NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17707 | 2cte | 11139 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -13.768 -20.346 7.739 2 HA2 GLY 1 1HA GLY 1 -11.617 -20.815 6.854 3 HA3 GLY 1 2HA GLY 1 -12.325 -22.097 5.881 4 H SER 2 H SER 2 -11.148 -18.961 5.866 5 HA SER 2 HA SER 2 -12.343 -18.481 3.217 6 HB2 SER 2 1HB SER 2 -13.319 -16.915 4.818 7 HB3 SER 2 2HB SER 2 -11.709 -16.416 5.339 8 HG SER 2 HG SER 2 -11.629 -15.114 3.701 9 H SER 3 H SER 3 -9.602 -17.770 5.355 10 HA SER 3 HA SER 3 -7.832 -17.900 3.024 11 HB2 SER 3 1HB SER 3 -6.688 -15.883 3.556 12 HB3 SER 3 2HB SER 3 -8.405 -15.485 3.608 13 HG SER 3 HG SER 3 -6.551 -15.687 5.686 14 H GLY 4 H GLY 4 -5.445 -17.791 3.859 15 HA2 GLY 4 1HA GLY 4 -4.175 -18.282 6.002 16 HA3 GLY 4 2HA GLY 4 -5.292 -19.629 6.164 17 H SER 5 H SER 5 -3.911 -21.320 6.003 18 HA SER 5 HA SER 5 -2.244 -22.670 5.166 19 HB2 SER 5 1HB SER 5 -2.840 -23.617 3.057 20 HB3 SER 5 2HB SER 5 -4.353 -23.144 3.832 21 HG SER 5 HG SER 5 -3.823 -21.057 2.546 22 H SER 6 H SER 6 -1.243 -20.117 5.403 23 HA SER 6 HA SER 6 -0.169 -18.961 3.105 24 HB2 SER 6 1HB SER 6 0.880 -19.012 5.941 25 HB3 SER 6 2HB SER 6 1.561 -18.003 4.665 26 HG SER 6 HG SER 6 -0.475 -16.996 4.472 27 H GLY 7 H GLY 7 1.314 -21.325 5.323 28 HA2 GLY 7 1HA GLY 7 2.939 -22.908 4.955 29 HA3 GLY 7 2HA GLY 7 2.632 -22.714 3.234 30 H ASP 8 H ASP 8 5.166 -23.203 4.017 31 HA ASP 8 HA ASP 8 6.499 -20.731 3.254 32 HB2 ASP 8 1HB ASP 8 6.988 -22.178 5.843 33 HB3 ASP 8 2HB ASP 8 8.269 -21.244 5.075 34 H ILE 9 H ILE 9 7.499 -21.359 1.456 35 HA ILE 9 HA ILE 9 8.641 -24.043 1.288 36 HB ILE 9 HB ILE 9 8.330 -21.930 -0.848 37 HG12 ILE 9 1HG1 ILE 9 6.168 -22.748 -0.207 38 HG13 ILE 9 2HG1 ILE 9 6.599 -23.534 -1.722 39 HG21 ILE 9 1HG2 ILE 9 10.226 -23.692 -1.005 40 HG22 ILE 9 2HG2 ILE 9 8.916 -24.816 -1.365 41 HG23 ILE 9 3HG2 ILE 9 9.187 -23.416 -2.402 42 HD11 ILE 9 1HD1 ILE 9 7.541 -25.307 0.117 43 HD12 ILE 9 2HD1 ILE 9 6.098 -24.677 0.911 44 HD13 ILE 9 3HD1 ILE 9 5.977 -25.405 -0.690 45 H VAL 10 H VAL 10 10.735 -24.410 1.575 46 HA VAL 10 HA VAL 10 12.627 -22.783 2.530 47 HB VAL 10 HB VAL 10 13.213 -25.052 2.297 48 HG11 VAL 10 1HG1 VAL 10 12.864 -24.690 -0.674 49 HG12 VAL 10 2HG1 VAL 10 13.517 -26.141 0.089 50 HG13 VAL 10 3HG1 VAL 10 11.853 -25.650 0.406 51 HG21 VAL 10 1HG2 VAL 10 14.963 -23.666 0.276 52 HG22 VAL 10 2HG2 VAL 10 15.065 -23.375 2.012 53 HG23 VAL 10 3HG2 VAL 10 15.402 -24.980 1.366 54 H ALA 11 H ALA 11 13.284 -20.829 1.940 55 HA ALA 11 HA ALA 11 14.360 -20.372 -0.689 56 HB1 ALA 11 1HB ALA 11 12.456 -18.246 -0.202 57 HB2 ALA 11 2HB ALA 11 12.715 -19.221 -1.649 58 HB3 ALA 11 3HB ALA 11 11.663 -19.813 -0.365 59 H ARG 12 H ARG 12 16.020 -18.995 -0.552 60 HA ARG 12 HA ARG 12 16.769 -17.883 1.949 61 HB2 ARG 12 1HB ARG 12 17.874 -17.826 -0.824 62 HB3 ARG 12 2HB ARG 12 18.474 -16.653 0.340 63 HG2 ARG 12 1HG ARG 12 19.202 -18.413 1.811 64 HG3 ARG 12 2HG ARG 12 18.477 -19.633 0.763 65 HD2 ARG 12 1HD ARG 12 20.796 -17.819 0.121 66 HD3 ARG 12 2HD ARG 12 20.844 -19.565 0.356 67 HE ARG 12 HE ARG 12 19.069 -19.062 -1.721 68 HH11 ARG 12 1HH1 ARG 12 22.460 -18.663 -1.044 69 HH12 ARG 12 2HH1 ARG 12 22.943 -18.822 -2.700 70 HH21 ARG 12 1HH2 ARG 12 19.691 -19.272 -3.905 71 HH22 ARG 12 2HH2 ARG 12 21.367 -19.167 -4.327 72 H LEU 13 H LEU 13 17.267 -15.588 2.317 73 HA LEU 13 HA LEU 13 15.360 -13.808 0.947 74 HB2 LEU 13 1HB LEU 13 14.921 -12.683 3.014 75 HB3 LEU 13 2HB LEU 13 14.634 -14.408 3.229 76 HG LEU 13 HG LEU 13 17.275 -13.282 4.031 77 HD11 LEU 13 1HD1 LEU 13 16.535 -12.426 6.052 78 HD12 LEU 13 2HD1 LEU 13 14.973 -13.238 5.941 79 HD13 LEU 13 3HD1 LEU 13 15.316 -11.846 4.915 80 HD21 LEU 13 1HD2 LEU 13 17.428 -15.153 5.331 81 HD22 LEU 13 2HD2 LEU 13 16.387 -15.771 4.049 82 HD23 LEU 13 3HD2 LEU 13 15.686 -15.258 5.585 83 H GLN 14 H GLN 14 17.893 -14.020 -0.021 84 HA GLN 14 HA GLN 14 19.322 -11.681 1.043 85 HB2 GLN 14 1HB GLN 14 20.537 -13.880 0.877 86 HB3 GLN 14 2HB GLN 14 20.378 -13.763 -0.870 87 HG2 GLN 14 1HG GLN 14 21.780 -11.881 -0.978 88 HG3 GLN 14 2HG GLN 14 21.689 -11.616 0.762 89 HE21 GLN 14 1HE2 GLN 14 23.513 -12.876 -1.711 90 HE22 GLN 14 2HE2 GLN 14 24.591 -13.857 -0.784 91 H THR 15 H THR 15 16.999 -11.341 -0.551 92 HA THR 15 HA THR 15 18.166 -9.790 -2.724 93 HB THR 15 HB THR 15 16.477 -10.613 -4.355 94 HG1 THR 15 HG1 THR 15 15.415 -12.592 -3.842 95 HG21 THR 15 1HG2 THR 15 18.840 -11.505 -4.200 96 HG22 THR 15 2HG2 THR 15 17.674 -12.566 -4.990 97 HG23 THR 15 3HG2 THR 15 18.171 -12.884 -3.329 98 H GLN 16 H GLN 16 16.246 -8.595 -3.901 99 HA GLN 16 HA GLN 16 14.315 -7.713 -1.861 100 HB2 GLN 16 1HB GLN 16 15.748 -5.925 -3.833 101 HB3 GLN 16 2HB GLN 16 14.574 -5.413 -2.628 102 HG2 GLN 16 1HG GLN 16 17.221 -6.693 -1.988 103 HG3 GLN 16 2HG GLN 16 16.927 -4.956 -2.009 104 HE21 GLN 16 1HE2 GLN 16 15.061 -4.246 -0.614 105 HE22 GLN 16 2HE2 GLN 16 14.924 -4.989 0.940 106 H ALA 17 H ALA 17 12.252 -7.398 -2.528 107 HA ALA 17 HA ALA 17 11.701 -7.784 -5.399 108 HB1 ALA 17 1HB ALA 17 11.034 -9.564 -3.490 109 HB2 ALA 17 2HB ALA 17 9.590 -8.549 -3.492 110 HB3 ALA 17 3HB ALA 17 10.119 -9.333 -4.980 111 H SER 18 H SER 18 9.464 -6.972 -6.008 112 HA SER 18 HA SER 18 8.560 -4.691 -4.434 113 HB2 SER 18 1HB SER 18 9.064 -4.223 -7.352 114 HB3 SER 18 2HB SER 18 8.939 -3.051 -6.039 115 HG SER 18 HG SER 18 11.101 -4.712 -6.744 116 H ALA 19 H ALA 19 6.410 -4.507 -4.475 117 HA ALA 19 HA ALA 19 4.942 -5.915 -6.611 118 HB1 ALA 19 1HB ALA 19 4.640 -5.987 -3.677 119 HB2 ALA 19 2HB ALA 19 3.146 -5.911 -4.611 120 HB3 ALA 19 3HB ALA 19 4.293 -7.222 -4.888 121 H THR 20 H THR 20 2.533 -5.113 -6.583 122 HA THR 20 HA THR 20 2.417 -2.209 -6.199 123 HB THR 20 HB THR 20 1.075 -2.312 -8.503 124 HG1 THR 20 HG1 THR 20 3.003 -4.402 -8.654 125 HG21 THR 20 1HG2 THR 20 2.687 -0.737 -8.623 126 HG22 THR 20 2HG2 THR 20 3.567 -1.974 -9.519 127 HG23 THR 20 3HG2 THR 20 3.874 -1.744 -7.798 128 H VAL 21 H VAL 21 0.221 -1.349 -6.271 129 HA VAL 21 HA VAL 21 -1.863 -3.367 -5.792 130 HB VAL 21 HB VAL 21 -1.190 -2.655 -3.598 131 HG11 VAL 21 1HG1 VAL 21 -0.276 -0.414 -4.611 132 HG12 VAL 21 2HG1 VAL 21 -1.864 0.196 -4.144 133 HG13 VAL 21 3HG1 VAL 21 -0.793 -0.497 -2.927 134 HG21 VAL 21 1HG2 VAL 21 -3.354 -2.772 -3.106 135 HG22 VAL 21 2HG2 VAL 21 -3.457 -1.028 -3.347 136 HG23 VAL 21 3HG2 VAL 21 -3.798 -2.125 -4.685 137 H ALA 22 H ALA 22 -3.266 -3.074 -7.399 138 HA ALA 22 HA ALA 22 -3.637 -0.589 -8.741 139 HB1 ALA 22 1HB ALA 22 -4.287 -3.271 -9.222 140 HB2 ALA 22 2HB ALA 22 -5.821 -2.402 -9.175 141 HB3 ALA 22 3HB ALA 22 -4.552 -1.891 -10.289 142 H ILE 23 H ILE 23 -4.585 1.089 -7.782 143 HA ILE 23 HA ILE 23 -7.209 0.685 -6.549 144 HB ILE 23 HB ILE 23 -6.461 2.474 -4.816 145 HG12 ILE 23 1HG1 ILE 23 -3.810 1.234 -5.585 146 HG13 ILE 23 2HG1 ILE 23 -4.264 2.923 -5.787 147 HG21 ILE 23 1HG2 ILE 23 -6.938 0.671 -3.601 148 HG22 ILE 23 2HG2 ILE 23 -6.336 -0.416 -4.852 149 HG23 ILE 23 3HG2 ILE 23 -5.222 0.272 -3.672 150 HD11 ILE 23 1HD1 ILE 23 -3.658 3.411 -3.715 151 HD12 ILE 23 2HD1 ILE 23 -4.582 2.062 -3.051 152 HD13 ILE 23 3HD1 ILE 23 -2.938 1.803 -3.637 153 HA PRO 24 HA PRO 24 -8.369 4.322 -8.716 154 HB2 PRO 24 1HB PRO 24 -10.183 5.419 -7.020 155 HB3 PRO 24 2HB PRO 24 -10.508 3.958 -7.961 156 HG2 PRO 24 1HG PRO 24 -9.681 4.221 -5.096 157 HG3 PRO 24 2HG PRO 24 -10.901 3.153 -5.814 158 HD2 PRO 24 1HD PRO 24 -8.420 2.293 -5.155 159 HD3 PRO 24 2HD PRO 24 -9.329 1.627 -6.527 160 H LYS 25 H LYS 25 -7.729 6.403 -8.957 161 HA LYS 25 HA LYS 25 -5.741 7.495 -7.340 162 HB2 LYS 25 1HB LYS 25 -7.577 8.749 -9.376 163 HB3 LYS 25 2HB LYS 25 -6.305 9.659 -8.571 164 HG2 LYS 25 1HG LYS 25 -4.833 7.625 -9.425 165 HG3 LYS 25 2HG LYS 25 -6.116 7.545 -10.636 166 HD2 LYS 25 1HD LYS 25 -4.934 10.205 -10.033 167 HD3 LYS 25 2HD LYS 25 -3.964 9.062 -10.966 168 HE2 LYS 25 1HE LYS 25 -6.666 10.199 -11.636 169 HE3 LYS 25 2HE LYS 25 -5.161 10.361 -12.540 170 HZ1 LYS 25 1HZ LYS 25 -5.354 7.777 -12.646 171 HZ2 LYS 25 2HZ LYS 25 -6.220 8.744 -13.731 172 HZ3 LYS 25 3HZ LYS 25 -6.998 8.079 -12.384 173 H GLU 26 H GLU 26 -9.053 7.316 -6.767 174 HA GLU 26 HA GLU 26 -9.286 9.743 -5.227 175 HB2 GLU 26 1HB GLU 26 -11.524 9.253 -5.028 176 HB3 GLU 26 2HB GLU 26 -11.139 8.386 -6.509 177 HG2 GLU 26 1HG GLU 26 -10.685 6.401 -4.866 178 HG3 GLU 26 2HG GLU 26 -11.726 7.331 -3.790 179 H HIS 27 H HIS 27 -8.310 6.493 -4.675 180 HA HIS 27 HA HIS 27 -8.646 6.711 -1.785 181 HB2 HIS 27 1HB HIS 27 -7.744 4.450 -3.572 182 HB3 HIS 27 2HB HIS 27 -7.721 4.354 -1.813 183 HD1 HIS 27 HD1 HIS 27 -9.436 2.360 -3.258 184 HD2 HIS 27 HD2 HIS 27 -10.842 6.089 -2.085 185 HE1 HIS 27 HE1 HIS 27 -11.935 2.124 -3.121 186 H HIS 28 H HIS 28 -6.233 7.049 -4.217 187 HA HIS 28 HA HIS 28 -3.879 6.471 -2.925 188 HB2 HIS 28 1HB HIS 28 -4.630 8.530 -4.963 189 HB3 HIS 28 2HB HIS 28 -3.011 8.557 -4.272 190 HD2 HIS 28 HD2 HIS 28 -4.727 5.151 -5.149 191 HE1 HIS 28 HE1 HIS 28 -1.518 5.804 -7.847 192 HE2 HIS 28 HE2 HIS 28 -3.325 4.211 -7.108 193 H ARG 29 H ARG 29 -5.971 9.257 -2.502 194 HA ARG 29 HA ARG 29 -4.169 10.788 -0.933 195 HB2 ARG 29 1HB ARG 29 -6.041 12.199 -0.440 196 HB3 ARG 29 2HB ARG 29 -6.179 11.694 -2.119 197 HG2 ARG 29 1HG ARG 29 -7.830 10.012 -1.480 198 HG3 ARG 29 2HG ARG 29 -7.692 10.519 0.204 199 HD2 ARG 29 1HD ARG 29 -8.816 12.481 -0.152 200 HD3 ARG 29 2HD ARG 29 -8.313 12.586 -1.839 201 HE ARG 29 HE ARG 29 -9.950 10.469 -1.888 202 HH11 ARG 29 1HH1 ARG 29 -10.309 13.637 -0.490 203 HH12 ARG 29 2HH1 ARG 29 -12.031 13.672 -0.688 204 HH21 ARG 29 1HH2 ARG 29 -12.214 10.503 -2.155 205 HH22 ARG 29 2HH2 ARG 29 -13.113 11.888 -1.635 206 H PHE 30 H PHE 30 -6.720 8.470 -0.150 207 HA PHE 30 HA PHE 30 -6.690 8.820 2.639 208 HB2 PHE 30 1HB PHE 30 -7.579 6.618 0.812 209 HB3 PHE 30 2HB PHE 30 -7.535 6.337 2.548 210 HD1 PHE 30 HD1 PHE 30 -9.003 7.589 4.049 211 HD2 PHE 30 HD2 PHE 30 -9.212 8.058 -0.176 212 HE1 PHE 30 HE1 PHE 30 -11.202 8.668 4.281 213 HE2 PHE 30 HE2 PHE 30 -11.411 9.139 0.049 214 HZ PHE 30 HZ PHE 30 -12.408 9.446 2.280 215 H VAL 31 H VAL 31 -4.334 7.577 0.594 216 HA VAL 31 HA VAL 31 -3.154 5.881 2.677 217 HB VAL 31 HB VAL 31 -2.266 6.222 -0.191 218 HG11 VAL 31 1HG1 VAL 31 -1.510 3.745 1.006 219 HG12 VAL 31 2HG1 VAL 31 -0.479 5.026 0.363 220 HG13 VAL 31 3HG1 VAL 31 -0.992 5.068 2.050 221 HG21 VAL 31 1HG2 VAL 31 -3.365 4.142 -0.673 222 HG22 VAL 31 2HG2 VAL 31 -3.841 3.951 1.014 223 HG23 VAL 31 3HG2 VAL 31 -4.543 5.245 0.043 224 H ILE 32 H ILE 32 -2.728 8.882 0.984 225 HA ILE 32 HA ILE 32 0.003 9.253 1.855 226 HB ILE 32 HB ILE 32 -1.914 11.195 0.559 227 HG12 ILE 32 1HG1 ILE 32 0.442 9.762 -0.673 228 HG13 ILE 32 2HG1 ILE 32 -1.206 9.153 -0.768 229 HG21 ILE 32 1HG2 ILE 32 -0.304 12.476 1.725 230 HG22 ILE 32 2HG2 ILE 32 1.010 11.409 1.229 231 HG23 ILE 32 3HG2 ILE 32 0.218 12.445 0.041 232 HD11 ILE 32 1HD1 ILE 32 -1.395 10.332 -2.635 233 HD12 ILE 32 2HD1 ILE 32 -1.412 11.774 -1.620 234 HD13 ILE 32 3HD1 ILE 32 0.103 11.206 -2.321 235 H GLY 33 H GLY 33 -3.200 10.481 2.732 236 HA2 GLY 33 1HA GLY 33 -3.563 10.842 5.144 237 HA3 GLY 33 2HA GLY 33 -1.982 11.609 5.178 238 H LYS 34 H LYS 34 -4.210 12.888 6.179 239 HA LYS 34 HA LYS 34 -5.665 14.523 4.503 240 HB2 LYS 34 1HB LYS 34 -5.776 16.111 6.422 241 HB3 LYS 34 2HB LYS 34 -6.147 14.448 6.857 242 HG2 LYS 34 1HG LYS 34 -3.598 14.364 7.458 243 HG3 LYS 34 2HG LYS 34 -3.786 16.115 7.567 244 HD2 LYS 34 1HD LYS 34 -4.244 15.451 9.732 245 HD3 LYS 34 2HD LYS 34 -5.861 15.525 9.028 246 HE2 LYS 34 1HE LYS 34 -5.533 13.041 8.496 247 HE3 LYS 34 2HE LYS 34 -4.177 13.110 9.620 248 HZ1 LYS 34 1HZ LYS 34 -5.705 12.675 11.165 249 HZ2 LYS 34 2HZ LYS 34 -7.000 13.083 10.158 250 HZ3 LYS 34 3HZ LYS 34 -6.175 14.292 11.006 251 H ASN 35 H ASN 35 -2.517 15.262 6.001 252 HA ASN 35 HA ASN 35 -2.165 17.396 4.004 253 HB2 ASN 35 1HB ASN 35 -0.812 17.067 6.692 254 HB3 ASN 35 2HB ASN 35 -0.554 18.397 5.568 255 HD21 ASN 35 1HD2 ASN 35 -2.058 17.591 8.317 256 HD22 ASN 35 2HD2 ASN 35 -3.395 18.685 8.274 257 H GLY 36 H GLY 36 -0.886 14.438 5.270 258 HA2 GLY 36 1HA GLY 36 0.475 13.311 3.422 259 HA3 GLY 36 2HA GLY 36 1.511 14.723 3.576 260 H GLU 37 H GLU 37 -0.083 12.695 6.027 261 HA GLU 37 HA GLU 37 2.578 12.221 7.202 262 HB2 GLU 37 1HB GLU 37 0.056 11.961 8.792 263 HB3 GLU 37 2HB GLU 37 1.682 12.347 9.339 264 HG2 GLU 37 1HG GLU 37 1.273 14.507 7.875 265 HG3 GLU 37 2HG GLU 37 -0.413 14.114 8.208 266 H LYS 38 H LYS 38 -0.532 10.790 6.392 267 HA LYS 38 HA LYS 38 -0.337 8.280 7.465 268 HB2 LYS 38 1HB LYS 38 -2.129 9.392 5.883 269 HB3 LYS 38 2HB LYS 38 -1.248 8.533 4.627 270 HG2 LYS 38 1HG LYS 38 -2.812 7.429 6.923 271 HG3 LYS 38 2HG LYS 38 -2.945 7.065 5.201 272 HD2 LYS 38 1HD LYS 38 -0.873 5.853 5.238 273 HD3 LYS 38 2HD LYS 38 -0.556 6.355 6.901 274 HE2 LYS 38 1HE LYS 38 -3.075 4.882 6.296 275 HE3 LYS 38 2HE LYS 38 -1.560 3.982 6.355 276 HZ1 LYS 38 1HZ LYS 38 -1.609 5.639 8.583 277 HZ2 LYS 38 2HZ LYS 38 -1.745 3.953 8.547 278 HZ3 LYS 38 3HZ LYS 38 -3.136 4.914 8.495 279 H LEU 39 H LEU 39 0.636 8.998 4.106 280 HA LEU 39 HA LEU 39 1.912 6.665 3.498 281 HB2 LEU 39 1HB LEU 39 1.812 8.070 1.706 282 HB3 LEU 39 2HB LEU 39 2.271 9.485 2.652 283 HG LEU 39 HG LEU 39 4.619 8.555 2.680 284 HD11 LEU 39 1HD1 LEU 39 4.236 6.267 2.155 285 HD12 LEU 39 2HD1 LEU 39 5.122 6.975 0.806 286 HD13 LEU 39 3HD1 LEU 39 3.388 6.686 0.666 287 HD21 LEU 39 1HD2 LEU 39 3.255 9.421 0.147 288 HD22 LEU 39 2HD2 LEU 39 5.000 9.181 0.241 289 HD23 LEU 39 3HD2 LEU 39 4.220 10.386 1.266 290 H GLN 40 H GLN 40 3.324 9.465 5.161 291 HA GLN 40 HA GLN 40 5.943 8.598 5.372 292 HB2 GLN 40 1HB GLN 40 4.459 10.074 7.546 293 HB3 GLN 40 2HB GLN 40 6.183 10.123 7.207 294 HG2 GLN 40 1HG GLN 40 3.973 11.235 5.496 295 HG3 GLN 40 2HG GLN 40 5.152 12.147 6.436 296 HE21 GLN 40 1HE2 GLN 40 7.473 10.852 5.855 297 HE22 GLN 40 2HE2 GLN 40 7.839 11.019 4.174 298 H ASP 41 H ASP 41 3.389 8.193 7.833 299 HA ASP 41 HA ASP 41 4.796 6.603 9.603 300 HB2 ASP 41 1HB ASP 41 2.443 7.619 9.832 301 HB3 ASP 41 2HB ASP 41 1.873 6.156 9.034 302 H LEU 42 H LEU 42 2.922 5.625 6.762 303 HA LEU 42 HA LEU 42 3.144 2.851 7.111 304 HB2 LEU 42 1HB LEU 42 2.546 4.668 4.846 305 HB3 LEU 42 2HB LEU 42 2.991 3.007 4.457 306 HG LEU 42 HG LEU 42 0.699 3.803 6.253 307 HD11 LEU 42 1HD1 LEU 42 0.825 3.103 3.337 308 HD12 LEU 42 2HD1 LEU 42 0.066 4.495 4.107 309 HD13 LEU 42 3HD1 LEU 42 -0.644 2.891 4.289 310 HD21 LEU 42 1HD2 LEU 42 1.580 1.147 5.127 311 HD22 LEU 42 2HD2 LEU 42 0.044 1.431 5.947 312 HD23 LEU 42 3HD2 LEU 42 1.562 1.629 6.823 313 H GLU 43 H GLU 43 5.057 5.012 5.014 314 HA GLU 43 HA GLU 43 6.867 3.207 4.019 315 HB2 GLU 43 1HB GLU 43 7.018 6.116 4.665 316 HB3 GLU 43 2HB GLU 43 8.504 5.281 4.235 317 HG2 GLU 43 1HG GLU 43 7.542 4.599 2.118 318 HG3 GLU 43 2HG GLU 43 6.012 5.359 2.550 319 H LEU 44 H LEU 44 6.869 4.762 7.178 320 HA LEU 44 HA LEU 44 9.424 3.682 7.936 321 HB2 LEU 44 1HB LEU 44 7.269 5.209 9.340 322 HB3 LEU 44 2HB LEU 44 8.569 4.457 10.261 323 HG LEU 44 HG LEU 44 9.035 6.453 8.051 324 HD11 LEU 44 1HD1 LEU 44 9.660 7.718 10.391 325 HD12 LEU 44 2HD1 LEU 44 8.191 6.841 10.821 326 HD13 LEU 44 3HD1 LEU 44 8.181 7.963 9.459 327 HD21 LEU 44 1HD2 LEU 44 10.756 5.131 10.123 328 HD22 LEU 44 2HD2 LEU 44 11.215 6.666 9.384 329 HD23 LEU 44 3HD2 LEU 44 10.999 5.232 8.379 330 H LYS 45 H LYS 45 6.197 3.235 9.392 331 HA LYS 45 HA LYS 45 6.655 1.092 10.981 332 HB2 LYS 45 1HB LYS 45 4.456 2.346 10.516 333 HB3 LYS 45 2HB LYS 45 4.203 1.169 9.235 334 HG2 LYS 45 1HG LYS 45 4.098 -0.623 10.769 335 HG3 LYS 45 2HG LYS 45 4.718 0.375 12.086 336 HD2 LYS 45 1HD LYS 45 2.409 0.219 12.485 337 HD3 LYS 45 2HD LYS 45 2.631 1.809 11.752 338 HE2 LYS 45 1HE LYS 45 1.658 1.176 9.763 339 HE3 LYS 45 2HE LYS 45 2.032 -0.531 10.002 340 HZ1 LYS 45 1HZ LYS 45 0.367 -0.444 11.878 341 HZ2 LYS 45 2HZ LYS 45 -0.268 -0.330 10.315 342 HZ3 LYS 45 3HZ LYS 45 -0.119 1.059 11.270 343 H THR 46 H THR 46 6.141 1.008 7.486 344 HA THR 46 HA THR 46 6.529 -1.886 7.453 345 HB THR 46 HB THR 46 5.855 -1.846 5.157 346 HG1 THR 46 HG1 THR 46 6.427 0.898 5.386 347 HG21 THR 46 1HG2 THR 46 3.674 -0.553 5.306 348 HG22 THR 46 2HG2 THR 46 4.210 -0.021 6.900 349 HG23 THR 46 3HG2 THR 46 3.965 -1.737 6.579 350 H ALA 47 H ALA 47 8.294 1.000 6.998 351 HA ALA 47 HA ALA 47 10.424 1.451 6.336 352 HB1 ALA 47 1HB ALA 47 11.636 0.150 7.673 353 HB2 ALA 47 2HB ALA 47 10.483 -1.179 7.540 354 HB3 ALA 47 3HB ALA 47 11.751 -0.986 6.329 355 H THR 48 H THR 48 8.472 0.813 4.303 356 HA THR 48 HA THR 48 10.159 -0.441 2.242 357 HB THR 48 HB THR 48 8.071 -0.690 0.924 358 HG1 THR 48 HG1 THR 48 6.873 1.005 1.922 359 HG21 THR 48 1HG2 THR 48 8.916 -2.485 2.444 360 HG22 THR 48 2HG2 THR 48 7.173 -2.536 2.174 361 HG23 THR 48 3HG2 THR 48 7.814 -1.886 3.683 362 H LYS 49 H LYS 49 9.568 0.472 -0.038 363 HA LYS 49 HA LYS 49 9.787 3.402 0.139 364 HB2 LYS 49 1HB LYS 49 11.032 1.358 -1.628 365 HB3 LYS 49 2HB LYS 49 10.663 2.922 -2.341 366 HG2 LYS 49 1HG LYS 49 12.931 2.922 -1.565 367 HG3 LYS 49 2HG LYS 49 11.976 4.007 -0.551 368 HD2 LYS 49 1HD LYS 49 13.224 2.833 1.010 369 HD3 LYS 49 2HD LYS 49 11.708 1.929 0.981 370 HE2 LYS 49 1HE LYS 49 12.642 0.133 -0.083 371 HE3 LYS 49 2HE LYS 49 13.861 1.111 -0.898 372 HZ1 LYS 49 1HZ LYS 49 14.534 -0.455 1.038 373 HZ2 LYS 49 2HZ LYS 49 13.977 0.802 2.023 374 HZ3 LYS 49 3HZ LYS 49 15.232 1.082 0.923 375 H ILE 50 H ILE 50 7.479 3.630 0.205 376 HA ILE 50 HA ILE 50 5.813 2.656 -1.890 377 HB ILE 50 HB ILE 50 5.330 4.886 0.089 378 HG12 ILE 50 1HG1 ILE 50 4.311 2.040 0.110 379 HG13 ILE 50 2HG1 ILE 50 5.711 2.584 1.026 380 HG21 ILE 50 1HG2 ILE 50 3.418 3.460 -1.754 381 HG22 ILE 50 2HG2 ILE 50 2.947 4.568 -0.467 382 HG23 ILE 50 3HG2 ILE 50 3.893 5.156 -1.834 383 HD11 ILE 50 1HD1 ILE 50 3.736 4.376 1.728 384 HD12 ILE 50 2HD1 ILE 50 2.894 2.829 1.623 385 HD13 ILE 50 3HD1 ILE 50 4.296 2.999 2.679 386 H GLN 51 H GLN 51 5.152 3.602 -3.753 387 HA GLN 51 HA GLN 51 6.053 6.335 -4.328 388 HB2 GLN 51 1HB GLN 51 7.496 4.336 -5.297 389 HB3 GLN 51 2HB GLN 51 6.216 4.298 -6.502 390 HG2 GLN 51 1HG GLN 51 6.639 6.739 -6.887 391 HG3 GLN 51 2HG GLN 51 8.060 6.580 -5.857 392 HE21 GLN 51 1HE2 GLN 51 8.441 7.450 -8.353 393 HE22 GLN 51 2HE2 GLN 51 9.179 6.232 -9.331 394 H ILE 52 H ILE 52 4.287 7.474 -4.735 395 HA ILE 52 HA ILE 52 2.009 6.161 -6.046 396 HB ILE 52 HB ILE 52 2.080 8.787 -4.555 397 HG12 ILE 52 1HG1 ILE 52 0.774 6.222 -3.661 398 HG13 ILE 52 2HG1 ILE 52 2.432 6.625 -3.227 399 HG21 ILE 52 1HG2 ILE 52 -0.410 7.286 -5.222 400 HG22 ILE 52 2HG2 ILE 52 -0.182 9.007 -4.918 401 HG23 ILE 52 3HG2 ILE 52 0.346 8.305 -6.447 402 HD11 ILE 52 1HD1 ILE 52 1.108 7.283 -1.408 403 HD12 ILE 52 2HD1 ILE 52 1.506 8.772 -2.266 404 HD13 ILE 52 3HD1 ILE 52 -0.091 8.047 -2.453 405 HA PRO 53 HA PRO 53 2.877 8.365 -9.776 406 HB2 PRO 53 1HB PRO 53 0.476 7.989 -10.985 407 HB3 PRO 53 2HB PRO 53 1.687 6.711 -10.838 408 HG2 PRO 53 1HG PRO 53 -0.749 7.212 -9.172 409 HG3 PRO 53 2HG PRO 53 -0.120 5.677 -9.801 410 HD2 PRO 53 1HD PRO 53 0.269 6.474 -7.242 411 HD3 PRO 53 2HD PRO 53 1.455 5.496 -8.127 412 H ARG 54 H ARG 54 2.288 10.283 -10.875 413 HA ARG 54 HA ARG 54 1.340 12.365 -9.256 414 HB2 ARG 54 1HB ARG 54 1.779 12.141 -12.228 415 HB3 ARG 54 2HB ARG 54 1.208 13.627 -11.482 416 HG2 ARG 54 1HG ARG 54 3.455 14.021 -11.551 417 HG3 ARG 54 2HG ARG 54 3.306 13.297 -9.948 418 HD2 ARG 54 1HD ARG 54 4.003 11.151 -10.811 419 HD3 ARG 54 2HD ARG 54 4.031 11.787 -12.455 420 HE ARG 54 HE ARG 54 5.745 13.352 -10.919 421 HH11 ARG 54 1HH1 ARG 54 5.499 10.063 -12.028 422 HH12 ARG 54 2HH1 ARG 54 7.213 9.806 -12.057 423 HH21 ARG 54 1HH2 ARG 54 8.003 13.028 -10.952 424 HH22 ARG 54 2HH2 ARG 54 8.635 11.494 -11.443 425 HA PRO 55 HA PRO 55 -3.030 12.291 -9.647 426 HB2 PRO 55 1HB PRO 55 -3.619 14.941 -9.686 427 HB3 PRO 55 2HB PRO 55 -3.074 14.099 -8.230 428 HG2 PRO 55 1HG PRO 55 -1.508 15.796 -10.134 429 HG3 PRO 55 2HG PRO 55 -1.459 15.767 -8.362 430 HD2 PRO 55 1HD PRO 55 0.398 14.524 -9.892 431 HD3 PRO 55 2HD PRO 55 -0.103 13.904 -8.305 432 H ASP 56 H ASP 56 -1.064 13.322 -12.140 433 HA ASP 56 HA ASP 56 -3.365 13.712 -13.940 434 HB2 ASP 56 1HB ASP 56 -0.573 14.849 -14.055 435 HB3 ASP 56 2HB ASP 56 -1.659 14.867 -15.442 436 H ASP 57 H ASP 57 -0.933 11.610 -13.061 437 HA ASP 57 HA ASP 57 -0.384 10.534 -15.684 438 HB2 ASP 57 1HB ASP 57 1.105 10.538 -13.488 439 HB3 ASP 57 2HB ASP 57 0.257 9.022 -13.192 440 HA PRO 58 HA PRO 58 -3.813 7.778 -15.883 441 HB2 PRO 58 1HB PRO 58 -2.809 5.998 -17.671 442 HB3 PRO 58 2HB PRO 58 -3.354 7.616 -18.128 443 HG2 PRO 58 1HG PRO 58 -0.575 6.626 -17.623 444 HG3 PRO 58 2HG PRO 58 -1.167 7.688 -18.914 445 HD2 PRO 58 1HD PRO 58 0.107 8.633 -16.720 446 HD3 PRO 58 2HD PRO 58 -1.162 9.550 -17.557 447 H SER 59 H SER 59 -1.004 7.130 -14.306 448 HA SER 59 HA SER 59 -1.527 4.287 -13.878 449 HB2 SER 59 1HB SER 59 0.748 6.113 -13.119 450 HB3 SER 59 2HB SER 59 0.591 4.495 -12.437 451 HG SER 59 HG SER 59 1.192 3.660 -14.279 452 H ASN 60 H ASN 60 -2.890 3.714 -12.332 453 HA ASN 60 HA ASN 60 -3.149 5.444 -9.963 454 HB2 ASN 60 1HB ASN 60 -5.410 4.581 -9.702 455 HB3 ASN 60 2HB ASN 60 -5.207 5.234 -11.325 456 HD21 ASN 60 1HD2 ASN 60 -6.644 2.862 -9.743 457 HD22 ASN 60 2HD2 ASN 60 -6.604 1.602 -10.923 458 H GLN 61 H GLN 61 -1.424 2.951 -10.746 459 HA GLN 61 HA GLN 61 -2.108 1.278 -8.432 460 HB2 GLN 61 1HB GLN 61 -0.125 0.614 -10.603 461 HB3 GLN 61 2HB GLN 61 -0.866 -0.484 -9.445 462 HG2 GLN 61 1HG GLN 61 -3.079 0.098 -10.540 463 HG3 GLN 61 2HG GLN 61 -2.125 0.839 -11.823 464 HE21 GLN 61 1HE2 GLN 61 -0.030 -0.908 -12.021 465 HE22 GLN 61 2HE2 GLN 61 -0.601 -2.443 -12.570 466 H ILE 62 H ILE 62 -0.947 1.451 -6.640 467 HA ILE 62 HA ILE 62 1.397 3.115 -6.563 468 HB ILE 62 HB ILE 62 -0.113 1.574 -4.472 469 HG12 ILE 62 1HG1 ILE 62 0.517 4.521 -4.688 470 HG13 ILE 62 2HG1 ILE 62 -0.941 3.789 -5.347 471 HG21 ILE 62 1HG2 ILE 62 2.503 3.028 -4.149 472 HG22 ILE 62 2HG2 ILE 62 1.453 2.576 -2.808 473 HG23 ILE 62 3HG2 ILE 62 2.174 1.326 -3.823 474 HD11 ILE 62 1HD1 ILE 62 -1.056 2.891 -2.813 475 HD12 ILE 62 2HD1 ILE 62 -0.233 4.433 -2.573 476 HD13 ILE 62 3HD1 ILE 62 -1.806 4.388 -3.369 477 H LYS 63 H LYS 63 3.467 2.466 -5.759 478 HA LYS 63 HA LYS 63 4.080 -0.364 -6.309 479 HB2 LYS 63 1HB LYS 63 5.039 1.260 -7.938 480 HB3 LYS 63 2HB LYS 63 5.925 2.012 -6.618 481 HG2 LYS 63 1HG LYS 63 7.071 -0.146 -6.218 482 HG3 LYS 63 2HG LYS 63 6.252 -0.801 -7.638 483 HD2 LYS 63 1HD LYS 63 7.816 1.732 -7.882 484 HD3 LYS 63 2HD LYS 63 8.670 0.187 -7.836 485 HE2 LYS 63 1HE LYS 63 7.419 -0.603 -9.746 486 HE3 LYS 63 2HE LYS 63 6.442 0.864 -9.753 487 HZ1 LYS 63 1HZ LYS 63 8.118 1.057 -11.418 488 HZ2 LYS 63 2HZ LYS 63 9.346 0.656 -10.326 489 HZ3 LYS 63 3HZ LYS 63 8.517 2.122 -10.165 490 H ILE 64 H ILE 64 5.035 -1.526 -4.752 491 HA ILE 64 HA ILE 64 6.164 -0.093 -2.440 492 HB ILE 64 HB ILE 64 5.339 -2.348 -1.249 493 HG12 ILE 64 1HG1 ILE 64 3.224 -1.771 -3.335 494 HG13 ILE 64 2HG1 ILE 64 4.269 -3.186 -3.317 495 HG21 ILE 64 1HG2 ILE 64 3.318 -0.176 -1.595 496 HG22 ILE 64 2HG2 ILE 64 3.802 -1.039 -0.135 497 HG23 ILE 64 3HG2 ILE 64 4.869 0.178 -0.833 498 HD11 ILE 64 1HD1 ILE 64 2.822 -4.239 -2.027 499 HD12 ILE 64 2HD1 ILE 64 2.992 -2.991 -0.791 500 HD13 ILE 64 3HD1 ILE 64 1.773 -2.821 -2.053 501 H THR 65 H THR 65 8.231 -0.562 -2.152 502 HA THR 65 HA THR 65 9.199 -3.231 -2.946 503 HB THR 65 HB THR 65 10.757 -0.643 -3.110 504 HG1 THR 65 HG1 THR 65 8.962 -1.279 -4.730 505 HG21 THR 65 1HG2 THR 65 12.461 -1.971 -4.221 506 HG22 THR 65 2HG2 THR 65 11.467 -3.419 -4.065 507 HG23 THR 65 3HG2 THR 65 12.126 -2.642 -2.626 508 H GLY 66 H GLY 66 10.719 -4.225 -1.624 509 HA2 GLY 66 1HA GLY 66 12.306 -3.387 0.344 510 HA3 GLY 66 2HA GLY 66 10.736 -3.254 1.122 511 H THR 67 H THR 67 11.242 -4.819 2.667 512 HA THR 67 HA THR 67 12.064 -7.461 1.878 513 HB THR 67 HB THR 67 11.830 -8.042 4.249 514 HG1 THR 67 HG1 THR 67 10.454 -5.601 4.288 515 HG21 THR 67 1HG2 THR 67 13.803 -7.086 4.699 516 HG22 THR 67 2HG2 THR 67 13.113 -5.464 4.644 517 HG23 THR 67 3HG2 THR 67 13.635 -6.251 3.154 518 H LYS 68 H LYS 68 10.855 -9.334 1.878 519 HA LYS 68 HA LYS 68 8.340 -9.391 0.892 520 HB2 LYS 68 1HB LYS 68 10.037 -11.319 1.493 521 HB3 LYS 68 2HB LYS 68 9.031 -11.472 2.927 522 HG2 LYS 68 1HG LYS 68 7.962 -11.567 0.116 523 HG3 LYS 68 2HG LYS 68 8.421 -12.993 1.048 524 HD2 LYS 68 1HD LYS 68 6.816 -11.976 2.842 525 HD3 LYS 68 2HD LYS 68 6.144 -11.103 1.463 526 HE2 LYS 68 1HE LYS 68 6.530 -14.084 1.453 527 HE3 LYS 68 2HE LYS 68 5.062 -13.327 2.068 528 HZ1 LYS 68 1HZ LYS 68 4.436 -13.603 -0.069 529 HZ2 LYS 68 2HZ LYS 68 6.016 -13.570 -0.673 530 HZ3 LYS 68 3HZ LYS 68 5.234 -12.124 -0.272 531 H GLU 69 H GLU 69 9.210 -9.177 4.305 532 HA GLU 69 HA GLU 69 6.502 -9.343 5.230 533 HB2 GLU 69 1HB GLU 69 9.076 -8.530 6.580 534 HB3 GLU 69 2HB GLU 69 7.527 -8.566 7.410 535 HG2 GLU 69 1HG GLU 69 8.898 -10.579 7.792 536 HG3 GLU 69 2HG GLU 69 7.327 -10.926 7.071 537 H GLY 70 H GLY 70 8.827 -6.728 4.678 538 HA2 GLY 70 1HA GLY 70 7.318 -4.618 5.732 539 HA3 GLY 70 2HA GLY 70 8.542 -4.460 4.481 540 H ILE 71 H ILE 71 7.665 -5.469 2.284 541 HA ILE 71 HA ILE 71 5.784 -3.727 1.269 542 HB ILE 71 HB ILE 71 6.371 -6.510 0.252 543 HG12 ILE 71 1HG1 ILE 71 7.605 -3.885 -0.599 544 HG13 ILE 71 2HG1 ILE 71 8.356 -4.986 0.552 545 HG21 ILE 71 1HG2 ILE 71 5.815 -5.030 -1.938 546 HG22 ILE 71 2HG2 ILE 71 4.629 -6.019 -1.086 547 HG23 ILE 71 3HG2 ILE 71 4.731 -4.289 -0.760 548 HD11 ILE 71 1HD1 ILE 71 8.914 -5.006 -2.044 549 HD12 ILE 71 2HD1 ILE 71 8.954 -6.463 -1.049 550 HD13 ILE 71 3HD1 ILE 71 7.545 -6.119 -2.053 551 H GLU 72 H GLU 72 5.297 -6.942 2.644 552 HA GLU 72 HA GLU 72 2.605 -7.280 1.955 553 HB2 GLU 72 1HB GLU 72 4.389 -8.393 4.075 554 HB3 GLU 72 2HB GLU 72 2.658 -8.671 4.206 555 HG2 GLU 72 1HG GLU 72 2.643 -9.715 2.009 556 HG3 GLU 72 2HG GLU 72 4.371 -9.411 1.845 557 H LYS 73 H LYS 73 4.054 -5.928 4.909 558 HA LYS 73 HA LYS 73 1.707 -5.370 6.293 559 HB2 LYS 73 1HB LYS 73 4.447 -4.149 6.307 560 HB3 LYS 73 2HB LYS 73 3.163 -3.434 7.273 561 HG2 LYS 73 1HG LYS 73 2.988 -5.296 8.649 562 HG3 LYS 73 2HG LYS 73 3.788 -6.352 7.483 563 HD2 LYS 73 1HD LYS 73 5.901 -5.176 7.871 564 HD3 LYS 73 2HD LYS 73 5.099 -4.116 9.032 565 HE2 LYS 73 1HE LYS 73 4.639 -5.980 10.487 566 HE3 LYS 73 2HE LYS 73 5.269 -7.115 9.293 567 HZ1 LYS 73 1HZ LYS 73 6.691 -6.045 11.320 568 HZ2 LYS 73 2HZ LYS 73 7.131 -5.047 10.028 569 HZ3 LYS 73 3HZ LYS 73 7.360 -6.720 9.920 570 H ALA 74 H ALA 74 3.465 -3.382 3.941 571 HA ALA 74 HA ALA 74 1.705 -1.150 4.138 572 HB1 ALA 74 1HB ALA 74 3.566 -0.330 3.206 573 HB2 ALA 74 2HB ALA 74 4.042 -1.898 2.551 574 HB3 ALA 74 3HB ALA 74 2.879 -0.896 1.682 575 H ARG 75 H ARG 75 1.895 -3.965 2.021 576 HA ARG 75 HA ARG 75 -0.108 -3.110 0.198 577 HB2 ARG 75 1HB ARG 75 1.705 -5.038 0.061 578 HB3 ARG 75 2HB ARG 75 0.384 -6.011 0.693 579 HG2 ARG 75 1HG ARG 75 -0.923 -5.695 -1.201 580 HG3 ARG 75 2HG ARG 75 -0.009 -4.274 -1.709 581 HD2 ARG 75 1HD ARG 75 0.851 -5.805 -3.162 582 HD3 ARG 75 2HD ARG 75 1.964 -6.035 -1.813 583 HE ARG 75 HE ARG 75 -0.029 -7.893 -2.765 584 HH11 ARG 75 1HH1 ARG 75 2.033 -6.959 -0.121 585 HH12 ARG 75 2HH1 ARG 75 2.032 -8.531 0.607 586 HH21 ARG 75 1HH2 ARG 75 -0.039 -9.967 -1.817 587 HH22 ARG 75 2HH2 ARG 75 0.852 -10.242 -0.358 588 H HIS 76 H HIS 76 -0.162 -4.860 3.233 589 HA HIS 76 HA HIS 76 -2.891 -5.697 3.013 590 HB2 HIS 76 1HB HIS 76 -1.037 -6.741 4.458 591 HB3 HIS 76 2HB HIS 76 -1.363 -5.436 5.595 592 HD1 HIS 76 HD1 HIS 76 -2.881 -8.549 4.161 593 HD2 HIS 76 HD2 HIS 76 -3.720 -5.690 7.058 594 HE1 HIS 76 HE1 HIS 76 -4.807 -9.477 5.485 595 H GLU 77 H GLU 77 -1.215 -2.918 4.324 596 HA GLU 77 HA GLU 77 -3.533 -1.893 5.694 597 HB2 GLU 77 1HB GLU 77 -0.837 -0.684 5.068 598 HB3 GLU 77 2HB GLU 77 -2.093 0.157 5.967 599 HG2 GLU 77 1HG GLU 77 -0.904 -2.477 6.798 600 HG3 GLU 77 2HG GLU 77 -0.347 -0.909 7.377 601 H VAL 78 H VAL 78 -1.713 -1.014 2.769 602 HA VAL 78 HA VAL 78 -3.281 1.167 1.993 603 HB VAL 78 HB VAL 78 -1.071 0.554 1.001 604 HG11 VAL 78 1HG1 VAL 78 -2.589 -1.342 -0.766 605 HG12 VAL 78 2HG1 VAL 78 -0.843 -1.136 -0.610 606 HG13 VAL 78 3HG1 VAL 78 -1.764 -1.883 0.696 607 HG21 VAL 78 1HG2 VAL 78 -3.431 1.131 -0.765 608 HG22 VAL 78 2HG2 VAL 78 -2.242 2.258 -0.113 609 HG23 VAL 78 3HG2 VAL 78 -1.780 1.127 -1.383 610 H LEU 79 H LEU 79 -3.738 -2.279 1.538 611 HA LEU 79 HA LEU 79 -5.902 -1.983 -0.330 612 HB2 LEU 79 1HB LEU 79 -4.585 -4.238 1.091 613 HB3 LEU 79 2HB LEU 79 -6.211 -4.491 0.459 614 HG LEU 79 HG LEU 79 -3.892 -3.573 -1.234 615 HD11 LEU 79 1HD1 LEU 79 -3.411 -5.748 -1.821 616 HD12 LEU 79 2HD1 LEU 79 -4.973 -6.356 -1.275 617 HD13 LEU 79 3HD1 LEU 79 -3.741 -5.908 -0.096 618 HD21 LEU 79 1HD2 LEU 79 -5.951 -4.999 -2.604 619 HD22 LEU 79 2HD2 LEU 79 -5.401 -3.341 -2.841 620 HD23 LEU 79 3HD2 LEU 79 -6.676 -3.688 -1.672 621 H LEU 80 H LEU 80 -5.619 -2.809 3.111 622 HA LEU 80 HA LEU 80 -8.287 -3.293 3.677 623 HB2 LEU 80 1HB LEU 80 -5.964 -2.314 5.252 624 HB3 LEU 80 2HB LEU 80 -7.567 -2.196 5.977 625 HG LEU 80 HG LEU 80 -6.380 -4.769 4.949 626 HD11 LEU 80 1HD1 LEU 80 -6.113 -5.267 7.410 627 HD12 LEU 80 2HD1 LEU 80 -6.322 -3.539 7.692 628 HD13 LEU 80 3HD1 LEU 80 -4.967 -4.116 6.723 629 HD21 LEU 80 1HD2 LEU 80 -8.291 -5.762 5.559 630 HD22 LEU 80 2HD2 LEU 80 -8.983 -4.142 5.492 631 HD23 LEU 80 3HD2 LEU 80 -8.431 -4.803 7.033 632 H ILE 81 H ILE 81 -6.551 -0.212 3.563 633 HA ILE 81 HA ILE 81 -8.753 1.367 4.430 634 HB ILE 81 HB ILE 81 -6.326 2.215 2.842 635 HG12 ILE 81 1HG1 ILE 81 -6.659 2.679 5.778 636 HG13 ILE 81 2HG1 ILE 81 -6.142 1.089 5.225 637 HG21 ILE 81 1HG2 ILE 81 -7.059 4.372 4.304 638 HG22 ILE 81 2HG2 ILE 81 -7.539 4.095 2.630 639 HG23 ILE 81 3HG2 ILE 81 -8.633 3.663 3.944 640 HD11 ILE 81 1HD1 ILE 81 -4.749 3.721 4.885 641 HD12 ILE 81 2HD1 ILE 81 -4.177 2.267 5.707 642 HD13 ILE 81 3HD1 ILE 81 -4.316 2.291 3.949 643 H SER 82 H SER 82 -7.295 0.857 1.216 644 HA SER 82 HA SER 82 -9.121 2.373 -0.248 645 HB2 SER 82 1HB SER 82 -7.702 -0.124 -1.204 646 HB3 SER 82 2HB SER 82 -8.320 1.190 -2.205 647 HG SER 82 HG SER 82 -6.049 1.334 -1.805 648 H ALA 83 H ALA 83 -9.319 -0.900 0.969 649 HA ALA 83 HA ALA 83 -11.553 -1.722 -0.577 650 HB1 ALA 83 1HB ALA 83 -11.031 -2.851 2.134 651 HB2 ALA 83 2HB ALA 83 -11.514 -3.667 0.646 652 HB3 ALA 83 3HB ALA 83 -9.854 -3.109 0.847 653 H GLU 84 H GLU 84 -11.280 -0.555 2.780 654 HA GLU 84 HA GLU 84 -13.902 -0.655 3.558 655 HB2 GLU 84 1HB GLU 84 -11.631 1.151 4.226 656 HB3 GLU 84 2HB GLU 84 -13.235 1.623 4.768 657 HG2 GLU 84 1HG GLU 84 -12.034 -1.070 5.338 658 HG3 GLU 84 2HG GLU 84 -11.861 0.317 6.411 659 H GLN 85 H GLN 85 -12.332 1.873 1.640 660 HA GLN 85 HA GLN 85 -14.446 3.683 1.513 661 HB2 GLN 85 1HB GLN 85 -12.366 3.080 -0.596 662 HB3 GLN 85 2HB GLN 85 -13.382 4.514 -0.552 663 HG2 GLN 85 1HG GLN 85 -11.286 3.725 1.458 664 HG3 GLN 85 2HG GLN 85 -11.196 5.043 0.290 665 HE21 GLN 85 1HE2 GLN 85 -10.897 5.255 3.114 666 HE22 GLN 85 2HE2 GLN 85 -12.164 6.275 3.693 667 H ASP 86 H ASP 86 -13.744 0.851 -0.477 668 HA ASP 86 HA ASP 86 -15.745 1.239 -2.409 669 HB2 ASP 86 1HB ASP 86 -13.861 -0.385 -2.601 670 HB3 ASP 86 2HB ASP 86 -14.665 -1.401 -1.407 671 H LYS 87 H LYS 87 -15.834 -0.112 0.814 672 HA LYS 87 HA LYS 87 -18.620 -0.937 0.466 673 HB2 LYS 87 1HB LYS 87 -16.723 -2.292 1.678 674 HB3 LYS 87 2HB LYS 87 -17.111 -1.242 3.034 675 HG2 LYS 87 1HG LYS 87 -18.416 -3.124 3.402 676 HG3 LYS 87 2HG LYS 87 -19.538 -1.982 2.658 677 HD2 LYS 87 1HD LYS 87 -18.905 -3.098 0.440 678 HD3 LYS 87 2HD LYS 87 -18.208 -4.382 1.432 679 HE2 LYS 87 1HE LYS 87 -20.432 -5.030 0.859 680 HE3 LYS 87 2HE LYS 87 -20.423 -4.596 2.568 681 HZ1 LYS 87 1HZ LYS 87 -21.751 -3.299 0.333 682 HZ2 LYS 87 2HZ LYS 87 -21.064 -2.262 1.479 683 HZ3 LYS 87 3HZ LYS 87 -22.215 -3.406 1.957 684 H ARG 88 H ARG 88 -17.792 1.886 0.527 685 HA ARG 88 HA ARG 88 -18.314 3.114 2.978 686 HB2 ARG 88 1HB ARG 88 -18.844 5.131 1.643 687 HB3 ARG 88 2HB ARG 88 -17.355 4.350 1.131 688 HG2 ARG 88 1HG ARG 88 -18.781 3.196 -0.647 689 HG3 ARG 88 2HG ARG 88 -20.013 4.396 -0.250 690 HD2 ARG 88 1HD ARG 88 -18.257 6.159 -0.659 691 HD3 ARG 88 2HD ARG 88 -17.236 4.877 -1.310 692 HE ARG 88 HE ARG 88 -19.528 6.086 -2.571 693 HH11 ARG 88 1HH1 ARG 88 -17.431 3.309 -2.455 694 HH12 ARG 88 2HH1 ARG 88 -17.777 2.817 -4.080 695 HH21 ARG 88 1HH2 ARG 88 -19.991 5.449 -4.711 696 HH22 ARG 88 2HH2 ARG 88 -19.233 4.036 -5.362 697 H SER 89 H SER 89 -20.272 4.611 3.309 698 HA SER 89 HA SER 89 -22.754 3.231 2.542 699 HB2 SER 89 1HB SER 89 -21.919 4.128 5.302 700 HB3 SER 89 2HB SER 89 -23.596 3.780 4.881 701 HG SER 89 HG SER 89 -21.680 1.862 4.233 702 H GLY 90 H GLY 90 -21.400 6.189 3.989 703 HA2 GLY 90 1HA GLY 90 -23.184 7.767 2.295 704 HA3 GLY 90 2HA GLY 90 -23.325 7.990 4.032 705 HA PRO 91 HA PRO 91 -20.264 11.090 2.539 706 HB2 PRO 91 1HB PRO 91 -21.152 13.072 4.168 707 HB3 PRO 91 2HB PRO 91 -21.868 12.734 2.587 708 HG2 PRO 91 1HG PRO 91 -22.811 11.916 5.308 709 HG3 PRO 91 2HG PRO 91 -23.750 12.534 3.937 710 HD2 PRO 91 1HD PRO 91 -23.630 9.899 4.551 711 HD3 PRO 91 2HD PRO 91 -23.797 10.484 2.883 712 H SER 92 H SER 92 -18.527 10.006 3.503 713 HA SER 92 HA SER 92 -18.045 9.408 6.112 714 HB2 SER 92 1HB SER 92 -15.605 9.774 5.598 715 HB3 SER 92 2HB SER 92 -16.457 8.771 4.425 716 HG SER 92 HG SER 92 -16.421 11.497 3.916 717 H SER 93 H SER 93 -18.645 10.738 7.729 718 HA SER 93 HA SER 93 -17.952 13.560 7.654 719 HB2 SER 93 1HB SER 93 -20.153 13.030 8.486 720 HB3 SER 93 2HB SER 93 -19.488 11.901 9.664 721 HG SER 93 HG SER 93 -19.432 13.558 10.945 722 H GLY 94 H GLY 94 -15.901 14.036 8.133 723 HA2 GLY 94 1HA GLY 94 -14.198 14.439 9.703 724 HA3 GLY 94 2HA GLY 94 -14.855 13.157 10.712 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -16.108 -19.106 1.455 2 HA2 GLY 1 1HA GLY 1 -14.847 -18.785 4.070 3 HA3 GLY 1 2HA GLY 1 -15.441 -20.391 3.671 4 H SER 2 H SER 2 -12.727 -18.658 3.809 5 HA SER 2 HA SER 2 -11.493 -20.148 1.589 6 HB2 SER 2 1HB SER 2 -11.184 -17.276 2.365 7 HB3 SER 2 2HB SER 2 -9.797 -18.126 1.684 8 HG SER 2 HG SER 2 -11.221 -17.035 0.143 9 H SER 3 H SER 3 -8.973 -20.098 1.936 10 HA SER 3 HA SER 3 -8.491 -20.877 4.737 11 HB2 SER 3 1HB SER 3 -6.903 -22.510 3.950 12 HB3 SER 3 2HB SER 3 -8.396 -22.726 3.036 13 HG SER 3 HG SER 3 -7.300 -22.348 1.297 14 H GLY 4 H GLY 4 -6.292 -20.566 5.541 15 HA2 GLY 4 1HA GLY 4 -5.354 -17.934 4.989 16 HA3 GLY 4 2HA GLY 4 -4.597 -19.100 6.064 17 H SER 5 H SER 5 -2.694 -17.918 5.028 18 HA SER 5 HA SER 5 -2.029 -18.870 2.360 19 HB2 SER 5 1HB SER 5 -0.814 -16.886 4.257 20 HB3 SER 5 2HB SER 5 0.141 -17.521 2.917 21 HG SER 5 HG SER 5 -1.078 -15.544 2.485 22 H SER 6 H SER 6 -1.728 -21.075 2.656 23 HA SER 6 HA SER 6 -0.250 -22.297 4.678 24 HB2 SER 6 1HB SER 6 -1.761 -23.324 2.810 25 HB3 SER 6 2HB SER 6 -0.261 -23.407 1.888 26 HG SER 6 HG SER 6 -0.884 -25.285 3.268 27 H GLY 7 H GLY 7 1.873 -23.233 4.647 28 HA2 GLY 7 1HA GLY 7 4.129 -23.301 4.152 29 HA3 GLY 7 2HA GLY 7 3.779 -22.474 2.642 30 H ASP 8 H ASP 8 4.015 -21.897 6.141 31 HA ASP 8 HA ASP 8 4.584 -19.082 5.666 32 HB2 ASP 8 1HB ASP 8 4.443 -18.816 8.061 33 HB3 ASP 8 2HB ASP 8 3.081 -19.795 7.525 34 H ILE 9 H ILE 9 6.522 -20.646 4.543 35 HA ILE 9 HA ILE 9 8.750 -20.888 6.381 36 HB ILE 9 HB ILE 9 8.541 -21.374 3.410 37 HG12 ILE 9 1HG1 ILE 9 9.163 -23.753 4.453 38 HG13 ILE 9 2HG1 ILE 9 8.368 -23.059 5.860 39 HG21 ILE 9 1HG2 ILE 9 10.802 -22.495 3.772 40 HG22 ILE 9 2HG2 ILE 9 10.775 -20.732 3.723 41 HG23 ILE 9 3HG2 ILE 9 10.889 -21.569 5.271 42 HD11 ILE 9 1HD1 ILE 9 6.539 -23.949 4.914 43 HD12 ILE 9 2HD1 ILE 9 6.564 -22.468 3.956 44 HD13 ILE 9 3HD1 ILE 9 7.246 -23.955 3.299 45 H VAL 10 H VAL 10 10.658 -19.699 6.297 46 HA VAL 10 HA VAL 10 10.860 -17.445 4.475 47 HB VAL 10 HB VAL 10 9.533 -16.556 6.362 48 HG11 VAL 10 1HG1 VAL 10 11.135 -16.195 8.471 49 HG12 VAL 10 2HG1 VAL 10 10.050 -17.579 8.320 50 HG13 VAL 10 3HG1 VAL 10 11.757 -17.746 7.909 51 HG21 VAL 10 1HG2 VAL 10 11.110 -15.142 5.063 52 HG22 VAL 10 2HG2 VAL 10 10.841 -14.570 6.709 53 HG23 VAL 10 3HG2 VAL 10 12.328 -15.427 6.306 54 H ALA 11 H ALA 11 12.954 -16.501 4.416 55 HA ALA 11 HA ALA 11 15.069 -17.444 6.093 56 HB1 ALA 11 1HB ALA 11 15.391 -19.370 4.975 57 HB2 ALA 11 2HB ALA 11 14.542 -18.801 3.537 58 HB3 ALA 11 3HB ALA 11 16.218 -18.329 3.816 59 H ARG 12 H ARG 12 17.276 -16.786 5.013 60 HA ARG 12 HA ARG 12 17.226 -14.006 4.667 61 HB2 ARG 12 1HB ARG 12 19.177 -15.345 5.477 62 HB3 ARG 12 2HB ARG 12 19.431 -15.891 3.825 63 HG2 ARG 12 1HG ARG 12 19.311 -12.968 4.329 64 HG3 ARG 12 2HG ARG 12 20.755 -13.850 4.831 65 HD2 ARG 12 1HD ARG 12 19.657 -14.262 2.085 66 HD3 ARG 12 2HD ARG 12 20.594 -12.809 2.434 67 HE ARG 12 HE ARG 12 22.163 -14.798 3.381 68 HH11 ARG 12 1HH1 ARG 12 20.587 -14.241 0.327 69 HH12 ARG 12 2HH1 ARG 12 21.790 -15.079 -0.595 70 HH21 ARG 12 1HH2 ARG 12 23.753 -15.905 2.179 71 HH22 ARG 12 2HH2 ARG 12 23.591 -16.026 0.459 72 H LEU 13 H LEU 13 16.592 -12.857 2.975 73 HA LEU 13 HA LEU 13 16.161 -14.060 0.409 74 HB2 LEU 13 1HB LEU 13 15.437 -11.806 -0.266 75 HB3 LEU 13 2HB LEU 13 14.632 -12.382 1.192 76 HG LEU 13 HG LEU 13 16.560 -10.982 2.360 77 HD11 LEU 13 1HD1 LEU 13 17.745 -10.270 0.439 78 HD12 LEU 13 2HD1 LEU 13 16.861 -8.864 1.033 79 HD13 LEU 13 3HD1 LEU 13 16.265 -9.753 -0.369 80 HD21 LEU 13 1HD2 LEU 13 14.855 -9.698 3.012 81 HD22 LEU 13 2HD2 LEU 13 13.858 -10.689 1.946 82 HD23 LEU 13 3HD2 LEU 13 14.517 -9.159 1.366 83 H GLN 14 H GLN 14 17.074 -13.285 -1.597 84 HA GLN 14 HA GLN 14 19.909 -12.620 -1.289 85 HB2 GLN 14 1HB GLN 14 19.128 -14.654 -2.606 86 HB3 GLN 14 2HB GLN 14 18.530 -13.523 -3.813 87 HG2 GLN 14 1HG GLN 14 20.568 -13.950 -4.698 88 HG3 GLN 14 2HG GLN 14 20.999 -12.600 -3.649 89 HE21 GLN 14 1HE2 GLN 14 20.555 -16.112 -3.342 90 HE22 GLN 14 2HE2 GLN 14 22.013 -16.389 -2.458 91 H THR 15 H THR 15 17.018 -11.625 -3.077 92 HA THR 15 HA THR 15 18.308 -9.017 -3.540 93 HB THR 15 HB THR 15 16.864 -8.920 -5.663 94 HG1 THR 15 HG1 THR 15 16.133 -10.832 -6.460 95 HG21 THR 15 1HG2 THR 15 19.055 -10.977 -5.774 96 HG22 THR 15 2HG2 THR 15 19.391 -9.270 -5.483 97 HG23 THR 15 3HG2 THR 15 18.614 -9.774 -6.984 98 H GLN 16 H GLN 16 16.577 -7.339 -4.192 99 HA GLN 16 HA GLN 16 14.465 -7.492 -2.181 100 HB2 GLN 16 1HB GLN 16 15.538 -5.189 -3.814 101 HB3 GLN 16 2HB GLN 16 14.189 -5.048 -2.696 102 HG2 GLN 16 1HG GLN 16 16.733 -6.189 -1.679 103 HG3 GLN 16 2HG GLN 16 16.659 -4.455 -1.990 104 HE21 GLN 16 1HE2 GLN 16 14.870 -7.052 -0.377 105 HE22 GLN 16 2HE2 GLN 16 14.346 -6.096 0.963 106 H ALA 17 H ALA 17 12.317 -7.453 -2.631 107 HA ALA 17 HA ALA 17 11.577 -7.754 -5.458 108 HB1 ALA 17 1HB ALA 17 10.523 -9.551 -4.671 109 HB2 ALA 17 2HB ALA 17 10.718 -9.027 -2.997 110 HB3 ALA 17 3HB ALA 17 9.360 -8.435 -3.954 111 H SER 18 H SER 18 9.398 -6.904 -6.063 112 HA SER 18 HA SER 18 8.494 -4.590 -4.551 113 HB2 SER 18 1HB SER 18 8.585 -3.177 -6.672 114 HB3 SER 18 2HB SER 18 10.130 -3.496 -5.885 115 HG SER 18 HG SER 18 9.973 -5.448 -7.481 116 H ALA 19 H ALA 19 6.348 -4.347 -4.680 117 HA ALA 19 HA ALA 19 4.924 -5.700 -6.877 118 HB1 ALA 19 1HB ALA 19 4.244 -5.702 -3.945 119 HB2 ALA 19 2HB ALA 19 3.116 -6.197 -5.208 120 HB3 ALA 19 3HB ALA 19 4.621 -7.086 -4.971 121 H THR 20 H THR 20 2.505 -4.937 -6.826 122 HA THR 20 HA THR 20 2.338 -2.071 -6.234 123 HB THR 20 HB THR 20 1.104 -1.866 -8.510 124 HG1 THR 20 HG1 THR 20 1.869 -3.329 -10.075 125 HG21 THR 20 1HG2 THR 20 3.855 -1.580 -7.740 126 HG22 THR 20 2HG2 THR 20 2.904 -0.599 -8.854 127 HG23 THR 20 3HG2 THR 20 3.753 -2.028 -9.442 128 H VAL 21 H VAL 21 0.208 -1.265 -6.009 129 HA VAL 21 HA VAL 21 -1.883 -3.332 -5.813 130 HB VAL 21 HB VAL 21 -1.207 -2.814 -3.563 131 HG11 VAL 21 1HG1 VAL 21 -1.951 0.053 -3.788 132 HG12 VAL 21 2HG1 VAL 21 -0.791 -0.735 -2.717 133 HG13 VAL 21 3HG1 VAL 21 -0.378 -0.445 -4.407 134 HG21 VAL 21 1HG2 VAL 21 -3.301 -2.637 -2.745 135 HG22 VAL 21 2HG2 VAL 21 -3.639 -1.153 -3.637 136 HG23 VAL 21 3HG2 VAL 21 -3.758 -2.715 -4.447 137 H ALA 22 H ALA 22 -3.107 -2.868 -7.557 138 HA ALA 22 HA ALA 22 -3.548 -0.320 -8.641 139 HB1 ALA 22 1HB ALA 22 -5.175 -2.847 -8.865 140 HB2 ALA 22 2HB ALA 22 -5.453 -1.397 -9.830 141 HB3 ALA 22 3HB ALA 22 -3.929 -2.273 -9.974 142 H ILE 23 H ILE 23 -4.533 1.332 -7.692 143 HA ILE 23 HA ILE 23 -7.087 0.870 -6.339 144 HB ILE 23 HB ILE 23 -6.355 2.608 -4.604 145 HG12 ILE 23 1HG1 ILE 23 -3.600 1.606 -5.316 146 HG13 ILE 23 2HG1 ILE 23 -4.231 3.135 -5.917 147 HG21 ILE 23 1HG2 ILE 23 -5.850 -0.256 -4.753 148 HG22 ILE 23 2HG2 ILE 23 -4.839 0.567 -3.566 149 HG23 ILE 23 3HG2 ILE 23 -6.595 0.698 -3.471 150 HD11 ILE 23 1HD1 ILE 23 -2.802 2.838 -3.640 151 HD12 ILE 23 2HD1 ILE 23 -3.913 4.169 -3.961 152 HD13 ILE 23 3HD1 ILE 23 -4.451 2.779 -3.020 153 HA PRO 24 HA PRO 24 -8.419 4.469 -8.471 154 HB2 PRO 24 1HB PRO 24 -10.231 5.486 -6.724 155 HB3 PRO 24 2HB PRO 24 -10.526 4.023 -7.670 156 HG2 PRO 24 1HG PRO 24 -9.642 4.292 -4.822 157 HG3 PRO 24 2HG PRO 24 -10.840 3.187 -5.523 158 HD2 PRO 24 1HD PRO 24 -8.315 2.411 -4.929 159 HD3 PRO 24 2HD PRO 24 -9.231 1.723 -6.286 160 H LYS 25 H LYS 25 -8.008 6.639 -8.661 161 HA LYS 25 HA LYS 25 -5.948 7.783 -7.174 162 HB2 LYS 25 1HB LYS 25 -7.028 8.405 -9.508 163 HB3 LYS 25 2HB LYS 25 -7.939 9.549 -8.530 164 HG2 LYS 25 1HG LYS 25 -6.127 10.797 -9.226 165 HG3 LYS 25 2HG LYS 25 -5.630 10.258 -7.621 166 HD2 LYS 25 1HD LYS 25 -4.574 8.262 -8.917 167 HD3 LYS 25 2HD LYS 25 -4.687 9.342 -10.308 168 HE2 LYS 25 1HE LYS 25 -2.513 9.597 -9.338 169 HE3 LYS 25 2HE LYS 25 -3.444 11.053 -8.989 170 HZ1 LYS 25 1HZ LYS 25 -2.193 10.257 -7.060 171 HZ2 LYS 25 2HZ LYS 25 -3.047 8.799 -7.099 172 HZ3 LYS 25 3HZ LYS 25 -3.860 10.246 -6.771 173 H GLU 26 H GLU 26 -9.182 7.371 -6.326 174 HA GLU 26 HA GLU 26 -9.415 9.705 -4.648 175 HB2 GLU 26 1HB GLU 26 -11.515 9.098 -5.327 176 HB3 GLU 26 2HB GLU 26 -11.132 7.382 -5.344 177 HG2 GLU 26 1HG GLU 26 -11.578 7.117 -3.108 178 HG3 GLU 26 2HG GLU 26 -11.283 8.815 -2.737 179 H HIS 27 H HIS 27 -8.229 6.486 -4.348 180 HA HIS 27 HA HIS 27 -8.326 6.536 -1.436 181 HB2 HIS 27 1HB HIS 27 -7.346 4.450 -3.393 182 HB3 HIS 27 2HB HIS 27 -7.277 4.264 -1.643 183 HD1 HIS 27 HD1 HIS 27 -8.852 2.168 -2.949 184 HD2 HIS 27 HD2 HIS 27 -10.544 5.835 -1.976 185 HE1 HIS 27 HE1 HIS 27 -11.329 1.755 -2.832 186 H HIS 28 H HIS 28 -6.061 6.939 -4.060 187 HA HIS 28 HA HIS 28 -3.623 6.579 -2.867 188 HB2 HIS 28 1HB HIS 28 -4.574 8.557 -4.916 189 HB3 HIS 28 2HB HIS 28 -2.908 8.599 -4.346 190 HD2 HIS 28 HD2 HIS 28 -4.999 5.403 -5.396 191 HE1 HIS 28 HE1 HIS 28 -1.436 5.605 -7.690 192 HE2 HIS 28 HE2 HIS 28 -3.552 4.315 -7.243 193 H ARG 29 H ARG 29 -5.687 9.458 -2.678 194 HA ARG 29 HA ARG 29 -3.925 11.036 -1.156 195 HB2 ARG 29 1HB ARG 29 -5.784 12.477 -0.755 196 HB3 ARG 29 2HB ARG 29 -5.967 11.840 -2.384 197 HG2 ARG 29 1HG ARG 29 -7.563 10.164 -1.493 198 HG3 ARG 29 2HG ARG 29 -7.443 10.949 0.082 199 HD2 ARG 29 1HD ARG 29 -9.416 11.699 -1.166 200 HD3 ARG 29 2HD ARG 29 -8.289 13.021 -0.863 201 HE ARG 29 HE ARG 29 -8.983 11.868 -3.426 202 HH11 ARG 29 1HH1 ARG 29 -6.770 13.860 -1.623 203 HH12 ARG 29 2HH1 ARG 29 -6.177 14.694 -3.022 204 HH21 ARG 29 1HH2 ARG 29 -8.210 12.958 -5.274 205 HH22 ARG 29 2HH2 ARG 29 -6.998 14.181 -5.098 206 H PHE 30 H PHE 30 -6.434 8.733 -0.226 207 HA PHE 30 HA PHE 30 -6.414 9.249 2.536 208 HB2 PHE 30 1HB PHE 30 -7.289 6.967 0.820 209 HB3 PHE 30 2HB PHE 30 -7.168 6.710 2.558 210 HD1 PHE 30 HD1 PHE 30 -8.333 8.559 4.025 211 HD2 PHE 30 HD2 PHE 30 -9.273 7.734 -0.043 212 HE1 PHE 30 HE1 PHE 30 -10.549 9.584 4.333 213 HE2 PHE 30 HE2 PHE 30 -11.489 8.758 0.258 214 HZ PHE 30 HZ PHE 30 -12.130 9.686 2.447 215 H VAL 31 H VAL 31 -4.313 7.362 0.496 216 HA VAL 31 HA VAL 31 -3.036 5.959 2.655 217 HB VAL 31 HB VAL 31 -2.200 6.306 -0.227 218 HG11 VAL 31 1HG1 VAL 31 -0.932 4.082 0.549 219 HG12 VAL 31 2HG1 VAL 31 -0.200 5.686 0.640 220 HG13 VAL 31 3HG1 VAL 31 -0.923 4.963 2.077 221 HG21 VAL 31 1HG2 VAL 31 -3.489 3.964 1.171 222 HG22 VAL 31 2HG2 VAL 31 -4.317 5.089 0.097 223 HG23 VAL 31 3HG2 VAL 31 -3.041 4.049 -0.533 224 H ILE 32 H ILE 32 -2.363 8.829 0.722 225 HA ILE 32 HA ILE 32 0.257 9.258 1.747 226 HB ILE 32 HB ILE 32 -1.652 11.191 0.431 227 HG12 ILE 32 1HG1 ILE 32 0.773 9.855 -0.766 228 HG13 ILE 32 2HG1 ILE 32 -0.838 9.151 -0.869 229 HG21 ILE 32 1HG2 ILE 32 -0.037 12.417 1.732 230 HG22 ILE 32 2HG2 ILE 32 1.283 11.462 1.057 231 HG23 ILE 32 3HG2 ILE 32 0.369 12.559 0.021 232 HD11 ILE 32 1HD1 ILE 32 -1.028 10.295 -2.764 233 HD12 ILE 32 2HD1 ILE 32 -1.236 11.719 -1.743 234 HD13 ILE 32 3HD1 ILE 32 0.357 11.320 -2.386 235 H GLY 33 H GLY 33 -2.958 10.430 2.631 236 HA2 GLY 33 1HA GLY 33 -3.370 10.806 5.012 237 HA3 GLY 33 2HA GLY 33 -1.766 11.519 5.105 238 H LYS 34 H LYS 34 -4.586 12.511 5.668 239 HA LYS 34 HA LYS 34 -5.653 14.328 4.036 240 HB2 LYS 34 1HB LYS 34 -5.934 13.920 6.638 241 HB3 LYS 34 2HB LYS 34 -4.939 15.366 6.743 242 HG2 LYS 34 1HG LYS 34 -6.561 16.717 5.858 243 HG3 LYS 34 2HG LYS 34 -7.326 15.399 4.966 244 HD2 LYS 34 1HD LYS 34 -8.407 14.582 6.876 245 HD3 LYS 34 2HD LYS 34 -7.345 15.475 7.967 246 HE2 LYS 34 1HE LYS 34 -8.335 17.585 6.963 247 HE3 LYS 34 2HE LYS 34 -9.550 16.545 6.222 248 HZ1 LYS 34 1HZ LYS 34 -10.672 16.744 8.110 249 HZ2 LYS 34 2HZ LYS 34 -9.375 17.483 8.905 250 HZ3 LYS 34 3HZ LYS 34 -9.487 15.796 8.857 251 H ASN 35 H ASN 35 -2.674 14.914 5.886 252 HA ASN 35 HA ASN 35 -2.145 17.234 4.152 253 HB2 ASN 35 1HB ASN 35 -1.554 16.655 7.011 254 HB3 ASN 35 2HB ASN 35 -0.368 17.601 6.116 255 HD21 ASN 35 1HD2 ASN 35 -3.729 17.447 7.110 256 HD22 ASN 35 2HD2 ASN 35 -4.032 19.145 7.005 257 H GLY 36 H GLY 36 -0.891 14.202 5.357 258 HA2 GLY 36 1HA GLY 36 0.556 13.138 3.548 259 HA3 GLY 36 2HA GLY 36 1.542 14.581 3.732 260 H GLU 37 H GLU 37 -0.041 12.523 6.160 261 HA GLU 37 HA GLU 37 2.625 12.006 7.305 262 HB2 GLU 37 1HB GLU 37 1.520 11.934 9.526 263 HB3 GLU 37 2HB GLU 37 1.426 13.513 8.758 264 HG2 GLU 37 1HG GLU 37 -0.827 13.392 8.455 265 HG3 GLU 37 2HG GLU 37 -0.831 11.633 8.347 266 H LYS 38 H LYS 38 -0.012 10.646 5.828 267 HA LYS 38 HA LYS 38 -0.040 8.154 7.299 268 HB2 LYS 38 1HB LYS 38 -2.096 9.078 6.263 269 HB3 LYS 38 2HB LYS 38 -1.369 8.862 4.676 270 HG2 LYS 38 1HG LYS 38 -2.688 6.990 4.853 271 HG3 LYS 38 2HG LYS 38 -1.129 6.383 5.416 272 HD2 LYS 38 1HD LYS 38 -1.949 6.982 7.764 273 HD3 LYS 38 2HD LYS 38 -3.551 7.124 7.034 274 HE2 LYS 38 1HE LYS 38 -3.606 4.932 7.677 275 HE3 LYS 38 2HE LYS 38 -2.932 4.753 6.057 276 HZ1 LYS 38 1HZ LYS 38 -0.761 5.159 7.671 277 HZ2 LYS 38 2HZ LYS 38 -1.266 3.679 7.027 278 HZ3 LYS 38 3HZ LYS 38 -1.755 4.135 8.580 279 H LEU 39 H LEU 39 1.550 9.500 4.541 280 HA LEU 39 HA LEU 39 2.355 6.926 3.480 281 HB2 LEU 39 1HB LEU 39 2.081 8.419 1.760 282 HB3 LEU 39 2HB LEU 39 2.714 9.774 2.692 283 HG LEU 39 HG LEU 39 4.998 8.716 2.442 284 HD11 LEU 39 1HD1 LEU 39 3.357 6.865 0.796 285 HD12 LEU 39 2HD1 LEU 39 4.760 6.536 1.814 286 HD13 LEU 39 3HD1 LEU 39 4.974 7.280 0.229 287 HD21 LEU 39 1HD2 LEU 39 4.826 10.548 1.108 288 HD22 LEU 39 2HD2 LEU 39 3.372 9.963 0.298 289 HD23 LEU 39 3HD2 LEU 39 4.951 9.314 -0.146 290 H GLN 40 H GLN 40 3.906 9.702 5.066 291 HA GLN 40 HA GLN 40 6.515 8.679 5.097 292 HB2 GLN 40 1HB GLN 40 7.055 10.482 6.412 293 HB3 GLN 40 2HB GLN 40 5.540 11.049 5.720 294 HG2 GLN 40 1HG GLN 40 4.348 10.449 7.722 295 HG3 GLN 40 2HG GLN 40 5.800 9.725 8.410 296 HE21 GLN 40 1HE2 GLN 40 6.619 10.941 9.942 297 HE22 GLN 40 2HE2 GLN 40 6.696 12.666 9.951 298 H ASP 41 H ASP 41 3.875 8.385 7.436 299 HA ASP 41 HA ASP 41 5.356 6.992 9.401 300 HB2 ASP 41 1HB ASP 41 3.006 8.163 9.515 301 HB3 ASP 41 2HB ASP 41 2.412 6.567 9.066 302 H LEU 42 H LEU 42 3.402 5.931 6.662 303 HA LEU 42 HA LEU 42 3.442 3.172 7.257 304 HB2 LEU 42 1HB LEU 42 2.856 4.833 4.868 305 HB3 LEU 42 2HB LEU 42 3.174 3.118 4.612 306 HG LEU 42 HG LEU 42 1.026 4.214 6.424 307 HD11 LEU 42 1HD1 LEU 42 0.978 4.397 3.738 308 HD12 LEU 42 2HD1 LEU 42 -0.457 4.157 4.733 309 HD13 LEU 42 3HD1 LEU 42 0.317 2.777 3.955 310 HD21 LEU 42 1HD2 LEU 42 2.179 1.597 6.055 311 HD22 LEU 42 2HD2 LEU 42 0.464 1.597 5.643 312 HD23 LEU 42 3HD2 LEU 42 0.989 2.145 7.235 313 H GLU 43 H GLU 43 5.397 5.067 4.951 314 HA GLU 43 HA GLU 43 7.049 3.100 4.000 315 HB2 GLU 43 1HB GLU 43 7.467 6.016 4.526 316 HB3 GLU 43 2HB GLU 43 8.828 5.034 4.002 317 HG2 GLU 43 1HG GLU 43 7.637 4.401 1.992 318 HG3 GLU 43 2HG GLU 43 6.218 5.300 2.526 319 H LEU 44 H LEU 44 7.060 4.571 7.150 320 HA LEU 44 HA LEU 44 9.632 3.424 7.861 321 HB2 LEU 44 1HB LEU 44 7.673 5.241 9.177 322 HB3 LEU 44 2HB LEU 44 8.817 4.356 10.183 323 HG LEU 44 HG LEU 44 9.528 6.292 7.980 324 HD11 LEU 44 1HD1 LEU 44 10.543 7.427 10.124 325 HD12 LEU 44 2HD1 LEU 44 9.256 6.532 10.932 326 HD13 LEU 44 3HD1 LEU 44 8.861 7.689 9.661 327 HD21 LEU 44 1HD2 LEU 44 11.146 4.481 9.722 328 HD22 LEU 44 2HD2 LEU 44 11.815 6.021 9.182 329 HD23 LEU 44 3HD2 LEU 44 11.306 4.817 7.998 330 H LYS 45 H LYS 45 6.344 3.247 9.239 331 HA LYS 45 HA LYS 45 6.689 1.161 10.977 332 HB2 LYS 45 1HB LYS 45 4.595 2.549 10.568 333 HB3 LYS 45 2HB LYS 45 4.229 1.438 9.253 334 HG2 LYS 45 1HG LYS 45 4.386 -0.418 10.974 335 HG3 LYS 45 2HG LYS 45 4.376 0.856 12.194 336 HD2 LYS 45 1HD LYS 45 2.268 0.811 10.075 337 HD3 LYS 45 2HD LYS 45 2.139 -0.273 11.463 338 HE2 LYS 45 1HE LYS 45 2.633 1.940 12.804 339 HE3 LYS 45 2HE LYS 45 2.000 2.700 11.345 340 HZ1 LYS 45 1HZ LYS 45 0.507 0.520 12.648 341 HZ2 LYS 45 2HZ LYS 45 -0.069 1.759 11.650 342 HZ3 LYS 45 3HZ LYS 45 0.390 2.100 13.241 343 H THR 46 H THR 46 6.304 1.019 7.492 344 HA THR 46 HA THR 46 6.381 -1.910 7.564 345 HB THR 46 HB THR 46 5.696 -1.901 5.276 346 HG1 THR 46 HG1 THR 46 5.854 0.937 5.243 347 HG21 THR 46 1HG2 THR 46 3.642 -0.401 5.372 348 HG22 THR 46 2HG2 THR 46 4.231 0.127 6.950 349 HG23 THR 46 3HG2 THR 46 3.826 -1.569 6.681 350 H ALA 47 H ALA 47 8.345 0.830 6.921 351 HA ALA 47 HA ALA 47 10.521 1.068 6.298 352 HB1 ALA 47 1HB ALA 47 11.945 -0.424 7.192 353 HB2 ALA 47 2HB ALA 47 10.481 -1.141 7.865 354 HB3 ALA 47 3HB ALA 47 11.180 -1.793 6.384 355 H THR 48 H THR 48 8.535 0.658 4.274 356 HA THR 48 HA THR 48 10.124 -0.701 2.197 357 HB THR 48 HB THR 48 8.031 -0.984 0.932 358 HG1 THR 48 HG1 THR 48 6.285 0.035 1.549 359 HG21 THR 48 1HG2 THR 48 7.147 -2.788 2.204 360 HG22 THR 48 2HG2 THR 48 7.672 -2.063 3.723 361 HG23 THR 48 3HG2 THR 48 8.864 -2.700 2.590 362 H LYS 49 H LYS 49 9.333 0.216 -0.080 363 HA LYS 49 HA LYS 49 9.660 3.138 0.082 364 HB2 LYS 49 1HB LYS 49 10.763 1.067 -1.745 365 HB3 LYS 49 2HB LYS 49 10.380 2.634 -2.445 366 HG2 LYS 49 1HG LYS 49 12.040 2.442 0.035 367 HG3 LYS 49 2HG LYS 49 12.760 2.202 -1.559 368 HD2 LYS 49 1HD LYS 49 11.141 4.629 -0.801 369 HD3 LYS 49 2HD LYS 49 12.900 4.546 -0.674 370 HE2 LYS 49 1HE LYS 49 12.721 5.463 -2.753 371 HE3 LYS 49 2HE LYS 49 12.675 3.757 -3.190 372 HZ1 LYS 49 1HZ LYS 49 10.067 4.509 -2.632 373 HZ2 LYS 49 2HZ LYS 49 10.729 4.137 -4.143 374 HZ3 LYS 49 3HZ LYS 49 10.709 5.740 -3.599 375 H ILE 50 H ILE 50 7.604 3.895 0.006 376 HA ILE 50 HA ILE 50 5.707 2.808 -1.907 377 HB ILE 50 HB ILE 50 5.398 5.060 0.082 378 HG12 ILE 50 1HG1 ILE 50 4.240 2.273 0.195 379 HG13 ILE 50 2HG1 ILE 50 5.750 2.716 0.984 380 HG21 ILE 50 1HG2 ILE 50 2.903 3.995 -0.635 381 HG22 ILE 50 2HG2 ILE 50 3.542 5.595 -1.008 382 HG23 ILE 50 3HG2 ILE 50 3.778 4.265 -2.143 383 HD11 ILE 50 1HD1 ILE 50 3.028 3.137 1.837 384 HD12 ILE 50 2HD1 ILE 50 4.531 3.253 2.752 385 HD13 ILE 50 3HD1 ILE 50 3.950 4.640 1.831 386 H GLN 51 H GLN 51 5.682 3.503 -3.933 387 HA GLN 51 HA GLN 51 6.450 6.295 -4.475 388 HB2 GLN 51 1HB GLN 51 7.780 4.209 -5.424 389 HB3 GLN 51 2HB GLN 51 6.497 4.229 -6.626 390 HG2 GLN 51 1HG GLN 51 7.048 6.610 -7.082 391 HG3 GLN 51 2HG GLN 51 8.426 6.447 -5.994 392 HE21 GLN 51 1HE2 GLN 51 8.719 7.188 -8.636 393 HE22 GLN 51 2HE2 GLN 51 9.534 5.928 -9.493 394 H ILE 52 H ILE 52 4.649 7.454 -4.717 395 HA ILE 52 HA ILE 52 2.340 6.264 -6.070 396 HB ILE 52 HB ILE 52 2.560 8.857 -4.536 397 HG12 ILE 52 1HG1 ILE 52 1.017 6.403 -3.726 398 HG13 ILE 52 2HG1 ILE 52 2.713 6.598 -3.298 399 HG21 ILE 52 1HG2 ILE 52 0.294 9.218 -4.881 400 HG22 ILE 52 2HG2 ILE 52 0.840 8.629 -6.451 401 HG23 ILE 52 3HG2 ILE 52 -0.004 7.544 -5.346 402 HD11 ILE 52 1HD1 ILE 52 0.390 8.303 -2.462 403 HD12 ILE 52 2HD1 ILE 52 1.450 7.326 -1.446 404 HD13 ILE 52 3HD1 ILE 52 2.071 8.779 -2.228 405 HA PRO 53 HA PRO 53 3.203 8.444 -9.808 406 HB2 PRO 53 1HB PRO 53 0.734 8.284 -10.924 407 HB3 PRO 53 2HB PRO 53 1.838 6.907 -10.832 408 HG2 PRO 53 1HG PRO 53 -0.482 7.599 -9.070 409 HG3 PRO 53 2HG PRO 53 -0.010 6.022 -9.730 410 HD2 PRO 53 1HD PRO 53 0.543 6.760 -7.184 411 HD3 PRO 53 2HD PRO 53 1.606 5.691 -8.121 412 H ARG 54 H ARG 54 2.706 10.406 -10.895 413 HA ARG 54 HA ARG 54 2.139 12.589 -9.291 414 HB2 ARG 54 1HB ARG 54 2.241 12.146 -12.239 415 HB3 ARG 54 2HB ARG 54 1.573 13.662 -11.648 416 HG2 ARG 54 1HG ARG 54 3.604 14.263 -10.606 417 HG3 ARG 54 2HG ARG 54 4.267 12.640 -10.805 418 HD2 ARG 54 1HD ARG 54 3.929 13.094 -13.338 419 HD3 ARG 54 2HD ARG 54 3.861 14.786 -12.850 420 HE ARG 54 HE ARG 54 6.185 13.108 -12.949 421 HH11 ARG 54 1HH1 ARG 54 4.748 15.900 -11.445 422 HH12 ARG 54 2HH1 ARG 54 6.268 16.622 -11.035 423 HH21 ARG 54 1HH2 ARG 54 8.192 14.050 -12.414 424 HH22 ARG 54 2HH2 ARG 54 8.226 15.571 -11.587 425 HA PRO 55 HA PRO 55 -2.220 12.955 -8.952 426 HB2 PRO 55 1HB PRO 55 -2.603 15.632 -9.200 427 HB3 PRO 55 2HB PRO 55 -1.870 14.894 -7.770 428 HG2 PRO 55 1HG PRO 55 -0.549 16.231 -10.100 429 HG3 PRO 55 2HG PRO 55 -0.183 16.377 -8.372 430 HD2 PRO 55 1HD PRO 55 1.267 14.814 -10.041 431 HD3 PRO 55 2HD PRO 55 1.016 14.410 -8.330 432 H ASP 56 H ASP 56 -0.645 13.719 -11.845 433 HA ASP 56 HA ASP 56 -3.223 13.797 -13.267 434 HB2 ASP 56 1HB ASP 56 -2.049 15.200 -15.007 435 HB3 ASP 56 2HB ASP 56 -2.326 16.002 -13.464 436 H ASP 57 H ASP 57 -1.146 11.678 -12.560 437 HA ASP 57 HA ASP 57 -0.258 10.849 -15.211 438 HB2 ASP 57 1HB ASP 57 1.052 10.687 -12.912 439 HB3 ASP 57 2HB ASP 57 0.175 9.165 -12.784 440 HA PRO 58 HA PRO 58 -3.674 8.148 -15.874 441 HB2 PRO 58 1HB PRO 58 -2.540 6.495 -17.705 442 HB3 PRO 58 2HB PRO 58 -3.043 8.146 -18.083 443 HG2 PRO 58 1HG PRO 58 -0.314 7.098 -17.440 444 HG3 PRO 58 2HG PRO 58 -0.801 8.256 -18.692 445 HD2 PRO 58 1HD PRO 58 0.302 9.028 -16.342 446 HD3 PRO 58 2HD PRO 58 -0.896 10.015 -17.205 447 H SER 59 H SER 59 -0.960 7.344 -14.175 448 HA SER 59 HA SER 59 -1.672 4.509 -13.911 449 HB2 SER 59 1HB SER 59 0.812 6.088 -13.410 450 HB3 SER 59 2HB SER 59 0.535 4.644 -12.436 451 HG SER 59 HG SER 59 0.460 4.706 -15.273 452 H ASN 60 H ASN 60 -2.908 3.910 -12.271 453 HA ASN 60 HA ASN 60 -2.952 5.590 -9.852 454 HB2 ASN 60 1HB ASN 60 -5.264 4.778 -9.500 455 HB3 ASN 60 2HB ASN 60 -5.089 5.661 -11.013 456 HD21 ASN 60 1HD2 ASN 60 -6.465 3.045 -9.659 457 HD22 ASN 60 2HD2 ASN 60 -6.622 2.031 -11.050 458 H GLN 61 H GLN 61 -1.171 3.326 -10.486 459 HA GLN 61 HA GLN 61 -2.010 1.458 -8.368 460 HB2 GLN 61 1HB GLN 61 -0.514 -0.194 -9.445 461 HB3 GLN 61 2HB GLN 61 -1.818 0.331 -10.501 462 HG2 GLN 61 1HG GLN 61 -0.030 2.053 -11.336 463 HG3 GLN 61 2HG GLN 61 1.100 0.872 -10.675 464 HE21 GLN 61 1HE2 GLN 61 0.146 -1.493 -11.274 465 HE22 GLN 61 2HE2 GLN 61 -0.066 -1.702 -12.975 466 H ILE 62 H ILE 62 -0.946 1.687 -6.527 467 HA ILE 62 HA ILE 62 1.448 3.244 -6.338 468 HB ILE 62 HB ILE 62 -0.172 1.686 -4.347 469 HG12 ILE 62 1HG1 ILE 62 0.585 4.611 -4.487 470 HG13 ILE 62 2HG1 ILE 62 -0.913 3.943 -5.124 471 HG21 ILE 62 1HG2 ILE 62 2.515 2.973 -3.916 472 HG22 ILE 62 2HG2 ILE 62 1.396 2.598 -2.606 473 HG23 ILE 62 3HG2 ILE 62 2.051 1.301 -3.605 474 HD11 ILE 62 1HD1 ILE 62 -1.714 4.552 -3.121 475 HD12 ILE 62 2HD1 ILE 62 -1.011 3.021 -2.598 476 HD13 ILE 62 3HD1 ILE 62 -0.124 4.526 -2.358 477 H LYS 63 H LYS 63 3.508 2.565 -5.681 478 HA LYS 63 HA LYS 63 4.070 -0.273 -6.235 479 HB2 LYS 63 1HB LYS 63 5.087 1.365 -7.804 480 HB3 LYS 63 2HB LYS 63 5.949 2.088 -6.453 481 HG2 LYS 63 1HG LYS 63 7.579 0.720 -7.233 482 HG3 LYS 63 2HG LYS 63 6.783 -0.403 -6.129 483 HD2 LYS 63 1HD LYS 63 5.869 -1.635 -7.822 484 HD3 LYS 63 2HD LYS 63 5.776 -0.257 -8.921 485 HE2 LYS 63 1HE LYS 63 8.453 -1.296 -8.112 486 HE3 LYS 63 2HE LYS 63 7.517 -2.185 -9.313 487 HZ1 LYS 63 1HZ LYS 63 7.981 -0.675 -10.857 488 HZ2 LYS 63 2HZ LYS 63 9.133 -0.040 -9.794 489 HZ3 LYS 63 3HZ LYS 63 7.577 0.621 -9.848 490 H ILE 64 H ILE 64 5.134 -1.487 -4.762 491 HA ILE 64 HA ILE 64 6.183 -0.144 -2.364 492 HB ILE 64 HB ILE 64 5.345 -2.451 -1.276 493 HG12 ILE 64 1HG1 ILE 64 3.239 -1.769 -3.340 494 HG13 ILE 64 2HG1 ILE 64 4.288 -3.182 -3.397 495 HG21 ILE 64 1HG2 ILE 64 3.246 -0.375 -1.471 496 HG22 ILE 64 2HG2 ILE 64 3.952 -1.147 -0.052 497 HG23 ILE 64 3HG2 ILE 64 4.829 0.136 -0.885 498 HD11 ILE 64 1HD1 ILE 64 1.801 -2.834 -2.049 499 HD12 ILE 64 2HD1 ILE 64 2.781 -4.289 -2.225 500 HD13 ILE 64 3HD1 ILE 64 3.062 -3.196 -0.871 501 H THR 65 H THR 65 8.216 -0.678 -1.952 502 HA THR 65 HA THR 65 9.198 -3.314 -2.820 503 HB THR 65 HB THR 65 10.774 -0.742 -3.018 504 HG1 THR 65 HG1 THR 65 9.147 -2.117 -4.822 505 HG21 THR 65 1HG2 THR 65 11.547 -3.280 -4.370 506 HG22 THR 65 2HG2 THR 65 11.852 -3.129 -2.639 507 HG23 THR 65 3HG2 THR 65 12.560 -1.970 -3.762 508 H GLY 66 H GLY 66 10.628 -4.338 -1.461 509 HA2 GLY 66 1HA GLY 66 12.281 -3.476 0.462 510 HA3 GLY 66 2HA GLY 66 10.721 -3.307 1.254 511 H THR 67 H THR 67 11.233 -4.853 2.820 512 HA THR 67 HA THR 67 12.030 -7.511 2.091 513 HB THR 67 HB THR 67 11.300 -7.910 4.595 514 HG1 THR 67 HG1 THR 67 10.860 -6.141 5.693 515 HG21 THR 67 1HG2 THR 67 13.690 -6.558 3.454 516 HG22 THR 67 2HG2 THR 67 13.556 -8.112 4.278 517 HG23 THR 67 3HG2 THR 67 13.534 -6.614 5.209 518 H LYS 68 H LYS 68 10.815 -9.375 2.070 519 HA LYS 68 HA LYS 68 8.316 -9.432 1.043 520 HB2 LYS 68 1HB LYS 68 9.903 -11.384 1.495 521 HB3 LYS 68 2HB LYS 68 9.175 -11.468 3.093 522 HG2 LYS 68 1HG LYS 68 7.924 -13.012 1.967 523 HG3 LYS 68 2HG LYS 68 6.938 -11.566 1.741 524 HD2 LYS 68 1HD LYS 68 7.935 -11.221 -0.461 525 HD3 LYS 68 2HD LYS 68 8.952 -12.645 -0.233 526 HE2 LYS 68 1HE LYS 68 5.937 -12.669 -0.241 527 HE3 LYS 68 2HE LYS 68 6.945 -13.068 -1.631 528 HZ1 LYS 68 1HZ LYS 68 7.620 -15.024 -0.699 529 HZ2 LYS 68 2HZ LYS 68 6.060 -14.925 -0.054 530 HZ3 LYS 68 3HZ LYS 68 7.395 -14.495 0.892 531 H GLU 69 H GLU 69 9.150 -9.047 4.430 532 HA GLU 69 HA GLU 69 6.427 -9.267 5.340 533 HB2 GLU 69 1HB GLU 69 8.963 -8.378 6.717 534 HB3 GLU 69 2HB GLU 69 7.401 -8.477 7.520 535 HG2 GLU 69 1HG GLU 69 8.489 -10.865 6.106 536 HG3 GLU 69 2HG GLU 69 9.096 -10.437 7.704 537 H GLY 70 H GLY 70 8.760 -6.636 4.853 538 HA2 GLY 70 1HA GLY 70 7.219 -4.524 5.819 539 HA3 GLY 70 2HA GLY 70 8.456 -4.379 4.579 540 H ILE 71 H ILE 71 7.505 -5.632 2.441 541 HA ILE 71 HA ILE 71 5.678 -3.853 1.329 542 HB ILE 71 HB ILE 71 6.253 -6.683 0.445 543 HG12 ILE 71 1HG1 ILE 71 7.480 -4.073 -0.469 544 HG13 ILE 71 2HG1 ILE 71 8.253 -5.213 0.627 545 HG21 ILE 71 1HG2 ILE 71 4.272 -5.988 -0.642 546 HG22 ILE 71 2HG2 ILE 71 4.911 -4.372 -0.932 547 HG23 ILE 71 3HG2 ILE 71 5.576 -5.751 -1.806 548 HD11 ILE 71 1HD1 ILE 71 8.155 -6.917 -1.164 549 HD12 ILE 71 2HD1 ILE 71 7.524 -5.681 -2.251 550 HD13 ILE 71 3HD1 ILE 71 9.141 -5.513 -1.570 551 H GLU 72 H GLU 72 5.146 -7.050 2.756 552 HA GLU 72 HA GLU 72 2.448 -7.348 2.108 553 HB2 GLU 72 1HB GLU 72 4.201 -8.423 4.280 554 HB3 GLU 72 2HB GLU 72 2.468 -8.701 4.365 555 HG2 GLU 72 1HG GLU 72 2.617 -9.660 2.046 556 HG3 GLU 72 2HG GLU 72 4.370 -9.587 2.217 557 H LYS 73 H LYS 73 3.949 -5.880 4.972 558 HA LYS 73 HA LYS 73 1.634 -5.279 6.393 559 HB2 LYS 73 1HB LYS 73 4.345 -3.987 6.272 560 HB3 LYS 73 2HB LYS 73 3.074 -3.324 7.292 561 HG2 LYS 73 1HG LYS 73 3.065 -5.156 8.700 562 HG3 LYS 73 2HG LYS 73 3.802 -6.214 7.495 563 HD2 LYS 73 1HD LYS 73 5.926 -5.124 7.752 564 HD3 LYS 73 2HD LYS 73 5.218 -3.895 8.803 565 HE2 LYS 73 1HE LYS 73 6.282 -5.387 10.264 566 HE3 LYS 73 2HE LYS 73 4.575 -5.824 10.342 567 HZ1 LYS 73 1HZ LYS 73 6.564 -7.566 9.920 568 HZ2 LYS 73 2HZ LYS 73 6.100 -7.232 8.328 569 HZ3 LYS 73 3HZ LYS 73 4.963 -7.820 9.435 570 H ALA 74 H ALA 74 3.413 -3.219 4.094 571 HA ALA 74 HA ALA 74 1.574 -1.074 4.183 572 HB1 ALA 74 1HB ALA 74 4.043 -1.608 2.945 573 HB2 ALA 74 2HB ALA 74 2.915 -1.174 1.658 574 HB3 ALA 74 3HB ALA 74 3.172 -0.075 3.013 575 H ARG 75 H ARG 75 1.829 -3.938 2.149 576 HA ARG 75 HA ARG 75 -0.163 -3.161 0.278 577 HB2 ARG 75 1HB ARG 75 1.685 -5.062 0.213 578 HB3 ARG 75 2HB ARG 75 0.370 -6.040 0.851 579 HG2 ARG 75 1HG ARG 75 -1.004 -5.490 -1.072 580 HG3 ARG 75 2HG ARG 75 0.271 -4.446 -1.702 581 HD2 ARG 75 1HD ARG 75 1.713 -6.283 -2.086 582 HD3 ARG 75 2HD ARG 75 0.694 -7.370 -1.142 583 HE ARG 75 HE ARG 75 -0.718 -6.290 -3.361 584 HH11 ARG 75 1HH1 ARG 75 1.656 -8.677 -2.472 585 HH12 ARG 75 2HH1 ARG 75 1.296 -9.721 -3.808 586 HH21 ARG 75 1HH2 ARG 75 -1.200 -7.656 -5.123 587 HH22 ARG 75 2HH2 ARG 75 -0.327 -9.138 -5.315 588 H HIS 76 H HIS 76 -0.228 -4.751 3.384 589 HA HIS 76 HA HIS 76 -2.933 -5.680 3.154 590 HB2 HIS 76 1HB HIS 76 -1.129 -6.672 4.650 591 HB3 HIS 76 2HB HIS 76 -1.382 -5.290 5.714 592 HD1 HIS 76 HD1 HIS 76 -3.585 -7.954 4.104 593 HD2 HIS 76 HD2 HIS 76 -3.155 -5.852 7.662 594 HE1 HIS 76 HE1 HIS 76 -5.363 -8.856 5.636 595 H GLU 77 H GLU 77 -1.346 -2.796 4.318 596 HA GLU 77 HA GLU 77 -3.696 -1.774 5.641 597 HB2 GLU 77 1HB GLU 77 -1.029 -0.524 4.973 598 HB3 GLU 77 2HB GLU 77 -2.311 0.322 5.826 599 HG2 GLU 77 1HG GLU 77 -1.108 -2.254 6.794 600 HG3 GLU 77 2HG GLU 77 -0.515 -0.663 7.266 601 H VAL 78 H VAL 78 -1.909 -1.054 2.659 602 HA VAL 78 HA VAL 78 -3.539 1.063 1.783 603 HB VAL 78 HB VAL 78 -1.262 0.412 0.873 604 HG11 VAL 78 1HG1 VAL 78 -2.696 -1.323 -1.082 605 HG12 VAL 78 2HG1 VAL 78 -0.991 -1.307 -0.627 606 HG13 VAL 78 3HG1 VAL 78 -2.189 -2.006 0.463 607 HG21 VAL 78 1HG2 VAL 78 -2.450 2.172 -0.184 608 HG22 VAL 78 2HG2 VAL 78 -1.874 1.114 -1.472 609 HG23 VAL 78 3HG2 VAL 78 -3.561 1.046 -0.965 610 H LEU 79 H LEU 79 -3.857 -2.410 1.513 611 HA LEU 79 HA LEU 79 -5.996 -2.292 -0.410 612 HB2 LEU 79 1HB LEU 79 -4.625 -4.436 1.136 613 HB3 LEU 79 2HB LEU 79 -6.207 -4.775 0.440 614 HG LEU 79 HG LEU 79 -3.881 -3.786 -1.196 615 HD11 LEU 79 1HD1 LEU 79 -4.633 -6.565 -0.377 616 HD12 LEU 79 2HD1 LEU 79 -3.043 -5.805 -0.417 617 HD13 LEU 79 3HD1 LEU 79 -3.841 -6.259 -1.923 618 HD21 LEU 79 1HD2 LEU 79 -6.662 -4.599 -1.711 619 HD22 LEU 79 2HD2 LEU 79 -5.460 -5.251 -2.826 620 HD23 LEU 79 3HD2 LEU 79 -5.609 -3.506 -2.611 621 H LEU 80 H LEU 80 -5.701 -2.810 3.075 622 HA LEU 80 HA LEU 80 -8.370 -3.433 3.623 623 HB2 LEU 80 1HB LEU 80 -6.097 -2.330 5.188 624 HB3 LEU 80 2HB LEU 80 -7.712 -2.235 5.890 625 HG LEU 80 HG LEU 80 -6.490 -4.819 4.944 626 HD11 LEU 80 1HD1 LEU 80 -5.061 -3.843 6.674 627 HD12 LEU 80 2HD1 LEU 80 -5.913 -5.271 7.263 628 HD13 LEU 80 3HD1 LEU 80 -6.464 -3.661 7.727 629 HD21 LEU 80 1HD2 LEU 80 -8.997 -4.558 5.254 630 HD22 LEU 80 2HD2 LEU 80 -8.659 -4.370 6.975 631 HD23 LEU 80 3HD2 LEU 80 -8.220 -5.865 6.148 632 H ILE 81 H ILE 81 -6.729 -0.311 3.386 633 HA ILE 81 HA ILE 81 -8.946 1.254 4.211 634 HB ILE 81 HB ILE 81 -6.555 2.020 2.534 635 HG12 ILE 81 1HG1 ILE 81 -6.956 2.829 5.383 636 HG13 ILE 81 2HG1 ILE 81 -6.412 1.189 5.044 637 HG21 ILE 81 1HG2 ILE 81 -8.950 3.449 3.041 638 HG22 ILE 81 2HG2 ILE 81 -7.654 4.219 3.956 639 HG23 ILE 81 3HG2 ILE 81 -7.495 4.004 2.213 640 HD11 ILE 81 1HD1 ILE 81 -4.765 2.748 3.481 641 HD12 ILE 81 2HD1 ILE 81 -4.951 3.686 4.965 642 HD13 ILE 81 3HD1 ILE 81 -4.360 2.025 5.038 643 H SER 82 H SER 82 -7.615 0.528 0.988 644 HA SER 82 HA SER 82 -9.500 1.934 -0.512 645 HB2 SER 82 1HB SER 82 -8.876 0.322 -2.361 646 HB3 SER 82 2HB SER 82 -7.515 1.140 -1.593 647 HG SER 82 HG SER 82 -7.818 -0.996 -0.187 648 H ALA 83 H ALA 83 -9.553 -1.391 0.691 649 HA ALA 83 HA ALA 83 -11.859 -2.279 -0.607 650 HB1 ALA 83 1HB ALA 83 -10.091 -3.455 1.013 651 HB2 ALA 83 2HB ALA 83 -11.410 -3.222 2.160 652 HB3 ALA 83 3HB ALA 83 -11.682 -4.137 0.677 653 H GLU 84 H GLU 84 -11.553 -0.911 2.675 654 HA GLU 84 HA GLU 84 -14.164 -0.933 3.471 655 HB2 GLU 84 1HB GLU 84 -12.049 1.171 3.926 656 HB3 GLU 84 2HB GLU 84 -13.611 1.200 4.732 657 HG2 GLU 84 1HG GLU 84 -13.156 -0.887 5.818 658 HG3 GLU 84 2HG GLU 84 -11.664 -1.086 4.902 659 H GLN 85 H GLN 85 -12.592 1.554 1.481 660 HA GLN 85 HA GLN 85 -14.694 3.330 1.228 661 HB2 GLN 85 1HB GLN 85 -12.734 2.598 -0.951 662 HB3 GLN 85 2HB GLN 85 -13.638 4.100 -0.816 663 HG2 GLN 85 1HG GLN 85 -11.446 3.124 0.995 664 HG3 GLN 85 2HG GLN 85 -11.389 4.490 -0.118 665 HE21 GLN 85 1HE2 GLN 85 -10.789 4.648 2.616 666 HE22 GLN 85 2HE2 GLN 85 -11.966 5.664 3.371 667 H ASP 86 H ASP 86 -13.950 0.522 -0.823 668 HA ASP 86 HA ASP 86 -15.947 0.744 -2.697 669 HB2 ASP 86 1HB ASP 86 -14.186 -0.983 -2.749 670 HB3 ASP 86 2HB ASP 86 -14.972 -1.815 -1.411 671 H LYS 87 H LYS 87 -16.158 -0.726 0.524 672 HA LYS 87 HA LYS 87 -18.821 -1.608 0.322 673 HB2 LYS 87 1HB LYS 87 -17.066 -2.215 2.085 674 HB3 LYS 87 2HB LYS 87 -17.510 -0.713 2.884 675 HG2 LYS 87 1HG LYS 87 -19.833 -1.512 3.043 676 HG3 LYS 87 2HG LYS 87 -19.335 -3.039 2.309 677 HD2 LYS 87 1HD LYS 87 -17.611 -3.134 4.231 678 HD3 LYS 87 2HD LYS 87 -18.631 -1.914 4.998 679 HE2 LYS 87 1HE LYS 87 -19.803 -4.460 3.936 680 HE3 LYS 87 2HE LYS 87 -19.053 -4.405 5.530 681 HZ1 LYS 87 1HZ LYS 87 -21.425 -4.031 5.677 682 HZ2 LYS 87 2HZ LYS 87 -21.319 -2.716 4.618 683 HZ3 LYS 87 3HZ LYS 87 -20.589 -2.635 6.142 684 H ARG 88 H ARG 88 -17.532 1.284 1.969 685 HA ARG 88 HA ARG 88 -20.111 2.408 2.404 686 HB2 ARG 88 1HB ARG 88 -18.882 4.419 3.107 687 HB3 ARG 88 2HB ARG 88 -18.235 2.965 3.856 688 HG2 ARG 88 1HG ARG 88 -16.402 2.942 2.248 689 HG3 ARG 88 2HG ARG 88 -17.055 4.390 1.479 690 HD2 ARG 88 1HD ARG 88 -16.255 4.257 4.379 691 HD3 ARG 88 2HD ARG 88 -15.169 4.782 3.094 692 HE ARG 88 HE ARG 88 -17.233 6.312 4.307 693 HH11 ARG 88 1HH1 ARG 88 -15.594 5.761 1.285 694 HH12 ARG 88 2HH1 ARG 88 -15.910 7.351 0.675 695 HH21 ARG 88 1HH2 ARG 88 -17.656 8.408 3.513 696 HH22 ARG 88 2HH2 ARG 88 -17.082 8.857 1.942 697 H SER 89 H SER 89 -20.534 4.739 1.622 698 HA SER 89 HA SER 89 -21.353 5.893 -0.187 699 HB2 SER 89 1HB SER 89 -19.573 6.867 -1.577 700 HB3 SER 89 2HB SER 89 -19.120 6.875 0.128 701 HG SER 89 HG SER 89 -17.403 6.132 -1.151 702 H GLY 90 H GLY 90 -21.803 3.146 -0.488 703 HA2 GLY 90 1HA GLY 90 -22.306 3.001 -3.277 704 HA3 GLY 90 2HA GLY 90 -20.940 1.980 -2.857 705 HA PRO 91 HA PRO 91 -24.864 -0.465 -2.350 706 HB2 PRO 91 1HB PRO 91 -24.004 -2.608 -3.777 707 HB3 PRO 91 2HB PRO 91 -24.795 -1.214 -4.521 708 HG2 PRO 91 1HG PRO 91 -21.879 -1.864 -4.342 709 HG3 PRO 91 2HG PRO 91 -22.802 -1.236 -5.720 710 HD2 PRO 91 1HD PRO 91 -21.272 0.350 -4.148 711 HD3 PRO 91 2HD PRO 91 -22.761 0.925 -4.923 712 H SER 92 H SER 92 -25.107 -2.596 -1.334 713 HA SER 92 HA SER 92 -22.716 -3.419 0.179 714 HB2 SER 92 1HB SER 92 -24.072 -3.739 2.163 715 HB3 SER 92 2HB SER 92 -24.293 -2.088 1.584 716 HG SER 92 HG SER 92 -26.238 -2.822 0.573 717 H SER 93 H SER 93 -22.589 -5.618 0.756 718 HA