52 -5.451 16.342 3.503 401 HZ3 LYS 52 3HZ LYS 52 -4.599 15.499 4.622 402 H LYS 53 H LYS 53 -0.512 10.391 -0.272 403 HA LYS 53 HA LYS 53 -0.803 11.405 -2.956 404 HB2 LYS 53 2HB LYS 53 1.181 12.779 -3.084 405 HB3 LYS 53 3HB LYS 53 0.090 13.455 -1.867 406 HG2 LYS 53 2HG LYS 53 1.455 12.318 -0.093 407 HG3 LYS 53 3HG LYS 53 2.562 11.737 -1.335 408 HD2 LYS 53 2HD LYS 53 3.707 13.556 -0.620 409 HD3 LYS 53 3HD LYS 53 2.778 14.301 -1.935 410 HE2 LYS 53 2HE LYS 53 1.102 15.099 -0.278 411 HE3 LYS 53 3HE LYS 53 1.968 14.256 1.017 412 HZ1 LYS 53 1HZ LYS 53 3.861 15.700 0.600 413 HZ2 LYS 53 2HZ LYS 53 3.033 16.506 -0.573 414 HZ3 LYS 53 3HZ LYS 53 2.534 16.583 0.991 415 H CYS 54 H CYS 54 0.757 10.325 -4.382 416 HA CYS 54 HA CYS 54 2.072 7.885 -3.295 417 HB2 CYS 54 2HB CYS 54 1.368 8.983 -5.921 418 HB3 CYS 54 3HB CYS 54 3.049 8.416 -5.860 419 HA PRO 55 HA PRO 55 6.011 9.766 -2.594 420 HB2 PRO 55 2HB PRO 55 7.734 7.693 -2.942 421 HB3 PRO 55 3HB PRO 55 6.491 7.664 -1.650 422 HG2 PRO 55 2HG PRO 55 6.330 6.396 -4.404 423 HG3 PRO 55 3HG PRO 55 5.989 5.633 -2.820 424 HD2 PRO 55 2HD PRO 55 4.026 6.688 -4.402 425 HD3 PRO 55 3HD PRO 55 3.932 6.750 -2.617 426 H ILE 56 H ILE 56 5.290 8.450 -5.719 427 HA ILE 56 HA ILE 56 7.242 10.324 -6.904 428 HB ILE 56 HB ILE 56 8.376 8.170 -6.942 429 HG12 ILE 56 2HG1 ILE 56 8.282 7.840 -9.630 430 HG13 ILE 56 3HG1 ILE 56 7.504 9.412 -9.540 431 HG21 ILE 56 1HG2 ILE 56 6.105 7.016 -8.602 432 HG22 ILE 56 2HG2 ILE 56 7.579 6.211 -8.059 433 HG23 ILE 56 3HG2 ILE 56 6.365 6.677 -6.867 434 HD11 ILE 56 1HD1 ILE 56 9.468 10.255 -8.208 435 HD12 ILE 56 2HD1 ILE 56 10.234 8.660 -8.420 436 HD13 ILE 56 3HD1 ILE 56 9.905 9.679 -9.833 437 H CYS 57 H CYS 57 4.540 8.077 -7.521 438 HA CYS 57 HA CYS 57 3.561 8.998 -9.946 439 HB2 CYS 57 2HB CYS 57 1.458 8.307 -7.995 440 HB3 CYS 57 3HB CYS 57 1.819 7.634 -9.559 441 H ARG 58 H ARG 58 3.069 10.411 -6.742 442 HA ARG 58 HA ARG 58 2.547 12.475 -6.046 443 HB2 ARG 58 2HB ARG 58 4.026 12.899 -8.311 444 HB3 ARG 58 3HB ARG 58 2.556 13.789 -8.716 445 HG2 ARG 58 2HG ARG 58 2.771 15.047 -6.557 446 HG3 ARG 58 3HG ARG 58 4.233 14.104 -6.185 447 HD2 ARG 58 2HD ARG 58 5.234 14.949 -8.347 448 HD3 ARG 58 3HD ARG 58 3.837 16.040 -8.500 449 HE ARG 58 HE ARG 58 4.945 16.399 -5.936 450 HH11 ARG 58 1HH1 ARG 58 7.304 18.904 -6.736 451 HH12 ARG 58 2HH1 ARG 58 6.455 18.115 -5.459 452 HH21 ARG 58 1HH2 ARG 58 6.957 18.221 -8.984 453 HH22 ARG 58 2HH2 ARG 58 5.840 16.940 -9.299 454 H VAL 59 H VAL 59 0.466 10.702 -7.771 455 HA VAL 59 HA VAL 59 -1.747 12.475 -8.183 456 HB VAL 59 HB VAL 59 -1.439 9.452 -7.785 457 HG11 VAL 59 1HG1 VAL 59 -3.670 9.289 -8.920 458 HG12 VAL 59 2HG1 VAL 59 -3.786 10.089 -7.354 459 HG13 VAL 59 3HG1 VAL 59 -3.825 11.058 -8.844 460 HG21 VAL 59 1HG2 VAL 59 -1.636 11.205 -10.278 461 HG22 VAL 59 2HG2 VAL 59 -0.268 10.188 -9.790 462 HG23 VAL 59 3HG2 VAL 59 -1.778 9.434 -10.299 463 H ASP 60 H ASP 60 -3.400 12.928 -6.722 464 HA ASP 60 HA ASP 60 -2.894 12.592 -3.886 465 HB2 ASP 60 2HB ASP 60 -5.371 13.503 -5.425 466 HB3 ASP 60 3HB ASP 60 -5.218 13.493 -3.664 467 H ILE 61 H ILE 61 -3.394 10.757 -2.765 468 HA ILE 61 HA ILE 61 -4.586 8.498 -4.082 469 HB ILE 61 HB ILE 61 -3.940 8.967 -1.140 470 HG12 ILE 61 2HG1 ILE 61 -1.922 9.445 -2.256 471 HG13 ILE 61 3HG1 ILE 61 -1.760 7.804 -1.653 472 HG21 ILE 61 1HG2 ILE 61 -3.603 6.576 -1.032 473 HG22 ILE 61 2HG2 ILE 61 -5.260 6.911 -1.584 474 HG23 ILE 61 3HG2 ILE 61 -4.033 6.423 -2.749 475 HD11 ILE 61 1HD1 ILE 61 -2.327 8.744 -4.484 476 HD12 ILE 61 2HD1 ILE 61 -0.881 7.911 -3.882 477 HD13 ILE 61 3HD1 ILE 61 -2.429 7.045 -3.981 478 H GLU 62 H GLU 62 -5.652 10.943 -1.814 479 HA GLU 62 HA GLU 62 -8.153 9.561 -1.135 480 HB2 GLU 62 2HB GLU 62 -6.765 10.768 0.531 481 HB3 GLU 62 3HB GLU 62 -7.008 12.280 -0.347 482 HG2 GLU 62 2HG GLU 62 -9.496 12.022 0.059 483 HG3 GLU 62 3HG GLU 62 -9.132 10.601 1.049 484 H ALA 63 H ALA 63 -7.603 12.998 -2.103 485 HA ALA 63 HA ALA 63 -9.037 12.767 -4.563 486 HB1 ALA 63 1HB ALA 63 -10.327 14.313 -2.253 487 HB2 ALA 63 2HB ALA 63 -10.855 14.365 -3.951 488 HB3 ALA 63 3HB ALA 63 -10.995 12.858 -3.026 489 H GLN 64 H GLN 64 -8.970 15.018 -5.632 490 HA GLN 64 HA GLN 64 -6.451 16.282 -4.915 491 HB2 GLN 64 2HB GLN 64 -7.298 15.878 -7.280 492 HB3 GLN 64 3HB GLN 64 -8.472 17.168 -6.994 493 HG2 GLN 64 2HG GLN 64 -6.159 18.413 -6.182 494 HG3 GLN 64 3HG GLN 64 -5.487 17.281 -7.352 495 HE21 GLN 64 1HE2 GLN 64 -5.527 20.212 -7.522 496 HE22 GLN 64 2HE2 GLN 64 -6.485 20.588 -8.951 497 H LEU 65 H LEU 65 -7.200 16.913 -2.715 498 HA LEU 65 HA LEU 65 -8.070 19.718 -2.822 499 HB2 LEU 65 2HB LEU 65 -9.619 17.540 -1.445 500 HB3 LEU 65 3HB LEU 65 -9.365 19.030 -0.556 501 HG LEU 65 HG LEU 65 -10.155 19.939 -3.107 502 HD11 LEU 65 1HD1 LEU 65 -12.295 18.804 -3.504 503 HD12 LEU 65 2HD1 LEU 65 -10.948 17.666 -3.675 504 HD13 LEU 65 3HD1 LEU 65 -11.947 17.643 -2.202 505 HD21 LEU 65 1HD2 LEU 65 -12.152 20.698 -1.916 506 HD22 LEU 65 2HD2 LEU 65 -11.801 19.583 -0.575 507 HD23 LEU 65 3HD2 LEU 65 -10.703 20.937 -0.927 508 HA PRO 66 HA PRO 66 -4.618 19.346 0.085 509 HB2 PRO 66 2HB PRO 66 -3.781 21.939 0.025 510 HB3 PRO 66 3HB PRO 66 -3.473 20.820 -1.339 511 HG2 PRO 66 2HG PRO 66 -5.708 22.853 -1.069 512 HG3 PRO 66 3HG PRO 66 -4.611 22.594 -2.465 513 HD2 PRO 66 2HD PRO 66 -7.128 21.506 -2.294 514 HD3 PRO 66 3HD PRO 66 -5.786 20.671 -3.141 515 H SER 67 H SER 67 -4.169 20.775 2.144 516 HA SER 67 HA SER 67 -6.572 22.101 3.196 517 HB2 SER 67 2HB SER 67 -6.840 19.694 3.798 518 HB3 SER 67 3HB SER 67 -5.288 19.740 4.646 519 HG SER 67 HG SER 67 -6.230 21.387 6.005 520 H GLU 68 H GLU 68 -3.473 20.750 4.591 521 HA GLU 68 HA GLU 68 -2.258 23.378 4.485 522 HB2 GLU 68 2HB GLU 68 -3.679 23.024 6.703 523 HB3 GLU 68 3HB GLU 68 -2.340 21.965 7.168 524 HG2 GLU 68 2HG GLU 68 -0.757 23.871 6.737 525 HG3 GLU 68 3HG GLU 68 -2.141 24.897 6.334 526 H SER 69 H SER 69 0.080 23.030 4.373 527 HA SER 69 HA SER 69 1.388 20.703 5.185 528 HB2 SER 69 2HB SER 69 0.157 19.682 3.211 529 HB3 SER 69 3HB SER 69 0.939 20.893 2.171 530 HG SER 69 HG SER 69 2.947 20.026 3.164 Start of MODEL 22 1 H1 MET 1 H1 MET 1 25.305 -32.746 -1.638 2 H2 MET 1 H2 MET 1 24.212 -33.976 -1.625 3 H3 MET 1 H3 MET 1 24.695 -33.288 -0.208 4 HA MET 1 HA MET 1 25.709 -35.420 -0.494 5 HB2 MET 1 2HB MET 1 26.641 -34.192 -3.093 6 HB3 MET 1 3HB MET 1 27.599 -35.442 -2.275 7 HG2 MET 1 2HG MET 1 25.651 -36.932 -2.190 8 HG3 MET 1 3HG MET 1 24.679 -35.739 -3.063 9 HE1 MET 1 1HE MET 1 25.529 -38.979 -3.690 10 HE2 MET 1 2HE MET 1 24.193 -38.080 -4.451 11 HE3 MET 1 3HE MET 1 25.425 -38.872 -5.460 12 H LYS 2 H LYS 2 27.673 -32.455 -1.441 13 HA LYS 2 HA LYS 2 29.295 -33.068 0.974 14 HB2 LYS 2 2HB LYS 2 31.246 -32.253 -0.349 15 HB3 LYS 2 3HB LYS 2 30.532 -33.769 -0.883 16 HG2 LYS 2 2HG LYS 2 29.290 -32.410 -2.689 17 HG3 LYS 2 3HG LYS 2 30.367 -31.067 -2.285 18 HD2 LYS 2 2HD LYS 2 31.624 -33.740 -2.828 19 HD3 LYS 2 3HD LYS 2 30.904 -32.887 -4.193 20 HE2 LYS 2 2HE LYS 2 32.419 -31.206 -4.205 21 HE3 LYS 2 3HE LYS 2 32.607 -31.184 -2.446 22 HZ1 LYS 2 1HZ LYS 2 34.004 -33.090 -2.580 23 HZ2 LYS 2 2HZ LYS 2 33.754 -33.262 -4.201 24 HZ3 LYS 2 3HZ LYS 2 34.583 -31.963 -3.625 25 H GLN 3 H GLN 3 28.819 -30.360 -1.379 26 HA GLN 3 HA GLN 3 27.724 -28.614 0.639 27 HB2 GLN 3 2HB GLN 3 29.538 -26.905 0.186 28 HB3 GLN 3 3HB GLN 3 29.973 -28.212 1.291 29 HG2 GLN 3 2HG GLN 3 31.275 -29.351 -0.401 30 HG3 GLN 3 3HG GLN 3 30.751 -28.226 -1.660 31 HE21 GLN 3 1HE2 GLN 3 31.201 -25.760 -1.016 32 HE22 GLN 3 2HE2 GLN 3 32.827 -25.528 -0.388 33 H ASP 4 H ASP 4 26.124 -27.731 -0.448 34 HA ASP 4 HA ASP 4 26.701 -26.426 -2.920 35 HB2 ASP 4 2HB ASP 4 26.078 -28.785 -3.667 36 HB3 ASP 4 3HB ASP 4 24.493 -28.540 -2.914 37 H GLY 5 H GLY 5 25.613 -24.586 -2.683 38 HA2 GLY 5 2HA GLY 5 23.375 -24.387 -0.698 39 HA3 GLY 5 3HA GLY 5 24.728 -23.235 -0.697 40 H GLU 6 H GLU 6 21.800 -22.732 -1.197 41 HA GLU 6 HA GLU 6 22.021 -21.450 -3.820 42 HB2 GLU 6 2HB GLU 6 20.815 -23.940 -3.640 43 HB3 GLU 6 3HB GLU 6 19.443 -22.869 -3.332 44 HG2 GLU 6 2HG GLU 6 20.039 -21.611 -5.440 45 HG3 GLU 6 3HG GLU 6 21.378 -22.734 -5.694 46 H GLU 7 H GLU 7 19.418 -20.414 -3.922 47 HA GLU 7 HA GLU 7 18.898 -19.225 -1.303 48 HB2 GLU 7 2HB GLU 7 20.566 -17.833 -2.929 49 HB3 GLU 7 3HB GLU 7 19.020 -17.288 -3.594 50 HG2 GLU 7 2HG GLU 7 18.308 -16.652 -1.259 51 HG3 GLU 7 3HG GLU 7 19.878 -17.186 -0.659 52 H GLY 8 H GLY 8 16.813 -17.581 -1.914 53 HA2 GLY 8 2HA GLY 8 14.871 -19.486 -3.062 54 HA3 GLY 8 3HA GLY 8 14.517 -18.006 -2.148 55 H THR 9 H THR 9 12.966 -17.444 -3.870 56 HA THR 9 HA THR 9 14.232 -15.848 -5.918 57 HB THR 9 HB THR 9 14.130 -17.993 -7.067 58 HG1 THR 9 1HG THR 9 11.946 -16.543 -8.082 59 HG21 THR 9 1HG2 THR 9 11.144 -17.982 -6.449 60 HG22 THR 9 2HG2 THR 9 11.986 -19.118 -7.528 61 HG23 THR 9 3HG2 THR 9 12.352 -19.110 -5.795 62 H GLU 10 H GLU 10 12.629 -14.453 -6.883 63 HA GLU 10 HA GLU 10 10.641 -13.590 -7.345 64 HB2 GLU 10 2HB GLU 10 9.541 -15.686 -6.234 65 HB3 GLU 10 3HB GLU 10 9.313 -14.642 -4.818 66 HG2 GLU 10 2HG GLU 10 7.318 -14.614 -6.223 67 HG3 GLU 10 3HG GLU 10 8.085 -13.018 -6.263 68 H GLU 11 H GLU 11 10.660 -11.402 -7.165 69 HA GLU 11 HA GLU 11 10.779 -10.173 -4.514 70 HB2 GLU 11 2HB GLU 11 13.025 -9.160 -4.886 71 HB3 GLU 11 3HB GLU 11 13.026 -10.889 -4.583 72 HG2 GLU 11 2HG GLU 11 13.247 -11.303 -7.063 73 HG3 GLU 11 3HG GLU 11 13.433 -9.563 -7.299 74 H ASP 12 H ASP 12 8.745 -9.356 -5.752 75 HA ASP 12 HA ASP 12 9.541 -6.691 -6.722 76 HB2 ASP 12 2HB ASP 12 9.083 -8.218 -8.716 77 HB3 ASP 12 3HB ASP 12 7.406 -8.298 -8.158 78 H THR 13 H THR 13 7.314 -5.334 -6.829 79 HA THR 13 HA THR 13 6.054 -5.565 -4.198 80 HB THR 13 HB THR 13 5.648 -3.594 -6.495 81 HG1 THR 13 1HG THR 13 7.735 -3.552 -5.730 82 HG21 THR 13 1HG2 THR 13 4.938 -2.075 -4.562 83 HG22 THR 13 2HG2 THR 13 3.772 -3.326 -5.000 84 HG23 THR 13 3HG2 THR 13 4.797 -3.539 -3.564 85 H GLU 14 H GLU 14 5.429 -7.867 -5.228 86 HA GLU 14 HA GLU 14 2.899 -7.647 -6.724 87 HB2 GLU 14 2HB GLU 14 4.677 -9.170 -7.477 88 HB3 GLU 14 3HB GLU 14 4.563 -10.071 -5.952 89 HG2 GLU 14 2HG GLU 14 2.401 -10.901 -6.462 90 HG3 GLU 14 3HG GLU 14 2.051 -9.575 -7.576 91 H GLU 15 H GLU 15 4.161 -8.603 -3.484 92 HA GLU 15 HA GLU 15 1.456 -8.154 -2.482 93 HB2 GLU 15 2HB GLU 15 1.117 -10.343 -1.470 94 HB3 GLU 15 3HB GLU 15 1.172 -10.431 -3.222 95 HG2 GLU 15 2HG GLU 15 3.629 -11.151 -3.007 96 HG3 GLU 15 3HG GLU 15 3.320 -11.338 -1.274 97 H LYS 16 H LYS 16 3.811 -6.809 -2.132 98 HA LYS 16 HA LYS 16 4.715 -7.628 0.596 99 HB2 LYS 16 2HB LYS 16 6.300 -5.966 -1.381 100 HB3 LYS 16 3HB LYS 16 6.848 -6.651 0.160 101 HG2 LYS 16 2HG LYS 16 6.211 -8.967 -0.814 102 HG3 LYS 16 3HG LYS 16 6.063 -8.165 -2.368 103 HD2 LYS 16 2HD LYS 16 8.573 -8.519 -0.691 104 HD3 LYS 16 3HD LYS 16 8.209 -9.183 -2.297 105 HE2 LYS 16 2HE LYS 16 8.035 -6.797 -3.120 106 HE3 LYS 16 3HE LYS 16 8.553 -6.275 -1.529 107 HZ1 LYS 16 1HZ LYS 16 10.615 -7.573 -1.911 108 HZ2 LYS 16 2HZ LYS 16 10.082 -7.960 -3.422 109 HZ3 LYS 16 3HZ LYS 16 10.425 -6.401 -3.055 110 H CYS 17 H CYS 17 4.051 -6.403 2.221 111 HA CYS 17 HA CYS 17 2.612 -3.845 1.824 112 HB2 CYS 17 2HB CYS 17 1.962 -5.633 3.390 113 HB3 CYS 17 3HB CYS 17 3.449 -5.351 4.306 114 H THR 18 H THR 18 3.950 -2.117 1.313 115 HA THR 18 HA THR 18 6.686 -2.010 2.327 116 HB THR 18 HB THR 18 6.601 0.181 1.086 117 HG1 THR 18 1HG THR 18 4.595 0.480 -0.098 118 HG21 THR 18 1HG2 THR 18 6.395 -0.824 -1.144 119 HG22 THR 18 2HG2 THR 18 7.150 -2.009 -0.063 120 HG23 THR 18 3HG2 THR 18 5.449 -2.182 -0.504 121 H ILE 19 H ILE 19 3.733 -1.603 3.786 122 HA ILE 19 HA ILE 19 4.289 0.900 5.190 123 HB ILE 19 HB ILE 19 1.942 -0.990 5.478 124 HG12 ILE 19 2HG1 ILE 19 2.662 1.022 3.355 125 HG13 ILE 19 3HG1 ILE 19 1.778 -0.521 3.230 126 HG21 ILE 19 1HG2 ILE 19 2.390 1.929 6.047 127 HG22 ILE 19 2HG2 ILE 19 0.888 1.089 6.393 128 HG23 ILE 19 3HG2 ILE 19 2.344 0.670 7.297 129 HD11 ILE 19 1HD1 ILE 19 0.689 2.062 4.346 130 HD12 ILE 19 2HD1 ILE 19 0.342 1.323 2.761 131 HD13 ILE 19 3HD1 ILE 19 -0.150 0.479 4.245 132 H CYS 20 H CYS 20 3.488 -2.531 6.011 133 HA CYS 20 HA CYS 20 4.644 -2.286 8.760 134 HB2 CYS 20 2HB CYS 20 3.746 -4.608 8.903 135 HB3 CYS 20 3HB CYS 20 2.542 -3.340 8.728 136 H LEU 21 H LEU 21 6.271 -2.024 6.255 137 HA LEU 21 HA LEU 21 7.919 -3.028 5.042 138 HB2 LEU 21 2HB LEU 21 9.969 -3.017 6.400 139 HB3 LEU 21 3HB LEU 21 9.009 -1.564 6.561 140 HG LEU 21 HG LEU 21 8.748 -3.791 8.613 141 HD11 LEU 21 1HD1 LEU 21 11.145 -3.345 8.423 142 HD12 LEU 21 2HD1 LEU 21 10.859 -1.595 8.562 143 HD13 LEU 21 3HD1 LEU 21 10.515 -2.676 9.935 144 HD21 LEU 21 1HD2 LEU 21 7.557 -1.203 8.324 145 HD22 LEU 21 2HD2 LEU 21 7.476 -2.291 9.721 146 HD23 LEU 21 3HD2 LEU 21 8.741 -1.055 9.623 147 H SER 22 H SER 22 6.293 -5.098 4.992 148 HA SER 22 HA SER 22 8.102 -7.371 5.284 149 HB2 SER 22 2HB SER 22 7.191 -7.263 7.536 150 HB3 SER 22 3HB SER 22 5.529 -7.165 6.921 151 HG SER 22 HG SER 22 5.631 -9.283 6.352 152 H ILE 23 H ILE 23 7.071 -9.316 4.488 153 HA ILE 23 HA ILE 23 5.302 -8.737 2.186 154 HB ILE 23 HB ILE 23 6.753 -11.320 2.958 155 HG12 ILE 23 2HG1 ILE 23 8.167 -10.584 0.904 156 HG13 ILE 23 3HG1 ILE 23 7.564 -8.956 1.226 157 HG21 ILE 23 1HG2 ILE 23 4.934 -11.795 1.476 158 HG22 ILE 23 2HG2 ILE 23 5.232 -10.339 0.505 159 HG23 ILE 23 3HG2 ILE 23 6.347 -11.719 0.446 160 HD11 ILE 23 1HD1 ILE 23 9.047 -10.611 3.305 161 HD12 ILE 23 2HD1 ILE 23 9.883 -9.618 2.093 162 HD13 ILE 23 3HD1 ILE 23 8.833 -8.838 3.261 163 H LEU 24 H LEU 24 3.413 -10.153 1.917 164 HA LEU 24 HA LEU 24 2.136 -10.742 4.541 165 HB2 LEU 24 2HB LEU 24 0.858 -10.122 1.839 166 HB3 LEU 24 3HB LEU 24 0.051 -10.289 3.399 167 HG LEU 24 HG LEU 24 2.145 -8.158 2.689 168 HD11 LEU 24 1HD1 LEU 24 -0.877 -8.159 2.701 169 HD12 LEU 24 2HD1 LEU 24 0.156 -6.718 2.496 170 HD13 LEU 24 3HD1 LEU 24 0.226 -8.036 1.303 171 HD21 LEU 24 1HD2 LEU 24 1.213 -7.067 4.755 172 HD22 LEU 24 2HD2 LEU 24 0.322 -8.574 5.076 173 HD23 LEU 24 3HD2 LEU 24 2.092 -8.567 5.073 174 H GLU 25 H GLU 25 1.544 -11.804 1.208 175 HA GLU 25 HA GLU 25 1.093 -13.806 0.321 176 HB2 GLU 25 2HB GLU 25 2.986 -15.274 0.191 177 HB3 GLU 25 3HB GLU 25 3.501 -13.593 0.135 178 HG2 GLU 25 2HG GLU 25 4.216 -13.720 2.512 179 HG3 GLU 25 3HG GLU 25 3.673 -15.399 2.588 180 H GLU 26 H GLU 26 -0.146 -13.449 2.900 181 HA GLU 26 HA GLU 26 -0.522 -16.288 3.662 182 HB2 GLU 26 2HB GLU 26 -0.206 -13.747 5.207 183 HB3 GLU 26 3HB GLU 26 -1.419 -14.868 5.815 184 HG2 GLU 26 2HG GLU 26 0.263 -16.713 5.774 185 HG3 GLU 26 3HG GLU 26 1.498 -15.559 5.267 186 H GLY 27 H GLY 27 -1.888 -14.722 1.598 187 HA2 GLY 27 2HA GLY 27 -4.056 -14.631 0.688 188 HA3 GLY 27 3HA GLY 27 -4.551 -15.740 1.980 189 H GLU 28 H GLU 28 -3.061 -12.751 2.965 190 HA GLU 28 HA GLU 28 -5.389 -11.860 4.376 191 HB2 GLU 28 2HB GLU 28 -2.756 -10.536 3.604 192 HB3 GLU 28 3HB GLU 28 -4.004 -9.697 4.536 193 HG2 GLU 28 2HG GLU 28 -3.926 -11.491 6.260 194 HG3 GLU 28 3HG GLU 28 -2.589 -12.259 5.377 195 H ASP 29 H ASP 29 -6.731 -10.033 4.003 196 HA ASP 29 HA ASP 29 -7.369 -9.370 1.297 197 HB2 ASP 29 2HB ASP 29 -7.992 -7.888 3.891 198 HB3 ASP 29 3HB ASP 29 -8.739 -7.581 2.317 199 H VAL 30 H VAL 30 -6.250 -8.030 -0.039 200 HA VAL 30 HA VAL 30 -4.684 -5.824 1.180 201 HB VAL 30 HB VAL 30 -3.068 -5.976 -0.587 202 HG11 VAL 30 1HG1 VAL 30 -3.431 -8.767 0.563 203 HG12 VAL 30 2HG1 VAL 30 -1.922 -7.991 0.057 204 HG13 VAL 30 3HG1 VAL 30 -2.797 -7.387 1.480 205 HG21 VAL 30 1HG2 VAL 30 -3.051 -7.949 -2.159 206 HG22 VAL 30 2HG2 VAL 30 -4.691 -8.340 -1.632 207 HG23 VAL 30 3HG2 VAL 30 -4.365 -6.804 -2.470 208 H ARG 31 H ARG 31 -4.597 -3.855 -0.238 209 HA ARG 31 HA ARG 31 -6.877 -3.751 -2.105 210 HB2 ARG 31 2HB ARG 31 -7.203 -2.980 0.449 211 HB3 ARG 31 3HB ARG 31 -6.429 -1.510 -0.115 212 HG2 ARG 31 2HG ARG 31 -8.610 -2.413 -1.919 213 HG3 ARG 31 3HG ARG 31 -9.139 -2.282 -0.253 214 HD2 ARG 31 2HD ARG 31 -7.928 0.102 -0.363 215 HD3 ARG 31 3HD ARG 31 -8.140 -0.117 -2.098 216 HE ARG 31 HE ARG 31 -10.402 0.210 -1.868 217 HH11 ARG 31 1HH1 ARG 31 -12.415 0.335 1.037 218 HH12 ARG 31 2HH1 ARG 31 -12.429 0.424 -0.691 219 HH21 ARG 31 1HH2 ARG 31 -10.410 -0.288 2.206 220 HH22 ARG 31 2HH2 ARG 31 -8.951 -0.212 1.348 221 H ARG 32 H ARG 32 -6.761 -1.525 -3.264 222 HA ARG 32 HA ARG 32 -3.947 -0.777 -3.668 223 HB2 ARG 32 2HB ARG 32 -4.251 -0.746 -6.110 224 HB3 ARG 32 3HB ARG 32 -4.558 -2.363 -5.459 225 HG2 ARG 32 2HG ARG 32 -6.376 -2.188 -6.870 226 HG3 ARG 32 3HG ARG 32 -7.105 -1.465 -5.429 227 HD2 ARG 32 2HD ARG 32 -6.217 0.784 -6.352 228 HD3 ARG 32 3HD ARG 32 -5.918 -0.074 -7.865 229 HE ARG 32 HE ARG 32 -8.548 -0.637 -7.242 230 HH11 ARG 32 1HH1 ARG 32 -10.119 2.371 -8.251 231 HH12 ARG 32 2HH1 ARG 32 -10.360 0.705 -7.876 232 HH21 ARG 32 1HH2 ARG 32 -7.939 3.305 -8.121 233 HH22 ARG 32 2HH2 ARG 32 -6.619 2.298 -7.629 234 H LEU 33 H LEU 33 -3.640 1.357 -4.511 235 HA LEU 33 HA LEU 33 -5.827 3.193 -3.781 236 HB2 LEU 33 2HB LEU 33 -3.134 4.270 -4.226 237 HB3 LEU 33 3HB LEU 33 -4.295 4.443 -2.888 238 HG LEU 33 HG LEU 33 -2.486 2.015 -3.144 239 HD11 LEU 33 1HD1 LEU 33 -0.924 2.951 -1.679 240 HD12 LEU 33 2HD1 LEU 33 -1.117 4.097 -3.008 241 HD13 LEU 33 3HD1 LEU 33 -1.871 4.416 -1.430 242 HD21 LEU 33 1HD2 LEU 33 -3.923 3.280 -0.764 243 HD22 LEU 33 2HD2 LEU 33 -4.500 1.849 -1.632 244 HD23 LEU 33 3HD2 LEU 33 -2.962 1.787 -0.752 245 HA PRO 34 HA PRO 34 -5.967 4.549 -8.014 246 HB2 PRO 34 2HB PRO 34 -5.835 7.274 -8.085 247 HB3 PRO 34 3HB PRO 34 -7.228 6.372 -7.409 248 HG2 PRO 34 2HG PRO 34 -4.916 7.622 -5.919 249 HG3 PRO 34 3HG PRO 34 -6.670 7.693 -5.548 250 HD2 PRO 34 2HD PRO 34 -4.914 5.948 -4.341 251 HD3 PRO 34 3HD PRO 34 -6.637 5.542 -4.599 252 H CYS 35 H CYS 35 -3.011 5.137 -6.261 253 HA CYS 35 HA CYS 35 -1.527 6.151 -8.659 254 HB2 CYS 35 2HB CYS 35 0.115 6.714 -7.191 255 HB3 CYS 35 3HB CYS 35 -1.326 7.036 -6.230 256 H MET 36 H MET 36 -2.823 3.494 -8.644 257 HA MET 36 HA MET 36 -2.508 1.324 -8.778 258 HB2 MET 36 2HB MET 36 -0.508 2.482 -10.739 259 HB3 MET 36 3HB MET 36 -0.880 0.751 -10.683 260 HG2 MET 36 2HG MET 36 -3.020 2.883 -11.033 261 HG3 MET 36 3HG MET 36 -2.186 2.087 -12.366 262 HE1 MET 36 1HE MET 36 -4.949 1.746 -13.001 263 HE2 MET 36 2HE MET 36 -3.665 0.726 -13.691 264 HE3 MET 36 3HE MET 36 -5.165 -0.018 -13.103 265 H HIS 37 H HIS 37 -1.845 1.174 -6.565 266 HA HIS 37 HA HIS 37 0.630 -0.379 -6.419 267 HB2 HIS 37 1HB HIS 37 0.104 2.179 -4.900 268 HB3 HIS 37 2HB HIS 37 0.718 0.810 -3.978 269 HD2 HIS 37 2HD HIS 37 3.027 -0.360 -4.819 270 HE1 HIS 37 1HE HIS 37 4.454 3.051 -6.934 271 HE2 HIS 37 2HE HIS 37 5.100 0.765 -5.973 272 H LEU 38 H LEU 38 0.288 -2.140 -5.031 273 HA LEU 38 HA LEU 38 -2.249 -2.177 -3.519 274 HB2 LEU 38 2HB LEU 38 -2.606 -4.369 -4.016 275 HB3 LEU 38 3HB LEU 38 -1.734 -3.939 -5.477 276 HG LEU 38 HG LEU 38 0.399 -4.745 -4.190 277 HD11 LEU 38 1HD1 LEU 38 -1.169 -6.731 -2.696 278 HD12 LEU 38 2HD1 LEU 38 0.197 -5.740 -2.170 279 HD13 LEU 38 3HD1 LEU 38 -1.460 -5.115 -2.082 280 HD21 LEU 38 1HD2 LEU 38 -0.053 -6.090 -5.945 281 HD22 LEU 38 2HD2 LEU 38 -0.501 -7.224 -4.680 282 HD23 LEU 38 3HD2 LEU 38 -1.767 -6.317 -5.509 283 H PHE 39 H PHE 39 -1.935 -2.654 -1.324 284 HA PHE 39 HA PHE 39 0.824 -3.291 -0.436 285 HB2 PHE 39 2HB PHE 39 -0.711 -0.859 0.527 286 HB3 PHE 39 3HB PHE 39 0.700 -1.517 1.343 287 HD1 PHE 39 1HD PHE 39 -0.027 1.286 -0.162 288 HD2 PHE 39 2HD PHE 39 2.553 -2.078 -0.969 289 HE1 PHE 39 1HE PHE 39 1.466 2.740 -1.511 290 HE2 PHE 39 2HE PHE 39 3.992 -0.645 -2.353 291 HZ PHE 39 HZ PHE 39 3.468 1.784 -2.619 292 H HIS 40 H HIS 40 -2.356 -2.347 1.083 293 HA HIS 40 HA HIS 40 -2.715 -5.025 2.068 294 HB2 HIS 40 1HB HIS 40 -1.005 -3.468 3.621 295 HB3 HIS 40 2HB HIS 40 -2.559 -3.146 4.371 296 HD2 HIS 40 2HD HIS 40 -3.607 -6.342 3.870 297 HE1 HIS 40 1HE HIS 40 -0.697 -7.102 6.855 298 HE2 HIS 40 2HE HIS 40 -2.743 -7.981 5.724 299 H GLN 41 H GLN 41 -4.825 -4.703 3.819 300 HA GLN 41 HA GLN 41 -6.551 -2.643 2.560 301 HB2 GLN 41 2HB GLN 41 -7.160 -5.152 2.832 302 HB3 GLN 41 3HB GLN 41 -7.490 -4.758 4.516 303 HG2 GLN 41 2HG GLN 41 -8.767 -3.479 2.044 304 HG3 GLN 41 3HG GLN 41 -9.492 -4.752 3.008 305 HE21 GLN 41 1HE2 GLN 41 -9.214 -3.899 5.662 306 HE22 GLN 41 2HE2 GLN 41 -10.005 -2.335 5.804 307 H VAL 42 H VAL 42 -5.241 -3.631 5.767 308 HA VAL 42 HA VAL 42 -6.543 -1.260 6.961 309 HB VAL 42 HB VAL 42 -4.976 -3.562 8.197 310 HG11 VAL 42 1HG1 VAL 42 -4.722 -1.726 9.709 311 HG12 VAL 42 2HG1 VAL 42 -6.376 -1.148 9.418 312 HG13 VAL 42 3HG1 VAL 42 -6.098 -2.645 10.332 313 HG21 VAL 42 1HG2 VAL 42 -7.259 -4.201 9.022 314 HG22 VAL 42 2HG2 VAL 42 -7.949 -2.901 8.029 315 HG23 VAL 42 3HG2 VAL 42 -7.124 -4.280 7.264 316 H CYS 43 H CYS 43 -3.113 -2.506 6.659 317 HA CYS 43 HA CYS 43 -1.808 -0.393 7.928 318 HB2 CYS 43 2HB CYS 43 -0.973 -1.811 5.378 319 HB3 CYS 43 3HB CYS 43 0.050 -0.881 6.470 320 H VAL 44 H VAL 44 -2.867 -0.461 4.495 321 HA VAL 44 HA VAL 44 -1.861 2.011 3.720 322 HB VAL 44 HB VAL 44 -3.809 2.122 2.116 323 HG11 VAL 44 1HG1 VAL 44 -2.313 -0.518 2.372 324 HG12 VAL 44 2HG1 VAL 44 -3.137 0.056 0.910 325 HG13 VAL 44 3HG1 VAL 44 -1.756 0.964 1.558 326 HG21 VAL 44 1HG2 VAL 44 -4.669 -0.484 3.460 327 HG22 VAL 44 2HG2 VAL 44 -5.615 1.021 3.393 328 HG23 VAL 44 3HG2 VAL 44 -5.278 0.129 1.919 329 H ASP 45 H ASP 45 -4.942 1.324 5.420 330 HA ASP 45 HA ASP 45 -5.447 4.164 5.910 331 HB2 ASP 45 2HB ASP 45 -6.941 1.571 6.395 332 HB3 ASP 45 3HB ASP 45 -7.469 3.094 7.109 333 H GLN 46 H GLN 46 -3.021 3.434 6.863 334 HA GLN 46 HA GLN 46 -3.398 4.196 9.642 335 HB2 GLN 46 2HB GLN 46 -3.196 1.692 9.691 336 HB3 GLN 46 3HB GLN 46 -1.566 1.839 9.023 337 HG2 GLN 46 2HG GLN 46 -0.682 2.454 11.018 338 HG3 GLN 46 3HG GLN 46 -1.963 3.626 11.330 339 HE21 GLN 46 1HE2 GLN 46 -3.119 3.190 13.183 340 HE22 GLN 46 2HE2 GLN 46 -3.445 1.564 13.752 341 H ARG 47 H ARG 47 -1.087 3.507 6.943 342 HA ARG 47 HA ARG 47 0.659 5.653 7.989 343 HB2 ARG 47 2HB ARG 47 1.613 3.533 7.292 344 HB3 ARG 47 3HB ARG 47 1.094 3.848 5.617 345 HG2 ARG 47 2HG ARG 47 2.549 5.863 5.558 346 HG3 ARG 47 3HG ARG 47 3.000 5.581 7.255 347 HD2 ARG 47 2HD ARG 47 3.818 3.285 6.529 348 HD3 ARG 47 3HD ARG 47 3.622 3.806 4.849 349 HE ARG 47 HE ARG 47 5.719 4.338 6.726 350 HH11 ARG 47 1HH1 ARG 47 7.375 6.855 4.937 351 HH12 ARG 47 2HH1 ARG 47 7.465 5.746 6.253 352 HH21 ARG 47 1HH2 ARG 47 5.392 6.942 3.614 353 HH22 ARG 47 2HH2 ARG 47 4.091 5.868 4.001 354 H LEU 48 H LEU 48 -1.591 5.105 5.264 355 HA LEU 48 HA LEU 48 -0.679 7.597 3.993 356 HB2 LEU 48 2HB LEU 48 -2.886 5.631 3.271 357 HB3 LEU 48 3HB LEU 48 -2.580 7.109 2.405 358 HG LEU 48 HG LEU 48 -1.627 5.168 1.276 359 HD11 LEU 48 1HD1 LEU 48 0.579 7.019 2.271 360 HD12 LEU 48 2HD1 LEU 48 0.560 6.081 0.768 361 HD13 LEU 48 3HD1 LEU 48 -0.589 7.412 0.993 362 HD21 LEU 48 1HD2 LEU 48 0.461 4.931 3.463 363 HD22 LEU 48 2HD2 LEU 48 -0.978 3.897 3.374 364 HD23 LEU 48 3HD2 LEU 48 0.205 3.886 2.055 365 H ILE 49 H ILE 49 -3.079 6.639 6.350 366 HA ILE 49 HA ILE 49 -5.149 8.381 5.986 367 HB ILE 49 HB ILE 49 -5.437 8.397 8.447 368 HG12 ILE 49 2HG1 ILE 49 -3.658 6.497 9.366 369 HG13 ILE 49 3HG1 ILE 49 -2.589 7.519 8.413 370 HG21 ILE 49 1HG2 ILE 49 -5.782 5.976 8.614 371 HG22 ILE 49 2HG2 ILE 49 -6.292 6.585 7.032 372 HG23 ILE 49 3HG2 ILE 49 -4.741 5.736 7.194 373 HD11 ILE 49 1HD1 ILE 49 -3.368 9.500 9.722 374 HD12 ILE 49 2HD1 ILE 49 -4.429 8.429 10.668 375 HD13 ILE 49 3HD1 ILE 49 -2.665 8.243 10.750 376 H THR 50 H THR 50 -5.578 10.512 6.186 377 HA THR 50 HA THR 50 -5.352 12.727 6.526 378 HB THR 50 HB THR 50 -2.776 12.250 8.070 379 HG1 THR 50 1HG THR 50 -4.416 11.122 9.035 380 HG21 THR 50 1HG2 THR 50 -3.138 14.591 7.405 381 HG22 THR 50 2HG2 THR 50 -4.788 14.531 8.074 382 HG23 THR 50 3HG2 THR 50 -3.380 14.372 9.148 383 H ASN 51 H ASN 51 -2.362 11.000 5.553 384 HA ASN 51 HA ASN 51 -1.443 13.213 3.896 385 HB2 ASN 51 2HB ASN 51 -0.226 10.998 5.068 386 HB3 ASN 51 3HB ASN 51 -0.435 10.446 3.413 387 HD21 ASN 51 1HD2 ASN 51 1.809 11.776 5.337 388 HD22 ASN 51 2HD2 ASN 51 2.623 12.842 4.211 389 H LYS 52 H LYS 52 -0.935 12.332 1.481 390 HA LYS 52 HA LYS 52 -2.700 10.419 0.370 391 HB2 LYS 52 2HB LYS 52 -4.033 12.176 -1.066 392 HB3 LYS 52 3HB LYS 52 -4.602 11.726 0.526 393 HG2 LYS 52 2HG LYS 52 -3.785 13.787 1.497 394 HG3 LYS 52 3HG LYS 52 -2.929 14.218 -0.001 395 HD2 LYS 52 2HD LYS 52 -5.010 14.484 -1.193 396 HD3 LYS 52 3HD LYS 52 -5.941 13.780 0.152 397 HE2 LYS 52 2HE LYS 52 -5.375 15.620 1.622 398 HE3 LYS 52 3HE LYS 52 -4.259 16.301 0.424 399 HZ1 LYS 52 1HZ LYS 52 -6.108 16.715 -1.017 400 HZ2 LYS 52 2HZ LYS 52 -7.173 16.039 0.044 401 HZ3 LYS 52 3HZ LYS 52 -6.390 17.432 0.441 402 H LYS 53 H LYS 53 -0.126 10.293 -0.109 403 HA LYS 53 HA LYS 53 -0.035 10.979 -2.884 404 HB2 LYS 53 2HB LYS 53 2.009 12.350 -2.889 405 HB3 LYS 53 3HB LYS 53 0.616 13.134 -2.177 406 HG2 LYS 53 2HG LYS 53 1.749 12.140 0.111 407 HG3 LYS 53 3HG LYS 53 3.187 12.315 -0.910 408 HD2 LYS 53 2HD LYS 53 2.242 14.680 -1.466 409 HD3 LYS 53 3HD LYS 53 1.159 14.427 -0.080 410 HE2 LYS 53 2HE LYS 53 3.098 14.113 1.400 411 HE3 LYS 53 3HE LYS 53 4.198 14.229 0.012 412 HZ1 LYS 53 1HZ LYS 53 2.460 16.384 1.030 413 HZ2 LYS 53 2HZ LYS 53 4.103 16.321 1.132 414 HZ3 LYS 53 3HZ LYS 53 3.375 16.492 -0.333 415 H CYS 54 H CYS 54 1.209 9.541 -4.017 416 HA CYS 54 HA CYS 54 2.671 7.288 -2.717 417 HB2 CYS 54 2HB CYS 54 1.768 8.111 -5.437 418 HB3 CYS 54 3HB CYS 54 3.413 7.527 -5.367 419 HA PRO 55 HA PRO 55 6.332 10.049 -2.731 420 HB2 PRO 55 2HB PRO 55 8.146 8.469 -1.455 421 HB3 PRO 55 3HB PRO 55 6.767 9.201 -0.585 422 HG2 PRO 55 2HG PRO 55 6.939 6.407 -1.769 423 HG3 PRO 55 3HG PRO 55 6.480 6.863 -0.095 424 HD2 PRO 55 2HD PRO 55 4.612 6.399 -2.032 425 HD3 PRO 55 3HD PRO 55 4.372 7.682 -0.803 426 H ILE 56 H ILE 56 5.568 7.835 -4.861 427 HA ILE 56 HA ILE 56 8.195 7.866 -6.221 428 HB ILE 56 HB ILE 56 6.270 5.543 -5.797 429 HG12 ILE 56 2HG1 ILE 56 9.274 5.341 -5.671 430 HG13 ILE 56 3HG1 ILE 56 8.428 6.101 -4.325 431 HG21 ILE 56 1HG2 ILE 56 7.673 4.242 -7.449 432 HG22 ILE 56 2HG2 ILE 56 6.673 5.483 -8.194 433 HG23 ILE 56 3HG2 ILE 56 8.408 5.775 -7.956 434 HD11 ILE 56 1HD1 ILE 56 7.047 4.134 -3.963 435 HD12 ILE 56 2HD1 ILE 56 7.771 3.317 -5.366 436 HD13 ILE 56 3HD1 ILE 56 8.763 3.686 -3.941 437 H CYS 57 H CYS 57 4.893 6.759 -6.828 438 HA CYS 57 HA CYS 57 4.670 7.826 -9.515 439 HB2 CYS 57 2HB CYS 57 2.089 7.341 -8.681 440 HB3 CYS 57 3HB CYS 57 3.165 6.200 -9.475 441 H ARG 58 H ARG 58 4.089 9.290 -6.373 442 HA ARG 58 HA ARG 58 3.561 11.366 -5.761 443 HB2 ARG 58 2HB ARG 58 5.473 11.654 -7.511 444 HB3 ARG 58 3HB ARG 58 4.203 12.312 -8.548 445 HG2 ARG 58 2HG ARG 58 3.756 13.682 -6.165 446 HG3 ARG 58 3HG ARG 58 5.503 13.446 -6.114 447 HD2 ARG 58 2HD ARG 58 5.717 14.461 -8.349 448 HD3 ARG 58 3HD ARG 58 3.946 14.625 -8.456 449 HE ARG 58 HE ARG 58 4.616 15.908 -6.117 450 HH11 ARG 58 1HH1 ARG 58 5.414 19.104 -7.384 451 HH12 ARG 58 2HH1 ARG 58 4.959 18.206 -5.984 452 HH21 ARG 58 1HH2 ARG 58 5.702 17.978 -9.463 453 HH22 ARG 58 2HH2 ARG 58 5.430 16.271 -9.520 454 H VAL 59 H VAL 59 1.440 9.733 -7.295 455 HA VAL 59 HA VAL 59 -0.466 11.805 -8.111 456 HB VAL 59 HB VAL 59 -0.373 8.789 -7.839 457 HG11 VAL 59 1HG1 VAL 59 -2.633 9.280 -7.081 458 HG12 VAL 59 2HG1 VAL 59 -2.883 10.425 -8.420 459 HG13 VAL 59 3HG1 VAL 59 -2.715 8.684 -8.738 460 HG21 VAL 59 1HG2 VAL 59 0.572 9.852 -9.867 461 HG22 VAL 59 2HG2 VAL 59 -0.848 8.866 -10.253 462 HG23 VAL 59 3HG2 VAL 59 -0.989 10.636 -10.181 463 H ASP 60 H ASP 60 -2.238 12.415 -6.800 464 HA ASP 60 HA ASP 60 -1.968 12.218 -3.967 465 HB2 ASP 60 2HB ASP 60 -4.147 13.185 -5.825 466 HB3 ASP 60 3HB ASP 60 -4.509 12.907 -4.121 467 H ILE 61 H ILE 61 -2.286 10.296 -2.843 468 HA ILE 61 HA ILE 61 -3.528 8.033 -4.000 469 HB ILE 61 HB ILE 61 -3.061 8.656 -1.051 470 HG12 ILE 61 2HG1 ILE 61 -0.943 8.924 -1.989 471 HG13 ILE 61 3HG1 ILE 61 -0.944 7.267 -1.411 472 HG21 ILE 61 1HG2 ILE 61 -2.954 6.286 -0.735 473 HG22 ILE 61 2HG2 ILE 61 -4.476 6.630 -1.573 474 HG23 ILE 61 3HG2 ILE 61 -3.096 6.011 -2.489 475 HD11 ILE 61 1HD1 ILE 61 0.038 7.245 -3.551 476 HD12 ILE 61 2HD1 ILE 61 -1.596 6.620 -3.808 477 HD13 ILE 61 3HD1 ILE 61 -1.206 8.287 -4.255 478 H GLU 62 H GLU 62 -4.639 10.512 -1.782 479 HA GLU 62 HA GLU 62 -6.588 11.032 -0.806 480 HB2 GLU 62 2HB GLU 62 -7.401 11.408 -2.953 481 HB3 GLU 62 3HB GLU 62 -7.689 9.721 -3.300 482 HG2 GLU 62 2HG GLU 62 -9.161 11.145 -1.059 483 HG3 GLU 62 3HG GLU 62 -9.683 11.276 -2.736 484 H ALA 63 H ALA 63 -8.156 10.273 0.706 485 HA ALA 63 HA ALA 63 -8.772 7.552 0.972 486 HB1 ALA 63 1HB ALA 63 -6.886 8.728 3.078 487 HB2 ALA 63 2HB ALA 63 -7.770 7.188 3.239 488 HB3 ALA 63 3HB ALA 63 -6.517 7.362 1.999 489 H GLN 64 H GLN 64 -10.294 7.341 2.906 490 HA GLN 64 HA GLN 64 -11.679 9.949 3.189 491 HB2 GLN 64 2HB GLN 64 -12.776 8.062 2.000 492 HB3 GLN 64 3HB GLN 64 -12.810 7.145 3.514 493 HG2 GLN 64 2HG GLN 64 -14.320 8.687 4.528 494 HG3 GLN 64 3HG GLN 64 -13.943 9.960 3.353 495 HE21 GLN 64 1HE2 GLN 64 -15.700 10.352 2.019 496 HE22 GLN 64 2HE2 GLN 64 -16.695 9.057 1.368 497 H LEU 65 H LEU 65 -10.856 10.877 4.940 498 HA LEU 65 HA LEU 65 -9.754 9.909 7.198 499 HB2 LEU 65 2HB LEU 65 -10.964 12.417 6.398 500 HB3 LEU 65 3HB LEU 65 -11.314 12.135 8.099 501 HG LEU 65 HG LEU 65 -8.496 11.737 7.062 502 HD11 LEU 65 1HD1 LEU 65 -9.148 13.967 6.292 503 HD12 LEU 65 2HD1 LEU 65 -9.753 14.378 7.913 504 HD13 LEU 65 3HD1 LEU 65 -8.018 14.090 7.651 505 HD21 LEU 65 1HD2 LEU 65 -9.114 10.991 9.377 506 HD22 LEU 65 2HD2 LEU 65 -7.926 12.309 9.386 507 HD23 LEU 65 3HD2 LEU 65 -9.629 12.649 9.752 508 HA PRO 66 HA PRO 66 -13.625 9.144 9.717 509 HB2 PRO 66 2HB PRO 66 -16.160 9.540 8.831 510 HB3 PRO 66 3HB PRO 66 -15.115 10.902 9.327 511 HG2 PRO 66 2HG PRO 66 -15.590 9.877 6.505 512 HG3 PRO 66 3HG PRO 66 -15.729 11.562 7.104 513 HD2 PRO 66 2HD PRO 66 -13.467 10.619 5.902 514 HD3 PRO 66 3HD PRO 66 -13.399 11.810 7.233 515 H SER 67 H SER 67 -12.380 7.167 8.587 516 HA SER 67 HA SER 67 -14.244 5.007 8.626 517 HB2 SER 67 2HB SER 67 -13.194 5.901 5.932 518 HB3 SER 67 3HB SER 67 -13.349 4.166 6.261 519 HG SER 67 HG SER 67 -15.442 6.040 6.520 520 H GLU 68 H GLU 68 -12.432 5.009 10.466 521 HA GLU 68 HA GLU 68 -10.401 3.131 9.516 522 HB2 GLU 68 2HB GLU 68 -9.370 5.322 9.003 523 HB3 GLU 68 3HB GLU 68 -9.564 5.834 10.670 524 HG2 GLU 68 2HG GLU 68 -8.204 3.227 10.510 525 HG3 GLU 68 3HG GLU 68 -7.417 4.423 9.483 526 H SER 69 H SER 69 -10.709 5.342 12.285 527 HA SER 69 HA SER 69 -11.516 3.099 14.041 528 HB2 SER 69 2HB SER 69 -10.189 5.761 14.720 529 HB3 SER 69 3HB SER 69 -10.910 4.657 15.908 530 HG SER 69 HG SER 69 -8.759 4.064 14.123 Start of MODEL 23 1 H1 MET 1 H1 MET 1 32.464 -33.710 3.406 2 H2 MET 1 H2 MET 1 34.101 -33.931 3.509 3 H3 MET 1 H3 MET 1 33.240 -33.299 4.780 4 HA MET 1 HA MET 1 34.420 -31.542 3.687 5 HB2 MET 1 2HB MET 1 33.045 -32.782 1.306 6 HB3 MET 1 3HB MET 1 33.358 -31.042 1.285 7 HG2 MET 1 2HG MET 1 35.571 -31.289 1.015 8 HG3 MET 1 3HG MET 1 35.681 -32.522 2.263 9 HE1 MET 1 1HE MET 1 35.284 -31.735 -1.514 10 HE2 MET 1 2HE MET 1 34.914 -33.322 -2.225 11 HE3 MET 1 3HE MET 1 33.699 -32.495 -1.224 12 H LYS 2 H LYS 2 33.079 -29.420 2.806 13 HA LYS 2 HA LYS 2 30.305 -29.529 3.800 14 HB2 LYS 2 2HB LYS 2 32.521 -27.682 4.720 15 HB3 LYS 2 3HB LYS 2 30.946 -26.977 4.362 16 HG2 LYS 2 2HG LYS 2 29.874 -28.656 5.888 17 HG3 LYS 2 3HG LYS 2 31.490 -29.152 6.421 18 HD2 LYS 2 2HD LYS 2 30.590 -26.240 6.468 19 HD3 LYS 2 3HD LYS 