SER 93 HA SER 93 -24.291 -7.364 -0.894 719 HB2 SER 93 1HB SER 93 -21.862 -7.381 -1.428 720 HB3 SER 93 2HB SER 93 -21.530 -7.937 0.212 721 HG SER 93 HG SER 93 -22.400 -9.863 -0.244 722 H GLY 94 H GLY 94 -25.542 -8.858 0.049 723 HA2 GLY 94 1HA GLY 94 -26.335 -10.330 1.650 724 HA3 GLY 94 2HA GLY 94 -24.920 -9.974 2.627 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 2.581 -43.210 16.533 2 HA2 GLY 1 1HA GLY 1 2.009 -41.090 15.410 3 HA3 GLY 1 2HA GLY 1 2.176 -40.317 16.979 4 H SER 2 H SER 2 3.617 -40.478 14.131 5 HA SER 2 HA SER 2 6.359 -40.687 15.141 6 HB2 SER 2 1HB SER 2 5.347 -40.452 12.296 7 HB3 SER 2 2HB SER 2 7.026 -40.699 12.772 8 HG SER 2 HG SER 2 4.990 -42.501 12.574 9 H SER 3 H SER 3 7.698 -38.980 15.308 10 HA SER 3 HA SER 3 7.389 -36.545 13.894 11 HB2 SER 3 1HB SER 3 6.782 -35.082 15.790 12 HB3 SER 3 2HB SER 3 5.495 -36.229 15.417 13 HG SER 3 HG SER 3 6.814 -37.517 17.138 14 H GLY 4 H GLY 4 8.998 -34.936 14.511 15 HA2 GLY 4 1HA GLY 4 10.833 -34.614 16.285 16 HA3 GLY 4 2HA GLY 4 11.313 -36.231 15.790 17 H SER 5 H SER 5 10.316 -33.304 14.017 18 HA SER 5 HA SER 5 12.582 -33.713 12.209 19 HB2 SER 5 1HB SER 5 10.203 -33.378 11.355 20 HB3 SER 5 2HB SER 5 10.353 -31.701 11.881 21 HG SER 5 HG SER 5 11.683 -33.052 9.815 22 H SER 6 H SER 6 14.389 -32.626 12.557 23 HA SER 6 HA SER 6 14.683 -30.600 14.472 24 HB2 SER 6 1HB SER 6 16.486 -32.126 13.474 25 HB3 SER 6 2HB SER 6 16.549 -30.982 12.132 26 HG SER 6 HG SER 6 17.727 -30.799 14.505 27 H GLY 7 H GLY 7 14.822 -30.333 10.913 28 HA2 GLY 7 1HA GLY 7 14.311 -28.588 9.512 29 HA3 GLY 7 2HA GLY 7 13.249 -28.002 10.785 30 H ASP 8 H ASP 8 15.412 -26.841 8.866 31 HA ASP 8 HA ASP 8 16.247 -24.779 10.667 32 HB2 ASP 8 1HB ASP 8 18.548 -25.128 10.751 33 HB3 ASP 8 2HB ASP 8 17.909 -26.759 10.944 34 H ILE 9 H ILE 9 16.173 -22.953 9.548 35 HA ILE 9 HA ILE 9 16.321 -23.081 6.627 36 HB ILE 9 HB ILE 9 15.168 -21.030 6.541 37 HG12 ILE 9 1HG1 ILE 9 16.549 -19.889 8.274 38 HG13 ILE 9 2HG1 ILE 9 14.829 -19.548 8.422 39 HG21 ILE 9 1HG2 ILE 9 13.397 -21.489 8.552 40 HG22 ILE 9 2HG2 ILE 9 13.407 -22.339 7.007 41 HG23 ILE 9 3HG2 ILE 9 14.187 -23.059 8.415 42 HD11 ILE 9 1HD1 ILE 9 14.917 -21.563 10.106 43 HD12 ILE 9 2HD1 ILE 9 16.618 -21.106 10.204 44 HD13 ILE 9 3HD1 ILE 9 15.364 -19.929 10.600 45 H VAL 10 H VAL 10 17.546 -21.519 5.435 46 HA VAL 10 HA VAL 10 20.023 -20.779 6.811 47 HB VAL 10 HB VAL 10 20.978 -20.481 4.572 48 HG11 VAL 10 1HG1 VAL 10 20.891 -22.839 3.856 49 HG12 VAL 10 2HG1 VAL 10 21.128 -22.670 5.597 50 HG13 VAL 10 3HG1 VAL 10 19.542 -23.104 4.959 51 HG21 VAL 10 1HG2 VAL 10 19.761 -20.926 2.574 52 HG22 VAL 10 2HG2 VAL 10 18.353 -21.477 3.481 53 HG23 VAL 10 3HG2 VAL 10 18.811 -19.775 3.515 54 H ALA 11 H ALA 11 21.063 -18.710 6.114 55 HA ALA 11 HA ALA 11 19.115 -16.604 5.489 56 HB1 ALA 11 1HB ALA 11 21.160 -16.105 7.608 57 HB2 ALA 11 2HB ALA 11 19.618 -15.296 7.322 58 HB3 ALA 11 3HB ALA 11 19.649 -16.917 8.017 59 H ARG 12 H ARG 12 19.819 -15.566 3.752 60 HA ARG 12 HA ARG 12 22.671 -14.906 3.550 61 HB2 ARG 12 1HB ARG 12 21.033 -16.471 1.621 62 HB3 ARG 12 2HB ARG 12 22.171 -15.306 0.955 63 HG2 ARG 12 1HG ARG 12 23.151 -17.186 3.033 64 HG3 ARG 12 2HG ARG 12 22.851 -17.810 1.410 65 HD2 ARG 12 1HD ARG 12 24.288 -15.976 0.520 66 HD3 ARG 12 2HD ARG 12 24.681 -15.543 2.183 67 HE ARG 12 HE ARG 12 25.304 -18.182 2.037 68 HH11 ARG 12 1HH1 ARG 12 26.182 -15.376 0.174 69 HH12 ARG 12 2HH1 ARG 12 27.745 -15.989 -0.257 70 HH21 ARG 12 1HH2 ARG 12 27.358 -19.000 1.477 71 HH22 ARG 12 2HH2 ARG 12 28.412 -18.051 0.484 72 H LEU 13 H LEU 13 23.012 -13.283 1.700 73 HA LEU 13 HA LEU 13 20.938 -11.228 1.956 74 HB2 LEU 13 1HB LEU 13 22.568 -9.628 1.678 75 HB3 LEU 13 2HB LEU 13 23.435 -10.893 2.545 76 HG LEU 13 HG LEU 13 23.563 -10.614 -0.446 77 HD11 LEU 13 1HD1 LEU 13 25.891 -9.685 1.015 78 HD12 LEU 13 2HD1 LEU 13 24.464 -8.695 1.318 79 HD13 LEU 13 3HD1 LEU 13 25.030 -8.943 -0.334 80 HD21 LEU 13 1HD2 LEU 13 24.266 -12.756 0.369 81 HD22 LEU 13 2HD2 LEU 13 25.267 -12.008 1.613 82 HD23 LEU 13 3HD2 LEU 13 25.699 -11.837 -0.089 83 H GLN 14 H GLN 14 19.789 -10.516 0.262 84 HA GLN 14 HA GLN 14 20.713 -10.930 -2.453 85 HB2 GLN 14 1HB GLN 14 18.508 -12.504 -1.225 86 HB3 GLN 14 2HB GLN 14 18.269 -11.928 -2.869 87 HG2 GLN 14 1HG GLN 14 20.197 -13.098 -3.639 88 HG3 GLN 14 2HG GLN 14 20.666 -13.515 -1.991 89 HE21 GLN 14 1HE2 GLN 14 20.505 -15.652 -1.898 90 HE22 GLN 14 2HE2 GLN 14 19.109 -16.573 -2.328 91 H THR 15 H THR 15 18.789 -10.204 -3.992 92 HA THR 15 HA THR 15 18.312 -7.478 -3.384 93 HB THR 15 HB THR 15 16.863 -7.531 -5.453 94 HG1 THR 15 HG1 THR 15 17.854 -10.184 -5.724 95 HG21 THR 15 1HG2 THR 15 19.513 -8.806 -6.032 96 HG22 THR 15 2HG2 THR 15 19.432 -7.195 -5.320 97 HG23 THR 15 3HG2 THR 15 18.692 -7.503 -6.890 98 H GLN 16 H GLN 16 15.951 -6.621 -3.843 99 HA GLN 16 HA GLN 16 14.166 -8.079 -2.010 100 HB2 GLN 16 1HB GLN 16 13.117 -5.845 -1.588 101 HB3 GLN 16 2HB GLN 16 14.785 -5.976 -1.047 102 HG2 GLN 16 1HG GLN 16 15.463 -4.866 -3.192 103 HG3 GLN 16 2HG GLN 16 13.752 -4.563 -3.489 104 HE21 GLN 16 1HE2 GLN 16 15.819 -4.355 -0.612 105 HE22 GLN 16 2HE2 GLN 16 15.418 -2.718 -0.232 106 H ALA 17 H ALA 17 11.821 -7.727 -2.400 107 HA ALA 17 HA ALA 17 11.276 -7.960 -5.264 108 HB1 ALA 17 1HB ALA 17 10.394 -9.401 -3.071 109 HB2 ALA 17 2HB ALA 17 9.004 -8.410 -3.520 110 HB3 ALA 17 3HB ALA 17 9.745 -9.480 -4.710 111 H SER 18 H SER 18 9.089 -7.073 -5.972 112 HA SER 18 HA SER 18 8.320 -4.605 -4.631 113 HB2 SER 18 1HB SER 18 8.438 -3.443 -6.946 114 HB3 SER 18 2HB SER 18 9.932 -3.636 -6.029 115 HG SER 18 HG SER 18 9.307 -5.742 -7.695 116 H ALA 19 H ALA 19 6.181 -4.476 -4.598 117 HA ALA 19 HA ALA 19 4.659 -5.784 -6.758 118 HB1 ALA 19 1HB ALA 19 4.211 -5.809 -3.797 119 HB2 ALA 19 2HB ALA 19 2.870 -6.053 -4.917 120 HB3 ALA 19 3HB ALA 19 4.244 -7.158 -4.933 121 H THR 20 H THR 20 2.338 -4.937 -6.833 122 HA THR 20 HA THR 20 2.181 -2.085 -6.171 123 HB THR 20 HB THR 20 1.029 -1.883 -8.532 124 HG1 THR 20 HG1 THR 20 1.640 -3.360 -9.973 125 HG21 THR 20 1HG2 THR 20 3.849 -1.647 -7.683 126 HG22 THR 20 2HG2 THR 20 2.767 -0.435 -8.368 127 HG23 THR 20 3HG2 THR 20 3.557 -1.609 -9.421 128 H VAL 21 H VAL 21 0.085 -1.274 -5.929 129 HA VAL 21 HA VAL 21 -2.058 -3.300 -5.948 130 HB VAL 21 HB VAL 21 -1.474 -2.877 -3.649 131 HG11 VAL 21 1HG1 VAL 21 -2.140 0.026 -3.911 132 HG12 VAL 21 2HG1 VAL 21 -1.190 -0.799 -2.674 133 HG13 VAL 21 3HG1 VAL 21 -0.513 -0.545 -4.282 134 HG21 VAL 21 1HG2 VAL 21 -4.041 -2.173 -4.772 135 HG22 VAL 21 2HG2 VAL 21 -3.666 -3.102 -3.321 136 HG23 VAL 21 3HG2 VAL 21 -3.758 -1.343 -3.242 137 H ALA 22 H ALA 22 -3.316 -2.775 -7.624 138 HA ALA 22 HA ALA 22 -3.622 -0.177 -8.679 139 HB1 ALA 22 1HB ALA 22 -4.081 -1.842 -10.211 140 HB2 ALA 22 2HB ALA 22 -5.053 -2.771 -9.069 141 HB3 ALA 22 3HB ALA 22 -5.699 -1.290 -9.777 142 H ILE 23 H ILE 23 -4.663 1.481 -7.811 143 HA ILE 23 HA ILE 23 -7.241 1.043 -6.512 144 HB ILE 23 HB ILE 23 -6.486 2.766 -4.735 145 HG12 ILE 23 1HG1 ILE 23 -3.792 1.546 -5.331 146 HG13 ILE 23 2HG1 ILE 23 -4.271 3.125 -5.945 147 HG21 ILE 23 1HG2 ILE 23 -5.362 0.778 -3.439 148 HG22 ILE 23 2HG2 ILE 23 -7.073 0.732 -3.861 149 HG23 ILE 23 3HG2 ILE 23 -5.899 -0.150 -4.839 150 HD11 ILE 23 1HD1 ILE 23 -3.027 2.610 -3.548 151 HD12 ILE 23 2HD1 ILE 23 -3.842 4.107 -4.001 152 HD13 ILE 23 3HD1 ILE 23 -4.710 2.871 -3.091 153 HA PRO 24 HA PRO 24 -8.429 4.730 -8.576 154 HB2 PRO 24 1HB PRO 24 -10.235 5.771 -6.837 155 HB3 PRO 24 2HB PRO 24 -10.561 4.336 -7.815 156 HG2 PRO 24 1HG PRO 24 -9.714 4.523 -4.950 157 HG3 PRO 24 2HG PRO 24 -10.935 3.471 -5.689 158 HD2 PRO 24 1HD PRO 24 -8.445 2.603 -5.072 159 HD3 PRO 24 2HD PRO 24 -9.362 1.971 -6.457 160 H LYS 25 H LYS 25 -8.100 6.953 -8.655 161 HA LYS 25 HA LYS 25 -5.959 8.000 -7.201 162 HB2 LYS 25 1HB LYS 25 -7.145 8.751 -9.453 163 HB3 LYS 25 2HB LYS 25 -7.977 9.859 -8.371 164 HG2 LYS 25 1HG LYS 25 -6.212 11.158 -8.974 165 HG3 LYS 25 2HG LYS 25 -5.522 10.365 -7.557 166 HD2 LYS 25 1HD LYS 25 -4.804 8.573 -9.379 167 HD3 LYS 25 2HD LYS 25 -4.918 9.979 -10.441 168 HE2 LYS 25 1HE LYS 25 -2.696 9.990 -9.737 169 HE3 LYS 25 2HE LYS 25 -3.476 11.173 -8.687 170 HZ1 LYS 25 1HZ LYS 25 -3.498 8.485 -7.648 171 HZ2 LYS 25 2HZ LYS 25 -3.083 9.937 -6.885 172 HZ3 LYS 25 3HZ LYS 25 -1.944 9.126 -7.838 173 H GLU 26 H GLU 26 -9.249 7.702 -6.351 174 HA GLU 26 HA GLU 26 -9.327 9.893 -4.492 175 HB2 GLU 26 1HB GLU 26 -11.513 9.171 -3.951 176 HB3 GLU 26 2HB GLU 26 -11.331 8.882 -5.675 177 HG2 GLU 26 1HG GLU 26 -11.370 6.620 -5.448 178 HG3 GLU 26 2HG GLU 26 -10.673 6.659 -3.829 179 H HIS 27 H HIS 27 -8.232 6.641 -4.440 180 HA HIS 27 HA HIS 27 -8.272 6.510 -1.521 181 HB2 HIS 27 1HB HIS 27 -7.537 4.480 -3.634 182 HB3 HIS 27 2HB HIS 27 -7.368 4.187 -1.905 183 HD1 HIS 27 HD1 HIS 27 -9.177 2.317 -3.340 184 HD2 HIS 27 HD2 HIS 27 -10.518 5.936 -1.804 185 HE1 HIS 27 HE1 HIS 27 -11.660 2.043 -3.045 186 H HIS 28 H HIS 28 -6.237 7.522 -3.996 187 HA HIS 28 HA HIS 28 -3.718 6.755 -2.919 188 HB2 HIS 28 1HB HIS 28 -4.630 8.712 -4.994 189 HB3 HIS 28 2HB HIS 28 -2.970 8.786 -4.409 190 HD2 HIS 28 HD2 HIS 28 -4.893 5.444 -5.244 191 HE1 HIS 28 HE1 HIS 28 -1.521 5.809 -7.792 192 HE2 HIS 28 HE2 HIS 28 -3.488 4.379 -7.137 193 H ARG 29 H ARG 29 -5.860 9.482 -2.444 194 HA ARG 29 HA ARG 29 -3.944 11.059 -1.004 195 HB2 ARG 29 1HB ARG 29 -5.842 12.524 -0.500 196 HB3 ARG 29 2HB ARG 29 -5.789 12.119 -2.210 197 HG2 ARG 29 1HG ARG 29 -7.585 10.559 -1.965 198 HG3 ARG 29 2HG ARG 29 -7.554 10.730 -0.209 199 HD2 ARG 29 1HD ARG 29 -9.293 12.127 -0.723 200 HD3 ARG 29 2HD ARG 29 -7.949 13.267 -0.782 201 HE ARG 29 HE ARG 29 -9.540 12.329 -3.004 202 HH11 ARG 29 1HH1 ARG 29 -6.579 13.854 -1.988 203 HH12 ARG 29 2HH1 ARG 29 -6.300 14.624 -3.514 204 HH21 ARG 29 1HH2 ARG 29 -9.183 13.338 -5.017 205 HH22 ARG 29 2HH2 ARG 29 -7.781 14.331 -5.237 206 H PHE 30 H PHE 30 -6.310 8.634 -0.210 207 HA PHE 30 HA PHE 30 -6.408 9.199 2.591 208 HB2 PHE 30 1HB PHE 30 -7.310 6.893 0.883 209 HB3 PHE 30 2HB PHE 30 -7.385 6.803 2.640 210 HD1 PHE 30 HD1 PHE 30 -8.245 9.432 3.444 211 HD2 PHE 30 HD2 PHE 30 -9.458 7.105 0.093 212 HE1 PHE 30 HE1 PHE 30 -10.404 10.611 3.412 213 HE2 PHE 30 HE2 PHE 30 -11.619 8.281 0.055 214 HZ PHE 30 HZ PHE 30 -12.095 10.036 1.715 215 H VAL 31 H VAL 31 -4.055 7.868 0.629 216 HA VAL 31 HA VAL 31 -2.947 6.195 2.775 217 HB VAL 31 HB VAL 31 -2.114 6.386 -0.124 218 HG11 VAL 31 1HG1 VAL 31 -1.172 4.621 2.129 219 HG12 VAL 31 2HG1 VAL 31 -0.832 4.304 0.426 220 HG13 VAL 31 3HG1 VAL 31 -0.220 5.771 1.190 221 HG21 VAL 31 1HG2 VAL 31 -3.239 4.350 -0.499 222 HG22 VAL 31 2HG2 VAL 31 -3.481 4.072 1.226 223 HG23 VAL 31 3HG2 VAL 31 -4.375 5.352 0.405 224 H ILE 32 H ILE 32 -2.443 9.124 0.992 225 HA ILE 32 HA ILE 32 0.300 9.444 1.853 226 HB ILE 32 HB ILE 32 -1.538 11.416 0.489 227 HG12 ILE 32 1HG1 ILE 32 0.717 9.847 -0.755 228 HG13 ILE 32 2HG1 ILE 32 -0.939 9.252 -0.738 229 HG21 ILE 32 1HG2 ILE 32 0.699 12.469 -0.136 230 HG22 ILE 32 2HG2 ILE 32 0.144 12.680 1.525 231 HG23 ILE 32 3HG2 ILE 32 1.387 11.485 1.157 232 HD11 ILE 32 1HD1 ILE 32 -0.889 10.259 -2.775 233 HD12 ILE 32 2HD1 ILE 32 -1.434 11.614 -1.786 234 HD13 ILE 32 3HD1 ILE 32 0.259 11.495 -2.262 235 H GLY 33 H GLY 33 -2.877 10.758 2.681 236 HA2 GLY 33 1HA GLY 33 -3.217 11.228 5.078 237 HA3 GLY 33 2HA GLY 33 -1.633 11.989 5.062 238 H LYS 34 H LYS 34 -3.941 13.271 5.990 239 HA LYS 34 HA LYS 34 -5.296 14.869 4.169 240 HB2 LYS 34 1HB LYS 34 -5.677 16.413 6.057 241 HB3 LYS 34 2HB LYS 34 -5.958 14.735 6.502 242 HG2 LYS 34 1HG LYS 34 -3.775 14.643 7.582 243 HG3 LYS 34 2HG LYS 34 -3.471 16.320 7.118 244 HD2 LYS 34 1HD LYS 34 -5.558 16.927 8.401 245 HD3 LYS 34 2HD LYS 34 -5.557 15.276 9.025 246 HE2 LYS 34 1HE LYS 34 -3.695 15.618 10.312 247 HE3 LYS 34 2HE LYS 34 -3.052 16.863 9.242 248 HZ1 LYS 34 1HZ LYS 34 -5.513 17.667 10.433 249 HZ2 LYS 34 2HZ LYS 34 -4.010 18.443 10.447 250 HZ3 LYS 34 3HZ LYS 34 -4.366 17.269 11.611 251 H ASN 35 H ASN 35 -2.211 15.472 5.813 252 HA ASN 35 HA ASN 35 -1.777 17.758 4.009 253 HB2 ASN 35 1HB ASN 35 -0.934 17.202 6.823 254 HB3 ASN 35 2HB ASN 35 0.110 18.198 5.814 255 HD21 ASN 35 1HD2 ASN 35 -1.564 18.797 8.196 256 HD22 ASN 35 2HD2 ASN 35 -2.555 20.130 7.720 257 H GLY 36 H GLY 36 -0.566 14.684 5.076 258 HA2 GLY 36 1HA GLY 36 0.767 13.577 3.245 259 HA3 GLY 36 2HA GLY 36 1.776 15.015 3.305 260 H GLU 37 H GLU 37 0.387 12.930 5.838 261 HA GLU 37 HA GLU 37 3.129 12.480 6.819 262 HB2 GLU 37 1HB GLU 37 2.152 12.404 9.116 263 HB3 GLU 37 2HB GLU 37 2.057 13.984 8.350 264 HG2 GLU 37 1HG GLU 37 -0.224 13.883 8.104 265 HG3 GLU 37 2HG GLU 37 -0.255 12.121 8.134 266 H LYS 38 H LYS 38 0.025 11.165 6.066 267 HA LYS 38 HA LYS 38 0.088 8.733 7.415 268 HB2 LYS 38 1HB LYS 38 -1.722 9.843 5.852 269 HB3 LYS 38 2HB LYS 38 -0.956 8.855 4.615 270 HG2 LYS 38 1HG LYS 38 -2.395 7.966 7.089 271 HG3 LYS 38 2HG LYS 38 -2.746 7.573 5.404 272 HD2 LYS 38 1HD LYS 38 -0.621 6.318 5.291 273 HD3 LYS 38 2HD LYS 38 -0.352 6.659 7.002 274 HE2 LYS 38 1HE LYS 38 -1.284 4.431 6.701 275 HE3 LYS 38 2HE LYS 38 -2.419 5.471 7.558 276 HZ1 LYS 38 1HZ LYS 38 -2.531 4.825 4.661 277 HZ2 LYS 38 2HZ LYS 38 -3.631 5.798 5.500 278 HZ3 LYS 38 3HZ LYS 38 -3.519 4.148 5.857 279 H LEU 39 H LEU 39 1.178 9.401 4.085 280 HA LEU 39 HA LEU 39 2.205 6.896 3.498 281 HB2 LEU 39 1HB LEU 39 2.068 8.344 1.698 282 HB3 LEU 39 2HB LEU 39 2.855 9.660 2.568 283 HG LEU 39 HG LEU 39 4.975 8.210 2.432 284 HD11 LEU 39 1HD1 LEU 39 4.984 6.321 1.251 285 HD12 LEU 39 2HD1 LEU 39 4.051 7.038 -0.063 286 HD13 LEU 39 3HD1 LEU 39 3.224 6.380 1.349 287 HD21 LEU 39 1HD2 LEU 39 5.502 9.091 0.218 288 HD22 LEU 39 2HD2 LEU 39 4.649 10.289 1.192 289 HD23 LEU 39 3HD2 LEU 39 3.791 9.406 -0.072 290 H GLN 40 H GLN 40 3.777 9.634 5.099 291 HA GLN 40 HA GLN 40 6.364 8.641 5.261 292 HB2 GLN 40 1HB GLN 40 5.012 10.229 7.441 293 HB3 GLN 40 2HB GLN 40 6.725 10.194 7.046 294 HG2 GLN 40 1HG GLN 40 5.936 11.104 4.743 295 HG3 GLN 40 2HG GLN 40 4.483 11.558 5.632 296 HE21 GLN 40 1HE2 GLN 40 7.945 11.584 6.410 297 HE22 GLN 40 2HE2 GLN 40 8.005 13.250 6.861 298 H ASP 41 H ASP 41 3.919 8.493 7.858 299 HA ASP 41 HA ASP 41 5.251 6.845 9.602 300 HB2 ASP 41 1HB ASP 41 2.930 7.991 9.807 301 HB3 ASP 41 2HB ASP 41 2.305 6.485 9.139 302 H LEU 42 H LEU 42 3.455 5.954 6.714 303 HA LEU 42 HA LEU 42 3.475 3.156 7.160 304 HB2 LEU 42 1HB LEU 42 2.937 4.953 4.862 305 HB3 LEU 42 2HB LEU 42 3.282 3.262 4.510 306 HG LEU 42 HG LEU 42 1.039 4.292 6.247 307 HD11 LEU 42 1HD1 LEU 42 -0.423 3.578 4.483 308 HD12 LEU 42 2HD1 LEU 42 0.935 2.950 3.552 309 HD13 LEU 42 3HD1 LEU 42 0.774 4.686 3.812 310 HD21 LEU 42 1HD2 LEU 42 2.307 1.727 6.109 311 HD22 LEU 42 2HD2 LEU 42 0.654 1.606 5.507 312 HD23 LEU 42 3HD2 LEU 42 0.961 2.253 7.120 313 H GLU 43 H GLU 43 5.444 5.175 4.973 314 HA GLU 43 HA GLU 43 7.157 3.260 4.009 315 HB2 GLU 43 1HB GLU 43 7.441 6.182 4.547 316 HB3 GLU 43 2HB GLU 43 8.882 5.270 4.117 317 HG2 GLU 43 1HG GLU 43 7.845 4.556 2.046 318 HG3 GLU 43 2HG GLU 43 6.359 5.398 2.481 319 H LEU 44 H LEU 44 7.023 4.600 7.195 320 HA LEU 44 HA LEU 44 9.641 3.574 7.932 321 HB2 LEU 44 1HB LEU 44 7.524 5.161 9.334 322 HB3 LEU 44 2HB LEU 44 8.817 4.389 10.250 323 HG LEU 44 HG LEU 44 9.424 6.264 7.986 324 HD11 LEU 44 1HD1 LEU 44 9.118 7.092 10.863 325 HD12 LEU 44 2HD1 LEU 44 7.876 7.349 9.638 326 HD13 LEU 44 3HD1 LEU 44 9.456 8.118 9.469 327 HD21 LEU 44 1HD2 LEU 44 11.519 6.534 9.143 328 HD22 LEU 44 2HD2 LEU 44 11.204 4.813 8.913 329 HD23 LEU 44 3HD2 LEU 44 10.944 5.554 10.493 330 H LYS 45 H LYS 45 6.367 3.199 9.307 331 HA LYS 45 HA LYS 45 6.797 1.043 10.926 332 HB2 LYS 45 1HB LYS 45 4.659 2.268 10.766 333 HB3 LYS 45 2HB LYS 45 4.348 1.505 9.212 334 HG2 LYS 45 1HG LYS 45 4.114 -0.633 10.210 335 HG3 LYS 45 2HG LYS 45 4.734 -0.049 11.756 336 HD2 LYS 45 1HD LYS 45 2.414 -0.157 12.060 337 HD3 LYS 45 2HD LYS 45 2.735 1.550 11.743 338 HE2 LYS 45 1HE LYS 45 0.850 0.999 10.438 339 HE3 LYS 45 2HE LYS 45 2.207 1.057 9.316 340 HZ1 LYS 45 1HZ LYS 45 2.301 -1.484 9.879 341 HZ2 LYS 45 2HZ LYS 45 1.240 -0.895 8.701 342 HZ3 LYS 45 3HZ LYS 45 0.667 -1.252 10.252 343 H THR 46 H THR 46 6.315 1.033 7.438 344 HA THR 46 HA THR 46 6.557 -1.884 7.376 345 HB THR 46 HB THR 46 5.780 -1.830 5.141 346 HG1 THR 46 HG1 THR 46 6.193 0.993 5.207 347 HG21 THR 46 1HG2 THR 46 3.730 -0.351 5.278 348 HG22 THR 46 2HG2 THR 46 4.357 0.224 6.824 349 HG23 THR 46 3HG2 THR 46 3.952 -1.480 6.614 350 H ALA 47 H ALA 47 8.434 0.919 6.981 351 HA ALA 47 HA ALA 47 10.555 1.316 6.252 352 HB1 ALA 47 1HB ALA 47 11.310 -0.196 7.864 353 HB2 ALA 47 2HB ALA 47 10.682 -1.590 6.984 354 HB3 ALA 47 3HB ALA 47 12.096 -0.728 6.378 355 H THR 48 H THR 48 8.549 0.745 4.248 356 HA THR 48 HA THR 48 10.166 -0.546 2.156 357 HB THR 48 HB THR 48 8.048 -0.734 0.873 358 HG1 THR 48 HG1 THR 48 6.596 0.663 1.601 359 HG21 THR 48 1HG2 THR 48 7.209 -2.608 2.046 360 HG22 THR 48 2HG2 THR 48 7.703 -1.950 3.605 361 HG23 THR 48 3HG2 THR 48 8.919 -2.517 2.463 362 H LYS 49 H LYS 49 9.588 0.387 -0.108 363 HA LYS 49 HA LYS 49 9.837 3.315 0.075 364 HB2 LYS 49 1HB LYS 49 11.776 2.000 -0.868 365 HB3 LYS 49 2HB LYS 49 10.731 1.557 -2.212 366 HG2 LYS 49 1HG LYS 49 11.958 3.363 -3.012 367 HG3 LYS 49 2HG LYS 49 10.409 4.072 -2.551 368 HD2 LYS 49 1HD LYS 49 11.965 5.560 -1.666 369 HD3 LYS 49 2HD LYS 49 11.550 4.542 -0.285 370 HE2 LYS 49 1HE LYS 49 13.896 4.727 -0.246 371 HE3 LYS 49 2HE LYS 49 13.564 3.129 -0.910 372 HZ1 LYS 49 1HZ LYS 49 14.681 5.490 -2.217 373 HZ2 LYS 49 2HZ LYS 49 13.688 4.487 -3.150 374 HZ3 LYS 49 3HZ LYS 49 15.076 3.857 -2.414 375 H ILE 50 H ILE 50 7.538 3.574 0.108 376 HA ILE 50 HA ILE 50 5.891 2.606 -2.010 377 HB ILE 50 HB ILE 50 5.362 4.861 -0.072 378 HG12 ILE 50 1HG1 ILE 50 4.390 2.005 0.080 379 HG13 ILE 50 2HG1 ILE 50 5.837 2.569 0.909 380 HG21 ILE 50 1HG2 ILE 50 3.090 3.367 -1.124 381 HG22 ILE 50 2HG2 ILE 50 3.327 5.106 -0.962 382 HG23 ILE 50 3HG2 ILE 50 3.981 4.254 -2.361 383 HD11 ILE 50 1HD1 ILE 50 3.709 4.341 1.527 384 HD12 ILE 50 2HD1 ILE 50 3.156 2.685 1.776 385 HD13 ILE 50 3HD1 ILE 50 4.604 3.264 2.600 386 H GLN 51 H GLN 51 5.321 3.530 -3.902 387 HA GLN 51 HA GLN 51 6.245 6.267 -4.446 388 HB2 GLN 51 1HB GLN 51 7.637 4.240 -5.427 389 HB3 GLN 51 2HB GLN 51 6.353 4.236 -6.630 390 HG2 GLN 51 1HG GLN 51 8.136 5.546 -7.481 391 HG3 GLN 51 2HG GLN 51 6.828 6.645 -7.044 392 HE21 GLN 51 1HE2 GLN 51 9.106 7.849 -7.335 393 HE22 GLN 51 2HE2 GLN 51 9.863 8.227 -5.830 394 H ILE 52 H ILE 52 4.414 7.381 -4.672 395 HA ILE 52 HA ILE 52 2.129 6.153 -6.025 396 HB ILE 52 HB ILE 52 2.309 8.769 -4.525 397 HG12 ILE 52 1HG1 ILE 52 0.809 6.314 -3.651 398 HG13 ILE 52 2HG1 ILE 52 2.517 6.507 -3.273 399 HG21 ILE 52 1HG2 ILE 52 0.020 9.054 -4.834 400 HG22 ILE 52 2HG2 ILE 52 0.579 8.498 -6.411 401 HG23 ILE 52 3HG2 ILE 52 -0.222 7.375 -5.314 402 HD11 ILE 52 1HD1 ILE 52 0.489 8.594 -2.562 403 HD12 ILE 52 2HD1 ILE 52 0.846 7.224 -1.510 404 HD13 ILE 52 3HD1 ILE 52 2.116 8.374 -1.922 405 HA PRO 53 HA PRO 53 2.946 8.312 -9.786 406 HB2 PRO 53 1HB PRO 53 0.478 8.098 -10.896 407 HB3 PRO 53 2HB PRO 53 1.606 6.741 -10.792 408 HG2 PRO 53 1HG PRO 53 -0.721 7.406 -9.032 409 HG3 PRO 53 2HG PRO 53 -0.222 5.834 -9.678 410 HD2 PRO 53 1HD PRO 53 0.323 6.605 -7.141 411 HD3 PRO 53 2HD PRO 53 1.404 5.547 -8.070 412 H ARG 54 H ARG 54 2.328 10.228 -10.945 413 HA ARG 54 HA ARG 54 1.499 12.350 -9.226 414 HB2 ARG 54 1HB ARG 54 2.228 12.184 -12.140 415 HB3 ARG 54 2HB ARG 54 1.616 13.676 -11.436 416 HG2 ARG 54 1HG ARG 54 3.478 13.917 -10.041 417 HG3 ARG 54 2HG ARG 54 3.973 12.238 -10.269 418 HD2 ARG 54 1HD ARG 54 4.440 12.740 -12.644 419 HD3 ARG 54 2HD ARG 54 4.033 14.428 -12.340 420 HE ARG 54 HE ARG 54 5.999 13.717 -10.512 421 HH11 ARG 54 1HH1 ARG 54 5.647 14.014 -13.963 422 HH12 ARG 54 2HH1 ARG 54 7.313 14.406 -14.230 423 HH21 ARG 54 1HH2 ARG 54 8.194 14.233 -10.851 424 HH22 ARG 54 2HH2 ARG 54 8.761 14.530 -12.459 425 HA PRO 55 HA PRO 55 -2.814 12.574 -10.002 426 HB2 PRO 55 1HB PRO 55 -3.234 15.256 -10.011 427 HB3 PRO 55 2HB PRO 55 -2.873 14.346 -8.540 428 HG2 PRO 55 1HG PRO 55 -1.043 15.986 -10.248 429 HG3 PRO 55 2HG PRO 55 -1.153 15.909 -8.481 430 HD2 PRO 55 1HD PRO 55 0.752 14.590 -9.879 431 HD3 PRO 55 2HD PRO 55 0.075 13.964 -8.362 432 H ASP 56 H ASP 56 -0.582 13.991 -12.198 433 HA ASP 56 HA ASP 56 -2.651 14.568 -14.178 434 HB2 ASP 56 1HB ASP 56 0.282 15.186 -13.978 435 HB3 ASP 56 2HB ASP 56 -0.549 15.293 -15.527 436 H ASP 57 H ASP 57 -0.500 12.091 -13.292 437 HA ASP 57 HA ASP 57 -0.320 10.938 -15.951 438 HB2 ASP 57 1HB ASP 57 1.461 10.866 -14.017 439 HB3 ASP 57 2HB ASP 57 0.518 9.483 -13.472 440 HA PRO 58 HA PRO 58 -3.970 8.497 -15.610 441 HB2 PRO 58 1HB PRO 58 -3.374 6.609 -17.468 442 HB3 PRO 58 2HB PRO 58 -3.838 8.261 -17.891 443 HG2 PRO 58 1HG PRO 58 -1.109 7.042 -17.740 444 HG3 PRO 58 2HG PRO 58 -1.781 8.131 -18.967 445 HD2 PRO 58 1HD PRO 58 -0.144 8.996 -16.991 446 HD3 PRO 58 2HD PRO 58 -1.435 10.007 -17.673 447 H SER 59 H SER 59 -1.032 7.627 -14.415 448 HA SER 59 HA SER 59 -1.641 4.833 -13.903 449 HB2 SER 59 1HB SER 59 0.716 6.610 -13.324 450 HB3 SER 59 2HB SER 59 0.562 5.035 -12.548 451 HG SER 59 HG SER 59 0.811 4.049 -14.450 452 H ASN 60 H ASN 60 -2.733 4.153 -12.190 453 HA ASN 60 HA ASN 60 -2.790 5.852 -9.786 454 HB2 ASN 60 1HB ASN 60 -5.141 5.012 -9.433 455 HB3 ASN 60 2HB ASN 60 -4.940 6.095 -10.807 456 HD21 ASN 60 1HD2 ASN 60 -6.121 3.147 -9.767 457 HD22 ASN 60 2HD2 ASN 60 -6.424 2.428 -11.308 458 H GLN 61 H GLN 61 -1.135 3.507 -10.525 459 HA GLN 61 HA GLN 61 -2.045 1.597 -8.480 460 HB2 GLN 61 1HB GLN 61 -0.512 -0.019 -9.581 461 HB3 GLN 61 2HB GLN 61 -1.797 0.550 -10.639 462 HG2 GLN 61 1HG GLN 61 -0.118 2.237 -11.519 463 HG3 GLN 61 2HG GLN 61 1.108 1.294 -10.673 464 HE21 GLN 61 1HE2 GLN 61 0.412 -1.244 -11.086 465 HE22 GLN 61 2HE2 GLN 61 0.409 -1.628 -12.770 466 H ILE 62 H ILE 62 -1.038 1.710 -6.597 467 HA ILE 62 HA ILE 62 1.352 3.236 -6.237 468 HB ILE 62 HB ILE 62 -0.312 1.544 -4.394 469 HG12 ILE 62 1HG1 ILE 62 0.390 4.486 -4.350 470 HG13 ILE 62 2HG1 ILE 62 -1.079 3.826 -5.060 471 HG21 ILE 62 1HG2 ILE 62 1.892 1.155 -3.606 472 HG22 ILE 62 2HG2 ILE 62 2.337 2.848 -3.814 473 HG23 ILE 62 3HG2 ILE 62 1.188 2.387 -2.558 474 HD11 ILE 62 1HD1 ILE 62 -1.179 2.766 -2.570 475 HD12 ILE 62 2HD1 ILE 62 -0.388 4.311 -2.259 476 HD13 ILE 62 3HD1 ILE 62 -1.960 4.270 -3.056 477 H LYS 63 H LYS 63 3.395 2.519 -5.594 478 HA LYS 63 HA LYS 63 3.952 -0.310 -6.202 479 HB2 LYS 63 1HB LYS 63 4.934 1.198 -7.854 480 HB3 LYS 63 2HB LYS 63 5.733 2.105 -6.578 481 HG2 LYS 63 1HG LYS 63 6.751 -0.274 -6.028 482 HG3 LYS 63 2HG LYS 63 6.403 -0.539 -7.738 483 HD2 LYS 63 1HD LYS 63 7.606 1.704 -8.116 484 HD3 LYS 63 2HD LYS 63 8.225 1.486 -6.477 485 HE2 LYS 63 1HE LYS 63 9.524 -0.306 -7.060 486 HE3 LYS 63 2HE LYS 63 8.462 -0.784 -8.382 487 HZ1 LYS 63 1HZ LYS 63 10.766 0.297 -8.860 488 HZ2 LYS 63 2HZ LYS 63 9.934 1.745 -8.591 489 HZ3 LYS 63 3HZ LYS 63 9.426 0.694 -9.815 490 H ILE 64 H ILE 64 5.028 -1.507 -4.733 491 HA ILE 64 HA ILE 64 6.144 -0.127 -2.383 492 HB ILE 64 HB ILE 64 5.406 -2.448 -1.264 493 HG12 ILE 64 1HG1 ILE 64 3.223 -1.857 -3.273 494 HG13 ILE 64 2HG1 ILE 64 4.329 -3.223 -3.366 495 HG21 ILE 64 1HG2 ILE 64 3.319 -0.325 -1.501 496 HG22 ILE 64 2HG2 ILE 64 3.844 -1.228 -0.081 497 HG23 ILE 64 3HG2 ILE 64 4.869 0.044 -0.745 498 HD11 ILE 64 1HD1 ILE 64 3.034 -4.416 -2.032 499 HD12 ILE 64 2HD1 ILE 64 3.067 -3.158 -0.796 500 HD13 ILE 64 3HD1 ILE 64 1.856 -3.106 -2.077 501 H THR 65 H THR 65 8.181 -0.648 -1.942 502 HA THR 65 HA THR 65 9.229 -3.220 -2.919 503 HB THR 65 HB THR 65 10.877 -0.695 -2.907 504 HG1 THR 65 HG1 THR 65 9.646 -1.837 -5.200 505 HG21 THR 65 1HG2 THR 65 11.855 -3.096 -2.943 506 HG22 THR 65 2HG2 THR 65 12.462 -1.912 -4.100 507 HG23 THR 65 3HG2 THR 65 11.289 -3.125 -4.613 508 H GLY 66 H GLY 66 10.551 -4.321 -1.550 509 HA2 GLY 66 1HA GLY 66 12.220 -3.518 0.405 510 HA3 GLY 66 2HA GLY 66 10.654 -3.386 1.190 511 H THR 67 H THR 67 11.233 -4.990 2.698 512 HA THR 67 HA THR 67 11.931 -7.638 1.791 513 HB THR 67 HB THR 67 11.893 -8.266 4.154 514 HG1 THR 67 HG1 THR 67 10.553 -5.818 4.368 515 HG21 THR 67 1HG2 THR 67 13.925 -7.242 3.355 516 HG22 THR 67 2HG2 THR 67 13.602 -6.660 4.988 517 HG23 THR 67 3HG2 THR 67 13.255 -5.630 3.600 518 H LYS 68 H LYS 68 10.663 -9.471 1.856 519 HA LYS 68 HA LYS 68 8.079 -9.430 1.077 520 HB2 LYS 68 1HB LYS 68 9.767 -11.418 1.544 521 HB3 LYS 68 2HB LYS 68 8.820 -11.573 3.018 522 HG2 LYS 68 1HG LYS 68 6.942 -12.247 1.908 523 HG3 LYS 68 2HG LYS 68 7.377 -11.394 0.425 524 HD2 LYS 68 1HD LYS 68 9.069 -13.676 1.336 525 HD3 LYS 68 2HD LYS 68 7.518 -14.015 0.564 526 HE2 LYS 68 1HE LYS 68 8.323 -12.393 -1.267 527 HE3 LYS 68 2HE LYS 68 9.923 -12.619 -0.563 528 HZ1 LYS 68 1HZ LYS 68 8.174 -14.678 -1.780 529 HZ2 LYS 68 2HZ LYS 68 9.537 -15.064 -0.856 530 HZ3 LYS 68 3HZ LYS 68 9.711 -14.187 -2.291 531 H GLU 69 H GLU 69 9.242 -9.142 4.374 532 HA GLU 69 HA GLU 69 6.635 -9.330 5.561 533 HB2 GLU 69 1HB GLU 69 9.248 -8.328 6.705 534 HB3 GLU 69 2HB GLU 69 7.784 -8.624 7.632 535 HG2 GLU 69 1HG GLU 69 7.905 -11.010 6.849 536 HG3 GLU 69 2HG GLU 69 9.507 -10.636 6.217 537 H GLY 70 H GLY 70 8.880 -6.695 4.785 538 HA2 GLY 70 1HA GLY 70 7.372 -4.598 5.891 539 HA3 GLY 70 2HA GLY 70 8.560 -4.430 4.608 540 H ILE 71 H ILE 71 7.613 -5.542 2.458 541 HA ILE 71 HA ILE 71 5.712 -3.821 1.443 542 HB ILE 71 HB ILE 71 6.245 -6.646 0.512 543 HG12 ILE 71 1HG1 ILE 71 7.490 -4.031 -0.366 544 HG13 ILE 71 2HG1 ILE 71 8.275 -5.237 0.646 545 HG21 ILE 71 1HG2 ILE 71 4.825 -4.318 -0.735 546 HG22 ILE 71 2HG2 ILE 71 5.555 -5.584 -1.720 547 HG23 ILE 71 3HG2 ILE 71 4.284 -5.988 -0.567 548 HD11 ILE 71 1HD1 ILE 71 7.525 -5.435 -2.247 549 HD12 ILE 71 2HD1 ILE 71 9.119 -5.583 -1.505 550 HD13 ILE 71 3HD1 ILE 71 7.918 -6.854 -1.277 551 H GLU 72 H GLU 72 5.238 -7.026 2.870 552 HA GLU 72 HA GLU 72 2.551 -7.398 2.306 553 HB2 GLU 72 1HB GLU 72 4.306 -8.285 4.570 554 HB3 GLU 72 2HB GLU 72 2.587 -8.654 4.592 555 HG2 GLU 72 1HG GLU 72 4.368 -9.371 2.285 556 HG3 GLU 72 2HG GLU 72 4.117 -10.434 3.668 557 H LYS 73 H LYS 73 4.010 -5.787 5.121 558 HA LYS 73 HA LYS 73 1.686 -5.148 6.494 559 HB2 LYS 73 1HB LYS 73 4.332 -3.715 6.301 560 HB3 LYS 73 2HB LYS 73 3.048 -3.184 7.379 561 HG2 LYS 73 1HG LYS 73 3.254 -5.024 8.752 562 HG3 LYS 73 2HG LYS 73 4.001 -6.010 7.492 563 HD2 LYS 73 1HD LYS 73 5.797 -5.530 8.873 564 HD3 LYS 73 2HD LYS 73 5.929 -4.274 7.641 565 HE2 LYS 73 1HE LYS 73 5.286 -2.612 9.072 566 HE3 LYS 73 2HE LYS 73 4.301 -3.693 10.057 567 HZ1 LYS 73 1HZ LYS 73 7.253 -3.866 10.026 568 HZ2 LYS 73 2HZ LYS 73 6.177 -4.494 11.170 569 HZ3 LYS 73 3HZ LYS 73 6.433 -2.824 11.077 570 H ALA 74 H ALA 74 3.477 -3.053 4.227 571 HA ALA 74 HA ALA 74 1.601 -0.975 4.173 572 HB1 ALA 74 1HB ALA 74 2.713 -0.660 1.783 573 HB2 ALA 74 2HB ALA 74 3.574 -0.283 3.276 574 HB3 ALA 74 3HB ALA 74 3.866 -1.816 2.452 575 H ARG 75 H ARG 75 1.852 -3.930 2.272 576 HA ARG 75 HA ARG 75 -0.152 -3.260 0.380 577 HB2 ARG 75 1HB ARG 75 1.682 -5.151 0.378 578 HB3 ARG 75 2HB ARG 75 0.409 -6.098 1.138 579 HG2 ARG 75 1HG ARG 75 -0.934 -6.047 -0.741 580 HG3 ARG 75 2HG ARG 75 -0.139 -4.613 -1.394 581 HD2 ARG 75 1HD ARG 75 0.638 -6.353 -2.742 582 HD3 ARG 75 2HD ARG 75 1.944 -6.090 -1.588 583 HE ARG 75 HE ARG 75 1.609 -8.207 -0.805 584 HH11 ARG 75 1HH1 ARG 75 -1.238 -7.190 -2.532 585 HH12 ARG 75 2HH1 ARG 75 -2.014 -8.735 -2.424 586 HH21 ARG 75 1HH2 ARG 75 0.596 -10.245 -0.655 587 HH22 ARG 75 2HH2 ARG 75 -0.971 -10.471 -1.354 588 H HIS 76 H HIS 76 -0.196 -4.851 3.515 589 HA HIS 76 HA HIS 76 -2.897 -5.731 3.373 590 HB2 HIS 76 1HB HIS 76 -1.037 -6.559 4.942 591 HB3 HIS 76 2HB HIS 76 -1.415 -5.152 5.930 592 HD1 HIS 76 HD1 HIS 76 -2.922 -8.385 4.724 593 HD2 HIS 76 HD2 HIS 76 -3.684 -5.376 7.486 594 HE1 HIS 76 HE1 HIS 76 -4.813 -9.240 6.146 595 H GLU 77 H GLU 77 -1.355 -2.747 4.278 596 HA GLU 77 HA GLU 77 -3.710 -1.669 5.559 597 HB2 GLU 77 1HB GLU 77 -1.076 -0.411 4.782 598 HB3 GLU 77 2HB GLU 77 -2.362 0.443 5.623 599 HG2 GLU 77 1HG GLU 77 -1.035 -2.040 6.675 600 HG3 GLU 77 2HG GLU 77 -0.531 -0.401 7.084 601 H VAL 78 H VAL 78 -1.892 -1.015 2.570 602 HA VAL 78 HA VAL 78 -3.588 0.965 1.551 603 HB VAL 78 HB VAL 78 -1.273 0.288 0.707 604 HG11 VAL 78 1HG1 VAL 78 -1.010 -1.448 -0.791 605 HG12 VAL 78 2HG1 VAL 78 -2.159 -2.136 0.358 606 HG13 VAL 78 3HG1 VAL 78 -2.726 -1.506 -1.189 607 HG21 VAL 78 1HG2 VAL 78 -2.420 2.027 -0.408 608 HG22 VAL 78 2HG2 VAL 78 -1.884 0.918 -1.671 609 HG23 VAL 78 3HG2 VAL 78 -3.567 0.903 -1.140 610 H LEU 79 H LEU 79 -3.833 -2.514 1.532 611 HA LEU 79 HA LEU 79 -5.947 -2.573 -0.432 612 HB2 LEU 79 1HB LEU 79 -4.533 -4.586 1.250 613 HB3 LEU 79 2HB LEU 79 -6.095 -5.008 0.553 614 HG LEU 79 HG LEU 79 -3.826 -4.011 -1.145 615 HD11 LEU 79 1HD1 LEU 79 -4.366 -6.915 -0.977 616 HD12 LEU 79 2HD1 LEU 79 -3.464 -6.186 0.351 617 HD13 LEU 79 3HD1 LEU 79 -2.862 -6.055 -1.301 618 HD21 LEU 79 1HD2 LEU 79 -5.751 -5.973 -2.157 619 HD22 LEU 79 2HD2 LEU 79 -5.151 -4.485 -2.889 620 HD23 LEU 79 3HD2 LEU 79 -6.460 -4.421 -1.708 621 H LEU 80 H LEU 80 -5.654 -2.668 3.067 622 HA LEU 80 HA LEU 80 -8.332 -3.389 3.627 623 HB2 LEU 80 1HB LEU 80 -6.066 -2.229 5.150 624 HB3 LEU 80 2HB LEU 80 -7.681 -2.055 5.835 625 HG LEU 80 HG LEU 80 -6.438 -4.699 5.085 626 HD11 LEU 80 1HD1 LEU 80 -5.241 -3.457 6.919 627 HD12 LEU 80 2HD1 LEU 80 -5.899 -5.029 7.367 628 HD13 LEU 80 3HD1 LEU 80 -6.736 -3.554 7.851 629 HD21 LEU 80 1HD2 LEU 80 -8.899 -3.966 6.666 630 HD22 LEU 80 2HD2 LEU 80 -8.244 -5.596 6.510 631 HD23 LEU 80 3HD2 LEU 80 -8.852 -4.749 5.087 632 H ILE 81 H ILE 81 -6.693 -0.244 3.441 633 HA ILE 81 HA ILE 81 -8.860 1.366 4.152 634 HB ILE 81 HB ILE 81 -6.620 2.025 2.234 635 HG12 ILE 81 1HG1 ILE 81 -6.768 2.819 5.130 636 HG13 ILE 81 2HG1 ILE 81 -6.108 1.256 4.661 637 HG21 ILE 81 1HG2 ILE 81 -7.141 4.300 2.517 638 HG22 ILE 81 2HG2 ILE 81 -8.686 3.505 2.219 639 HG23 ILE 81 3HG2 ILE 81 -8.235 3.967 3.859 640 HD11 ILE 81 1HD1 ILE 81 -4.898 3.870 4.579 641 HD12 ILE 81 2HD1 ILE 81 -4.157 2.276 4.431 642 HD13 ILE 81 3HD1 ILE 81 -4.825 3.073 3.008 643 H SER 82 H SER 82 -7.675 0.657 0.859 644 HA SER 82 HA SER 82 -9.709 1.876 -0.561 645 HB2 SER 82 1HB SER 82 -9.129 0.309 -2.408 646 HB3 SER 82 2HB SER 82 -7.711 1.049 -1.666 647 HG SER 82 HG SER 82 -7.259 -1.095 -1.815 648 H ALA 83 H ALA 83 -9.536 -1.506 0.529 649 HA ALA 83 HA ALA 83 -11.862 -2.506 -0.513 650 HB1 ALA 83 1HB ALA 83 -10.190 -3.126 1.811 651 HB2 ALA 83 2HB ALA 83 -11.858 -3.683 1.939 652 HB3 ALA 83 3HB ALA 83 -10.862 -4.192 0.576 653 H GLU 84 H GLU 84 -11.545 -0.925 2.671 654 HA GLU 84 HA GLU 84 -14.185 -0.984 3.452 655 HB2 GLU 84 1HB GLU 84 -11.896 0.833 4.017 656 HB3 GLU 84 2HB GLU 84 -13.499 1.370 4.505 657 HG2 GLU 84 1HG GLU 84 -12.490 -1.343 5.258 658 HG3 GLU 84 2HG GLU 84 -12.052 0.085 6.192 659 H GLN 85 H GLN 85 -12.569 1.418 1.408 660 HA GLN 85 HA GLN 85 -14.711 3.193 1.128 661 HB2 GLN 85 1HB GLN 85 -12.609 2.574 -0.953 662 HB3 GLN 85 2HB GLN 85 -13.555 4.051 -0.817 663 HG2 GLN 85 1HG GLN 85 -11.506 3.069 1.157 664 HG3 GLN 85 2HG GLN 85 -11.296 4.381 -0.003 665 HE21 GLN 85 1HE2 GLN 85 -10.804 4.961 2.539 666 HE22 GLN 85 2HE2 GLN 85 -12.063 5.924 3.225 667 H ASP 86 H ASP 86 -13.709 0.523 -1.007 668 HA ASP 86 HA ASP 86 -15.535 0.662 -2.998 669 HB2 ASP 86 1HB ASP 86 -14.077 -1.119 -3.229 670 HB3 ASP 86 2HB ASP 86 -14.317 -1.666 -1.571 671 H LYS 87 H LYS 87 -16.115 -0.621 0.247 672 HA LYS 87 HA LYS 87 -18.778 -1.464 -0.243 673 HB2 LYS 87 1HB LYS 87 -17.397 -2.297 1.635 674 HB3 LYS 87 2HB LYS 87 -17.478 -0.705 2.380 675 HG2 LYS 87 1HG LYS 87 -19.976 -0.967 2.427 676 HG3 LYS 87 2HG LYS 87 -19.732 -2.644 1.934 677 HD2 LYS 87 1HD LYS 87 -18.238 -1.592 4.293 678 HD3 LYS 87 2HD LYS 87 -19.944 -2.007 4.472 679 HE2 LYS 87 1HE LYS 87 -19.572 -4.253 3.977 680 HE3 LYS 87 2HE LYS 87 -18.020 -3.924 3.208 681 HZ1 LYS 87 1HZ LYS 87 -17.434 -3.112 5.619 682 HZ2 LYS 87 2HZ LYS 87 -17.319 -4.745 5.193 683 HZ3 LYS 87 3HZ LYS 87 -18.668 -4.187 6.049 684 H ARG 88 H ARG 88 -17.673 1.244 1.801 685 HA ARG 88 HA ARG 88 -20.188 2.501 1.901 686 HB2 ARG 88 1HB ARG 88 -18.973 4.440 2.795 687 HB3 ARG 88 2HB ARG 88 -18.452 2.943 3.556 688 HG2 ARG 88 1HG ARG 88 -16.425 2.922 2.325 689 HG3 ARG 88 2HG ARG 88 -16.976 4.230 1.277 690 HD2 ARG 88 1HD ARG 88 -16.761 4.633 4.236 691 HD3 ARG 88 2HD ARG 88 -15.333 4.760 3.209 692 HE ARG 88 HE ARG 88 -17.131 6.374 1.986 693 HH11 ARG 88 1HH1 ARG 88 -15.935 6.145 5.247 694 HH12 ARG 88 2HH1 ARG 88 -16.128 7.835 5.575 695 HH21 ARG 88 1HH2 ARG 88 -17.390 8.601 2.405 696 HH22 ARG 88 2HH2 ARG 88 -16.956 9.231 3.958 697 H SER 89 H SER 89 -21.024 4.280 0.814 698 HA SER 89 HA SER 89 -20.386 4.459 -1.943 699 HB2 SER 89 1HB SER 89 -22.662 4.843 -1.064 700 HB3 SER 89 2HB SER 89 -22.098 6.308 -0.261 701 HG SER 89 HG SER 89 -22.868 5.964 -2.815 702 H GLY 90 H GLY 90 -20.163 6.918 0.641 703 HA2 GLY 90 1HA GLY 90 -17.677 7.850 0.409 704 HA3 GLY 90 2HA GLY 90 -18.410 8.527 -1.038 705 HA PRO 91 HA PRO 91 -19.622 11.998 1.369 706 HB2 PRO 91 1HB PRO 91 -21.635 12.934 -0.193 707 HB3 PRO 91 2HB PRO 91 -19.929 13.090 -0.629 708 HG2 PRO 91 1HG PRO 91 -21.947 11.087 -1.565 709 HG3 PRO 91 2HG PRO 91 -20.724 11.964 -2.501 710 HD2 PRO 91 1HD PRO 91 -20.386 9.398 -1.707 711 HD3 PRO 91 2HD PRO 91 -19.031 10.534 -1.869 712 H SER 92 H SER 92 -21.647 9.319 0.789 713 HA SER 92 HA SER 92 -24.131 9.833 1.623 714 HB2 SER 92 1HB SER 92 -22.824 7.549 1.342 715 HB3 SER 92 2HB SER 92 -22.753 7.629 3.102 716 HG SER 92 HG SER 92 -24.939 7.555 3.204 717 H SER 93 H SER 93 -25.232 10.442 3.417 718 HA SER 93 HA SER 93 -23.927 11.940 5.397 719 HB2 SER 93 1HB SER 93 -26.128 12.014 6.519 720 HB3 SER 93 2HB SER 93 -26.264 12.337 4.791 721 HG SER 93 HG SER 93 -27.210 10.209 6.280 722 H GLY 94 H GLY 94 -23.000 11.411 7.272 723 HA2 GLY 94 1HA GLY 94 -23.255 10.051 9.346 724 HA3 GLY 94 2HA GLY 94 -23.428 8.665 8.280 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -12.162 -15.168 3.975 2 HA2 GLY 1 1HA GLY 1 -9.949 -15.340 4.901 3 HA3 GLY 1 2HA GLY 1 -10.673 -15.760 6.446 4 H SER 2 H SER 2 -8.604 -17.176 4.989 5 HA SER 2 HA SER 2 -9.854 -19.552 3.917 6 HB2 SER 2 1HB SER 2 -6.931 -19.048 4.520 7 HB3 SER 2 2HB SER 2 -7.590 -20.335 3.510 8 HG SER 2 HG SER 2 -7.105 -17.712 2.908 9 H SER 3 H SER 3 -10.726 -20.985 5.254 10 HA SER 3 HA SER 3 -10.411 -21.195 7.972 11 HB2 SER 3 1HB SER 3 -12.203 -22.351 6.815 12 HB3 SER 3 2HB SER 3 -11.046 -23.395 5.991 13 HG SER 3 HG SER 3 -12.064 -23.561 8.533 14 H GLY 4 H GLY 4 -8.695 -23.088 5.488 15 HA2 GLY 4 1HA GLY 4 -6.292 -23.151 7.028 16 HA3 GLY 4 2HA GLY 4 -7.142 -24.687 7.111 17 H SER 5 H SER 5 -4.535 -23.968 5.906 18 HA SER 5 HA SER 5 -4.904 -25.393 3.425 19 HB2 SER 5 1HB SER 5 -3.843 -23.703 2.003 20 HB3 SER 5 2HB SER 5 -5.318 -23.062 2.725 21 HG SER 5 HG SER 5 -4.169 -21.731 3.946 22 H SER 6 H SER 6 -3.030 -26.376 2.688 23 HA SER 6 HA SER 6 -0.597 -25.926 4.279 24 HB2 SER 6 1HB SER 6 -2.064 -28.492 3.792 25 HB3 SER 6 2HB SER 6 -0.308 -28.522 3.954 26 HG SER 6 HG SER 6 -1.102 -28.769 5.988 27 H GLY 7 H GLY 7 1.043 -25.401 3.005 28 HA2 GLY 7 1HA GLY 7 1.997 -26.856 0.857 29 HA3 GLY 7 2HA GLY 7 0.912 -25.656 0.168 30 H ASP 8 H ASP 8 3.352 -25.630 2.769 31 HA ASP 8 HA ASP 8 4.254 -23.013 1.944 32 HB2 ASP 8 1HB ASP 8 4.213 -23.384 4.295 33 HB3 ASP 8 2HB ASP 8 5.103 -24.896 4.143 34 H ILE 9 H ILE 9 5.055 -23.433 -0.154 35 HA ILE 9 HA ILE 9 6.947 -25.382 -0.815 36 HB ILE 9 HB ILE 9 7.490 -23.983 -2.765 37 HG12 ILE 9 1HG1 ILE 9 5.854 -21.874 -2.865 38 HG13 ILE 9 2HG1 ILE 9 6.091 -21.930 -1.121 39 HG21 ILE 9 1HG2 ILE 9 4.532 -24.056 -2.189 40 HG22 ILE 9 2HG2 ILE 9 5.294 -24.005 -3.778 41 HG23 ILE 9 3HG2 ILE 9 5.491 -25.425 -2.751 42 HD11 ILE 9 1HD1 ILE 9 7.669 -20.416 -2.111 43 HD12 ILE 9 2HD1 ILE 9 8.526 -21.828 -1.490 44 HD13 ILE 9 3HD1 ILE 9 8.229 -21.668 -3.220 45 H VAL 10 H VAL 10 9.220 -25.110 -1.320 46 HA VAL 10 HA VAL 10 10.762 -24.224 0.789 47 HB VAL 10 HB VAL 10 11.603 -24.482 -2.101 48 HG11 VAL 10 1HG1 VAL 10 13.874 -24.845 -1.099 49 HG12 VAL 10 2HG1 VAL 10 13.257 -23.197 -0.967 50 HG13 VAL 10 3HG1 VAL 10 13.217 -24.272 0.432 51 HG21 VAL 10 1HG2 VAL 10 10.926 -26.413 -0.059 52 HG22 VAL 10 2HG2 VAL 10 11.250 -26.658 -1.775 53 HG23 VAL 10 3HG2 VAL 10 12.584 -26.622 -0.622 54 H ALA 11 H ALA 11 10.925 -22.229 1.565 55 HA ALA 11 HA ALA 11 10.375 -19.888 0.068 56 HB1 ALA 11 1HB ALA 11 11.592 -18.840 2.166 57 HB2 ALA 11 2HB ALA 11 9.974 -19.531 2.287 58 HB3 ALA 11 3HB ALA 11 11.374 -20.469 2.806 59 H ARG 12 H ARG 12 11.654 -18.617 -1.125 60 HA ARG 12 HA ARG 12 14.565 -18.881 -0.874 61 HB2 ARG 12 1HB ARG 12 12.909 -19.314 -3.328 62 HB3 ARG 12 2HB ARG 12 14.519 -18.625 -3.488 63 HG2 ARG 12 1HG ARG 12 14.182 -21.112 -1.891 64 HG3 ARG 12 2HG ARG 12 14.122 -21.211 -3.652 65 HD2 ARG 12 1HD ARG 12 16.363 -20.024 -2.017 66 HD3 ARG 12 2HD ARG 12 16.384 -21.600 -2.809 67 HE ARG 12 HE ARG 12 15.825 -19.651 -4.736 68 HH11 ARG 12 1HH1 ARG 12 18.433 -20.659 -2.663 69 HH12 ARG 12 2HH1 ARG 12 19.675 -20.102 -3.736 70 HH21 ARG 12 1HH2 ARG 12 17.450 -18.915 -6.157 71 HH22 ARG 12 2HH2 ARG 12 19.114 -19.110 -5.723 72 H LEU 13 H LEU 13 15.469 -16.956 -0.616 73 HA LEU 13 HA LEU 13 14.014 -14.581 -1.569 74 HB2 LEU 13 1HB LEU 13 16.068 -14.814 0.625 75 HB3 LEU 13 2HB LEU 13 15.250 -13.331 0.138 76 HG LEU 13 HG LEU 13 13.099 -14.767 0.742 77 HD11 LEU 13 1HD1 LEU 13 15.136 -15.858 2.668 78 HD12 LEU 13 2HD1 LEU 13 14.541 -16.756 1.272 79 HD13 LEU 13 3HD1 LEU 13 13.425 -16.268 2.547 80 HD21 LEU 13 1HD2 LEU 13 13.270 -13.804 3.052 81 HD22 LEU 13 2HD2 LEU 13 13.541 -12.653 1.742 82 HD23 LEU 13 3HD2 LEU 13 14.911 -13.299 2.648 83 H GLN 14 H GLN 14 14.832 -14.337 -3.608 84 HA GLN 14 HA GLN 14 17.611 -14.591 -4.211 85 HB2 GLN 14 1HB GLN 14 15.378 -13.316 -5.801 86 HB3 GLN 14 2HB GLN 14 16.984 -13.679 -6.418 87 HG2 GLN 14 1HG GLN 14 16.589 -16.063 -6.019 88 HG3 GLN 14 2HG GLN 14 14.969 -15.686 -5.434 89 HE21 GLN 14 1HE2 GLN 14 16.833 -16.476 -8.101 90 HE22 GLN 14 2HE2 GLN 14 15.672 -16.145 -9.337 91 H THR 15 H THR 15 15.442 -11.756 -4.249 92 HA THR 15 HA THR 15 17.362 -10.097 -2.938 93 HB THR 15 HB THR 15 18.397 -10.111 -5.155 94 HG1 THR 15 HG1 THR 15 18.506 -8.163 -3.997 95 HG21 THR 15 1HG2 THR 15 15.615 -9.632 -6.008 96 HG22 THR 15 2HG2 THR 15 16.937 -10.444 -6.849 97 HG23 THR 15 3HG2 THR 15 16.841 -8.683 -6.848 98 H GLN 16 H GLN 16 16.614 -7.719 -3.049 99 HA GLN 16 HA GLN 16 14.195 -7.380 -1.898 100 HB2 GLN 16 1HB GLN 16 15.665 -5.499 -3.740 101 HB3 GLN 16 2HB GLN 16 14.229 -5.023 -2.843 102 HG2 GLN 16 1HG GLN 16 16.670 -6.143 -1.505 103 HG3 GLN 16 2HG GLN 16 16.462 -4.422 -1.826 104 HE21 GLN 16 1HE2 GLN 16 14.756 -3.308 -0.786 105 HE22 GLN 16 2HE2 GLN 16 14.073 -3.904 0.684 106 H ALA 17 H ALA 17 12.108 -7.426 -2.457 107 HA ALA 17 HA ALA 17 11.463 -7.867 -5.286 108 HB1 ALA 17 1HB ALA 17 9.157 -8.382 -3.904 109 HB2 ALA 17 2HB ALA 17 10.356 -9.587 -4.381 110 HB3 ALA 17 3HB ALA 17 10.405 -8.886 -2.763 111 H SER 18 H SER 18 9.226 -7.034 -5.926 112 HA SER 18 HA SER 18 8.471 -4.531 -4.654 113 HB2 SER 18 1HB SER 18 8.522 -3.469 -7.048 114 HB3 SER 18 2HB SER 18 10.002 -3.528 -6.091 115 HG SER 18 HG SER 18 10.342 -4.263 -8.228 116 H ALA 19 H ALA 19 6.332 -4.409 -4.602 117 HA ALA 19 HA ALA 19 4.791 -5.783 -6.707 118 HB1 ALA 19 1HB ALA 19 4.519 -5.890 -3.750 119 HB2 ALA 19 2HB ALA 19 3.049 -5.944 -4.724 120 HB3 ALA 19 3HB ALA 19 4.306 -7.161 -4.954 121 H THR 20 H THR 20 2.459 -4.972 -6.759 122 HA THR 20 HA THR 20 2.263 -2.120 -6.111 123 HB THR 20 HB THR 20 1.095 -1.911 -8.443 124 HG1 THR 20 HG1 THR 20 1.255 -4.051 -9.103 125 HG21 THR 20 1HG2 THR 20 3.673 -1.787 -9.356 126 HG22 THR 20 2HG2 THR 20 3.891 -1.668 -7.609 127 HG23 THR 20 3HG2 THR 20 2.855 -0.514 -8.449 128 H VAL 21 H VAL 21 0.047 -1.291 -6.256 129 HA VAL 21 HA VAL 21 -2.013 -3.378 -6.072 130 HB VAL 21 HB VAL 21 -1.524 -2.904 -3.787 131 HG11 VAL 21 1HG1 VAL 21 -0.512 -0.571 -4.551 132 HG12 VAL 21 2HG1 VAL 21 -2.087 0.001 -3.997 133 HG13 VAL 21 3HG1 VAL 21 -1.024 -0.872 -2.892 134 HG21 VAL 21 1HG2 VAL 21 -3.757 -1.186 -3.581 135 HG22 VAL 21 2HG2 VAL 21 -4.029 -2.231 -4.975 136 HG23 VAL 21 3HG2 VAL 21 -3.709 -2.939 -3.392 137 H ALA 22 H ALA 22 -3.394 -2.961 -7.662 138 HA ALA 22 HA ALA 22 -3.707 -0.405 -8.860 139 HB1 ALA 22 1HB ALA 22 -5.738 -1.577 -9.939 140 HB2 ALA 22 2HB ALA 22 -4.119 -2.178 -10.303 141 HB3 ALA 22 3HB ALA 22 -5.132 -3.025 -9.133 142 H ILE 23 H ILE 23 -4.671 1.256 -7.899 143 HA ILE 23 HA ILE 23 -7.294 0.844 -6.672 144 HB ILE 23 HB ILE 23 -6.558 2.543 -4.871 145 HG12 ILE 23 1HG1 ILE 23 -3.867 1.370 -5.605 146 HG13 ILE 23 2HG1 ILE 23 -4.361 3.029 -5.925 147 HG21 ILE 23 1HG2 ILE 23 -6.881 0.728 -3.639 148 HG22 ILE 23 2HG2 ILE 23 -6.491 -0.304 -5.014 149 HG23 ILE 23 3HG2 ILE 23 -5.210 0.250 -3.936 150 HD11 ILE 23 1HD1 ILE 23 -3.735 3.647 -3.899 151 HD12 ILE 23 2HD1 ILE 23 -4.757 2.415 -3.158 152 HD13 ILE 23 3HD1 ILE 23 -3.107 2.020 -3.640 153 HA PRO 24 HA PRO 24 -8.404 4.551 -8.746 154 HB2 PRO 24 1HB PRO 24 -10.235 5.601 -7.039 155 HB3 PRO 24 2HB PRO 24 -10.554 4.172 -8.031 156 HG2 PRO 24 1HG PRO 24 -9.765 4.338 -5.148 157 HG3 PRO 24 2HG PRO 24 -10.981 3.301 -5.918 158 HD2 PRO 24 1HD PRO 24 -8.513 2.406 -5.255 159 HD3 PRO 24 2HD PRO 24 -9.405 1.791 -6.660 160 H LYS 25 H LYS 25 -7.732 6.625 -8.915 161 HA LYS 25 HA LYS 25 -5.749 7.661 -7.284 162 HB2 LYS 25 1HB LYS 25 -7.672 9.245 -9.000 163 HB3 LYS 25 2HB LYS 25 -6.091 9.781 -8.444 164 HG2 LYS 25 1HG LYS 25 -6.399 7.325 -10.132 165 HG3 LYS 25 2HG LYS 25 -6.309 8.936 -10.848 166 HD2 LYS 25 1HD LYS 25 -4.248 8.027 -8.872 167 HD3 LYS 25 2HD LYS 25 -4.133 7.555 -10.569 168 HE2 LYS 25 1HE LYS 25 -4.417 10.410 -9.651 169 HE3 LYS 25 2HE LYS 25 -2.861 9.631 -9.932 170 HZ1 LYS 25 1HZ LYS 25 -3.695 10.938 -11.842 171 HZ2 LYS 25 2HZ LYS 25 -4.993 9.864 -11.983 172 HZ3 LYS 25 3HZ LYS 25 -3.410 9.314 -12.216 173 H GLU 26 H GLU 26 -9.086 7.503 -6.698 174 HA GLU 26 HA GLU 26 -9.309 9.818 -5.024 175 HB2 GLU 26 1HB GLU 26 -11.515 9.225 -4.729 176 HB3 GLU 26 2HB GLU 26 -11.167 8.441 -6.263 177 HG2 GLU 26 1HG GLU 26 -10.529 6.429 -4.665 178 HG3 GLU 26 2HG GLU 26 -11.657 7.257 -3.593 179 H HIS 27 H HIS 27 -8.399 6.488 -4.578 180 HA HIS 27 HA HIS 27 -8.494 6.712 -1.675 181 HB2 HIS 27 1HB HIS 27 -7.734 4.419 -3.493 182 HB3 HIS 27 2HB HIS 27 -7.728 4.331 -1.734 183 HD1 HIS 27 HD1 HIS 27 -9.520 2.438 -3.299 184 HD2 HIS 27 HD2 HIS 27 -10.763 6.154 -1.919 185 HE1 HIS 27 HE1 HIS 27 -12.027 2.295 -3.148 186 H HIS 28 H HIS 28 -6.347 7.408 -4.144 187 HA HIS 28 HA HIS 28 -3.882 6.611 -3.026 188 HB2 HIS 28 1HB HIS 28 -4.716 8.611 -5.089 189 HB3 HIS 28 2HB HIS 28 -3.063 8.647 -4.483 190 HD2 HIS 28 HD2 HIS 28 -4.915 5.265 -5.218 191 HE1 HIS 28 HE1 HIS 28 -1.729 5.729 -7.981 192 HE2 HIS 28 HE2 HIS 28 -3.584 4.226 -7.178 193 H ARG 29 H ARG 29 -5.838 9.521 -2.662 194 HA ARG 29 HA ARG 29 -3.897 10.947 -1.130 195 HB2 ARG 29 1HB ARG 29 -5.646 12.562 -0.736 196 HB3 ARG 29 2HB ARG 29 -5.715 12.047 -2.417 197 HG2 ARG 29 1HG ARG 29 -7.631 10.716 -2.029 198 HG3 ARG 29 2HG ARG 29 -7.462 10.864 -0.279 199 HD2 ARG 29 1HD ARG 29 -9.113 12.404 -0.670 200 HD3 ARG 29 2HD ARG 29 -7.682 13.428 -0.792 201 HE ARG 29 HE ARG 29 -8.217 13.800 -2.974 202 HH11 ARG 29 1HH1 ARG 29 -9.767 10.857 -1.945 203 HH12 ARG 29 2HH1 ARG 29 -10.627 10.637 -3.433 204 HH21 ARG 29 1HH2 ARG 29 -9.344 13.520 -4.937 205 HH22 ARG 29 2HH2 ARG 29 -10.386 12.151 -5.134 206 H PHE 30 H PHE 30 -6.453 8.693 -0.399 207 HA PHE 30 HA PHE 30 -6.652 9.247 2.376 208 HB2 PHE 30 1HB PHE 30 -7.533 7.042 0.572 209 HB3 PHE 30 2HB PHE 30 -7.509 6.731 2.305 210 HD1 PHE 30 HD1 PHE 30 -8.438 9.068 3.574 211 HD2 PHE 30 HD2 PHE 30 -9.660 7.445 -0.166 212 HE1 PHE 30 HE1 PHE 30 -10.617 10.185 3.806 213 HE2 PHE 30 HE2 PHE 30 -11.841 8.560 0.060 214 HZ PHE 30 HZ PHE 30 -12.322 9.933 2.046 215 H VAL 31 H VAL 31 -4.335 7.587 0.483 216 HA VAL 31 HA VAL 31 -3.295 6.068 2.748 217 HB VAL 31 HB VAL 31 -2.393 6.186 -0.132 218 HG11 VAL 31 1HG1 VAL 31 -1.162 4.028 0.697 219 HG12 VAL 31 2HG1 VAL 31 -0.435 5.619 0.929 220 HG13 VAL 31 3HG1 VAL 31 -1.263 4.823 2.268 221 HG21 VAL 31 1HG2 VAL 31 -4.567 5.082 0.262 222 HG22 VAL 31 2HG2 VAL 31 -3.330 3.963 -0.314 223 HG23 VAL 31 3HG2 VAL 31 -3.777 3.982 1.392 224 H ILE 32 H ILE 32 -2.526 8.853 0.766 225 HA ILE 32 HA ILE 32 0.136 9.193 1.721 226 HB ILE 32 HB ILE 32 -1.738 11.182 0.435 227 HG12 ILE 32 1HG1 ILE 32 0.593 9.682 -0.769 228 HG13 ILE 32 2HG1 ILE 32 -1.081 9.157 -0.910 229 HG21 ILE 32 1HG2 ILE 32 0.375 12.435 -0.057 230 HG22 ILE 32 2HG2 ILE 32 -0.094 12.411 1.642 231 HG23 ILE 32 3HG2 ILE 32 1.200 11.358 1.070 232 HD11 ILE 32 1HD1 ILE 32 -1.115 10.340 -2.789 233 HD12 ILE 32 2HD1 ILE 32 -1.184 11.765 -1.751 234 HD13 ILE 32 3HD1 ILE 32 0.367 11.202 -2.374 235 H GLY 33 H GLY 33 -2.995 10.603 2.607 236 HA2 GLY 33 1HA GLY 33 -3.243 10.911 5.081 237 HA3 GLY 33 2HA GLY 33 -1.694 11.736 5.007 238 H LYS 34 H LYS 34 -4.533 12.549 5.763 239 HA LYS 34 HA LYS 34 -5.814 14.236 4.114 240 HB2 LYS 34 1HB LYS 34 -6.452 13.950 6.450 241 HB3 LYS 34 2HB LYS 34 -5.029 14.844 6.971 242 HG2 LYS 34 1HG LYS 34 -5.876 16.876 6.125 243 HG3 LYS 34 2HG LYS 34 -7.149 16.053 5.221 244 HD2 LYS 34 1HD LYS 34 -8.304 15.472 7.221 245 HD3 LYS 34 2HD LYS 34 -6.946 15.984 8.225 246 HE2 LYS 34 1HE LYS 34 -8.348 17.910 6.405 247 HE3 LYS 34 2HE LYS 34 -8.981 17.549 8.010 248 HZ1 LYS 34 1HZ LYS 34 -7.591 19.082 8.769 249 HZ2 LYS 34 2HZ LYS 34 -6.816 19.235 7.274 250 HZ3 LYS 34 3HZ LYS 34 -6.305 18.057 8.375 251 H ASN 35 H ASN 35 -2.797 15.017 5.813 252 HA ASN 35 HA ASN 35 -2.524 17.387 4.088 253 HB2 ASN 35 1HB ASN 35 -1.604 16.800 6.881 254 HB3 ASN 35 2HB ASN 35 -0.735 17.981 5.904 255 HD21 ASN 35 1HD2 ASN 35 -3.824 17.178 7.342 256 HD22 ASN 35 2HD2 ASN 35 -4.456 18.787 7.343 257 H GLY 36 H GLY 36 -1.053 14.408 5.128 258 HA2 GLY 36 1HA GLY 36 0.381 13.428 3.309 259 HA3 GLY 36 2HA GLY 36 1.241 14.960 3.349 260 H GLU 37 H GLU 37 0.055 12.957 6.028 261 HA GLU 37 HA GLU 37 2.852 12.590 6.876 262 HB2 GLU 37 1HB GLU 37 2.086 12.788 9.221 263 HB3 GLU 37 2HB GLU 37 1.856 14.270 8.302 264 HG2 GLU 37 1HG GLU 37 -0.447 14.026 8.236 265 HG3 GLU 37 2HG GLU 37 -0.374 12.299 8.583 266 H LYS 38 H LYS 38 0.018 11.127 5.956 267 HA LYS 38 HA LYS 38 0.054 8.851 7.694 268 HB2 LYS 38 1HB LYS 38 -2.032 9.431 6.687 269 HB3 LYS 38 2HB LYS 38 -1.331 9.415 5.074 270 HG2 LYS 38 1HG LYS 38 -2.634 7.445 5.317 271 HG3 LYS 38 2HG LYS 38 -0.935 6.965 5.357 272 HD2 LYS 38 1HD LYS 38 -1.064 6.970 7.847 273 HD3 LYS 38 2HD LYS 38 -2.797 7.271 7.710 274 HE2 LYS 38 1HE LYS 38 -1.315 4.880 6.620 275 HE3 LYS 38 2HE LYS 38 -2.338 4.899 8.056 276 HZ1 LYS 38 1HZ LYS 38 -3.833 4.163 6.539 277 HZ2 LYS 38 2HZ LYS 38 -3.095 4.949 5.236 278 HZ3 LYS 38 3HZ LYS 38 -4.064 5.823 6.312 279 H LEU 39 H LEU 39 1.050 9.422 4.327 280 HA LEU 39 HA LEU 39 1.962 6.853 3.751 281 HB2 LEU 39 1HB LEU 39 1.862 8.142 1.876 282 HB3 LEU 39 2HB LEU 39 2.488 9.573 2.695 283 HG LEU 39 HG LEU 39 4.751 8.404 2.665 284 HD11 LEU 39 1HD1 LEU 39 3.610 6.174 2.068 285 HD12 LEU 39 2HD1 LEU 39 5.126 6.587 1.266 286 HD13 LEU 39 3HD1 LEU 39 3.593 6.799 0.418 287 HD21 LEU 39 1HD2 LEU 39 3.993 10.277 1.165 288 HD22 LEU 39 2HD2 LEU 39 3.602 9.052 -0.041 289 HD23 LEU 39 3HD2 LEU 39 5.267 9.249 0.509 290 H GLN 40 H GLN 40 3.726 9.628 5.094 291 HA GLN 40 HA GLN 40 6.271 8.604 5.207 292 HB2 GLN 40 1HB GLN 40 5.014 10.206 7.435 293 HB3 GLN 40 2HB GLN 40 6.715 10.146 6.992 294 HG2 GLN 40 1HG GLN 40 5.886 11.064 4.712 295 HG3 GLN 40 2HG GLN 40 4.453 11.530 5.627 296 HE21 GLN 40 1HE2 GLN 40 7.931 11.538 6.328 297 HE22 GLN 40 2HE2 GLN 40 8.010 13.202 6.781 298 H ASP 41 H ASP 41 3.930 8.448 7.898 299 HA ASP 41 HA ASP 41 5.327 6.821 9.604 300 HB2 ASP 41 1HB ASP 41 3.029 7.922 9.926 301 HB3 ASP 41 2HB ASP 41 2.364 6.471 9.181 302 H LEU 42 H LEU 42 3.282 5.832 6.886 303 HA LEU 42 HA LEU 42 3.434 3.061 7.302 304 HB2 LEU 42 1HB LEU 42 2.778 4.836 5.020 305 HB3 LEU 42 2HB LEU 42 3.149 3.152 4.655 306 HG LEU 42 HG LEU 42 1.051 3.910 6.668 307 HD11 LEU 42 1HD1 LEU 42 0.256 5.005 4.757 308 HD12 LEU 42 2HD1 LEU 42 -0.551 3.437 4.742 309 HD13 LEU 42 3HD1 LEU 42 0.827 3.728 3.680 310 HD21 LEU 42 1HD2 LEU 42 2.198 1.513 6.077 311 HD22 LEU 42 2HD2 LEU 42 0.794 1.509 5.008 312 HD23 LEU 42 3HD2 LEU 42 0.579 1.719 6.747 313 H GLU 43 H GLU 43 5.336 5.136 5.113 314 HA GLU 43 HA GLU 43 7.023 3.259 4.033 315 HB2 GLU 43 1HB GLU 43 7.283 6.158 4.648 316 HB3 GLU 43 2HB GLU 43 8.750 5.286 4.227 317 HG2 GLU 43 1HG GLU 43 7.672 4.539 2.140 318 HG3 GLU 43 2HG GLU 43 6.257 5.505 2.556 319 H LEU 44 H LEU 44 7.118 4.678 7.231 320 HA LEU 44 HA LEU 44 9.690 3.523 7.867 321 HB2 LEU 44 1HB LEU 44 7.669 5.150 9.355 322 HB3 LEU 44 2HB LEU 44 8.955 4.320 10.229 323 HG LEU 44 HG LEU 44 9.452 6.310 8.021 324 HD11 LEU 44 1HD1 LEU 44 9.166 7.997 9.434 325 HD12 LEU 44 2HD1 LEU 44 10.142 7.206 10.670 326 HD13 LEU 44 3HD1 LEU 44 8.419 6.856 10.550 327 HD21 LEU 44 1HD2 LEU 44 11.495 5.421 8.160 328 HD22 LEU 44 2HD2 LEU 44 11.114 4.555 9.648 329 HD23 LEU 44 3HD2 LEU 44 11.615 6.245 9.714 330 H LYS 45 H LYS 45 6.508 3.226 9.453 331 HA LYS 45 HA LYS 45 6.900 1.068 11.021 332 HB2 LYS 45 1HB LYS 45 4.749 2.370 10.667 333 HB3 LYS 45 2HB LYS 45 4.435 1.311 9.298 334 HG2 LYS 45 1HG LYS 45 4.766 -0.597 11.018 335 HG3 LYS 45 2HG LYS 45 4.479 0.669 12.215 336 HD2 LYS 45 1HD LYS 45 2.606 0.295 9.906 337 HD3 LYS 45 2HD LYS 45 2.473 -0.718 11.345 338 HE2 LYS 45 1HE LYS 45 2.207 1.259 12.733 339 HE3 LYS 45 2HE LYS 45 2.412 2.298 11.324 340 HZ1 LYS 45 1HZ LYS 45 0.217 2.199 11.115 341 HZ2 LYS 45 2HZ LYS 45 0.073 0.959 12.256 342 HZ3 LYS 45 3HZ LYS 45 0.391 0.585 10.638 343 H THR 46 H THR 46 6.461 1.016 7.531 344 HA THR 46 HA THR 46 6.741 -1.904 7.519 345 HB THR 46 HB THR 46 5.978 -1.879 5.248 346 HG1 THR 46 HG1 THR 46 6.441 0.905 5.453 347 HG21 THR 46 1HG2 THR 46 4.143 -1.778 6.731 348 HG22 THR 46 2HG2 THR 46 3.804 -0.573 5.488 349 HG23 THR 46 3HG2 THR 46 4.408 -0.067 7.066 350 H ALA 47 H ALA 47 8.519 0.952 7.001 351 HA ALA 47 HA ALA 47 10.625 1.382 6.252 352 HB1 ALA 47 1HB ALA 47 11.916 -1.071 6.158 353 HB2 ALA 47 2HB ALA 47 11.871 0.047 7.522 354 HB3 ALA 47 3HB ALA 47 10.697 -1.265 7.418 355 H THR 48 H THR 48 8.607 0.863 4.286 356 HA THR 48 HA THR 48 10.172 -0.416 2.145 357 HB THR 48 HB THR 48 8.073 -0.693 0.922 358 HG1 THR 48 HG1 THR 48 6.586 0.093 3.174 359 HG21 THR 48 1HG2 THR 48 8.731 -2.498 2.403 360 HG22 THR 48 2HG2 THR 48 6.978 -2.320 2.430 361 HG23 THR 48 3HG2 THR 48 7.947 -1.701 3.766 362 H LYS 49 H LYS 49 9.464 0.544 -0.098 363 HA LYS 49 HA LYS 49 9.706 3.473 0.115 364 HB2 LYS 49 1HB LYS 49 11.696 2.458 -0.843 365 HB3 LYS 49 2HB LYS 49 10.723 1.599 -2.029 366 HG2 LYS 49 1HG LYS 49 11.610 3.394 -3.211 367 HG3 LYS 49 2HG LYS 49 9.971 3.914 -2.815 368 HD2 LYS 49 1HD LYS 49 11.298 5.776 -2.319 369 HD3 LYS 49 2HD LYS 49 11.026 5.013 -0.750 370 HE2 LYS 49 1HE LYS 49 13.317 5.545 -0.800 371 HE3 LYS 49 2HE LYS 49 13.232 3.813 -1.117 372 HZ1 LYS 49 1HZ LYS 49 14.661 4.479 -2.745 373 HZ2 LYS 49 2HZ LYS 49 13.948 6.001 -2.931 374 HZ3 LYS 49 3HZ LYS 49 13.199 4.631 -3.583 375 H ILE 50 H ILE 50 7.342 3.512 0.230 376 HA ILE 50 HA ILE 50 5.716 2.589 -1.893 377 HB ILE 50 HB ILE 50 5.159 4.818 0.068 378 HG12 ILE 50 1HG1 ILE 50 4.282 1.930 0.206 379 HG13 ILE 50 2HG1 ILE 50 5.703 2.549 1.043 380 HG21 ILE 50 1HG2 ILE 50 3.772 4.376 -2.174 381 HG22 ILE 50 2HG2 ILE 50 2.986 3.203 -1.120 382 HG23 ILE 50 3HG2 ILE 50 3.019 4.909 -0.671 383 HD11 ILE 50 1HD1 ILE 50 3.037 2.526 1.925 384 HD12 ILE 50 2HD1 ILE 50 4.445 3.226 2.726 385 HD13 ILE 50 3HD1 ILE 50 3.465 4.212 1.640 386 H GLN 51 H GLN 51 5.379 3.393 -3.856 387 HA GLN 51 HA GLN 51 6.118 6.199 -4.370 388 HB2 GLN 51 1HB GLN 51 7.567 4.206 -5.342 389 HB3 GLN 51 2HB GLN 51 6.292 4.172 -6.552 390 HG2 GLN 51 1HG GLN 51 7.935 5.544 -7.466 391 HG3 GLN 51 2HG GLN 51 6.725 6.663 -6.840 392 HE21 GLN 51 1HE2 GLN 51 9.971 5.693 -6.762 393 HE22 GLN 51 2HE2 GLN 51 10.511 6.758 -5.513 394 H ILE 52 H ILE 52 4.368 7.348 -4.816 395 HA ILE 52 HA ILE 52 2.073 6.027 -6.084 396 HB ILE 52 HB ILE 52 2.208 8.690 -4.664 397 HG12 ILE 52 1HG1 ILE 52 0.726 6.256 -3.713 398 HG13 ILE 52 2HG1 ILE 52 2.436 6.456 -3.348 399 HG21 ILE 52 1HG2 ILE 52 -0.308 7.243 -5.394 400 HG22 ILE 52 2HG2 ILE 52 -0.069 8.948 -5.014 401 HG23 ILE 52 3HG2 ILE 52 0.489 8.303 -6.557 402 HD11 ILE 52 1HD1 ILE 52 1.971 8.532 -2.196 403 HD12 ILE 52 2HD1 ILE 52 0.263 8.403 -2.616 404 HD13 ILE 52 3HD1 ILE 52 0.995 7.223 -1.530 405 HA PRO 53 HA PRO 53 2.898 8.084 -9.900 406 HB2 PRO 53 1HB PRO 53 0.441 7.810 -11.022 407 HB3 PRO 53 2HB PRO 53 1.582 6.469 -10.870 408 HG2 PRO 53 1HG PRO 53 -0.766 7.162 -9.148 409 HG3 PRO 53 2HG PRO 53 -0.245 5.575 -9.744 410 HD2 PRO 53 1HD PRO 53 0.271 6.426 -7.226 411 HD3 PRO 53 2HD PRO 53 1.371 5.353 -8.116 412 H ARG 54 H ARG 54 2.416 10.010 -11.018 413 HA ARG 54 HA ARG 54 1.505 12.148 -9.401 414 HB2 ARG 54 1HB ARG 54 2.448 11.842 -12.206 415 HB3 ARG 54 2HB ARG 54 1.543 13.296 -11.808 416 HG2 ARG 54 1HG ARG 54 3.169 13.663 -9.926 417 HG3 ARG 54 2HG ARG 54 4.131 12.351 -10.610 418 HD2 ARG 54 1HD ARG 54 5.083 14.266 -11.531 419 HD3 ARG 54 2HD ARG 54 4.010 13.684 -12.803 420 HE ARG 54 HE ARG 54 2.591 15.504 -11.229 421 HH11 ARG 54 1HH1 ARG 54 5.285 15.451 -13.434 422 HH12 ARG 54 2HH1 ARG 54 5.047 17.081 -13.969 423 HH21 ARG 54 1HH2 ARG 54 2.268 17.652 -11.925 424 HH22 ARG 54 2HH2 ARG 54 3.331 18.332 -13.109 425 HA PRO 55 HA PRO 55 -2.797 12.376 -10.226 426 HB2 PRO 55 1HB PRO 55 -3.206 15.055 -10.393 427 HB3 PRO 55 2HB PRO 55 -2.856 14.229 -8.870 428 HG2 PRO 55 1HG PRO 55 -1.010 15.760 -10.661 429 HG3 PRO 55 2HG PRO 55 -1.130 15.787 -8.891 430 HD2 PRO 55 1HD PRO 55 0.777 14.381 -10.201 431 HD3 PRO 55 2HD PRO 55 0.091 13.847 -8.654 432 H ASP 56 H ASP 56 -0.565 13.770 -12.471 433 HA ASP 56 HA ASP 56 -2.610 14.223 -14.494 434 HB2 ASP 56 1HB ASP 56 0.347 14.754 -14.346 435 HB3 ASP 56 2HB ASP 56 -0.512 14.837 -15.882 436 H ASP 57 H ASP 57 -0.218 11.873 -13.611 437 HA ASP 57 HA ASP 57 -0.168 10.540 -16.153 438 HB2 ASP 57 1HB ASP 57 1.579 10.535 -14.163 439 HB3 ASP 57 2HB ASP 57 0.629 9.151 -13.633 440 HA PRO 58 HA PRO 58 -3.850 8.158 -15.726 441 HB2 PRO 58 1HB PRO 58 -3.259 6.173 -17.480 442 HB3 PRO 58 2HB PRO 58 -3.699 7.806 -17.991 443 HG2 PRO 58 1HG PRO 58 -0.987 6.562 -17.750 444 HG3 PRO 58 2HG PRO 58 -1.633 7.596 -19.037 445 HD2 PRO 58 1HD PRO 58 -0.004 8.539 -17.091 446 HD3 PRO 58 2HD PRO 58 -1.274 9.530 -17.836 447 H SER 59 H SER 59 -0.882 7.259 -14.544 448 HA SER 59 HA SER 59 -1.485 4.512 -13.910 449 HB2 SER 59 1HB SER 59 0.777 6.386 -13.285 450 HB3 SER 59 2HB SER 59 0.619 4.869 -12.400 451 HG SER 59 HG SER 59 0.590 4.978 -15.225 452 H ASN 60 H ASN 60 -2.668 3.843 -12.255 453 HA ASN 60 HA ASN 60 -2.944 5.610 -9.913 454 HB2 ASN 60 1HB ASN 60 -5.265 4.812 -9.671 455 HB3 ASN 60 2HB ASN 60 -5.018 5.639 -11.206 456 HD21 ASN 60 1HD2 ASN 60 -6.603 3.191 -9.914 457 HD22 ASN 60 2HD2 ASN 60 -6.631 2.076 -11.234 458 H GLN 61 H GLN 61 -1.213 3.223 -10.576 459 HA GLN 61 HA GLN 61 -2.108 1.420 -8.431 460 HB2 GLN 61 1HB GLN 61 -0.430 -0.180 -9.464 461 HB3 GLN 61 2HB GLN 61 -1.860 0.171 -10.425 462 HG2 GLN 61 1HG GLN 61 -0.684 1.434 -11.958 463 HG3 GLN 61 2HG GLN 61 0.639 1.750 -10.836 464 HE21 GLN 61 1HE2 GLN 61 -0.981 -1.066 -12.275 465 HE22 GLN 61 2HE2 GLN 61 0.472 -1.902 -12.690 466 H ILE 62 H ILE 62 -1.082 1.558 -6.559 467 HA ILE 62 HA ILE 62 1.261 3.166 -6.244 468 HB ILE 62 HB ILE 62 -0.334 1.458 -4.353 469 HG12 ILE 62 1HG1 ILE 62 0.253 4.425 -4.379 470 HG13 ILE 62 2HG1 ILE 62 -1.189 3.694 -5.074 471 HG21 ILE 62 1HG2 ILE 62 2.261 2.885 -3.817 472 HG22 ILE 62 2HG2 ILE 62 1.139 2.398 -2.547 473 HG23 ILE 62 3HG2 ILE 62 1.891 1.177 -3.573 474 HD11 ILE 62 1HD1 ILE 62 -1.371 2.684 -2.625 475 HD12 ILE 62 2HD1 ILE 62 -0.462 4.147 -2.248 476 HD13 ILE 62 3HD1 ILE 62 -2.025 4.264 -3.055 477 H LYS 63 H LYS 63 3.321 2.513 -5.540 478 HA LYS 63 HA LYS 63 3.970 -0.296 -6.151 479 HB2 LYS 63 1HB LYS 63 4.954 1.236 -7.768 480 HB3 LYS 63 2HB LYS 63 5.676 2.180 -6.471 481 HG2 LYS 63 1HG LYS 63 7.256 0.546 -5.990 482 HG3 LYS 63 2HG LYS 63 6.333 -0.721 -6.804 483 HD2 LYS 63 1HD LYS 63 7.032 -0.074 -8.894 484 HD3 LYS 63 2HD LYS 63 7.300 1.600 -8.404 485 HE2 LYS 63 1HE LYS 63 8.998 -0.528 -7.201 486 HE3 LYS 63 2HE LYS 63 9.313 -0.043 -8.866 487 HZ1 LYS 63 1HZ LYS 63 9.142 1.890 -6.626 488 HZ2 LYS 63 2HZ LYS 63 9.719 2.170 -8.190 489 HZ3 LYS 63 3HZ LYS 63 10.597 1.188 -7.129 490 H ILE 64 H ILE 64 5.104 -1.471 -4.694 491 HA ILE 64 HA ILE 64 6.130 -0.090 -2.308 492 HB ILE 64 HB ILE 64 5.385 -2.413 -1.199 493 HG12 ILE 64 1HG1 ILE 64 3.217 -1.835 -3.228 494 HG13 ILE 64 2HG1 ILE 64 4.347 -3.181 -3.332 495 HG21 ILE 64 1HG2 ILE 64 3.227 -0.388 -1.424 496 HG22 ILE 64 2HG2 ILE 64 3.902 -1.171 0.004 497 HG23 ILE 64 3HG2 ILE 64 4.786 0.133 -0.787 498 HD11 ILE 64 1HD1 ILE 64 3.009 -4.407 -2.078 499 HD12 ILE 64 2HD1 ILE 64 3.123 -3.229 -0.770 500 HD13 ILE 64 3HD1 ILE 64 1.867 -3.067 -1.996 501 H THR 65 H THR 65 8.240 -0.430 -2.197 502 HA THR 65 HA THR 65 9.291 -3.057 -3.029 503 HB THR 65 HB THR 65 10.883 -0.495 -3.039 504 HG1 THR 65 HG1 THR 65 9.906 -1.645 -5.410 505 HG21 THR 65 1HG2 THR 65 11.307 -3.105 -4.497 506 HG22 THR 65 2HG2 THR 65 12.102 -2.664 -2.985 507 HG23 THR 65 3HG2 THR 65 12.405 -1.726 -4.447 508 H GLY 66 H GLY 66 10.472 -4.186 -1.594 509 HA2 GLY 66 1HA GLY 66 12.176 -3.290 0.355 510 HA3 GLY 66 2HA GLY 66 10.595 -3.272 1.121 511 H THR 67 H THR 67 11.030 -4.893 2.586 512 HA THR 67 HA THR 67 12.034 -7.452 1.688 513 HB THR 67 HB THR 67 11.887 -8.149 4.004 514 HG1 THR 67 HG1 THR 67 10.495 -5.689 4.371 515 HG21 THR 67 1HG2 THR 67 13.729 -6.578 3.209 516 HG22 THR 67 2HG2 THR 67 13.475 -6.681 4.951 517 HG23 THR 67 3HG2 THR 67 12.853 -5.299 4.049 518 H LYS 68 H LYS 68 10.865 -9.472 2.292 519 HA LYS 68 HA LYS 68 8.349 -9.578 1.057 520 HB2 LYS 68 1HB LYS 68 10.050 -11.467 2.591 521 HB3 LYS 68 2HB LYS 68 8.345 -11.877 2.443 522 HG2 LYS 68 1HG LYS 68 9.424 -12.960 0.661 523 HG3 LYS 68 2HG LYS 68 8.619 -11.558 -0.050 524 HD2 LYS 68 1HD LYS 68 10.813 -10.333 0.179 525 HD3 LYS 68 2HD LYS 68 11.545 -11.886 0.590 526 HE2 LYS 68 1HE LYS 68 11.006 -12.794 -1.539 527 HE3 LYS 68 2HE LYS 68 9.969 -11.423 -1.934 528 HZ1 LYS 68 1HZ LYS 68 12.296 -10.198 -1.482 529 HZ2 LYS 68 2HZ LYS 68 11.790 -10.716 -3.011 530 HZ3 LYS 68 3HZ LYS 68 12.852 -11.670 -2.103 531 H GLU 69 H GLU 69 9.288 -9.110 4.382 532 HA GLU 69 HA GLU 69 6.586 -9.495 5.369 533 HB2 GLU 69 1HB GLU 69 9.191 -8.755 6.692 534 HB3 GLU 69 2HB GLU 69 7.662 -8.730 7.558 535 HG2 GLU 69 1HG GLU 69 8.388 -10.817 8.090 536 HG3 GLU 69 2HG GLU 69 7.467 -11.179 6.632 537 H GLY 70 H GLY 70 8.879 -6.838 4.888 538 HA2 GLY 70 1HA GLY 70 7.329 -4.789 6.024 539 HA3 GLY 70 2HA GLY 70 8.574 -4.566 4.803 540 H ILE 71 H ILE 71 7.691 -5.616 2.571 541 HA ILE 71 HA ILE 71 5.865 -3.817 1.543 542 HB ILE 71 HB ILE 71 6.405 -6.613 0.535 543 HG12 ILE 71 1HG1 ILE 71 7.678 -3.988 -0.269 544 HG13 ILE 71 2HG1 ILE 71 8.422 -5.167 0.805 545 HG21 ILE 71 1HG2 ILE 71 5.833 -5.335 -1.684 546 HG22 ILE 71 2HG2 ILE 71 4.553 -6.005 -0.674 547 HG23 ILE 71 3HG2 ILE 71 4.930 -4.284 -0.594 548 HD11 ILE 71 1HD1 ILE 71 7.558 -6.349 -1.695 549 HD12 ILE 71 2HD1 ILE 71 8.710 -5.034 -1.924 550 HD13 ILE 71 3HD1 ILE 71 9.129 -6.403 -0.896 551 H GLU 72 H GLU 72 5.280 -7.082 2.791 552 HA GLU 72 HA GLU 72 2.627 -7.407 2.117 553 HB2 GLU 72 1HB GLU 72 4.303 -8.365 4.396 554 HB3 GLU 72 2HB GLU 72 2.569 -8.644 4.451 555 HG2 GLU 72 1HG GLU 72 2.665 -9.854 2.359 556 HG3 GLU 72 2HG GLU 72 4.389 -9.517 2.219 557 H LYS 73 H LYS 73 3.814 -6.129 5.232 558 HA LYS 73 HA LYS 73 1.456 -5.403 6.392 559 HB2 LYS 73 1HB LYS 73 4.192 -4.191 6.472 560 HB3 LYS 73 2HB LYS 73 2.868 -3.383 7.301 561 HG2 LYS 73 1HG LYS 73 3.655 -4.671 8.999 562 HG3 LYS 73 2HG LYS 73 2.484 -5.792 8.303 563 HD2 LYS 73 1HD LYS 73 4.210 -6.955 7.115 564 HD3 LYS 73 2HD LYS 73 5.409 -5.742 7.571 565 HE2 LYS 73 1HE LYS 73 5.763 -7.593 9.000 566 HE3 LYS 73 2HE LYS 73 4.945 -6.371 9.973 567 HZ1 LYS 73 1HZ LYS 73 3.837 -8.870 8.853 568 HZ2 LYS 73 2HZ LYS 73 2.828 -7.603 9.337 569 HZ3 LYS 73 3HZ LYS 73 3.848 -8.349 10.462 570 H ALA 74 H ALA 74 3.421 -3.263 4.319 571 HA ALA 74 HA ALA 74 1.622 -1.132 4.227 572 HB1 ALA 74 1HB ALA 74 2.936 -0.243 2.519 573 HB2 ALA 74 2HB ALA 74 4.061 -1.252 3.429 574 HB3 ALA 74 3HB ALA 74 3.385 -1.835 1.907 575 H ARG 75 H ARG 75 1.898 -3.988 2.158 576 HA ARG 75 HA ARG 75 -0.055 -3.211 0.270 577 HB2 ARG 75 1HB ARG 75 1.738 -5.162 0.276 578 HB3 ARG 75 2HB ARG 75 0.383 -6.094 0.902 579 HG2 ARG 75 1HG ARG 75 -0.939 -5.505 -1.061 580 HG3 ARG 75 2HG ARG 75 0.411 -4.556 -1.687 581 HD2 ARG 75 1HD ARG 75 0.740 -6.524 -2.808 582 HD3 ARG 75 2HD ARG 75 1.717 -6.815 -1.370 583 HE ARG 75 HE ARG 75 -0.775 -8.110 -2.083 584 HH11 ARG 75 1HH1 ARG 75 1.588 -7.469 0.391 585 HH12 ARG 75 2HH1 ARG 75 1.134 -8.830 1.361 586 HH21 ARG 75 1HH2 ARG 75 -1.383 -9.907 -0.816 587 HH22 ARG 75 2HH2 ARG 75 -0.555 -10.217 0.673 588 H HIS 76 H HIS 76 -0.235 -4.819 3.375 589 HA HIS 76 HA HIS 76 -2.965 -5.639 3.097 590 HB2 HIS 76 1HB HIS 76 -1.219 -6.678 4.636 591 HB3 HIS 76 2HB HIS 76 -1.464 -5.289 5.692 592 HD1 HIS 76 HD1 HIS 76 -3.637 -7.959 4.058 593 HD2 HIS 76 HD2 HIS 76 -3.357 -5.743 7.560 594 HE1 HIS 76 HE1 HIS 76 -5.492 -8.799 5.535 595 H GLU 77 H GLU 77 -1.297 -2.847 4.420 596 HA GLU 77 HA GLU 77 -3.607 -1.731 5.682 597 HB2 GLU 77 1HB GLU 77 -0.892 -0.635 4.980 598 HB3 GLU 77 2HB GLU 77 -2.143 0.375 5.690 599 HG2 GLU 77 1HG GLU 77 -1.095 -2.153 6.939 600 HG3 GLU 77 2HG GLU 77 -0.514 -0.533 7.323 601 H VAL 78 H VAL 78 -1.901 -1.132 2.632 602 HA VAL 78 HA VAL 78 -3.526 1.005 1.765 603 HB VAL 78 HB VAL 78 -1.258 0.286 0.829 604 HG11 VAL 78 1HG1 VAL 78 -2.026 -2.082 0.430 605 HG12 VAL 78 2HG1 VAL 78 -2.941 -1.465 -0.948 606 HG13 VAL 78 3HG1 VAL 78 -1.184 -1.316 -0.916 607 HG21 VAL 78 1HG2 VAL 78 -2.553 2.097 -0.133 608 HG22 VAL 78 2HG2 VAL 78 -1.795 1.151 -1.413 609 HG23 VAL 78 3HG2 VAL 78 -3.511 0.948 -1.065 610 H LEU 79 H LEU 79 -3.763 -2.489 1.351 611 HA LEU 79 HA LEU 79 -5.936 -2.407 -0.487 612 HB2 LEU 79 1HB LEU 79 -4.613 -4.505 1.162 613 HB3 LEU 79 2HB LEU 79 -6.193 -4.851 0.461 614 HG LEU 79 HG LEU 79 -3.941 -3.887 -1.265 615 HD11 LEU 79 1HD1 LEU 79 -3.719 -6.457 -1.715 616 HD12 LEU 79 2HD1 LEU 79 -4.303 -6.586 -0.056 617 HD13 LEU 79 3HD1 LEU 79 -2.823 -5.693 -0.402 618 HD21 LEU 79 1HD2 LEU 79 -6.641 -4.908 -1.611 619 HD22 LEU 79 2HD2 LEU 79 -5.455 -5.771 -2.590 620 HD23 LEU 79 3HD2 LEU 79 -5.613 -4.020 -2.734 621 H LEU 80 H LEU 80 -5.677 -2.685 3.018 622 HA LEU 80 HA LEU 80 -8.373 -3.277 3.557 623 HB2 LEU 80 1HB LEU 80 -6.108 -2.130 5.115 624 HB3 LEU 80 2HB LEU 80 -7.734 -2.036 5.789 625 HG LEU 80 HG LEU 80 -6.438 -4.620 4.941 626 HD11 LEU 80 1HD1 LEU 80 -5.273 -4.700 6.826 627 HD12 LEU 80 2HD1 LEU 80 -6.694 -4.281 7.783 628 HD13 LEU 80 3HD1 LEU 80 -5.686 -3.006 7.097 629 HD21 LEU 80 1HD2 LEU 80 -8.208 -5.687 6.037 630 HD22 LEU 80 2HD2 LEU 80 -8.977 -4.372 5.147 631 HD23 LEU 80 3HD2 LEU 80 -8.691 -4.217 6.881 632 H ILE 81 H ILE 81 -6.652 -0.159 3.561 633 HA ILE 81 HA ILE 81 -8.792 1.483 4.217 634 HB ILE 81 HB ILE 81 -6.473 2.109 2.386 635 HG12 ILE 81 1HG1 ILE 81 -6.717 2.962 5.251 636 HG13 ILE 81 2HG1 ILE 81 -6.140 1.343 4.868 637 HG21 ILE 81 1HG2 ILE 81 -7.223 4.195 2.166 638 HG22 ILE 81 2HG2 ILE 81 -8.767 3.603 2.779 639 HG23 ILE 81 3HG2 ILE 81 -7.595 4.323 3.884 640 HD11 ILE 81 1HD1 ILE 81 -4.749 3.856 4.781 641 HD12 ILE 81 2HD1 ILE 81 -4.116 2.213 4.678 642 HD13 ILE 81 3HD1 ILE 81 -4.673 3.037 3.221 643 H SER 82 H SER 82 -7.540 0.890 0.926 644 HA SER 82 HA SER 82 -9.600 2.153 -0.451 645 HB2 SER 82 1HB SER 82 -8.910 0.671 -2.380 646 HB3 SER 82 2HB SER 82 -7.595 1.573 -1.627 647 HG SER 82 HG SER 82 -6.942 -0.279 -0.584 648 H ALA 83 H ALA 83 -9.304 -1.225 0.571 649 HA ALA 83 HA ALA 83 -11.578 -2.254 -0.660 650 HB1 ALA 83 1HB ALA 83 -10.233 -3.028 1.920 651 HB2 ALA 83 2HB ALA 83 -11.538 -3.957 1.182 652 HB3 ALA 83 3HB ALA 83 -10.010 -3.748 0.326 653 H GLU 84 H GLU 84 -11.227 -0.624 2.464 654 HA GLU 84 HA GLU 84 -13.890 -1.004 3.326 655 HB2 GLU 84 1HB GLU 84 -11.629 0.767 4.110 656 HB3 GLU 84 2HB GLU 84 -13.239 1.212 4.658 657 HG2 GLU 84 1HG GLU 84 -12.250 -1.572 5.068 658 HG3 GLU 84 2HG GLU 84 -11.719 -0.278 6.142 659 H GLN 85 H GLN 85 -12.314 1.568 1.489 660 HA GLN 85 HA GLN 85 -14.386 3.428 1.458 661 HB2 GLN 85 1HB GLN 85 -12.372 2.828 -0.715 662 HB3 GLN 85 2HB GLN 85 -13.353 4.283 -0.615 663 HG2 GLN 85 1HG GLN 85 -11.198 3.402 1.286 664 HG3 GLN 85 2HG GLN 85 -11.169 4.784 0.192 665 HE21 GLN 85 1HE2 GLN 85 -10.718 4.886 2.980 666 HE22 GLN 85 2HE2 GLN 85 -11.971 5.844 3.684 667 H ASP 86 H ASP 86 -13.879 0.547 -0.485 668 HA ASP 86 HA ASP 86 -15.722 0.957 -2.512 669 HB2 ASP 86 1HB ASP 86 -14.071 -1.012 -2.092 670 HB3 ASP 86 2HB ASP 86 -15.423 -1.741 -1.229 671 H LYS 87 H LYS 87 -16.234 -0.018 0.816 672 HA LYS 87 HA LYS 87 -19.031 -0.607 0.414 673 HB2 LYS 87 1HB LYS 87 -17.365 -1.592 2.185 674 HB3 LYS 87 2HB LYS 87 -17.808 -0.165 3.112 675 HG2 LYS 87 1HG LYS 87 -19.353 -1.625 3.908 676 HG3 LYS 87 2HG LYS 87 -20.252 -0.982 2.531 677 HD2 LYS 87 1HD LYS 87 -18.531 -3.434 2.297 678 HD3 LYS 87 2HD LYS 87 -20.208 -3.523 2.839 679 HE2 LYS 87 1HE LYS 87 -20.524 -3.827 0.602 680 HE3 LYS 87 2HE LYS 87 -20.603 -2.067 0.664 681 HZ1 LYS 87 1HZ LYS 87 -19.121 -2.376 -1.024 682 HZ2 LYS 87 2HZ LYS 87 -18.475 -3.797 -0.372 683 HZ3 LYS 87 3HZ LYS 87 -18.044 -2.296 0.278 684 H ARG 88 H ARG 88 -17.368 1.732 2.537 685 HA ARG 88 HA ARG 88 -19.652 3.327 2.954 686 HB2 ARG 88 1HB ARG 88 -18.032 5.021 3.807 687 HB3 ARG 88 2HB ARG 88 -17.826 3.425 4.514 688 HG2 ARG 88 1HG ARG 88 -16.030 3.079 2.712 689 HG3 ARG 88 2HG ARG 88 -16.097 4.832 2.519 690 HD2 ARG 88 1HD ARG 88 -15.620 3.437 5.148 691 HD3 ARG 88 2HD ARG 88 -14.332 4.023 4.095 692 HE ARG 88 HE ARG 88 -15.983 6.180 4.514 693 HH11 ARG 88 1HH1 ARG 88 -14.106 4.021 6.498 694 HH12 ARG 88 2HH1 ARG 88 -13.809 5.202 7.730 695 HH21 ARG 88 1HH2 ARG 88 -15.599 7.744 6.131 696 HH22 ARG 88 2HH2 ARG 88 -14.660 7.319 7.521 697 H SER 89 H SER 89 -20.616 4.775 1.698 698 HA SER 89 HA SER 89 -19.104 5.876 -0.581 699 HB2 SER 89 1HB SER 89 -20.958 4.260 -1.165 700 HB3 SER 89 2HB SER 89 -22.093 5.435 -0.501 701 HG SER 89 HG SER 89 -21.222 5.380 -2.928 702 H GLY 90 H GLY 90 -21.788 6.510 1.666 703 HA2 GLY 90 1HA GLY 90 -21.023 8.978 2.548 704 HA3 GLY 90 2HA GLY 90 -21.859 9.313 1.039 705 HA PRO 91 HA PRO 91 -24.773 8.545 4.785 706 HB2 PRO 91 1HB PRO 91 -25.085 11.081 5.701 707 HB3 PRO 91 2HB PRO 91 -23.859 9.976 6.332 708 HG2 PRO 91 1HG PRO 91 -23.571 12.176 4.323 709 HG3 PRO 91 2HG PRO 91 -22.506 11.748 5.676 710 HD2 PRO 91 1HD PRO 91 -21.973 11.033 3.119 711 HD3 PRO 91 2HD PRO 91 -21.504 10.032 4.508 