2 30.169 -27.322 7.787 20 HE2 LYS 2 2HE LYS 2 33.055 -27.123 6.892 21 HE3 LYS 2 3HE LYS 2 32.359 -25.833 7.881 22 HZ1 LYS 2 1HZ LYS 2 31.813 -27.413 9.558 23 HZ2 LYS 2 2HZ LYS 2 32.348 -28.678 8.653 24 HZ3 LYS 2 3HZ LYS 2 33.412 -27.550 9.214 25 H GLN 3 H GLN 3 29.012 -28.780 2.187 26 HA GLN 3 HA GLN 3 29.680 -26.438 0.654 27 HB2 GLN 3 2HB GLN 3 30.695 -28.413 -0.742 28 HB3 GLN 3 3HB GLN 3 29.026 -28.978 -0.900 29 HG2 GLN 3 2HG GLN 3 28.502 -26.550 -1.722 30 HG3 GLN 3 3HG GLN 3 30.256 -26.357 -1.843 31 HE21 GLN 3 1HE2 GLN 3 30.593 -26.336 -4.116 32 HE22 GLN 3 2HE2 GLN 3 29.966 -27.616 -5.147 33 H ASP 4 H ASP 4 27.932 -25.366 1.294 34 HA ASP 4 HA ASP 4 25.587 -26.383 0.091 35 HB2 ASP 4 2HB ASP 4 25.622 -27.109 2.710 36 HB3 ASP 4 3HB ASP 4 25.015 -25.458 2.897 37 H GLY 5 H GLY 5 24.401 -24.703 -0.503 38 HA2 GLY 5 2HA GLY 5 25.457 -21.920 0.000 39 HA3 GLY 5 3HA GLY 5 24.777 -22.427 -1.561 40 H GLU 6 H GLU 6 23.552 -20.208 -0.525 41 HA GLU 6 HA GLU 6 20.947 -21.276 0.272 42 HB2 GLU 6 2HB GLU 6 20.751 -19.416 1.956 43 HB3 GLU 6 3HB GLU 6 21.786 -20.763 2.427 44 HG2 GLU 6 2HG GLU 6 23.809 -19.467 1.889 45 HG3 GLU 6 3HG GLU 6 22.823 -18.103 1.348 46 H GLU 7 H GLU 7 19.400 -20.287 -0.988 47 HA GLU 7 HA GLU 7 19.693 -17.554 -1.696 48 HB2 GLU 7 2HB GLU 7 20.969 -19.173 -3.524 49 HB3 GLU 7 3HB GLU 7 19.332 -19.159 -4.195 50 HG2 GLU 7 2HG GLU 7 19.362 -16.643 -4.070 51 HG3 GLU 7 3HG GLU 7 21.006 -16.714 -3.436 52 H GLY 8 H GLY 8 17.624 -17.141 -3.320 53 HA2 GLY 8 2HA GLY 8 15.407 -18.978 -2.716 54 HA3 GLY 8 3HA GLY 8 15.302 -17.380 -1.945 55 H THR 9 H THR 9 16.286 -15.701 -3.960 56 HA THR 9 HA THR 9 15.728 -14.574 -5.714 57 HB THR 9 HB THR 9 17.026 -16.381 -6.696 58 HG1 THR 9 1HG THR 9 16.676 -15.647 -8.643 59 HG21 THR 9 1HG2 THR 9 14.340 -17.616 -7.354 60 HG22 THR 9 2HG2 THR 9 15.825 -17.959 -8.272 61 HG23 THR 9 3HG2 THR 9 15.747 -18.362 -6.556 62 H GLU 10 H GLU 10 13.943 -15.014 -7.767 63 HA GLU 10 HA GLU 10 11.833 -14.398 -8.340 64 HB2 GLU 10 2HB GLU 10 11.729 -16.894 -7.145 65 HB3 GLU 10 3HB GLU 10 10.483 -16.040 -6.263 66 HG2 GLU 10 2HG GLU 10 9.403 -17.029 -8.136 67 HG3 GLU 10 3HG GLU 10 9.562 -15.324 -8.577 68 H GLU 11 H GLU 11 9.450 -14.238 -6.584 69 HA GLU 11 HA GLU 11 8.247 -12.525 -5.784 70 HB2 GLU 11 2HB GLU 11 10.146 -13.507 -3.666 71 HB3 GLU 11 3HB GLU 11 8.997 -12.225 -3.280 72 HG2 GLU 11 2HG GLU 11 8.016 -14.329 -2.684 73 HG3 GLU 11 3HG GLU 11 7.109 -13.589 -4.002 74 H ASP 12 H ASP 12 8.268 -10.476 -6.702 75 HA ASP 12 HA ASP 12 10.109 -8.552 -5.449 76 HB2 ASP 12 2HB ASP 12 11.083 -9.198 -7.667 77 HB3 ASP 12 3HB ASP 12 9.613 -8.564 -8.435 78 H THR 13 H THR 13 9.017 -6.674 -4.975 79 HA THR 13 HA THR 13 6.984 -6.087 -3.814 80 HB THR 13 HB THR 13 7.198 -5.049 -6.654 81 HG1 THR 13 1HG THR 13 8.110 -3.963 -4.208 82 HG21 THR 13 1HG2 THR 13 5.124 -4.079 -5.957 83 HG22 THR 13 2HG2 THR 13 5.680 -3.887 -4.277 84 HG23 THR 13 3HG2 THR 13 6.347 -2.873 -5.583 85 H GLU 14 H GLU 14 6.378 -8.779 -4.613 86 HA GLU 14 HA GLU 14 3.911 -8.721 -6.055 87 HB2 GLU 14 2HB GLU 14 5.867 -10.592 -5.594 88 HB3 GLU 14 3HB GLU 14 4.647 -11.155 -4.472 89 HG2 GLU 14 2HG GLU 14 4.188 -12.272 -6.516 90 HG3 GLU 14 3HG GLU 14 2.976 -10.985 -6.447 91 H GLU 15 H GLU 15 4.432 -10.068 -2.721 92 HA GLU 15 HA GLU 15 2.052 -8.510 -1.818 93 HB2 GLU 15 2HB GLU 15 2.487 -11.516 -1.554 94 HB3 GLU 15 3HB GLU 15 1.419 -10.589 -0.525 95 HG2 GLU 15 2HG GLU 15 -0.052 -11.387 -2.063 96 HG3 GLU 15 3HG GLU 15 0.217 -9.724 -2.565 97 H LYS 16 H LYS 16 4.132 -7.276 -1.208 98 HA LYS 16 HA LYS 16 5.066 -8.189 1.498 99 HB2 LYS 16 2HB LYS 16 6.696 -6.700 -0.597 100 HB3 LYS 16 3HB LYS 16 7.247 -7.253 0.990 101 HG2 LYS 16 2HG LYS 16 6.750 -9.597 0.269 102 HG3 LYS 16 3HG LYS 16 6.346 -9.048 -1.320 103 HD2 LYS 16 2HD LYS 16 9.078 -8.557 -0.064 104 HD3 LYS 16 3HD LYS 16 8.650 -10.079 -0.855 105 HE2 LYS 16 2HE LYS 16 8.021 -8.745 -2.917 106 HE3 LYS 16 3HE LYS 16 8.768 -7.333 -2.154 107 HZ1 LYS 16 1HZ LYS 16 10.841 -8.678 -2.021 108 HZ2 LYS 16 2HZ LYS 16 10.099 -9.912 -2.821 109 HZ3 LYS 16 3HZ LYS 16 10.345 -8.523 -3.579 110 H CYS 17 H CYS 17 4.301 -6.862 2.971 111 HA CYS 17 HA CYS 17 3.036 -4.249 2.490 112 HB2 CYS 17 2HB CYS 17 2.613 -6.292 4.204 113 HB3 CYS 17 3HB CYS 17 3.726 -5.371 5.196 114 H THR 18 H THR 18 4.536 -2.606 1.926 115 HA THR 18 HA THR 18 7.015 -2.484 3.566 116 HB THR 18 HB THR 18 7.732 -0.911 1.754 117 HG1 THR 18 1HG THR 18 6.437 -1.020 -0.149 118 HG21 THR 18 1HG2 THR 18 6.831 -3.660 0.736 119 HG22 THR 18 2HG2 THR 18 8.159 -2.681 0.105 120 HG23 THR 18 3HG2 THR 18 8.275 -3.386 1.725 121 H ILE 19 H ILE 19 4.184 -1.804 4.395 122 HA ILE 19 HA ILE 19 4.711 0.935 5.397 123 HB ILE 19 HB ILE 19 2.146 -0.634 5.336 124 HG12 ILE 19 2HG1 ILE 19 3.426 1.389 3.490 125 HG13 ILE 19 3HG1 ILE 19 2.631 -0.172 3.132 126 HG21 ILE 19 1HG2 ILE 19 1.428 1.839 5.999 127 HG22 ILE 19 2HG2 ILE 19 1.976 0.678 7.190 128 HG23 ILE 19 3HG2 ILE 19 3.107 1.890 6.598 129 HD11 ILE 19 1HD1 ILE 19 1.373 1.663 2.334 130 HD12 ILE 19 2HD1 ILE 19 0.521 0.697 3.549 131 HD13 ILE 19 3HD1 ILE 19 1.214 2.299 3.969 132 H CYS 20 H CYS 20 3.064 -2.090 6.351 133 HA CYS 20 HA CYS 20 3.731 -1.889 9.215 134 HB2 CYS 20 2HB CYS 20 2.551 -4.334 8.773 135 HB3 CYS 20 3HB CYS 20 1.729 -2.851 9.208 136 H LEU 21 H LEU 21 5.754 -2.564 6.783 137 HA LEU 21 HA LEU 21 7.531 -3.926 6.430 138 HB2 LEU 21 2HB LEU 21 7.710 -3.280 9.390 139 HB3 LEU 21 3HB LEU 21 9.045 -3.977 8.470 140 HG LEU 21 HG LEU 21 7.714 -1.334 7.725 141 HD11 LEU 21 1HD1 LEU 21 9.699 -0.266 8.734 142 HD12 LEU 21 2HD1 LEU 21 8.756 -1.155 9.941 143 HD13 LEU 21 3HD1 LEU 21 10.265 -1.853 9.309 144 HD21 LEU 21 1HD2 LEU 21 9.831 -1.010 6.439 145 HD22 LEU 21 2HD2 LEU 21 10.326 -2.662 6.863 146 HD23 LEU 21 3HD2 LEU 21 8.898 -2.382 5.839 147 H SER 22 H SER 22 5.718 -5.619 6.096 148 HA SER 22 HA SER 22 6.688 -8.085 7.325 149 HB2 SER 22 2HB SER 22 4.081 -8.652 7.633 150 HB3 SER 22 3HB SER 22 5.048 -7.941 8.933 151 HG SER 22 HG SER 22 4.245 -5.969 8.500 152 H ILE 23 H ILE 23 5.932 -9.956 6.049 153 HA ILE 23 HA ILE 23 5.226 -9.240 3.259 154 HB ILE 23 HB ILE 23 6.015 -11.942 4.425 155 HG12 ILE 23 2HG1 ILE 23 7.896 -10.558 4.999 156 HG13 ILE 23 3HG1 ILE 23 8.320 -11.512 3.593 157 HG21 ILE 23 1HG2 ILE 23 5.835 -10.691 1.677 158 HG22 ILE 23 2HG2 ILE 23 6.718 -12.215 1.967 159 HG23 ILE 23 3HG2 ILE 23 4.989 -12.066 2.286 160 HD11 ILE 23 1HD1 ILE 23 9.135 -9.186 3.426 161 HD12 ILE 23 2HD1 ILE 23 8.000 -9.567 2.125 162 HD13 ILE 23 3HD1 ILE 23 7.478 -8.575 3.506 163 H LEU 24 H LEU 24 3.389 -10.603 2.359 164 HA LEU 24 HA LEU 24 1.331 -11.020 4.439 165 HB2 LEU 24 2HB LEU 24 1.033 -10.345 1.507 166 HB3 LEU 24 3HB LEU 24 -0.249 -10.397 2.692 167 HG LEU 24 HG LEU 24 2.148 -8.486 2.810 168 HD11 LEU 24 1HD1 LEU 24 0.960 -8.298 0.698 169 HD12 LEU 24 2HD1 LEU 24 -0.576 -8.060 1.554 170 HD13 LEU 24 3HD1 LEU 24 0.737 -6.851 1.699 171 HD21 LEU 24 1HD2 LEU 24 0.616 -7.150 4.222 172 HD22 LEU 24 2HD2 LEU 24 -0.594 -8.431 4.125 173 HD23 LEU 24 3HD2 LEU 24 0.963 -8.748 4.929 174 H GLU 25 H GLU 25 1.392 -12.181 1.093 175 HA GLU 25 HA GLU 25 1.600 -14.133 0.080 176 HB2 GLU 25 2HB GLU 25 2.402 -15.571 2.603 177 HB3 GLU 25 3HB GLU 25 2.761 -15.941 0.904 178 HG2 GLU 25 2HG GLU 25 3.987 -13.655 0.886 179 HG3 GLU 25 3HG GLU 25 3.877 -13.772 2.662 180 H GLU 26 H GLU 26 -0.574 -14.134 -0.426 181 HA GLU 26 HA GLU 26 -2.770 -14.232 -0.189 182 HB2 GLU 26 2HB GLU 26 -1.816 -16.997 0.556 183 HB3 GLU 26 3HB GLU 26 -3.535 -16.628 0.623 184 HG2 GLU 26 2HG GLU 26 -3.113 -17.516 -1.535 185 HG3 GLU 26 3HG GLU 26 -3.482 -15.803 -1.713 186 H GLY 27 H GLY 27 -4.681 -15.124 1.466 187 HA2 GLY 27 2HA GLY 27 -5.624 -14.982 3.568 188 HA3 GLY 27 3HA GLY 27 -4.037 -14.602 4.252 189 H GLU 28 H GLU 28 -3.227 -12.277 3.231 190 HA GLU 28 HA GLU 28 -4.978 -10.434 4.600 191 HB2 GLU 28 2HB GLU 28 -2.389 -10.186 3.050 192 HB3 GLU 28 3HB GLU 28 -3.093 -8.840 3.926 193 HG2 GLU 28 2HG GLU 28 -2.613 -11.431 5.436 194 HG3 GLU 28 3HG GLU 28 -1.237 -10.408 5.054 195 H ASP 29 H ASP 29 -6.065 -8.659 3.750 196 HA ASP 29 HA ASP 29 -7.009 -8.792 1.032 197 HB2 ASP 29 2HB ASP 29 -7.266 -6.718 3.248 198 HB3 ASP 29 3HB ASP 29 -7.989 -6.511 1.646 199 H VAL 30 H VAL 30 -6.595 -7.373 -0.652 200 HA VAL 30 HA VAL 30 -4.195 -5.614 -0.417 201 HB VAL 30 HB VAL 30 -3.664 -6.170 -2.735 202 HG11 VAL 30 1HG1 VAL 30 -2.794 -8.417 -2.358 203 HG12 VAL 30 2HG1 VAL 30 -2.672 -7.483 -0.854 204 HG13 VAL 30 3HG1 VAL 30 -3.954 -8.697 -1.048 205 HG21 VAL 30 1HG2 VAL 30 -5.870 -6.799 -3.639 206 HG22 VAL 30 2HG2 VAL 30 -4.710 -8.112 -3.869 207 HG23 VAL 30 3HG2 VAL 30 -5.920 -8.226 -2.580 208 H ARG 31 H ARG 31 -4.498 -3.499 -1.162 209 HA ARG 31 HA ARG 31 -7.057 -2.955 -2.593 210 HB2 ARG 31 2HB ARG 31 -7.219 -2.829 -0.024 211 HB3 ARG 31 3HB ARG 31 -6.234 -1.377 -0.121 212 HG2 ARG 31 2HG ARG 31 -8.915 -1.847 -1.519 213 HG3 ARG 31 3HG ARG 31 -8.688 -0.968 -0.007 214 HD2 ARG 31 2HD ARG 31 -7.225 0.686 -1.252 215 HD3 ARG 31 3HD ARG 31 -7.638 -0.157 -2.747 216 HE ARG 31 HE ARG 31 -9.693 0.792 -2.771 217 HH11 ARG 31 1HH1 ARG 31 -11.329 2.897 -0.473 218 HH12 ARG 31 2HH1 ARG 31 -11.375 2.234 -2.063 219 HH21 ARG 31 1HH2 ARG 31 -9.565 2.322 1.011 220 HH22 ARG 31 2HH2 ARG 31 -8.325 1.264 0.450 221 H ARG 32 H ARG 32 -5.430 -2.761 -4.344 222 HA ARG 32 HA ARG 32 -3.262 -0.954 -4.212 223 HB2 ARG 32 2HB ARG 32 -3.204 -1.048 -6.672 224 HB3 ARG 32 3HB ARG 32 -3.327 -2.645 -5.922 225 HG2 ARG 32 2HG ARG 32 -4.939 -3.018 -7.395 226 HG3 ARG 32 3HG ARG 32 -5.999 -2.086 -6.353 227 HD2 ARG 32 2HD ARG 32 -5.453 -0.034 -7.737 228 HD3 ARG 32 3HD ARG 32 -4.413 -1.040 -8.743 229 HE ARG 32 HE ARG 32 -6.220 -1.938 -9.795 230 HH11 ARG 32 1HH1 ARG 32 -9.676 -1.536 -9.262 231 HH12 ARG 32 2HH1 ARG 32 -8.463 -2.191 -10.295 232 HH21 ARG 32 1HH2 ARG 32 -9.021 -0.358 -7.288 233 HH22 ARG 32 2HH2 ARG 32 -7.336 -0.207 -6.909 234 H LEU 33 H LEU 33 -3.101 1.145 -4.253 235 HA LEU 33 HA LEU 33 -5.374 2.808 -4.294 236 HB2 LEU 33 2HB LEU 33 -2.328 3.223 -4.317 237 HB3 LEU 33 3HB LEU 33 -3.436 4.557 -4.222 238 HG LEU 33 HG LEU 33 -2.802 4.170 -2.013 239 HD11 LEU 33 1HD1 LEU 33 -4.819 3.721 -0.864 240 HD12 LEU 33 2HD1 LEU 33 -5.385 4.217 -2.457 241 HD13 LEU 33 3HD1 LEU 33 -5.339 2.496 -2.036 242 HD21 LEU 33 1HD2 LEU 33 -2.608 2.114 -0.875 243 HD22 LEU 33 2HD2 LEU 33 -3.397 1.205 -2.150 244 HD23 LEU 33 3HD2 LEU 33 -1.795 1.905 -2.445 245 HA PRO 34 HA PRO 34 -5.649 3.909 -8.497 246 HB2 PRO 34 2HB PRO 34 -6.147 6.623 -8.481 247 HB3 PRO 34 3HB PRO 34 -7.323 5.379 -7.954 248 HG2 PRO 34 2HG PRO 34 -5.434 7.001 -6.220 249 HG3 PRO 34 3HG PRO 34 -7.193 6.735 -5.989 250 HD2 PRO 34 2HD PRO 34 -5.393 5.247 -4.658 251 HD3 PRO 34 3HD PRO 34 -6.854 4.476 -5.334 252 H CYS 35 H CYS 35 -2.980 5.209 -6.639 253 HA CYS 35 HA CYS 35 -1.696 6.505 -9.025 254 HB2 CYS 35 2HB CYS 35 -0.279 7.448 -7.515 255 HB3 CYS 35 3HB CYS 35 -1.795 7.443 -6.598 256 H MET 36 H MET 36 -2.296 3.513 -8.817 257 HA MET 36 HA MET 36 -1.389 1.511 -8.804 258 HB2 MET 36 2HB MET 36 0.480 3.017 -10.646 259 HB3 MET 36 3HB MET 36 0.766 1.310 -10.267 260 HG2 MET 36 2HG MET 36 -1.551 0.764 -10.928 261 HG3 MET 36 3HG MET 36 -1.783 2.432 -11.469 262 HE1 MET 36 1HE MET 36 -1.197 -0.520 -14.389 263 HE2 MET 36 2HE MET 36 -1.430 -0.936 -12.678 264 HE3 MET 36 3HE MET 36 -2.498 0.259 -13.457 265 H HIS 37 H HIS 37 -1.085 1.483 -6.530 266 HA HIS 37 HA HIS 37 1.692 0.770 -6.022 267 HB2 HIS 37 1HB HIS 37 0.414 3.170 -4.778 268 HB3 HIS 37 2HB HIS 37 1.220 2.065 -3.670 269 HD2 HIS 37 2HD HIS 37 3.798 1.530 -3.995 270 HE1 HIS 37 1HE HIS 37 4.718 4.751 -6.620 271 HE2 HIS 37 2HE HIS 37 5.711 2.908 -5.149 272 H LEU 38 H LEU 38 1.653 -1.186 -5.083 273 HA LEU 38 HA LEU 38 -0.759 -2.483 -4.156 274 HB2 LEU 38 2HB LEU 38 1.070 -3.760 -5.230 275 HB3 LEU 38 3HB LEU 38 2.240 -3.053 -4.121 276 HG LEU 38 HG LEU 38 0.874 -4.255 -2.212 277 HD11 LEU 38 1HD1 LEU 38 -1.050 -4.876 -3.679 278 HD12 LEU 38 2HD1 LEU 38 0.055 -5.899 -4.633 279 HD13 LEU 38 3HD1 LEU 38 -0.259 -6.282 -2.933 280 HD21 LEU 38 1HD2 LEU 38 2.227 -6.253 -2.550 281 HD22 LEU 38 2HD2 LEU 38 2.565 -5.743 -4.219 282 HD23 LEU 38 3HD2 LEU 38 3.155 -4.770 -2.852 283 H PHE 39 H PHE 39 -1.466 -2.453 -2.003 284 HA PHE 39 HA PHE 39 0.485 -2.547 0.046 285 HB2 PHE 39 2HB PHE 39 -1.427 -0.190 -0.036 286 HB3 PHE 39 3HB PHE 39 -0.682 -0.761 1.459 287 HD1 PHE 39 1HD PHE 39 -0.413 1.830 -0.740 288 HD2 PHE 39 2HD PHE 39 2.080 -1.227 0.979 289 HE1 PHE 39 1HE PHE 39 1.581 3.219 -1.185 290 HE2 PHE 39 2HE PHE 39 4.065 0.187 0.575 291 HZ PHE 39 HZ PHE 39 3.836 2.395 -0.529 292 H HIS 40 H HIS 40 -0.413 -3.478 1.886 293 HA HIS 40 HA HIS 40 -2.766 -5.148 1.614 294 HB2 HIS 40 1HB HIS 40 -1.090 -6.014 2.946 295 HB3 HIS 40 2HB HIS 40 -0.648 -4.497 3.621 296 HD2 HIS 40 2HD HIS 40 -4.056 -6.350 3.922 297 HE1 HIS 40 1HE HIS 40 -2.114 -6.668 7.639 298 HE2 HIS 40 2HE HIS 40 -4.140 -7.278 6.350 299 H GLN 41 H GLN 41 -4.800 -4.807 2.579 300 HA GLN 41 HA GLN 41 -5.663 -2.187 2.560 301 HB2 GLN 41 2HB GLN 41 -6.913 -4.434 2.329 302 HB3 GLN 41 3HB GLN 41 -7.146 -4.375 4.074 303 HG2 GLN 41 2HG GLN 41 -7.927 -2.038 2.278 304 HG3 GLN 41 3HG GLN 41 -8.957 -3.460 2.375 305 HE21 GLN 41 1HE2 GLN 41 -9.354 -4.196 4.876 306 HE22 GLN 41 2HE2 GLN 41 -9.863 -2.820 5.844 307 H VAL 42 H VAL 42 -4.598 -4.068 5.426 308 HA VAL 42 HA VAL 42 -5.282 -1.874 7.226 309 HB VAL 42 HB VAL 42 -3.368 -4.170 7.716 310 HG11 VAL 42 1HG1 VAL 42 -4.953 -2.412 9.629 311 HG12 VAL 42 2HG1 VAL 42 -3.949 -3.805 10.094 312 HG13 VAL 42 3HG1 VAL 42 -3.195 -2.370 9.386 313 HG21 VAL 42 1HG2 VAL 42 -6.373 -4.003 8.233 314 HG22 VAL 42 2HG2 VAL 42 -5.589 -5.091 7.073 315 HG23 VAL 42 3HG2 VAL 42 -5.309 -5.305 8.802 316 H CYS 43 H CYS 43 -2.303 -2.865 5.348 317 HA CYS 43 HA CYS 43 -0.390 -1.215 6.748 318 HB2 CYS 43 2HB CYS 43 -0.729 -2.465 4.017 319 HB3 CYS 43 3HB CYS 43 0.507 -1.306 4.261 320 H VAL 44 H VAL 44 -2.128 -0.587 3.708 321 HA VAL 44 HA VAL 44 -1.298 2.027 3.409 322 HB VAL 44 HB VAL 44 -2.390 0.946 1.625 323 HG11 VAL 44 1HG1 VAL 44 -5.196 1.104 2.605 324 HG12 VAL 44 2HG1 VAL 44 -4.398 -0.082 1.546 325 HG13 VAL 44 3HG1 VAL 44 -4.204 -0.172 3.297 326 HG21 VAL 44 1HG2 VAL 44 -4.048 2.583 0.861 327 HG22 VAL 44 2HG2 VAL 44 -4.157 3.270 2.483 328 HG23 VAL 44 3HG2 VAL 44 -2.629 3.376 1.579 329 H ASP 45 H ASP 45 -4.082 0.862 5.386 330 HA ASP 45 HA ASP 45 -4.800 3.562 6.182 331 HB2 ASP 45 2HB ASP 45 -6.379 1.583 5.882 332 HB3 ASP 45 3HB ASP 45 -5.726 0.928 7.387 333 H GLN 46 H GLN 46 -2.074 2.961 6.704 334 HA GLN 46 HA GLN 46 -2.014 3.514 9.608 335 HB2 GLN 46 2HB GLN 46 -1.312 1.068 8.837 336 HB3 GLN 46 3HB GLN 46 0.152 1.862 8.271 337 HG2 GLN 46 2HG GLN 46 0.706 1.152 10.428 338 HG3 GLN 46 3HG GLN 46 0.329 2.864 10.657 339 HE21 GLN 46 1HE2 GLN 46 -1.141 -0.453 10.838 340 HE22 GLN 46 2HE2 GLN 46 -2.242 -0.012 12.137 341 H ARG 47 H ARG 47 0.046 3.352 6.637 342 HA ARG 47 HA ARG 47 1.501 5.751 7.480 343 HB2 ARG 47 2HB ARG 47 2.549 3.876 6.356 344 HB3 ARG 47 3HB ARG 47 1.621 4.188 4.881 345 HG2 ARG 47 2HG ARG 47 2.855 6.325 4.604 346 HG3 ARG 47 3HG ARG 47 3.709 6.007 6.138 347 HD2 ARG 47 2HD ARG 47 4.390 3.745 5.102 348 HD3 ARG 47 3HD ARG 47 3.838 4.396 3.548 349 HE ARG 47 HE ARG 47 5.552 6.314 4.503 350 HH11 ARG 47 1HH1 ARG 47 8.726 4.919 3.888 351 HH12 ARG 47 2HH1 ARG 47 7.856 6.361 4.254 352 HH21 ARG 47 1HH2 ARG 47 7.571 2.839 3.711 353 HH22 ARG 47 2HH2 ARG 47 5.880 2.803 3.882 354 H LEU 48 H LEU 48 -1.242 5.126 5.268 355 HA LEU 48 HA LEU 48 -1.029 7.929 4.289 356 HB2 LEU 48 2HB LEU 48 -2.828 5.635 3.417 357 HB3 LEU 48 3HB LEU 48 -2.865 7.257 2.765 358 HG LEU 48 HG LEU 48 -1.724 5.849 1.239 359 HD11 LEU 48 1HD1 LEU 48 0.367 7.601 2.593 360 HD12 LEU 48 2HD1 LEU 48 0.335 7.077 0.900 361 HD13 LEU 48 3HD1 LEU 48 -0.909 8.189 1.501 362 HD21 LEU 48 1HD2 LEU 48 0.205 4.559 1.611 363 HD22 LEU 48 2HD2 LEU 48 0.518 5.291 3.189 364 HD23 LEU 48 3HD2 LEU 48 -0.855 4.182 2.981 365 H ILE 49 H ILE 49 -1.756 7.188 7.131 366 HA ILE 49 HA ILE 49 -4.530 7.981 7.411 367 HB ILE 49 HB ILE 49 -2.141 7.885 9.292 368 HG12 ILE 49 2HG1 ILE 49 -3.065 5.710 8.530 369 HG13 ILE 49 3HG1 ILE 49 -3.218 5.967 10.263 370 HG21 ILE 49 1HG2 ILE 49 -3.492 9.626 10.218 371 HG22 ILE 49 2HG2 ILE 49 -4.994 8.732 9.912 372 HG23 ILE 49 3HG2 ILE 49 -3.840 8.163 11.141 373 HD11 ILE 49 1HD1 ILE 49 -5.230 4.929 9.410 374 HD12 ILE 49 2HD1 ILE 49 -5.641 6.569 9.910 375 HD13 ILE 49 3HD1 ILE 49 -5.437 6.179 8.181 376 H THR 50 H THR 50 -1.498 9.804 8.259 377 HA THR 50 HA THR 50 -2.971 12.288 7.862 378 HB THR 50 HB THR 50 -0.075 11.909 8.691 379 HG1 THR 50 1HG THR 50 -2.342 11.840 10.378 380 HG21 THR 50 1HG2 THR 50 -0.698 14.269 8.469 381 HG22 THR 50 2HG2 THR 50 -2.202 14.001 9.375 382 HG23 THR 50 3HG2 THR 50 -0.625 13.863 10.185 383 H ASN 51 H ASN 51 -2.498 10.776 5.357 384 HA ASN 51 HA ASN 51 -1.464 13.010 3.848 385 HB2 ASN 51 2HB ASN 51 0.654 11.735 4.455 386 HB3 ASN 51 3HB ASN 51 -0.014 10.336 3.598 387 HD21 ASN 51 1HD2 ASN 51 2.172 10.757 2.400 388 HD22 ASN 51 2HD2 ASN 51 2.048 11.833 1.020 389 H LYS 52 H LYS 52 -2.046 12.679 1.522 390 HA LYS 52 HA LYS 52 -3.106 10.118 0.722 391 HB2 LYS 52 2HB LYS 52 -4.942 12.567 0.672 392 HB3 LYS 52 3HB LYS 52 -5.100 11.214 -0.443 393 HG2 LYS 52 2HG LYS 52 -6.519 10.386 1.112 394 HG3 LYS 52 3HG LYS 52 -5.035 9.769 1.802 395 HD2 LYS 52 2HD LYS 52 -5.089 12.182 3.031 396 HD3 LYS 52 3HD LYS 52 -6.822 12.015 2.713 397 HE2 LYS 52 2HE LYS 52 -6.804 9.766 3.790 398 HE3 LYS 52 3HE LYS 52 -5.062 9.906 4.064 399 HZ1 LYS 52 1HZ LYS 52 -5.528 11.830 5.466 400 HZ2 LYS 52 2HZ LYS 52 -7.162 11.551 5.328 401 HZ3 LYS 52 3HZ LYS 52 -6.132 10.456 6.036 402 H LYS 53 H LYS 53 -0.944 10.417 -0.322 403 HA LYS 53 HA LYS 53 -1.369 11.409 -2.928 404 HB2 LYS 53 2HB LYS 53 -0.286 13.386 -1.168 405 HB3 LYS 53 3HB LYS 53 1.051 12.848 -2.193 406 HG2 LYS 53 2HG LYS 53 -0.055 13.424 -4.191 407 HG3 LYS 53 3HG LYS 53 -1.636 13.543 -3.430 408 HD2 LYS 53 2HD LYS 53 0.410 15.403 -2.312 409 HD3 LYS 53 3HD LYS 53 -0.034 15.682 -3.998 410 HE2 LYS 53 2HE LYS 53 -1.444 16.994 -2.421 411 HE3 LYS 53 3HE LYS 53 -2.358 15.924 -3.496 412 HZ1 LYS 53 1HZ LYS 53 -1.781 15.299 -0.665 413 HZ2 LYS 53 2HZ LYS 53 -3.233 15.783 -1.363 414 HZ3 LYS 53 3HZ LYS 53 -2.653 14.391 -1.776 415 H CYS 54 H CYS 54 0.367 10.708 -4.357 416 HA CYS 54 HA CYS 54 1.804 8.281 -3.373 417 HB2 CYS 54 2HB CYS 54 0.346 8.541 -5.469 418 HB3 CYS 54 3HB CYS 54 1.637 9.534 -6.127 419 HA PRO 55 HA PRO 55 5.367 11.187 -3.232 420 HB2 PRO 55 2HB PRO 55 6.914 9.982 -1.369 421 HB3 PRO 55 3HB PRO 55 5.349 10.711 -0.915 422 HG2 PRO 55 2HG PRO 55 5.888 7.790 -1.579 423 HG3 PRO 55 3HG PRO 55 5.099 8.456 -0.110 424 HD2 PRO 55 2HD PRO 55 3.661 7.587 -2.278 425 HD3 PRO 55 3HD PRO 55 3.137 8.981 -1.283 426 H ILE 56 H ILE 56 5.137 9.756 -5.466 427 HA ILE 56 HA ILE 56 7.783 8.852 -6.211 428 HB ILE 56 HB ILE 56 5.446 6.873 -6.150 429 HG12 ILE 56 2HG1 ILE 56 6.793 6.799 -4.087 430 HG13 ILE 56 3HG1 ILE 56 6.825 5.311 -4.995 431 HG21 ILE 56 1HG2 ILE 56 8.046 6.684 -7.713 432 HG22 ILE 56 2HG2 ILE 56 6.998 5.286 -7.383 433 HG23 ILE 56 3HG2 ILE 56 6.391 6.631 -8.348 434 HD11 ILE 56 1HD1 ILE 56 9.066 7.342 -5.300 435 HD12 ILE 56 2HD1 ILE 56 9.059 6.106 -4.031 436 HD13 ILE 56 3HD1 ILE 56 9.055 5.618 -5.735 437 H CYS 57 H CYS 57 4.316 8.668 -6.906 438 HA CYS 57 HA CYS 57 4.432 9.497 -9.755 439 HB2 CYS 57 2HB CYS 57 1.929 8.617 -9.214 440 HB3 CYS 57 3HB CYS 57 3.233 7.553 -9.698 441 H ARG 58 H ARG 58 1.768 10.539 -9.300 442 HA ARG 58 HA ARG 58 1.956 12.589 -7.264 443 HB2 ARG 58 2HB ARG 58 3.418 13.547 -9.155 444 HB3 ARG 58 3HB ARG 58 1.945 13.663 -10.124 445 HG2 ARG 58 2HG ARG 58 0.953 14.982 -8.084 446 HG3 ARG 58 3HG ARG 58 2.617 15.023 -7.488 447 HD2 ARG 58 2HD ARG 58 2.946 15.877 -10.093 448 HD3 ARG 58 3HD ARG 58 1.320 16.489 -9.732 449 HE ARG 58 HE ARG 58 3.112 17.099 -7.591 450 HH11 ARG 58 1HH1 ARG 58 4.128 20.272 -8.748 451 HH12 ARG 58 2HH1 ARG 58 4.151 19.174 -7.418 452 HH21 ARG 58 1HH2 ARG 58 3.073 19.638 -10.783 453 HH22 ARG 58 2HH2 ARG 58 2.327 18.082 -10.879 454 H VAL 59 H VAL 59 0.071 11.145 -6.916 455 HA VAL 59 HA VAL 59 -2.338 12.196 -8.261 456 HB VAL 59 HB VAL 59 -1.496 9.290 -7.965 457 HG11 VAL 59 1HG1 VAL 59 -3.753 8.674 -8.834 458 HG12 VAL 59 2HG1 VAL 59 -3.805 9.362 -7.213 459 HG13 VAL 59 3HG1 VAL 59 -4.272 10.360 -8.611 460 HG21 VAL 59 1HG2 VAL 59 -2.406 10.912 -10.372 461 HG22 VAL 59 2HG2 VAL 59 -0.758 10.332 -10.058 462 HG23 VAL 59 3HG2 VAL 59 -2.047 9.173 -10.383 463 H ASP 60 H ASP 60 -3.953 12.529 -6.734 464 HA ASP 60 HA ASP 60 -3.313 12.179 -3.917 465 HB2 ASP 60 2HB ASP 60 -5.686 13.245 -5.472 466 HB3 ASP 60 3HB ASP 60 -5.802 12.878 -3.743 467 H ILE 61 H ILE 61 -3.720 10.394 -2.765 468 HA ILE 61 HA ILE 61 -4.638 8.015 -4.077 469 HB ILE 61 HB ILE 61 -4.105 8.588 -1.132 470 HG12 ILE 61 2HG1 ILE 61 -2.136 9.284 -2.239 471 HG13 ILE 61 3HG1 ILE 61 -1.801 7.700 -1.567 472 HG21 ILE 61 1HG2 ILE 61 -3.436 6.209 -1.062 473 HG22 ILE 61 2HG2 ILE 61 -5.154 6.441 -1.444 474 HG23 ILE 61 3HG2 ILE 61 -4.013 6.018 -2.737 475 HD11 ILE 61 1HD1 ILE 61 -0.897 7.848 -3.776 476 HD12 ILE 61 2HD1 ILE 61 -2.281 6.742 -3.858 477 HD13 ILE 61 3HD1 ILE 61 -2.442 8.414 -4.447 478 H GLU 62 H GLU 62 -6.160 10.548 -2.344 479 HA GLU 62 HA GLU 62 -8.470 9.134 -1.340 480 HB2 GLU 62 2HB GLU 62 -7.681 11.340 -0.510 481 HB3 GLU 62 3HB GLU 62 -8.137 12.103 -2.010 482 HG2 GLU 62 2HG GLU 62 -10.080 10.507 -0.273 483 HG3 GLU 62 3HG GLU 62 -9.757 12.215 0.010 484 H ALA 63 H ALA 63 -9.901 8.152 -2.593 485 HA ALA 63 HA ALA 63 -11.167 9.573 -4.749 486 HB1 ALA 63 1HB ALA 63 -9.321 8.521 -6.029 487 HB2 ALA 63 2HB ALA 63 -9.722 6.935 -5.332 488 HB3 ALA 63 3HB ALA 63 -10.865 7.742 -6.430 489 H GLN 64 H GLN 64 -12.327 9.146 -2.435 490 HA GLN 64 HA GLN 64 -14.210 6.968 -2.901 491 HB2 GLN 64 2HB GLN 64 -12.372 5.740 -1.801 492 HB3 GLN 64 3HB GLN 64 -12.344 6.918 -0.493 493 HG2 GLN 64 2HG GLN 64 -13.443 4.973 0.315 494 HG3 GLN 64 3HG GLN 64 -14.685 6.202 0.142 495 HE21 GLN 64 1HE2 GLN 64 -14.930 3.185 0.189 496 HE22 GLN 64 2HE2 GLN 64 -15.715 2.826 -1.342 497 H LEU 65 H LEU 65 -15.749 8.528 -2.949 498 HA LEU 65 HA LEU 65 -17.407 9.863 -2.254 499 HB2 LEU 65 2HB LEU 65 -16.609 8.797 0.468 500 HB3 LEU 65 3HB LEU 65 -17.781 10.078 0.318 501 HG LEU 65 HG LEU 65 -19.181 8.667 -1.175 502 HD11 LEU 65 1HD1 LEU 65 -18.729 6.177 -1.147 503 HD12 LEU 65 2HD1 LEU 65 -17.597 7.098 -2.137 504 HD13 LEU 65 3HD1 LEU 65 -17.104 6.532 -0.524 505 HD21 LEU 65 1HD2 LEU 65 -18.464 7.420 1.513 506 HD22 LEU 65 2HD2 LEU 65 -19.569 8.789 1.264 507 HD23 LEU 65 3HD2 LEU 65 -19.988 7.191 0.626 508 HA PRO 66 HA PRO 66 -15.521 13.777 -1.698 509 HB2 PRO 66 2HB PRO 66 -17.593 15.429 -1.025 510 HB3 PRO 66 3HB PRO 66 -17.484 14.646 -2.635 511 HG2 PRO 66 2HG PRO 66 -19.053 13.694 -0.213 512 HG3 PRO 66 3HG PRO 66 -19.646 13.908 -1.893 513 HD2 PRO 66 2HD PRO 66 -18.836 11.486 -0.963 514 HD3 PRO 66 3HD PRO 66 -18.475 11.989 -2.642 515 H SER 67 H SER 67 -14.760 15.259 -0.066 516 HA SER 67 HA SER 67 -14.913 14.174 2.668 517 HB2 SER 67 2HB SER 67 -13.298 16.482 1.513 518 HB3 SER 67 3HB SER 67 -13.164 15.831 3.159 519 HG SER 67 HG SER 67 -12.763 14.296 0.783 520 H GLU 68 H GLU 68 -15.509 17.351 1.094 521 HA GLU 68 HA GLU 68 -16.920 19.040 1.498 522 HB2 GLU 68 2HB GLU 68 -18.698 17.345 1.973 523 HB3 GLU 68 3HB GLU 68 -18.294 17.460 3.698 524 HG2 GLU 68 2HG GLU 68 -18.750 19.904 3.637 525 HG3 GLU 68 3HG GLU 68 -19.151 19.781 1.920 526 H SER 69 H SER 69 -16.185 17.587 4.671 527 HA SER 69 HA SER 69 -15.192 20.080 5.844 528 HB2 SER 69 2HB SER 69 -16.002 17.566 6.808 529 HB3 SER 69 3HB SER 69 -14.238 17.508 6.941 530 HG SER 69 HG SER 69 -15.177 18.402 8.805 Start of MODEL 24 1 H1 MET 1 H1 MET 1 -0.296 -31.211 8.461 2 H2 MET 1 H2 MET 1 -1.878 -30.967 8.851 3 H3 MET 1 H3 MET 1 -0.715 -30.870 10.015 4 HA MET 1 HA MET 1 -1.930 -32.913 10.210 5 HB2 MET 1 2HB MET 1 -0.876 -33.353 7.399 6 HB3 MET 1 3HB MET 1 -1.500 -34.658 8.427 7 HG2 MET 1 2HG MET 1 -3.689 -33.857 8.376 8 HG3 MET 1 3HG MET 1 -3.208 -32.213 7.960 9 HE1 MET 1 1HE MET 1 -5.050 -34.916 5.090 10 HE2 MET 1 2HE MET 1 -4.506 -35.559 6.655 11 HE3 MET 1 3HE MET 1 -5.557 -34.121 6.597 12 H LYS 2 H LYS 2 1.006 -33.859 8.305 13 HA LYS 2 HA LYS 2 2.591 -33.641 10.804 14 HB2 LYS 2 2HB LYS 2 2.296 -36.123 9.064 15 HB3 LYS 2 3HB LYS 2 3.726 -35.803 10.049 16 HG2 LYS 2 2HG LYS 2 2.109 -35.506 12.039 17 HG3 LYS 2 3HG LYS 2 0.916 -36.342 11.017 18 HD2 LYS 2 2HD LYS 2 2.554 -38.205 10.691 19 HD3 LYS 2 3HD LYS 2 3.719 -37.367 11.721 20 HE2 LYS 2 2HE LYS 2 0.997 -38.428 12.585 21 HE3 LYS 2 3HE LYS 2 2.570 -39.161 12.933 22 HZ1 LYS 2 1HZ LYS 2 1.652 -36.527 13.892 23 HZ2 LYS 2 2HZ LYS 2 1.822 -37.890 14.797 24 HZ3 LYS 2 3HZ LYS 2 3.149 -37.155 14.164 25 H GLN 3 H GLN 3 2.937 -31.600 9.412 26 HA GLN 3 HA GLN 3 5.591 -31.916 8.437 27 HB2 GLN 3 2HB GLN 3 3.681 -32.056 6.376 28 HB3 GLN 3 3HB GLN 3 4.037 -30.333 6.457 29 HG2 GLN 3 2HG GLN 3 5.610 -31.151 4.924 30 HG3 GLN 3 3HG GLN 3 6.548 -31.033 6.413 31 HE21 GLN 3 1HE2 GLN 3 7.706 -32.954 6.992 32 HE22 GLN 3 2HE2 GLN 3 7.251 -34.524 6.344 33 H ASP 4 H ASP 4 6.638 -29.760 8.509 34 HA ASP 4 HA ASP 4 4.922 -27.471 9.027 35 HB2 ASP 4 2HB ASP 4 5.359 -28.368 11.314 36 HB3 ASP 4 3HB ASP 4 7.099 -28.251 11.014 37 H GLY 5 H GLY 5 5.626 -26.529 7.186 38 HA2 GLY 5 2HA GLY 5 7.787 -25.041 6.727 39 HA3 GLY 5 3HA GLY 5 8.456 -26.653 6.388 40 H GLU 6 H GLU 6 7.240 -24.055 4.795 41 HA GLU 6 HA GLU 6 6.784 -25.616 2.439 42 HB2 GLU 6 2HB GLU 6 4.476 -25.563 3.439 43 HB3 GLU 6 3HB GLU 6 4.548 -23.796 3.485 44 HG2 GLU 6 2HG GLU 6 4.704 -23.711 1.032 45 HG3 GLU 6 3HG GLU 6 4.824 -25.474 0.951 46 H GLU 7 H GLU 7 7.783 -24.369 0.809 47 HA GLU 7 HA GLU 7 7.723 -21.460 1.034 48 HB2 GLU 7 2HB GLU 7 10.158 -21.274 0.665 49 HB3 GLU 7 3HB GLU 7 9.770 -21.922 2.247 50 HG2 GLU 7 2HG GLU 7 10.289 -23.925 0.053 51 HG3 GLU 7 3HG GLU 7 11.653 -22.964 0.607 52 H GLY 8 H GLY 8 8.943 -20.599 -1.059 53 HA2 GLY 8 2HA GLY 8 8.561 -22.350 -3.384 54 HA3 GLY 8 3HA GLY 8 7.483 -20.942 -3.253 55 H THR 9 H THR 9 8.382 -19.673 -4.967 56 HA THR 9 HA THR 9 10.821 -18.322 -4.330 57 HB THR 9 HB THR 9 11.699 -20.430 -5.342 58 HG1 THR 9 1HG THR 9 13.026 -18.815 -5.664 59 HG21 THR 9 1HG2 THR 9 11.384 -20.854 -7.736 60 HG22 THR 9 2HG2 THR 9 9.840 -20.947 -6.862 61 HG23 THR 9 3HG2 THR 9 10.226 -19.514 -7.843 62 H GLU 10 H GLU 10 11.294 -16.917 -6.444 63 HA GLU 10 HA GLU 10 10.682 -15.263 -7.818 64 HB2 GLU 10 2HB GLU 10 8.960 -17.061 -8.701 65 HB3 GLU 10 3HB GLU 10 7.770 -16.077 -7.840 66 HG2 GLU 10 2HG GLU 10 7.746 -15.206 -10.010 67 HG3 GLU 10 3HG GLU 10 8.769 -14.061 -9.133 68 H GLU 11 H GLU 11 10.635 -13.165 -7.010 69 HA GLU 11 HA GLU 11 8.289 -12.326 -5.589 70 HB2 GLU 11 2HB GLU 11 9.340 -11.613 -3.531 71 HB3 GLU 11 3HB GLU 11 9.433 -13.355 -3.686 72 HG2 GLU 11 2HG GLU 11 11.825 -13.230 -4.289 73 HG3 GLU 11 3HG GLU 11 11.773 -11.463 -4.194 74 H ASP 12 H ASP 12 7.919 -10.299 -6.502 75 HA ASP 12 HA ASP 12 9.887 -8.294 -6.014 76 HB2 ASP 12 2HB ASP 12 10.754 -9.217 -8.239 77 HB3 ASP 12 3HB ASP 12 9.245 -8.660 -8.968 78 H THR 13 H THR 13 8.677 -6.540 -5.524 79 HA THR 13 HA THR 13 6.680 -5.569 -4.776 80 HB THR 13 HB THR 13 6.591 -5.172 -7.787 81 HG1 THR 13 1HG THR 13 8.713 -4.958 -7.112 82 HG21 THR 13 1HG2 THR 13 6.085 -2.821 -7.138 83 HG22 THR 13 2HG2 THR 13 4.827 -3.907 -6.543 84 HG23 THR 13 3HG2 THR 13 6.066 -3.294 -5.426 85 H GLU 14 H GLU 14 6.079 -8.348 -4.943 86 HA GLU 14 HA GLU 14 3.796 -8.610 -6.677 87 HB2 GLU 14 2HB GLU 14 5.663 -10.255 -6.295 88 HB3 GLU 14 3HB GLU 14 4.909 -10.695 -4.760 89 HG2 GLU 14 2HG GLU 14 2.942 -11.522 -5.833 90 HG3 GLU 14 3HG GLU 14 3.289 -10.667 -7.338 91 H GLU 15 H GLU 15 4.107 -9.478 -3.158 92 HA GLU 15 HA GLU 15 1.606 -7.999 -2.692 93 HB2 GLU 15 2HB GLU 15 1.306 -10.532 -3.434 94 HB3 GLU 15 3HB GLU 15 1.681 -10.881 -1.759 95 HG2 GLU 15 2HG GLU 15 -0.412 -10.246 -1.121 96 HG3 GLU 15 3HG GLU 15 -0.255 -8.685 -1.920 97 H LYS 16 H LYS 16 3.584 -6.841 -1.823 98 HA LYS 16 HA LYS 16 4.298 -7.803 0.918 99 HB2 LYS 16 2HB LYS 16 6.198 -6.453 -1.056 100 HB3 LYS 16 3HB LYS 16 6.574 -7.070 0.562 101 HG2 LYS 16 2HG LYS 16 5.696 -9.340 -0.328 102 HG3 LYS 16 3HG LYS 16 5.842 -8.660 -1.931 103 HD2 LYS 16 2HD LYS 16 8.185 -8.856 0.018 104 HD3 LYS 16 3HD LYS 16 7.716 -10.150 -1.089 105 HE2 LYS 16 2HE LYS 16 8.034 -8.558 -2.995 106 HE3 LYS 16 3HE LYS 16 8.664 -7.369 -1.843 107 HZ1 LYS 16 1HZ LYS 16 10.423 -9.011 -1.285 108 HZ2 LYS 16 2HZ LYS 16 9.819 -10.093 -2.275 109 HZ3 LYS 16 3HZ LYS 16 10.444 -8.723 -2.904 110 H CYS 17 H CYS 17 3.693 -6.397 2.446 111 HA CYS 17 HA CYS 17 2.618 -3.695 1.958 112 HB2 CYS 17 2HB CYS 17 1.858 -5.359 3.681 113 HB3 CYS 17 3HB CYS 17 3.406 -5.167 4.496 114 H THR 18 H THR 18 4.090 -2.007 1.469 115 HA THR 18 HA THR 18 6.814 -2.292 2.668 116 HB THR 18 HB THR 18 7.564 -0.722 1.009 117 HG1 THR 18 1HG THR 18 5.813 0.554 0.746 118 HG21 THR 18 1HG2 THR 18 5.835 -2.820 -0.385 119 HG22 THR 18 2HG2 THR 18 7.260 -2.008 -1.040 120 HG23 THR 18 3HG2 THR 18 7.436 -3.145 0.310 121 H ILE 19 H ILE 19 3.993 -1.230 3.746 122 HA ILE 19 HA ILE 19 4.947 1.405 4.712 123 HB ILE 19 HB ILE 19 2.298 0.053 5.203 124 HG12 ILE 19 2HG1 ILE 19 3.342 1.672 2.873 125 HG13 ILE 19 3HG1 ILE 19 2.232 0.290 2.873 126 HG21 ILE 19 1HG2 ILE 19 1.596 2.236 5.904 127 HG22 ILE 19 2HG2 ILE 19 3.010 1.743 6.831 128 HG23 ILE 19 3HG2 ILE 19 3.208 2.912 5.509 129 HD11 ILE 19 1HD1 ILE 19 0.507 1.768 3.878 130 HD12 ILE 19 2HD1 ILE 19 1.638 3.127 3.588 131 HD13 ILE 19 3HD1 ILE 19 1.020 2.153 2.228 132 H CYS 20 H CYS 20 3.521 -1.708 5.891 133 HA CYS 20 HA CYS 20 4.762 -1.450 8.582 134 HB2 CYS 20 2HB CYS 20 3.407 -3.435 9.007 135 HB3 CYS 20 3HB CYS 20 2.426 -2.103 8.379 136 H LEU 21 H LEU 21 6.086 -2.142 5.727 137 HA LEU 21 HA LEU 21 7.664 -3.557 4.896 138 HB2 LEU 21 2HB LEU 21 8.567 -2.807 7.687 139 HB3 LEU 21 3HB LEU 21 9.639 -3.661 6.578 140 HG LEU 21 HG LEU 21 8.273 -1.091 5.716 141 HD11 LEU 21 1HD1 LEU 21 10.915 -1.399 7.204 142 HD12 LEU 21 2HD1 LEU 21 10.372 0.080 6.378 143 HD13 LEU 21 3HD1 LEU 21 9.463 -0.539 7.767 144 HD21 LEU 21 1HD2 LEU 21 10.861 -2.484 4.882 145 HD22 LEU 21 2HD2 LEU 21 9.340 -2.512 3.966 146 HD23 LEU 21 3HD2 LEU 21 10.209 -0.987 4.184 147 H SER 22 H SER 22 5.767 -5.298 5.110 148 HA SER 22 HA SER 22 7.226 -7.689 5.871 149 HB2 SER 22 2HB SER 22 5.102 -8.507 7.180 150 HB3 SER 22 3HB SER 22 6.345 -7.552 7.995 151 HG SER 22 HG SER 22 5.065 -5.715 7.745 152 H ILE 23 H ILE 23 6.258 -9.633 5.001 153 HA ILE 23 HA ILE 23 4.722 -9.055 2.570 154 HB ILE 23 HB ILE 23 6.153 -11.559 3.567 155 HG12 ILE 23 2HG1 ILE 23 7.582 -10.854 1.479 156 HG13 ILE 23 3HG1 ILE 23 6.884 -9.253 1.737 157 HG21 ILE 23 1HG2 ILE 23 4.823 -10.884 0.905 158 HG22 ILE 23 2HG2 ILE 23 5.900 -12.280 1.171 159 HG23 ILE 23 3HG2 ILE 23 4.390 -12.165 2.036 160 HD11 ILE 23 1HD1 ILE 23 9.192 -9.625 2.623 161 HD12 ILE 23 2HD1 ILE 23 8.068 -9.042 3.843 162 HD13 ILE 23 3HD1 ILE 23 8.519 -10.770 3.806 163 H LEU 24 H LEU 24 2.864 -10.407 2.064 164 HA LEU 24 HA LEU 24 1.152 -10.681 4.475 165 HB2 LEU 24 2HB LEU 24 0.481 -10.147 1.546 166 HB3 LEU 24 3HB LEU 24 -0.660 -10.119 2.878 167 HG LEU 24 HG LEU 24 1.781 -8.293 2.628 168 HD11 LEU 24 1HD1 LEU 24 -1.091 -7.618 1.990 169 HD12 LEU 24 2HD1 LEU 24 0.417 -6.715 1.631 170 HD13 LEU 24 3HD1 LEU 24 0.065 -8.205 0.772 171 HD21 LEU 24 1HD2 LEU 24 0.996 -8.543 4.934 172 HD22 LEU 24 2HD2 LEU 24 0.553 -6.952 4.321 173 HD23 LEU 24 3HD2 LEU 24 -0.679 -8.227 4.426 174 H GLU 25 H GLU 25 0.935 -11.972 1.178 175 HA GLU 25 HA GLU 25 0.612 -13.946 0.296 176 HB2 GLU 25 2HB GLU 25 1.503 -15.404 2.782 177 HB3 GLU 25 3HB GLU 25 1.640 -15.861 1.072 178 HG2 GLU 25 2HG GLU 25 3.149 -13.762 0.842 179 HG3 GLU 25 3HG GLU 25 3.222 -13.817 2.624 180 H GLU 26 H GLU 26 -0.408 -16.346 1.223 181 HA GLU 26 HA GLU 26 -3.136 -15.657 1.088 182 HB2 GLU 26 2HB GLU 26 -2.215 -17.771 0.236 183 HB3 GLU 26 3HB GLU 26 -1.744 -18.257 1.866 184 HG2 GLU 26 2HG GLU 26 -3.758 -19.438 1.165 185 HG3 GLU 26 3HG GLU 26 -4.104 -18.407 2.548 186 H GLY 27 H GLY 27 -4.679 -15.352 2.589 187 HA2 GLY 27 2HA GLY 27 -5.602 -15.736 4.805 188 HA3 GLY 27 3HA GLY 27 -3.969 -15.673 5.487 189 H GLU 28 H GLU 28 -3.091 -13.310 3.912 190 HA GLU 28 HA GLU 28 -4.479 -11.270 5.568 191 HB2 GLU 28 2HB GLU 28 -1.793 -11.598 4.292 192 HB3 GLU 28 3HB GLU 28 -2.440 -9.959 4.282 193 HG2 GLU 28 2HG GLU 28 -2.395 -11.613 6.830 194 HG3 GLU 28 3HG GLU 28 -1.011 -10.639 6.303 195 H ASP 29 H ASP 29 -4.754 -9.051 4.383 196 HA ASP 29 HA ASP 29 -6.065 -9.649 1.800 197 HB2 ASP 29 2HB ASP 29 -7.624 -7.998 2.295 198 HB3 ASP 29 3HB ASP 29 -7.510 -9.002 3.726 199 H VAL 30 H VAL 30 -6.372 -7.391 0.514 200 HA VAL 30 HA VAL 30 -3.725 -6.103 0.336 201 HB VAL 30 HB VAL 30 -3.469 -6.734 -1.990 202 HG11 VAL 30 1HG1 VAL 30 -2.909 -9.080 -1.721 203 HG12 VAL 30 2HG1 VAL 30 -2.479 -8.207 -0.241 204 HG13 VAL 30 3HG1 VAL 30 -3.929 -9.243 -0.309 205 HG21 VAL 30 1HG2 VAL 30 -4.840 -8.495 -3.039 206 HG22 VAL 30 2HG2 VAL 30 -5.931 -8.506 -1.641 207 HG23 VAL 30 3HG2 VAL 30 -5.820 -7.067 -2.684 208 H ARG 31 H ARG 31 -3.762 -4.142 -0.898 209 HA ARG 31 HA ARG 31 -6.088 -3.490 -2.434 210 HB2 ARG 31 2HB ARG 31 -5.575 -2.001 0.169 211 HB3 ARG 31 3HB ARG 31 -6.146 -1.116 -1.241 212 HG2 ARG 31 2HG ARG 31 -7.988 -3.035 -1.356 213 HG3 ARG 31 3HG ARG 31 -7.605 -3.180 0.373 214 HD2 ARG 31 2HD ARG 31 -7.956 -0.698 0.585 215 HD3 ARG 31 3HD ARG 31 -8.430 -0.630 -1.112 216 HE ARG 31 HE ARG 31 -9.964 -1.559 1.164 217 HH11 ARG 31 1HH1 ARG 31 -12.830 -2.267 -0.696 218 HH12 ARG 31 2HH1 ARG 31 -12.207 -2.022 0.890 219 HH21 ARG 31 1HH2 ARG 31 -11.497 -2.032 -2.592 220 HH22 ARG 31 2HH2 ARG 31 -9.797 -1.764 -2.385 221 H ARG 32 H ARG 32 -5.721 -1.384 -3.585 222 HA ARG 32 HA ARG 32 -2.924 -0.465 -3.707 223 HB2 ARG 32 2HB ARG 32 -3.405 -2.135 -5.626 224 HB3 ARG 32 3HB ARG 32 -4.721 -1.046 -6.089 225 HG2 ARG 32 2HG ARG 32 -2.673 0.721 -6.053 226 HG3 ARG 32 3HG ARG 32 -1.772 -0.728 -6.433 227 HD2 ARG 32 2HD ARG 32 -4.322 -0.413 -7.970 228 HD3 ARG 32 3HD ARG 32 -3.173 0.866 -8.246 229 HE ARG 32 HE ARG 32 -1.655 -1.441 -8.441 230 HH11 ARG 32 1HH1 ARG 32 -2.359 -2.479 -11.724 231 HH12 ARG 32 2HH1 ARG 32 -1.240 -2.572 -10.419 232 HH21 ARG 32 1HH2 ARG 32 -4.337 -1.184 -11.495 233 HH22 ARG 32 2HH2 ARG 32 -4.605 -0.321 -10.023 234 H LEU 33 H LEU 33 -2.954 1.795 -3.746 235 HA LEU 33 HA LEU 33 -5.532 3.169 -3.881 236 HB2 LEU 33 2HB LEU 33 -3.443 5.036 -3.859 237 HB3 LEU 33 3HB LEU 33 -4.477 4.493 -2.521 238 HG LEU 33 HG LEU 33 -2.712 2.727 -2.009 239 HD11 LEU 33 1HD1 LEU 33 -0.834 4.554 -3.524 240 HD12 LEU 33 2HD1 LEU 33 -0.533 2.955 -2.853 241 HD13 LEU 33 3HD1 LEU 33 -1.519 3.123 -4.328 242 HD21 LEU 33 1HD2 LEU 33 -3.027 4.753 -0.719 243 HD22 LEU 33 2HD2 LEU 33 -1.308 4.296 -0.810 244 HD23 LEU 33 3HD2 LEU 33 -1.918 5.644 -1.791 245 HA PRO 34 HA PRO 34 -5.436 4.118 -8.137 246 HB2 PRO 34 2HB PRO 34 -5.782 6.854 -8.370 247 HB3 PRO 34 3HB PRO 34 -7.067 5.709 -7.877 248 HG2 PRO 34 2HG PRO 34 -5.262 7.362 -6.086 249 HG3 PRO 34 3HG PRO 34 -7.048 7.205 -6.009 250 HD2 PRO 34 2HD PRO 34 -5.484 5.736 -4.395 251 HD3 PRO 34 3HD PRO 34 -6.896 4.976 -5.179 252 H CYS 35 H CYS 35 -2.881 5.146 -6.215 253 HA CYS 35 HA CYS 35 -1.196 6.573 -8.216 254 HB2 CYS 35 2HB CYS 35 -1.450 7.290 -5.903 255 HB3 CYS 35 3HB CYS 35 -0.941 5.690 -5.326 256 H MET 36 H MET 36 -2.159 3.363 -7.932 257 HA MET 36 HA MET 36 -1.293 1.482 -8.572 258 HB2 MET 36 2HB MET 36 0.389 3.280 -10.335 259 HB3 MET 36 3HB MET 36 0.384 1.508 -10.467 260 HG2 MET 36 2HG MET 36 -2.055 1.505 -10.765 261 HG3 MET 36 3HG MET 36 -2.089 3.270 -10.651 262 HE1 MET 36 1HE MET 36 -3.555 3.158 -12.767 263 HE2 MET 36 2HE MET 36 -3.014 2.600 -14.368 264 HE3 MET 36 3HE MET 36 -3.342 1.418 -13.080 265 H HIS 37 H HIS 37 -0.714 1.712 -6.279 266 HA HIS 37 HA HIS 37 2.015 0.698 -5.866 267 HB2 HIS 37 1HB HIS 37 0.853 3.337 -4.993 268 HB3 HIS 37 2HB HIS 37 1.643 2.395 -3.738 269 HD2 HIS 37 2HD HIS 37 4.178 1.500 -4.328 270 HE1 HIS 37 1HE HIS 37 5.192 4.814 -6.788 271 HE2 HIS 37 2HE HIS 37 6.116 2.828 -5.481 272 H LEU 38 H LEU 38 1.381 -1.366 -5.110 273 HA LEU 38 HA LEU 38 -1.168 -1.520 -3.595 274 HB2 LEU 38 2HB LEU 38 -1.687 -3.391 -4.623 275 HB3 LEU 38 3HB LEU 38 -0.436 -3.013 -5.788 276 HG LEU 38 HG LEU 38 1.157 -4.454 -4.430 277 HD11 LEU 38 1HD1 LEU 38 -1.312 -4.794 -2.724 278 HD12 LEU 38 2HD1 LEU 38 -0.366 -6.246 -3.072 279 HD13 LEU 38 3HD1 LEU 38 0.416 -4.903 -2.276 280 HD21 LEU 38 1HD2 LEU 38 -1.414 -5.760 -5.420 281 HD22 LEU 38 2HD2 LEU 38 -0.037 -5.258 -6.440 282 HD23 LEU 38 3HD2 LEU 38 0.163 -6.545 -5.251 283 H PHE 39 H PHE 39 -1.170 -2.334 -1.589 284 HA PHE 39 HA PHE 39 1.409 -3.155 -0.399 285 HB2 PHE 39 2HB PHE 39 -0.365 -0.982 0.798 286 HB3 PHE 39 3HB PHE 39 1.105 -1.648 1.509 287 HD1 PHE 39 1HD PHE 39 -0.043 1.235 0.173 288 HD2 PHE 39 2HD PHE 39 3.081 -1.632 -0.639 289 HE1 PHE 39 1HE PHE 39 1.291 2.992 -0.957 290 HE2 PHE 39 2HE PHE 39 4.361 0.100 -1.817 291 HZ PHE 39 HZ PHE 39 3.506 2.418 -1.959 292 H HIS 40 H HIS 40 -1.525 -2.373 1.429 293 HA HIS 40 HA HIS 40 -2.461 -5.124 1.778 294 HB2 HIS 40 1HB HIS 40 -0.311 -5.183 2.931 295 HB3 HIS 40 2HB HIS 40 -0.583 -3.638 3.623 296 HD2 HIS 40 2HD HIS 40 -3.196 -6.489 3.953 297 HE1 HIS 40 1HE HIS 40 -1.272 -6.096 7.707 298 HE2 HIS 40 2HE HIS 40 -3.099 -7.278 6.427 299 H GLN 41 H GLN 41 -4.603 -4.849 3.045 300 HA GLN 41 HA GLN 41 -5.659 -2.234 2.700 301 HB2 GLN 41 2HB GLN 41 -6.857 -4.464 2.843 302 HB3 GLN 41 3HB GLN 41 -6.703 -4.338 4.610 303 HG2 GLN 41 2HG GLN 41 -8.033 -2.189 2.932 304 HG3 GLN 41 3HG GLN 41 -8.895 -3.639 3.461 305 HE21 GLN 41 1HE2 GLN 41 -10.202 -1.600 4.432 306 HE22 GLN 41 2HE2 GLN 41 -9.675 -1.184 6.055 307 H VAL 42 H VAL 42 -4.475 -3.956 5.604 308 HA VAL 42 HA VAL 42 -4.876 -1.768 7.358 309 HB VAL 42 HB VAL 42 -2.812 -3.971 7.645 310 HG11 VAL 42 1HG1 VAL 42 -4.196 -2.231 9.718 311 HG12 VAL 42 2HG1 VAL 42 -3.156 -3.627 10.083 312 HG13 VAL 42 3HG1 VAL 42 -2.471 -2.200 9.299 313 HG21 VAL 42 1HG2 VAL 42 -5.039 -4.980 7.259 314 HG22 VAL 42 2HG2 VAL 42 -4.567 -5.167 8.945 315 HG23 VAL 42 3HG2 VAL 42 -5.740 -3.912 8.491 316 H CYS 43 H CYS 43 -2.141 -2.280 5.051 317 HA CYS 43 HA CYS 43 -0.201 -0.475 6.404 318 HB2 CYS 43 2HB CYS 43 -0.637 -1.593 3.604 319 HB3 CYS 43 3HB CYS 43 0.486 -0.338 3.929 320 H VAL 44 H VAL 44 -2.378 -0.316 3.587 321 HA VAL 44 HA VAL 44 -1.680 2.312 3.122 322 HB VAL 44 HB VAL 44 -2.611 0.772 1.441 323 HG11 VAL 44 1HG1 VAL 44 -4.542 -0.183 2.619 324 HG12 VAL 44 2HG1 VAL 44 -5.373 1.388 2.573 325 HG13 VAL 44 3HG1 VAL 44 -5.007 0.519 1.073 326 HG21 VAL 44 1HG2 VAL 44 -2.457 3.159 1.002 327 HG22 VAL 44 2HG2 VAL 44 -3.860 2.454 0.172 328 HG23 VAL 44 3HG2 VAL 44 -4.095 3.415 1.648 329 H ASP 45 H ASP 45 -4.538 0.934 4.842 330 HA ASP 45 HA ASP 45 -5.598 3.528 5.557 331 HB2 ASP 45 2HB ASP 45 -6.873 1.354 5.075 332 HB3 ASP 45 3HB ASP 45 -6.371 0.809 6.680 333 H GLN 46 H GLN 46 -2.812 2.826 6.512 334 HA GLN 46 HA GLN 46 -3.327 3.694 9.299 335 HB2 GLN 46 2HB GLN 46 -2.822 1.276 9.225 336 HB3 GLN 46 3HB GLN 46 -1.205 1.627 8.595 337 HG2 GLN 46 2HG GLN 46 -2.120 2.990 11.141 338 HG3 GLN 46 3HG GLN 46 -1.813 1.260 11.202 339 HE21 GLN 46 1HE2 GLN 46 -0.238 4.433 10.662 340 HE22 GLN 46 2HE2 GLN 46 1.376 3.780 10.950 341 H ARG 47 H ARG 47 -1.085 3.693 6.485 342 HA ARG 47 HA ARG 47 0.266 6.065 7.690 343 HB2 ARG 47 2HB ARG 47 1.659 4.382 6.594 344 HB3 ARG 47 3HB ARG 47 0.757 4.596 5.085 345 HG2 ARG 47 2HG ARG 47 1.553 7.122 5.304 346 HG3 ARG 47 3HG ARG 47 2.738 6.454 6.435 347 HD2 ARG 47 2HD ARG 47 3.547 4.922 4.640 348 HD3 ARG 47 3HD ARG 47 2.300 5.528 3.562 349 HE ARG 47 HE ARG 47 3.360 7.586 3.349 350 HH11 ARG 47 1HH1 ARG 47 6.782 8.210 3.807 351 HH12 ARG 47 2HH1 ARG 47 5.327 8.752 3.060 352 HH21 ARG 47 1HH2 ARG 47 6.773 6.246 5.127 353 HH22 ARG 47 2HH2 ARG 47 5.294 5.392 5.356 354 H LEU 48 H LEU 48 -1.899 5.255 4.878 355 HA LEU 48 HA LEU 48 -1.626 7.977 3.857 356 HB2 LEU 48 2HB LEU 48 -3.388 5.642 3.027 357 HB3 LEU 48 3HB LEU 48 -3.409 7.203 2.255 358 HG LEU 48 HG LEU 48 -2.099 5.555 1.043 359 HD11 LEU 48 1HD1 LEU 48 -0.219 6.952 0.475 360 HD12 LEU 48 2HD1 LEU 48 -1.608 7.989 0.847 361 HD13 LEU 48 3HD1 LEU 48 -0.308 7.791 2.036 362 HD21 LEU 48 1HD2 LEU 48 0.011 4.699 1.696 363 HD22 LEU 48 2HD2 LEU 48 0.053 5.707 3.151 364 HD23 LEU 48 3HD2 LEU 48 -1.101 4.360 3.034 365 H ILE 49 H ILE 49 -3.529 6.472 6.317 366 HA ILE 49 HA ILE 49 -5.757 8.160 6.212 367 HB ILE 49 HB ILE 49 -5.995 7.770 8.615 368 HG12 ILE 49 2HG1 ILE 49 -4.227 5.872 9.338 369 HG13 ILE 49 3HG1 ILE 49 -3.140 6.855 8.361 370 HG21 ILE 49 1HG2 ILE 49 -6.782 6.169 6.904 371 HG22 ILE 49 2HG2 ILE 49 -5.225 5.334 6.960 372 HG23 ILE 49 3HG2 ILE 49 -6.285 5.338 8.378 373 HD11 ILE 49 1HD1 ILE 49 -3.754 8.846 9.750 374 HD12 ILE 49 2HD1 ILE 49 -4.806 7.804 10.731 375 HD13 ILE 49 3HD1 ILE 49 -3.052 7.532 10.713 376 H THR 50 H THR 50 -2.412 8.984 6.792 377 HA THR 50 HA THR 50 -3.286 11.763 7.394 378 HB THR 50 HB THR 50 -2.380 10.597 9.374 379 HG1 THR 50 1HG THR 50 -0.936 12.250 9.893 380 HG21 THR 50 1HG2 THR 50 0.229 10.468 7.806 381 HG22 THR 50 2HG2 THR 50 0.056 10.186 9.548 382 HG23 THR 50 3HG2 THR 50 -0.732 9.095 8.407 383 H ASN 51 H ASN 51 -2.697 10.333 4.730 384 HA ASN 51 HA ASN 51 -1.075 12.509 3.724 385 HB2 ASN 51 2HB ASN 51 0.323 10.121 4.435 386 HB3 ASN 51 3HB ASN 51 0.125 10.040 2.688 387 HD21 ASN 51 1HD2 ASN 51 0.883 12.598 5.156 388 HD22 ASN 51 2HD2 ASN 51 2.238 13.243 4.240 389 H LYS 52 H LYS 52 -1.791 12.978 1.592 390 HA LYS 52 HA LYS 52 -3.549 10.920 0.339 391 HB2 LYS 52 2HB LYS 52 -4.077 13.853 0.927 392 HB3 LYS 52 3HB LYS 52 -4.842 13.056 -0.459 393 HG2 LYS 52 2HG LYS 52 -5.774 11.325 0.936 394 HG3 LYS 52 3HG LYS 52 -5.048 12.038 2.394 395 HD2 LYS 52 2HD LYS 52 -6.426 14.032 2.195 396 HD3 LYS 52 3HD LYS 52 -6.901 13.607 0.553 397 HE2 LYS 52 2HE LYS 52 -8.795 12.999 1.745 398 HE3 LYS 52 3HE LYS 52 -7.940 11.464 1.561 399 HZ1 LYS 52 1HZ LYS 52 -7.067 11.794 3.814 400 HZ2 LYS 52 2HZ LYS 52 -7.937 13.187 3.960 401 HZ3 LYS 52 3HZ LYS 52 -8.711 11.747 3.800 402 H LYS 53 H LYS 53 -0.919 10.929 -0.258 403 HA LYS 53 HA LYS 53 -0.960 12.014 -2.933 404 HB2 LYS 53 2HB LYS 53 1.277 13.086 -2.748 405 HB3 LYS 53 3HB LYS 53 0.053 13.886 -1.755 406 HG2 LYS 53 2HG LYS 53 0.883 12.563 0.234 407 HG3 LYS 53 3HG LYS 53 2.216 11.957 -0.766 408 HD2 LYS 53 2HD LYS 53 1.623 14.904 -0.290 409 HD3 LYS 53 3HD LYS 53 2.738 13.959 0.709 410 HE2 LYS 53 2HE LYS 53 4.356 13.830 -0.893 411 HE3 LYS 53 3HE LYS 53 3.206 13.759 -2.230 412 HZ1 LYS 53 1HZ LYS 53 3.827 16.211 -0.708 413 HZ2 LYS 53 2HZ LYS 53 4.462 15.828 -2.178 414 HZ3 LYS 53 3HZ LYS 53 2.846 16.100 -2.025 415 H CYS 54 H CYS 54 0.673 10.905 -4.265 416 HA CYS 54 HA CYS 54 1.182 8.172 -3.731 417 HB2 CYS 54 2HB CYS 54 1.952 10.128 -5.722 418 HB3 CYS 54 3HB CYS 54 3.347 9.228 -5.241 419 HA PRO 55 HA PRO 55 4.593 8.327 -0.917 420 HB2 PRO 55 2HB PRO 55 5.588 5.795 -1.192 421 HB3 PRO 55 3HB PRO 55 4.001 6.123 -0.424 422 HG2 PRO 55 2HG PRO 55 4.540 5.260 -3.280 423 HG3 PRO 55 3HG PRO 55 3.325 4.616 -2.129 424 HD2 PRO 55 2HD PRO 55 2.730 6.486 -4.037 425 HD3 PRO 55 3HD PRO 55 1.899 6.427 -2.451 426 H ILE 56 H ILE 56 5.084 7.361 -4.355 427 HA ILE 56 HA ILE 56 7.491 8.953 -4.332 428 HB ILE 56 HB ILE 56 8.217 6.776 -3.358 429 HG12 ILE 56 2HG1 ILE 56 10.177 6.363 -4.827 430 HG13 ILE 56 3HG1 ILE 56 9.522 7.508 -5.998 431 HG21 ILE 56 1HG2 ILE 56 8.357 4.756 -4.605 432 HG22 ILE 56 2HG2 ILE 56 6.675 5.307 -4.621 433 HG23 ILE 56 3HG2 ILE 56 7.704 5.513 -6.062 434 HD11 ILE 56 1HD1 ILE 56 10.155 8.145 -3.076 435 HD12 ILE 56 2HD1 ILE 56 11.203 8.524 -4.455 436 HD13 ILE 56 3HD1 ILE 56 9.627 9.316 -4.308 437 H CYS 57 H CYS 57 5.220 9.501 -5.639 438 HA CYS 57 HA CYS 57 5.836 9.660 -8.436 439 HB2 CYS 57 2HB CYS 57 3.565 8.585 -9.038 440 HB3 CYS 57 3HB CYS 57 4.932 7.526 -8.737 441 H ARG 58 H ARG 58 3.015 10.444 -8.810 442 HA ARG 58 HA ARG 58 2.620 12.528 -6.792 443 HB2 ARG 58 2HB ARG 58 4.361 13.313 -8.662 444 HB3 ARG 58 3HB ARG 58 2.897 13.644 -9.582 445 HG2 ARG 58 2HG ARG 58 2.096 14.944 -7.461 446 HG3 ARG 58 3HG ARG 58 3.770 14.765 -6.898 447 HD2 ARG 58 2HD ARG 58 4.196 15.667 -9.448 448 HD3 ARG 58 3HD ARG 58 2.636 16.438 -9.105 449 HE ARG 58 HE ARG 58 4.397 16.870 -6.917 450 HH11 ARG 58 1HH1 ARG 58 5.916 19.834 -8.108 451 HH12 ARG 58 2HH1 ARG 58 5.717 18.802 -6.742 452 HH21 ARG 58 1HH2 ARG 58 4.906 19.271 -10.179 453 HH22 ARG 58 2HH2 ARG 58 3.952 17.834 -10.273 454 H VAL 59 H VAL 59 0.647 11.417 -6.476 455 HA VAL 59 HA VAL 59 -1.503 12.057 -8.353 456 HB VAL 59 HB VAL 59 -0.739 9.260 -7.381 457 HG11 VAL 59 1HG1 VAL 59 -2.854 8.492 -8.499 458 HG12 VAL 59 2HG1 VAL 59 -3.117 9.429 -7.034 459 HG13 VAL 59 3HG1 VAL 59 -3.356 10.193 -8.623 460 HG21 VAL 59 1HG2 VAL 59 0.350 9.840 -9.487 461 HG22 VAL 59 2HG2 VAL 59 -0.939 8.683 -9.807 462 HG23 VAL 59 3HG2 VAL 59 -1.194 10.405 -10.166 463 H ASP 60 H ASP 60 -3.316 12.654 -7.098 464 HA ASP 60 HA ASP 60 -3.079 12.685 -4.212 465 HB2 ASP 60 2HB ASP 60 -5.419 13.236 -6.095 466 HB3 ASP 60 3HB ASP 60 -5.415 13.537 -4.350 467 H ILE 61 H ILE 61 -3.720 11.012 -2.867 468 HA ILE 61 HA ILE 61 -4.597 8.536 -4.091 469 HB ILE 61 HB ILE 61 -4.174 9.309 -1.176 470 HG12 ILE 61 2HG1 ILE 61 -2.141 9.792 -2.278 471 HG13 ILE 61 3HG1 ILE 61 -1.911 8.242 -1.479 472 HG21 ILE 61 1HG2 ILE 61 -4.196 6.621 -2.566 473 HG22 ILE 61 2HG2 ILE 61 -3.685 6.918 -0.877 474 HG23 ILE 61 3HG2 ILE 61 -5.359 7.205 -1.363 475 HD11 ILE 61 1HD1 ILE 61 -2.431 8.798 -4.417 476 HD12 ILE 61 2HD1 ILE 61 -0.968 8.131 -3.682 477 HD13 ILE 61 3HD1 ILE 61 -2.444 7.160 -3.719 478 H GLU 62 H GLU 62 -6.133 11.236 -2.650 479 HA GLU 62 HA GLU 62 -8.508 9.898 -1.666 480 HB2 GLU 62 2HB GLU 62 -7.698 12.105 -0.904 481 HB3 GLU 62 3HB GLU 62 -8.052 12.812 -2.479 482 HG2 GLU 62 2HG GLU 62 -10.257 11.332 -1.030 483 HG3 GLU 62 3HG GLU 62 -9.742 12.881 -0.370 484 H ALA 63 H ALA 63 -10.468 9.555 -2.778 485 HA ALA 63 HA ALA 63 -10.870 10.456 -5.428 486 HB1 ALA 63 1HB ALA 63 -11.040 8.195 -6.467 487 HB2 ALA 63 2HB ALA 63 -9.370 8.517 -5.949 488 HB3 ALA 63 3HB ALA 63 -10.418 7.456 -4.976 489 H GLN 64 H GLN 64 -13.065 9.452 -6.138 490 HA GLN 64 HA GLN 64 -14.847 9.609 -3.909 491 HB2 GLN 64 2HB GLN 64 -16.609 9.255 -5.508 492 HB3 GLN 64 3HB GLN 64 -15.367 10.232 -6.285 493 HG2 GLN 64 2HG GLN 64 -15.899 8.740 -7.964 494 HG3 GLN 64 3HG GLN 64 -14.476 7.974 -7.265 495 HE21 GLN 64 1HE2 GLN 64 -14.749 5.767 -6.815 496 HE22 GLN 64 2HE2 GLN 64 -16.316 4.989 -6.708 497 H LEU 65 H LEU 65 -16.005 8.010 -2.880 498 HA LEU 65 HA LEU 65 -15.969 6.132 -1.560 499 HB2 LEU 65 2HB LEU 65 -16.819 5.346 -4.327 500 HB3 LEU 65 3HB LEU 65 -16.660 4.093 -3.098 501 HG LEU 65 HG LEU 65 -18.204 5.205 -1.608 502 HD11 LEU 65 1HD1 LEU 65 -17.914 7.562 -2.096 503 HD12 LEU 65 2HD1 LEU 65 -18.432 7.322 -3.789 504 HD13 LEU 65 3HD1 LEU 65 -19.585 7.129 -2.450 505 HD21 LEU 65 1HD2 LEU 65 -20.235 4.831 -2.912 506 HD22 LEU 65 2HD2 LEU 65 -19.328 4.999 -4.434 507 HD23 LEU 65 3HD2 LEU 65 -19.018 3.621 -3.354 508 HA PRO 66 HA PRO 66 -11.814 4.367 -2.360 509 HB2 PRO 66 2HB PRO 66 -10.424 5.398 -0.284 510 HB3 PRO 66 3HB PRO 66 -10.826 6.405 -1.707 511 HG2 PRO 66 2HG PRO 66 -12.315 6.278 0.939 512 HG3 PRO 66 3HG PRO 66 -11.746 7.732 0.058 513 HD2 PRO 66 2HD PRO 66 -14.311 6.722 -0.157 514 HD3 PRO 66 3HD PRO 66 -13.495 7.592 -1.486 515 H SER 67 H SER 67 -13.745 2.750 -1.732 516 HA SER 67 HA SER 67 -12.892 0.835 0.055 517 HB2 SER 67 2HB SER 67 -14.957 1.185 1.734 518 HB3 SER 67 3HB SER 67 -13.347 1.831 2.052 519 HG SER 67 HG SER 67 -13.946 3.791 1.467 520 H GLU 68 H GLU 68 -15.278 -0.625 0.582 521 HA GLU 68 HA GLU 68 -16.485 -0.643 -2.142 522 HB2 GLU 68 2HB GLU 68 -14.332 -2.165 -1.679 523 HB3 GLU 68 3HB GLU 68 -15.502 -3.224 -0.921 524 HG2 GLU 68 2HG GLU 68 -15.466 -3.959 -3.156 525 HG3 GLU 68 3HG GLU 68 -16.860 -2.867 -3.169 526 H SER 69 H SER 69 -17.567 0.371 0.071 527 HA SER 69 HA SER 69 -19.034 0.293 1.791 528 HB2 SER 69 2HB SER 69 -20.549 -1.221 0.434 529 HB3 SER 69 3HB SER 69 -19.668 -2.605 1.121 530 HG SER 69 HG SER 69 -20.131 -1.717 3.181 Start of MODEL 25 1 H1 MET 1 H1 MET 1 24.230 -34.148 -0.057 2 H2 MET 1 H2 MET 1 24.980 -34.943 1.181 3 H3 MET 1 H3 MET 1 25.112 -33.306 1.042 4 HA MET 1 HA MET 1 27.134 -34.323 0.358 5 HB2 MET 1 2HB MET 1 25.330 -35.832 -1.562 6 HB3 MET 1 3HB MET 1 27.053 -35.551 -1.879 7 HG2 MET 1 2HG MET 1 27.420 -36.451 0.538 8 HG3 MET 1 3HG MET 1 25.812 -37.159 0.355 9 HE1 MET 1 1HE MET 1 25.245 -39.026 -1.565 10 HE2 MET 1 2HE MET 1 25.823 -37.883 -2.807 11 HE3 MET 1 3HE MET 1 26.440 -39.548 -2.773 12 H LYS 2 H LYS 2 24.772 -33.596 -2.367 13 HA LYS 2 HA LYS 2 26.236 -31.040 -2.653 14 HB2 LYS 2 2HB LYS 2 25.418 -33.045 -4.787 15 HB3 LYS 2 3HB LYS 2 25.412 -31.311 -5.135 16 HG2 LYS 2 2HG LYS 2 27.771 -31.139 -4.375 17 HG3 LYS 2 3HG LYS 2 27.823 -32.902 -4.162 18 HD2 LYS 2 2HD LYS 2 27.465 -33.265 -6.530 19 HD3 LYS 2 3HD LYS 2 27.064 -31.550 -6.790 20 HE2 LYS 2 2HE LYS 2 29.350 -30.901 -6.092 21 HE3 LYS 2 3HE LYS 2 29.777 -32.605 -5.882 22 HZ1 LYS 2 1HZ LYS 2 30.483 -31.726 -8.018 23 HZ2 LYS 2 2HZ LYS 2 29.385 -32.932 -8.232 24 HZ3 LYS 2 3HZ LYS 2 28.935 -31.359 -8.426 25 H GLN 3 H GLN 3 24.861 -29.403 -3.606 26 HA GLN 3 HA GLN 3 21.974 -29.729 -3.375 27 HB2 GLN 3 2HB GLN 3 23.478 -28.572 -1.251 28 HB3 GLN 3 3HB GLN 3 22.980 -27.194 -2.217 29 HG2 GLN 3 2HG GLN 3 21.280 -27.498 -0.599 30 HG3 GLN 3 3HG GLN 3 20.599 -28.091 -2.117 31 HE21 GLN 3 1HE2 GLN 3 19.119 -29.654 -1.279 32 HE22 GLN 3 2HE2 GLN 3 19.674 -31.002 -0.300 33 H ASP 4 H ASP 4 21.016 -27.685 -4.457 34 HA ASP 4 HA ASP 4 22.919 -26.607 -6.493 35 HB2 ASP 4 2HB ASP 4 20.540 -28.017 -6.915 36 HB3 ASP 4 3HB ASP 4 20.030 -26.341 -7.066 37 H GLY 5 H GLY 5 19.811 -25.753 -5.009 38 HA2 GLY 5 2HA GLY 5 20.333 -23.877 -3.164 39 HA3 GLY 5 3HA GLY 5 20.555 -22.957 -4.678 40 H GLU 6 H GLU 6 18.591 -21.710 -4.162 41 HA GLU 6 HA GLU 6 16.470 -22.913 -5.635 42 HB2 GLU 6 2HB GLU 6 16.044 -23.122 -2.922 43 HB3 GLU 6 3HB GLU 6 15.390 -21.503 -3.229 44 HG2 GLU 6 2HG GLU 6 14.001 -22.482 -5.092 45 HG3 GLU 6 3HG GLU 6 14.658 -24.076 -4.708 46 H GLU 7 H GLU 7 14.901 -20.951 -6.244 47 HA GLU 7 HA GLU 7 16.299 -18.402 -5.999 48 HB2 GLU 7 2HB GLU 7 16.993 -19.921 -8.141 49 HB3 GLU 7 3HB GLU 7 15.524 -19.209 -8.796 50 HG2 GLU 7 2HG GLU 7 16.564 -17.229 -9.156 51 HG3 GLU 7 3HG GLU 7 17.135 -17.137 -7.495 52 H GLY 8 H GLY 8 14.857 -16.646 -6.956 53 HA2 GLY 8 2HA GLY 8 12.098 -17.281 -6.078 54 HA3 GLY 8 3HA GLY 8 12.897 -15.707 -6.132 55 H THR 9 H THR 9 11.436 -14.542 -7.501 56 HA THR 9 HA THR 9 11.484 -15.362 -10.284 57 HB THR 9 HB THR 9 9.708 -16.807 -9.436 58 HG1 THR 9 1HG THR 9 9.363 -16.228 -11.457 59 HG21 THR 9 1HG2 THR 9 8.850 -15.655 -7.536 60 HG22 THR 9 2HG2 THR 9 8.384 -14.237 -8.493 61 HG23 THR 9 3HG2 THR 9 7.533 -15.774 -8.721 62 H GLU 10 H GLU 10 8.967 -13.592 -10.586 63 HA GLU 10 HA GLU 10 10.273 -11.260 -11.323 64 HB2 GLU 10 2HB GLU 10 8.004 -12.257 -11.969 65 HB3 GLU 10 3HB GLU 10 7.347 -11.466 -10.531 66 HG2 GLU 10 2HG GLU 10 8.063 -9.262 -11.422 67 HG3 GLU 10 3HG GLU 10 8.856 -10.058 -12.790 68 H GLU 11 H GLU 11 8.246 -11.754 -8.365 69 HA GLU 11 HA GLU 11 8.214 -10.688 -6.373 70 HB2 GLU 11 2HB GLU 11 11.166 -11.026 -6.978 71 HB3 GLU 11 3HB GLU 11 10.612 -10.374 -5.430 72 HG2 GLU 11 2HG GLU 11 9.207 -12.342 -5.042 73 HG3 GLU 11 3HG GLU 11 9.786 -13.061 -6.561 74 H ASP 12 H ASP 12 7.341 -8.758 -7.924 75 HA ASP 12 HA ASP 12 8.931 -6.347 -7.174 76 HB2 ASP 12 2HB ASP 12 8.391 -7.331 -9.883 77 HB3 ASP 12 3HB ASP 12 7.642 -5.758 -9.624 78 H THR 13 H THR 13 7.693 -5.503 -5.681 79 HA THR 13 HA THR 13 5.818 -5.278 -4.315 80 HB THR 13 HB THR 13 5.083 -3.810 -6.876 81 HG1 THR 13 1HG THR 13 6.694 -2.943 -4.712 82 HG21 THR 13 1HG2 THR 13 4.303 -2.035 -5.257 83 HG22 THR 13 2HG2 THR 13 3.293 -3.482 -5.251 84 HG23 THR 13 3HG2 THR 13 4.463 -3.222 -3.938 85 H GLU 14 H GLU 14 5.625 -7.823 -5.267 86 HA GLU 14 HA GLU 14 3.196 -8.290 -6.684 87 HB2 GLU 14 2HB GLU 14 5.386 -9.585 -6.699 88 HB3 GLU 14 3HB GLU 14 4.900 -10.304 -5.158 89 HG2 GLU 14 2HG GLU 14 2.823 -11.167 -6.267 90 HG3 GLU 14 3HG GLU 14 3.364 -10.457 -7.795 91 H GLU 15 H GLU 15 4.157 -9.388 -3.392 92 HA GLU 15 HA GLU 15 1.657 -8.283 -2.308 93 HB2 GLU 15 2HB GLU 15 2.233 -11.265 -2.151 94 HB3 GLU 15 3HB GLU 15 1.276 -10.393 -0.949 95 HG2 GLU 15 2HG GLU 15 -0.171 -9.557 -2.908 96 HG3 GLU 15 3HG GLU 15 0.560 -10.890 -3.828 97 H LYS 16 H LYS 16 3.614 -6.911 -1.681 98 HA LYS 16 HA LYS 16 4.871 -7.995 0.816 99 HB2 LYS 16 2HB LYS 16 6.216 -6.223 -1.266 100 HB3 LYS 16 3HB LYS 16 6.941 -6.917 0.195 101 HG2 LYS 16 2HG LYS 16 6.362 -9.202 -0.735 102 HG3 LYS 16 3HG LYS 16 5.919 -8.455 -2.243 103 HD2 LYS 16 2HD LYS 16 8.696 -8.122 -1.044 104 HD3 LYS 16 3HD LYS 16 8.233 -9.521 -2.029 105 HE2 LYS 16 2HE LYS 16 7.485 -7.932 -3.825 106 HE3 LYS 16 3HE LYS 16 8.211 -6.607 -2.897 107 HZ1 LYS 16 1HZ LYS 16 9.746 -7.497 -4.578 108 HZ2 LYS 16 2HZ LYS 16 10.350 -7.825 -3.083 109 HZ3 LYS 16 3HZ LYS 16 9.628 -8.990 -3.985 110 H CYS 17 H CYS 17 4.071 -6.843 2.488 111 HA CYS 17 HA CYS 17 2.722 -4.241 2.204 112 HB2 CYS 17 2HB CYS 17 2.090 -5.935 3.888 113 HB3 CYS 17 3HB CYS 17 3.645 -5.682 4.707 114 H THR 18 H THR 18 3.877 -2.429 1.864 115 HA THR 18 HA THR 18 6.692 -2.311 2.800 116 HB THR 18 HB THR 18 6.621 -0.304 1.152 117 HG1 THR 18 1HG THR 18 4.554 -1.702 -0.096 118 HG21 THR 18 1HG2 THR 18 6.906 -1.849 -0.799 119 HG22 THR 18 2HG2 THR 18 7.778 -2.421 0.631 120 HG23 THR 18 3HG2 THR 18 6.253 -3.187 0.161 121 H ILE 19 H ILE 19 4.008 -1.924 4.347 122 HA ILE 19 HA ILE 19 4.651 0.686 5.576 123 HB ILE 19 HB ILE 19 2.182 -1.034 5.755 124 HG12 ILE 19 2HG1 ILE 19 3.058 1.085 3.826 125 HG13 ILE 19 3HG1 ILE 19 2.058 -0.381 3.603 126 HG21 ILE 19 1HG2 ILE 19 2.484 0.302 7.756 127 HG22 ILE 19 2HG2 ILE 19 2.983 1.693 6.793 128 HG23 ILE 19 3HG2 ILE 19 1.289 1.158 6.800 129 HD11 ILE 19 1HD1 ILE 19 1.141 2.169 4.875 130 HD12 ILE 19 2HD1 ILE 19 0.803 1.613 3.230 131 HD13 ILE 19 3HD1 ILE 19 0.205 0.656 4.600 132 H CYS 20 H CYS 20 3.262 -2.468 6.705 133 HA CYS 20 HA CYS 20 4.611 -2.345 9.304 134 HB2 CYS 20 2HB CYS 20 3.534 -4.899 8.183 135 HB3 CYS 20 3HB CYS 20 3.502 -4.267 9.820 136 H LEU 21 H LEU 21 5.982 -2.828 6.307 137 HA LEU 21 HA LEU 21 7.884 -3.758 5.559 138 HB2 LEU 21 2HB LEU 21 8.684 -3.806 8.491 139 HB3 LEU 21 3HB LEU 21 9.761 -3.737 7.098 140 HG LEU 21 HG LEU 21 7.789 -1.557 7.923 141 HD11 LEU 21 1HD1 LEU 21 9.749 -0.292 8.621 142 HD12 LEU 21 2HD1 LEU 21 9.605 -1.802 9.530 143 HD13 LEU 21 3HD1 LEU 21 10.805 -1.671 8.224 144 HD21 LEU 21 1HD2 LEU 21 9.974 -1.550 5.795 145 HD22 LEU 21 2HD2 LEU 21 8.219 -1.523 5.487 146 HD23 LEU 21 3HD2 LEU 21 8.991 -0.152 6.286 147 H SER 22 H SER 22 6.180 -5.687 5.242 148 HA SER 22 HA SER 22 7.589 -8.108 6.022 149 HB2 SER 22 2HB SER 22 5.078 -8.816 6.940 150 HB3 SER 22 3HB SER 22 6.471 -8.420 7.953 151 HG SER 22 HG SER 22 5.731 -6.375 8.225 152 H ILE 23 H ILE 23 6.843 -9.963 4.855 153 HA ILE 23 HA ILE 23 5.481 -9.295 2.334 154 HB ILE 23 HB ILE 23 6.556 -11.985 3.269 155 HG12 ILE 23 2HG1 ILE 23 8.455 -10.538 3.582 156 HG13 ILE 23 3HG1 ILE 23 8.689 -11.488 2.129 157 HG21 ILE 23 1HG2 ILE 23 6.938 -12.175 0.727 158 HG22 ILE 23 2HG2 ILE 23 5.273 -12.207 1.297 159 HG23 ILE 23 3HG2 ILE 23 5.917 -10.733 0.583 160 HD11 ILE 23 1HD1 ILE 23 9.401 -9.151 1.813 161 HD12 ILE 23 2HD1 ILE 23 8.071 -9.574 0.725 162 HD13 ILE 23 3HD1 ILE 23 7.763 -8.577 2.168 163 H LEU 24 H LEU 24 3.574 -10.525 1.667 164 HA LEU 24 HA LEU 24 1.949 -11.448 3.973 165 HB2 LEU 24 2HB LEU 24 0.987 -10.165 1.383 166 HB3 LEU 24 3HB LEU 24 0.042 -10.534 2.817 167 HG LEU 24 HG LEU 24 2.363 -8.537 2.663 168 HD11 LEU 24 1HD1 LEU 24 0.535 -8.011 1.187 169 HD12 LEU 24 2HD1 LEU 24 -0.639 -8.164 2.517 170 HD13 LEU 24 3HD1 LEU 24 0.585 -6.869 2.543 171 HD21 LEU 24 1HD2 LEU 24 2.050 -9.377 4.912 172 HD22 LEU 24 2HD2 LEU 24 1.386 -7.740 4.818 173 HD23 LEU 24 3HD2 LEU 24 0.290 -9.144 4.807 174 H GLU 25 H GLU 25 1.534 -11.750 0.463 175 HA GLU 25 HA GLU 25 0.856 -13.441 -0.827 176 HB2 GLU 25 2HB GLU 25 2.574 -15.098 -1.195 177 HB3 GLU 25 3HB GLU 25 3.234 -13.480 -0.987 178 HG2 GLU 25 2HG GLU 25 3.884 -14.056 1.360 179 HG3 GLU 25 3HG GLU 25 3.268 -15.694 1.113 180 H GLU 26 H GLU 26 -0.601 -13.453 1.596 181 HA GLU 26 HA GLU 26 -1.341 -16.319 1.674 182 HB2 GLU 26 2HB GLU 26 -0.413 -14.529 3.854 183 HB3 GLU 26 3HB GLU 26 -1.885 -15.373 4.258 184 HG2 GLU 26 2HG GLU 26 0.581 -16.808 3.201 185 HG3 GLU 26 3HG GLU 26 0.277 -16.521 4.914 186 H GLY 27 H GLY 27 -2.447 -13.957 0.307 187 HA2 GLY 27 2HA GLY 27 -4.560 -13.042 -0.168 188 HA3 GLY 27 3HA GLY 27 -5.237 -14.499 0.590 189 H GLU 28 H GLU 28 -3.110 -12.296 2.267 190 HA GLU 28 HA GLU 28 -4.838 -11.587 4.428 191 HB2 GLU 28 2HB GLU 28 -2.356 -10.384 3.146 192 HB3 GLU 28 3HB GLU 28 -3.135 -9.566 4.491 193 HG2 GLU 28 2HG GLU 28 -2.377 -12.489 4.757 194 HG3 GLU 28 3HG GLU 28 -1.177 -11.210 4.986 195 H ASP 29 H ASP 29 -5.649 -9.288 4.841 196 HA ASP 29 HA ASP 29 -7.194 -8.221 2.721 197 HB2 ASP 29 2HB ASP 29 -6.081 -6.933 5.260 198 HB3 ASP 29 3HB ASP 29 -7.126 -6.126 4.084 199 H VAL 30 H VAL 30 -6.666 -6.847 1.064 200 HA VAL 30 HA VAL 30 -4.252 -5.187 1.332 201 HB VAL 30 HB VAL 30 -4.799 -6.578 -1.297 202 HG11 VAL 30 1HG1 VAL 30 -2.340 -5.217 -0.128 203 HG12 VAL 30 2HG1 VAL 30 -2.435 -6.006 -1.710 204 HG13 VAL 30 3HG1 VAL 30 -3.402 -4.562 -1.410 205 HG21 VAL 30 1HG2 VAL 30 -2.887 -7.519 0.893 206 HG22 VAL 30 2HG2 VAL 30 -4.252 -8.424 0.198 207 HG23 VAL 30 3HG2 VAL 30 -2.843 -8.083 -0.790 208 H ARG 31 H ARG 31 -4.413 -3.275 0.001 209 HA ARG 31 HA ARG 31 -6.850 -2.890 -1.541 210 HB2 ARG 31 2HB ARG 31 -7.440 -2.039 0.769 211 HB3 ARG 31 3HB ARG 31 -6.089 -0.905 0.648 212 HG2 ARG 31 2HG ARG 31 -8.001 0.355 0.039 213 HG3 ARG 31 3HG ARG 31 -7.183 -0.001 -1.481 214 HD2 ARG 31 2HD ARG 31 -9.436 -0.395 -1.942 215 HD3 ARG 31 3HD ARG 31 -8.810 -2.031 -1.669 216 HE ARG 31 HE ARG 31 -9.658 -1.481 0.796 217 HH11 ARG 31 1HH1 ARG 31 -13.125 -1.192 0.786 218 HH12 ARG 31 2HH1 ARG 31 -11.681 -1.494 1.711 219 HH21 ARG 31 1HH2 ARG 31 -12.901 -1.111 -1.611 220 HH22 ARG 31 2HH2 ARG 31 -11.311 -1.168 -2.293 221 H ARG 32 H ARG 32 -5.785 -2.543 -3.441 222 HA ARG 32 HA ARG 32 -3.242 -1.049 -3.463 223 HB2 ARG 32 2HB ARG 32 -3.192 -1.536 -5.861 224 HB3 ARG 32 3HB ARG 32 -3.456 -3.006 -4.922 225 HG2 ARG 32 2HG ARG 32 -5.030 -3.373 -6.528 226 HG3 ARG 32 3HG ARG 32 -6.050 -2.431 -5.440 227 HD2 ARG 32 2HD ARG 32 -5.425 -0.366 -6.781 228 HD3 ARG 32 3HD ARG 32 -4.540 -1.429 -7.888 229 HE ARG 32 HE ARG 32 -7.164 -2.431 -7.601 230 HH11 ARG 32 1HH1 ARG 32 -8.586 -0.683 -10.319 231 HH12 ARG 32 2HH1 ARG 32 -8.763 -2.018 -9.244 232 HH21 ARG 32 1HH2 ARG 32 -6.669 0.732 -10.131 233 HH22 ARG 32 2HH2 ARG 32 -5.528 0.416 -8.867 234 H LEU 33 H LEU 33 -3.014 1.021 -4.248 235 HA LEU 33 HA LEU 33 -5.495 2.578 -4.504 236 HB2 LEU 33 2HB LEU 33 -3.061 4.130 -4.738 237 HB3 LEU 33 3HB LEU 33 -4.401 4.169 -3.566 238 HG LEU 33 HG LEU 33 -2.086 2.276 -3.308 239 HD11 LEU 33 1HD1 LEU 33 -0.771 3.629 -2.113 240 HD12 LEU 33 2HD1 LEU 33 -1.286 4.674 -3.403 241 HD13 LEU 33 3HD1 LEU 33 -2.029 4.832 -1.784 242 HD21 LEU 33 1HD2 LEU 33 -2.756 2.233 -0.945 243 HD22 LEU 33 2HD2 LEU 33 -3.984 3.483 -1.243 244 HD23 LEU 33 3HD2 LEU 33 -4.171 1.861 -1.933 245 HA PRO 34 HA PRO 34 -5.084 3.250 -8.825 246 HB2 PRO 34 2HB PRO 34 -5.116 5.949 -9.328 247 HB3 PRO 34 3HB PRO 34 -6.539 5.019 -8.764 248 HG2 PRO 34 2HG PRO 34 -4.636 6.693 -7.108 249 HG3 PRO 34 3HG PRO 34 -6.427 6.651 -7.054 250 HD2 PRO 34 2HD PRO 34 -4.855 5.298 -5.312 251 HD3 PRO 34 3HD PRO 34 -6.426 4.635 -5.843 252 H CYS 35 H CYS 35 -2.559 4.797 -6.839 253 HA CYS 35 HA CYS 35 -0.773 5.259 -9.194 254 HB2 CYS 35 2HB CYS 35 0.454 6.544 -7.827 255 HB3 CYS 35 3HB CYS 35 -1.124 6.804 -7.089 256 H MET 36 H MET 36 -1.732 2.568 -8.527 257 HA MET 36 HA MET 36 -1.180 0.534 -7.894 258 HB2 MET 36 2HB MET 36 0.963 1.344 -9.877 259 HB3 MET 36 3HB MET 36 0.700 -0.346 -9.383 260 HG2 MET 36 2HG MET 36 -1.528 -0.373 -10.215 261 HG3 MET 36 3HG MET 36 -1.602 1.381 -10.325 262 HE1 MET 36 1HE MET 36 -1.780 2.487 -12.387 263 HE2 MET 36 2HE MET 36 -1.721 1.610 -13.934 264 HE3 MET 36 3HE MET 36 -2.795 1.046 -12.630 265 H HIS 37 H HIS 37 -0.871 1.086 -5.707 266 HA HIS 37 HA HIS 37 1.752 0.086 -4.831 267 HB2 HIS 37 1HB HIS 37 0.588 2.760 -4.151 268 HB3 HIS 37 2HB HIS 37 1.136 1.793 -2.780 269 HD2 HIS 37 2HD HIS 37 3.688 0.974 -2.714 270 HE1 HIS 37 1HE HIS 37 5.169 3.635 -5.692 271 HE2 HIS 37 2HE HIS 37 5.828 1.975 -3.865 272 H LEU 38 H LEU 38 1.135 -1.869 -4.022 273 HA LEU 38 HA LEU 38 -1.489 -2.074 -2.647 274 HB2 LEU 38 2HB LEU 38 -1.352 -4.342 -2.798 275 HB3 LEU 38 3HB LEU 38 -0.752 -3.769 -4.341 276 HG LEU 38 HG LEU 38 1.618 -3.947 -3.084 277 HD11 LEU 38 1HD1 LEU 38 1.698 -5.826 -1.541 278 HD12 LEU 38 2HD1 LEU 38 0.511 -4.694 -0.901 279 HD13 LEU 38 3HD1 LEU 38 -0.040 -6.139 -1.744 280 HD21 LEU 38 1HD2 LEU 38 1.773 -6.221 -4.016 281 HD22 LEU 38 2HD2 LEU 38 0.006 -6.300 -4.166 282 HD23 LEU 38 3HD2 LEU 38 0.936 -5.132 -5.131 283 H PHE 39 H PHE 39 -1.567 -2.768 -0.525 284 HA PHE 39 HA PHE 39 0.910 -2.637 1.060 285 HB2 PHE 39 2HB PHE 39 -1.506 -0.861 1.568 286 HB3 PHE 39 3HB PHE 39 -0.176 -1.099 2.699 287 HD1 PHE 39 1HD PHE 39 2.289 -0.779 1.291 288 HD2 PHE 39 2HD PHE 39 -1.446 1.219 0.539 289 HE1 PHE 39 1HE PHE 39 3.513 1.218 0.505 290 HE2 PHE 39 2HE PHE 39 -0.219 3.264 -0.101 291 HZ PHE 39 HZ PHE 39 2.265 3.262 -0.175 292 H HIS 40 H HIS 40 -2.106 -2.394 2.792 293 HA HIS 40 HA HIS 40 -2.372 -5.358 3.020 294 HB2 HIS 40 1HB HIS 40 -0.502 -4.078 4.454 295 HB3 HIS 40 2HB HIS 40 -1.877 -3.682 5.463 296 HD2 HIS 40 2HD HIS 40 -3.010 -6.982 5.017 297 HE1 HIS 40 1HE HIS 40 0.289 -7.481 7.678 298 HE2 HIS 40 2HE HIS 40 -1.808 -8.577 6.736 299 H GLN 41 H GLN 41 -4.107 -2.886 2.324 300 HA GLN 41 HA GLN 41 -5.948 -1.765 2.790 301 HB2 GLN 41 2HB GLN 41 -6.950 -4.014 2.670 302 HB3 GLN 41 3HB GLN 41 -6.777 -4.143 4.437 303 HG2 GLN 41 2HG GLN 41 -8.469 -2.656 4.883 304 HG3 GLN 41 3HG GLN 41 -8.166 -1.713 3.421 305 HE21 GLN 41 1HE2 GLN 41 -9.265 -5.213 4.104 306 HE22 GLN 41 2HE2 GLN 41 -10.498 -5.093 2.905 307 H VAL 42 H VAL 42 -5.523 -3.332 6.042 308 HA VAL 42 HA VAL 42 -6.283 -0.909 7.341 309 HB VAL 42 HB VAL 42 -4.784 -3.309 8.469 310 HG11 VAL 42 1HG1 VAL 42 -6.486 -1.142 9.793 311 HG12 VAL 42 2HG1 VAL 42 -5.849 -2.586 10.611 312 HG13 VAL 42 3HG1 VAL 42 -4.735 -1.357 9.991 313 HG21 VAL 42 1HG2 VAL 42 -7.771 -2.709 8.210 314 HG22 VAL 42 2HG2 VAL 42 -6.895 -4.033 7.412 315 HG23 VAL 42 3HG2 VAL 42 -7.086 -4.041 9.162 316 H CYS 43 H CYS 43 -3.002 -2.314 6.684 317 HA CYS 43 HA CYS 43 -1.456 -0.457 8.153 318 HB2 CYS 43 2HB CYS 43 -0.828 -1.780 5.490 319 HB3 CYS 43 3HB CYS 43 0.264 -0.813 6.458 320 H VAL 44 H VAL 44 -2.620 -0.039 4.744 321 HA VAL 44 HA VAL 44 -1.358 2.450 4.452 322 HB VAL 44 HB VAL 44 -2.094 1.487 2.525 323 HG11 VAL 44 1HG1 VAL 44 -4.463 1.155 1.840 324 HG12 VAL 44 2HG1 VAL 44 -3.906 0.067 3.111 325 HG13 VAL 44 3HG1 VAL 44 -4.934 1.470 3.518 326 HG21 VAL 44 1HG2 VAL 44 -3.362 3.214 1.371 327 HG22 VAL 44 2HG2 VAL 44 -4.011 3.817 2.906 328 HG23 VAL 44 3HG2 VAL 44 -2.278 3.966 2.549 329 H ASP 45 H ASP 45 -4.519 1.721 6.036 330 HA ASP 45 HA ASP 45 -4.862 4.582 6.632 331 HB2 ASP 45 2HB ASP 45 -6.766 2.963 6.144 332 HB3 ASP 45 3HB ASP 45 -6.472 2.254 7.734 333 H GLN 46 H GLN 46 -2.406 3.485 7.504 334 HA GLN 46 HA GLN 46 -2.636 3.975 10.396 335 HB2 GLN 46 2HB GLN 46 -2.526 1.467 9.703 336 HB3 GLN 46 3HB GLN 46 -0.824 1.766 9.357 337 HG2 GLN 46 2HG GLN 46 -1.956 2.605 12.032 338 HG3 GLN 46 3HG GLN 46 -1.684 0.895 11.708 339 HE21 GLN 46 1HE2 GLN 46 0.259 0.183 12.526 340 HE22 GLN 46 2HE2 GLN 46 1.715 1.168 12.521 341 H ARG 47 H ARG 47 -0.259 3.336 7.736 342 HA ARG 47 HA ARG 47 1.498 5.428 8.731 343 HB2 ARG 47 2HB ARG 47 2.344 3.532 7.539 344 HB3 ARG 47 3HB ARG 47 1.457 3.986 6.067 345 HG2 ARG 47 2HG ARG 47 2.867 6.084 5.953 346 HG3 ARG 47 3HG ARG 47 3.746 5.505 7.388 347 HD2 ARG 47 2HD ARG 47 4.129 3.335 6.008 348 HD3 ARG 47 3HD ARG 47 3.624 4.288 4.599 349 HE ARG 47 HE ARG 47 5.620 5.743 5.939 350 HH11 ARG 47 1HH1 ARG 47 8.485 4.119 4.640 351 HH12 ARG 47 2HH1 ARG 47 7.916 5.485 5.531 352 HH21 ARG 47 1HH2 ARG 47 6.936 2.383 3.973 353 HH22 ARG 47 2HH2 ARG 47 5.286 2.656 4.231 354 H LEU 48 H LEU 48 -1.026 5.339 6.137 355 HA LEU 48 HA LEU 48 -0.078 7.948 5.208 356 HB2 LEU 48 2HB LEU 48 -2.427 6.245 4.305 357 HB3 LEU 48 3HB LEU 48 -2.073 7.828 3.674 358 HG LEU 48 HG LEU 48 -1.277 6.035 2.214 359 HD11 LEU 48 1HD1 LEU 48 -0.215 8.261 2.154 360 HD12 LEU 48 2HD1 LEU 48 1.011 7.709 3.320 361 HD13 LEU 48 3HD1 LEU 48 0.908 6.963 1.715 362 HD21 LEU 48 1HD2 LEU 48 0.925 5.452 4.221 363 HD22 LEU 48 2HD2 LEU 48 -0.535 4.454 4.077 364 HD23 LEU 48 3HD2 LEU 48 0.567 4.615 2.699 365 H ILE 49 H ILE 49 -3.051 6.752 6.793 366 HA ILE 49 HA ILE 49 -4.885 7.887 7.599 367 HB ILE 49 HB ILE 49 -2.538 8.816 9.275 368 HG12 ILE 49 2HG1 ILE 49 -4.641 6.619 9.618 369 HG13 ILE 49 3HG1 ILE 49 -2.982 6.370 9.085 370 HG21 ILE 49 1HG2 ILE 49 -4.159 9.318 11.076 371 HG22 ILE 49 2HG2 ILE 49 -4.460 10.358 9.715 372 HG23 ILE 49 3HG2 ILE 49 -5.514 8.952 9.979 373 HD11 ILE 49 1HD1 ILE 49 -3.888 7.319 11.835 374 HD12 ILE 49 2HD1 ILE 49 -3.082 5.815 11.428 375 HD13 ILE 49 3HD1 ILE 49 -2.191 7.342 11.289 376 H THR 50 H THR 50 -5.816 9.214 6.082 377 HA THR 50 HA THR 50 -6.683 11.179 5.362 378 HB THR 50 HB THR 50 -4.718 12.741 7.069 379 HG1 THR 50 1HG THR 50 -6.037 12.416 8.737 380 HG21 THR 50 1HG2 THR 50 -7.544 13.356 6.156 381 HG22 THR 50 2HG2 THR 50 -6.501 14.393 7.150 382 HG23 THR 50 3HG2 THR 50 -6.068 14.054 5.464 383 H ASN 51 H ASN 51 -3.087 10.885 5.411 384 HA ASN 51 HA ASN 51 -2.744 12.684 3.199 385 HB2 ASN 51 2HB ASN 51 -1.022 11.509 4.929 386 HB3 ASN 51 3HB ASN 51 -0.832 10.400 3.568 387 HD21 ASN 51 1HD2 ASN 51 0.349 13.167 4.952 388 HD22 ASN 51 2HD2 ASN 51 0.940 14.018 3.544 389 H LYS 52 H LYS 52 -2.337 12.118 0.939 390 HA LYS 52 HA LYS 52 -3.284 9.507 0.017 391 HB2 LYS 52 2HB LYS 52 -5.198 10.492 -1.265 392 HB3 LYS 52 3HB LYS 52 -5.437 10.522 0.474 393 HG2 LYS 52 2HG LYS 52 -5.632 12.766 0.514 394 HG3 LYS 52 3HG LYS 52 -4.150 13.004 -0.416 395 HD2 LYS 52 2HD LYS 52 -5.444 12.417 -2.515 396 HD3 LYS 52 3HD LYS 52 -6.929 12.476 -1.543 397 HE2 LYS 52 2HE LYS 52 -4.872 14.709 -1.864 398 HE3 LYS 52 3HE LYS 52 -6.362 14.603 -2.781 399 HZ1 LYS 52 1HZ LYS 52 -7.602 14.800 -0.730 400 HZ2 LYS 52 2HZ LYS 52 -6.222 14.831 0.166 401 HZ3 LYS 52 3HZ LYS 52 -6.557 16.067 -0.873 402 H LYS 53 H LYS 53 -0.837 10.145 -0.497 403 HA LYS 53 HA LYS 53 -0.922 10.756 -3.311 404 HB2 LYS 53 2HB LYS 53 0.609 12.595 -3.421 405 HB3 LYS 53 3HB LYS 53 -0.788 13.024 -2.448 406 HG2 LYS 53 2HG LYS 53 0.731 13.823 -0.983 407 HG3 LYS 53 3HG LYS 53 0.888 12.144 -0.467 408 HD2 LYS 53 2HD LYS 53 2.705 11.975 -2.361 409 HD3 LYS 53 3HD LYS 53 2.670 13.740 -2.344 410 HE2 LYS 53 2HE LYS 53 3.293 11.857 -0.030 411 HE3 LYS 53 3HE LYS 53 4.446 12.900 -0.881 412 HZ1 LYS 53 1HZ LYS 53 2.173 13.798 0.770 413 HZ2 LYS 53 2HZ LYS 53 3.766 13.887 1.186 414 HZ3 LYS 53 3HZ LYS 53 3.188 14.806 -0.053 415 H CYS 54 H CYS 54 0.599 9.404 -4.350 416 HA CYS 54 HA CYS 54 2.469 7.696 -2.805 417 HB2 CYS 54 2HB CYS 54 1.989 8.333 -5.716 418 HB3 CYS 54 3HB CYS 54 3.467 7.527 -5.177 419 HA PRO 55 HA PRO 55 5.472 11.043 -2.580 420 HB2 PRO 55 2HB PRO 55 7.724 9.634 -1.889 421 HB3 PRO 55 3HB PRO 55 6.394 9.974 -0.742 422 HG2 PRO 55 2HG PRO 55 6.877 7.442 -2.332 423 HG3 PRO 55 3HG PRO 55 6.462 7.602 -0.599 424 HD2 PRO 55 2HD PRO 55 4.583 7.058 -2.508 425 HD3 PRO 55 3HD PRO 55 4.203 8.080 -1.086 426 H ILE 56 H ILE 56 6.360 8.030 -4.318 427 HA ILE 56 HA ILE 56 8.114 9.669 -6.010 428 HB ILE 56 HB ILE 56 7.760 6.660 -5.755 429 HG12 ILE 56 2HG1 ILE 56 10.186 8.383 -5.081 430 HG13 ILE 56 3HG1 ILE 56 8.915 8.088 -3.898 431 HG21 ILE 56 1HG2 ILE 56 9.695 8.270 -7.493 432 HG22 ILE 56 2HG2 ILE 56 9.816 6.521 -7.209 433 HG23 ILE 56 3HG2 ILE 56 8.426 7.173 -8.073 434 HD11 ILE 56 1HD1 ILE 56 10.591 5.921 -5.217 435 HD12 ILE 56 2HD1 ILE 56 10.721 6.511 -3.554 436 HD13 ILE 56 3HD1 ILE 56 9.257 5.652 -4.070 437 H CYS 57 H CYS 57 5.219 7.496 -6.411 438 HA CYS 57 HA CYS 57 5.007 7.818 -9.259 439 HB2 CYS 57 2HB CYS 57 2.515 7.671 -7.648 440 HB3 CYS 57 3HB CYS 57 2.973 6.827 -9.104 441 H ARG 58 H ARG 58 4.252 9.994 -6.572 442 HA ARG 58 HA ARG 58 3.405 12.076 -6.463 443 HB2 ARG 58 2HB ARG 58 5.500 12.331 -7.905 444 HB3 ARG 58 3HB ARG 58 4.422 12.362 -9.306 445 HG2 ARG 58 2HG ARG 58 3.198 14.309 -8.057 446 HG3 ARG 58 3HG ARG 58 4.615 14.360 -7.013 447 HD2 ARG 58 2HD ARG 58 5.211 14.277 -9.934 448 HD3 ARG 58 3HD ARG 58 4.277 15.690 -9.429 449 HE ARG 58 HE ARG 58 6.338 15.535 -7.597 450 HH11 ARG 58 1HH1 ARG 58 8.735 17.409 -9.399 451 HH12 ARG 58 2HH1 ARG 58 8.225 16.897 -7.834 452 HH21 ARG 58 1HH2 ARG 58 7.496 16.753 -11.319 453 HH22 ARG 58 2HH2 ARG 58 6.093 15.770 -11.102 454 H VAL 59 H VAL 59 1.402 10.474 -6.708 455 HA VAL 59 HA VAL 59 -0.491 11.775 -8.581 456 HB VAL 59 HB VAL 59 0.056 8.817 -8.164 457 HG11 VAL 59 1HG1 VAL 59 -2.539 10.028 -9.208 458 HG12 VAL 59 2HG1 VAL 59 -2.059 8.329 -9.406 459 HG13 VAL 59 3HG1 VAL 59 -2.340 8.972 -7.791 460 HG21 VAL 59 1HG2 VAL 59 -0.468 10.476 -10.667 461 HG22 VAL 59 2HG2 VAL 59 1.129 9.970 -10.094 462 HG23 VAL 59 3HG2 VAL 59 -0.040 8.752 -10.618 463 H ASP 60 H ASP 60 -2.402 12.303 -7.530 464 HA ASP 60 HA ASP 60 -2.619 11.953 -4.672 465 HB2 ASP 60 2HB ASP 60 -4.314 13.147 -6.850 466 HB3 ASP 60 3HB ASP 60 -5.115 12.618 -5.367 467 H ILE 61 H ILE 61 -3.263 10.188 -3.707 468 HA ILE 61 HA ILE 61 -4.000 7.774 -5.028 469 HB ILE 61 HB ILE 61 -4.129 8.673 -2.121 470 HG12 ILE 61 2HG1 ILE 61 -1.904 8.965 -2.760 471 HG13 ILE 61 3HG1 ILE 61 -1.909 7.399 -1.978 472 HG21 ILE 61 1HG2 ILE 61 -3.586 5.882 -2.950 473 HG22 ILE 61 2HG2 ILE 61 -4.086 6.500 -1.374 474 HG23 ILE 61 3HG2 ILE 61 -5.267 6.402 -2.713 475 HD11 ILE 61 1HD1 ILE 61 -1.740 8.128 -4.920 476 HD12 ILE 61 2HD1 ILE 61 -0.589 7.257 -3.900 477 HD13 ILE 61 3HD1 ILE 61 -2.112 6.478 -4.407 478 H GLU 62 H GLU 62 -5.762 10.392 -3.583 479 HA GLU 62 HA GLU 62 -7.959 10.727 -2.996 480 HB2 GLU 62 2HB GLU 62 -7.577 11.274 -5.383 481 HB3 GLU 62 3HB GLU 62 -8.299 9.715 -5.828 482 HG2 GLU 62 2HG GLU 62 -10.362 10.439 -4.466 483 HG3 GLU 62 3HG GLU 62 -9.605 12.024 -4.311 484 H ALA 63 H ALA 63 -8.245 9.127 -1.282 485 HA ALA 63 HA ALA 63 -10.177 7.074 -2.026 486 HB1 ALA 63 1HB ALA 63 -8.960 5.381 -0.685 487 HB2 ALA 63 2HB ALA 63 -7.995 5.879 -2.097 488 HB3 ALA 63 3HB ALA 63 -7.603 6.510 -0.478 489 H GLN 64 H GLN 64 -11.191 6.264 0.022 490 HA GLN 64 HA GLN 64 -10.910 8.177 2.265 491 HB2 GLN 64 2HB GLN 64 -12.767 8.870 0.804 492 HB3 GLN 64 3HB GLN 64 -13.489 7.260 0.923 493 HG2 GLN 64 2HG GLN 64 -13.806 7.580 3.370 494 HG3 GLN 64 3HG GLN 64 -13.013 9.161 3.274 495 HE21 GLN 64 1HE2 GLN 64 -14.274 10.966 2.680 496 HE22 GLN 64 2HE2 GLN 64 -15.948 10.806 2.161 497 H LEU 65 H LEU 65 -9.719 6.568 3.273 498 HA LEU 65 HA LEU 65 -11.013 3.969 3.887 499 HB2 LEU 65 2HB LEU 65 -8.231 4.975 3.779 500 HB3 LEU 65 3HB LEU 65 -8.578 4.018 5.220 501 HG LEU 65 HG LEU 65 -9.542 2.951 2.572 502 HD11 LEU 65 1HD1 LEU 65 -7.310 1.825 2.284 503 HD12 LEU 65 2HD1 LEU 65 -7.295 3.576 1.988 504 HD13 LEU 65 3HD1 LEU 65 -6.661 2.934 3.519 505 HD21 LEU 65 1HD2 LEU 65 -8.255 1.572 4.970 506 HD22 LEU 65 2HD2 LEU 65 -9.999 1.858 4.829 507 HD23 LEU 65 3HD2 LEU 65 -9.170 0.817 3.652 508 HA PRO 66 HA PRO 66 -10.942 5.866 8.168 509 HB2 PRO 66 2HB PRO 66 -9.842 8.280 8.772 510 HB3 PRO 66 3HB PRO 66 -8.841 6.803 8.615 511 HG2 PRO 66 2HG PRO 66 -9.339 8.947 6.530 512 HG3 PRO 66 3HG PRO 66 -7.769 8.245 7.039 513 HD2 PRO 66 2HD PRO 66 -9.173 7.410 4.842 514 HD3 PRO 66 3HD PRO 66 -8.148 6.294 5.793 515 H SER 67 H SER 67 -12.200 7.724 9.258 516 HA SER 67 HA SER 67 -14.520 8.224 7.735 517 HB2 SER 67 2HB SER 67 -14.296 8.001 10.244 518 HB3 SER 67 3HB SER 67 -13.652 9.654 10.279 519 HG SER 67 HG SER 67 -15.882 9.654 10.653 520 H GLU 68 H GLU 68 -11.802 10.384 8.547 521 HA GLU 68 HA GLU 68 -11.423 12.585 8.261 522 HB2 GLU 68 2HB GLU 68 -12.477 11.892 5.517 523 HB3 GLU 68 3HB GLU 68 -12.003 13.546 5.952 524 HG2 GLU 68 2HG GLU 68 -9.789 12.716 6.711 525 HG3 GLU 68 3HG GLU 68 -10.219 11.093 6.168 526 H SER 69 H SER 69 -12.756 13.107 10.021 527 HA SER 69 HA SER 69 -14.730 15.061 9.298 528 HB2 SER 69 2HB SER 69 -16.108 12.965 9.613 529 HB3 SER 69 3HB SER 69 -15.433 12.830 11.254 530 HG SER 69 HG SER 69 -16.218 15.086 11.473 Start of MODEL 26 1 H1 MET 1 H1 MET 1 28.661 -31.489 -4.116 2 H2 MET 1 H2 MET 1 30.178 -31.470 -3.475 3 H3 MET 1 H3 MET 1 29.956 -31.151 -5.077 4 HA MET 1 HA MET 1 30.849 -33.328 -4.779 5 HB2 MET 1 2HB MET 1 28.400 -33.695 -3.045 6 HB3 MET 1 3HB MET 1 29.202 -35.065 -3.843 7 HG2 MET 1 2HG MET 1 31.339 -34.493 -2.805 8 HG3 MET 1 3HG MET 1 30.627 -33.060 -2.061 9 HE1 MET 1 1HE MET 1 29.477 -36.906 -2.349 10 HE2 MET 1 2HE MET 1 31.197 -36.883 -1.889 11 HE3 MET 1 3HE MET 1 29.973 -37.440 -0.729 12 H LYS 2 H LYS 2 27.178 -33.078 -5.253 13 HA LYS 2 HA LYS 2 27.787 -34.080 -7.984 14 HB2 LYS 2 2HB LYS 2 26.692 -35.676 -6.269 15 HB3 LYS 2 3HB LYS 2 25.228 -34.711 -6.469 16 HG2 LYS 2 2HG LYS 2 25.350 -35.145 -8.954 17 HG3 LYS 2 3HG LYS 2 26.811 -36.115 -8.670 18 HD2 LYS 2 2HD LYS 2 25.404 -37.528 -7.055 19 HD3 LYS 2 3HD LYS 2 23.981 -36.691 -7.718 20 HE2 LYS 2 2HE LYS 2 24.680 -37.445 -10.016 21 HE3 LYS 2 3HE LYS 2 26.051 -38.296 -9.289 22 HZ1 LYS 2 1HZ LYS 2 23.193 -38.898 -8.884 23 HZ2 LYS 2 2HZ LYS 2 24.316 -39.841 -9.626 24 HZ3 LYS 2 3HZ LYS 2 24.400 -39.592 -8.005 25 H GLN 3 H GLN 3 24.769 -32.728 -6.454 26 HA GLN 3 HA GLN 3 25.168 -30.190 -7.803 27 HB2 GLN 3 2HB GLN 3 23.120 -30.304 -9.084 28 HB3 GLN 3 3HB GLN 3 24.265 -31.520 -9.624 29 HG2 GLN 3 2HG GLN 3 22.532 -32.700 -7.596 30 HG3 GLN 3 3HG GLN 3 21.531 -31.845 -8.758 31 HE21 GLN 3 1HE2 GLN 3 21.357 -34.621 -8.385 32 HE22 GLN 3 2HE2 GLN 3 21.916 -35.354 -9.889 33 H ASP 4 H ASP 4 24.063 -28.576 -6.730 34 HA ASP 4 HA ASP 4 21.740 -29.186 -5.171 35 HB2 ASP 4 2HB ASP 4 23.644 -29.766 -3.574 36 HB3 ASP 4 3HB ASP 4 24.148 -28.075 -3.662 37 H GLY 5 H GLY 5 20.560 -27.559 -6.034 38 HA2 GLY 5 2HA GLY 5 21.243 -24.816 -5.618 39 HA3 GLY 5 3HA GLY 5 21.477 -25.252 -7.326 40 H GLU 6 H GLU 6 19.357 -23.532 -5.828 41 HA GLU 6 HA GLU 6 17.136 -24.357 -7.434 42 HB2 GLU 6 2HB GLU 6 17.093 -25.595 -5.037 43 HB3 GLU 6 3HB GLU 6 16.482 -24.025 -4.503 44 HG2 GLU 6 2HG GLU 6 14.656 -24.188 -6.198 45 HG3 GLU 6 3HG GLU 6 15.347 -25.700 -6.794 46 H GLU 7 H GLU 7 15.313 -22.465 -6.909 47 HA GLU 7 HA GLU 7 16.499 -20.070 -5.837 48 HB2 GLU 7 2HB GLU 7 17.028 -20.536 -8.557 49 HB3 GLU 7 3HB GLU 7 15.609 -19.485 -8.595 50 HG2 GLU 7 2HG GLU 7 16.784 -17.899 -7.048 51 HG3 GLU 7 3HG GLU 7 18.187 -18.975 -7.033 52 H GLY 8 H GLY 8 14.738 -18.177 -6.671 53 HA2 GLY 8 2HA GLY 8 12.173 -19.215 -5.599 54 HA3 GLY 8 3HA GLY 8 12.679 -17.519 -5.701 55 H THR 9 H THR 9 11.101 -16.535 -7.044 56 HA THR 9 HA THR 9 11.018 -17.373 -9.775 57 HB THR 9 HB THR 9 9.441 -18.974 -8.732 58 HG1 THR 9 1HG THR 9 8.961 -18.463 -10.767 59 HG21 THR 9 1HG2 THR 9 8.671 -17.594 -6.831 60 HG22 THR 9 2HG2 THR 9 7.790 -16.537 -7.954 61 HG23 THR 9 3HG2 THR 9 7.326 -18.239 -7.794 62 H GLU 10 H GLU 10 8.490 -15.836 -10.117 63 HA GLU 10 HA GLU 10 9.497 -13.229 -10.440 64 HB2 GLU 10 2HB GLU 10 7.385 -14.519 -11.374 65 HB3 GLU 10 3HB GLU 10 6.583 -13.925 -9.928 66 HG2 GLU 10 2HG GLU 10 6.081 -12.323 -11.593 67 HG3 GLU 10 3HG GLU 10 7.378 -11.562 -10.661 68 H GLU 11 H GLU 11 9.980 -11.668 -8.843 69 HA GLU 11 HA GLU 11 8.088 -11.411 -6.636 70 HB2 GLU 11 2HB GLU 11 9.975 -13.111 -5.951 71 HB3 GLU 11 3HB GLU 11 11.009 -11.690 -5.852 72 HG2 GLU 11 2HG GLU 11 8.713 -10.840 -4.522 73 HG3 GLU 11 3HG GLU 11 8.734 -12.557 -4.130 74 H ASP 12 H ASP 12 7.586 -9.237 -7.290 75 HA ASP 12 HA ASP 12 9.596 -7.339 -6.564 76 HB2 ASP 12 2HB ASP 12 10.047 -7.835 -9.084 77 HB3 ASP 12 3HB ASP 12 8.517 -6.995 -9.382 78 H THR 13 H THR 13 8.509 -5.505 -5.918 79 HA THR 13 HA THR 13 6.663 -5.265 -4.274 80 HB THR 13 HB THR 13 5.564 -3.275 -5.311 81 HG1 THR 13 1HG THR 13 5.677 -4.151 -7.460 82 HG21 THR 13 1HG2 THR 13 8.591 -3.413 -5.663 83 HG22 THR 13 2HG2 THR 13 7.609 -1.954 -5.455 84 HG23 THR 13 3HG2 THR 13 7.737 -3.119 -4.125 85 H GLU 14 H GLU 14 5.804 -7.614 -4.822 86 HA GLU 14 HA GLU 14 3.373 -7.587 -6.409 87 HB2 GLU 14 2HB GLU 14 5.423 -9.443 -5.810 88 HB3 GLU 14 3HB GLU 14 3.990 -10.120 -5.055 89 HG2 GLU 14 2HG GLU 14 4.261 -9.249 -7.966 90 HG3 GLU 14 3HG GLU 14 4.274 -10.909 -7.374 91 H GLU 15 H GLU 15 3.969 -9.074 -3.129 92 HA GLU 15 HA GLU 15 1.617 -7.534 -2.168 93 HB2 GLU 15 2HB GLU 15 1.868 -10.555 -2.115 94 HB3 GLU 15 3HB GLU 15 0.903 -9.645 -0.933 95 HG2 GLU 15 2HG GLU 15 -0.319 -8.546 -2.840 96 HG3 GLU 15 3HG GLU 15 0.479 -9.689 -3.942 97 H LYS 16 H LYS 16 3.583 -6.397 -1.434 98 HA LYS 16 HA LYS 16 4.681 -7.565 1.103 99 HB2 LYS 16 2HB LYS 16 6.178 -5.830 -0.911 100 HB3 LYS 16 3HB LYS 16 6.827 -6.608 0.542 101 HG2 LYS 16 2HG LYS 16 6.107 -8.822 -0.478 102 HG3 LYS 16 3HG LYS 16 5.770 -7.995 -1.974 103 HD2 LYS 16 2HD LYS 16 8.532 -7.909 -0.704 104 HD3 LYS 16 3HD LYS 16 7.984 -9.263 -1.699 105 HE2 LYS 16 2HE LYS 16 7.404 -7.561 -3.508 106 HE3 LYS 16 3HE LYS 16 8.310 -6.371 -2.569 107 HZ1 LYS 16 1HZ LYS 16 9.324 -8.888 -3.762 108 HZ2 LYS 16 2HZ LYS 16 9.839 -7.364 -4.116 109 HZ3 LYS 16 3HZ LYS 16 10.173 -8.146 -2.688 110 H CYS 17 H CYS 17 3.804 -6.397 2.706 111 HA CYS 17 HA CYS 17 2.591 -3.694 2.499 112 HB2 CYS 17 2HB CYS 17 1.755 -5.479 4.010 113 HB3 CYS 17 3HB CYS 17 3.316 -5.529 4.818 114 H THR 18 H THR 18 4.137 -2.068 1.978 115 HA THR 18 HA THR 18 6.746 -2.305 3.386 116 HB THR 18 HB THR 18 7.574 -0.652 1.936 117 HG1 THR 18 1HG THR 18 5.959 0.771 1.853 118 HG21 THR 18 1HG2 THR 18 5.749 -2.337 0.167 119 HG22 THR 18 2HG2 THR 18 7.299 -1.614 -0.262 120 HG23 THR 18 3HG2 THR 18 7.247 -2.949 0.901 121 H ILE 19 H ILE 19 3.990 -1.654 4.624 122 HA ILE 19 HA ILE 19 4.566 1.003 5.774 123 HB ILE 19 HB ILE 19 2.143 -0.800 6.144 124 HG12 ILE 19 2HG1 ILE 19 2.901 1.051 3.920 125 HG13 ILE 19 3HG1 ILE 19 1.869 -0.405 3.927 126 HG21 ILE 19 1HG2 ILE 19 2.516 0.814 7.942 127 HG22 ILE 19 2HG2 ILE 19 2.727 2.109 6.757 128 HG23 ILE 19 3HG2 ILE 19 1.142 1.341 6.978 129 HD11 ILE 19 1HD1 ILE 19 1.081 2.321 4.896 130 HD12 ILE 19 2HD1 ILE 19 0.618 1.522 3.386 131 HD13 ILE 19 3HD1 ILE 19 0.087 0.824 4.926 132 H CYS 20 H CYS 20 3.567 -2.295 6.782 133 HA CYS 20 HA CYS 20 4.785 -2.114 9.497 134 HB2 CYS 20 2HB CYS 20 3.706 -4.297 9.715 135 HB3 CYS 20 3HB CYS 20 2.546 -3.048 9.246 136 H LEU 21 H LEU 21 6.012 -2.579 6.442 137 HA LEU 21 HA LEU 21 7.747 -3.718 5.547 138 HB2 LEU 21 2HB LEU 21 8.667 -3.355 8.419 139 HB3 LEU 21 3HB LEU 21 9.733 -3.967 7.156 140 HG LEU 21 HG LEU 21 8.239 -1.369 6.700 141 HD11 LEU 21 1HD1 LEU 21 9.306 -1.074 8.876 142 HD12 LEU 21 2HD1 LEU 21 10.849 -1.685 8.236 143 HD13 LEU 21 3HD1 LEU 21 10.174 -0.149 7.640 144 HD21 LEU 21 1HD2 LEU 21 10.180 -0.899 5.273 145 HD22 LEU 21 2HD2 LEU 21 10.967 -2.402 5.802 146 HD23 LEU 21 3HD2 LEU 21 9.484 -2.467 4.827 147 H SER 22 H SER 22 5.851 -5.418 5.565 148 HA SER 22 HA SER 22 7.090 -7.954 6.409 149 HB2 SER 22 2HB SER 22 4.224 -7.181 7.079 150 HB3 SER 22 3HB SER 22 4.944 -8.776 7.318 151 HG SER 22 HG SER 22 5.977 -6.404 8.528 152 H ILE 23 H ILE 23 6.039 -9.775 5.259 153 HA ILE 23 HA ILE 23 5.148 -9.005 2.536 154 HB ILE 23 HB ILE 23 6.226 -11.660 3.529 155 HG12 ILE 23 2HG1 ILE 23 8.028 -10.165 4.027 156 HG13 ILE 23 3HG1 ILE 23 8.431 -11.038 2.559 157 HG21 ILE 23 1HG2 ILE 23 5.128 -11.891 1.474 158 HG22 ILE 23 2HG2 ILE 23 5.802 -10.431 0.794 159 HG23 ILE 23 3HG2 ILE 23 6.833 -11.860 1.048 160 HD11 ILE 23 1HD1 ILE 23 7.383 -8.178 2.699 161 HD12 ILE 23 2HD1 ILE 23 9.043 -8.681 2.346 162 HD13 ILE 23 3HD1 ILE 23 7.747 -9.071 1.203 163 H LEU 24 H LEU 24 3.333 -10.389 1.654 164 HA LEU 24 HA LEU 24 1.536 -11.293 3.838 165 HB2 LEU 24 2HB LEU 24 0.512 -10.002 1.311 166 HB3 LEU 24 3HB LEU 24 -0.254 -10.186 2.872 167 HG LEU 24 HG LEU 24 2.129 -8.368 2.238 168 HD11 LEU 24 1HD1 LEU 24 0.126 -7.818 0.997 169 HD12 LEU 24 2HD1 LEU 24 -0.813 -7.743 2.505 170 HD13 LEU 24 3HD1 LEU 24 0.501 -6.566 2.201 171 HD21 LEU 24 1HD2 LEU 24 2.309 -7.997 4.434 172 HD22 LEU 24 2HD2 LEU 24 0.580 -7.576 4.532 173 HD23 LEU 24 3HD2 LEU 24 1.104 -9.252 4.750 174 H GLU 25 H GLU 25 0.929 -11.580 0.338 175 HA GLU 25 HA GLU 25 1.078 -13.161 -1.138 176 HB2 GLU 25 2HB GLU 25 2.423 -15.148 0.673 177 HB3 GLU 25 3HB GLU 25 2.533 -14.916 -1.080 178 HG2 GLU 25 2HG GLU 25 3.596 -12.608 -0.467 179 HG3 GLU 25 3HG GLU 25 3.786 -13.364 1.134 180 H GLU 26 H GLU 26 -1.141 -13.157 -1.067 181 HA GLU 26 HA GLU 26 -3.235 -13.845 -0.844 182 HB2 GLU 26 2HB GLU 26 -1.963 -16.592 -0.522 183 HB3 GLU 26 3HB GLU 26 -3.706 -16.328 -0.519 184 HG2 GLU 26 2HG GLU 26 -3.585 -15.261 -2.737 185 HG3 GLU 26 3HG GLU 26 -1.838 -15.532 -2.787 186 H GLY 27 H GLY 27 -4.778 -15.159 0.846 187 HA2 GLY 27 2HA GLY 27 -5.427 -15.448 3.051 188 HA3 GLY 27 3HA GLY 27 -3.782 -15.058 3.580 189 H GLU 28 H GLU 28 -3.192 -12.592 3.105 190 HA GLU 28 HA GLU 28 -5.217 -11.090 4.621 191 HB2 GLU 28 2HB GLU 28 -2.352 -10.545 3.766 192 HB3 GLU 28 3HB GLU 28 -3.328 -9.395 4.693 193 HG2 GLU 28 2HG GLU 28 -3.552 -10.912 6.544 194 HG3 GLU 28 3HG GLU 28 -2.851 -12.260 5.645 195 H ASP 29 H ASP 29 -6.082 -9.058 3.887 196 HA ASP 29 HA ASP 29 -6.523 -9.002 0.993 197 HB2 ASP 29 2HB ASP 29 -8.393 -8.676 2.563 198 HB3 ASP 29 3HB ASP 29 -7.595 -7.258 3.248 199 H VAL 30 H VAL 30 -6.067 -7.203 -0.317 200 HA VAL 30 HA VAL 30 -3.908 -5.403 0.645 201 HB VAL 30 HB VAL 30 -2.621 -5.762 -1.357 202 HG11 VAL 30 1HG1 VAL 30 -3.190 -8.426 0.018 203 HG12 VAL 30 2HG1 VAL 30 -1.674 -7.905 -0.728 204 HG13 VAL 30 3HG1 VAL 30 -2.261 -7.099 0.746 205 HG21 VAL 30 1HG2 VAL 30 -4.216 -6.566 -3.029 206 HG22 VAL 30 2HG2 VAL 30 -3.004 -7.820 -2.766 207 HG23 VAL 30 3HG2 VAL 30 -4.605 -7.989 -2.033 208 H ARG 31 H ARG 31 -4.616 -3.416 0.442 209 HA ARG 31 HA ARG 31 -6.776 -2.879 -1.531 210 HB2 ARG 31 2HB ARG 31 -6.638 -2.246 1.119 211 HB3 ARG 31 3HB ARG 31 -5.950 -0.782 0.442 212 HG2 ARG 31 2HG ARG 31 -8.264 -0.406 0.653 213 HG3 ARG 31 3HG ARG 31 -8.028 -0.680 -1.077 214 HD2 ARG 31 2HD ARG 31 -8.661 -3.067 0.675 215 HD3 ARG 31 3HD ARG 31 -9.954 -1.905 0.431 216 HE ARG 31 HE ARG 31 -8.999 -3.866 -1.403 217 HH11 ARG 31 1HH1 ARG 31 -11.063 -2.694 -4.035 218 HH12 ARG 31 2HH1 ARG 31 -10.095 -4.005 -3.460 219 HH21 ARG 31 1HH2 ARG 31 -11.260 -0.718 -2.722 220 HH22 ARG 31 2HH2 ARG 31 -10.413 -0.640 -1.219 221 H ARG 32 H ARG 32 -5.224 -3.093 -3.294 222 HA ARG 32 HA ARG 32 -2.901 -1.424 -3.324 223 HB2 ARG 32 2HB ARG 32 -2.622 -1.973 -5.662 224 HB3 ARG 32 3HB ARG 32 -3.044 -3.411 -4.728 225 HG2 ARG 32 2HG ARG 32 -4.419 -3.769 -6.453 226 HG3 ARG 32 3HG ARG 32 -5.538 -2.740 -5.557 227 HD2 ARG 32 2HD ARG 32 -4.808 -0.794 -6.958 228 HD3 ARG 32 3HD ARG 32 -3.619 -1.839 -7.754 229 HE ARG 32 HE ARG 32 -6.288 -2.901 -7.927 230 HH11 ARG 32 1HH1 ARG 32 -6.652 -1.994 -11.320 231 HH12 ARG 32 2HH1 ARG 32 -7.236 -3.006 -10.052 232 HH21 ARG 32 1HH2 ARG 32 -4.834 -0.507 -10.896 233 HH22 ARG 32 2HH2 ARG 32 -4.178 -0.443 -9.296 234 H LEU 33 H LEU 33 -2.667 0.658 -3.681 235 HA LEU 33 HA LEU 33 -4.823 2.390 -4.048 236 HB2 LEU 33 2HB LEU 33 -1.858 2.897 -4.606 237 HB3 LEU 33 3HB LEU 33 -3.050 4.089 -4.151 238 HG LEU 33 HG LEU 33 -1.819 1.899 -2.447 239 HD11 LEU 33 1HD1 LEU 33 -1.831 4.451 -1.167 240 HD12 LEU 33 2HD1 LEU 33 -0.472 3.522 -1.765 241 HD13 LEU 33 3HD1 LEU 33 -1.246 4.684 -2.830 242 HD21 LEU 33 1HD2 LEU 33 -3.232 2.594 -0.570 243 HD22 LEU 33 2HD2 LEU 33 -4.175 3.651 -1.639 244 HD23 LEU 33 3HD2 LEU 33 -4.201 1.892 -1.854 245 HA PRO 34 HA PRO 34 -5.174 2.566 -8.452 246 HB2 PRO 34 2HB PRO 34 -5.626 5.241 -8.984 247 HB3 PRO 34 3HB PRO 34 -6.837 4.119 -8.291 248 HG2 PRO 34 2HG PRO 34 -5.038 6.057 -6.814 249 HG3 PRO 34 3HG PRO 34 -6.798 5.789 -6.596 250 HD2 PRO 34 2HD PRO 34 -4.990 4.626 -4.955 251 HD3 PRO 34 3HD PRO 34 -6.438 3.726 -5.486 252 H CYS 35 H CYS 35 -2.567 4.346 -6.828 253 HA CYS 35 HA CYS 35 -1.150 4.677 -9.491 254 HB2 CYS 35 2HB CYS 35 -0.116 6.486 -8.723 255 HB3 CYS 35 3HB CYS 35 -1.700 6.685 -7.955 256 H MET 36 H MET 36 -1.529 2.194 -8.419 257 HA MET 36 HA MET 36 -0.491 0.330 -7.791 258 HB2 MET 36 2HB MET 36 1.410 1.558 -9.828 259 HB3 MET 36 3HB MET 36 1.447 -0.150 -9.338 260 HG2 MET 36 2HG MET 36 -0.908 -0.412 -10.018 261 HG3 MET 36 3HG MET 36 -0.963 1.283 -10.526 262 HE1 MET 36 1HE MET 36 -1.209 -0.642 -13.893 263 HE2 MET 36 2HE MET 36 -1.889 -1.129 -12.323 264 HE3 MET 36 3HE MET 36 -1.939 0.579 -12.825 265 H HIS 37 H HIS 37 -0.165 0.927 -5.667 266 HA HIS 37 HA HIS 37 2.709 1.297 -4.912 267 HB2 HIS 37 1HB HIS 37 0.496 3.054 -4.629 268 HB3 HIS 37 2HB HIS 37 0.801 2.381 -3.026 269 HD2 HIS 37 2HD HIS 37 3.233 2.758 -1.957 270 HE1 HIS 37 1HE HIS 37 4.209 6.050 -4.453 271 HE2 HIS 37 2HE HIS 37 4.853 4.802 -2.322 272 H LEU 38 H LEU 38 -0.208 -0.457 -4.269 273 HA LEU 38 HA LEU 38 -0.722 -2.195 -3.071 274 HB2 LEU 38 2HB LEU 38 1.543 -2.559 -4.547 275 HB3 LEU 38 3HB LEU 38 2.084 -3.183 -3.006 276 HG LEU 38 HG LEU 38 -0.657 -4.052 -3.954 277 HD11 LEU 38 1HD1 LEU 38 0.292 -5.685 -5.473 278 HD12 LEU 38 2HD1 LEU 38 0.680 -4.042 -6.004 279 HD13 LEU 38 3HD1 LEU 38 1.917 -5.021 -5.190 280 HD21 LEU 38 1HD2 LEU 38 1.638 -5.439 -2.585 281 HD22 LEU 38 2HD2 LEU 38 0.169 -4.806 -1.803 282 HD23 LEU 38 3HD2 LEU 38 0.043 -6.149 -2.958 283 H PHE 39 H PHE 39 -1.519 -1.819 -1.080 284 HA PHE 39 HA PHE 39 0.396 -2.022 1.127 285 HB2 PHE 39 2HB PHE 39 -1.743 0.115 0.822 286 HB3 PHE 39 3HB PHE 39 -0.888 -0.250 2.323 287 HD1 PHE 39 1HD PHE 39 -1.089 2.389 0.525 288 HD2 PHE 39 2HD PHE 39 1.963 -0.576 1.249 289 HE1 PHE 39 1HE PHE 39 0.674 4.099 0.189 290 HE2 PHE 39 2HE PHE 39 3.690 1.123 0.879 291 HZ PHE 39 HZ PHE 39 3.068 3.476 0.390 292 H HIS 40 H HIS 40 -0.462 -2.784 2.926 293 HA HIS 40 HA HIS 40 -2.272 -4.986 2.777 294 HB2 HIS 40 1HB HIS 40 -0.194 -4.257 4.224 295 HB3 HIS 40 2HB HIS 40 -1.353 -3.419 5.222 296 HD2 HIS 40 2HD HIS 40 -2.910 -6.750 4.438 297 HE1 HIS 40 1HE HIS 40 -0.282 -7.445 7.734 298 HE2 HIS 40 2HE HIS 40 -2.130 -8.408 6.371 299 H GLN 41 H GLN 41 -4.548 -4.982 3.304 300 HA GLN 41 HA GLN 41 -5.890 -2.559 3.096 301 HB2 GLN 41 2HB GLN 41 -6.820 -4.717 2.507 302 HB3 GLN 41 3HB GLN 41 -6.858 -5.219 4.199 303 HG2 GLN 41 2HG GLN 41 -8.279 -2.648 3.663 304 HG3 GLN 41 3HG GLN 41 -8.926 -4.001 2.774 305 HE21 GLN 41 1HE2 GLN 41 -10.726 -4.702 3.818 306 HE22 GLN 41 2HE2 GLN 41 -10.827 -4.939 5.564 307 H VAL 42 H VAL 42 -4.719 -4.034 6.087 308 HA VAL 42 HA VAL 42 -6.176 -2.054 7.707 309 HB VAL 42 HB VAL 42 -3.967 -4.048 8.386 310 HG11 VAL 42 1HG1 VAL 42 -4.627 -3.616 10.760 311 HG12 VAL 42 2HG1 VAL 42 -3.891 -2.198 10.002 312 HG13 VAL 42 3HG1 VAL 42 -5.654 -2.274 10.210 313 HG21 VAL 42 1HG2 VAL 42 -6.119 -5.102 7.750 314 HG22 VAL 42 2HG2 VAL 42 -5.827 -5.279 9.486 315 HG23 VAL 42 3HG2 VAL 42 -6.976 -4.059 8.896 316 H CYS 43 H CYS 43 -2.647 -2.605 6.954 317 HA CYS 43 HA CYS 43 -1.789 -0.375 8.479 318 HB2 CYS 43 2HB CYS 43 -0.389 -1.561 6.068 319 HB3 CYS 43 3HB CYS 43 0.311 -0.711 7.459 320 H VAL 44 H VAL 44 -2.745 -0.540 5.048 321 HA VAL 44 HA VAL 44 -1.899 1.939 4.172 322 HB VAL 44 HB VAL 44 -3.026 0.256 2.769 323 HG11 VAL 44 1HG1 VAL 44 -5.719 1.203 3.793 324 HG12 VAL 44 2HG1 VAL 44 -5.356 -0.115 2.674 325 HG13 VAL 44 3HG1 VAL 44 -4.917 -0.265 4.379 326 HG21 VAL 44 1HG2 VAL 44 -2.854 2.615 1.996 327 HG22 VAL 44 2HG2 VAL 44 -4.288 1.780 1.344 328 HG23 VAL 44 3HG2 VAL 44 -4.462 2.940 2.672 329 H ASP 45 H ASP 45 -4.842 1.095 6.046 330 HA ASP 45 HA ASP 45 -5.794 3.836 6.222 331 HB2 ASP 45 2HB ASP 45 -6.777 1.058 6.703 332 HB3 ASP 45 3HB ASP 45 -7.410 2.225 7.838 333 H GLN 46 H GLN 46 -3.187 3.234 7.387 334 HA GLN 46 HA GLN 46 -3.678 4.424 10.040 335 HB2 GLN 46 2HB GLN 46 -2.546 1.762 9.510 336 HB3 GLN 46 3HB GLN 46 -1.366 2.798 10.328 337 HG2 GLN 46 2HG GLN 46 -2.881 3.241 12.142 338 HG3 GLN 46 3HG GLN 46 -4.246 2.524 11.263 339 HE21 GLN 46 1HE2 GLN 46 -4.748 0.919 12.823 340 HE22 GLN 46 2HE2 GLN 46 -3.631 -0.401 13.150 341 H ARG 47 H ARG 47 -1.022 3.471 7.722 342 HA ARG 47 HA ARG 47 0.389 5.889 8.474 343 HB2 ARG 47 2HB ARG 47 1.374 3.701 7.589 344 HB3 ARG 47 3HB ARG 47 0.958 4.291 5.977 345 HG2 ARG 47 2HG ARG 47 2.261 6.476 6.801 346 HG3 ARG 47 3HG ARG 47 2.935 5.361 8.000 347 HD2 ARG 47 2HD ARG 47 3.588 3.858 5.993 348 HD3 ARG 47 3HD ARG 47 3.109 5.198 4.965 349 HE ARG 47 HE ARG 47 4.943 6.428 5.633 350 HH11 ARG 47 1HH1 ARG 47 7.738 5.412 7.511 351 HH12 ARG 47 2HH1 ARG 47 7.099 6.616 6.456 352 HH21 ARG 47 1HH2 ARG 47 6.426 3.528 8.098 353 HH22 ARG 47 2HH2 ARG 47 4.815 3.416 7.516 354 H LEU 48 H LEU 48 -1.867 5.109 5.779 355 HA LEU 48 HA LEU 48 -1.308 7.730 4.530 356 HB2 LEU 48 2HB LEU 48 -3.096 5.419 3.669 357 HB3 LEU 48 3HB LEU 48 -2.934 6.916 2.806 358 HG LEU 48 HG LEU 48 -1.632 5.173 1.761 359 HD11 LEU 48 1HD1 LEU 48 -0.840 7.539 1.633 360 HD12 LEU 48 2HD1 LEU 48 0.236 7.231 3.011 361 HD13 LEU 48 3HD1 LEU 48 0.473 6.355 1.490 362 HD21 LEU 48 1HD2 LEU 48 0.226 4.066 2.723 363 HD22 LEU 48 2HD2 LEU 48 0.262 5.144 4.111 364 HD23 LEU 48 3HD2 LEU 48 -1.054 3.953 3.938 365 H ILE 49 H ILE 49 -2.762 7.361 7.288 366 HA ILE 49 HA ILE 49 -5.311 8.579 6.636 367 HB ILE 49 HB ILE 49 -5.596 8.903 8.969 368 HG12 ILE 49 2HG1 ILE 49 -3.642 7.686 10.361 369 HG13 ILE 49 3HG1 ILE 49 -2.639 8.467 9.142 370 HG21 ILE 49 1HG2 ILE 49 -4.401 6.175 8.366 371 HG22 ILE 49 2HG2 ILE 49 -5.584 6.554 9.625 372 HG23 ILE 49 3HG2 ILE 49 -6.027 6.709 7.918 373 HD11 ILE 49 1HD1 ILE 49 -4.642 9.803 11.017 374 HD12 ILE 49 2HD1 ILE 49 -2.873 9.922 11.090 375 HD13 ILE 49 3HD1 ILE 49 -3.758 10.663 9.742 376 H THR 50 H THR 50 -2.006 9.611 7.351 377 HA THR 50 HA THR 50 -2.822 12.461 7.332 378 HB THR 50 HB THR 50 -1.559 11.366 9.240 379 HG1 THR 50 1HG THR 50 -0.225 13.182 9.479 380 HG21 THR 50 1HG2 THR 50 0.835 11.578 7.372 381 HG22 THR 50 2HG2 THR 50 0.834 11.074 9.070 382 HG23 THR 50 3HG2 THR 50 0.063 10.049 7.851 383 H ASN 51 H ASN 51 -2.104 10.339 4.930 384 HA ASN 51 HA ASN 51 -0.814 12.395 3.310 385 HB2 ASN 51 2HB ASN 51 1.048 11.019 4.467 386 HB3 ASN 51 3HB ASN 51 0.466 9.639 3.523 387 HD21 ASN 51 1HD2 ASN 51 2.515 12.392 3.485 388 HD22 ASN 51 2HD2 ASN 51 2.810 12.403 1.753 389 H LYS 52 H LYS 52 -1.231 11.937 1.010 390 HA LYS 52 HA LYS 52 -2.993 9.667 0.413 391 HB2 LYS 52 2HB LYS 52 -3.968 12.283 1.360 392 HB3 LYS 52 3HB LYS 52 -4.645 11.900 -0.220 393 HG2 LYS 52 2HG LYS 52 -5.604 9.905 0.494 394 HG3 LYS 52 3HG LYS 52 -4.523 9.714 1.857 395 HD2 LYS 52 2HD LYS 52 -5.597 11.702 2.974 396 HD3 LYS 52 3HD LYS 52 -6.870 11.610 1.717 397 HE2 LYS 52 2HE LYS 52 -7.143 9.174 2.270 398 HE3 LYS 52 3HE LYS 52 -5.925 9.328 3.548 399 HZ1 LYS 52 1HZ LYS 52 -7.444 10.802 4.703 400 HZ2 LYS 52 2HZ LYS 52 -8.514 10.712 3.397 401 HZ3 LYS 52 3HZ LYS 52 -8.248 9.402 4.245 402 H LYS 53 H LYS 53 -0.640 10.015 -0.696 403 HA LYS 53 HA LYS 53 -1.167 10.715 -3.470 404 HB2 LYS 53 2HB LYS 53 0.798 12.253 -3.615 405 HB3 LYS 53 3HB LYS 53 -0.613 12.945 -2.811 406 HG2 LYS 53 2HG LYS 53 0.345 12.718 -0.639 407 HG3 LYS 53 3HG LYS 53 1.636 11.647 -1.213 408 HD2 LYS 53 2HD LYS 53 1.371 14.544 -2.080 409 HD3 LYS 53 3HD LYS 53 2.352 13.984 -0.706 410 HE2 LYS 53 2HE LYS 53 3.488 12.352 -2.311 411 HE3 LYS 53 3HE LYS 53 2.681 13.193 -3.636 412 HZ1 LYS 53 1HZ LYS 53 4.876 14.053 -3.273 413 HZ2 LYS 53 2HZ LYS 53 3.776 15.227 -2.894 414 HZ3 LYS 53 3HZ LYS 53 4.551 14.405 -1.700 415 H CYS 54 H CYS 54 0.669 9.873 -4.825 416 HA CYS 54 HA CYS 54 2.345 7.777 -3.512 417 HB2 CYS 54 2HB CYS 54 2.403 9.109 -6.223 418 HB3 CYS 54 3HB CYS 54 3.417 7.766 -5.666 419 HA PRO 55 HA PRO 55 5.639 10.923 -3.038 420 HB2 PRO 55 2HB PRO 55 7.189 9.691 -1.201 421 HB3 PRO 55 3HB PRO 55 5.588 10.343 -0.751 422 HG2 PRO 55 2HG PRO 55 6.251 7.472 -1.507 423 HG3 PRO 55 3HG PRO 55 5.397 8.057 -0.041 424 HD2 PRO 55 2HD PRO 55 4.073 7.216 -2.293 425 HD3 PRO 55 3HD PRO 55 3.439 8.520 -1.248 426 H ILE 56 H ILE 56 5.507 9.524 -5.412 427 HA ILE 56 HA ILE 56 8.162 9.259 -6.168 428 HB ILE 56 HB ILE 56 8.174 7.058 -4.979 429 HG12 ILE 56 2HG1 ILE 56 8.844 5.600 -6.968 430 HG13 ILE 56 3HG1 ILE 56 8.509 6.994 -7.995 431 HG21 ILE 56 1HG2 ILE 56 6.845 5.235 -5.555 432 HG22 ILE 56 2HG2 ILE 56 5.729 6.612 -5.532 433 HG23 ILE 56 3HG2 ILE 56 6.307 5.964 -7.079 434 HD11 ILE 56 1HD1 ILE 56 10.896 6.856 -7.396 435 HD12 ILE 56 2HD1 ILE 56 10.184 8.316 -6.677 436 HD13 ILE 56 3HD1 ILE 56 10.486 6.879 -5.670 437 H CYS 57 H CYS 57 4.827 7.987 -6.879 438 HA CYS 57 HA CYS 57 4.863 8.629 -9.722 439 HB2 CYS 57 2HB CYS 57 2.336 8.201 -8.243 440 HB3 CYS 57 3HB CYS 57 2.922 7.454 -9.708 441 H ARG 58 H ARG 58 2.473 9.771 -9.640 442 HA ARG 58 HA ARG 58 2.515 12.275 -8.095 443 HB2 ARG 58 2HB ARG 58 4.107 12.796 -9.884 444 HB3 ARG 58 3HB ARG 58 2.935 12.330 -11.115 445 HG2 ARG 58 2HG ARG 58 1.976 14.354 -11.106 446 HG3 ARG 58 3HG ARG 58 1.771 14.364 -9.354 447 HD2 ARG 58 2HD ARG 58 4.467 14.924 -10.635 448 HD3 ARG 58 3HD ARG 58 3.245 16.194 -10.440 449 HE ARG 58 HE ARG 58 3.392 15.041 -7.958 450 HH11 ARG 58 1HH1 ARG 58 5.943 17.059 -6.599 451 HH12 ARG 58 2HH1 ARG 58 4.508 16.153 -6.264 452 HH21 ARG 58 1HH2 ARG 58 6.672 17.300 -8.844 453 HH22 ARG 58 2HH2 ARG 58 5.774 16.519 -10.095 454 H VAL 59 H VAL 59 0.651 10.680 -7.591 455 HA VAL 59 HA VAL 59 -1.747 11.534 -9.046 456 HB VAL 59 HB VAL 59 -0.834 8.668 -8.615 457 HG11 VAL 59 1HG1 VAL 59 -3.048 7.984 -9.592 458 HG12 VAL 59 2HG1 VAL 59 -3.195 8.716 -7.998 459 HG13 VAL 59 3HG1 VAL 59 -3.594 9.665 -9.449 460 HG21 VAL 59 1HG2 VAL 59 -1.649 10.174 -11.129 461 HG22 VAL 59 2HG2 VAL 59 -0.017 9.602 -10.724 462 HG23 VAL 59 3HG2 VAL 59 -1.294 8.435 -11.057 463 H ASP 60 H ASP 60 -3.602 11.355 -7.664 464 HA ASP 60 HA ASP 60 -2.944 11.487 -4.790 465 HB2 ASP 60 2HB ASP 60 -5.396 12.312 -6.397 466 HB3 ASP 60 3HB ASP 60 -5.209 12.505 -4.647 467 H ILE 61 H ILE 61 -4.004 10.121 -3.307 468 HA ILE 61 