712 H SER 92 H SER 92 -26.669 8.253 3.798 713 HA SER 92 HA SER 92 -27.862 10.531 2.360 714 HB2 SER 92 1HB SER 92 -27.772 7.625 1.559 715 HB3 SER 92 2HB SER 92 -28.979 8.733 0.908 716 HG SER 92 HG SER 92 -26.976 8.488 -0.337 717 H SER 93 H SER 93 -28.650 7.360 3.788 718 HA SER 93 HA SER 93 -31.375 7.773 4.140 719 HB2 SER 93 1HB SER 93 -30.480 5.570 4.435 720 HB3 SER 93 2HB SER 93 -29.417 6.110 5.735 721 HG SER 93 HG SER 93 -32.163 6.504 6.045 722 H GLY 94 H GLY 94 -32.611 8.815 5.604 723 HA2 GLY 94 1HA GLY 94 -31.719 9.589 8.188 724 HA3 GLY 94 2HA GLY 94 -31.629 10.949 7.079 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -14.530 -25.310 6.632 2 HA2 GLY 1 1HA GLY 1 -12.482 -25.904 7.567 3 HA3 GLY 1 2HA GLY 1 -12.728 -27.271 6.492 4 H SER 2 H SER 2 -10.931 -27.731 5.428 5 HA SER 2 HA SER 2 -8.991 -27.521 4.257 6 HB2 SER 2 1HB SER 2 -10.742 -26.096 2.875 7 HB3 SER 2 2HB SER 2 -9.721 -24.754 3.390 8 HG SER 2 HG SER 2 -9.062 -25.675 1.380 9 H SER 3 H SER 3 -8.833 -26.855 6.946 10 HA SER 3 HA SER 3 -7.361 -24.382 7.223 11 HB2 SER 3 1HB SER 3 -7.179 -24.992 9.585 12 HB3 SER 3 2HB SER 3 -8.842 -25.193 9.033 13 HG SER 3 HG SER 3 -7.088 -27.049 9.984 14 H GLY 4 H GLY 4 -5.352 -24.294 6.452 15 HA2 GLY 4 1HA GLY 4 -3.284 -25.898 7.519 16 HA3 GLY 4 2HA GLY 4 -3.686 -26.465 5.906 17 H SER 5 H SER 5 -1.251 -25.147 7.018 18 HA SER 5 HA SER 5 -0.958 -23.185 4.883 19 HB2 SER 5 1HB SER 5 -1.558 -21.715 6.657 20 HB3 SER 5 2HB SER 5 -0.535 -22.574 7.810 21 HG SER 5 HG SER 5 0.368 -21.091 5.561 22 H SER 6 H SER 6 1.178 -22.871 4.204 23 HA SER 6 HA SER 6 3.443 -23.917 5.521 24 HB2 SER 6 1HB SER 6 3.932 -25.836 4.061 25 HB3 SER 6 2HB SER 6 2.432 -26.084 4.953 26 HG SER 6 HG SER 6 1.490 -26.302 3.101 27 H GLY 7 H GLY 7 5.321 -24.190 3.818 28 HA2 GLY 7 1HA GLY 7 5.339 -23.057 1.325 29 HA3 GLY 7 2HA GLY 7 5.452 -21.689 2.422 30 H ASP 8 H ASP 8 7.426 -22.502 0.519 31 HA ASP 8 HA ASP 8 9.727 -22.409 2.176 32 HB2 ASP 8 1HB ASP 8 10.736 -24.551 1.608 33 HB3 ASP 8 2HB ASP 8 9.195 -24.814 2.420 34 H ILE 9 H ILE 9 11.411 -21.561 1.077 35 HA ILE 9 HA ILE 9 11.011 -20.577 -1.539 36 HB ILE 9 HB ILE 9 13.594 -20.796 0.011 37 HG12 ILE 9 1HG1 ILE 9 11.929 -18.314 -0.292 38 HG13 ILE 9 2HG1 ILE 9 11.564 -19.481 0.973 39 HG21 ILE 9 1HG2 ILE 9 13.159 -20.092 -2.667 40 HG22 ILE 9 2HG2 ILE 9 13.440 -18.581 -1.805 41 HG23 ILE 9 3HG2 ILE 9 14.632 -19.878 -1.723 42 HD11 ILE 9 1HD1 ILE 9 13.988 -19.237 1.680 43 HD12 ILE 9 2HD1 ILE 9 14.037 -17.829 0.619 44 HD13 ILE 9 3HD1 ILE 9 12.919 -17.869 1.983 45 H VAL 10 H VAL 10 11.434 -21.426 -3.475 46 HA VAL 10 HA VAL 10 12.536 -24.109 -3.618 47 HB VAL 10 HB VAL 10 11.915 -24.003 -6.012 48 HG11 VAL 10 1HG1 VAL 10 9.638 -23.117 -4.250 49 HG12 VAL 10 2HG1 VAL 10 9.558 -24.146 -5.682 50 HG13 VAL 10 3HG1 VAL 10 10.334 -24.737 -4.212 51 HG21 VAL 10 1HG2 VAL 10 11.885 -21.952 -6.911 52 HG22 VAL 10 2HG2 VAL 10 10.250 -21.845 -6.258 53 HG23 VAL 10 3HG2 VAL 10 11.606 -21.171 -5.354 54 H ALA 11 H ALA 11 14.548 -22.581 -2.802 55 HA ALA 11 HA ALA 11 16.695 -21.959 -3.232 56 HB1 ALA 11 1HB ALA 11 17.848 -23.064 -5.030 57 HB2 ALA 11 2HB ALA 11 16.721 -24.201 -4.289 58 HB3 ALA 11 3HB ALA 11 16.322 -23.443 -5.830 59 H ARG 12 H ARG 12 14.866 -19.992 -3.740 60 HA ARG 12 HA ARG 12 15.386 -18.850 -6.352 61 HB2 ARG 12 1HB ARG 12 13.616 -18.197 -4.047 62 HB3 ARG 12 2HB ARG 12 14.065 -16.888 -5.132 63 HG2 ARG 12 1HG ARG 12 13.275 -18.436 -7.015 64 HG3 ARG 12 2HG ARG 12 12.501 -19.368 -5.731 65 HD2 ARG 12 1HD ARG 12 12.077 -16.410 -6.054 66 HD3 ARG 12 2HD ARG 12 11.086 -17.600 -6.897 67 HE ARG 12 HE ARG 12 10.977 -18.368 -4.286 68 HH11 ARG 12 1HH1 ARG 12 10.305 -15.410 -5.995 69 HH12 ARG 12 2HH1 ARG 12 9.080 -14.893 -4.884 70 HH21 ARG 12 1HH2 ARG 12 9.367 -17.699 -2.816 71 HH22 ARG 12 2HH2 ARG 12 8.548 -16.196 -3.076 72 H LEU 13 H LEU 13 16.156 -16.602 -6.553 73 HA LEU 13 HA LEU 13 18.646 -16.266 -5.246 74 HB2 LEU 13 1HB LEU 13 17.037 -14.383 -6.959 75 HB3 LEU 13 2HB LEU 13 18.684 -14.069 -6.417 76 HG LEU 13 HG LEU 13 17.967 -16.466 -8.087 77 HD11 LEU 13 1HD1 LEU 13 19.125 -14.891 -9.877 78 HD12 LEU 13 2HD1 LEU 13 18.376 -13.640 -8.886 79 HD13 LEU 13 3HD1 LEU 13 17.380 -14.895 -9.622 80 HD21 LEU 13 1HD2 LEU 13 20.123 -16.359 -6.772 81 HD22 LEU 13 2HD2 LEU 13 20.589 -15.015 -7.817 82 HD23 LEU 13 3HD2 LEU 13 20.287 -16.609 -8.511 83 H GLN 14 H GLN 14 19.214 -14.034 -4.279 84 HA GLN 14 HA GLN 14 17.147 -13.345 -2.296 85 HB2 GLN 14 1HB GLN 14 20.154 -13.308 -1.997 86 HB3 GLN 14 2HB GLN 14 19.016 -12.749 -0.779 87 HG2 GLN 14 1HG GLN 14 18.169 -14.938 -0.441 88 HG3 GLN 14 2HG GLN 14 19.029 -15.555 -1.851 89 HE21 GLN 14 1HE2 GLN 14 20.685 -16.764 -1.315 90 HE22 GLN 14 2HE2 GLN 14 21.730 -16.529 0.039 91 H THR 15 H THR 15 16.358 -11.751 -3.815 92 HA THR 15 HA THR 15 17.939 -9.275 -3.697 93 HB THR 15 HB THR 15 16.259 -9.920 -6.106 94 HG1 THR 15 HG1 THR 15 18.443 -10.418 -7.040 95 HG21 THR 15 1HG2 THR 15 18.678 -8.299 -6.374 96 HG22 THR 15 2HG2 THR 15 17.487 -7.614 -5.269 97 HG23 THR 15 3HG2 THR 15 17.035 -7.984 -6.933 98 H GLN 16 H GLN 16 16.766 -7.373 -3.474 99 HA GLN 16 HA GLN 16 14.432 -7.434 -2.002 100 HB2 GLN 16 1HB GLN 16 15.764 -5.303 -3.631 101 HB3 GLN 16 2HB GLN 16 14.195 -4.988 -2.903 102 HG2 GLN 16 1HG GLN 16 16.437 -6.048 -1.240 103 HG3 GLN 16 2HG GLN 16 16.354 -4.333 -1.640 104 HE21 GLN 16 1HE2 GLN 16 14.635 -6.987 -0.110 105 HE22 GLN 16 2HE2 GLN 16 13.679 -6.007 0.943 106 H ALA 17 H ALA 17 12.284 -7.398 -2.434 107 HA ALA 17 HA ALA 17 11.509 -7.829 -5.232 108 HB1 ALA 17 1HB ALA 17 10.900 -9.286 -3.018 109 HB2 ALA 17 2HB ALA 17 9.476 -8.255 -3.165 110 HB3 ALA 17 3HB ALA 17 9.963 -9.285 -4.512 111 H SER 18 H SER 18 9.340 -6.963 -5.867 112 HA SER 18 HA SER 18 8.515 -4.535 -4.496 113 HB2 SER 18 1HB SER 18 8.576 -3.422 -6.903 114 HB3 SER 18 2HB SER 18 9.988 -3.386 -5.847 115 HG SER 18 HG SER 18 9.862 -4.365 -8.264 116 H ALA 19 H ALA 19 6.373 -4.460 -4.470 117 HA ALA 19 HA ALA 19 4.894 -5.829 -6.621 118 HB1 ALA 19 1HB ALA 19 4.483 -5.817 -3.669 119 HB2 ALA 19 2HB ALA 19 3.088 -5.991 -4.734 120 HB3 ALA 19 3HB ALA 19 4.408 -7.158 -4.811 121 H THR 20 H THR 20 2.557 -5.020 -6.744 122 HA THR 20 HA THR 20 2.356 -2.148 -6.187 123 HB THR 20 HB THR 20 1.215 -2.053 -8.564 124 HG1 THR 20 HG1 THR 20 2.248 -3.450 -10.030 125 HG21 THR 20 1HG2 THR 20 2.913 -0.579 -8.561 126 HG22 THR 20 2HG2 THR 20 3.820 -1.847 -9.387 127 HG23 THR 20 3HG2 THR 20 3.965 -1.653 -7.640 128 H VAL 21 H VAL 21 0.237 -1.352 -6.025 129 HA VAL 21 HA VAL 21 -1.874 -3.408 -5.971 130 HB VAL 21 HB VAL 21 -1.312 -2.892 -3.684 131 HG11 VAL 21 1HG1 VAL 21 -0.381 -0.572 -4.393 132 HG12 VAL 21 2HG1 VAL 21 -2.022 -0.012 -4.064 133 HG13 VAL 21 3HG1 VAL 21 -1.075 -0.774 -2.785 134 HG21 VAL 21 1HG2 VAL 21 -3.589 -1.474 -3.221 135 HG22 VAL 21 2HG2 VAL 21 -3.892 -2.110 -4.838 136 HG23 VAL 21 3HG2 VAL 21 -3.528 -3.213 -3.511 137 H ALA 22 H ALA 22 -3.202 -2.975 -7.607 138 HA ALA 22 HA ALA 22 -3.515 -0.405 -8.770 139 HB1 ALA 22 1HB ALA 22 -4.700 -3.087 -9.165 140 HB2 ALA 22 2HB ALA 22 -5.636 -1.708 -9.745 141 HB3 ALA 22 3HB ALA 22 -3.995 -1.970 -10.336 142 H ILE 23 H ILE 23 -4.580 1.244 -7.911 143 HA ILE 23 HA ILE 23 -7.167 0.763 -6.632 144 HB ILE 23 HB ILE 23 -6.431 2.630 -4.952 145 HG12 ILE 23 1HG1 ILE 23 -3.780 1.334 -5.624 146 HG13 ILE 23 2HG1 ILE 23 -4.225 2.994 -6.006 147 HG21 ILE 23 1HG2 ILE 23 -5.210 0.485 -3.724 148 HG22 ILE 23 2HG2 ILE 23 -6.936 0.845 -3.716 149 HG23 ILE 23 3HG2 ILE 23 -6.274 -0.270 -4.910 150 HD11 ILE 23 1HD1 ILE 23 -4.628 2.520 -3.220 151 HD12 ILE 23 2HD1 ILE 23 -3.000 2.023 -3.682 152 HD13 ILE 23 3HD1 ILE 23 -3.549 3.665 -4.015 153 HA PRO 24 HA PRO 24 -8.497 4.332 -8.812 154 HB2 PRO 24 1HB PRO 24 -10.291 5.409 -7.084 155 HB3 PRO 24 2HB PRO 24 -10.601 3.923 -7.988 156 HG2 PRO 24 1HG PRO 24 -9.700 4.262 -5.153 157 HG3 PRO 24 2HG PRO 24 -10.909 3.149 -5.816 158 HD2 PRO 24 1HD PRO 24 -8.386 2.370 -5.216 159 HD3 PRO 24 2HD PRO 24 -9.315 1.653 -6.548 160 H LYS 25 H LYS 25 -8.173 6.536 -9.024 161 HA LYS 25 HA LYS 25 -6.065 7.693 -7.580 162 HB2 LYS 25 1HB LYS 25 -7.155 8.248 -9.939 163 HB3 LYS 25 2HB LYS 25 -8.025 9.445 -8.988 164 HG2 LYS 25 1HG LYS 25 -6.240 10.701 -9.594 165 HG3 LYS 25 2HG LYS 25 -5.580 9.985 -8.121 166 HD2 LYS 25 1HD LYS 25 -3.860 9.543 -9.556 167 HD3 LYS 25 2HD LYS 25 -4.831 8.091 -9.816 168 HE2 LYS 25 1HE LYS 25 -5.310 10.514 -11.497 169 HE3 LYS 25 2HE LYS 25 -3.936 9.467 -11.851 170 HZ1 LYS 25 1HZ LYS 25 -5.427 8.345 -13.062 171 HZ2 LYS 25 2HZ LYS 25 -6.759 9.002 -12.252 172 HZ3 LYS 25 3HZ LYS 25 -5.926 7.690 -11.583 173 H GLU 26 H GLU 26 -9.296 7.310 -6.728 174 HA GLU 26 HA GLU 26 -9.436 9.684 -5.058 175 HB2 GLU 26 1HB GLU 26 -11.686 9.090 -4.623 176 HB3 GLU 26 2HB GLU 26 -11.415 8.738 -6.324 177 HG2 GLU 26 1HG GLU 26 -11.586 6.490 -6.036 178 HG3 GLU 26 2HG GLU 26 -10.986 6.543 -4.380 179 H HIS 27 H HIS 27 -8.237 6.553 -4.815 180 HA HIS 27 HA HIS 27 -8.542 6.510 -1.892 181 HB2 HIS 27 1HB HIS 27 -7.930 4.345 -3.899 182 HB3 HIS 27 2HB HIS 27 -7.681 4.114 -2.171 183 HD1 HIS 27 HD1 HIS 27 -9.660 2.299 -3.502 184 HD2 HIS 27 HD2 HIS 27 -10.726 5.982 -1.904 185 HE1 HIS 27 HE1 HIS 27 -12.129 2.145 -3.048 186 H HIS 28 H HIS 28 -6.354 7.282 -4.316 187 HA HIS 28 HA HIS 28 -3.920 6.406 -3.183 188 HB2 HIS 28 1HB HIS 28 -4.673 8.492 -5.197 189 HB3 HIS 28 2HB HIS 28 -3.024 8.433 -4.584 190 HD2 HIS 28 HD2 HIS 28 -5.042 5.179 -5.461 191 HE1 HIS 28 HE1 HIS 28 -1.786 5.566 -8.153 192 HE2 HIS 28 HE2 HIS 28 -3.734 4.141 -7.437 193 H ARG 29 H ARG 29 -5.653 9.502 -2.975 194 HA ARG 29 HA ARG 29 -3.777 10.817 -1.345 195 HB2 ARG 29 1HB ARG 29 -5.396 12.496 -1.061 196 HB3 ARG 29 2HB ARG 29 -5.748 11.813 -2.642 197 HG2 ARG 29 1HG ARG 29 -7.623 10.631 -1.820 198 HG3 ARG 29 2HG ARG 29 -7.174 10.952 -0.143 199 HD2 ARG 29 1HD ARG 29 -8.885 12.476 -0.545 200 HD3 ARG 29 2HD ARG 29 -7.422 13.433 -0.776 201 HE ARG 29 HE ARG 29 -8.339 12.290 -3.220 202 HH11 ARG 29 1HH1 ARG 29 -8.878 14.893 -0.972 203 HH12 ARG 29 2HH1 ARG 29 -9.564 15.951 -2.161 204 HH21 ARG 29 1HH2 ARG 29 -9.240 13.672 -4.793 205 HH22 ARG 29 2HH2 ARG 29 -9.770 15.256 -4.334 206 H PHE 30 H PHE 30 -6.320 8.549 -0.624 207 HA PHE 30 HA PHE 30 -6.588 9.061 2.132 208 HB2 PHE 30 1HB PHE 30 -7.134 6.646 0.420 209 HB3 PHE 30 2HB PHE 30 -7.376 6.603 2.163 210 HD1 PHE 30 HD2 PHE 30 -8.280 8.672 -0.804 211 HD2 PHE 30 HD1 PHE 30 -9.443 7.158 3.001 212 HE1 PHE 30 HE2 PHE 30 -10.512 9.664 -1.095 213 HE2 PHE 30 HE1 PHE 30 -11.677 8.147 2.716 214 HZ PHE 30 HZ PHE 30 -12.214 9.403 0.666 215 H VAL 31 H VAL 31 -4.296 7.169 0.287 216 HA VAL 31 HA VAL 31 -3.157 5.875 2.595 217 HB VAL 31 HB VAL 31 -2.102 6.075 -0.229 218 HG11 VAL 31 1HG1 VAL 31 -0.832 3.987 0.530 219 HG12 VAL 31 2HG1 VAL 31 -0.251 5.551 1.106 220 HG13 VAL 31 3HG1 VAL 31 -1.202 4.515 2.172 221 HG21 VAL 31 1HG2 VAL 31 -3.025 3.893 -0.585 222 HG22 VAL 31 2HG2 VAL 31 -3.529 3.776 1.102 223 HG23 VAL 31 3HG2 VAL 31 -4.309 4.937 0.027 224 H ILE 32 H ILE 32 -2.488 8.713 0.654 225 HA ILE 32 HA ILE 32 0.122 9.206 1.662 226 HB ILE 32 HB ILE 32 -1.870 11.098 0.407 227 HG12 ILE 32 1HG1 ILE 32 0.586 9.807 -0.792 228 HG13 ILE 32 2HG1 ILE 32 -1.043 9.171 -0.985 229 HG21 ILE 32 1HG2 ILE 32 -0.034 12.637 0.098 230 HG22 ILE 32 2HG2 ILE 32 -0.203 12.257 1.812 231 HG23 ILE 32 3HG2 ILE 32 1.082 11.508 0.865 232 HD11 ILE 32 1HD1 ILE 32 -0.061 11.857 -1.919 233 HD12 ILE 32 2HD1 ILE 32 -0.387 10.447 -2.928 234 HD13 ILE 32 3HD1 ILE 32 -1.710 11.253 -2.086 235 H GLY 33 H GLY 33 -3.094 10.436 2.535 236 HA2 GLY 33 1HA GLY 33 -3.481 10.689 4.968 237 HA3 GLY 33 2HA GLY 33 -1.900 11.453 5.041 238 H LYS 34 H LYS 34 -4.134 12.701 6.068 239 HA LYS 34 HA LYS 34 -5.688 14.348 4.608 240 HB2 LYS 34 1HB LYS 34 -4.245 14.728 7.186 241 HB3 LYS 34 2HB LYS 34 -5.016 16.135 6.465 242 HG2 LYS 34 1HG LYS 34 -6.728 15.391 7.756 243 HG3 LYS 34 2HG LYS 34 -7.064 14.474 6.285 244 HD2 LYS 34 1HD LYS 34 -7.181 12.800 7.846 245 HD3 LYS 34 2HD LYS 34 -5.471 12.710 7.419 246 HE2 LYS 34 1HE LYS 34 -5.190 14.423 9.368 247 HE3 LYS 34 2HE LYS 34 -6.760 13.809 9.881 248 HZ1 LYS 34 1HZ LYS 34 -4.818 12.655 10.881 249 HZ2 LYS 34 2HZ LYS 34 -4.416 12.073 9.344 250 HZ3 LYS 34 3HZ LYS 34 -5.881 11.625 10.061 251 H ASN 35 H ASN 35 -2.425 15.341 5.669 252 HA ASN 35 HA ASN 35 -2.328 17.144 3.344 253 HB2 ASN 35 1HB ASN 35 -0.757 17.331 5.925 254 HB3 ASN 35 2HB ASN 35 -0.735 18.498 4.604 255 HD21 ASN 35 1HD2 ASN 35 -2.498 17.259 7.308 256 HD22 ASN 35 2HD2 ASN 35 -3.703 18.495 7.355 257 H GLY 36 H GLY 36 -0.599 14.682 5.157 258 HA2 GLY 36 1HA GLY 36 0.673 13.356 3.241 259 HA3 GLY 36 2HA GLY 36 1.674 14.797 3.335 260 H GLU 37 H GLU 37 0.114 12.667 5.735 261 HA GLU 37 HA GLU 37 2.751 12.375 7.018 262 HB2 GLU 37 1HB GLU 37 0.158 12.249 8.534 263 HB3 GLU 37 2HB GLU 37 1.783 12.495 9.159 264 HG2 GLU 37 1HG GLU 37 0.673 14.524 7.298 265 HG3 GLU 37 2HG GLU 37 0.061 14.474 8.950 266 H LYS 38 H LYS 38 -0.428 10.878 6.530 267 HA LYS 38 HA LYS 38 -0.143 8.429 7.643 268 HB2 LYS 38 1HB LYS 38 -2.165 9.010 6.484 269 HB3 LYS 38 2HB LYS 38 -1.317 9.109 4.945 270 HG2 LYS 38 1HG LYS 38 -2.435 7.075 4.845 271 HG3 LYS 38 2HG LYS 38 -0.786 6.629 5.293 272 HD2 LYS 38 1HD LYS 38 -1.380 6.141 7.484 273 HD3 LYS 38 2HD LYS 38 -2.845 7.123 7.410 274 HE2 LYS 38 1HE LYS 38 -2.577 4.727 5.647 275 HE3 LYS 38 2HE LYS 38 -2.996 4.514 7.346 276 HZ1 LYS 38 1HZ LYS 38 -5.074 4.820 6.619 277 HZ2 LYS 38 2HZ LYS 38 -4.589 5.549 5.173 278 HZ3 LYS 38 3HZ LYS 38 -4.681 6.465 6.591 279 H LEU 39 H LEU 39 0.841 9.123 4.282 280 HA LEU 39 HA LEU 39 2.070 6.725 3.712 281 HB2 LEU 39 1HB LEU 39 1.816 8.168 1.915 282 HB3 LEU 39 2HB LEU 39 2.534 9.526 2.778 283 HG LEU 39 HG LEU 39 4.723 8.133 2.625 284 HD11 LEU 39 1HD1 LEU 39 4.696 6.249 1.460 285 HD12 LEU 39 2HD1 LEU 39 4.006 7.079 0.066 286 HD13 LEU 39 3HD1 LEU 39 2.946 6.402 1.302 287 HD21 LEU 39 1HD2 LEU 39 5.239 9.167 0.483 288 HD22 LEU 39 2HD2 LEU 39 4.323 10.275 1.506 289 HD23 LEU 39 3HD2 LEU 39 3.522 9.431 0.181 290 H GLN 40 H GLN 40 3.443 9.568 5.314 291 HA GLN 40 HA GLN 40 6.095 8.779 5.463 292 HB2 GLN 40 1HB GLN 40 4.594 10.250 7.632 293 HB3 GLN 40 2HB GLN 40 6.321 10.312 7.310 294 HG2 GLN 40 1HG GLN 40 4.138 11.351 5.518 295 HG3 GLN 40 2HG GLN 40 5.224 12.317 6.516 296 HE21 GLN 40 1HE2 GLN 40 7.614 11.029 6.054 297 HE22 GLN 40 2HE2 GLN 40 8.068 11.240 4.401 298 H ASP 41 H ASP 41 3.567 8.279 7.929 299 HA ASP 41 HA ASP 41 5.099 6.726 9.671 300 HB2 ASP 41 1HB ASP 41 2.798 7.771 10.070 301 HB3 ASP 41 2HB ASP 41 2.135 6.351 9.265 302 H LEU 42 H LEU 42 2.973 5.735 7.007 303 HA LEU 42 HA LEU 42 3.167 2.978 7.326 304 HB2 LEU 42 1HB LEU 42 2.569 4.801 5.063 305 HB3 LEU 42 2HB LEU 42 2.939 3.121 4.678 306 HG LEU 42 HG LEU 42 0.765 3.947 6.594 307 HD11 LEU 42 1HD1 LEU 42 0.810 3.837 3.651 308 HD12 LEU 42 2HD1 LEU 42 -0.232 4.751 4.741 309 HD13 LEU 42 3HD1 LEU 42 -0.558 3.045 4.434 310 HD21 LEU 42 1HD2 LEU 42 0.289 1.468 5.339 311 HD22 LEU 42 2HD2 LEU 42 0.661 1.777 7.036 312 HD23 LEU 42 3HD2 LEU 42 1.964 1.452 5.891 313 H GLU 43 H GLU 43 5.098 5.069 5.175 314 HA GLU 43 HA GLU 43 6.809 3.220 4.109 315 HB2 GLU 43 1HB GLU 43 7.102 6.101 4.823 316 HB3 GLU 43 2HB GLU 43 8.544 5.215 4.348 317 HG2 GLU 43 1HG GLU 43 7.546 4.643 2.228 318 HG3 GLU 43 2HG GLU 43 6.032 5.411 2.704 319 H LEU 44 H LEU 44 7.038 4.774 7.277 320 HA LEU 44 HA LEU 44 9.527 3.537 7.953 321 HB2 LEU 44 1HB LEU 44 7.459 5.074 9.482 322 HB3 LEU 44 2HB LEU 44 8.798 4.285 10.312 323 HG LEU 44 HG LEU 44 9.222 6.291 8.110 324 HD11 LEU 44 1HD1 LEU 44 8.861 8.016 9.471 325 HD12 LEU 44 2HD1 LEU 44 9.697 7.239 10.815 326 HD13 LEU 44 3HD1 LEU 44 7.999 6.879 10.507 327 HD21 LEU 44 1HD2 LEU 44 11.118 4.871 8.606 328 HD22 LEU 44 2HD2 LEU 44 10.974 5.232 10.326 329 HD23 LEU 44 3HD2 LEU 44 11.424 6.505 9.191 330 H LYS 45 H LYS 45 6.327 3.171 9.486 331 HA LYS 45 HA LYS 45 6.747 0.964 10.997 332 HB2 LYS 45 1HB LYS 45 4.605 2.231 10.827 333 HB3 LYS 45 2HB LYS 45 4.271 1.395 9.316 334 HG2 LYS 45 1HG LYS 45 4.039 -0.684 10.401 335 HG3 LYS 45 2HG LYS 45 4.742 -0.066 11.898 336 HD2 LYS 45 1HD LYS 45 2.506 -0.028 12.426 337 HD3 LYS 45 2HD LYS 45 2.720 1.605 11.789 338 HE2 LYS 45 1HE LYS 45 1.665 1.091 9.781 339 HE3 LYS 45 2HE LYS 45 1.920 -0.642 9.978 340 HZ1 LYS 45 1HZ LYS 45 0.282 0.632 12.007 341 HZ2 LYS 45 2HZ LYS 45 0.083 -0.858 11.233 342 HZ3 LYS 45 3HZ LYS 45 -0.398 0.568 10.459 343 H THR 46 H THR 46 6.358 1.058 7.517 344 HA THR 46 HA THR 46 6.572 -1.867 7.388 345 HB THR 46 HB THR 46 5.796 -1.757 5.136 346 HG1 THR 46 HG1 THR 46 6.286 1.029 5.395 347 HG21 THR 46 1HG2 THR 46 4.280 0.118 6.944 348 HG22 THR 46 2HG2 THR 46 3.981 -1.597 6.664 349 HG23 THR 46 3HG2 THR 46 3.664 -0.426 5.385 350 H ALA 47 H ALA 47 8.405 0.966 7.030 351 HA ALA 47 HA ALA 47 10.490 1.420 6.224 352 HB1 ALA 47 1HB ALA 47 11.214 -0.099 7.896 353 HB2 ALA 47 2HB ALA 47 10.768 -1.495 6.915 354 HB3 ALA 47 3HB ALA 47 12.126 -0.478 6.435 355 H THR 48 H THR 48 8.575 0.960 4.222 356 HA THR 48 HA THR 48 10.165 -0.403 2.147 357 HB THR 48 HB THR 48 8.045 -0.661 0.885 358 HG1 THR 48 HG1 THR 48 6.111 -0.130 1.855 359 HG21 THR 48 1HG2 THR 48 7.288 -2.548 2.061 360 HG22 THR 48 2HG2 THR 48 7.686 -1.839 3.627 361 HG23 THR 48 3HG2 THR 48 8.974 -2.376 2.548 362 H LYS 49 H LYS 49 9.496 0.491 -0.126 363 HA LYS 49 HA LYS 49 9.737 3.422 0.019 364 HB2 LYS 49 1HB LYS 49 11.655 2.183 -0.982 365 HB3 LYS 49 2HB LYS 49 10.573 1.588 -2.234 366 HG2 LYS 49 1HG LYS 49 11.693 3.394 -3.205 367 HG3 LYS 49 2HG LYS 49 10.104 4.028 -2.771 368 HD2 LYS 49 1HD LYS 49 11.552 5.693 -2.039 369 HD3 LYS 49 2HD LYS 49 11.251 4.757 -0.572 370 HE2 LYS 49 1HE LYS 49 13.546 5.004 -0.520 371 HE3 LYS 49 2HE LYS 49 13.366 3.433 -1.300 372 HZ1 LYS 49 1HZ LYS 49 13.465 5.798 -3.016 373 HZ2 LYS 49 2HZ LYS 49 14.055 4.237 -3.293 374 HZ3 LYS 49 3HZ LYS 49 14.910 5.299 -2.292 375 H ILE 50 H ILE 50 7.441 3.680 0.144 376 HA ILE 50 HA ILE 50 5.713 2.693 -1.900 377 HB ILE 50 HB ILE 50 5.264 4.943 0.064 378 HG12 ILE 50 1HG1 ILE 50 4.337 2.067 0.198 379 HG13 ILE 50 2HG1 ILE 50 5.741 2.690 1.059 380 HG21 ILE 50 1HG2 ILE 50 3.792 4.333 -2.187 381 HG22 ILE 50 2HG2 ILE 50 2.928 3.508 -0.892 382 HG23 ILE 50 3HG2 ILE 50 3.225 5.243 -0.786 383 HD11 ILE 50 1HD1 ILE 50 2.902 2.921 1.677 384 HD12 ILE 50 2HD1 ILE 50 4.311 3.026 2.733 385 HD13 ILE 50 3HD1 ILE 50 3.792 4.438 1.815 386 H GLN 51 H GLN 51 5.288 3.504 -3.848 387 HA GLN 51 HA GLN 51 6.053 6.291 -4.408 388 HB2 GLN 51 1HB GLN 51 7.530 4.315 -5.358 389 HB3 GLN 51 2HB GLN 51 6.249 4.229 -6.559 390 HG2 GLN 51 1HG GLN 51 6.639 6.753 -6.845 391 HG3 GLN 51 2HG GLN 51 8.162 6.458 -6.007 392 HE21 GLN 51 1HE2 GLN 51 8.116 7.436 -8.568 393 HE22 GLN 51 2HE2 GLN 51 8.723 6.240 -9.656 394 H ILE 52 H ILE 52 4.223 7.368 -4.730 395 HA ILE 52 HA ILE 52 1.978 6.026 -6.055 396 HB ILE 52 HB ILE 52 2.031 8.675 -4.603 397 HG12 ILE 52 1HG1 ILE 52 0.684 6.163 -3.644 398 HG13 ILE 52 2HG1 ILE 52 2.383 6.461 -3.293 399 HG21 ILE 52 1HG2 ILE 52 -0.221 8.889 -4.982 400 HG22 ILE 52 2HG2 ILE 52 0.292 8.127 -6.487 401 HG23 ILE 52 3HG2 ILE 52 -0.457 7.158 -5.218 402 HD11 ILE 52 1HD1 ILE 52 0.381 8.566 -2.651 403 HD12 ILE 52 2HD1 ILE 52 0.531 7.158 -1.599 404 HD13 ILE 52 3HD1 ILE 52 1.925 8.202 -1.880 405 HA PRO 53 HA PRO 53 2.811 8.181 -9.823 406 HB2 PRO 53 1HB PRO 53 0.415 7.743 -11.023 407 HB3 PRO 53 2HB PRO 53 1.650 6.488 -10.856 408 HG2 PRO 53 1HG PRO 53 -0.794 6.974 -9.197 409 HG3 PRO 53 2HG PRO 53 -0.137 5.442 -9.800 410 HD2 PRO 53 1HD PRO 53 0.239 6.286 -7.256 411 HD3 PRO 53 2HD PRO 53 1.442 5.314 -8.126 412 H ARG 54 H ARG 54 2.313 10.123 -10.843 413 HA ARG 54 HA ARG 54 1.256 12.177 -9.278 414 HB2 ARG 54 1HB ARG 54 1.951 11.914 -12.177 415 HB3 ARG 54 2HB ARG 54 1.105 13.353 -11.622 416 HG2 ARG 54 1HG ARG 54 2.884 13.986 -10.220 417 HG3 ARG 54 2HG ARG 54 3.651 12.402 -10.348 418 HD2 ARG 54 1HD ARG 54 4.947 13.592 -11.808 419 HD3 ARG 54 2HD ARG 54 3.700 13.007 -12.910 420 HE ARG 54 HE ARG 54 2.785 15.427 -11.991 421 HH11 ARG 54 1HH1 ARG 54 5.612 14.289 -13.673 422 HH12 ARG 54 2HH1 ARG 54 5.862 15.775 -14.527 423 HH21 ARG 54 1HH2 ARG 54 3.104 17.390 -13.110 424 HH22 ARG 54 2HH2 ARG 54 4.436 17.539 -14.205 425 HA PRO 55 HA PRO 55 -3.096 12.078 -9.828 426 HB2 PRO 55 1HB PRO 55 -3.705 14.720 -9.942 427 HB3 PRO 55 2HB PRO 55 -3.204 13.914 -8.451 428 HG2 PRO 55 1HG PRO 55 -1.586 15.586 -10.334 429 HG3 PRO 55 2HG PRO 55 -1.599 15.593 -8.561 430 HD2 PRO 55 1HD PRO 55 0.320 14.336 -10.000 431 HD3 PRO 55 2HD PRO 55 -0.230 13.743 -8.419 432 H ASP 56 H ASP 56 -1.099 13.591 -12.200 433 HA ASP 56 HA ASP 56 -3.315 13.827 -14.097 434 HB2 ASP 56 1HB ASP 56 -0.441 14.753 -14.220 435 HB3 ASP 56 2HB ASP 56 -1.572 14.904 -15.562 436 H ASP 57 H ASP 57 -0.631 11.823 -13.311 437 HA ASP 57 HA ASP 57 -0.254 10.623 -15.863 438 HB2 ASP 57 1HB ASP 57 1.255 10.610 -13.700 439 HB3 ASP 57 2HB ASP 57 0.345 9.147 -13.332 440 HA PRO 58 HA PRO 58 -3.777 7.981 -16.027 441 HB2 PRO 58 1HB PRO 58 -2.859 6.209 -17.868 442 HB3 PRO 58 2HB PRO 58 -3.375 7.847 -18.285 443 HG2 PRO 58 1HG PRO 58 -0.609 6.781 -17.861 444 HG3 PRO 58 2HG PRO 58 -1.204 7.880 -19.120 445 HD2 PRO 58 1HD PRO 58 0.142 8.756 -16.940 446 HD3 PRO 58 2HD PRO 58 -1.123 9.718 -17.732 447 H SER 59 H SER 59 -0.946 7.235 -14.531 448 HA SER 59 HA SER 59 -1.575 4.408 -14.109 449 HB2 SER 59 1HB SER 59 0.844 6.106 -13.544 450 HB3 SER 59 2HB SER 59 0.640 4.534 -12.771 451 HG SER 59 HG SER 59 1.449 3.774 -14.549 452 H ASN 60 H ASN 60 -2.796 3.846 -12.446 453 HA ASN 60 HA ASN 60 -2.785 5.558 -10.047 454 HB2 ASN 60 1HB ASN 60 -5.125 4.677 -9.668 455 HB3 ASN 60 2HB ASN 60 -4.941 5.750 -11.051 456 HD21 ASN 60 1HD2 ASN 60 -5.929 2.702 -9.973 457 HD22 ASN 60 2HD2 ASN 60 -6.279 2.001 -11.514 458 H GLN 61 H GLN 61 -1.040 3.296 -10.635 459 HA GLN 61 HA GLN 61 -1.949 1.388 -8.586 460 HB2 GLN 61 1HB GLN 61 -0.343 -0.204 -9.613 461 HB3 GLN 61 2HB GLN 61 -1.619 0.299 -10.714 462 HG2 GLN 61 1HG GLN 61 0.066 2.046 -11.544 463 HG3 GLN 61 2HG GLN 61 1.273 1.064 -10.716 464 HE21 GLN 61 1HE2 GLN 61 0.597 -1.446 -11.194 465 HE22 GLN 61 2HE2 GLN 61 0.573 -1.791 -12.886 466 H ILE 62 H ILE 62 -0.977 1.545 -6.687 467 HA ILE 62 HA ILE 62 1.348 3.168 -6.308 468 HB ILE 62 HB ILE 62 -0.286 1.447 -4.462 469 HG12 ILE 62 1HG1 ILE 62 0.274 4.420 -4.528 470 HG13 ILE 62 2HG1 ILE 62 -1.176 3.649 -5.161 471 HG21 ILE 62 1HG2 ILE 62 1.906 1.170 -3.612 472 HG22 ILE 62 2HG2 ILE 62 2.296 2.869 -3.870 473 HG23 ILE 62 3HG2 ILE 62 1.141 2.411 -2.620 474 HD11 ILE 62 1HD1 ILE 62 -1.377 2.719 -2.729 475 HD12 ILE 62 2HD1 ILE 62 -0.338 4.092 -2.344 476 HD13 ILE 62 3HD1 ILE 62 -1.902 4.359 -3.115 477 H LYS 63 H LYS 63 3.403 2.536 -5.617 478 HA LYS 63 HA LYS 63 4.078 -0.271 -6.202 479 HB2 LYS 63 1HB LYS 63 5.236 0.959 -7.797 480 HB3 LYS 63 2HB LYS 63 5.531 2.300 -6.698 481 HG2 LYS 63 1HG LYS 63 7.271 1.165 -5.605 482 HG3 LYS 63 2HG LYS 63 6.809 -0.387 -6.308 483 HD2 LYS 63 1HD LYS 63 7.552 1.831 -8.148 484 HD3 LYS 63 2HD LYS 63 8.840 1.017 -7.257 485 HE2 LYS 63 1HE LYS 63 6.813 -0.660 -8.639 486 HE3 LYS 63 2HE LYS 63 8.017 0.166 -9.627 487 HZ1 LYS 63 1HZ LYS 63 9.585 -1.255 -8.990 488 HZ2 LYS 63 2HZ LYS 63 8.350 -2.220 -8.356 489 HZ3 LYS 63 3HZ LYS 63 9.171 -1.133 -7.354 490 H ILE 64 H ILE 64 5.098 -1.462 -4.693 491 HA ILE 64 HA ILE 64 6.113 -0.091 -2.295 492 HB ILE 64 HB ILE 64 5.291 -2.382 -1.185 493 HG12 ILE 64 1HG1 ILE 64 3.196 -1.796 -3.287 494 HG13 ILE 64 2HG1 ILE 64 4.300 -3.167 -3.330 495 HG21 ILE 64 1HG2 ILE 64 3.255 -0.223 -1.551 496 HG22 ILE 64 2HG2 ILE 64 3.670 -1.135 -0.100 497 HG23 ILE 64 3HG2 ILE 64 4.764 0.109 -0.703 498 HD11 ILE 64 1HD1 ILE 64 3.019 -3.174 -0.810 499 HD12 ILE 64 2HD1 ILE 64 1.784 -2.952 -2.050 500 HD13 ILE 64 3HD1 ILE 64 2.872 -4.338 -2.125 501 H THR 65 H THR 65 8.179 -0.544 -1.974 502 HA THR 65 HA THR 65 9.191 -3.189 -2.790 503 HB THR 65 HB THR 65 10.746 -0.599 -2.935 504 HG1 THR 65 HG1 THR 65 10.472 -0.829 -5.192 505 HG21 THR 65 1HG2 THR 65 12.517 -1.823 -3.821 506 HG22 THR 65 2HG2 THR 65 11.491 -3.197 -4.232 507 HG23 THR 65 3HG2 THR 65 11.912 -2.883 -2.548 508 H GLY 66 H GLY 66 10.720 -4.160 -1.462 509 HA2 GLY 66 1HA GLY 66 12.282 -3.272 0.515 510 HA3 GLY 66 2HA GLY 66 10.704 -3.202 1.285 511 H THR 67 H THR 67 11.255 -4.762 2.819 512 HA THR 67 HA THR 67 12.186 -7.363 2.022 513 HB THR 67 HB THR 67 11.909 -7.974 4.391 514 HG1 THR 67 HG1 THR 67 11.148 -6.371 5.842 515 HG21 THR 67 1HG2 THR 67 13.233 -5.294 3.952 516 HG22 THR 67 2HG2 THR 67 13.973 -6.878 3.719 517 HG23 THR 67 3HG2 THR 67 13.510 -6.350 5.336 518 H LYS 68 H LYS 68 11.052 -9.281 1.984 519 HA LYS 68 HA LYS 68 8.575 -9.450 0.943 520 HB2 LYS 68 1HB LYS 68 10.116 -11.367 1.301 521 HB3 LYS 68 2HB LYS 68 9.650 -11.392 2.996 522 HG2 LYS 68 1HG LYS 68 8.368 -13.069 2.010 523 HG3 LYS 68 2HG LYS 68 7.261 -11.702 2.156 524 HD2 LYS 68 1HD LYS 68 6.880 -12.461 -0.009 525 HD3 LYS 68 2HD LYS 68 8.014 -11.130 -0.248 526 HE2 LYS 68 1HE LYS 68 8.800 -12.895 -1.600 527 HE3 LYS 68 2HE LYS 68 9.854 -12.868 -0.186 528 HZ1 LYS 68 1HZ LYS 68 8.032 -14.913 -1.081 529 HZ2 LYS 68 2HZ LYS 68 7.901 -14.567 0.570 530 HZ3 LYS 68 3HZ LYS 68 9.391 -15.036 -0.081 531 H GLU 69 H GLU 69 9.335 -9.075 4.358 532 HA GLU 69 HA GLU 69 6.583 -9.325 5.184 533 HB2 GLU 69 1HB GLU 69 9.018 -8.384 6.712 534 HB3 GLU 69 2HB GLU 69 7.440 -8.713 7.417 535 HG2 GLU 69 1HG GLU 69 7.671 -10.979 7.228 536 HG3 GLU 69 2HG GLU 69 8.783 -10.864 5.865 537 H GLY 70 H GLY 70 8.923 -6.699 4.760 538 HA2 GLY 70 1HA GLY 70 7.410 -4.592 5.776 539 HA3 GLY 70 2HA GLY 70 8.627 -4.437 4.518 540 H ILE 71 H ILE 71 7.720 -5.486 2.335 541 HA ILE 71 HA ILE 71 5.834 -3.732 1.328 542 HB ILE 71 HB ILE 71 6.451 -6.509 0.311 543 HG12 ILE 71 1HG1 ILE 71 7.600 -3.879 -0.625 544 HG13 ILE 71 2HG1 ILE 71 8.386 -4.882 0.589 545 HG21 ILE 71 1HG2 ILE 71 4.808 -4.280 -0.737 546 HG22 ILE 71 2HG2 ILE 71 5.821 -5.147 -1.891 547 HG23 ILE 71 3HG2 ILE 71 4.621 -6.022 -0.940 548 HD11 ILE 71 1HD1 ILE 71 7.644 -6.049 -2.052 549 HD12 ILE 71 2HD1 ILE 71 9.097 -5.064 -1.890 550 HD13 ILE 71 3HD1 ILE 71 8.913 -6.531 -0.927 551 H GLU 72 H GLU 72 5.358 -7.041 2.521 552 HA GLU 72 HA GLU 72 2.685 -7.379 1.900 553 HB2 GLU 72 1HB GLU 72 4.394 -8.407 4.143 554 HB3 GLU 72 2HB GLU 72 2.681 -8.798 4.080 555 HG2 GLU 72 1HG GLU 72 4.469 -9.297 1.733 556 HG3 GLU 72 2HG GLU 72 4.356 -10.448 3.063 557 H LYS 73 H LYS 73 4.089 -5.938 4.829 558 HA LYS 73 HA LYS 73 1.751 -5.419 6.224 559 HB2 LYS 73 1HB LYS 73 4.397 -3.986 6.128 560 HB3 LYS 73 2HB LYS 73 3.094 -3.437 7.174 561 HG2 LYS 73 1HG LYS 73 3.258 -5.246 8.563 562 HG3 LYS 73 2HG LYS 73 3.915 -6.293 7.302 563 HD2 LYS 73 1HD LYS 73 6.057 -5.274 7.455 564 HD3 LYS 73 2HD LYS 73 5.435 -3.970 8.470 565 HE2 LYS 73 1HE LYS 73 5.012 -5.533 10.271 566 HE3 LYS 73 2HE LYS 73 5.510 -6.884 9.252 567 HZ1 LYS 73 1HZ LYS 73 7.118 -5.018 10.738 568 HZ2 LYS 73 2HZ LYS 73 7.642 -5.227 9.144 569 HZ3 LYS 73 3HZ LYS 73 7.503 -6.565 10.168 570 H ALA 74 H ALA 74 3.510 -3.142 4.110 571 HA ALA 74 HA ALA 74 1.559 -1.127 4.159 572 HB1 ALA 74 1HB ALA 74 2.781 -0.787 1.734 573 HB2 ALA 74 2HB ALA 74 3.378 -0.172 3.275 574 HB3 ALA 74 3HB ALA 74 3.986 -1.702 2.641 575 H ARG 75 H ARG 75 1.940 -3.961 2.118 576 HA ARG 75 HA ARG 75 -0.001 -3.237 0.180 577 HB2 ARG 75 1HB ARG 75 1.866 -5.115 0.197 578 HB3 ARG 75 2HB ARG 75 0.548 -6.101 0.814 579 HG2 ARG 75 1HG ARG 75 -0.793 -5.470 -1.170 580 HG3 ARG 75 2HG ARG 75 0.613 -4.608 -1.798 581 HD2 ARG 75 1HD ARG 75 0.724 -6.682 -2.852 582 HD3 ARG 75 2HD ARG 75 1.853 -6.838 -1.506 583 HE ARG 75 HE ARG 75 0.531 -8.495 -0.670 584 HH11 ARG 75 1HH1 ARG 75 -1.366 -6.564 -2.858 585 HH12 ARG 75 2HH1 ARG 75 -2.760 -7.588 -2.760 586 HH21 ARG 75 1HH2 ARG 75 -1.297 -9.853 -0.533 587 HH22 ARG 75 2HH2 ARG 75 -2.721 -9.458 -1.436 588 H HIS 76 H HIS 76 -0.143 -4.922 3.257 589 HA HIS 76 HA HIS 76 -2.852 -5.800 2.945 590 HB2 HIS 76 1HB HIS 76 -1.064 -6.821 4.466 591 HB3 HIS 76 2HB HIS 76 -1.394 -5.484 5.566 592 HD1 HIS 76 HD1 HIS 76 -3.132 -8.452 3.990 593 HD2 HIS 76 HD2 HIS 76 -3.574 -5.831 7.183 594 HE1 HIS 76 HE1 HIS 76 -5.042 -9.364 5.349 595 H GLU 77 H GLU 77 -1.255 -3.065 4.504 596 HA GLU 77 HA GLU 77 -3.608 -2.032 5.727 597 HB2 GLU 77 1HB GLU 77 -0.972 -0.718 5.051 598 HB3 GLU 77 2HB GLU 77 -2.243 0.050 5.991 599 HG2 GLU 77 1HG GLU 77 -0.953 -2.548 6.777 600 HG3 GLU 77 2HG GLU 77 -0.371 -0.972 7.310 601 H VAL 78 H VAL 78 -1.809 -1.127 2.794 602 HA VAL 78 HA VAL 78 -3.448 0.974 1.972 603 HB VAL 78 HB VAL 78 -1.203 0.333 1.001 604 HG11 VAL 78 1HG1 VAL 78 -1.082 -1.270 -0.755 605 HG12 VAL 78 2HG1 VAL 78 -1.854 -2.062 0.621 606 HG13 VAL 78 3HG1 VAL 78 -2.830 -1.508 -0.741 607 HG21 VAL 78 1HG2 VAL 78 -3.382 1.664 -0.126 608 HG22 VAL 78 2HG2 VAL 78 -1.687 1.814 -0.588 609 HG23 VAL 78 3HG2 VAL 78 -2.730 0.661 -1.420 610 H LEU 79 H LEU 79 -3.773 -2.496 1.527 611 HA LEU 79 HA LEU 79 -5.945 -2.310 -0.329 612 HB2 LEU 79 1HB LEU 79 -4.668 -4.514 1.233 613 HB3 LEU 79 2HB LEU 79 -6.214 -4.788 0.433 614 HG LEU 79 HG LEU 79 -3.871 -3.746 -1.114 615 HD11 LEU 79 1HD1 LEU 79 -4.269 -6.622 -1.288 616 HD12 LEU 79 2HD1 LEU 79 -3.713 -6.100 0.302 617 HD13 LEU 79 3HD1 LEU 79 -2.780 -5.689 -1.137 618 HD21 LEU 79 1HD2 LEU 79 -6.181 -3.769 -2.061 619 HD22 LEU 79 2HD2 LEU 79 -6.165 -5.527 -1.915 620 HD23 LEU 79 3HD2 LEU 79 -5.009 -4.718 -2.975 621 H LEU 80 H LEU 80 -5.641 -2.779 3.154 622 HA LEU 80 HA LEU 80 -8.332 -3.372 3.699 623 HB2 LEU 80 1HB LEU 80 -6.008 -2.396 5.260 624 HB3 LEU 80 2HB LEU 80 -7.607 -2.190 5.973 625 HG LEU 80 HG LEU 80 -6.517 -4.844 5.049 626 HD11 LEU 80 1HD1 LEU 80 -5.555 -3.383 7.172 627 HD12 LEU 80 2HD1 LEU 80 -5.443 -5.132 6.981 628 HD13 LEU 80 3HD1 LEU 80 -6.763 -4.431 7.917 629 HD21 LEU 80 1HD2 LEU 80 -8.320 -5.733 6.462 630 HD22 LEU 80 2HD2 LEU 80 -8.938 -4.738 5.144 631 HD23 LEU 80 3HD2 LEU 80 -8.867 -4.088 6.782 632 H ILE 81 H ILE 81 -6.596 -0.297 3.513 633 HA ILE 81 HA ILE 81 -8.730 1.339 4.378 634 HB ILE 81 HB ILE 81 -6.391 2.032 2.599 635 HG12 ILE 81 1HG1 ILE 81 -6.608 2.832 5.466 636 HG13 ILE 81 2HG1 ILE 81 -6.163 1.169 5.098 637 HG21 ILE 81 1HG2 ILE 81 -8.002 3.973 4.222 638 HG22 ILE 81 2HG2 ILE 81 -6.877 4.298 2.904 639 HG23 ILE 81 3HG2 ILE 81 -8.444 3.564 2.565 640 HD11 ILE 81 1HD1 ILE 81 -4.491 2.541 3.463 641 HD12 ILE 81 2HD1 ILE 81 -4.616 3.634 4.841 642 HD13 ILE 81 3HD1 ILE 81 -4.082 1.971 5.081 643 H SER 82 H SER 82 -7.478 0.775 1.083 644 HA SER 82 HA SER 82 -9.408 2.170 -0.319 645 HB2 SER 82 1HB SER 82 -7.481 1.364 -1.484 646 HB3 SER 82 2HB SER 82 -7.857 -0.310 -1.077 647 HG SER 82 HG SER 82 -9.339 -0.372 -2.609 648 H ALA 83 H ALA 83 -9.459 -1.219 0.724 649 HA ALA 83 HA ALA 83 -11.831 -2.018 -0.480 650 HB1 ALA 83 1HB ALA 83 -10.365 -2.899 1.966 651 HB2 ALA 83 2HB ALA 83 -11.960 -3.568 1.614 652 HB3 ALA 83 3HB ALA 83 -10.647 -3.759 0.451 653 H GLU 84 H GLU 84 -11.394 -0.770 2.836 654 HA GLU 84 HA GLU 84 -14.027 -0.751 3.643 655 HB2 GLU 84 1HB GLU 84 -11.630 0.866 4.353 656 HB3 GLU 84 2HB GLU 84 -13.193 1.439 4.915 657 HG2 GLU 84 1HG GLU 84 -12.175 -1.344 5.407 658 HG3 GLU 84 2HG GLU 84 -11.932 -0.002 6.523 659 H GLN 85 H GLN 85 -12.286 1.716 1.794 660 HA GLN 85 HA GLN 85 -14.248 3.685 1.733 661 HB2 GLN 85 1HB GLN 85 -12.252 2.956 -0.417 662 HB3 GLN 85 2HB GLN 85 -13.158 4.462 -0.347 663 HG2 GLN 85 1HG GLN 85 -11.098 3.498 1.621 664 HG3 GLN 85 2HG GLN 85 -10.937 4.827 0.475 665 HE21 GLN 85 1HE2 GLN 85 -10.652 4.856 3.360 666 HE22 GLN 85 2HE2 GLN 85 -11.809 5.993 3.953 667 H ASP 86 H ASP 86 -13.646 1.128 -0.677 668 HA ASP 86 HA ASP 86 -15.584 1.584 -2.502 669 HB2 ASP 86 1HB ASP 86 -14.276 -0.294 -2.934 670 HB3 ASP 86 2HB ASP 86 -14.552 -0.978 -1.334 671 H LYS 87 H LYS 87 -16.068 0.052 0.655 672 HA LYS 87 HA LYS 87 -18.801 -0.541 0.331 673 HB2 LYS 87 1HB LYS 87 -17.494 -1.580 2.088 674 HB3 LYS 87 2HB LYS 87 -17.189 -0.016 2.832 675 HG2 LYS 87 1HG LYS 87 -19.419 0.197 3.546 676 HG3 LYS 87 2HG LYS 87 -19.961 -1.118 2.502 677 HD2 LYS 87 1HD LYS 87 -18.337 -2.575 3.895 678 HD3 LYS 87 2HD LYS 87 -18.405 -1.251 5.061 679 HE2 LYS 87 1HE LYS 87 -20.703 -1.541 5.423 680 HE3 LYS 87 2HE LYS 87 -20.900 -2.503 3.959 681 HZ1 LYS 87 1HZ LYS 87 -20.276 -4.369 5.003 682 HZ2 LYS 87 2HZ LYS 87 -20.682 -3.533 6.416 683 HZ3 LYS 87 3HZ LYS 87 -19.070 -3.605 5.910 684 H ARG 88 H ARG 88 -17.197 2.215 1.915 685 HA ARG 88 HA ARG 88 -19.574 3.585 2.573 686 HB2 ARG 88 1HB ARG 88 -16.754 4.595 2.177 687 HB3 ARG 88 2HB ARG 88 -18.069 5.572 2.818 688 HG2 ARG 88 1HG ARG 88 -18.246 4.214 4.756 689 HG3 ARG 88 2HG ARG 88 -17.168 2.995 4.075 690 HD2 ARG 88 1HD ARG 88 -15.865 4.215 5.615 691 HD3 ARG 88 2HD ARG 88 -15.391 4.798 4.019 692 HE ARG 88 HE ARG 88 -17.466 6.373 5.205 693 HH11 ARG 88 1HH1 ARG 88 -14.028 5.839 5.093 694 HH12 ARG 88 2HH1 ARG 88 -13.629 7.454 5.578 695 HH21 ARG 88 1HH2 ARG 88 -16.954 8.501 5.845 696 HH22 ARG 88 2HH2 ARG 88 -15.295 8.967 6.007 697 H SER 89 H SER 89 -20.711 5.179 1.539 698 HA SER 89 HA SER 89 -21.715 6.127 -0.285 699 HB2 SER 89 1HB SER 89 -18.829 6.909 -0.458 700 HB3 SER 89 2HB SER 89 -19.929 7.390 -1.749 701 HG SER 89 HG SER 89 -19.576 8.652 0.461 702 H GLY 90 H GLY 90 -21.274 3.382 -0.636 703 HA2 GLY 90 1HA GLY 90 -21.179 3.288 -3.553 704 HA3 GLY 90 2HA GLY 90 -20.021 2.282 -2.694 705 HA PRO 91 HA PRO 91 -23.771 -0.301 -3.374 706 HB2 PRO 91 1HB PRO 91 -22.376 -2.563 -3.931 707 HB3 PRO 91 2HB PRO 91 -22.760 -1.344 -5.153 708 HG2 PRO 91 1HG PRO 91 -20.217 -1.765 -3.630 709 HG3 PRO 91 2HG PRO 91 -20.442 -1.402 -5.350 710 HD2 PRO 91 1HD PRO 91 -19.754 0.491 -3.540 711 HD3 PRO 91 2HD PRO 91 -20.751 0.849 -4.964 712 H SER 92 H SER 92 -24.289 -0.200 -1.156 713 HA SER 92 HA SER 92 -22.759 -1.563 0.832 714 HB2 SER 92 1HB SER 92 -25.619 -0.572 0.935 715 HB3 SER 92 2HB SER 92 -24.654 -1.071 2.323 716 HG SER 92 HG SER 92 -23.774 0.827 2.333 717 H SER 93 H SER 93 -22.658 -3.680 1.112 718 HA SER 93 HA SER 93 -24.805 -5.369 0.056 719 HB2 SER 93 1HB SER 93 -21.958 -5.970 0.868 720 HB3 SER 93 2HB SER 93 -23.124 -7.226 0.453 721 HG SER 93 HG SER 93 -22.819 -6.785 -1.572 722 H GLY 94 H GLY 94 -26.066 -6.627 1.320 723 HA2 GLY 94 1HA GLY 94 -25.960 -6.156 4.183 724 HA3 GLY 94 2HA GLY 94 -27.230 -7.000 3.309 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 19.441 -41.144 3.133 2 HA2 GLY 1 1HA GLY 1 21.310 -40.861 4.684 3 HA3 GLY 1 2HA GLY 1 22.315 -40.478 3.293 4 H SER 2 H SER 2 20.317 -39.244 5.742 5 HA SER 2 HA SER 2 19.764 -36.719 4.455 6 HB2 SER 2 1HB SER 2 18.218 -37.731 6.132 7 HB3 SER 2 2HB SER 2 19.447 -37.472 7.370 8 HG SER 2 HG SER 2 17.770 -35.659 6.122 9 H SER 3 H SER 3 21.585 -37.616 7.393 10 HA SER 3 HA SER 3 23.430 -36.717 8.373 11 HB2 SER 3 1HB SER 3 23.935 -35.807 5.533 12 HB3 SER 3 2HB SER 3 25.096 -35.598 6.846 13 HG SER 3 HG SER 3 25.539 -37.670 6.798 14 H GLY 4 H GLY 4 21.059 -35.292 8.651 15 HA2 GLY 4 1HA GLY 4 21.980 -32.487 8.534 16 HA3 GLY 4 2HA GLY 4 20.292 -32.971 8.458 17 H SER 5 H SER 5 23.130 -32.874 10.562 18 HA SER 5 HA SER 5 21.314 -32.557 12.850 19 HB2 SER 5 1HB SER 5 22.583 -34.047 14.217 20 HB3 SER 5 2HB SER 5 22.270 -34.905 12.709 21 HG SER 5 HG SER 5 24.464 -33.808 12.171 22 H SER 6 H SER 6 22.080 -31.256 14.531 23 HA SER 6 HA SER 6 23.053 -29.312 15.257 24 HB2 SER 6 1HB SER 6 25.488 -30.986 14.601 25 HB3 SER 6 2HB SER 6 25.520 -29.523 15.584 26 HG SER 6 HG SER 6 23.734 -30.816 16.768 27 H GLY 7 H GLY 7 22.234 -29.040 12.627 28 HA2 GLY 7 1HA GLY 7 23.951 -26.900 11.767 29 HA3 GLY 7 2HA GLY 7 23.994 -28.284 10.683 30 H ASP 8 H ASP 8 22.135 -28.841 9.503 31 HA ASP 8 HA ASP 8 20.395 -28.276 8.134 32 HB2 ASP 8 1HB ASP 8 19.341 -28.854 10.411 33 HB3 ASP 8 2HB ASP 8 19.098 -27.119 10.592 34 H ILE 9 H ILE 9 22.293 -26.444 7.783 35 HA ILE 9 HA ILE 9 21.533 -23.768 8.330 36 HB ILE 9 HB ILE 9 23.310 -23.086 6.930 37 HG12 ILE 9 1HG1 ILE 9 22.736 -24.330 4.920 38 HG13 ILE 9 2HG1 ILE 9 24.422 -24.623 5.334 39 HG21 ILE 9 1HG2 ILE 9 24.122 -25.765 8.050 40 HG22 ILE 9 2HG2 ILE 9 25.176 -24.392 7.721 41 HG23 ILE 9 3HG2 ILE 9 23.962 -24.284 8.994 42 HD11 ILE 9 1HD1 ILE 9 23.338 -26.665 4.621 43 HD12 ILE 9 2HD1 ILE 9 23.792 -26.770 6.322 44 HD13 ILE 9 3HD1 ILE 9 22.113 -26.474 5.874 45 H VAL 10 H VAL 10 20.792 -22.163 6.852 46 HA VAL 10 HA VAL 10 19.102 -23.266 4.705 47 HB VAL 10 HB VAL 10 17.869 -22.187 6.572 48 HG11 VAL 10 1HG1 VAL 10 19.539 -19.842 5.744 49 HG12 VAL 10 2HG1 VAL 10 17.967 -19.613 6.512 50 HG13 VAL 10 3HG1 VAL 10 19.246 -20.484 7.359 51 HG21 VAL 10 1HG2 VAL 10 16.331 -21.055 5.198 52 HG22 VAL 10 2HG2 VAL 10 17.588 -20.537 4.074 53 HG23 VAL 10 3HG2 VAL 10 17.108 -22.233 4.140 54 H ALA 11 H ALA 11 18.860 -22.024 2.770 55 HA ALA 11 HA ALA 11 21.315 -20.888 1.859 56 HB1 ALA 11 1HB ALA 11 19.264 -22.143 0.622 57 HB2 ALA 11 2HB ALA 11 18.918 -20.462 0.210 58 HB3 ALA 11 3HB ALA 11 20.478 -21.169 -0.210 59 H ARG 12 H ARG 12 21.955 -18.899 2.351 60 HA ARG 12 HA ARG 12 19.976 -16.829 2.917 61 HB2 ARG 12 1HB ARG 12 21.797 -17.102 4.516 62 HB3 ARG 12 2HB ARG 12 22.981 -16.850 3.241 63 HG2 ARG 12 1HG ARG 12 22.882 -14.811 4.365 64 HG3 ARG 12 2HG ARG 12 21.898 -14.564 2.920 65 HD2 ARG 12 1HD ARG 12 19.879 -15.062 4.269 66 HD3 ARG 12 2HD ARG 12 20.903 -15.169 5.702 67 HE ARG 12 HE ARG 12 21.384 -12.701 4.506 68 HH11 ARG 12 1HH1 ARG 12 18.769 -14.388 6.067 69 HH12 ARG 12 2HH1 ARG 12 18.022 -12.944 6.665 70 HH21 ARG 12 1HH2 ARG 12 20.410 -10.793 5.289 71 HH22 ARG 12 2HH2 ARG 12 18.955 -10.900 6.221 72 H LEU 13 H LEU 13 19.768 -14.948 1.762 73 HA LEU 13 HA LEU 13 21.520 -14.468 -0.515 74 HB2 LEU 13 1HB LEU 13 18.532 -14.769 -0.785 75 HB3 LEU 13 2HB LEU 13 19.622 -14.215 -2.054 76 HG LEU 13 HG LEU 13 19.866 -16.940 -0.806 77 HD11 LEU 13 1HD1 LEU 13 18.589 -16.665 -3.450 78 HD12 LEU 13 2HD1 LEU 13 17.608 -16.216 -2.056 79 HD13 LEU 13 3HD1 LEU 13 18.301 -17.834 -2.162 80 HD21 LEU 13 1HD2 LEU 13 21.715 -15.782 -2.192 81 HD22 LEU 13 2HD2 LEU 13 20.664 -16.112 -3.570 82 HD23 LEU 13 3HD2 LEU 13 21.269 -17.443 -2.583 83 H GLN 14 H GLN 14 21.074 -12.345 -1.544 84 HA GLN 14 HA GLN 14 19.838 -10.451 0.342 85 HB2 GLN 14 1HB GLN 14 22.497 -10.280 -1.050 86 HB3 GLN 14 2HB GLN 14 21.661 -8.833 -0.502 87 HG2 GLN 14 1HG GLN 14 21.614 -9.819 1.788 88 HG3 GLN 14 2HG GLN 14 22.636 -11.123 1.183 89 HE21 GLN 14 1HE2 GLN 14 24.778 -10.795 0.964 90 HE22 GLN 14 2HE2 GLN 14 25.582 -9.315 1.347 91 H THR 15 H THR 15 17.998 -10.812 -1.153 92 HA THR 15 HA THR 15 18.253 -9.124 -3.556 93 HB THR 15 HB THR 15 16.267 -10.459 -4.433 94 HG1 THR 15 HG1 THR 15 15.539 -12.015 -3.207 95 HG21 THR 15 1HG2 THR 15 17.654 -12.102 -5.425 96 HG22 THR 15 2HG2 THR 15 18.759 -12.107 -4.050 97 HG23 THR 15 3HG2 THR 15 18.697 -10.713 -5.127 98 H GLN 16 H GLN 16 16.156 -8.125 -4.239 99 HA GLN 16 HA GLN 16 14.433 -7.501 -1.940 100 HB2 GLN 16 1HB GLN 16 15.625 -5.542 -3.905 101 HB3 GLN 16 2HB GLN 16 14.330 -5.142 -2.784 102 HG2 GLN 16 1HG GLN 16 17.167 -5.885 -2.149 103 HG3 GLN 16 2HG GLN 16 16.329 -4.373 -1.805 104 HE21 GLN 16 1HE2 GLN 16 14.168 -4.879 -0.531 105 HE22 GLN 16 2HE2 GLN 16 14.407 -5.847 0.880 106 H ALA 17 H ALA 17 12.281 -7.306 -2.363 107 HA ALA 17 HA ALA 17 11.451 -7.846 -5.137 108 HB1 ALA 17 1HB ALA 17 9.476 -8.913 -4.242 109 HB2 ALA 17 2HB ALA 17 10.916 -9.621 -3.509 110 HB3 ALA 17 3HB ALA 17 9.942 -8.466 -2.601 111 H SER 18 H SER 18 9.315 -6.961 -5.757 112 HA SER 18 HA SER 18 8.440 -4.600 -4.302 113 HB2 SER 18 1HB SER 18 8.519 -3.400 -6.672 114 HB3 SER 18 2HB SER 18 9.904 -3.368 -5.582 115 HG SER 18 HG SER 18 10.798 -4.070 -7.405 116 H ALA 19 H ALA 19 6.296 -4.541 -4.312 117 HA ALA 19 HA ALA 19 4.867 -5.893 -6.507 118 HB1 ALA 19 1HB ALA 19 3.055 -6.309 -4.862 119 HB2 ALA 19 2HB ALA 19 4.569 -7.123 -4.468 120 HB3 ALA 19 3HB ALA 19 4.104 -5.659 -3.601 121 H THR 20 H THR 20 2.465 -5.088 -6.537 122 HA THR 20 HA THR 20 2.336 -2.189 -6.124 123 HB THR 20 HB THR 20 1.061 -2.258 -8.463 124 HG1 THR 20 HG1 THR 20 2.110 -3.684 -9.881 125 HG21 THR 20 1HG2 THR 20 3.579 -1.925 -9.413 126 HG22 THR 20 2HG2 THR 20 3.849 -1.723 -7.682 127 HG23 THR 20 3HG2 THR 20 2.689 -0.694 -8.520 128 H VAL 21 H VAL 21 0.185 -1.331 -6.093 129 HA VAL 21 HA VAL 21 -1.931 -3.352 -5.765 130 HB VAL 21 HB VAL 21 -1.286 -2.703 -3.537 131 HG11 VAL 21 1HG1 VAL 21 -0.552 -0.316 -4.624 132 HG12 VAL 21 2HG1 VAL 21 -2.023 0.124 -3.755 133 HG13 VAL 21 3HG1 VAL 21 -0.684 -0.639 -2.897 134 HG21 VAL 21 1HG2 VAL 21 -3.886 -1.804 -4.628 135 HG22 VAL 21 2HG2 VAL 21 -3.531 -3.012 -3.393 136 HG23 VAL 21 3HG2 VAL 21 -3.489 -1.296 -2.987 137 H ALA 22 H ALA 22 -3.324 -3.003 -7.365 138 HA ALA 22 HA ALA 22 -3.646 -0.494 -8.666 139 HB1 ALA 22 1HB ALA 22 -4.386 -3.167 -9.157 140 HB2 ALA 22 2HB ALA 22 -5.871 -2.217 -9.161 141 HB3 ALA 22 3HB ALA 22 -4.542 -1.780 -10.235 142 H ILE 23 H ILE 23 -4.595 1.195 -7.735 143 HA ILE 23 HA ILE 23 -7.221 0.828 -6.504 144 HB ILE 23 HB ILE 23 -6.456 2.565 -4.735 145 HG12 ILE 23 1HG1 ILE 23 -3.814 1.319 -5.520 146 HG13 ILE 23 2HG1 ILE 23 -4.253 3.016 -5.683 147 HG21 ILE 23 1HG2 ILE 23 -6.668 0.849 -3.335 148 HG22 ILE 23 2HG2 ILE 23 -6.707 -0.198 -4.752 149 HG23 ILE 23 3HG2 ILE 23 -5.181 0.101 -3.920 150 HD11 ILE 23 1HD1 ILE 23 -3.756 3.459 -3.558 151 HD12 ILE 23 2HD1 ILE 23 -4.535 1.989 -2.970 152 HD13 ILE 23 3HD1 ILE 23 -2.887 1.925 -3.596 153 HA PRO 24 HA PRO 24 -8.280 4.515 -8.638 154 HB2 PRO 24 1HB PRO 24 -10.108 5.609 -6.956 155 HB3 PRO 24 2HB PRO 24 -10.439 4.171 -7.928 156 HG2 PRO 24 1HG PRO 24 -9.661 4.371 -5.044 157 HG3 PRO 24 2HG PRO 24 -10.884 3.336 -5.805 158 HD2 PRO 24 1HD PRO 24 -8.429 2.424 -5.116 159 HD3 PRO 24 2HD PRO 24 -9.322 1.798 -6.516 160 H LYS 25 H LYS 25 -7.591 6.582 -8.833 161 HA LYS 25 HA LYS 25 -5.615 7.617 -7.175 162 HB2 LYS 25 1HB LYS 25 -7.422 8.937 -9.194 163 HB3 LYS 25 2HB LYS 25 -6.154 9.820 -8.354 164 HG2 LYS 25 1HG LYS 25 -4.655 7.846 -9.235 165 HG3 LYS 25 2HG LYS 25 -5.943 7.711 -10.436 166 HD2 LYS 25 1HD LYS 25 -4.827 10.410 -9.868 167 HD3 LYS 25 2HD LYS 25 -3.847 9.284 -10.812 168 HE2 LYS 25 1HE LYS 25 -6.608 10.312 -11.438 169 HE3 LYS 25 2HE LYS 25 -5.122 10.578 -12.350 170 HZ1 LYS 25 1HZ LYS 25 -5.785 8.855 -13.570 171 HZ2 LYS 25 2HZ LYS 25 -6.949 8.370 -12.444 172 HZ3 LYS 25 3HZ LYS 25 -5.342 7.873 -12.265 173 H GLU 26 H GLU 26 -8.951 7.499 -6.658 174 HA GLU 26 HA GLU 26 -9.162 9.881 -5.054 175 HB2 GLU 26 1HB GLU 26 -11.409 9.344 -4.782 176 HB3 GLU 26 2HB GLU 26 -11.037 8.667 -6.361 177 HG2 GLU 26 1HG GLU 26 -10.527 6.512 -4.931 178 HG3 GLU 26 2HG GLU 26 -11.625 7.296 -3.797 179 H HIS 27 H HIS 27 -8.297 6.572 -4.552 180 HA HIS 27 HA HIS 27 -8.617 6.753 -1.663 181 HB2 HIS 27 1HB HIS 27 -7.695 4.517 -3.475 182 HB3 HIS 27 2HB HIS 27 -7.736 4.390 -1.718 183 HD1 HIS 27 HD1 HIS 27 -9.422 2.460 -3.320 184 HD2 HIS 27 HD2 HIS 27 -10.823 6.144 -2.007 185 HE1 HIS 27 HE1 HIS 27 -11.927 2.243 -3.259 186 H HIS 28 H HIS 28 -6.226 7.284 -4.035 187 HA HIS 28 HA HIS 28 -3.866 6.609 -2.742 188 HB2 HIS 28 1HB HIS 28 -4.559 8.771 -4.710 189 HB3 HIS 28 2HB HIS 28 -2.928 8.636 -4.059 190 HD2 HIS 28 HD2 HIS 28 -4.461 5.200 -4.681 191 HE1 HIS 28 HE1 HIS 28 -2.087 6.118 -8.074 192 HE2 HIS 28 HE2 HIS 28 -3.447 4.351 -6.903 193 H ARG 29 H ARG 29 -5.929 9.430 -2.340 194 HA ARG 29 HA ARG 29 -4.168 10.952 -0.747 195 HB2 ARG 29 1HB ARG 29 -6.170 12.210 -0.079 196 HB3 ARG 29 2HB ARG 29 -6.122 11.943 -1.817 197 HG2 ARG 29 1HG ARG 29 -7.666 9.992 -1.452 198 HG3 ARG 29 2HG ARG 29 -7.842 10.548 0.213 199 HD2 ARG 29 1HD ARG 29 -9.658 11.508 -0.889 200 HD3 ARG 29 2HD ARG 29 -8.472 12.810 -0.818 201 HE ARG 29 HE ARG 29 -8.157 11.400 -3.229 202 HH11 ARG 29 1HH1 ARG 29 -10.376 13.566 -1.648 203 HH12 ARG 29 2HH1 ARG 29 -10.972 14.244 -3.127 204 HH21 ARG 29 1HH2 ARG 29 -8.933 12.285 -5.183 205 HH22 ARG 29 2HH2 ARG 29 -10.152 13.515 -5.137 206 H PHE 30 H PHE 30 -6.648 8.563 0.062 207 HA PHE 30 HA PHE 30 -6.621 8.864 2.838 208 HB2 PHE 30 1HB PHE 30 -7.257 6.538 1.039 209 HB3 PHE 30 2HB PHE 30 -7.326 6.377 2.791 210 HD1 PHE 30 HD2 PHE 30 -8.805 8.031 -0.134 211 HD2 PHE 30 HD1 PHE 30 -9.085 7.367 4.061 212 HE1 PHE 30 HE2 PHE 30 -11.084 8.959 -0.143 213 HE2 PHE 30 HE1 PHE 30 -11.365 8.293 4.058 214 HZ PHE 30 HZ PHE 30 -12.366 9.092 1.955 215 H VAL 31 H VAL 31 -4.336 7.393 0.703 216 HA VAL 31 HA VAL 31 -2.985 5.945 2.828 217 HB VAL 31 HB VAL 31 -2.097 6.317 -0.033 218 HG11 VAL 31 1HG1 VAL 31 -1.378 4.043 1.781 219 HG12 VAL 31 2HG1 VAL 31 -0.550 4.619 0.332 220 HG13 VAL 31 3HG1 VAL 31 -0.472 5.557 1.824 221 HG21 VAL 31 1HG2 VAL 31 -3.197 4.322 -0.614 222 HG22 VAL 31 2HG2 VAL 31 -3.523 3.912 1.070 223 HG23 VAL 31 3HG2 VAL 31 -4.383 5.248 0.306 224 H ILE 32 H ILE 32 -2.532 8.829 0.861 225 HA ILE 32 HA ILE 32 0.112 9.397 1.704 226 HB ILE 32 HB ILE 32 -2.019 11.240 0.619 227 HG12 ILE 32 1HG1 ILE 32 0.402 10.111 -0.788 228 HG13 ILE 32 2HG1 ILE 32 -1.172 9.324 -0.824 229 HG21 ILE 32 1HG2 ILE 32 -0.066 12.725 0.083 230 HG22 ILE 32 2HG2 ILE 32 -0.461 12.596 1.796 231 HG23 ILE 32 3HG2 ILE 32 0.910 11.702 1.137 232 HD11 ILE 32 1HD1 ILE 32 -1.560 10.536 -2.643 233 HD12 ILE 32 2HD1 ILE 32 -1.744 11.912 -1.555 234 HD13 ILE 32 3HD1 ILE 32 -0.189 11.599 -2.326 235 H GLY 33 H GLY 33 -3.072 10.437 2.863 236 HA2 GLY 33 1HA GLY 33 -3.294 10.678 5.302 237 HA3 GLY 33 2HA GLY 33 -1.730 11.480 5.280 238 H LYS 34 H LYS 34 -3.799 12.718 6.512 239 HA LYS 34 HA LYS 34 -5.402 14.398 4.961 240 HB2 LYS 34 1HB LYS 34 -4.354 14.519 7.763 241 HB3 LYS 34 2HB LYS 34 -5.192 15.915 7.097 242 HG2 LYS 34 1HG LYS 34 -6.376 13.154 7.109 243 HG3 LYS 34 2HG LYS 34 -6.599 14.308 8.427 244 HD2 LYS 34 1HD LYS 34 -7.320 14.845 5.548 245 HD3 LYS 34 2HD LYS 34 -8.460 14.291 6.775 246 HE2 LYS 34 1HE LYS 34 -7.574 16.363 8.103 247 HE3 LYS 34 2HE LYS 34 -7.084 16.929 6.506 248 HZ1 LYS 34 1HZ LYS 34 -9.810 15.935 6.762 249 HZ2 LYS 34 2HZ LYS 34 -9.211 17.236 5.861 250 HZ3 LYS 34 3HZ LYS 34 -9.473 17.407 7.523 251 H ASN 35 H ASN 35 -2.239 15.074 6.457 252 HA ASN 35 HA ASN 35 -1.974 17.387 4.656 253 HB2 ASN 35 1HB ASN 35 -0.594 16.793 7.284 254 HB3 ASN 35 2HB ASN 35 -0.242 18.184 6.262 255 HD21 ASN 35 1HD2 ASN 35 -2.559 16.688 8.377 256 HD22 ASN 35 2HD2 ASN 35 -3.543 18.088 8.618 257 H GLY 36 H GLY 36 -0.786 14.266 5.353 258 HA2 GLY 36 1HA GLY 36 0.554 13.327 3.473 259 HA3 GLY 36 2HA GLY 36 1.560 14.760 3.622 260 H GLU 37 H GLU 37 0.249 12.367 5.921 261 HA GLU 37 HA GLU 37 3.007 11.877 6.823 262 HB2 GLU 37 1HB GLU 37 0.734 11.757 8.764 263 HB3 GLU 37 2HB GLU 37 2.443 12.039 9.067 264 HG2 GLU 37 1HG GLU 37 1.994 14.240 7.716 265 HG3 GLU 37 2HG GLU 37 0.327 13.943 8.207 266 H LYS 38 H LYS 38 -0.205 10.655 6.244 267 HA LYS 38 HA LYS 38 -0.011 8.106 7.340 268 HB2 LYS 38 1HB LYS 38 -2.073 9.139 6.372 269 HB3 LYS 38 2HB LYS 38 -1.418 8.839 4.766 270 HG2 LYS 38 1HG LYS 38 -2.872 7.063 5.117 271 HG3 LYS 38 2HG LYS 38 -1.286 6.383 5.489 272 HD2 LYS 38 1HD LYS 38 -1.859 7.130 7.927 273 HD3 LYS 38 2HD LYS 38 -3.521 7.115 7.335 274 HE2 LYS 38 1HE LYS 38 -1.567 4.822 7.377 275 HE3 LYS 38 2HE LYS 38 -3.051 4.981 8.315 276 HZ1 LYS 38 1HZ LYS 38 -4.221 4.137 6.650 277 HZ2 LYS 38 2HZ LYS 38 -2.771 3.772 5.861 278 HZ3 LYS 38 3HZ LYS 38 -3.570 5.227 5.532 279 H LEU 39 H LEU 39 1.513 9.446 4.545 280 HA LEU 39 HA LEU 39 2.226 6.844 3.461 281 HB2 LEU 39 1HB LEU 39 1.805 8.331 1.747 282 HB3 LEU 39 2HB LEU 39 2.568 9.677 2.590 283 HG LEU 39 HG LEU 39 4.773 8.418 2.176 284 HD11 LEU 39 1HD1 LEU 39 3.483 6.335 1.448 285 HD12 LEU 39 2HD1 LEU 39 4.866 6.825 0.470 286 HD13 LEU 39 3HD1 LEU 39 3.227 7.181 -0.078 287 HD21 LEU 39 1HD2 LEU 39 3.235 10.233 0.593 288 HD22 LEU 39 2HD2 LEU 39 4.166 9.177 -0.469 289 HD23 LEU 39 3HD2 LEU 39 4.986 10.124 0.773 290 H GLN 40 H GLN 40 3.802 9.620 4.995 291 HA GLN 40 HA GLN 40 6.435 8.623 4.850 292 HB2 GLN 40 1HB GLN 40 7.043 10.461 6.082 293 HB3 GLN 40 2HB GLN 40 5.484 11.003 5.476 294 HG2 GLN 40 1HG GLN 40 4.440 10.325 7.587 295 HG3 GLN 40 2HG GLN 40 6.017 9.819 8.191 296 HE21 GLN 40 1HE2 GLN 40 7.162 11.256 9.280 297 HE22 GLN 40 2HE2 GLN 40 6.893 12.962 9.295 298 H ASP 41 H ASP 41 3.909 8.327 7.301 299 HA ASP 41 HA ASP 41 5.536 6.970 9.201 300 HB2 ASP 41 1HB ASP 41 3.246 8.214 9.500 301 HB3 ASP 41 2HB ASP 41 2.560 6.640 9.110 302 H LEU 42 H LEU 42 3.403 5.936 6.599 303 HA LEU 42 HA LEU 42 3.321 3.195 7.240 304 HB2 LEU 42 1HB LEU 42 2.785 4.838 4.828 305 HB3 LEU 42 2HB LEU 42 3.008 3.104 4.601 306 HG LEU 42 HG LEU 42 0.952 4.345 6.427 307 HD11 LEU 42 1HD1 LEU 42 0.194 4.918 4.313 308 HD12 LEU 42 2HD1 LEU 42 -0.595 3.369 4.608 309 HD13 LEU 42 3HD1 LEU 42 0.832 3.448 3.575 310 HD21 LEU 42 1HD2 LEU 42 0.548 2.292 7.175 311 HD22 LEU 42 2HD2 LEU 42 2.014 1.762 6.350 312 HD23 LEU 42 3HD2 LEU 42 0.453 1.654 5.533 313 H GLU 43 H GLU 43 5.384 4.978 4.947 314 HA GLU 43 HA GLU 43 6.910 2.838 4.047 315 HB2 GLU 43 1HB GLU 43 7.445 5.777 4.306 316 HB3 GLU 43 2HB GLU 43 8.723 4.695 3.775 317 HG2 GLU 43 1HG GLU 43 7.095 3.883 2.005 318 HG3 GLU 43 2HG GLU 43 6.105 5.277 2.436 319 H LEU 44 H LEU 44 7.111 4.659 7.018 320 HA LEU 44 HA LEU 44 9.683 3.600 7.766 321 HB2 LEU 44 1HB LEU 44 7.608 5.261 9.154 322 HB3 LEU 44 2HB LEU 44 8.990 4.607 10.030 323 HG LEU 44 HG LEU 44 9.268 6.382 7.612 324 HD11 LEU 44 1HD1 LEU 44 9.055 7.095 10.523 325 HD12 LEU 44 2HD1 LEU 44 8.126 7.733 9.167 326 HD13 LEU 44 3HD1 LEU 44 9.833 8.144 9.337 327 HD21 LEU 44 1HD2 LEU 44 11.165 5.537 9.798 328 HD22 LEU 44 2HD2 LEU 44 11.526 6.737 8.557 329 HD23 LEU 44 3HD2 LEU 44 11.225 5.059 8.101 330 H LYS 45 H LYS 45 6.463 3.326 9.283 331 HA LYS 45 HA LYS 45 6.974 1.302 11.051 332 HB2 LYS 45 1HB LYS 45 4.832 2.507 10.917 333 HB3 LYS 45 2HB LYS 45 4.450 1.662 9.423 334 HG2 LYS 45 1HG LYS 45 4.330 -0.439 10.574 335 HG3 LYS 45 2HG LYS 45 4.896 0.304 12.072 336 HD2 LYS 45 1HD LYS 45 2.618 0.229 12.426 337 HD3 LYS 45 2HD LYS 45 2.815 1.850 11.755 338 HE2 LYS 45 1HE LYS 45 1.076 1.107 10.475 339 HE3 LYS 45 2HE LYS 45 2.428 0.577 9.477 340 HZ1 LYS 45 1HZ LYS 45 2.209 -1.578 10.868 341 HZ2 LYS 45 2HZ LYS 45 1.142 -1.304 9.586 342 HZ3 LYS 45 3HZ LYS 45 0.642 -1.023 11.177 343 H THR 46 H THR 46 6.296 1.022 7.603 344 HA THR 46 HA THR 46 6.518 -1.888 7.744 345 HB THR 46 HB THR 46 5.738 -1.958 5.487 346 HG1 THR 46 HG1 THR 46 6.322 0.818 5.503 347 HG21 THR 46 1HG2 THR 46 4.272 0.134 7.094 348 HG22 THR 46 2HG2 THR 46 3.957 -1.601 7.048 349 HG23 THR 46 3HG2 THR 46 3.632 -0.607 5.628 350 H ALA 47 H ALA 47 8.386 0.878 6.962 351 HA ALA 47 HA ALA 47 10.528 1.154 6.241 352 HB1 ALA 47 1HB ALA 47 11.843 -1.192 6.265 353 HB2 ALA 47 2HB ALA 47 11.547 -0.224 7.709 354 HB3 ALA 47 3HB ALA 47 10.494 -1.586 7.331 355 H THR 48 H THR 48 8.698 0.999 4.240 356 HA THR 48 HA THR 48 10.126 -0.519 2.156 357 HB THR 48 HB THR 48 8.020 -0.794 0.947 358 HG1 THR 48 HG1 THR 48 7.132 1.166 2.249 359 HG21 THR 48 1HG2 THR 48 8.769 -2.472 2.671 360 HG22 THR 48 2HG2 THR 48 7.041 -2.483 2.318 361 HG23 THR 48 3HG2 THR 48 7.634 -1.718 3.791 362 H LYS 49 H LYS 49 9.403 0.404 -0.106 363 HA LYS 49 HA LYS 49 9.723 3.329 0.042 364 HB2 LYS 49 1HB LYS 49 11.618 2.016 -0.956 365 HB3 LYS 49 2HB LYS 49 10.524 1.516 -2.238 366 HG2 LYS 49 1HG LYS 49 11.706 3.303 -3.149 367 HG3 LYS 49 2HG LYS 49 10.163 4.009 -2.661 368 HD2 LYS 49 1HD LYS 49 11.788 5.537 -1.925 369 HD3 LYS 49 2HD LYS 49 11.328 4.633 -0.480 370 HE2 LYS 49 1HE LYS 49 13.299 3.207 -0.751 371 HE3 LYS 49 2HE LYS 49 13.754 4.107 -2.197 372 HZ1 LYS 49 1HZ LYS 49 14.013 4.841 0.600 373 HZ2 LYS 49 2HZ LYS 49 13.536 6.086 -0.441 374 HZ3 LYS 49 3HZ LYS 49 14.982 5.255 -0.723 375 H ILE 50 H ILE 50 7.463 3.694 0.125 376 HA ILE 50 HA ILE 50 5.741 2.718 -1.957 377 HB ILE 50 HB ILE 50 5.240 4.889 0.081 378 HG12 ILE 50 1HG1 ILE 50 4.267 2.036 0.157 379 HG13 ILE 50 2HG1 ILE 50 5.765 2.539 0.931 380 HG21 ILE 50 1HG2 ILE 50 3.101 5.045 -0.638 381 HG22 ILE 50 2HG2 ILE 50 3.820 4.524 -2.159 382 HG23 ILE 50 3HG2 ILE 50 3.022 3.349 -1.114 383 HD11 ILE 50 1HD1 ILE 50 2.951 3.254 1.624 384 HD12 ILE 50 2HD1 ILE 50 4.232 2.610 2.653 385 HD13 ILE 50 3HD1 ILE 50 4.291 4.289 2.117 386 H GLN 51 H GLN 51 5.278 3.636 -3.855 387 HA GLN 51 HA GLN 51 6.091 6.431 -4.293 388 HB2 GLN 51 1HB GLN 51 7.513 4.472 -5.355 389 HB3 GLN 51 2HB GLN 51 6.215 4.469 -6.541 390 HG2 GLN 51 1HG GLN 51 6.637 6.949 -6.807 391 HG3 GLN 51 2HG GLN 51 8.110 6.697 -5.870 392 HE21 GLN 51 1HE2 GLN 51 9.848 6.455 -7.058 393 HE22 GLN 51 2HE2 GLN 51 9.925 5.756 -8.635 394 H ILE 52 H ILE 52 4.262 7.543 -4.506 395 HA ILE 52 HA ILE 52 1.972 6.316 -5.854 396 HB ILE 52 HB ILE 52 2.149 8.889 -4.283 397 HG12 ILE 52 1HG1 ILE 52 0.760 6.311 -3.540 398 HG13 ILE 52 2HG1 ILE 52 2.391 6.710 -3.014 399 HG21 ILE 52 1HG2 ILE 52 -0.034 9.319 -4.735 400 HG22 ILE 52 2HG2 ILE 52 0.375 8.464 -6.222 401 HG23 ILE 52 3HG2 ILE 52 -0.449 7.615 -4.913 402 HD11 ILE 52 1HD1 ILE 52 -0.185 8.050 -2.285 403 HD12 ILE 52 2HD1 ILE 52 1.012 7.300 -1.228 404 HD13 ILE 52 3HD1 ILE 52 1.378 8.826 -2.033 405 HA PRO 53 HA PRO 53 2.801 8.564 -9.569 406 HB2 PRO 53 1HB PRO 53 0.380 8.211 -10.746 407 HB3 PRO 53 2HB PRO 53 1.592 6.929 -10.636 408 HG2 PRO 53 1HG PRO 53 -0.818 7.411 -8.926 409 HG3 PRO 53 2HG PRO 53 -0.201 5.884 -9.585 410 HD2 PRO 53 1HD PRO 53 0.228 6.643 -7.022 411 HD3 PRO 53 2HD PRO 53 1.399 5.674 -7.941 412 H ARG 54 H ARG 54 2.290 10.532 -10.556 413 HA ARG 54 HA ARG 54 1.290 12.557 -8.896 414 HB2 ARG 54 1HB ARG 54 1.892 12.427 -11.840 415 HB3 ARG 54 2HB ARG 54 1.229 13.882 -11.110 416 HG2 ARG 54 1HG ARG 54 3.504 14.282 -11.096 417 HG3 ARG 54 2HG ARG 54 3.203 13.686 -9.463 418 HD2 ARG 54 1HD ARG 54 3.912 11.442 -10.173 419 HD3 ARG 54 2HD ARG 54 4.253 12.072 -11.784 420 HE ARG 54 HE ARG 54 5.638 13.398 -9.618 421 HH11 ARG 54 1HH1 ARG 54 5.721 10.889 -12.029 422 HH12 ARG 54 2HH1 ARG 54 7.450 10.784 -12.049 423 HH21 ARG 54 1HH2 ARG 54 7.915 13.269 -9.633 424 HH22 ARG 54 2HH2 ARG 54 8.697 12.138 -10.685 425 HA PRO 55 HA PRO 55 -3.060 12.547 -9.469 426 HB2 PRO 55 1HB PRO 55 -3.625 15.202 -9.463 427 HB3 PRO 55 2HB PRO 55 -3.147 14.318 -8.010 428 HG2 PRO 55 1HG PRO 55 -1.490 16.049 -9.805 429 HG3 PRO 55 2HG PRO 55 -1.514 15.974 -8.033 430 HD2 PRO 55 1HD PRO 55 0.394 14.753 -9.518 431 HD3 PRO 55 2HD PRO 55 -0.176 14.098 -7.970 432 H ASP 56 H ASP 56 -0.987 13.620 -11.854 433 HA ASP 56 HA ASP 56 -3.209 14.083 -13.734 434 HB2 ASP 56 1HB ASP 56 -2.013 16.077 -13.793 435 HB3 ASP 56 2HB ASP 56 -0.463 15.272 -13.564 436 H ASP 57 H ASP 57 -0.910 11.889 -12.796 437 HA ASP 57 HA ASP 57 -0.293 10.869 -15.443 438 HB2 ASP 57 1HB ASP 57 1.196 10.861 -13.248 439 HB3 ASP 57 2HB ASP 57 0.352 9.343 -12.960 440 HA PRO 58 HA PRO 58 -3.713 8.103 -15.665 441 HB2 PRO 58 1HB PRO 58 -2.704 6.345 -17.471 442 HB3 PRO 58 2HB PRO 58 -3.255 7.964 -17.912 443 HG2 PRO 58 1HG PRO 58 -0.471 6.981 -17.418 444 HG3 PRO 58 2HG PRO 58 -1.068 8.053 -18.699 445 HD2 PRO 58 1HD PRO 58 0.203 8.982 -16.497 446 HD3 PRO 58 2HD PRO 58 -1.070 9.902 -17.324 447 H SER 59 H SER 59 -0.889 7.445 -14.108 448 HA SER 59 HA SER 59 -1.370 4.596 -13.721 449 HB2 SER 59 1HB SER 59 0.830 6.460 -12.831 450 HB3 SER 59 2HB SER 59 0.705 4.801 -12.244 451 HG SER 59 HG SER 59 1.510 4.146 -14.063 452 H ASN 60 H ASN 60 -2.645 3.883 -12.157 453 HA ASN 60 HA ASN 60 -3.035 5.576 -9.776 454 HB2 ASN 60 1HB ASN 60 -5.288 4.711 -9.594 455 HB3 ASN 60 2HB ASN 60 -5.055 5.350 -11.219 456 HD21 ASN 60 1HD2 ASN 60 -6.534 2.999 -9.669 457 HD22 ASN 60 2HD2 ASN 60 -6.444 1.721 -10.828 458 H GLN 61 H GLN 61 -1.392 2.994 -10.713 459 HA GLN 61 HA GLN 61 -2.047 1.303 -8.413 460 HB2 GLN 61 1HB GLN 61 -0.596 -0.370 -9.472 461 HB3 GLN 61 2HB GLN 61 -1.860 0.172 -10.568 462 HG2 GLN 61 1HG GLN 61 0.020 1.863 -11.328 463 HG3 GLN 61 2HG GLN 61 1.071 0.601 -10.687 464 HE21 GLN 61 1HE2 GLN 61 0.147 -1.687 -11.386 465 HE22 GLN 61 2HE2 GLN 61 -0.113 -1.835 -13.088 466 H ILE 62 H ILE 62 -0.946 1.549 -6.596 467 HA ILE 62 HA ILE 62 1.437 3.143 -6.484 468 HB ILE 62 HB ILE 62 -0.139 1.637 -4.415 469 HG12 ILE 62 1HG1 ILE 62 0.563 4.565 -4.494 470 HG13 ILE 62 2HG1 ILE 62 -0.812 3.925 -5.386 471 HG21 ILE 62 1HG2 ILE 62 1.425 2.651 -2.733 472 HG22 ILE 62 2HG2 ILE 62 2.109 1.343 -3.697 473 HG23 ILE 62 3HG2 ILE 62 2.514 3.018 -4.071 474 HD11 ILE 62 1HD1 ILE 62 -1.210 2.887 -2.894 475 HD12 ILE 62 2HD1 ILE 62 -0.510 4.468 -2.542 476 HD13 ILE 62 3HD1 ILE 62 -1.965 4.348 -3.532 477 H LYS 63 H LYS 63 3.493 2.473 -5.732 478 HA LYS 63 HA LYS 63 4.051 -0.381 -6.206 479 HB2 LYS 63 1HB LYS 63 5.014 1.361 -7.818 480 HB3 LYS 63 2HB LYS 63 6.060 1.846 -6.490 481 HG2 LYS 63 1HG LYS 63 6.917 -0.475 -6.379 482 HG3 LYS 63 2HG LYS 63 5.949 -0.860 -7.803 483 HD2 LYS 63 1HD LYS 63 8.020 -0.386 -8.725 484 HD3 LYS 63 2HD LYS 63 7.178 1.159 -8.874 485 HE2 LYS 63 1HE LYS 63 8.235 1.780 -6.652 486 HE3 LYS 63 2HE LYS 63 9.255 0.356 -6.850 487 HZ1 LYS 63 1HZ LYS 63 9.085 2.616 -8.768 488 HZ2 LYS 63 2HZ LYS 63 10.096 1.267 -8.909 489 HZ3 LYS 63 3HZ LYS 63 10.334 2.375 -7.653 490 H ILE 64 H ILE 64 4.927 -1.524 -4.600 491 HA ILE 64 HA ILE 64 6.080 -0.057 -2.317 492 HB ILE 64 HB ILE 64 5.278 -2.308 -1.107 493 HG12 ILE 64 1HG1 ILE 64 3.134 -1.787 -3.177 494 HG13 ILE 64 2HG1 ILE 64 4.242 -3.155 -3.213 495 HG21 ILE 64 1HG2 ILE 64 4.790 0.152 -0.624 496 HG22 ILE 64 2HG2 ILE 64 3.306 -0.089 -1.544 497 HG23 ILE 64 3HG2 ILE 64 3.601 -1.032 -0.083 498 HD11 ILE 64 1HD1 ILE 64 2.822 -4.293 -1.968 499 HD12 ILE 64 2HD1 ILE 64 3.052 -3.129 -0.662 500 HD13 ILE 64 3HD1 ILE 64 1.765 -2.887 -1.844 501 H THR 65 H THR 65 8.172 -0.458 -2.120 502 HA THR 65 HA THR 65 9.177 -3.123 -2.879 503 HB THR 65 HB THR 65 10.687 -0.504 -2.980 504 HG1 THR 65 HG1 THR 65 10.611 -1.132 -5.328 505 HG21 THR 65 1HG2 THR 65 12.571 -1.655 -3.441 506 HG22 THR 65 2HG2 THR 65 11.715 -2.867 -4.395 507 HG23 THR 65 3HG2 THR 65 11.744 -2.988 -2.636 508 H GLY 66 H GLY 66 10.485 -4.204 -1.473 509 HA2 GLY 66 1HA GLY 66 12.090 -3.333 0.526 510 HA3 GLY 66 2HA GLY 66 10.495 -3.275 1.261 511 H THR 67 H THR 67 11.202 -4.857 2.778 512 HA THR 67 HA THR 67 12.031 -7.458 1.893 513 HB THR 67 HB THR 67 11.718 -8.092 4.307 514 HG1 THR 67 HG1 THR 67 11.183 -5.312 4.637 515 HG21 THR 67 1HG2 THR 67 13.802 -7.364 4.710 516 HG22 THR 67 2HG2 THR 67 13.337 -5.671 4.541 517 HG23 THR 67 3HG2 THR 67 13.713 -6.630 3.109 518 H LYS 68 H LYS 68 10.855 -9.312 1.728 519 HA LYS 68 HA LYS 68 8.328 -9.417 0.852 520 HB2 LYS 68 1HB LYS 68 10.005 -11.338 1.229 521 HB3 LYS 68 2HB LYS 68 9.252 -11.508 2.809 522 HG2 LYS 68 1HG LYS 68 7.520 -11.479 0.389 523 HG3 LYS 68 2HG LYS 68 8.446 -12.933 0.769 524 HD2 LYS 68 1HD LYS 68 7.431 -12.509 3.176 525 HD3 LYS 68 2HD LYS 68 6.192 -11.669 2.242 526 HE2 LYS 68 1HE LYS 68 5.980 -13.738 0.842 527 HE3 LYS 68 2HE LYS 68 7.051 -14.547 1.987 528 HZ1 LYS 68 1HZ LYS 68 5.133 -15.072 2.992 529 HZ2 LYS 68 2HZ LYS 68 4.263 -13.818 2.263 530 HZ3 LYS 68 3HZ LYS 68 5.215 -13.505 3.626 531 H GLU 69 H GLU 69 9.275 -8.996 4.186 532 HA GLU 69 HA GLU 69 6.590 -9.352 5.197 533 HB2 GLU 69 1HB GLU 69 9.095 -8.350 6.560 534 HB3 GLU 69 2HB GLU 69 7.575 -8.703 7.368 535 HG2 GLU 69 1HG GLU 69 9.085 -10.765 5.795 536 HG3 GLU 69 2HG GLU 69 9.372 -10.469 7.510 537 H GLY 70 H GLY 70 8.859 -6.651 4.761 538 HA2 GLY 70 1HA GLY 70 7.271 -4.612 5.806 539 HA3 GLY 70 2HA GLY 70 8.499 -4.393 4.569 540 H ILE 71 H ILE 71 7.673 -5.378 2.344 541 HA ILE 71 HA ILE 71 5.773 -3.676 1.325 542 HB ILE 71 HB ILE 71 6.372 -6.459 0.315 543 HG12 ILE 71 1HG1 ILE 71 7.611 -3.828 -0.511 544 HG13 ILE 71 2HG1 ILE 71 8.361 -4.955 0.616 545 HG21 ILE 71 1HG2 ILE 71 4.694 -4.276 -0.678 546 HG22 ILE 71 2HG2 ILE 71 5.827 -4.919 -1.866 547 HG23 ILE 71 3HG2 ILE 71 4.675 -5.994 -1.075 548 HD11 ILE 71 1HD1 ILE 71 9.171 -6.173 -1.043 549 HD12 ILE 71 2HD1 ILE 71 7.590 -6.287 -1.818 550 HD13 ILE 71 3HD1 ILE 71 8.636 -4.904 -2.144 551 H GLU 72 H GLU 72 5.292 -6.946 2.598 552 HA GLU 72 HA GLU 72 2.618 -7.295 1.935 553 HB2 GLU 72 1HB GLU 72 4.390 -8.360 4.083 554 HB3 GLU 72 2HB GLU 72 2.660 -8.643 4.218 555 HG2 GLU 72 1HG GLU 72 2.693 -9.663 1.967 556 HG3 GLU 72 2HG GLU 72 4.445 -9.466 1.940 557 H LYS 73 H LYS 73 3.975 -5.970 4.950 558 HA LYS 73 HA LYS 73 1.635 -5.402 6.288 559 HB2 LYS 73 1HB LYS 73 4.337 -4.105 6.268 560 HB3 LYS 73 2HB LYS 73 3.033 -3.388 7.207 561 HG2 LYS 73 1HG LYS 73 2.946 -5.144 8.686 562 HG3 LYS 73 2HG LYS 73 3.640 -6.288 7.534 563 HD2 LYS 73 1HD LYS 73 5.818 -5.275 7.776 564 HD3 LYS 73 2HD LYS 73 5.151 -4.008 8.810 565 HE2 LYS 73 1HE LYS 73 6.258 -5.681 10.163 566 HE3 LYS 73 2HE LYS 73 4.520 -5.723 10.460 567 HZ1 LYS 73 1HZ LYS 73 6.103 -7.614 8.810 568 HZ2 LYS 73 2HZ LYS 73 4.412 -7.597 8.852 569 HZ3 LYS 73 3HZ LYS 73 5.289 -7.948 10.256 570 H ALA 74 H ALA 74 3.436 -3.175 4.161 571 HA ALA 74 HA ALA 74 1.534 -1.106 4.229 572 HB1 ALA 74 1HB ALA 74 3.985 -1.686 2.814 573 HB2 ALA 74 2HB ALA 74 2.808 -0.893 1.768 574 HB3 ALA 74 3HB ALA 74 3.295 -0.132 3.283 575 H ARG 75 H ARG 75 1.882 -3.920 2.142 576 HA ARG 75 HA ARG 75 -0.055 -3.155 0.223 577 HB2 ARG 75 1HB ARG 75 1.778 -5.069 0.232 578 HB3 ARG 75 2HB ARG 75 0.438 -6.034 0.835 579 HG2 ARG 75 1HG ARG 75 -0.842 -5.630 -1.127 580 HG3 ARG 75 2HG ARG 75 0.302 -4.411 -1.693 581 HD2 ARG 75 1HD ARG 75 0.996 -6.188 -2.943 582 HD3 ARG 75 2HD ARG 75 1.994 -6.434 -1.510 583 HE ARG 75 HE ARG 75 0.772 -8.320 -1.010 584 HH11 ARG 75 1HH1 ARG 75 -0.792 -6.536 -3.557 585 HH12 ARG 75 2HH1 ARG 75 -1.916 -7.800 -3.931 586 HH21 ARG 75 1HH2 ARG 75 -0.702 -9.993 -1.491 587 HH22 ARG 75 2HH2 ARG 75 -1.864 -9.766 -2.754 588 H HIS 76 H HIS 76 -0.233 -4.796 3.311 589 HA HIS 76 HA HIS 76 -2.933 -5.687 3.002 590 HB2 HIS 76 1HB HIS 76 -1.193 -6.668 4.575 591 HB3 HIS 76 2HB HIS 76 -1.472 -5.272 5.610 592 HD1 HIS 76 HD1 HIS 76 -3.758 -7.802 3.897 593 HD2 HIS 76 HD2 HIS 76 -3.194 -5.939 7.568 594 HE1 HIS 76 HE1 HIS 76 -5.562 -8.709 5.396 595 H GLU 77 H GLU 77 -1.378 -2.914 4.553 596 HA GLU 77 HA GLU 77 -3.743 -1.844 5.689 597 HB2 GLU 77 1HB GLU 77 -1.076 -0.609 5.008 598 HB3 GLU 77 2HB GLU 77 -2.369 0.291 5.787 599 HG2 GLU 77 1HG GLU 77 -1.139 -2.221 6.894 600 HG3 GLU 77 2HG GLU 77 -0.668 -0.585 7.354 601 H VAL 78 H VAL 78 -1.921 -0.971 2.755 602 HA VAL 78 HA VAL 78 -3.597 1.056 1.845 603 HB VAL 78 HB VAL 78 -1.315 0.338 0.926 604 HG11 VAL 78 1HG1 VAL 78 -2.853 -1.261 -1.068 605 HG12 VAL 78 2HG1 VAL 78 -1.141 -1.332 -0.645 606 HG13 VAL 78 3HG1 VAL 78 -2.349 -2.021 0.441 607 HG21 VAL 78 1HG2 VAL 78 -2.462 2.185 -0.042 608 HG22 VAL 78 2HG2 VAL 78 -1.908 1.168 -1.371 609 HG23 VAL 78 3HG2 VAL 78 -3.600 1.125 -0.873 610 H LEU 79 H LEU 79 -3.874 -2.429 1.541 611 HA LEU 79 HA LEU 79 -6.038 -2.334 -0.342 612 HB2 LEU 79 1HB LEU 79 -4.709 -4.473 1.265 613 HB3 LEU 79 2HB LEU 79 -6.253 -4.800 0.480 614 HG LEU 79 HG LEU 79 -3.857 -3.803 -1.041 615 HD11 LEU 79 1HD1 LEU 79 -2.863 -5.768 -0.798 616 HD12 LEU 79 2HD1 LEU 79 -4.260 -6.542 -1.545 617 HD13 LEU 79 3HD1 LEU 79 -4.189 -6.353 0.206 618 HD21 LEU 79 1HD2 LEU 79 -6.228 -3.674 -1.962 619 HD22 LEU 79 2HD2 LEU 79 -6.183 -5.436 -2.015 620 HD23 LEU 79 3HD2 LEU 79 -5.026 -4.495 -2.956 621 H LEU 80 H LEU 80 -5.733 -2.815 3.149 622 HA LEU 80 HA LEU 80 -8.410 -3.418 3.700 623 HB2 LEU 80 1HB LEU 80 -6.112 -2.365 5.256 624 HB3 LEU 80 2HB LEU 80 -7.718 -2.208 5.963 625 HG LEU 80 HG LEU 80 -6.458 -4.809 5.098 626 HD11 LEU 80 1HD1 LEU 80 -6.825 -4.838 7.839 627 HD12 LEU 80 2HD1 LEU 80 -6.174 -3.233 7.512 628 HD13 LEU 80 3HD1 LEU 80 -5.291 -4.666 6.986 629 HD21 LEU 80 1HD2 LEU 80 -8.675 -4.838 6.996 630 HD22 LEU 80 2HD2 LEU 80 -8.396 -5.822 5.559 631 HD23 LEU 80 3HD2 LEU 80 -9.116 -4.218 5.404 632 H ILE 81 H ILE 81 -6.725 -0.306 3.546 633 HA ILE 81 HA ILE 81 -8.927 1.277 4.347 634 HB ILE 81 HB ILE 81 -6.608 2.112 2.600 635 HG12 ILE 81 1HG1 ILE 81 -6.771 2.512 5.574 636 HG13 ILE 81 2HG1 ILE 81 -6.136 1.012 4.909 637 HG21 ILE 81 1HG2 ILE 81 -8.695 3.590 2.817 638 HG22 ILE 81 2HG2 ILE 81 -8.164 3.858 4.476 639 HG23 ILE 81 3HG2 ILE 81 -7.124 4.326 3.132 640 HD11 ILE 81 1HD1 ILE 81 -4.577 2.542 3.546 641 HD12 ILE 81 2HD1 ILE 81 -5.021 3.775 4.727 642 HD13 ILE 81 3HD1 ILE 81 -4.242 2.285 5.259 643 H SER 82 H SER 82 -7.554 0.685 1.107 644 HA SER 82 HA SER 82 -9.427 2.083 -0.379 645 HB2 SER 82 1HB SER 82 -7.618 1.371 -1.641 646 HB3 SER 82 2HB SER 82 -7.652 -0.257 -0.962 647 HG SER 82 HG SER 82 -8.484 -0.514 -2.948 648 H ALA 83 H ALA 83 -9.495 -1.328 0.613 649 HA ALA 83 HA ALA 83 -11.850 -2.093 -0.649 650 HB1 ALA 83 1HB ALA 83 -10.238 -3.085 1.595 651 HB2 ALA 83 2HB ALA 83 -11.934 -3.573 1.623 652 HB3 ALA 83 3HB ALA 83 -10.932 -3.948 0.221 653 H GLU 84 H GLU 84 -11.404 -0.706 2.595 654 HA GLU 84 HA GLU 84 -14.011 -0.800 3.499 655 HB2 GLU 84 1HB GLU 84 -11.694 0.996 4.031 656 HB3 GLU 84 2HB GLU 84 -13.271 1.491 4.629 657 HG2 GLU 84 1HG GLU 84 -12.068 -1.199 5.208 658 HG3 GLU 84 2HG GLU 84 -11.834 0.210 6.240 659 H GLN 85 H GLN 85 -12.478 1.616 1.421 660 HA GLN 85 HA GLN 85 -14.680 3.387 1.321 661 HB2 GLN 85 1HB GLN 85 -12.567 3.023 -0.804 662 HB3 GLN 85 2HB GLN 85 -13.536 4.458 -0.500 663 HG2 GLN 85 1HG GLN 85 -11.442 3.311 1.333 664 HG3 GLN 85 2HG GLN 85 -11.271 4.741 0.316 665 HE21 GLN 85 1HE2 GLN 85 -10.849 4.793 3.053 666 HE22 GLN 85 2HE2 GLN 85 -12.077 5.757 3.792 667 H ASP 86 H ASP 86 -13.652 0.714 -0.760 668 HA ASP 86 HA ASP 86 -15.378 0.954 -2.870 669 HB2 ASP 86 1HB ASP 86 -13.943 -0.828 -3.124 670 HB3 ASP 86 2HB ASP 86 -14.171 -1.386 -1.469 671 H LYS 87 H LYS 87 -16.097 -0.127 0.385 672 HA LYS 87 HA LYS 87 -18.676 -1.170 -0.143 673 HB2 LYS 87 1HB LYS 87 -17.299 -1.610 1.914 674 HB3 LYS 87 2HB LYS 87 -17.686 0.019 2.453 675 HG2 LYS 87 1HG LYS 87 -20.124 -0.653 2.259 676 HG3 LYS 87 2HG LYS 87 -19.543 -2.312 2.092 677 HD2 LYS 87 1HD LYS 87 -18.723 -0.550 4.387 678 HD3 LYS 87 2HD LYS 87 -20.189 -1.534 4.434 679 HE2 LYS 87 1HE LYS 87 -18.961 -3.543 4.263 680 HE3 LYS 87 2HE LYS 87 -17.490 -2.694 3.795 681 HZ1 LYS 87 1HZ LYS 87 -17.903 -3.541 6.247 682 HZ2 LYS 87 2HZ LYS 87 -18.646 -2.029 6.391 683 HZ3 LYS 87 3HZ LYS 87 -17.024 -2.132 5.924 684 H ARG 88 H ARG 88 -17.851 1.835 1.597 685 HA ARG 88 HA ARG 88 -20.402 2.953 1.483 686 HB2 ARG 88 1HB ARG 88 -19.235 5.128 1.905 687 HB3 ARG 88 2HB ARG 88 -18.786 3.839 3.013 688 HG2 ARG 88 1HG ARG 88 -16.741 4.741 2.532 689 HG3 ARG 88 2HG ARG 88 -16.833 3.462 1.321 690 HD2 ARG 88 1HD ARG 88 -16.042 5.659 0.442 691 HD3 ARG 88 2HD ARG 88 -17.466 5.019 -0.376 692 HE ARG 88 HE ARG 88 -18.071 6.832 1.773 693 HH11 ARG 88 1HH1 ARG 88 -17.307 6.546 -1.611 694 HH12 ARG 88 2HH1 ARG 88 -18.047 8.053 -2.039 695 HH21 ARG 88 1HH2 ARG 88 -19.050 8.818 1.222 696 HH22 ARG 88 2HH2 ARG 88 -19.037 9.344 -0.426 697 H SER 89 H SER 89 -20.965 5.010 0.310 698 HA SER 89 HA SER 89 -19.857 5.099 -2.405 699 HB2 SER 89 1HB SER 89 -21.910 3.700 -2.441 700 HB3 SER 89 2HB SER 89 -22.822 5.063 -1.792 701 HG SER 89 HG SER 89 -22.711 6.061 -3.677 702 H GLY 90 H GLY 90 -20.285 7.091 -3.544 703 HA2 GLY 90 1HA GLY 90 -21.049 9.320 -1.765 704 HA3 GLY 90 2HA GLY 90 -19.599 9.404 -2.754 705 HA PRO 91 HA PRO 91 -22.957 11.448 -5.150 706 HB2 PRO 91 1HB PRO 91 -21.368 13.435 -6.098 707 HB3 PRO 91 2HB PRO 91 -22.175 13.516 -4.528 708 HG2 PRO 91 1HG PRO 91 -19.344 12.784 -5.164 709 HG3 PRO 91 2HG PRO 91 -19.967 13.814 -3.863 710 HD2 PRO 91 1HD PRO 91 -19.230 11.240 -3.457 711 HD3 PRO 91 2HD PRO 91 -20.540 12.014 -2.542 712 H SER 92 H SER 92 -23.097 11.837 -7.471 713 HA SER 92 HA SER 92 -21.748 9.800 -8.962 714 HB2 SER 92 1HB SER 92 -24.123 10.485 -9.361 715 HB3 SER 92 2HB SER 92 -23.528 12.013 -10.011 716 HG SER 92 HG SER 92 -23.314 9.419 -11.067 717 H SER 93 H SER 93 -20.708 10.276 -11.089 718 HA SER 93 HA SER 93 -18.468 11.945 -10.723 719 HB2 SER 93 1HB SER 93 -17.976 11.432 -13.112 720 HB3 SER 93 2HB SER 93 -18.340 9.993 -12.160 721 HG SER 93 HG SER 93 -19.612 9.715 -13.866 722 H GLY 94 H GLY 94 -18.354 14.081 -10.850 723 HA2 GLY 94 1HA GLY 94 -19.092 15.647 -12.995 724 HA3 GLY 94 2HA GLY 94 -20.480 15.659 -11.916 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -2.313 -30.465 23.437 2 HA2 GLY 1 1HA GLY 1 -3.759 -28.064 23.526 3 HA3 GLY 1 2HA GLY 1 -2.021 -28.210 23.747 4 H SER 2 H SER 2 -0.947 -28.824 21.462 5 HA SER 2 HA SER 2 -0.134 -27.630 19.655 6 HB2 SER 2 1HB SER 2 -2.828 -28.732 19.026 7 HB3 SER 2 2HB SER 2 -2.092 -27.658 17.837 8 HG SER 2 HG SER 2 -1.576 -29.914 17.557 9 H SER 3 H SER 3 -0.665 -25.738 21.462 10 HA SER 3 HA SER 3 -2.383 -23.733 20.201 11 HB2 SER 3 1HB SER 3 -1.019 -23.793 22.901 12 HB3 SER 3 2HB SER 3 -1.984 -22.441 22.309 13 HG SER 3 HG SER 3 -3.445 -23.607 23.377 14 H GLY 4 H GLY 4 -1.532 -22.287 18.869 15 HA2 GLY 4 1HA GLY 4 -0.037 -20.862 17.866 16 HA3 GLY 4 2HA GLY 4 0.766 -20.766 19.427 17 H SER 5 H SER 5 2.727 -20.612 18.124 18 HA SER 5 HA SER 5 3.870 -23.253 17.709 19 HB2 SER 5 1HB SER 5 4.719 -22.743 15.478 20 HB3 SER 5 2HB SER 5 2.960 -22.623 15.491 21 HG SER 5 HG SER 5 3.610 -20.251 16.040 22 H SER 6 H SER 6 6.271 -23.048 17.192 23 HA SER 6 HA SER 6 7.495 -20.596 18.176 24 HB2 SER 6 1HB SER 6 8.886 -21.880 19.823 25 HB3 SER 6 2HB SER 6 7.174 -21.801 20.242 26 HG SER 6 HG SER 6 8.501 -23.943 20.191 27 H GLY 7 H GLY 7 9.546 -20.257 17.408 28 HA2 GLY 7 1HA GLY 7 11.628 -21.494 16.636 29 HA3 GLY 7 2HA GLY 7 10.535 -22.294 15.517 30 H ASP 8 H ASP 8 12.532 -19.605 16.053 31 HA ASP 8 HA ASP 8 11.351 -18.071 13.861 32 HB2 ASP 8 1HB ASP 8 13.611 -17.405 15.760 33 HB3 ASP 8 2HB ASP 8 13.001 -16.328 14.507 34 H ILE 9 H ILE 9 12.313 -17.776 11.912 35 HA ILE 9 HA ILE 9 14.684 -19.422 11.372 36 HB ILE 9 HB ILE 9 12.700 -18.261 9.412 37 HG12 ILE 9 1HG1 ILE 9 11.640 -19.971 10.767 38 HG13 ILE 9 2HG1 ILE 9 11.952 -20.620 9.161 39 HG21 ILE 9 1HG2 ILE 9 13.785 -19.583 7.741 40 HG22 ILE 9 2HG2 ILE 9 15.016 -18.621 8.558 41 HG23 ILE 9 3HG2 ILE 9 14.835 -20.333 8.942 42 HD11 ILE 9 1HD1 ILE 9 12.891 -22.351 10.169 43 HD12 ILE 9 2HD1 ILE 9 14.213 -21.275 10.622 44 HD13 ILE 9 3HD1 ILE 9 12.870 -21.537 11.733 45 H VAL 10 H VAL 10 16.575 -18.482 10.997 46 HA VAL 10 HA VAL 10 16.703 -15.589 10.714 47 HB VAL 10 HB VAL 10 19.144 -15.883 10.963 48 HG11 VAL 10 1HG1 VAL 10 17.585 -15.646 12.914 49 HG12 VAL 10 2HG1 VAL 10 17.657 -17.399 13.099 50 HG13 VAL 10 3HG1 VAL 10 19.121 -16.431 13.281 51 HG21 VAL 10 1HG2 VAL 10 20.085 -18.056 11.474 52 HG22 VAL 10 2HG2 VAL 10 18.499 -18.812 11.302 53 HG23 VAL 10 3HG2 VAL 10 19.295 -18.100 9.897 54 H ALA 11 H ALA 11 15.574 -16.644 8.481 55 HA ALA 11 HA ALA 11 17.209 -17.455 6.398 56 HB1 ALA 11 1HB ALA 11 15.334 -15.837 5.172 57 HB2 ALA 11 2HB ALA 11 15.154 -17.552 5.545 58 HB3 ALA 11 3HB ALA 11 14.548 -16.336 6.670 59 H ARG 12 H ARG 12 18.081 -16.292 4.584 60 HA ARG 12 HA ARG 12 18.998 -13.590 5.319 61 HB2 ARG 12 1HB ARG 12 20.353 -15.636 3.552 62 HB3 ARG 12 2HB ARG 12 20.973 -14.032 3.921 63 HG2 ARG 12 1HG ARG 12 20.454 -16.157 5.988 64 HG3 ARG 12 2HG ARG 12 22.020 -15.867 5.228 65 HD2 ARG 12 1HD ARG 12 20.531 -13.648 6.585 66 HD3 ARG 12 2HD ARG 12 21.517 -14.776 7.515 67 HE ARG 12 HE ARG 12 23.428 -13.863 6.568 68 HH11 ARG 12 1HH1 ARG 12 20.562 -12.513 5.126 69 HH12 ARG 12 2HH1 ARG 12 21.406 -11.216 4.346 70 HH21 ARG 12 1HH2 ARG 12 24.552 -12.161 5.546 71 HH22 ARG 12 2HH2 ARG 12 23.675 -11.018 4.585 72 H LEU 13 H LEU 13 18.531 -11.938 4.005 73 HA LEU 13 HA LEU 13 17.148 -12.546 1.488 74 HB2 LEU 13 1HB LEU 13 17.229 -9.966 3.045 75 HB3 LEU 13 2HB LEU 13 16.242 -10.298 1.624 76 HG LEU 13 HG LEU 13 15.309 -12.228 3.197 77 HD11 LEU 13 1HD1 LEU 13 17.019 -11.074 4.954 78 HD12 LEU 13 2HD1 LEU 13 15.572 -11.971 5.410 79 HD13 LEU 13 3HD1 LEU 13 15.524 -10.212 5.318 80 HD21 LEU 13 1HD2 LEU 13 13.503 -11.011 2.778 81 HD22 LEU 13 2HD2 LEU 13 14.501 -9.597 2.438 82 HD23 LEU 13 3HD2 LEU 13 13.954 -9.917 4.085 83 H GLN 14 H GLN 14 18.332 -12.416 -0.291 84 HA GLN 14 HA GLN 14 20.702 -10.706 -0.331 85 HB2 GLN 14 1HB GLN 14 21.098 -12.965 -1.041 86 HB3 GLN 14 2HB GLN 14 19.753 -12.901 -2.173 87 HG2 GLN 14 1HG GLN 14 20.984 -11.139 -3.429 88 HG3 GLN 14 2HG GLN 14 22.358 -11.410 -2.358 89 HE21 GLN 14 1HE2 GLN 14 22.869 -11.723 -4.915 90 HE22 GLN 14 2HE2 GLN 14 22.992 -13.389 -5.355 91 H THR 15 H THR 15 17.903 -11.430 -2.415 92 HA THR 15 HA THR 15 18.294 -8.858 -3.767 93 HB THR 15 HB THR 15 16.546 -9.727 -5.362 94 HG1 THR 15 HG1 THR 15 15.653 -11.617 -4.989 95 HG21 THR 15 1HG2 THR 15 18.077 -11.040 -6.596 96 HG22 THR 15 2HG2 THR 15 18.895 -11.596 -5.136 97 HG23 THR 15 3HG2 THR 15 19.066 -9.921 -5.658 98 H GLN 16 H GLN 16 16.161 -7.771 -4.438 99 HA GLN 16 HA GLN 16 14.332 -7.757 -2.128 100 HB2 GLN 16 1HB GLN 16 15.452 -5.483 -3.745 101 HB3 GLN 16 2HB GLN 16 13.963 -5.302 -2.825 102 HG2 GLN 16 1HG GLN 16 16.602 -6.139 -1.650 103 HG3 GLN 16 2HG GLN 16 15.976 -4.492 -1.642 104 HE21 GLN 16 1HE2 GLN 16 14.807 -3.893 0.040 105 HE22 GLN 16 2HE2 GLN 16 14.074 -4.951 1.192 106 H ALA 17 H ALA 17 12.126 -7.359 -2.533 107 HA ALA 17 HA ALA 17 11.321 -7.833 -5.329 108 HB1 ALA 17 1HB ALA 17 10.649 -9.743 -4.193 109 HB2 ALA 17 2HB ALA 17 10.189 -8.842 -2.748 110 HB3 ALA 17 3HB ALA 17 9.191 -8.751 -4.198 111 H SER 18 H SER 18 9.455 -6.773 -6.110 112 HA SER 18 HA SER 18 8.427 -4.568 -4.469 113 HB2 SER 18 1HB SER 18 8.508 -3.178 -6.659 114 HB3 SER 18 2HB SER 18 9.998 -3.378 -5.737 115 HG SER 18 HG SER 18 10.773 -4.716 -7.237 116 H ALA 19 H ALA 19 6.282 -4.481 -4.499 117 HA ALA 19 HA ALA 19 4.862 -5.762 -6.744 118 HB1 ALA 19 1HB ALA 19 3.035 -6.201 -5.065 119 HB2 ALA 19 2HB ALA 19 4.521 -7.125 -4.838 120 HB3 ALA 19 3HB ALA 19 4.185 -5.730 -3.813 121 H THR 20 H THR 20 2.470 -4.976 -6.768 122 HA THR 20 HA THR 20 2.296 -2.109 -6.183 123 HB THR 20 HB THR 20 1.108 -1.936 -8.503 124 HG1 THR 20 HG1 THR 20 1.675 -4.395 -8.669 125 HG21 THR 20 1HG2 THR 20 3.840 -1.592 -7.642 126 HG22 THR 20 2HG2 THR 20 2.876 -0.595 -8.732 127 HG23 THR 20 3HG2 THR 20 3.769 -1.979 -9.361 128 H VAL 21 H VAL 21 0.108 -1.273 -6.224 129 HA VAL 21 HA VAL 21 -1.977 -3.338 -6.023 130 HB VAL 21 HB VAL 21 -1.384 -2.832 -3.747 131 HG11 VAL 21 1HG1 VAL 21 -0.501 -0.470 -4.545 132 HG12 VAL 21 2HG1 VAL 21 -2.097 0.043 -3.995 133 HG13 VAL 21 3HG1 VAL 21 -0.993 -0.759 -2.877 134 HG21 VAL 21 1HG2 VAL 21 -3.586 -3.087 -3.466 135 HG22 VAL 21 2HG2 VAL 21 -3.650 -1.333 -3.308 136 HG23 VAL 21 3HG2 VAL 21 -3.967 -2.090 -4.869 137 H ALA 22 H ALA 22 -3.222 -2.880 -7.735 138 HA ALA 22 HA ALA 22 -3.578 -0.323 -8.862 139 HB1 ALA 22 1HB ALA 22 -5.011 -2.935 -9.157 140 HB2 ALA 22 2HB ALA 22 -5.617 -1.479 -9.948 141 HB3 ALA 22 3HB ALA 22 -4.000 -2.077 -10.320 142 H ILE 23 H ILE 23 -4.590 1.342 -7.968 143 HA ILE 23 HA ILE 23 -7.193 0.926 -6.714 144 HB ILE 23 HB ILE 23 -6.496 2.586 -4.892 145 HG12 ILE 23 1HG1 ILE 23 -3.750 1.562 -5.643 146 HG13 ILE 23 2HG1 ILE 23 -4.334 3.188 -5.981 147 HG21 ILE 23 1HG2 ILE 23 -6.325 -0.241 -5.075 148 HG22 ILE 23 2HG2 ILE 23 -5.006 0.324 -4.052 149 HG23 ILE 23 3HG2 ILE 23 -6.670 0.751 -3.659 150 HD11 ILE 23 1HD1 ILE 23 -3.849 3.875 -3.931 151 HD12 ILE 23 2HD1 ILE 23 -4.642 2.483 -3.193 152 HD13 ILE 23 3HD1 ILE 23 -2.969 2.360 -3.735 153 HA PRO 24 HA PRO 24 -8.298 4.626 -8.805 154 HB2 PRO 24 1HB PRO 24 -10.166 5.651 -7.125 155 HB3 PRO 24 2HB PRO 24 -10.456 4.226 -8.129 156 HG2 PRO 24 1HG PRO 24 -9.716 4.383 -5.231 157 HG3 PRO 24 2HG PRO 24 -10.910 3.340 -6.027 158 HD2 PRO 24 1HD PRO 24 -8.445 2.464 -5.327 159 HD3 PRO 24 2HD PRO 24 -9.309 1.847 -6.750 160 H LYS 25 H LYS 25 -7.782 6.773 -8.916 161 HA LYS 25 HA LYS 25 -5.786 7.804 -7.264 162 HB2 LYS 25 1HB LYS 25 -7.708 9.238 -9.103 163 HB3 LYS 25 2HB LYS 25 -6.301 9.992 -8.366 164 HG2 LYS 25 1HG LYS 25 -6.118 7.564 -10.126 165 HG3 LYS 25 2HG LYS 25 -6.024 9.215 -10.741 166 HD2 LYS 25 1HD LYS 25 -4.237 8.256 -8.527 167 HD3 LYS 25 2HD LYS 25 -3.825 8.000 -10.225 168 HE2 LYS 25 1HE LYS 25 -2.775 9.997 -9.865 169 HE3 LYS 25 2HE LYS 25 -4.356 10.580 -10.381 170 HZ1 LYS 25 1HZ LYS 25 -3.194 11.444 -8.195 171 HZ2 LYS 25 2HZ LYS 25 -3.966 10.095 -7.527 172 HZ3 LYS 25 3HZ LYS 25 -4.875 11.290 -8.306 173 H GLU 26 H GLU 26 -9.081 7.500 -6.652 174 HA GLU 26 HA GLU 26 -9.364 9.820 -4.966 175 HB2 GLU 26 1HB GLU 26 -11.431 9.270 -5.773 176 HB3 GLU 26 2HB GLU 26 -11.082 7.547 -5.798 177 HG2 GLU 26 1HG GLU 26 -12.769 7.930 -4.171 178 HG3 GLU 26 2HG GLU 26 -11.277 7.537 -3.319 179 H HIS 27 H HIS 27 -8.539 6.448 -4.579 180 HA HIS 27 HA HIS 27 -8.696 6.575 -1.685 181 HB2 HIS 27 1HB HIS 27 -7.787 4.383 -3.560 182 HB3 HIS 27 2HB HIS 27 -7.856 4.223 -1.807 183 HD1 HIS 27 HD1 HIS 27 -9.514 2.323 -3.473 184 HD2 HIS 27 HD2 HIS 27 -10.939 5.980 -2.110 185 HE1 HIS 27 HE1 HIS 27 -12.019 2.104 -3.456 186 H HIS 28 H HIS 28 -6.411 7.225 -4.116 187 HA HIS 28 HA HIS 28 -3.996 6.518 -2.925 188 HB2 HIS 28 1HB HIS 28 -4.814 8.619 -4.890 189 HB3 HIS 28 2HB HIS 28 -3.185 8.668 -4.222 190 HD2 HIS 28 HD2 HIS 28 -4.948 5.315 -5.280 191 HE1 HIS 28 HE1 HIS 28 -1.596 5.985 -7.793 192 HE2 HIS 28 HE2 HIS 28 -3.486 4.422 -7.218 193 H ARG 29 H ARG 29 -5.686 9.654 -2.760 194 HA ARG 29 HA ARG 29 -3.978 10.997 -1.073 195 HB2 ARG 29 1HB ARG 29 -5.782 12.456 -0.555 196 HB3 ARG 29 2HB ARG 29 -6.052 11.898 -2.201 197 HG2 ARG 29 1HG ARG 29 -7.643 10.213 -1.304 198 HG3 ARG 29 2HG ARG 29 -7.446 10.946 0.290 199 HD2 ARG 29 1HD ARG 29 -8.218 12.622 -2.067 200 HD3 ARG 29 2HD ARG 29 -9.433 11.669 -1.217 201 HE ARG 29 HE ARG 29 -8.274 12.989 0.799 202 HH11 ARG 29 1HH1 ARG 29 -9.447 14.071 -2.294 203 HH12 ARG 29 2HH1 ARG 29 -9.857 15.657 -1.730 204 HH21 ARG 29 1HH2 ARG 29 -8.810 15.073 1.555 205 HH22 ARG 29 2HH2 ARG 29 -9.494 16.226 0.459 206 H PHE 30 H PHE 30 -6.566 8.742 -0.211 207 HA PHE 30 HA PHE 30 -6.502 9.057 2.557 208 HB2 PHE 30 1HB PHE 30 -7.300 6.822 0.733 209 HB3 PHE 30 2HB PHE 30 -7.218 6.524 2.467 210 HD1 PHE 30 HD1 PHE 30 -8.626 7.909 4.007 211 HD2 PHE 30 HD2 PHE 30 -9.111 7.972 -0.221 212 HE1 PHE 30 HE1 PHE 30 -10.871 8.880 4.282 213 HE2 PHE 30 HE2 PHE 30 -11.355 8.944 0.047 214 HZ PHE 30 HZ PHE 30 -12.238 9.399 2.300 215 H VAL 31 H VAL 31 -4.382 7.291 0.417 216 HA VAL 31 HA VAL 31 -3.058 5.837 2.515 217 HB VAL 31 HB VAL 31 -2.166 6.302 -0.335 218 HG11 VAL 31 1HG1 VAL 31 -1.283 3.842 0.848 219 HG12 VAL 31 2HG1 VAL 31 -0.328 5.152 0.151 220 HG13 VAL 31 3HG1 VAL 31 -0.791 5.206 1.852 221 HG21 VAL 31 1HG2 VAL 31 -3.160 4.189 -0.871 222 HG22 VAL 31 2HG2 VAL 31 -3.598 3.910 0.814 223 HG23 VAL 31 3HG2 VAL 31 -4.389 5.194 -0.100 224 H ILE 32 H ILE 32 -2.481 8.795 0.699 225 HA ILE 32 HA ILE 32 0.156 9.226 1.699 226 HB ILE 32 HB ILE 32 -1.778 11.214 0.502 227 HG12 ILE 32 1HG1 ILE 32 0.553 9.932 -0.903 228 HG13 ILE 32 2HG1 ILE 32 -1.019 9.143 -0.860 229 HG21 ILE 32 1HG2 ILE 32 0.405 12.415 -0.042 230 HG22 ILE 32 2HG2 ILE 32 -0.151 12.469 1.630 231 HG23 ILE 32 3HG2 ILE 32 1.145 11.366 1.168 232 HD11 ILE 32 1HD1 ILE 32 -0.146 11.004 -2.705 233 HD12 ILE 32 2HD1 ILE 32 -1.804 10.450 -2.467 234 HD13 ILE 32 3HD1 ILE 32 -1.237 11.911 -1.658 235 H GLY 33 H GLY 33 -3.064 10.382 2.613 236 HA2 GLY 33 1HA GLY 33 -3.437 10.643 5.037 237 HA3 GLY 33 2HA GLY 33 -1.865 11.424 5.105 238 H LYS 34 H LYS 34 -4.533 12.394 5.915 239 HA LYS 34 HA LYS 34 -5.720 14.195 4.232 240 HB2 LYS 34 1HB LYS 34 -6.282 15.516 6.264 241 HB3 LYS 34 2HB LYS 34 -6.594 13.795 6.444 242 HG2 LYS 34 1HG LYS 34 -4.639 13.506 7.781 243 HG3 LYS 34 2HG LYS 34 -4.108 15.157 7.452 244 HD2 LYS 34 1HD LYS 34 -5.934 16.064 8.703 245 HD3 LYS 34 2HD LYS 34 -6.684 14.475 8.863 246 HE2 LYS 34 1HE LYS 34 -5.094 13.745 10.397 247 HE3 LYS 34 2HE LYS 34 -3.926 14.975 9.917 248 HZ1 LYS 34 1HZ LYS 34 -4.705 15.767 11.918 249 HZ2 LYS 34 2HZ LYS 34 -6.291 15.245 11.649 250 HZ3 LYS 34 3HZ LYS 34 -5.694 16.596 10.824 251 H ASN 35 H ASN 35 -2.781 14.679 6.150 252 HA ASN 35 HA ASN 35 -2.336 17.211 4.718 253 HB2 ASN 35 1HB ASN 35 -0.762 16.438 7.144 254 HB3 ASN 35 2HB ASN 35 -1.196 18.042 6.559 255 HD21 ASN 35 1HD2 ASN 35 -3.813 18.063 6.331 256 HD22 ASN 35 2HD2 ASN 35 -4.596 17.705 7.829 257 H GLY 36 H GLY 36 -1.092 14.037 5.337 258 HA2 GLY 36 1HA GLY 36 0.357 13.220 3.472 259 HA3 GLY 36 2HA GLY 36 1.292 14.689 3.714 260 H GLU 37 H GLU 37 -0.030 12.251 5.954 261 HA GLU 37 HA GLU 37 2.717 11.797 6.914 262 HB2 GLU 37 1HB GLU 37 0.377 11.603 8.774 263 HB3 GLU 37 2HB GLU 37 2.072 11.890 9.145 264 HG2 GLU 37 1HG GLU 37 1.666 14.116 7.830 265 HG3 GLU 37 2HG GLU 37 -0.019 13.799 8.237 266 H LYS 38 H LYS 38 -0.416 10.503 6.152 267 HA LYS 38 HA LYS 38 -0.233 7.949 7.238 268 HB2 LYS 38 1HB LYS 38 -2.245 8.968 6.130 269 HB3 LYS 38 2HB LYS 38 -1.486 8.643 4.577 270 HG2 LYS 38 1HG LYS 38 -3.018 6.892 4.959 271 HG3 LYS 38 2HG LYS 38 -1.410 6.219 5.241 272 HD2 LYS 38 1HD LYS 38 -1.904 6.930 7.724 273 HD3 LYS 38 2HD LYS 38 -3.584 6.842 7.187 274 HE2 LYS 38 1HE LYS 38 -3.327 4.549 6.553 275 HE3 LYS 38 2HE LYS 38 -1.588 4.614 6.826 276 HZ1 LYS 38 1HZ LYS 38 -2.160 3.739 8.800 277 HZ2 LYS 38 2HZ LYS 38 -3.750 4.311 8.734 278 HZ3 LYS 38 3HZ LYS 38 -2.499 5.343 9.219 279 H LEU 39 H LEU 39 1.385 9.340 4.507 280 HA LEU 39 HA LEU 39 2.243 6.768 3.471 281 HB2 LEU 39 1HB LEU 39 1.895 8.238 1.734 282 HB3 LEU 39 2HB LEU 39 2.538 9.612 2.631 283 HG LEU 39 HG LEU 39 4.822 8.501 2.360 284 HD11 LEU 39 1HD1 LEU 39 3.632 7.128 -0.003 285 HD12 LEU 39 2HD1 LEU 39 3.597 6.333 1.570 286 HD13 LEU 39 3HD1 LEU 39 5.138 6.798 0.852 287 HD21 LEU 39 1HD2 LEU 39 3.874 10.488 1.086 288 HD22 LEU 39 2HD2 LEU 39 3.543 9.353 -0.223 289 HD23 LEU 39 3HD2 LEU 39 5.201 9.611 0.323 290 H GLN 40 H GLN 40 3.667 9.585 5.081 291 HA GLN 40 HA GLN 40 6.326 8.658 5.089 292 HB2 GLN 40 1HB GLN 40 6.812 10.500 6.368 293 HB3 GLN 40 2HB GLN 40 5.273 11.005 5.680 294 HG2 GLN 40 1HG GLN 40 4.114 10.416 7.697 295 HG3 GLN 40 2HG GLN 40 5.582 9.721 8.383 296 HE21 GLN 40 1HE2 GLN 40 6.029 10.989 10.058 297 HE22 GLN 40 2HE2 GLN 40 6.218 12.706 9.991 298 H ASP 41 H ASP 41 3.655 8.216 7.346 299 HA ASP 41 HA ASP 41 5.213 6.907 9.346 300 HB2 ASP 41 1HB ASP 41 2.857 8.071 9.498 301 HB3 ASP 41 2HB ASP 41 2.265 6.464 9.083 302 H LEU 42 H LEU 42 3.379 5.859 6.551 303 HA LEU 42 HA LEU 42 3.378 3.087 7.194 304 HB2 LEU 42 1HB LEU 42 2.742 4.741 4.816 305 HB3 LEU 42 2HB LEU 42 3.085 3.033 4.547 306 HG LEU 42 HG LEU 42 0.946 4.070 6.405 307 HD11 LEU 42 1HD1 LEU 42 0.966 3.549 3.504 308 HD12 LEU 42 2HD1 LEU 42 -0.067 4.607 4.465 309 HD13 LEU 42 3HD1 LEU 42 -0.393 2.874 4.405 310 HD21 LEU 42 1HD2 LEU 42 0.837 1.345 5.313 311 HD22 LEU 42 2HD2 LEU 42 0.489 1.935 6.938 312 HD23 LEU 42 3HD2 LEU 42 2.157 1.645 6.444 313 H GLU 43 H GLU 43 5.333 5.039 4.944 314 HA GLU 43 HA GLU 43 6.984 3.055 3.963 315 HB2 GLU 43 1HB GLU 43 7.287 5.989 4.379 316 HB3 GLU 43 2HB GLU 43 8.727 5.064 3.980 317 HG2 GLU 43 1HG GLU 43 7.481 4.167 1.996 318 HG3 GLU 43 2HG GLU 43 6.214 5.338 2.357 319 H LEU 44 H LEU 44 7.026 4.612 7.076 320 HA LEU 44 HA LEU 44 9.629 3.572 7.788 321 HB2 LEU 44 1HB LEU 44 7.536 5.188 9.184 322 HB3 LEU 44 2HB LEU 44 8.835 4.435 10.108 323 HG LEU 44 HG LEU 44 9.164 6.475 7.909 324 HD11 LEU 44 1HD1 LEU 44 9.655 8.041 9.559 325 HD12 LEU 44 2HD1 LEU 44 9.886 6.808 10.799 326 HD13 LEU 44 3HD1 LEU 44 8.264 7.175 10.211 327 HD21 LEU 44 1HD2 LEU 44 10.980 4.532 8.929 328 HD22 LEU 44 2HD2 LEU 44 11.507 6.131 9.456 329 HD23 LEU 44 3HD2 LEU 44 11.269 5.801 7.739 330 H LYS 45 H LYS 45 6.422 3.221 9.312 331 HA LYS 45 HA LYS 45 6.919 1.100 10.950 332 HB2 LYS 45 1HB LYS 45 4.768 2.333 10.811 333 HB3 LYS 45 2HB LYS 45 4.395 1.472 9.324 334 HG2 LYS 45 1HG LYS 45 4.672 -0.661 10.716 335 HG3 LYS 45 2HG LYS 45 4.558 0.406 12.118 336 HD2 LYS 45 1HD LYS 45 2.361 -0.345 11.734 337 HD3 LYS 45 2HD LYS 45 2.412 1.291 11.071 338 HE2 LYS 45 1HE LYS 45 1.271 -0.063 9.489 339 HE3 LYS 45 2HE LYS 45 2.873 0.257 8.828 340 HZ1 LYS 45 1HZ LYS 45 3.512 -1.959 9.850 341 HZ2 LYS 45 2HZ LYS 45 2.517 -2.008 8.483 342 HZ3 LYS 45 3HZ LYS 45 1.853 -2.249 10.021 343 H THR 46 H THR 46 6.356 1.019 7.482 344 HA THR 46 HA THR 46 6.595 -1.902 7.479 345 HB THR 46 HB THR 46 5.787 -1.878 5.227 346 HG1 THR 46 HG1 THR 46 6.467 0.838 5.375 347 HG21 THR 46 1HG2 THR 46 4.290 0.004 7.039 348 HG22 THR 46 2HG2 THR 46 3.990 -1.711 6.759 349 HG23 THR 46 3HG2 THR 46 3.647 -0.537 5.490 350 H ALA 47 H ALA 47 8.483 0.850 7.078 351 HA ALA 47 HA ALA 47 10.553 1.263 6.211 352 HB1 ALA 47 1HB ALA 47 10.615 -1.465 7.304 353 HB2 ALA 47 2HB ALA 47 11.934 -1.060 6.204 354 HB3 ALA 47 3HB ALA 47 11.652 -0.080 7.643 355 H THR 48 H THR 48 8.644 0.942 4.232 356 HA THR 48 HA THR 48 10.122 -0.509 2.134 357 HB THR 48 HB THR 48 7.965 -0.632 0.897 358 HG1 THR 48 HG1 THR 48 7.026 0.566 3.292 359 HG21 THR 48 1HG2 THR 48 7.666 -1.861 3.629 360 HG22 THR 48 2HG2 THR 48 8.844 -2.445 2.453 361 HG23 THR 48 3HG2 THR 48 7.122 -2.497 2.078 362 H LYS 49 H LYS 49 9.272 0.448 -0.130 363 HA LYS 49 HA LYS 49 9.701 3.361 0.026 364 HB2 LYS 49 1HB LYS 49 11.508 1.834 -1.028 365 HB3 LYS 49 2HB LYS 49 10.391 1.694 -2.379 366 HG2 LYS 49 1HG LYS 49 11.779 3.422 -3.027 367 HG3 LYS 49 2HG LYS 49 10.386 4.271 -2.354 368 HD2 LYS 49 1HD LYS 49 12.258 5.367 -1.451 369 HD3 LYS 49 2HD LYS 49 11.685 4.311 -0.158 370 HE2 LYS 49 1HE LYS 49 13.392 2.681 -0.687 371 HE3 LYS 49 2HE LYS 49 13.920 3.639 -2.070 372 HZ1 LYS 49 1HZ LYS 49 15.223 4.829 -0.756 373 HZ2 LYS 49 2HZ LYS 49 14.837 3.805 0.533 374 HZ3 LYS 49 3HZ LYS 49 13.940 5.217 0.276 375 H ILE 50 H ILE 50 7.409 3.674 0.160 376 HA ILE 50 HA ILE 50 5.679 2.763 -1.932 377 HB ILE 50 HB ILE 50 5.230 4.904 0.151 378 HG12 ILE 50 1HG1 ILE 50 4.175 2.076 0.122 379 HG13 ILE 50 2HG1 ILE 50 5.670 2.523 0.938 380 HG21 ILE 50 1HG2 ILE 50 3.360 3.572 -1.791 381 HG22 ILE 50 2HG2 ILE 50 2.808 4.439 -0.360 382 HG23 ILE 50 3HG2 ILE 50 3.702 5.292 -1.617 383 HD11 ILE 50 1HD1 ILE 50 4.510 3.101 2.722 384 HD12 ILE 50 2HD1 ILE 50 3.656 4.322 1.778 385 HD13 ILE 50 3HD1 ILE 50 3.011 2.685 1.891 386 H GLN 51 H GLN 51 5.542 3.588 -3.903 387 HA GLN 51 HA GLN 51 6.202 6.434 -4.288 388 HB2 GLN 51 1HB GLN 51 7.024 4.014 -5.810 389 HB3 GLN 51 2HB GLN 51 6.691 5.474 -6.731 390 HG2 GLN 51 1HG GLN 51 8.278 6.614 -5.039 391 HG3 GLN 51 2HG GLN 51 8.814 4.971 -4.693 392 HE21 GLN 51 1HE2 GLN 51 10.655 4.598 -5.686 393 HE22 GLN 51 2HE2 GLN 51 11.052 5.050 -7.304 394 H ILE 52 H ILE 52 4.317 7.450 -4.548 395 HA ILE 52 HA ILE 52 2.133 6.153 -5.975 396 HB ILE 52 HB ILE 52 2.230 8.811 -4.545 397 HG12 ILE 52 1HG1 ILE 52 0.710 6.353 -3.701 398 HG13 ILE 52 2HG1 ILE 52 2.388 6.594 -3.227 399 HG21 ILE 52 1HG2 ILE 52 -0.053 9.077 -4.950 400 HG22 ILE 52 2HG2 ILE 52 0.590 8.524 -6.495 401 HG23 ILE 52 3HG2 ILE 52 -0.257 7.395 -5.438 402 HD11 ILE 52 1HD1 ILE 52 1.853 8.116 -1.683 403 HD12 ILE 52 2HD1 ILE 52 0.649 8.889 -2.715 404 HD13 ILE 52 3HD1 ILE 52 0.233 7.431 -1.815 405 HA PRO 53 HA PRO 53 2.999 8.189 -9.793 406 HB2 PRO 53 1HB PRO 53 0.560 7.899 -10.948 407 HB3 PRO 53 2HB PRO 53 1.703 6.562 -10.770 408 HG2 PRO 53 1HG PRO 53 -0.673 7.260 -9.088 409 HG3 PRO 53 2HG PRO 53 -0.138 5.670 -9.665 410 HD2 PRO 53 1HD PRO 53 0.338 6.542 -7.145 411 HD3 PRO 53 2HD PRO 53 1.454 5.466 -8.011 412 H ARG 54 H ARG 54 2.753 10.183 -10.726 413 HA ARG 54 HA ARG 54 1.762 12.299 -9.208 414 HB2 ARG 54 1HB ARG 54 2.507 12.040 -12.110 415 HB3 ARG 54 2HB ARG 54 1.879 13.551 -11.469 416 HG2 ARG 54 1HG ARG 54 3.713 13.696 -9.905 417 HG3 ARG 54 2HG ARG 54 4.318 12.124 -10.432 418 HD2 ARG 54 1HD ARG 54 4.390 13.208 -12.779 419 HD3 ARG 54 2HD ARG 54 4.302 14.734 -11.900 420 HE ARG 54 HE ARG 54 6.506 14.479 -11.410 421 HH11 ARG 54 1HH1 ARG 54 5.150 11.328 -12.007 422 HH12 ARG 54 2HH1 ARG 54 6.661 10.500 -11.826 423 HH21 ARG 54 1HH2 ARG 54 8.502 13.399 -11.170 424 HH22 ARG 54 2HH2 ARG 54 8.566 11.679 -11.350 425 HA PRO 55 HA PRO 55 -2.548 12.524 -9.994 426 HB2 PRO 55 1HB PRO 55 -2.954 15.207 -10.080 427 HB3 PRO 55 2HB PRO 55 -2.600 14.337 -8.583 428 HG2 PRO 55 1HG PRO 55 -0.759 15.918 -10.338 429 HG3 PRO 55 2HG PRO 55 -0.872 15.893 -8.567 430 HD2 PRO 55 1HD PRO 55 1.028 14.523 -9.926 431 HD3 PRO 55 2HD PRO 55 0.347 13.945 -8.393 432 H ASP 56 H ASP 56 -0.298 13.775 -12.244 433 HA ASP 56 HA ASP 56 -2.365 14.340 -14.238 434 HB2 ASP 56 1HB ASP 56 -0.447 15.932 -13.880 435 HB3 ASP 56 2HB ASP 56 0.624 14.685 -14.513 436 H ASP 57 H ASP 57 -0.005 11.975 -13.371 437 HA ASP 57 HA ASP 57 0.117 10.709 -15.947 438 HB2 ASP 57 1HB ASP 57 1.809 10.652 -13.906 439 HB3 ASP 57 2HB ASP 57 0.847 9.250 -13.447 440 HA PRO 58 HA PRO 58 -3.575 8.322 -15.675 441 HB2 PRO 58 1HB PRO 58 -2.939 6.376 -17.458 442 HB3 PRO 58 2HB PRO 58 -3.362 8.022 -17.943 443 HG2 PRO 58 1HG PRO 58 -0.659 6.769 -17.657 444 HG3 PRO 58 2HG PRO 58 -1.268 7.833 -18.937 445 HD2 PRO 58 1HD PRO 58 0.307 8.730 -16.926 446 HD3 PRO 58 2HD PRO 58 -0.942 9.739 -17.683 447 H SER 59 H SER 59 -0.649 7.400 -14.421 448 HA SER 59 HA SER 59 -1.293 4.639 -13.858 449 HB2 SER 59 1HB SER 59 0.991 6.455 -13.114 450 HB3 SER 59 2HB SER 59 0.808 4.865 -12.372 451 HG SER 59 HG SER 59 1.225 3.914 -14.256 452 H ASN 60 H ASN 60 -2.564 4.007 -12.257 453 HA ASN 60 HA ASN 60 -2.811 5.738 -9.885 454 HB2 ASN 60 1HB ASN 60 -5.138 4.990 -9.669 455 HB3 ASN 60 2HB ASN 60 -4.870 5.770 -11.225 456 HD21 ASN 60 1HD2 ASN 60 -6.486 3.372 -9.872 457 HD22 ASN 60 2HD2 ASN 60 -6.520 2.223 -11.162 458 H GLN 61 H GLN 61 -1.103 3.328 -10.566 459 HA GLN 61 HA GLN 61 -2.024 1.524 -8.431 460 HB2 GLN 61 1HB GLN 61 -0.612 -0.185 -9.438 461 HB3 GLN 61 2HB GLN 61 -1.722 0.471 -10.634 462 HG2 GLN 61 1HG GLN 61 0.246 2.030 -11.250 463 HG3 GLN 61 2HG GLN 61 1.230 0.846 -10.394 464 HE21 GLN 61 1HE2 GLN 61 0.363 -1.514 -11.048 465 HE22 GLN 61 2HE2 GLN 61 0.368 -1.779 -12.756 466 H ILE 62 H ILE 62 -0.997 1.615 -6.555 467 HA ILE 62 HA ILE 62 1.360 3.205 -6.218 468 HB ILE 62 HB ILE 62 -0.273 1.517 -4.343 469 HG12 ILE 62 1HG1 ILE 62 0.361 4.472 -4.322 470 HG13 ILE 62 2HG1 ILE 62 -1.067 3.784 -5.085 471 HG21 ILE 62 1HG2 ILE 62 1.199 2.427 -2.523 472 HG22 ILE 62 2HG2 ILE 62 1.944 1.203 -3.549 473 HG23 ILE 62 3HG2 ILE 62 2.336 2.906 -3.782 474 HD11 ILE 62 1HD1 ILE 62 -1.246 2.725 -2.601 475 HD12 ILE 62 2HD1 ILE 62 -0.491 4.283 -2.262 476 HD13 ILE 62 3HD1 ILE 62 -2.031 4.216 -3.118 477 H LYS 63 H LYS 63 3.409 2.526 -5.525 478 HA LYS 63 HA LYS 63 4.021 -0.291 -6.135 479 HB2 LYS 63 1HB LYS 63 5.055 1.200 -7.738 480 HB3 LYS 63 2HB LYS 63 5.737 2.178 -6.444 481 HG2 LYS 63 1HG LYS 63 7.372 0.646 -5.958 482 HG3 LYS 63 2HG LYS 63 6.439 -0.711 -6.592 483 HD2 LYS 63 1HD LYS 63 6.736 0.628 -8.861 484 HD3 LYS 63 2HD LYS 63 8.155 1.254 -8.018 485 HE2 LYS 63 1HE LYS 63 8.977 -0.616 -9.127 486 HE3 LYS 63 2HE LYS 63 8.662 -1.221 -7.501 487 HZ1 LYS 63 1HZ LYS 63 7.204 -1.754 -9.995 488 HZ2 LYS 63 2HZ LYS 63 6.371 -1.831 -8.525 489 HZ3 LYS 63 3HZ LYS 63 7.706 -2.834 -8.793 490 H ILE 64 H ILE 64 4.983 -1.507 -4.618 491 HA ILE 64 HA ILE 64 6.059 -0.154 -2.234 492 HB ILE 64 HB ILE 64 5.242 -2.459 -1.141 493 HG12 ILE 64 1HG1 ILE 64 3.163 -1.837 -3.251 494 HG13 ILE 64 2HG1 ILE 64 4.218 -3.245 -3.248 495 HG21 ILE 64 1HG2 ILE 64 3.172 -0.335 -1.430 496 HG22 ILE 64 2HG2 ILE 64 3.704 -1.201 0.010 497 HG23 ILE 64 3HG2 ILE 64 4.716 0.067 -0.680 498 HD11 ILE 64 1HD1 ILE 64 2.662 -4.323 -2.112 499 HD12 ILE 64 2HD1 ILE 64 2.955 -3.235 -0.755 500 HD13 ILE 64 3HD1 ILE 64 1.706 -2.852 -1.938 501 H THR 65 H THR 65 8.160 -0.545 -2.100 502 HA THR 65 HA THR 65 9.139 -3.235 -2.802 503 HB THR 65 HB THR 65 10.761 -0.715 -3.163 504 HG1 THR 65 HG1 THR 65 9.905 -0.485 -5.097 505 HG21 THR 65 1HG2 THR 65 11.783 -2.498 -4.881 506 HG22 THR 65 2HG2 THR 65 11.156 -3.609 -3.663 507 HG23 THR 65 3HG2 THR 65 12.323 -2.368 -3.208 508 H GLY 66 H GLY 66 10.537 -4.192 -1.399 509 HA2 GLY 66 1HA GLY 66 12.288 -3.131 0.386 510 HA3 GLY 66 2HA GLY 66 10.752 -3.031 1.232 511 H THR 67 H THR 67 11.102 -4.524 2.805 512 HA THR 67 HA THR 67 12.198 -7.122 2.197 513 HB THR 67 HB THR 67 11.498 -7.559 4.655 514 HG1 THR 67 HG1 THR 67 10.217 -5.386 4.404 515 HG21 THR 67 1HG2 THR 67 13.495 -5.350 4.177 516 HG22 THR 67 2HG2 THR 67 13.807 -7.042 3.786 517 HG23 THR 67 3HG2 THR 67 13.509 -6.563 5.457 518 H LYS 68 H LYS 68 11.132 -9.043 2.054 519 HA LYS 68 HA LYS 68 8.645 -9.265 1.004 520 HB2 LYS 68 1HB LYS 68 10.491 -11.065 1.530 521 HB3 LYS 68 2HB LYS 68 9.500 -11.369 2.952 522 HG2 LYS 68 1HG LYS 68 7.773 -12.235 1.738 523 HG3 LYS 68 2HG LYS 68 8.165 -11.292 0.298 524 HD2 LYS 68 1HD LYS 68 10.122 -13.340 1.203 525 HD3 LYS 68 2HD LYS 68 8.632 -13.898 0.437 526 HE2 LYS 68 1HE LYS 68 9.116 -12.395 -1.477 527 HE3 LYS 68 2HE LYS 68 10.652 -11.979 -0.719 528 HZ1 LYS 68 1HZ LYS 68 10.401 -14.780 -0.851 529 HZ2 LYS 68 2HZ LYS 68 11.558 -13.788 -1.582 530 HZ3 LYS 68 3HZ LYS 68 10.110 -14.133 -2.387 531 H GLU 69 H GLU 69 9.454 -8.952 4.400 532 HA GLU 69 HA GLU 69 6.737 -9.430 5.270 533 HB2 GLU 69 1HB GLU 69 9.249 -8.587 6.712 534 HB3 GLU 69 2HB GLU 69 7.690 -8.702 7.515 535 HG2 GLU 69 1HG GLU 69 7.565 -11.075 6.902 536 HG3 GLU 69 2HG GLU 69 9.153 -10.949 6.148 537 H GLY 70 H GLY 70 8.860 -6.684 4.707 538 HA2 GLY 70 1HA GLY 70 7.230 -4.714 5.922 539 HA3 GLY 70 2HA GLY 70 8.473 -4.420 4.716 540 H ILE 71 H ILE 71 7.597 -5.614 2.493 541 HA ILE 71 HA ILE 71 5.735 -3.850 1.435 542 HB ILE 71 HB ILE 71 6.394 -6.632 0.464 543 HG12 ILE 71 1HG1 ILE 71 7.509 -3.952 -0.386 544 HG13 ILE 71 2HG1 ILE 71 8.333 -5.086 0.679 545 HG21 ILE 71 1HG2 ILE 71 4.842 -4.380 -0.746 546 HG22 ILE 71 2HG2 ILE 71 5.710 -5.522 -1.770 547 HG23 ILE 71 3HG2 ILE 71 4.450 -6.098 -0.680 548 HD11 ILE 71 1HD1 ILE 71 8.024 -5.110 -2.233 549 HD12 ILE 71 2HD1 ILE 71 9.301 -5.776 -1.214 550 HD13 ILE 71 3HD1 ILE 71 7.800 -6.672 -1.446 551 H GLU 72 H GLU 72 5.237 -7.190 2.552 552 HA GLU 72 HA GLU 72 2.553 -7.463 1.937 553 HB2 GLU 72 1HB GLU 72 4.308 -8.637 4.057 554 HB3 GLU 72 2HB GLU 72 2.579 -8.950 4.105 555 HG2 GLU 72 1HG GLU 72 2.840 -9.694 1.669 556 HG3 GLU 72 2HG GLU 72 4.569 -9.739 2.011 557 H LYS 73 H LYS 73 4.035 -6.071 4.840 558 HA LYS 73 HA LYS 73 1.704 -5.614 6.306 559 HB2 LYS 73 1HB LYS 73 4.412 -4.335 6.264 560 HB3 LYS 73 2HB LYS 73 3.136 -3.640 7.254 561 HG2 LYS 73 1HG LYS 73 3.033 -5.485 8.648 562 HG3 LYS 73 2HG LYS 73 3.796 -6.548 7.462 563 HD2 LYS 73 1HD LYS 73 5.922 -5.721 7.905 564 HD3 LYS 73 2HD LYS 73 5.301 -4.225 8.606 565 HE2 LYS 73 1HE LYS 73 4.873 -6.922 9.869 566 HE3 LYS 73 2HE LYS 73 6.275 -5.916 10.224 567 HZ1 LYS 73 1HZ LYS 73 4.693 -4.139 10.879 568 HZ2 LYS 73 2HZ LYS 73 4.627 -5.507 11.870 569 HZ3 LYS 73 3HZ LYS 73 3.426 -5.247 10.709 570 H ALA 74 H ALA 74 3.460 -3.368 4.166 571 HA ALA 74 HA ALA 74 1.578 -1.277 4.351 572 HB1 ALA 74 1HB ALA 74 3.275 -0.254 3.352 573 HB2 ALA 74 2HB ALA 74 4.015 -1.798 2.929 574 HB3 ALA 74 3HB ALA 74 2.828 -1.066 1.850 575 H ARG 75 H ARG 75 1.817 -4.077 2.250 576 HA ARG 75 HA ARG 75 -0.125 -3.245 0.355 577 HB2 ARG 75 1HB ARG 75 1.667 -5.194 0.311 578 HB3 ARG 75 2HB ARG 75 0.321 -6.138 0.932 579 HG2 ARG 75 1HG ARG 75 -0.987 -5.707 -0.999 580 HG3 ARG 75 2HG ARG 75 0.153 -4.488 -1.573 581 HD2 ARG 75 1HD ARG 75 0.286 -6.717 -2.726 582 HD3 ARG 75 2HD ARG 75 1.801 -6.126 -2.046 583 HE ARG 75 HE ARG 75 0.747 -7.690 -0.080 584 HH11 ARG 75 1HH1 ARG 75 1.526 -8.172 -3.438 585 HH12 ARG 75 2HH1 ARG 75 1.878 -9.858 -3.249 586 HH21 ARG 75 1HH2 ARG 75 1.208 -9.908 0.182 587 HH22 ARG 75 2HH2 ARG 75 1.696 -10.844 -1.189 588 H HIS 76 H HIS 76 -0.280 -5.043 3.378 589 HA HIS 76 HA HIS 76 -3.009 -5.816 3.115 590 HB2 HIS 76 1HB HIS 76 -1.215 -6.848 4.635 591 HB3 HIS 76 2HB HIS 76 -1.545 -5.508 5.730 592 HD1 HIS 76 HD1 HIS 76 -3.229 -8.521 4.204 593 HD2 HIS 76 HD2 HIS 76 -3.791 -5.795 7.288 594 HE1 HIS 76 HE1 HIS 76 -5.162 -9.411 5.544 595 H GLU 77 H GLU 77 -1.356 -3.029 4.445 596 HA GLU 77 HA GLU 77 -3.682 -1.959 5.740 597 HB2 GLU 77 1HB GLU 77 -0.999 -0.751 5.062 598 HB3 GLU 77 2HB GLU 77 -2.258 0.111 5.936 599 HG2 GLU 77 1HG GLU 77 -1.077 -2.493 6.861 600 HG3 GLU 77 2HG GLU 77 -0.476 -0.912 7.356 601 H VAL 78 H VAL 78 -1.847 -1.098 2.812 602 HA VAL 78 HA VAL 78 -3.449 1.013 1.957 603 HB VAL 78 HB VAL 78 -1.195 0.196 1.013 604 HG11 VAL 78 1HG1 VAL 78 -3.002 -1.328 -0.851 605 HG12 VAL 78 2HG1 VAL 78 -1.238 -1.282 -0.850 606 HG13 VAL 78 3HG1 VAL 78 -2.103 -2.082 0.464 607 HG21 VAL 78 1HG2 VAL 78 -2.043 2.136 0.066 608 HG22 VAL 78 2HG2 VAL 78 -1.901 1.061 -1.326 609 HG23 VAL 78 3HG2 VAL 78 -3.473 1.322 -0.570 610 H LEU 79 H LEU 79 -3.800 -2.459 1.467 611 HA LEU 79 HA LEU 79 -5.986 -2.236 -0.361 612 HB2 LEU 79 1HB LEU 79 -4.646 -4.437 1.122 613 HB3 LEU 79 2HB LEU 79 -6.265 -4.729 0.489 614 HG LEU 79 HG LEU 79 -3.968 -3.803 -1.226 615 HD11 LEU 79 1HD1 LEU 79 -4.398 -6.404 -1.902 616 HD12 LEU 79 2HD1 LEU 79 -4.582 -6.455 -0.149 617 HD13 LEU 79 3HD1 LEU 79 -3.094 -5.832 -0.862 618 HD21 LEU 79 1HD2 LEU 79 -6.004 -5.361 -2.512 619 HD22 LEU 79 2HD2 LEU 79 -5.464 -3.719 -2.863 620 HD23 LEU 79 3HD2 LEU 79 -6.731 -3.996 -1.666 621 H LEU 80 H LEU 80 -5.677 -2.753 3.118 622 HA LEU 80 HA LEU 80 -8.366 -3.321 3.674 623 HB2 LEU 80 1HB LEU 80 -6.033 -2.352 5.226 624 HB3 LEU 80 2HB LEU 80 -7.628 -2.142 5.946 625 HG LEU 80 HG LEU 80 -6.533 -4.795 5.023 626 HD11 LEU 80 1HD1 LEU 80 -5.399 -3.484 7.016 627 HD12 LEU 80 2HD1 LEU 80 -5.697 -5.220 7.100 628 HD13 LEU 80 3HD1 LEU 80 -6.799 -4.097 7.897 629 HD21 LEU 80 1HD2 LEU 80 -8.363 -5.748 6.220 630 HD22 LEU 80 2HD2 LEU 80 -9.014 -4.511 5.146 631 HD23 LEU 80 3HD2 LEU 80 -8.832 -4.177 6.868 632 H ILE 81 H ILE 81 -6.622 -0.252 3.479 633 HA ILE 81 HA ILE 81 -8.803 1.364 4.320 634 HB ILE 81 HB ILE 81 -6.347 2.091 2.721 635 HG12 ILE 81 1HG1 ILE 81 -6.799 2.870 5.567 636 HG13 ILE 81 2HG1 ILE 81 -6.316 1.213 5.225 637 HG21 ILE 81 1HG2 ILE 81 -8.304 3.643 2.449 638 HG22 ILE 81 2HG2 ILE 81 -8.191 3.968 4.178 639 HG23 ILE 81 3HG2 ILE 81 -6.847 4.379 3.114 640 HD11 ILE 81 1HD1 ILE 81 -4.738 3.620 5.263 641 HD12 ILE 81 2HD1 ILE 81 -4.225 1.933 5.238 642 HD13 ILE 81 3HD1 ILE 81 -4.576 2.770 3.727 643 H SER 82 H SER 82 -7.449 0.621 1.114 644 HA SER 82 HA SER 82 -9.254 2.142 -0.391 645 HB2 SER 82 1HB SER 82 -8.602 0.666 -2.286 646 HB3 SER 82 2HB SER 82 -7.213 1.265 -1.379 647 HG SER 82 HG SER 82 -7.654 -0.888 -0.171 648 H ALA 83 H ALA 83 -9.413 -1.215 0.715 649 HA ALA 83 HA ALA 83 -11.712 -2.008 -0.650 650 HB1 ALA 83 1HB ALA 83 -11.849 -3.343 1.766 651 HB2 ALA 83 2HB ALA 83 -10.989 -3.878 0.322 652 HB3 ALA 83 3HB ALA 83 -10.132 -2.985 1.578 653 H GLU 84 H GLU 84 -11.458 -0.782 2.694 654 HA GLU 84 HA GLU 84 -14.087 -0.742 3.415 655 HB2 GLU 84 1HB GLU 84 -11.837 1.147 4.030 656 HB3 GLU 84 2HB GLU 84 -13.445 1.440 4.676 657 HG2 GLU 84 1HG GLU 84 -13.291 -0.997 5.519 658 HG3 GLU 84 2HG GLU 84 -11.559 -0.801 5.256 659 H GLN 85 H GLN 85 -12.394 1.696 1.480 660 HA GLN 85 HA GLN 85 -14.415 3.584 1.263 661 HB2 GLN 85 1HB GLN 85 -12.397 2.792 -0.846 662 HB3 GLN 85 2HB GLN 85 -13.318 4.290 -0.823 663 HG2 GLN 85 1HG GLN 85 -11.196 3.412 1.115 664 HG3 GLN 85 2HG GLN 85 -11.133 4.759 -0.020 665 HE21 GLN 85 1HE2 GLN 85 -10.784 4.726 2.878 666 HE22 GLN 85 2HE2 GLN 85 -11.961 5.818 3.514 667 H ASP 86 H ASP 86 -13.860 0.662 -0.650 668 HA ASP 86 HA ASP 86 -15.868 1.082 -2.566 669 HB2 ASP 86 1HB ASP 86 -14.032 -0.639 -2.676 670 HB3 ASP 86 2HB ASP 86 -14.950 -1.599 -1.518 671 H LYS 87 H LYS 87 -15.965 -0.250 0.675 672 HA LYS 87 HA LYS 87 -18.591 -1.322 0.516 673 HB2 LYS 87 1HB LYS 87 -16.741 -1.822 2.241 674 HB3 LYS 87 2HB LYS 87 -17.293 -0.366 3.057 675 HG2 LYS 87 1HG LYS 87 -19.640 -1.561 2.825 676 HG3 LYS 87 2HG LYS 87 -18.621 -3.001 2.764 677 HD2 LYS 87 1HD LYS 87 -18.918 -2.845 5.023 678 HD3 LYS 87 2HD LYS 87 -17.482 -1.834 4.851 679 HE2 LYS 87 1HE LYS 87 -20.331 -0.844 4.942 680 HE3 LYS 87 2HE LYS 87 -19.183 -0.788 6.279 681 HZ1 LYS 87 1HZ LYS 87 -17.769 0.658 4.959 682 HZ2 LYS 87 2HZ LYS 87 -19.311 1.333 5.133 683 HZ3 LYS 87 3HZ LYS 87 -18.868 0.602 3.673 684 H ARG 88 H ARG 88 -17.282 1.811 1.439 685 HA ARG 88 HA ARG 88 -19.337 3.039 2.711 686 HB2 ARG 88 1HB ARG 88 -17.713 4.249 0.466 687 HB3 ARG 88 2HB ARG 88 -18.608 5.147 1.685 688 HG2 ARG 88 1HG ARG 88 -16.557 3.199 2.592 689 HG3 ARG 88 2HG ARG 88 -16.021 4.732 1.900 690 HD2 ARG 88 1HD ARG 88 -17.968 4.444 4.186 691 HD3 ARG 88 2HD ARG 88 -16.252 4.810 4.359 692 HE ARG 88 HE ARG 88 -17.653 6.644 2.649 693 HH11 ARG 88 1HH1 ARG 88 -16.792 5.885 5.935 694 HH12 ARG 88 2HH1 ARG 88 -16.952 7.518 6.492 695 HH21 ARG 88 1HH2 ARG 88 -17.866 8.798 3.369 696 HH22 ARG 88 2HH2 ARG 88 -17.564 9.174 5.032 697 H SER 89 H SER 89 -19.029 2.738 -0.824 698 HA SER 89 HA SER 89 -21.932 2.764 -1.054 699 HB2 SER 89 1HB SER 89 -21.999 4.538 -2.686 700 HB3 SER 89 2HB SER 89 -21.171 5.148 -1.253 701 HG SER 89 HG SER 89 -20.044 4.337 -3.717 702 H GLY 90 H GLY 90 -22.344 0.969 -2.156 703 HA2 GLY 90 1HA GLY 90 -20.922 0.507 -4.673 704 HA3 GLY 90 2HA GLY 90 -20.873 -0.772 -3.468 705 HA PRO 91 HA PRO 91 -24.499 -1.651 -6.158 706 HB2 PRO 91 1HB PRO 91 -24.124 -4.339 -6.150 707 HB3 PRO 91 2HB PRO 91 -23.300 -3.257 -7.279 708 HG2 PRO 91 1HG PRO 91 -22.290 -4.465 -4.733 709 HG3 PRO 91 2HG PRO 91 -21.464 -4.290 -6.292 710 HD2 PRO 91 1HD PRO 91 -21.022 -2.612 -4.213 711 HD3 PRO 91 2HD PRO 91 -20.933 -2.080 -5.904 712 H SER 92 H SER 92 -25.927 -1.024 -4.489 713 HA SER 92 HA SER 92 -27.253 -1.265 -2.623 714 HB2 SER 92 1HB SER 92 -27.595 -3.942 -3.995 715 HB3 SER 92 2HB SER 92 -28.685 -3.294 -2.769 716 HG SER 92 HG SER 92 -28.113 -1.688 -4.977 717 H SER 93 H SER 93 -24.596 -1.742 -1.939 718 HA SER 93 HA SER 93 -24.718 -4.075 -0.158 719 HB2 SER 93 1HB SER 93 -22.366 -4.118 -0.147 720 HB3 SER 93 2HB SER 93 -22.772 -3.705 -1.812 721 HG SER 93 HG SER 93 -21.898 -1.803 -1.551 722 H GLY 94 H GLY 94 -24.616 -3.873 2.022 723 HA2 GLY 94 1HA GLY 94 -24.599 -1.114 3.072 724 HA3 GLY 94 2HA GLY 94 -25.474 -2.451 3.803 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -13.312 -20.634 2.376 2 HA2 GLY 1 1HA GLY 1 -14.628 -19.394 4.478 3 HA3 GLY 1 2HA GLY 1 -15.431 -20.263 3.179 4 H SER 2 H SER 2 -15.853 -22.527 3.452 5 HA SER 2 HA SER 2 -16.494 -23.162 6.207 6 HB2 SER 2 1HB SER 2 -17.214 -24.335 3.541 7 HB3 SER 2 2HB SER 2 -17.467 -25.276 5.010 8 HG SER 2 HG SER 2 -19.290 -23.969 4.346 9 H SER 3 H SER 3 -14.606 -24.599 3.563 10 HA SER 3 HA SER 3 -13.610 -26.745 5.160 11 HB2 SER 3 1HB SER 3 -12.064 -27.124 3.240 12 HB3 SER 3 2HB SER 3 -13.755 -27.011 2.753 13 HG SER 3 HG SER 3 -13.388 -24.941 2.018 14 H GLY 4 H GLY 4 -12.085 -23.798 3.850 15 HA2 GLY 4 1HA GLY 4 -10.659 -22.408 5.176 16 HA3 GLY 4 2HA GLY 4 -10.288 -23.805 6.177 17 H SER 5 H SER 5 -9.467 -22.008 3.352 18 HA SER 5 HA SER 5 -7.970 -23.571 1.771 19 HB2 SER 5 1HB SER 5 -7.390 -20.817 2.833 20 HB3 SER 5 2HB SER 5 -6.274 -21.602 1.715 21 HG SER 5 HG SER 5 -8.607 -20.378 1.192 22 H SER 6 H SER 6 -6.577 -25.145 2.163 23 HA SER 6 HA SER 6 -4.745 -24.871 4.454 24 HB2 SER 6 1HB SER 6 -6.300 -26.733 4.743 25 HB3 SER 6 2HB SER 6 -5.833 -27.390 3.173 26 HG SER 6 HG SER 6 -4.230 -28.328 4.132 27 H GLY 7 H GLY 7 -2.610 -24.906 4.087 28 HA2 GLY 7 1HA GLY 7 -0.817 -26.067 2.755 29 HA3 GLY 7 2HA GLY 7 -1.726 -25.551 1.343 30 H ASP 8 H ASP 8 1.054 -24.967 2.325 31 HA ASP 8 HA ASP 8 0.896 -22.067 1.949 32 HB2 ASP 8 1HB ASP 8 1.142 -22.375 4.353 33 HB3 ASP 8 2HB ASP 8 2.526 -23.433 4.101 34 H ILE 9 H ILE 9 2.084 -21.540 0.250 35 HA ILE 9 HA ILE 9 4.089 -23.362 -0.767 36 HB ILE 9 HB ILE 9 3.187 -20.682 -1.831 37 HG12 ILE 9 1HG1 ILE 9 2.514 -23.402 -2.941 38 HG13 ILE 9 2HG1 ILE 9 1.509 -22.627 -1.722 39 HG21 ILE 9 1HG2 ILE 9 4.647 -20.877 -3.525 40 HG22 ILE 9 2HG2 ILE 9 5.512 -21.954 -2.428 41 HG23 ILE 9 3HG2 ILE 9 4.427 -22.623 -3.647 42 HD11 ILE 9 1HD1 ILE 9 2.021 -20.778 -3.834 43 HD12 ILE 9 2HD1 ILE 9 1.423 -22.296 -4.506 44 HD13 ILE 9 3HD1 ILE 9 0.487 -21.443 -3.279 45 H VAL 10 H VAL 10 6.251 -23.115 -0.696 46 HA VAL 10 HA VAL 10 7.294 -20.685 0.611 47 HB VAL 10 HB VAL 10 7.512 -22.703 2.021 48 HG11 VAL 10 1HG1 VAL 10 9.375 -24.317 1.197 49 HG12 VAL 10 2HG1 VAL 10 7.723 -24.525 0.614 50 HG13 VAL 10 3HG1 VAL 10 8.925 -23.730 -0.404 51 HG21 VAL 10 1HG2 VAL 10 9.881 -21.216 1.003 52 HG22 VAL 10 2HG2 VAL 10 9.133 -21.190 2.599 53 HG23 VAL 10 3HG2 VAL 10 10.141 -22.555 2.121 54 H ALA 11 H ALA 11 9.155 -19.753 -0.195 55 HA ALA 11 HA ALA 11 10.788 -20.911 -2.195 56 HB1 ALA 11 1HB ALA 11 9.950 -18.941 -3.850 57 HB2 ALA 11 2HB ALA 11 9.399 -20.615 -3.937 58 HB3 ALA 11 3HB ALA 11 8.427 -19.409 -3.092 59 H ARG 12 H ARG 12 12.664 -20.074 -1.575 60 HA ARG 12 HA ARG 12 13.076 -17.797 -0.072 61 HB2 ARG 12 1HB ARG 12 15.423 -17.923 -0.766 62 HB3 ARG 12 2HB ARG 12 14.785 -19.516 -0.388 63 HG2 ARG 12 1HG ARG 12 14.565 -20.036 -2.730 64 HG3 ARG 12 2HG ARG 12 15.059 -18.401 -3.169 65 HD2 ARG 12 1HD ARG 12 17.020 -19.598 -3.442 66 HD3 ARG 12 2HD ARG 12 17.197 -18.952 -1.811 67 HE ARG 12 HE ARG 12 16.024 -21.395 -1.465 68 HH11 ARG 12 1HH1 ARG 12 18.930 -20.240 -2.996 69 HH12 ARG 12 2HH1 ARG 12 19.821 -21.696 -2.698 70 HH21 ARG 12 1HH2 ARG 12 17.188 -23.316 -1.065 71 HH22 ARG 12 2HH2 ARG 12 18.829 -23.444 -1.600 72 H LEU 13 H LEU 13 14.546 -15.916 -0.898 73 HA LEU 13 HA LEU 13 13.279 -14.804 -3.315 74 HB2 LEU 13 1HB LEU 13 13.715 -12.575 -2.280 75 HB3 LEU 13 2HB LEU 13 12.529 -13.568 -1.436 76 HG LEU 13 HG LEU 13 15.368 -13.565 -0.506 77 HD11 LEU 13 1HD1 LEU 13 15.245 -11.563 0.574 78 HD12 LEU 13 2HD1 LEU 13 13.484 -11.580 0.649 79 HD13 LEU 13 3HD1 LEU 13 14.297 -11.176 -0.863 80 HD21 LEU 13 1HD2 LEU 13 12.693 -14.284 0.528 81 HD22 LEU 13 2HD2 LEU 13 13.828 -13.588 1.683 82 HD23 LEU 13 3HD2 LEU 13 14.259 -15.050 0.794 83 H GLN 14 H GLN 14 14.576 -14.285 -4.951 84 HA GLN 14 HA GLN 14 17.377 -14.760 -4.810 85 HB2 GLN 14 1HB GLN 14 17.402 -13.946 -7.147 86 HB3 GLN 14 2HB GLN 14 16.176 -15.175 -6.870 87 HG2 GLN 14 1HG GLN 14 14.556 -13.226 -6.546 88 HG3 GLN 14 2HG GLN 14 15.816 -12.230 -7.274 89 HE21 GLN 14 1HE2 GLN 14 15.139 -11.781 -9.253 90 HE22 GLN 14 2HE2 GLN 14 14.577 -12.931 -10.413 91 H THR 15 H THR 15 15.426 -11.810 -5.138 92 HA THR 15 HA THR 15 17.457 -10.275 -3.780 93 HB THR 15 HB THR 15 17.465 -8.537 -5.677 94 HG1 THR 15 HG1 THR 15 17.208 -9.562 -7.770 95 HG21 THR 15 1HG2 THR 15 19.386 -9.997 -4.983 96 HG22 THR 15 2HG2 THR 15 19.409 -9.507 -6.678 97 HG23 THR 15 3HG2 THR 15 18.891 -11.135 -6.236 98 H GLN 16 H GLN 16 16.725 -7.791 -4.009 99 HA GLN 16 HA GLN 16 14.505 -7.390 -2.518 100 HB2 GLN 16 1HB GLN 16 15.773 -5.658 -4.619 101 HB3 GLN 16 2HB GLN 16 14.355 -5.107 -3.737 102 HG2 GLN 16 1HG GLN 16 16.681 -6.130 -2.196 103 HG3 GLN 16 2HG GLN 16 16.780 -4.529 -2.927 104 HE21 GLN 16 1HE2 GLN 16 15.397 -6.456 -0.444 105 HE22 GLN 16 2HE2 GLN 16 14.555 -5.190 0.376 106 H ALA 17 H ALA 17 12.336 -7.261 -2.775 107 HA ALA 17 HA ALA 17 11.284 -7.883 -5.456 108 HB1 ALA 17 1HB ALA 17 10.966 -9.582 -3.608 109 HB2 ALA 17 2HB ALA 17 9.864 -8.423 -2.862 110 HB3 ALA 17 3HB ALA 17 9.508 -9.075 -4.462 111 H SER 18 H SER 18 9.328 -6.884 -6.123 112 HA SER 18 HA SER 18 8.425 -4.580 -4.562 113 HB2 SER 18 1HB SER 18 8.422 -3.251 -6.770 114 HB3 SER 18 2HB SER 18 9.971 -3.479 -5.959 115 HG SER 18 HG SER 18 9.165 -5.374 -7.851 116 H ALA 19 H ALA 19 6.278 -4.418 -4.546 117 HA ALA 19 HA ALA 19 4.760 -5.782 -6.674 118 HB1 ALA 19 1HB ALA 19 4.583 -7.086 -4.662 119 HB2 ALA 19 2HB ALA 19 4.128 -5.659 -3.729 120 HB3 ALA 19 3HB ALA 19 3.038 -6.290 -4.964 121 H THR 20 H THR 20 2.408 -4.991 -6.703 122 HA THR 20 HA THR 20 2.205 -2.135 -6.072 123 HB THR 20 HB THR 20 1.022 -1.928 -8.387 124 HG1 THR 20 HG1 THR 20 2.382 -4.365 -8.559 125 HG21 THR 20 1HG2 THR 20 3.821 -1.699 -7.584 126 HG22 THR 20 2HG2 THR 20 2.800 -0.563 -8.466 127 HG23 THR 20 3HG2 THR 20 3.606 -1.875 -9.325 128 H VAL 21 H VAL 21 -0.005 -1.318 -6.160 129 HA VAL 21 HA VAL 21 -2.058 -3.413 -5.952 130 HB VAL 21 HB VAL 21 -1.475 -2.873 -3.676 131 HG11 VAL 21 1HG1 VAL 21 -0.545 -0.579 -4.347 132 HG12 VAL 21 2HG1 VAL 21 -2.199 0.001 -4.142 133 HG13 VAL 21 3HG1 VAL 21 -1.340 -0.720 -2.780 134 HG21 VAL 21 1HG2 VAL 21 -3.782 -1.451 -3.243 135 HG22 VAL 21 2HG2 VAL 21 -4.077 -2.198 -4.813 136 HG23 VAL 21 3HG2 VAL 21 -3.675 -3.202 -3.420 137 H ALA 22 H ALA 22 -3.350 -2.998 -7.631 138 HA ALA 22 HA ALA 22 -3.722 -0.458 -8.804 139 HB1 ALA 22 1HB ALA 22 -5.532 -1.528 -10.074 140 HB2 ALA 22 2HB ALA 22 -4.061 -2.502 -10.064 141 HB3 ALA 22 3HB ALA 22 -5.416 -2.942 -9.026 142 H ILE 23 H ILE 23 -4.772 1.211 -7.966 143 HA ILE 23 HA ILE 23 -7.360 0.786 -6.688 144 HB ILE 23 HB ILE 23 -6.664 2.494 -4.899 145 HG12 ILE 23 1HG1 ILE 23 -3.926 1.418 -5.605 146 HG13 ILE 23 2HG1 ILE 23 -4.487 3.039 -6.001 147 HG21 ILE 23 1HG2 ILE 23 -6.672 -0.290 -4.978 148 HG22 ILE 23 2HG2 ILE 23 -5.184 0.140 -4.135 149 HG23 ILE 23 3HG2 ILE 23 -6.735 0.733 -3.543 150 HD11 ILE 23 1HD1 ILE 23 -3.120 2.329 -3.749 151 HD12 ILE 23 2HD1 ILE 23 -4.085 3.793 -3.947 152 HD13 ILE 23 3HD1 ILE 23 -4.789 2.368 -3.185 153 HA PRO 24 HA PRO 24 -8.506 4.446 -8.823 154 HB2 PRO 24 1HB PRO 24 -10.370 5.484 -7.145 155 HB3 PRO 24 2HB PRO 24 -10.658 4.041 -8.124 156 HG2 PRO 24 1HG PRO 24 -9.898 4.250 -5.236 157 HG3 PRO 24 2HG PRO 24 -11.090 3.186 -6.006 158 HD2 PRO 24 1HD PRO 24 -8.614 2.338 -5.309 159 HD3 PRO 24 2HD PRO 24 -9.483 1.693 -6.717 160 H LYS 25 H LYS 25 -7.825 6.509 -9.017 161 HA LYS 25 HA LYS 25 -5.883 7.602 -7.397 162 HB2 LYS 25 1HB LYS 25 -7.852 9.116 -9.123 163 HB3 LYS 25 2HB LYS 25 -6.309 9.729 -8.544 164 HG2 LYS 25 1HG LYS 25 -6.673 7.386 -10.401 165 HG3 LYS 25 2HG LYS 25 -6.198 9.018 -10.879 166 HD2 LYS 25 1HD LYS 25 -4.657 7.237 -8.991 167 HD3 LYS 25 2HD LYS 25 -4.272 7.489 -10.696 168 HE2 LYS 25 1HE LYS 25 -2.884 9.046 -9.792 169 HE3 LYS 25 2HE LYS 25 -4.338 10.033 -9.931 170 HZ1 LYS 25 1HZ LYS 25 -4.798 9.151 -7.560 171 HZ2 LYS 25 2HZ LYS 25 -3.692 10.412 -7.773 172 HZ3 LYS 25 3HZ LYS 25 -3.137 8.833 -7.529 173 H GLU 26 H GLU 26 -9.240 7.438 -6.831 174 HA GLU 26 HA GLU 26 -9.468 9.728 -5.133 175 HB2 GLU 26 1HB GLU 26 -11.671 9.080 -4.777 176 HB3 GLU 26 2HB GLU 26 -11.335 8.426 -6.376 177 HG2 GLU 26 1HG GLU 26 -10.654 6.297 -4.972 178 HG3 GLU 26 2HG GLU 26 -11.750 7.021 -3.797 179 H HIS 27 H HIS 27 -8.680 6.345 -4.679 180 HA HIS 27 HA HIS 27 -8.757 6.548 -1.790 181 HB2 HIS 27 1HB HIS 27 -7.877 4.305 -3.618 182 HB3 HIS 27 2HB HIS 27 -7.952 4.191 -1.862 183 HD1 HIS 27 HD1 HIS 27 -9.622 2.276 -3.527 184 HD2 HIS 27 HD2 HIS 27 -11.020 5.947 -2.173 185 HE1 HIS 27 HE1 HIS 27 -12.128 2.071 -3.499 186 H HIS 28 H HIS 28 -6.559 7.265 -4.235 187 HA HIS 28 HA HIS 28 -4.108 6.537 -3.058 188 HB2 HIS 28 1HB HIS 28 -4.937 8.537 -5.126 189 HB3 HIS 28 2HB HIS 28 -3.297 8.593 -4.488 190 HD2 HIS 28 HD2 HIS 28 -5.192 5.261 -5.411 191 HE1 HIS 28 HE1 HIS 28 -1.769 5.670 -7.885 192 HE2 HIS 28 HE2 HIS 28 -3.742 4.224 -7.287 193 H ARG 29 H ARG 29 -6.063 9.477 -2.806 194 HA ARG 29 HA ARG 29 -4.223 10.942 -1.236 195 HB2 ARG 29 1HB ARG 29 -6.097 12.428 -0.756 196 HB3 ARG 29 2HB ARG 29 -6.069 12.003 -2.461 197 HG2 ARG 29 1HG ARG 29 -7.974 10.728 -2.318 198 HG3 ARG 29 2HG ARG 29 -7.758 10.410 -0.596 199 HD2 ARG 29 1HD ARG 29 -9.462 11.922 -0.488 200 HD3 ARG 29 2HD ARG 29 -8.089 13.027 -0.438 201 HE ARG 29 HE ARG 29 -9.057 12.480 -3.092 202 HH11 ARG 29 1HH1 ARG 29 -9.395 14.486 -0.268 203 HH12 ARG 29 2HH1 ARG 29 -10.103 15.810 -1.131 204 HH21 ARG 29 1HH2 ARG 29 -9.988 14.217 -4.242 205 HH22 ARG 29 2HH2 ARG 29 -10.441 15.655 -3.392 206 H PHE 30 H PHE 30 -6.336 8.353 -0.504 207 HA PHE 30 HA PHE 30 -6.603 8.945 2.302 208 HB2 PHE 30 1HB PHE 30 -7.416 6.696 0.507 209 HB3 PHE 30 2HB PHE 30 -7.370 6.419 2.245 210 HD1 PHE 30 HD1 PHE 30 -8.842 7.700 3.743 211 HD2 PHE 30 HD2 PHE 30 -9.111 8.028 -0.492 212 HE1 PHE 30 HE1 PHE 30 -11.068 8.726 3.968 213 HE2 PHE 30 HE2 PHE 30 -11.337 9.054 -0.274 214 HZ PHE 30 HZ PHE 30 -12.317 9.405 1.958 215 H VAL 31 H VAL 31 -4.390 7.213 0.273 216 HA VAL 31 HA VAL 31 -3.186 5.728 2.439 217 HB VAL 31 HB VAL 31 -2.294 6.111 -0.421 218 HG11 VAL 31 1HG1 VAL 31 -1.284 4.037 1.506 219 HG12 VAL 31 2HG1 VAL 31 -0.631 4.481 -0.073 220 HG13 VAL 31 3HG1 VAL 31 -0.485 5.594 1.288 221 HG21 VAL 31 1HG2 VAL 31 -3.143 3.887 -0.797 222 HG22 VAL 31 2HG2 VAL 31 -3.569 3.722 0.907 223 HG23 VAL 31 3HG2 VAL 31 -4.425 4.882 -0.107 224 H ILE 32 H ILE 32 -2.588 8.695 0.679 225 HA ILE 32 HA ILE 32 0.059 9.105 1.658 226 HB ILE 32 HB ILE 32 -1.912 11.084 0.510 227 HG12 ILE 32 1HG1 ILE 32 0.490 9.842 -0.829 228 HG13 ILE 32 2HG1 ILE 32 -1.122 9.144 -0.940 229 HG21 ILE 32 1HG2 ILE 32 -0.408 12.429 1.648 230 HG22 ILE 32 2HG2 ILE 32 0.946 11.340 1.349 231 HG23 ILE 32 3HG2 ILE 32 0.308 12.332 0.039 232 HD11 ILE 32 1HD1 ILE 32 -0.908 10.398 -2.880 233 HD12 ILE 32 2HD1 ILE 32 -1.838 11.445 -1.806 234 HD13 ILE 32 3HD1 ILE 32 -0.115 11.734 -2.044 235 H GLY 33 H GLY 33 -3.141 10.311 2.610 236 HA2 GLY 33 1HA GLY 33 -3.446 10.446 5.085 237 HA3 GLY 33 2HA GLY 33 -1.908 11.298 5.110 238 H LYS 34 H LYS 34 -4.200 12.376 6.238 239 HA LYS 34 HA LYS 34 -5.901 13.956 4.901 240 HB2 LYS 34 1HB LYS 34 -5.259 13.853 7.454 241 HB3 LYS 34 2HB LYS 34 -4.318 15.285 7.062 242 HG2 LYS 34 1HG LYS 34 -6.396 16.319 6.156 243 HG3 LYS 34 2HG LYS 34 -7.290 14.921 6.760 244 HD2 LYS 34 1HD LYS 34 -6.977 15.505 8.966 245 HD3 LYS 34 2HD LYS 34 -5.507 16.421 8.624 246 HE2 LYS 34 1HE LYS 34 -7.100 17.998 7.317 247 HE3 LYS 34 2HE LYS 34 -8.369 17.225 8.265 248 HZ1 LYS 34 1HZ LYS 34 -5.975 18.477 9.485 249 HZ2 LYS 34 2HZ LYS 34 -7.388 17.970 10.265 250 HZ3 LYS 34 3HZ LYS 34 -7.426 19.311 9.234 251 H ASN 35 H ASN 35 -2.646 15.133 5.781 252 HA ASN 35 HA ASN 35 -2.786 16.946 3.464 253 HB2 ASN 35 1HB ASN 35 -1.248 17.214 6.055 254 HB3 ASN 35 2HB ASN 35 -1.084 18.313 4.688 255 HD21 ASN 35 1HD2 ASN 35 -3.055 17.304 7.333 256 HD22 ASN 35 2HD2 ASN 35 -4.219 18.576 7.228 257 H GLY 36 H GLY 36 -0.817 14.599 5.181 258 HA2 GLY 36 1HA GLY 36 0.443 13.353 3.208 259 HA3 GLY 36 2HA GLY 36 1.348 14.859 3.243 260 H GLU 37 H GLU 37 0.089 12.577 5.682 261 HA GLU 37 HA GLU 37 2.812 12.407 6.781 262 HB2 GLU 37 1HB GLU 37 0.412 12.356 8.581 263 HB3 GLU 37 2HB GLU 37 2.089 12.702 8.982 264 HG2 GLU 37 1HG GLU 37 1.679 14.758 7.380 265 HG3 GLU 37 2HG GLU 37 0.002 14.476 7.843 266 H LYS 38 H LYS 38 -0.411 10.938 6.646 267 HA LYS 38 HA LYS 38 -0.095 8.554 7.863 268 HB2 LYS 38 1HB LYS 38 -2.168 9.086 6.781 269 HB3 LYS 38 2HB LYS 38 -1.403 9.101 5.197 270 HG2 LYS 38 1HG LYS 38 -2.586 7.080 5.310 271 HG3 LYS 38 2HG LYS 38 -0.894 6.649 5.573 272 HD2 LYS 38 1HD LYS 38 -1.245 6.458 7.936 273 HD3 LYS 38 2HD LYS 38 -2.880 7.110 7.796 274 HE2 LYS 38 1HE LYS 38 -3.722 5.164 6.906 275 HE3 LYS 38 2HE LYS 38 -2.164 4.661 6.254 276 HZ1 LYS 38 1HZ LYS 38 -1.429 4.022 8.396 277 HZ2 LYS 38 2HZ LYS 38 -2.971 3.355 8.202 278 HZ3 LYS 38 3HZ LYS 38 -2.762 4.735 9.157 279 H LEU 39 H LEU 39 0.771 9.079 4.440 280 HA LEU 39 HA LEU 39 1.928 6.615 3.949 281 HB2 LEU 39 1HB LEU 39 1.660 7.853 2.046 282 HB3 LEU 39 2HB LEU 39 2.242 9.337 2.800 283 HG LEU 39 HG LEU 39 4.559 8.281 2.720 284 HD11 LEU 39 1HD1 LEU 39 3.190 6.466 0.741 285 HD12 LEU 39 2HD1 LEU 39 3.784 5.977 2.328 286 HD13 LEU 39 3HD1 LEU 39 4.917 6.531 1.095 287 HD21 LEU 39 1HD2 LEU 39 3.686 10.072 1.203 288 HD22 LEU 39 2HD2 LEU 39 3.258 8.805 0.053 289 HD23 LEU 39 3HD2 LEU 39 4.946 9.058 0.500 290 H GLN 40 H GLN 40 3.435 9.556 5.233 291 HA GLN 40 HA GLN 40 6.074 8.794 5.304 292 HB2 GLN 40 1HB GLN 40 4.669 10.294 7.518 293 HB3 GLN 40 2HB GLN 40 6.378 10.370 7.107 294 HG2 GLN 40 1HG GLN 40 4.099 11.330 5.391 295 HG3 GLN 40 2HG GLN 40 5.198 12.340 6.329 296 HE21 GLN 40 1HE2 GLN 40 7.601 11.112 5.808 297 HE22 GLN 40 2HE2 GLN 40 7.990 11.295 4.135 298 H ASP 41 H ASP 41 3.731 8.345 7.958 299 HA ASP 41 HA ASP 41 5.374 6.854 9.634 300 HB2 ASP 41 1HB ASP 41 3.035 7.855 10.078 301 HB3 ASP 41 2HB ASP 41 2.417 6.342 9.421 302 H LEU 42 H LEU 42 3.158 5.754 7.092 303 HA LEU 42 HA LEU 42 3.401 3.012 7.466 304 HB2 LEU 42 1HB LEU 42 2.734 4.771 5.170 305 HB3 LEU 42 2HB LEU 42 3.106 3.083 4.823 306 HG LEU 42 HG LEU 42 0.957 3.982 6.738 307 HD11 LEU 42 1HD1 LEU 42 -0.039 4.653 4.821 308 HD12 LEU 42 2HD1 LEU 42 -0.402 2.932 4.693 309 HD13 LEU 42 3HD1 LEU 42 0.960 3.613 3.805 310 HD21 LEU 42 1HD2 LEU 42 0.489 1.804 7.096 311 HD22 LEU 42 2HD2 LEU 42 2.184 1.588 6.659 312 HD23 LEU 42 3HD2 LEU 42 0.922 1.328 5.453 313 H GLU 43 H GLU 43 5.188 4.989 5.088 314 HA GLU 43 HA GLU 43 6.907 3.166 4.065 315 HB2 GLU 43 1HB GLU 43 7.199 6.061 4.712 316 HB3 GLU 43 2HB GLU 43 8.639 5.176 4.228 317 HG2 GLU 43 1HG GLU 43 7.525 4.501 2.157 318 HG3 GLU 43 2HG GLU 43 6.092 5.406 2.641 319 H LEU 44 H LEU 44 7.177 4.730 7.216 320 HA LEU 44 HA LEU 44 9.706 3.529 7.835 321 HB2 LEU 44 1HB LEU 44 7.682 5.101 9.383 322 HB3 LEU 44 2HB LEU 44 9.029 4.314 10.203 323 HG LEU 44 HG LEU 44 9.495 6.226 7.938 324 HD11 LEU 44 1HD1 LEU 44 8.708 7.912 9.145 325 HD12 LEU 44 2HD1 LEU 44 9.970 7.581 10.330 326 HD13 LEU 44 3HD1 LEU 44 8.375 6.851 10.514 327 HD21 LEU 44 1HD2 LEU 44 11.244 4.621 8.994 328 HD22 LEU 44 2HD2 LEU 44 11.237 5.777 10.326 329 HD23 LEU 44 3HD2 LEU 44 11.673 6.307 8.701 330 H LYS 45 H LYS 45 6.544 3.186 9.453 331 HA LYS 45 HA LYS 45 6.980 1.030 11.014 332 HB2 LYS 45 1HB LYS 45 4.800 2.332 10.600 333 HB3 LYS 45 2HB LYS 45 4.490 1.159 9.327 334 HG2 LYS 45 1HG LYS 45 4.291 -0.606 10.835 335 HG3 LYS 45 2HG LYS 45 5.101 0.284 12.126 336 HD2 LYS 45 1HD LYS 45 2.903 0.434 12.793 337 HD3 LYS 45 2HD LYS 45 3.075 1.921 11.858 338 HE2 LYS 45 1HE LYS 45 1.045 0.952 11.151 339 HE3 LYS 45 2HE LYS 45 2.209 0.609 9.872 340 HZ1 LYS 45 1HZ LYS 45 1.492 -1.301 12.029 341 HZ2 LYS 45 2HZ LYS 45 2.460 -1.613 10.677 342 HZ3 LYS 45 3HZ LYS 45 0.806 -1.313 10.482 343 H THR 46 H THR 46 6.516 0.980 7.528 344 HA THR 46 HA THR 46 6.840 -1.936 7.508 345 HB THR 46 HB THR 46 6.017 -1.941 5.275 346 HG1 THR 46 HG1 THR 46 6.353 0.884 5.387 347 HG21 THR 46 1HG2 THR 46 4.209 -1.759 6.793 348 HG22 THR 46 2HG2 THR 46 3.866 -0.608 5.502 349 HG23 THR 46 3HG2 THR 46 4.498 -0.038 7.046 350 H ALA 47 H ALA 47 8.553 0.957 6.955 351 HA ALA 47 HA ALA 47 10.641 1.425 6.175 352 HB1 ALA 47 1HB ALA 47 11.976 0.136 7.392 353 HB2 ALA 47 2HB ALA 47 10.784 -1.165 7.416 354 HB3 ALA 47 3HB ALA 47 11.938 -1.051 6.087 355 H THR 48 H THR 48 8.600 0.818 4.245 356 HA THR 48 HA THR 48 10.175 -0.429 2.092 357 HB THR 48 HB THR 48 8.017 -0.689 0.890 358 HG1 THR 48 HG1 THR 48 6.121 -0.459 2.386 359 HG21 THR 48 1HG2 THR 48 8.070 -1.911 3.652 360 HG22 THR 48 2HG2 THR 48 8.904 -2.535 2.230 361 HG23 THR 48 3HG2 THR 48 7.142 -2.510 2.278 362 H LYS 49 H LYS 49 9.488 0.486 -0.145 363 HA LYS 49 HA LYS 49 9.647 3.420 0.034 364 HB2 LYS 49 1HB LYS 49 11.604 2.297 -0.983 365 HB3 LYS 49 2HB LYS 49 10.552 1.605 -2.211 366 HG2 LYS 49 1HG LYS 49 11.450 3.417 -3.305 367 HG3 LYS 49 2HG LYS 49 9.925 4.072 -2.705 368 HD2 LYS 49 1HD LYS 49 11.382 5.736 -2.083 369 HD3 LYS 49 2HD LYS 49 11.393 4.734 -0.630 370 HE2 LYS 49 1HE LYS 49 13.484 3.830 -1.125 371 HE3 LYS 49 2HE LYS 49 13.381 4.283 -2.826 372 HZ1 LYS 49 1HZ LYS 49 13.637 6.589 -2.213 373 HZ2 LYS 49 2HZ LYS 49 14.924 5.690 -1.584 374 HZ3 LYS 49 3HZ LYS 49 13.667 6.192 -0.569 375 H ILE 50 H ILE 50 7.384 3.713 0.127 376 HA ILE 50 HA ILE 50 5.684 2.685 -1.952 377 HB ILE 50 HB ILE 50 5.141 4.779 0.156 378 HG12 ILE 50 1HG1 ILE 50 4.182 1.918 0.066 379 HG13 ILE 50 2HG1 ILE 50 5.660 2.396 0.894 380 HG21 ILE 50 1HG2 ILE 50 3.312 3.406 -1.801 381 HG22 ILE 50 2HG2 ILE 50 2.743 4.270 -0.374 382 HG23 ILE 50 3HG2 ILE 50 3.619 5.135 -1.638 383 HD11 ILE 50 1HD1 ILE 50 2.846 3.231 1.530 384 HD12 ILE 50 2HD1 ILE 50 3.945 2.267 2.517 385 HD13 ILE 50 3HD1 ILE 50 4.273 3.979 2.250 386 H GLN 51 H GLN 51 5.479 3.516 -3.914 387 HA GLN 51 HA GLN 51 6.027 6.386 -4.293 388 HB2 GLN 51 1HB GLN 51 6.918 4.005 -5.835 389 HB3 GLN 51 2HB GLN 51 6.513 5.452 -6.748 390 HG2 GLN 51 1HG GLN 51 8.080 6.658 -5.091 391 HG3 GLN 51 2HG GLN 51 8.680 5.039 -4.734 392 HE21 GLN 51 1HE2 GLN 51 8.466 7.565 -7.098 393 HE22 GLN 51 2HE2 GLN 51 9.625 6.915 -8.202 394 H ILE 52 H ILE 52 4.191 7.421 -4.681 395 HA ILE 52 HA ILE 52 1.994 6.027 -6.016 396 HB ILE 52 HB ILE 52 2.033 8.716 -4.641 397 HG12 ILE 52 1HG1 ILE 52 0.625 6.228 -3.698 398 HG13 ILE 52 2HG1 ILE 52 2.303 6.543 -3.268 399 HG21 ILE 52 1HG2 ILE 52 -0.404 7.171 -5.472 400 HG22 ILE 52 2HG2 ILE 52 -0.283 8.859 -4.977 401 HG23 ILE 52 3HG2 ILE 52 0.365 8.349 -6.536 402 HD11 ILE 52 1HD1 ILE 52 0.082 7.382 -1.888 403 HD12 ILE 52 2HD1 ILE 52 1.721 8.007 -1.704 404 HD13 ILE 52 3HD1 ILE 52 0.581 8.824 -2.774 405 HA PRO 53 HA PRO 53 2.788 8.030 -9.867 406 HB2 PRO 53 1HB PRO 53 0.355 7.646 -11.007 407 HB3 PRO 53 2HB PRO 53 1.541 6.350 -10.816 408 HG2 PRO 53 1HG PRO 53 -0.849 6.996 -9.133 409 HG3 PRO 53 2HG PRO 53 -0.267 5.416 -9.689 410 HD2 PRO 53 1HD PRO 53 0.192 6.338 -7.185 411 HD3 PRO 53 2HD PRO 53 1.338 5.286 -8.040 412 H ARG 54 H ARG 54 2.335 9.946 -10.963 413 HA ARG 54 HA ARG 54 1.358 12.088 -9.440 414 HB2 ARG 54 1HB ARG 54 1.930 11.800 -12.385 415 HB3 ARG 54 2HB ARG 54 1.399 13.318 -11.673 416 HG2 ARG 54 1HG ARG 54 3.643 13.641 -11.604 417 HG3 ARG 54 2HG ARG 54 3.426 12.847 -10.043 418 HD2 ARG 54 1HD ARG 54 4.279 10.827 -10.812 419 HD3 ARG 54 2HD ARG 54 3.987 11.236 -12.503 420 HE ARG 54 HE ARG 54 5.913 12.940 -11.221 421 HH11 ARG 54 1HH1 ARG 54 5.427 9.936 -12.913 422 HH12 ARG 54 2HH1 ARG 54 7.065 9.834 -13.470 423 HH21 ARG 54 1HH2 ARG 54 8.072 12.817 -11.947 424 HH22 ARG 54 2HH2 ARG 54 8.568 11.473 -12.919 425 HA PRO 55 HA PRO 55 -2.985 12.107 -10.069 426 HB2 PRO 55 1HB PRO 55 -3.504 14.770 -10.171 427 HB3 PRO 55 2HB PRO 55 -3.062 13.934 -8.678 428 HG2 PRO 55 1HG PRO 55 -1.351 15.568 -10.511 429 HG3 PRO 55 2HG PRO 55 -1.401 15.560 -8.739 430 HD2 PRO 55 1HD PRO 55 0.507 14.253 -10.147 431 HD3 PRO 55 2HD PRO 55 -0.097 13.665 -8.583 432 H ASP 56 H ASP 56 -0.857 13.314 -12.426 433 HA ASP 56 HA ASP 56 -3.027 13.755 -14.355 434 HB2 ASP 56 1HB ASP 56 -0.096 14.344 -14.771 435 HB3 ASP 56 2HB ASP 56 -1.462 14.947 -15.705 436 H ASP 57 H ASP 57 -0.519 11.575 -13.486 437 HA ASP 57 HA ASP 57 -0.242 10.323 -16.049 438 HB2 ASP 57 1HB ASP 57 1.356 10.333 -13.932 439 HB3 ASP 57 2HB ASP 57 0.444 8.882 -13.526 440 HA PRO 58 HA PRO 58 -3.819 7.756 -15.961 441 HB2 PRO 58 1HB PRO 58 -3.005 5.855 -17.720 442 HB3 PRO 58 2HB PRO 58 -3.487 7.481 -18.218 443 HG2 PRO 58 1HG PRO 58 -0.741 6.360 -17.810 444 HG3 PRO 58 2HG PRO 58 -1.342 7.402 -19.114 445 HD2 PRO 58 1HD PRO 58 0.092 8.360 -17.027 446 HD3 PRO 58 2HD PRO 58 -1.168 9.313 -17.837 447 H SER 59 H SER 59 -0.898 6.956 -14.597 448 HA SER 59 HA SER 59 -1.559 4.185 -14.004 449 HB2 SER 59 1HB SER 59 0.826 5.937 -13.471 450 HB3 SER 59 2HB SER 59 0.629 4.405 -12.621 451 HG SER 59 HG SER 59 0.214 3.703 -15.011 452 H ASN 60 H ASN 60 -2.945 3.773 -12.424 453 HA ASN 60 HA ASN 60 -2.953 5.533 -10.061 454 HB2 ASN 60 1HB ASN 60 -5.291 4.783 -9.708 455 HB3 ASN 60 2HB ASN 60 -5.073 5.615 -11.246 456 HD21 ASN 60 1HD2 ASN 60 -6.651 3.174 -9.897 457 HD22 ASN 60 2HD2 ASN 60 -6.768 2.083 -11.232 458 H GLN 61 H GLN 61 -1.268 3.140 -10.640 459 HA GLN 61 HA GLN 61 -2.183 1.372 -8.473 460 HB2 GLN 61 1HB GLN 61 -0.687 -0.325 -9.436 461 HB3 GLN 61 2HB GLN 61 -1.885 0.225 -10.600 462 HG2 GLN 61 1HG GLN 61 0.006 1.875 -11.323 463 HG3 GLN 61 2HG GLN 61 1.054 0.694 -10.540 464 HE21 GLN 61 1HE2 GLN 61 -0.057 -1.665 -11.152 465 HE22 GLN 61 2HE2 GLN 61 -0.065 -1.919 -12.860 466 H ILE 62 H ILE 62 -1.161 1.507 -6.597 467 HA ILE 62 HA ILE 62 1.170 3.137 -6.280 468 HB ILE 62 HB ILE 62 -0.444 1.448 -4.391 469 HG12 ILE 62 1HG1 ILE 62 0.181 4.406 -4.390 470 HG13 ILE 62 2HG1 ILE 62 -1.248 3.705 -5.141 471 HG21 ILE 62 1HG2 ILE 62 2.160 2.850 -3.835 472 HG22 ILE 62 2HG2 ILE 62 1.025 2.371 -2.575 473 HG23 ILE 62 3HG2 ILE 62 1.776 1.146 -3.597 474 HD11 ILE 62 1HD1 ILE 62 -0.654 4.220 -2.321 475 HD12 ILE 62 2HD1 ILE 62 -2.199 4.158 -3.170 476 HD13 ILE 62 3HD1 ILE 62 -1.416 2.665 -2.652 477 H LYS 63 H LYS 63 3.227 2.497 -5.546 478 HA LYS 63 HA LYS 63 3.898 -0.307 -6.149 479 HB2 LYS 63 1HB LYS 63 4.867 1.360 -7.711 480 HB3 LYS 63 2HB LYS 63 5.690 2.119 -6.355 481 HG2 LYS 63 1HG LYS 63 6.920 0.027 -5.957 482 HG3 LYS 63 2HG LYS 63 6.128 -0.683 -7.366 483 HD2 LYS 63 1HD LYS 63 7.083 1.498 -8.534 484 HD3 LYS 63 2HD LYS 63 8.253 1.391 -7.216 485 HE2 LYS 63 1HE LYS 63 9.286 0.134 -8.845 486 HE3 LYS 63 2HE LYS 63 8.417 -1.109 -7.947 487 HZ1 LYS 63 1HZ LYS 63 7.525 0.165 -10.477 488 HZ2 LYS 63 2HZ LYS 63 6.639 -0.979 -9.601 489 HZ3 LYS 63 3HZ LYS 63 8.115 -1.412 -10.307 490 H ILE 64 H ILE 64 5.092 -1.469 -4.709 491 HA ILE 64 HA ILE 64 6.080 -0.101 -2.308 492 HB ILE 64 HB ILE 64 5.261 -2.385 -1.171 493 HG12 ILE 64 1HG1 ILE 64 3.187 -1.789 -3.293 494 HG13 ILE 64 2HG1 ILE 64 4.211 -3.218 -3.234 495 HG21 ILE 64 1HG2 ILE 64 4.760 0.142 -0.730 496 HG22 ILE 64 2HG2 ILE 64 3.211 -0.239 -1.482 497 HG23 ILE 64 3HG2 ILE 64 3.724 -1.104 -0.033 498 HD11 ILE 64 1HD1 ILE 64 2.871 -2.994 -0.748 499 HD12 ILE 64 2HD1 ILE 64 1.686 -2.806 -2.040 500 HD13 ILE 64 3HD1 ILE 64 2.709 -4.241 -1.984 501 H THR 65 H THR 65 8.179 -0.503 -2.182 502 HA THR 65 HA THR 65 9.148 -3.182 -2.938 503 HB THR 65 HB THR 65 10.598 -0.543 -3.226 504 HG1 THR 65 HG1 THR 65 8.880 -1.472 -4.814 505 HG21 THR 65 1HG2 THR 65 12.217 -2.191 -2.634 506 HG22 THR 65 2HG2 THR 65 12.320 -1.974 -4.382 507 HG23 THR 65 3HG2 THR 65 11.493 -3.381 -3.715 508 H GLY 66 H GLY 66 10.836 -4.083 -1.696 509 HA2 GLY 66 1HA GLY 66 12.409 -3.196 0.243 510 HA3 GLY 66 2HA GLY 66 10.855 -3.127 1.062 511 H THR 67 H THR 67 11.241 -4.692 2.575 512 HA THR 67 HA THR 67 12.283 -7.273 1.827 513 HB THR 67 HB THR 67 11.856 -7.880 4.202 514 HG1 THR 67 HG1 THR 67 11.168 -5.178 4.663 515 HG21 THR 67 1HG2 THR 67 13.992 -6.897 3.596 516 HG22 THR 67 2HG2 THR 67 13.488 -6.300 5.177 517 HG23 THR 67 3HG2 THR 67 13.318 -5.276 3.752 518 H LYS 68 H LYS 68 11.115 -9.286 2.433 519 HA LYS 68 HA LYS 68 8.638 -9.441 1.101 520 HB2 LYS 68 1HB LYS 68 10.336 -11.298 2.677 521 HB3 LYS 68 2HB LYS 68 8.646 -11.742 2.485 522 HG2 LYS 68 1HG LYS 68 10.418 -11.037 0.164 523 HG3 LYS 68 2HG LYS 68 10.246 -12.682 0.782 524 HD2 LYS 68 1HD LYS 68 7.879 -11.014 -0.032 525 HD3 LYS 68 2HD LYS 68 8.761 -12.024 -1.180 526 HE2 LYS 68 1HE LYS 68 8.383 -13.879 0.626 527 HE3 LYS 68 2HE LYS 68 7.077 -12.820 1.155 528 HZ1 LYS 68 1HZ LYS 68 6.702 -14.667 -0.656 529 HZ2 LYS 68 2HZ LYS 68 7.254 -13.453 -1.696 530 HZ3 LYS 68 3HZ LYS 68 5.889 -13.184 -0.732 531 H GLU 69 H GLU 69 9.469 -8.780 4.391 532 HA GLU 69 HA GLU 69 6.756 -9.278 5.335 533 HB2 GLU 69 1HB GLU 69 9.272 -8.402 6.756 534 HB3 GLU 69 2HB GLU 69 7.712 -8.562 7.551 535 HG2 GLU 69 1HG GLU 69 9.251 -10.767 6.201 536 HG3 GLU 69 2HG GLU 69 9.086 -10.517 7.938 537 H GLY 70 H GLY 70 8.962 -6.606 4.705 538 HA2 GLY 70 1HA GLY 70 7.408 -4.552 5.856 539 HA3 GLY 70 2HA GLY 70 8.627 -4.337 4.610 540 H ILE 71 H ILE 71 7.715 -5.482 2.426 541 HA ILE 71 HA ILE 71 5.818 -3.733 1.406 542 HB ILE 71 HB ILE 71 6.463 -6.506 0.399 543 HG12 ILE 71 1HG1 ILE 71 7.600 -3.867 -0.527 544 HG13 ILE 71 2HG1 ILE 71 8.390 -4.880 0.676 545 HG21 ILE 71 1HG2 ILE 71 5.831 -5.148 -1.809 546 HG22 ILE 71 2HG2 ILE 71 4.638 -6.038 -0.862 547 HG23 ILE 71 3HG2 ILE 71 4.805 -4.295 -0.657 548 HD11 ILE 71 1HD1 ILE 71 8.741 -6.614 -0.894 549 HD12 ILE 71 2HD1 ILE 71 7.687 -5.843 -2.080 550 HD13 ILE 71 3HD1 ILE 71 9.237 -5.110 -1.668 551 H GLU 72 H GLU 72 5.380 -7.063 2.563 552 HA GLU 72 HA GLU 72 2.707 -7.416 1.962 553 HB2 GLU 72 1HB GLU 72 4.480 -8.470 4.131 554 HB3 GLU 72 2HB GLU 72 2.758 -8.824 4.180 555 HG2 GLU 72 1HG GLU 72 2.931 -9.785 1.910 556 HG3 GLU 72 2HG GLU 72 4.673 -9.518 1.966 557 H LYS 73 H LYS 73 4.124 -5.959 4.873 558 HA LYS 73 HA LYS 73 1.774 -5.482 6.284 559 HB2 LYS 73 1HB LYS 73 4.465 -4.169 6.240 560 HB3 LYS 73 2HB LYS 73 3.167 -3.450 7.185 561 HG2 LYS 73 1HG LYS 73 3.029 -5.289 8.614 562 HG3 LYS 73 2HG LYS 73 3.907 -6.337 7.498 563 HD2 LYS 73 1HD LYS 73 5.496 -5.861 9.123 564 HD3 LYS 73 2HD LYS 73 5.865 -4.686 7.860 565 HE2 LYS 73 1HE LYS 73 5.917 -3.472 9.874 566 HE3 LYS 73 2HE LYS 73 4.368 -3.075 9.132 567 HZ1 LYS 73 1HZ LYS 73 3.890 -3.498 11.364 568 HZ2 LYS 73 2HZ LYS 73 4.891 -4.860 11.432 569 HZ3 LYS 73 3HZ LYS 73 3.436 -4.923 10.572 570 H ALA 74 H ALA 74 3.522 -3.248 4.123 571 HA ALA 74 HA ALA 74 1.619 -1.182 4.226 572 HB1 ALA 74 1HB ALA 74 2.713 -0.600 1.928 573 HB2 ALA 74 2HB ALA 74 3.656 -0.480 3.415 574 HB3 ALA 74 3HB ALA 74 3.843 -1.883 2.363 575 H ARG 75 H ARG 75 1.900 -4.021 2.169 576 HA ARG 75 HA ARG 75 -0.083 -3.265 0.288 577 HB2 ARG 75 1HB ARG 75 1.745 -5.153 0.212 578 HB3 ARG 75 2HB ARG 75 0.474 -6.133 0.932 579 HG2 ARG 75 1HG ARG 75 -0.956 -5.195 -1.048 580 HG3 ARG 75 2HG ARG 75 0.626 -4.918 -1.781 581 HD2 ARG 75 1HD ARG 75 0.110 -7.572 -0.552 582 HD3 ARG 75 2HD ARG 75 -0.698 -7.204 -2.075 583 HE ARG 75 HE ARG 75 1.830 -6.551 -2.639 584 HH11 ARG 75 1HH1 ARG 75 0.472 -9.363 -1.101 585 HH12 ARG 75 2HH1 ARG 75 1.714 -10.431 -1.663 586 HH21 ARG 75 1HH2 ARG 75 3.472 -7.946 -3.384 587 HH22 ARG 75 2HH2 ARG 75 3.422 -9.625 -2.961 588 H HIS 76 H HIS 76 -0.167 -5.152 3.277 589 HA HIS 76 HA HIS 76 -2.901 -5.897 3.060 590 HB2 HIS 76 1HB HIS 76 -1.181 -7.053 4.485 591 HB3 HIS 76 2HB HIS 76 -1.263 -5.685 5.592 592 HD1 HIS 76 HD1 HIS 76 -3.807 -8.047 4.008 593 HD2 HIS 76 HD2 HIS 76 -2.941 -6.207 7.631 594 HE1 HIS 76 HE1 HIS 76 -5.572 -8.850 5.608 595 H GLU 77 H GLU 77 -1.246 -3.084 4.252 596 HA GLU 77 HA GLU 77 -3.541 -2.067 5.680 597 HB2 GLU 77 1HB GLU 77 -0.844 -0.890 5.016 598 HB3 GLU 77 2HB GLU 77 -2.095 0.009 5.865 599 HG2 GLU 77 1HG GLU 77 -0.920 -2.593 6.815 600 HG3 GLU 77 2HG GLU 77 -0.400 -0.997 7.354 601 H VAL 78 H VAL 78 -1.751 -1.178 2.736 602 HA VAL 78 HA VAL 78 -3.369 0.963 1.954 603 HB VAL 78 HB VAL 78 -1.111 0.229 0.982 604 HG11 VAL 78 1HG1 VAL 78 -2.851 -1.328 -0.916 605 HG12 VAL 78 2HG1 VAL 78 -1.089 -1.253 -0.865 606 HG13 VAL 78 3HG1 VAL 78 -1.975 -2.077 0.419 607 HG21 VAL 78 1HG2 VAL 78 -3.267 1.028 -0.970 608 HG22 VAL 78 2HG2 VAL 78 -2.494 2.127 0.172 609 HG23 VAL 78 3HG2 VAL 78 -1.539 1.362 -1.098 610 H LEU 79 H LEU 79 -3.689 -2.499 1.392 611 HA LEU 79 HA LEU 79 -5.851 -2.284 -0.454 612 HB2 LEU 79 1HB LEU 79 -4.582 -4.488 1.100 613 HB3 LEU 79 2HB LEU 79 -6.162 -4.762 0.369 614 HG LEU 79 HG LEU 79 -3.808 -3.813 -1.240 615 HD11 LEU 79 1HD1 LEU 79 -4.382 -6.600 -1.599 616 HD12 LEU 79 2HD1 LEU 79 -3.964 -6.276 0.082 617 HD13 LEU 79 3HD1 LEU 79 -2.854 -5.814 -1.207 618 HD21 LEU 79 1HD2 LEU 79 -6.574 -4.668 -1.760 619 HD22 LEU 79 2HD2 LEU 79 -5.358 -5.330 -2.853 620 HD23 LEU 79 3HD2 LEU 79 -5.527 -3.583 -2.674 621 H LEU 80 H LEU 80 -5.623 -2.861 3.030 622 HA LEU 80 HA LEU 80 -8.314 -3.389 3.543 623 HB2 LEU 80 1HB LEU 80 -6.035 -2.339 5.144 624 HB3 LEU 80 2HB LEU 80 -7.658 -2.226 5.823 625 HG LEU 80 HG LEU 80 -6.438 -4.815 4.884 626 HD11 LEU 80 1HD1 LEU 80 -5.392 -5.124 6.840 627 HD12 LEU 80 2HD1 LEU 80 -6.680 -4.353 7.765 628 HD13 LEU 80 3HD1 LEU 80 -5.457 -3.365 6.966 629 HD21 LEU 80 1HD2 LEU 80 -8.906 -4.685 5.038 630 HD22 LEU 80 2HD2 LEU 80 -8.747 -4.255 6.741 631 HD23 LEU 80 3HD2 LEU 80 -8.198 -5.833 6.175 632 H ILE 81 H ILE 81 -6.576 -0.283 3.728 633 HA ILE 81 HA ILE 81 -8.796 1.300 4.371 634 HB ILE 81 HB ILE 81 -6.329 2.111 2.829 635 HG12 ILE 81 1HG1 ILE 81 -6.791 2.600 5.753 636 HG13 ILE 81 2HG1 ILE 81 -6.159 1.048 5.211 637 HG21 ILE 81 1HG2 ILE 81 -8.489 3.595 2.895 638 HG22 ILE 81 2HG2 ILE 81 -7.923 3.974 4.521 639 HG23 ILE 81 3HG2 ILE 81 -6.896 4.314 3.127 640 HD11 ILE 81 1HD1 ILE 81 -4.732 3.391 5.731 641 HD12 ILE 81 2HD1 ILE 81 -4.126 1.891 5.029 642 HD13 ILE 81 3HD1 ILE 81 -4.703 3.185 3.979 643 H SER 82 H SER 82 -7.270 0.741 1.197 644 HA SER 82 HA SER 82 -9.026 2.237 -0.348 645 HB2 SER 82 1HB SER 82 -7.700 -0.349 -1.192 646 HB3 SER 82 2HB SER 82 -8.243 0.955 -2.247 647 HG SER 82 HG SER 82 -5.936 0.916 -1.713 648 H ALA 83 H ALA 83 -9.328 -1.047 0.872 649 HA ALA 83 HA ALA 83 -11.586 -1.803 -0.645 650 HB1 ALA 83 1HB ALA 83 -10.008 -2.909 1.484 651 HB2 ALA 83 2HB ALA 83 -11.725 -3.159 1.802 652 HB3 ALA 83 3HB ALA 83 -11.014 -3.732 0.293 653 H GLU 84 H GLU 84 -11.343 -0.626 2.715 654 HA GLU 84 HA GLU 84 -13.978 -0.584 3.425 655 HB2 GLU 84 1HB GLU 84 -11.641 1.117 4.127 656 HB3 GLU 84 2HB GLU 84 -13.231 1.690 4.612 657 HG2 GLU 84 1HG GLU 84 -12.296 -1.084 5.249 658 HG3 GLU 84 2HG GLU 84 -11.907 0.292 6.280 659 H GLN 85 H GLN 85 -12.263 1.811 1.470 660 HA GLN 85 HA GLN 85 -14.269 3.736 1.285 661 HB2 GLN 85 1HB GLN 85 -12.222 2.959 -0.799 662 HB3 GLN 85 2HB GLN 85 -13.150 4.453 -0.792 663 HG2 GLN 85 1HG GLN 85 -11.085 3.584 1.214 664 HG3 GLN 85 2HG GLN 85 -10.958 4.899 0.046 665 HE21 GLN 85 1HE2 GLN 85 -10.646 5.036 2.900 666 HE22 GLN 85 2HE2 GLN 85 -11.850 6.128 3.485 667 H ASP 86 H ASP 86 -13.644 0.916 -0.776 668 HA ASP 86 HA ASP 86 -15.420 1.201 -2.789 669 HB2 ASP 86 1HB ASP 86 -14.057 -0.782 -2.617 670 HB3 ASP 86 2HB ASP 86 -14.908 -1.294 -1.162 671 H LYS 87 H LYS 87 -16.215 0.224 0.517 672 HA LYS 87 HA LYS 87 -18.946 -0.290 0.094 673 HB2 LYS 87 1HB LYS 87 -17.711 -1.001 2.109 674 HB3 LYS 87 2HB LYS 87 -17.577 0.679 2.611 675 HG2 LYS 87 1HG LYS 87 -20.170 0.656 2.472 676 HG3 LYS 87 2HG LYS 87 -19.975 -1.097 2.566 677 HD2 LYS 87 1HD LYS 87 -19.113 -1.019 4.703 678 HD3 LYS 87 2HD LYS 87 -18.543 0.642 4.526 679 HE2 LYS 87 1HE LYS 87 -20.928 1.377 4.500 680 HE3 LYS 87 2HE LYS 87 -21.393 -0.282 4.870 681 HZ1 LYS 87 1HZ LYS 87 -19.423 0.523 6.694 682 HZ2 LYS 87 2HZ LYS 87 -21.038 0.123 7.001 683 HZ3 LYS 87 3HZ LYS 87 -20.615 1.723 6.649 684 H ARG 88 H ARG 88 -17.311 2.636 1.297 685 HA ARG 88 HA ARG 88 -19.789 4.144 1.105 686 HB2 ARG 88 1HB ARG 88 -18.481 5.991 2.075 687 HB3 ARG 88 2HB ARG 88 -18.367 4.527 3.043 688 HG2 ARG 88 1HG ARG 88 -16.194 4.107 1.694 689 HG3 ARG 88 2HG ARG 88 -16.293 5.833 1.340 690 HD2 ARG 88 1HD ARG 88 -14.981 5.772 3.251 691 HD3 ARG 88 2HD ARG 88 -16.591 6.103 3.890 692 HE ARG 88 HE ARG 88 -16.046 3.311 3.819 693 HH11 ARG 88 1HH1 ARG 88 -15.407 6.229 5.607 694 HH12 ARG 88 2HH1 ARG 88 -15.139 5.407 7.108 695 HH21 ARG 88 1HH2 ARG 88 -15.695 2.216 5.789 696 HH22 ARG 88 2HH2 ARG 88 -15.302 3.123 7.209 697 H SER 89 H SER 89 -20.157 4.203 -1.122 698 HA SER 89 HA SER 89 -18.732 