HA ILE 61 -4.884 7.573 -4.474 469 HB ILE 61 HB ILE 61 -4.116 8.296 -1.621 470 HG12 ILE 61 2HG1 ILE 61 -2.281 9.021 -2.929 471 HG13 ILE 61 3HG1 ILE 61 -1.824 7.549 -2.095 472 HG21 ILE 61 1HG2 ILE 61 -3.385 5.985 -1.498 473 HG22 ILE 61 2HG2 ILE 61 -5.127 6.107 -1.840 474 HG23 ILE 61 3HG2 ILE 61 -3.998 5.682 -3.148 475 HD11 ILE 61 1HD1 ILE 61 -2.710 7.768 -5.002 476 HD12 ILE 61 2HD1 ILE 61 -1.045 7.700 -4.409 477 HD13 ILE 61 3HD1 ILE 61 -2.121 6.298 -4.194 478 H GLU 62 H GLU 62 -5.834 10.095 -2.189 479 HA GLU 62 HA GLU 62 -8.637 9.504 -2.524 480 HB2 GLU 62 2HB GLU 62 -7.598 8.154 -0.418 481 HB3 GLU 62 3HB GLU 62 -7.724 9.749 0.332 482 HG2 GLU 62 2HG GLU 62 -10.169 9.779 -0.296 483 HG3 GLU 62 3HG GLU 62 -9.981 8.115 -0.861 484 H ALA 63 H ALA 63 -9.808 11.448 -1.220 485 HA ALA 63 HA ALA 63 -8.065 13.682 -0.605 486 HB1 ALA 63 1HB ALA 63 -9.183 15.252 -2.149 487 HB2 ALA 63 2HB ALA 63 -8.402 13.956 -3.066 488 HB3 ALA 63 3HB ALA 63 -10.163 13.925 -2.819 489 H GLN 64 H GLN 64 -9.991 15.628 -0.149 490 HA GLN 64 HA GLN 64 -12.191 14.225 1.239 491 HB2 GLN 64 2HB GLN 64 -10.177 14.549 2.745 492 HB3 GLN 64 3HB GLN 64 -10.457 16.295 2.643 493 HG2 GLN 64 2HG GLN 64 -12.632 16.062 3.670 494 HG3 GLN 64 3HG GLN 64 -12.611 14.302 3.468 495 HE21 GLN 64 1HE2 GLN 64 -13.141 14.380 5.878 496 HE22 GLN 64 2HE2 GLN 64 -11.744 14.462 6.944 497 H LEU 65 H LEU 65 -13.844 15.006 0.159 498 HA LEU 65 HA LEU 65 -14.048 17.522 -1.110 499 HB2 LEU 65 2HB LEU 65 -15.408 15.797 -1.852 500 HB3 LEU 65 3HB LEU 65 -16.027 15.393 -0.267 501 HG LEU 65 HG LEU 65 -16.675 18.152 -1.287 502 HD11 LEU 65 1HD1 LEU 65 -16.986 16.814 -3.310 503 HD12 LEU 65 2HD1 LEU 65 -17.929 15.607 -2.402 504 HD13 LEU 65 3HD1 LEU 65 -18.559 17.254 -2.630 505 HD21 LEU 65 1HD2 LEU 65 -17.608 17.393 0.886 506 HD22 LEU 65 2HD2 LEU 65 -18.901 17.548 -0.296 507 HD23 LEU 65 3HD2 LEU 65 -18.275 15.941 0.108 508 HA PRO 66 HA PRO 66 -16.200 19.345 2.612 509 HB2 PRO 66 2HB PRO 66 -16.368 18.152 5.049 510 HB3 PRO 66 3HB PRO 66 -17.484 17.739 3.707 511 HG2 PRO 66 2HG PRO 66 -14.986 16.252 4.574 512 HG3 PRO 66 3HG PRO 66 -16.609 15.580 4.223 513 HD2 PRO 66 2HD PRO 66 -14.575 15.606 2.391 514 HD3 PRO 66 3HD PRO 66 -16.290 15.755 1.915 515 H SER 67 H SER 67 -14.988 21.015 3.412 516 HA SER 67 HA SER 67 -13.042 20.606 5.445 517 HB2 SER 67 2HB SER 67 -11.739 20.446 3.177 518 HB3 SER 67 3HB SER 67 -12.104 22.169 3.013 519 HG SER 67 HG SER 67 -11.133 22.144 5.368 520 H GLU 68 H GLU 68 -13.178 22.538 6.699 521 HA GLU 68 HA GLU 68 -14.615 24.873 5.763 522 HB2 GLU 68 2HB GLU 68 -16.499 23.311 5.974 523 HB3 GLU 68 3HB GLU 68 -16.016 22.854 7.601 524 HG2 GLU 68 2HG GLU 68 -16.537 25.774 6.986 525 HG3 GLU 68 3HG GLU 68 -17.914 24.681 7.095 526 H SER 69 H SER 69 -14.049 22.830 8.565 527 HA SER 69 HA SER 69 -12.238 24.852 9.770 528 HB2 SER 69 2HB SER 69 -13.630 23.363 11.302 529 HB3 SER 69 3HB SER 69 -12.711 21.979 10.658 530 HG SER 69 HG SER 69 -10.811 23.326 11.230 Start of MODEL 27 1 H1 MET 1 H1 MET 1 14.313 -32.650 10.624 2 H2 MET 1 H2 MET 1 14.441 -33.877 11.717 3 H3 MET 1 H3 MET 1 12.956 -33.359 11.234 4 HA MET 1 HA MET 1 13.481 -32.588 13.436 5 HB2 MET 1 2HB MET 1 15.748 -31.152 11.995 6 HB3 MET 1 3HB MET 1 15.123 -30.686 13.585 7 HG2 MET 1 2HG MET 1 17.042 -32.028 13.948 8 HG3 MET 1 3HG MET 1 15.632 -32.962 14.444 9 HE1 MET 1 1HE MET 1 18.307 -35.588 13.193 10 HE2 MET 1 2HE MET 1 18.642 -34.022 13.965 11 HE3 MET 1 3HE MET 1 17.315 -35.044 14.567 12 H LYS 2 H LYS 2 14.245 -29.877 11.103 13 HA LYS 2 HA LYS 2 11.427 -29.306 10.856 14 HB2 LYS 2 2HB LYS 2 12.392 -28.366 13.124 15 HB3 LYS 2 3HB LYS 2 13.170 -27.142 12.115 16 HG2 LYS 2 2HG LYS 2 11.068 -26.253 11.409 17 HG3 LYS 2 3HG LYS 2 10.217 -27.746 11.797 18 HD2 LYS 2 2HD LYS 2 11.193 -26.996 14.305 19 HD3 LYS 2 3HD LYS 2 10.876 -25.440 13.538 20 HE2 LYS 2 2HE LYS 2 8.879 -26.132 14.702 21 HE3 LYS 2 3HE LYS 2 8.564 -26.250 12.964 22 HZ1 LYS 2 1HZ LYS 2 9.251 -28.500 14.761 23 HZ2 LYS 2 2HZ LYS 2 7.765 -28.188 14.125 24 HZ3 LYS 2 3HZ LYS 2 9.003 -28.639 13.143 25 H GLN 3 H GLN 3 11.287 -27.159 9.408 26 HA GLN 3 HA GLN 3 13.668 -26.585 7.900 27 HB2 GLN 3 2HB GLN 3 12.417 -28.813 6.964 28 HB3 GLN 3 3HB GLN 3 11.365 -27.598 6.230 29 HG2 GLN 3 2HG GLN 3 13.518 -26.510 5.313 30 HG3 GLN 3 3HG GLN 3 14.374 -27.944 5.890 31 HE21 GLN 3 1HE2 GLN 3 12.913 -26.599 3.159 32 HE22 GLN 3 2HE2 GLN 3 12.570 -28.108 2.330 33 H ASP 4 H ASP 4 13.121 -24.805 6.329 34 HA ASP 4 HA ASP 4 10.625 -23.340 7.022 35 HB2 ASP 4 2HB ASP 4 13.481 -22.305 6.890 36 HB3 ASP 4 3HB ASP 4 12.039 -21.281 6.965 37 H GLY 5 H GLY 5 13.314 -22.425 4.883 38 HA2 GLY 5 2HA GLY 5 12.406 -23.457 2.450 39 HA3 GLY 5 3HA GLY 5 11.596 -21.887 2.675 40 H GLU 6 H GLU 6 12.866 -21.020 0.864 41 HA GLU 6 HA GLU 6 15.507 -20.048 1.762 42 HB2 GLU 6 2HB GLU 6 15.073 -21.946 -0.394 43 HB3 GLU 6 3HB GLU 6 15.646 -20.430 -1.086 44 HG2 GLU 6 2HG GLU 6 17.534 -20.386 0.499 45 HG3 GLU 6 3HG GLU 6 16.987 -21.915 1.203 46 H GLU 7 H GLU 7 14.050 -18.370 2.420 47 HA GLU 7 HA GLU 7 12.549 -16.660 2.217 48 HB2 GLU 7 2HB GLU 7 15.118 -15.925 0.816 49 HB3 GLU 7 3HB GLU 7 13.820 -14.743 1.012 50 HG2 GLU 7 2HG GLU 7 15.253 -14.423 2.849 51 HG3 GLU 7 3HG GLU 7 13.771 -15.153 3.455 52 H GLY 8 H GLY 8 11.272 -18.347 0.689 53 HA2 GLY 8 2HA GLY 8 9.484 -18.228 -0.784 54 HA3 GLY 8 3HA GLY 8 9.866 -16.521 -1.065 55 H THR 9 H THR 9 10.660 -16.010 -3.086 56 HA THR 9 HA THR 9 12.629 -17.333 -4.441 57 HB THR 9 HB THR 9 11.060 -19.158 -4.863 58 HG1 THR 9 1HG THR 9 11.660 -19.345 -6.816 59 HG21 THR 9 1HG2 THR 9 8.924 -17.955 -4.700 60 HG22 THR 9 2HG2 THR 9 9.273 -17.104 -6.218 61 HG23 THR 9 3HG2 THR 9 9.050 -18.865 -6.216 62 H GLU 10 H GLU 10 11.388 -16.436 -7.100 63 HA GLU 10 HA GLU 10 11.974 -13.639 -7.028 64 HB2 GLU 10 2HB GLU 10 12.024 -15.212 -8.991 65 HB3 GLU 10 3HB GLU 10 10.255 -15.252 -8.956 66 HG2 GLU 10 2HG GLU 10 10.214 -12.777 -9.344 67 HG3 GLU 10 3HG GLU 10 11.981 -12.763 -9.371 68 H GLU 11 H GLU 11 10.615 -11.856 -6.619 69 HA GLU 11 HA GLU 11 7.737 -12.088 -6.831 70 HB2 GLU 11 2HB GLU 11 8.202 -12.943 -4.472 71 HB3 GLU 11 3HB GLU 11 9.065 -11.431 -4.166 72 HG2 GLU 11 2HG GLU 11 6.779 -10.344 -5.015 73 HG3 GLU 11 3HG GLU 11 6.102 -11.928 -4.620 74 H ASP 12 H ASP 12 7.047 -9.954 -7.493 75 HA ASP 12 HA ASP 12 8.783 -7.708 -6.620 76 HB2 ASP 12 2HB ASP 12 9.569 -8.260 -8.897 77 HB3 ASP 12 3HB ASP 12 7.930 -7.967 -9.514 78 H THR 13 H THR 13 7.708 -5.982 -6.061 79 HA THR 13 HA THR 13 5.909 -5.260 -4.705 80 HB THR 13 HB THR 13 6.470 -3.754 -6.504 81 HG1 THR 13 1HG THR 13 3.714 -3.922 -5.963 82 HG21 THR 13 1HG2 THR 13 6.008 -5.031 -8.512 83 HG22 THR 13 2HG2 THR 13 4.275 -5.100 -8.129 84 HG23 THR 13 3HG2 THR 13 5.046 -3.548 -8.520 85 H GLU 14 H GLU 14 5.368 -8.021 -4.959 86 HA GLU 14 HA GLU 14 2.864 -8.301 -6.325 87 HB2 GLU 14 2HB GLU 14 5.114 -9.685 -6.210 88 HB3 GLU 14 3HB GLU 14 4.264 -10.573 -4.940 89 HG2 GLU 14 2HG GLU 14 2.546 -11.253 -6.463 90 HG3 GLU 14 3HG GLU 14 3.048 -10.071 -7.682 91 H GLU 15 H GLU 15 3.974 -9.336 -2.994 92 HA GLU 15 HA GLU 15 1.386 -8.310 -2.025 93 HB2 GLU 15 2HB GLU 15 2.140 -11.180 -2.257 94 HB3 GLU 15 3HB GLU 15 1.687 -10.755 -0.615 95 HG2 GLU 15 2HG GLU 15 -0.454 -9.871 -1.337 96 HG3 GLU 15 3HG GLU 15 -0.055 -10.185 -3.031 97 H LYS 16 H LYS 16 3.388 -6.782 -1.621 98 HA LYS 16 HA LYS 16 4.653 -7.524 1.000 99 HB2 LYS 16 2HB LYS 16 5.865 -5.704 -1.113 100 HB3 LYS 16 3HB LYS 16 6.599 -6.308 0.386 101 HG2 LYS 16 2HG LYS 16 6.250 -8.661 -0.580 102 HG3 LYS 16 3HG LYS 16 5.821 -7.886 -2.086 103 HD2 LYS 16 2HD LYS 16 8.347 -6.779 -1.069 104 HD3 LYS 16 3HD LYS 16 8.419 -8.535 -1.141 105 HE2 LYS 16 2HE LYS 16 7.170 -7.948 -3.523 106 HE3 LYS 16 3HE LYS 16 8.216 -6.528 -3.330 107 HZ1 LYS 16 1HZ LYS 16 10.086 -8.110 -3.144 108 HZ2 LYS 16 2HZ LYS 16 9.050 -9.377 -3.186 109 HZ3 LYS 16 3HZ LYS 16 9.266 -8.474 -4.526 110 H CYS 17 H CYS 17 3.948 -6.282 2.603 111 HA CYS 17 HA CYS 17 2.533 -3.684 2.226 112 HB2 CYS 17 2HB CYS 17 1.923 -5.397 3.924 113 HB3 CYS 17 3HB CYS 17 3.505 -5.178 4.686 114 H THR 18 H THR 18 3.973 -2.132 1.417 115 HA THR 18 HA THR 18 6.659 -1.971 2.660 116 HB THR 18 HB THR 18 6.962 -0.225 0.869 117 HG1 THR 18 1HG THR 18 5.146 -0.638 -0.770 118 HG21 THR 18 1HG2 THR 18 5.951 -2.916 -0.223 119 HG22 THR 18 2HG2 THR 18 7.078 -1.807 -1.010 120 HG23 THR 18 3HG2 THR 18 7.564 -2.662 0.456 121 H ILE 19 H ILE 19 4.062 -1.520 4.096 122 HA ILE 19 HA ILE 19 4.425 1.262 5.045 123 HB ILE 19 HB ILE 19 2.080 -0.607 5.393 124 HG12 ILE 19 2HG1 ILE 19 2.711 1.732 3.556 125 HG13 ILE 19 3HG1 ILE 19 2.192 0.077 3.134 126 HG21 ILE 19 1HG2 ILE 19 2.703 2.197 6.352 127 HG22 ILE 19 2HG2 ILE 19 1.086 1.471 6.441 128 HG23 ILE 19 3HG2 ILE 19 2.413 0.790 7.362 129 HD11 ILE 19 1HD1 ILE 19 0.406 1.579 2.823 130 HD12 ILE 19 2HD1 ILE 19 0.082 0.427 4.140 131 HD13 ILE 19 3HD1 ILE 19 0.517 2.138 4.500 132 H CYS 20 H CYS 20 3.401 -1.938 6.356 133 HA CYS 20 HA CYS 20 4.895 -1.627 8.907 134 HB2 CYS 20 2HB CYS 20 3.749 -3.692 9.423 135 HB3 CYS 20 3HB CYS 20 2.591 -2.484 8.869 136 H LEU 21 H LEU 21 6.373 -1.759 6.306 137 HA LEU 21 HA LEU 21 7.775 -3.127 5.072 138 HB2 LEU 21 2HB LEU 21 9.912 -3.162 6.349 139 HB3 LEU 21 3HB LEU 21 9.117 -1.602 6.259 140 HG LEU 21 HG LEU 21 8.547 -3.274 8.706 141 HD11 LEU 21 1HD1 LEU 21 10.610 -2.431 9.782 142 HD12 LEU 21 2HD1 LEU 21 10.967 -3.540 8.447 143 HD13 LEU 21 3HD1 LEU 21 11.160 -1.783 8.219 144 HD21 LEU 21 1HD2 LEU 21 9.150 -0.302 8.282 145 HD22 LEU 21 2HD2 LEU 21 7.524 -0.990 8.403 146 HD23 LEU 21 3HD2 LEU 21 8.607 -1.061 9.794 147 H SER 22 H SER 22 6.162 -5.050 5.143 148 HA SER 22 HA SER 22 7.796 -7.367 5.813 149 HB2 SER 22 2HB SER 22 5.871 -8.454 7.065 150 HB3 SER 22 3HB SER 22 6.725 -7.170 7.940 151 HG SER 22 HG SER 22 5.077 -5.780 7.543 152 H ILE 23 H ILE 23 6.554 -9.409 5.098 153 HA ILE 23 HA ILE 23 5.303 -8.867 2.453 154 HB ILE 23 HB ILE 23 6.470 -11.453 3.528 155 HG12 ILE 23 2HG1 ILE 23 8.409 -10.154 3.672 156 HG13 ILE 23 3HG1 ILE 23 8.522 -10.988 2.134 157 HG21 ILE 23 1HG2 ILE 23 5.055 -11.783 1.639 158 HG22 ILE 23 2HG2 ILE 23 5.834 -10.472 0.731 159 HG23 ILE 23 3HG2 ILE 23 6.716 -11.972 1.085 160 HD11 ILE 23 1HD1 ILE 23 7.946 -8.044 2.619 161 HD12 ILE 23 2HD1 ILE 23 9.258 -8.786 1.700 162 HD13 ILE 23 3HD1 ILE 23 7.604 -8.830 1.070 163 H LEU 24 H LEU 24 3.463 -10.321 1.979 164 HA LEU 24 HA LEU 24 1.875 -10.794 4.431 165 HB2 LEU 24 2HB LEU 24 0.933 -10.499 1.550 166 HB3 LEU 24 3HB LEU 24 -0.061 -10.540 2.999 167 HG LEU 24 HG LEU 24 2.065 -8.403 2.416 168 HD11 LEU 24 1HD1 LEU 24 -0.908 -8.437 1.846 169 HD12 LEU 24 2HD1 LEU 24 0.214 -7.062 1.620 170 HD13 LEU 24 3HD1 LEU 24 0.412 -8.538 0.654 171 HD21 LEU 24 1HD2 LEU 24 -0.234 -8.620 4.379 172 HD22 LEU 24 2HD2 LEU 24 1.498 -8.539 4.763 173 HD23 LEU 24 3HD2 LEU 24 0.672 -7.131 4.055 174 H GLU 25 H GLU 25 1.634 -12.242 1.194 175 HA GLU 25 HA GLU 25 1.353 -14.301 0.481 176 HB2 GLU 25 2HB GLU 25 3.221 -15.809 0.811 177 HB3 GLU 25 3HB GLU 25 3.756 -14.152 0.541 178 HG2 GLU 25 2HG GLU 25 4.296 -13.866 2.901 179 HG3 GLU 25 3HG GLU 25 3.592 -15.444 3.298 180 H GLU 26 H GLU 26 -0.184 -13.694 2.844 181 HA GLU 26 HA GLU 26 -0.809 -16.472 3.723 182 HB2 GLU 26 2HB GLU 26 -0.426 -13.900 5.221 183 HB3 GLU 26 3HB GLU 26 -1.713 -14.943 5.791 184 HG2 GLU 26 2HG GLU 26 1.104 -15.996 5.345 185 HG3 GLU 26 3HG GLU 26 0.603 -15.230 6.855 186 H GLY 27 H GLY 27 -1.814 -14.807 1.534 187 HA2 GLY 27 2HA GLY 27 -3.848 -14.398 0.449 188 HA3 GLY 27 3HA GLY 27 -4.582 -15.514 1.621 189 H GLU 28 H GLU 28 -2.880 -12.686 2.798 190 HA GLU 28 HA GLU 28 -5.206 -11.654 4.127 191 HB2 GLU 28 2HB GLU 28 -2.491 -10.409 3.490 192 HB3 GLU 28 3HB GLU 28 -3.732 -9.630 4.483 193 HG2 GLU 28 2HG GLU 28 -3.695 -11.644 6.008 194 HG3 GLU 28 3HG GLU 28 -2.290 -12.238 5.099 195 H ASP 29 H ASP 29 -6.452 -9.767 3.664 196 HA ASP 29 HA ASP 29 -6.922 -9.122 0.958 197 HB2 ASP 29 2HB ASP 29 -7.471 -7.602 3.540 198 HB3 ASP 29 3HB ASP 29 -7.886 -7.006 1.927 199 H VAL 30 H VAL 30 -6.117 -7.607 -0.369 200 HA VAL 30 HA VAL 30 -3.965 -5.807 0.619 201 HB VAL 30 HB VAL 30 -3.112 -5.789 -1.695 202 HG11 VAL 30 1HG1 VAL 30 -3.239 -8.569 -0.439 203 HG12 VAL 30 2HG1 VAL 30 -2.031 -8.005 -1.604 204 HG13 VAL 30 3HG1 VAL 30 -2.114 -7.269 0.007 205 HG21 VAL 30 1HG2 VAL 30 -5.007 -8.130 -2.206 206 HG22 VAL 30 2HG2 VAL 30 -5.167 -6.503 -2.914 207 HG23 VAL 30 3HG2 VAL 30 -3.766 -7.514 -3.306 208 H ARG 31 H ARG 31 -3.955 -3.691 -0.579 209 HA ARG 31 HA ARG 31 -6.525 -3.017 -1.840 210 HB2 ARG 31 2HB ARG 31 -6.222 -2.415 0.751 211 HB3 ARG 31 3HB ARG 31 -5.328 -1.041 0.118 212 HG2 ARG 31 2HG ARG 31 -8.145 -1.742 -0.814 213 HG3 ARG 31 3HG ARG 31 -7.864 -0.874 0.692 214 HD2 ARG 31 2HD ARG 31 -6.675 0.930 -0.535 215 HD3 ARG 31 3HD ARG 31 -6.972 0.076 -2.053 216 HE ARG 31 HE ARG 31 -9.113 0.813 -2.079 217 HH11 ARG 31 1HH1 ARG 31 -11.082 2.526 0.277 218 HH12 ARG 31 2HH1 ARG 31 -11.011 1.919 -1.334 219 HH21 ARG 31 1HH2 ARG 31 -9.265 2.198 1.765 220 HH22 ARG 31 2HH2 ARG 31 -7.878 1.353 1.206 221 H ARG 32 H ARG 32 -6.062 -1.748 -3.653 222 HA ARG 32 HA ARG 32 -3.276 -0.766 -3.845 223 HB2 ARG 32 2HB ARG 32 -3.428 -0.780 -6.253 224 HB3 ARG 32 3HB ARG 32 -3.693 -2.393 -5.587 225 HG2 ARG 32 2HG ARG 32 -5.355 -2.378 -7.143 226 HG3 ARG 32 3HG ARG 32 -6.279 -1.685 -5.804 227 HD2 ARG 32 2HD ARG 32 -5.728 0.606 -6.700 228 HD3 ARG 32 3HD ARG 32 -4.854 -0.160 -8.035 229 HE ARG 32 HE ARG 32 -7.449 -1.238 -7.989 230 HH11 ARG 32 1HH1 ARG 32 -8.960 1.173 -10.091 231 HH12 ARG 32 2HH1 ARG 32 -9.096 -0.412 -9.424 232 HH21 ARG 32 1HH2 ARG 32 -7.049 2.512 -9.556 233 HH22 ARG 32 2HH2 ARG 32 -5.875 1.869 -8.455 234 H LEU 33 H LEU 33 -2.979 1.350 -3.956 235 HA LEU 33 HA LEU 33 -5.143 3.218 -3.669 236 HB2 LEU 33 2HB LEU 33 -2.110 3.344 -4.144 237 HB3 LEU 33 3HB LEU 33 -3.091 4.751 -3.879 238 HG LEU 33 HG LEU 33 -2.230 4.355 -1.769 239 HD11 LEU 33 1HD1 LEU 33 -4.704 2.596 -1.490 240 HD12 LEU 33 2HD1 LEU 33 -3.989 3.698 -0.298 241 HD13 LEU 33 3HD1 LEU 33 -4.819 4.347 -1.716 242 HD21 LEU 33 1HD2 LEU 33 -2.722 1.357 -1.882 243 HD22 LEU 33 2HD2 LEU 33 -1.183 2.149 -2.299 244 HD23 LEU 33 3HD2 LEU 33 -1.867 2.297 -0.672 245 HA PRO 34 HA PRO 34 -5.644 4.132 -7.985 246 HB2 PRO 34 2HB PRO 34 -5.573 6.883 -8.141 247 HB3 PRO 34 3HB PRO 34 -6.956 5.946 -7.493 248 HG2 PRO 34 2HG PRO 34 -4.696 7.236 -5.933 249 HG3 PRO 34 3HG PRO 34 -6.462 7.361 -5.636 250 HD2 PRO 34 2HD PRO 34 -4.969 5.608 -4.245 251 HD3 PRO 34 3HD PRO 34 -6.571 5.117 -4.849 252 H CYS 35 H CYS 35 -2.709 5.071 -6.274 253 HA CYS 35 HA CYS 35 -1.398 6.267 -8.663 254 HB2 CYS 35 2HB CYS 35 0.176 6.965 -7.140 255 HB3 CYS 35 3HB CYS 35 -1.337 7.130 -6.245 256 H MET 36 H MET 36 -2.181 3.463 -8.845 257 HA MET 36 HA MET 36 -1.552 1.358 -8.785 258 HB2 MET 36 2HB MET 36 0.542 2.610 -10.604 259 HB3 MET 36 3HB MET 36 0.373 0.855 -10.407 260 HG2 MET 36 2HG MET 36 -2.067 1.092 -10.988 261 HG3 MET 36 3HG MET 36 -1.736 2.761 -11.464 262 HE1 MET 36 1HE MET 36 -0.263 3.430 -13.590 263 HE2 MET 36 2HE MET 36 1.122 2.579 -12.857 264 HE3 MET 36 3HE MET 36 0.671 2.254 -14.544 265 H HIS 37 H HIS 37 -1.125 1.397 -6.482 266 HA HIS 37 HA HIS 37 1.401 0.002 -6.133 267 HB2 HIS 37 1HB HIS 37 0.728 2.560 -4.644 268 HB3 HIS 37 2HB HIS 37 1.526 1.241 -3.797 269 HD2 HIS 37 2HD HIS 37 3.898 0.333 -4.762 270 HE1 HIS 37 1HE HIS 37 4.805 3.794 -7.077 271 HE2 HIS 37 2HE HIS 37 5.747 1.610 -6.115 272 H LEU 38 H LEU 38 1.009 -1.769 -4.772 273 HA LEU 38 HA LEU 38 -1.550 -1.808 -3.276 274 HB2 LEU 38 2HB LEU 38 -1.933 -3.988 -3.737 275 HB3 LEU 38 3HB LEU 38 -1.247 -3.465 -5.264 276 HG LEU 38 HG LEU 38 1.049 -4.323 -4.075 277 HD11 LEU 38 1HD1 LEU 38 -0.233 -4.903 -1.942 278 HD12 LEU 38 2HD1 LEU 38 -1.077 -6.139 -2.888 279 HD13 LEU 38 3HD1 LEU 38 0.681 -6.231 -2.677 280 HD21 LEU 38 1HD2 LEU 38 -1.015 -6.201 -5.271 281 HD22 LEU 38 2HD2 LEU 38 0.072 -5.134 -6.206 282 HD23 LEU 38 3HD2 LEU 38 0.743 -6.418 -5.196 283 H PHE 39 H PHE 39 -1.352 -2.391 -1.153 284 HA PHE 39 HA PHE 39 1.420 -2.898 -0.159 285 HB2 PHE 39 2HB PHE 39 -0.521 -0.911 1.089 286 HB3 PHE 39 3HB PHE 39 1.059 -1.360 1.709 287 HD1 PHE 39 1HD PHE 39 -0.347 1.384 0.716 288 HD2 PHE 39 2HD PHE 39 2.735 -1.198 -0.810 289 HE1 PHE 39 1HE PHE 39 0.683 3.310 -0.464 290 HE2 PHE 39 2HE PHE 39 3.739 0.718 -2.012 291 HZ PHE 39 HZ PHE 39 2.731 2.980 -1.830 292 H HIS 40 H HIS 40 -1.819 -2.455 1.370 293 HA HIS 40 HA HIS 40 -2.099 -5.227 2.182 294 HB2 HIS 40 1HB HIS 40 -0.193 -3.983 3.589 295 HB3 HIS 40 2HB HIS 40 -1.531 -3.164 4.357 296 HD2 HIS 40 2HD HIS 40 -2.894 -6.564 4.001 297 HE1 HIS 40 1HE HIS 40 -0.406 -6.907 7.432 298 HE2 HIS 40 2HE HIS 40 -2.260 -7.982 6.115 299 H GLN 41 H GLN 41 -4.420 -5.313 3.224 300 HA GLN 41 HA GLN 41 -5.868 -2.837 2.698 301 HB2 GLN 41 2HB GLN 41 -6.679 -5.262 2.400 302 HB3 GLN 41 3HB GLN 41 -7.039 -5.203 4.140 303 HG2 GLN 41 2HG GLN 41 -8.402 -3.087 3.638 304 HG3 GLN 41 3HG GLN 41 -8.121 -3.396 1.918 305 HE21 GLN 41 1HE2 GLN 41 -9.187 -5.252 0.905 306 HE22 GLN 41 2HE2 GLN 41 -10.299 -6.243 1.810 307 H VAL 42 H VAL 42 -4.352 -4.256 5.525 308 HA VAL 42 HA VAL 42 -5.861 -2.548 7.348 309 HB VAL 42 HB VAL 42 -3.388 -4.278 7.784 310 HG11 VAL 42 1HG1 VAL 42 -3.556 -2.564 9.551 311 HG12 VAL 42 2HG1 VAL 42 -5.280 -2.936 9.774 312 HG13 VAL 42 3HG1 VAL 42 -4.042 -4.138 10.193 313 HG21 VAL 42 1HG2 VAL 42 -5.039 -5.839 8.815 314 HG22 VAL 42 2HG2 VAL 42 -6.357 -4.763 8.308 315 HG23 VAL 42 3HG2 VAL 42 -5.362 -5.596 7.097 316 H CYS 43 H CYS 43 -2.309 -2.692 6.737 317 HA CYS 43 HA CYS 43 -1.785 -0.308 8.133 318 HB2 CYS 43 2HB CYS 43 -0.109 -1.450 5.896 319 HB3 CYS 43 3HB CYS 43 0.416 -0.512 7.317 320 H VAL 44 H VAL 44 -2.407 -0.661 4.610 321 HA VAL 44 HA VAL 44 -1.878 1.886 3.737 322 HB VAL 44 HB VAL 44 -2.816 0.052 2.378 323 HG11 VAL 44 1HG1 VAL 44 -5.574 0.873 3.420 324 HG12 VAL 44 2HG1 VAL 44 -5.184 -0.419 2.288 325 HG13 VAL 44 3HG1 VAL 44 -4.692 -0.564 3.976 326 HG21 VAL 44 1HG2 VAL 44 -4.127 1.426 0.869 327 HG22 VAL 44 2HG2 VAL 44 -4.426 2.621 2.153 328 HG23 VAL 44 3HG2 VAL 44 -2.779 2.373 1.535 329 H ASP 45 H ASP 45 -4.709 0.828 5.665 330 HA ASP 45 HA ASP 45 -5.797 3.514 5.811 331 HB2 ASP 45 2HB ASP 45 -6.882 1.007 5.700 332 HB3 ASP 45 3HB ASP 45 -6.883 1.228 7.443 333 H GLN 46 H GLN 46 -3.142 3.102 6.904 334 HA GLN 46 HA GLN 46 -3.629 4.244 9.566 335 HB2 GLN 46 2HB GLN 46 -3.005 1.828 9.850 336 HB3 GLN 46 3HB GLN 46 -1.486 2.139 9.003 337 HG2 GLN 46 2HG GLN 46 -0.839 3.772 10.751 338 HG3 GLN 46 3HG GLN 46 -2.382 3.491 11.580 339 HE21 GLN 46 1HE2 GLN 46 -1.995 2.219 13.415 340 HE22 GLN 46 2HE2 GLN 46 -0.910 0.835 13.396 341 H ARG 47 H ARG 47 -0.871 3.412 7.336 342 HA ARG 47 HA ARG 47 0.435 5.909 7.867 343 HB2 ARG 47 2HB ARG 47 1.622 3.942 7.108 344 HB3 ARG 47 3HB ARG 47 0.779 4.001 5.550 345 HG2 ARG 47 2HG ARG 47 1.885 6.229 5.095 346 HG3 ARG 47 3HG ARG 47 2.787 6.032 6.619 347 HD2 ARG 47 2HD ARG 47 3.711 3.897 5.762 348 HD3 ARG 47 3HD ARG 47 2.791 4.108 4.251 349 HE ARG 47 HE ARG 47 4.491 6.354 4.732 350 HH11 ARG 47 1HH1 ARG 47 7.306 5.025 3.022 351 HH12 ARG 47 2HH1 ARG 47 6.645 6.439 3.765 352 HH21 ARG 47 1HH2 ARG 47 6.098 2.924 3.111 353 HH22 ARG 47 2HH2 ARG 47 4.526 2.967 3.739 354 H LEU 48 H LEU 48 -1.938 5.009 5.308 355 HA LEU 48 HA LEU 48 -1.492 7.668 4.067 356 HB2 LEU 48 2HB LEU 48 -3.198 5.297 3.209 357 HB3 LEU 48 3HB LEU 48 -3.197 6.838 2.411 358 HG LEU 48 HG LEU 48 -1.842 5.370 1.157 359 HD11 LEU 48 1HD1 LEU 48 -1.076 7.759 1.425 360 HD12 LEU 48 2HD1 LEU 48 0.109 7.189 2.620 361 HD13 LEU 48 3HD1 LEU 48 0.196 6.615 0.945 362 HD21 LEU 48 1HD2 LEU 48 0.087 4.190 1.895 363 HD22 LEU 48 2HD2 LEU 48 0.043 4.953 3.492 364 HD23 LEU 48 3HD2 LEU 48 -1.230 3.807 3.021 365 H ILE 49 H ILE 49 -3.106 6.821 6.811 366 HA ILE 49 HA ILE 49 -5.627 8.177 6.199 367 HB ILE 49 HB ILE 49 -4.213 7.343 8.759 368 HG12 ILE 49 2HG1 ILE 49 -5.222 5.570 7.342 369 HG13 ILE 49 3HG1 ILE 49 -5.932 5.691 8.952 370 HG21 ILE 49 1HG2 ILE 49 -6.430 7.876 9.891 371 HG22 ILE 49 2HG2 ILE 49 -5.371 9.228 9.517 372 HG23 ILE 49 3HG2 ILE 49 -6.795 8.903 8.488 373 HD11 ILE 49 1HD1 ILE 49 -7.669 5.291 7.299 374 HD12 ILE 49 2HD1 ILE 49 -7.889 6.906 7.978 375 HD13 ILE 49 3HD1 ILE 49 -7.181 6.703 6.356 376 H THR 50 H THR 50 -5.924 10.342 6.212 377 HA THR 50 HA THR 50 -5.626 12.545 6.482 378 HB THR 50 HB THR 50 -3.209 11.967 8.235 379 HG1 THR 50 1HG THR 50 -5.230 11.107 8.927 380 HG21 THR 50 1HG2 THR 50 -4.930 14.453 7.884 381 HG22 THR 50 2HG2 THR 50 -3.711 14.206 9.152 382 HG23 THR 50 3HG2 THR 50 -3.207 14.290 7.455 383 H ASN 51 H ASN 51 -2.525 10.857 5.739 384 HA ASN 51 HA ASN 51 -1.622 13.054 4.049 385 HB2 ASN 51 2HB ASN 51 -0.698 10.237 4.659 386 HB3 ASN 51 3HB ASN 51 -0.044 11.073 3.251 387 HD21 ASN 51 1HD2 ASN 51 1.615 12.610 3.555 388 HD22 ASN 51 2HD2 ASN 51 2.062 13.153 5.167 389 H LYS 52 H LYS 52 -1.379 12.923 1.649 390 HA LYS 52 HA LYS 52 -2.690 10.740 0.304 391 HB2 LYS 52 2HB LYS 52 -4.024 12.393 -1.145 392 HB3 LYS 52 3HB LYS 52 -4.704 11.870 0.382 393 HG2 LYS 52 2HG LYS 52 -3.154 14.453 0.398 394 HG3 LYS 52 3HG LYS 52 -4.731 14.427 -0.406 395 HD2 LYS 52 2HD LYS 52 -5.830 13.571 1.593 396 HD3 LYS 52 3HD LYS 52 -4.280 13.475 2.433 397 HE2 LYS 52 2HE LYS 52 -4.011 15.953 2.134 398 HE3 LYS 52 3HE LYS 52 -5.647 16.003 1.452 399 HZ1 LYS 52 1HZ LYS 52 -5.641 16.496 3.823 400 HZ2 LYS 52 2HZ LYS 52 -6.459 15.090 3.548 401 HZ3 LYS 52 3HZ LYS 52 -4.939 15.041 4.156 402 H LYS 53 H LYS 53 -0.448 10.442 -0.283 403 HA LYS 53 HA LYS 53 0.047 11.837 -2.705 404 HB2 LYS 53 2HB LYS 53 2.423 12.509 -2.122 405 HB3 LYS 53 3HB LYS 53 1.137 13.547 -1.524 406 HG2 LYS 53 2HG LYS 53 1.330 12.710 0.721 407 HG3 LYS 53 3HG LYS 53 2.436 11.410 0.233 408 HD2 LYS 53 2HD LYS 53 3.081 14.341 -0.221 409 HD3 LYS 53 3HD LYS 53 3.492 13.512 1.293 410 HE2 LYS 53 2HE LYS 53 5.019 12.068 0.297 411 HE3 LYS 53 3HE LYS 53 4.278 12.192 -1.301 412 HZ1 LYS 53 1HZ LYS 53 5.155 14.397 -1.512 413 HZ2 LYS 53 2HZ LYS 53 5.821 14.347 -0.005 414 HZ3 LYS 53 3HZ LYS 53 6.380 13.349 -1.190 415 H CYS 54 H CYS 54 1.223 10.395 -4.099 416 HA CYS 54 HA CYS 54 2.132 7.783 -2.942 417 HB2 CYS 54 2HB CYS 54 0.636 8.013 -4.977 418 HB3 CYS 54 3HB CYS 54 2.003 8.775 -5.792 419 HA PRO 55 HA PRO 55 6.051 9.771 -2.874 420 HB2 PRO 55 2HB PRO 55 7.732 7.682 -2.199 421 HB3 PRO 55 3HB PRO 55 6.569 8.424 -1.056 422 HG2 PRO 55 2HG PRO 55 6.191 5.924 -2.732 423 HG3 PRO 55 3HG PRO 55 5.860 6.145 -0.984 424 HD2 PRO 55 2HD PRO 55 3.890 6.331 -2.851 425 HD3 PRO 55 3HD PRO 55 3.912 7.415 -1.424 426 H ILE 56 H ILE 56 5.743 6.865 -4.950 427 HA ILE 56 HA ILE 56 7.724 8.152 -6.742 428 HB ILE 56 HB ILE 56 8.966 6.495 -5.615 429 HG12 ILE 56 2HG1 ILE 56 8.337 5.157 -8.257 430 HG13 ILE 56 3HG1 ILE 56 9.057 6.772 -8.198 431 HG21 ILE 56 1HG2 ILE 56 7.205 5.039 -4.731 432 HG22 ILE 56 2HG2 ILE 56 6.847 4.451 -6.370 433 HG23 ILE 56 3HG2 ILE 56 8.402 4.086 -5.606 434 HD11 ILE 56 1HD1 ILE 56 10.781 5.044 -8.417 435 HD12 ILE 56 2HD1 ILE 56 10.949 5.903 -6.874 436 HD13 ILE 56 3HD1 ILE 56 10.241 4.270 -6.918 437 H CYS 57 H CYS 57 5.490 8.883 -7.077 438 HA CYS 57 HA CYS 57 4.539 8.142 -9.686 439 HB2 CYS 57 2HB CYS 57 2.132 7.605 -8.673 440 HB3 CYS 57 3HB CYS 57 3.295 6.368 -9.142 441 H ARG 58 H ARG 58 3.802 9.704 -6.526 442 HA ARG 58 HA ARG 58 3.501 11.848 -6.042 443 HB2 ARG 58 2HB ARG 58 5.440 11.898 -7.833 444 HB3 ARG 58 3HB ARG 58 4.270 12.770 -8.814 445 HG2 ARG 58 2HG ARG 58 5.137 13.500 -5.976 446 HG3 ARG 58 3HG ARG 58 5.811 14.200 -7.446 447 HD2 ARG 58 2HD ARG 58 3.663 15.243 -8.011 448 HD3 ARG 58 3HD ARG 58 2.874 14.411 -6.670 449 HE ARG 58 HE ARG 58 3.516 15.984 -5.257 450 HH11 ARG 58 1HH1 ARG 58 5.971 18.503 -5.332 451 HH12 ARG 58 2HH1 ARG 58 4.686 17.803 -4.422 452 HH21 ARG 58 1HH2 ARG 58 6.537 17.612 -7.461 453 HH22 ARG 58 2HH2 ARG 58 5.632 16.266 -8.059 454 H VAL 59 H VAL 59 1.222 10.785 -6.202 455 HA VAL 59 HA VAL 59 -0.493 12.836 -7.426 456 HB VAL 59 HB VAL 59 -0.161 10.638 -8.831 457 HG11 VAL 59 1HG1 VAL 59 -2.222 9.565 -6.906 458 HG12 VAL 59 2HG1 VAL 59 -1.525 8.775 -8.331 459 HG13 VAL 59 3HG1 VAL 59 -0.497 9.126 -6.920 460 HG21 VAL 59 1HG2 VAL 59 -2.489 10.738 -9.625 461 HG22 VAL 59 2HG2 VAL 59 -2.973 11.615 -8.159 462 HG23 VAL 59 3HG2 VAL 59 -1.864 12.371 -9.330 463 H ASP 60 H ASP 60 -2.539 13.027 -6.185 464 HA ASP 60 HA ASP 60 -2.343 12.359 -3.435 465 HB2 ASP 60 2HB ASP 60 -4.620 13.217 -5.250 466 HB3 ASP 60 3HB ASP 60 -4.859 12.891 -3.525 467 H ILE 61 H ILE 61 -2.890 10.487 -2.356 468 HA ILE 61 HA ILE 61 -3.707 8.136 -3.800 469 HB ILE 61 HB ILE 61 -3.538 8.738 -0.807 470 HG12 ILE 61 2HG1 ILE 61 -1.369 9.164 -1.655 471 HG13 ILE 61 3HG1 ILE 61 -1.319 7.556 -0.945 472 HG21 ILE 61 1HG2 ILE 61 -4.782 6.733 -1.144 473 HG22 ILE 61 2HG2 ILE 61 -3.652 6.166 -2.387 474 HG23 ILE 61 3HG2 ILE 61 -3.142 6.256 -0.678 475 HD11 ILE 61 1HD1 ILE 61 -0.175 7.422 -3.003 476 HD12 ILE 61 2HD1 ILE 61 -1.738 6.661 -3.309 477 HD13 ILE 61 3HD1 ILE 61 -1.452 8.326 -3.867 478 H GLU 62 H GLU 62 -5.265 10.677 -2.024 479 HA GLU 62 HA GLU 62 -7.701 9.260 -1.391 480 HB2 GLU 62 2HB GLU 62 -6.867 11.195 -0.098 481 HB3 GLU 62 3HB GLU 62 -7.039 12.246 -1.506 482 HG2 GLU 62 2HG GLU 62 -8.898 12.462 0.161 483 HG3 GLU 62 3HG GLU 62 -9.457 12.010 -1.455 484 H ALA 63 H ALA 63 -9.567 9.124 -2.578 485 HA ALA 63 HA ALA 63 -9.708 10.502 -5.216 486 HB1 ALA 63 1HB ALA 63 -10.015 7.503 -4.779 487 HB2 ALA 63 2HB ALA 63 -10.268 8.367 -6.312 488 HB3 ALA 63 3HB ALA 63 -8.652 8.311 -5.588 489 H GLN 64 H GLN 64 -11.133 10.349 -2.424 490 HA GLN 64 HA GLN 64 -13.148 11.432 -2.012 491 HB2 GLN 64 2HB GLN 64 -13.987 11.248 -4.382 492 HB3 GLN 64 3HB GLN 64 -14.510 9.585 -4.012 493 HG2 GLN 64 2HG GLN 64 -15.864 10.561 -2.092 494 HG3 GLN 64 3HG GLN 64 -15.454 12.169 -2.705 495 HE21 GLN 64 1HE2 GLN 64 -15.680 11.699 -5.550 496 HE22 GLN 64 2HE2 GLN 64 -17.373 11.326 -5.844 497 H LEU 65 H LEU 65 -13.129 10.618 0.079 498 HA LEU 65 HA LEU 65 -14.188 7.866 0.419 499 HB2 LEU 65 2HB LEU 65 -11.614 8.241 0.660 500 HB3 LEU 65 3HB LEU 65 -12.010 9.024 2.174 501 HG LEU 65 HG LEU 65 -11.446 6.771 2.651 502 HD11 LEU 65 1HD1 LEU 65 -13.397 5.802 3.674 503 HD12 LEU 65 2HD1 LEU 65 -13.497 7.560 3.851 504 HD13 LEU 65 3HD1 LEU 65 -14.494 6.721 2.633 505 HD21 LEU 65 1HD2 LEU 65 -13.426 5.843 0.527 506 HD22 LEU 65 2HD2 LEU 65 -11.661 5.894 0.357 507 HD23 LEU 65 3HD2 LEU 65 -12.407 4.819 1.558 508 HA PRO 66 HA PRO 66 -16.689 10.781 2.853 509 HB2 PRO 66 2HB PRO 66 -19.047 9.398 2.863 510 HB3 PRO 66 3HB PRO 66 -18.473 10.323 1.439 511 HG2 PRO 66 2HG PRO 66 -18.211 7.344 1.949 512 HG3 PRO 66 3HG PRO 66 -18.766 8.168 0.460 513 HD2 PRO 66 2HD PRO 66 -16.196 7.285 0.800 514 HD3 PRO 66 3HD PRO 66 -16.564 8.770 -0.133 515 H SER 67 H SER 67 -15.970 10.693 4.888 516 HA SER 67 HA SER 67 -16.981 10.175 7.070 517 HB2 SER 67 2HB SER 67 -17.831 7.930 6.529 518 HB3 SER 67 3HB SER 67 -16.159 7.318 6.430 519 HG SER 67 HG SER 67 -15.893 7.857 8.578 520 H GLU 68 H GLU 68 -14.924 11.685 6.456 521 HA GLU 68 HA GLU 68 -12.392 10.566 7.367 522 HB2 GLU 68 2HB GLU 68 -13.411 13.400 6.897 523 HB3 GLU 68 3HB GLU 68 -11.797 13.028 7.532 524 HG2 GLU 68 2HG GLU 68 -11.321 11.662 5.507 525 HG3 GLU 68 3HG GLU 68 -12.901 12.107 4.846 526 H SER 69 H SER 69 -12.905 9.541 9.317 527 HA SER 69 HA SER 69 -12.899 11.297 11.622 528 HB2 SER 69 2HB SER 69 -15.356 10.897 11.190 529 HB3 SER 69 3HB SER 69 -15.047 9.150 11.323 530 HG SER 69 HG SER 69 -14.090 9.729 13.425 Start of MODEL 28 1 H1 MET 1 H1 MET 1 25.207 -32.603 2.724 2 H2 MET 1 H2 MET 1 26.389 -32.065 1.705 3 H3 MET 1 H3 MET 1 24.912 -32.458 1.122 4 HA MET 1 HA MET 1 26.439 -34.200 0.575 5 HB2 MET 1 2HB MET 1 26.859 -34.419 3.583 6 HB3 MET 1 3HB MET 1 27.504 -35.518 2.361 7 HG2 MET 1 2HG MET 1 28.885 -33.721 1.424 8 HG3 MET 1 3HG MET 1 28.272 -32.605 2.662 9 HE1 MET 1 1HE MET 1 31.386 -33.016 2.294 10 HE2 MET 1 2HE MET 1 30.685 -32.007 3.585 11 HE3 MET 1 3HE MET 1 31.914 -33.229 3.978 12 H LYS 2 H LYS 2 23.523 -33.942 0.791 13 HA LYS 2 HA LYS 2 22.946 -36.716 1.455 14 HB2 LYS 2 2HB LYS 2 22.776 -35.509 3.678 15 HB3 LYS 2 3HB LYS 2 21.582 -34.435 2.982 16 HG2 LYS 2 2HG LYS 2 20.072 -35.903 3.783 17 HG3 LYS 2 3HG LYS 2 20.470 -36.908 2.387 18 HD2 LYS 2 2HD LYS 2 21.788 -37.064 5.137 19 HD3 LYS 2 3HD LYS 2 20.519 -38.146 4.545 20 HE2 LYS 2 2HE LYS 2 21.975 -38.931 2.728 21 HE3 LYS 2 3HE LYS 2 23.255 -37.811 3.234 22 HZ1 LYS 2 1HZ LYS 2 23.419 -38.990 5.300 23 HZ2 LYS 2 2HZ LYS 2 22.186 -40.003 4.897 24 HZ3 LYS 2 3HZ LYS 2 23.601 -40.051 4.061 25 H GLN 3 H GLN 3 21.065 -33.665 1.188 26 HA GLN 3 HA GLN 3 20.407 -34.096 -1.554 27 HB2 GLN 3 2HB GLN 3 17.927 -34.183 -1.159 28 HB3 GLN 3 3HB GLN 3 18.785 -35.660 -0.724 29 HG2 GLN 3 2HG GLN 3 18.743 -34.884 1.702 30 HG3 GLN 3 3HG GLN 3 17.684 -33.563 1.194 31 HE21 GLN 3 1HE2 GLN 3 15.462 -33.999 1.001 32 HE22 GLN 3 2HE2 GLN 3 14.827 -35.633 1.131 33 H ASP 4 H ASP 4 20.734 -31.985 -2.166 34 HA ASP 4 HA ASP 4 20.123 -29.830 -0.208 35 HB2 ASP 4 2HB ASP 4 22.824 -30.355 -1.535 36 HB3 ASP 4 3HB ASP 4 22.428 -29.052 -0.426 37 H GLY 5 H GLY 5 18.433 -29.116 -1.759 38 HA2 GLY 5 2HA GLY 5 19.236 -27.330 -3.771 39 HA3 GLY 5 3HA GLY 5 19.046 -28.903 -4.547 40 H GLU 6 H GLU 6 17.384 -26.074 -3.548 41 HA GLU 6 HA GLU 6 15.187 -26.901 -5.086 42 HB2 GLU 6 2HB GLU 6 13.423 -26.283 -3.387 43 HB3 GLU 6 3HB GLU 6 14.168 -27.855 -3.117 44 HG2 GLU 6 2HG GLU 6 15.334 -27.146 -1.212 45 HG3 GLU 6 3HG GLU 6 15.302 -25.447 -1.678 46 H GLU 7 H GLU 7 13.931 -24.945 -5.703 47 HA GLU 7 HA GLU 7 14.474 -22.418 -4.486 48 HB2 GLU 7 2HB GLU 7 15.541 -21.381 -6.489 49 HB3 GLU 7 3HB GLU 7 16.588 -22.507 -5.670 50 HG2 GLU 7 2HG GLU 7 14.932 -23.538 -7.983 51 HG3 GLU 7 3HG GLU 7 16.299 -22.487 -8.321 52 H GLY 8 H GLY 8 13.664 -20.697 -6.473 53 HA2 GLY 8 2HA GLY 8 11.500 -21.673 -8.075 54 HA3 GLY 8 3HA GLY 8 10.931 -20.791 -6.634 55 H THR 9 H THR 9 10.153 -19.066 -8.272 56 HA THR 9 HA THR 9 12.256 -17.108 -8.661 57 HB THR 9 HB THR 9 12.458 -18.511 -10.684 58 HG1 THR 9 1HG THR 9 11.226 -16.111 -11.486 59 HG21 THR 9 1HG2 THR 9 10.665 -18.585 -12.347 60 HG22 THR 9 2HG2 THR 9 10.124 -19.323 -10.827 61 HG23 THR 9 3HG2 THR 9 9.583 -17.684 -11.262 62 H GLU 10 H GLU 10 11.322 -15.065 -9.352 63 HA GLU 10 HA GLU 10 9.844 -13.442 -9.626 64 HB2 GLU 10 2HB GLU 10 8.282 -15.498 -10.471 65 HB3 GLU 10 3HB GLU 10 7.358 -14.994 -9.053 66 HG2 GLU 10 2HG GLU 10 6.481 -13.735 -10.847 67 HG3 GLU 10 3HG GLU 10 7.555 -12.592 -10.025 68 H GLU 11 H GLU 11 9.848 -11.900 -8.001 69 HA GLU 11 HA GLU 11 8.482 -12.297 -5.529 70 HB2 GLU 11 2HB GLU 11 10.510 -12.373 -4.045 71 HB3 GLU 11 3HB GLU 11 10.220 -13.863 -4.910 72 HG2 GLU 11 2HG GLU 11 12.003 -13.544 -6.428 73 HG3 GLU 11 3HG GLU 11 12.129 -11.822 -6.099 74 H ASP 12 H ASP 12 8.111 -10.026 -6.947 75 HA ASP 12 HA ASP 12 9.805 -8.039 -5.516 76 HB2 ASP 12 2HB ASP 12 10.868 -8.361 -7.720 77 HB3 ASP 12 3HB ASP 12 9.354 -7.865 -8.502 78 H THR 13 H THR 13 8.715 -6.441 -4.728 79 HA THR 13 HA THR 13 6.776 -5.605 -3.712 80 HB THR 13 HB THR 13 6.742 -4.534 -6.557 81 HG1 THR 13 1HG THR 13 8.850 -4.544 -5.789 82 HG21 THR 13 1HG2 THR 13 6.318 -2.366 -5.378 83 HG22 THR 13 2HG2 THR 13 4.981 -3.496 -5.144 84 HG23 THR 13 3HG2 THR 13 6.167 -3.241 -3.842 85 H GLU 14 H GLU 14 6.084 -8.225 -4.413 86 HA GLU 14 HA GLU 14 3.672 -8.117 -6.039 87 HB2 GLU 14 2HB GLU 14 5.844 -9.982 -5.464 88 HB3 GLU 14 3HB GLU 14 4.277 -10.781 -5.285 89 HG2 GLU 14 2HG GLU 14 3.576 -10.156 -7.492 90 HG3 GLU 14 3HG GLU 14 4.950 -9.074 -7.711 91 H GLU 15 H GLU 15 4.593 -9.272 -2.751 92 HA GLU 15 HA GLU 15 1.821 -8.705 -1.895 93 HB2 GLU 15 2HB GLU 15 1.518 -10.919 -0.991 94 HB3 GLU 15 3HB GLU 15 1.897 -11.063 -2.695 95 HG2 GLU 15 2HG GLU 15 3.772 -11.653 -0.363 96 HG3 GLU 15 3HG GLU 15 2.995 -12.804 -1.431 97 H LYS 16 H LYS 16 4.189 -7.259 -1.381 98 HA LYS 16 HA LYS 16 4.917 -8.086 1.403 99 HB2 LYS 16 2HB LYS 16 6.653 -6.507 -0.508 100 HB3 LYS 16 3HB LYS 16 7.107 -7.254 1.035 101 HG2 LYS 16 2HG LYS 16 6.352 -9.464 0.014 102 HG3 LYS 16 3HG LYS 16 6.250 -8.653 -1.531 103 HD2 LYS 16 2HD LYS 16 8.875 -8.610 -0.043 104 HD3 LYS 16 3HD LYS 16 8.322 -10.088 -0.854 105 HE2 LYS 16 2HE LYS 16 7.927 -8.694 -2.939 106 HE3 LYS 16 3HE LYS 16 8.835 -7.390 -2.148 107 HZ1 LYS 16 1HZ LYS 16 10.707 -9.001 -1.978 108 HZ2 LYS 16 2HZ LYS 16 9.814 -10.127 -2.782 109 HZ3 LYS 16 3HZ LYS 16 10.262 -8.799 -3.550 110 H CYS 17 H CYS 17 3.892 -6.936 2.815 111 HA CYS 17 HA CYS 17 2.739 -4.253 2.572 112 HB2 CYS 17 2HB CYS 17 2.125 -6.295 4.061 113 HB3 CYS 17 3HB CYS 17 3.448 -5.781 5.093 114 H THR 18 H THR 18 4.281 -2.710 2.024 115 HA THR 18 HA THR 18 6.898 -2.816 3.427 116 HB THR 18 HB THR 18 7.276 -0.938 1.598 117 HG1 THR 18 1HG THR 18 5.404 -2.516 0.222 118 HG21 THR 18 1HG2 THR 18 7.017 -3.914 0.914 119 HG22 THR 18 2HG2 THR 18 7.934 -2.714 -0.014 120 HG23 THR 18 3HG2 THR 18 8.430 -3.125 1.636 121 H ILE 19 H ILE 19 4.049 -1.860 4.356 122 HA ILE 19 HA ILE 19 4.801 0.803 5.408 123 HB ILE 19 HB ILE 19 2.223 -0.735 5.489 124 HG12 ILE 19 2HG1 ILE 19 3.432 1.155 3.514 125 HG13 ILE 19 3HG1 ILE 19 2.417 -0.295 3.296 126 HG21 ILE 19 1HG2 ILE 19 1.814 0.543 7.218 127 HG22 ILE 19 2HG2 ILE 19 3.234 1.542 6.980 128 HG23 ILE 19 3HG2 ILE 19 1.725 1.910 6.118 129 HD11 ILE 19 1HD1 ILE 19 1.404 2.383 4.109 130 HD12 ILE 19 2HD1 ILE 19 1.342 1.653 2.510 131 HD13 ILE 19 3HD1 ILE 19 0.473 0.872 3.833 132 H CYS 20 H CYS 20 3.203 -2.225 6.370 133 HA CYS 20 HA CYS 20 4.030 -2.139 9.231 134 HB2 CYS 20 2HB CYS 20 2.370 -4.180 9.055 135 HB3 CYS 20 3HB CYS 20 1.786 -2.522 9.117 136 H LEU 21 H LEU 21 5.795 -2.835 6.748 137 HA LEU 21 HA LEU 21 7.588 -4.188 6.395 138 HB2 LEU 21 2HB LEU 21 7.473 -3.914 9.417 139 HB3 LEU 21 3HB LEU 21 8.922 -4.373 8.525 140 HG LEU 21 HG LEU 21 7.489 -1.793 7.810 141 HD11 LEU 21 1HD1 LEU 21 9.483 -2.134 10.078 142 HD12 LEU 21 2HD1 LEU 21 8.897 -0.586 9.418 143 HD13 LEU 21 3HD1 LEU 21 7.769 -1.680 10.229 144 HD21 LEU 21 1HD2 LEU 21 9.322 -2.635 6.355 145 HD22 LEU 21 2HD2 LEU 21 9.724 -1.096 7.135 146 HD23 LEU 21 3HD2 LEU 21 10.420 -2.609 7.754 147 H SER 22 H SER 22 5.644 -5.876 5.849 148 HA SER 22 HA SER 22 6.595 -8.434 6.923 149 HB2 SER 22 2HB SER 22 4.077 -9.055 7.294 150 HB3 SER 22 3HB SER 22 4.942 -8.169 8.561 151 HG SER 22 HG SER 22 3.995 -6.314 7.966 152 H ILE 23 H ILE 23 5.687 -10.251 5.701 153 HA ILE 23 HA ILE 23 4.982 -9.533 2.895 154 HB ILE 23 HB ILE 23 5.657 -12.263 4.045 155 HG12 ILE 23 2HG1 ILE 23 7.635 -11.052 4.618 156 HG13 ILE 23 3HG1 ILE 23 7.979 -12.015 3.195 157 HG21 ILE 23 1HG2 ILE 23 5.798 -11.103 1.241 158 HG22 ILE 23 2HG2 ILE 23 6.227 -12.769 1.704 159 HG23 ILE 23 3HG2 ILE 23 4.573 -12.191 1.867 160 HD11 ILE 23 1HD1 ILE 23 7.772 -10.012 1.761 161 HD12 ILE 23 2HD1 ILE 23 7.388 -9.018 3.184 162 HD13 ILE 23 3HD1 ILE 23 8.979 -9.776 3.031 163 H LEU 24 H LEU 24 3.055 -10.765 2.105 164 HA LEU 24 HA LEU 24 1.104 -11.178 4.283 165 HB2 LEU 24 2HB LEU 24 0.771 -10.253 1.398 166 HB3 LEU 24 3HB LEU 24 -0.528 -10.386 2.577 167 HG LEU 24 HG LEU 24 1.935 -8.617 3.030 168 HD11 LEU 24 1HD1 LEU 24 0.961 -8.111 0.878 169 HD12 LEU 24 2HD1 LEU 24 -0.647 -7.931 1.611 170 HD13 LEU 24 3HD1 LEU 24 0.671 -6.793 2.034 171 HD21 LEU 24 1HD2 LEU 24 0.376 -7.405 4.512 172 HD22 LEU 24 2HD2 LEU 24 -0.909 -8.527 4.088 173 HD23 LEU 24 3HD2 LEU 24 0.521 -9.105 4.985 174 H GLU 25 H GLU 25 0.967 -12.106 0.887 175 HA GLU 25 HA GLU 25 1.125 -14.044 -0.237 176 HB2 GLU 25 2HB GLU 25 1.717 -15.582 2.295 177 HB3 GLU 25 3HB GLU 25 2.034 -16.007 0.607 178 HG2 GLU 25 2HG GLU 25 3.593 -14.003 0.507 179 HG3 GLU 25 3HG GLU 25 3.377 -13.877 2.265 180 H GLU 26 H GLU 26 -1.145 -13.463 -0.467 181 HA GLU 26 HA GLU 26 -3.373 -13.704 -0.360 182 HB2 GLU 26 2HB GLU 26 -2.645 -16.597 0.225 183 HB3 GLU 26 3HB GLU 26 -4.315 -16.041 0.190 184 HG2 GLU 26 2HG GLU 26 -3.937 -15.097 -2.094 185 HG3 GLU 26 3HG GLU 26 -2.336 -15.849 -2.103 186 H GLY 27 H GLY 27 -5.204 -14.725 1.395 187 HA2 GLY 27 2HA GLY 27 -5.962 -14.689 3.566 188 HA3 GLY 27 3HA GLY 27 -4.319 -14.362 4.140 189 H GLU 28 H GLU 28 -3.526 -12.011 3.289 190 HA GLU 28 HA GLU 28 -5.322 -10.194 4.696 191 HB2 GLU 28 2HB GLU 28 -2.646 -9.944 3.318 192 HB3 GLU 28 3HB GLU 28 -3.415 -8.571 4.096 193 HG2 GLU 28 2HG GLU 28 -3.153 -11.090 5.745 194 HG3 GLU 28 3HG GLU 28 -1.679 -10.195 5.405 195 H ASP 29 H ASP 29 -6.401 -8.478 3.858 196 HA ASP 29 HA ASP 29 -7.114 -8.515 1.017 197 HB2 ASP 29 2HB ASP 29 -7.936 -6.850 3.415 198 HB3 ASP 29 3HB ASP 29 -8.319 -6.316 1.774 199 H VAL 30 H VAL 30 -5.897 -7.532 -0.517 200 HA VAL 30 HA VAL 30 -4.106 -5.304 0.310 201 HB VAL 30 HB VAL 30 -4.082 -6.613 -2.393 202 HG11 VAL 30 1HG1 VAL 30 -2.813 -4.526 -2.153 203 HG12 VAL 30 2HG1 VAL 30 -1.889 -5.259 -0.813 204 HG13 VAL 30 3HG1 VAL 30 -1.774 -5.920 -2.454 205 HG21 VAL 30 1HG2 VAL 30 -2.191 -8.063 -1.531 206 HG22 VAL 30 2HG2 VAL 30 -2.578 -7.518 0.116 207 HG23 VAL 30 3HG2 VAL 30 -3.740 -8.494 -0.802 208 H ARG 31 H ARG 31 -4.208 -3.391 -0.778 209 HA ARG 31 HA ARG 31 -6.496 -2.837 -2.579 210 HB2 ARG 31 2HB ARG 31 -7.193 -2.098 -0.321 211 HB3 ARG 31 3HB ARG 31 -5.684 -1.200 -0.128 212 HG2 ARG 31 2HG ARG 31 -6.328 0.168 -2.184 213 HG3 ARG 31 3HG ARG 31 -7.891 -0.656 -2.176 214 HD2 ARG 31 2HD ARG 31 -8.505 0.377 -0.090 215 HD3 ARG 31 3HD ARG 31 -6.827 0.799 0.266 216 HE ARG 31 HE ARG 31 -6.984 2.694 -0.931 217 HH11 ARG 31 1HH1 ARG 31 -9.384 3.937 -3.189 218 HH12 ARG 31 2HH1 ARG 31 -7.926 4.291 -2.352 219 HH21 ARG 31 1HH2 ARG 31 -10.443 1.826 -2.905 220 HH22 ARG 31 2HH2 ARG 31 -9.718 0.669 -1.844 221 H ARG 32 H ARG 32 -5.014 -2.808 -4.342 222 HA ARG 32 HA ARG 32 -2.586 -1.224 -4.241 223 HB2 ARG 32 2HB ARG 32 -2.630 -1.273 -6.707 224 HB3 ARG 32 3HB ARG 32 -2.819 -2.879 -5.994 225 HG2 ARG 32 2HG ARG 32 -4.461 -3.077 -7.496 226 HG3 ARG 32 3HG ARG 32 -5.455 -2.241 -6.307 227 HD2 ARG 32 2HD ARG 32 -4.904 -0.070 -7.506 228 HD3 ARG 32 3HD ARG 32 -4.017 -1.031 -8.703 229 HE ARG 32 HE ARG 32 -6.707 -1.986 -8.296 230 HH11 ARG 32 1HH1 ARG 32 -7.960 -0.574 -11.269 231 HH12 ARG 32 2HH1 ARG 32 -8.237 -1.729 -10.020 232 HH21 ARG 32 1HH2 ARG 32 -5.969 0.743 -11.236 233 HH22 ARG 32 2HH2 ARG 32 -4.862 0.534 -9.925 234 H LEU 33 H LEU 33 -2.362 0.910 -4.326 235 HA LEU 33 HA LEU 33 -4.574 2.697 -4.357 236 HB2 LEU 33 2HB LEU 33 -1.576 3.105 -4.849 237 HB3 LEU 33 3HB LEU 33 -2.716 4.369 -4.446 238 HG LEU 33 HG LEU 33 -1.704 2.092 -2.703 239 HD11 LEU 33 1HD1 LEU 33 -1.201 4.011 -1.153 240 HD12 LEU 33 2HD1 LEU 33 -0.329 4.043 -2.694 241 HD13 LEU 33 3HD1 LEU 33 -1.709 5.115 -2.444 242 HD21 LEU 33 1HD2 LEU 33 -4.173 3.767 -2.156 243 HD22 LEU 33 2HD2 LEU 33 -4.025 2.001 -2.195 244 HD23 LEU 33 3HD2 LEU 33 -3.257 2.910 -0.901 245 HA PRO 34 HA PRO 34 -5.243 3.002 -8.700 246 HB2 PRO 34 2HB PRO 34 -5.745 5.701 -9.092 247 HB3 PRO 34 3HB PRO 34 -6.898 4.545 -8.355 248 HG2 PRO 34 2HG PRO 34 -4.984 6.420 -6.938 249 HG3 PRO 34 3HG PRO 34 -6.727 6.157 -6.604 250 HD2 PRO 34 2HD PRO 34 -4.836 4.908 -5.145 251 HD3 PRO 34 3HD PRO 34 -6.304 4.020 -5.642 252 H CYS 35 H CYS 35 -2.684 4.843 -7.228 253 HA CYS 35 HA CYS 35 -1.141 5.080 -9.824 254 HB2 CYS 35 2HB CYS 35 -1.088 7.252 -9.031 255 HB3 CYS 35 3HB CYS 35 -1.080 6.764 -7.322 256 H MET 36 H MET 36 -1.372 2.830 -9.501 257 HA MET 36 HA MET 36 -0.642 0.849 -8.559 258 HB2 MET 36 2HB MET 36 1.465 2.133 -10.369 259 HB3 MET 36 3HB MET 36 1.455 0.411 -9.964 260 HG2 MET 36 2HG MET 36 -0.819 0.204 -10.925 261 HG3 MET 36 3HG MET 36 -0.738 1.897 -11.446 262 HE1 MET 36 1HE MET 36 -1.394 0.770 -13.896 263 HE2 MET 36 2HE MET 36 -0.355 -0.432 -14.698 264 HE3 MET 36 3HE MET 36 -1.227 -0.868 -13.211 265 H HIS 37 H HIS 37 -0.387 1.339 -6.346 266 HA HIS 37 HA HIS 37 2.376 0.566 -5.646 267 HB2 HIS 37 1HB HIS 37 0.959 2.965 -4.463 268 HB3 HIS 37 2HB HIS 37 2.114 2.031 -3.513 269 HD2 HIS 37 2HD HIS 37 4.672 1.831 -4.453 270 HE1 HIS 37 1HE HIS 37 4.517 5.354 -6.850 271 HE2 HIS 37 2HE HIS 37 6.060 3.601 -5.812 272 H LEU 38 H LEU 38 2.175 -1.356 -4.689 273 HA LEU 38 HA LEU 38 -0.410 -2.424 -3.893 274 HB2 LEU 38 2HB LEU 38 1.161 -3.871 -4.988 275 HB3 LEU 38 3HB LEU 38 2.481 -3.415 -3.914 276 HG LEU 38 HG LEU 38 0.110 -4.627 -2.548 277 HD11 LEU 38 1HD1 LEU 38 0.185 -5.971 -4.590 278 HD12 LEU 38 2HD1 LEU 38 1.926 -6.232 -4.362 279 HD13 LEU 38 3HD1 LEU 38 0.755 -6.902 -3.200 280 HD21 LEU 38 1HD2 LEU 38 1.868 -5.866 -1.330 281 HD22 LEU 38 2HD2 LEU 38 3.110 -5.173 -2.396 282 HD23 LEU 38 3HD2 LEU 38 2.208 -4.139 -1.279 283 H PHE 39 H PHE 39 -1.225 -2.415 -1.774 284 HA PHE 39 HA PHE 39 0.643 -2.495 0.428 285 HB2 PHE 39 2HB PHE 39 -1.292 -0.170 0.101 286 HB3 PHE 39 3HB PHE 39 -0.489 -0.591 1.616 287 HD1 PHE 39 1HD PHE 39 2.290 -1.003 1.041 288 HD2 PHE 39 2HD PHE 39 -0.426 1.829 -0.724 289 HE1 PHE 39 1HE PHE 39 4.187 0.499 0.553 290 HE2 PHE 39 2HE PHE 39 1.481 3.354 -1.201 291 HZ PHE 39 HZ PHE 39 3.791 2.686 -0.568 292 H HIS 40 H HIS 40 -0.389 -3.388 2.222 293 HA HIS 40 HA HIS 40 -2.911 -4.819 1.937 294 HB2 HIS 40 1HB HIS 40 -1.355 -5.818 3.307 295 HB3 HIS 40 2HB HIS 40 -0.761 -4.341 3.939 296 HD2 HIS 40 2HD HIS 40 -4.343 -5.813 4.264 297 HE1 HIS 40 1HE HIS 40 -2.402 -6.308 7.962 298 HE2 HIS 40 2HE HIS 40 -4.471 -6.753 6.676 299 H GLN 41 H GLN 41 -4.968 -4.189 2.876 300 HA GLN 41 HA GLN 41 -5.463 -1.471 2.766 301 HB2 GLN 41 2HB GLN 41 -7.179 -3.360 2.659 302 HB3 GLN 41 3HB GLN 41 -7.085 -3.457 4.426 303 HG2 GLN 41 2HG GLN 41 -7.676 -0.939 4.444 304 HG3 GLN 41 3HG GLN 41 -8.031 -1.114 2.721 305 HE21 GLN 41 1HE2 GLN 41 -9.733 -0.618 5.342 306 HE22 GLN 41 2HE2 GLN 41 -11.013 -1.804 5.131 307 H VAL 42 H VAL 42 -4.949 -3.458 5.700 308 HA VAL 42 HA VAL 42 -5.256 -1.207 7.475 309 HB VAL 42 HB VAL 42 -3.790 -3.807 8.032 310 HG11 VAL 42 1HG1 VAL 42 -4.401 -3.320 10.392 311 HG12 VAL 42 2HG1 VAL 42 -3.323 -2.089 9.722 312 HG13 VAL 42 3HG1 VAL 42 -5.058 -1.747 9.884 313 HG21 VAL 42 1HG2 VAL 42 -6.723 -3.054 8.412 314 HG22 VAL 42 2HG2 VAL 42 -6.102 -4.288 7.294 315 HG23 VAL 42 3HG2 VAL 42 -5.961 -4.530 9.036 316 H CYS 43 H CYS 43 -2.375 -2.596 5.729 317 HA CYS 43 HA CYS 43 -0.304 -1.116 7.069 318 HB2 CYS 43 2HB CYS 43 -0.811 -2.314 4.357 319 HB3 CYS 43 3HB CYS 43 0.474 -1.208 4.528 320 H VAL 44 H VAL 44 -2.302 -0.208 4.224 321 HA VAL 44 HA VAL 44 -1.241 2.249 3.716 322 HB VAL 44 HB VAL 44 -4.177 1.421 3.565 323 HG11 VAL 44 1HG1 VAL 44 -4.123 3.894 3.569 324 HG12 VAL 44 2HG1 VAL 44 -2.905 3.867 2.272 325 HG13 VAL 44 3HG1 VAL 44 -4.544 3.256 1.982 326 HG21 VAL 44 1HG2 VAL 44 -2.633 0.160 2.110 327 HG22 VAL 44 2HG2 VAL 44 -3.691 1.191 1.152 328 HG23 VAL 44 3HG2 VAL 44 -2.006 1.685 1.446 329 H ASP 45 H ASP 45 -3.833 1.602 6.183 330 HA ASP 45 HA ASP 45 -3.768 4.433 6.886 331 HB2 ASP 45 2HB ASP 45 -5.870 3.006 6.818 332 HB3 ASP 45 3HB ASP 45 -5.318 2.261 8.325 333 H GLN 46 H GLN 46 -1.297 3.050 7.280 334 HA GLN 46 HA GLN 46 -0.935 3.716 10.142 335 HB2 GLN 46 2HB GLN 46 -0.756 1.135 9.162 336 HB3 GLN 46 3HB GLN 46 0.923 1.687 9.027 337 HG2 GLN 46 2HG GLN 46 0.841 2.399 11.424 338 HG3 GLN 46 3HG GLN 46 -0.830 1.806 11.516 339 HE21 GLN 46 1HE2 GLN 46 0.166 0.468 13.350 340 HE22 GLN 46 2HE2 GLN 46 0.907 -1.051 12.859 341 H ARG 47 H ARG 47 0.600 3.442 6.903 342 HA ARG 47 HA ARG 47 2.661 5.408 7.770 343 HB2 ARG 47 2HB ARG 47 3.306 3.532 6.311 344 HB3 ARG 47 3HB ARG 47 2.216 4.136 5.044 345 HG2 ARG 47 2HG ARG 47 3.633 6.185 4.885 346 HG3 ARG 47 3HG ARG 47 4.659 5.533 6.185 347 HD2 ARG 47 2HD ARG 47 4.635 3.380 4.496 348 HD3 ARG 47 3HD ARG 47 4.359 4.653 3.320 349 HE ARG 47 HE ARG 47 6.512 5.414 3.613 350 HH11 ARG 47 1HH1 ARG 47 9.093 4.158 5.667 351 HH12 ARG 47 2HH1 ARG 47 8.711 5.209 4.353 352 HH21 ARG 47 1HH2 ARG 47 7.382 2.877 6.699 353 HH22 ARG 47 2HH2 ARG 47 5.760 3.075 6.165 354 H LEU 48 H LEU 48 -0.263 5.250 5.660 355 HA LEU 48 HA LEU 48 0.290 7.955 4.709 356 HB2 LEU 48 2HB LEU 48 -2.128 6.142 4.320 357 HB3 LEU 48 3HB LEU 48 -2.014 7.779 3.725 358 HG LEU 48 HG LEU 48 -1.530 6.359 1.914 359 HD11 LEU 48 1HD1 LEU 48 -0.114 8.409 2.103 360 HD12 LEU 48 2HD1 LEU 48 1.181 7.409 2.820 361 HD13 LEU 48 3HD1 LEU 48 0.632 7.110 1.166 362 HD21 LEU 48 1HD2 LEU 48 0.206 4.701 1.799 363 HD22 LEU 48 2HD2 LEU 48 0.769 5.082 3.435 364 HD23 LEU 48 3HD2 LEU 48 -0.824 4.343 3.190 365 H ILE 49 H ILE 49 -2.390 6.557 6.670 366 HA ILE 49 HA ILE 49 -3.877 7.514 8.076 367 HB ILE 49 HB ILE 49 -1.282 8.618 9.185 368 HG12 ILE 49 2HG1 ILE 49 -2.962 6.181 9.917 369 HG13 ILE 49 3HG1 ILE 49 -1.466 6.148 8.977 370 HG21 ILE 49 1HG2 ILE 49 -3.237 9.907 10.095 371 HG22 ILE 49 2HG2 ILE 49 -4.014 8.372 10.544 372 HG23 ILE 49 3HG2 ILE 49 -2.505 8.907 11.320 373 HD11 ILE 49 1HD1 ILE 49 -1.738 6.981 11.896 374 HD12 ILE 49 2HD1 ILE 49 -0.928 5.561 11.260 375 HD13 ILE 49 3HD1 ILE 49 -0.251 7.167 10.928 376 H THR 50 H THR 50 -5.250 8.792 6.956 377 HA THR 50 HA THR 50 -6.202 10.560 5.995 378 HB THR 50 HB THR 50 -6.152 11.160 8.455 379 HG1 THR 50 1HG THR 50 -7.589 12.081 7.063 380 HG21 THR 50 1HG2 THR 50 -4.022 12.130 8.924 381 HG22 THR 50 2HG2 THR 50 -4.124 13.227 7.523 382 HG23 THR 50 3HG2 THR 50 -5.185 13.447 8.925 383 H ASN 51 H ASN 51 -3.178 9.975 5.249 384 HA ASN 51 HA ASN 51 -2.856 12.380 3.534 385 HB2 ASN 51 2HB ASN 51 -0.844 11.645 4.799 386 HB3 ASN 51 3HB ASN 51 -0.984 10.044 4.047 387 HD21 ASN 51 1HD2 ASN 51 1.164 10.316 3.097 388 HD22 ASN 51 2HD2 ASN 51 1.311 11.310 1.658 389 H LYS 52 H LYS 52 -2.691 12.000 1.232 390 HA LYS 52 HA LYS 52 -3.802 9.468 0.212 391 HB2 LYS 52 2HB LYS 52 -5.568 10.892 -0.989 392 HB3 LYS 52 3HB LYS 52 -5.860 10.446 0.682 393 HG2 LYS 52 2HG LYS 52 -4.553 13.120 0.191 394 HG3 LYS 52 3HG LYS 52 -6.259 12.933 -0.224 395 HD2 LYS 52 2HD LYS 52 -6.757 12.095 2.063 396 HD3 LYS 52 3HD LYS 52 -5.075 12.276 2.502 397 HE2 LYS 52 2HE LYS 52 -6.194 14.148 3.376 398 HE3 LYS 52 3HE LYS 52 -5.226 14.728 2.009 399 HZ1 LYS 52 1HZ LYS 52 -7.218 14.720 0.666 400 HZ2 LYS 52 2HZ LYS 52 -8.083 14.008 1.818 401 HZ3 LYS 52 3HZ LYS 52 -7.570 15.556 2.056 402 H LYS 53 H LYS 53 -1.320 10.051 -0.241 403 HA LYS 53 HA LYS 53 -1.265 10.803 -3.049 404 HB2 LYS 53 2HB LYS 53 0.274 12.425 -0.983 405 HB3 LYS 53 3HB LYS 53 0.866 12.198 -2.646 406 HG2 LYS 53 2HG LYS 53 -1.447 12.886 -3.448 407 HG3 LYS 53 3HG LYS 53 -1.777 13.442 -1.800 408 HD2 LYS 53 2HD LYS 53 -0.075 15.153 -1.980 409 HD3 LYS 53 3HD LYS 53 0.523 14.458 -3.528 410 HE2 LYS 53 2HE LYS 53 -1.736 14.694 -4.507 411 HE3 LYS 53 3HE LYS 53 -2.334 15.405 -3.011 412 HZ1 LYS 53 1HZ LYS 53 -1.923 16.964 -4.705 413 HZ2 LYS 53 2HZ LYS 53 -0.948 17.291 -3.407 414 HZ3 LYS 53 3HZ LYS 53 -0.320 16.597 -4.785 415 H CYS 54 H CYS 54 0.753 10.008 -3.994 416 HA CYS 54 HA CYS 54 2.045 7.688 -2.509 417 HB2 CYS 54 2HB CYS 54 1.045 8.200 -5.281 418 HB3 CYS 54 3HB CYS 54 2.601 7.336 -5.066 419 HA PRO 55 HA PRO 55 5.814 10.040 -3.070 420 HB2 PRO 55 2HB PRO 55 7.691 8.062 -3.290 421 HB3 PRO 55 3HB PRO 55 6.830 8.405 -1.756 422 HG2 PRO 55 2HG PRO 55 6.163 6.283 -3.825 423 HG3 PRO 55 3HG PRO 55 6.325 6.084 -2.052 424 HD2 PRO 55 2HD PRO 55 3.903 6.431 -3.250 425 HD3 PRO 55 3HD PRO 55 4.258 7.159 -1.652 426 H ILE 56 H ILE 56 6.551 11.030 -4.829 427 HA ILE 56 HA ILE 56 6.589 11.716 -6.941 428 HB ILE 56 HB ILE 56 8.780 10.865 -6.424 429 HG12 ILE 56 2HG1 ILE 56 8.436 10.390 -9.379 430 HG13 ILE 56 3HG1 ILE 56 8.032 11.967 -8.687 431 HG21 ILE 56 1HG2 ILE 56 8.415 8.460 -6.248 432 HG22 ILE 56 2HG2 ILE 56 7.996 8.365 -7.971 433 HG23 ILE 56 3HG2 ILE 56 9.646 8.787 -7.469 434 HD11 ILE 56 1HD1 ILE 56 10.298 12.175 -7.749 435 HD12 ILE 56 2HD1 ILE 56 10.735 10.585 -8.419 436 HD13 ILE 56 3HD1 ILE 56 10.342 11.931 -9.504 437 H CYS 57 H CYS 57 4.335 9.903 -6.459 438 HA CYS 57 HA CYS 57 3.388 9.122 -9.228 439 HB2 CYS 57 2HB CYS 57 2.455 9.128 -6.390 440 HB3 CYS 57 3HB CYS 57 1.244 9.184 -7.669 441 H ARG 58 H ARG 58 2.747 11.422 -6.579 442 HA ARG 58 HA ARG 58 1.948 13.528 -6.483 443 HB2 ARG 58 2HB ARG 58 3.551 13.791 -8.596 444 HB3 ARG 58 3HB ARG 58 2.015 13.987 -9.455 445 HG2 ARG 58 2HG ARG 58 1.420 15.811 -7.775 446 HG3 ARG 58 3HG ARG 58 3.040 15.603 -7.082 447 HD2 ARG 58 2HD ARG 58 3.945 16.051 -9.445 448 HD3 ARG 58 3HD ARG 58 2.291 16.539 -9.873 449 HE ARG 58 HE ARG 58 3.322 17.845 -7.492 450 HH11 ARG 58 1HH1 ARG 58 4.038 20.893 -9.097 451 HH12 ARG 58 2HH1 ARG 58 3.894 20.092 -7.579 452 HH21 ARG 58 1HH2 ARG 58 3.673 19.690 -11.110 453 HH22 ARG 58 2HH2 ARG 58 3.267 18.013 -11.016 454 H VAL 59 H VAL 59 0.388 10.990 -7.813 455 HA VAL 59 HA VAL 59 -2.128 12.290 -8.557 456 HB VAL 59 HB VAL 59 -1.167 9.415 -8.207 457 HG11 VAL 59 1HG1 VAL 59 -3.897 10.405 -9.150 458 HG12 VAL 59 2HG1 VAL 59 -3.306 8.739 -9.330 459 HG13 VAL 59 3HG1 VAL 59 -3.556 9.407 -7.718 460 HG21 VAL 59 1HG2 VAL 59 -0.259 10.562 -10.205 461 HG22 VAL 59 2HG2 VAL 59 -1.410 9.304 -10.671 462 HG23 VAL 59 3HG2 VAL 59 -1.906 11.009 -10.701 463 H ASP 60 H ASP 60 -3.852 12.467 -7.096 464 HA ASP 60 HA ASP 60 -3.307 11.832 -4.291 465 HB2 ASP 60 2HB ASP 60 -5.594 13.221 -5.749 466 HB3 ASP 60 3HB ASP 60 -5.703 12.752 -4.050 467 H ILE 61 H ILE 61 -4.175 10.159 -3.254 468 HA ILE 61 HA ILE 61 -4.983 7.848 -4.820 469 HB ILE 61 HB ILE 61 -4.281 8.308 -1.897 470 HG12 ILE 61 2HG1 ILE 61 -2.427 9.087 -3.050 471 HG13 ILE 61 3HG1 ILE 61 -1.985 7.482 -2.520 472 HG21 ILE 61 1HG2 ILE 61 -3.650 6.041 -1.698 473 HG22 ILE 61 2HG2 ILE 61 -5.322 6.103 -2.268 474 HG23 ILE 61 3HG2 ILE 61 -4.009 5.709 -3.408 475 HD11 ILE 61 1HD1 ILE 61 -1.247 7.960 -4.806 476 HD12 ILE 61 2HD1 ILE 61 -2.447 6.644 -4.821 477 HD13 ILE 61 3HD1 ILE 61 -2.900 8.293 -5.312 478 H GLU 62 H GLU 62 -6.505 10.210 -2.929 479 HA GLU 62 HA GLU 62 -8.924 8.611 -2.271 480 HB2 GLU 62 2HB GLU 62 -7.719 9.662 -0.405 481 HB3 GLU 62 3HB GLU 62 -7.729 11.217 -1.249 482 HG2 GLU 62 2HG GLU 62 -10.191 11.330 -1.001 483 HG3 GLU 62 3HG GLU 62 -10.148 9.803 -0.094 484 H ALA 63 H ALA 63 -10.554 8.967 -3.821 485 HA ALA 63 HA ALA 63 -10.889 11.635 -4.988 486 HB1 ALA 63 1HB ALA 63 -10.291 9.159 -6.680 487 HB2 ALA 63 2HB ALA 63 -10.810 10.743 -7.297 488 HB3 ALA 63 3HB ALA 63 -9.233 10.578 -6.497 489 H GLN 64 H GLN 64 -12.542 10.808 -3.193 490 HA GLN 64 HA GLN 64 -14.914 9.875 -4.591 491 HB2 GLN 64 2HB GLN 64 -13.737 7.801 -3.809 492 HB3 GLN 64 3HB GLN 64 -13.810 8.405 -2.149 493 HG2 GLN 64 2HG GLN 64 -16.262 8.273 -2.178 494 HG3 GLN 64 3HG GLN 64 -16.249 7.893 -3.911 495 HE21 GLN 64 1HE2 GLN 64 -15.104 6.655 -0.691 496 HE22 GLN 64 2HE2 GLN 64 -15.227 4.974 -1.195 497 H LEU 65 H LEU 65 -16.832 10.224 -3.052 498 HA LEU 65 HA LEU 65 -18.052 11.652 -1.781 499 HB2 LEU 65 2HB LEU 65 -16.940 10.248 -0.038 500 HB3 LEU 65 3HB LEU 65 -15.695 11.482 0.120 501 HG LEU 65 HG LEU 65 -18.138 12.913 0.350 502 HD11 LEU 65 1HD1 LEU 65 -19.315 10.752 0.633 503 HD12 LEU 65 2HD1 LEU 65 -18.238 10.350 1.993 504 HD13 LEU 65 3HD1 LEU 65 -19.350 11.727 2.114 505 HD21 LEU 65 1HD2 LEU 65 -16.296 11.863 2.545 506 HD22 LEU 65 2HD2 LEU 65 -16.057 13.353 1.609 507 HD23 LEU 65 3HD2 LEU 65 -17.446 13.213 2.696 508 HA PRO 66 HA PRO 66 -15.651 15.425 -3.089 509 HB2 PRO 66 2HB PRO 66 -17.398 16.352 -4.987 510 HB3 PRO 66 3HB PRO 66 -16.108 15.161 -5.346 511 HG2 PRO 66 2HG PRO 66 -19.034 14.611 -4.763 512 HG3 PRO 66 3HG PRO 66 -18.026 13.953 -6.090 513 HD2 PRO 66 2HD PRO 66 -18.484 12.566 -3.780 514 HD3 PRO 66 3HD PRO 66 -16.908 12.476 -4.630 515 H SER 67 H SER 67 -16.009 16.541 -1.216 516 HA SER 67 HA SER 67 -18.545 17.978 -0.908 517 HB2 SER 67 2HB SER 67 -18.721 15.850 0.445 518 HB3 SER 67 3HB SER 67 -17.282 16.357 1.352 519 HG SER 67 HG SER 67 -18.551 17.509 2.512 520 H GLU 68 H GLU 68 -18.003 19.418 1.278 521 HA GLU 68 HA GLU 68 -15.207 20.387 1.067 522 HB2 GLU 68 2HB GLU 68 -17.149 21.826 -0.101 523 HB3 GLU 68 3HB GLU 68 -17.410 22.393 1.543 524 HG2 GLU 68 2HG GLU 68 -14.841 22.507 -0.096 525 HG3 GLU 68 3HG GLU 68 -15.876 23.867 0.336 526 H SER 69 H SER 69 -14.627 19.315 2.861 527 HA SER 69 HA SER 69 -14.674 18.303 4.882 528 HB2 SER 69 2HB SER 69 -14.461 20.671 5.665 529 HB3 SER 69 3HB SER 69 -16.229 20.738 5.822 530 HG SER 69 HG SER 69 -16.045 18.903 7.192 Start of MODEL 29 1 H1 MET 1 H1 MET 1 39.507 -24.273 -3.817 2 H2 MET 1 H2 MET 1 39.256 -25.566 -4.814 3 H3 MET 1 H3 MET 1 38.226 -24.279 -4.850 4 HA MET 1 HA MET 1 37.219 -26.109 -3.673 5 HB2 MET 1 2HB MET 1 39.698 -25.785 -1.931 6 HB3 MET 1 3HB MET 1 38.245 -26.666 -1.426 7 HG2 MET 1 2HG MET 1 39.918 -27.338 -3.879 8 HG3 MET 1 3HG MET 1 39.996 -28.152 -2.315 9 HE1 MET 1 1HE MET 1 39.619 -30.450 -2.999 10 HE2 MET 1 2HE MET 1 38.323 -31.054 -4.053 11 HE3 MET 1 3HE MET 1 39.617 -30.038 -4.730 12 H LYS 2 H LYS 2 35.707 -24.285 -3.717 13 HA LYS 2 HA LYS 2 35.058 -23.365 -1.178 14 HB2 LYS 2 2HB LYS 2 35.267 -20.929 -1.448 15 HB3 LYS 2 3HB LYS 2 36.843 -21.693 -1.404 16 HG2 LYS 2 2HG LYS 2 36.888 -21.580 -3.952 17 HG3 LYS 2 3HG LYS 2 35.389 -20.629 -3.863 18 HD2 LYS 2 2HD LYS 2 36.565 -18.985 -2.383 19 HD3 LYS 2 3HD LYS 2 38.060 -19.930 -2.564 20 HE2 LYS 2 2HE LYS 2 37.930 -19.596 -5.043 21 HE3 LYS 2 3HE LYS 2 36.485 -18.598 -4.813 22 HZ1 LYS 2 1HZ LYS 2 38.453 -17.249 -5.016 23 HZ2 LYS 2 2HZ LYS 2 37.828 -17.075 -3.507 24 HZ3 LYS 2 3HZ LYS 2 39.173 -17.997 -3.740 25 H GLN 3 H GLN 3 33.119 -21.632 -1.544 26 HA GLN 3 HA GLN 3 31.885 -21.822 -4.153 27 HB2 GLN 3 2HB GLN 3 31.321 -23.953 -2.716 28 HB3 GLN 3 3HB GLN 3 30.297 -22.869 -1.773 29 HG2 GLN 3 2HG GLN 3 28.904 -22.420 -3.707 30 HG3 GLN 3 3HG GLN 3 30.098 -23.136 -4.806 31 HE21 GLN 3 1HE2 GLN 3 29.827 -25.320 -5.350 32 HE22 GLN 3 2HE2 GLN 3 28.786 -26.389 -4.419 33 H ASP 4 H ASP 4 29.703 -20.406 -3.948 34 HA ASP 4 HA ASP 4 30.137 -18.300 -1.890 35 HB2 ASP 4 2HB ASP 4 31.346 -17.872 -4.104 36 HB3 ASP 4 3HB ASP 4 29.753 -17.748 -4.856 37 H GLY 5 H GLY 5 28.232 -20.304 -1.766 38 HA2 GLY 5 2HA GLY 5 25.993 -20.704 -1.562 39 HA3 GLY 5 3HA GLY 5 25.767 -18.940 -1.541 40 H GLU 6 H GLU 6 23.998 -18.825 -2.842 41 HA GLU 6 HA GLU 6 24.375 -18.853 -5.653 42 HB2 GLU 6 2HB GLU 6 22.582 -20.425 -6.241 43 HB3 GLU 6 3HB GLU 6 23.866 -21.247 -5.361 44 HG2 GLU 6 2HG GLU 6 22.341 -20.766 -3.236 45 HG3 GLU 6 3HG GLU 6 21.067 -20.568 -4.442 46 H GLU 7 H GLU 7 21.839 -18.316 -6.529 47 HA GLU 7 HA GLU 7 20.536 -16.594 -4.553 48 HB2 GLU 7 2HB GLU 7 22.325 -15.512 -6.537 49 HB3 GLU 7 3HB GLU 7 20.675 -15.131 -7.045 50 HG2 GLU 7 2HG GLU 7 20.203 -14.228 -4.761 51 HG3 GLU 7 3HG GLU 7 21.871 -14.585 -4.292 52 H GLY 8 H GLY 8 18.500 -15.599 -5.835 53 HA2 GLY 8 2HA GLY 8 17.284 -17.829 -7.406 54 HA3 GLY 8 3HA GLY 8 16.468 -17.116 -6.001 55 H THR 9 H THR 9 14.674 -16.310 -7.274 56 HA THR 9 HA THR 9 15.142 -13.774 -8.513 57 HB THR 9 HB THR 9 15.803 -15.255 -10.365 58 HG1 THR 9 1HG THR 9 14.399 -14.366 -11.877 59 HG21 THR 9 1HG2 THR 9 12.964 -16.343 -10.240 60 HG22 THR 9 2HG2 THR 9 14.182 -16.706 -11.480 61 HG23 THR 9 3HG2 THR 9 14.440 -17.239 -9.812 62 H GLU 10 H GLU 10 12.718 -13.412 -9.704 63 HA GLU 10 HA GLU 10 10.499 -13.140 -9.442 64 HB2 GLU 10 2HB GLU 10 10.754 -15.719 -8.543 65 HB3 GLU 10 3HB GLU 10 10.125 -14.940 -7.094 66 HG2 GLU 10 2HG GLU 10 8.160 -15.513 -8.163 67 HG3 GLU 10 3HG GLU 10 8.376 -13.892 -8.833 68 H GLU 11 H GLU 11 8.890 -12.857 -7.165 69 HA GLU 11 HA GLU 11 8.319 -11.410 -5.554 70 HB2 GLU 11 2HB GLU 11 10.818 -12.762 -4.624 71 HB3 GLU 11 3HB GLU 11 10.267 -11.388 -3.677 72 HG2 GLU 11 2HG GLU 11 7.953 -12.457 -3.634 73 HG3 GLU 11 3HG GLU 11 8.761 -13.943 -4.177 74 H ASP 12 H ASP 12 8.290 -9.371 -6.889 75 HA ASP 12 HA ASP 12 9.704 -7.620 -5.205 76 HB2 ASP 12 2HB ASP 12 11.317 -7.903 -7.208 77 HB3 ASP 12 3HB ASP 12 10.131 -6.945 -8.116 78 H THR 13 H THR 13 8.761 -5.656 -4.934 79 HA THR 13 HA THR 13 6.660 -4.941 -4.144 80 HB THR 13 HB THR 13 6.982 -4.036 -7.027 81 HG1 THR 13 1HG THR 13 7.946 -2.959 -4.584 82 HG21 THR 13 1HG2 THR 13 5.447 -2.803 -4.700 83 HG22 THR 13 2HG2 THR 13 6.112 -1.822 -6.030 84 HG23 THR 13 3HG2 THR 13 4.905 -3.051 -6.376 85 H GLU 14 H GLU 14 6.244 -7.705 -4.961 86 HA GLU 14 HA GLU 14 3.921 -7.612 -6.676 87 HB2 GLU 14 2HB GLU 14 5.953 -9.281 -6.625 88 HB3 GLU 14 3HB GLU 14 4.991 -10.143 -5.420 89 HG2 GLU 14 2HG GLU 14 3.137 -10.357 -7.021 90 HG3 GLU 14 3HG GLU 14 3.947 -9.271 -8.159 91 H GLU 15 H GLU 15 4.561 -8.822 -3.331 92 HA GLU 15 HA GLU 15 1.838 -7.975 -2.609 93 HB2 GLU 15 2HB GLU 15 2.071 -10.527 -3.476 94 HB3 GLU 15 3HB GLU 15 2.585 -10.788 -1.824 95 HG2 GLU 15 2HG GLU 15 0.356 -10.992 -1.397 96 HG3 GLU 15 3HG GLU 15 0.348 -9.230 -1.428 97 H LYS 16 H LYS 16 4.038 -6.626 -1.890 98 HA LYS 16 HA LYS 16 4.911 -7.667 0.764 99 HB2 LYS 16 2HB LYS 16 6.528 -5.967 -1.178 100 HB3 LYS 16 3HB LYS 16 7.067 -6.591 0.385 101 HG2 LYS 16 2HG LYS 16 6.532 -8.927 -0.538 102 HG3 LYS 16 3HG LYS 16 6.373 -8.206 -2.105 103 HD2 LYS 16 2HD LYS 16 8.923 -8.081 -0.421 104 HD3 LYS 16 3HD LYS 16 8.564 -9.361 -1.587 105 HE2 LYS 16 2HE LYS 16 8.307 -7.557 -3.349 106 HE3 LYS 16 3HE LYS 16 8.936 -6.409 -2.168 107 HZ1 LYS 16 1HZ LYS 16 10.963 -7.838 -2.083 108 HZ2 LYS 16 2HZ LYS 16 10.370 -8.742 -3.317 109 HZ3 LYS 16 3HZ LYS 16 10.714 -7.165 -3.570 110 H CYS 17 H CYS 17 4.202 -6.467 2.476 111 HA CYS 17 HA CYS 17 2.870 -3.848 2.082 112 HB2 CYS 17 2HB CYS 17 2.157 -5.679 3.672 113 HB3 CYS 17 3HB CYS 17 3.594 -5.305 4.623 114 H THR 18 H THR 18 4.087 -2.023 1.958 115 HA THR 18 HA THR 18 6.776 -2.031 3.303 116 HB THR 18 HB THR 18 7.354 -0.165 1.806 117 HG1 THR 18 1HG THR 18 5.014 -0.839 0.390 118 HG21 THR 18 1HG2 THR 18 6.421 -2.698 0.342 119 HG22 THR 18 2HG2 THR 18 7.557 -1.494 -0.286 120 HG23 THR 18 3HG2 THR 18 7.987 -2.462 1.131 121 H ILE 19 H ILE 19 3.889 -1.590 4.310 122 HA ILE 19 HA ILE 19 4.309 1.026 5.623 123 HB ILE 19 HB ILE 19 1.957 -0.858 5.717 124 HG12 ILE 19 2HG1 ILE 19 2.742 1.283 3.763 125 HG13 ILE 19 3HG1 ILE 19 1.867 -0.254 3.522 126 HG21 ILE 19 1HG2 ILE 19 2.187 0.617 7.682 127 HG22 ILE 19 2HG2 ILE 19 2.435 2.006 6.619 128 HG23 ILE 19 3HG2 ILE 19 0.857 1.210 6.701 129 HD11 ILE 19 1HD1 ILE 19 0.435 1.574 3.096 130 HD12 ILE 19 2HD1 ILE 19 -0.082 0.655 4.526 131 HD13 ILE 19 3HD1 ILE 19 0.733 2.245 4.717 132 H CYS 20 H CYS 20 3.299 -2.361 6.457 133 HA CYS 20 HA CYS 20 4.370 -2.172 9.209 134 HB2 CYS 20 2HB CYS 20 3.610 -4.530 9.268 135 HB3 CYS 20 3HB CYS 20 2.340 -3.341 8.985 136 H LEU 21 H LEU 21 5.819 -2.619 6.186 137 HA LEU 21 HA LEU 21 7.813 -3.409 5.500 138 HB2 LEU 21 2HB LEU 21 8.502 -3.033 8.436 139 HB3 LEU 21 3HB LEU 21 9.680 -3.422 7.197 140 HG LEU 21 HG LEU 21 8.032 -1.143 6.357 141 HD11 LEU 21 1HD1 LEU 21 8.925 0.488 7.978 142 HD12 LEU 21 2HD1 LEU 21 7.861 -0.689 8.765 143 HD13 LEU 21 3HD1 LEU 21 9.627 -0.836 8.938 144 HD21 LEU 21 1HD2 LEU 21 11.016 -1.435 6.907 145 HD22 LEU 21 2HD2 LEU 21 10.210 -1.808 5.366 146 HD23 LEU 21 3HD2 LEU 21 10.238 -0.140 5.974 147 H SER 22 H SER 22 6.058 -5.346 5.451 148 HA SER 22 HA SER 22 7.698 -7.688 5.966 149 HB2 SER 22 2HB SER 22 5.547 -8.789 7.083 150 HB3 SER 22 3HB SER 22 6.788 -7.976 8.038 151 HG SER 22 HG SER 22 4.508 -6.588 7.084 152 H ILE 23 H ILE 23 7.087 -9.457 4.700 153 HA ILE 23 HA ILE 23 5.355 -8.771 2.437 154 HB ILE 23 HB ILE 23 7.060 -11.227 3.049 155 HG12 ILE 23 2HG1 ILE 23 8.297 -10.149 1.006 156 HG13 ILE 23 3HG1 ILE 23 7.470 -8.660 1.469 157 HG21 ILE 23 1HG2 ILE 23 5.265 -11.793 1.535 158 HG22 ILE 23 2HG2 ILE 23 5.482 -10.340 0.593 159 HG23 ILE 23 3HG2 ILE 23 6.719 -11.630 0.574 160 HD11 ILE 23 1HD1 ILE 23 8.734 -8.569 3.539 161 HD12 ILE 23 2HD1 ILE 23 9.396 -10.201 3.235 162 HD13 ILE 23 3HD1 ILE 23 9.817 -8.831 2.172 163 H LEU 24 H LEU 24 3.607 -10.307 1.821 164 HA LEU 24 HA LEU 24 2.003 -10.920 4.233 165 HB2 LEU 24 2HB LEU 24 1.167 -10.520 1.333 166 HB3 LEU 24 3HB LEU 24 0.101 -10.648 2.731 167 HG LEU 24 HG LEU 24 2.206 -8.448 2.373 168 HD11 LEU 24 1HD1 LEU 24 0.672 -8.541 0.502 169 HD12 LEU 24 2HD1 LEU 24 -0.726 -8.479 1.599 170 HD13 LEU 24 3HD1 LEU 24 0.413 -7.100 1.478 171 HD21 LEU 24 1HD2 LEU 24 -0.287 -8.675 4.081 172 HD22 LEU 24 2HD2 LEU 24 1.388 -8.673 4.677 173 HD23 LEU 24 3HD2 LEU 24 0.695 -7.217 3.908 174 H GLU 25 H GLU 25 1.713 -12.323 0.988 175 HA GLU 25 HA GLU 25 2.247 -14.277 0.068 176 HB2 GLU 25 2HB GLU 25 3.205 -15.390 2.720 177 HB3 GLU 25 3HB GLU 25 3.498 -16.004 1.091 178 HG2 GLU 25 2HG GLU 25 4.671 -13.754 0.641 179 HG3 GLU 25 3HG GLU 25 4.655 -13.573 2.421 180 H GLU 26 H GLU 26 -0.298 -13.626 1.322 181 HA GLU 26 HA GLU 26 -1.444 -16.293 1.114 182 HB2 GLU 26 2HB GLU 26 -1.004 -15.115 3.722 183 HB3 GLU 26 3HB GLU 26 -2.741 -15.105 3.408 184 HG2 GLU 26 2HG GLU 26 -2.651 -17.509 2.803 185 HG3 GLU 26 3HG GLU 26 -0.908 -17.527 3.092 186 H GLY 27 H GLY 27 -4.070 -15.737 1.629 187 HA2 GLY 27 2HA GLY 27 -4.701 -13.767 -0.478 188 HA3 GLY 27 3HA GLY 27 -5.839 -14.812 0.398 189 H GLU 28 H GLU 28 -3.380 -12.318 1.369 190 HA GLU 28 HA GLU 28 -5.099 -11.373 3.505 191 HB2 GLU 28 2HB GLU 28 -2.551 -10.287 2.242 192 HB3 GLU 28 3HB GLU 28 -3.386 -9.503 3.584 193 HG2 GLU 28 2HG GLU 28 -3.227 -12.190 4.412 194 HG3 GLU 28 3HG GLU 28 -1.686 -11.925 3.599 195 H ASP 29 H ASP 29 -5.728 -9.024 3.679 196 HA ASP 29 HA ASP 29 -7.473 -8.453 1.429 197 HB2 ASP 29 2HB ASP 29 -8.404 -6.760 2.902 198 HB3 ASP 29 3HB ASP 29 -8.348 -8.336 3.684 199 H VAL 30 H VAL 30 -5.705 -8.030 -0.075 200 HA VAL 30 HA VAL 30 -4.039 -5.706 0.481 201 HB VAL 30 HB VAL 30 -3.269 -6.020 -1.887 202 HG11 VAL 30 1HG1 VAL 30 -3.207 -8.386 0.047 203 HG12 VAL 30 2HG1 VAL 30 -2.063 -8.122 -1.272 204 HG13 VAL 30 3HG1 VAL 30 -2.130 -6.971 0.073 205 HG21 VAL 30 1HG2 VAL 30 -3.787 -8.042 -3.088 206 HG22 VAL 30 2HG2 VAL 30 -4.907 -8.589 -1.835 207 HG23 VAL 30 3HG2 VAL 30 -5.301 -7.156 -2.821 208 H ARG 31 H ARG 31 -4.327 -3.599 -0.014 209 HA ARG 31 HA ARG 31 -6.602 -2.911 -1.818 210 HB2 ARG 31 2HB ARG 31 -7.074 -2.472 0.538 211 HB3 ARG 31 3HB ARG 31 -5.662 -1.416 0.662 212 HG2 ARG 31 2HG ARG 31 -6.636 0.226 -0.775 213 HG3 ARG 31 3HG ARG 31 -7.881 -0.902 -1.358 214 HD2 ARG 31 2HD ARG 31 -8.970 -0.945 0.817 215 HD3 ARG 31 3HD ARG 31 -7.639 -0.051 1.554 216 HE ARG 31 HE ARG 31 -8.567 1.889 0.917 217 HH11 ARG 31 1HH1 ARG 31 -11.345 2.664 -1.095 218 HH12 ARG 31 2HH1 ARG 31 -10.204 3.270 0.047 219 HH21 ARG 31 1HH2 ARG 31 -11.257 0.385 -1.751 220 HH22 ARG 31 2HH2 ARG 31 -10.044 -0.635 -1.063 221 H ARG 32 H ARG 32 -5.448 -2.629 -3.671 222 HA ARG 32 HA ARG 32 -2.977 -1.109 -3.788 223 HB2 ARG 32 2HB ARG 32 -3.597 -2.753 -5.524 224 HB3 ARG 32 3HB ARG 32 -5.042 -1.799 -5.905 225 HG2 ARG 32 2HG ARG 32 -2.881 0.004 -6.117 226 HG3 ARG 32 3HG ARG 32 -2.300 -1.475 -6.860 227 HD2 ARG 32 2HD ARG 32 -5.054 -0.333 -7.494 228 HD3 ARG 32 3HD ARG 32 -3.626 0.217 -8.357 229 HE ARG 32 HE ARG 32 -3.431 -2.511 -8.538 230 HH11 ARG 32 1HH1 ARG 32 -5.458 -3.105 -11.351 231 HH12 ARG 32 2HH1 ARG 32 -4.142 -3.689 -10.404 232 HH21 ARG 32 1HH2 ARG 32 -6.522 -1.063 -10.761 233 HH22 ARG 32 2HH2 ARG 32 -5.952 -0.196 -9.379 234 H LEU 33 H LEU 33 -2.892 1.107 -3.288 235 HA LEU 33 HA LEU 33 -5.069 2.847 -3.319 