6.284 -2.512 699 HB2 SER 89 1HB SER 89 -17.320 4.307 -2.991 700 HB3 SER 89 2HB SER 89 -18.727 3.482 -3.663 701 HG SER 89 HG SER 89 -17.628 4.408 -5.353 702 H GLY 90 H GLY 90 -19.691 6.587 -4.772 703 HA2 GLY 90 1HA GLY 90 -21.523 6.555 -6.230 704 HA3 GLY 90 2HA GLY 90 -22.400 5.565 -5.071 705 HA PRO 91 HA PRO 91 -23.947 9.997 -4.988 706 HB2 PRO 91 1HB PRO 91 -26.517 9.420 -5.643 707 HB3 PRO 91 2HB PRO 91 -25.272 9.758 -6.850 708 HG2 PRO 91 1HG PRO 91 -26.337 7.121 -5.915 709 HG3 PRO 91 2HG PRO 91 -25.969 7.658 -7.565 710 HD2 PRO 91 1HD PRO 91 -24.293 6.079 -6.139 711 HD3 PRO 91 2HD PRO 91 -23.710 7.265 -7.323 712 H SER 92 H SER 92 -24.761 6.959 -3.592 713 HA SER 92 HA SER 92 -26.793 7.706 -1.812 714 HB2 SER 92 1HB SER 92 -24.656 5.641 -1.257 715 HB3 SER 92 2HB SER 92 -26.298 5.686 -0.617 716 HG SER 92 HG SER 92 -27.085 5.208 -2.642 717 H SER 93 H SER 93 -26.792 8.477 0.271 718 HA SER 93 HA SER 93 -24.475 10.038 1.025 719 HB2 SER 93 1HB SER 93 -25.942 10.907 2.820 720 HB3 SER 93 2HB SER 93 -26.696 11.037 1.232 721 HG SER 93 HG SER 93 -27.869 9.131 1.729 722 H GLY 94 H GLY 94 -23.115 9.670 2.702 723 HA2 GLY 94 1HA GLY 94 -22.277 8.677 4.632 724 HA3 GLY 94 2HA GLY 94 -23.728 7.689 4.722 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -11.841 5.706 -19.226 2 HA2 GLY 1 1HA GLY 1 -12.459 3.253 -19.804 3 HA3 GLY 1 2HA GLY 1 -11.489 3.586 -21.231 4 H SER 2 H SER 2 -11.099 1.640 -19.044 5 HA SER 2 HA SER 2 -8.302 1.938 -18.742 6 HB2 SER 2 1HB SER 2 -8.058 2.444 -16.451 7 HB3 SER 2 2HB SER 2 -9.262 3.598 -17.027 8 HG SER 2 HG SER 2 -10.815 2.539 -15.966 9 H SER 3 H SER 3 -7.390 0.213 -17.275 10 HA SER 3 HA SER 3 -9.139 -1.999 -16.647 11 HB2 SER 3 1HB SER 3 -8.059 -3.615 -18.113 12 HB3 SER 3 2HB SER 3 -8.721 -2.298 -19.078 13 HG SER 3 HG SER 3 -6.572 -1.385 -19.047 14 H GLY 4 H GLY 4 -7.655 -3.972 -15.996 15 HA2 GLY 4 1HA GLY 4 -5.175 -3.041 -14.742 16 HA3 GLY 4 2HA GLY 4 -6.437 -3.671 -13.693 17 H SER 5 H SER 5 -4.706 -5.203 -13.101 18 HA SER 5 HA SER 5 -5.032 -7.654 -14.580 19 HB2 SER 5 1HB SER 5 -3.109 -6.417 -15.706 20 HB3 SER 5 2HB SER 5 -2.210 -6.647 -14.206 21 HG SER 5 HG SER 5 -1.771 -8.570 -14.896 22 H SER 6 H SER 6 -3.624 -9.429 -13.497 23 HA SER 6 HA SER 6 -3.224 -8.922 -10.646 24 HB2 SER 6 1HB SER 6 -5.264 -10.771 -11.821 25 HB3 SER 6 2HB SER 6 -4.466 -11.225 -10.315 26 HG SER 6 HG SER 6 -6.207 -10.067 -9.692 27 H GLY 7 H GLY 7 -1.964 -10.554 -9.574 28 HA2 GLY 7 1HA GLY 7 -0.927 -12.873 -10.233 29 HA3 GLY 7 2HA GLY 7 -0.126 -11.873 -11.435 30 H ASP 8 H ASP 8 -0.165 -12.914 -8.173 31 HA ASP 8 HA ASP 8 2.183 -11.221 -7.619 32 HB2 ASP 8 1HB ASP 8 -0.083 -10.876 -6.291 33 HB3 ASP 8 2HB ASP 8 0.509 -12.259 -5.375 34 H ILE 9 H ILE 9 3.646 -12.791 -8.295 35 HA ILE 9 HA ILE 9 3.587 -15.389 -6.953 36 HB ILE 9 HB ILE 9 5.478 -14.432 -9.103 37 HG12 ILE 9 1HG1 ILE 9 3.137 -16.291 -9.486 38 HG13 ILE 9 2HG1 ILE 9 2.981 -14.549 -9.689 39 HG21 ILE 9 1HG2 ILE 9 6.416 -16.489 -9.112 40 HG22 ILE 9 2HG2 ILE 9 5.866 -16.494 -7.437 41 HG23 ILE 9 3HG2 ILE 9 4.909 -17.297 -8.681 42 HD11 ILE 9 1HD1 ILE 9 5.117 -16.007 -11.164 43 HD12 ILE 9 2HD1 ILE 9 3.450 -16.076 -11.737 44 HD13 ILE 9 3HD1 ILE 9 4.268 -14.520 -11.587 45 H VAL 10 H VAL 10 4.725 -15.723 -5.172 46 HA VAL 10 HA VAL 10 7.120 -14.070 -4.696 47 HB VAL 10 HB VAL 10 5.169 -15.131 -2.649 48 HG11 VAL 10 1HG1 VAL 10 7.807 -13.717 -2.354 49 HG12 VAL 10 2HG1 VAL 10 6.594 -13.746 -1.073 50 HG13 VAL 10 3HG1 VAL 10 7.304 -15.255 -1.650 51 HG21 VAL 10 1HG2 VAL 10 4.245 -13.076 -2.530 52 HG22 VAL 10 2HG2 VAL 10 5.775 -12.253 -2.832 53 HG23 VAL 10 3HG2 VAL 10 4.858 -12.929 -4.177 54 H ALA 11 H ALA 11 8.970 -15.139 -4.446 55 HA ALA 11 HA ALA 11 9.005 -17.817 -3.326 56 HB1 ALA 11 1HB ALA 11 9.432 -17.260 -6.190 57 HB2 ALA 11 2HB ALA 11 10.594 -18.346 -5.427 58 HB3 ALA 11 3HB ALA 11 8.872 -18.727 -5.388 59 H ARG 12 H ARG 12 11.357 -18.633 -3.252 60 HA ARG 12 HA ARG 12 12.887 -16.857 -1.757 61 HB2 ARG 12 1HB ARG 12 13.255 -19.210 -1.530 62 HB3 ARG 12 2HB ARG 12 13.665 -19.370 -3.233 63 HG2 ARG 12 1HG ARG 12 15.707 -18.122 -2.897 64 HG3 ARG 12 2HG ARG 12 15.282 -17.839 -1.208 65 HD2 ARG 12 1HD ARG 12 15.602 -20.591 -2.382 66 HD3 ARG 12 2HD ARG 12 16.935 -19.701 -1.648 67 HE ARG 12 HE ARG 12 14.635 -19.903 0.053 68 HH11 ARG 12 1HH1 ARG 12 17.532 -21.505 -1.021 69 HH12 ARG 12 2HH1 ARG 12 17.684 -22.473 0.408 70 HH21 ARG 12 1HH2 ARG 12 14.823 -21.172 1.940 71 HH22 ARG 12 2HH2 ARG 12 16.142 -22.283 2.091 72 H LEU 13 H LEU 13 13.736 -15.009 -2.452 73 HA LEU 13 HA LEU 13 15.390 -15.046 -4.865 74 HB2 LEU 13 1HB LEU 13 13.174 -13.089 -4.301 75 HB3 LEU 13 2HB LEU 13 14.445 -12.801 -5.487 76 HG LEU 13 HG LEU 13 12.661 -15.209 -5.656 77 HD11 LEU 13 1HD1 LEU 13 11.688 -13.456 -7.516 78 HD12 LEU 13 2HD1 LEU 13 11.968 -12.413 -6.122 79 HD13 LEU 13 3HD1 LEU 13 10.932 -13.831 -5.967 80 HD21 LEU 13 1HD2 LEU 13 13.580 -15.539 -7.689 81 HD22 LEU 13 2HD2 LEU 13 14.914 -14.616 -6.997 82 HD23 LEU 13 3HD2 LEU 13 13.726 -13.815 -8.026 83 H GLN 14 H GLN 14 17.293 -14.092 -4.540 84 HA GLN 14 HA GLN 14 17.911 -12.919 -2.013 85 HB2 GLN 14 1HB GLN 14 19.435 -13.444 -4.537 86 HB3 GLN 14 2HB GLN 14 20.129 -12.395 -3.307 87 HG2 GLN 14 1HG GLN 14 19.636 -14.334 -1.688 88 HG3 GLN 14 2HG GLN 14 19.484 -15.309 -3.149 89 HE21 GLN 14 1HE2 GLN 14 21.270 -16.106 -4.034 90 HE22 GLN 14 2HE2 GLN 14 22.884 -15.666 -3.605 91 H THR 15 H THR 15 17.745 -11.649 -5.331 92 HA THR 15 HA THR 15 18.394 -8.991 -4.714 93 HB THR 15 HB THR 15 16.584 -9.908 -6.954 94 HG1 THR 15 HG1 THR 15 18.606 -11.027 -6.943 95 HG21 THR 15 1HG2 THR 15 17.887 -7.367 -6.240 96 HG22 THR 15 2HG2 THR 15 16.462 -7.670 -7.230 97 HG23 THR 15 3HG2 THR 15 18.072 -7.857 -7.922 98 H GLN 16 H GLN 16 17.070 -7.132 -4.518 99 HA GLN 16 HA GLN 16 14.947 -7.350 -2.730 100 HB2 GLN 16 1HB GLN 16 15.838 -5.126 -4.551 101 HB3 GLN 16 2HB GLN 16 14.450 -4.942 -3.487 102 HG2 GLN 16 1HG GLN 16 16.187 -5.791 -1.682 103 HG3 GLN 16 2HG GLN 16 17.336 -5.116 -2.837 104 HE21 GLN 16 1HE2 GLN 16 14.887 -4.447 -0.513 105 HE22 GLN 16 2HE2 GLN 16 15.048 -2.727 -0.514 106 H ALA 17 H ALA 17 12.702 -7.015 -2.958 107 HA ALA 17 HA ALA 17 11.659 -7.513 -5.671 108 HB1 ALA 17 1HB ALA 17 11.475 -9.209 -3.458 109 HB2 ALA 17 2HB ALA 17 9.879 -8.476 -3.625 110 HB3 ALA 17 3HB ALA 17 10.600 -9.340 -4.984 111 H SER 18 H SER 18 9.406 -6.810 -5.989 112 HA SER 18 HA SER 18 8.404 -4.790 -4.158 113 HB2 SER 18 1HB SER 18 9.885 -3.439 -5.501 114 HB3 SER 18 2HB SER 18 9.249 -4.137 -6.989 115 HG SER 18 HG SER 18 7.364 -3.051 -6.703 116 H ALA 19 H ALA 19 6.232 -4.107 -4.657 117 HA ALA 19 HA ALA 19 4.823 -5.702 -6.668 118 HB1 ALA 19 1HB ALA 19 4.165 -5.663 -3.732 119 HB2 ALA 19 2HB ALA 19 3.035 -6.202 -4.974 120 HB3 ALA 19 3HB ALA 19 4.559 -7.057 -4.737 121 H THR 20 H THR 20 2.460 -4.980 -6.793 122 HA THR 20 HA THR 20 2.141 -2.139 -6.138 123 HB THR 20 HB THR 20 1.063 -1.916 -8.491 124 HG1 THR 20 HG1 THR 20 2.386 -3.312 -9.977 125 HG21 THR 20 1HG2 THR 20 2.840 -0.539 -8.446 126 HG22 THR 20 2HG2 THR 20 3.651 -1.809 -9.362 127 HG23 THR 20 3HG2 THR 20 3.852 -1.719 -7.613 128 H VAL 21 H VAL 21 -0.064 -1.397 -6.195 129 HA VAL 21 HA VAL 21 -2.079 -3.540 -6.186 130 HB VAL 21 HB VAL 21 -1.568 -3.126 -3.862 131 HG11 VAL 21 1HG1 VAL 21 -1.317 -1.084 -2.881 132 HG12 VAL 21 2HG1 VAL 21 -0.808 -0.673 -4.520 133 HG13 VAL 21 3HG1 VAL 21 -2.444 -0.291 -3.980 134 HG21 VAL 21 1HG2 VAL 21 -4.088 -2.927 -4.997 135 HG22 VAL 21 2HG2 VAL 21 -3.723 -3.252 -3.303 136 HG23 VAL 21 3HG2 VAL 21 -4.033 -1.600 -3.837 137 H ALA 22 H ALA 22 -3.379 -3.057 -7.833 138 HA ALA 22 HA ALA 22 -3.742 -0.486 -8.921 139 HB1 ALA 22 1HB ALA 22 -5.974 -2.239 -9.455 140 HB2 ALA 22 2HB ALA 22 -4.746 -1.611 -10.554 141 HB3 ALA 22 3HB ALA 22 -4.434 -3.082 -9.631 142 H ILE 23 H ILE 23 -4.745 1.172 -8.004 143 HA ILE 23 HA ILE 23 -7.324 0.729 -6.698 144 HB ILE 23 HB ILE 23 -6.586 2.455 -4.935 145 HG12 ILE 23 1HG1 ILE 23 -3.886 1.408 -5.814 146 HG13 ILE 23 2HG1 ILE 23 -4.458 3.062 -6.001 147 HG21 ILE 23 1HG2 ILE 23 -5.242 0.412 -3.782 148 HG22 ILE 23 2HG2 ILE 23 -6.998 0.503 -3.897 149 HG23 ILE 23 3HG2 ILE 23 -6.086 -0.438 -5.077 150 HD11 ILE 23 1HD1 ILE 23 -4.675 2.258 -3.262 151 HD12 ILE 23 2HD1 ILE 23 -3.039 1.974 -3.858 152 HD13 ILE 23 3HD1 ILE 23 -3.755 3.581 -3.974 153 HA PRO 24 HA PRO 24 -8.558 4.375 -8.808 154 HB2 PRO 24 1HB PRO 24 -10.386 5.400 -7.083 155 HB3 PRO 24 2HB PRO 24 -10.686 3.952 -8.053 156 HG2 PRO 24 1HG PRO 24 -9.853 4.174 -5.186 157 HG3 PRO 24 2HG PRO 24 -11.055 3.097 -5.922 158 HD2 PRO 24 1HD PRO 24 -8.554 2.273 -5.290 159 HD3 PRO 24 2HD PRO 24 -9.455 1.617 -6.672 160 H LYS 25 H LYS 25 -7.858 6.423 -9.032 161 HA LYS 25 HA LYS 25 -5.908 7.536 -7.430 162 HB2 LYS 25 1HB LYS 25 -7.869 9.035 -9.177 163 HB3 LYS 25 2HB LYS 25 -6.315 9.638 -8.620 164 HG2 LYS 25 1HG LYS 25 -6.593 7.175 -10.318 165 HG3 LYS 25 2HG LYS 25 -6.398 8.796 -10.991 166 HD2 LYS 25 1HD LYS 25 -4.476 7.757 -8.941 167 HD3 LYS 25 2HD LYS 25 -4.303 7.309 -10.640 168 HE2 LYS 25 1HE LYS 25 -4.507 10.159 -9.688 169 HE3 LYS 25 2HE LYS 25 -2.972 9.316 -9.895 170 HZ1 LYS 25 1HZ LYS 25 -3.386 10.535 -11.865 171 HZ2 LYS 25 2HZ LYS 25 -4.971 9.960 -11.988 172 HZ3 LYS 25 3HZ LYS 25 -3.669 8.910 -12.243 173 H GLU 26 H GLU 26 -9.252 7.360 -6.841 174 HA GLU 26 HA GLU 26 -9.473 9.689 -5.183 175 HB2 GLU 26 1HB GLU 26 -11.557 9.137 -5.933 176 HB3 GLU 26 2HB GLU 26 -11.218 7.412 -5.936 177 HG2 GLU 26 1HG GLU 26 -11.789 7.152 -3.733 178 HG3 GLU 26 2HG GLU 26 -11.439 8.831 -3.330 179 H HIS 27 H HIS 27 -8.695 6.314 -4.699 180 HA HIS 27 HA HIS 27 -8.781 6.556 -1.807 181 HB2 HIS 27 1HB HIS 27 -7.976 4.260 -3.605 182 HB3 HIS 27 2HB HIS 27 -8.036 4.176 -1.847 183 HD1 HIS 27 HD1 HIS 27 -9.776 2.304 -3.532 184 HD2 HIS 27 HD2 HIS 27 -11.057 5.986 -2.092 185 HE1 HIS 27 HE1 HIS 27 -12.286 2.163 -3.460 186 H HIS 28 H HIS 28 -6.584 7.206 -4.262 187 HA HIS 28 HA HIS 28 -4.141 6.412 -3.131 188 HB2 HIS 28 1HB HIS 28 -4.968 8.439 -5.160 189 HB3 HIS 28 2HB HIS 28 -3.331 8.524 -4.516 190 HD2 HIS 28 HD2 HIS 28 -5.119 5.138 -5.432 191 HE1 HIS 28 HE1 HIS 28 -1.759 5.680 -7.964 192 HE2 HIS 28 HE2 HIS 28 -3.664 4.159 -7.333 193 H ARG 29 H ARG 29 -6.005 9.405 -2.798 194 HA ARG 29 HA ARG 29 -4.138 10.825 -1.255 195 HB2 ARG 29 1HB ARG 29 -5.951 12.302 -0.686 196 HB3 ARG 29 2HB ARG 29 -6.136 11.816 -2.366 197 HG2 ARG 29 1HG ARG 29 -7.925 10.370 -1.857 198 HG3 ARG 29 2HG ARG 29 -7.594 10.450 -0.126 199 HD2 ARG 29 1HD ARG 29 -8.366 12.868 -1.736 200 HD3 ARG 29 2HD ARG 29 -9.564 11.809 -0.992 201 HE ARG 29 HE ARG 29 -7.728 12.535 0.977 202 HH11 ARG 29 1HH1 ARG 29 -10.138 14.028 -1.044 203 HH12 ARG 29 2HH1 ARG 29 -10.502 15.283 0.093 204 HH21 ARG 29 1HH2 ARG 29 -8.199 14.183 2.482 205 HH22 ARG 29 2HH2 ARG 29 -9.397 15.371 2.099 206 H PHE 30 H PHE 30 -6.656 8.530 -0.368 207 HA PHE 30 HA PHE 30 -6.604 8.934 2.410 208 HB2 PHE 30 1HB PHE 30 -7.476 6.705 0.620 209 HB3 PHE 30 2HB PHE 30 -7.351 6.398 2.350 210 HD1 PHE 30 HD2 PHE 30 -9.126 8.246 -0.259 211 HD2 PHE 30 HD1 PHE 30 -8.862 7.437 3.911 212 HE1 PHE 30 HE2 PHE 30 -11.347 9.251 0.072 213 HE2 PHE 30 HE1 PHE 30 -11.084 8.440 4.250 214 HZ PHE 30 HZ PHE 30 -12.329 9.349 2.329 215 H VAL 31 H VAL 31 -4.549 7.081 0.277 216 HA VAL 31 HA VAL 31 -3.235 5.614 2.358 217 HB VAL 31 HB VAL 31 -2.367 6.116 -0.493 218 HG11 VAL 31 1HG1 VAL 31 -0.726 4.478 -0.233 219 HG12 VAL 31 2HG1 VAL 31 -0.610 5.426 1.251 220 HG13 VAL 31 3HG1 VAL 31 -1.438 3.868 1.261 221 HG21 VAL 31 1HG2 VAL 31 -3.243 3.877 -0.933 222 HG22 VAL 31 2HG2 VAL 31 -3.794 3.758 0.738 223 HG23 VAL 31 3HG2 VAL 31 -4.511 4.952 -0.344 224 H ILE 32 H ILE 32 -2.669 8.632 0.663 225 HA ILE 32 HA ILE 32 -0.012 9.019 1.629 226 HB ILE 32 HB ILE 32 -2.001 10.984 0.492 227 HG12 ILE 32 1HG1 ILE 32 0.476 9.809 -0.776 228 HG13 ILE 32 2HG1 ILE 32 -1.131 9.125 -0.988 229 HG21 ILE 32 1HG2 ILE 32 0.018 12.434 0.166 230 HG22 ILE 32 2HG2 ILE 32 -0.491 12.235 1.841 231 HG23 ILE 32 3HG2 ILE 32 0.897 11.336 1.229 232 HD11 ILE 32 1HD1 ILE 32 -1.255 10.441 -2.776 233 HD12 ILE 32 2HD1 ILE 32 -1.515 11.756 -1.630 234 HD13 ILE 32 3HD1 ILE 32 0.104 11.434 -2.251 235 H GLY 33 H GLY 33 -3.201 10.232 2.614 236 HA2 GLY 33 1HA GLY 33 -3.488 10.315 5.099 237 HA3 GLY 33 2HA GLY 33 -1.952 11.169 5.124 238 H LYS 34 H LYS 34 -4.391 12.131 6.221 239 HA LYS 34 HA LYS 34 -5.893 13.843 4.684 240 HB2 LYS 34 1HB LYS 34 -4.893 14.281 7.504 241 HB3 LYS 34 2HB LYS 34 -6.191 15.197 6.748 242 HG2 LYS 34 1HG LYS 34 -6.325 12.214 6.973 243 HG3 LYS 34 2HG LYS 34 -6.810 13.262 8.308 244 HD2 LYS 34 1HD LYS 34 -7.903 13.726 5.562 245 HD3 LYS 34 2HD LYS 34 -8.587 12.459 6.583 246 HE2 LYS 34 1HE LYS 34 -9.922 14.254 7.130 247 HE3 LYS 34 2HE LYS 34 -8.680 14.351 8.377 248 HZ1 LYS 34 1HZ LYS 34 -8.290 15.826 5.870 249 HZ2 LYS 34 2HZ LYS 34 -7.737 16.189 7.428 250 HZ3 LYS 34 3HZ LYS 34 -9.359 16.451 7.023 251 H ASN 35 H ASN 35 -2.991 14.806 6.530 252 HA ASN 35 HA ASN 35 -2.642 17.029 4.630 253 HB2 ASN 35 1HB ASN 35 -1.431 16.832 7.390 254 HB3 ASN 35 2HB ASN 35 -1.536 18.255 6.359 255 HD21 ASN 35 1HD2 ASN 35 -3.298 16.074 8.424 256 HD22 ASN 35 2HD2 ASN 35 -4.676 17.090 8.656 257 H GLY 36 H GLY 36 -1.595 14.029 4.986 258 HA2 GLY 36 1HA GLY 36 0.206 13.149 3.711 259 HA3 GLY 36 2HA GLY 36 1.046 14.683 3.888 260 H GLU 37 H GLU 37 -0.241 12.089 5.976 261 HA GLU 37 HA GLU 37 2.345 12.069 7.373 262 HB2 GLU 37 1HB GLU 37 -0.228 11.682 8.872 263 HB3 GLU 37 2HB GLU 37 1.366 12.075 9.502 264 HG2 GLU 37 1HG GLU 37 0.056 14.022 7.683 265 HG3 GLU 37 2HG GLU 37 -0.545 13.877 9.334 266 H LYS 38 H LYS 38 -0.610 10.371 6.509 267 HA LYS 38 HA LYS 38 -0.183 7.895 7.638 268 HB2 LYS 38 1HB LYS 38 -2.240 8.327 6.506 269 HB3 LYS 38 2HB LYS 38 -1.412 8.643 4.987 270 HG2 LYS 38 1HG LYS 38 -2.451 6.496 4.861 271 HG3 LYS 38 2HG LYS 38 -0.702 6.268 4.938 272 HD2 LYS 38 1HD LYS 38 -1.351 4.715 6.480 273 HD3 LYS 38 2HD LYS 38 -1.203 6.122 7.534 274 HE2 LYS 38 1HE LYS 38 -3.813 5.610 6.196 275 HE3 LYS 38 2HE LYS 38 -3.356 4.592 7.561 276 HZ1 LYS 38 1HZ LYS 38 -2.912 7.364 8.089 277 HZ2 LYS 38 2HZ LYS 38 -3.787 6.225 8.983 278 HZ3 LYS 38 3HZ LYS 38 -4.531 7.051 7.708 279 H LEU 39 H LEU 39 0.622 8.656 4.246 280 HA LEU 39 HA LEU 39 2.076 6.450 3.602 281 HB2 LEU 39 1HB LEU 39 1.727 7.956 1.875 282 HB3 LEU 39 2HB LEU 39 2.349 9.317 2.805 283 HG LEU 39 HG LEU 39 4.632 8.125 2.597 284 HD11 LEU 39 1HD1 LEU 39 3.951 7.050 0.020 285 HD12 LEU 39 2HD1 LEU 39 3.032 6.243 1.291 286 HD13 LEU 39 3HD1 LEU 39 4.793 6.286 1.368 287 HD21 LEU 39 1HD2 LEU 39 3.137 9.782 0.681 288 HD22 LEU 39 2HD2 LEU 39 4.572 8.988 0.032 289 HD23 LEU 39 3HD2 LEU 39 4.709 10.050 1.435 290 H GLN 40 H GLN 40 3.267 9.313 5.315 291 HA GLN 40 HA GLN 40 5.963 8.619 5.457 292 HB2 GLN 40 1HB GLN 40 4.450 10.055 7.637 293 HB3 GLN 40 2HB GLN 40 6.152 10.213 7.225 294 HG2 GLN 40 1HG GLN 40 5.238 11.017 4.925 295 HG3 GLN 40 2HG GLN 40 3.758 11.314 5.835 296 HE21 GLN 40 1HE2 GLN 40 7.215 11.731 6.523 297 HE22 GLN 40 2HE2 GLN 40 7.097 13.393 6.983 298 H ASP 41 H ASP 41 3.444 8.099 7.929 299 HA ASP 41 HA ASP 41 5.010 6.601 9.688 300 HB2 ASP 41 1HB ASP 41 2.593 7.607 9.926 301 HB3 ASP 41 2HB ASP 41 2.092 6.008 9.382 302 H LEU 42 H LEU 42 3.005 5.577 6.961 303 HA LEU 42 HA LEU 42 3.217 2.808 7.345 304 HB2 LEU 42 1HB LEU 42 2.569 4.594 5.068 305 HB3 LEU 42 2HB LEU 42 2.984 2.923 4.694 306 HG LEU 42 HG LEU 42 0.715 3.853 6.453 307 HD11 LEU 42 1HD1 LEU 42 -0.424 2.425 4.495 308 HD12 LEU 42 2HD1 LEU 42 0.955 3.081 3.613 309 HD13 LEU 42 3HD1 LEU 42 -0.183 4.171 4.405 310 HD21 LEU 42 1HD2 LEU 42 0.150 1.321 6.164 311 HD22 LEU 42 2HD2 LEU 42 1.278 1.840 7.418 312 HD23 LEU 42 3HD2 LEU 42 1.888 1.163 5.907 313 H GLU 43 H GLU 43 5.122 4.953 5.226 314 HA GLU 43 HA GLU 43 6.870 3.118 4.164 315 HB2 GLU 43 1HB GLU 43 7.099 6.018 4.836 316 HB3 GLU 43 2HB GLU 43 8.548 5.154 4.342 317 HG2 GLU 43 1HG GLU 43 7.507 4.533 2.251 318 HG3 GLU 43 2HG GLU 43 5.999 5.298 2.749 319 H LEU 44 H LEU 44 7.042 4.724 7.306 320 HA LEU 44 HA LEU 44 9.570 3.575 8.002 321 HB2 LEU 44 1HB LEU 44 7.462 5.089 9.500 322 HB3 LEU 44 2HB LEU 44 8.819 4.350 10.347 323 HG LEU 44 HG LEU 44 9.225 6.300 8.095 324 HD11 LEU 44 1HD1 LEU 44 8.026 6.873 10.591 325 HD12 LEU 44 2HD1 LEU 44 8.569 8.002 9.350 326 HD13 LEU 44 3HD1 LEU 44 9.671 7.507 10.633 327 HD21 LEU 44 1HD2 LEU 44 11.406 6.546 9.013 328 HD22 LEU 44 2HD2 LEU 44 11.089 4.816 8.880 329 HD23 LEU 44 3HD2 LEU 44 10.976 5.616 10.450 330 H LYS 45 H LYS 45 6.355 3.138 9.487 331 HA LYS 45 HA LYS 45 6.844 0.972 11.059 332 HB2 LYS 45 1HB LYS 45 4.674 2.174 10.901 333 HB3 LYS 45 2HB LYS 45 4.356 1.347 9.381 334 HG2 LYS 45 1HG LYS 45 4.067 -0.713 10.417 335 HG3 LYS 45 2HG LYS 45 4.908 -0.201 11.882 336 HD2 LYS 45 1HD LYS 45 2.647 -0.221 12.489 337 HD3 LYS 45 2HD LYS 45 2.993 1.480 12.166 338 HE2 LYS 45 1HE LYS 45 2.107 1.122 9.848 339 HE3 LYS 45 2HE LYS 45 1.593 -0.485 10.360 340 HZ1 LYS 45 1HZ LYS 45 -0.189 0.360 11.349 341 HZ2 LYS 45 2HZ LYS 45 0.161 1.836 10.602 342 HZ3 LYS 45 3HZ LYS 45 0.712 1.532 12.172 343 H THR 46 H THR 46 6.399 0.995 7.577 344 HA THR 46 HA THR 46 6.676 -1.922 7.489 345 HB THR 46 HB THR 46 5.919 -1.848 5.230 346 HG1 THR 46 HG1 THR 46 6.621 0.857 5.435 347 HG21 THR 46 1HG2 THR 46 4.378 0.019 7.021 348 HG22 THR 46 2HG2 THR 46 4.077 -1.690 6.710 349 HG23 THR 46 3HG2 THR 46 3.780 -0.499 5.445 350 H ALA 47 H ALA 47 8.449 0.960 7.014 351 HA ALA 47 HA ALA 47 10.565 1.401 6.301 352 HB1 ALA 47 1HB ALA 47 11.791 -1.129 6.212 353 HB2 ALA 47 2HB ALA 47 11.880 0.075 7.498 354 HB3 ALA 47 3HB ALA 47 10.636 -1.174 7.545 355 H THR 48 H THR 48 8.568 0.862 4.311 356 HA THR 48 HA THR 48 10.186 -0.369 2.179 357 HB THR 48 HB THR 48 8.085 -0.669 0.931 358 HG1 THR 48 HG1 THR 48 6.540 0.642 1.575 359 HG21 THR 48 1HG2 THR 48 8.907 -2.459 2.418 360 HG22 THR 48 2HG2 THR 48 7.149 -2.454 2.288 361 HG23 THR 48 3HG2 THR 48 7.929 -1.799 3.727 362 H LYS 49 H LYS 49 9.582 0.576 -0.056 363 HA LYS 49 HA LYS 49 9.681 3.510 0.167 364 HB2 LYS 49 1HB LYS 49 11.676 2.235 -0.797 365 HB3 LYS 49 2HB LYS 49 10.649 1.887 -2.181 366 HG2 LYS 49 1HG LYS 49 11.896 3.758 -2.811 367 HG3 LYS 49 2HG LYS 49 10.316 4.404 -2.364 368 HD2 LYS 49 1HD LYS 49 11.923 5.840 -1.381 369 HD3 LYS 49 2HD LYS 49 11.287 4.842 -0.070 370 HE2 LYS 49 1HE LYS 49 13.240 3.375 -0.250 371 HE3 LYS 49 2HE LYS 49 13.871 4.374 -1.559 372 HZ1 LYS 49 1HZ LYS 49 13.480 5.170 1.273 373 HZ2 LYS 49 2HZ LYS 49 13.879 6.257 0.040 374 HZ3 LYS 49 3HZ LYS 49 14.948 5.010 0.447 375 H ILE 50 H ILE 50 7.381 3.678 0.178 376 HA ILE 50 HA ILE 50 5.788 2.641 -1.947 377 HB ILE 50 HB ILE 50 5.133 4.896 -0.048 378 HG12 ILE 50 1HG1 ILE 50 4.303 2.011 0.223 379 HG13 ILE 50 2HG1 ILE 50 5.779 2.626 0.958 380 HG21 ILE 50 1HG2 ILE 50 3.737 3.784 -2.276 381 HG22 ILE 50 2HG2 ILE 50 2.852 3.419 -0.795 382 HG23 ILE 50 3HG2 ILE 50 3.246 5.090 -1.198 383 HD11 ILE 50 1HD1 ILE 50 4.593 3.259 2.709 384 HD12 ILE 50 2HD1 ILE 50 3.719 4.396 1.681 385 HD13 ILE 50 3HD1 ILE 50 3.101 2.761 1.913 386 H GLN 51 H GLN 51 5.049 3.608 -3.787 387 HA GLN 51 HA GLN 51 5.908 6.357 -4.346 388 HB2 GLN 51 1HB GLN 51 7.388 4.404 -5.339 389 HB3 GLN 51 2HB GLN 51 6.098 4.332 -6.533 390 HG2 GLN 51 1HG GLN 51 7.607 5.759 -7.520 391 HG3 GLN 51 2HG GLN 51 6.482 6.878 -6.751 392 HE21 GLN 51 1HE2 GLN 51 9.389 7.026 -7.510 393 HE22 GLN 51 2HE2 GLN 51 10.181 7.570 -6.075 394 H ILE 52 H ILE 52 4.154 7.493 -4.802 395 HA ILE 52 HA ILE 52 1.865 6.142 -6.055 396 HB ILE 52 HB ILE 52 1.952 8.802 -4.627 397 HG12 ILE 52 1HG1 ILE 52 0.620 6.278 -3.665 398 HG13 ILE 52 2HG1 ILE 52 2.296 6.646 -3.268 399 HG21 ILE 52 1HG2 ILE 52 -0.290 9.053 -5.018 400 HG22 ILE 52 2HG2 ILE 52 0.199 8.244 -6.506 401 HG23 ILE 52 3HG2 ILE 52 -0.562 7.321 -5.210 402 HD11 ILE 52 1HD1 ILE 52 0.852 8.956 -2.653 403 HD12 ILE 52 2HD1 ILE 52 -0.116 7.607 -2.060 404 HD13 ILE 52 3HD1 ILE 52 1.556 7.792 -1.532 405 HA PRO 53 HA PRO 53 2.707 8.248 -9.848 406 HB2 PRO 53 1HB PRO 53 0.308 7.809 -11.040 407 HB3 PRO 53 2HB PRO 53 1.536 6.550 -10.861 408 HG2 PRO 53 1HG PRO 53 -0.902 7.068 -9.202 409 HG3 PRO 53 2HG PRO 53 -0.256 5.525 -9.790 410 HD2 PRO 53 1HD PRO 53 0.130 6.396 -7.255 411 HD3 PRO 53 2HD PRO 53 1.326 5.408 -8.118 412 H ARG 54 H ARG 54 2.138 10.146 -10.961 413 HA ARG 54 HA ARG 54 1.079 12.224 -9.380 414 HB2 ARG 54 1HB ARG 54 1.989 11.944 -12.199 415 HB3 ARG 54 2HB ARG 54 0.988 13.336 -11.806 416 HG2 ARG 54 1HG ARG 54 2.598 13.908 -10.000 417 HG3 ARG 54 2HG ARG 54 3.630 12.594 -10.571 418 HD2 ARG 54 1HD ARG 54 4.525 14.439 -11.646 419 HD3 ARG 54 2HD ARG 54 3.443 13.771 -12.868 420 HE ARG 54 HE ARG 54 2.269 15.718 -12.785 421 HH11 ARG 54 1HH1 ARG 54 4.005 15.354 -9.788 422 HH12 ARG 54 2HH1 ARG 54 3.514 16.895 -9.166 423 HH21 ARG 54 1HH2 ARG 54 1.616 17.749 -11.976 424 HH22 ARG 54 2HH2 ARG 54 2.155 18.255 -10.411 425 HA PRO 55 HA PRO 55 -3.245 12.149 -10.116 426 HB2 PRO 55 1HB PRO 55 -3.837 14.791 -10.301 427 HB3 PRO 55 2HB PRO 55 -3.402 14.010 -8.777 428 HG2 PRO 55 1HG PRO 55 -1.701 15.642 -10.622 429 HG3 PRO 55 2HG PRO 55 -1.787 15.680 -8.852 430 HD2 PRO 55 1HD PRO 55 0.185 14.391 -10.187 431 HD3 PRO 55 2HD PRO 55 -0.432 13.829 -8.620 432 H ASP 56 H ASP 56 -1.141 13.590 -12.433 433 HA ASP 56 HA ASP 56 -3.272 13.844 -14.419 434 HB2 ASP 56 1HB ASP 56 -0.421 14.774 -14.281 435 HB3 ASP 56 2HB ASP 56 -1.252 14.687 -15.832 436 H ASP 57 H ASP 57 -0.657 11.782 -13.512 437 HA ASP 57 HA ASP 57 -0.309 10.488 -16.028 438 HB2 ASP 57 1HB ASP 57 1.211 10.541 -13.859 439 HB3 ASP 57 2HB ASP 57 0.304 9.084 -13.465 440 HA PRO 58 HA PRO 58 -3.847 7.865 -16.054 441 HB2 PRO 58 1HB PRO 58 -2.941 5.973 -17.777 442 HB3 PRO 58 2HB PRO 58 -3.433 7.589 -18.297 443 HG2 PRO 58 1HG PRO 58 -0.684 6.516 -17.790 444 HG3 PRO 58 2HG PRO 58 -1.257 7.543 -19.118 445 HD2 PRO 58 1HD PRO 58 0.088 8.532 -16.986 446 HD3 PRO 58 2HD PRO 58 -1.159 9.461 -17.843 447 H SER 59 H SER 59 -0.946 7.105 -14.608 448 HA SER 59 HA SER 59 -1.571 4.328 -14.030 449 HB2 SER 59 1HB SER 59 0.734 6.143 -13.355 450 HB3 SER 59 2HB SER 59 0.543 4.580 -12.562 451 HG SER 59 HG SER 59 0.409 4.722 -15.359 452 H ASN 60 H ASN 60 -2.795 3.720 -12.383 453 HA ASN 60 HA ASN 60 -3.026 5.519 -10.060 454 HB2 ASN 60 1HB ASN 60 -5.358 4.666 -9.799 455 HB3 ASN 60 2HB ASN 60 -5.110 5.584 -11.281 456 HD21 ASN 60 1HD2 ASN 60 -5.916 2.552 -9.905 457 HD22 ASN 60 2HD2 ASN 60 -6.239 1.717 -11.382 458 H GLN 61 H GLN 61 -1.276 3.157 -10.626 459 HA GLN 61 HA GLN 61 -2.196 1.390 -8.458 460 HB2 GLN 61 1HB GLN 61 -0.117 0.706 -10.531 461 HB3 GLN 61 2HB GLN 61 -0.955 -0.390 -9.439 462 HG2 GLN 61 1HG GLN 61 -3.086 0.289 -10.643 463 HG3 GLN 61 2HG GLN 61 -2.035 1.016 -11.857 464 HE21 GLN 61 1HE2 GLN 61 -0.075 -0.659 -12.272 465 HE22 GLN 61 2HE2 GLN 61 -0.633 -2.218 -12.763 466 H ILE 62 H ILE 62 -1.157 1.568 -6.596 467 HA ILE 62 HA ILE 62 1.206 3.156 -6.336 468 HB ILE 62 HB ILE 62 -0.400 1.515 -4.399 469 HG12 ILE 62 1HG1 ILE 62 0.257 4.463 -4.416 470 HG13 ILE 62 2HG1 ILE 62 -1.167 3.786 -5.197 471 HG21 ILE 62 1HG2 ILE 62 2.229 2.894 -3.909 472 HG22 ILE 62 2HG2 ILE 62 1.106 2.463 -2.621 473 HG23 ILE 62 3HG2 ILE 62 1.822 1.202 -3.624 474 HD11 ILE 62 1HD1 ILE 62 -0.570 4.157 -2.324 475 HD12 ILE 62 2HD1 ILE 62 -2.081 4.366 -3.211 476 HD13 ILE 62 3HD1 ILE 62 -1.523 2.747 -2.787 477 H LYS 63 H LYS 63 3.265 2.502 -5.641 478 HA LYS 63 HA LYS 63 3.881 -0.330 -6.178 479 HB2 LYS 63 1HB LYS 63 4.802 1.372 -7.800 480 HB3 LYS 63 2HB LYS 63 5.777 2.001 -6.477 481 HG2 LYS 63 1HG LYS 63 6.656 -0.399 -6.249 482 HG3 LYS 63 2HG LYS 63 5.967 -0.650 -7.855 483 HD2 LYS 63 1HD LYS 63 7.295 1.590 -8.361 484 HD3 LYS 63 2HD LYS 63 8.278 1.019 -7.011 485 HE2 LYS 63 1HE LYS 63 8.222 -1.243 -8.330 486 HE3 LYS 63 2HE LYS 63 7.841 -0.202 -9.700 487 HZ1 LYS 63 1HZ LYS 63 10.060 0.707 -8.095 488 HZ2 LYS 63 2HZ LYS 63 9.918 0.585 -9.776 489 HZ3 LYS 63 3HZ LYS 63 10.328 -0.777 -8.860 490 H ILE 64 H ILE 64 5.125 -1.453 -4.745 491 HA ILE 64 HA ILE 64 6.150 -0.009 -2.400 492 HB ILE 64 HB ILE 64 5.444 -2.322 -1.231 493 HG12 ILE 64 1HG1 ILE 64 3.227 -1.775 -3.215 494 HG13 ILE 64 2HG1 ILE 64 4.357 -3.120 -3.329 495 HG21 ILE 64 1HG2 ILE 64 4.088 -1.022 0.021 496 HG22 ILE 64 2HG2 ILE 64 4.805 0.274 -0.934 497 HG23 ILE 64 3HG2 ILE 64 3.230 -0.382 -1.380 498 HD11 ILE 64 1HD1 ILE 64 3.157 -3.091 -0.734 499 HD12 ILE 64 2HD1 ILE 64 1.907 -3.036 -1.979 500 HD13 ILE 64 3HD1 ILE 64 3.099 -4.336 -1.983 501 H THR 65 H THR 65 8.229 -0.417 -2.093 502 HA THR 65 HA THR 65 9.313 -2.998 -3.020 503 HB THR 65 HB THR 65 10.950 -0.476 -2.868 504 HG1 THR 65 HG1 THR 65 9.629 -1.482 -5.185 505 HG21 THR 65 1HG2 THR 65 11.997 -1.960 -4.853 506 HG22 THR 65 2HG2 THR 65 11.314 -3.240 -3.852 507 HG23 THR 65 3HG2 THR 65 12.488 -2.117 -3.167 508 H GLY 66 H GLY 66 10.790 -4.051 -1.718 509 HA2 GLY 66 1HA GLY 66 12.324 -3.287 0.332 510 HA3 GLY 66 2HA GLY 66 10.734 -3.260 1.080 511 H THR 67 H THR 67 11.036 -4.929 2.497 512 HA THR 67 HA THR 67 11.928 -7.513 1.466 513 HB THR 67 HB THR 67 11.959 -8.243 3.806 514 HG1 THR 67 HG1 THR 67 11.235 -6.952 5.420 515 HG21 THR 67 1HG2 THR 67 13.333 -5.639 3.173 516 HG22 THR 67 2HG2 THR 67 13.994 -7.273 3.095 517 HG23 THR 67 3HG2 THR 67 13.644 -6.537 4.658 518 H LYS 68 H LYS 68 10.703 -9.402 1.618 519 HA LYS 68 HA LYS 68 8.118 -9.412 0.848 520 HB2 LYS 68 1HB LYS 68 9.663 -11.403 1.115 521 HB3 LYS 68 2HB LYS 68 9.179 -11.451 2.805 522 HG2 LYS 68 1HG LYS 68 7.050 -11.454 0.734 523 HG3 LYS 68 2HG LYS 68 7.988 -12.929 0.983 524 HD2 LYS 68 1HD LYS 68 6.754 -11.465 3.292 525 HD3 LYS 68 2HD LYS 68 5.818 -12.615 2.334 526 HE2 LYS 68 1HE LYS 68 8.473 -13.325 3.550 527 HE3 LYS 68 2HE LYS 68 6.960 -13.499 4.437 528 HZ1 LYS 68 1HZ LYS 68 6.308 -14.763 2.223 529 HZ2 LYS 68 2HZ LYS 68 7.071 -15.546 3.513 530 HZ3 LYS 68 3HZ LYS 68 7.977 -15.038 2.178 531 H GLU 69 H GLU 69 9.278 -9.061 4.144 532 HA GLU 69 HA GLU 69 6.678 -9.247 5.336 533 HB2 GLU 69 1HB GLU 69 9.356 -8.331 6.376 534 HB3 GLU 69 2HB GLU 69 7.900 -8.307 7.360 535 HG2 GLU 69 1HG GLU 69 7.687 -10.785 6.802 536 HG3 GLU 69 2HG GLU 69 9.349 -10.672 6.226 537 H GLY 70 H GLY 70 8.978 -6.528 5.043 538 HA2 GLY 70 1HA GLY 70 7.357 -4.485 5.910 539 HA3 GLY 70 2HA GLY 70 8.603 -4.286 4.688 540 H ILE 71 H ILE 71 7.751 -5.447 2.496 541 HA ILE 71 HA ILE 71 5.889 -3.725 1.396 542 HB ILE 71 HB ILE 71 6.490 -6.539 0.476 543 HG12 ILE 71 1HG1 ILE 71 7.763 -3.915 -0.330 544 HG13 ILE 71 2HG1 ILE 71 8.502 -5.113 0.727 545 HG21 ILE 71 1HG2 ILE 71 4.677 -6.005 -0.804 546 HG22 ILE 71 2HG2 ILE 71 4.983 -4.271 -0.711 547 HG23 ILE 71 3HG2 ILE 71 5.953 -5.281 -1.782 548 HD11 ILE 71 1HD1 ILE 71 9.482 -5.711 -1.219 549 HD12 ILE 71 2HD1 ILE 71 8.011 -6.673 -1.366 550 HD13 ILE 71 3HD1 ILE 71 8.141 -5.127 -2.204 551 H GLU 72 H GLU 72 5.387 -6.947 2.776 552 HA GLU 72 HA GLU 72 2.721 -7.319 2.091 553 HB2 GLU 72 1HB GLU 72 4.458 -8.298 4.313 554 HB3 GLU 72 2HB GLU 72 2.727 -8.587 4.415 555 HG2 GLU 72 1HG GLU 72 4.391 -9.373 2.041 556 HG3 GLU 72 2HG GLU 72 4.085 -10.439 3.410 557 H LYS 73 H LYS 73 3.962 -6.054 5.189 558 HA LYS 73 HA LYS 73 1.599 -5.373 6.390 559 HB2 LYS 73 1HB LYS 73 4.340 -4.173 6.493 560 HB3 LYS 73 2HB LYS 73 3.022 -3.385 7.349 561 HG2 LYS 73 1HG LYS 73 3.790 -4.719 9.012 562 HG3 LYS 73 2HG LYS 73 2.640 -5.835 8.272 563 HD2 LYS 73 1HD LYS 73 4.520 -6.753 6.911 564 HD3 LYS 73 2HD LYS 73 5.625 -5.735 7.839 565 HE2 LYS 73 1HE LYS 73 5.743 -7.774 8.941 566 HE3 LYS 73 2HE LYS 73 4.573 -6.871 9.904 567 HZ1 LYS 73 1HZ LYS 73 2.955 -8.297 9.394 568 HZ2 LYS 73 2HZ LYS 73 4.183 -9.345 8.887 569 HZ3 LYS 73 3HZ LYS 73 3.383 -8.372 7.758 570 H ALA 74 H ALA 74 3.527 -3.290 4.239 571 HA ALA 74 HA ALA 74 1.759 -1.106 4.246 572 HB1 ALA 74 1HB ALA 74 3.456 -0.211 3.139 573 HB2 ALA 74 2HB ALA 74 4.198 -1.802 2.971 574 HB3 ALA 74 3HB ALA 74 3.080 -1.216 1.739 575 H ARG 75 H ARG 75 1.990 -3.932 2.128 576 HA ARG 75 HA ARG 75 -0.002 -3.101 0.295 577 HB2 ARG 75 1HB ARG 75 1.812 -5.033 0.197 578 HB3 ARG 75 2HB ARG 75 0.479 -5.999 0.813 579 HG2 ARG 75 1HG ARG 75 -0.885 -5.361 -1.103 580 HG3 ARG 75 2HG ARG 75 0.437 -4.364 -1.715 581 HD2 ARG 75 1HD ARG 75 1.824 -6.291 -2.036 582 HD3 ARG 75 2HD ARG 75 0.657 -7.328 -1.217 583 HE ARG 75 HE ARG 75 0.614 -6.540 -3.952 584 HH11 ARG 75 1HH1 ARG 75 -1.428 -7.313 -1.241 585 HH12 ARG 75 2HH1 ARG 75 -2.757 -7.833 -2.224 586 HH21 ARG 75 1HH2 ARG 75 -1.128 -7.222 -5.256 587 HH22 ARG 75 2HH2 ARG 75 -2.585 -7.781 -4.508 588 H HIS 76 H HIS 76 -0.101 -4.731 3.376 589 HA HIS 76 HA HIS 76 -2.828 -5.601 3.121 590 HB2 HIS 76 1HB HIS 76 -1.071 -6.703 4.575 591 HB3 HIS 76 2HB HIS 76 -1.235 -5.335 5.672 592 HD1 HIS 76 HD1 HIS 76 -3.052 -8.373 4.454 593 HD2 HIS 76 HD2 HIS 76 -3.543 -5.329 7.238 594 HE1 HIS 76 HE1 HIS 76 -4.982 -9.088 5.898 595 H GLU 77 H GLU 77 -1.160 -2.806 4.395 596 HA GLU 77 HA GLU 77 -3.473 -1.761 5.754 597 HB2 GLU 77 1HB GLU 77 -0.816 -0.495 5.060 598 HB3 GLU 77 2HB GLU 77 -2.060 0.273 6.038 599 HG2 GLU 77 1HG GLU 77 -0.899 -2.386 6.782 600 HG3 GLU 77 2HG GLU 77 -0.120 -0.871 7.238 601 H VAL 78 H VAL 78 -1.718 -1.021 2.759 602 HA VAL 78 HA VAL 78 -3.308 1.161 1.964 603 HB VAL 78 HB VAL 78 -1.062 0.495 1.002 604 HG11 VAL 78 1HG1 VAL 78 -2.591 -1.218 -0.915 605 HG12 VAL 78 2HG1 VAL 78 -0.857 -1.177 -0.586 606 HG13 VAL 78 3HG1 VAL 78 -1.961 -1.903 0.583 607 HG21 VAL 78 1HG2 VAL 78 -3.137 0.958 -1.122 608 HG22 VAL 78 2HG2 VAL 78 -2.700 2.198 0.052 609 HG23 VAL 78 3HG2 VAL 78 -1.481 1.562 -1.054 610 H LEU 79 H LEU 79 -3.669 -2.304 1.530 611 HA LEU 79 HA LEU 79 -5.831 -2.096 -0.339 612 HB2 LEU 79 1HB LEU 79 -4.489 -4.287 1.156 613 HB3 LEU 79 2HB LEU 79 -6.105 -4.586 0.519 614 HG LEU 79 HG LEU 79 -3.872 -3.604 -1.236 615 HD11 LEU 79 1HD1 LEU 79 -4.314 -6.301 -0.115 616 HD12 LEU 79 2HD1 LEU 79 -2.834 -5.535 -0.689 617 HD13 LEU 79 3HD1 LEU 79 -3.983 -6.208 -1.845 618 HD21 LEU 79 1HD2 LEU 79 -5.702 -3.428 -2.543 619 HD22 LEU 79 2HD2 LEU 79 -6.637 -4.571 -1.578 620 HD23 LEU 79 3HD2 LEU 79 -5.459 -5.162 -2.751 621 H LEU 80 H LEU 80 -5.557 -2.737 3.134 622 HA LEU 80 HA LEU 80 -8.252 -3.251 3.660 623 HB2 LEU 80 1HB LEU 80 -5.934 -2.305 5.263 624 HB3 LEU 80 2HB LEU 80 -7.543 -2.161 5.967 625 HG LEU 80 HG LEU 80 -6.330 -4.743 4.983 626 HD11 LEU 80 1HD1 LEU 80 -6.586 -3.665 7.787 627 HD12 LEU 80 2HD1 LEU 80 -5.086 -3.898 6.891 628 HD13 LEU 80 3HD1 LEU 80 -6.060 -5.292 7.354 629 HD21 LEU 80 1HD2 LEU 80 -8.285 -5.386 6.746 630 HD22 LEU 80 2HD2 LEU 80 -8.501 -5.323 4.996 631 HD23 LEU 80 3HD2 LEU 80 -8.971 -3.946 5.993 632 H ILE 81 H ILE 81 -6.464 -0.191 3.623 633 HA ILE 81 HA ILE 81 -8.668 1.412 4.432 634 HB ILE 81 HB ILE 81 -6.149 2.193 2.960 635 HG12 ILE 81 1HG1 ILE 81 -6.668 2.809 5.834 636 HG13 ILE 81 2HG1 ILE 81 -6.196 1.168 5.409 637 HG21 ILE 81 1HG2 ILE 81 -6.677 4.479 3.800 638 HG22 ILE 81 2HG2 ILE 81 -7.809 3.877 2.591 639 HG23 ILE 81 3HG2 ILE 81 -8.259 3.878 4.296 640 HD11 ILE 81 1HD1 ILE 81 -4.571 3.482 5.722 641 HD12 ILE 81 2HD1 ILE 81 -4.087 1.814 5.411 642 HD13 ILE 81 3HD1 ILE 81 -4.432 2.900 4.064 643 H SER 82 H SER 82 -7.261 0.606 1.281 644 HA SER 82 HA SER 82 -8.945 2.265 -0.259 645 HB2 SER 82 1HB SER 82 -7.468 -0.270 -1.009 646 HB3 SER 82 2HB SER 82 -8.251 0.808 -2.165 647 HG SER 82 HG SER 82 -6.561 2.034 -2.068 648 H ALA 83 H ALA 83 -9.246 -1.066 0.852 649 HA ALA 83 HA ALA 83 -11.512 -1.772 -0.658 650 HB1 ALA 83 1HB ALA 83 -11.099 -2.899 2.069 651 HB2 ALA 83 2HB ALA 83 -11.567 -3.708 0.573 652 HB3 ALA 83 3HB ALA 83 -9.894 -3.209 0.819 653 H GLU 84 H GLU 84 -11.283 -0.689 2.734 654 HA GLU 84 HA GLU 84 -13.885 -0.648 3.483 655 HB2 GLU 84 1HB GLU 84 -11.578 1.127 4.099 656 HB3 GLU 84 2HB GLU 84 -13.171 1.668 4.608 657 HG2 GLU 84 1HG GLU 84 -11.918 -0.971 5.330 658 HG3 GLU 84 2HG GLU 84 -11.981 0.452 6.369 659 H GLN 85 H GLN 85 -12.263 1.914 1.625 660 HA GLN 85 HA GLN 85 -14.328 3.720 1.399 661 HB2 GLN 85 1HB GLN 85 -12.341 2.989 -0.759 662 HB3 GLN 85 2HB GLN 85 -13.268 4.481 -0.675 663 HG2 GLN 85 1HG GLN 85 -11.188 3.577 1.303 664 HG3 GLN 85 2HG GLN 85 -10.983 4.819 0.069 665 HE21 GLN 85 1HE2 GLN 85 -10.785 4.941 3.008 666 HE22 GLN 85 2HE2 GLN 85 -11.879 6.186 3.493 667 H ASP 86 H ASP 86 -13.602 1.045 -0.842 668 HA ASP 86 HA ASP 86 -15.555 1.306 -2.695 669 HB2 ASP 86 1HB ASP 86 -13.805 -0.603 -2.292 670 HB3 ASP 86 2HB ASP 86 -15.151 -1.410 -1.492 671 H LYS 87 H LYS 87 -15.978 -0.307 0.450 672 HA LYS 87 HA LYS 87 -18.651 -0.999 0.208 673 HB2 LYS 87 1HB LYS 87 -17.039 -1.622 2.065 674 HB3 LYS 87 2HB LYS 87 -17.375 -0.047 2.772 675 HG2 LYS 87 1HG LYS 87 -19.642 -1.866 2.113 676 HG3 LYS 87 2HG LYS 87 -18.679 -2.158 3.564 677 HD2 LYS 87 1HD LYS 87 -19.131 0.141 4.307 678 HD3 LYS 87 2HD LYS 87 -20.120 0.402 2.868 679 HE2 LYS 87 1HE LYS 87 -21.642 -0.103 4.590 680 HE3 LYS 87 2HE LYS 87 -21.503 -1.582 3.639 681 HZ1 LYS 87 1HZ LYS 87 -21.057 -2.589 5.552 682 HZ2 LYS 87 2HZ LYS 87 -20.862 -1.129 6.384 683 HZ3 LYS 87 3HZ LYS 87 -19.557 -1.804 5.546 684 H ARG 88 H ARG 88 -17.297 1.964 1.658 685 HA ARG 88 HA ARG 88 -19.459 3.319 2.474 686 HB2 ARG 88 1HB ARG 88 -17.319 4.533 0.716 687 HB3 ARG 88 2HB ARG 88 -18.360 5.403 1.837 688 HG2 ARG 88 1HG ARG 88 -17.356 4.131 3.700 689 HG3 ARG 88 2HG ARG 88 -16.259 3.368 2.547 690 HD2 ARG 88 1HD ARG 88 -15.103 5.188 3.582 691 HD3 ARG 88 2HD ARG 88 -15.455 5.640 1.915 692 HE ARG 88 HE ARG 88 -17.419 6.525 3.833 693 HH11 ARG 88 1HH1 ARG 88 -14.448 7.279 2.181 694 HH12 ARG 88 2HH1 ARG 88 -14.614 8.991 2.390 695 HH21 ARG 88 1HH2 ARG 88 -17.649 8.776 4.113 696 HH22 ARG 88 2HH2 ARG 88 -16.435 9.842 3.489 697 H SER 89 H SER 89 -21.320 4.061 1.676 698 HA SER 89 HA SER 89 -22.520 3.344 -0.601 699 HB2 SER 89 1HB SER 89 -23.799 4.577 0.977 700 HB3 SER 89 2HB SER 89 -22.744 5.984 0.845 701 HG SER 89 HG SER 89 -23.966 6.647 -0.715 702 H GLY 90 H GLY 90 -22.394 3.704 -2.733 703 HA2 GLY 90 1HA GLY 90 -21.716 6.004 -4.070 704 HA3 GLY 90 2HA GLY 90 -20.184 5.197 -3.773 705 HA PRO 91 HA PRO 91 -22.900 2.439 -6.728 706 HB2 PRO 91 1HB PRO 91 -24.760 3.829 -8.135 707 HB3 PRO 91 2HB PRO 91 -25.111 3.047 -6.589 708 HG2 PRO 91 1HG PRO 91 -24.494 5.919 -7.161 709 HG3 PRO 91 2HG PRO 91 -25.725 5.232 -6.087 710 HD2 PRO 91 1HD PRO 91 -23.369 6.201 -5.170 711 HD3 PRO 91 2HD PRO 91 -24.211 4.846 -4.391 712 H SER 92 H SER 92 -21.279 5.315 -7.095 713 HA SER 92 HA SER 92 -21.188 6.042 -9.691 714 HB2 SER 92 1HB SER 92 -19.040 5.769 -7.629 715 HB3 SER 92 2HB SER 92 -18.575 6.165 -9.282 716 HG SER 92 HG SER 92 -19.647 8.046 -9.152 717 H SER 93 H SER 93 -19.793 5.481 -11.497 718 HA SER 93 HA SER 93 -19.972 2.753 -12.180 719 HB2 SER 93 1HB SER 93 -18.267 4.883 -13.493 720 HB3 SER 93 2HB SER 93 -18.788 3.363 -14.219 721 HG SER 93 HG SER 93 -20.306 5.649 -13.594 722 H GLY 94 H GLY 94 -18.444 1.138 -12.324 723 HA2 GLY 94 1HA GLY 94 -15.764 1.129 -12.206 724 HA3 GLY 94 2HA GLY 94 -16.183 1.420 -10.524 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 8.400 -3.131 -20.778 2 HA2 GLY 1 1HA GLY 1 9.546 -5.187 -21.306 3 HA3 GLY 1 2HA GLY 1 10.916 -4.609 -20.369 4 H SER 2 H SER 2 7.711 -5.999 -20.218 5 HA SER 2 HA SER 2 8.343 -7.103 -17.600 6 HB2 SER 2 1HB SER 2 5.857 -5.452 -18.112 7 HB3 SER 2 2HB SER 2 6.146 -6.419 -16.665 8 HG SER 2 HG SER 2 6.883 -3.943 -17.083 9 H SER 3 H SER 3 7.557 -9.116 -17.324 10 HA SER 3 HA SER 3 5.259 -10.091 -18.735 11 HB2 SER 3 1HB SER 3 6.302 -11.678 -20.169 12 HB3 SER 3 2HB SER 3 7.141 -10.152 -20.452 13 HG SER 3 HG SER 3 8.207 -12.441 -19.757 14 H GLY 4 H GLY 4 4.845 -12.410 -18.245 15 HA2 GLY 4 1HA GLY 4 6.326 -13.480 -15.967 16 HA3 GLY 4 2HA GLY 4 4.638 -13.075 -15.690 17 H SER 5 H SER 5 6.603 -15.578 -16.269 18 HA SER 5 HA SER 5 4.728 -17.010 -18.014 19 HB2 SER 5 1HB SER 5 6.578 -18.757 -18.048 20 HB3 SER 5 2HB SER 5 6.967 -17.213 -18.806 21 HG SER 5 HG SER 5 7.839 -18.252 -16.338 22 H SER 6 H SER 6 6.189 -17.069 -14.821 23 HA SER 6 HA SER 6 5.836 -18.390 -12.988 24 HB2 SER 6 1HB SER 6 3.468 -18.647 -12.379 25 HB3 SER 6 2HB SER 6 3.784 -17.032 -13.012 26 HG SER 6 HG SER 6 2.909 -19.088 -14.724 27 H GLY 7 H GLY 7 6.814 -19.910 -15.047 28 HA2 GLY 7 1HA GLY 7 5.609 -22.494 -14.426 29 HA3 GLY 7 2HA GLY 7 5.659 -22.039 -16.122 30 H ASP 8 H ASP 8 7.740 -22.428 -13.271 31 HA ASP 8 HA ASP 8 9.667 -23.896 -14.814 32 HB2 ASP 8 1HB ASP 8 10.180 -21.063 -14.003 33 HB3 ASP 8 2HB ASP 8 11.513 -22.215 -13.970 34 H ILE 9 H ILE 9 11.127 -25.043 -13.535 35 HA ILE 9 HA ILE 9 10.372 -26.060 -11.166 36 HB ILE 9 HB ILE 9 13.220 -25.470 -11.974 37 HG12 ILE 9 1HG1 ILE 9 11.744 -28.092 -12.148 38 HG13 ILE 9 2HG1 ILE 9 11.715 -26.919 -13.461 39 HG21 ILE 9 1HG2 ILE 9 13.490 -27.605 -10.422 40 HG22 ILE 9 2HG2 ILE 9 13.559 -25.964 -9.779 41 HG23 ILE 9 3HG2 ILE 9 12.071 -26.902 -9.646 42 HD11 ILE 9 1HD1 ILE 9 13.995 -28.542 -12.427 43 HD12 ILE 9 2HD1 ILE 9 13.414 -28.345 -14.081 44 HD13 ILE 9 3HD1 ILE 9 14.290 -27.033 -13.292 45 H VAL 10 H VAL 10 10.161 -25.435 -9.113 46 HA VAL 10 HA VAL 10 10.019 -22.956 -8.151 47 HB VAL 10 HB VAL 10 9.594 -25.045 -6.835 48 HG11 VAL 10 1HG1 VAL 10 12.151 -25.689 -7.323 49 HG12 VAL 10 2HG1 VAL 10 12.329 -24.970 -5.722 50 HG13 VAL 10 3HG1 VAL 10 11.234 -26.334 -5.961 51 HG21 VAL 10 1HG2 VAL 10 11.124 -23.570 -4.881 52 HG22 VAL 10 2HG2 VAL 10 10.259 -22.482 -5.967 53 HG23 VAL 10 3HG2 VAL 10 9.375 -23.713 -5.065 54 H ALA 11 H ALA 11 11.301 -21.321 -7.422 55 HA ALA 11 HA ALA 11 14.158 -21.692 -7.127 56 HB1 ALA 11 1HB ALA 11 14.249 -21.312 -9.428 57 HB2 ALA 11 2HB ALA 11 12.971 -20.097 -9.371 58 HB3 ALA 11 3HB ALA 11 14.569 -19.727 -8.723 59 H ARG 12 H ARG 12 15.217 -19.531 -6.552 60 HA ARG 12 HA ARG 12 13.387 -17.657 -5.267 61 HB2 ARG 12 1HB ARG 12 15.330 -19.430 -3.848 62 HB3 ARG 12 2HB ARG 12 15.058 -17.806 -3.233 63 HG2 ARG 12 1HG ARG 12 12.543 -18.474 -3.381 64 HG3 ARG 12 2HG ARG 12 13.184 -20.118 -3.371 65 HD2 ARG 12 1HD ARG 12 14.545 -19.319 -1.323 66 HD3 ARG 12 2HD ARG 12 13.376 -17.999 -1.263 67 HE ARG 12 HE ARG 12 11.808 -20.194 -1.381 68 HH11 ARG 12 1HH1 ARG 12 14.484 -19.286 0.654 69 HH12 ARG 12 2HH1 ARG 12 13.914 -20.180 2.024 70 HH21 ARG 12 1HH2 ARG 12 11.048 -21.374 0.417 71 HH22 ARG 12 2HH2 ARG 12 11.960 -21.368 1.889 72 H LEU 13 H LEU 13 14.371 -15.639 -4.701 73 HA LEU 13 HA LEU 13 16.935 -15.162 -6.075 74 HB2 LEU 13 1HB LEU 13 16.089 -12.864 -6.512 75 HB3 LEU 13 2HB LEU 13 15.218 -14.138 -7.361 76 HG LEU 13 HG LEU 13 14.135 -13.103 -4.779 77 HD11 LEU 13 1HD1 LEU 13 14.184 -11.662 -7.395 78 HD12 LEU 13 2HD1 LEU 13 14.397 -11.030 -5.763 79 HD13 LEU 13 3HD1 LEU 13 12.793 -11.506 -6.321 80 HD21 LEU 13 1HD2 LEU 13 12.770 -14.782 -5.461 81 HD22 LEU 13 2HD2 LEU 13 13.177 -14.573 -7.164 82 HD23 LEU 13 3HD2 LEU 13 12.041 -13.470 -6.387 83 H GLN 14 H GLN 14 17.959 -13.038 -5.298 84 HA GLN 14 HA GLN 14 17.800 -12.975 -2.359 85 HB2 GLN 14 1HB GLN 14 20.146 -12.149 -2.439 86 HB3 GLN 14 2HB GLN 14 19.950 -13.768 -3.096 87 HG2 GLN 14 1HG GLN 14 20.113 -12.961 -5.333 88 HG3 GLN 14 2HG GLN 14 20.059 -11.286 -4.787 89 HE21 GLN 14 1HE2 GLN 14 21.861 -10.471 -3.591 90 HE22 GLN 14 2HE2 GLN 14 23.432 -11.153 -3.814 91 H THR 15 H THR 15 17.964 -11.029 -5.275 92 HA THR 15 HA THR 15 18.306 -8.496 -4.242 93 HB THR 15 HB THR 15 16.755 -7.765 -6.179 94 HG1 THR 15 HG1 THR 15 16.142 -9.347 -7.580 95 HG21 THR 15 1HG2 THR 15 18.510 -8.003 -7.741 96 HG22 THR 15 2HG2 THR 15 19.092 -9.485 -6.982 97 HG23 THR 15 3HG2 THR 15 19.297 -7.935 -6.164 98 H GLN 16 H GLN 16 16.468 -6.770 -4.318 99 HA GLN 16 HA GLN 16 14.604 -7.494 -2.246 100 HB2 GLN 16 1HB GLN 16 15.271 -4.933 -3.671 101 HB3 GLN 16 2HB GLN 16 13.877 -5.039 -2.603 102 HG2 GLN 16 1HG GLN 16 16.617 -5.832 -1.687 103 HG3 GLN 16 2HG GLN 16 16.071 -4.157 -1.640 104 HE21 GLN 16 1HE2 GLN 16 15.621 -3.675 0.385 105 HE22 GLN 16 2HE2 GLN 16 14.687 -4.636 1.475 106 H ALA 17 H ALA 17 12.340 -7.362 -2.362 107 HA ALA 17 HA ALA 17 11.280 -7.926 -5.031 108 HB1 ALA 17 1HB ALA 17 10.512 -8.660 -2.275 109 HB2 ALA 17 2HB ALA 17 9.192 -8.417 -3.421 110 HB3 ALA 17 3HB ALA 17 10.450 -9.604 -3.764 111 H SER 18 H SER 18 9.312 -6.953 -5.762 112 HA SER 18 HA SER 18 8.418 -4.541 -4.396 113 HB2 SER 18 1HB SER 18 8.569 -3.379 -6.747 114 HB3 SER 18 2HB SER 18 9.983 -3.428 -5.697 115 HG SER 18 HG SER 18 9.523 -5.475 -7.575 116 H ALA 19 H ALA 19 6.278 -4.555 -4.395 117 HA ALA 19 HA ALA 19 4.877 -5.888 -6.620 118 HB1 ALA 19 1HB ALA 19 4.340 -7.224 -4.831 119 HB2 ALA 19 2HB ALA 19 4.364 -5.885 -3.683 120 HB3 ALA 19 3HB ALA 19 3.010 -6.067 -4.798 121 H THR 20 H THR 20 2.465 -5.101 -6.648 122 HA THR 20 HA THR 20 2.318 -2.206 -6.215 123 HB THR 20 HB THR 20 1.077 -2.189 -8.535 124 HG1 THR 20 HG1 THR 20 2.260 -3.661 -9.974 125 HG21 THR 20 1HG2 THR 20 3.578 -2.028 -9.544 126 HG22 THR 20 2HG2 THR 20 3.925 -1.901 -7.819 127 HG23 THR 20 3HG2 THR 20 2.826 -0.754 -8.584 128 H VAL 21 H VAL 21 0.180 -1.363 -6.115 129 HA VAL 21 HA VAL 21 -1.923 -3.402 -5.795 130 HB VAL 21 HB VAL 21 -1.300 -2.717 -3.579 131 HG11 VAL 21 1HG1 VAL 21 -1.022 -0.527 -2.848 132 HG12 VAL 21 2HG1 VAL 21 -0.305 -0.507 -4.461 133 HG13 VAL 21 3HG1 VAL 21 -1.925 0.144 -4.207 134 HG21 VAL 21 1HG2 VAL 21 -3.628 -1.029 -3.570 135 HG22 VAL 21 2HG2 VAL 21 -3.868 -2.399 -4.655 136 HG23 VAL 21 3HG2 VAL 21 -3.439 -2.677 -2.968 137 H ALA 22 H ALA 22 -3.334 -3.102 -7.389 138 HA ALA 22 HA ALA 22 -3.684 -0.624 -8.743 139 HB1 ALA 22 1HB ALA 22 -5.578 -1.804 -9.866 140 HB2 ALA 22 2HB ALA 22 -4.031 -2.648 -9.959 141 HB3 ALA 22 3HB ALA 22 -5.263 -3.187 -8.817 142 H ILE 23 H ILE 23 -4.666 1.078 -7.876 143 HA ILE 23 HA ILE 23 -7.289 0.730 -6.652 144 HB ILE 23 HB ILE 23 -6.551 2.432 -4.850 145 HG12 ILE 23 1HG1 ILE 23 -3.886 1.198 -5.574 146 HG13 ILE 23 2HG1 ILE 23 -4.329 2.886 -5.793 147 HG21 ILE 23 1HG2 ILE 23 -6.874 0.670 -3.540 148 HG22 ILE 23 2HG2 ILE 23 -6.674 -0.380 -4.942 149 HG23 ILE 23 3HG2 ILE 23 -5.278 0.040 -3.948 150 HD11 ILE 23 1HD1 ILE 23 -4.486 1.685 -3.074 151 HD12 ILE 23 2HD1 ILE 23 -2.916 2.138 -3.740 152 HD13 ILE 23 3HD1 ILE 23 -4.180 3.355 -3.557 153 HA PRO 24 HA PRO 24 -8.267 4.444 -8.777 154 HB2 PRO 24 1HB PRO 24 -10.113 5.549 -7.120 155 HB3 PRO 24 2HB PRO 24 -10.441 4.121 -8.109 156 HG2 PRO 24 1HG PRO 24 -9.714 4.290 -5.210 157 HG3 PRO 24 2HG PRO 24 -10.935 3.275 -6.000 158 HD2 PRO 24 1HD PRO 24 -8.504 2.331 -5.274 159 HD3 PRO 24 2HD PRO 24 -9.378 1.724 -6.694 160 H LYS 25 H LYS 25 -7.528 6.494 -8.949 161 HA LYS 25 HA LYS 25 -5.570 7.498 -7.270 162 HB2 LYS 25 1HB LYS 25 -7.398 9.024 -9.133 163 HB3 LYS 25 2HB LYS 25 -5.913 9.659 -8.437 164 HG2 LYS 25 1HG LYS 25 -4.876 7.509 -9.557 165 HG3 LYS 25 2HG LYS 25 -6.297 7.656 -10.595 166 HD2 LYS 25 1HD LYS 25 -5.520 10.183 -10.690 167 HD3 LYS 25 2HD LYS 25 -3.954 9.469 -10.299 168 HE2 LYS 25 1HE LYS 25 -4.265 9.696 -12.716 169 HE3 LYS 25 2HE LYS 25 -4.122 8.005 -12.236 170 HZ1 LYS 25 1HZ LYS 25 -6.213 7.563 -12.872 171 HZ2 LYS 25 2HZ LYS 25 -6.047 8.949 -13.825 172 HZ3 LYS 25 3HZ LYS 25 -6.825 9.042 -12.327 173 H GLU 26 H GLU 26 -8.930 7.443 -6.792 174 HA GLU 26 HA GLU 26 -9.130 9.779 -5.144 175 HB2 GLU 26 1HB GLU 26 -11.367 9.255 -4.905 176 HB3 GLU 26 2HB GLU 26 -10.995 8.487 -6.443 177 HG2 GLU 26 1HG GLU 26 -10.479 6.425 -4.871 178 HG3 GLU 26 2HG GLU 26 -11.601 7.272 -3.808 179 H HIS 27 H HIS 27 -8.385 6.412 -4.644 180 HA HIS 27 HA HIS 27 -8.611 6.617 -1.758 181 HB2 HIS 27 1HB HIS 27 -7.770 4.372 -3.595 182 HB3 HIS 27 2HB HIS 27 -7.744 4.241 -1.838 183 HD1 HIS 27 HD1 HIS 27 -9.518 2.352 -3.423 184 HD2 HIS 27 HD2 HIS 27 -10.814 6.017 -1.955 185 HE1 HIS 27 HE1 HIS 27 -12.020 2.162 -3.253 186 H HIS 28 H HIS 28 -6.271 7.199 -4.140 187 HA HIS 28 HA HIS 28 -3.889 6.465 -2.894 188 HB2 HIS 28 1HB HIS 28 -4.602 8.625 -4.854 189 HB3 HIS 28 2HB HIS 28 -2.966 8.511 -4.210 190 HD2 HIS 28 HD2 HIS 28 -4.413 5.042 -4.781 191 HE1 HIS 28 HE1 HIS 28 -2.152 5.997 -8.242 192 HE2 HIS 28 HE2 HIS 28 -3.428 4.202 -7.021 193 H ARG 29 H ARG 29 -5.842 9.388 -2.536 194 HA ARG 29 HA ARG 29 -4.049 10.817 -0.903 195 HB2 ARG 29 1HB ARG 29 -5.883 12.266 -0.402 196 HB3 ARG 29 2HB ARG 29 -6.053 11.766 -2.079 197 HG2 ARG 29 1HG ARG 29 -7.630 9.958 -1.181 198 HG3 ARG 29 2HG ARG 29 -7.655 10.914 0.303 199 HD2 ARG 29 1HD ARG 29 -8.243 12.113 -2.388 200 HD3 ARG 29 2HD ARG 29 -9.496 11.358 -1.404 201 HE ARG 29 HE ARG 29 -7.952 13.381 -0.044 202 HH11 ARG 29 1HH1 ARG 29 -10.757 12.701 -1.991 203 HH12 ARG 29 2HH1 ARG 29 -11.613 14.119 -1.485 204 HH21 ARG 29 1HH2 ARG 29 -9.069 15.252 0.629 205 HH22 ARG 29 2HH2 ARG 29 -10.653 15.570 0.004 206 H PHE 30 H PHE 30 -6.540 8.442 -0.174 207 HA PHE 30 HA PHE 30 -6.603 8.781 2.617 208 HB2 PHE 30 1HB PHE 30 -7.403 6.621 0.725 209 HB3 PHE 30 2HB PHE 30 -7.281 6.215 2.433 210 HD1 PHE 30 HD1 PHE 30 -8.729 7.331 4.079 211 HD2 PHE 30 HD2 PHE 30 -9.169 7.979 -0.105 212 HE1 PHE 30 HE1 PHE 30 -10.970 8.269 4.464 213 HE2 PHE 30 HE2 PHE 30 -11.410 8.920 0.273 214 HZ PHE 30 HZ PHE 30 -12.314 9.066 2.560 215 H VAL 31 H VAL 31 -4.229 7.446 0.566 216 HA VAL 31 HA VAL 31 -3.010 5.846 2.681 217 HB VAL 31 HB VAL 31 -1.988 6.295 -0.124 218 HG11 VAL 31 1HG1 VAL 31 -0.819 5.101 2.119 219 HG12 VAL 31 2HG1 VAL 31 -1.342 3.768 1.088 220 HG13 VAL 31 3HG1 VAL 31 -0.267 5.012 0.447 221 HG21 VAL 31 1HG2 VAL 31 -3.551 3.906 0.820 222 HG22 VAL 31 2HG2 VAL 31 -4.317 5.293 0.046 223 HG23 VAL 31 3HG2 VAL 31 -3.114 4.348 -0.831 224 H ILE 32 H ILE 32 -2.820 8.981 1.357 225 HA ILE 32 HA ILE 32 -0.084 9.408 2.292 226 HB ILE 32 HB ILE 32 -1.912 11.403 0.959 227 HG12 ILE 32 1HG1 ILE 32 0.279 9.834 -0.390 228 HG13 ILE 32 2HG1 ILE 32 -1.390 9.277 -0.372 229 HG21 ILE 32 1HG2 ILE 32 0.513 11.735 2.268 230 HG22 ILE 32 2HG2 ILE 32 0.933 11.715 0.555 231 HG23 ILE 32 3HG2 ILE 32 -0.253 12.873 1.158 232 HD11 ILE 32 1HD1 ILE 32 -1.236 10.371 -2.392 233 HD12 ILE 32 2HD1 ILE 32 -1.919 11.614 -1.342 234 HD13 ILE 32 3HD1 ILE 32 -0.202 11.644 -1.742 235 H GLY 33 H GLY 33 -3.398 10.243 3.059 236 HA2 GLY 33 1HA GLY 33 -4.005 10.697 5.342 237 HA3 GLY 33 2HA GLY 33 -2.430 11.441 5.569 238 H LYS 34 H LYS 34 -4.607 12.791 6.424 239 HA LYS 34 HA LYS 34 -5.691 14.557 4.467 240 HB2 LYS 34 1HB LYS 34 -6.972 14.166 6.444 241 HB3 LYS 34 2HB LYS 34 -5.629 14.628 7.482 242 HG2 LYS 34 1HG LYS 34 -5.948 16.872 7.132 243 HG3 LYS 34 2HG LYS 34 -6.727 16.627 5.567 244 HD2 LYS 34 1HD LYS 34 -8.034 15.653 8.078 245 HD3 LYS 34 2HD LYS 34 -8.163 17.349 7.607 246 HE2 LYS 34 1HE LYS 34 -8.823 15.126 5.699 247 HE3 LYS 34 2HE LYS 34 -10.012 15.743 6.846 248 HZ1 LYS 34 1HZ LYS 34 -8.622 17.756 5.290 249 HZ2 LYS 34 2HZ LYS 34 -10.260 17.640 5.698 250 HZ3 LYS 34 3HZ LYS 34 -9.646 16.742 4.403 251 H ASN 35 H ASN 35 -2.939 14.664 6.636 252 HA ASN 35 HA ASN 35 -2.261 17.335 5.601 253 HB2 ASN 35 1HB ASN 35 -1.691 15.964 8.206 254 HB3 ASN 35 2HB ASN 35 -0.611 17.233 7.632 255 HD21 ASN 35 1HD2 ASN 35 -4.065 17.111 7.070 256 HD22 ASN 35 2HD2 ASN 35 -4.461 18.493 8.028 257 H GLY 36 H GLY 36 -1.486 14.079 5.369 258 HA2 GLY 36 1HA GLY 36 0.088 13.304 3.754 259 HA3 GLY 36 2HA GLY 36 1.037 14.758 4.028 260 H GLU 37 H GLU 37 -0.283 12.448 6.375 261 HA GLU 37 HA GLU 37 2.485 11.870 7.208 262 HB2 GLU 37 1HB GLU 37 1.586 11.558 9.504 263 HB3 GLU 37 2HB GLU 37 1.414 13.203 8.907 264 HG2 GLU 37 1HG GLU 37 -0.895 12.963 8.585 265 HG3 GLU 37 2HG GLU 37 -0.815 11.207 8.713 266 H LYS 38 H LYS 38 -0.485 10.620 6.131 267 HA LYS 38 HA LYS 38 -0.437 8.048 7.284 268 HB2 LYS 38 1HB LYS 38 -2.271 9.327 5.868 269 HB3 LYS 38 2HB LYS 38 -1.523 8.461 4.534 270 HG2 LYS 38 1HG LYS 38 -2.823 7.283 6.975 271 HG3 LYS 38 2HG LYS 38 -3.379 7.183 5.302 272 HD2 LYS 38 1HD LYS 38 -1.270 5.949 4.764 273 HD3 LYS 38 2HD LYS 38 -0.911 5.919 6.492 274 HE2 LYS 38 1HE LYS 38 -3.558 4.928 5.543 275 HE3 LYS 38 2HE LYS 38 -2.137 3.908 5.329 276 HZ1 LYS 38 1HZ LYS 38 -2.716 3.237 7.387 277 HZ2 LYS 38 2HZ LYS 38 -3.519 4.675 7.770 278 HZ3 LYS 38 3HZ LYS 38 -1.832 4.599 7.863 279 H LEU 39 H LEU 39 0.885 9.307 4.245 280 HA LEU 39 HA LEU 39 1.895 6.795 3.360 281 HB2 LEU 39 1HB LEU 39 1.609 8.246 1.611 282 HB3 LEU 39 2HB LEU 39 2.183 9.636 2.530 283 HG LEU 39 HG LEU 39 4.504 8.598 2.333 284 HD11 LEU 39 1HD1 LEU 39 4.901 6.816 1.008 285 HD12 LEU 39 2HD1 LEU 39 3.603 7.222 -0.115 286 HD13 LEU 39 3HD1 LEU 39 3.230 6.423 1.412 287 HD21 LEU 39 1HD2 LEU 39 4.191 9.204 -0.364 288 HD22 LEU 39 2HD2 LEU 39 4.616 10.321 0.933 289 HD23 LEU 39 3HD2 LEU 39 2.929 10.124 0.455 290 H GLN 40 H GLN 40 3.384 9.622 4.911 291 HA GLN 40 HA GLN 40 6.014 8.659 4.962 292 HB2 GLN 40 1HB GLN 40 6.507 10.487 6.259 293 HB3 GLN 40 2HB GLN 40 4.976 11.009 5.570 294 HG2 GLN 40 1HG GLN 40 3.806 10.385 7.580 295 HG3 GLN 40 2HG GLN 40 5.285 9.714 8.268 296 HE21 GLN 40 1HE2 GLN 40 6.431 10.986 9.539 297 HE22 GLN 40 2HE2 GLN 40 6.311 12.707 9.627 298 H ASP 41 H ASP 41 3.426 8.415 7.381 299 HA ASP 41 HA ASP 41 4.914 7.050 9.334 300 HB2 ASP 41 1HB ASP 41 2.574 8.159 9.496 301 HB3 ASP 41 2HB ASP 41 1.968 6.603 8.934 302 H LEU 42 H LEU 42 3.034 5.897 6.583 303 HA LEU 42 HA LEU 42 3.132 3.149 7.216 304 HB2 LEU 42 1HB LEU 42 2.552 4.766 4.799 305 HB3 LEU 42 2HB LEU 42 2.935 3.061 4.561 306 HG LEU 42 HG LEU 42 0.668 4.169 6.216 307 HD11 LEU 42 1HD1 LEU 42 0.890 3.064 3.462 308 HD12 LEU 42 2HD1 LEU 42 -0.094 4.393 4.070 309 HD13 LEU 42 3HD1 LEU 42 -0.564 2.726 4.400 310 HD21 LEU 42 1HD2 LEU 42 0.030 1.660 6.142 311 HD22 LEU 42 2HD2 LEU 42 1.222 2.211 7.319 312 HD23 LEU 42 3HD2 LEU 42 1.750 1.405 5.842 313 H GLU 43 H GLU 43 5.069 5.032 4.883 314 HA GLU 43 HA GLU 43 6.813 3.043 4.093 315 HB2 GLU 43 1HB GLU 43 7.162 6.017 4.371 316 HB3 GLU 43 2HB GLU 43 8.468 4.997 3.783 317 HG2 GLU 43 1HG GLU 43 7.179 4.301 1.904 318 HG3 GLU 43 2HG GLU 43 5.733 5.082 2.540 319 H LEU 44 H LEU 44 6.548 4.538 7.148 320 HA LEU 44 HA LEU 44 9.255 3.810 7.956 321 HB2 LEU 44 1HB LEU 44 7.045 5.409 9.163 322 HB3 LEU 44 2HB LEU 44 8.295 4.739 10.210 323 HG LEU 44 HG LEU 44 8.816 6.593 7.887 324 HD11 LEU 44 1HD1 LEU 44 8.630 7.145 10.844 325 HD12 LEU 44 2HD1 LEU 44 7.593 7.790 9.573 326 HD13 LEU 44 3HD1 LEU 44 9.289 8.266 9.653 327 HD21 LEU 44 1HD2 LEU 44 10.515 4.866 9.308 328 HD22 LEU 44 2HD2 LEU 44 10.847 6.491 9.908 329 HD23 LEU 44 3HD2 LEU 44 10.969 6.146 8.182 330 H LYS 45 H LYS 45 5.949 3.248 9.177 331 HA LYS 45 HA LYS 45 6.495 1.312 11.049 332 HB2 LYS 45 1HB LYS 45 4.269 2.350 10.637 333 HB3 LYS 45 2HB LYS 45 4.096 1.339 9.208 334 HG2 LYS 45 1HG LYS 45 4.505 -0.613 10.886 335 HG3 LYS 45 2HG LYS 45 4.013 0.580 12.091 336 HD2 LYS 45 1HD LYS 45 2.377 0.024 9.630 337 HD3 LYS 45 2HD LYS 45 2.190 -0.917 11.111 338 HE2 LYS 45 1HE LYS 45 1.823 1.263 12.316 339 HE3 LYS 45 2HE LYS 45 1.756 2.040 10.734 340 HZ1 LYS 45 1HZ LYS 45 -0.177 0.873 10.173 341 HZ2 LYS 45 2HZ LYS 45 -0.433 1.372 11.768 342 HZ3 LYS 45 3HZ LYS 45 -0.003 -0.230 11.442 343 H THR 46 H THR 46 5.989 0.884 7.570 344 HA THR 46 HA THR 46 6.566 -1.969 7.796 345 HB THR 46 HB THR 46 5.929 -2.155 5.480 346 HG1 THR 46 HG1 THR 46 6.247 0.633 5.538 347 HG21 THR 46 1HG2 THR 46 4.022 -2.171 6.856 348 HG22 THR 46 2HG2 THR 46 3.631 -1.026 5.573 349 HG23 THR 46 3HG2 THR 46 4.122 -0.438 7.162 350 H ALA 47 H ALA 47 8.130 0.977 7.016 351 HA ALA 47 HA ALA 47 10.258 1.482 6.383 352 HB1 ALA 47 1HB ALA 47 10.506 -1.282 7.423 353 HB2 ALA 47 2HB ALA 47 11.858 -0.639 6.489 354 HB3 ALA 47 3HB ALA 47 11.309 0.201 7.938 355 H THR 48 H THR 48 8.404 0.911 4.358 356 HA THR 48 HA THR 48 10.072 -0.430 2.331 357 HB THR 48 HB THR 48 7.980 -0.730 1.026 358 HG1 THR 48 HG1 THR 48 6.492 -0.149 3.343 359 HG21 THR 48 1HG2 THR 48 7.123 -2.573 2.310 360 HG22 THR 48 2HG2 THR 48 7.771 -1.893 3.803 361 HG23 THR 48 3HG2 THR 48 8.867 -2.490 2.557 362 H LYS 49 H LYS 49 9.363 0.426 0.026 363 HA LYS 49 HA LYS 49 9.563 3.363 0.141 364 HB2 LYS 49 1HB LYS 49 11.443 1.818 -0.870 365 HB3 LYS 49 2HB LYS 49 10.379 1.794 -2.271 366 HG2 LYS 49 1HG LYS 49 11.828 3.539 -2.728 367 HG3 LYS 49 2HG LYS 49 10.409 4.357 -2.074 368 HD2 LYS 49 1HD LYS 49 12.192 5.380 -0.972 369 HD3 LYS 49 2HD LYS 49 11.615 4.186 0.193 370 HE2 LYS 49 1HE LYS 49 13.955 3.975 0.203 371 HE3 LYS 49 2HE LYS 49 13.376 2.626 -0.773 372 HZ1 LYS 49 1HZ LYS 49 13.851 4.927 -2.374 373 HZ2 LYS 49 2HZ LYS 49 14.497 3.370 -2.519 374 HZ3 LYS 49 3HZ LYS 49 15.242 4.503 -1.508 375 H ILE 50 H ILE 50 7.432 3.940 -0.002 376 HA ILE 50 HA ILE 50 5.735 2.769 -2.045 377 HB ILE 50 HB ILE 50 5.121 4.996 -0.100 378 HG12 ILE 50 1HG1 ILE 50 4.252 2.113 0.085 379 HG13 ILE 50 2HG1 ILE 50 5.709 2.711 0.873 380 HG21 ILE 50 1HG2 ILE 50 3.636 3.763 -2.290 381 HG22 ILE 50 2HG2 ILE 50 2.759 3.785 -0.760 382 HG23 ILE 50 3HG2 ILE 50 3.363 5.289 -1.452 383 HD11 ILE 50 1HD1 ILE 50 4.476 3.298 2.605 384 HD12 ILE 50 2HD1 ILE 50 3.636 4.466 1.585 385 HD13 ILE 50 3HD1 ILE 50 3.003 2.829 1.756 386 H GLN 51 H GLN 51 5.372 3.611 -3.994 387 HA GLN 51 HA GLN 51 6.195 6.397 -4.484 388 HB2 GLN 51 1HB GLN 51 6.757 3.903 -6.004 389 HB3 GLN 51 2HB GLN 51 6.462 5.367 -6.932 390 HG2 GLN 51 1HG GLN 51 8.225 6.421 -5.351 391 HG3 GLN 51 2HG GLN 51 8.681 4.747 -5.036 392 HE21 GLN 51 1HE2 GLN 51 10.723 5.240 -5.968 393 HE22 GLN 51 2HE2 GLN 51 10.916 5.288 -7.685 394 H ILE 52 H ILE 52 4.324 7.489 -4.567 395 HA ILE 52 HA ILE 52 2.005 6.324 -5.892 396 HB ILE 52 HB ILE 52 2.385 8.824 -4.259 397 HG12 ILE 52 1HG1 ILE 52 0.678 6.351 -3.903 398 HG13 ILE 52 2HG1 ILE 52 2.151 6.730 -3.017 399 HG21 ILE 52 1HG2 ILE 52 0.027 9.327 -4.595 400 HG22 ILE 52 2HG2 ILE 52 0.893 9.345 -6.129 401 HG23 ILE 52 3HG2 ILE 52 -0.118 7.965 -5.704 402 HD11 ILE 52 1HD1 ILE 52 -0.561 7.547 -2.512 403 HD12 ILE 52 2HD1 ILE 52 0.864 7.658 -1.478 404 HD13 ILE 52 3HD1 ILE 52 0.514 8.939 -2.638 405 HA PRO 53 HA PRO 53 2.960 8.400 -9.696 406 HB2 PRO 53 1HB PRO 53 0.622 7.833 -10.954 407 HB3 PRO 53 2HB PRO 53 1.905 6.640 -10.731 408 HG2 PRO 53 1HG PRO 53 -0.603 7.041 -9.148 409 HG3 PRO 53 2HG PRO 53 0.137 5.530 -9.706 410 HD2 PRO 53 1HD PRO 53 0.404 6.433 -7.167 411 HD3 PRO 53 2HD PRO 53 1.674 5.501 -7.988 412 H ARG 54 H ARG 54 2.367 10.281 -10.800 413 HA ARG 54 HA ARG 54 1.167 12.310 -9.281 414 HB2 ARG 54 1HB ARG 54 1.886 12.096 -12.197 415 HB3 ARG 54 2HB ARG 54 1.137 13.542 -11.537 416 HG2 ARG 54 1HG ARG 54 3.365 14.080 -11.432 417 HG3 ARG 54 2HG ARG 54 3.083 13.436 -9.813 418 HD2 ARG 54 1HD ARG 54 3.967 11.274 -10.512 419 HD3 ARG 54 2HD ARG 54 4.216 11.892 -12.144 420 HE ARG 54 HE ARG 54 6.136 12.902 -11.426 421 HH11 ARG 54 1HH1 ARG 54 4.205 12.042 -8.660 422 HH12 ARG 54 2HH1 ARG 54 5.431 12.459 -7.510 423 HH21 ARG 54 1HH2 ARG 54 7.760 13.454 -9.920 424 HH22 ARG 54 2HH2 ARG 54 7.452 13.262 -8.227 425 HA PRO 55 HA PRO 55 -3.143 11.970 -10.035 426 HB2 PRO 55 1HB PRO 55 -3.884 14.579 -10.140 427 HB3 PRO 55 2HB PRO 55 -3.415 13.773 -8.639 428 HG2 PRO 55 1HG PRO 55 -1.798 15.560 -10.415 429 HG3 PRO 55 2HG PRO 55 -1.897 15.536 -8.645 430 HD2 PRO 55 1HD PRO 55 0.154 14.405 -10.006 431 HD3 PRO 55 2HD PRO 55 -0.441 13.759 -8.462 432 H ASP 56 H ASP 56 -1.042 13.181 -12.353 433 HA ASP 56 HA ASP 56 -3.198 13.481 -14.335 434 HB2 ASP 56 1HB ASP 56 -1.932 15.022 -15.483 435 HB3 ASP 56 2HB ASP 56 -1.377 15.333 -13.840 436 H ASP 57 H ASP 57 -0.903 11.345 -13.242 437 HA ASP 57 HA ASP 57 -0.210 10.224 -15.828 438 HB2 ASP 57 1HB ASP 57 1.227 10.324 -13.603 439 HB3 ASP 57 2HB ASP 57 0.387 8.812 -13.265 440 HA PRO 58 HA PRO 58 -3.598 7.416 -16.018 441 HB2 PRO 58 1HB PRO 58 -2.531 5.602 -17.732 442 HB3 PRO 58 2HB PRO 58 -3.089 7.198 -18.248 443 HG2 PRO 58 1HG PRO 58 -0.308 6.264 -17.656 444 HG3 PRO 58 2HG PRO 58 -0.887 7.279 -18.990 445 HD2 PRO 58 1HD PRO 58 0.326 8.307 -16.797 446 HD3 PRO 58 2HD PRO 58 -0.938 9.180 -17.687 447 H SER 59 H SER 59 -0.802 6.849 -14.377 448 HA SER 59 HA SER 59 -1.335 4.021 -13.853 449 HB2 SER 59 1HB SER 59 0.965 5.841 -13.131 450 HB3 SER 59 2HB SER 59 0.802 4.210 -12.479 451 HG SER 59 HG SER 59 1.338 3.396 -14.359 452 H ASN 60 H ASN 60 -2.851 3.660 -12.371 453 HA ASN 60 HA ASN 60 -2.983 5.425 -10.022 454 HB2 ASN 60 1HB ASN 60 -5.280 4.621 -9.731 455 HB3 ASN 60 2HB ASN 60 -5.055 5.295 -11.342 456 HD21 ASN 60 1HD2 ASN 60 -6.585 2.956 -9.806 457 HD22 ASN 60 2HD2 ASN 60 -6.589 1.714 -11.008 458 H GLN 61 H GLN 61 -1.368 2.837 -10.732 459 HA GLN 61 HA GLN 61 -2.138 1.240 -8.395 460 HB2 GLN 61 1HB GLN 61 -0.738 -0.523 -9.343 461 HB3 GLN 61 2HB GLN 61 -1.930 0.026 -10.514 462 HG2 GLN 61 1HG GLN 61 -0.086 1.532 -11.426 463 HG3 GLN 61 2HG GLN 61 1.019 0.553 -10.462 464 HE21 GLN 61 1HE2 GLN 61 0.092 -1.942 -10.738 465 HE22 GLN 61 2HE2 GLN 61 0.139 -2.441 -12.391 466 H ILE 62 H ILE 62 -1.040 1.470 -6.572 467 HA ILE 62 HA ILE 62 1.320 3.083 -6.436 468 HB ILE 62 HB ILE 62 -0.215 1.501 -4.391 469 HG12 ILE 62 1HG1 ILE 62 0.402 4.452 -4.460 470 HG13 ILE 62 2HG1 ILE 62 -0.981 3.766 -5.306 471 HG21 ILE 62 1HG2 ILE 62 2.391 2.963 -4.020 472 HG22 ILE 62 2HG2 ILE 62 1.319 2.517 -2.693 473 HG23 ILE 62 3HG2 ILE 62 2.053 1.264 -3.694 474 HD11 ILE 62 1HD1 ILE 62 -1.108 2.755 -2.705 475 HD12 ILE 62 2HD1 ILE 62 -0.700 4.465 -2.545 476 HD13 ILE 62 3HD1 ILE 62 -2.141 3.981 -3.440 477 H LYS 63 H LYS 63 3.390 2.446 -5.698 478 HA LYS 63 HA LYS 63 4.015 -0.383 -6.235 479 HB2 LYS 63 1HB LYS 63 5.071 0.941 -7.902 480 HB3 LYS 63 2HB LYS 63 5.612 2.127 -6.722 481 HG2 LYS 63 1HG LYS 63 7.307 0.747 -5.925 482 HG3 LYS 63 2HG LYS 63 6.573 -0.706 -6.609 483 HD2 LYS 63 1HD LYS 63 7.192 -0.098 -8.810 484 HD3 LYS 63 2HD LYS 63 7.602 1.548 -8.318 485 HE2 LYS 63 1HE LYS 63 9.428 0.593 -6.913 486 HE3 LYS 63 2HE LYS 63 9.064 -0.990 -7.597 487 HZ1 LYS 63 1HZ LYS 63 9.979 1.406 -9.093 488 HZ2 LYS 63 2HZ LYS 63 9.535 -0.062 -9.807 489 HZ3 LYS 63 3HZ LYS 63 10.881 0.008 -8.783 490 H ILE 64 H ILE 64 4.945 -1.550 -4.671 491 HA ILE 64 HA ILE 64 6.055 -0.121 -2.344 492 HB ILE 64 HB ILE 64 5.263 -2.401 -1.182 493 HG12 ILE 64 1HG1 ILE 64 3.126 -1.846 -3.251 494 HG13 ILE 64 2HG1 ILE 64 4.230 -3.216 -3.298 495 HG21 ILE 64 1HG2 ILE 64 4.762 0.058 -0.665 496 HG22 ILE 64 2HG2 ILE 64 3.268 -0.196 -1.566 497 HG23 ILE 64 3HG2 ILE 64 3.599 -1.152 -0.121 498 HD11 ILE 64 1HD1 ILE 64 3.060 -3.272 -0.761 499 HD12 ILE 64 2HD1 ILE 64 1.755 -2.923 -1.895 500 HD13 ILE 64 3HD1 ILE 64 2.756 -4.358 -2.116 501 H THR 65 H THR 65 8.129 -0.554 -2.051 502 HA THR 65 HA THR 65 9.146 -3.206 -2.842 503 HB THR 65 HB THR 65 10.710 -0.625 -3.007 504 HG1 THR 65 HG1 THR 65 8.908 -0.930 -4.569 505 HG21 THR 65 1HG2 THR 65 12.322 -1.964 -4.255 506 HG22 THR 65 2HG2 THR 65 11.303 -3.390 -4.069 507 HG23 THR 65 3HG2 THR 65 12.056 -2.654 -2.655 508 H GLY 66 H GLY 66 10.708 -4.150 -1.525 509 HA2 GLY 66 1HA GLY 66 12.271 -3.228 0.437 510 HA3 GLY 66 2HA GLY 66 10.698 -3.183 1.217 511 H THR 67 H THR 67 11.162 -4.741 2.743 512 HA THR 67 HA THR 67 12.171 -7.328 1.948 513 HB THR 67 HB THR 67 11.894 -7.934 4.330 514 HG1 THR 67 HG1 THR 67 11.001 -5.248 4.669 515 HG21 THR 67 1HG2 THR 67 13.256 -5.278 3.863 516 HG22 THR 67 2HG2 THR 67 13.966 -6.871 3.610 517 HG23 THR 67 3HG2 THR 67 13.539 -6.343 5.238 518 H LYS 68 H LYS 68 11.052 -9.218 1.787 519 HA LYS 68 HA LYS 68 8.556 -9.403 0.829 520 HB2 LYS 68 1HB LYS 68 10.128 -11.310 1.099 521 HB3 LYS 68 2HB LYS 68 9.705 -11.383 2.805 522 HG2 LYS 68 1HG LYS 68 7.518 -11.547 0.798 523 HG3 LYS 68 2HG LYS 68 8.559 -12.952 1.038 524 HD2 LYS 68 1HD LYS 68 7.351 -11.560 3.394 525 HD3 LYS 68 2HD LYS 68 6.386 -12.695 2.449 526 HE2 LYS 68 1HE LYS 68 9.051 -13.314 3.721 527 HE3 LYS 68 2HE LYS 68 7.481 -13.752 4.394 528 HZ1 LYS 68 1HZ LYS 68 7.875 -15.650 3.281 529 HZ2 LYS 68 2HZ LYS 68 8.944 -14.935 2.183 530 HZ3 LYS 68 3HZ LYS 68 7.274 -14.787 1.956 531 H GLU 69 H GLU 69 9.387 -8.898 4.180 532 HA GLU 69 HA GLU 69 6.666 -9.294 5.096 533 HB2 GLU 69 1HB GLU 69 9.105 -8.279 6.565 534 HB3 GLU 69 2HB GLU 69 7.560 -8.667 7.305 535 HG2 GLU 69 1HG GLU 69 7.839 -10.941 7.015 536 HG3 GLU 69 2HG GLU 69 9.023 -10.734 5.725 537 H GLY 70 H GLY 70 8.940 -6.589 4.728 538 HA2 GLY 70 1HA GLY 70 7.342 -4.547 5.738 539 HA3 GLY 70 2HA GLY 70 8.579 -4.334 4.508 540 H ILE 71 H ILE 71 7.653 -5.570 2.336 541 HA ILE 71 HA ILE 71 5.754 -3.793 1.301 542 HB ILE 71 HB ILE 71 6.464 -6.530 0.238 543 HG12 ILE 71 1HG1 ILE 71 7.642 -3.854 -0.530 544 HG13 ILE 71 2HG1 ILE 71 8.396 -4.950 0.623 545 HG21 ILE 71 1HG2 ILE 71 4.720 -6.041 -1.107 546 HG22 ILE 71 2HG2 ILE 71 4.804 -4.313 -0.768 547 HG23 ILE 71 3HG2 ILE 71 5.913 -5.038 -1.932 548 HD11 ILE 71 1HD1 ILE 71 7.954 -6.570 -1.539 549 HD12 ILE 71 2HD1 ILE 71 8.363 -5.023 -2.281 550 HD13 ILE 71 3HD1 ILE 71 9.475 -5.773 -1.135 551 H GLU 72 H GLU 72 5.406 -7.108 2.502 552 HA GLU 72 HA GLU 72 2.748 -7.547 1.810 553 HB2 GLU 72 1HB GLU 72 4.444 -8.562 4.078 554 HB3 GLU 72 2HB GLU 72 2.765 -9.055 3.900 555 HG2 GLU 72 1HG GLU 72 4.648 -9.328 1.602 556 HG3 GLU 72 2HG GLU 72 4.663 -10.516 2.905 557 H LYS 73 H LYS 73 4.074 -6.163 4.804 558 HA LYS 73 HA LYS 73 1.662 -5.747 6.139 559 HB2 LYS 73 1HB LYS 73 4.311 -4.319 6.260 560 HB3 LYS 73 2HB LYS 73 2.962 -3.857 7.291 561 HG2 LYS 73 1HG LYS 73 3.063 -5.786 8.528 562 HG3 LYS 73 2HG LYS 73 3.825 -6.707 7.227 563 HD2 LYS 73 1HD LYS 73 5.929 -5.771 7.642 564 HD3 LYS 73 2HD LYS 73 5.250 -4.432 8.570 565 HE2 LYS 73 1HE LYS 73 4.414 -6.371 10.135 566 HE3 LYS 73 2HE LYS 73 5.736 -7.261 9.381 567 HZ1 LYS 73 1HZ LYS 73 6.169 -4.587 10.557 568 HZ2 LYS 73 2HZ LYS 73 7.307 -5.797 10.232 569 HZ3 LYS 73 3HZ LYS 73 6.221 -5.980 11.515 570 H ALA 74 H ALA 74 3.509 -3.447 4.137 571 HA ALA 74 HA ALA 74 1.661 -1.346 4.265 572 HB1 ALA 74 1HB ALA 74 4.065 -1.964 2.782 573 HB2 ALA 74 2HB ALA 74 2.890 -1.102 1.788 574 HB3 ALA 74 3HB ALA 74 3.436 -0.403 3.313 575 H ARG 75 H ARG 75 1.898 -4.111 2.097 576 HA ARG 75 HA ARG 75 -0.050 -3.253 0.233 577 HB2 ARG 75 1HB ARG 75 1.719 -5.206 0.143 578 HB3 ARG 75 2HB ARG 75 0.392 -6.155 0.799 579 HG2 ARG 75 1HG ARG 75 -1.000 -5.535 -1.110 580 HG3 ARG 75 2HG ARG 75 0.331 -4.580 -1.766 581 HD2 ARG 75 1HD ARG 75 1.568 -6.439 -2.326 582 HD3 ARG 75 2HD ARG 75 0.790 -7.451 -1.109 583 HE ARG 75 HE ARG 75 -0.924 -6.584 -3.271 584 HH11 ARG 75 1HH1 ARG 75 1.214 -9.047 -2.056 585 HH12 ARG 75 2HH1 ARG 75 0.559 -10.297 -3.062 586 HH21 ARG 75 1HH2 ARG 75 -1.796 -8.219 -4.601 587 HH22 ARG 75 2HH2 ARG 75 -1.153 -9.824 -4.510 588 H HIS 76 H HIS 76 -0.228 -5.167 3.195 589 HA HIS 76 HA HIS 76 -2.963 -5.875 2.933 590 HB2 HIS 76 1HB HIS 76 -1.232 -6.986 4.427 591 HB3 HIS 76 2HB HIS 76 -1.441 -5.628 5.528 592 HD1 HIS 76 HD1 HIS 76 -3.534 -8.365 3.930 593 HD2 HIS 76 HD2 HIS 76 -3.465 -5.951 7.310 594 HE1 HIS 76 HE1 HIS 76 -5.422 -9.181 5.377 595 H GLU 77 H GLU 77 -1.281 -3.162 4.412 596 HA GLU 77 HA GLU 77 -3.599 -2.079 5.683 597 HB2 GLU 77 1HB GLU 77 -0.964 -0.770 4.986 598 HB3 GLU 77 2HB GLU 77 -2.194 -0.078 6.034 599 HG2 GLU 77 1HG GLU 77 -0.861 -2.711 6.592 600 HG3 GLU 77 2HG GLU 77 -0.246 -1.169 7.185 601 H VAL 78 H VAL 78 -1.762 -1.187 2.768 602 HA VAL 78 HA VAL 78 -3.409 0.937 1.969 603 HB VAL 78 HB VAL 78 -1.100 0.315 1.068 604 HG11 VAL 78 1HG1 VAL 78 -1.054 -1.093 -0.923 605 HG12 VAL 78 2HG1 VAL 78 -1.617 -2.002 0.481 606 HG13 VAL 78 3HG1 VAL 78 -2.772 -1.439 -0.728 607 HG21 VAL 78 1HG2 VAL 78 -1.875 1.068 -1.333 608 HG22 VAL 78 2HG2 VAL 78 -3.415 1.318 -0.513 609 HG23 VAL 78 3HG2 VAL 78 -1.974 2.169 0.041 610 H LEU 79 H LEU 79 -3.729 -2.512 1.590 611 HA LEU 79 HA LEU 79 -5.809 -2.333 -0.400 612 HB2 LEU 79 1HB LEU 79 -4.442 -4.514 1.086 613 HB3 LEU 79 2HB LEU 79 -6.032 -4.848 0.401 614 HG LEU 79 HG LEU 79 -3.699 -3.836 -1.217 615 HD11 LEU 79 1HD1 LEU 79 -2.960 -5.930 -1.582 616 HD12 LEU 79 2HD1 LEU 79 -4.574 -6.633 -1.499 617 HD13 LEU 79 3HD1 LEU 79 -3.702 -6.249 -0.014 618 HD21 LEU 79 1HD2 LEU 79 -5.865 -5.388 -2.449 619 HD22 LEU 79 2HD2 LEU 79 -5.049 -3.928 -3.009 620 HD23 LEU 79 3HD2 LEU 79 -6.346 -3.813 -1.820 621 H LEU 80 H LEU 80 -5.593 -2.874 3.078 622 HA LEU 80 HA LEU 80 -8.310 -3.510 3.501 623 HB2 LEU 80 1HB LEU 80 -6.050 -2.598 5.209 624 HB3 LEU 80 2HB LEU 80 -7.683 -2.521 5.867 625 HG LEU 80 HG LEU 80 -6.274 -5.002 4.884 626 HD11 LEU 80 1HD1 LEU 80 -5.525 -3.979 7.074 627 HD12 LEU 80 2HD1 LEU 80 -6.093 -5.647 7.144 628 HD13 LEU 80 3HD1 LEU 80 -7.141 -4.336 7.684 629 HD21 LEU 80 1HD2 LEU 80 -9.067 -4.490 5.843 630 HD22 LEU 80 2HD2 LEU 80 -8.307 -6.069 6.048 631 HD23 LEU 80 3HD2 LEU 80 -8.523 -5.396 4.430 632 H ILE 81 H ILE 81 -6.533 -0.445 3.665 633 HA ILE 81 HA ILE 81 -8.700 1.147 4.506 634 HB ILE 81 HB ILE 81 -6.275 1.959 2.899 635 HG12 ILE 81 1HG1 ILE 81 -6.676 2.364 5.852 636 HG13 ILE 81 2HG1 ILE 81 -6.017 0.854 5.233 637 HG21 ILE 81 1HG2 ILE 81 -7.671 3.765 2.637 638 HG22 ILE 81 2HG2 ILE 81 -8.477 3.505 4.183 639 HG23 ILE 81 3HG2 ILE 81 -6.852 4.190 4.139 640 HD11 ILE 81 1HD1 ILE 81 -4.671 3.275 5.767 641 HD12 ILE 81 2HD1 ILE 81 -4.012 1.767 5.130 642 HD13 ILE 81 3HD1 ILE 81 -4.611 3.004 4.026 643 H SER 82 H SER 82 -7.262 0.848 1.253 644 HA SER 82 HA SER 82 -9.119 2.352 -0.137 645 HB2 SER 82 1HB SER 82 -7.733 -0.134 -1.169 646 HB3 SER 82 2HB SER 82 -8.381 1.188 -2.139 647 HG SER 82 HG SER 82 -6.716 2.415 -1.612 648 H ALA 83 H ALA 83 -9.262 -1.044 0.804 649 HA ALA 83 HA ALA 83 -11.542 -1.776 -0.657 650 HB1 ALA 83 1HB ALA 83 -10.058 -2.861 1.648 651 HB2 ALA 83 2HB ALA 83 -11.734 -3.388 1.485 652 HB3 ALA 83 3HB ALA 83 -10.595 -3.652 0.165 653 H GLU 84 H GLU 84 -11.249 -0.647 2.709 654 HA GLU 84 HA GLU 84 -13.960 -0.711 3.356 655 HB2 GLU 84 1HB GLU 84 -11.600 0.800 4.387 656 HB3 GLU 84 2HB GLU 84 -13.204 1.277 4.927 657 HG2 GLU 84 1HG GLU 84 -12.180 -1.540 5.122 658 HG3 GLU 84 2HG GLU 84 -11.976 -0.345 6.401 659 H GLN 85 H GLN 85 -12.124 1.584 1.498 660 HA GLN 85 HA GLN 85 -13.899 3.768 1.625 661 HB2 GLN 85 1HB GLN 85 -11.975 2.976 -0.568 662 HB3 GLN 85 2HB GLN 85 -12.764 4.543 -0.433 663 HG2 GLN 85 1HG GLN 85 -10.584 3.370 1.225 664 HG3 GLN 85 2HG GLN 85 -10.694 4.960 0.471 665 HE21 GLN 85 1HE2 GLN 85 -10.471 3.632 3.332 666 HE22 GLN 85 2HE2 GLN 85 -11.465 4.678 4.283 667 H ASP 86 H ASP 86 -13.675 1.020 -0.590 668 HA ASP 86 HA ASP 86 -15.561 1.786 -2.473 669 HB2 ASP 86 1HB ASP 86 -14.025 -0.288 -2.426 670 HB3 ASP 86 2HB ASP 86 -15.324 -1.059 -1.520 671 H LYS 87 H LYS 87 -16.017 1.101 0.812 672 HA LYS 87 HA LYS 87 -18.857 0.470 0.461 673 HB2 LYS 87 1HB LYS 87 -17.299 -0.821 2.049 674 HB3 LYS 87 2HB LYS 87 -17.389 0.596 3.087 675 HG2 LYS 87 1HG LYS 87 -19.923 0.314 2.951 676 HG3 LYS 87 2HG LYS 87 -19.582 -1.289 2.297 677 HD2 LYS 87 1HD LYS 87 -19.818 -1.681 4.580 678 HD3 LYS 87 2HD LYS 87 -18.069 -1.566 4.370 679 HE2 LYS 87 1HE LYS 87 -19.673 0.863 5.063 680 HE3 LYS 87 2HE LYS 87 -19.217 -0.288 6.319 681 HZ1 LYS 87 1HZ LYS 87 -16.884 0.063 5.083 682 HZ2 LYS 87 2HZ LYS 87 -17.384 0.984 6.412 683 HZ3 LYS 87 3HZ LYS 87 -17.572 1.591 4.844 684 H ARG 88 H ARG 88 -17.062 2.456 2.816 685 HA ARG 88 HA ARG 88 -17.797 4.332 3.948 686 HB2 ARG 88 1HB ARG 88 -17.838 5.093 1.028 687 HB3 ARG 88 2HB ARG 88 -18.023 6.269 2.322 688 HG2 ARG 88 1HG ARG 88 -15.669 4.432 2.309 689 HG3 ARG 88 2HG ARG 88 -15.690 5.858 1.269 690 HD2 ARG 88 1HD ARG 88 -14.731 6.759 3.133 691 HD3 ARG 88 2HD ARG 88 -16.429 7.046 3.506 692 HE ARG 88 HE ARG 88 -15.573 4.532 4.510 693 HH11 ARG 88 1HH1 ARG 88 -15.404 7.957 5.114 694 HH12 ARG 88 2HH1 ARG 88 -15.186 7.776 6.824 695 HH21 ARG 88 1HH2 ARG 88 -15.287 4.282 6.758 696 HH22 ARG 88 2HH2 ARG 88 -15.119 5.685 7.757 697 H SER 89 H SER 89 -19.929 2.551 3.728 698 HA SER 89 HA SER 89 -22.215 4.260 3.023 699 HB2 SER 89 1HB SER 89 -22.181 2.060 1.932 700 HB3 SER 89 2HB SER 89 -22.110 1.271 3.507 701 HG SER 89 HG SER 89 -24.244 1.366 2.647 702 H GLY 90 H GLY 90 -23.753 4.809 4.509 703 HA2 GLY 90 1HA GLY 90 -24.749 5.105 6.561 704 HA3 GLY 90 2HA GLY 90 -24.009 3.591 7.063 705 HA PRO 91 HA PRO 91 -20.948 7.255 8.020 706 HB2 PRO 91 1HB PRO 91 -22.162 9.666 8.305 707 HB3 PRO 91 2HB PRO 91 -21.489 9.105 6.769 708 HG2 PRO 91 1HG PRO 91 -24.329 9.077 7.717 709 HG3 PRO 91 2HG PRO 91 -23.684 9.516 6.123 710 HD2 PRO 91 1HD PRO 91 -24.800 7.101 6.629 711 HD3 PRO 91 2HD PRO 91 -23.481 7.318 5.461 712 H SER 92 H SER 92 -24.268 7.282 9.215 713 HA SER 92 HA SER 92 -23.371 7.952 11.908 714 HB2 SER 92 1HB SER 92 -26.080 7.683 10.619 715 HB3 SER 92 2HB SER 92 -25.904 7.776 12.371 716 HG SER 92 HG SER 92 -24.529 9.686 10.915 717 H SER 93 H SER 93 -23.202 6.534 13.541 718 HA SER 93 HA SER 93 -23.762 3.718 12.938 719 HB2 SER 93 1HB SER 93 -21.449 4.625 13.737 720 HB3 SER 93 2HB SER 93 -22.201 4.645 15.331 721 HG SER 93 HG SER 93 -22.761 2.377 14.848 722 H GLY 94 H GLY 94 -25.972 3.662 13.380 723 HA2 GLY 94 1HA GLY 94 -27.041 2.731 15.562 724 HA3 GLY 94 2HA GLY 94 -26.809 4.387 16.100 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -6.482 -29.547 16.457 2 HA2 GLY 1 1HA GLY 1 -6.149 -31.565 14.748 3 HA3 GLY 1 2HA GLY 1 -6.779 -30.330 13.669 4 H SER 2 H SER 2 -4.101 -31.712 13.955 5 HA SER 2 HA SER 2 -2.479 -29.253 13.994 6 HB2 SER 2 1HB SER 2 -1.939 -31.919 15.257 7 HB3 SER 2 2HB SER 2 -0.589 -30.927 14.707 8 HG SER 2 HG SER 2 -1.914 -29.227 15.989 9 H SER 3 H SER 3 -0.445 -29.449 12.733 10 HA SER 3 HA SER 3 -0.929 -31.039 10.305 11 HB2 SER 3 1HB SER 3 0.514 -29.383 9.156 12 HB3 SER 3 2HB SER 3 -0.893 -28.632 9.907 13 HG SER 3 HG SER 3 0.821 -27.388 10.482 14 H GLY 4 H GLY 4 1.760 -29.808 12.303 15 HA2 GLY 4 1HA GLY 4 3.679 -30.885 13.003 16 HA3 GLY 4 2HA GLY 4 3.048 -32.371 12.308 17 H SER 5 H SER 5 5.645 -30.574 12.190 18 HA SER 5 HA SER 5 6.212 -31.281 9.420 19 HB2 SER 5 1HB SER 5 6.534 -28.473 10.503 20 HB3 SER 5 2HB SER 5 7.208 -29.035 8.974 21 HG SER 5 HG SER 5 4.807 -29.703 8.691 22 H SER 6 H SER 6 8.283 -31.912 9.098 23 HA SER 6 HA SER 6 10.214 -31.446 11.267 24 HB2 SER 6 1HB SER 6 9.369 -34.040 10.036 25 HB3 SER 6 2HB SER 6 11.037 -33.856 10.579 26 HG SER 6 HG SER 6 9.818 -32.985 12.583 27 H GLY 7 H GLY 7 12.382 -31.294 10.654 28 HA2 GLY 7 1HA GLY 7 14.000 -31.735 8.782 29 HA3 GLY 7 2HA GLY 7 12.796 -30.984 7.744 30 H ASP 8 H ASP 8 14.762 -29.655 7.231 31 HA ASP 8 HA ASP 8 15.611 -27.742 9.208 32 HB2 ASP 8 1HB ASP 8 16.226 -28.193 6.303 33 HB3 ASP 8 2HB ASP 8 16.733 -26.706 7.101 34 H ILE 9 H ILE 9 15.560 -25.367 8.668 35 HA ILE 9 HA ILE 9 12.816 -24.610 8.164 36 HB ILE 9 HB ILE 9 15.241 -23.005 8.965 37 HG12 ILE 9 1HG1 ILE 9 13.575 -22.684 10.992 38 HG13 ILE 9 2HG1 ILE 9 12.880 -24.180 10.377 39 HG21 ILE 9 1HG2 ILE 9 13.131 -21.372 9.460 40 HG22 ILE 9 2HG2 ILE 9 14.162 -21.270 8.034 41 HG23 ILE 9 3HG2 ILE 9 12.628 -22.135 7.952 42 HD11 ILE 9 1HD1 ILE 9 15.690 -24.509 10.499 43 HD12 ILE 9 2HD1 ILE 9 15.143 -23.832 12.034 44 HD13 ILE 9 3HD1 ILE 9 14.439 -25.332 11.429 45 H VAL 10 H VAL 10 12.052 -23.369 6.494 46 HA VAL 10 HA VAL 10 13.499 -23.496 4.029 47 HB VAL 10 HB VAL 10 10.896 -22.104 4.676 48 HG11 VAL 10 1HG1 VAL 10 10.530 -22.188 2.223 49 HG12 VAL 10 2HG1 VAL 10 11.866 -21.137 2.697 50 HG13 VAL 10 3HG1 VAL 10 12.195 -22.737 2.029 51 HG21 VAL 10 1HG2 VAL 10 10.697 -24.463 5.056 52 HG22 VAL 10 2HG2 VAL 10 9.895 -24.080 3.532 53 HG23 VAL 10 3HG2 VAL 10 11.493 -24.827 3.524 54 H ALA 11 H ALA 11 15.172 -22.174 3.701 55 HA ALA 11 HA ALA 11 14.728 -19.295 3.978 56 HB1 ALA 11 1HB ALA 11 16.094 -19.085 5.711 57 HB2 ALA 11 2HB ALA 11 16.421 -20.820 5.699 58 HB3 ALA 11 3HB ALA 11 17.410 -19.728 4.729 59 H ARG 12 H ARG 12 15.193 -18.348 2.113 60 HA ARG 12 HA ARG 12 17.468 -19.313 0.539 61 HB2 ARG 12 1HB ARG 12 14.630 -19.037 -0.410 62 HB3 ARG 12 2HB ARG 12 15.977 -18.893 -1.531 63 HG2 ARG 12 1HG ARG 12 16.733 -21.163 -0.642 64 HG3 ARG 12 2HG ARG 12 15.122 -21.279 0.069 65 HD2 ARG 12 1HD ARG 12 15.557 -20.673 -2.843 66 HD3 ARG 12 2HD ARG 12 15.459 -22.324 -2.230 67 HE ARG 12 HE ARG 12 13.242 -20.749 -1.384 68 HH11 ARG 12 1HH1 ARG 12 14.541 -22.520 -4.085 69 HH12 ARG 12 2HH1 ARG 12 12.989 -22.850 -4.783 70 HH21 ARG 12 1HH2 ARG 12 11.194 -21.176 -2.292 71 HH22 ARG 12 2HH2 ARG 12 11.086 -22.084 -3.762 72 H LEU 13 H LEU 13 18.784 -17.617 0.454 73 HA LEU 13 HA LEU 13 17.921 -14.928 0.744 74 HB2 LEU 13 1HB LEU 13 20.548 -16.041 -0.227 75 HB3 LEU 13 2HB LEU 13 20.257 -14.355 0.198 76 HG LEU 13 HG LEU 13 19.884 -16.569 2.193 77 HD11 LEU 13 1HD1 LEU 13 22.070 -16.803 2.553 78 HD12 LEU 13 2HD1 LEU 13 22.367 -15.071 2.414 79 HD13 LEU 13 3HD1 LEU 13 22.293 -16.071 0.964 80 HD21 LEU 13 1HD2 LEU 13 19.053 -14.102 2.418 81 HD22 LEU 13 2HD2 LEU 13 20.750 -13.771 2.769 82 HD23 LEU 13 3HD2 LEU 13 19.845 -14.901 3.777 83 H GLN 14 H GLN 14 17.613 -13.329 -0.741 84 HA GLN 14 HA GLN 14 18.305 -13.610 -3.498 85 HB2 GLN 14 1HB GLN 14 16.147 -13.799 -4.470 86 HB3 GLN 14 2HB GLN 14 16.259 -15.075 -3.264 87 HG2 GLN 14 1HG GLN 14 14.978 -13.705 -1.698 88 HG3 GLN 14 2HG GLN 14 14.858 -12.434 -2.914 89 HE21 GLN 14 1HE2 GLN 14 12.750 -12.403 -3.372 90 HE22 GLN 14 2HE2 GLN 14 11.835 -13.758 -3.928 91 H THR 15 H THR 15 17.901 -11.706 -4.718 92 HA THR 15 HA THR 15 18.293 -9.314 -3.432 93 HB THR 15 HB THR 15 17.275 -8.254 -5.550 94 HG1 THR 15 HG1 THR 15 17.321 -10.983 -6.378 95 HG21 THR 15 1HG2 THR 15 19.710 -8.761 -5.118 96 HG22 THR 15 2HG2 THR 15 19.238 -8.717 -6.816 97 HG23 THR 15 3HG2 THR 15 19.474 -10.265 -6.006 98 H GLN 16 H GLN 16 16.698 -7.357 -3.777 99 HA GLN 16 HA GLN 16 14.474 -7.858 -2.051 100 HB2 GLN 16 1HB GLN 16 15.601 -5.444 -3.415 101 HB3 GLN 16 2HB GLN 16 13.992 -5.365 -2.709 102 HG2 GLN 16 1HG GLN 16 14.910 -6.008 -0.540 103 HG3 GLN 16 2HG GLN 16 16.521 -6.088 -1.248 104 HE21 GLN 16 1HE2 GLN 16 14.326 -4.165 0.359 105 HE22 GLN 16 2HE2 GLN 16 15.078 -2.631 0.106 106 H ALA 17 H ALA 17 12.248 -7.292 -2.535 107 HA ALA 17 HA ALA 17 11.562 -7.799 -5.358 108 HB1 ALA 17 1HB ALA 17 11.019 -9.619 -3.674 109 HB2 ALA 17 2HB ALA 17 9.809 -8.514 -3.024 110 HB3 ALA 17 3HB ALA 17 9.692 -9.066 -4.695 111 H SER 18 H SER 18 9.514 -6.875 -6.088 112 HA SER 18 HA SER 18 8.549 -4.587 -4.546 113 HB2 SER 18 1HB SER 18 8.612 -3.303 -6.834 114 HB3 SER 18 2HB SER 18 10.061 -3.380 -5.832 115 HG SER 18 HG SER 18 9.653 -5.409 -7.706 116 H ALA 19 H ALA 19 6.403 -4.433 -4.616 117 HA ALA 19 HA ALA 19 4.979 -5.783 -6.817 118 HB1 ALA 19 1HB ALA 19 4.142 -5.639 -3.922 119 HB2 ALA 19 2HB ALA 19 3.218 -6.380 -5.230 120 HB3 ALA 19 3HB ALA 19 4.773 -7.063 -4.751 121 H THR 20 H THR 20 2.568 -5.012 -6.800 122 HA THR 20 HA THR 20 2.403 -2.135 -6.265 123 HB THR 20 HB THR 20 1.150 -2.028 -8.566 124 HG1 THR 20 HG1 THR 20 2.574 -4.435 -8.675 125 HG21 THR 20 1HG2 THR 20 3.882 -1.596 -7.756 126 HG22 THR 20 2HG2 THR 20 2.884 -0.658 -8.868 127 HG23 THR 20 3HG2 THR 20 3.805 -2.039 -9.460 128 H VAL 21 H VAL 21 0.247 -1.309 -6.156 129 HA VAL 21 HA VAL 21 -1.840 -3.370 -5.900 130 HB VAL 21 HB VAL 21 -1.181 -2.811 -3.654 131 HG11 VAL 21 1HG1 VAL 21 -0.955 -0.654 -2.794 132 HG12 VAL 21 2HG1 VAL 21 -0.223 -0.545 -4.397 133 HG13 VAL 21 3HG1 VAL 21 -1.853 0.073 -4.127 134 HG21 VAL 21 1HG2 VAL 21 -3.473 -1.251 -3.287 135 HG22 VAL 21 2HG2 VAL 21 -3.794 -2.232 -4.718 136 HG23 VAL 21 3HG2 VAL 21 -3.350 -3.007 -3.197 137 H ALA 22 H ALA 22 -3.168 -2.959 -7.556 138 HA ALA 22 HA ALA 22 -3.557 -0.420 -8.730 139 HB1 ALA 22 1HB ALA 22 -4.662 -3.119 -9.060 140 HB2 ALA 22 2HB ALA 22 -5.754 -1.809 -9.511 141 HB3 ALA 22 3HB ALA 22 -4.168 -1.935 -10.272 142 H ILE 23 H ILE 23 -4.561 1.251 -7.842 143 HA ILE 23 HA ILE 23 -7.107 0.811 -6.466 144 HB ILE 23 HB ILE 23 -6.344 2.637 -4.802 145 HG12 ILE 23 1HG1 ILE 23 -3.654 1.512 -5.606 146 HG13 ILE 23 2HG1 ILE 23 -4.222 3.132 -5.995 147 HG21 ILE 23 1HG2 ILE 23 -6.260 -0.189 -4.771 148 HG22 ILE 23 2HG2 ILE 23 -4.856 0.394 -3.877 149 HG23 ILE 23 3HG2 ILE 23 -6.476 0.914 -3.411 150 HD11 ILE 23 1HD1 ILE 23 -2.781 2.361 -3.763 151 HD12 ILE 23 2HD1 ILE 23 -3.599 3.904 -4.016 152 HD13 ILE 23 3HD1 ILE 23 -4.425 2.596 -3.168 153 HA PRO 24 HA PRO 24 -8.469 4.353 -8.672 154 HB2 PRO 24 1HB PRO 24 -10.251 5.427 -6.928 155 HB3 PRO 24 2HB PRO 24 -10.563 3.936 -7.825 156 HG2 PRO 24 1HG PRO 24 -9.635 4.289 -5.000 157 HG3 PRO 24 2HG PRO 24 -10.845 3.167 -5.648 158 HD2 PRO 24 1HD PRO 24 -8.312 2.403 -5.070 159 HD3 PRO 24 2HD PRO 24 -9.251 1.678 -6.392 160 H LYS 25 H LYS 25 -7.913 6.450 -8.980 161 HA LYS 25 HA LYS 25 -5.884 7.646 -7.522 162 HB2 LYS 25 1HB LYS 25 -6.958 8.183 -9.886 163 HB3 LYS 25 2HB LYS 25 -7.838 9.389 -8.956 164 HG2 LYS 25 1HG LYS 25 -6.049 10.637 -9.571 165 HG3 LYS 25 2HG LYS 25 -5.409 9.955 -8.075 166 HD2 LYS 25 1HD LYS 25 -4.472 8.080 -9.530 167 HD3 LYS 25 2HD LYS 25 -4.839 9.121 -10.907 168 HE2 LYS 25 1HE LYS 25 -3.216 10.636 -10.369 169 HE3 LYS 25 2HE LYS 25 -3.319 10.296 -8.642 170 HZ1 LYS 25 1HZ LYS 25 -1.278 9.421 -9.321 171 HZ2 LYS 25 2HZ LYS 25 -1.918 8.742 -10.731 172 HZ3 LYS 25 3HZ LYS 25 -2.291 8.070 -9.224 173 H GLU 26 H GLU 26 -9.168 7.379 -6.729 174 HA GLU 26 HA GLU 26 -9.353 9.766 -5.135 175 HB2 GLU 26 1HB GLU 26 -11.544 9.158 -4.712 176 HB3 GLU 26 2HB GLU 26 -11.261 8.392 -6.269 177 HG2 GLU 26 1HG GLU 26 -10.541 6.367 -4.723 178 HG3 GLU 26 2HG GLU 26 -11.624 7.177 -3.592 179 H HIS 27 H HIS 27 -8.388 6.464 -4.650 180 HA HIS 27 HA HIS 27 -8.431 6.701 -1.753 181 HB2 HIS 27 1HB HIS 27 -7.601 4.463 -3.606 182 HB3 HIS 27 2HB HIS 27 -7.478 4.367 -1.851 183 HD1 HIS 27 HD1 HIS 27 -9.220 2.322 -3.148 184 HD2 HIS 27 HD2 HIS 27 -10.652 6.050 -1.999 185 HE1 HIS 27 HE1 HIS 27 -11.704 2.036 -2.884 186 H HIS 28 H HIS 28 -6.262 7.222 -4.345 187 HA HIS 28 HA HIS 28 -3.789 6.671 -3.190 188 HB2 HIS 28 1HB HIS 28 -4.740 8.530 -5.321 189 HB3 HIS 28 2HB HIS 28 -3.105 8.744 -4.703 190 HD2 HIS 28 HD2 HIS 28 -4.834 5.291 -5.555 191 HE1 HIS 28 HE1 HIS 28 -1.310 5.733 -7.875 192 HE2 HIS 28 HE2 HIS 28 -3.268 4.246 -7.329 193 H ARG 29 H ARG 29 -6.020 9.262 -2.604 194 HA ARG 29 HA ARG 29 -4.078 10.886 -1.194 195 HB2 ARG 29 1HB ARG 29 -5.882 12.443 -0.847 196 HB3 ARG 29 2HB ARG 29 -5.926 11.898 -2.518 197 HG2 ARG 29 1HG ARG 29 -7.869 10.716 -2.228 198 HG3 ARG 29 2HG ARG 29 -7.600 10.491 -0.498 199 HD2 ARG 29 1HD ARG 29 -9.404 12.039 -0.780 200 HD3 ARG 29 2HD ARG 29 -8.002 12.929 -0.189 201 HE ARG 29 HE ARG 29 -8.038 13.033 -2.994 202 HH11 ARG 29 1HH1 ARG 29 -9.798 14.237 -0.242 203 HH12 ARG 29 2HH1 ARG 29 -10.333 15.674 -1.049 204 HH21 ARG 29 1HH2 ARG 29 -8.736 14.922 -4.067 205 HH22 ARG 29 2HH2 ARG 29 -9.729 16.063 -3.225 206 H PHE 30 H PHE 30 -6.342 8.393 -0.487 207 HA PHE 30 HA PHE 30 -6.624 9.018 2.307 208 HB2 PHE 30 1HB PHE 30 -7.546 6.850 0.489 209 HB3 PHE 30 2HB PHE 30 -7.459 6.482 2.208 210 HD1 PHE 30 HD1 PHE 30 -8.432 8.584 3.675 211 HD2 PHE 30 HD2 PHE 30 -9.621 7.450 -0.251 212 HE1 PHE 30 HE1 PHE 30 -10.608 9.681 4.021 213 HE2 PHE 30 HE2 PHE 30 -11.797 8.546 0.088 214 HZ PHE 30 HZ PHE 30 -12.294 9.664 2.225 215 H VAL 31 H VAL 31 -4.227 7.581 0.420 216 HA VAL 31 HA VAL 31 -3.195 5.934 2.607 217 HB VAL 31 HB VAL 31 -2.144 6.243 -0.209 218 HG11 VAL 31 1HG1 VAL 31 -1.377 3.800 0.994 219 HG12 VAL 31 2HG1 VAL 31 -0.348 5.145 0.496 220 HG13 VAL 31 3HG1 VAL 31 -1.003 5.093 2.134 221 HG21 VAL 31 1HG2 VAL 31 -3.752 3.983 0.975 222 HG22 VAL 31 2HG2 VAL 31 -4.408 5.235 -0.079 223 HG23 VAL 31 3HG2 VAL 31 -3.183 4.122 -0.688 224 H ILE 32 H ILE 32 -2.557 8.887 0.870 225 HA ILE 32 HA ILE 32 0.097 9.233 1.930 226 HB ILE 32 HB ILE 32 -1.691 11.273 0.602 227 HG12 ILE 32 1HG1 ILE 32 0.583 9.904 -0.775 228 HG13 ILE 32 2HG1 ILE 32 -0.954 9.058 -0.632 229 HG21 ILE 32 1HG2 ILE 32 1.259 11.242 1.201 230 HG22 ILE 32 2HG2 ILE 32 0.493 12.386 0.101 231 HG23 ILE 32 3HG2 ILE 32 0.048 12.371 1.808 232 HD11 ILE 32 1HD1 ILE 32 -0.993 10.122 -2.720 233 HD12 ILE 32 2HD1 ILE 32 -2.010 11.110 -1.671 234 HD13 ILE 32 3HD1 ILE 32 -0.370 11.632 -2.055 235 H GLY 33 H GLY 33 -3.149 10.270 2.766 236 HA2 GLY 33 1HA GLY 33 -3.691 10.739 5.061 237 HA3 GLY 33 2HA GLY 33 -2.063 11.364 5.275 238 H LYS 34 H LYS 34 -5.062 12.365 5.375 239 HA LYS 34 HA LYS 34 -5.666 14.354 3.690 240 HB2 LYS 34 1HB LYS 34 -6.655 13.704 6.046 241 HB3 LYS 34 2HB LYS 34 -5.693 15.071 6.594 242 HG2 LYS 34 1HG LYS 34 -7.542 15.396 4.274 243 HG3 LYS 34 2HG LYS 34 -8.176 15.413 5.922 244 HD2 LYS 34 1HD LYS 34 -7.008 17.341 6.485 245 HD3 LYS 34 2HD LYS 34 -5.834 17.128 5.184 246 HE2 LYS 34 1HE LYS 34 -7.773 17.511 3.584 247 HE3 LYS 34 2HE LYS 34 -8.691 18.050 4.989 248 HZ1 LYS 34 1HZ LYS 34 -7.670 20.006 4.952 249 HZ2 LYS 34 2HZ LYS 34 -7.033 19.584 3.443 250 HZ3 LYS 34 3HZ LYS 34 -6.134 19.305 4.849 251 H ASN 35 H ASN 35 -3.233 14.619 6.261 252 HA ASN 35 HA ASN 35 -2.400 17.214 5.190 253 HB2 ASN 35 1HB ASN 35 -1.154 15.981 7.615 254 HB3 ASN 35 2HB ASN 35 -1.446 17.678 7.250 255 HD21 ASN 35 1HD2 ASN 35 -3.996 17.945 6.788 256 HD22 ASN 35 2HD2 ASN 35 -4.966 17.397 8.108 257 H GLY 36 H GLY 36 -1.481 13.905 5.278 258 HA2 GLY 36 1HA GLY 36 0.129 13.109 3.671 259 HA3 GLY 36 2HA GLY 36 1.023 14.605 3.892 260 H GLU 37 H GLU 37 -0.286 12.326 6.284 261 HA GLU 37 HA GLU 37 2.470 11.899 7.235 262 HB2 GLU 37 1HB GLU 37 1.451 11.629 9.521 263 HB3 GLU 37 2HB GLU 37 1.388 13.259 8.866 264 HG2 GLU 37 1HG GLU 37 -0.881 13.219 8.600 265 HG3 GLU 37 2HG GLU 37 -0.941 11.465 8.437 266 H LYS 38 H LYS 38 -0.432 10.509 6.147 267 HA LYS 38 HA LYS 38 -0.271 7.984 7.433 268 HB2 LYS 38 1HB LYS 38 -2.321 8.887 6.341 269 HB3 LYS 38 2HB LYS 38 -1.552 8.652 4.777 270 HG2 LYS 38 1HG LYS 38 -2.928 6.793 5.030 271 HG3 LYS 38 2HG LYS 38 -1.321 6.201 5.458 272 HD2 LYS 38 1HD LYS 38 -1.961 6.734 7.873 273 HD3 LYS 38 2HD LYS 38 -3.617 6.878 7.278 274 HE2 LYS 38 1HE LYS 38 -3.586 4.671 7.891 275 HE3 LYS 38 2HE LYS 38 -3.088 4.538 6.205 276 HZ1 LYS 38 1HZ LYS 38 -1.709 3.686 8.473 277 HZ2 LYS 38 2HZ LYS 38 -0.813 4.952 7.799 278 HZ3 LYS 38 3HZ LYS 38 -1.208 3.602 6.858 279 H LEU 39 H LEU 39 1.225 9.351 4.597 280 HA LEU 39 HA LEU 39 2.141 6.825 3.566 281 HB2 LEU 39 1HB LEU 39 1.920 8.319 1.853 282 HB3 LEU 39 2HB LEU 39 2.446 9.685 2.834 283 HG LEU 39 HG LEU 39 4.786 8.703 2.678 284 HD11 LEU 39 1HD1 LEU 39 3.616 6.506 1.714 285 HD12 LEU 39 2HD1 LEU 39 5.270 6.964 1.313 286 HD13 LEU 39 3HD1 LEU 39 3.958 7.331 0.193 287 HD21 LEU 39 1HD2 LEU 39 5.183 9.700 0.498 288 HD22 LEU 39 2HD2 LEU 39 4.042 10.677 1.424 289 HD23 LEU 39 3HD2 LEU 39 3.460 9.627 0.131 290 H GLN 40 H GLN 40 3.647 9.594 5.209 291 HA GLN 40 HA GLN 40 6.250 8.530 5.301 292 HB2 GLN 40 1HB GLN 40 6.800 10.346 6.619 293 HB3 GLN 40 2HB GLN 40 5.363 10.940 5.796 294 HG2 GLN 40 1HG GLN 40 4.009 10.401 7.746 295 HG3 GLN 40 2HG GLN 40 5.436 9.776 8.571 296 HE21 GLN 40 1HE2 GLN 40 5.849 11.150 10.158 297 HE22 GLN 40 2HE2 GLN 40 5.986 12.864 9.998 298 H ASP 41 H ASP 41 3.479 8.186 7.429 299 HA ASP 41 HA ASP 41 4.918 6.877 9.526 300 HB2 ASP 41 1HB ASP 41 2.599 8.120 9.568 301 HB3 ASP 41 2HB ASP 41 1.969 6.529 9.146 302 H LEU 42 H LEU 42 3.228 5.856 6.645 303 HA LEU 42 HA LEU 42 3.145 3.079 7.351 304 HB2 LEU 42 1HB LEU 42 2.500 4.708 4.957 305 HB3 LEU 42 2HB LEU 42 2.814 2.991 4.715 306 HG LEU 42 HG LEU 42 0.699 4.124 6.544 307 HD11 LEU 42 1HD1 LEU 42 -0.687 2.856 4.659 308 HD12 LEU 42 2HD1 LEU 42 0.697 3.352 3.685 309 HD13 LEU 42 3HD1 LEU 42 -0.262 4.563 4.536 310 HD21 LEU 42 1HD2 LEU 42 1.863 1.498 6.242 311 HD22 LEU 42 2HD2 LEU 42 0.134 1.480 5.891 312 HD23 LEU 42 3HD2 LEU 42 0.713 2.090 7.442 313 H GLU 43 H GLU 43 5.075 4.983 5.038 314 HA GLU 43 HA GLU 43 6.704 2.979 4.068 315 HB2 GLU 43 1HB GLU 43 7.071 5.917 4.467 316 HB3 GLU 43 2HB GLU 43 8.459 4.950 3.988 317 HG2 GLU 43 1HG GLU 43 7.195 4.144 2.038 318 HG3 GLU 43 2HG GLU 43 5.850 5.183 2.505 319 H LEU 44 H LEU 44 6.750 4.518 7.177 320 HA LEU 44 HA LEU 44 9.379 3.530 7.868 321 HB2 LEU 44 1HB LEU 44 7.268 5.118 9.257 322 HB3 LEU 44 2HB LEU 44 8.540 4.350 10.205 323 HG LEU 44 HG LEU 44 9.016 6.334 7.982 324 HD11 LEU 44 1HD1 LEU 44 9.831 7.508 10.310 325 HD12 LEU 44 2HD1 LEU 44 8.356 6.680 10.806 326 HD13 LEU 44 3HD1 LEU 44 8.312 7.838 9.477 327 HD21 LEU 44 1HD2 LEU 44 11.120 6.015 9.920 328 HD22 LEU 44 2HD2 LEU 44 11.175 5.848 8.165 329 HD23 LEU 44 3HD2 LEU 44 10.725 4.469 9.168 330 H LYS 45 H LYS 45 6.186 3.100 9.401 331 HA LYS 45 HA LYS 45 6.712 0.995 11.034 332 HB2 LYS 45 1HB LYS 45 4.509 2.213 10.722 333 HB3 LYS 45 2HB LYS 45 4.201 1.136 9.365 334 HG2 LYS 45 1HG LYS 45 4.325 -0.790 10.860 335 HG3 LYS 45 2HG LYS 45 4.641 0.288 12.222 336 HD2 LYS 45 1HD LYS 45 2.327 -0.241 12.291 337 HD3 LYS 45 2HD LYS 45 2.449 1.414 11.692 338 HE2 LYS 45 1HE LYS 45 2.295 0.486 9.370 339 HE3 LYS 45 2HE LYS 45 1.953 -1.088 10.086 340 HZ1 LYS 45 1HZ LYS 45 0.186 0.541 11.324 341 HZ2 LYS 45 2HZ LYS 45 -0.164 -0.439 9.991 342 HZ3 LYS 45 3HZ LYS 45 0.229 1.190 9.763 343 H THR 46 H THR 46 6.299 0.902 7.557 344 HA THR 46 HA THR 46 6.588 -2.016 7.560 345 HB THR 46 HB THR 46 5.839 -2.025 5.307 346 HG1 THR 46 HG1 THR 46 6.171 0.807 5.374 347 HG21 THR 46 1HG2 THR 46 3.970 -1.773 6.724 348 HG22 THR 46 2HG2 THR 46 3.728 -0.595 5.434 349 HG23 THR 46 3HG2 THR 46 4.316 -0.069 7.011 350 H ALA 47 H ALA 47 8.357 0.855 7.029 351 HA ALA 47 HA ALA 47 10.487 1.280 6.347 352 HB1 ALA 47 1HB ALA 47 11.343 -0.176 7.925 353 HB2 ALA 47 2HB ALA 47 10.645 -1.597 7.146 354 HB3 ALA 47 3HB ALA 47 12.043 -0.794 6.429 355 H THR 48 H THR 48 8.547 0.795 4.328 356 HA THR 48 HA THR 48 10.168 -0.502 2.235 357 HB THR 48 HB THR 48 8.054 -0.727 0.951 358 HG1 THR 48 HG1 THR 48 7.083 1.027 2.468 359 HG21 THR 48 1HG2 THR 48 8.930 -2.544 2.429 360 HG22 THR 48 2HG2 THR 48 7.184 -2.593 2.189 361 HG23 THR 48 3HG2 THR 48 7.849 -1.964 3.697 362 H LYS 49 H LYS 49 9.389 0.441 -0.033 363 HA LYS 49 HA LYS 49 9.630 3.371 0.172 364 HB2 LYS 49 1HB LYS 49 10.927 1.371 -1.611 365 HB3 LYS 49 2HB LYS 49 10.534 2.938 -2.304 366 HG2 LYS 49 1HG LYS 49 11.967 2.883 0.296 367 HG3 LYS 49 2HG LYS 49 12.863 2.462 -1.165 368 HD2 LYS 49 1HD LYS 49 11.196 4.954 -1.000 369 HD3 LYS 49 2HD LYS 49 12.865 4.917 -0.428 370 HE2 LYS 49 1HE LYS 49 12.017 4.102 -3.204 371 HE3 LYS 49 2HE LYS 49 12.569 5.723 -2.783 372 HZ1 LYS 49 1HZ LYS 49 14.631 5.019 -3.079 373 HZ2 LYS 49 2HZ LYS 49 14.107 3.437 -3.369 374 HZ3 LYS 49 3HZ LYS 49 14.451 3.938 -1.790 375 H ILE 50 H ILE 50 7.431 3.817 0.109 376 HA ILE 50 HA ILE 50 5.755 2.734 -1.970 377 HB ILE 50 HB ILE 50 5.191 4.968 -0.015 378 HG12 ILE 50 1HG1 ILE 50 4.175 2.137 0.140 379 HG13 ILE 50 2HG1 ILE 50 5.703 2.605 0.877 380 HG21 ILE 50 1HG2 ILE 50 2.836 3.657 -0.831 381 HG22 ILE 50 2HG2 ILE 50 3.330 5.314 -1.170 382 HG23 ILE 50 3HG2 ILE 50 3.750 4.023 -2.294 383 HD11 ILE 50 1HD1 ILE 50 3.038 2.930 1.859 384 HD12 ILE 50 2HD1 ILE 50 4.577 3.217 2.675 385 HD13 ILE 50 3HD1 ILE 50 3.829 4.501 1.726 386 H GLN 51 H GLN 51 5.440 3.550 -3.934 387 HA GLN 51 HA GLN 51 6.243 6.339 -4.437 388 HB2 GLN 51 1HB GLN 51 7.642 4.317 -5.415 389 HB3 GLN 51 2HB GLN 51 6.363 4.308 -6.621 390 HG2 GLN 51 1HG GLN 51 8.272 5.615 -7.360 391 HG3 GLN 51 2HG GLN 51 6.837 6.623 -7.174 392 HE21 GLN 51 1HE2 GLN 51 7.329 8.534 -6.399 393 HE22 GLN 51 2HE2 GLN 51 8.515 8.876 -5.191 394 H ILE 52 H ILE 52 4.479 7.506 -4.794 395 HA ILE 52 HA ILE 52 2.181 6.262 -6.129 396 HB ILE 52 HB ILE 52 2.377 8.815 -4.529 397 HG12 ILE 52 1HG1 ILE 52 0.810 6.297 -3.947 398 HG13 ILE 52 2HG1 ILE 52 2.422 6.600 -3.308 399 HG21 ILE 52 1HG2 ILE 52 0.034 9.122 -4.857 400 HG22 ILE 52 2HG2 ILE 52 0.776 8.930 -6.445 401 HG23 ILE 52 3HG2 ILE 52 -0.104 7.588 -5.715 402 HD11 ILE 52 1HD1 ILE 52 0.910 7.194 -1.610 403 HD12 ILE 52 2HD1 ILE 52 1.483 8.713 -2.300 404 HD13 ILE 52 3HD1 ILE 52 -0.112 8.095 -2.728 405 HA PRO 53 HA PRO 53 3.118 8.457 -9.850 406 HB2 PRO 53 1HB PRO 53 0.723 8.108 -11.080 407 HB3 PRO 53 2HB PRO 53 1.920 6.817 -10.925 408 HG2 PRO 53 1HG PRO 53 -0.525 7.340 -9.280 409 HG3 PRO 53 2HG PRO 53 0.095 5.800 -9.905 410 HD2 PRO 53 1HD PRO 53 0.470 6.588 -7.342 411 HD3 PRO 53 2HD PRO 53 1.654 5.598 -8.219 412 H ARG 54 H ARG 54 2.813 10.477 -10.701 413 HA ARG 54 HA ARG 54 1.817 12.528 -9.174 414 HB2 ARG 54 1HB ARG 54 2.414 12.234 -12.081 415 HB3 ARG 54 2HB ARG 54 1.560 13.678 -11.551 416 HG2 ARG 54 1HG ARG 54 3.409 14.070 -9.915 417 HG3 ARG 54 2HG ARG 54 4.280 12.737 -10.678 418 HD2 ARG 54 1HD ARG 54 3.912 14.024 -12.871 419 HD3 ARG 54 2HD ARG 54 3.514 15.397 -11.838 420 HE ARG 54 HE ARG 54 5.960 14.320 -10.995 421 HH11 ARG 54 1HH1 ARG 54 4.592 16.028 -13.703 422 HH12 ARG 54 2HH1 ARG 54 6.081 16.800 -14.136 423 HH21 ARG 54 1HH2 ARG 54 7.926 15.331 -11.555 424 HH22 ARG 54 2HH2 ARG 54 7.978 16.402 -12.915 425 HA PRO 55 HA PRO 55 -2.556 12.606 -9.512 426 HB2 PRO 55 1HB PRO 55 -3.070 15.269 -9.648 427 HB3 PRO 55 2HB PRO 55 -2.525 14.470 -8.168 428 HG2 PRO 55 1HG PRO 55 -0.944 16.044 -10.166 429 HG3 PRO 55 2HG PRO 55 -0.866 16.084 -8.394 430 HD2 PRO 55 1HD PRO 55 0.929 14.728 -9.901 431 HD3 PRO 55 2HD PRO 55 0.438 14.187 -8.284 432 H ASP 56 H ASP 56 -0.615 13.904 -12.026 433 HA ASP 56 HA ASP 56 -2.919 14.225 -13.810 434 HB2 ASP 56 1HB ASP 56 -1.079 15.993 -13.617 435 HB3 ASP 56 2HB ASP 56 -0.049 14.854 -14.481 436 H ASP 57 H ASP 57 -0.266 12.138 -13.120 437 HA ASP 57 HA ASP 57 -0.087 10.861 -15.654 438 HB2 ASP 57 1HB ASP 57 1.598 10.846 -13.678 439 HB3 ASP 57 2HB ASP 57 0.621 9.515 -13.061 440 HA PRO 58 HA PRO 58 -3.699 8.339 -15.538 441 HB2 PRO 58 1HB PRO 58 -2.945 6.474 -17.362 442 HB3 PRO 58 2HB PRO 58 -3.424 8.116 -17.808 443 HG2 PRO 58 1HG PRO 58 -0.679 6.963 -17.495 444 HG3 PRO 58 2HG PRO 58 -1.302 8.040 -18.758 445 HD2 PRO 58 1HD PRO 58 0.191 8.937 -16.685 446 HD3 PRO 58 2HD PRO 58 -1.081 9.919 -17.442 447 H SER 59 H SER 59 -0.752 7.482 -14.267 448 HA SER 59 HA SER 59 -1.283 4.686 -13.802 449 HB2 SER 59 1HB SER 59 0.824 6.497 -12.598 450 HB3 SER 59 2HB SER 59 0.779 4.740 -12.465 451 HG SER 59 HG SER 59 1.256 4.553 -14.584 452 H ASN 60 H ASN 60 -2.576 3.930 -12.273 453 HA ASN 60 HA ASN 60 -3.012 5.566 -9.860 454 HB2 ASN 60 1HB ASN 60 -5.291 4.635 -9.753 455 HB3 ASN 60 2HB ASN 60 -5.023 5.523 -11.250 456 HD21 ASN 60 1HD2 ASN 60 -6.303 2.790 -9.978 457 HD22 ASN 60 2HD2 ASN 60 -6.291 1.781 -11.380 458 H GLN 61 H GLN 61 -1.156 3.251 -10.584 459 HA GLN 61 HA GLN 61 -2.005 1.384 -8.473 460 HB2 GLN 61 1HB GLN 61 -0.345 -0.186 -9.540 461 HB3 GLN 61 2HB GLN 61 -1.751 0.202 -10.523 462 HG2 GLN 61 1HG GLN 61 -0.514 1.604 -11.938 463 HG3 GLN 61 2HG GLN 61 0.844 1.676 -10.814 464 HE21 GLN 61 1HE2 GLN 61 -1.002 -1.114 -11.947 465 HE22 GLN 61 2HE2 GLN 61 0.335 -1.927 -12.678 466 H ILE 62 H ILE 62 -0.968 1.528 -6.607 467 HA ILE 62 HA ILE 62 1.366 3.158 -6.307 468 HB ILE 62 HB ILE 62 -0.221 1.455 -4.406 469 HG12 ILE 62 1HG1 ILE 62 0.370 4.422 -4.478 470 HG13 ILE 62 2HG1 ILE 62 -1.098 3.675 -5.097 471 HG21 ILE 62 1HG2 ILE 62 1.273 2.430 -2.613 472 HG22 ILE 62 2HG2 ILE 62 1.977 1.152 -3.603 473 HG23 ILE 62 3HG2 ILE 62 2.401 2.838 -3.907 474 HD11 ILE 62 1HD1 ILE 62 -1.872 4.250 -3.065 475 HD12 ILE 62 2HD1 ILE 62 -1.135 2.715 -2.602 476 HD13 ILE 62 3HD1 ILE 62 -0.272 4.228 -2.325 477 H LYS 63 H LYS 63 3.436 2.523 -5.648 478 HA LYS 63 HA LYS 63 4.095 -0.283 -6.261 479 HB2 LYS 63 1HB LYS 63 5.116 1.182 -7.866 480 HB3 LYS 63 2HB LYS 63 5.721 2.240 -6.598 481 HG2 LYS 63 1HG LYS 63 7.196 0.443 -5.818 482 HG3 LYS 63 2HG LYS 63 6.608 -0.591 -7.121 483 HD2 LYS 63 1HD LYS 63 7.683 2.090 -7.830 484 HD3 LYS 63 2HD LYS 63 8.828 0.829 -7.366 485 HE2 LYS 63 1HE LYS 63 8.705 0.490 -9.633 486 HE3 LYS 63 2HE LYS 63 7.452 -0.613 -9.068 487 HZ1 LYS 63 1HZ LYS 63 6.187 1.799 -9.410 488 HZ2 LYS 63 2HZ LYS 63 6.083 0.452 -10.429 489 HZ3 LYS 63 3HZ LYS 63 7.213 1.670 -10.750 490 H ILE 64 H ILE 64 5.077 -1.490 -4.753 491 HA ILE 64 HA ILE 64 6.143 -0.133 -2.366 492 HB ILE 64 HB ILE 64 5.364 -2.456 -1.282 493 HG12 ILE 64 1HG1 ILE 64 3.275 -1.855 -3.387 494 HG13 ILE 64 2HG1 ILE 64 4.343 -3.254 -3.381 495 HG21 ILE 64 1HG2 ILE 64 4.817 0.040 -0.774 496 HG22 ILE 64 2HG2 ILE 64 3.286 -0.332 -1.566 497 HG23 ILE 64 3HG2 ILE 64 3.780 -1.236 -0.135 498 HD11 ILE 64 1HD1 ILE 64 3.043 -3.200 -0.884 499 HD12 ILE 64 2HD1 ILE 64 1.818 -2.921 -2.121 500 HD13 ILE 64 3HD1 ILE 64 2.839 -4.355 -2.201 501 H THR 65 H THR 65 8.245 -0.505 -2.210 502 HA THR 65 HA THR 65 9.273 -3.147 -3.025 503 HB THR 65 HB THR 65 10.807 -0.545 -3.159 504 HG1 THR 65 HG1 THR 65 9.526 -0.316 -4.865 505 HG21 THR 65 1HG2 THR 65 11.949 -2.397 -4.867 506 HG22 THR 65 2HG2 THR 65 11.515 -3.352 -3.448 507 HG23 THR 65 3HG2 THR 65 12.554 -1.938 -3.276 508 H GLY 66 H GLY 66 10.678 -4.180 -1.667 509 HA2 GLY 66 1HA GLY 66 12.328 -3.267 0.268 510 HA3 GLY 66 2HA GLY 66 10.759 -3.224 1.060 511 H THR 67 H THR 67 11.140 -4.816 2.550 512 HA THR 67 HA THR 67 12.176 -7.388 1.737 513 HB THR 67 HB THR 67 11.859 -8.035 4.097 514 HG1 THR 67 HG1 THR 67 10.433 -5.627 4.116 515 HG21 THR 67 1HG2 THR 67 13.474 -5.793 3.170 516 HG22 THR 67 2HG2 THR 67 13.923 -7.169 4.177 517 HG23 THR 67 3HG2 THR 67 13.175 -5.748 4.906 518 H LYS 68 H LYS 68 10.997 -9.399 2.401 519 HA LYS 68 HA LYS 68 8.502 -9.534 1.100 520 HB2 LYS 68 1HB LYS 68 10.200 -11.401 2.667 521 HB3 LYS 68 2HB LYS 68 8.501 -11.825 2.501 522 HG2 LYS 68 1HG LYS 68 8.734 -11.649 0.049 523 HG3 LYS 68 2HG LYS 68 10.458 -11.337 0.266 524 HD2 LYS 68 1HD LYS 68 10.605 -13.526 1.481 525 HD3 LYS 68 2HD LYS 68 8.937 -13.836 0.995 526 HE2 LYS 68 1HE LYS 68 10.953 -13.096 -1.076 527 HE3 LYS 68 2HE LYS 68 10.940 -14.739 -0.436 528 HZ1 LYS 68 1HZ LYS 68 9.220 -13.571 -2.345 529 HZ2 LYS 68 2HZ LYS 68 8.310 -14.090 -1.018 530 HZ3 LYS 68 3HZ LYS 68 9.305 -15.183 -1.840 531 H GLU 69 H GLU 69 9.388 -8.904 4.390 532 HA GLU 69 HA GLU 69 6.685 -9.356 5.371 533 HB2 GLU 69 1HB GLU 69 9.215 -8.457 6.755 534 HB3 GLU 69 2HB GLU 69 7.667 -8.643 7.567 535 HG2 GLU 69 1HG GLU 69 7.660 -10.974 7.242 536 HG3 GLU 69 2HG GLU 69 8.977 -10.891 6.073 537 H GLY 70 H GLY 70 8.919 -6.689 4.766 538 HA2 GLY 70 1HA GLY 70 7.347 -4.632 5.883 539 HA3 GLY 70 2HA GLY 70 8.593 -4.419 4.661 540 H ILE 71 H ILE 71 7.688 -5.622 2.474 541 HA ILE 71 HA ILE 71 5.835 -3.844 1.403 542 HB ILE 71 HB ILE 71 6.461 -6.632 0.424 543 HG12 ILE 71 1HG1 ILE 71 7.685 -3.989 -0.390 544 HG13 ILE 71 2HG1 ILE 71 8.442 -5.134 0.711 545 HG21 ILE 71 1HG2 ILE 71 4.634 -6.096 -0.836 546 HG22 ILE 71 2HG2 ILE 71 4.919 -4.361 -0.712 547 HG23 ILE 71 3HG2 ILE 71 5.896 -5.339 -1.807 548 HD11 ILE 71 1HD1 ILE 71 9.462 -5.790 -1.186 549 HD12 ILE 71 2HD1 ILE 71 7.997 -6.758 -1.360 550 HD13 ILE 71 3HD1 ILE 71 8.149 -5.227 -2.220 551 H GLU 72 H GLU 72 5.360 -7.080 2.749 552 HA GLU 72 HA GLU 72 2.684 -7.444 2.051 553 HB2 GLU 72 1HB GLU 72 4.315 -8.449 4.376 554 HB3 GLU 72 2HB GLU 72 2.633 -8.909 4.153 555 HG2 GLU 72 1HG GLU 72 4.603 -9.280 1.940 556 HG3 GLU 72 2HG GLU 72 4.505 -10.445 3.259 557 H LYS 73 H LYS 73 4.066 -6.040 5.013 558 HA LYS 73 HA LYS 73 1.712 -5.496 6.369 559 HB2 LYS 73 1HB LYS 73 4.417 -4.206 6.353 560 HB3 LYS 73 2HB LYS 73 3.114 -3.489 7.290 561 HG2 LYS 73 1HG LYS 73 2.877 -5.483 8.599 562 HG3 LYS 73 2HG LYS 73 4.034 -6.339 7.579 563 HD2 LYS 73 1HD LYS 73 5.648 -4.411 8.263 564 HD3 LYS 73 2HD LYS 73 4.513 -4.183 9.596 565 HE2 LYS 73 1HE LYS 73 6.101 -5.642 10.474 566 HE3 LYS 73 2HE LYS 73 4.787 -6.710 9.984 567 HZ1 LYS 73 1HZ LYS 73 6.190 -7.794 8.684 568 HZ2 LYS 73 2HZ LYS 73 7.456 -6.786 9.175 569 HZ3 LYS 73 3HZ LYS 73 6.533 -6.383 7.815 570 H ALA 74 H ALA 74 3.506 -3.335 4.175 571 HA ALA 74 HA ALA 74 1.631 -1.231 4.252 572 HB1 ALA 74 1HB ALA 74 3.500 -0.365 3.369 573 HB2 ALA 74 2HB ALA 74 4.013 -1.910 2.689 574 HB3 ALA 74 3HB ALA 74 2.833 -0.918 1.832 575 H ARG 75 H ARG 75 1.965 -4.043 2.150 576 HA ARG 75 HA ARG 75 0.025 -3.296 0.244 577 HB2 ARG 75 1HB ARG 75 1.816 -5.244 0.285 578 HB3 ARG 75 2HB ARG 75 0.463 -6.171 0.920 579 HG2 ARG 75 1HG ARG 75 -0.766 -5.957 -1.038 580 HG3 ARG 75 2HG ARG 75 0.174 -4.569 -1.590 581 HD2 ARG 75 1HD ARG 75 2.156 -6.167 -1.706 582 HD3 ARG 75 2HD ARG 75 0.975 -7.466 -1.531 583 HE ARG 75 HE ARG 75 1.516 -5.955 -3.883 584 HH11 ARG 75 1HH1 ARG 75 -1.016 -7.586 -2.135 585 HH12 ARG 75 2HH1 ARG 75 -1.967 -7.901 -3.548 586 HH21 ARG 75 1HH2 ARG 75 0.273 -6.364 -5.751 587 HH22 ARG 75 2HH2 ARG 75 -1.232 -7.207 -5.605 588 H HIS 76 H HIS 76 -0.188 -4.896 3.355 589 HA HIS 76 HA HIS 76 -2.907 -5.722 3.065 590 HB2 HIS 76 1HB HIS 76 -1.173 -6.705 4.656 591 HB3 HIS 76 2HB HIS 76 -1.453 -5.295 5.673 592 HD1 HIS 76 HD1 HIS 76 -3.572 -8.022 4.062 593 HD2 HIS 76 HD2 HIS 76 -3.366 -5.735 7.525 594 HE1 HIS 76 HE1 HIS 76 -5.439 -8.852 5.528 595 H GLU 77 H GLU 77 -1.284 -2.931 4.489 596 HA GLU 77 HA GLU 77 -3.636 -1.798 5.625 597 HB2 GLU 77 1HB GLU 77 -0.933 -0.634 4.959 598 HB3 GLU 77 2HB GLU 77 -2.211 0.295 5.730 599 HG2 GLU 77 1HG GLU 77 -1.082 -2.253 6.856 600 HG3 GLU 77 2HG GLU 77 -0.505 -0.644 7.285 601 H VAL 78 H VAL 78 -1.755 -1.028 2.701 602 HA VAL 78 HA VAL 78 -3.345 1.040 1.739 603 HB VAL 78 HB VAL 78 -1.091 0.237 0.845 604 HG11 VAL 78 1HG1 VAL 78 -2.823 -1.503 -0.900 605 HG12 VAL 78 2HG1 VAL 78 -1.063 -1.381 -0.905 606 HG13 VAL 78 3HG1 VAL 78 -1.893 -2.109 0.470 607 HG21 VAL 78 1HG2 VAL 78 -1.550 1.105 -1.399 608 HG22 VAL 78 2HG2 VAL 78 -3.282 0.922 -1.114 609 HG23 VAL 78 3HG2 VAL 78 -2.347 2.071 -0.156 610 H LEU 79 H LEU 79 -3.677 -2.451 1.329 611 HA LEU 79 HA LEU 79 -5.856 -2.286 -0.507 612 HB2 LEU 79 1HB LEU 79 -4.528 -4.440 1.055 613 HB3 LEU 79 2HB LEU 79 -6.138 -4.751 0.408 614 HG LEU 79 HG LEU 79 -3.893 -3.813 -1.352 615 HD11 LEU 79 1HD1 LEU 79 -4.022 -6.455 -1.867 616 HD12 LEU 79 2HD1 LEU 79 -4.291 -6.458 -0.125 617 HD13 LEU 79 3HD1 LEU 79 -2.835 -5.718 -0.790 618 HD21 LEU 79 1HD2 LEU 79 -6.358 -5.448 -1.936 619 HD22 LEU 79 2HD2 LEU 79 -5.219 -4.779 -3.106 620 HD23 LEU 79 3HD2 LEU 79 -6.241 -3.702 -2.154 621 H LEU 80 H LEU 80 -5.588 -2.814 2.985 622 HA LEU 80 HA LEU 80 -8.274 -3.332 3.533 623 HB2 LEU 80 1HB LEU 80 -5.975 -2.271 5.094 624 HB3 LEU 80 2HB LEU 80 -7.589 -2.137 5.790 625 HG LEU 80 HG LEU 80 -6.278 -4.717 4.937 626 HD11 LEU 80 1HD1 LEU 80 -5.147 -4.546 6.846 627 HD12 LEU 80 2HD1 LEU 80 -6.692 -4.770 7.666 628 HD13 LEU 80 3HD1 LEU 80 -6.081 -3.144 7.365 629 HD21 LEU 80 1HD2 LEU 80 -8.224 -5.739 5.299 630 HD22 LEU 80 2HD2 LEU 80 -8.962 -4.138 5.244 631 HD23 LEU 80 3HD2 LEU 80 -8.504 -4.847 6.794 632 H ILE 81 H ILE 81 -6.528 -0.242 3.441 633 HA ILE 81 HA ILE 81 -8.628 1.418 4.230 634 HB ILE 81 HB ILE 81 -6.308 1.988 2.388 635 HG12 ILE 81 1HG1 ILE 81 -6.632 3.019 5.184 636 HG13 ILE 81 2HG1 ILE 81 -6.074 1.369 4.930 637 HG21 ILE 81 1HG2 ILE 81 -7.214 3.952 1.898 638 HG22 ILE 81 2HG2 ILE 81 -8.640 3.549 2.853 639 HG23 ILE 81 3HG2 ILE 81 -7.267 4.351 3.615 640 HD11 ILE 81 1HD1 ILE 81 -4.028 2.181 4.738 641 HD12 ILE 81 2HD1 ILE 81 -4.527 2.941 3.226 642 HD13 ILE 81 3HD1 ILE 81 -4.629 3.838 4.741 643 H SER 82 H SER 82 -7.531 0.692 0.913 644 HA SER 82 HA SER 82 -9.508 2.060 -0.461 645 HB2 SER 82 1HB SER 82 -8.998 0.602 -2.361 646 HB3 SER 82 2HB SER 82 -7.514 1.073 -1.534 647 HG SER 82 HG SER 82 -8.890 -1.400 -1.341 648 H ALA 83 H ALA 83 -9.524 -1.300 0.681 649 HA ALA 83 HA ALA 83 -11.965 -2.103 -0.378 650 HB1 ALA 83 1HB ALA 83 -11.464 -4.000 0.661 651 HB2 ALA 83 2HB ALA 83 -10.055 -3.187 1.344 652 HB3 ALA 83 3HB ALA 83 -11.572 -3.227 2.244 653 H GLU 84 H GLU 84 -11.291 -0.641 2.798 654 HA GLU 84 HA GLU 84 -13.881 -0.641 3.802 655 HB2 GLU 84 1HB GLU 84 -11.524 1.166 4.261 656 HB3 GLU 84 2HB GLU 84 -13.059 1.462 5.066 657 HG2 GLU 84 1HG GLU 84 -11.899 -1.264 5.232 658 HG3 GLU 84 2HG GLU 84 -11.153 0.022 6.179 659 H GLN 85 H GLN 85 -12.347 1.520 1.516 660 HA GLN 85 HA GLN 85 -14.295 3.572 1.584 661 HB2 GLN 85 1HB GLN 85 -12.408 2.772 -0.640 662 HB3 GLN 85 2HB GLN 85 -13.320 4.274 -0.576 663 HG2 GLN 85 1HG GLN 85 -11.129 3.394 1.285 664 HG3 GLN 85 2HG GLN 85 -11.078 4.708 0.112 665 HE21 GLN 85 1HE2 GLN 85 -10.583 4.815 2.954 666 HE22 GLN 85 2HE2 GLN 85 -11.730 5.925 3.614 667 H ASP 86 H ASP 86 -13.929 0.661 -0.387 668 HA ASP 86 HA ASP 86 -15.865 1.041 -2.294 669 HB2 ASP 86 1HB ASP 86 -14.606 -0.922 -2.505 670 HB3 ASP 86 2HB ASP 86 -14.935 -1.422 -0.848 671 H LYS 87 H LYS 87 -16.364 -0.453 0.904 672 HA LYS 87 HA LYS 87 -19.115 -0.807 0.730 673 HB2 LYS 87 1HB LYS 87 -17.441 -1.593 2.540 674 HB3 LYS 87 2HB LYS 87 -17.765 -0.043 3.305 675 HG2 LYS 87 1HG LYS 87 -20.253 -0.743 3.082 676 HG3 LYS 87 2HG LYS 87 -19.590 -2.369 2.897 677 HD2 LYS 87 1HD LYS 87 -19.847 -2.316 5.167 678 HD3 LYS 87 2HD LYS 87 -18.212 -1.661 5.042 679 HE2 LYS 87 1HE LYS 87 -20.534 0.207 4.951 680 HE3 LYS 87 2HE LYS 87 -20.042 -0.468 6.503 681 HZ1 LYS 87 1HZ LYS 87 -18.442 1.213 4.664 682 HZ2 LYS 87 2HZ LYS 87 -17.744 0.339 5.934 683 HZ3 LYS 87 3HZ LYS 87 -18.883 1.546 6.263 684 H ARG 88 H ARG 88 -17.310 2.081 1.025 685 HA ARG 88 HA ARG 88 -19.550 3.613 2.082 686 HB2 ARG 88 1HB ARG 88 -16.798 4.523 1.226 687 HB3 ARG 88 2HB ARG 88 -18.000 5.513 2.040 688 HG2 ARG 88 1HG ARG 88 -17.113 2.982 3.329 689 HG3 ARG 88 2HG ARG 88 -16.048 4.389 3.372 690 HD2 ARG 88 1HD ARG 88 -18.914 4.335 4.310 691 HD3 ARG 88 2HD ARG 88 -17.497 4.245 5.356 692 HE ARG 88 HE ARG 88 -17.150 6.535 3.901 693 HH11 ARG 88 1HH1 ARG 88 -19.627 5.286 6.005 694 HH12 ARG 88 2HH1 ARG 88 -20.133 6.849 6.552 695 HH21 ARG 88 1HH2 ARG 88 -17.809 8.600 4.614 696 HH22 ARG 88 2HH2 ARG 88 -19.100 8.733 5.760 697 H SER 89 H SER 89 -20.239 2.463 -0.288 698 HA SER 89 HA SER 89 -19.916 4.525 -2.345 699 HB2 SER 89 1HB SER 89 -20.941 2.841 -3.864 700 HB3 SER 89 2HB SER 89 -19.475 2.252 -3.082 701 HG SER 89 HG SER 89 -20.698 1.009 -1.728 702 H GLY 90 H GLY 90 -22.389 2.842 -0.467 703 HA2 GLY 90 1HA GLY 90 -24.412 4.688 -1.557 704 HA3 GLY 90 2HA GLY 90 -24.761 3.137 -0.806 705 HA PRO 91 HA PRO 91 -25.616 6.372 2.359 706 HB2 PRO 91 1HB PRO 91 -27.843 5.150 3.319 707 HB3 PRO 91 2HB PRO 91 -27.869 6.236 1.925 708 HG2 PRO 91 1HG PRO 91 -27.836 3.244 1.994 709 HG3 PRO 91 2HG PRO 91 -28.795 4.329 0.970 710 HD2 PRO 91 1HD PRO 91 -26.554 3.093 0.085 711 HD3 PRO 91 2HD PRO 91 -27.048 4.698 -0.489 712 H SER 92 H SER 92 -25.727 6.157 4.704 713 HA SER 92 HA SER 92 -24.239 3.804 5.612 714 HB2 SER 92 1HB SER 92 -23.676 5.150 7.584 715 HB3 SER 92 2HB SER 92 -23.277 6.021 6.104 716 HG SER 92 HG SER 92 -25.697 6.741 6.590 717 H SER 93 H SER 93 -24.741 3.077 7.897 718 HA SER 93 HA SER 93 -27.661 2.848 8.184 719 HB2 SER 93 1HB SER 93 -25.451 0.982 9.077 720 HB3 SER 93 2HB SER 93 -27.159 0.752 9.451 721 HG SER 93 HG SER 93 -26.267 -0.359 7.524 722 H GLY 94 H GLY 94 -28.622 3.647 9.943 723 HA2 GLY 94 1HA GLY 94 -27.219 5.227 11.808 724 HA3 GLY 94 2HA GLY 94 -28.898 4.725 11.950 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -2.460 -26.852 16.771 2 HA2 GLY 1 1HA GLY 1 -1.316 -24.700 18.119 3 HA3 GLY 1 2HA GLY 1 -1.830 -25.851 19.344 4 H SER 2 H SER 2 0.820 -25.198 19.090 5 HA SER 2 HA SER 2 1.974 -27.617 17.862 6 HB2 SER 2 1HB SER 2 2.596 -25.185 17.025 7 HB3 SER 2 2HB SER 2 3.661 -25.214 18.430 8 HG SER 2 HG SER 2 4.949 -26.213 17.091 9 H SER 3 H SER 3 3.830 -28.539 18.949 10 HA SER 3 HA SER 3 4.316 -27.756 21.699 11 HB2 SER 3 1HB SER 3 2.778 -30.197 20.939 12 HB3 SER 3 2HB SER 3 3.924 -30.326 22.273 13 HG SER 3 HG SER 3 2.218 -29.605 23.324 14 H GLY 4 H GLY 4 6.468 -27.621 21.623 15 HA2 GLY 4 1HA GLY 4 8.518 -28.894 21.893 16 HA3 GLY 4 2HA GLY 4 7.945 -29.974 20.631 17 H SER 5 H SER 5 10.141 -29.528 19.778 18 HA SER 5 HA SER 5 10.867 -26.973 18.822 19 HB2 SER 5 1HB SER 5 12.556 -28.182 17.482 20 HB3 SER 5 2HB SER 5 12.521 -28.749 19.150 21 HG SER 5 HG SER 5 11.589 -30.019 16.818 22 H SER 6 H SER 6 8.961 -26.197 17.793 23 HA SER 6 HA SER 6 7.620 -27.431 15.687 24 HB2 SER 6 1HB SER 6 6.741 -25.235 15.145 25 HB3 SER 6 2HB SER 6 6.828 -25.401 16.899 26 HG SER 6 HG SER 6 8.779 -24.207 16.834 27 H GLY 7 H GLY 7 7.591 -26.579 13.384 28 HA2 GLY 7 1HA GLY 7 10.341 -26.664 12.382 29 HA3 GLY 7 2HA GLY 7 8.889 -26.985 11.446 30 H ASP 8 H ASP 8 11.349 -24.919 11.665 31 HA ASP 8 HA ASP 8 9.909 -22.840 10.262 32 HB2 ASP 8 1HB ASP 8 9.799 -22.323 12.777 33 HB3 ASP 8 2HB ASP 8 11.528 -22.008 12.663 34 H ILE 9 H ILE 9 11.147 -21.936 8.724 35 HA ILE 9 HA ILE 9 13.996 -22.653 8.700 36 HB ILE 9 HB ILE 9 12.217 -21.798 6.414 37 HG12 ILE 9 1HG1 ILE 9 13.488 -24.500 6.788 38 HG13 ILE 9 2HG1 ILE 9 11.924 -24.126 7.503 39 HG21 ILE 9 1HG2 ILE 9 14.255 -21.123 5.649 40 HG22 ILE 9 2HG2 ILE 9 15.136 -22.279 6.647 41 HG23 ILE 9 3HG2 ILE 9 14.325 -22.822 5.179 42 HD11 ILE 9 1HD1 ILE 9 11.310 -25.100 5.526 43 HD12 ILE 9 2HD1 ILE 9 11.318 -23.395 5.076 44 HD13 ILE 9 3HD1 ILE 9 12.679 -24.429 4.641 45 H VAL 10 H VAL 10 15.541 -21.135 8.754 46 HA VAL 10 HA VAL 10 14.773 -18.328 8.331 47 HB VAL 10 HB VAL 10 16.508 -19.345 10.585 48 HG11 VAL 10 1HG1 VAL 10 15.876 -16.578 9.607 49 HG12 VAL 10 2HG1 VAL 10 16.363 -16.884 11.275 50 HG13 VAL 10 3HG1 VAL 10 17.449 -17.298 9.948 51 HG21 VAL 10 1HG2 VAL 10 14.664 -18.145 11.930 52 HG22 VAL 10 2HG2 VAL 10 13.703 -18.293 10.458 53 HG23 VAL 10 3HG2 VAL 10 14.315 -19.739 11.261 54 H ALA 11 H ALA 11 15.938 -17.527 6.723 55 HA ALA 11 HA ALA 11 18.803 -18.091 6.605 56 HB1 ALA 11 1HB ALA 11 18.706 -18.533 4.187 57 HB2 ALA 11 2HB ALA 11 17.833 -19.746 5.124 58 HB3 ALA 11 3HB ALA 11 16.945 -18.489 4.263 59 H ARG 12 H ARG 12 20.030 -16.471 5.650 60 HA ARG 12 HA ARG 12 18.555 -14.000 5.011 61 HB2 ARG 12 1HB ARG 12 21.257 -14.341 6.323 62 HB3 ARG 12 2HB ARG 12 20.600 -12.796 5.802 63 HG2 ARG 12 1HG ARG 12 18.634 -13.274 7.322 64 HG3 ARG 12 2HG ARG 12 19.595 -14.600 7.979 65 HD2 ARG 12 1HD ARG 12 21.351 -13.034 8.605 66 HD3 ARG 12 2HD ARG 12 20.431 -11.703 7.906 67 HE ARG 12 HE ARG 12 18.728 -12.765 9.728 68 HH11 ARG 12 1HH1 ARG 12 22.017 -11.631 9.874 69 HH12 ARG 12 2HH1 ARG 12 21.908 -11.128 11.528 70 HH21 ARG 12 1HH2 ARG 12 18.572 -12.107 11.908 71 HH22 ARG 12 2HH2 ARG 12 19.949 -11.400 12.684 72 H LEU 13 H LEU 13 19.043 -12.922 3.167 73 HA LEU 13 HA LEU 13 21.405 -13.665 1.632 74 HB2 LEU 13 1HB LEU 13 18.618 -13.841 0.496 75 HB3 LEU 13 2HB LEU 13 20.115 -14.056 -0.407 76 HG LEU 13 HG LEU 13 19.283 -15.854 1.864 77 HD11 LEU 13 1HD1 LEU 13 18.552 -17.441 0.162 78 HD12 LEU 13 2HD1 LEU 13 18.863 -16.246 -1.096 79 HD13 LEU 13 3HD1 LEU 13 17.600 -15.956 0.100 80 HD21 LEU 13 1HD2 LEU 13 21.218 -16.901 1.535 81 HD22 LEU 13 2HD2 LEU 13 21.703 -15.531 0.536 82 HD23 LEU 13 3HD2 LEU 13 20.972 -16.952 -0.211 83 H GLN 14 H GLN 14 21.344 -12.315 -0.529 84 HA GLN 14 HA GLN 14 20.651 -9.565 0.251 85 HB2 GLN 14 1HB GLN 14 22.889 -10.751 -1.320 86 HB3 GLN 14 2HB GLN 14 22.346 -9.133 -1.748 87 HG2 GLN 14 1HG GLN 14 24.255 -9.211 -0.153 88 HG3 GLN 14 2HG GLN 14 22.856 -8.298 0.412 89 HE21 GLN 14 1HE2 GLN 14 24.750 -11.186 0.805 90 HE22 GLN 14 2HE2 GLN 14 24.096 -11.651 2.335 91 H THR 15 H THR 15 18.445 -10.038 -0.496 92 HA THR 15 HA THR 15 18.183 -9.359 -3.320 93 HB THR 15 HB THR 15 16.365 -11.054 -3.622 94 HG1 THR 15 HG1 THR 15 16.663 -12.898 -2.053 95 HG21 THR 15 1HG2 THR 15 19.007 -11.316 -4.060 96 HG22 THR 15 2HG2 THR 15 17.829 -12.561 -4.476 97 HG23 THR 15 3HG2 THR 15 18.747 -12.681 -2.975 98 H GLN 16 H GLN 16 15.841 -8.860 -3.856 99 HA GLN 16 HA GLN 16 14.151 -8.117 -1.638 100 HB2 GLN 16 1HB GLN 16 15.494 -6.033 -3.356 101 HB3 GLN 16 2HB GLN 16 14.036 -5.708 -2.429 102 HG2 GLN 16 1HG GLN 16 15.459 -6.642 -0.441 103 HG3 GLN 16 2HG GLN 16 16.812 -6.211 -1.485 104 HE21 GLN 16 1HE2 GLN 16 14.836 -5.133 0.910 105 HE22 GLN 16 2HE2 GLN 16 15.033 -3.428 0.703 106 H ALA 17 H ALA 17 12.034 -7.458 -2.295 107 HA ALA 17 HA ALA 17 11.430 -8.072 -5.114 108 HB1 ALA 17 1HB ALA 17 9.132 -8.584 -3.568 109 HB2 ALA 17 2HB ALA 17 10.145 -9.744 -4.427 110 HB3 ALA 17 3HB ALA 17 10.487 -9.354 -2.742 111 H SER 18 H SER 18 9.267 -7.177 -5.805 112 HA SER 18 HA SER 18 8.473 -4.742 -4.416 113 HB2 SER 18 1HB SER 18 8.551 -3.605 -6.788 114 HB3 SER 18 2HB SER 18 10.002 -3.667 -5.788 115 HG SER 18 HG SER 18 9.372 -5.619 -7.743 116 H ALA 19 H ALA 19 6.333 -4.589 -4.402 117 HA ALA 19 HA ALA 19 4.814 -5.932 -6.543 118 HB1 ALA 19 1HB ALA 19 4.081 -5.713 -3.626 119 HB2 ALA 19 2HB ALA 19 3.071 -6.421 -4.887 120 HB3 ALA 19 3HB ALA 19 4.610 -7.172 -4.464 121 H THR 20 H THR 20 2.459 -5.087 -6.562 122 HA THR 20 HA THR 20 2.351 -2.207 -6.025 123 HB THR 20 HB THR 20 1.086 -2.160 -8.368 124 HG1 THR 20 HG1 THR 20 2.176 -3.529 -9.844 125 HG21 THR 20 1HG2 THR 20 3.552 -1.766 -9.334 126 HG22 THR 20 2HG2 THR 20 3.923 -1.759 -7.610 127 HG23 THR 20 3HG2 THR 20 2.752 -0.615 -8.264 128 H VAL 21 H VAL 21 0.213 -1.334 -5.940 129 HA VAL 21 HA VAL 21 -1.907 -3.363 -5.660 130 HB VAL 21 HB VAL 21 -1.316 -2.709 -3.434 131 HG11 VAL 21 1HG1 VAL 21 -0.255 -0.515 -4.284 132 HG12 VAL 21 2HG1 VAL 21 -1.860 0.175 -4.035 133 HG13 VAL 21 3HG1 VAL 21 -0.985 -0.536 -2.678 134 HG21 VAL 21 1HG2 VAL 21 -3.554 -1.018 -3.245 135 HG22 VAL 21 2HG2 VAL 21 -3.871 -2.115 -4.589 136 HG23 VAL 21 3HG2 VAL 21 -3.493 -2.763 -2.993 137 H ALA 22 H ALA 22 -3.278 -3.040 -7.286 138 HA ALA 22 HA ALA 22 -3.610 -0.549 -8.614 139 HB1 ALA 22 1HB ALA 22 -4.360 -3.241 -9.055 140 HB2 ALA 22 2HB ALA 22 -5.827 -2.263 -9.124 141 HB3 ALA 22 3HB ALA 22 -4.461 -1.878 -10.172 142 H ILE 23 H ILE 23 -4.610 1.148 -7.761 143 HA ILE 23 HA ILE 23 -7.239 0.795 -6.555 144 HB ILE 23 HB ILE 23 -6.518 2.497 -4.747 145 HG12 ILE 23 1HG1 ILE 23 -3.844 1.286 -5.484 146 HG13 ILE 23 2HG1 ILE 23 -4.298 2.979 -5.654 147 HG21 ILE 23 1HG2 ILE 23 -6.615 -0.321 -4.844 148 HG22 ILE 23 2HG2 ILE 23 -5.240 0.117 -3.831 149 HG23 ILE 23 3HG2 ILE 23 -6.848 0.730 -3.447 150 HD11 ILE 23 1HD1 ILE 23 -2.999 1.849 -3.516 151 HD12 ILE 23 2HD1 ILE 23 -3.804 3.418 -3.534 152 HD13 ILE 23 3HD1 ILE 23 -4.662 1.992 -2.950 153 HA PRO 24 HA PRO 24 -8.204 4.499 -8.705 154 HB2 PRO 24 1HB PRO 24 -10.100 5.576 -7.086 155 HB3 PRO 24 2HB PRO 24 -10.389 4.149 -8.088 156 HG2 PRO 24 1HG PRO 24 -9.732 4.314 -5.173 157 HG3 PRO 24 2HG PRO 24 -10.922 3.289 -5.994 158 HD2 PRO 24 1HD PRO 24 -8.498 2.368 -5.216 159 HD3 PRO 24 2HD PRO 24 -9.333 1.758 -6.659 160 H LYS 25 H LYS 25 -7.560 6.594 -8.836 161 HA LYS 25 HA LYS 25 -5.629 7.604 -7.104 162 HB2 LYS 25 1HB LYS 25 -7.396 8.981 -9.125 163 HB3 LYS 25 2HB LYS 25 -6.113 9.816 -8.258 164 HG2 LYS 25 1HG LYS 25 -4.653 7.830 -9.177 165 HG3 LYS 25 2HG LYS 25 -5.935 7.753 -10.388 166 HD2 LYS 25 1HD LYS 25 -4.772 10.414 -9.752 167 HD3 LYS 25 2HD LYS 25 -3.799 9.291 -10.704 168 HE2 LYS 25 1HE LYS 25 -6.516 10.409 -11.349 169 HE3 LYS 25 2HE LYS 25 -5.014 10.612 -12.249 170 HZ1 LYS 25 1HZ LYS 25 -5.849 8.958 -13.487 171 HZ2 LYS 25 2HZ LYS 25 -6.904 8.421 -12.279 172 HZ3 LYS 25 3HZ LYS 25 -5.279 7.952 -12.251 173 H GLU 26 H GLU 26 -8.970 7.441 -6.671 174 HA GLU 26 HA GLU 26 -9.254 9.795 -5.040 175 HB2 GLU 26 1HB GLU 26 -11.494 9.269 -4.898 176 HB3 GLU 26 2HB GLU 26 -11.064 8.494 -6.416 177 HG2 GLU 26 1HG GLU 26 -10.613 6.431 -4.846 178 HG3 GLU 26 2HG GLU 26 -11.738 7.285 -3.790 179 H HIS 27 H HIS 27 -8.359 6.489 -4.565 180 HA HIS 27 HA HIS 27 -8.760 6.610 -1.686 181 HB2 HIS 27 1HB HIS 27 -7.719 4.438 -3.510 182 HB3 HIS 27 2HB HIS 27 -7.811 4.275 -1.759 183 HD1 HIS 27 HD1 HIS 27 -9.388 2.271 -3.251 184 HD2 HIS 27 HD2 HIS 27 -10.940 6.008 -2.309 185 HE1 HIS 27 HE1 HIS 27 -11.887 1.999 -3.322 186 H HIS 28 H HIS 28 -6.299 7.213 -3.981 187 HA HIS 28 HA HIS 28 -3.977 6.598 -2.581 188 HB2 HIS 28 1HB HIS 28 -4.632 8.703 -4.623 189 HB3 HIS 28 2HB HIS 28 -3.027 8.621 -3.900 190 HD2 HIS 28 HD2 HIS 28 -4.391 5.121 -4.468 191 HE1 HIS 28 HE1 HIS 28 -1.998 6.050 -7.846 192 HE2 HIS 28 HE2 HIS 28 -3.295 4.255 -6.646 193 H ARG 29 H ARG 29 -6.111 9.383 -2.323 194 HA ARG 29 HA ARG 29 -4.471 11.006 -0.724 195 HB2 ARG 29 1HB ARG 29 -6.524 12.184 -0.116 196 HB3 ARG 29 2HB ARG 29 -6.490 11.836 -1.839 197 HG2 ARG 29 1HG ARG 29 -7.872 9.750 -1.214 198 HG3 ARG 29 2HG ARG 29 -8.178 10.607 0.298 199 HD2 ARG 29 1HD ARG 29 -8.956 12.555 -1.079 200 HD3 ARG 29 2HD ARG 29 -8.844 11.513 -2.496 201 HE ARG 29 HE ARG 29 -10.415 10.235 -0.559 202 HH11 ARG 29 1HH1 ARG 29 -10.515 12.990 -2.684 203 HH12 ARG 29 2HH1 ARG 29 -12.242 12.978 -2.832 204 HH21 ARG 29 1HH2 ARG 29 -12.688 10.208 -0.746 205 HH22 ARG 29 2HH2 ARG 29 -13.477 11.395 -1.728 206 H PHE 30 H PHE 30 -6.631 8.356 0.066 207 HA PHE 30 HA PHE 30 -6.577 8.774 2.887 208 HB2 PHE 30 1HB PHE 30 -7.437 6.492 1.127 209 HB3 PHE 30 2HB PHE 30 -7.405 6.326 2.879 210 HD1 PHE 30 HD1 PHE 30 -8.838 7.811 4.275 211 HD2 PHE 30 HD2 PHE 30 -9.172 7.651 0.035 212 HE1 PHE 30 HE1 PHE 30 -11.064 8.851 4.414 213 HE2 PHE 30 HE2 PHE 30 -11.398 8.690 0.167 214 HZ PHE 30 HZ PHE 30 -12.346 9.293 2.358 215 H VAL 31 H VAL 31 -4.281 7.661 0.721 216 HA VAL 31 HA VAL 31 -2.940 5.983 2.724 217 HB VAL 31 HB VAL 31 -2.126 6.338 -0.157 218 HG11 VAL 31 1HG1 VAL 31 -1.444 4.335 1.983 219 HG12 VAL 31 2HG1 VAL 31 -1.074 4.090 0.275 220 HG13 VAL 31 3HG1 VAL 31 -0.357 5.444 1.150 221 HG21 VAL 31 1HG2 VAL 31 -4.473 5.480 0.096 222 HG22 VAL 31 2HG2 VAL 31 -3.365 4.388 -0.735 223 HG23 VAL 31 3HG2 VAL 31 -3.799 4.090 0.948 224 H ILE 32 H ILE 32 -2.698 8.980 0.984 225 HA ILE 32 HA ILE 32 0.064 9.435 1.702 226 HB ILE 32 HB ILE 32 -1.937 11.378 0.544 227 HG12 ILE 32 1HG1 ILE 32 0.222 10.008 -1.024 228 HG13 ILE 32 2HG1 ILE 32 -1.312 9.189 -0.746 229 HG21 ILE 32 1HG2 ILE 32 0.304 12.396 -0.288 230 HG22 ILE 32 2HG2 ILE 32 -0.232 12.703 1.363 231 HG23 ILE 32 3HG2 ILE 32 1.006 11.485 1.050 232 HD11 ILE 32 1HD1 ILE 32 -0.833 11.763 -2.213 233 HD12 ILE 32 2HD1 ILE 32 -1.469 10.245 -2.847 234 HD13 ILE 32 3HD1 ILE 32 -2.436 11.210 -1.731 235 H GLY 33 H GLY 33 -3.122 10.452 2.809 236 HA2 GLY 33 1HA GLY 33 -3.430 10.917 5.164 237 HA3 GLY 33 2HA GLY 33 -1.819 11.618 5.185 238 H LYS 34 H LYS 34 -3.831 13.046 6.274 239 HA LYS 34 HA LYS 34 -5.424 14.701 4.846 240 HB2 LYS 34 1HB LYS 34 -5.065 14.728 7.336 241 HB3 LYS 34 2HB LYS 34 -3.620 15.693 7.059 242 HG2 LYS 34 1HG LYS 34 -5.147 17.328 7.515 243 HG3 LYS 34 2HG LYS 34 -5.277 17.246 5.756 244 HD2 LYS 34 1HD LYS 34 -7.495 17.195 6.364 245 HD3 LYS 34 2HD LYS 34 -7.131 15.470 6.283 246 HE2 LYS 34 1HE LYS 34 -6.794 15.415 8.694 247 HE3 LYS 34 2HE LYS 34 -7.093 17.149 8.789 248 HZ1 LYS 34 1HZ LYS 34 -9.053 15.885 9.402 249 HZ2 LYS 34 2HZ LYS 34 -9.053 15.101 7.903 250 HZ3 LYS 34 3HZ LYS 34 -9.343 16.766 7.987 251 H ASN 35 H ASN 35 -2.082 15.637 5.694 252 HA ASN 35 HA ASN 35 -2.044 17.320 3.281 253 HB2 ASN 35 1HB ASN 35 -0.539 17.522 5.889 254 HB3 ASN 35 2HB ASN 35 -0.098 18.458 4.463 255 HD21 ASN 35 1HD2 ASN 35 -1.784 18.537 7.266 256 HD22 ASN 35 2HD2 ASN 35 -2.916 19.788 6.893 257 H GLY 36 H GLY 36 -0.430 14.740 4.984 258 HA2 GLY 36 1HA GLY 36 0.683 13.357 3.022 259 HA3 GLY 36 2HA GLY 36 1.788 14.721 3.084 260 H GLU 37 H GLU 37 0.160 12.924 5.685 261 HA GLU 37 HA GLU 37 2.820 12.395 6.833 262 HB2 GLU 37 1HB GLU 37 0.250 12.326 8.392 263 HB3 GLU 37 2HB GLU 37 1.891 12.515 8.990 264 HG2 GLU 37 1HG GLU 37 0.779 14.599 7.184 265 HG3 GLU 37 2HG GLU 37 0.245 14.548 8.864 266 H LYS 38 H LYS 38 -0.420 11.008 6.407 267 HA LYS 38 HA LYS 38 -0.183 8.533 7.469 268 HB2 LYS 38 1HB LYS 38 -2.074 9.599 6.015 269 HB3 LYS 38 2HB LYS 38 -1.277 8.769 4.685 270 HG2 LYS 38 1HG LYS 38 -2.578 7.574 7.111 271 HG3 LYS 38 2HG LYS 38 -2.987 7.332 5.411 272 HD2 LYS 38 1HD LYS 38 -0.900 6.146 5.050 273 HD3 LYS 38 2HD LYS 38 -0.413 6.450 6.720 274 HE2 LYS 38 1HE LYS 38 -1.249 4.204 6.552 275 HE3 LYS 38 2HE LYS 38 -2.397 5.170 7.477 276 HZ1 LYS 38 1HZ LYS 38 -3.952 4.518 6.062 277 HZ2 LYS 38 2HZ LYS 38 -2.820 3.725 5.087 278 HZ3 LYS 38 3HZ LYS 38 -3.164 5.360 4.823 279 H LEU 39 H LEU 39 0.591 9.115 4.033 280 HA LEU 39 HA LEU 39 1.792 6.720 3.461 281 HB2 LEU 39 1HB LEU 39 1.517 8.045 1.614 282 HB3 LEU 39 2HB LEU 39 2.127 9.487 2.426 283 HG LEU 39 HG LEU 39 4.427 8.394 2.285 284 HD11 LEU 39 1HD1 LEU 39 4.772 6.504 1.110 285 HD12 LEU 39 2HD1 LEU 39 3.496 6.863 -0.052 286 HD13 LEU 39 3HD1 LEU 39 3.089 6.185 1.524 287 HD21 LEU 39 1HD2 LEU 39 2.969 9.227 -0.220 288 HD22 LEU 39 2HD2 LEU 39 4.722 9.114 -0.061 289 HD23 LEU 39 3HD2 LEU 39 3.822 10.281 0.908 290 H GLN 40 H GLN 40 3.326 9.606 4.840 291 HA GLN 40 HA GLN 40 5.955 8.747 4.891 292 HB2 GLN 40 1HB GLN 40 4.678 10.340 7.109 293 HB3 GLN 40 2HB GLN 40 6.351 10.394 6.567 294 HG2 GLN 40 1HG GLN 40 3.926 11.403 5.106 295 HG3 GLN 40 2HG GLN 40 5.241 12.355 5.794 296 HE21 GLN 40 1HE2 GLN 40 7.414 10.879 4.946 297 HE22 GLN 40 2HE2 GLN 40 7.528 10.974 3.225 298 H ASP 41 H ASP 41 3.501 8.365 7.443 299 HA ASP 41 HA ASP 41 5.069 6.930 9.246 300 HB2 ASP 41 1HB ASP 41 2.713 7.935 9.555 301 HB3 ASP 41 2HB ASP 41 2.125 6.414 8.889 302 H LEU 42 H LEU 42 2.913 5.736 6.685 303 HA LEU 42 HA LEU 42 3.178 3.015 7.118 304 HB2 LEU 42 1HB LEU 42 2.581 4.712 4.760 305 HB3 LEU 42 2HB LEU 42 2.986 3.023 4.462 306 HG LEU 42 HG LEU 42 0.754 3.937 6.272 307 HD11 LEU 42 1HD1 LEU 42 0.791 3.223 3.360 308 HD12 LEU 42 2HD1 LEU 42 0.058 4.618 4.151 309 HD13 LEU 42 3HD1 LEU 42 -0.658 3.019 4.347 310 HD21 LEU 42 1HD2 LEU 42 0.391 1.331 5.246 311 HD22 LEU 42 2HD2 LEU 42 0.684 1.816 6.917 312 HD23 LEU 42 3HD2 LEU 42 2.042 1.424 5.860 313 H GLU 43 H GLU 43 5.119 5.039 4.914 314 HA GLU 43 HA GLU 43 6.870 3.154 3.964 315 HB2 GLU 43 1HB GLU 43 7.181 6.073 4.568 316 HB3 GLU 43 2HB GLU 43 8.567 5.144 4.016 317 HG2 GLU 43 1HG GLU 43 7.447 4.574 1.976 318 HG3 GLU 43 2HG GLU 43 5.953 5.318 2.540 319 H LEU 44 H LEU 44 6.924 4.792 7.078 320 HA LEU 44 HA LEU 44 9.462 3.674 7.849 321 HB2 LEU 44 1HB LEU 44 7.356 5.288 9.237 322 HB3 LEU 44 2HB LEU 44 8.672 4.550 10.149 323 HG LEU 44 HG LEU 44 9.307 6.304 7.816 324 HD11 LEU 44 1HD1 LEU 44 7.715 7.185 9.945 325 HD12 LEU 44 2HD1 LEU 44 8.555 8.170 8.748 326 HD13 LEU 44 3HD1 LEU 44 9.342 7.780 10.277 327 HD21 LEU 44 1HD2 LEU 44 10.917 4.870 9.313 328 HD22 LEU 44 2HD2 LEU 44 10.750 6.229 10.423 329 HD23 LEU 44 3HD2 LEU 44 11.373 6.493 8.793 330 H LYS 45 H LYS 45 6.240 3.367 9.351 331 HA LYS 45 HA LYS 45 6.631 1.279 11.011 332 HB2 LYS 45 1HB LYS 45 4.459 2.548 10.466 333 HB3 LYS 45 2HB LYS 45 4.204 1.320 9.231 334 HG2 LYS 45 1HG LYS 45 3.915 -0.371 10.787 335 HG3 LYS 45 2HG LYS 45 4.740 0.528 12.063 336 HD2 LYS 45 1HD LYS 45 2.450 0.601 12.619 337 HD3 LYS 45 2HD LYS 45 2.819 2.185 11.934 338 HE2 LYS 45 1HE LYS 45 1.783 1.639 9.878 339 HE3 LYS 45 2HE LYS 45 1.700 -0.073 10.292 340 HZ1 LYS 45 1HZ LYS 45 0.170 0.584 12.130 341 HZ2 LYS 45 2HZ LYS 45 -0.453 0.835 10.578 342 HZ3 LYS 45 3HZ LYS 45 0.128 2.144 11.478 343 H THR 46 H THR 46 6.308 1.091 7.516 344 HA THR 46 HA THR 46 6.647 -1.822 7.623 345 HB THR 46 HB THR 46 5.916 -1.916 5.354 346 HG1 THR 46 HG1 THR 46 6.225 0.913 5.395 347 HG21 THR 46 1HG2 THR 46 3.731 -0.653 5.457 348 HG22 THR 46 2HG2 THR 46 4.295 0.036 6.980 349 HG23 THR 46 3HG2 THR 46 4.063 -1.705 6.831 350 H ALA 47 H ALA 47 8.355 1.065 7.004 351 HA ALA 47 HA ALA 47 10.475 1.513 6.308 352 HB1 ALA 47 1HB ALA 47 11.916 0.241 7.416 353 HB2 ALA 47 2HB ALA 47 10.598 -0.878 7.764 354 HB3 ALA 47 3HB ALA 47 11.611 -1.123 6.340 355 H THR 48 H THR 48 8.502 0.864 4.322 356 HA THR 48 HA THR 48 10.166 -0.402 2.245 357 HB THR 48 HB THR 48 8.071 -0.781 0.993 358 HG1 THR 48 HG1 THR 48 6.759 0.841 1.839 359 HG21 THR 48 1HG2 THR 48 7.153 -2.540 2.455 360 HG22 THR 48 2HG2 THR 48 8.063 -1.871 3.810 361 HG23 THR 48 3HG2 THR 48 8.915 -2.556 2.428 362 H LYS 49 H LYS 49 9.703 0.458 -0.004 363 HA LYS 49 HA LYS 49 9.740 3.390 0.109 364 HB2 LYS 49 1HB LYS 49 10.982 1.355 -1.681 365 HB3 LYS 49 2HB LYS 49 10.581 2.922 -2.372 366 HG2 LYS 49 1HG LYS 49 12.871 2.919 -1.640 367 HG3 LYS 49 2HG LYS 49 11.929 4.014 -0.625 368 HD2 LYS 49 1HD LYS 49 13.205 2.857 0.928 369 HD3 LYS 49 2HD LYS 49 11.686 1.957 0.936 370 HE2 LYS 49 1HE LYS 49 13.310 0.291 0.830 371 HE3 LYS 49 2HE LYS 49 12.797 0.475 -0.847 372 HZ1 LYS 49 1HZ LYS 49 14.788 2.209 -0.791 373 HZ2 LYS 49 2HZ LYS 49 15.015 0.574 -1.162 374 HZ3 LYS 49 3HZ LYS 49 15.344 1.140 0.398 375 H ILE 50 H ILE 50 7.523 3.791 0.121 376 HA ILE 50 HA ILE 50 5.826 2.678 -1.935 377 HB ILE 50 HB ILE 50 5.230 4.844 0.085 378 HG12 ILE 50 1HG1 ILE 50 4.482 1.915 0.154 379 HG13 ILE 50 2HG1 ILE 50 5.836 2.605 1.042 380 HG21 ILE 50 1HG2 ILE 50 3.233 3.160 -1.394 381 HG22 ILE 50 2HG2 ILE 50 2.963 4.645 -0.482 382 HG23 ILE 50 3HG2 ILE 50 3.809 4.701 -2.028 383 HD11 ILE 50 1HD1 ILE 50 3.920 4.216 1.926 384 HD12 ILE 50 2HD1 ILE 50 2.933 2.805 1.547 385 HD13 ILE 50 3HD1 ILE 50 4.279 2.661 2.677 386 H GLN 51 H GLN 51 5.377 3.552 -3.853 387 HA GLN 51 HA GLN 51 6.110 6.369 -4.310 388 HB2 GLN 51 1HB GLN 51 7.522 4.409 -5.390 389 HB3 GLN 51 2HB GLN 51 6.202 4.400 -6.552 390 HG2 GLN 51 1HG GLN 51 6.602 6.745 -7.051 391 HG3 GLN 51 2HG GLN 51 7.898 6.787 -5.858 392 HE21 GLN 51 1HE2 GLN 51 9.751 5.403 -6.238 393 HE22 GLN 51 2HE2 GLN 51 10.227 5.058 -7.863 394 H ILE 52 H ILE 52 4.298 7.493 -4.553 395 HA ILE 52 HA ILE 52 1.981 6.229 -5.829 396 HB ILE 52 HB ILE 52 2.195 8.779 -4.225 397 HG12 ILE 52 1HG1 ILE 52 0.674 6.256 -3.563 398 HG13 ILE 52 2HG1 ILE 52 2.335 6.523 -3.046 399 HG21 ILE 52 1HG2 ILE 52 -0.487 7.811 -4.668 400 HG22 ILE 52 2HG2 ILE 52 0.192 9.412 -4.952 401 HG23 ILE 52 3HG2 ILE 52 0.323 8.166 -6.193 402 HD11 ILE 52 1HD1 ILE 52 1.093 7.175 -1.212 403 HD12 ILE 52 2HD1 ILE 52 1.423 8.706 -2.025 404 HD13 ILE 52 3HD1 ILE 52 -0.154 7.937 -2.200 405 HA PRO 53 HA PRO 53 2.826 8.467 -9.559 406 HB2 PRO 53 1HB PRO 53 0.477 7.914 -10.805 407 HB3 PRO 53 2HB PRO 53 1.781 6.731 -10.644 408 HG2 PRO 53 1HG PRO 53 -0.710 7.040 -9.012 409 HG3 PRO 53 2HG PRO 53 0.042 5.561 -9.635 410 HD2 PRO 53 1HD PRO 53 0.332 6.375 -7.069 411 HD3 PRO 53 2HD PRO 53 1.603 5.492 -7.940 412 H ARG 54 H ARG 54 2.366 10.460 -10.395 413 HA ARG 54 HA ARG 54 1.117 12.383 -8.852 414 HB2 ARG 54 1HB ARG 54 1.964 12.236 -11.707 415 HB3 ARG 54 2HB ARG 54 0.938 13.579 -11.218 416 HG2 ARG 54 1HG ARG 54 2.548 14.320 -9.619 417 HG3 ARG 54 2HG ARG 54 3.528 12.873 -9.864 418 HD2 ARG 54 1HD ARG 54 4.665 14.366 -11.175 419 HD3 ARG 54 2HD ARG 54 3.539 13.700 -12.357 420 HE ARG 54 HE ARG 54 2.229 15.854 -11.328 421 HH11 ARG 54 1HH1 ARG 54 5.334 15.363 -12.824 422 HH12 ARG 54 2HH1 ARG 54 5.403 16.954 -13.505 423 HH21 ARG 54 1HH2 ARG 54 2.309 17.953 -12.218 424 HH22 ARG 54 2HH2 ARG 54 3.683 18.427 -13.159 425 HA PRO 55 HA PRO 55 -3.209 12.133 -9.536 426 HB2 PRO 55 1HB PRO 55 -3.927 14.746 -9.711 427 HB3 PRO 55 2HB PRO 55 -3.433 13.984 -8.194 428 HG2 PRO 55 1HG PRO 55 -1.838 15.694 -10.062 429 HG3 PRO 55 2HG PRO 55 -1.899 15.729 -8.291 430 HD2 PRO 55 1HD PRO 55 0.111 14.533 -9.657 431 HD3 PRO 55 2HD PRO 55 -0.456 13.943 -8.081 432 H ASP 56 H ASP 56 -1.265 13.851 -11.854 433 HA ASP 56 HA ASP 56 -3.416 13.951 -13.814 434 HB2 ASP 56 1HB ASP 56 -1.605 14.982 -15.265 435 HB3 ASP 56 2HB ASP 56 -2.040 15.889 -13.818 436 H ASP 57 H ASP 57 -0.552 12.106 -13.072 437 HA ASP 57 HA ASP 57 -0.187 10.833 -15.552 438 HB2 ASP 57 1HB ASP 57 1.255 10.852 -13.327 439 HB3 ASP 57 2HB ASP 57 0.379 9.356 -13.020 440 HA PRO 58 HA PRO 58 -3.650 8.122 -15.784 441 HB2 PRO 58 1HB PRO 58 -2.634 6.306 -17.528 442 HB3 PRO 58 2HB PRO 58 -3.148 7.924 -18.017 443 HG2 PRO 58 1HG PRO 58 -0.392 6.905 -17.443 444 HG3 PRO 58 2HG PRO 58 -0.945 7.958 -18.759 445 HD2 PRO 58 1HD PRO 58 0.297 8.915 -16.552 446 HD3 PRO 58 2HD PRO 58 -0.942 9.838 -17.426 447 H SER 59 H SER 59 -0.873 7.453 -14.151 448 HA SER 59 HA SER 59 -1.396 4.619 -13.718 449 HB2 SER 59 1HB SER 59 0.823 6.496 -13.001 450 HB3 SER 59 2HB SER 59 0.619 5.016 -12.063 451 HG SER 59 HG SER 59 1.860 4.325 -13.668 452 H ASN 60 H ASN 60 -2.442 3.811 -12.009 453 HA ASN 60 HA ASN 60 -2.985 5.594 -9.731 454 HB2 ASN 60 1HB ASN 60 -5.245 4.704 -9.569 455 HB3 ASN 60 2HB ASN 60 -4.989 5.387 -11.172 456 HD21 ASN 60 1HD2 ASN 60 -6.457 2.972 -9.684 457 HD22 ASN 60 2HD2 ASN 60 -6.360 1.733 -10.885 458 H GLN 61 H GLN 61 -1.383 2.952 -10.636 459 HA GLN 61 HA GLN 61 -2.076 1.302 -8.326 460 HB2 GLN 61 1HB GLN 61 -0.651 -0.399 -9.335 461 HB3 GLN 61 2HB GLN 61 -1.831 0.186 -10.500 462 HG2 GLN 61 1HG GLN 61 0.156 1.820 -11.127 463 HG3 GLN 61 2HG GLN 61 1.113 0.503 -10.452 464 HE21 GLN 61 1HE2 GLN 61 -0.088 -1.719 -11.224 465 HE22 GLN 61 2HE2 GLN 61 -0.175 -1.836 -12.945 466 H ILE 62 H ILE 62 -0.976 1.444 -6.494 467 HA ILE 62 HA ILE 62 1.374 3.089 -6.309 468 HB ILE 62 HB ILE 62 -0.204 1.507 -4.298 469 HG12 ILE 62 1HG1 ILE 62 0.440 4.456 -4.401 470 HG13 ILE 62 2HG1 ILE 62 -0.979 3.757 -5.172 471 HG21 ILE 62 1HG2 ILE 62 2.056 1.241 -3.577 472 HG22 ILE 62 2HG2 ILE 62 2.408 2.943 -3.873 473 HG23 ILE 62 3HG2 ILE 62 1.314 2.484 -2.568 474 HD11 ILE 62 1HD1 ILE 62 -1.870 4.427 -3.187 475 HD12 ILE 62 2HD1 ILE 62 -1.390 2.782 -2.767 476 HD13 ILE 62 3HD1 ILE 62 -0.377 4.146 -2.293 477 H LYS 63 H LYS 63 3.445 2.451 -5.666 478 HA LYS 63 HA LYS 63 4.047 -0.390 -6.155 479 HB2 LYS 63 1HB LYS 63 5.018 1.185 -7.796 480 HB3 LYS 63 2HB LYS 63 5.861 2.006 -6.489 481 HG2 LYS 63 1HG LYS 63 6.809 -0.407 -6.034 482 HG3 LYS 63 2HG LYS 63 6.403 -0.634 -7.737 483 HD2 LYS 63 1HD LYS 63 7.705 1.469 -8.213 484 HD3 LYS 63 2HD LYS 63 8.259 1.415 -6.537 485 HE2 LYS 63 1HE LYS 63 9.970 0.334 -7.653 486 HE3 LYS 63 2HE LYS 63 8.966 -1.013 -7.121 487 HZ1 LYS 63 1HZ LYS 63 9.331 0.077 -9.823 488 HZ2 LYS 63 2HZ LYS 63 7.866 -0.674 -9.436 489 HZ3 LYS 63 3HZ LYS 63 9.316 -1.534 -9.308 490 H ILE 64 H ILE 64 5.091 -1.549 -4.638 491 HA ILE 64 HA ILE 64 6.170 -0.115 -2.303 492 HB ILE 64 HB ILE 64 5.395 -2.394 -1.130 493 HG12 ILE 64 1HG1 ILE 64 3.214 -1.853 -3.154 494 HG13 ILE 64 2HG1 ILE 64 4.354 -3.189 -3.268 495 HG21 ILE 64 1HG2 ILE 64 3.291 -0.310 -1.451 496 HG22 ILE 64 2HG2 ILE 64 3.864 -1.118 0.007 497 HG23 ILE 64 3HG2 ILE 64 4.842 0.141 -0.744 498 HD11 ILE 64 1HD1 ILE 64 1.897 -3.076 -1.876 499 HD12 ILE 64 2HD1 ILE 64 3.035 -4.419 -1.997 500 HD13 ILE 64 3HD1 ILE 64 3.188 -3.249 -0.687 501 H THR 65 H THR 65 8.271 -0.491 -2.152 502 HA THR 65 HA THR 65 9.292 -3.139 -2.953 503 HB THR 65 HB THR 65 10.955 -0.626 -2.920 504 HG1 THR 65 HG1 THR 65 9.581 -1.745 -5.156 505 HG21 THR 65 1HG2 THR 65 11.490 -3.379 -3.359 506 HG22 THR 65 2HG2 THR 65 12.603 -2.015 -3.474 507 HG23 THR 65 3HG2 THR 65 11.697 -2.537 -4.894 508 H GLY 66 H GLY 66 10.752 -4.177 -1.625 509 HA2 GLY 66 1HA GLY 66 12.334 -3.366 0.372 510 HA3 GLY 66 2HA GLY 66 10.755 -3.279 1.141 511 H THR 67 H THR 67 11.351 -4.879 2.643 512 HA THR 67 HA THR 67 12.177 -7.488 1.765 513 HB THR 67 HB THR 67 11.977 -8.143 4.121 514 HG1 THR 67 HG1 THR 67 11.429 -6.258 5.569 515 HG21 THR 67 1HG2 THR 67 13.436 -5.661 3.349 516 HG22 THR 67 2HG2 THR 67 14.067 -7.241 3.812 517 HG23 THR 67 3HG2 THR 67 13.438 -6.147 5.043 518 H LYS 68 H LYS 68 10.988 -9.376 1.732 519 HA LYS 68 HA LYS 68 8.438 -9.400 0.794 520 HB2 LYS 68 1HB LYS 68 10.063 -11.349 1.005 521 HB3 LYS 68 2HB LYS 68 9.461 -11.551 2.645 522 HG2 LYS 68 1HG LYS 68 8.137 -13.037 1.537 523 HG3 LYS 68 2HG LYS 68 7.128 -11.593 1.437 524 HD2 LYS 68 1HD LYS 68 7.126 -12.488 -0.737 525 HD3 LYS 68 2HD LYS 68 8.272 -11.148 -0.798 526 HE2 LYS 68 1HE LYS 68 9.479 -12.781 -1.863 527 HE3 LYS 68 2HE LYS 68 10.007 -13.027 -0.199 528 HZ1 LYS 68 1HZ LYS 68 7.735 -14.526 -1.356 529 HZ2 LYS 68 2HZ LYS 68 8.636 -14.891 0.028 530 HZ3 LYS 68 3HZ LYS 68 9.329 -15.070 -1.504 531 H GLU 69 H GLU 69 9.430 -8.873 4.056 532 HA GLU 69 HA GLU 69 6.766 -9.335 5.131 533 HB2 GLU 69 1HB GLU 69 9.341 -8.436 6.434 534 HB3 GLU 69 2HB GLU 69 7.826 -8.657 7.297 535 HG2 GLU 69 1HG GLU 69 9.175 -10.843 5.739 536 HG3 GLU 69 2HG GLU 69 9.450 -10.555 7.457 537 H GLY 70 H GLY 70 9.029 -6.635 4.681 538 HA2 GLY 70 1HA GLY 70 7.431 -4.621 5.800 539 HA3 GLY 70 2HA GLY 70 8.685 -4.367 4.595 540 H ILE 71 H ILE 71 7.772 -5.554 2.377 541 HA ILE 71 HA ILE 71 5.954 -3.733 1.322 542 HB ILE 71 HB ILE 71 6.557 -6.520 0.325 543 HG12 ILE 71 1HG1 ILE 71 7.757 -3.870 -0.503 544 HG13 ILE 71 2HG1 ILE 71 8.531 -5.009 0.594 545 HG21 ILE 71 1HG2 ILE 71 5.977 -5.062 -1.878 546 HG22 ILE 71 2HG2 ILE 71 4.814 -6.075 -1.025 547 HG23 ILE 71 3HG2 ILE 71 4.874 -4.342 -0.705 548 HD11 ILE 71 1HD1 ILE 71 9.460 -5.960 -1.171 549 HD12 ILE 71 2HD1 ILE 71 7.855 -6.488 -1.678 550 HD13 ILE 71 3HD1 ILE 71 8.509 -4.961 -2.270 551 H GLU 72 H GLU 72 5.395 -7.081 2.390 552 HA GLU 72 HA GLU 72 2.724 -7.332 1.763 553 HB2 GLU 72 1HB GLU 72 4.384 -8.460 3.995 554 HB3 GLU 72 2HB GLU 72 2.666 -8.818 3.891 555 HG2 GLU 72 1HG GLU 72 4.662 -9.360 1.707 556 HG3 GLU 72 2HG GLU 72 4.100 -10.551 2.879 557 H LYS 73 H LYS 73 4.093 -6.123 4.821 558 HA LYS 73 HA LYS 73 1.798 -5.572 6.210 559 HB2 LYS 73 1HB LYS 73 4.479 -4.245 6.118 560 HB3 LYS 73 2HB LYS 73 3.195 -3.520 7.076 561 HG2 LYS 73 1HG LYS 73 3.025 -5.440 8.459 562 HG3 LYS 73 2HG LYS 73 4.062 -6.383 7.384 563 HD2 LYS 73 1HD LYS 73 5.456 -5.779 9.170 564 HD3 LYS 73 2HD LYS 73 5.864 -4.638 7.886 565 HE2 LYS 73 1HE LYS 73 5.687 -3.338 9.838 566 HE3 LYS 73 2HE LYS 73 4.183 -3.064 8.958 567 HZ1 LYS 73 1HZ LYS 73 3.506 -3.424 11.131 568 HZ2 LYS 73 2HZ LYS 73 4.625 -4.664 11.399 569 HZ3 LYS 73 3HZ LYS 73 3.276 -4.940 10.416 570 H ALA 74 H ALA 74 3.511 -3.232 4.127 571 HA ALA 74 HA ALA 74 1.526 -1.248 4.236 572 HB1 ALA 74 1HB ALA 74 3.948 -1.754 2.665 573 HB2 ALA 74 2HB ALA 74 2.729 -0.778 1.844 574 HB3 ALA 74 3HB ALA 74 3.363 -0.265 3.408 575 H ARG 75 H ARG 75 1.949 -4.030 2.138 576 HA ARG 75 HA ARG 75 0.026 -3.295 0.191 577 HB2 ARG 75 1HB ARG 75 1.888 -5.181 0.226 578 HB3 ARG 75 2HB ARG 75 0.552 -6.165 0.810 579 HG2 ARG 75 1HG ARG 75 -0.745 -5.565 -1.185 580 HG3 ARG 75 2HG ARG 75 0.625 -4.621 -1.775 581 HD2 ARG 75 1HD ARG 75 0.861 -6.650 -2.883 582 HD3 ARG 75 2HD ARG 75 1.960 -6.810 -1.514 583 HE ARG 75 HE ARG 75 -0.639 -7.826 -0.925 584 HH11 ARG 75 1HH1 ARG 75 2.365 -8.566 -2.523 585 HH12 ARG 75 2HH1 ARG 75 2.180 -10.281 -2.362 586 HH21 ARG 75 1HH2 ARG 75 -0.894 -10.083 -0.707 587 HH22 ARG 75 2HH2 ARG 75 0.325 -11.142 -1.330 588 H HIS 76 H HIS 76 -0.165 -4.952 3.272 589 HA HIS 76 HA HIS 76 -2.869 -5.839 2.916 590 HB2 HIS 76 1HB HIS 76 -1.186 -6.934 4.436 591 HB3 HIS 76 2HB HIS 76 -1.350 -5.549 5.513 592 HD1 HIS 76 HD1 HIS 76 -3.955 -7.728 3.781 593 HD2 HIS 76 HD2 HIS 76 -2.918 -6.341 7.558 594 HE1 HIS 76 HE1 HIS 76 -5.726 -8.612 5.331 595 H GLU 77 H GLU 77 -1.287 -3.074 4.410 596 HA GLU 77 HA GLU 77 -3.646 -2.044 5.642 597 HB2 GLU 77 1HB GLU 77 -1.006 -0.738 4.972 598 HB3 GLU 77 2HB GLU 77 -2.283 0.040 5.897 599 HG2 GLU 77 1HG GLU 77 -1.094 -2.578 6.742 600 HG3 GLU 77 2HG GLU 77 -0.367 -1.034 7.184 601 H VAL 78 H VAL 78 -1.828 -1.156 2.716 602 HA VAL 78 HA VAL 78 -3.454 0.942 1.867 603 HB VAL 78 HB VAL 78 -1.206 0.231 0.907 604 HG11 VAL 78 1HG1 VAL 78 -2.158 -2.142 0.473 605 HG12 VAL 78 2HG1 VAL 78 -2.783 -1.431 -1.016 606 HG13 VAL 78 3HG1 VAL 78 -1.047 -1.430 -0.697 607 HG21 VAL 78 1HG2 VAL 78 -3.002 0.665 -1.398 608 HG22 VAL 78 2HG2 VAL 78 -3.125 1.829 -0.079 609 HG23 VAL 78 3HG2 VAL 78 -1.577 1.568 -0.883 610 H LEU 79 H LEU 79 -3.824 -2.528 1.490 611 HA LEU 79 HA LEU 79 -5.967 -2.370 -0.396 612 HB2 LEU 79 1HB LEU 79 -4.781 -4.540 1.286 613 HB3 LEU 79 2HB LEU 79 -6.307 -4.807 0.444 614 HG LEU 79 HG LEU 79 -3.973 -3.828 -1.126 615 HD11 LEU 79 1HD1 LEU 79 -2.743 -5.678 -0.966 616 HD12 LEU 79 2HD1 LEU 79 -4.158 -6.729 -1.030 617 HD13 LEU 79 3HD1 LEU 79 -3.655 -6.020 0.504 618 HD21 LEU 79 1HD2 LEU 79 -5.515 -4.140 -2.701 619 HD22 LEU 79 2HD2 LEU 79 -6.584 -4.992 -1.586 620 HD23 LEU 79 3HD2 LEU 79 -5.314 -5.872 -2.437 621 H LEU 80 H LEU 80 -5.779 -2.982 3.099 622 HA LEU 80 HA LEU 80 -8.484 -3.387 3.596 623 HB2 LEU 80 1HB LEU 80 -6.164 -2.466 5.199 624 HB3 LEU 80 2HB LEU 80 -7.772 -2.207 5.874 625 HG LEU 80 HG LEU 80 -6.554 -4.860 5.108 626 HD11 LEU 80 1HD1 LEU 80 -6.580 -3.288 7.544 627 HD12 LEU 80 2HD1 LEU 80 -5.653 -4.734 7.138 628 HD13 LEU 80 3HD1 LEU 80 -7.292 -4.886 7.772 629 HD21 LEU 80 1HD2 LEU 80 -9.315 -4.048 5.887 630 HD22 LEU 80 2HD2 LEU 80 -8.690 -5.604 6.435 631 HD23 LEU 80 3HD2 LEU 80 -8.780 -5.248 4.709 632 H ILE 81 H ILE 81 -6.637 -0.349 3.666 633 HA ILE 81 HA ILE 81 -8.729 1.349 4.393 634 HB ILE 81 HB ILE 81 -6.404 2.022 2.588 635 HG12 ILE 81 1HG1 ILE 81 -6.460 2.594 5.524 636 HG13 ILE 81 2HG1 ILE 81 -6.045 0.971 4.982 637 HG21 ILE 81 1HG2 ILE 81 -6.823 4.258 2.975 638 HG22 ILE 81 2HG2 ILE 81 -8.454 3.600 2.855 639 HG23 ILE 81 3HG2 ILE 81 -7.755 3.938 4.438 640 HD11 ILE 81 1HD1 ILE 81 -4.229 1.909 3.629 641 HD12 ILE 81 2HD1 ILE 81 -4.631 3.517 4.231 642 HD13 ILE 81 3HD1 ILE 81 -4.051 2.278 5.344 643 H SER 82 H SER 82 -7.462 0.722 1.116 644 HA SER 82 HA SER 82 -9.355 2.181 -0.297 645 HB2 SER 82 1HB SER 82 -8.781 0.696 -2.224 646 HB3 SER 82 2HB SER 82 -7.366 1.337 -1.390 647 HG SER 82 HG SER 82 -7.577 -0.774 -0.152 648 H ALA 83 H ALA 83 -9.413 -1.259 0.598 649 HA ALA 83 HA ALA 83 -11.730 -2.073 -0.621 650 HB1 ALA 83 1HB ALA 83 -10.174 -2.937 1.687 651 HB2 ALA 83 2HB ALA 83 -11.884 -3.353 1.802 652 HB3 ALA 83 3HB ALA 83 -10.938 -3.887 0.413 653 H GLU 84 H GLU 84 -11.470 -0.618 2.624 654 HA GLU 84 HA GLU 84 -14.197 -0.586 3.217 655 HB2 GLU 84 1HB GLU 84 -11.839 0.993 4.161 656 HB3 GLU 84 2HB GLU 84 -13.452 1.498 4.644 657 HG2 GLU 84 1HG GLU 84 -12.717 -1.354 5.005 658 HG3 GLU 84 2HG GLU 84 -12.011 -0.164 6.098 659 H GLN 85 H GLN 85 -12.194 1.743 1.483 660 HA GLN 85 HA GLN 85 -14.040 3.833 1.297 661 HB2 GLN 85 1HB GLN 85 -11.864 2.998 -0.627 662 HB3 GLN 85 2HB GLN 85 -12.738 4.521 -0.720 663 HG2 GLN 85 1HG GLN 85 -10.919 3.599 1.489 664 HG3 GLN 85 2HG GLN 85 -10.632 4.903 0.337 665 HE21 GLN 85 1HE2 GLN 85 -10.709 4.918 3.272 666 HE22 GLN 85 2HE2 GLN 85 -11.891 6.101 3.703 667 H ASP 86 H ASP 86 -13.800 0.829 -0.441 668 HA ASP 86 HA ASP 86 -15.768 1.661 -2.421 669 HB2 ASP 86 1HB ASP 86 -13.954 0.316 -3.259 670 HB3 ASP 86 2HB ASP 86 -14.239 -0.917 -2.035 671 H LYS 87 H LYS 87 -15.529 -0.246 0.484 672 HA LYS 87 HA LYS 87 -18.042 -1.581 0.171 673 HB2 LYS 87 1HB LYS 87 -17.538 -2.659 2.118 674 HB3 LYS 87 2HB LYS 87 -15.920 -2.112 1.694 675 HG2 LYS 87 1HG LYS 87 -16.154 -0.207 3.186 676 HG3 LYS 87 2HG LYS 87 -17.798 -0.709 3.586 677 HD2 LYS 87 1HD LYS 87 -15.394 -2.464 4.035 678 HD3 LYS 87 2HD LYS 87 -16.006 -1.343 5.253 679 HE2 LYS 87 1HE LYS 87 -18.131 -2.479 5.293 680 HE3 LYS 87 2HE LYS 87 -17.641 -3.521 3.959 681 HZ1 LYS 87 1HZ LYS 87 -17.494 -4.423 6.337 682 HZ2 LYS 87 2HZ LYS 87 -16.101 -3.474 6.474 683 HZ3 LYS 87 3HZ LYS 87 -16.182 -4.690 5.301 684 H ARG 88 H ARG 88 -17.185 1.572 0.949 685 HA ARG 88 HA ARG 88 -19.669 2.022 2.456 