236 HB2 LEU 33 2HB LEU 33 -2.052 3.131 -3.830 237 HB3 LEU 33 3HB LEU 33 -3.118 4.505 -3.747 238 HG LEU 33 HG LEU 33 -2.226 4.440 -1.634 239 HD11 LEU 33 1HD1 LEU 33 -4.669 2.702 -1.122 240 HD12 LEU 33 2HD1 LEU 33 -4.026 4.039 -0.139 241 HD13 LEU 33 3HD1 LEU 33 -4.824 4.373 -1.673 242 HD21 LEU 33 1HD2 LEU 33 -1.119 2.215 -1.814 243 HD22 LEU 33 2HD2 LEU 33 -1.809 2.584 -0.230 244 HD23 LEU 33 3HD2 LEU 33 -2.646 1.453 -1.302 245 HA PRO 34 HA PRO 34 -5.905 3.534 -7.578 246 HB2 PRO 34 2HB PRO 34 -6.159 6.289 -7.745 247 HB3 PRO 34 3HB PRO 34 -7.390 5.190 -7.049 248 HG2 PRO 34 2HG PRO 34 -5.261 6.771 -5.585 249 HG3 PRO 34 3HG PRO 34 -7.008 6.639 -5.193 250 HD2 PRO 34 2HD PRO 34 -5.184 5.130 -3.908 251 HD3 PRO 34 3HD PRO 34 -6.746 4.417 -4.392 252 H CYS 35 H CYS 35 -2.943 4.548 -6.114 253 HA CYS 35 HA CYS 35 -1.753 5.543 -8.685 254 HB2 CYS 35 2HB CYS 35 -0.271 6.616 -7.374 255 HB3 CYS 35 3HB CYS 35 -1.694 6.703 -6.320 256 H MET 36 H MET 36 -2.543 2.579 -7.930 257 HA MET 36 HA MET 36 -1.634 0.580 -8.096 258 HB2 MET 36 2HB MET 36 -0.031 2.103 -10.144 259 HB3 MET 36 3HB MET 36 0.271 0.378 -9.876 260 HG2 MET 36 2HG MET 36 -1.972 -0.231 -10.348 261 HG3 MET 36 3HG MET 36 -2.525 1.447 -10.356 262 HE1 MET 36 1HE MET 36 -1.011 3.200 -12.030 263 HE2 MET 36 2HE MET 36 -1.524 2.880 -13.703 264 HE3 MET 36 3HE MET 36 -2.726 2.894 -12.392 265 H HIS 37 H HIS 37 -1.123 1.074 -5.813 266 HA HIS 37 HA HIS 37 1.536 -0.110 -5.410 267 HB2 HIS 37 1HB HIS 37 0.612 2.560 -4.343 268 HB3 HIS 37 2HB HIS 37 1.459 1.486 -3.245 269 HD2 HIS 37 2HD HIS 37 3.945 0.679 -3.878 270 HE1 HIS 37 1HE HIS 37 4.734 3.698 -6.774 271 HE2 HIS 37 2HE HIS 37 5.782 1.869 -5.324 272 H LEU 38 H LEU 38 0.932 -2.058 -4.482 273 HA LEU 38 HA LEU 38 -1.537 -2.101 -2.831 274 HB2 LEU 38 2HB LEU 38 -2.037 -4.122 -3.648 275 HB3 LEU 38 3HB LEU 38 -0.973 -3.685 -4.970 276 HG LEU 38 HG LEU 38 0.907 -4.873 -3.742 277 HD11 LEU 38 1HD1 LEU 38 0.545 -5.456 -1.567 278 HD12 LEU 38 2HD1 LEU 38 -1.218 -5.291 -1.718 279 HD13 LEU 38 3HD1 LEU 38 -0.405 -6.779 -2.220 280 HD21 LEU 38 1HD2 LEU 38 -0.019 -7.124 -4.396 281 HD22 LEU 38 2HD2 LEU 38 -1.608 -6.394 -4.565 282 HD23 LEU 38 3HD2 LEU 38 -0.258 -5.885 -5.624 283 H PHE 39 H PHE 39 -1.418 -2.751 -0.813 284 HA PHE 39 HA PHE 39 1.170 -3.570 0.357 285 HB2 PHE 39 2HB PHE 39 -0.333 -1.134 1.353 286 HB3 PHE 39 3HB PHE 39 1.094 -1.838 2.092 287 HD1 PHE 39 1HD PHE 39 2.899 -2.214 -0.300 288 HD2 PHE 39 2HD PHE 39 0.279 1.042 0.766 289 HE1 PHE 39 1HE PHE 39 4.255 -0.656 -1.660 290 HE2 PHE 39 2HE PHE 39 1.711 2.610 -0.489 291 HZ PHE 39 HZ PHE 39 3.713 1.775 -1.694 292 H HIS 40 H HIS 40 -2.126 -2.467 1.514 293 HA HIS 40 HA HIS 40 -2.944 -5.026 2.510 294 HB2 HIS 40 1HB HIS 40 -1.033 -3.549 4.138 295 HB3 HIS 40 2HB HIS 40 -2.590 -3.457 4.922 296 HD2 HIS 40 2HD HIS 40 -3.568 -6.548 4.279 297 HE1 HIS 40 1HE HIS 40 -0.376 -7.415 6.947 298 HE2 HIS 40 2HE HIS 40 -2.505 -8.303 5.885 299 H GLN 41 H GLN 41 -5.187 -4.635 3.641 300 HA GLN 41 HA GLN 41 -6.292 -2.077 2.819 301 HB2 GLN 41 2HB GLN 41 -7.478 -4.489 3.277 302 HB3 GLN 41 3HB GLN 41 -7.819 -3.675 4.818 303 HG2 GLN 41 2HG GLN 41 -8.588 -1.683 3.317 304 HG3 GLN 41 3HG GLN 41 -8.581 -2.878 2.007 305 HE21 GLN 41 1HE2 GLN 41 -10.270 -1.792 4.914 306 HE22 GLN 41 2HE2 GLN 41 -11.619 -2.896 4.684 307 H VAL 42 H VAL 42 -5.815 -3.621 6.011 308 HA VAL 42 HA VAL 42 -6.446 -1.394 7.563 309 HB VAL 42 HB VAL 42 -4.502 -3.664 8.178 310 HG11 VAL 42 1HG1 VAL 42 -4.149 -1.838 9.792 311 HG12 VAL 42 2HG1 VAL 42 -5.900 -1.701 10.052 312 HG13 VAL 42 3HG1 VAL 42 -5.024 -3.159 10.569 313 HG21 VAL 42 1HG2 VAL 42 -7.476 -3.302 8.763 314 HG22 VAL 42 2HG2 VAL 42 -6.770 -4.476 7.630 315 HG23 VAL 42 3HG2 VAL 42 -6.469 -4.636 9.360 316 H CYS 43 H CYS 43 -3.064 -2.453 6.773 317 HA CYS 43 HA CYS 43 -1.743 -0.323 8.024 318 HB2 CYS 43 2HB CYS 43 -0.908 -1.707 5.459 319 HB3 CYS 43 3HB CYS 43 0.093 -0.852 6.639 320 H VAL 44 H VAL 44 -2.829 -0.472 4.571 321 HA VAL 44 HA VAL 44 -1.946 2.062 3.823 322 HB VAL 44 HB VAL 44 -4.375 0.432 2.995 323 HG11 VAL 44 1HG1 VAL 44 -3.400 3.048 1.801 324 HG12 VAL 44 2HG1 VAL 44 -4.519 1.903 1.005 325 HG13 VAL 44 3HG1 VAL 44 -5.010 2.725 2.487 326 HG21 VAL 44 1HG2 VAL 44 -2.034 -0.342 2.478 327 HG22 VAL 44 2HG2 VAL 44 -2.975 0.020 1.014 328 HG23 VAL 44 3HG2 VAL 44 -1.762 1.176 1.611 329 H ASP 45 H ASP 45 -5.122 1.161 5.321 330 HA ASP 45 HA ASP 45 -5.891 3.972 5.528 331 HB2 ASP 45 2HB ASP 45 -7.369 1.977 4.871 332 HB3 ASP 45 3HB ASP 45 -7.349 1.514 6.574 333 H GLN 46 H GLN 46 -3.569 3.414 6.940 334 HA GLN 46 HA GLN 46 -4.306 4.105 9.708 335 HB2 GLN 46 2HB GLN 46 -4.005 1.622 9.635 336 HB3 GLN 46 3HB GLN 46 -2.402 1.848 8.938 337 HG2 GLN 46 2HG GLN 46 -1.889 3.238 11.086 338 HG3 GLN 46 3HG GLN 46 -3.355 2.486 11.734 339 HE21 GLN 46 1HE2 GLN 46 0.041 2.069 11.179 340 HE22 GLN 46 2HE2 GLN 46 0.076 0.349 11.545 341 H ARG 47 H ARG 47 -1.499 3.339 7.533 342 HA ARG 47 HA ARG 47 0.080 5.502 8.606 343 HB2 ARG 47 2HB ARG 47 1.108 3.512 7.647 344 HB3 ARG 47 3HB ARG 47 0.448 3.929 6.052 345 HG2 ARG 47 2HG ARG 47 1.732 6.100 6.155 346 HG3 ARG 47 3HG ARG 47 2.445 5.567 7.686 347 HD2 ARG 47 2HD ARG 47 3.636 3.789 6.598 348 HD3 ARG 47 3HD ARG 47 2.686 3.987 5.099 349 HE ARG 47 HE ARG 47 3.966 6.426 5.688 350 HH11 ARG 47 1HH1 ARG 47 6.806 5.933 3.681 351 HH12 ARG 47 2HH1 ARG 47 5.816 7.094 4.483 352 HH21 ARG 47 1HH2 ARG 47 6.256 3.606 3.808 353 HH22 ARG 47 2HH2 ARG 47 4.880 3.133 4.704 354 H LEU 48 H LEU 48 -2.014 5.184 5.646 355 HA LEU 48 HA LEU 48 -1.201 7.899 4.817 356 HB2 LEU 48 2HB LEU 48 -3.103 5.864 3.584 357 HB3 LEU 48 3HB LEU 48 -2.799 7.458 2.932 358 HG LEU 48 HG LEU 48 -1.560 5.868 1.681 359 HD11 LEU 48 1HD1 LEU 48 -0.543 8.113 2.086 360 HD12 LEU 48 2HD1 LEU 48 0.420 7.409 3.406 361 HD13 LEU 48 3HD1 LEU 48 0.647 6.845 1.742 362 HD21 LEU 48 1HD2 LEU 48 0.096 5.124 4.106 363 HD22 LEU 48 2HD2 LEU 48 -1.267 4.150 3.506 364 HD23 LEU 48 3HD2 LEU 48 0.150 4.430 2.479 365 H ILE 49 H ILE 49 -2.400 7.803 7.394 366 HA ILE 49 HA ILE 49 -5.106 8.842 7.001 367 HB ILE 49 HB ILE 49 -3.340 8.407 9.425 368 HG12 ILE 49 2HG1 ILE 49 -4.467 6.452 8.247 369 HG13 ILE 49 3HG1 ILE 49 -4.843 6.639 9.956 370 HG21 ILE 49 1HG2 ILE 49 -6.106 9.683 9.305 371 HG22 ILE 49 2HG2 ILE 49 -5.365 9.024 10.781 372 HG23 ILE 49 3HG2 ILE 49 -4.613 10.396 9.953 373 HD11 ILE 49 1HD1 ILE 49 -6.683 7.638 7.736 374 HD12 ILE 49 2HD1 ILE 49 -6.781 6.030 8.462 375 HD13 ILE 49 3HD1 ILE 49 -7.049 7.461 9.469 376 H THR 50 H THR 50 -1.884 10.022 8.147 377 HA THR 50 HA THR 50 -2.788 12.793 7.639 378 HB THR 50 HB THR 50 -0.153 11.917 8.863 379 HG1 THR 50 1HG THR 50 -1.507 10.970 10.222 380 HG21 THR 50 1HG2 THR 50 -1.928 14.368 9.311 381 HG22 THR 50 2HG2 THR 50 -0.394 14.024 10.135 382 HG23 THR 50 3HG2 THR 50 -0.401 14.368 8.400 383 H ASN 51 H ASN 51 -2.235 10.917 5.319 384 HA ASN 51 HA ASN 51 -0.678 12.800 3.806 385 HB2 ASN 51 2HB ASN 51 1.067 11.251 4.984 386 HB3 ASN 51 3HB ASN 51 0.470 9.983 3.908 387 HD21 ASN 51 1HD2 ASN 51 3.082 11.776 4.146 388 HD22 ASN 51 2HD2 ASN 51 3.304 12.267 2.475 389 H LYS 52 H LYS 52 -1.092 12.406 1.496 390 HA LYS 52 HA LYS 52 -2.370 9.991 0.626 391 HB2 LYS 52 2HB LYS 52 -4.084 12.466 1.023 392 HB3 LYS 52 3HB LYS 52 -4.384 11.426 -0.357 393 HG2 LYS 52 2HG LYS 52 -5.650 10.135 0.886 394 HG3 LYS 52 3HG LYS 52 -4.214 9.565 1.695 395 HD2 LYS 52 2HD LYS 52 -4.482 11.347 3.416 396 HD3 LYS 52 3HD LYS 52 -5.938 11.933 2.575 397 HE2 LYS 52 2HE LYS 52 -7.126 9.897 2.970 398 HE3 LYS 52 3HE LYS 52 -5.635 9.024 3.375 399 HZ1 LYS 52 1HZ LYS 52 -6.903 9.531 5.331 400 HZ2 LYS 52 2HZ LYS 52 -5.436 10.253 5.347 401 HZ3 LYS 52 3HZ LYS 52 -6.775 11.161 5.055 402 H LYS 53 H LYS 53 -0.117 10.521 -0.324 403 HA LYS 53 HA LYS 53 -0.744 11.322 -3.031 404 HB2 LYS 53 2HB LYS 53 1.580 12.666 -1.597 405 HB3 LYS 53 3HB LYS 53 1.437 12.534 -3.358 406 HG2 LYS 53 2HG LYS 53 -0.852 13.652 -3.157 407 HG3 LYS 53 3HG LYS 53 -0.411 14.036 -1.476 408 HD2 LYS 53 2HD LYS 53 1.699 15.122 -2.400 409 HD3 LYS 53 3HD LYS 53 1.030 14.904 -4.023 410 HE2 LYS 53 2HE LYS 53 -0.217 16.495 -1.735 411 HE3 LYS 53 3HE LYS 53 0.606 17.177 -3.143 412 HZ1 LYS 53 1HZ LYS 53 -1.777 17.227 -3.405 413 HZ2 LYS 53 2HZ LYS 53 -1.128 16.223 -4.535 414 HZ3 LYS 53 3HZ LYS 53 -1.894 15.601 -3.217 415 H CYS 54 H CYS 54 0.940 10.312 -4.601 416 HA CYS 54 HA CYS 54 2.022 7.803 -3.354 417 HB2 CYS 54 2HB CYS 54 0.244 8.006 -5.338 418 HB3 CYS 54 3HB CYS 54 1.636 8.410 -6.253 419 HA PRO 55 HA PRO 55 5.787 10.029 -3.866 420 HB2 PRO 55 2HB PRO 55 7.665 8.048 -3.406 421 HB3 PRO 55 3HB PRO 55 6.649 8.789 -2.137 422 HG2 PRO 55 2HG PRO 55 6.170 6.173 -3.591 423 HG3 PRO 55 3HG PRO 55 6.051 6.513 -1.840 424 HD2 PRO 55 2HD PRO 55 3.866 6.473 -3.468 425 HD3 PRO 55 3HD PRO 55 3.990 7.620 -2.098 426 H ILE 56 H ILE 56 6.779 6.879 -5.341 427 HA ILE 56 HA ILE 56 7.661 8.441 -7.668 428 HB ILE 56 HB ILE 56 8.001 5.493 -6.962 429 HG12 ILE 56 2HG1 ILE 56 9.214 6.902 -5.380 430 HG13 ILE 56 3HG1 ILE 56 10.327 6.070 -6.450 431 HG21 ILE 56 1HG2 ILE 56 9.905 5.658 -8.690 432 HG22 ILE 56 2HG2 ILE 56 8.269 5.569 -9.323 433 HG23 ILE 56 3HG2 ILE 56 9.099 7.133 -9.275 434 HD11 ILE 56 1HD1 ILE 56 9.523 9.008 -6.591 435 HD12 ILE 56 2HD1 ILE 56 11.104 8.333 -6.170 436 HD13 ILE 56 3HD1 ILE 56 10.510 8.193 -7.829 437 H CYS 57 H CYS 57 5.220 8.902 -7.740 438 HA CYS 57 HA CYS 57 3.864 7.416 -9.978 439 HB2 CYS 57 2HB CYS 57 3.208 7.432 -7.070 440 HB3 CYS 57 3HB CYS 57 1.868 7.539 -8.273 441 H ARG 58 H ARG 58 3.501 9.758 -7.265 442 HA ARG 58 HA ARG 58 3.041 11.904 -7.136 443 HB2 ARG 58 2HB ARG 58 4.824 11.944 -9.003 444 HB3 ARG 58 3HB ARG 58 3.484 12.271 -10.113 445 HG2 ARG 58 2HG ARG 58 2.854 14.244 -8.633 446 HG3 ARG 58 3HG ARG 58 4.299 13.887 -7.659 447 HD2 ARG 58 2HD ARG 58 5.632 14.041 -9.844 448 HD3 ARG 58 3HD ARG 58 4.164 14.726 -10.577 449 HE ARG 58 HE ARG 58 4.728 16.137 -8.191 450 HH11 ARG 58 1HH1 ARG 58 6.853 18.604 -9.556 451 HH12 ARG 58 2HH1 ARG 58 5.920 18.140 -8.182 452 HH21 ARG 58 1HH2 ARG 58 6.955 17.167 -11.453 453 HH22 ARG 58 2HH2 ARG 58 6.066 15.685 -11.414 454 H VAL 59 H VAL 59 0.861 10.690 -6.825 455 HA VAL 59 HA VAL 59 -1.105 12.329 -8.240 456 HB VAL 59 HB VAL 59 -0.685 9.885 -9.242 457 HG11 VAL 59 1HG1 VAL 59 -1.175 8.783 -7.049 458 HG12 VAL 59 2HG1 VAL 59 -2.875 9.262 -7.253 459 HG13 VAL 59 3HG1 VAL 59 -2.123 8.186 -8.435 460 HG21 VAL 59 1HG2 VAL 59 -2.294 11.521 -10.131 461 HG22 VAL 59 2HG2 VAL 59 -2.992 9.893 -10.100 462 HG23 VAL 59 3HG2 VAL 59 -3.468 11.078 -8.869 463 H ASP 60 H ASP 60 -3.291 12.097 -6.996 464 HA ASP 60 HA ASP 60 -2.758 12.154 -4.118 465 HB2 ASP 60 2HB ASP 60 -5.055 13.012 -4.000 466 HB3 ASP 60 3HB ASP 60 -4.038 13.970 -5.065 467 H ILE 61 H ILE 61 -3.500 10.608 -2.673 468 HA ILE 61 HA ILE 61 -4.342 8.056 -3.832 469 HB ILE 61 HB ILE 61 -3.581 8.867 -0.994 470 HG12 ILE 61 2HG1 ILE 61 -1.706 9.393 -2.352 471 HG13 ILE 61 3HG1 ILE 61 -1.343 7.887 -1.518 472 HG21 ILE 61 1HG2 ILE 61 -4.657 6.734 -0.968 473 HG22 ILE 61 2HG2 ILE 61 -3.692 6.147 -2.341 474 HG23 ILE 61 3HG2 ILE 61 -2.913 6.492 -0.771 475 HD11 ILE 61 1HD1 ILE 61 -2.362 6.851 -3.783 476 HD12 ILE 61 2HD1 ILE 61 -1.929 8.448 -4.400 477 HD13 ILE 61 3HD1 ILE 61 -0.693 7.382 -3.626 478 H GLU 62 H GLU 62 -5.695 10.745 -2.176 479 HA GLU 62 HA GLU 62 -7.781 9.402 -0.730 480 HB2 GLU 62 2HB GLU 62 -8.645 11.620 -0.374 481 HB3 GLU 62 3HB GLU 62 -6.908 11.645 -0.145 482 HG2 GLU 62 2HG GLU 62 -6.696 12.532 -2.518 483 HG3 GLU 62 3HG GLU 62 -8.458 12.714 -2.530 484 H ALA 63 H ALA 63 -10.194 10.013 -1.266 485 HA ALA 63 HA ALA 63 -10.809 10.254 -4.063 486 HB1 ALA 63 1HB ALA 63 -11.364 7.617 -2.607 487 HB2 ALA 63 2HB ALA 63 -12.005 8.070 -4.204 488 HB3 ALA 63 3HB ALA 63 -10.259 7.832 -3.985 489 H GLN 64 H GLN 64 -13.233 10.422 -4.265 490 HA GLN 64 HA GLN 64 -14.296 11.743 -1.920 491 HB2 GLN 64 2HB GLN 64 -14.777 12.341 -4.339 492 HB3 GLN 64 3HB GLN 64 -15.791 10.900 -4.452 493 HG2 GLN 64 2HG GLN 64 -16.182 13.169 -2.437 494 HG3 GLN 64 3HG GLN 64 -16.999 13.077 -3.997 495 HE21 GLN 64 1HE2 GLN 64 -17.487 12.424 -0.717 496 HE22 GLN 64 2HE2 GLN 64 -18.734 11.211 -0.954 497 H LEU 65 H LEU 65 -15.171 10.690 -0.202 498 HA LEU 65 HA LEU 65 -16.840 8.315 -0.610 499 HB2 LEU 65 2HB LEU 65 -14.759 7.272 -0.281 500 HB3 LEU 65 3HB LEU 65 -14.223 8.428 0.928 501 HG LEU 65 HG LEU 65 -16.644 6.755 1.590 502 HD11 LEU 65 1HD1 LEU 65 -13.775 5.727 1.613 503 HD12 LEU 65 2HD1 LEU 65 -15.167 4.917 2.367 504 HD13 LEU 65 3HD1 LEU 65 -15.109 5.111 0.607 505 HD21 LEU 65 1HD2 LEU 65 -14.184 7.690 3.161 506 HD22 LEU 65 2HD2 LEU 65 -15.805 8.396 3.266 507 HD23 LEU 65 3HD2 LEU 65 -15.527 6.750 3.835 508 HA PRO 66 HA PRO 66 -18.713 10.927 2.604 509 HB2 PRO 66 2HB PRO 66 -21.097 9.652 2.869 510 HB3 PRO 66 3HB PRO 66 -20.712 10.612 1.405 511 HG2 PRO 66 2HG PRO 66 -20.525 7.606 1.766 512 HG3 PRO 66 3HG PRO 66 -21.243 8.517 0.404 513 HD2 PRO 66 2HD PRO 66 -18.670 7.498 0.390 514 HD3 PRO 66 3HD PRO 66 -19.140 8.965 -0.523 515 H SER 67 H SER 67 -18.438 10.693 4.807 516 HA SER 67 HA SER 67 -19.116 8.557 6.372 517 HB2 SER 67 2HB SER 67 -17.296 7.192 5.308 518 HB3 SER 67 3HB SER 67 -16.117 8.403 5.846 519 HG SER 67 HG SER 67 -17.196 7.897 8.027 520 H GLU 68 H GLU 68 -16.716 11.104 5.819 521 HA GLU 68 HA GLU 68 -15.536 12.422 7.274 522 HB2 GLU 68 2HB GLU 68 -16.960 14.268 7.926 523 HB3 GLU 68 3HB GLU 68 -17.297 13.663 6.313 524 HG2 GLU 68 2HG GLU 68 -19.188 12.257 7.713 525 HG3 GLU 68 3HG GLU 68 -19.049 13.688 8.734 526 H SER 69 H SER 69 -14.715 10.674 8.641 527 HA SER 69 HA SER 69 -15.365 11.084 11.433 528 HB2 SER 69 2HB SER 69 -16.896 9.223 10.661 529 HB3 SER 69 3HB SER 69 -15.457 8.332 10.118 530 HG SER 69 HG SER 69 -14.703 8.670 12.353 Start of MODEL 30 1 H1 MET 1 H1 MET 1 14.545 -26.288 19.120 2 H2 MET 1 H2 MET 1 15.166 -27.688 19.755 3 H3 MET 1 H3 MET 1 14.732 -27.605 18.162 4 HA MET 1 HA MET 1 13.050 -28.803 19.355 5 HB2 MET 1 2HB MET 1 12.977 -26.236 21.005 6 HB3 MET 1 3HB MET 1 11.695 -27.458 21.028 7 HG2 MET 1 2HG MET 1 14.610 -27.974 21.730 8 HG3 MET 1 3HG MET 1 13.317 -27.724 22.899 9 HE1 MET 1 1HE MET 1 10.912 -29.263 22.459 10 HE2 MET 1 2HE MET 1 11.304 -30.916 22.983 11 HE3 MET 1 3HE MET 1 11.922 -29.527 23.899 12 H LYS 2 H LYS 2 11.324 -28.830 17.976 13 HA LYS 2 HA LYS 2 10.157 -28.133 16.087 14 HB2 LYS 2 2HB LYS 2 8.804 -28.408 18.095 15 HB3 LYS 2 3HB LYS 2 8.989 -26.715 18.516 16 HG2 LYS 2 2HG LYS 2 7.888 -27.300 15.775 17 HG3 LYS 2 3HG LYS 2 6.897 -27.821 17.130 18 HD2 LYS 2 2HD LYS 2 7.689 -25.145 17.750 19 HD3 LYS 2 3HD LYS 2 7.217 -25.141 16.055 20 HE2 LYS 2 2HE LYS 2 5.565 -26.287 18.352 21 HE3 LYS 2 3HE LYS 2 5.356 -24.666 17.677 22 HZ1 LYS 2 1HZ LYS 2 5.013 -27.177 16.165 23 HZ2 LYS 2 2HZ LYS 2 3.794 -26.235 16.742 24 HZ3 LYS 2 3HZ LYS 2 4.794 -25.658 15.570 25 H GLN 3 H GLN 3 11.984 -26.861 15.012 26 HA GLN 3 HA GLN 3 10.998 -24.164 14.453 27 HB2 GLN 3 2HB GLN 3 12.477 -23.810 16.413 28 HB3 GLN 3 3HB GLN 3 13.806 -24.625 15.572 29 HG2 GLN 3 2HG GLN 3 13.920 -22.871 13.908 30 HG3 GLN 3 3HG GLN 3 12.372 -22.190 14.432 31 HE21 GLN 3 1HE2 GLN 3 12.594 -20.331 15.658 32 HE22 GLN 3 2HE2 GLN 3 13.975 -20.033 16.705 33 H ASP 4 H ASP 4 10.433 -25.185 12.573 34 HA ASP 4 HA ASP 4 12.607 -25.300 10.622 35 HB2 ASP 4 2HB ASP 4 10.489 -27.456 11.075 36 HB3 ASP 4 3HB ASP 4 11.432 -27.282 9.589 37 H GLY 5 H GLY 5 11.893 -24.147 8.924 38 HA2 GLY 5 2HA GLY 5 8.988 -23.578 8.568 39 HA3 GLY 5 3HA GLY 5 10.183 -22.260 8.517 40 H GLU 6 H GLU 6 9.687 -21.813 6.198 41 HA GLU 6 HA GLU 6 11.112 -23.642 4.444 42 HB2 GLU 6 2HB GLU 6 9.324 -23.656 2.784 43 HB3 GLU 6 3HB GLU 6 8.801 -24.431 4.281 44 HG2 GLU 6 2HG GLU 6 7.612 -22.307 4.926 45 HG3 GLU 6 3HG GLU 6 8.066 -21.616 3.361 46 H GLU 7 H GLU 7 11.623 -22.528 2.401 47 HA GLU 7 HA GLU 7 11.395 -19.630 2.324 48 HB2 GLU 7 2HB GLU 7 14.061 -21.088 2.654 49 HB3 GLU 7 3HB GLU 7 13.926 -19.486 1.918 50 HG2 GLU 7 2HG GLU 7 12.819 -18.648 4.004 51 HG3 GLU 7 3HG GLU 7 13.153 -20.213 4.767 52 H GLY 8 H GLY 8 12.726 -18.993 0.154 53 HA2 GLY 8 2HA GLY 8 12.892 -21.010 -1.871 54 HA3 GLY 8 3HA GLY 8 11.374 -20.088 -1.995 55 H THR 9 H THR 9 11.910 -18.837 -3.880 56 HA THR 9 HA THR 9 13.660 -16.612 -3.405 57 HB THR 9 HB THR 9 15.303 -18.327 -4.076 58 HG1 THR 9 1HG THR 9 16.241 -17.103 -5.672 59 HG21 THR 9 1HG2 THR 9 15.317 -19.243 -6.349 60 HG22 THR 9 2HG2 THR 9 13.849 -19.742 -5.492 61 HG23 THR 9 3HG2 THR 9 13.771 -18.447 -6.706 62 H GLU 10 H GLU 10 13.755 -15.535 -5.835 63 HA GLU 10 HA GLU 10 12.639 -14.406 -7.429 64 HB2 GLU 10 2HB GLU 10 12.483 -16.739 -8.268 65 HB3 GLU 10 3HB GLU 10 10.827 -16.831 -7.653 66 HG2 GLU 10 2HG GLU 10 10.138 -14.989 -9.114 67 HG3 GLU 10 3HG GLU 10 11.815 -14.695 -9.592 68 H GLU 11 H GLU 11 12.031 -12.784 -5.824 69 HA GLU 11 HA GLU 11 9.163 -12.307 -5.992 70 HB2 GLU 11 2HB GLU 11 9.488 -13.561 -3.793 71 HB3 GLU 11 3HB GLU 11 10.645 -12.309 -3.326 72 HG2 GLU 11 2HG GLU 11 8.653 -10.641 -3.843 73 HG3 GLU 11 3HG GLU 11 7.642 -12.082 -3.789 74 H ASP 12 H ASP 12 8.981 -10.077 -6.462 75 HA ASP 12 HA ASP 12 10.704 -8.250 -5.050 76 HB2 ASP 12 2HB ASP 12 12.071 -8.593 -7.102 77 HB3 ASP 12 3HB ASP 12 10.682 -8.107 -8.091 78 H THR 13 H THR 13 9.527 -6.512 -4.583 79 HA THR 13 HA THR 13 7.467 -5.714 -3.843 80 HB THR 13 HB THR 13 8.683 -4.226 -5.350 81 HG1 THR 13 1HG THR 13 5.874 -4.054 -5.400 82 HG21 THR 13 1HG2 THR 13 6.748 -5.169 -7.505 83 HG22 THR 13 2HG2 THR 13 7.761 -3.710 -7.591 84 HG23 THR 13 3HG2 THR 13 8.521 -5.304 -7.517 85 H GLU 14 H GLU 14 6.883 -8.532 -5.114 86 HA GLU 14 HA GLU 14 4.417 -8.378 -6.400 87 HB2 GLU 14 2HB GLU 14 5.955 -10.471 -4.930 88 HB3 GLU 14 3HB GLU 14 4.217 -10.720 -4.921 89 HG2 GLU 14 2HG GLU 14 4.905 -11.900 -6.777 90 HG3 GLU 14 3HG GLU 14 4.170 -10.432 -7.417 91 H GLU 15 H GLU 15 4.655 -9.502 -3.013 92 HA GLU 15 HA GLU 15 2.150 -7.974 -2.368 93 HB2 GLU 15 2HB GLU 15 2.579 -10.985 -2.185 94 HB3 GLU 15 3HB GLU 15 1.300 -10.110 -1.318 95 HG2 GLU 15 2HG GLU 15 0.430 -9.236 -3.466 96 HG3 GLU 15 3HG GLU 15 1.636 -10.196 -4.338 97 H LYS 16 H LYS 16 4.183 -6.844 -1.419 98 HA LYS 16 HA LYS 16 4.676 -7.979 1.298 99 HB2 LYS 16 2HB LYS 16 6.547 -6.165 -0.277 100 HB3 LYS 16 3HB LYS 16 6.822 -6.915 1.310 101 HG2 LYS 16 2HG LYS 16 6.354 -9.166 0.029 102 HG3 LYS 16 3HG LYS 16 6.662 -8.241 -1.422 103 HD2 LYS 16 2HD LYS 16 8.788 -7.814 0.600 104 HD3 LYS 16 3HD LYS 16 8.560 -9.523 0.202 105 HE2 LYS 16 2HE LYS 16 8.568 -8.896 -2.216 106 HE3 LYS 16 3HE LYS 16 9.142 -7.277 -1.729 107 HZ1 LYS 16 1HZ LYS 16 10.462 -9.844 -1.093 108 HZ2 LYS 16 2HZ LYS 16 10.909 -8.914 -2.348 109 HZ3 LYS 16 3HZ LYS 16 11.090 -8.352 -0.796 110 H CYS 17 H CYS 17 3.700 -6.863 2.859 111 HA CYS 17 HA CYS 17 2.522 -4.147 2.522 112 HB2 CYS 17 2HB CYS 17 1.522 -5.894 3.955 113 HB3 CYS 17 3HB CYS 17 2.999 -5.977 4.893 114 H THR 18 H THR 18 4.204 -2.722 1.973 115 HA THR 18 HA THR 18 6.700 -2.847 3.549 116 HB THR 18 HB THR 18 7.214 -0.904 1.888 117 HG1 THR 18 1HG THR 18 5.835 -1.291 -0.037 118 HG21 THR 18 1HG2 THR 18 7.750 -2.539 0.106 119 HG22 THR 18 2HG2 THR 18 8.128 -3.216 1.697 120 HG23 THR 18 3HG2 THR 18 6.658 -3.728 0.842 121 H ILE 19 H ILE 19 3.845 -2.059 4.495 122 HA ILE 19 HA ILE 19 4.379 0.619 5.585 123 HB ILE 19 HB ILE 19 1.931 -1.149 5.673 124 HG12 ILE 19 2HG1 ILE 19 2.883 1.202 3.993 125 HG13 ILE 19 3HG1 ILE 19 2.296 -0.403 3.484 126 HG21 ILE 19 1HG2 ILE 19 2.592 1.575 6.826 127 HG22 ILE 19 2HG2 ILE 19 0.932 1.017 6.630 128 HG23 ILE 19 3HG2 ILE 19 2.036 0.165 7.709 129 HD11 ILE 19 1HD1 ILE 19 0.110 0.110 4.178 130 HD12 ILE 19 2HD1 ILE 19 0.632 1.776 4.654 131 HD13 ILE 19 3HD1 ILE 19 0.718 1.251 2.958 132 H CYS 20 H CYS 20 3.317 -2.649 6.631 133 HA CYS 20 HA CYS 20 4.310 -2.404 9.415 134 HB2 CYS 20 2HB CYS 20 3.339 -4.692 9.522 135 HB3 CYS 20 3HB CYS 20 2.181 -3.414 9.144 136 H LEU 21 H LEU 21 5.548 -3.381 6.342 137 HA LEU 21 HA LEU 21 7.498 -4.253 5.706 138 HB2 LEU 21 2HB LEU 21 8.453 -3.983 8.583 139 HB3 LEU 21 3HB LEU 21 9.430 -4.312 7.164 140 HG LEU 21 HG LEU 21 8.109 -2.002 6.379 141 HD11 LEU 21 1HD1 LEU 21 8.343 -0.393 8.230 142 HD12 LEU 21 2HD1 LEU 21 7.192 -1.658 8.674 143 HD13 LEU 21 3HD1 LEU 21 8.836 -1.699 9.332 144 HD21 LEU 21 1HD2 LEU 21 10.506 -2.494 6.096 145 HD22 LEU 21 2HD2 LEU 21 10.274 -0.885 6.799 146 HD23 LEU 21 3HD2 LEU 21 10.776 -2.240 7.836 147 H SER 22 H SER 22 5.590 -6.001 5.763 148 HA SER 22 HA SER 22 7.055 -8.458 6.384 149 HB2 SER 22 2HB SER 22 4.750 -9.376 7.336 150 HB3 SER 22 3HB SER 22 5.954 -8.622 8.387 151 HG SER 22 HG SER 22 3.893 -7.090 7.202 152 H ILE 23 H ILE 23 6.389 -10.224 5.141 153 HA ILE 23 HA ILE 23 4.986 -9.473 2.689 154 HB ILE 23 HB ILE 23 6.288 -12.075 3.618 155 HG12 ILE 23 2HG1 ILE 23 7.867 -11.312 1.654 156 HG13 ILE 23 3HG1 ILE 23 7.177 -9.713 1.943 157 HG21 ILE 23 1HG2 ILE 23 6.191 -12.696 1.219 158 HG22 ILE 23 2HG2 ILE 23 4.594 -12.529 1.909 159 HG23 ILE 23 3HG2 ILE 23 5.253 -11.228 0.877 160 HD11 ILE 23 1HD1 ILE 23 8.227 -9.597 4.116 161 HD12 ILE 23 2HD1 ILE 23 8.727 -11.310 3.998 162 HD13 ILE 23 3HD1 ILE 23 9.405 -10.081 2.900 163 H LEU 24 H LEU 24 3.187 -10.658 1.931 164 HA LEU 24 HA LEU 24 1.207 -11.027 4.092 165 HB2 LEU 24 2HB LEU 24 1.037 -10.497 1.085 166 HB3 LEU 24 3HB LEU 24 -0.367 -10.658 2.152 167 HG LEU 24 HG LEU 24 1.865 -8.570 2.385 168 HD11 LEU 24 1HD1 LEU 24 0.186 -7.045 1.503 169 HD12 LEU 24 2HD1 LEU 24 0.480 -8.405 0.391 170 HD13 LEU 24 3HD1 LEU 24 -0.992 -8.389 1.386 171 HD21 LEU 24 1HD2 LEU 24 0.088 -7.522 3.944 172 HD22 LEU 24 2HD2 LEU 24 -0.639 -9.127 3.996 173 HD23 LEU 24 3HD2 LEU 24 1.027 -8.895 4.567 174 H GLU 25 H GLU 25 0.993 -12.427 0.867 175 HA GLU 25 HA GLU 25 0.895 -14.505 0.062 176 HB2 GLU 25 2HB GLU 25 2.789 -15.875 0.380 177 HB3 GLU 25 3HB GLU 25 3.296 -14.192 0.397 178 HG2 GLU 25 2HG GLU 25 3.468 -14.278 2.890 179 HG3 GLU 25 3HG GLU 25 3.001 -15.981 2.856 180 H GLU 26 H GLU 26 -0.937 -14.037 2.205 181 HA GLU 26 HA GLU 26 -1.735 -16.810 2.631 182 HB2 GLU 26 2HB GLU 26 -0.401 -15.769 4.712 183 HB3 GLU 26 3HB GLU 26 -1.937 -14.962 5.015 184 HG2 GLU 26 2HG GLU 26 -2.528 -17.720 4.429 185 HG3 GLU 26 3HG GLU 26 -1.117 -17.737 5.480 186 H GLY 27 H GLY 27 -4.052 -15.974 4.238 187 HA2 GLY 27 2HA GLY 27 -5.646 -14.766 2.089 188 HA3 GLY 27 3HA GLY 27 -6.214 -15.348 3.666 189 H GLU 28 H GLU 28 -3.707 -12.877 2.778 190 HA GLU 28 HA GLU 28 -4.965 -10.977 4.666 191 HB2 GLU 28 2HB GLU 28 -2.386 -11.107 3.067 192 HB3 GLU 28 3HB GLU 28 -2.908 -9.595 3.813 193 HG2 GLU 28 2HG GLU 28 -2.682 -12.151 5.456 194 HG3 GLU 28 3HG GLU 28 -1.275 -11.131 5.134 195 H ASP 29 H ASP 29 -5.567 -8.828 3.899 196 HA ASP 29 HA ASP 29 -6.718 -8.978 1.162 197 HB2 ASP 29 2HB ASP 29 -8.258 -8.707 3.094 198 HB3 ASP 29 3HB ASP 29 -7.448 -7.192 3.512 199 H VAL 30 H VAL 30 -6.746 -6.914 -0.109 200 HA VAL 30 HA VAL 30 -4.430 -5.146 0.442 201 HB VAL 30 HB VAL 30 -3.453 -6.910 -0.762 202 HG11 VAL 30 1HG1 VAL 30 -4.185 -7.653 -3.018 203 HG12 VAL 30 2HG1 VAL 30 -5.480 -7.912 -1.848 204 HG13 VAL 30 3HG1 VAL 30 -5.553 -6.522 -2.950 205 HG21 VAL 30 1HG2 VAL 30 -3.777 -4.637 -2.719 206 HG22 VAL 30 2HG2 VAL 30 -2.555 -4.816 -1.426 207 HG23 VAL 30 3HG2 VAL 30 -2.570 -5.926 -2.782 208 H ARG 31 H ARG 31 -4.396 -3.342 -0.832 209 HA ARG 31 HA ARG 31 -6.756 -2.804 -2.503 210 HB2 ARG 31 2HB ARG 31 -6.929 -1.859 0.078 211 HB3 ARG 31 3HB ARG 31 -6.207 -0.466 -0.744 212 HG2 ARG 31 2HG ARG 31 -8.016 -0.779 -2.543 213 HG3 ARG 31 3HG ARG 31 -8.769 -1.955 -1.450 214 HD2 ARG 31 2HD ARG 31 -8.846 -0.170 0.323 215 HD3 ARG 31 3HD ARG 31 -8.257 0.999 -0.863 216 HE ARG 31 HE ARG 31 -10.919 -0.042 -0.548 217 HH11 ARG 31 1HH1 ARG 31 -12.208 1.405 -3.486 218 HH12 ARG 31 2HH1 ARG 31 -12.595 0.656 -1.985 219 HH21 ARG 31 1HH2 ARG 31 -9.932 1.725 -4.089 220 HH22 ARG 31 2HH2 ARG 31 -8.697 1.198 -3.004 221 H ARG 32 H ARG 32 -5.693 -2.470 -4.382 222 HA ARG 32 HA ARG 32 -3.161 -1.032 -4.457 223 HB2 ARG 32 2HB ARG 32 -3.404 -1.059 -6.887 224 HB3 ARG 32 3HB ARG 32 -3.666 -2.659 -6.193 225 HG2 ARG 32 2HG ARG 32 -5.437 -2.685 -7.574 226 HG3 ARG 32 3HG ARG 32 -6.255 -1.817 -6.280 227 HD2 ARG 32 2HD ARG 32 -5.467 0.342 -7.456 228 HD3 ARG 32 3HD ARG 32 -5.010 -0.671 -8.820 229 HE ARG 32 HE ARG 32 -7.628 0.183 -7.983 230 HH11 ARG 32 1HH1 ARG 32 -9.406 -1.816 -10.283 231 HH12 ARG 32 2HH1 ARG 32 -9.500 -0.484 -9.192 232 HH21 ARG 32 1HH2 ARG 32 -7.349 -2.964 -10.570 233 HH22 ARG 32 2HH2 ARG 32 -5.968 -2.428 -9.681 234 H LEU 33 H LEU 33 -2.881 1.110 -4.528 235 HA LEU 33 HA LEU 33 -4.967 2.987 -4.182 236 HB2 LEU 33 2HB LEU 33 -2.183 3.447 -5.338 237 HB3 LEU 33 3HB LEU 33 -3.160 4.594 -4.437 238 HG LEU 33 HG LEU 33 -1.624 2.186 -3.434 239 HD11 LEU 33 1HD1 LEU 33 -0.687 4.635 -3.762 240 HD12 LEU 33 2HD1 LEU 33 -1.503 4.919 -2.220 241 HD13 LEU 33 3HD1 LEU 33 -0.275 3.668 -2.341 242 HD21 LEU 33 1HD2 LEU 33 -3.741 3.725 -1.889 243 HD22 LEU 33 2HD2 LEU 33 -3.671 1.981 -2.189 244 HD23 LEU 33 3HD2 LEU 33 -2.464 2.742 -1.150 245 HA PRO 34 HA PRO 34 -5.958 3.823 -8.566 246 HB2 PRO 34 2HB PRO 34 -6.185 6.566 -8.526 247 HB3 PRO 34 3HB PRO 34 -7.433 5.470 -7.856 248 HG2 PRO 34 2HG PRO 34 -5.190 6.864 -6.339 249 HG3 PRO 34 3HG PRO 34 -6.936 6.842 -5.936 250 HD2 PRO 34 2HD PRO 34 -5.243 5.139 -4.750 251 HD3 PRO 34 3HD PRO 34 -6.844 4.560 -5.286 252 H CYS 35 H CYS 35 -3.305 5.075 -6.761 253 HA CYS 35 HA CYS 35 -1.737 6.483 -8.832 254 HB2 CYS 35 2HB CYS 35 -2.064 7.174 -6.488 255 HB3 CYS 35 3HB CYS 35 -1.413 5.612 -5.937 256 H MET 36 H MET 36 -2.439 3.443 -9.068 257 HA MET 36 HA MET 36 -1.546 1.416 -8.965 258 HB2 MET 36 2HB MET 36 0.257 2.900 -10.909 259 HB3 MET 36 3HB MET 36 0.351 1.143 -10.676 260 HG2 MET 36 2HG MET 36 -2.100 0.980 -11.119 261 HG3 MET 36 3HG MET 36 -2.114 2.691 -11.554 262 HE1 MET 36 1HE MET 36 -0.123 2.787 -14.886 263 HE2 MET 36 2HE MET 36 -1.217 3.659 -13.790 264 HE3 MET 36 3HE MET 36 0.423 3.220 -13.251 265 H HIS 37 H HIS 37 -1.045 1.370 -6.774 266 HA HIS 37 HA HIS 37 1.762 0.800 -6.216 267 HB2 HIS 37 1HB HIS 37 0.343 3.285 -5.344 268 HB3 HIS 37 2HB HIS 37 1.058 2.363 -4.030 269 HD2 HIS 37 2HD HIS 37 3.676 1.868 -4.084 270 HE1 HIS 37 1HE HIS 37 4.729 5.172 -6.551 271 HE2 HIS 37 2HE HIS 37 5.624 3.388 -4.952 272 H LEU 38 H LEU 38 1.777 -0.818 -4.413 273 HA LEU 38 HA LEU 38 -0.937 -1.967 -3.936 274 HB2 LEU 38 2HB LEU 38 0.322 -3.398 -5.355 275 HB3 LEU 38 3HB LEU 38 1.802 -3.197 -4.425 276 HG LEU 38 HG LEU 38 -0.479 -4.380 -2.891 277 HD11 LEU 38 1HD1 LEU 38 -0.841 -5.483 -5.036 278 HD12 LEU 38 2HD1 LEU 38 0.884 -5.912 -5.126 279 HD13 LEU 38 3HD1 LEU 38 -0.141 -6.616 -3.865 280 HD21 LEU 38 1HD2 LEU 38 1.253 -5.814 -2.002 281 HD22 LEU 38 2HD2 LEU 38 2.405 -5.282 -3.245 282 HD23 LEU 38 3HD2 LEU 38 1.872 -4.158 -1.980 283 H PHE 39 H PHE 39 -1.558 -2.307 -1.777 284 HA PHE 39 HA PHE 39 0.494 -2.531 0.257 285 HB2 PHE 39 2HB PHE 39 -1.439 -0.185 0.146 286 HB3 PHE 39 3HB PHE 39 -0.637 -0.715 1.629 287 HD1 PHE 39 1HD PHE 39 -0.412 1.642 -0.950 288 HD2 PHE 39 2HD PHE 39 2.026 -1.040 1.365 289 HE1 PHE 39 1HE PHE 39 1.580 3.114 -1.311 290 HE2 PHE 39 2HE PHE 39 3.972 0.465 1.060 291 HZ PHE 39 HZ PHE 39 3.755 2.524 -0.301 292 H HIS 40 H HIS 40 -0.330 -3.344 2.162 293 HA HIS 40 HA HIS 40 -2.450 -5.196 2.261 294 HB2 HIS 40 1HB HIS 40 -0.337 -4.714 3.700 295 HB3 HIS 40 2HB HIS 40 -1.288 -3.521 4.529 296 HD2 HIS 40 2HD HIS 40 -3.514 -6.500 4.106 297 HE1 HIS 40 1HE HIS 40 -1.392 -7.232 7.711 298 HE2 HIS 40 2HE HIS 40 -3.334 -7.945 6.289 299 H GLN 41 H GLN 41 -4.717 -4.855 2.587 300 HA GLN 41 HA GLN 41 -5.801 -2.304 2.285 301 HB2 GLN 41 2HB GLN 41 -6.984 -4.383 1.795 302 HB3 GLN 41 3HB GLN 41 -7.088 -4.783 3.507 303 HG2 GLN 41 2HG GLN 41 -8.253 -2.218 2.337 304 HG3 GLN 41 3HG GLN 41 -9.156 -3.728 2.347 305 HE21 GLN 41 1HE2 GLN 41 -10.009 -1.299 3.703 306 HE22 GLN 41 2HE2 GLN 41 -9.980 -1.673 5.417 307 H VAL 42 H VAL 42 -5.135 -4.064 5.328 308 HA VAL 42 HA VAL 42 -6.356 -2.068 6.981 309 HB VAL 42 HB VAL 42 -4.171 -4.096 7.635 310 HG11 VAL 42 1HG1 VAL 42 -6.054 -2.524 9.454 311 HG12 VAL 42 2HG1 VAL 42 -4.988 -3.847 9.977 312 HG13 VAL 42 3HG1 VAL 42 -4.289 -2.340 9.366 313 HG21 VAL 42 1HG2 VAL 42 -6.084 -5.429 8.539 314 HG22 VAL 42 2HG2 VAL 42 -7.210 -4.217 7.890 315 HG23 VAL 42 3HG2 VAL 42 -6.217 -5.191 6.794 316 H CYS 43 H CYS 43 -2.858 -2.623 6.104 317 HA CYS 43 HA CYS 43 -2.043 -0.469 7.873 318 HB2 CYS 43 2HB CYS 43 -0.477 -1.852 5.687 319 HB3 CYS 43 3HB CYS 43 0.128 -0.957 7.092 320 H VAL 44 H VAL 44 -2.525 -0.587 4.289 321 HA VAL 44 HA VAL 44 -1.627 1.976 3.732 322 HB VAL 44 HB VAL 44 -2.511 0.402 2.050 323 HG11 VAL 44 1HG1 VAL 44 -4.620 -0.228 3.192 324 HG12 VAL 44 2HG1 VAL 44 -5.303 1.353 2.766 325 HG13 VAL 44 3HG1 VAL 44 -4.824 0.209 1.496 326 HG21 VAL 44 1HG2 VAL 44 -2.123 2.707 1.391 327 HG22 VAL 44 2HG2 VAL 44 -3.610 2.108 0.613 328 HG23 VAL 44 3HG2 VAL 44 -3.722 3.193 2.002 329 H ASP 45 H ASP 45 -4.765 1.005 5.238 330 HA ASP 45 HA ASP 45 -5.656 3.777 5.436 331 HB2 ASP 45 2HB ASP 45 -7.071 1.707 4.913 332 HB3 ASP 45 3HB ASP 45 -6.878 1.232 6.603 333 H GLN 46 H GLN 46 -3.220 3.395 6.705 334 HA GLN 46 HA GLN 46 -3.810 4.206 9.449 335 HB2 GLN 46 2HB GLN 46 -3.514 1.714 9.532 336 HB3 GLN 46 3HB GLN 46 -1.921 1.888 8.801 337 HG2 GLN 46 2HG GLN 46 -1.230 3.314 10.760 338 HG3 GLN 46 3HG GLN 46 -2.787 2.932 11.517 339 HE21 GLN 46 1HE2 GLN 46 -3.247 0.317 11.293 340 HE22 GLN 46 2HE2 GLN 46 -1.862 -0.628 11.827 341 H ARG 47 H ARG 47 -1.081 3.224 7.276 342 HA ARG 47 HA ARG 47 0.542 5.456 8.115 343 HB2 ARG 47 2HB ARG 47 1.329 3.256 7.191 344 HB3 ARG 47 3HB ARG 47 0.877 3.831 5.579 345 HG2 ARG 47 2HG ARG 47 2.441 5.864 6.112 346 HG3 ARG 47 3HG ARG 47 3.006 4.884 7.478 347 HD2 ARG 47 2HD ARG 47 3.301 3.031 5.549 348 HD3 ARG 47 3HD ARG 47 3.301 4.428 4.506 349 HE ARG 47 HE ARG 47 5.344 5.120 5.354 350 HH11 ARG 47 1HH1 ARG 47 7.669 3.033 6.982 351 HH12 ARG 47 2HH1 ARG 47 7.483 4.408 5.955 352 HH21 ARG 47 1HH2 ARG 47 5.758 1.710 7.600 353 HH22 ARG 47 2HH2 ARG 47 4.227 2.429 7.341 354 H LEU 48 H LEU 48 -1.675 4.913 5.306 355 HA LEU 48 HA LEU 48 -0.874 7.540 4.238 356 HB2 LEU 48 2HB LEU 48 -2.628 5.330 3.096 357 HB3 LEU 48 3HB LEU 48 -2.459 6.894 2.363 358 HG LEU 48 HG LEU 48 -1.091 5.238 1.256 359 HD11 LEU 48 1HD1 LEU 48 0.651 7.296 2.668 360 HD12 LEU 48 2HD1 LEU 48 0.971 6.507 1.109 361 HD13 LEU 48 3HD1 LEU 48 -0.400 7.621 1.273 362 HD21 LEU 48 1HD2 LEU 48 0.797 4.150 2.190 363 HD22 LEU 48 2HD2 LEU 48 0.717 5.100 3.682 364 HD23 LEU 48 3HD2 LEU 48 -0.529 3.877 3.334 365 H ILE 49 H ILE 49 -1.996 7.803 6.688 366 HA ILE 49 HA ILE 49 -4.759 8.742 6.141 367 HB ILE 49 HB ILE 49 -3.245 8.203 8.729 368 HG12 ILE 49 2HG1 ILE 49 -4.158 6.209 7.549 369 HG13 ILE 49 3HG1 ILE 49 -4.820 6.470 9.159 370 HG21 ILE 49 1HG2 ILE 49 -5.414 8.766 9.888 371 HG22 ILE 49 2HG2 ILE 49 -4.571 10.155 9.194 372 HG23 ILE 49 3HG2 ILE 49 -5.986 9.475 8.367 373 HD11 ILE 49 1HD1 ILE 49 -6.230 7.139 6.539 374 HD12 ILE 49 2HD1 ILE 49 -6.552 5.753 7.591 375 HD13 ILE 49 3HD1 ILE 49 -6.902 7.383 8.173 376 H THR 50 H THR 50 -1.919 9.828 8.121 377 HA THR 50 HA THR 50 -2.307 12.548 7.794 378 HB THR 50 HB THR 50 0.408 11.186 7.879 379 HG1 THR 50 1HG THR 50 -0.005 11.007 10.134 380 HG21 THR 50 1HG2 THR 50 0.962 13.062 9.387 381 HG22 THR 50 2HG2 THR 50 0.367 13.679 7.836 382 HG23 THR 50 3HG2 THR 50 -0.701 13.676 9.256 383 H ASN 51 H ASN 51 -0.840 10.191 5.555 384 HA ASN 51 HA ASN 51 -0.091 12.423 3.708 385 HB2 ASN 