686 HB2 ARG 88 1HB ARG 88 -18.672 4.181 3.111 687 HB3 ARG 88 2HB ARG 88 -17.673 2.816 3.593 688 HG2 ARG 88 1HG ARG 88 -16.062 4.171 2.749 689 HG3 ARG 88 2HG ARG 88 -16.509 3.317 1.271 690 HD2 ARG 88 1HD ARG 88 -16.464 5.575 0.655 691 HD3 ARG 88 2HD ARG 88 -18.174 5.213 0.888 692 HE ARG 88 HE ARG 88 -17.170 6.180 3.302 693 HH11 ARG 88 1HH1 ARG 88 -17.736 7.302 0.055 694 HH12 ARG 88 2HH1 ARG 88 -17.991 8.950 0.529 695 HH21 ARG 88 1HH2 ARG 88 -17.503 8.346 3.938 696 HH22 ARG 88 2HH2 ARG 88 -17.857 9.541 2.738 697 H SER 89 H SER 89 -18.062 2.635 -0.528 698 HA SER 89 HA SER 89 -19.768 4.841 -1.288 699 HB2 SER 89 1HB SER 89 -17.611 3.281 -2.697 700 HB3 SER 89 2HB SER 89 -18.616 4.444 -3.560 701 HG SER 89 HG SER 89 -17.041 5.716 -2.881 702 H GLY 90 H GLY 90 -21.864 4.050 -1.252 703 HA2 GLY 90 1HA GLY 90 -22.772 2.790 -3.621 704 HA3 GLY 90 2HA GLY 90 -22.766 1.633 -2.298 705 HA PRO 91 HA PRO 91 -26.788 3.034 -1.225 706 HB2 PRO 91 1HB PRO 91 -26.859 2.232 1.367 707 HB3 PRO 91 2HB PRO 91 -26.971 1.106 0.009 708 HG2 PRO 91 1HG PRO 91 -24.602 1.806 1.699 709 HG3 PRO 91 2HG PRO 91 -25.135 0.216 1.124 710 HD2 PRO 91 1HD PRO 91 -23.131 1.597 -0.062 711 HD3 PRO 91 2HD PRO 91 -24.218 0.525 -0.968 712 H SER 92 H SER 92 -23.941 4.237 0.233 713 HA SER 92 HA SER 92 -24.733 5.852 2.280 714 HB2 SER 92 1HB SER 92 -22.396 5.609 1.327 715 HB3 SER 92 2HB SER 92 -22.853 6.801 0.110 716 HG SER 92 HG SER 92 -21.861 7.360 2.388 717 H SER 93 H SER 93 -25.035 8.256 2.287 718 HA SER 93 HA SER 93 -27.145 8.934 0.387 719 HB2 SER 93 1HB SER 93 -27.547 10.857 1.967 720 HB3 SER 93 2HB SER 93 -27.747 9.260 2.689 721 HG SER 93 HG SER 93 -26.515 10.601 4.040 722 H GLY 94 H GLY 94 -26.065 9.532 -1.468 723 HA2 GLY 94 1HA GLY 94 -24.863 12.175 -1.395 724 HA3 GLY 94 2HA GLY 94 -23.796 10.882 -1.922 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -13.933 -27.686 21.978 2 HA2 GLY 1 1HA GLY 1 -12.556 -26.162 23.504 3 HA3 GLY 1 2HA GLY 1 -12.417 -27.600 24.505 4 H SER 2 H SER 2 -11.492 -26.104 21.479 5 HA SER 2 HA SER 2 -9.046 -27.632 21.445 6 HB2 SER 2 1HB SER 2 -11.207 -28.064 19.401 7 HB3 SER 2 2HB SER 2 -9.510 -28.267 18.964 8 HG SER 2 HG SER 2 -11.124 -29.815 20.604 9 H SER 3 H SER 3 -7.416 -26.571 20.420 10 HA SER 3 HA SER 3 -7.872 -24.530 18.467 11 HB2 SER 3 1HB SER 3 -8.420 -23.487 20.785 12 HB3 SER 3 2HB SER 3 -6.673 -23.507 21.029 13 HG SER 3 HG SER 3 -6.465 -21.921 19.655 14 H GLY 4 H GLY 4 -6.293 -25.144 17.128 15 HA2 GLY 4 1HA GLY 4 -3.560 -24.768 17.872 16 HA3 GLY 4 2HA GLY 4 -3.956 -26.473 17.720 17 H SER 5 H SER 5 -4.682 -23.497 15.889 18 HA SER 5 HA SER 5 -4.185 -24.988 13.415 19 HB2 SER 5 1HB SER 5 -6.318 -23.845 13.477 20 HB3 SER 5 2HB SER 5 -5.534 -22.324 13.906 21 HG SER 5 HG SER 5 -4.688 -23.588 11.573 22 H SER 6 H SER 6 -1.881 -24.961 13.661 23 HA SER 6 HA SER 6 -0.702 -22.530 12.581 24 HB2 SER 6 1HB SER 6 0.961 -22.271 14.255 25 HB3 SER 6 2HB SER 6 -0.558 -22.459 15.131 26 HG SER 6 HG SER 6 1.318 -24.530 14.621 27 H GLY 7 H GLY 7 1.325 -22.863 11.559 28 HA2 GLY 7 1HA GLY 7 2.927 -25.070 11.525 29 HA3 GLY 7 2HA GLY 7 1.604 -25.504 10.453 30 H ASP 8 H ASP 8 3.269 -22.403 10.955 31 HA ASP 8 HA ASP 8 3.481 -22.028 8.102 32 HB2 ASP 8 1HB ASP 8 4.777 -20.259 10.157 33 HB3 ASP 8 2HB ASP 8 4.137 -19.827 8.574 34 H ILE 9 H ILE 9 5.222 -22.336 6.848 35 HA ILE 9 HA ILE 9 7.533 -23.637 8.016 36 HB ILE 9 HB ILE 9 6.913 -22.997 5.130 37 HG12 ILE 9 1HG1 ILE 9 5.330 -24.589 6.122 38 HG13 ILE 9 2HG1 ILE 9 6.372 -25.387 4.949 39 HG21 ILE 9 1HG2 ILE 9 8.671 -24.937 4.897 40 HG22 ILE 9 2HG2 ILE 9 9.187 -23.261 5.073 41 HG23 ILE 9 3HG2 ILE 9 9.207 -24.340 6.467 42 HD11 ILE 9 1HD1 ILE 9 6.001 -25.924 7.757 43 HD12 ILE 9 2HD1 ILE 9 6.762 -26.909 6.507 44 HD13 ILE 9 3HD1 ILE 9 7.702 -25.683 7.359 45 H VAL 10 H VAL 10 9.540 -22.804 8.226 46 HA VAL 10 HA VAL 10 9.895 -20.003 8.244 47 HB VAL 10 HB VAL 10 12.247 -20.460 8.730 48 HG11 VAL 10 1HG1 VAL 10 10.042 -21.252 10.247 49 HG12 VAL 10 2HG1 VAL 10 11.210 -22.567 10.401 50 HG13 VAL 10 3HG1 VAL 10 11.673 -20.918 10.829 51 HG21 VAL 10 1HG2 VAL 10 11.512 -23.230 7.849 52 HG22 VAL 10 2HG2 VAL 10 12.858 -22.221 7.322 53 HG23 VAL 10 3HG2 VAL 10 12.874 -22.943 8.932 54 H ALA 11 H ALA 11 11.161 -18.665 6.933 55 HA ALA 11 HA ALA 11 12.183 -19.748 4.426 56 HB1 ALA 11 1HB ALA 11 9.658 -18.740 4.437 57 HB2 ALA 11 2HB ALA 11 10.605 -17.311 4.020 58 HB3 ALA 11 3HB ALA 11 10.725 -18.767 3.031 59 H ARG 12 H ARG 12 13.780 -18.490 3.462 60 HA ARG 12 HA ARG 12 14.580 -16.060 4.914 61 HB2 ARG 12 1HB ARG 12 16.972 -16.792 4.538 62 HB3 ARG 12 2HB ARG 12 16.071 -17.715 5.733 63 HG2 ARG 12 1HG ARG 12 15.634 -19.425 3.964 64 HG3 ARG 12 2HG ARG 12 16.738 -18.532 2.917 65 HD2 ARG 12 1HD ARG 12 18.109 -20.154 3.847 66 HD3 ARG 12 2HD ARG 12 18.406 -18.753 4.875 67 HE ARG 12 HE ARG 12 16.366 -20.140 6.087 68 HH11 ARG 12 1HH1 ARG 12 19.648 -20.808 5.135 69 HH12 ARG 12 2HH1 ARG 12 19.919 -21.957 6.402 70 HH21 ARG 12 1HH2 ARG 12 16.711 -21.651 7.761 71 HH22 ARG 12 2HH2 ARG 12 18.249 -22.436 7.895 72 H LEU 13 H LEU 13 14.573 -14.396 3.566 73 HA LEU 13 HA LEU 13 15.117 -14.878 0.716 74 HB2 LEU 13 1HB LEU 13 13.734 -13.105 0.175 75 HB3 LEU 13 2HB LEU 13 12.908 -13.852 1.541 76 HG LEU 13 HG LEU 13 14.744 -11.556 2.046 77 HD11 LEU 13 1HD1 LEU 13 12.859 -11.268 0.119 78 HD12 LEU 13 2HD1 LEU 13 13.418 -9.970 1.174 79 HD13 LEU 13 3HD1 LEU 13 11.938 -10.847 1.564 80 HD21 LEU 13 1HD2 LEU 13 12.317 -11.421 3.465 81 HD22 LEU 13 2HD2 LEU 13 13.913 -11.849 4.081 82 HD23 LEU 13 3HD2 LEU 13 12.827 -13.109 3.493 83 H GLN 14 H GLN 14 16.627 -13.669 -0.379 84 HA GLN 14 HA GLN 14 18.410 -12.042 1.307 85 HB2 GLN 14 1HB GLN 14 19.044 -13.580 -1.217 86 HB3 GLN 14 2HB GLN 14 20.190 -12.600 -0.310 87 HG2 GLN 14 1HG GLN 14 18.737 -14.847 1.018 88 HG3 GLN 14 2HG GLN 14 20.160 -15.158 0.025 89 HE21 GLN 14 1HE2 GLN 14 20.536 -15.950 2.426 90 HE22 GLN 14 2HE2 GLN 14 21.457 -14.849 3.386 91 H THR 15 H THR 15 17.283 -12.334 -2.062 92 HA THR 15 HA THR 15 18.075 -9.693 -2.769 93 HB THR 15 HB THR 15 16.582 -10.083 -4.784 94 HG1 THR 15 HG1 THR 15 16.184 -12.556 -4.849 95 HG21 THR 15 1HG2 THR 15 19.013 -10.599 -4.728 96 HG22 THR 15 2HG2 THR 15 18.102 -11.655 -5.806 97 HG23 THR 15 3HG2 THR 15 18.617 -12.241 -4.225 98 H GLN 16 H GLN 16 16.335 -8.201 -3.802 99 HA GLN 16 HA GLN 16 14.180 -7.874 -1.822 100 HB2 GLN 16 1HB GLN 16 15.814 -5.880 -3.364 101 HB3 GLN 16 2HB GLN 16 14.250 -5.438 -2.694 102 HG2 GLN 16 1HG GLN 16 15.240 -6.397 -0.484 103 HG3 GLN 16 2HG GLN 16 16.785 -6.130 -1.290 104 HE21 GLN 16 1HE2 GLN 16 14.981 -4.829 0.935 105 HE22 GLN 16 2HE2 GLN 16 15.203 -3.143 0.636 106 H ALA 17 H ALA 17 12.102 -7.620 -2.483 107 HA ALA 17 HA ALA 17 11.611 -7.868 -5.379 108 HB1 ALA 17 1HB ALA 17 10.898 -9.813 -4.053 109 HB2 ALA 17 2HB ALA 17 9.835 -8.765 -3.113 110 HB3 ALA 17 3HB ALA 17 9.540 -9.002 -4.835 111 H SER 18 H SER 18 9.388 -7.015 -6.023 112 HA SER 18 HA SER 18 8.554 -4.678 -4.486 113 HB2 SER 18 1HB SER 18 8.546 -3.394 -6.754 114 HB3 SER 18 2HB SER 18 10.061 -3.546 -5.865 115 HG SER 18 HG SER 18 9.419 -5.534 -7.717 116 H ALA 19 H ALA 19 6.409 -4.481 -4.469 117 HA ALA 19 HA ALA 19 4.868 -5.860 -6.570 118 HB1 ALA 19 1HB ALA 19 3.989 -7.122 -4.968 119 HB2 ALA 19 2HB ALA 19 4.796 -6.183 -3.710 120 HB3 ALA 19 3HB ALA 19 3.222 -5.670 -4.322 121 H THR 20 H THR 20 2.532 -5.016 -6.629 122 HA THR 20 HA THR 20 2.396 -2.136 -6.104 123 HB THR 20 HB THR 20 1.180 -2.069 -8.453 124 HG1 THR 20 HG1 THR 20 1.864 -4.477 -8.568 125 HG21 THR 20 1HG2 THR 20 4.019 -1.748 -7.677 126 HG22 THR 20 2HG2 THR 20 2.891 -0.577 -8.363 127 HG23 THR 20 3HG2 THR 20 3.670 -1.767 -9.405 128 H VAL 21 H VAL 21 0.207 -1.271 -6.220 129 HA VAL 21 HA VAL 21 -1.893 -3.310 -5.936 130 HB VAL 21 HB VAL 21 -1.325 -2.696 -3.684 131 HG11 VAL 21 1HG1 VAL 21 -0.382 -0.402 -4.575 132 HG12 VAL 21 2HG1 VAL 21 -1.981 0.175 -4.103 133 HG13 VAL 21 3HG1 VAL 21 -0.928 -0.581 -2.908 134 HG21 VAL 21 1HG2 VAL 21 -3.527 -2.885 -3.383 135 HG22 VAL 21 2HG2 VAL 21 -3.579 -1.123 -3.374 136 HG23 VAL 21 3HG2 VAL 21 -3.884 -2.006 -4.869 137 H ALA 22 H ALA 22 -3.491 -2.940 -7.312 138 HA ALA 22 HA ALA 22 -3.713 -0.440 -8.711 139 HB1 ALA 22 1HB ALA 22 -4.122 -2.408 -9.975 140 HB2 ALA 22 2HB ALA 22 -5.322 -2.982 -8.817 141 HB3 ALA 22 3HB ALA 22 -5.666 -1.571 -9.816 142 H ILE 23 H ILE 23 -4.546 1.254 -7.660 143 HA ILE 23 HA ILE 23 -7.193 0.944 -6.442 144 HB ILE 23 HB ILE 23 -6.378 2.660 -4.680 145 HG12 ILE 23 1HG1 ILE 23 -3.762 1.390 -5.513 146 HG13 ILE 23 2HG1 ILE 23 -4.185 3.092 -5.659 147 HG21 ILE 23 1HG2 ILE 23 -6.485 0.956 -3.234 148 HG22 ILE 23 2HG2 ILE 23 -6.749 -0.049 -4.657 149 HG23 ILE 23 3HG2 ILE 23 -5.128 0.114 -3.983 150 HD11 ILE 23 1HD1 ILE 23 -3.891 3.494 -3.436 151 HD12 ILE 23 2HD1 ILE 23 -4.280 1.838 -2.970 152 HD13 ILE 23 3HD1 ILE 23 -2.709 2.208 -3.679 153 HA PRO 24 HA PRO 24 -8.204 4.643 -8.580 154 HB2 PRO 24 1HB PRO 24 -10.025 5.750 -6.897 155 HB3 PRO 24 2HB PRO 24 -10.367 4.320 -7.876 156 HG2 PRO 24 1HG PRO 24 -9.594 4.499 -4.989 157 HG3 PRO 24 2HG PRO 24 -10.827 3.480 -5.756 158 HD2 PRO 24 1HD PRO 24 -8.383 2.540 -5.066 159 HD3 PRO 24 2HD PRO 24 -9.279 1.928 -6.471 160 H LYS 25 H LYS 25 -7.579 6.749 -8.741 161 HA LYS 25 HA LYS 25 -5.564 7.746 -7.089 162 HB2 LYS 25 1HB LYS 25 -7.393 9.311 -8.917 163 HB3 LYS 25 2HB LYS 25 -5.839 9.856 -8.300 164 HG2 LYS 25 1HG LYS 25 -6.176 7.417 -10.027 165 HG3 LYS 25 2HG LYS 25 -5.821 9.026 -10.658 166 HD2 LYS 25 1HD LYS 25 -4.111 7.777 -8.534 167 HD3 LYS 25 2HD LYS 25 -3.858 7.414 -10.242 168 HE2 LYS 25 1HE LYS 25 -2.436 9.187 -10.005 169 HE3 LYS 25 2HE LYS 25 -3.911 10.042 -10.452 170 HZ1 LYS 25 1HZ LYS 25 -4.049 10.997 -8.452 171 HZ2 LYS 25 2HZ LYS 25 -2.420 10.577 -8.276 172 HZ3 LYS 25 3HZ LYS 25 -3.624 9.587 -7.620 173 H GLU 26 H GLU 26 -8.873 7.591 -6.519 174 HA GLU 26 HA GLU 26 -9.055 9.970 -4.888 175 HB2 GLU 26 1HB GLU 26 -11.311 9.549 -4.742 176 HB3 GLU 26 2HB GLU 26 -10.935 8.732 -6.252 177 HG2 GLU 26 1HG GLU 26 -10.553 6.680 -4.637 178 HG3 GLU 26 2HG GLU 26 -11.646 7.600 -3.604 179 H HIS 27 H HIS 27 -8.198 6.665 -4.477 180 HA HIS 27 HA HIS 27 -8.603 6.718 -1.595 181 HB2 HIS 27 1HB HIS 27 -7.637 4.598 -3.511 182 HB3 HIS 27 2HB HIS 27 -7.586 4.381 -1.764 183 HD1 HIS 27 HD1 HIS 27 -9.275 2.443 -3.290 184 HD2 HIS 27 HD2 HIS 27 -10.749 6.070 -1.902 185 HE1 HIS 27 HE1 HIS 27 -11.767 2.143 -3.143 186 H HIS 28 H HIS 28 -6.056 7.081 -3.931 187 HA HIS 28 HA HIS 28 -3.771 6.515 -2.553 188 HB2 HIS 28 1HB HIS 28 -4.369 8.807 -4.420 189 HB3 HIS 28 2HB HIS 28 -2.750 8.490 -3.802 190 HD2 HIS 28 HD2 HIS 28 -4.481 5.210 -4.588 191 HE1 HIS 28 HE1 HIS 28 -2.224 6.227 -8.033 192 HE2 HIS 28 HE2 HIS 28 -3.612 4.454 -6.903 193 H ARG 29 H ARG 29 -5.662 9.514 -2.335 194 HA ARG 29 HA ARG 29 -4.051 10.956 -0.618 195 HB2 ARG 29 1HB ARG 29 -6.059 12.172 0.041 196 HB3 ARG 29 2HB ARG 29 -6.070 11.862 -1.690 197 HG2 ARG 29 1HG ARG 29 -7.527 9.850 -1.168 198 HG3 ARG 29 2HG ARG 29 -7.701 10.536 0.449 199 HD2 ARG 29 1HD ARG 29 -8.280 12.136 -2.025 200 HD3 ARG 29 2HD ARG 29 -9.498 11.098 -1.284 201 HE ARG 29 HE ARG 29 -8.575 12.649 0.765 202 HH11 ARG 29 1HH1 ARG 29 -9.966 13.267 -2.366 203 HH12 ARG 29 2HH1 ARG 29 -10.701 14.762 -1.889 204 HH21 ARG 29 1HH2 ARG 29 -9.537 14.616 1.405 205 HH22 ARG 29 2HH2 ARG 29 -10.454 15.529 0.256 206 H PHE 30 H PHE 30 -6.505 8.526 0.179 207 HA PHE 30 HA PHE 30 -6.381 8.783 2.969 208 HB2 PHE 30 1HB PHE 30 -7.236 6.588 1.114 209 HB3 PHE 30 2HB PHE 30 -7.150 6.287 2.846 210 HD1 PHE 30 HD1 PHE 30 -8.439 7.904 4.374 211 HD2 PHE 30 HD2 PHE 30 -9.129 7.546 0.190 212 HE1 PHE 30 HE1 PHE 30 -10.670 8.902 4.660 213 HE2 PHE 30 HE2 PHE 30 -11.360 8.545 0.468 214 HZ PHE 30 HZ PHE 30 -12.133 9.226 2.705 215 H VAL 31 H VAL 31 -4.078 7.631 0.790 216 HA VAL 31 HA VAL 31 -2.741 5.990 2.826 217 HB VAL 31 HB VAL 31 -1.993 6.278 -0.085 218 HG11 VAL 31 1HG1 VAL 31 -0.257 4.959 0.355 219 HG12 VAL 31 2HG1 VAL 31 -0.594 5.212 2.070 220 HG13 VAL 31 3HG1 VAL 31 -1.268 3.812 1.233 221 HG21 VAL 31 1HG2 VAL 31 -3.234 4.365 -0.600 222 HG22 VAL 31 2HG2 VAL 31 -3.443 3.931 1.097 223 HG23 VAL 31 3HG2 VAL 31 -4.313 5.311 0.426 224 H ILE 32 H ILE 32 -2.549 8.996 1.147 225 HA ILE 32 HA ILE 32 0.244 9.437 1.776 226 HB ILE 32 HB ILE 32 -1.803 11.346 0.642 227 HG12 ILE 32 1HG1 ILE 32 0.417 9.939 -0.837 228 HG13 ILE 32 2HG1 ILE 32 -1.204 9.265 -0.714 229 HG21 ILE 32 1HG2 ILE 32 1.186 11.551 0.945 230 HG22 ILE 32 2HG2 ILE 32 0.226 12.618 -0.079 231 HG23 ILE 32 3HG2 ILE 32 -0.043 12.593 1.664 232 HD11 ILE 32 1HD1 ILE 32 -2.121 11.191 -1.849 233 HD12 ILE 32 2HD1 ILE 32 -0.526 11.940 -1.910 234 HD13 ILE 32 3HD1 ILE 32 -0.841 10.460 -2.816 235 H GLY 33 H GLY 33 -2.916 10.456 2.957 236 HA2 GLY 33 1HA GLY 33 -3.129 10.879 5.346 237 HA3 GLY 33 2HA GLY 33 -1.551 11.650 5.287 238 H LYS 34 H LYS 34 -3.359 13.105 6.489 239 HA LYS 34 HA LYS 34 -5.095 14.678 4.979 240 HB2 LYS 34 1HB LYS 34 -5.191 14.674 7.395 241 HB3 LYS 34 2HB LYS 34 -3.568 15.342 7.500 242 HG2 LYS 34 1HG LYS 34 -4.673 17.279 6.072 243 HG3 LYS 34 2HG LYS 34 -6.134 16.676 6.857 244 HD2 LYS 34 1HD LYS 34 -3.670 17.246 8.461 245 HD3 LYS 34 2HD LYS 34 -4.763 18.554 8.004 246 HE2 LYS 34 1HE LYS 34 -5.848 16.077 9.278 247 HE3 LYS 34 2HE LYS 34 -5.086 17.315 10.275 248 HZ1 LYS 34 1HZ LYS 34 -7.497 17.605 10.092 249 HZ2 LYS 34 2HZ LYS 34 -7.352 17.791 8.417 250 HZ3 LYS 34 3HZ LYS 34 -6.655 18.929 9.457 251 H ASN 35 H ASN 35 -1.814 15.543 6.090 252 HA ASN 35 HA ASN 35 -1.694 17.524 3.920 253 HB2 ASN 35 1HB ASN 35 -0.262 17.329 6.565 254 HB3 ASN 35 2HB ASN 35 0.291 18.402 5.283 255 HD21 ASN 35 1HD2 ASN 35 -1.421 18.319 8.029 256 HD22 ASN 35 2HD2 ASN 35 -2.505 19.638 7.760 257 H GLY 36 H GLY 36 -0.197 14.670 5.234 258 HA2 GLY 36 1HA GLY 36 0.908 13.491 3.185 259 HA3 GLY 36 2HA GLY 36 2.008 14.856 3.305 260 H GLU 37 H GLU 37 0.506 12.638 5.662 261 HA GLU 37 HA GLU 37 3.213 12.079 6.685 262 HB2 GLU 37 1HB GLU 37 0.795 11.920 8.446 263 HB3 GLU 37 2HB GLU 37 2.478 12.164 8.891 264 HG2 GLU 37 1HG GLU 37 2.182 14.409 7.581 265 HG3 GLU 37 2HG GLU 37 0.473 14.129 7.908 266 H LYS 38 H LYS 38 -0.112 10.813 6.557 267 HA LYS 38 HA LYS 38 0.090 8.286 7.392 268 HB2 LYS 38 1HB LYS 38 -1.782 9.549 5.991 269 HB3 LYS 38 2HB LYS 38 -1.114 8.584 4.681 270 HG2 LYS 38 1HG LYS 38 -2.258 7.548 7.267 271 HG3 LYS 38 2HG LYS 38 -3.000 7.452 5.668 272 HD2 LYS 38 1HD LYS 38 -0.991 6.129 4.931 273 HD3 LYS 38 2HD LYS 38 -0.499 6.071 6.627 274 HE2 LYS 38 1HE LYS 38 -1.681 4.045 6.068 275 HE3 LYS 38 2HE LYS 38 -2.659 5.004 7.177 276 HZ1 LYS 38 1HZ LYS 38 -3.361 5.781 4.609 277 HZ2 LYS 38 2HZ LYS 38 -4.293 4.895 5.708 278 HZ3 LYS 38 3HZ LYS 38 -3.310 4.090 4.590 279 H LEU 39 H LEU 39 1.405 9.474 4.341 280 HA LEU 39 HA LEU 39 2.308 6.899 3.470 281 HB2 LEU 39 1HB LEU 39 1.923 8.353 1.715 282 HB3 LEU 39 2HB LEU 39 2.679 9.712 2.543 283 HG LEU 39 HG LEU 39 4.890 8.538 2.188 284 HD11 LEU 39 1HD1 LEU 39 3.333 6.411 1.460 285 HD12 LEU 39 2HD1 LEU 39 5.049 6.595 1.100 286 HD13 LEU 39 3HD1 LEU 39 3.841 7.058 -0.099 287 HD21 LEU 39 1HD2 LEU 39 4.937 10.171 0.676 288 HD22 LEU 39 2HD2 LEU 39 3.223 9.982 0.305 289 HD23 LEU 39 3HD2 LEU 39 4.419 8.967 -0.505 290 H GLN 40 H GLN 40 3.811 9.706 5.012 291 HA GLN 40 HA GLN 40 6.461 8.756 4.950 292 HB2 GLN 40 1HB GLN 40 6.988 10.632 6.127 293 HB3 GLN 40 2HB GLN 40 5.374 11.107 5.614 294 HG2 GLN 40 1HG GLN 40 4.482 10.308 7.764 295 HG3 GLN 40 2HG GLN 40 6.124 9.921 8.276 296 HE21 GLN 40 1HE2 GLN 40 7.343 11.475 9.150 297 HE22 GLN 40 2HE2 GLN 40 6.894 13.138 9.269 298 H ASP 41 H ASP 41 3.829 8.301 7.239 299 HA ASP 41 HA ASP 41 5.419 7.016 9.231 300 HB2 ASP 41 1HB ASP 41 3.041 8.151 9.383 301 HB3 ASP 41 2HB ASP 41 2.479 6.525 9.003 302 H LEU 42 H LEU 42 3.373 5.895 6.579 303 HA LEU 42 HA LEU 42 3.476 3.147 7.192 304 HB2 LEU 42 1HB LEU 42 2.793 4.779 4.813 305 HB3 LEU 42 2HB LEU 42 3.146 3.073 4.548 306 HG LEU 42 HG LEU 42 1.015 4.129 6.406 307 HD11 LEU 42 1HD1 LEU 42 0.884 3.088 3.588 308 HD12 LEU 42 2HD1 LEU 42 0.320 4.640 4.203 309 HD13 LEU 42 3HD1 LEU 42 -0.516 3.155 4.658 310 HD21 LEU 42 1HD2 LEU 42 0.782 1.393 5.493 311 HD22 LEU 42 2HD2 LEU 42 0.739 2.044 7.131 312 HD23 LEU 42 3HD2 LEU 42 2.286 1.663 6.374 313 H GLU 43 H GLU 43 5.419 5.116 4.953 314 HA GLU 43 HA GLU 43 7.056 3.118 3.946 315 HB2 GLU 43 1HB GLU 43 7.374 6.060 4.346 316 HB3 GLU 43 2HB GLU 43 8.786 5.119 3.885 317 HG2 GLU 43 1HG GLU 43 7.628 4.319 1.903 318 HG3 GLU 43 2HG GLU 43 6.189 5.223 2.369 319 H LEU 44 H LEU 44 7.121 4.703 7.044 320 HA LEU 44 HA LEU 44 9.743 3.694 7.732 321 HB2 LEU 44 1HB LEU 44 7.651 5.292 9.157 322 HB3 LEU 44 2HB LEU 44 8.994 4.579 10.048 323 HG LEU 44 HG LEU 44 9.389 6.447 7.721 324 HD11 LEU 44 1HD1 LEU 44 10.004 7.983 9.806 325 HD12 LEU 44 2HD1 LEU 44 8.732 7.016 10.550 326 HD13 LEU 44 3HD1 LEU 44 8.390 7.949 9.094 327 HD21 LEU 44 1HD2 LEU 44 11.235 4.899 8.494 328 HD22 LEU 44 2HD2 LEU 44 11.238 5.808 10.006 329 HD23 LEU 44 3HD2 LEU 44 11.615 6.621 8.487 330 H LYS 45 H LYS 45 6.545 3.322 9.271 331 HA LYS 45 HA LYS 45 7.075 1.231 10.939 332 HB2 LYS 45 1HB LYS 45 4.912 2.410 10.829 333 HB3 LYS 45 2HB LYS 45 4.549 1.595 9.314 334 HG2 LYS 45 1HG LYS 45 4.419 -0.523 10.393 335 HG3 LYS 45 2HG LYS 45 5.051 0.145 11.901 336 HD2 LYS 45 1HD LYS 45 2.798 0.094 12.360 337 HD3 LYS 45 2HD LYS 45 2.966 1.727 11.711 338 HE2 LYS 45 1HE LYS 45 1.129 0.943 10.555 339 HE3 LYS 45 2HE LYS 45 2.441 0.584 9.433 340 HZ1 LYS 45 1HZ LYS 45 2.484 -1.689 10.475 341 HZ2 LYS 45 2HZ LYS 45 1.120 -1.339 9.539 342 HZ3 LYS 45 3HZ LYS 45 1.020 -1.295 11.227 343 H THR 46 H THR 46 6.293 1.044 7.492 344 HA THR 46 HA THR 46 6.613 -1.853 7.517 345 HB THR 46 HB THR 46 5.792 -1.865 5.289 346 HG1 THR 46 HG1 THR 46 6.582 0.831 5.321 347 HG21 THR 46 1HG2 THR 46 3.715 -0.435 5.457 348 HG22 THR 46 2HG2 THR 46 4.375 0.201 6.964 349 HG23 THR 46 3HG2 THR 46 4.004 -1.517 6.819 350 H ALA 47 H ALA 47 8.499 0.914 7.009 351 HA ALA 47 HA ALA 47 10.600 1.278 6.207 352 HB1 ALA 47 1HB ALA 47 11.870 -0.047 7.452 353 HB2 ALA 47 2HB ALA 47 10.605 -1.275 7.515 354 HB3 ALA 47 3HB ALA 47 11.764 -1.271 6.186 355 H THR 48 H THR 48 8.571 0.767 4.257 356 HA THR 48 HA THR 48 10.111 -0.599 2.149 357 HB THR 48 HB THR 48 7.960 -0.818 0.932 358 HG1 THR 48 HG1 THR 48 6.381 0.397 1.630 359 HG21 THR 48 1HG2 THR 48 7.793 -1.972 3.715 360 HG22 THR 48 2HG2 THR 48 8.837 -2.608 2.444 361 HG23 THR 48 3HG2 THR 48 7.086 -2.629 2.241 362 H LYS 49 H LYS 49 9.573 0.294 -0.102 363 HA LYS 49 HA LYS 49 9.817 3.220 0.020 364 HB2 LYS 49 1HB LYS 49 11.715 2.037 -0.991 365 HB3 LYS 49 2HB LYS 49 10.635 1.293 -2.164 366 HG2 LYS 49 1HG LYS 49 11.638 3.048 -3.322 367 HG3 LYS 49 2HG LYS 49 10.048 3.673 -2.873 368 HD2 LYS 49 1HD LYS 49 11.486 5.428 -2.346 369 HD3 LYS 49 2HD LYS 49 11.248 4.618 -0.796 370 HE2 LYS 49 1HE LYS 49 13.521 3.763 -2.517 371 HE3 LYS 49 2HE LYS 49 13.654 5.291 -1.646 372 HZ1 LYS 49 1HZ LYS 49 13.823 2.611 -0.655 373 HZ2 LYS 49 2HZ LYS 49 12.718 3.545 0.222 374 HZ3 LYS 49 3HZ LYS 49 14.322 4.060 0.063 375 H ILE 50 H ILE 50 7.595 3.679 0.100 376 HA ILE 50 HA ILE 50 5.809 2.680 -1.920 377 HB ILE 50 HB ILE 50 5.403 4.903 0.084 378 HG12 ILE 50 1HG1 ILE 50 4.373 2.066 0.195 379 HG13 ILE 50 2HG1 ILE 50 5.856 2.581 0.993 380 HG21 ILE 50 1HG2 ILE 50 3.892 5.109 -1.805 381 HG22 ILE 50 2HG2 ILE 50 3.417 3.420 -1.632 382 HG23 ILE 50 3HG2 ILE 50 3.011 4.584 -0.371 383 HD11 ILE 50 1HD1 ILE 50 4.656 3.177 2.746 384 HD12 ILE 50 2HD1 ILE 50 3.848 4.395 1.759 385 HD13 ILE 50 3HD1 ILE 50 3.164 2.775 1.897 386 H GLN 51 H GLN 51 5.327 3.565 -3.830 387 HA GLN 51 HA GLN 51 6.150 6.341 -4.343 388 HB2 GLN 51 1HB GLN 51 7.622 4.382 -5.326 389 HB3 GLN 51 2HB GLN 51 6.342 4.316 -6.531 390 HG2 GLN 51 1HG GLN 51 7.702 6.896 -5.866 391 HG3 GLN 51 2HG GLN 51 8.414 5.753 -7.003 392 HE21 GLN 51 1HE2 GLN 51 6.616 8.446 -6.814 393 HE22 GLN 51 2HE2 GLN 51 5.705 8.313 -8.275 394 H ILE 52 H ILE 52 4.286 7.398 -4.574 395 HA ILE 52 HA ILE 52 2.039 6.108 -5.927 396 HB ILE 52 HB ILE 52 2.133 8.780 -4.520 397 HG12 ILE 52 1HG1 ILE 52 0.832 6.270 -3.486 398 HG13 ILE 52 2HG1 ILE 52 2.522 6.629 -3.147 399 HG21 ILE 52 1HG2 ILE 52 -0.266 8.744 -4.634 400 HG22 ILE 52 2HG2 ILE 52 0.379 8.531 -6.259 401 HG23 ILE 52 3HG2 ILE 52 -0.250 7.143 -5.372 402 HD11 ILE 52 1HD1 ILE 52 0.323 8.565 -2.514 403 HD12 ILE 52 2HD1 ILE 52 0.823 7.297 -1.394 404 HD13 ILE 52 3HD1 ILE 52 1.976 8.534 -1.898 405 HA PRO 53 HA PRO 53 2.889 8.212 -9.721 406 HB2 PRO 53 1HB PRO 53 0.485 7.788 -10.909 407 HB3 PRO 53 2HB PRO 53 1.706 6.522 -10.732 408 HG2 PRO 53 1HG PRO 53 -0.727 7.051 -9.070 409 HG3 PRO 53 2HG PRO 53 -0.089 5.506 -9.660 410 HD2 PRO 53 1HD PRO 53 0.305 6.372 -7.124 411 HD3 PRO 53 2HD PRO 53 1.495 5.378 -7.990 412 H ARG 54 H ARG 54 2.575 10.217 -10.582 413 HA ARG 54 HA ARG 54 1.465 12.254 -9.079 414 HB2 ARG 54 1HB ARG 54 2.330 11.983 -11.912 415 HB3 ARG 54 2HB ARG 54 1.361 13.389 -11.495 416 HG2 ARG 54 1HG ARG 54 3.047 13.774 -9.616 417 HG3 ARG 54 2HG ARG 54 4.064 12.609 -10.465 418 HD2 ARG 54 1HD ARG 54 3.877 14.011 -12.504 419 HD3 ARG 54 2HD ARG 54 2.982 15.201 -11.560 420 HE ARG 54 HE ARG 54 5.234 14.953 -10.135 421 HH11 ARG 54 1HH1 ARG 54 4.689 15.407 -13.543 422 HH12 ARG 54 2HH1 ARG 54 6.165 16.280 -13.796 423 HH21 ARG 54 1HH2 ARG 54 7.180 16.100 -10.454 424 HH22 ARG 54 2HH2 ARG 54 7.581 16.672 -12.038 425 HA PRO 55 HA PRO 55 -2.868 12.280 -9.759 426 HB2 PRO 55 1HB PRO 55 -3.407 14.933 -9.949 427 HB3 PRO 55 2HB PRO 55 -2.967 14.150 -8.427 428 HG2 PRO 55 1HG PRO 55 -1.259 15.737 -10.304 429 HG3 PRO 55 2HG PRO 55 -1.318 15.786 -8.533 430 HD2 PRO 55 1HD PRO 55 0.607 14.450 -9.890 431 HD3 PRO 55 2HD PRO 55 0.000 13.908 -8.311 432 H ASP 56 H ASP 56 -0.757 13.601 -12.121 433 HA ASP 56 HA ASP 56 -2.914 13.918 -14.076 434 HB2 ASP 56 1HB ASP 56 -0.080 14.843 -13.905 435 HB3 ASP 56 2HB ASP 56 -0.793 14.628 -15.502 436 H ASP 57 H ASP 57 -0.268 11.837 -13.235 437 HA ASP 57 HA ASP 57 0.012 10.506 -15.718 438 HB2 ASP 57 1HB ASP 57 1.502 10.500 -13.526 439 HB3 ASP 57 2HB ASP 57 0.542 9.070 -13.154 440 HA PRO 58 HA PRO 58 -3.616 8.010 -15.794 441 HB2 PRO 58 1HB PRO 58 -2.755 6.084 -17.503 442 HB3 PRO 58 2HB PRO 58 -3.178 7.717 -18.031 443 HG2 PRO 58 1HG PRO 58 -0.479 6.545 -17.484 444 HG3 PRO 58 2HG PRO 58 -0.995 7.590 -18.819 445 HD2 PRO 58 1HD PRO 58 0.354 8.532 -16.669 446 HD3 PRO 58 2HD PRO 58 -0.846 9.505 -17.545 447 H SER 59 H SER 59 -0.718 7.099 -14.376 448 HA SER 59 HA SER 59 -1.475 4.365 -13.781 449 HB2 SER 59 1HB SER 59 0.892 6.083 -13.051 450 HB3 SER 59 2HB SER 59 0.637 4.499 -12.320 451 HG SER 59 HG SER 59 1.909 4.837 -14.455 452 H ASN 60 H ASN 60 -2.633 3.748 -12.083 453 HA ASN 60 HA ASN 60 -2.900 5.610 -9.815 454 HB2 ASN 60 1HB ASN 60 -5.201 4.842 -9.523 455 HB3 ASN 60 2HB ASN 60 -4.974 5.490 -11.146 456 HD21 ASN 60 1HD2 ASN 60 -6.560 3.217 -9.601 457 HD22 ASN 60 2HD2 ASN 60 -6.566 1.946 -10.773 458 H GLN 61 H GLN 61 -1.316 3.006 -10.556 459 HA GLN 61 HA GLN 61 -2.092 1.390 -8.237 460 HB2 GLN 61 1HB GLN 61 0.021 0.608 -10.219 461 HB3 GLN 61 2HB GLN 61 -0.990 -0.424 -9.218 462 HG2 GLN 61 1HG GLN 61 -2.851 -0.141 -10.599 463 HG3 GLN 61 2HG GLN 61 -2.158 1.273 -11.391 464 HE21 GLN 61 1HE2 GLN 61 -1.011 -2.025 -10.749 465 HE22 GLN 61 2HE2 GLN 61 -0.587 -2.378 -12.386 466 H ILE 62 H ILE 62 -0.987 1.523 -6.405 467 HA ILE 62 HA ILE 62 1.358 3.166 -6.217 468 HB ILE 62 HB ILE 62 -0.205 1.557 -4.218 469 HG12 ILE 62 1HG1 ILE 62 0.429 4.510 -4.346 470 HG13 ILE 62 2HG1 ILE 62 -1.026 3.789 -5.024 471 HG21 ILE 62 1HG2 ILE 62 2.417 2.974 -3.793 472 HG22 ILE 62 2HG2 ILE 62 1.323 2.530 -2.485 473 HG23 ILE 62 3HG2 ILE 62 2.045 1.277 -3.493 474 HD11 ILE 62 1HD1 ILE 62 -1.171 2.841 -2.521 475 HD12 ILE 62 2HD1 ILE 62 -0.315 4.355 -2.228 476 HD13 ILE 62 3HD1 ILE 62 -1.885 4.371 -3.033 477 H LYS 63 H LYS 63 3.436 2.540 -5.578 478 HA LYS 63 HA LYS 63 4.069 -0.279 -6.142 479 HB2 LYS 63 1HB LYS 63 5.094 1.265 -7.718 480 HB3 LYS 63 2HB LYS 63 5.789 2.195 -6.397 481 HG2 LYS 63 1HG LYS 63 7.357 0.555 -5.900 482 HG3 LYS 63 2HG LYS 63 6.450 -0.704 -6.742 483 HD2 LYS 63 1HD LYS 63 7.440 1.625 -8.313 484 HD3 LYS 63 2HD LYS 63 8.602 0.395 -7.810 485 HE2 LYS 63 1HE LYS 63 7.336 -1.325 -8.919 486 HE3 LYS 63 2HE LYS 63 6.044 -0.186 -9.297 487 HZ1 LYS 63 1HZ LYS 63 8.485 -0.682 -10.692 488 HZ2 LYS 63 2HZ LYS 63 8.289 0.961 -10.345 489 HZ3 LYS 63 3HZ LYS 63 7.097 0.131 -11.212 490 H ILE 64 H ILE 64 5.161 -1.484 -4.680 491 HA ILE 64 HA ILE 64 6.199 -0.150 -2.276 492 HB ILE 64 HB ILE 64 5.329 -2.424 -1.161 493 HG12 ILE 64 1HG1 ILE 64 3.248 -1.763 -3.257 494 HG13 ILE 64 2HG1 ILE 64 4.273 -3.195 -3.262 495 HG21 ILE 64 1HG2 ILE 64 4.874 0.115 -0.713 496 HG22 ILE 64 2HG2 ILE 64 3.316 -0.246 -1.455 497 HG23 ILE 64 3HG2 ILE 64 3.829 -1.119 -0.011 498 HD11 ILE 64 1HD1 ILE 64 2.811 -4.261 -1.999 499 HD12 ILE 64 2HD1 ILE 64 2.950 -3.025 -0.749 500 HD13 ILE 64 3HD1 ILE 64 1.762 -2.844 -2.041 501 H THR 65 H THR 65 8.250 -0.669 -1.965 502 HA THR 65 HA THR 65 9.175 -3.346 -2.774 503 HB THR 65 HB THR 65 10.832 -0.830 -3.005 504 HG1 THR 65 HG1 THR 65 8.979 -1.054 -4.517 505 HG21 THR 65 1HG2 THR 65 11.311 -3.541 -4.232 506 HG22 THR 65 2HG2 THR 65 11.981 -3.061 -2.673 507 HG23 THR 65 3HG2 THR 65 12.427 -2.180 -4.134 508 H GLY 66 H GLY 66 10.622 -4.364 -1.424 509 HA2 GLY 66 1HA GLY 66 12.305 -3.477 0.468 510 HA3 GLY 66 2HA GLY 66 10.754 -3.310 1.277 511 H THR 67 H THR 67 11.149 -4.850 2.840 512 HA THR 67 HA THR 67 11.989 -7.513 2.116 513 HB THR 67 HB THR 67 11.718 -8.037 4.506 514 HG1 THR 67 HG1 THR 67 10.441 -5.538 4.475 515 HG21 THR 67 1HG2 THR 67 13.308 -6.207 5.371 516 HG22 THR 67 2HG2 THR 67 13.237 -5.564 3.730 517 HG23 THR 67 3HG2 THR 67 13.847 -7.194 4.013 518 H LYS 68 H LYS 68 10.766 -9.374 2.143 519 HA LYS 68 HA LYS 68 8.275 -9.468 1.141 520 HB2 LYS 68 1HB LYS 68 9.946 -11.371 1.918 521 HB3 LYS 68 2HB LYS 68 8.859 -11.446 3.298 522 HG2 LYS 68 1HG LYS 68 7.724 -11.516 0.544 523 HG3 LYS 68 2HG LYS 68 8.471 -12.968 1.217 524 HD2 LYS 68 1HD LYS 68 6.359 -11.410 2.688 525 HD3 LYS 68 2HD LYS 68 5.961 -12.702 1.554 526 HE2 LYS 68 1HE LYS 68 7.801 -13.047 3.914 527 HE3 LYS 68 2HE LYS 68 6.075 -13.401 3.958 528 HZ1 LYS 68 1HZ LYS 68 6.321 -15.231 2.659 529 HZ2 LYS 68 2HZ LYS 68 7.842 -15.243 3.398 530 HZ3 LYS 68 3HZ LYS 68 7.667 -14.627 1.833 531 H GLU 69 H GLU 69 9.085 -8.956 4.522 532 HA GLU 69 HA GLU 69 6.344 -9.073 5.401 533 HB2 GLU 69 1HB GLU 69 8.834 -8.109 6.820 534 HB3 GLU 69 2HB GLU 69 7.260 -8.323 7.574 535 HG2 GLU 69 1HG GLU 69 7.344 -10.661 7.330 536 HG3 GLU 69 2HG GLU 69 8.701 -10.572 6.209 537 H GLY 70 H GLY 70 8.744 -6.530 4.811 538 HA2 GLY 70 1HA GLY 70 7.287 -4.333 5.700 539 HA3 GLY 70 2HA GLY 70 8.495 -4.281 4.423 540 H ILE 71 H ILE 71 7.563 -5.397 2.304 541 HA ILE 71 HA ILE 71 5.688 -3.677 1.226 542 HB ILE 71 HB ILE 71 6.267 -6.507 0.342 543 HG12 ILE 71 1HG1 ILE 71 7.444 -3.927 -0.699 544 HG13 ILE 71 2HG1 ILE 71 8.231 -4.923 0.522 545 HG21 ILE 71 1HG2 ILE 71 5.643 -5.189 -1.915 546 HG22 ILE 71 2HG2 ILE 71 4.470 -6.093 -0.959 547 HG23 ILE 71 3HG2 ILE 71 4.601 -4.345 -0.771 548 HD11 ILE 71 1HD1 ILE 71 8.903 -5.172 -1.957 549 HD12 ILE 71 2HD1 ILE 71 8.684 -6.620 -0.973 550 HD13 ILE 71 3HD1 ILE 71 7.417 -6.114 -2.091 551 H GLU 72 H GLU 72 5.175 -6.941 2.534 552 HA GLU 72 HA GLU 72 2.489 -7.251 1.962 553 HB2 GLU 72 1HB GLU 72 4.215 -8.239 4.209 554 HB3 GLU 72 2HB GLU 72 2.493 -8.596 4.192 555 HG2 GLU 72 1HG GLU 72 4.195 -9.201 1.811 556 HG3 GLU 72 2HG GLU 72 4.143 -10.300 3.188 557 H LYS 73 H LYS 73 3.887 -5.927 4.963 558 HA LYS 73 HA LYS 73 1.599 -5.272 6.316 559 HB2 LYS 73 1HB LYS 73 4.253 -3.857 6.161 560 HB3 LYS 73 2HB LYS 73 2.970 -3.303 7.228 561 HG2 LYS 73 1HG LYS 73 3.119 -5.157 8.592 562 HG3 LYS 73 2HG LYS 73 3.861 -6.150 7.336 563 HD2 LYS 73 1HD LYS 73 5.956 -5.267 7.688 564 HD3 LYS 73 2HD LYS 73 5.325 -3.749 8.332 565 HE2 LYS 73 1HE LYS 73 6.336 -5.000 10.120 566 HE3 LYS 73 2HE LYS 73 4.590 -4.971 10.359 567 HZ1 LYS 73 1HZ LYS 73 5.647 -7.228 8.859 568 HZ2 LYS 73 2HZ LYS 73 4.416 -7.178 10.017 569 HZ3 LYS 73 3HZ LYS 73 6.035 -7.184 10.505 570 H ALA 74 H ALA 74 3.374 -3.031 4.177 571 HA ALA 74 HA ALA 74 1.453 -0.999 4.195 572 HB1 ALA 74 1HB ALA 74 3.810 -1.676 2.570 573 HB2 ALA 74 2HB ALA 74 2.617 -0.639 1.786 574 HB3 ALA 74 3HB ALA 74 3.343 -0.149 3.317 575 H ARG 75 H ARG 75 1.770 -3.867 2.186 576 HA ARG 75 HA ARG 75 -0.199 -3.146 0.275 577 HB2 ARG 75 1HB ARG 75 1.652 -5.043 0.285 578 HB3 ARG 75 2HB ARG 75 0.331 -6.009 0.927 579 HG2 ARG 75 1HG ARG 75 -1.025 -5.276 -1.061 580 HG3 ARG 75 2HG ARG 75 0.463 -4.596 -1.721 581 HD2 ARG 75 1HD ARG 75 1.505 -6.746 -1.769 582 HD3 ARG 75 2HD ARG 75 0.170 -7.471 -0.875 583 HE ARG 75 HE ARG 75 -0.839 -6.352 -3.236 584 HH11 ARG 75 1HH1 ARG 75 1.221 -8.958 -2.194 585 HH12 ARG 75 2HH1 ARG 75 0.850 -9.968 -3.552 586 HH21 ARG 75 1HH2 ARG 75 -1.336 -7.672 -5.028 587 HH22 ARG 75 2HH2 ARG 75 -0.604 -9.235 -5.164 588 H HIS 76 H HIS 76 -0.308 -4.714 3.400 589 HA HIS 76 HA HIS 76 -3.011 -5.629 3.150 590 HB2 HIS 76 1HB HIS 76 -1.239 -6.605 4.687 591 HB3 HIS 76 2HB HIS 76 -1.489 -5.202 5.721 592 HD1 HIS 76 HD1 HIS 76 -3.827 -7.728 4.076 593 HD2 HIS 76 HD2 HIS 76 -3.158 -5.861 7.726 594 HE1 HIS 76 HE1 HIS 76 -5.595 -8.625 5.625 595 H GLU 77 H GLU 77 -1.430 -2.755 4.380 596 HA GLU 77 HA GLU 77 -3.775 -1.701 5.650 597 HB2 GLU 77 1HB GLU 77 -1.143 -0.427 4.891 598 HB3 GLU 77 2HB GLU 77 -2.416 0.408 5.770 599 HG2 GLU 77 1HG GLU 77 -1.097 -2.119 6.726 600 HG3 GLU 77 2HG GLU 77 -0.582 -0.498 7.188 601 H VAL 78 H VAL 78 -2.068 -1.082 2.603 602 HA VAL 78 HA VAL 78 -3.735 1.004 1.704 603 HB VAL 78 HB VAL 78 -1.464 0.351 0.773 604 HG11 VAL 78 1HG1 VAL 78 -1.346 -1.296 -0.955 605 HG12 VAL 78 2HG1 VAL 78 -2.066 -2.056 0.466 606 HG13 VAL 78 3HG1 VAL 78 -3.087 -1.568 -0.889 607 HG21 VAL 78 1HG2 VAL 78 -2.426 0.765 -1.690 608 HG22 VAL 78 2HG2 VAL 78 -3.855 1.196 -0.751 609 HG23 VAL 78 3HG2 VAL 78 -2.331 2.037 -0.472 610 H LEU 79 H LEU 79 -3.876 -2.501 1.261 611 HA LEU 79 HA LEU 79 -6.083 -2.455 -0.535 612 HB2 LEU 79 1HB LEU 79 -4.678 -4.544 1.061 613 HB3 LEU 79 2HB LEU 79 -6.249 -4.921 0.355 614 HG LEU 79 HG LEU 79 -3.985 -3.878 -1.320 615 HD11 LEU 79 1HD1 LEU 79 -3.765 -6.191 0.121 616 HD12 LEU 79 2HD1 LEU 79 -2.934 -5.848 -1.396 617 HD13 LEU 79 3HD1 LEU 79 -4.443 -6.759 -1.405 618 HD21 LEU 79 1HD2 LEU 79 -6.624 -5.191 -1.785 619 HD22 LEU 79 2HD2 LEU 79 -5.325 -5.411 -2.958 620 HD23 LEU 79 3HD2 LEU 79 -5.908 -3.789 -2.580 621 H LEU 80 H LEU 80 -5.763 -2.894 2.960 622 HA LEU 80 HA LEU 80 -8.417 -3.551 3.534 623 HB2 LEU 80 1HB LEU 80 -6.169 -2.349 5.068 624 HB3 LEU 80 2HB LEU 80 -7.784 -2.309 5.774 625 HG LEU 80 HG LEU 80 -6.301 -4.802 4.940 626 HD11 LEU 80 1HD1 LEU 80 -5.756 -3.261 7.111 627 HD12 LEU 80 2HD1 LEU 80 -5.496 -5.003 7.020 628 HD13 LEU 80 3HD1 LEU 80 -6.966 -4.369 7.759 629 HD21 LEU 80 1HD2 LEU 80 -8.309 -5.755 4.977 630 HD22 LEU 80 2HD2 LEU 80 -9.070 -4.275 5.563 631 HD23 LEU 80 3HD2 LEU 80 -8.362 -5.417 6.707 632 H ILE 81 H ILE 81 -6.824 -0.373 3.467 633 HA ILE 81 HA ILE 81 -9.047 1.159 4.201 634 HB ILE 81 HB ILE 81 -6.765 1.964 2.391 635 HG12 ILE 81 1HG1 ILE 81 -6.952 2.668 5.294 636 HG13 ILE 81 2HG1 ILE 81 -6.381 1.065 4.841 637 HG21 ILE 81 1HG2 ILE 81 -7.320 4.260 3.229 638 HG22 ILE 81 2HG2 ILE 81 -8.529 3.547 2.162 639 HG23 ILE 81 3HG2 ILE 81 -8.802 3.585 3.904 640 HD11 ILE 81 1HD1 ILE 81 -4.712 2.271 3.346 641 HD12 ILE 81 2HD1 ILE 81 -5.151 3.727 4.240 642 HD13 ILE 81 3HD1 ILE 81 -4.452 2.348 5.088 643 H SER 82 H SER 82 -7.731 0.665 0.919 644 HA SER 82 HA SER 82 -9.682 1.920 -0.540 645 HB2 SER 82 1HB SER 82 -7.955 1.199 -1.881 646 HB3 SER 82 2HB SER 82 -7.860 -0.376 -1.093 647 HG SER 82 HG SER 82 -9.541 0.494 -3.152 648 H ALA 83 H ALA 83 -9.644 -1.552 0.276 649 HA ALA 83 HA ALA 83 -12.018 -2.356 -0.796 650 HB1 ALA 83 1HB ALA 83 -11.612 -3.392 1.914 651 HB2 ALA 83 2HB ALA 83 -11.708 -4.245 0.374 652 HB3 ALA 83 3HB ALA 83 -10.193 -3.492 0.873 653 H GLU 84 H GLU 84 -11.627 -1.061 2.507 654 HA GLU 84 HA GLU 84 -14.249 -1.076 3.318 655 HB2 GLU 84 1HB GLU 84 -11.908 0.656 3.953 656 HB3 GLU 84 2HB GLU 84 -13.491 1.172 4.521 657 HG2 GLU 84 1HG GLU 84 -12.531 -1.609 5.043 658 HG3 GLU 84 2HG GLU 84 -11.994 -0.267 6.053 659 H GLN 85 H GLN 85 -12.595 1.401 1.398 660 HA GLN 85 HA GLN 85 -14.666 3.267 1.274 661 HB2 GLN 85 1HB GLN 85 -12.623 2.657 -0.870 662 HB3 GLN 85 2HB GLN 85 -13.547 4.145 -0.709 663 HG2 GLN 85 1HG GLN 85 -11.495 3.107 1.232 664 HG3 GLN 85 2HG GLN 85 -11.284 4.439 0.098 665 HE21 GLN 85 1HE2 GLN 85 -10.860 4.731 2.811 666 HE22 GLN 85 2HE2 GLN 85 -12.067 5.780 3.464 667 H ASP 86 H ASP 86 -13.929 0.537 -0.870 668 HA ASP 86 HA ASP 86 -15.819 0.916 -2.832 669 HB2 ASP 86 1HB ASP 86 -14.070 -0.907 -2.715 670 HB3 ASP 86 2HB ASP 86 -15.161 -1.783 -1.647 671 H LYS 87 H LYS 87 -16.254 -0.372 0.410 672 HA LYS 87 HA LYS 87 -19.090 -0.859 -0.099 673 HB2 LYS 87 1HB LYS 87 -17.417 -2.384 1.258 674 HB3 LYS 87 2HB LYS 87 -17.817 -1.284 2.572 675 HG2 LYS 87 1HG LYS 87 -19.390 -2.891 2.910 676 HG3 LYS 87 2HG LYS 87 -20.283 -1.823 1.824 677 HD2 LYS 87 1HD LYS 87 -19.724 -3.228 -0.068 678 HD3 LYS 87 2HD LYS 87 -18.720 -4.256 0.957 679 HE2 LYS 87 1HE LYS 87 -21.642 -3.827 1.507 680 HE3 LYS 87 2HE LYS 87 -21.078 -5.075 0.396 681 HZ1 LYS 87 1HZ LYS 87 -19.539 -5.452 2.596 682 HZ2 LYS 87 2HZ LYS 87 -20.924 -6.342 2.205 683 HZ3 LYS 87 3HZ LYS 87 -21.035 -5.029 3.266 684 H ARG 88 H ARG 88 -18.005 1.851 -0.052 685 HA ARG 88 HA ARG 88 -18.674 3.102 2.415 686 HB2 ARG 88 1HB ARG 88 -18.449 5.198 1.197 687 HB3 ARG 88 2HB ARG 88 -17.127 4.113 0.790 688 HG2 ARG 88 1HG ARG 88 -18.153 3.569 -1.316 689 HG3 ARG 88 2HG ARG 88 -19.587 4.510 -0.899 690 HD2 ARG 88 1HD ARG 88 -18.483 6.046 -2.174 691 HD3 ARG 88 2HD ARG 88 -17.799 6.431 -0.596 692 HE ARG 88 HE ARG 88 -15.771 5.844 -1.436 693 HH11 ARG 88 1HH1 ARG 88 -18.226 4.147 -3.230 694 HH12 ARG 88 2HH1 ARG 88 -17.101 3.397 -4.312 695 HH21 ARG 88 1HH2 ARG 88 -14.279 4.861 -2.855 696 HH22 ARG 88 2HH2 ARG 88 -14.856 3.803 -4.097 697 H SER 89 H SER 89 -20.402 2.588 -0.626 698 HA SER 89 HA SER 89 -22.850 3.584 0.677 699 HB2 SER 89 1HB SER 89 -22.156 4.938 -1.270 700 HB3 SER 89 2HB SER 89 -22.219 3.496 -2.284 701 HG SER 89 HG SER 89 -24.473 4.267 -0.791 702 H GLY 90 H GLY 90 -23.390 1.578 1.586 703 HA2 GLY 90 1HA GLY 90 -23.418 -0.890 0.313 704 HA3 GLY 90 2HA GLY 90 -24.494 -0.435 1.626 705 HA PRO 91 HA PRO 91 -26.743 -0.990 -2.536 706 HB2 PRO 91 1HB PRO 91 -27.874 -3.412 -2.059 707 HB3 PRO 91 2HB PRO 91 -26.301 -3.224 -2.842 708 HG2 PRO 91 1HG PRO 91 -26.929 -3.874 0.011 709 HG3 PRO 91 2HG PRO 91 -25.703 -4.585 -1.055 710 HD2 PRO 91 1HD PRO 91 -25.106 -2.710 0.806 711 HD3 PRO 91 2HD PRO 91 -24.232 -2.840 -0.734 712 H SER 92 H SER 92 -27.315 -0.784 0.751 713 HA SER 92 HA SER 92 -29.896 -1.295 1.304 714 HB2 SER 92 1HB SER 92 -28.564 1.344 1.956 715 HB3 SER 92 2HB SER 92 -29.906 0.602 2.828 716 HG SER 92 HG SER 92 -28.343 -0.213 3.986 717 H SER 93 H SER 93 -28.873 1.798 -0.152 718 HA SER 93 HA SER 93 -31.614 2.325 -0.974 719 HB2 SER 93 1HB SER 93 -29.100 3.989 -1.260 720 HB3 SER 93 2HB SER 93 -30.723 4.521 -1.703 721 HG SER 93 HG SER 93 -31.304 4.170 0.519 722 H GLY 94 H GLY 94 -32.030 0.878 -2.621 723 HA2 GLY 94 1HA GLY 94 -32.204 0.932 -5.049 724 HA3 GLY 94 2HA GLY 94 -30.499 1.354 -5.100 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -10.422 -14.021 20.911 2 HA2 GLY 1 1HA GLY 1 -10.035 -16.333 20.436 3 HA3 GLY 1 2HA GLY 1 -11.391 -16.295 19.318 4 H SER 2 H SER 2 -8.271 -16.800 19.300 5 HA SER 2 HA SER 2 -7.914 -16.232 16.563 6 HB2 SER 2 1HB SER 2 -6.341 -14.436 16.587 7 HB3 SER 2 2HB SER 2 -7.714 -13.904 17.556 8 HG SER 2 HG SER 2 -6.168 -15.060 19.263 9 H SER 3 H SER 3 -6.692 -17.872 15.941 10 HA SER 3 HA SER 3 -4.155 -18.421 17.151 11 HB2 SER 3 1HB SER 3 -4.632 -20.734 17.828 12 HB3 SER 3 2HB SER 3 -5.624 -19.595 18.739 13 HG SER 3 HG SER 3 -7.211 -20.798 18.069 14 H GLY 4 H GLY 4 -3.070 -20.313 16.068 15 HA2 GLY 4 1HA GLY 4 -2.802 -21.745 14.209 16 HA3 GLY 4 2HA GLY 4 -4.192 -20.983 13.451 17 H SER 5 H SER 5 -0.762 -20.765 14.049 18 HA SER 5 HA SER 5 -0.508 -18.996 11.744 19 HB2 SER 5 1HB SER 5 0.511 -18.347 14.509 20 HB3 SER 5 2HB SER 5 1.189 -17.610 13.058 21 HG SER 5 HG SER 5 -1.583 -17.562 13.378 22 H SER 6 H SER 6 0.691 -20.241 10.455 23 HA SER 6 HA SER 6 3.046 -21.584 11.609 24 HB2 SER 6 1HB SER 6 1.112 -22.378 9.482 25 HB3 SER 6 2HB SER 6 2.791 -22.884 9.293 26 HG SER 6 HG SER 6 2.648 -23.845 11.366 27 H GLY 7 H GLY 7 4.983 -21.647 10.326 28 HA2 GLY 7 1HA GLY 7 5.765 -20.730 8.011 29 HA3 GLY 7 2HA GLY 7 5.291 -19.200 8.735 30 H ASP 8 H ASP 8 7.870 -19.629 7.849 31 HA ASP 8 HA ASP 8 9.337 -19.190 10.299 32 HB2 ASP 8 1HB ASP 8 10.124 -21.451 8.447 33 HB3 ASP 8 2HB ASP 8 11.059 -20.882 9.827 34 H ILE 9 H ILE 9 10.899 -17.715 10.007 35 HA ILE 9 HA ILE 9 11.224 -16.539 7.406 36 HB ILE 9 HB ILE 9 12.689 -15.899 9.968 37 HG12 ILE 9 1HG1 ILE 9 10.471 -14.221 8.883 38 HG13 ILE 9 2HG1 ILE 9 10.052 -15.698 9.744 39 HG21 ILE 9 1HG2 ILE 9 12.323 -13.735 8.086 40 HG22 ILE 9 2HG2 ILE 9 13.796 -14.323 8.855 41 HG23 ILE 9 3HG2 ILE 9 13.216 -15.077 7.371 42 HD11 ILE 9 1HD1 ILE 9 11.520 -14.836 11.622 43 HD12 ILE 9 2HD1 ILE 9 11.506 -13.290 10.774 44 HD13 ILE 9 3HD1 ILE 9 9.995 -13.995 11.346 45 H VAL 10 H VAL 10 12.816 -16.845 5.977 46 HA VAL 10 HA VAL 10 14.618 -18.994 6.225 47 HB VAL 10 HB VAL 10 15.621 -18.199 4.142 48 HG11 VAL 10 1HG1 VAL 10 13.308 -17.877 2.890 49 HG12 VAL 10 2HG1 VAL 10 13.786 -19.430 3.580 50 HG13 VAL 10 3HG1 VAL 10 12.673 -18.378 4.458 51 HG21 VAL 10 1HG2 VAL 10 14.296 -16.086 3.200 52 HG22 VAL 10 2HG2 VAL 10 14.251 -15.688 4.917 53 HG23 VAL 10 3HG2 VAL 10 15.799 -15.932 4.109 54 H ALA 11 H ALA 11 16.891 -19.011 6.389 55 HA ALA 11 HA ALA 11 17.967 -16.736 7.906 56 HB1 ALA 11 1HB ALA 11 19.562 -19.191 7.834 57 HB2 ALA 11 2HB ALA 11 19.075 -18.190 9.203 58 HB3 ALA 11 3HB ALA 11 17.958 -19.386 8.543 59 H ARG 12 H ARG 12 17.829 -16.347 5.186 60 HA ARG 12 HA ARG 12 20.668 -16.211 4.508 61 HB2 ARG 12 1HB ARG 12 18.560 -17.273 2.616 62 HB3 ARG 12 2HB ARG 12 20.240 -16.957 2.203 63 HG2 ARG 12 1HG ARG 12 19.659 -18.806 4.457 64 HG3 ARG 12 2HG ARG 12 19.410 -19.373 2.804 65 HD2 ARG 12 1HD ARG 12 21.750 -18.611 2.299 66 HD3 ARG 12 2HD ARG 12 21.956 -18.326 4.027 67 HE ARG 12 HE ARG 12 21.092 -20.907 3.866 68 HH11 ARG 12 1HH1 ARG 12 23.727 -19.109 2.471 69 HH12 ARG 12 2HH1 ARG 12 24.786 -20.477 2.384 70 HH21 ARG 12 1HH2 ARG 12 22.477 -22.716 3.756 71 HH22 ARG 12 2HH2 ARG 12 24.074 -22.528 3.113 72 H LEU 13 H LEU 13 21.110 -14.674 2.753 73 HA LEU 13 HA LEU 13 19.432 -12.336 3.030 74 HB2 LEU 13 1HB LEU 13 21.940 -12.709 1.400 75 HB3 LEU 13 2HB LEU 13 21.174 -11.175 1.811 76 HG LEU 13 HG LEU 13 21.637 -11.837 4.256 77 HD11 LEU 13 1HD1 LEU 13 23.279 -13.839 2.753 78 HD12 LEU 13 2HD1 LEU 13 22.252 -14.074 4.167 79 HD13 LEU 13 3HD1 LEU 13 23.797 -13.238 4.328 80 HD21 LEU 13 1HD2 LEU 13 23.962 -11.214 2.439 81 HD22 LEU 13 2HD2 LEU 13 23.843 -10.854 4.160 82 HD23 LEU 13 3HD2 LEU 13 22.779 -10.038 3.013 83 H GLN 14 H GLN 14 17.619 -12.336 1.848 84 HA GLN 14 HA GLN 14 17.733 -13.274 -0.929 85 HB2 GLN 14 1HB GLN 14 15.354 -13.475 -0.851 86 HB3 GLN 14 2HB GLN 14 15.989 -14.194 0.622 87 HG2 GLN 14 1HG GLN 14 15.521 -11.961 1.733 88 HG3 GLN 14 2HG GLN 14 14.593 -11.562 0.288 89 HE21 GLN 14 1HE2 GLN 14 12.519 -11.744 0.713 90 HE22 GLN 14 2HE2 GLN 14 11.766 -13.028 1.593 91 H THR 15 H THR 15 17.387 -11.951 -2.632 92 HA THR 15 HA THR 15 17.917 -9.262 -2.529 93 HB THR 15 HB THR 15 16.680 -9.119 -4.760 94 HG1 THR 15 HG1 THR 15 16.521 -11.943 -4.435 95 HG21 THR 15 1HG2 THR 15 18.667 -11.375 -4.638 96 HG22 THR 15 2HG2 THR 15 19.137 -9.695 -4.380 97 HG23 THR 15 3HG2 THR 15 18.432 -10.188 -5.919 98 H GLN 16 H GLN 16 16.251 -7.573 -3.497 99 HA GLN 16 HA GLN 16 13.999 -7.542 -1.619 100 HB2 GLN 16 1HB GLN 16 15.279 -5.286 -3.170 101 HB3 GLN 16 2HB GLN 16 13.939 -5.109 -2.045 102 HG2 GLN 16 1HG GLN 16 16.560 -6.286 -1.195 103 HG3 GLN 16 2HG GLN 16 16.286 -4.545 -1.218 104 HE21 GLN 16 1HE2 GLN 16 14.616 -3.687 0.125 105 HE22 GLN 16 2HE2 GLN 16 14.138 -4.518 1.561 106 H ALA 17 H ALA 17 11.962 -7.693 -2.307 107 HA ALA 17 HA ALA 17 11.477 -7.832 -5.183 108 HB1 ALA 17 1HB ALA 17 9.907 -9.351 -4.722 109 HB2 ALA 17 2HB ALA 17 10.591 -9.379 -3.096 110 HB3 ALA 17 3HB ALA 17 9.198 -8.358 -3.448 111 H SER 18 H SER 18 9.292 -6.954 -5.911 112 HA SER 18 HA SER 18 8.452 -4.542 -4.517 113 HB2 SER 18 1HB SER 18 8.617 -3.349 -6.854 114 HB3 SER 18 2HB SER 18 10.033 -3.436 -5.807 115 HG SER 18 HG SER 18 10.629 -5.343 -7.017 116 H ALA 19 H ALA 19 6.313 -4.554 -4.491 117 HA ALA 19 HA ALA 19 4.882 -5.814 -6.741 118 HB1 ALA 19 1HB ALA 19 4.558 -7.112 -4.756 119 HB2 ALA 19 2HB ALA 19 4.129 -5.676 -3.827 120 HB3 ALA 19 3HB ALA 19 3.057 -6.253 -5.102 121 H THR 20 H THR 20 2.491 -4.992 -6.764 122 HA THR 20 HA THR 20 2.375 -2.107 -6.256 123 HB THR 20 HB THR 20 1.155 -2.005 -8.579 124 HG1 THR 20 HG1 THR 20 2.939 -4.208 -8.912 125 HG21 THR 20 1HG2 THR 20 3.971 -1.741 -7.803 126 HG22 THR 20 2HG2 THR 20 2.921 -0.613 -8.663 127 HG23 THR 20 3HG2 THR 20 3.711 -1.925 -9.538 128 H VAL 21 H VAL 21 0.238 -1.240 -6.177 129 HA VAL 21 HA VAL 21 -1.893 -3.259 -5.934 130 HB VAL 21 HB VAL 21 -1.259 -2.676 -3.686 131 HG11 VAL 21 1HG1 VAL 21 -0.332 -0.376 -4.557 132 HG12 VAL 21 2HG1 VAL 21 -1.928 0.201 -4.073 133 HG13 VAL 21 3HG1 VAL 21 -0.868 -0.563 -2.888 134 HG21 VAL 21 1HG2 VAL 21 -3.492 -1.150 -3.247 135 HG22 VAL 21 2HG2 VAL 21 -3.850 -1.908 -4.798 136 HG23 VAL 21 3HG2 VAL 21 -3.468 -2.908 -3.396 137 H ALA 22 H ALA 22 -3.262 -2.860 -7.545 138 HA ALA 22 HA ALA 22 -3.566 -0.329 -8.791 139 HB1 ALA 22 1HB ALA 22 -5.769 -1.680 -9.591 140 HB2 ALA 22 2HB ALA 22 -4.169 -1.873 -10.311 141 HB3 ALA 22 3HB ALA 22 -4.729 -3.012 -9.086 142 H ILE 23 H ILE 23 -4.527 1.368 -7.898 143 HA ILE 23 HA ILE 23 -7.110 0.996 -6.574 144 HB ILE 23 HB ILE 23 -6.324 2.812 -4.902 145 HG12 ILE 23 1HG1 ILE 23 -3.681 1.628 -5.778 146 HG13 ILE 23 2HG1 ILE 23 -4.180 3.309 -5.937 147 HG21 ILE 23 1HG2 ILE 23 -6.316 1.165 -3.387 148 HG22 ILE 23 2HG2 ILE 23 -6.583 0.096 -4.762 149 HG23 ILE 23 3HG2 ILE 23 -4.950 0.348 -4.146 150 HD11 ILE 23 1HD1 ILE 23 -2.710 2.232 -3.882 151 HD12 ILE 23 2HD1 ILE 23 -3.539 3.790 -3.867 152 HD13 ILE 23 3HD1 ILE 23 -4.331 2.362 -3.201 153 HA PRO 24 HA PRO 24 -8.330 4.559 -8.829 154 HB2 PRO 24 1HB PRO 24 -10.161 5.650 -7.148 155 HB3 PRO 24 2HB PRO 24 -10.461 4.169 -8.063 156 HG2 PRO 24 1HG PRO 24 -9.635 4.493 -5.205 157 HG3 PRO 24 2HG PRO 24 -10.837 3.393 -5.904 158 HD2 PRO 24 1HD PRO 24 -8.339 2.588 -5.235 159 HD3 PRO 24 2HD PRO 24 -9.238 1.883 -6.595 160 H LYS 25 H LYS 25 -7.928 6.738 -9.044 161 HA LYS 25 HA LYS 25 -5.877 7.873 -7.501 162 HB2 LYS 25 1HB LYS 25 -6.800 8.415 -9.924 163 HB3 LYS 25 2HB LYS 25 -7.729 9.628 -9.052 164 HG2 LYS 25 1HG LYS 25 -5.900 10.867 -9.552 165 HG3 LYS 25 2HG LYS 25 -5.349 10.175 -8.025 166 HD2 LYS 25 1HD LYS 25 -4.813 8.651 -10.521 167 HD3 LYS 25 2HD LYS 25 -3.858 10.105 -10.218 168 HE2 LYS 25 1HE LYS 25 -4.120 7.688 -8.434 169 HE3 LYS 25 2HE LYS 25 -2.690 8.203 -9.325 170 HZ1 LYS 25 1HZ LYS 25 -3.177 10.380 -7.884 171 HZ2 LYS 25 2HZ LYS 25 -2.172 9.127 -7.356 172 HZ3 LYS 25 3HZ LYS 25 -3.776 9.204 -6.825 173 H GLU 26 H GLU 26 -9.118 7.511 -6.768 174 HA GLU 26 HA GLU 26 -9.322 9.931 -5.162 175 HB2 GLU 26 1HB GLU 26 -11.588 9.504 -4.984 176 HB3 GLU 26 2HB GLU 26 -11.219 8.803 -6.553 177 HG2 GLU 26 1HG GLU 26 -11.065 6.587 -5.509 178 HG3 GLU 26 2HG GLU 26 -11.491 7.306 -3.957 179 H HIS 27 H HIS 27 -8.215 6.766 -4.817 180 HA HIS 27 HA HIS 27 -8.675 6.761 -1.917 181 HB2 HIS 27 1HB HIS 27 -7.958 4.588 -3.875 182 HB3 HIS 27 2HB HIS 27 -7.778 4.363 -2.138 183 HD1 HIS 27 HD1 HIS 27 -9.708 2.564 -3.612 184 HD2 HIS 27 HD2 HIS 27 -10.826 6.195 -1.929 185 HE1 HIS 27 HE1 HIS 27 -12.190 2.397 -3.239 186 H HIS 28 H HIS 28 -6.277 7.266 -4.296 187 HA HIS 28 HA HIS 28 -3.937 6.468 -3.042 188 HB2 HIS 28 1HB HIS 28 -4.579 8.687 -4.957 189 HB3 HIS 28 2HB HIS 28 -2.955 8.538 -4.293 190 HD2 HIS 28 HD2 HIS 28 -4.943 5.340 -5.349 191 HE1 HIS 28 HE1 HIS 28 -1.740 5.920 -8.070 192 HE2 HIS 28 HE2 HIS 28 -3.649 4.423 -7.393 193 H ARG 29 H ARG 29 -5.693 9.538 -2.722 194 HA ARG 29 HA ARG 29 -3.913 10.841 -1.018 195 HB2 ARG 29 1HB ARG 29 -5.889 12.180 -0.301 196 HB3 ARG 29 2HB ARG 29 -5.720 12.050 -2.047 197 HG2 ARG 29 1HG ARG 29 -7.370 10.078 -1.833 198 HG3 ARG 29 2HG ARG 29 -7.731 10.765 -0.248 199 HD2 ARG 29 1HD ARG 29 -7.870 12.287 -2.846 200 HD3 ARG 29 2HD ARG 29 -9.256 11.541 -2.050 201 HE ARG 29 HE ARG 29 -8.067 14.029 -1.398 202 HH11 ARG 29 1HH1 ARG 29 -9.568 11.235 0.037 203 HH12 ARG 29 2HH1 ARG 29 -10.140 12.094 1.428 204 HH21 ARG 29 1HH2 ARG 29 -8.816 15.172 0.430 205 HH22 ARG 29 2HH2 ARG 29 -9.712 14.333 1.650 206 H PHE 30 H PHE 30 -6.604 8.664 -0.268 207 HA PHE 30 HA PHE 30 -6.596 8.900 2.502 208 HB2 PHE 30 1HB PHE 30 -7.364 6.681 0.632 209 HB3 PHE 30 2HB PHE 30 -7.415 6.429 2.373 210 HD1 PHE 30 HD2 PHE 30 -8.829 8.349 -0.424 211 HD2 PHE 30 HD1 PHE 30 -9.113 7.411 3.718 212 HE1 PHE 30 HE2 PHE 30 -11.052 9.399 -0.342 213 HE2 PHE 30 HE1 PHE 30 -11.338 8.459 3.806 214 HZ PHE 30 HZ PHE 30 -12.310 9.456 1.776 215 H VAL 31 H VAL 31 -4.189 7.670 0.479 216 HA VAL 31 HA VAL 31 -3.029 5.973 2.565 217 HB VAL 31 HB VAL 31 -2.043 6.418 -0.255 218 HG11 VAL 31 1HG1 VAL 31 -0.571 5.503 1.752 219 HG12 VAL 31 2HG1 VAL 31 -1.397 3.999 1.338 220 HG13 VAL 31 3HG1 VAL 31 -0.440 4.845 0.121 221 HG21 VAL 31 1HG2 VAL 31 -3.199 4.519 -0.951 222 HG22 VAL 31 2HG2 VAL 31 -3.478 3.966 0.700 223 HG23 VAL 31 3HG2 VAL 31 -4.368 5.353 0.073 224 H ILE 32 H ILE 32 -2.480 8.960 0.815 225 HA ILE 32 HA ILE 32 0.170 9.379 1.806 226 HB ILE 32 HB ILE 32 -1.765 11.379 0.630 227 HG12 ILE 32 1HG1 ILE 32 0.545 10.034 -0.764 228 HG13 ILE 32 2HG1 ILE 32 -1.080 9.357 -0.787 229 HG21 ILE 32 1HG2 ILE 32 -0.070 12.535 1.850 230 HG22 ILE 32 2HG2 ILE 32 1.194 11.518 1.162 231 HG23 ILE 32 3HG2 ILE 32 0.325 12.657 0.135 232 HD11 ILE 32 1HD1 ILE 32 -1.080 12.151 -1.519 233 HD12 ILE 32 2HD1 ILE 32 -0.026 11.193 -2.559 234 HD13 ILE 32 3HD1 ILE 32 -1.725 10.754 -2.379 235 H GLY 33 H GLY 33 -3.060 10.447 2.756 236 HA2 GLY 33 1HA GLY 33 -3.441 10.704 5.167 237 HA3 GLY 33 2HA GLY 33 -1.870 11.487 5.252 238 H LYS 34 H LYS 34 -3.987 12.757 6.350 239 HA LYS 34 HA LYS 34 -5.464 14.458 4.696 240 HB2 LYS 34 1HB LYS 34 -4.501 14.867 7.532 241 HB3 LYS 34 2HB LYS 34 -5.684 15.893 6.732 242 HG2 LYS 34 1HG LYS 34 -6.084 12.935 7.034 243 HG3 LYS 34 2HG LYS 34 -6.570 14.089 8.277 244 HD2 LYS 34 1HD LYS 34 -7.460 14.295 5.408 245 HD3 LYS 34 2HD LYS 34 -8.366 13.407 6.634 246 HE2 LYS 34 1HE LYS 34 -8.327 15.553 7.995 247 HE3 LYS 34 2HE LYS 34 -7.759 16.351 6.530 248 HZ1 LYS 34 1HZ LYS 34 -10.194 16.464 6.863 249 HZ2 LYS 34 2HZ LYS 34 -10.273 14.784 6.693 250 HZ3 LYS 34 3HZ LYS 34 -9.751 15.742 5.400 251 H ASN 35 H ASN 35 -2.365 15.027 6.347 252 HA ASN 35 HA ASN 35 -1.959 17.366 4.605 253 HB2 ASN 35 1HB ASN 35 -0.473 16.803 7.170 254 HB3 ASN 35 2HB ASN 35 -0.566 18.321 6.282 255 HD21 ASN 35 1HD2 ASN 35 -2.149 16.194 8.496 256 HD22 ASN 35 2HD2 ASN 35 -3.428 17.267 8.940 257 H GLY 36 H GLY 36 -0.824 14.238 5.430 258 HA2 GLY 36 1HA GLY 36 0.596 13.268 3.612 259 HA3 GLY 36 2HA GLY 36 1.609 14.690 3.813 260 H GLU 37 H GLU 37 0.109 12.505 6.188 261 HA GLU 37 HA GLU 37 2.815 11.935 7.210 262 HB2 GLU 37 1HB GLU 37 0.416 11.844 8.997 263 HB3 GLU 37 2HB GLU 37 2.103 12.119 9.410 264 HG2 GLU 37 1HG GLU 37 1.737 14.306 7.987 265 HG3 GLU 37 2HG GLU 37 0.052 14.025 8.422 266 H LYS 38 H LYS 38 -0.238 10.704 6.204 267 HA LYS 38 HA LYS 38 -0.169 8.161 7.408 268 HB2 LYS 38 1HB LYS 38 -2.121 9.280 6.211 269 HB3 LYS 38 2HB LYS 38 -1.368 8.765 4.708 270 HG2 LYS 38 1HG LYS 38 -3.041 7.174 5.268 271 HG3 LYS 38 2HG LYS 38 -1.470 6.418 5.546 272 HD2 LYS 38 1HD LYS 38 -1.677 6.957 7.950 273 HD3 LYS 38 2HD LYS 38 -3.282 7.621 7.640 274 HE2 LYS 38 1HE LYS 38 -4.164 5.518 7.090 275 HE3 LYS 38 2HE LYS 38 -2.565 4.809 6.873 276 HZ1 LYS 38 1HZ LYS 38 -2.781 5.784 9.497 277 HZ2 LYS 38 2HZ LYS 38 -2.578 4.186 8.981 278 HZ3 LYS 38 3HZ LYS 38 -4.135 4.821 9.175 279 H LEU 39 H LEU 39 1.371 9.458 4.551 280 HA LEU 39 HA LEU 39 2.215 6.874 3.581 281 HB2 LEU 39 1HB LEU 39 1.930 8.342 1.835 282 HB3 LEU 39 2HB LEU 39 2.586 9.706 2.737 283 HG LEU 39 HG LEU 39 4.853 8.557 2.497 284 HD11 LEU 39 1HD1 LEU 39 3.172 6.902 0.653 285 HD12 LEU 39 2HD1 LEU 39 4.372 6.383 1.836 286 HD13 LEU 39 3HD1 LEU 39 4.889 7.158 0.337 287 HD21 LEU 39 1HD2 LEU 39 4.752 9.222 -0.107 288 HD22 LEU 39 2HD2 LEU 39 4.829 10.404 1.201 289 HD23 LEU 39 3HD2 LEU 39 3.276 9.999 0.466 290 H GLN 40 H GLN 40 3.726 9.653 5.183 291 HA GLN 40 HA GLN 40 6.350 8.634 5.210 292 HB2 GLN 40 1HB GLN 40 6.895 10.466 6.486 293 HB3 GLN 40 2HB GLN 40 5.389 11.022 5.771 294 HG2 GLN 40 1HG GLN 40 4.180 10.454 7.782 295 HG3 GLN 40 2HG GLN 40 5.642 9.783 8.501 296 HE21 GLN 40 1HE2 GLN 40 5.776 11.146 10.216 297 HE22 GLN 40 2HE2 GLN 40 6.074 12.842 10.075 298 H ASP 41 H ASP 41 3.632 8.241 7.402 299 HA ASP 41 HA ASP 41 5.134 6.928 9.450 300 HB2 ASP 41 1HB ASP 41 2.810 8.142 9.569 301 HB3 ASP 41 2HB ASP 41 2.178 6.560 9.124 302 H LEU 42 H LEU 42 3.237 5.884 6.679 303 HA LEU 42 HA LEU 42 3.210 3.122 7.326 304 HB2 LEU 42 1HB LEU 42 2.617 4.768 4.932 305 HB3 LEU 42 2HB LEU 42 2.928 3.052 4.679 306 HG LEU 42 HG LEU 42 0.814 4.123 6.543 307 HD11 LEU 42 1HD1 LEU 42 -0.799 3.593 4.824 308 HD12 LEU 42 2HD1 LEU 42 0.488 3.073 3.737 309 HD13 LEU 42 3HD1 LEU 42 0.366 4.767 4.209 310 HD21 LEU 42 1HD2 LEU 42 1.920 1.709 6.641 311 HD22 LEU 42 2HD2 LEU 42 0.757 1.407 5.350 312 HD23 LEU 42 3HD2 LEU 42 0.199 1.968 6.928 313 H GLU 43 H GLU 43 5.188 4.994 5.025 314 HA GLU 43 HA GLU 43 6.812 2.973 4.091 315 HB2 GLU 43 1HB GLU 43 7.191 5.909 4.474 316 HB3 GLU 43 2HB GLU 43 8.588 4.935 4.042 317 HG2 GLU 43 1HG GLU 43 7.273 4.074 2.094 318 HG3 GLU 43 2HG GLU 43 6.039 5.269 2.486 319 H LEU 44 H LEU 44 6.944 4.662 7.150 320 HA LEU 44 HA LEU 44 9.511 3.581 7.888 321 HB2 LEU 44 1HB LEU 44 7.427 5.225 9.264 322 HB3 LEU 44 2HB LEU 44 8.726 4.482 10.195 323 HG LEU 44 HG LEU 44 9.001 6.541 8.009 324 HD11 LEU 44 1HD1 LEU 44 10.115 6.913 10.719 325 HD12 LEU 44 2HD1 LEU 44 8.359 6.979 10.571 326 HD13 LEU 44 3HD1 LEU 44 9.365 8.076 9.625 327 HD21 LEU 44 1HD2 LEU 44 11.461 6.399 8.924 328 HD22 LEU 44 2HD2 LEU 44 10.905 5.320 7.644 329 HD23 LEU 44 3HD2 LEU 44 10.989 4.744 9.310 330 H LYS 45 H LYS 45 6.261 3.232 9.326 331 HA LYS 45 HA LYS 45 6.740 1.159 11.040 332 HB2 LYS 45 1HB LYS 45 4.576 2.408 10.735 333 HB3 LYS 45 2HB LYS 45 4.250 1.382 9.344 334 HG2 LYS 45 1HG LYS 45 3.999 -0.527 10.659 335 HG3 LYS 45 2HG LYS 45 4.812 0.208 12.043 336 HD2 LYS 45 1HD LYS 45 2.505 0.184 12.570 337 HD3 LYS 45 2HD LYS 45 2.889 1.851 12.132 338 HE2 LYS 45 1HE LYS 45 1.990 1.487 9.901 339 HE3 LYS 45 2HE LYS 45 1.656 -0.198 10.292 340 HZ1 LYS 45 1HZ LYS 45 0.491 1.606 12.177 341 HZ2 LYS 45 2HZ LYS 45 -0.232 0.358 11.294 342 HZ3 LYS 45 3HZ LYS 45 -0.062 1.894 10.605 343 H THR 46 H THR 46 6.403 1.021 7.563 344 HA THR 46 HA THR 46 6.613 -1.907 7.626 345 HB THR 46 HB THR 46 5.828 -1.964 5.400 346 HG1 THR 46 HG1 THR 46 6.174 0.866 5.297 347 HG21 THR 46 1HG2 THR 46 4.408 0.135 7.021 348 HG22 THR 46 2HG2 THR 46 3.974 -1.559 6.792 349 HG23 THR 46 3HG2 THR 46 3.794 -0.415 5.463 350 H ALA 47 H ALA 47 8.396 0.948 6.951 351 HA ALA 47 HA ALA 47 10.541 1.318 6.287 352 HB1 ALA 47 1HB ALA 47 11.982 -0.022 7.323 353 HB2 ALA 47 2HB ALA 47 10.603 -1.025 7.775 354 HB3 ALA 47 3HB ALA 47 11.527 -1.400 6.320 355 H THR 48 H THR 48 8.601 0.861 4.282 356 HA THR 48 HA THR 48 10.193 -0.493 2.203 357 HB THR 48 HB THR 48 8.088 -0.775 0.943 358 HG1 THR 48 HG1 THR 48 7.112 1.060 2.339 359 HG21 THR 48 1HG2 THR 48 8.899 -2.558 2.450 360 HG22 THR 48 2HG2 THR 48 7.141 -2.542 2.314 361 HG23 THR 48 3HG2 THR 48 7.921 -1.880 3.749 362 H LYS 49 H LYS 49 9.519 0.408 -0.069 363 HA LYS 49 HA LYS 49 9.728 3.341 0.086 364 HB2 LYS 49 1HB LYS 49 11.679 2.084 -0.880 365 HB3 LYS 49 2HB LYS 49 10.623 1.560 -2.184 366 HG2 LYS 49 1HG LYS 49 11.825 3.395 -3.024 367 HG3 LYS 49 2HG LYS 49 10.210 4.008 -2.660 368 HD2 LYS 49 1HD LYS 49 11.677 5.639 -1.821 369 HD3 LYS 49 2HD LYS 49 11.173 4.716 -0.404 370 HE2 LYS 49 1HE LYS 49 13.286 3.319 -0.809 371 HE3 LYS 49 2HE LYS 49 13.791 4.632 -1.871 372 HZ1 LYS 49 1HZ LYS 49 13.348 4.690 1.046 373 HZ2 LYS 49 2HZ LYS 49 13.309 6.114 0.136 374 HZ3 LYS 49 3HZ LYS 49 14.714 5.173 0.172 375 H ILE 50 H ILE 50 7.489 3.711 0.094 376 HA ILE 50 HA ILE 50 5.796 2.647 -1.966 377 HB ILE 50 HB ILE 50 5.278 4.890 -0.012 378 HG12 ILE 50 1HG1 ILE 50 4.288 2.041 0.114 379 HG13 ILE 50 2HG1 ILE 50 5.756 2.574 0.925 380 HG21 ILE 50 1HG2 ILE 50 3.883 4.363 -2.292 381 HG22 ILE 50 2HG2 ILE 50 3.012 3.394 -1.104 382 HG23 ILE 50 3HG2 ILE 50 3.214 5.128 -0.851 383 HD11 ILE 50 1HD1 ILE 50 4.457 3.034 2.662 384 HD12 ILE 50 2HD1 ILE 50 3.864 4.410 1.730 385 HD13 ILE 50 3HD1 ILE 50 2.986 2.881 1.701 386 H GLN 51 H GLN 51 5.172 3.562 -3.847 387 HA GLN 51 HA GLN 51 6.108 6.289 -4.429 388 HB2 GLN 51 1HB GLN 51 7.465 4.335 -5.468 389 HB3 GLN 51 2HB GLN 51 6.082 4.152 -6.538 390 HG2 GLN 51 1HG GLN 51 7.592 5.495 -7.709 391 HG3 GLN 51 2HG GLN 51 6.371 6.607 -7.093 392 HE21 GLN 51 1HE2 GLN 51 9.619 5.377 -6.593 393 HE22 GLN 51 2HE2 GLN 51 10.209 6.751 -5.728 394 H ILE 52 H ILE 52 4.397 7.531 -4.769 395 HA ILE 52 HA ILE 52 1.990 6.341 -5.967 396 HB ILE 52 HB ILE 52 2.313 8.872 -4.352 397 HG12 ILE 52 1HG1 ILE 52 0.757 6.361 -3.714 398 HG13 ILE 52 2HG1 ILE 52 2.392 6.666 -3.137 399 HG21 ILE 52 1HG2 ILE 52 0.613 9.398 -5.854 400 HG22 ILE 52 2HG2 ILE 52 -0.023 7.754 -5.857 401 HG23 ILE 52 3HG2 ILE 52 -0.256 8.786 -4.446 402 HD11 ILE 52 1HD1 ILE 52 0.060 7.338 -1.854 403 HD12 ILE 52 2HD1 ILE 52 1.666 7.975 -1.498 404 HD13 ILE 52 3HD1 ILE 52 0.584 8.862 -2.571 405 HA PRO 53 HA PRO 53 3.015 8.570 -9.676 406 HB2 PRO 53 1HB PRO 53 0.759 7.917 -11.038 407 HB3 PRO 53 2HB PRO 53 2.101 6.791 -10.807 408 HG2 PRO 53 1HG PRO 53 -0.480 6.992 -9.304 409 HG3 PRO 53 2HG PRO 53 0.367 5.546 -9.886 410 HD2 PRO 53 1HD PRO 53 0.492 6.372 -7.310 411 HD3 PRO 53 2HD PRO 53 1.842 5.545 -8.114 412 H ARG 54 H ARG 54 2.565 10.571 -10.460 413 HA ARG 54 HA ARG 54 1.145 12.425 -9.012 414 HB2 ARG 54 1HB ARG 54 2.061 12.332 -11.860 415 HB3 ARG 54 2HB ARG 54 1.051 13.667 -11.324 416 HG2 ARG 54 1HG ARG 54 2.693 14.190 -9.576 417 HG3 ARG 54 2HG ARG 54 3.713 12.875 -10.163 418 HD2 ARG 54 1HD ARG 54 2.806 15.076 -11.986 419 HD3 ARG 54 2HD ARG 54 4.219 15.275 -10.950 420 HE ARG 54 HE ARG 54 4.501 12.873 -12.342 421 HH11 ARG 54 1HH1 ARG 54 4.400 16.294 -12.982 422 HH12 ARG 54 2HH1 ARG 54 5.418 16.194 -14.381 423 HH21 ARG 54 1HH2 ARG 54 5.843 12.729 -14.182 424 HH22 ARG 54 2HH2 ARG 54 6.237 14.166 -15.062 425 HA PRO 55 HA PRO 55 -3.130 11.961 -9.885 426 HB2 PRO 55 1HB PRO 55 -3.967 14.541 -9.990 427 HB3 PRO 55 2HB PRO 55 -3.503 13.742 -8.482 428 HG2 PRO 55 1HG PRO 55 -1.915 15.602 -10.209 429 HG3 PRO 55 2HG PRO 55 -2.053 15.561 -8.442 430 HD2 PRO 55 1HD PRO 55 0.070 14.519 -9.761 431 HD3 PRO 55 2HD PRO 55 -0.536 13.839 -8.237 432 H ASP 56 H ASP 56 -1.088 13.619 -12.089 433 HA ASP 56 HA ASP 56 -3.176 13.835 -14.122 434 HB2 ASP 56 1HB ASP 56 -0.281 14.566 -14.507 435 HB3 ASP 56 2HB ASP 56 -1.695 15.192 -15.351 436 H ASP 57 H ASP 57 -0.481 11.859 -13.227 437 HA ASP 57 HA ASP 57 -0.033 10.646 -15.760 438 HB2 ASP 57 1HB ASP 57 1.442 10.681 -13.580 439 HB3 ASP 57 2HB ASP 57 0.547 9.214 -13.196 440 HA PRO 58 HA PRO 58 -3.485 7.918 -15.975 441 HB2 PRO 58 1HB PRO 58 -2.472 6.119 -17.739 442 HB3 PRO 58 2HB PRO 58 -3.002 7.737 -18.215 443 HG2 PRO 58 1HG PRO 58 -0.235 6.734 -17.671 444 HG3 PRO 58 2HG PRO 58 -0.805 7.789 -18.976 445 HD2 PRO 58 1HD PRO 58 0.449 8.744 -16.775 446 HD3 PRO 58 2HD PRO 58 -0.805 9.662 -17.633 447 H SER 59 H SER 59 -0.674 7.251 -14.389 448 HA SER 59 HA SER 59 -1.232 4.421 -13.934 449 HB2 SER 59 1HB SER 59 1.063 6.238 -13.242 450 HB3 SER 59 2HB SER 59 0.879 4.676 -12.444 451 HG SER 59 HG SER 59 1.504 3.713 -14.208 452 H ASN 60 H ASN 60 -2.649 3.903 -12.415 453 HA ASN 60 HA ASN 60 -2.848 5.617 -10.027 454 HB2 ASN 60 1HB ASN 60 -5.162 4.800 -9.797 455 HB3 ASN 60 2HB ASN 60 -4.909 5.605 -11.343 456 HD21 ASN 60 1HD2 ASN 60 -6.401 3.096 -9.974 457 HD22 ASN 60 2HD2 ASN 60 -6.433 1.985 -11.298 458 H GLN 61 H GLN 61 -1.107 3.211 -10.676 459 HA GLN 61 HA GLN 61 -1.980 1.461 -8.477 460 HB2 GLN 61 1HB GLN 61 -0.522 -0.257 -9.479 461 HB3 GLN 61 2HB GLN 61 -1.770 0.286 -10.593 462 HG2 GLN 61 1HG GLN 61 -0.014 1.859 -11.543 463 HG3 GLN 61 2HG GLN 61 1.160 0.917 -10.627 464 HE21 GLN 61 1HE2 GLN 61 0.122 -1.615 -10.911 465 HE22 GLN 61 2HE2 GLN 61 0.218 -2.092 -12.568 466 H ILE 62 H ILE 62 -0.907 1.631 -6.633 467 HA ILE 62 HA ILE 62 1.474 3.208 -6.423 468 HB ILE 62 HB ILE 62 -0.122 1.609 -4.439 469 HG12 ILE 62 1HG1 ILE 62 0.540 4.557 -4.550 470 HG13 ILE 62 2HG1 ILE 62 -0.915 3.853 -5.248 471 HG21 ILE 62 1HG2 ILE 62 1.413 2.596 -2.702 472 HG22 ILE 62 2HG2 ILE 62 2.099 1.299 -3.679 473 HG23 ILE 62 3HG2 ILE 62 2.523 2.977 -4.017 474 HD11 ILE 62 1HD1 ILE 62 -1.744 4.502 -3.245 475 HD12 ILE 62 2HD1 ILE 62 -1.169 2.898 -2.792 476 HD13 ILE 62 3HD1 ILE 62 -0.198 4.321 -2.418 477 H LYS 63 H LYS 63 3.519 2.515 -5.653 478 HA LYS 63 HA LYS 63 4.103 -0.314 -6.241 479 HB2 LYS 63 1HB LYS 63 5.120 1.269 -7.838 480 HB3 LYS 63 2HB LYS 63 5.937 2.077 -6.507 481 HG2 LYS 63 1HG LYS 63 7.006 -0.186 -6.015 482 HG3 LYS 63 2HG LYS 63 6.427 -0.667 -7.612 483 HD2 LYS 63 1HD LYS 63 7.588 1.613 -8.308 484 HD3 LYS 63 2HD LYS 63 8.537 1.289 -6.857 485 HE2 LYS 63 1HE LYS 63 8.938 -1.025 -7.801 486 HE3 LYS 63 2HE LYS 63 8.248 -0.430 -9.310 487 HZ1 LYS 63 1HZ LYS 63 10.553 0.856 -7.960 488 HZ2 LYS 63 2HZ LYS 63 9.977 1.154 -9.521 489 HZ3 LYS 63 3HZ LYS 63 10.722 -0.323 -9.162 490 H ILE 64 H ILE 64 5.039 -1.520 -4.704 491 HA ILE 64 HA ILE 64 6.136 -0.150 -2.339 492 HB ILE 64 HB ILE 64 5.286 -2.426 -1.213 493 HG12 ILE 64 1HG1 ILE 64 3.184 -1.804 -3.300 494 HG13 ILE 64 2HG1 ILE 64 4.259 -3.197 -3.346 495 HG21 ILE 64 1HG2 ILE 64 3.380 -0.136 -1.605 496 HG22 ILE 64 2HG2 ILE 64 3.583 -1.164 -0.187 497 HG23 ILE 64 3HG2 ILE 64 4.836 0.000 -0.619 498 HD11 ILE 64 1HD1 ILE 64 1.752 -3.033 -2.154 499 HD12 ILE 64 2HD1 ILE 64 2.922 -4.346 -2.011 500 HD13 ILE 64 3HD1 ILE 64 2.901 -3.048 -0.817 501 H THR 65 H THR 65 8.221 -0.587 -2.142 502 HA THR 65 HA THR 65 9.182 -3.260 -2.933 503 HB THR 65 HB THR 65 10.743 -0.674 -3.070 504 HG1 THR 65 HG1 THR 65 9.220 -0.742 -4.732 505 HG21 THR 65 1HG2 THR 65 12.503 -1.924 -4.041 506 HG22 THR 65 2HG2 THR 65 11.487 -3.355 -4.222 507 HG23 THR 65 3HG2 THR 65 12.000 -2.834 -2.617 508 H GLY 66 H GLY 66 10.724 -4.258 -1.629 509 HA2 GLY 66 1HA GLY 66 12.295 -3.421 0.356 510 HA3 GLY 66 2HA GLY 66 10.721 -3.335 1.132 511 H THR 67 H THR 67 11.159 -4.926 2.641 512 HA THR 67 HA THR 67 12.063 -7.538 1.804 513 HB THR 67 HB THR 67 11.893 -8.168 4.149 514 HG1 THR 67 HG1 THR 67 10.843 -5.562 4.624 515 HG21 THR 67 1HG2 THR 67 13.934 -7.129 3.794 516 HG22 THR 67 2HG2 THR 67 13.267 -6.175 5.120 517 HG23 THR 67 3HG2 THR 67 13.196 -5.560 3.469 518 H LYS 68 H LYS 68 10.881 -9.476 1.992 519 HA LYS 68 HA LYS 68 8.363 -9.549 0.933 520 HB2 LYS 68 1HB LYS 68 10.088 -11.453 1.515 521 HB3 LYS 68 2HB LYS 68 9.097 -11.625 2.957 522 HG2 LYS 68 1HG LYS 68 8.148 -13.153 1.521 523 HG3 LYS 68 2HG LYS 68 7.121 -11.736 1.286 524 HD2 LYS 68 1HD LYS 68 7.548 -12.405 -0.890 525 HD3 LYS 68 2HD LYS 68 8.782 -11.169 -0.629 526 HE2 LYS 68 1HE LYS 68 10.476 -12.774 -0.342 527 HE3 LYS 68 2HE LYS 68 9.315 -14.082 -0.123 528 HZ1 LYS 68 1HZ LYS 68 10.229 -14.267 -2.291 529 HZ2 LYS 68 2HZ LYS 68 9.936 -12.637 -2.638 530 HZ3 LYS 68 3HZ LYS 68 8.640 -13.713 -2.474 531 H GLU 69 H GLU 69 9.264 -9.073 4.276 532 HA GLU 69 HA GLU 69 6.553 -9.362 5.242 533 HB2 GLU 69 1HB GLU 69 9.059 -8.405 6.636 534 HB3 GLU 69 2HB GLU 69 7.514 -8.699 7.423 535 HG2 GLU 69 1HG GLU 69 8.988 -10.832 5.911 536 HG3 GLU 69 2HG GLU 69 9.256 -10.515 7.625 537 H GLY 70 H GLY 70 8.881 -6.724 4.768 538 HA2 GLY 70 1HA GLY 70 7.370 -4.622 5.784 539 HA3 GLY 70 2HA GLY 70 8.568 -4.465 4.508 540 H ILE 71 H ILE 71 7.640 -5.514 2.339 541 HA ILE 71 HA ILE 71 5.738 -3.778 1.347 542 HB ILE 71 HB ILE 71 6.320 -6.569 0.349 543 HG12 ILE 71 1HG1 ILE 71 7.490 -3.953 -0.603 544 HG13 ILE 71 2HG1 ILE 71 8.282 -4.985 0.582 545 HG21 ILE 71 1HG2 ILE 71 4.621 -4.386 -0.645 546 HG22 ILE 71 2HG2 ILE 71 5.685 -5.120 -1.843 547 HG23 ILE 71 3HG2 ILE 71 4.539 -6.121 -0.952 548 HD11 ILE 71 1HD1 ILE 71 7.477 -6.032 -2.102 549 HD12 ILE 71 2HD1 ILE 71 9.002 -5.179 -1.857 550 HD13 ILE 71 3HD1 ILE 71 8.673 -6.670 -0.974 551 H GLU 72 H GLU 72 5.268 -7.073 2.580 552 HA GLU 72 HA GLU 72 2.578 -7.392 2.009 553 HB2 GLU 72 1HB GLU 72 4.332 -8.442 4.206 554 HB3 GLU 72 2HB GLU 72 2.613 -8.816 4.189 555 HG2 GLU 72 1HG GLU 72 4.341 -9.329 1.799 556 HG3 GLU 72 2HG GLU 72 4.236 -10.484 3.126 557 H LYS 73 H LYS 73 4.063 -5.967 4.906 558 HA LYS 73 HA LYS 73 1.717 -5.415 6.312 559 HB2 LYS 73 1HB LYS 73 4.477 -4.266 6.322 560 HB3 LYS 73 2HB LYS 73 3.214 -3.450 7.233 561 HG2 LYS 73 1HG LYS 73 2.837 -5.383 8.581 562 HG3 LYS 73 2HG LYS 73 3.908 -6.357 7.572 563 HD2 LYS 73 1HD LYS 73 5.139 -5.781 9.519 564 HD3 LYS 73 2HD LYS 73 5.764 -4.776 8.208 565 HE2 LYS 73 1HE LYS 73 5.527 -3.347 10.075 566 HE3 LYS 73 2HE LYS 73 4.177 -2.978 9.003 567 HZ1 LYS 73 1HZ LYS 73 3.711 -5.003 11.045 568 HZ2 LYS 73 2HZ LYS 73 2.677 -3.800 10.457 569 HZ3 LYS 73 3HZ LYS 73 3.873 -3.408 11.588 570 H ALA 74 H ALA 74 3.543 -3.341 4.070 571 HA ALA 74 HA ALA 74 1.810 -1.125 4.225 572 HB1 ALA 74 1HB ALA 74 4.041 -1.974 2.511 573 HB2 ALA 74 2HB ALA 74 2.894 -0.866 1.757 574 HB3 ALA 74 3HB ALA 74 3.707 -0.408 3.254 575 H ARG 75 H ARG 75 1.826 -3.987 2.177 576 HA ARG 75 HA ARG 75 -0.204 -3.090 0.396 577 HB2 ARG 75 1HB ARG 75 1.550 -5.067 0.219 578 HB3 ARG 75 2HB ARG 75 0.229 -5.997 0.912 579 HG2 ARG 75 1HG ARG 75 -1.139 -4.827 -1.022 580 HG3 ARG 75 2HG ARG 75 0.463 -4.729 -1.758 581 HD2 ARG 75 1HD ARG 75 0.743 -7.120 -1.560 582 HD3 ARG 75 2HD ARG 75 -0.786 -7.258 -0.695 583 HE ARG 75 HE ARG 75 -1.244 -6.055 -3.192 584 HH11 ARG 75 1HH1 ARG 75 -0.364 -9.125 -1.807 585 HH12 ARG 75 2HH1 ARG 75 -1.053 -10.053 -3.098 586 HH21 ARG 75 1HH2 ARG 75 -2.155 -7.265 -4.898 587 HH22 ARG 75 2HH2 ARG 75 -2.071 -8.993 -4.856 588 H HIS 76 H HIS 76 -0.202 -4.971 3.379 589 HA HIS 76 HA HIS 76 -2.937 -5.707 3.294 590 HB2 HIS 76 1HB HIS 76 -1.126 -6.771 4.712 591 HB3 HIS 76 2HB HIS 76 -1.261 -5.380 5.784 592 HD1 HIS 76 HD1 HIS 76 -3.365 -8.243 4.473 593 HD2 HIS 76 HD2 HIS 76 -3.254 -5.559 7.640 594 HE1 HIS 76 HE1 HIS 76 -5.177 -8.989 6.050 595 H GLU 77 H GLU 77 -1.262 -2.837 4.290 596 HA GLU 77 HA GLU 77 -3.507 -1.771 5.767 597 HB2 GLU 77 1HB GLU 77 -0.851 -0.599 4.943 598 HB3 GLU 77 2HB GLU 77 -2.071 0.314 5.819 599 HG2 GLU 77 1HG GLU 77 -0.736 -2.207 6.779 600 HG3 GLU 77 2HG GLU 77 -0.358 -0.570 7.308 601 H VAL 78 H VAL 78 -1.879 -1.093 2.685 602 HA VAL 78 HA VAL 78 -3.577 1.018 1.895 603 HB VAL 78 HB VAL 78 -1.283 0.268 0.916 604 HG11 VAL 78 1HG1 VAL 78 -1.350 -1.127 -1.010 605 HG12 VAL 78 2HG1 VAL 78 -2.174 -1.996 0.287 606 HG13 VAL 78 3HG1 VAL 78 -3.112 -1.196 -0.976 607 HG21 VAL 78 1HG2 VAL 78 -2.334 2.248 0.141 608 HG22 VAL 78 2HG2 VAL 78 -1.913 1.312 -1.292 609 HG23 VAL 78 3HG2 VAL 78 -3.578 1.335 -0.713 610 H LEU 79 H LEU 79 -3.697 -2.470 1.352 611 HA LEU 79 HA LEU 79 -5.905 -2.408 -0.435 612 HB2 LEU 79 1HB LEU 79 -4.505 -4.508 1.150 613 HB3 LEU 79 2HB LEU 79 -6.077 -4.881 0.445 614 HG LEU 79 HG LEU 79 -3.727 -3.900 -1.167 615 HD11 LEU 79 1HD1 LEU 79 -3.662 -6.240 0.129 616 HD12 LEU 79 2HD1 LEU 79 -2.968 -6.005 -1.475 617 HD13 LEU 79 3HD1 LEU 79 -4.567 -6.728 -1.305 618 HD21 LEU 79 1HD2 LEU 79 -5.174 -3.820 -2.845 619 HD22 LEU 79 2HD2 LEU 79 -6.477 -4.245 -1.735 620 HD23 LEU 79 3HD2 LEU 79 -5.596 -5.513 -2.585 621 H LEU 80 H LEU 80 -5.587 -2.697 3.058 622 HA LEU 80 HA LEU 80 -8.263 -3.401 3.612 623 HB2 LEU 80 1HB LEU 80 -5.982 -2.298 5.160 624 HB3 LEU 80 2HB LEU 80 -7.591 -2.158 5.862 625 HG LEU 80 HG LEU 80 -6.341 -4.764 5.001 626 HD11 LEU 80 1HD1 LEU 80 -6.335 -5.020 7.607 627 HD12 LEU 80 2HD1 LEU 80 -6.244 -3.260 7.571 628 HD13 LEU 80 3HD1 LEU 80 -4.998 -4.224 6.778 629 HD21 LEU 80 1HD2 LEU 80 -8.518 -4.625 6.988 630 HD22 LEU 80 2HD2 LEU 80 -8.221 -5.799 5.705 631 HD23 LEU 80 3HD2 LEU 80 -8.957 -4.241 5.323 632 H ILE 81 H ILE 81 -6.612 -0.249 3.633 633 HA ILE 81 HA ILE 81 -8.833 1.302 4.346 634 HB ILE 81 HB ILE 81 -6.495 2.128 2.620 635 HG12 ILE 81 1HG1 ILE 81 -6.741 2.692 5.553 636 HG13 ILE 81 2HG1 ILE 81 -6.142 1.125 5.019 637 HG21 ILE 81 1HG2 ILE 81 -7.148 4.291 2.814 638 HG22 ILE 81 2HG2 ILE 81 -8.738 3.536 2.915 639 HG23 ILE 81 3HG2 ILE 81 -7.906 4.038 4.386 640 HD11 ILE 81 1HD1 ILE 81 -4.133 2.042 4.911 641 HD12 ILE 81 2HD1 ILE 81 -4.706 2.986 3.535 642 HD13 ILE 81 3HD1 ILE 81 -4.791 3.659 5.163 643 H SER 82 H SER 82 -7.435 0.822 1.096 644 HA SER 82 HA SER 82 -9.329 2.160 -0.383 645 HB2 SER 82 1HB SER 82 -8.668 0.730 -2.277 646 HB3 SER 82 2HB SER 82 -7.262 1.255 -1.351 647 HG SER 82 HG SER 82 -7.634 -0.870 -0.204 648 H ALA 83 H ALA 83 -9.388 -1.235 0.649 649 HA ALA 83 HA ALA 83 -11.748 -2.005 -0.621 650 HB1 ALA 83 1HB ALA 83 -10.339 -2.973 1.839 651 HB2 ALA 83 2HB ALA 83 -11.883 -3.669 1.346 652 HB3 ALA 83 3HB ALA 83 -10.495 -3.750 0.263 653 H GLU 84 H GLU 84 -11.296 -0.787 2.699 654 HA GLU 84 HA GLU 84 -13.888 -0.858 3.595 655 HB2 GLU 84 1HB GLU 84 -11.565 0.922 4.160 656 HB3 GLU 84 2HB GLU 84 -13.138 1.401 4.783 657 HG2 GLU 84 1HG GLU 84 -11.908 -1.295 5.282 658 HG3 GLU 84 2HG GLU 84 -11.709 0.087 6.359 659 H GLN 85 H GLN 85 -12.353 1.671 1.642 660 HA GLN 85 HA GLN 85 -14.491 3.472 1.591 661 HB2 GLN 85 1HB GLN 85 -12.463 2.977 -0.594 662 HB3 GLN 85 2HB GLN 85 -13.433 4.428 -0.384 663 HG2 GLN 85 1HG GLN 85 -11.312 3.417 1.497 664 HG3 GLN 85 2HG GLN 85 -11.169 4.783 0.390 665 HE21 GLN 85 1HE2 GLN 85 -10.793 4.850 3.207 666 HE22 GLN 85 2HE2 GLN 85 -11.988 5.910 3.866 667 H ASP 86 H ASP 86 -13.688 0.802 -0.601 668 HA ASP 86 HA ASP 86 -15.615 1.143 -2.534 669 HB2 ASP 86 1HB ASP 86 -13.772 -0.650 -2.344 670 HB3 ASP 86 2HB ASP 86 -14.962 -1.586 -1.445 671 H LYS 87 H LYS 87 -15.943 -0.584 0.554 672 HA LYS 87 HA LYS 87 -18.546 -1.491 0.278 673 HB2 LYS 87 1HB LYS 87 -17.089 -2.147 2.131 674 HB3 LYS 87 2HB LYS 87 -17.165 -0.517 2.786 675 HG2 LYS 87 1HG LYS 87 -19.327 -0.770 3.533 676 HG3 LYS 87 2HG LYS 87 -19.690 -2.049 2.373 677 HD2 LYS 87 1HD LYS 87 -18.506 -3.658 3.615 678 HD3 LYS 87 2HD LYS 87 -17.689 -2.429 4.582 679 HE2 LYS 87 1HE LYS 87 -19.589 -1.993 5.854 680 HE3 LYS 87 2HE