51 2HB ASN 51 1.825 11.130 4.848 386 HB3 ASN 51 3HB ASN 51 1.304 9.725 3.908 387 HD21 ASN 51 1HD2 ASN 51 2.036 9.609 1.688 388 HD22 ASN 51 2HD2 ASN 51 2.855 10.960 0.947 389 H LYS 52 H LYS 52 -0.842 12.129 1.513 390 HA LYS 52 HA LYS 52 -2.154 9.577 0.863 391 HB2 LYS 52 2HB LYS 52 -4.226 10.886 0.194 392 HB3 LYS 52 3HB LYS 52 -4.020 10.558 1.901 393 HG2 LYS 52 2HG LYS 52 -2.928 13.187 0.941 394 HG3 LYS 52 3HG LYS 52 -4.686 12.997 0.906 395 HD2 LYS 52 2HD LYS 52 -4.776 12.425 3.252 396 HD3 LYS 52 3HD LYS 52 -3.011 12.379 3.373 397 HE2 LYS 52 2HE LYS 52 -2.936 14.804 2.749 398 HE3 LYS 52 3HE LYS 52 -4.711 14.827 2.766 399 HZ1 LYS 52 1HZ LYS 52 -3.820 15.556 4.874 400 HZ2 LYS 52 2HZ LYS 52 -4.592 14.109 5.091 401 HZ3 LYS 52 3HZ LYS 52 -2.954 14.168 5.050 402 H LYS 53 H LYS 53 -0.066 9.878 -0.386 403 HA LYS 53 HA LYS 53 -0.705 10.799 -2.988 404 HB2 LYS 53 2HB LYS 53 1.091 12.351 -3.400 405 HB3 LYS 53 3HB LYS 53 0.019 12.994 -2.157 406 HG2 LYS 53 2HG LYS 53 1.631 12.439 -0.399 407 HG3 LYS 53 3HG LYS 53 2.669 11.588 -1.559 408 HD2 LYS 53 2HD LYS 53 2.941 13.717 -2.839 409 HD3 LYS 53 3HD LYS 53 2.068 14.564 -1.535 410 HE2 LYS 53 2HE LYS 53 3.760 13.792 0.100 411 HE3 LYS 53 3HE LYS 53 4.581 12.866 -1.170 412 HZ1 LYS 53 1HZ LYS 53 5.047 14.935 -2.302 413 HZ2 LYS 53 2HZ LYS 53 4.299 15.801 -1.115 414 HZ3 LYS 53 3HZ LYS 53 5.671 14.958 -0.781 415 H CYS 54 H CYS 54 0.919 9.829 -4.544 416 HA CYS 54 HA CYS 54 2.753 7.749 -3.431 417 HB2 CYS 54 2HB CYS 54 2.688 9.084 -6.152 418 HB3 CYS 54 3HB CYS 54 3.587 7.642 -5.708 419 HA PRO 55 HA PRO 55 6.312 10.656 -3.962 420 HB2 PRO 55 2HB PRO 55 8.231 8.846 -4.630 421 HB3 PRO 55 3HB PRO 55 7.713 9.074 -2.929 422 HG2 PRO 55 2HG PRO 55 6.834 6.922 -4.878 423 HG3 PRO 55 3HG PRO 55 7.332 6.736 -3.169 424 HD2 PRO 55 2HD PRO 55 4.706 6.893 -3.984 425 HD3 PRO 55 3HD PRO 55 5.252 7.479 -2.389 426 H ILE 56 H ILE 56 6.334 11.677 -5.916 427 HA ILE 56 HA ILE 56 6.743 12.085 -8.043 428 HB ILE 56 HB ILE 56 7.293 9.134 -8.431 429 HG12 ILE 56 2HG1 ILE 56 9.376 11.313 -8.073 430 HG13 ILE 56 3HG1 ILE 56 8.659 10.595 -6.638 431 HG21 ILE 56 1HG2 ILE 56 6.973 10.279 -10.574 432 HG22 ILE 56 2HG2 ILE 56 8.028 11.608 -10.062 433 HG23 ILE 56 3HG2 ILE 56 8.695 9.987 -10.332 434 HD11 ILE 56 1HD1 ILE 56 9.324 8.346 -7.348 435 HD12 ILE 56 2HD1 ILE 56 10.086 9.019 -8.808 436 HD13 ILE 56 3HD1 ILE 56 10.716 9.435 -7.202 437 H CYS 57 H CYS 57 4.462 9.204 -7.923 438 HA CYS 57 HA CYS 57 3.169 9.698 -10.383 439 HB2 CYS 57 2HB CYS 57 1.495 9.108 -7.976 440 HB3 CYS 57 3HB CYS 57 1.329 8.532 -9.611 441 H ARG 58 H ARG 58 2.830 11.415 -7.332 442 HA ARG 58 HA ARG 58 1.945 13.414 -6.727 443 HB2 ARG 58 2HB ARG 58 3.091 14.062 -9.034 444 HB3 ARG 58 3HB ARG 58 1.417 14.216 -9.580 445 HG2 ARG 58 2HG ARG 58 1.188 15.672 -7.324 446 HG3 ARG 58 3HG ARG 58 2.939 15.811 -7.521 447 HD2 ARG 58 2HD ARG 58 2.528 16.621 -9.882 448 HD3 ARG 58 3HD ARG 58 0.784 16.564 -9.534 449 HE ARG 58 HE ARG 58 2.269 18.098 -7.587 450 HH11 ARG 58 1HH1 ARG 58 1.279 21.227 -8.873 451 HH12 ARG 58 2HH1 ARG 58 2.021 20.411 -7.549 452 HH21 ARG 58 1HH2 ARG 58 0.518 19.987 -10.750 453 HH22 ARG 58 2HH2 ARG 58 0.732 18.272 -10.754 454 H VAL 59 H VAL 59 0.208 10.964 -7.717 455 HA VAL 59 HA VAL 59 -2.402 12.273 -8.037 456 HB VAL 59 HB VAL 59 -1.386 9.399 -7.908 457 HG11 VAL 59 1HG1 VAL 59 -3.712 8.740 -8.606 458 HG12 VAL 59 2HG1 VAL 59 -3.647 9.379 -6.961 459 HG13 VAL 59 3HG1 VAL 59 -4.251 10.403 -8.282 460 HG21 VAL 59 1HG2 VAL 59 -2.604 11.054 -10.163 461 HG22 VAL 59 2HG2 VAL 59 -0.895 10.608 -10.009 462 HG23 VAL 59 3HG2 VAL 59 -2.108 9.353 -10.280 463 H ASP 60 H ASP 60 -3.688 12.732 -6.270 464 HA ASP 60 HA ASP 60 -2.836 12.069 -3.604 465 HB2 ASP 60 2HB ASP 60 -5.489 13.108 -4.687 466 HB3 ASP 60 3HB ASP 60 -5.068 12.977 -2.971 467 H ILE 61 H ILE 61 -3.408 10.280 -2.415 468 HA ILE 61 HA ILE 61 -4.505 8.018 -3.868 469 HB ILE 61 HB ILE 61 -3.560 8.324 -0.984 470 HG12 ILE 61 2HG1 ILE 61 -1.744 9.027 -2.287 471 HG13 ILE 61 3HG1 ILE 61 -1.381 7.383 -1.796 472 HG21 ILE 61 1HG2 ILE 61 -3.749 5.853 -2.738 473 HG22 ILE 61 2HG2 ILE 61 -3.054 5.972 -1.086 474 HG23 ILE 61 3HG2 ILE 61 -4.781 6.251 -1.353 475 HD11 ILE 61 1HD1 ILE 61 -2.366 8.387 -4.488 476 HD12 ILE 61 2HD1 ILE 61 -0.777 7.704 -4.097 477 HD13 ILE 61 3HD1 ILE 61 -2.217 6.665 -4.071 478 H GLU 62 H GLU 62 -5.453 10.164 -1.259 479 HA GLU 62 HA GLU 62 -7.917 8.637 -0.667 480 HB2 GLU 62 2HB GLU 62 -6.579 9.490 1.208 481 HB3 GLU 62 3HB GLU 62 -6.686 11.139 0.596 482 HG2 GLU 62 2HG GLU 62 -9.202 9.546 1.198 483 HG3 GLU 62 3HG GLU 62 -8.287 10.291 2.510 484 H ALA 63 H ALA 63 -9.781 9.221 -1.678 485 HA ALA 63 HA ALA 63 -10.256 11.947 -2.497 486 HB1 ALA 63 1HB ALA 63 -10.114 9.745 -4.619 487 HB2 ALA 63 2HB ALA 63 -10.715 11.399 -4.879 488 HB3 ALA 63 3HB ALA 63 -9.006 11.129 -4.483 489 H GLN 64 H GLN 64 -11.492 10.694 -0.501 490 HA GLN 64 HA GLN 64 -14.166 10.135 -1.545 491 HB2 GLN 64 2HB GLN 64 -13.091 7.886 -1.483 492 HB3 GLN 64 3HB GLN 64 -12.704 8.123 0.230 493 HG2 GLN 64 2HG GLN 64 -15.138 8.324 0.738 494 HG3 GLN 64 3HG GLN 64 -15.509 8.101 -0.979 495 HE21 GLN 64 1HE2 GLN 64 -15.347 6.477 1.965 496 HE22 GLN 64 2HE2 GLN 64 -15.129 4.859 1.315 497 H LEU 65 H LEU 65 -15.632 10.999 -0.158 498 HA LEU 65 HA LEU 65 -14.899 12.911 1.672 499 HB2 LEU 65 2HB LEU 65 -17.280 11.920 0.564 500 HB3 LEU 65 3HB LEU 65 -17.542 11.739 2.288 501 HG LEU 65 HG LEU 65 -16.589 14.322 0.980 502 HD11 LEU 65 1HD1 LEU 65 -18.932 15.080 1.163 503 HD12 LEU 65 2HD1 LEU 65 -18.796 13.677 0.092 504 HD13 LEU 65 3HD1 LEU 65 -19.414 13.470 1.745 505 HD21 LEU 65 1HD2 LEU 65 -16.146 14.152 3.430 506 HD22 LEU 65 2HD2 LEU 65 -17.385 15.364 3.075 507 HD23 LEU 65 3HD2 LEU 65 -17.851 13.771 3.709 508 HA PRO 66 HA PRO 66 -13.790 10.098 5.045 509 HB2 PRO 66 2HB PRO 66 -12.478 11.854 6.676 510 HB3 PRO 66 3HB PRO 66 -11.763 11.253 5.146 511 HG2 PRO 66 2HG PRO 66 -13.265 13.855 5.592 512 HG3 PRO 66 3HG PRO 66 -11.668 13.624 4.805 513 HD2 PRO 66 2HD PRO 66 -13.956 13.822 3.360 514 HD3 PRO 66 3HD PRO 66 -12.655 12.697 2.871 515 H SER 67 H SER 67 -14.408 9.920 7.381 516 HA SER 67 HA SER 67 -16.437 11.806 8.368 517 HB2 SER 67 2HB SER 67 -17.787 10.524 6.821 518 HB3 SER 67 3HB SER 67 -17.087 8.996 7.385 519 HG SER 67 HG SER 67 -18.053 9.322 9.371 520 H GLU 68 H GLU 68 -14.985 11.978 10.119 521 HA GLU 68 HA GLU 68 -13.771 11.468 11.942 522 HB2 GLU 68 2HB GLU 68 -15.956 9.405 12.338 523 HB3 GLU 68 3HB GLU 68 -14.622 9.654 13.477 524 HG2 GLU 68 2HG GLU 68 -15.208 12.051 13.671 525 HG3 GLU 68 3HG GLU 68 -16.553 11.824 12.548 526 H SER 69 H SER 69 -11.880 11.062 10.740 527 HA SER 69 HA SER 69 -10.923 8.336 10.812 528 HB2 SER 69 2HB SER 69 -10.917 9.860 8.180 529 HB3 SER 69 3HB SER 69 -10.494 8.164 8.470 530 HG SER 69 HG SER 69 -12.865 8.156 9.265 Start of MODEL 31 1 H1 MET 1 H1 MET 1 19.897 -33.210 -10.776 2 H2 MET 1 H2 MET 1 19.760 -31.965 -11.860 3 H3 MET 1 H3 MET 1 21.048 -32.048 -10.827 4 HA MET 1 HA MET 1 19.522 -30.394 -10.045 5 HB2 MET 1 2HB MET 1 17.583 -32.755 -9.951 6 HB3 MET 1 3HB MET 1 17.327 -31.202 -9.145 7 HG2 MET 1 2HG MET 1 16.108 -31.066 -11.143 8 HG3 MET 1 3HG MET 1 17.541 -30.069 -11.386 9 HE1 MET 1 1HE MET 1 17.543 -30.350 -14.536 10 HE2 MET 1 2HE MET 1 16.179 -31.476 -14.709 11 HE3 MET 1 3HE MET 1 16.116 -30.188 -13.487 12 H LYS 2 H LYS 2 19.145 -30.158 -7.670 13 HA LYS 2 HA LYS 2 19.528 -32.355 -5.916 14 HB2 LYS 2 2HB LYS 2 21.628 -30.135 -6.073 15 HB3 LYS 2 3HB LYS 2 21.240 -30.941 -4.566 16 HG2 LYS 2 2HG LYS 2 21.649 -33.097 -6.315 17 HG3 LYS 2 3HG LYS 2 22.861 -31.908 -6.815 18 HD2 LYS 2 2HD LYS 2 23.851 -33.302 -5.124 19 HD3 LYS 2 3HD LYS 2 23.517 -31.735 -4.348 20 HE2 LYS 2 2HE LYS 2 21.348 -32.689 -3.489 21 HE3 LYS 2 3HE LYS 2 21.770 -34.245 -4.222 22 HZ1 LYS 2 1HZ LYS 2 22.316 -34.195 -1.899 23 HZ2 LYS 2 2HZ LYS 2 23.710 -34.294 -2.768 24 HZ3 LYS 2 3HZ LYS 2 23.256 -32.860 -2.084 25 H GLN 3 H GLN 3 18.855 -31.528 -3.713 26 HA GLN 3 HA GLN 3 16.748 -29.534 -4.152 27 HB2 GLN 3 2HB GLN 3 16.329 -31.718 -3.130 28 HB3 GLN 3 3HB GLN 3 17.454 -31.354 -1.818 29 HG2 GLN 3 2HG GLN 3 15.126 -31.029 -1.088 30 HG3 GLN 3 3HG GLN 3 15.985 -29.491 -1.059 31 HE21 GLN 3 1HE2 GLN 3 14.495 -27.883 -1.646 32 HE22 GLN 3 2HE2 GLN 3 13.404 -28.062 -3.009 33 H ASP 4 H ASP 4 18.473 -27.842 -4.499 34 HA ASP 4 HA ASP 4 19.195 -26.530 -1.938 35 HB2 ASP 4 2HB ASP 4 21.079 -27.227 -4.241 36 HB3 ASP 4 3HB ASP 4 21.432 -26.017 -3.004 37 H GLY 5 H GLY 5 17.879 -24.689 -2.244 38 HA2 GLY 5 2HA GLY 5 18.270 -22.602 -3.862 39 HA3 GLY 5 3HA GLY 5 17.419 -23.715 -4.958 40 H GLU 6 H GLU 6 15.570 -22.281 -5.015 41 HA GLU 6 HA GLU 6 13.687 -22.844 -2.887 42 HB2 GLU 6 2HB GLU 6 14.645 -20.616 -2.268 43 HB3 GLU 6 3HB GLU 6 14.306 -20.017 -3.891 44 HG2 GLU 6 2HG GLU 6 12.648 -19.211 -2.286 45 HG3 GLU 6 3HG GLU 6 11.882 -20.227 -3.496 46 H GLU 7 H GLU 7 11.444 -22.533 -3.846 47 HA GLU 7 HA GLU 7 11.419 -22.118 -6.763 48 HB2 GLU 7 2HB GLU 7 10.978 -24.699 -5.487 49 HB3 GLU 7 3HB GLU 7 9.467 -24.149 -6.206 50 HG2 GLU 7 2HG GLU 7 12.127 -24.231 -7.696 51 HG3 GLU 7 3HG GLU 7 10.941 -25.539 -7.707 52 H GLY 8 H GLY 8 9.382 -21.199 -7.456 53 HA2 GLY 8 2HA GLY 8 7.418 -20.390 -5.485 54 HA3 GLY 8 3HA GLY 8 8.674 -19.158 -5.712 55 H THR 9 H THR 9 7.616 -17.558 -6.930 56 HA THR 9 HA THR 9 6.895 -18.184 -9.626 57 HB THR 9 HB THR 9 4.923 -19.095 -8.526 58 HG1 THR 9 1HG THR 9 4.492 -18.202 -10.438 59 HG21 THR 9 1HG2 THR 9 3.341 -17.609 -7.324 60 HG22 THR 9 2HG2 THR 9 4.851 -17.904 -6.443 61 HG23 THR 9 3HG2 THR 9 4.589 -16.351 -7.258 62 H GLU 10 H GLU 10 5.021 -15.717 -9.348 63 HA GLU 10 HA GLU 10 6.755 -13.712 -10.165 64 HB2 GLU 10 2HB GLU 10 4.114 -14.012 -10.157 65 HB3 GLU 10 3HB GLU 10 4.196 -13.177 -8.612 66 HG2 GLU 10 2HG GLU 10 3.741 -11.549 -10.319 67 HG3 GLU 10 3HG GLU 10 5.415 -11.288 -9.808 68 H GLU 11 H GLU 11 7.826 -11.940 -9.106 69 HA GLU 11 HA GLU 11 7.473 -11.517 -6.286 70 HB2 GLU 11 2HB GLU 11 9.388 -13.454 -6.890 71 HB3 GLU 11 3HB GLU 11 10.362 -11.995 -6.837 72 HG2 GLU 11 2HG GLU 11 8.500 -12.987 -4.629 73 HG3 GLU 11 3HG GLU 11 10.244 -13.211 -4.673 74 H ASP 12 H ASP 12 8.527 -9.619 -5.683 75 HA ASP 12 HA ASP 12 10.012 -7.861 -5.802 76 HB2 ASP 12 2HB ASP 12 10.924 -8.403 -8.056 77 HB3 ASP 12 3HB ASP 12 9.529 -7.560 -8.777 78 H THR 13 H THR 13 8.840 -6.464 -4.687 79 HA THR 13 HA THR 13 6.977 -5.402 -3.866 80 HB THR 13 HB THR 13 6.732 -4.454 -6.734 81 HG1 THR 13 1HG THR 13 8.939 -4.462 -6.170 82 HG21 THR 13 1HG2 THR 13 5.263 -3.544 -4.676 83 HG22 THR 13 2HG2 THR 13 6.760 -2.688 -4.280 84 HG23 THR 13 3HG2 THR 13 5.977 -2.433 -5.854 85 H GLU 14 H GLU 14 6.383 -8.183 -4.816 86 HA GLU 14 HA GLU 14 3.804 -8.102 -6.074 87 HB2 GLU 14 2HB GLU 14 5.705 -10.131 -5.121 88 HB3 GLU 14 3HB GLU 14 4.051 -10.593 -4.737 89 HG2 GLU 14 2HG GLU 14 4.978 -9.742 -7.507 90 HG3 GLU 14 3HG GLU 14 4.850 -11.412 -6.953 91 H GLU 15 H GLU 15 4.400 -9.488 -2.748 92 HA GLU 15 HA GLU 15 2.013 -7.923 -1.844 93 HB2 GLU 15 2HB GLU 15 2.484 -10.922 -1.557 94 HB3 GLU 15 3HB GLU 15 1.339 -9.977 -0.591 95 HG2 GLU 15 2HG GLU 15 0.338 -9.184 -2.828 96 HG3 GLU 15 3HG GLU 15 1.206 -10.552 -3.551 97 H LYS 16 H LYS 16 4.049 -6.696 -1.196 98 HA LYS 16 HA LYS 16 5.020 -7.709 1.457 99 HB2 LYS 16 2HB LYS 16 6.650 -6.175 -0.611 100 HB3 LYS 16 3HB LYS 16 7.202 -6.811 0.951 101 HG2 LYS 16 2HG LYS 16 6.421 -9.106 0.099 102 HG3 LYS 16 3HG LYS 16 6.265 -8.407 -1.484 103 HD2 LYS 16 2HD LYS 16 8.892 -8.363 0.056 104 HD3 LYS 16 3HD LYS 16 8.370 -9.723 -0.955 105 HE2 LYS 16 2HE LYS 16 8.052 -8.082 -2.849 106 HE3 LYS 16 3HE LYS 16 8.891 -6.870 -1.850 107 HZ1 LYS 16 1HZ LYS 16 10.777 -8.522 -1.793 108 HZ2 LYS 16 2HZ LYS 16 9.907 -9.505 -2.768 109 HZ3 LYS 16 3HZ LYS 16 10.419 -8.107 -3.353 110 H CYS 17 H CYS 17 4.145 -6.480 2.924 111 HA CYS 17 HA CYS 17 2.851 -3.877 2.585 112 HB2 CYS 17 2HB CYS 17 2.572 -5.958 4.263 113 HB3 CYS 17 3HB CYS 17 3.732 -5.071 5.215 114 H THR 18 H THR 18 4.337 -2.225 1.920 115 HA THR 18 HA THR 18 6.858 -2.099 3.504 116 HB THR 18 HB THR 18 7.671 -0.578 1.884 117 HG1 THR 18 1HG THR 18 5.914 0.608 1.451 118 HG21 THR 18 1HG2 THR 18 6.205 -2.721 0.290 119 HG22 THR 18 2HG2 THR 18 7.718 -1.916 -0.123 120 HG23 THR 18 3HG2 THR 18 7.666 -3.040 1.247 121 H ILE 19 H ILE 19 4.014 -1.503 4.503 122 HA ILE 19 HA ILE 19 4.559 1.242 5.489 123 HB ILE 19 HB ILE 19 1.947 -0.236 5.704 124 HG12 ILE 19 2HG1 ILE 19 3.147 1.350 3.416 125 HG13 ILE 19 3HG1 ILE 19 2.178 -0.152 3.378 126 HG21 ILE 19 1HG2 ILE 19 2.453 1.561 7.294 127 HG22 ILE 19 2HG2 ILE 19 2.830 2.645 5.936 128 HG23 ILE 19 3HG2 ILE 19 1.167 2.033 6.196 129 HD11 ILE 19 1HD1 ILE 19 1.166 2.576 4.034 130 HD12 ILE 19 2HD1 ILE 19 0.969 1.716 2.505 131 HD13 ILE 19 3HD1 ILE 19 0.222 1.049 3.973 132 H CYS 20 H CYS 20 2.940 -1.790 6.514 133 HA CYS 20 HA CYS 20 3.900 -1.634 9.299 134 HB2 CYS 20 2HB CYS 20 2.650 -4.051 9.012 135 HB3 CYS 20 3HB CYS 20 1.883 -2.546 9.481 136 H LEU 21 H LEU 21 5.668 -2.199 6.698 137 HA LEU 21 HA LEU 21 7.457 -3.480 6.140 138 HB2 LEU 21 2HB LEU 21 7.841 -2.995 9.111 139 HB3 LEU 21 3HB LEU 21 9.132 -3.485 8.014 140 HG LEU 21 HG LEU 21 7.511 -0.925 7.661 141 HD11 LEU 21 1HD1 LEU 21 8.768 -0.851 9.765 142 HD12 LEU 21 2HD1 LEU 21 10.255 -1.333 8.916 143 HD13 LEU 21 3HD1 LEU 21 9.487 0.234 8.566 144 HD21 LEU 21 1HD2 LEU 21 10.121 -1.892 6.411 145 HD22 LEU 21 2HD2 LEU 21 8.563 -1.697 5.572 146 HD23 LEU 21 3HD2 LEU 21 9.408 -0.278 6.193 147 H SER 22 H SER 22 5.740 -5.326 5.870 148 HA SER 22 HA SER 22 7.015 -7.718 6.936 149 HB2 SER 22 2HB SER 22 4.591 -8.543 7.629 150 HB3 SER 22 3HB SER 22 5.609 -7.654 8.768 151 HG SER 22 HG SER 22 4.491 -5.824 8.391 152 H ILE 23 H ILE 23 6.310 -9.635 5.793 153 HA ILE 23 HA ILE 23 5.361 -9.014 3.065 154 HB ILE 23 HB ILE 23 6.226 -11.669 4.254 155 HG12 ILE 23 2HG1 ILE 23 8.157 -10.363 4.642 156 HG13 ILE 23 3HG1 ILE 23 8.452 -11.212 3.136 157 HG21 ILE 23 1HG2 ILE 23 6.769 -12.104 1.803 158 HG22 ILE 23 2HG2 ILE 23 5.067 -11.929 2.214 159 HG23 ILE 23 3HG2 ILE 23 5.892 -10.600 1.434 160 HD11 ILE 23 1HD1 ILE 23 7.759 -8.265 3.491 161 HD12 ILE 23 2HD1 ILE 23 9.232 -8.978 2.824 162 HD13 ILE 23 3HD1 ILE 23 7.710 -9.091 1.924 163 H LEU 24 H LEU 24 3.439 -10.225 2.244 164 HA LEU 24 HA LEU 24 1.492 -10.785 4.406 165 HB2 LEU 24 2HB LEU 24 1.128 -9.563 1.638 166 HB3 LEU 24 3HB LEU 24 -0.141 -9.777 2.828 167 HG LEU 24 HG LEU 24 2.348 -8.114 3.392 168 HD11 LEU 24 1HD1 LEU 24 1.021 -6.180 2.554 169 HD12 LEU 24 2HD1 LEU 24 1.448 -7.373 1.314 170 HD13 LEU 24 3HD1 LEU 24 -0.201 -7.343 1.949 171 HD21 LEU 24 1HD2 LEU 24 0.964 -7.133 5.104 172 HD22 LEU 24 2HD2 LEU 24 -0.485 -7.979 4.503 173 HD23 LEU 24 3HD2 LEU 24 0.845 -8.879 5.256 174 H GLU 25 H GLU 25 1.487 -11.322 0.897 175 HA GLU 25 HA GLU 25 1.141 -13.041 -0.418 176 HB2 GLU 25 2HB GLU 25 1.999 -15.073 1.618 177 HB3 GLU 25 3HB GLU 25 2.310 -14.978 -0.126 178 HG2 GLU 25 2HG GLU 25 3.713 -12.881 0.398 179 HG3 GLU 25 3HG GLU 25 3.592 -13.402 2.094 180 H GLU 26 H GLU 26 0.102 -15.516 -0.328 181 HA GLU 26 HA GLU 26 -2.556 -14.769 -0.351 182 HB2 GLU 26 2HB GLU 26 -3.111 -17.171 -0.654 183 HB3 GLU 26 3HB GLU 26 -1.927 -16.513 -1.760 184 HG2 GLU 26 2HG GLU 26 -0.757 -17.835 0.663 185 HG3 GLU 26 3HG GLU 26 -1.693 -18.892 -0.387 186 H GLY 27 H GLY 27 -3.856 -14.229 1.221 187 HA2 GLY 27 2HA GLY 27 -5.269 -15.587 2.966 188 HA3 GLY 27 3HA GLY 27 -3.726 -15.637 3.842 189 H GLU 28 H GLU 28 -2.807 -12.991 2.941 190 HA GLU 28 HA GLU 28 -4.348 -11.361 4.842 191 HB2 GLU 28 2HB GLU 28 -1.765 -11.211 3.355 192 HB3 GLU 28 3HB GLU 28 -2.518 -9.656 3.684 193 HG2 GLU 28 2HG GLU 28 -2.161 -11.738 5.874 194 HG3 GLU 28 3HG GLU 28 -0.912 -10.552 5.476 195 H ASP 29 H ASP 29 -4.771 -9.041 4.085 196 HA ASP 29 HA ASP 29 -6.440 -9.281 1.622 197 HB2 ASP 29 2HB ASP 29 -7.624 -9.001 3.795 198 HB3 ASP 29 3HB ASP 29 -6.785 -7.463 4.037 199 H VAL 30 H VAL 30 -6.498 -7.559 0.112 200 HA VAL 30 HA VAL 30 -4.066 -5.823 0.208 201 HB VAL 30 HB VAL 30 -3.743 -6.335 -2.209 202 HG11 VAL 30 1HG1 VAL 30 -2.368 -7.372 -0.424 203 HG12 VAL 30 2HG1 VAL 30 -3.500 -8.742 -0.359 204 HG13 VAL 30 3HG1 VAL 30 -2.570 -8.427 -1.831 205 HG21 VAL 30 1HG2 VAL 30 -5.620 -8.691 -1.703 206 HG22 VAL 30 2HG2 VAL 30 -5.985 -7.295 -2.743 207 HG23 VAL 30 3HG2 VAL 30 -4.662 -8.395 -3.161 208 H ARG 31 H ARG 31 -4.266 -3.796 -0.610 209 HA ARG 31 HA ARG 31 -6.765 -3.074 -2.000 210 HB2 ARG 31 2HB ARG 31 -7.108 -2.828 0.401 211 HB3 ARG 31 3HB ARG 31 -5.715 -1.751 0.549 212 HG2 ARG 31 2HG ARG 31 -7.958 -1.126 -1.395 213 HG3 ARG 31 3HG ARG 31 -8.198 -0.814 0.324 214 HD2 ARG 31 2HD ARG 31 -6.743 0.920 0.411 215 HD3 ARG 31 3HD ARG 31 -5.646 0.253 -0.784 216 HE ARG 31 HE ARG 31 -7.198 0.893 -2.552 217 HH11 ARG 31 1HH1 ARG 31 -8.683 4.053 -2.488 218 HH12 ARG 31 2HH1 ARG 31 -8.268 2.672 -3.449 219 HH21 ARG 31 1HH2 ARG 31 -8.212 4.044 -0.170 220 HH22 ARG 31 2HH2 ARG 31 -7.464 2.662 0.535 221 H ARG 32 H ARG 32 -6.090 -2.085 -3.823 222 HA ARG 32 HA ARG 32 -3.427 -0.766 -3.760 223 HB2 ARG 32 2HB ARG 32 -3.449 -0.882 -6.202 224 HB3 ARG 32 3HB ARG 32 -3.568 -2.451 -5.414 225 HG2 ARG 32 2HG ARG 32 -5.127 -2.789 -7.020 226 HG3 ARG 32 3HG ARG 32 -6.204 -2.085 -5.815 227 HD2 ARG 32 2HD ARG 32 -5.897 0.150 -6.915 228 HD3 ARG 32 3HD ARG 32 -4.853 -0.626 -8.121 229 HE ARG 32 HE ARG 32 -7.256 -2.075 -8.049 230 HH11 ARG 32 1HH1 ARG 32 -8.941 -0.300 -10.584 231 HH12 ARG 32 2HH1 ARG 32 -8.874 -1.769 -9.686 232 HH21 ARG 32 1HH2 ARG 32 -7.332 1.421 -10.145 233 HH22 ARG 32 2HH2 ARG 32 -6.153 1.146 -8.904 234 H LEU 33 H LEU 33 -3.120 1.341 -4.218 235 HA LEU 33 HA LEU 33 -5.258 3.230 -4.051 236 HB2 LEU 33 2HB LEU 33 -2.320 3.447 -4.890 237 HB3 LEU 33 3HB LEU 33 -3.331 4.761 -4.324 238 HG LEU 33 HG LEU 33 -2.225 2.413 -2.739 239 HD11 LEU 33 1HD1 LEU 33 -1.989 5.413 -2.398 240 HD12 LEU 33 2HD1 LEU 33 -1.285 4.194 -1.335 241 HD13 LEU 33 3HD1 LEU 33 -0.749 4.324 -3.024 242 HD21 LEU 33 1HD2 LEU 33 -4.535 4.218 -1.979 243 HD22 LEU 33 2HD2 LEU 33 -4.396 2.462 -1.853 244 HD23 LEU 33 3HD2 LEU 33 -3.468 3.499 -0.766 245 HA PRO 34 HA PRO 34 -5.706 3.768 -8.545 246 HB2 PRO 34 2HB PRO 34 -5.940 6.479 -8.844 247 HB3 PRO 34 3HB PRO 34 -7.240 5.457 -8.157 248 HG2 PRO 34 2HG PRO 34 -5.169 7.087 -6.657 249 HG3 PRO 34 3HG PRO 34 -6.940 7.030 -6.387 250 HD2 PRO 34 2HD PRO 34 -5.214 5.556 -4.895 251 HD3 PRO 34 3HD PRO 34 -6.809 4.910 -5.361 252 H CYS 35 H CYS 35 -3.056 4.902 -6.653 253 HA CYS 35 HA CYS 35 -1.445 6.094 -8.889 254 HB2 CYS 35 2HB CYS 35 -1.673 7.199 -6.673 255 HB3 CYS 35 3HB CYS 35 -0.994 5.748 -5.899 256 H MET 36 H MET 36 -2.253 3.238 -8.961 257 HA MET 36 HA MET 36 -1.478 1.131 -8.854 258 HB2 MET 36 2HB MET 36 0.499 2.763 -10.470 259 HB3 MET 36 3HB MET 36 0.800 1.041 -10.259 260 HG2 MET 36 2HG MET 36 -1.976 1.723 -11.061 261 HG3 MET 36 3HG MET 36 -0.733 2.102 -12.253 262 HE1 MET 36 1HE MET 36 0.881 -1.270 -13.163 263 HE2 MET 36 2HE MET 36 0.746 0.468 -13.509 264 HE3 MET 36 3HE MET 36 1.492 -0.086 -11.994 265 H HIS 37 H HIS 37 -1.239 1.191 -6.488 266 HA HIS 37 HA HIS 37 1.525 0.568 -5.686 267 HB2 HIS 37 1HB HIS 37 0.155 3.147 -5.181 268 HB3 HIS 37 2HB HIS 37 0.604 2.321 -3.697 269 HD2 HIS 37 2HD HIS 37 3.191 1.569 -3.408 270 HE1 HIS 37 1HE HIS 37 4.772 4.639 -5.898 271 HE2 HIS 37 2HE HIS 37 5.345 2.887 -4.130 272 H LEU 38 H LEU 38 1.257 -1.360 -4.639 273 HA LEU 38 HA LEU 38 -1.369 -2.196 -3.611 274 HB2 LEU 38 2HB LEU 38 -0.184 -3.858 -4.843 275 HB3 LEU 38 3HB LEU 38 1.344 -3.511 -4.046 276 HG LEU 38 HG LEU 38 -0.782 -4.434 -2.169 277 HD11 LEU 38 1HD1 LEU 38 -1.430 -5.804 -4.047 278 HD12 LEU 38 2HD1 LEU 38 0.259 -6.284 -4.322 279 HD13 LEU 38 3HD1 LEU 38 -0.581 -6.792 -2.845 280 HD21 LEU 38 1HD2 LEU 38 1.035 -5.809 -1.305 281 HD22 LEU 38 2HD2 LEU 38 2.052 -5.399 -2.704 282 HD23 LEU 38 3HD2 LEU 38 1.626 -4.156 -1.517 283 H PHE 39 H PHE 39 -1.897 -2.181 -1.419 284 HA PHE 39 HA PHE 39 0.257 -2.389 0.520 285 HB2 PHE 39 2HB PHE 39 -1.746 -0.107 0.432 286 HB3 PHE 39 3HB PHE 39 -0.787 -0.515 1.866 287 HD1 PHE 39 1HD PHE 39 1.900 -0.873 1.074 288 HD2 PHE 39 2HD PHE 39 -0.989 1.824 -0.638 289 HE1 PHE 39 1HE PHE 39 3.728 0.585 0.284 290 HE2 PHE 39 2HE PHE 39 0.866 3.306 -1.401 291 HZ PHE 39 HZ PHE 39 3.221 2.686 -0.937 292 H HIS 40 H HIS 40 -0.501 -3.517 2.320 293 HA HIS 40 HA HIS 40 -2.827 -5.158 2.136 294 HB2 HIS 40 1HB HIS 40 -1.076 -5.895 3.450 295 HB3 HIS 40 2HB HIS 40 -0.770 -4.342 4.130 296 HD2 HIS 40 2HD HIS 40 -4.007 -6.449 4.547 297 HE1 HIS 40 1HE HIS 40 -1.765 -6.789 8.075 298 HE2 HIS 40 2HE HIS 40 -3.804 -7.521 6.857 299 H GLN 41 H GLN 41 -4.907 -4.961 3.193 300 HA GLN 41 HA GLN 41 -5.964 -2.407 3.335 301 HB2 GLN 41 2HB GLN 41 -6.875 -5.077 3.861 302 HB3 GLN 41 3HB GLN 41 -7.442 -4.087 5.193 303 HG2 GLN 41 2HG GLN 41 -7.802 -2.980 2.416 304 HG3 GLN 41 3HG GLN 41 -8.772 -4.369 2.837 305 HE21 GLN 41 1HE2 GLN 41 -10.325 -4.227 4.544 306 HE22 GLN 41 2HE2 GLN 41 -10.892 -2.638 5.074 307 H VAL 42 H VAL 42 -4.515 -4.199 6.097 308 HA VAL 42 HA VAL 42 -5.155 -2.007 7.903 309 HB VAL 42 HB VAL 42 -3.220 -4.312 8.259 310 HG11 VAL 42 1HG1 VAL 42 -2.704 -2.675 9.917 311 HG12 VAL 42 2HG1 VAL 42 -4.419 -2.317 10.206 312 HG13 VAL 42 3HG1 VAL 42 -3.727 -3.871 10.724 313 HG21 VAL 42 1HG2 VAL 42 -6.146 -4.016 9.073 314 HG22 VAL 42 2HG2 VAL 42 -5.530 -5.122 7.827 315 HG23 VAL 42 3HG2 VAL 42 -5.088 -5.373 9.516 316 H CYS 43 H CYS 43 -2.348 -2.731 5.741 317 HA CYS 43 HA CYS 43 -0.428 -0.924 7.045 318 HB2 CYS 43 2HB CYS 43 -0.833 -2.257 4.343 319 HB3 CYS 43 3HB CYS 43 0.368 -1.050 4.579 320 H VAL 44 H VAL 44 -2.449 -0.711 4.150 321 HA VAL 44 HA VAL 44 -1.777 1.842 3.486 322 HB VAL 44 HB VAL 44 -3.047 0.128 2.125 323 HG11 VAL 44 1HG1 VAL 44 -4.924 -0.279 3.648 324 HG12 VAL 44 2HG1 VAL 44 -5.568 1.340 3.296 325 HG13 VAL 44 3HG1 VAL 44 -5.426 0.118 2.018 326 HG21 VAL 44 1HG2 VAL 44 -4.101 2.978 2.035 327 HG22 VAL 44 2HG2 VAL 44 -2.591 2.391 1.295 328 HG23 VAL 44 3HG2 VAL 44 -4.155 1.787 0.713 329 H ASP 45 H ASP 45 -4.509 0.748 5.584 330 HA ASP 45 HA ASP 45 -5.363 3.461 6.057 331 HB2 ASP 45 2HB ASP 45 -6.783 1.303 5.899 332 HB3 ASP 45 3HB ASP 45 -6.345 1.048 7.593 333 H GLN 46 H GLN 46 -2.678 3.120 6.806 334 HA GLN 46 HA GLN 46 -2.834 3.900 9.656 335 HB2 GLN 46 2HB GLN 46 -2.107 1.456 9.396 336 HB3 GLN 46 3HB GLN 46 -0.713 2.033 8.475 337 HG2 GLN 46 2HG GLN 46 -0.085 3.438 10.513 338 HG3 GLN 46 3HG GLN 46 -1.324 2.535 11.402 339 HE21 GLN 46 1HE2 GLN 46 -1.091 -0.063 10.802 340 HE22 GLN 46 2HE2 GLN 46 0.573 -0.607 11.000 341 H ARG 47 H ARG 47 -0.752 3.672 6.712 342 HA ARG 47 HA ARG 47 0.549 6.219 7.509 343 HB2 ARG 47 2HB ARG 47 1.932 4.489 6.626 344 HB3 ARG 47 3HB ARG 47 0.934 4.361 5.160 345 HG2 ARG 47 2HG ARG 47 1.650 6.645 4.489 346 HG3 ARG 47 3HG ARG 47 2.648 6.748 5.959 347 HD2 ARG 47 2HD ARG 47 3.915 4.746 5.235 348 HD3 ARG 47 3HD ARG 47 2.928 4.614 3.780 349 HE ARG 47 HE ARG 47 5.144 6.398 4.311 350 HH11 ARG 47 1HH1 ARG 47 4.957 7.961 1.163 351 HH12 ARG 47 2HH1 ARG 47 5.921 7.709 2.573 352 HH21 ARG 47 1HH2 ARG 47 2.789 6.984 1.023 353 HH22 ARG 47 2HH2 ARG 47 2.264 5.965 2.314 354 H LEU 48 H LEU 48 -1.773 5.055 4.955 355 HA LEU 48 HA LEU 48 -1.480 7.582 3.540 356 HB2 LEU 48 2HB LEU 48 -3.376 5.232 3.166 357 HB3 LEU 48 3HB LEU 48 -3.444 6.687 2.206 358 HG LEU 48 HG LEU 48 -2.278 4.867 1.062 359 HD11 LEU 48 1HD1 LEU 48 -1.764 7.241 0.542 360 HD12 LEU 48 2HD1 LEU 48 -0.392 7.181 1.666 361 HD13 LEU 48 3HD1 LEU 48 -0.406 6.152 0.221 362 HD21 LEU 48 1HD2 LEU 48 -1.150 3.876 3.096 363 HD22 LEU 48 2HD2 LEU 48 -0.120 4.050 1.666 364 HD23 LEU 48 3HD2 LEU 48 0.027 5.201 3.010 365 H ILE 49 H ILE 49 -3.522 6.303 6.113 366 HA ILE 49 HA ILE 49 -5.603 8.144 5.971 367 HB ILE 49 HB ILE 49 -5.707 7.889 8.504 368 HG12 ILE 49 2HG1 ILE 49 -3.618 5.772 8.207 369 HG13 ILE 49 3HG1 ILE 49 -3.126 7.420 8.616 370 HG21 ILE 49 1HG2 ILE 49 -6.977 6.442 7.015 371 HG22 ILE 49 2HG2 ILE 49 -5.559 5.438 6.716 372 HG23 ILE 49 3HG2 ILE 49 -6.314 5.453 8.319 373 HD11 ILE 49 1HD1 ILE 49 -5.075 5.725 10.224 374 HD12 ILE 49 2HD1 ILE 49 -3.401 6.122 10.657 375 HD13 ILE 49 3HD1 ILE 49 -4.617 7.408 10.581 376 H THR 50 H THR 50 -2.246 8.658 6.954 377 HA THR 50 HA THR 50 -2.880 11.492 7.605 378 HB THR 50 HB THR 50 -0.505 9.827 8.524 379 HG1 THR 50 1HG THR 50 -1.674 9.442 10.355 380 HG21 THR 50 1HG2 THR 50 -1.737 12.444 9.521 381 HG22 THR 50 2HG2 THR 50 -0.445 11.553 10.355 382 HG23 THR 50 3HG2 THR 50 -0.141 12.258 8.762 383 H ASN 51 H ASN 51 -2.745 10.593 4.935 384 HA ASN 51 HA ASN 51 -0.640 12.334 4.002 385 HB2 ASN 51 2HB ASN 51 0.089 9.675 4.176 386 HB3 ASN 51 3HB ASN 51 -0.619 9.701 2.565 387 HD21 ASN 51 1HD2 ASN 51 2.207 10.127 4.274 388 HD22 ASN 51 2HD2 ASN 51 3.086 11.132 3.142 389 H LYS 52 H LYS 52 -0.943 12.008 1.302 390 HA LYS 52 HA LYS 52 -3.416 10.868 0.503 391 HB2 LYS 52 2HB LYS 52 -3.668 13.595 1.456 392 HB3 LYS 52 3HB LYS 52 -4.012 13.605 -0.263 393 HG2 LYS 52 2HG LYS 52 -5.728 11.989 -0.077 394 HG3 LYS 52 3HG LYS 52 -5.220 11.461 1.512 395 HD2 LYS 52 2HD LYS 52 -5.769 14.006 2.171 396 HD3 LYS 52 3HD LYS 52 -6.883 13.838 0.794 397 HE2 LYS 52 2HE LYS 52 -7.845 11.798 1.832 398 HE3 LYS 52 3HE LYS 52 -6.643 11.877 3.126 399 HZ1 LYS 52 1HZ LYS 52 -7.629 13.952 3.852 400 HZ2 LYS 52 2HZ LYS 52 -8.771 13.882 2.668 401 HZ3 LYS 52 3HZ LYS 52 -8.742 12.751 3.855 402 H LYS 53 H LYS 53 -0.838 10.436 -0.350 403 HA LYS 53 HA LYS 53 -0.863 11.271 -3.081 404 HB2 LYS 53 2HB LYS 53 1.130 12.596 -3.186 405 HB3 LYS 53 3HB LYS 53 0.024 13.371 -2.071 406 HG2 LYS 53 2HG LYS 53 1.516 13.264 -0.385 407 HG3 LYS 53 3HG LYS 53 1.745 11.525 -0.595 408 HD2 LYS 53 2HD LYS 53 3.289 12.027 -2.534 409 HD3 LYS 53 3HD LYS 53 3.215 13.734 -2.083 410 HE2 LYS 53 2HE LYS 53 4.120 11.416 -0.313 411 HE3 LYS 53 3HE LYS 53 5.196 12.555 -1.134 412 HZ1 LYS 53 1HZ LYS 53 4.854 13.187 1.152 413 HZ2 LYS 53 2HZ LYS 53 4.192 14.325 0.173 414 HZ3 LYS 53 3HZ LYS 53 3.215 13.245 0.948 415 H CYS 54 H CYS 54 1.555 10.612 -3.991 416 HA CYS 54 HA CYS 54 2.007 7.791 -3.083 417 HB2 CYS 54 2HB CYS 54 0.677 8.507 -5.136 418 HB3 CYS 54 3HB CYS 54 2.182 9.180 -5.771 419 HA PRO 55 HA PRO 55 6.345 9.242 -3.315 420 HB2 PRO 55 2HB PRO 55 7.650 6.928 -2.812 421 HB3 PRO 55 3HB PRO 55 6.719 7.745 -1.516 422 HG2 PRO 55 2HG PRO 55 5.860 5.400 -3.240 423 HG3 PRO 55 3HG PRO 55 5.699 5.591 -1.470 424 HD2 PRO 55 2HD PRO 55 3.683 6.163 -3.304 425 HD3 PRO 55 3HD PRO 55 3.811 6.944 -1.698 426 H ILE 56 H ILE 56 7.630 9.329 -5.158 427 HA ILE 56 HA ILE 56 8.712 8.751 -7.054 428 HB ILE 56 HB ILE 56 7.130 6.164 -7.260 429 HG12 ILE 56 2HG1 ILE 56 9.981 6.001 -6.454 430 HG13 ILE 56 3HG1 ILE 56 8.963 6.690 -5.199 431 HG21 ILE 56 1HG2 ILE 56 9.006 5.486 -8.711 432 HG22 ILE 56 2HG2 ILE 56 8.136 6.882 -9.359 433 HG23 ILE 56 3HG2 ILE 56 9.704 7.114 -8.563 434 HD11 ILE 56 1HD1 ILE 56 9.116 4.228 -5.009 435 HD12 ILE 56 2HD1 ILE 56 7.449 4.760 -5.288 436 HD13 ILE 56 3HD1 ILE 56 8.390 4.057 -6.622 437 H CYS 57 H CYS 57 5.169 7.976 -7.094 438 HA CYS 57 HA CYS 57 4.703 9.437 -9.613 439 HB2 CYS 57 2HB CYS 57 2.388 8.523 -9.073 440 HB3 CYS 57 3HB CYS 57 3.573 7.333 -9.609 441 H ARG 58 H ARG 58 2.710 10.638 -8.925 442 HA ARG 58 HA ARG 58 2.643 11.726 -6.245 443 HB2 ARG 58 2HB ARG 58 4.491 13.111 -7.318 444 HB3 ARG 58 3HB ARG 58 3.267 13.836 -8.361 445 HG2 ARG 58 2HG ARG 58 2.360 13.835 -5.573 446 HG3 ARG 58 3HG ARG 58 3.980 14.519 -5.671 447 HD2 ARG 58 2HD ARG 58 3.206 16.166 -7.333 448 HD3 ARG 58 3HD ARG 58 1.575 15.455 -7.287 449 HE ARG 58 HE ARG 58 2.350 16.081 -4.647 450 HH11 ARG 58 1HH1 ARG 58 0.850 19.253 -4.457 451 HH12 ARG 58 2HH1 ARG 58 1.497 17.937 -3.556 452 HH21 ARG 58 1HH2 ARG 58 0.808 19.152 -6.829 453 HH22 ARG 58 2HH2 ARG 58 1.434 17.741 -7.610 454 H VAL 59 H VAL 59 0.644 10.517 -6.791 455 HA VAL 59 HA VAL 59 -1.356 12.198 -8.218 456 HB VAL 59 HB VAL 59 -1.172 9.185 -7.798 457 HG11 VAL 59 1HG1 VAL 59 -3.271 10.833 -9.286 458 HG12 VAL 59 2HG1 VAL 59 -3.165 9.058 -9.285 459 HG13 VAL 59 3HG1 VAL 59 -3.532 9.913 -7.786 460 HG21 VAL 59 1HG2 VAL 59 -0.983 9.108 -10.291 461 HG22 VAL 59 2HG2 VAL 59 -0.902 10.885 -10.318 462 HG23 VAL 59 3HG2 VAL 59 0.384 9.935 -9.541 463 H ASP 60 H ASP 60 -3.233 12.639 -6.990 464 HA ASP 60 HA ASP 60 -2.914 12.351 -4.136 465 HB2 ASP 60 2HB ASP 60 -5.203 13.392 -5.843 466 HB3 ASP 60 3HB ASP 60 -5.199 13.388 -4.072 467 H ILE 61 H ILE 61 -3.518 10.586 -2.987 468 HA ILE 61 HA ILE 61 -4.499 8.277 -4.372 469 HB ILE 61 HB ILE 61 -4.035 8.842 -1.410 470 HG12 ILE 61 2HG1 ILE 61 -1.999 9.299 -2.490 471 HG13 ILE 61 3HG1 ILE 61 -1.828 7.684 -1.823 472 HG21 ILE 61 1HG2 ILE 61 -5.301 6.796 -1.660 473 HG22 ILE 61 2HG2 ILE 61 -4.170 6.195 -2.891 474 HG23 ILE 61 3HG2 ILE 61 -3.632 6.437 -1.201 475 HD11 ILE 61 1HD1 ILE 61 -0.937 7.588 -4.014 476 HD12 ILE 61 2HD1 ILE 61 -2.538 6.852 -4.173 477 HD13 ILE 61 3HD1 ILE 61 -2.297 8.520 -4.694 478 H GLU 62 H GLU 62 -5.999 10.792 -2.571 479 HA GLU 62 HA GLU 62 -8.550 9.271 -2.388 480 HB2 GLU 62 2HB GLU 62 -7.575 10.178 -0.209 481 HB3 GLU 62 3HB GLU 62 -7.709 11.806 -0.899 482 HG2 GLU 62 2HG GLU 62 -9.570 11.222 0.638 483 HG3 GLU 62 3HG GLU 62 -10.102 11.681 -0.979 484 H ALA 63 H ALA 63 -10.381 10.318 -3.336 485 HA ALA 63 HA ALA 63 -9.734 12.670 -5.078 486 HB1 ALA 63 1HB ALA 63 -11.014 11.590 -6.873 487 HB2 ALA 63 2HB ALA 63 -9.640 10.578 -6.382 488 HB3 ALA 63 3HB ALA 63 -11.289 10.165 -5.844 489 H GLN 64 H GLN 64 -10.848 12.747 -2.545 490 HA GLN 64 HA GLN 64 -12.425 13.764 -1.347 491 HB2 GLN 64 2HB GLN 64 -12.670 15.275 -3.318 492 HB3 GLN 64 3HB GLN 64 -14.036 14.305 -3.871 493 HG2 GLN 64 2HG GLN 64 -13.991 15.449 -1.053 494 HG3 GLN 64 3HG GLN 64 -14.411 16.463 -2.430 495 HE21 GLN 64 1HE2 GLN 64 -15.746 14.138 -0.152 496 HE22 GLN 64 2HE2 GLN 64 -17.258 14.019 -1.027 497 H LEU 65 H LEU 65 -13.537 12.533 0.033 498 HA LEU 65 HA LEU 65 -15.427 10.529 -1.060 499 HB2 LEU 65 2HB LEU 65 -14.775 8.953 0.548 500 HB3 LEU 65 3HB LEU 65 -13.281 9.536 -0.142 501 HG LEU 65 HG LEU 65 -14.444 10.479 2.538 502 HD11 LEU 65 1HD1 LEU 65 -12.783 9.004 3.559 503 HD12 LEU 65 2HD1 LEU 65 -13.931 8.094 2.572 504 HD13 LEU 65 3HD1 LEU 65 -12.294 8.418 1.950 505 HD21 LEU 65 1HD2 LEU 65 -12.937 12.169 2.037 506 HD22 LEU 65 2HD2 LEU 65 -11.830 10.991 2.757 507 HD23 LEU 65 3HD2 LEU 65 -11.941 11.118 0.999 508 HA PRO 66 HA PRO 66 -18.280 12.585 1.623 509 HB2 PRO 66 2HB PRO 66 -20.035 10.598 2.330 510 HB3 PRO 66 3HB PRO 66 -19.941 11.261 0.669 511 HG2 PRO 66 2HG PRO 66 -18.633 8.744 1.742 512 HG3 PRO 66 3HG PRO 66 -19.587 8.939 0.236 513 HD2 PRO 66 2HD PRO 66 -16.870 9.002 0.247 514 HD3 PRO 66 3HD PRO 66 -17.811 10.053 -0.850 515 H SER 67 H SER 67 -18.386 13.074 3.802 516 HA SER 67 HA SER 67 -17.926 13.069 6.018 517 HB2 SER 67 2HB SER 67 -19.557 11.217 5.930 518 HB3 SER 67 3HB SER 67 -18.231 10.054 5.745 519 HG SER 67 HG SER 67 -17.425 10.750 7.728 520 H GLU 68 H GLU 68 -15.626 13.693 4.986 521 HA GLU 68 HA GLU 68 -13.494 11.858 5.531 522 HB2 GLU 68 2HB GLU 68 -12.085 13.963 5.678 523 HB3 GLU 68 3HB GLU 68 -12.882 13.616 4.146 524 HG2 GLU 68 2HG GLU 68 -14.485 15.345 4.425 525 HG3 GLU 68 3HG GLU 68 -14.114 15.555 6.134 526 H SER 69 H SER 69 -14.849 14.498 7.555 527 HA SER 69 HA SER 69 -14.463 15.127 9.681 528 HB2 SER 69 2HB SER 69 -14.182 12.148 10.177 529 HB3 SER 69 3HB SER 69 -14.395 13.393 11.422 530 HG SER 69 HG SER 69 -16.381 12.376 10.745
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