LYS 87 -20.671 -2.692 4.652 681 HZ1 LYS 87 1HZ LYS 87 -19.751 -3.936 6.891 682 HZ2 LYS 87 2HZ LYS 87 -18.784 -4.589 5.668 683 HZ3 LYS 87 3HZ LYS 87 -20.469 -4.697 5.562 684 H ARG 88 H ARG 88 -17.386 1.659 1.401 685 HA ARG 88 HA ARG 88 -19.766 2.771 2.264 686 HB2 ARG 88 1HB ARG 88 -17.573 4.207 0.758 687 HB3 ARG 88 2HB ARG 88 -18.762 4.943 1.824 688 HG2 ARG 88 1HG ARG 88 -16.934 2.824 2.864 689 HG3 ARG 88 2HG ARG 88 -16.365 4.485 2.688 690 HD2 ARG 88 1HD ARG 88 -18.941 3.919 4.095 691 HD3 ARG 88 2HD ARG 88 -17.409 3.706 4.940 692 HE ARG 88 HE ARG 88 -18.701 6.153 4.426 693 HH11 ARG 88 1HH1 ARG 88 -15.531 4.712 4.389 694 HH12 ARG 88 2HH1 ARG 88 -14.708 6.201 4.713 695 HH21 ARG 88 1HH2 ARG 88 -17.627 8.120 4.853 696 HH22 ARG 88 2HH2 ARG 88 -15.901 8.139 4.978 697 H SER 89 H SER 89 -18.454 2.611 -1.021 698 HA SER 89 HA SER 89 -20.699 4.017 -2.153 699 HB2 SER 89 1HB SER 89 -19.626 3.629 -4.295 700 HB3 SER 89 2HB SER 89 -18.406 4.138 -3.128 701 HG SER 89 HG SER 89 -18.907 1.538 -4.124 702 H GLY 90 H GLY 90 -22.593 3.153 -2.671 703 HA2 GLY 90 1HA GLY 90 -23.584 1.305 -4.079 704 HA3 GLY 90 2HA GLY 90 -22.738 0.220 -2.985 705 HA PRO 91 HA PRO 91 -27.117 1.145 -1.490 706 HB2 PRO 91 1HB PRO 91 -28.085 -1.379 -1.746 707 HB3 PRO 91 2HB PRO 91 -28.170 -0.181 -3.043 708 HG2 PRO 91 1HG PRO 91 -26.216 -2.416 -2.652 709 HG3 PRO 91 2HG PRO 91 -27.026 -1.886 -4.137 710 HD2 PRO 91 1HD PRO 91 -24.470 -1.211 -3.550 711 HD3 PRO 91 2HD PRO 91 -25.553 -0.144 -4.467 712 H SER 92 H SER 92 -28.068 0.357 0.477 713 HA SER 92 HA SER 92 -26.130 -0.433 2.411 714 HB2 SER 92 1HB SER 92 -27.826 1.026 3.189 715 HB3 SER 92 2HB SER 92 -29.110 0.015 2.526 716 HG SER 92 HG SER 92 -28.465 -0.052 4.931 717 H SER 93 H SER 93 -29.071 -2.017 1.173 718 HA SER 93 HA SER 93 -28.452 -4.488 2.503 719 HB2 SER 93 1HB SER 93 -30.450 -5.353 1.352 720 HB3 SER 93 2HB SER 93 -30.785 -3.811 2.137 721 HG SER 93 HG SER 93 -30.671 -4.448 -0.564 722 H GLY 94 H GLY 94 -27.459 -6.258 1.707 723 HA2 GLY 94 1HA GLY 94 -27.245 -7.380 -0.676 724 HA3 GLY 94 2HA GLY 94 -26.189 -5.995 -0.911 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -5.864 -33.209 9.804 2 HA2 GLY 1 1HA GLY 1 -4.688 -33.746 11.837 3 HA3 GLY 1 2HA GLY 1 -4.477 -35.382 11.231 4 H SER 2 H SER 2 -2.770 -32.798 11.991 5 HA SER 2 HA SER 2 -1.120 -32.496 9.655 6 HB2 SER 2 1HB SER 2 -1.591 -30.805 11.622 7 HB3 SER 2 2HB SER 2 -0.226 -31.627 12.378 8 HG SER 2 HG SER 2 1.099 -30.865 10.865 9 H SER 3 H SER 3 0.444 -33.826 9.054 10 HA SER 3 HA SER 3 1.171 -36.186 10.110 11 HB2 SER 3 1HB SER 3 2.871 -34.185 8.628 12 HB3 SER 3 2HB SER 3 3.483 -35.780 9.065 13 HG SER 3 HG SER 3 2.431 -35.496 6.917 14 H GLY 4 H GLY 4 2.899 -33.145 10.822 15 HA2 GLY 4 1HA GLY 4 3.455 -32.630 13.135 16 HA3 GLY 4 2HA GLY 4 3.715 -34.350 13.390 17 H SER 5 H SER 5 4.974 -31.497 11.729 18 HA SER 5 HA SER 5 7.675 -32.343 12.264 19 HB2 SER 5 1HB SER 5 6.694 -32.132 9.408 20 HB3 SER 5 2HB SER 5 8.390 -32.238 9.878 21 HG SER 5 HG SER 5 7.426 -34.231 11.084 22 H SER 6 H SER 6 9.051 -30.642 12.399 23 HA SER 6 HA SER 6 7.899 -28.004 12.269 24 HB2 SER 6 1HB SER 6 10.162 -27.291 13.106 25 HB3 SER 6 2HB SER 6 9.350 -28.476 14.129 26 HG SER 6 HG SER 6 10.705 -30.041 13.404 27 H GLY 7 H GLY 7 9.319 -26.202 11.312 28 HA2 GLY 7 1HA GLY 7 10.871 -26.904 8.987 29 HA3 GLY 7 2HA GLY 7 9.290 -26.244 8.597 30 H ASP 8 H ASP 8 12.080 -25.527 10.696 31 HA ASP 8 HA ASP 8 11.565 -22.786 10.964 32 HB2 ASP 8 1HB ASP 8 13.241 -24.320 12.233 33 HB3 ASP 8 2HB ASP 8 14.360 -23.885 10.944 34 H ILE 9 H ILE 9 11.683 -21.173 9.559 35 HA ILE 9 HA ILE 9 13.214 -21.583 7.079 36 HB ILE 9 HB ILE 9 10.932 -19.670 7.583 37 HG12 ILE 9 1HG1 ILE 9 10.310 -22.098 7.537 38 HG13 ILE 9 2HG1 ILE 9 9.573 -21.146 6.253 39 HG21 ILE 9 1HG2 ILE 9 11.178 -19.912 4.884 40 HG22 ILE 9 2HG2 ILE 9 11.858 -18.599 5.845 41 HG23 ILE 9 3HG2 ILE 9 12.863 -19.978 5.402 42 HD11 ILE 9 1HD1 ILE 9 10.337 -23.288 5.421 43 HD12 ILE 9 2HD1 ILE 9 11.253 -21.972 4.686 44 HD13 ILE 9 3HD1 ILE 9 11.975 -22.937 5.974 45 H VAL 10 H VAL 10 14.895 -20.305 6.626 46 HA VAL 10 HA VAL 10 15.122 -17.609 7.501 47 HB VAL 10 HB VAL 10 15.711 -18.373 9.638 48 HG11 VAL 10 1HG1 VAL 10 17.628 -20.140 9.801 49 HG12 VAL 10 2HG1 VAL 10 15.965 -20.660 9.518 50 HG13 VAL 10 3HG1 VAL 10 17.103 -20.571 8.173 51 HG21 VAL 10 1HG2 VAL 10 17.905 -17.606 9.928 52 HG22 VAL 10 2HG2 VAL 10 18.417 -18.198 8.348 53 HG23 VAL 10 3HG2 VAL 10 17.350 -16.799 8.462 54 H ALA 11 H ALA 11 16.442 -16.543 6.154 55 HA ALA 11 HA ALA 11 18.733 -17.824 4.946 56 HB1 ALA 11 1HB ALA 11 16.988 -16.673 2.881 57 HB2 ALA 11 2HB ALA 11 18.003 -18.115 2.840 58 HB3 ALA 11 3HB ALA 11 16.413 -18.178 3.599 59 H ARG 12 H ARG 12 19.916 -16.286 3.491 60 HA ARG 12 HA ARG 12 20.030 -13.706 4.769 61 HB2 ARG 12 1HB ARG 12 22.041 -13.357 3.543 62 HB3 ARG 12 2HB ARG 12 22.046 -15.039 4.053 63 HG2 ARG 12 1HG ARG 12 21.219 -15.664 1.794 64 HG3 ARG 12 2HG ARG 12 21.404 -13.977 1.312 65 HD2 ARG 12 1HD ARG 12 23.373 -15.034 0.594 66 HD3 ARG 12 2HD ARG 12 23.821 -14.188 2.075 67 HE ARG 12 HE ARG 12 23.121 -16.719 2.870 68 HH11 ARG 12 1HH1 ARG 12 25.443 -15.337 0.676 69 HH12 ARG 12 2HH1 ARG 12 26.597 -16.612 0.887 70 HH21 ARG 12 1HH2 ARG 12 24.632 -18.403 3.157 71 HH22 ARG 12 2HH2 ARG 12 26.135 -18.357 2.299 72 H LEU 13 H LEU 13 19.496 -11.742 3.922 73 HA LEU 13 HA LEU 13 17.807 -11.794 1.536 74 HB2 LEU 13 1HB LEU 13 18.225 -9.608 3.571 75 HB3 LEU 13 2HB LEU 13 17.045 -9.594 2.261 76 HG LEU 13 HG LEU 13 16.972 -11.717 4.378 77 HD11 LEU 13 1HD1 LEU 13 16.074 -10.383 5.932 78 HD12 LEU 13 2HD1 LEU 13 15.149 -9.462 4.746 79 HD13 LEU 13 3HD1 LEU 13 16.844 -9.071 5.038 80 HD21 LEU 13 1HD2 LEU 13 15.132 -10.625 2.298 81 HD22 LEU 13 2HD2 LEU 13 14.459 -11.355 3.756 82 HD23 LEU 13 3HD2 LEU 13 15.511 -12.300 2.700 83 H GLN 14 H GLN 14 18.725 -11.328 -0.342 84 HA GLN 14 HA GLN 14 20.963 -9.417 -0.384 85 HB2 GLN 14 1HB GLN 14 21.141 -11.922 -1.219 86 HB3 GLN 14 2HB GLN 14 20.421 -11.249 -2.675 87 HG2 GLN 14 1HG GLN 14 22.253 -9.646 -2.846 88 HG3 GLN 14 2HG GLN 14 22.974 -10.316 -1.383 89 HE21 GLN 14 1HE2 GLN 14 23.192 -12.809 -1.534 90 HE22 GLN 14 2HE2 GLN 14 23.910 -13.390 -2.994 91 H THR 15 H THR 15 18.490 -10.602 -2.666 92 HA THR 15 HA THR 15 18.389 -8.051 -3.995 93 HB THR 15 HB THR 15 16.495 -9.140 -5.291 94 HG1 THR 15 HG1 THR 15 17.375 -11.584 -4.204 95 HG21 THR 15 1HG2 THR 15 19.115 -9.220 -5.714 96 HG22 THR 15 2HG2 THR 15 17.983 -10.107 -6.736 97 HG23 THR 15 3HG2 THR 15 18.854 -10.944 -5.451 98 H GLN 16 H GLN 16 16.014 -7.286 -4.548 99 HA GLN 16 HA GLN 16 14.432 -7.224 -2.071 100 HB2 GLN 16 1HB GLN 16 15.315 -4.884 -3.752 101 HB3 GLN 16 2HB GLN 16 13.958 -4.784 -2.638 102 HG2 GLN 16 1HG GLN 16 16.782 -5.496 -1.881 103 HG3 GLN 16 2HG GLN 16 16.033 -3.913 -1.674 104 HE21 GLN 16 1HE2 GLN 16 14.167 -3.788 -0.262 105 HE22 GLN 16 2HE2 GLN 16 14.054 -4.862 1.086 106 H ALA 17 H ALA 17 12.294 -7.476 -2.339 107 HA ALA 17 HA ALA 17 11.307 -7.882 -5.048 108 HB1 ALA 17 1HB ALA 17 9.187 -8.492 -3.536 109 HB2 ALA 17 2HB ALA 17 10.498 -9.628 -3.854 110 HB3 ALA 17 3HB ALA 17 10.464 -8.723 -2.341 111 H SER 18 H SER 18 9.526 -6.818 -5.926 112 HA SER 18 HA SER 18 8.484 -4.501 -4.465 113 HB2 SER 18 1HB SER 18 8.677 -3.221 -6.703 114 HB3 SER 18 2HB SER 18 10.137 -3.416 -5.735 115 HG SER 18 HG SER 18 10.481 -5.363 -7.099 116 H ALA 19 H ALA 19 6.344 -4.412 -4.578 117 HA ALA 19 HA ALA 19 5.000 -5.727 -6.849 118 HB1 ALA 19 1HB ALA 19 4.660 -7.107 -4.933 119 HB2 ALA 19 2HB ALA 19 4.204 -5.719 -3.944 120 HB3 ALA 19 3HB ALA 19 3.149 -6.254 -5.252 121 H THR 20 H THR 20 2.509 -4.990 -6.698 122 HA THR 20 HA THR 20 2.386 -2.097 -6.244 123 HB THR 20 HB THR 20 1.005 -2.066 -8.481 124 HG1 THR 20 HG1 THR 20 1.948 -3.540 -10.005 125 HG21 THR 20 1HG2 THR 20 3.753 -1.561 -7.810 126 HG22 THR 20 2HG2 THR 20 2.703 -0.695 -8.931 127 HG23 THR 20 3HG2 THR 20 3.629 -2.088 -9.488 128 H VAL 21 H VAL 21 0.225 -1.254 -6.095 129 HA VAL 21 HA VAL 21 -1.846 -3.297 -5.643 130 HB VAL 21 HB VAL 21 -1.066 -2.645 -3.456 131 HG11 VAL 21 1HG1 VAL 21 -1.816 0.208 -3.936 132 HG12 VAL 21 2HG1 VAL 21 -0.744 -0.480 -2.715 133 HG13 VAL 21 3HG1 VAL 21 -0.216 -0.375 -4.395 134 HG21 VAL 21 1HG2 VAL 21 -3.739 -2.070 -4.409 135 HG22 VAL 21 2HG2 VAL 21 -3.219 -2.877 -2.929 136 HG23 VAL 21 3HG2 VAL 21 -3.333 -1.118 -2.980 137 H ALA 22 H ALA 22 -2.930 -2.867 -7.539 138 HA ALA 22 HA ALA 22 -3.472 -0.384 -8.656 139 HB1 ALA 22 1HB ALA 22 -4.020 -2.008 -10.134 140 HB2 ALA 22 2HB ALA 22 -4.643 -3.088 -8.885 141 HB3 ALA 22 3HB ALA 22 -5.629 -1.744 -9.462 142 H ILE 23 H ILE 23 -4.428 1.289 -7.706 143 HA ILE 23 HA ILE 23 -6.971 0.846 -6.316 144 HB ILE 23 HB ILE 23 -6.255 2.652 -4.664 145 HG12 ILE 23 1HG1 ILE 23 -3.477 1.752 -5.423 146 HG13 ILE 23 2HG1 ILE 23 -4.195 3.231 -6.050 147 HG21 ILE 23 1HG2 ILE 23 -5.930 -0.150 -4.664 148 HG22 ILE 23 2HG2 ILE 23 -4.531 0.535 -3.839 149 HG23 ILE 23 3HG2 ILE 23 -6.159 0.920 -3.282 150 HD11 ILE 23 1HD1 ILE 23 -3.622 4.328 -4.221 151 HD12 ILE 23 2HD1 ILE 23 -4.465 3.160 -3.204 152 HD13 ILE 23 3HD1 ILE 23 -2.784 2.882 -3.661 153 HA PRO 24 HA PRO 24 -8.410 4.318 -8.586 154 HB2 PRO 24 1HB PRO 24 -10.210 5.379 -6.853 155 HB3 PRO 24 2HB PRO 24 -10.493 3.868 -7.727 156 HG2 PRO 24 1HG PRO 24 -9.565 4.283 -4.911 157 HG3 PRO 24 2HG PRO 24 -10.753 3.126 -5.538 158 HD2 PRO 24 1HD PRO 24 -8.204 2.425 -4.957 159 HD3 PRO 24 2HD PRO 24 -9.130 1.660 -6.264 160 H LYS 25 H LYS 25 -8.179 6.537 -8.826 161 HA LYS 25 HA LYS 25 -6.068 7.776 -7.458 162 HB2 LYS 25 1HB LYS 25 -7.246 8.277 -9.783 163 HB3 LYS 25 2HB LYS 25 -8.132 9.448 -8.816 164 HG2 LYS 25 1HG LYS 25 -6.411 10.761 -9.488 165 HG3 LYS 25 2HG LYS 25 -5.689 10.090 -8.023 166 HD2 LYS 25 1HD LYS 25 -4.895 8.208 -9.694 167 HD3 LYS 25 2HD LYS 25 -5.101 9.497 -10.881 168 HE2 LYS 25 1HE LYS 25 -3.394 10.747 -10.022 169 HE3 LYS 25 2HE LYS 25 -3.623 10.133 -8.386 170 HZ1 LYS 25 1HZ LYS 25 -1.772 9.291 -10.303 171 HZ2 LYS 25 2HZ LYS 25 -2.836 8.006 -10.026 172 HZ3 LYS 25 3HZ LYS 25 -1.994 8.699 -8.735 173 H GLU 26 H GLU 26 -9.210 7.243 -6.446 174 HA GLU 26 HA GLU 26 -9.399 9.644 -4.811 175 HB2 GLU 26 1HB GLU 26 -11.604 8.967 -4.288 176 HB3 GLU 26 2HB GLU 26 -11.382 8.587 -5.990 177 HG2 GLU 26 1HG GLU 26 -11.452 6.343 -5.647 178 HG3 GLU 26 2HG GLU 26 -10.786 6.457 -4.020 179 H HIS 27 H HIS 27 -8.060 6.569 -4.586 180 HA HIS 27 HA HIS 27 -8.270 6.517 -1.657 181 HB2 HIS 27 1HB HIS 27 -7.525 4.403 -3.675 182 HB3 HIS 27 2HB HIS 27 -7.264 4.191 -1.946 183 HD1 HIS 27 HD1 HIS 27 -9.102 2.228 -3.244 184 HD2 HIS 27 HD2 HIS 27 -10.441 5.856 -1.723 185 HE1 HIS 27 HE1 HIS 27 -11.557 1.908 -2.803 186 H HIS 28 H HIS 28 -6.176 7.373 -4.161 187 HA HIS 28 HA HIS 28 -3.670 6.698 -3.066 188 HB2 HIS 28 1HB HIS 28 -4.621 8.682 -5.092 189 HB3 HIS 28 2HB HIS 28 -2.970 8.804 -4.491 190 HD2 HIS 28 HD2 HIS 28 -4.862 5.491 -5.547 191 HE1 HIS 28 HE1 HIS 28 -1.312 5.903 -7.833 192 HE2 HIS 28 HE2 HIS 28 -3.346 4.486 -7.385 193 H ARG 29 H ARG 29 -5.786 9.475 -2.612 194 HA ARG 29 HA ARG 29 -3.923 11.019 -1.114 195 HB2 ARG 29 1HB ARG 29 -5.764 12.478 -0.632 196 HB3 ARG 29 2HB ARG 29 -5.922 11.944 -2.300 197 HG2 ARG 29 1HG ARG 29 -7.499 10.148 -1.366 198 HG3 ARG 29 2HG ARG 29 -7.538 11.146 0.089 199 HD2 ARG 29 1HD ARG 29 -8.228 12.092 -2.690 200 HD3 ARG 29 2HD ARG 29 -9.400 11.632 -1.455 201 HE ARG 29 HE ARG 29 -7.643 13.636 -0.486 202 HH11 ARG 29 1HH1 ARG 29 -10.381 13.143 -2.580 203 HH12 ARG 29 2HH1 ARG 29 -10.983 14.756 -2.387 204 HH21 ARG 29 1HH2 ARG 29 -8.426 15.762 -0.225 205 HH22 ARG 29 2HH2 ARG 29 -9.870 16.246 -1.050 206 H PHE 30 H PHE 30 -6.446 8.706 -0.273 207 HA PHE 30 HA PHE 30 -6.463 9.132 2.502 208 HB2 PHE 30 1HB PHE 30 -7.269 6.874 0.715 209 HB3 PHE 30 2HB PHE 30 -7.200 6.599 2.452 210 HD1 PHE 30 HD1 PHE 30 -8.568 8.100 3.959 211 HD2 PHE 30 HD2 PHE 30 -9.096 7.947 -0.262 212 HE1 PHE 30 HE1 PHE 30 -10.804 9.098 4.206 213 HE2 PHE 30 HE2 PHE 30 -11.333 8.945 -0.022 214 HZ PHE 30 HZ PHE 30 -12.189 9.522 2.214 215 H VAL 31 H VAL 31 -4.314 7.329 0.433 216 HA VAL 31 HA VAL 31 -3.037 5.914 2.596 217 HB VAL 31 HB VAL 31 -2.236 6.232 -0.299 218 HG11 VAL 31 1HG1 VAL 31 -1.083 4.471 1.860 219 HG12 VAL 31 2HG1 VAL 31 -0.705 4.341 0.141 220 HG13 VAL 31 3HG1 VAL 31 -0.271 5.799 1.034 221 HG21 VAL 31 1HG2 VAL 31 -3.091 4.008 -0.601 222 HG22 VAL 31 2HG2 VAL 31 -3.430 3.855 1.123 223 HG23 VAL 31 3HG2 VAL 31 -4.350 4.995 0.141 224 H ILE 32 H ILE 32 -2.424 8.796 0.678 225 HA ILE 32 HA ILE 32 0.222 9.231 1.650 226 HB ILE 32 HB ILE 32 -1.721 11.146 0.356 227 HG12 ILE 32 1HG1 ILE 32 0.706 9.808 -0.842 228 HG13 ILE 32 2HG1 ILE 32 -0.916 9.137 -0.969 229 HG21 ILE 32 1HG2 ILE 32 0.337 12.500 -0.095 230 HG22 ILE 32 2HG2 ILE 32 -0.154 12.441 1.596 231 HG23 ILE 32 3HG2 ILE 32 1.195 11.454 1.036 232 HD11 ILE 32 1HD1 ILE 32 -0.988 11.864 -1.777 233 HD12 ILE 32 2HD1 ILE 32 0.322 11.043 -2.627 234 HD13 ILE 32 3HD1 ILE 32 -1.322 10.413 -2.721 235 H GLY 33 H GLY 33 -2.977 10.472 2.537 236 HA2 GLY 33 1HA GLY 33 -3.283 10.776 4.989 237 HA3 GLY 33 2HA GLY 33 -1.744 11.623 4.965 238 H LYS 34 H LYS 34 -4.418 12.522 5.826 239 HA LYS 34 HA LYS 34 -5.806 14.158 4.179 240 HB2 LYS 34 1HB LYS 34 -6.308 13.906 6.564 241 HB3 LYS 34 2HB LYS 34 -4.882 14.849 6.975 242 HG2 LYS 34 1HG LYS 34 -6.649 16.350 7.184 243 HG3 LYS 34 2HG LYS 34 -5.949 16.726 5.609 244 HD2 LYS 34 1HD LYS 34 -7.684 15.280 4.562 245 HD3 LYS 34 2HD LYS 34 -8.422 15.087 6.152 246 HE2 LYS 34 1HE LYS 34 -8.887 17.431 6.292 247 HE3 LYS 34 2HE LYS 34 -7.955 17.755 4.831 248 HZ1 LYS 34 1HZ LYS 34 -10.438 16.130 4.935 249 HZ2 LYS 34 2HZ LYS 34 -9.565 16.535 3.545 250 HZ3 LYS 34 3HZ LYS 34 -10.354 17.742 4.428 251 H ASN 35 H ASN 35 -2.738 15.001 5.764 252 HA ASN 35 HA ASN 35 -2.516 17.298 3.935 253 HB2 ASN 35 1HB ASN 35 -1.663 16.861 6.757 254 HB3 ASN 35 2HB ASN 35 -0.645 17.880 5.743 255 HD21 ASN 35 1HD2 ASN 35 -3.319 17.779 7.733 256 HD22 ASN 35 2HD2 ASN 35 -4.003 19.315 7.336 257 H GLY 36 H GLY 36 -0.960 14.408 5.132 258 HA2 GLY 36 1HA GLY 36 0.433 13.381 3.268 259 HA3 GLY 36 2HA GLY 36 1.311 14.903 3.314 260 H GLU 37 H GLU 37 0.092 12.814 5.923 261 HA GLU 37 HA GLU 37 2.873 12.537 6.860 262 HB2 GLU 37 1HB GLU 37 1.952 12.520 9.181 263 HB3 GLU 37 2HB GLU 37 1.766 14.058 8.350 264 HG2 GLU 37 1HG GLU 37 -0.528 13.775 8.076 265 HG3 GLU 37 2HG GLU 37 -0.442 12.039 8.373 266 H LYS 38 H LYS 38 -0.103 11.031 6.089 267 HA LYS 38 HA LYS 38 0.094 8.661 7.589 268 HB2 LYS 38 1HB LYS 38 -1.977 9.222 6.506 269 HB3 LYS 38 2HB LYS 38 -1.208 9.230 4.924 270 HG2 LYS 38 1HG LYS 38 -2.451 7.223 5.094 271 HG3 LYS 38 2HG LYS 38 -0.745 6.789 5.234 272 HD2 LYS 38 1HD LYS 38 -0.920 6.462 7.565 273 HD3 LYS 38 2HD LYS 38 -2.491 7.263 7.638 274 HE2 LYS 38 1HE LYS 38 -2.141 4.804 5.975 275 HE3 LYS 38 2HE LYS 38 -2.343 4.660 7.720 276 HZ1 LYS 38 1HZ LYS 38 -4.367 6.180 7.325 277 HZ2 LYS 38 2HZ LYS 38 -4.494 4.538 6.942 278 HZ3 LYS 38 3HZ LYS 38 -4.247 5.676 5.715 279 H LEU 39 H LEU 39 1.038 9.294 4.208 280 HA LEU 39 HA LEU 39 2.129 6.836 3.599 281 HB2 LEU 39 1HB LEU 39 1.966 8.271 1.804 282 HB3 LEU 39 2HB LEU 39 2.685 9.619 2.684 283 HG LEU 39 HG LEU 39 4.869 8.257 2.556 284 HD11 LEU 39 1HD1 LEU 39 3.933 7.091 0.040 285 HD12 LEU 39 2HD1 LEU 39 3.253 6.345 1.486 286 HD13 LEU 39 3HD1 LEU 39 5.002 6.426 1.277 287 HD21 LEU 39 1HD2 LEU 39 3.605 9.521 0.128 288 HD22 LEU 39 2HD2 LEU 39 5.321 9.145 0.281 289 HD23 LEU 39 3HD2 LEU 39 4.578 10.322 1.363 290 H GLN 40 H GLN 40 3.714 9.611 5.139 291 HA GLN 40 HA GLN 40 6.303 8.665 5.283 292 HB2 GLN 40 1HB GLN 40 4.916 10.201 7.483 293 HB3 GLN 40 2HB GLN 40 6.638 10.176 7.128 294 HG2 GLN 40 1HG GLN 40 4.477 11.337 5.383 295 HG3 GLN 40 2HG GLN 40 5.628 12.239 6.367 296 HE21 GLN 40 1HE2 GLN 40 7.961 10.934 5.871 297 HE22 GLN 40 2HE2 GLN 40 8.388 11.097 4.205 298 H ASP 41 H ASP 41 3.846 8.363 7.855 299 HA ASP 41 HA ASP 41 5.279 6.710 9.554 300 HB2 ASP 41 1HB ASP 41 3.009 7.848 9.933 301 HB3 ASP 41 2HB ASP 41 2.305 6.432 9.157 302 H LEU 42 H LEU 42 3.115 5.804 6.889 303 HA LEU 42 HA LEU 42 3.195 3.042 7.209 304 HB2 LEU 42 1HB LEU 42 2.677 4.886 4.946 305 HB3 LEU 42 2HB LEU 42 2.983 3.195 4.560 306 HG LEU 42 HG LEU 42 0.805 4.182 6.401 307 HD11 LEU 42 1HD1 LEU 42 -0.513 3.126 4.341 308 HD12 LEU 42 2HD1 LEU 42 0.914 3.704 3.482 309 HD13 LEU 42 3HD1 LEU 42 -0.071 4.832 4.415 310 HD21 LEU 42 1HD2 LEU 42 0.976 2.057 7.122 311 HD22 LEU 42 2HD2 LEU 42 1.859 1.528 5.690 312 HD23 LEU 42 3HD2 LEU 42 0.103 1.690 5.634 313 H GLU 43 H GLU 43 5.237 5.069 5.103 314 HA GLU 43 HA GLU 43 6.869 3.138 4.035 315 HB2 GLU 43 1HB GLU 43 7.280 6.010 4.735 316 HB3 GLU 43 2HB GLU 43 8.678 5.061 4.249 317 HG2 GLU 43 1HG GLU 43 7.624 4.522 2.142 318 HG3 GLU 43 2HG GLU 43 6.160 5.374 2.630 319 H LEU 44 H LEU 44 7.141 4.703 7.192 320 HA LEU 44 HA LEU 44 9.583 3.381 7.887 321 HB2 LEU 44 1HB LEU 44 7.569 5.006 9.398 322 HB3 LEU 44 2HB LEU 44 8.881 4.178 10.235 323 HG LEU 44 HG LEU 44 9.337 6.179 8.030 324 HD11 LEU 44 1HD1 LEU 44 8.277 6.732 10.545 325 HD12 LEU 44 2HD1 LEU 44 9.020 7.874 9.427 326 HD13 LEU 44 3HD1 LEU 44 9.996 7.105 10.679 327 HD21 LEU 44 1HD2 LEU 44 11.385 5.296 8.188 328 HD22 LEU 44 2HD2 LEU 44 11.018 4.478 9.708 329 HD23 LEU 44 3HD2 LEU 44 11.497 6.176 9.712 330 H LYS 45 H LYS 45 6.361 3.148 9.402 331 HA LYS 45 HA LYS 45 6.663 0.966 10.956 332 HB2 LYS 45 1HB LYS 45 4.558 2.198 10.787 333 HB3 LYS 45 2HB LYS 45 4.282 1.539 9.180 334 HG2 LYS 45 1HG LYS 45 4.263 -0.741 10.223 335 HG3 LYS 45 2HG LYS 45 4.282 0.059 11.797 336 HD2 LYS 45 1HD LYS 45 2.014 -0.372 11.368 337 HD3 LYS 45 2HD LYS 45 2.229 1.337 10.981 338 HE2 LYS 45 1HE LYS 45 0.937 0.421 9.226 339 HE3 LYS 45 2HE LYS 45 2.565 0.623 8.582 340 HZ1 LYS 45 1HZ LYS 45 1.277 -1.584 8.210 341 HZ2 LYS 45 2HZ LYS 45 1.805 -1.953 9.774 342 HZ3 LYS 45 3HZ LYS 45 2.932 -1.624 8.556 343 H THR 46 H THR 46 6.093 0.913 7.462 344 HA THR 46 HA THR 46 6.337 -1.993 7.418 345 HB THR 46 HB THR 46 5.655 -1.911 5.132 346 HG1 THR 46 HG1 THR 46 6.355 0.815 5.350 347 HG21 THR 46 1HG2 THR 46 3.795 -1.652 6.596 348 HG22 THR 46 2HG2 THR 46 3.559 -0.515 5.270 349 HG23 THR 46 3HG2 THR 46 4.138 0.060 6.834 350 H ALA 47 H ALA 47 8.249 0.804 6.917 351 HA ALA 47 HA ALA 47 10.413 1.123 6.287 352 HB1 ALA 47 1HB ALA 47 11.490 -1.480 6.219 353 HB2 ALA 47 2HB ALA 47 11.636 -0.274 7.499 354 HB3 ALA 47 3HB ALA 47 10.317 -1.443 7.537 355 H THR 48 H THR 48 8.442 0.700 4.245 356 HA THR 48 HA THR 48 10.049 -0.607 2.150 357 HB THR 48 HB THR 48 7.953 -0.785 0.849 358 HG1 THR 48 HG1 THR 48 6.986 1.032 2.209 359 HG21 THR 48 1HG2 THR 48 7.033 -2.624 2.041 360 HG22 THR 48 2HG2 THR 48 7.571 -1.976 3.591 361 HG23 THR 48 3HG2 THR 48 8.752 -2.585 2.431 362 H LYS 49 H LYS 49 9.409 0.375 -0.110 363 HA LYS 49 HA LYS 49 9.703 3.297 0.129 364 HB2 LYS 49 1HB LYS 49 10.967 1.274 -1.644 365 HB3 LYS 49 2HB LYS 49 10.611 2.845 -2.349 366 HG2 LYS 49 1HG LYS 49 12.013 2.785 0.265 367 HG3 LYS 49 2HG LYS 49 12.919 2.322 -1.177 368 HD2 LYS 49 1HD LYS 49 11.329 4.871 -0.994 369 HD3 LYS 49 2HD LYS 49 13.028 4.766 -0.525 370 HE2 LYS 49 1HE LYS 49 13.376 3.753 -2.872 371 HE3 LYS 49 2HE LYS 49 11.790 4.430 -3.236 372 HZ1 LYS 49 1HZ LYS 49 13.448 5.995 -3.877 373 HZ2 LYS 49 2HZ LYS 49 14.206 5.917 -2.367 374 HZ3 LYS 49 3HZ LYS 49 12.670 6.611 -2.506 375 H ILE 50 H ILE 50 7.444 3.657 0.120 376 HA ILE 50 HA ILE 50 5.785 2.700 -2.007 377 HB ILE 50 HB ILE 50 5.289 4.911 -0.010 378 HG12 ILE 50 1HG1 ILE 50 4.193 2.098 -0.004 379 HG13 ILE 50 2HG1 ILE 50 5.655 2.551 0.865 380 HG21 ILE 50 1HG2 ILE 50 3.920 5.085 -2.064 381 HG22 ILE 50 2HG2 ILE 50 3.311 3.458 -1.759 382 HG23 ILE 50 3HG2 ILE 50 2.963 4.758 -0.619 383 HD11 ILE 50 1HD1 ILE 50 4.287 2.947 2.573 384 HD12 ILE 50 2HD1 ILE 50 3.863 4.429 1.717 385 HD13 ILE 50 3HD1 ILE 50 2.859 2.991 1.540 386 H GLN 51 H GLN 51 5.430 3.565 -3.950 387 HA GLN 51 HA GLN 51 6.328 6.328 -4.436 388 HB2 GLN 51 1HB GLN 51 7.687 4.277 -5.421 389 HB3 GLN 51 2HB GLN 51 6.421 4.319 -6.639 390 HG2 GLN 51 1HG GLN 51 6.960 6.686 -7.071 391 HG3 GLN 51 2HG GLN 51 8.282 6.568 -5.911 392 HE21 GLN 51 1HE2 GLN 51 7.040 5.205 -8.918 393 HE22 GLN 51 2HE2 GLN 51 8.581 4.794 -9.579 394 H ILE 52 H ILE 52 4.677 7.585 -4.955 395 HA ILE 52 HA ILE 52 2.350 6.382 -6.299 396 HB ILE 52 HB ILE 52 2.487 8.923 -4.672 397 HG12 ILE 52 1HG1 ILE 52 1.007 6.390 -3.983 398 HG13 ILE 52 2HG1 ILE 52 2.669 6.663 -3.472 399 HG21 ILE 52 1HG2 ILE 52 0.782 8.535 -6.675 400 HG22 ILE 52 2HG2 ILE 52 -0.084 7.653 -5.419 401 HG23 ILE 52 3HG2 ILE 52 0.315 9.355 -5.185 402 HD11 ILE 52 1HD1 ILE 52 2.084 8.286 -1.977 403 HD12 ILE 52 2HD1 ILE 52 0.630 8.737 -2.866 404 HD13 ILE 52 3HD1 ILE 52 0.656 7.254 -1.913 405 HA PRO 53 HA PRO 53 3.472 8.707 -9.899 406 HB2 PRO 53 1HB PRO 53 1.177 8.291 -11.287 407 HB3 PRO 53 2HB PRO 53 2.420 7.050 -11.095 408 HG2 PRO 53 1HG PRO 53 -0.142 7.411 -9.591 409 HG3 PRO 53 2HG PRO 53 0.585 5.922 -10.221 410 HD2 PRO 53 1HD PRO 53 0.764 6.641 -7.618 411 HD3 PRO 53 2HD PRO 53 2.045 5.735 -8.448 412 H ARG 54 H ARG 54 3.215 10.773 -10.575 413 HA ARG 54 HA ARG 54 2.124 12.757 -9.147 414 HB2 ARG 54 1HB ARG 54 2.293 12.535 -12.149 415 HB3 ARG 54 2HB ARG 54 1.816 14.020 -11.336 416 HG2 ARG 54 1HG ARG 54 4.034 14.427 -11.572 417 HG3 ARG 54 2HG ARG 54 4.069 13.592 -10.018 418 HD2 ARG 54 1HD ARG 54 4.921 11.651 -10.929 419 HD3 ARG 54 2HD ARG 54 4.302 12.013 -12.540 420 HE ARG 54 HE ARG 54 6.365 13.801 -11.584 421 HH11 ARG 54 1HH1 ARG 54 5.620 10.902 -13.363 422 HH12 ARG 54 2HH1 ARG 54 7.100 10.918 -14.263 423 HH21 ARG 54 1HH2 ARG 54 8.317 13.832 -12.763 424 HH22 ARG 54 2HH2 ARG 54 8.634 12.584 -13.919 425 HA PRO 55 HA PRO 55 -2.262 12.590 -9.185 426 HB2 PRO 55 1HB PRO 55 -2.902 15.228 -9.166 427 HB3 PRO 55 2HB PRO 55 -2.228 14.393 -7.762 428 HG2 PRO 55 1HG PRO 55 -0.851 16.125 -9.778 429 HG3 PRO 55 2HG PRO 55 -0.661 16.093 -8.016 430 HD2 PRO 55 1HD PRO 55 1.093 14.890 -9.692 431 HD3 PRO 55 2HD PRO 55 0.732 14.256 -8.073 432 H ASP 56 H ASP 56 -0.543 14.076 -11.754 433 HA ASP 56 HA ASP 56 -2.957 14.436 -13.368 434 HB2 ASP 56 1HB ASP 56 -1.611 16.286 -13.717 435 HB3 ASP 56 2HB ASP 56 -0.120 15.356 -13.592 436 H ASP 57 H ASP 57 -0.233 12.330 -12.984 437 HA ASP 57 HA ASP 57 -0.275 11.107 -15.534 438 HB2 ASP 57 1HB ASP 57 1.554 10.981 -13.740 439 HB3 ASP 57 2HB ASP 57 0.568 9.729 -12.990 440 HA PRO 58 HA PRO 58 -3.933 8.663 -15.283 441 HB2 PRO 58 1HB PRO 58 -3.334 6.844 -17.206 442 HB3 PRO 58 2HB PRO 58 -3.799 8.510 -17.570 443 HG2 PRO 58 1HG PRO 58 -1.068 7.287 -17.460 444 HG3 PRO 58 2HG PRO 58 -1.740 8.419 -18.648 445 HD2 PRO 58 1HD PRO 58 -0.106 9.214 -16.640 446 HD3 PRO 58 2HD PRO 58 -1.396 10.248 -17.288 447 H SER 59 H SER 59 -0.996 7.755 -14.115 448 HA SER 59 HA SER 59 -1.518 4.936 -13.754 449 HB2 SER 59 1HB SER 59 0.793 5.905 -14.032 450 HB3 SER 59 2HB SER 59 0.621 6.609 -12.424 451 HG SER 59 HG SER 59 0.659 3.869 -13.139 452 H ASN 60 H ASN 60 -2.665 4.077 -12.161 453 HA ASN 60 HA ASN 60 -3.060 5.655 -9.703 454 HB2 ASN 60 1HB ASN 60 -5.324 4.801 -9.542 455 HB3 ASN 60 2HB ASN 60 -5.106 5.565 -11.113 456 HD21 ASN 60 1HD2 ASN 60 -6.559 3.090 -9.704 457 HD22 ASN 60 2HD2 ASN 60 -6.519 1.917 -10.973 458 H GLN 61 H GLN 61 -1.224 3.363 -10.586 459 HA GLN 61 HA GLN 61 -1.967 1.427 -8.498 460 HB2 GLN 61 1HB GLN 61 -0.348 -0.094 -9.655 461 HB3 GLN 61 2HB GLN 61 -1.746 0.351 -10.626 462 HG2 GLN 61 1HG GLN 61 -0.414 1.985 -11.830 463 HG3 GLN 61 2HG GLN 61 0.986 1.597 -10.831 464 HE21 GLN 61 1HE2 GLN 61 -1.415 -0.537 -12.301 465 HE22 GLN 61 2HE2 GLN 61 -0.294 -1.424 -13.272 466 H ILE 62 H ILE 62 -0.922 1.635 -6.644 467 HA ILE 62 HA ILE 62 1.447 3.230 -6.403 468 HB ILE 62 HB ILE 62 -0.176 1.623 -4.455 469 HG12 ILE 62 1HG1 ILE 62 0.532 4.560 -4.628 470 HG13 ILE 62 2HG1 ILE 62 -0.992 3.846 -5.143 471 HG21 ILE 62 1HG2 ILE 62 2.045 1.248 -3.701 472 HG22 ILE 62 2HG2 ILE 62 2.489 2.931 -3.972 473 HG23 ILE 62 3HG2 ILE 62 1.363 2.515 -2.682 474 HD11 ILE 62 1HD1 ILE 62 -0.948 2.986 -2.617 475 HD12 ILE 62 2HD1 ILE 62 -0.003 4.465 -2.437 476 HD13 ILE 62 3HD1 ILE 62 -1.635 4.537 -3.100 477 H LYS 63 H LYS 63 3.508 2.560 -5.739 478 HA LYS 63 HA LYS 63 4.099 -0.267 -6.316 479 HB2 LYS 63 1HB LYS 63 5.174 1.130 -7.930 480 HB3 LYS 63 2HB LYS 63 5.763 2.224 -6.684 481 HG2 LYS 63 1HG LYS 63 7.208 0.429 -5.823 482 HG3 LYS 63 2HG LYS 63 6.652 -0.620 -7.129 483 HD2 LYS 63 1HD LYS 63 7.757 2.052 -7.835 484 HD3 LYS 63 2HD LYS 63 8.881 0.786 -7.337 485 HE2 LYS 63 1HE LYS 63 8.732 0.635 -9.688 486 HE3 LYS 63 2HE LYS 63 7.766 -0.697 -9.055 487 HZ1 LYS 63 1HZ LYS 63 6.857 0.868 -10.930 488 HZ2 LYS 63 2HZ LYS 63 6.420 1.842 -9.618 489 HZ3 LYS 63 3HZ LYS 63 5.830 0.261 -9.731 490 H ILE 64 H ILE 64 5.068 -1.486 -4.804 491 HA ILE 64 HA ILE 64 6.132 -0.137 -2.411 492 HB ILE 64 HB ILE 64 5.327 -2.459 -1.338 493 HG12 ILE 64 1HG1 ILE 64 3.235 -1.822 -3.429 494 HG13 ILE 64 2HG1 ILE 64 4.308 -3.217 -3.466 495 HG21 ILE 64 1HG2 ILE 64 3.195 -0.416 -1.562 496 HG22 ILE 64 2HG2 ILE 64 3.877 -1.192 -0.134 497 HG23 ILE 64 3HG2 ILE 64 4.758 0.108 -0.935 498 HD11 ILE 64 1HD1 ILE 64 3.023 -3.212 -0.954 499 HD12 ILE 64 2HD1 ILE 64 1.793 -2.935 -2.186 500 HD13 ILE 64 3HD1 ILE 64 2.835 -4.354 -2.284 501 H THR 65 H THR 65 8.182 -0.620 -2.028 502 HA THR 65 HA THR 65 9.210 -3.240 -2.894 503 HB THR 65 HB THR 65 10.734 -0.634 -3.071 504 HG1 THR 65 HG1 THR 65 10.136 -0.557 -5.122 505 HG21 THR 65 1HG2 THR 65 12.260 -2.147 -4.479 506 HG22 THR 65 2HG2 THR 65 11.420 -3.491 -3.704 507 HG23 THR 65 3HG2 THR 65 12.317 -2.329 -2.727 508 H GLY 66 H GLY 66 10.558 -4.282 -1.496 509 HA2 GLY 66 1HA GLY 66 12.225 -3.408 0.426 510 HA3 GLY 66 2HA GLY 66 10.660 -3.246 1.208 511 H THR 67 H THR 67 11.217 -4.792 2.775 512 HA THR 67 HA THR 67 11.945 -7.466 1.986 513 HB THR 67 HB THR 67 11.877 -8.007 4.361 514 HG1 THR 67 HG1 THR 67 10.921 -6.722 5.807 515 HG21 THR 67 1HG2 THR 67 13.387 -6.042 5.177 516 HG22 THR 67 2HG2 THR 67 13.253 -5.491 3.507 517 HG23 THR 67 3HG2 THR 67 13.938 -7.077 3.860 518 H LYS 68 H LYS 68 10.694 -9.320 2.148 519 HA LYS 68 HA LYS 68 8.156 -9.377 1.260 520 HB2 LYS 68 1HB LYS 68 9.814 -11.305 1.977 521 HB3 LYS 68 2HB LYS 68 8.823 -11.321 3.430 522 HG2 LYS 68 1HG LYS 68 6.987 -12.119 2.340 523 HG3 LYS 68 2HG LYS 68 7.451 -11.399 0.797 524 HD2 LYS 68 1HD LYS 68 9.177 -13.544 1.921 525 HD3 LYS 68 2HD LYS 68 7.621 -14.006 1.227 526 HE2 LYS 68 1HE LYS 68 9.484 -12.208 -0.276 527 HE3 LYS 68 2HE LYS 68 9.728 -13.954 -0.286 528 HZ1 LYS 68 1HZ LYS 68 7.326 -14.099 -1.004 529 HZ2 LYS 68 2HZ LYS 68 8.409 -13.483 -2.148 530 HZ3 LYS 68 3HZ LYS 68 7.396 -12.433 -1.291 531 H GLU 69 H GLU 69 9.130 -8.870 4.605 532 HA GLU 69 HA GLU 69 6.461 -8.928 5.642 533 HB2 GLU 69 1HB GLU 69 9.062 -7.935 6.812 534 HB3 GLU 69 2HB GLU 69 7.543 -7.961 7.696 535 HG2 GLU 69 1HG GLU 69 8.637 -9.897 8.371 536 HG3 GLU 69 2HG GLU 69 7.475 -10.454 7.169 537 H GLY 70 H GLY 70 8.768 -6.370 4.793 538 HA2 GLY 70 1HA GLY 70 7.246 -4.178 5.645 539 HA3 GLY 70 2HA GLY 70 8.466 -4.133 4.382 540 H ILE 71 H ILE 71 7.566 -5.407 2.310 541 HA ILE 71 HA ILE 71 5.643 -3.763 1.161 542 HB ILE 71 HB ILE 71 6.365 -6.577 0.340 543 HG12 ILE 71 1HG1 ILE 71 7.451 -3.969 -0.729 544 HG13 ILE 71 2HG1 ILE 71 8.256 -4.906 0.524 545 HG21 ILE 71 1HG2 ILE 71 4.440 -6.131 -0.858 546 HG22 ILE 71 2HG2 ILE 71 4.789 -4.406 -0.974 547 HG23 ILE 71 3HG2 ILE 71 5.698 -5.557 -1.954 548 HD11 ILE 71 1HD1 ILE 71 8.181 -5.305 -2.353 549 HD12 ILE 71 2HD1 ILE 71 9.329 -5.894 -1.151 550 HD13 ILE 71 3HD1 ILE 71 7.826 -6.769 -1.436 551 H GLU 72 H GLU 72 5.280 -6.994 2.581 552 HA GLU 72 HA GLU 72 2.599 -7.421 1.970 553 HB2 GLU 72 1HB GLU 72 4.454 -8.418 4.077 554 HB3 GLU 72 2HB GLU 72 2.734 -8.722 4.286 555 HG2 GLU 72 1HG GLU 72 2.792 -9.671 1.921 556 HG3 GLU 72 2HG GLU 72 4.546 -9.665 2.094 557 H LYS 73 H LYS 73 4.014 -5.952 4.885 558 HA LYS 73 HA LYS 73 1.662 -5.427 6.263 559 HB2 LYS 73 1HB LYS 73 4.339 -4.062 6.216 560 HB3 LYS 73 2HB LYS 73 3.032 -3.447 7.219 561 HG2 LYS 73 1HG LYS 73 3.088 -5.240 8.638 562 HG3 LYS 73 2HG LYS 73 3.748 -6.328 7.415 563 HD2 LYS 73 1HD LYS 73 5.478 -5.919 8.998 564 HD3 LYS 73 2HD LYS 73 5.883 -5.010 7.539 565 HE2 LYS 73 1HE LYS 73 6.294 -3.603 9.427 566 HE3 LYS 73 2HE LYS 73 4.861 -2.996 8.598 567 HZ1 LYS 73 1HZ LYS 73 5.126 -4.076 11.255 568 HZ2 LYS 73 2HZ LYS 73 3.817 -4.713 10.394 569 HZ3 LYS 73 3HZ LYS 73 3.947 -3.042 10.619 570 H ALA 74 H ALA 74 3.436 -3.255 4.064 571 HA ALA 74 HA ALA 74 1.563 -1.157 4.145 572 HB1 ALA 74 1HB ALA 74 3.910 -1.858 2.531 573 HB2 ALA 74 2HB ALA 74 2.722 -0.845 1.710 574 HB3 ALA 74 3HB ALA 74 3.432 -0.313 3.234 575 H ARG 75 H ARG 75 1.835 -4.005 2.093 576 HA ARG 75 HA ARG 75 -0.172 -3.239 0.234 577 HB2 ARG 75 1HB ARG 75 1.692 -5.121 0.149 578 HB3 ARG 75 2HB ARG 75 0.392 -6.115 0.794 579 HG2 ARG 75 1HG ARG 75 -0.979 -5.687 -1.111 580 HG3 ARG 75 2HG ARG 75 0.152 -4.477 -1.716 581 HD2 ARG 75 1HD ARG 75 1.871 -6.305 -1.859 582 HD3 ARG 75 2HD ARG 75 0.579 -7.450 -1.497 583 HE ARG 75 HE ARG 75 -0.187 -5.844 -3.674 584 HH11 ARG 75 1HH1 ARG 75 2.056 -8.378 -2.856 585 HH12 ARG 75 2HH1 ARG 75 2.121 -9.018 -4.465 586 HH21 ARG 75 1HH2 ARG 75 -0.111 -6.678 -5.795 587 HH22 ARG 75 2HH2 ARG 75 0.888 -8.050 -6.136 588 H HIS 76 H HIS 76 -0.200 -4.956 3.291 589 HA HIS 76 HA HIS 76 -2.913 -5.844 3.071 590 HB2 HIS 76 1HB HIS 76 -1.056 -6.851 4.529 591 HB3 HIS 76 2HB HIS 76 -1.383 -5.532 5.648 592 HD1 HIS 76 HD1 HIS 76 -2.957 -8.629 4.209 593 HD2 HIS 76 HD2 HIS 76 -3.664 -5.823 7.191 594 HE1 HIS 76 HE1 HIS 76 -4.852 -9.561 5.574 595 H GLU 77 H GLU 77 -1.330 -2.962 4.173 596 HA GLU 77 HA GLU 77 -3.662 -1.983 5.589 597 HB2 GLU 77 1HB GLU 77 -0.992 -0.722 4.951 598 HB3 GLU 77 2HB GLU 77 -2.268 0.096 5.842 599 HG2 GLU 77 1HG GLU 77 -0.994 -2.492 6.696 600 HG3 GLU 77 2HG GLU 77 -0.508 -0.898 7.273 601 H VAL 78 H VAL 78 -1.865 -1.174 2.635 602 HA VAL 78 HA VAL 78 -3.496 0.967 1.821 603 HB VAL 78 HB VAL 78 -1.222 0.389 0.896 604 HG11 VAL 78 1HG1 VAL 78 -1.851 -2.032 0.502 605 HG12 VAL 78 2HG1 VAL 78 -2.725 -1.474 -0.926 606 HG13 VAL 78 3HG1 VAL 78 -0.982 -1.230 -0.807 607 HG21 VAL 78 1HG2 VAL 78 -2.376 0.745 -1.604 608 HG22 VAL 78 2HG2 VAL 78 -3.552 1.424 -0.477 609 HG23 VAL 78 3HG2 VAL 78 -1.889 2.012 -0.478 610 H LEU 79 H LEU 79 -3.855 -2.484 1.528 611 HA LEU 79 HA LEU 79 -5.960 -2.325 -0.440 612 HB2 LEU 79 1HB LEU 79 -4.599 -4.496 1.073 613 HB3 LEU 79 2HB LEU 79 -6.190 -4.823 0.388 614 HG LEU 79 HG LEU 79 -3.834 -3.863 -1.229 615 HD11 LEU 79 1HD1 LEU 79 -4.435 -6.487 -0.166 616 HD12 LEU 79 2HD1 LEU 79 -2.996 -5.909 -1.004 617 HD13 LEU 79 3HD1 LEU 79 -4.383 -6.484 -1.930 618 HD21 LEU 79 1HD2 LEU 79 -5.141 -4.104 -3.084 619 HD22 LEU 79 2HD2 LEU 79 -6.378 -3.637 -1.915 620 HD23 LEU 79 3HD2 LEU 79 -6.163 -5.336 -2.342 621 H LEU 80 H LEU 80 -5.692 -2.797 3.044 622 HA LEU 80 HA LEU 80 -8.387 -3.436 3.543 623 HB2 LEU 80 1HB LEU 80 -6.105 -2.433 5.160 624 HB3 LEU 80 2HB LEU 80 -7.723 -2.310 5.849 625 HG LEU 80 HG LEU 80 -6.496 -4.888 4.880 626 HD11 LEU 80 1HD1 LEU 80 -6.333 -5.353 7.368 627 HD12 LEU 80 2HD1 LEU 80 -6.526 -3.615 7.602 628 HD13 LEU 80 3HD1 LEU 80 -5.147 -4.235 6.693 629 HD21 LEU 80 1HD2 LEU 80 -8.911 -4.917 4.888 630 HD22 LEU 80 2HD2 LEU 80 -8.945 -4.273 6.530 631 HD23 LEU 80 3HD2 LEU 80 -8.304 -5.889 6.229 632 H ILE 81 H ILE 81 -6.667 -0.340 3.481 633 HA ILE 81 HA ILE 81 -8.860 1.246 4.302 634 HB ILE 81 HB ILE 81 -6.421 2.000 2.690 635 HG12 ILE 81 1HG1 ILE 81 -6.891 2.737 5.552 636 HG13 ILE 81 2HG1 ILE 81 -6.334 1.111 5.171 637 HG21 ILE 81 1HG2 ILE 81 -7.242 4.047 2.439 638 HG22 ILE 81 2HG2 ILE 81 -8.780 3.467 3.076 639 HG23 ILE 81 3HG2 ILE 81 -7.584 4.167 4.165 640 HD11 ILE 81 1HD1 ILE 81 -4.722 2.924 3.723 641 HD12 ILE 81 2HD1 ILE 81 -4.830 3.502 5.385 642 HD13 ILE 81 3HD1 ILE 81 -4.265 1.865 5.057 643 H SER 82 H SER 82 -7.490 0.633 1.070 644 HA SER 82 HA SER 82 -9.339 2.115 -0.398 645 HB2 SER 82 1HB SER 82 -8.694 0.623 -2.311 646 HB3 SER 82 2HB SER 82 -7.319 1.312 -1.446 647 HG SER 82 HG SER 82 -8.351 -1.319 -1.273 648 H ALA 83 H ALA 83 -9.407 -1.312 0.526 649 HA ALA 83 HA ALA 83 -11.748 -2.050 -0.791 650 HB1 ALA 83 1HB ALA 83 -10.157 -3.107 1.445 651 HB2 ALA 83 2HB ALA 83 -11.845 -3.620 1.406 652 HB3 ALA 83 3HB ALA 83 -10.799 -3.923 0.019 653 H GLU 84 H GLU 84 -11.391 -1.058 2.620 654 HA GLU 84 HA GLU 84 -13.975 -1.107 3.454 655 HB2 GLU 84 1HB GLU 84 -11.700 0.725 4.081 656 HB3 GLU 84 2HB GLU 84 -13.288 1.097 4.735 657 HG2 GLU 84 1HG GLU 84 -12.187 -1.648 5.077 658 HG3 GLU 84 2HG GLU 84 -11.582 -0.339 6.092 659 H GLN 85 H GLN 85 -12.436 1.507 1.614 660 HA GLN 85 HA GLN 85 -14.463 3.363 1.576 661 HB2 GLN 85 1HB GLN 85 -12.607 2.615 -0.690 662 HB3 GLN 85 2HB GLN 85 -13.561 4.091 -0.617 663 HG2 GLN 85 1HG GLN 85 -11.274 3.278 1.149 664 HG3 GLN 85 2HG GLN 85 -11.367 4.651 0.048 665 HE21 GLN 85 1HE2 GLN 85 -10.693 4.745 2.809 666 HE22 GLN 85 2HE2 GLN 85 -11.893 5.701 3.603 667 H ASP 86 H ASP 86 -13.996 0.692 -0.734 668 HA ASP 86 HA ASP 86 -16.038 1.030 -2.464 669 HB2 ASP 86 1HB ASP 86 -14.385 -0.960 -2.178 670 HB3 ASP 86 2HB ASP 86 -15.679 -1.682 -1.227 671 H LYS 87 H LYS 87 -16.336 -0.186 0.839 672 HA LYS 87 HA LYS 87 -19.149 -0.682 0.643 673 HB2 LYS 87 1HB LYS 87 -17.602 -1.840 2.243 674 HB3 LYS 87 2HB LYS 87 -17.488 -0.334 3.143 675 HG2 LYS 87 1HG LYS 87 -19.089 -1.535 4.306 676 HG3 LYS 87 2HG LYS 87 -20.052 -0.468 3.283 677 HD2 LYS 87 1HD LYS 87 -20.318 -2.300 1.659 678 HD3 LYS 87 2HD LYS 87 -19.393 -3.361 2.724 679 HE2 LYS 87 1HE LYS 87 -21.808 -1.944 3.768 680 HE3 LYS 87 2HE LYS 87 -22.003 -3.390 2.779 681 HZ1 LYS 87 1HZ LYS 87 -21.862 -4.352 4.807 682 HZ2 LYS 87 2HZ LYS 87 -20.923 -3.115 5.475 683 HZ3 LYS 87 3HZ LYS 87 -20.205 -4.277 4.478 684 H ARG 88 H ARG 88 -17.155 1.891 2.054 685 HA ARG 88 HA ARG 88 -18.973 3.437 3.338 686 HB2 ARG 88 1HB ARG 88 -16.848 4.467 1.447 687 HB3 ARG 88 2HB ARG 88 -17.627 5.396 2.722 688 HG2 ARG 88 1HG ARG 88 -16.160 2.874 3.371 689 HG3 ARG 88 2HG ARG 88 -15.289 4.391 3.139 690 HD2 ARG 88 1HD ARG 88 -17.651 4.325 4.959 691 HD3 ARG 88 2HD ARG 88 -16.114 3.669 5.520 692 HE ARG 88 HE ARG 88 -16.769 6.441 5.088 693 HH11 ARG 88 1HH1 ARG 88 -14.215 4.092 5.366 694 HH12 ARG 88 2HH1 ARG 88 -13.016 5.257 5.822 695 HH21 ARG 88 1HH2 ARG 88 -15.200 7.984 5.688 696 HH22 ARG 88 2HH2 ARG 88 -13.578 7.470 6.006 697 H SER 89 H SER 89 -21.000 3.825 2.704 698 HA SER 89 HA SER 89 -21.405 4.981 0.024 699 HB2 SER 89 1HB SER 89 -22.324 2.734 0.021 700 HB3 SER 89 2HB SER 89 -23.214 3.059 1.509 701 HG SER 89 HG SER 89 -24.406 4.637 0.348 702 H GLY 90 H GLY 90 -23.197 6.464 -0.166 703 HA2 GLY 90 1HA GLY 90 -24.654 7.382 2.093 704 HA3 GLY 90 2HA GLY 90 -23.270 8.424 1.798 705 HA PRO 91 HA PRO 91 -25.609 10.700 -1.127 706 HB2 PRO 91 1HB PRO 91 -23.665 11.510 -2.839 707 HB3 PRO 91 2HB PRO 91 -23.848 12.173 -1.210 708 HG2 PRO 91 1HG PRO 91 -21.963 10.067 -2.197 709 HG3 PRO 91 2HG PRO 91 -21.650 11.422 -1.097 710 HD2 PRO 91 1HD PRO 91 -22.045 8.893 -0.216 711 HD3 PRO 91 2HD PRO 91 -22.540 10.318 0.720 712 H SER 92 H SER 92 -23.818 7.924 -2.074 713 HA SER 92 HA SER 92 -24.228 7.813 -4.814 714 HB2 SER 92 1HB SER 92 -23.987 5.390 -4.609 715 HB3 SER 92 2HB SER 92 -22.837 6.204 -3.548 716 HG SER 92 HG SER 92 -23.942 4.460 -2.519 717 H SER 93 H SER 93 -26.259 8.671 -5.323 718 HA SER 93 HA SER 93 -28.677 7.532 -4.291 719 HB2 SER 93 1HB SER 93 -28.409 9.912 -5.118 720 HB3 SER 93 2HB SER 93 -28.396 9.259 -6.756 721 HG SER 93 HG SER 93 -30.488 9.402 -4.905 722 H GLY 94 H GLY 94 -29.117 5.468 -4.779 723 HA2 GLY 94 1HA GLY 94 -28.268 3.938 -6.876 724 HA3 GLY 94 2HA GLY 94 -29.816 3.697 -6.079 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -0.611 -9.960 11.247 2 HA2 GLY 1 1HA GLY 1 -0.499 -11.646 9.034 3 HA3 GLY 1 2HA GLY 1 -0.348 -10.002 8.428 4 H SER 2 H SER 2 0.962 -11.944 11.121 5 HA SER 2 HA SER 2 3.634 -10.932 10.398 6 HB2 SER 2 1HB SER 2 4.234 -10.907 12.757 7 HB3 SER 2 2HB SER 2 2.792 -9.923 12.508 8 HG SER 2 HG SER 2 2.747 -12.631 13.354 9 H SER 3 H SER 3 5.378 -12.355 10.635 10 HA SER 3 HA SER 3 6.321 -14.403 10.188 11 HB2 SER 3 1HB SER 3 6.132 -14.165 12.739 12 HB3 SER 3 2HB SER 3 4.795 -15.310 12.626 13 HG SER 3 HG SER 3 7.484 -15.727 11.820 14 H GLY 4 H GLY 4 4.031 -14.077 8.649 15 HA2 GLY 4 1HA GLY 4 2.759 -16.739 8.768 16 HA3 GLY 4 2HA GLY 4 2.019 -15.314 8.055 17 H SER 5 H SER 5 4.957 -17.302 7.703 18 HA SER 5 HA SER 5 4.717 -16.947 4.788 19 HB2 SER 5 1HB SER 5 7.212 -17.671 6.338 20 HB3 SER 5 2HB SER 5 7.107 -17.269 4.624 21 HG SER 5 HG SER 5 6.520 -15.526 6.788 22 H SER 6 H SER 6 5.434 -18.784 3.465 23 HA SER 6 HA SER 6 4.650 -21.325 4.722 24 HB2 SER 6 1HB SER 6 4.142 -22.083 2.411 25 HB3 SER 6 2HB SER 6 3.204 -20.666 2.878 26 HG SER 6 HG SER 6 4.045 -20.353 0.820 27 H GLY 7 H GLY 7 6.930 -19.976 2.342 28 HA2 GLY 7 1HA GLY 7 9.220 -20.471 2.207 29 HA3 GLY 7 2HA GLY 7 8.968 -21.829 3.295 30 H ASP 8 H ASP 8 10.265 -23.103 1.869 31 HA ASP 8 HA ASP 8 10.539 -24.698 0.270 32 HB2 ASP 8 1HB ASP 8 8.085 -25.142 1.042 33 HB3 ASP 8 2HB ASP 8 7.655 -24.449 -0.520 34 H ILE 9 H ILE 9 11.103 -22.042 -0.410 35 HA ILE 9 HA ILE 9 10.031 -21.011 -2.719 36 HB ILE 9 HB ILE 9 12.120 -19.889 -3.119 37 HG12 ILE 9 1HG1 ILE 9 13.663 -21.748 -2.946 38 HG13 ILE 9 2HG1 ILE 9 14.159 -20.489 -1.820 39 HG21 ILE 9 1HG2 ILE 9 11.691 -18.596 -1.370 40 HG22 ILE 9 2HG2 ILE 9 10.789 -19.916 -0.628 41 HG23 ILE 9 3HG2 ILE 9 12.513 -19.733 -0.302 42 HD11 ILE 9 1HD1 ILE 9 12.787 -23.085 -1.196 43 HD12 ILE 9 2HD1 ILE 9 14.395 -22.552 -0.701 44 HD13 ILE 9 3HD1 ILE 9 12.962 -21.776 -0.027 45 H VAL 10 H VAL 10 10.348 -21.280 -4.908 46 HA VAL 10 HA VAL 10 11.073 -23.929 -5.756 47 HB VAL 10 HB VAL 10 10.476 -23.158 -8.014 48 HG11 VAL 10 1HG1 VAL 10 8.748 -23.955 -6.432 49 HG12 VAL 10 2HG1 VAL 10 8.452 -22.282 -5.956 50 HG13 VAL 10 3HG1 VAL 10 8.126 -22.801 -7.610 51 HG21 VAL 10 1HG2 VAL 10 9.344 -20.616 -7.378 52 HG22 VAL 10 2HG2 VAL 10 11.050 -20.611 -6.936 53 HG23 VAL 10 3HG2 VAL 10 10.567 -21.013 -8.584 54 H ALA 11 H ALA 11 12.766 -21.049 -5.285 55 HA ALA 11 HA ALA 11 15.221 -22.121 -6.155 56 HB1 ALA 11 1HB ALA 11 14.324 -21.733 -8.386 57 HB2 ALA 11 2HB ALA 11 14.050 -20.036 -7.992 58 HB3 ALA 11 3HB ALA 11 15.694 -20.670 -8.064 59 H ARG 12 H ARG 12 17.010 -20.708 -5.758 60 HA ARG 12 HA ARG 12 16.518 -18.878 -3.617 61 HB2 ARG 12 1HB ARG 12 18.945 -19.884 -5.044 62 HB3 ARG 12 2HB ARG 12 19.084 -18.456 -4.029 63 HG2 ARG 12 1HG ARG 12 19.690 -20.300 -2.689 64 HG3 ARG 12 2HG ARG 12 18.077 -19.811 -2.167 65 HD2 ARG 12 1HD ARG 12 17.115 -21.589 -3.584 66 HD3 ARG 12 2HD ARG 12 18.746 -22.099 -4.016 67 HE ARG 12 HE ARG 12 18.446 -22.066 -1.207 68 HH11 ARG 12 1HH1 ARG 12 17.510 -23.871 -4.032 69 HH12 ARG 12 2HH1 ARG 12 17.355 -25.373 -3.181 70 HH21 ARG 12 1HH2 ARG 12 18.245 -24.036 -0.075 71 HH22 ARG 12 2HH2 ARG 12 17.771 -25.465 -0.931 72 H LEU 13 H LEU 13 16.096 -16.780 -3.751 73 HA LEU 13 HA LEU 13 16.415 -15.431 -6.321 74 HB2 LEU 13 1HB LEU 13 14.819 -14.923 -3.853 75 HB3 LEU 13 2HB LEU 13 15.179 -13.581 -4.937 76 HG LEU 13 HG LEU 13 13.760 -16.105 -5.780 77 HD11 LEU 13 1HD1 LEU 13 12.539 -13.411 -5.223 78 HD12 LEU 13 2HD1 LEU 13 12.513 -14.754 -4.083 79 HD13 LEU 13 3HD1 LEU 13 11.708 -14.907 -5.644 80 HD21 LEU 13 1HD2 LEU 13 13.185 -14.829 -7.763 81 HD22 LEU 13 2HD2 LEU 13 14.937 -14.905 -7.570 82 HD23 LEU 13 3HD2 LEU 13 14.065 -13.431 -7.143 83 H GLN 14 H GLN 14 17.040 -14.682 -2.888 84 HA GLN 14 HA GLN 14 18.586 -13.347 -1.882 85 HB2 GLN 14 1HB GLN 14 19.971 -15.164 -3.200 86 HB3 GLN 14 2HB GLN 14 20.472 -13.777 -4.159 87 HG2 GLN 14 1HG GLN 14 21.268 -12.672 -2.118 88 HG3 GLN 14 2HG GLN 14 20.806 -14.096 -1.185 89 HE21 GLN 14 1HE2 GLN 14 22.379 -15.461 -0.782 90 HE22 GLN 14 2HE2 GLN 14 23.809 -15.683 -1.726 91 H THR 15 H THR 15 16.734 -11.978 -3.451 92 HA THR 15 HA THR 15 18.223 -9.549 -3.982 93 HB THR 15 HB THR 15 16.462 -10.696 -6.155 94 HG1 THR 15 HG1 THR 15 18.214 -11.570 -6.967 95 HG21 THR 15 1HG2 THR 15 18.011 -8.775 -7.296 96 HG22 THR 15 2HG2 THR 15 17.762 -8.100 -5.687 97 HG23 THR 15 3HG2 THR 15 16.375 -8.509 -6.696 98 H GLN 16 H GLN 16 16.962 -7.683 -3.882 99 HA GLN 16 HA GLN 16 14.698 -7.782 -2.239 100 HB2 GLN 16 1HB GLN 16 15.854 -5.617 -3.981 101 HB3 GLN 16 2HB GLN 16 14.400 -5.356 -3.029 102 HG2 GLN 16 1HG GLN 16 17.062 -6.200 -1.906 103 HG3 GLN 16 2HG GLN 16 16.451 -4.547 -1.931 104 HE21 GLN 16 1HE2 GLN 16 15.329 -3.883 -0.239 105 HE22 GLN 16 2HE2 GLN 16 14.634 -4.896 0.975 106 H ALA 17 H ALA 17 12.503 -7.275 -2.669 107 HA ALA 17 HA ALA 17 11.672 -7.811 -5.447 108 HB1 ALA 17 1HB ALA 17 9.848 -8.505 -3.211 109 HB2 ALA 17 2HB ALA 17 10.063 -9.280 -4.781 110 HB3 ALA 17 3HB ALA 17 11.240 -9.550 -3.495 111 H SER 18 H SER 18 9.395 -7.034 -5.888 112 HA SER 18 HA SER 18 8.524 -4.757 -4.319 113 HB2 SER 18 1HB SER 18 9.029 -4.244 -7.233 114 HB3 SER 18 2HB SER 18 8.843 -3.085 -5.917 115 HG SER 18 HG SER 18 11.020 -3.265 -6.555 116 H ALA 19 H ALA 19 6.370 -4.396 -4.492 117 HA ALA 19 HA ALA 19 4.910 -5.869 -6.586 118 HB1 ALA 19 1HB ALA 19 4.755 -6.173 -3.725 119 HB2 ALA 19 2HB ALA 19 3.193 -5.695 -4.392 120 HB3 ALA 19 3HB ALA 19 4.007 -7.136 -5.000 121 H THR 20 H THR 20 2.488 -5.067 -6.527 122 HA THR 20 HA THR 20 2.388 -2.160 -6.163 123 HB THR 20 HB THR 20 1.038 -2.223 -8.438 124 HG1 THR 20 HG1 THR 20 2.654 -4.530 -8.473 125 HG21 THR 20 1HG2 THR 20 2.710 -0.775 -8.772 126 HG22 THR 20 2HG2 THR 20 3.630 -2.130 -9.425 127 HG23 THR 20 3HG2 THR 20 3.801 -1.684 -7.728 128 H VAL 21 H VAL 21 0.198 -1.291 -6.204 129 HA VAL 21 HA VAL 21 -1.899 -3.291 -5.719 130 HB VAL 21 HB VAL 21 -1.166 -2.628 -3.520 131 HG11 VAL 21 1HG1 VAL 21 -0.769 -0.482 -2.810 132 HG12 VAL 21 2HG1 VAL 21 -0.291 -0.357 -4.504 133 HG13 VAL 21 3HG1 VAL 21 -1.873 0.228 -3.987 134 HG21 VAL 21 1HG2 VAL 21 -3.378 -1.138 -2.996 135 HG22 VAL 21 2HG2 VAL 21 -3.808 -1.863 -4.544 136 HG23 VAL 21 3HG2 VAL 21 -3.372 -2.892 -3.179 137 H ALA 22 H ALA 22 -3.120 -2.914 -7.490 138 HA ALA 22 HA ALA 22 -3.538 -0.393 -8.681 139 HB1 ALA 22 1HB ALA 22 -5.533 -1.609 -9.753 140 HB2 ALA 22 2HB ALA 22 -3.910 -2.219 -10.080 141 HB3 ALA 22 3HB ALA 22 -4.937 -3.035 -8.902 142 H ILE 23 H ILE 23 -4.519 1.262 -7.723 143 HA ILE 23 HA ILE 23 -7.126 0.809 -6.469 144 HB ILE 23 HB ILE 23 -6.447 2.554 -4.715 145 HG12 ILE 23 1HG1 ILE 23 -3.680 1.532 -5.365 146 HG13 ILE 23 2HG1 ILE 23 -4.284 3.088 -5.924 147 HG21 ILE 23 1HG2 ILE 23 -6.648 0.720 -3.480 148 HG22 ILE 23 2HG2 ILE 23 -6.121 -0.295 -4.821 149 HG23 ILE 23 3HG2 ILE 23 -4.930 0.413 -3.732 150 HD11 ILE 23 1HD1 ILE 23 -4.235 4.009 -3.829 151 HD12 ILE 23 2HD1 ILE 23 -4.381 2.449 -3.019 152 HD13 ILE 23 3HD1 ILE 23 -2.851 2.919 -3.759 153 HA PRO 24 HA PRO 24 -8.376 4.407 -8.651 154 HB2 PRO 24 1HB PRO 24 -10.243 5.433 -6.969 155 HB3 PRO 24 2HB PRO 24 -10.509 3.969 -7.921 156 HG2 PRO 24 1HG PRO 24 -9.722 4.240 -5.046 157 HG3 PRO 24 2HG PRO 24 -10.899 3.138 -5.784 158 HD2 PRO 24 1HD PRO 24 -8.398 2.356 -5.103 159 HD3 PRO 24 2HD PRO 24 -9.269 1.670 -6.489 160 H LYS 25 H LYS 25 -7.945 6.572 -8.834 161 HA LYS 25 HA LYS 25 -5.942 7.712 -7.258 162 HB2 LYS 25 1HB LYS 25 -6.857 8.316 -9.652 163 HB3 LYS 25 2HB LYS 25 -7.858 9.452 -8.757 164 HG2 LYS 25 1HG LYS 25 -6.085 10.795 -9.195 165 HG3 LYS 25 2HG LYS 25 -5.529 10.089 -7.675 166 HD2 LYS 25 1HD LYS 25 -3.696 9.932 -9.145 167 HD3 LYS 25 2HD LYS 25 -4.393 8.312 -9.095 168 HE2 LYS 25 1HE LYS 25 -5.767 9.249 -11.160 169 HE3 LYS 25 2HE LYS 25 -4.368 10.313 -11.293 170 HZ1 LYS 25 1HZ LYS 25 -4.573 7.450 -11.755 171 HZ2 LYS 25 2HZ LYS 25 -3.161 7.973 -10.984 172 HZ3 LYS 25 3HZ LYS 25 -3.579 8.600 -12.499 173 H GLU 26 H GLU 26 -9.206 7.317 -6.558 174 HA GLU 26 HA GLU 26 -9.498 9.678 -4.918 175 HB2 GLU 26 1HB GLU 26 -11.707 9.089 -4.680 176 HB3 GLU 26 2HB GLU 26 -11.334 8.297 -6.204 177 HG2 GLU 26 1HG GLU 26 -10.737 6.281 -4.620 178 HG3 GLU 26 2HG GLU 26 -11.834 7.120 -3.525 179 H HIS 27 H HIS 27 -8.356 6.460 -4.546 180 HA HIS 27 HA HIS 27 -8.601 6.549 -1.635 181 HB2 HIS 27 1HB HIS 27 -7.671 4.371 -3.515 182 HB3 HIS 27 2HB HIS 27 -7.676 4.219 -1.760 183 HD1 HIS 27 HD1 HIS 27 -9.322 2.222 -3.236 184 HD2 HIS 27 HD2 HIS 27 -10.827 5.922 -2.091 185 HE1 HIS 27 HE1 HIS 27 -11.820 1.939 -3.163 186 H HIS 28 H HIS 28 -6.332 7.148 -4.124 187 HA HIS 28 HA HIS 28 -3.906 6.557 -2.894 188 HB2 HIS 28 1HB HIS 28 -4.751 8.552 -4.961 189 HB3 HIS 28 2HB HIS 28 -3.114 8.620 -4.313 190 HD2 HIS 28 HD2 HIS 28 -5.051 5.339 -5.372 191 HE1 HIS 28 HE1 HIS 28 -1.481 5.683 -7.640 192 HE2 HIS 28 HE2 HIS 28 -3.535 4.295 -7.190 193 H ARG 29 H ARG 29 -5.848 9.524 -2.740 194 HA ARG 29 HA ARG 29 -4.103 11.041 -1.171 195 HB2 ARG 29 1HB ARG 29 -5.953 12.480 -0.730 196 HB3 ARG 29 2HB ARG 29 -6.159 11.866 -2.365 197 HG2 ARG 29 1HG ARG 29 -7.856 10.351 -1.669 198 HG3 ARG 29 2HG ARG 29 -7.534 10.686 0.034 199 HD2 ARG 29 1HD ARG 29 -8.359 12.872 -1.841 200 HD3 ARG 29 2HD ARG 29 -9.560 11.817 -1.098 201 HE ARG 29 HE ARG 29 -8.105 13.930 0.167 202 HH11 ARG 29 1HH1 ARG 29 -9.671 10.866 0.695 203 HH12 ARG 29 2HH1 ARG 29 -9.989 11.169 2.371 204 HH21 ARG 29 1HH2 ARG 29 -8.519 14.341 2.372 205 HH22 ARG 29 2HH2 ARG 29 -9.335 13.147 3.324 206 H PHE 30 H PHE 30 -6.495 8.625 -0.284 207 HA PHE 30 HA PHE 30 -6.462 9.127 2.504 208 HB2 PHE 30 1HB PHE 30 -7.416 6.905 0.753 209 HB3 PHE 30 2HB PHE 30 -7.256 6.598 2.480 210 HD1 PHE 30 HD1 PHE 30 -8.432 8.251 4.064 211 HD2 PHE 30 HD2 PHE 30 -9.329 7.900 -0.082 212 HE1 PHE 30 HE1 PHE 30 -10.623 9.301 4.453 213 HE2 PHE 30 HE2 PHE 30 -11.521 8.951 0.300 214 HZ PHE 30 HZ PHE 30 -12.171 9.654 2.570 215 H VAL 31 H VAL 31 -4.425 7.284 0.368 216 HA VAL 31 HA VAL 31 -3.131 5.786 2.453 217 HB VAL 31 HB VAL 31 -2.277 6.242 -0.409 218 HG11 VAL 31 1HG1 VAL 31 -0.569 5.489 1.408 219 HG12 VAL 31 2HG1 VAL 31 -1.402 3.939 1.280 220 HG13 VAL 31 3HG1 VAL 31 -0.631 4.647 -0.140 221 HG21 VAL 31 1HG2 VAL 31 -4.450 5.136 -0.235 222 HG22 VAL 31 2HG2 VAL 31 -3.216 4.026 -0.832 223 HG23 VAL 31 3HG2 VAL 31 -3.754 3.929 0.845 224 H ILE 32 H ILE 32 -2.506 8.755 0.680 225 HA ILE 32 HA ILE 32 0.155 9.110 1.645 226 HB ILE 32 HB ILE 32 -1.763 11.146 0.506 227 HG12 ILE 32 1HG1 ILE 32 0.542 9.773 -0.877 228 HG13 ILE 32 2HG1 ILE 32 -1.107 9.164 -0.949 229 HG21 ILE 32 1HG2 ILE 32 1.233 11.335 0.752 230 HG22 ILE 32 2HG2 ILE 32 0.120 12.581 0.190 231 HG23 ILE 32 3HG2 ILE 32 0.100 12.080 1.880 232 HD11 ILE 32 1HD1 ILE 32 0.144 11.316 -2.420 233 HD12 ILE 32 2HD1 ILE 32 -1.352 10.439 -2.745 234 HD13 ILE 32 3HD1 ILE 32 -1.359 11.820 -1.648 235 H GLY 33 H GLY 33 -3.007 10.427 2.584 236 HA2 GLY 33 1HA GLY 33 -3.356 10.618 5.032 237 HA3 GLY 33 2HA GLY 33 -1.755 11.338 5.102 238 H LYS 34 H LYS 34 -4.396 12.380 5.939 239 HA LYS 34 HA LYS 34 -5.516 14.263 4.307 240 HB2 LYS 34 1HB LYS 34 -6.407 13.851 6.504 241 HB3 LYS 34 2HB LYS 34 -4.935 14.439 7.265 242 HG2 LYS 34 1HG LYS 34 -6.470 16.178 7.512 243 HG3 LYS 34 2HG LYS 34 -5.449 16.674 6.160 244 HD2 LYS 34 1HD LYS 34 -7.134 15.954 4.578 245 HD3 LYS 34 2HD LYS 34 -8.136 15.326 5.889 246 HE2 LYS 34 1HE LYS 34 -8.751 17.426 6.604 247 HE3 LYS 34 2HE LYS 34 -7.309 18.191 5.939 248 HZ1 LYS 34 1HZ LYS 34 -9.390 18.707 4.724 249 HZ2 LYS 34 2HZ LYS 34 -9.501 17.079 4.278 250 HZ3 LYS 34 3HZ LYS 34 -8.193 18.013 3.751 251 H ASN 35 H ASN 35 -2.762 14.841 6.501 252 HA ASN 35 HA ASN 35 -2.074 17.194 4.872 253 HB2 ASN 35 1HB ASN 35 -0.674 17.793 6.951 254 HB3 ASN 35 2HB ASN 35 -2.424 17.959 7.065 255 HD21 ASN 35 1HD2 ASN 35 -3.511 16.809 8.548 256 HD22 ASN 35 2HD2 ASN 35 -2.787 15.674 9.631 257 H GLY 36 H GLY 36 -1.342 14.139 4.816 258 HA2 GLY 36 1HA GLY 36 0.463 13.117 3.752 259 HA3 GLY 36 2HA GLY 36 1.372 14.612 3.915 260 H GLU 37 H GLU 37 -0.150 12.346 6.211 261 HA GLU 37 HA GLU 37 2.472 12.062 7.515 262 HB2 GLU 37 1HB GLU 37 1.252 11.981 9.707 263 HB3 GLU 37 2HB GLU 37 1.246 13.554 8.920 264 HG2 GLU 37 1HG GLU 37 -0.992 13.465 8.442 265 HG3 GLU 37 2HG GLU 37 -1.034 11.702 8.446 266 H LYS 38 H LYS 38 -0.048 10.562 5.992 267 HA LYS 38 HA LYS 38 -0.043 8.120 7.552 268 HB2 LYS 38 1HB LYS 38 -2.117 8.870 6.487 269 HB3 LYS 38 2HB LYS 38 -1.351 8.779 4.906 270 HG2 LYS 38 1HG LYS 38 -2.744 6.854 5.224 271 HG3 LYS 38 2HG LYS 38 -1.054 6.349 5.229 272 HD2 LYS 38 1HD LYS 38 -1.048 5.973 7.532 273 HD3 LYS 38 2HD LYS 38 -2.486 6.965 7.791 274 HE2 LYS 38 1HE LYS 38 -3.684 5.197 6.342 275 HE3 LYS 38 2HE LYS 38 -2.279 4.189 6.678 276 HZ1 LYS 38 1HZ LYS 38 -2.806 4.892 9.122 277 HZ2 LYS 38 2HZ LYS 38 -3.642 3.615 8.396 278 HZ3 LYS 38 3HZ LYS 38 -4.361 5.142 8.506 279 H LEU 39 H LEU 39 1.123 9.227 4.396 280 HA LEU 39 HA LEU 39 2.170 6.727 3.576 281 HB2 LEU 39 1HB LEU 39 1.896 8.136 1.800 282 HB3 LEU 39 2HB LEU 39 2.436 9.551 2.700 283 HG LEU 39 HG LEU 39 4.778 8.587 2.537 284 HD11 LEU 39 1HD1 LEU 39 5.263 6.879 1.038 285 HD12 LEU 39 2HD1 LEU 39 3.692 6.993 0.245 286 HD13 LEU 39 3HD1 LEU 39 3.815 6.298 1.861 287 HD21 LEU 39 1HD2 LEU 39 3.441 9.302 -0.069 288 HD22 LEU 39 2HD2 LEU 39 5.140 9.517 0.353 289 HD23 LEU 39 3HD2 LEU 39 3.899 10.469 1.171 290 H GLN 40 H GLN 40 3.707 9.597 5.012 291 HA GLN 40 HA GLN 40 6.322 8.663 5.082 292 HB2 GLN 40 1HB GLN 40 6.793 10.475 6.409 293 HB3 GLN 40 2HB GLN 40 5.247 10.982 5.740 294 HG2 GLN 40 1HG GLN 40 4.110 10.254 7.754 295 HG3 GLN 40 2HG GLN 40 5.635 9.675 8.423 296 HE21 GLN 40 1HE2 GLN 40 6.438 10.979 9.887 297 HE22 GLN 40 2HE2 GLN 40 6.322 12.702 9.898 298 H ASP 41 H ASP 41 3.679 8.164 7.367 299 HA ASP 41 HA ASP 41 5.247 6.823 9.325 300 HB2 ASP 41 1HB ASP 41 2.908 7.927 9.560 301 HB3 ASP 41 2HB ASP 41 2.294 6.384 8.975 302 H LEU 42 H LEU 42 3.132 5.698 6.707 303 HA LEU 42 HA LEU 42 3.300 2.958 7.220 304 HB2 LEU 42 1HB LEU 42 2.668 4.635 4.856 305 HB3 LEU 42 2HB LEU 42 3.028 2.933 4.571 306 HG LEU 42 HG LEU 42 0.862 3.941 6.412 307 HD11 LEU 42 1HD1 LEU 42 -0.595 3.963 4.716 308 HD12 LEU 42 2HD1 LEU 42 0.105 2.529 3.966 309 HD13 LEU 42 3HD1 LEU 42 0.834 4.111 3.691 310 HD21 LEU 42 1HD2 LEU 42 0.374 1.324 5.564 311 HD22 LEU 42 2HD2 LEU 42 0.857 1.856 7.175 312 HD23 LEU 42 3HD2 LEU 42 2.082 1.368 6.003 313 H GLU 43 H GLU 43 5.243 4.946 4.989 314 HA GLU 43 HA GLU 43 6.919 3.014 3.983 315 HB2 GLU 43 1HB GLU 43 7.233 5.929 4.525 316 HB3 GLU 43 2HB GLU 43 8.665 5.009 4.082 317 HG2 GLU 43 1HG GLU 43 7.516 4.256 2.039 318 HG3 GLU 43 2HG GLU 43 6.134 5.261 2.473 319 H LEU 44 H LEU 44 7.115 4.673 7.085 320 HA LEU 44 HA LEU 44 9.637 3.511 7.799 321 HB2 LEU 44 1HB LEU 44 7.567 5.125 9.232 322 HB3 LEU 44 2HB LEU 44 8.868 4.349 10.133 323 HG LEU 44 HG LEU 44 9.221 6.395 7.942 324 HD11 LEU 44 1HD1 LEU 44 9.644 6.650 10.915 325 HD12 LEU 44 2HD1 LEU 44 8.265 7.299 10.030 326 HD13 LEU 44 3HD1 LEU 44 9.888 7.904 9.699 327 HD21 LEU 44 1HD2 LEU 44 11.569 6.260 9.305 328 HD22 LEU 44 2HD2 LEU 44 11.239 5.426 7.786 329 HD23 LEU 44 3HD2 LEU 44 11.060 4.572 9.319 330 H LYS 45 H LYS 45 6.411 3.164 9.285 331 HA LYS 45 HA LYS 45 6.862 1.034 10.917 332 HB2 LYS 45 1HB LYS 45 4.714 2.249 10.743 333 HB3 LYS 45 2HB LYS 45 4.390 1.429 9.221 334 HG2 LYS 45 1HG LYS 45 4.727 -0.728 10.673 335 HG3 LYS 45 2HG LYS 45 4.333 0.368 12.000 336 HD2 LYS 45 1HD LYS 45 2.607 0.306 9.559 337 HD3 LYS 45 2HD LYS 45 2.436 -0.952 10.787 338 HE2 LYS 45 1HE LYS 45 2.375 1.979 11.455 339 HE3 LYS 45 2HE LYS 45 0.925 1.087 10.998 340 HZ1 LYS 45 1HZ LYS 45 2.592 -0.046 13.112 341 HZ2 LYS 45 2HZ LYS 45 0.910 -0.065 12.934 342 HZ3 LYS 45 3HZ LYS 45 1.685 1.329 13.497 343 H THR 46 H THR 46 6.383 0.961 7.435 344 HA THR 46 HA THR 46 6.637 -1.958 7.428 345 HB THR 46 HB THR 46 5.864 -1.943 5.178 346 HG1 THR 46 HG1 THR 46 6.482 0.815 5.295 347 HG21 THR 46 1HG2 THR 46 3.758 -0.534 5.347 348 HG22 THR 46 2HG2 THR 46 4.376 0.030 6.900 349 HG23 THR 46 3HG2 THR 46 4.033 -1.683 6.656 350 H ALA 47 H ALA 47 8.471 0.863 6.936 351 HA ALA 47 HA ALA 47 10.591 1.260 6.202 352 HB1 ALA 47 1HB ALA 47 11.871 -0.079 7.420 353 HB2 ALA 47 2HB ALA 47 10.609 -1.312 7.463 354 HB3 ALA 47 3HB ALA 47 11.773 -1.286 6.139 355 H THR 48 H THR 48 8.575 0.729 4.220 356 HA THR 48 HA THR 48 10.161 -0.563 2.102 357 HB THR 48 HB THR 48 8.035 -0.778 0.852 358 HG1 THR 48 HG1 THR 48 6.183 -0.498 2.597 359 HG21 THR 48 1HG2 THR 48 7.161 -2.617 2.095 360 HG22 THR 48 2HG2 THR 48 7.767 -1.956 3.614 361 HG23 THR 48 3HG2 THR 48 8.897 -2.564 2.404 362 H LYS 49 H LYS 49 9.514 0.378 -0.151 363 HA LYS 49 HA LYS 49 9.787 3.302 0.039 364 HB2 LYS 49 1HB LYS 49 10.945 1.253 -1.781 365 HB3 LYS 49 2HB LYS 49 10.587 2.833 -2.465 366 HG2 LYS 49 1HG LYS 49 12.874 2.784 -1.756 367 HG3 LYS 49 2HG LYS 49 11.969 3.870 -0.697 368 HD2 LYS 49 1HD LYS 49 13.256 2.643 0.797 369 HD3 LYS 49 2HD LYS 49 11.712 1.790 0.820 370 HE2 LYS 49 1HE LYS 49 13.162 0.030 0.590 371 HE3 LYS 49 2HE LYS 49 12.820 0.388 -1.102 372 HZ1 LYS 49 1HZ LYS 49 14.891 1.950 -0.780 373 HZ2 LYS 49 2HZ LYS 49 15.076 0.313 -1.163 374 HZ3 LYS 49 3HZ LYS 49 15.268 0.835 0.435 375 H ILE 50 H ILE 50 7.536 3.687 0.125 376 HA ILE 50 HA ILE 50 5.806 2.735 -1.965 377 HB ILE 50 HB ILE 50 5.326 4.850 0.137 378 HG12 ILE 50 1HG1 ILE 50 4.331 1.999 0.067 379 HG13 ILE 50 2HG1 ILE 50 5.788 2.488 0.927 380 HG21 ILE 50 1HG2 ILE 50 2.890 3.799 -0.611 381 HG22 ILE 50 2HG2 ILE 50 3.542 5.364 -1.098 382 HG23 ILE 50 3HG2 ILE 50 3.757 3.957 -2.139 383 HD11 ILE 50 1HD1 ILE 50 4.487 2.854 2.680 384 HD12 ILE 50 2HD1 ILE 50 3.846 4.250 1.814 385 HD13 ILE 50 3HD1 ILE 50 3.021 2.696 1.712 386 H GLN 51 H GLN 51 5.465 3.638 -3.884 387 HA GLN 51 HA GLN 51 6.234 6.456 -4.264 388 HB2 GLN 51 1HB GLN 51 7.652 4.506 -5.350 389 HB3 GLN 51 2HB GLN 51 6.360 4.531 -6.542 390 HG2 GLN 51 1HG GLN 51 7.793 7.041 -5.767 391 HG3 GLN 51 2HG GLN 51 8.462 5.938 -6.967 392 HE21 GLN 51 1HE2 GLN 51 7.626 5.897 -8.985 393 HE22 GLN 51 2HE2 GLN 51 6.352 6.929 -9.527 394 H ILE 52 H ILE 52 4.574 7.700 -4.790 395 HA ILE 52 HA ILE 52 2.249 6.463 -6.108 396 HB ILE 52 HB ILE 52 2.334 8.966 -4.420 397 HG12 ILE 52 1HG1 ILE 52 0.960 6.366 -3.758 398 HG13 ILE 52 2HG1 ILE 52 2.621 6.689 -3.274 399 HG21 ILE 52 1HG2 ILE 52 0.276 9.453 -5.116 400 HG22 ILE 52 2HG2 ILE 52 0.528 8.271 -6.400 401 HG23 ILE 52 3HG2 ILE 52 -0.267 7.789 -4.901 402 HD11 ILE 52 1HD1 ILE 52 0.909 7.143 -1.526 403 HD12 ILE 52 2HD1 ILE 52 1.946 8.517 -1.911 404 HD13 ILE 52 3HD1 ILE 52 0.299 8.450 -2.541 405 HA PRO 53 HA PRO 53 3.324 8.924 -9.643 406 HB2 PRO 53 1HB PRO 53 1.103 8.356 -11.097 407 HB3 PRO 53 2HB PRO 53 2.437 7.216 -10.898 408 HG2 PRO 53 1HG PRO 53 -0.181 7.336 -9.453 409 HG3 PRO 53 2HG PRO 53 0.678 5.925 -10.095 410 HD2 PRO 53 1HD PRO 53 0.739 6.599 -7.473 411 HD3 PRO 53 2HD PRO 53 2.107 5.816 -8.289 412 H ARG 54 H ARG 54 2.865 10.952 -10.373 413 HA ARG 54 HA ARG 54 1.543 12.794 -8.878 414 HB2 ARG 54 1HB ARG 54 2.075 12.702 -11.836 415 HB3 ARG 54 2HB ARG 54 1.266 14.081 -11.102 416 HG2 ARG 54 1HG ARG 54 3.481 14.740 -11.151 417 HG3 ARG 54 2HG ARG 54 3.291 14.132 -9.505 418 HD2 ARG 54 1HD ARG 54 4.476 12.186 -9.953 419 HD3 ARG 54 2HD ARG 54 4.224 12.317 -11.693 420 HE ARG 54 HE ARG 54 6.367 13.434 -10.193 421 HH11 ARG 54 1HH1 ARG 54 4.322 13.979 -12.956 422 HH12 ARG 54 2HH1 ARG 54 5.485 14.957 -13.789 423 HH21 ARG 54 1HH2 ARG 54 7.907 14.719 -11.279 424 HH22 ARG 54 2HH2 ARG 54 7.525 15.376 -12.834 425 HA PRO 55 HA PRO 55 -2.796 12.301 -9.315 426 HB2 PRO 55 1HB PRO 55 -3.647 14.879 -9.295 427 HB3 PRO 55 2HB PRO 55 -3.031 14.059 -7.855 428 HG2 PRO 55 1HG PRO 55 -1.629 15.952 -9.702 429 HG3 PRO 55 2HG PRO 55 -1.591 15.883 -7.931 430 HD2 PRO 55 1HD PRO 55 0.393 14.872 -9.473 431 HD3 PRO 55 2HD PRO 55 -0.054 14.165 -7.906 432 H ASP 56 H ASP 56 -0.947 13.792 -11.729 433 HA ASP 56 HA ASP 56 -3.245 14.086 -13.530 434 HB2 ASP 56 1HB ASP 56 -0.384 14.916 -14.039 435 HB3 ASP 56 2HB ASP 56 -1.811 15.384 -14.958 436 H ASP 57 H ASP 57 -0.520 12.096 -12.865 437 HA ASP 57 HA ASP 57 -0.230 10.932 -15.446 438 HB2 ASP 57 1HB ASP 57 1.350 10.913 -13.318 439 HB3 ASP 57 2HB ASP 57 0.494 9.411 -12.981 440 HA PRO 58 HA PRO 58 -3.703 8.224 -15.507 441 HB2 PRO 58 1HB PRO 58 -2.803 6.442 -17.346 442 HB3 PRO 58 2HB PRO 58 -3.346 8.069 -17.771 443 HG2 PRO 58 1HG PRO 58 -0.560 7.042 -17.394 444 HG3 PRO 58 2HG PRO 58 -1.195 8.118 -18.653 445 HD2 PRO 58 1HD PRO 58 0.187 9.035 -16.511 446 HD3 PRO 58 2HD PRO 58 -1.106 9.973 -17.287 447 H SER 59 H SER 59 -0.827 7.527 -14.068 448 HA SER 59 HA SER 59 -1.276 4.682 -13.681 449 HB2 SER 59 1HB SER 59 1.019 5.987 -13.873 450 HB3 SER 59 2HB SER 59 0.784 6.205 -12.139 451 HG SER 59 HG SER 59 0.567 3.905 -11.996 452 H ASN 60 H ASN 60 -2.663 3.991 -12.206 453 HA ASN 60 HA ASN 60 -3.040 5.596 -9.764 454 HB2 ASN 60 1HB ASN 60 -5.310 4.702 -9.637 455 HB3 ASN 60 2HB ASN 60 -5.053 5.499 -11.186 456 HD21 ASN 60 1HD2 ASN 60 -6.468 2.943 -9.828 457 HD22 ASN 60 2HD2 ASN 60 -6.411 1.816 -11.136 458 H GLN 61 H GLN 61 -1.189 3.270 -10.521 459 HA GLN 61 HA GLN 61 -1.988 1.427 -8.369 460 HB2 GLN 61 1HB GLN 61 -0.385 -0.171 -9.463 461 HB3 GLN 61 2HB GLN 61 -1.799 0.236 -10.427 462 HG2 GLN 61 1HG GLN 61 -0.530 1.694 -11.814 463 HG3 GLN 61 2HG GLN 61 0.873 1.571 -10.754 464 HE21 GLN 61 1HE2 GLN 61 -1.312 -0.875 -12.091 465 HE22 GLN 61 2HE2 GLN 61 -0.079 -1.800 -12.871 466 H ILE 62 H ILE 62 -0.896 1.585 -6.535 467 HA ILE 62 HA ILE 62 1.485 3.181 -6.351 468 HB ILE 62 HB ILE 62 -0.121 1.628 -4.341 469 HG12 ILE 62 1HG1 ILE 62 0.567 4.567 -4.531 470 HG13 ILE 62 2HG1 ILE 62 -0.915 3.853 -5.156 471 HG21 ILE 62 1HG2 ILE 62 2.155 1.325 -3.647 472 HG22 ILE 62 2HG2 ILE 62 2.507 3.034 -3.898 473 HG23 ILE 62 3HG2 ILE 62 1.412 2.539 -2.607 474 HD11 ILE 62 1HD1 ILE 62 -1.035 2.971 -2.637 475 HD12 ILE 62 2HD1 ILE 62 -0.122 4.460 -2.386 476 HD13 ILE 62 3HD1 ILE 62 -1.706 4.516 -3.158 477 H LYS 63 H LYS 63 3.548 2.507 -5.734 478 HA LYS 63 HA LYS 63 4.095 -0.344 -6.225 479 HB2 LYS 63 1HB LYS 63 5.074 1.387 -7.805 480 HB3 LYS 63 2HB LYS 63 6.072 1.923 -6.460 481 HG2 LYS 63 1HG LYS 63 7.319 -0.025 -6.436 482 HG3 LYS 63 2HG LYS 63 6.076 -0.950 -7.283 483 HD2 LYS 63 1HD LYS 63 6.670 -0.110 -9.346 484 HD3 LYS 63 2HD LYS 63 7.373 1.359 -8.662 485 HE2 LYS 63 1HE LYS 63 9.212 0.108 -9.394 486 HE3 LYS 63 2HE LYS 63 9.150 -0.171 -7.655 487 HZ1 LYS 63 1HZ LYS 63 9.308 -2.306 -8.282 488 HZ2 LYS 63 2HZ LYS 63 8.718 -2.023 -9.842 489 HZ3 LYS 63 3HZ LYS 63 7.641 -2.177 -8.546 490 H ILE 64 H ILE 64 4.996 -1.535 -4.662 491 HA ILE 64 HA ILE 64 6.121 -0.133 -2.326 492 HB ILE 64 HB ILE 64 5.321 -2.430 -1.197 493 HG12 ILE 64 1HG1 ILE 64 3.176 -1.827 -3.242 494 HG13 ILE 64 2HG1 ILE 64 4.285 -3.191 -3.337 495 HG21 ILE 64 1HG2 ILE 64 3.192 -0.385 -1.448 496 HG22 ILE 64 2HG2 ILE 64 3.881 -1.135 -0.009 497 HG23 ILE 64 3HG2 ILE 64 4.762 0.145 -0.842 498 HD11 ILE 64 1HD1 ILE 64 1.814 -2.967 -1.931 499 HD12 ILE 64 2HD1 ILE 64 2.852 -4.378 -2.150 500 HD13 ILE 64 3HD1 ILE 64 3.117 -3.291 -0.787 501 H THR 65 H THR 65 8.170 -0.617 -1.933 502 HA THR 65 HA THR 65 9.194 -3.245 -2.784 503 HB THR 65 HB THR 65 10.736 -0.648 -2.926 504 HG1 THR 65 HG1 THR 65 10.284 -0.633 -5.054 505 HG21 THR 65 1HG2 THR 65 11.422 -3.415 -3.928 506 HG22 THR 65 2HG2 THR 65 12.115 -2.644 -2.501 507 HG23 THR 65 3HG2 THR 65 12.413 -1.968 -4.102 508 H GLY 66 H GLY 66 10.747 -4.207 -1.467 509 HA2 GLY 66 1HA GLY 66 12.315 -3.369 0.501 510 HA3 GLY 66 2HA GLY 66 10.747 -3.223 1.281 511 H THR 67 H THR 67 11.257 -4.775 2.838 512 HA THR 67 HA THR 67 12.079 -7.423 2.085 513 HB THR 67 HB THR 67 11.431 -7.882 4.571 514 HG1 THR 67 HG1 THR 67 10.389 -5.580 4.441 515 HG21 THR 67 1HG2 THR 67 13.590 -5.930 4.660 516 HG22 THR 67 2HG2 THR 67 13.743 -7.051 3.308 517 HG23 THR 67 3HG2 THR 67 13.626 -7.666 4.956 518 H LYS 68 H LYS 68 10.874 -9.316 2.156 519 HA LYS 68 HA LYS 68 8.402 -9.428 1.085 520 HB2 LYS 68 1HB LYS 68 9.885 -11.383 1.565 521 HB3 LYS 68 2HB LYS 68 9.346 -11.328 3.239 522 HG2 LYS 68 1HG LYS 68 7.288 -11.506 1.103 523 HG3 LYS 68 2HG LYS 68 8.239 -12.944 1.483 524 HD2 LYS 68 1HD LYS 68 7.600 -12.679 3.865 525 HD3 LYS 68 2HD LYS 68 6.566 -11.324 3.403 526 HE2 LYS 68 1HE LYS 68 5.149 -13.208 3.548 527 HE3 LYS 68 2HE LYS 68 5.399 -12.919 1.827 528 HZ1 LYS 68 1HZ LYS 68 7.210 -14.634 1.969 529 HZ2 LYS 68 2HZ LYS 68 5.636 -15.223 2.160 530 HZ3 LYS 68 3HZ LYS 68 6.632 -15.020 3.512 531 H GLU 69 H GLU 69 9.128 -9.047 4.520 532 HA GLU 69 HA GLU 69 6.375 -9.133 5.323 533 HB2 GLU 69 1HB GLU 69 8.885 -8.276 6.767 534 HB3 GLU 69 2HB GLU 69 7.295 -8.306 7.517 535 HG2 GLU 69 1HG GLU 69 8.179 -10.318 8.180 536 HG3 GLU 69 2HG GLU 69 7.252 -10.778 6.753 537 H GLY 70 H GLY 70 8.777 -6.580 4.797 538 HA2 GLY 70 1HA GLY 70 7.300 -4.394 5.688 539 HA3 GLY 70 2HA GLY 70 8.532 -4.326 4.437 540 H ILE 71 H ILE 71 7.603 -5.500 2.308 541 HA ILE 71 HA ILE 71 5.761 -3.745 1.201 542 HB ILE 71 HB ILE 71 6.374 -6.565 0.311 543 HG12 ILE 71 1HG1 ILE 71 7.527 -3.964 -0.703 544 HG13 ILE 71 2HG1 ILE 71 8.315 -4.960 0.516 545 HG21 ILE 71 1HG2 ILE 71 4.813 -4.343 -0.914 546 HG22 ILE 71 2HG2 ILE 71 5.735 -5.424 -1.957 547 HG23 ILE 71 3HG2 ILE 71 4.484 -6.075 -0.898 548 HD11 ILE 71 1HD1 ILE 71 9.261 -5.368 -1.670 549 HD12 ILE 71 2HD1 ILE 71 8.424 -6.808 -1.087 550 HD13 ILE 71 3HD1 ILE 71 7.669 -5.782 -2.305 551 H GLU 72 H GLU 72 5.210 -7.092 2.299 552 HA GLU 72 HA GLU 72 2.524 -7.317 1.739 553 HB2 GLU 72 1HB GLU 72 4.250 -8.480 3.897 554 HB3 GLU 72 2HB GLU 72 2.521 -8.799 3.890 555 HG2 GLU 72 1HG GLU 72 4.083 -10.485 2.758 556 HG3 GLU 72 2HG GLU 72 2.614 -9.999 1.913 557 H LYS 73 H LYS 73 3.980 -6.120 4.761 558 HA LYS 73 HA LYS 73 1.679 -5.550 6.172 559 HB2 LYS 73 1HB LYS 73 4.411 -4.318 6.140 560 HB3 LYS 73 2HB LYS 73 3.146 -3.606 7.132 561 HG2 LYS 73 1HG LYS 73 2.894 -5.642 8.375 562 HG3 LYS 73 2HG LYS 73 4.010 -6.486 7.298 563 HD2 LYS 73 1HD LYS 73 5.695 -4.649 8.009 564 HD3 LYS 73 2HD LYS 73 4.587 -4.388 9.357 565 HE2 LYS 73 1HE LYS 73 5.501 -7.158 8.723 566 HE3 LYS 73 2HE LYS 73 6.588 -6.064 9.577 567 HZ1 LYS 73 1HZ LYS 73 4.395 -7.518 10.589 568 HZ2 LYS 73 2HZ LYS 73 4.112 -5.865 10.811 569 HZ3 LYS 73 3HZ LYS 73 5.518 -6.573 11.431 570 H ALA 74 H ALA 74 3.488 -3.306 4.071 571 HA ALA 74 HA ALA 74 1.644 -1.188 4.255 572 HB1 ALA 74 1HB ALA 74 3.501 -0.302 3.374 573 HB2 ALA 74 2HB ALA 74 4.001 -1.829 2.647 574 HB3 ALA 74 3HB ALA 74 2.824 -0.804 1.824 575 H ARG 75 H ARG 75 1.818 -3.988 2.152 576 HA ARG 75 HA ARG 75 -0.136 -3.090 0.282 577 HB2 ARG 75 1HB ARG 75 1.666 -5.028 0.152 578 HB3 ARG 75 2HB ARG 75 0.333 -5.999 0.762 579 HG2 ARG 75 1HG ARG 75 -0.960 -4.810 -1.215 580 HG3 ARG 75 2HG ARG 75 0.674 -4.677 -1.869 581 HD2 ARG 75 1HD ARG 75 0.976 -7.076 -1.675 582 HD3 ARG 75 2HD ARG 75 -0.611 -7.237 -0.923 583 HE ARG 75 HE ARG 75 -0.656 -6.027 -3.537 584 HH11 ARG 75 1HH1 ARG 75 -0.750 -9.005 -1.737 585 HH12 ARG 75 2HH1 ARG 75 -1.551 -9.891 -2.993 586 HH21 ARG 75 1HH2 ARG 75 -1.710 -7.182 -5.198 587 HH22 ARG 75 2HH2 ARG 75 -2.095 -8.853 -4.961 588 H HIS 76 H HIS 76 -0.241 -4.888 3.291 589 HA HIS 76 HA HIS 76 -2.974 -5.694 3.030 590 HB2 HIS 76 1HB HIS 76 -1.192 -6.808 4.472 591 HB3 HIS 76 2HB HIS 76 -1.422 -5.481 5.608 592 HD1 HIS 76 HD1 HIS 76 -3.338 -8.349 4.055 593 HD2 HIS 76 HD2 HIS 76 -3.554 -5.767 7.302 594 HE1 HIS 76 HE1 HIS 76 -5.228 -9.210 5.473 595 H GLU 77 H GLU 77 -1.308 -2.911 4.307 596 HA GLU 77 HA GLU 77 -3.630 -1.893 5.690 597 HB2 GLU 77 1HB GLU 77 -0.942 -0.650 5.086 598 HB3 GLU 77 2HB GLU 77 -2.197 0.125 6.042 599 HG2 GLU 77 1HG GLU 77 -0.954 -2.523 6.737 600 HG3 GLU 77 2HG GLU 77 -0.401 -0.974 7.368 601 H VAL 78 H VAL 78 -1.815 -1.101 2.746 602 HA VAL 78 HA VAL 78 -3.373 1.118 1.982 603 HB VAL 78 HB VAL 78 -1.101 0.443 1.058 604 HG11 VAL 78 1HG1 VAL 78 -0.908 -1.142 -0.626 605 HG12 VAL 78 2HG1 VAL 78 -2.028 -1.909 0.501 606 HG13 VAL 78 3HG1 VAL 78 -2.638 -1.141 -0.965 607 HG21 VAL 78 1HG2 VAL 78 -3.351 1.269 -0.766 608 HG22 VAL 78 2HG2 VAL 78 -2.238 2.313 0.119 609 HG23 VAL 78 3HG2 VAL 78 -1.649 1.335 -1.226 610 H LEU 79 H LEU 79 -3.844 -2.310 1.640 611 HA LEU 79 HA LEU 79 -5.940 -2.042 -0.335 612 HB2 LEU 79 1HB LEU 79 -4.652 -4.302 1.122 613 HB3 LEU 79 2HB LEU 79 -6.232 -4.554 0.381 614 HG LEU 79 HG LEU 79 -3.911 -3.502 -1.206 615 HD11 LEU 79 1HD1 LEU 79 -2.851 -5.440 -1.021 616 HD12 LEU 79 2HD1 LEU 79 -4.238 -6.224 -1.776 617 HD13 LEU 79 3HD1 LEU 79 -4.142 -6.105 -0.019 618 HD21 LEU 79 1HD2 LEU 79 -5.341 -4.933 -2.913 619 HD22 LEU 79 2HD2 LEU 79 -5.752 -3.261 -2.527 620 HD23 LEU 79 3HD2 LEU 79 -6.622 -4.584 -1.750 621 H LEU 80 H LEU 80 -5.688 -2.770 3.121 622 HA LEU 80 HA LEU 80 -8.368 -3.336 3.631 623 HB2 LEU 80 1HB LEU 80 -6.071 -2.370 5.240 624 HB3 LEU 80 2HB LEU 80 -7.680 -2.212 5.943 625 HG LEU 80 HG LEU 80 -6.507 -4.813 4.967 626 HD11 LEU 80 1HD1 LEU 80 -6.876 -4.301 7.850 627 HD12 LEU 80 2HD1 LEU 80 -5.525 -3.480 7.071 628 HD13 LEU 80 3HD1 LEU 80 -5.642 -5.238 7.009 629 HD21 LEU 80 1HD2 LEU 80 -8.571 -4.975 6.963 630 HD22 LEU 80 2HD2 LEU 80 -8.506 -5.700 5.357 631 HD23 LEU 80 3HD2 LEU 80 -9.135 -4.065 5.563 632 H ILE 81 H ILE 81 -6.672 -0.244 3.489 633 HA ILE 81 HA ILE 81 -8.862 1.332 4.376 634 HB ILE 81 HB ILE 81 -6.461 2.132 2.728 635 HG12 ILE 81 1HG1 ILE 81 -6.804 2.803 5.616 636 HG13 ILE 81 2HG1 ILE 81 -6.321 1.163 5.196 637 HG21 ILE 81 1HG2 ILE 81 -8.825 3.586 3.474 638 HG22 ILE 81 2HG2 ILE 81 -7.397 4.308 4.213 639 HG23 ILE 81 3HG2 ILE 81 -7.471 4.093 2.464 640 HD11 ILE 81 1HD1 ILE 81 -4.697 2.918 3.703 641 HD12 ILE 81 2HD1 ILE 81 -4.731 3.509 5.365 642 HD13 ILE 81 3HD1 ILE 81 -4.232 1.851 5.028 643 H SER 82 H SER 82 -7.557 0.620 1.145 644 HA SER 82 HA SER 82 -9.413 2.140 -0.311 645 HB2 SER 82 1HB SER 82 -8.799 0.503 -2.198 646 HB3 SER 82 2HB SER 82 -7.488 1.442 -1.485 647 HG SER 82 HG SER 82 -8.175 -1.194 -0.694 648 H ALA 83 H ALA 83 -9.469 -1.243 0.725 649 HA ALA 83 HA ALA 83 -11.741 -2.104 -0.614 650 HB1 ALA 83 1HB ALA 83 -10.060 -3.090 1.430 651 HB2 ALA 83 2HB ALA 83 -11.724 -3.264 1.989 652 HB3 ALA 83 3HB ALA 83 -11.230 -3.979 0.454 653 H GLU 84 H GLU 84 -11.569 -0.835 2.720 654 HA GLU 84 HA GLU 84 -14.212 -0.843 3.390 655 HB2 GLU 84 1HB GLU 84 -11.934 0.937 4.089 656 HB3 GLU 84 2HB GLU 84 -13.546 1.469 4.545 657 HG2 GLU 84 1HG GLU 84 -12.288 -1.156 5.310 658 HG3 GLU 84 2HG GLU 84 -12.430 0.261 6.349 659 H GLN 85 H GLN 85 -12.524 1.684 1.552 660 HA GLN 85 HA GLN 85 -14.539 3.528 1.264 661 HB2 GLN 85 1HB GLN 85 -12.560 2.693 -0.864 662 HB3 GLN 85 2HB GLN 85 -13.454 4.208 -0.829 663 HG2 GLN 85 1HG GLN 85 -11.340 3.298 1.108 664 HG3 GLN 85 2HG GLN 85 -11.223 4.605 -0.071 665 HE21 GLN 85 1HE2 GLN 85 -10.744 4.859 2.698 666 HE22 GLN 85 2HE2 GLN 85 -11.927 5.938 3.347 667 H ASP 86 H ASP 86 -13.935 0.684 -0.781 668 HA ASP 86 HA ASP 86 -15.986 1.057 -2.620 669 HB2 ASP 86 1HB ASP 86 -14.419 -0.632 -3.116 670 HB3 ASP 86 2HB ASP 86 -14.645 -1.419 -1.556 671 H LYS 87 H LYS 87 -16.048 -0.573 0.526 672 HA LYS 87 HA LYS 87 -18.929 -0.993 0.279 673 HB2 LYS 87 1HB LYS 87 -17.109 -2.664 1.240 674 HB3 LYS 87 2HB LYS 87 -17.397 -1.763 2.723 675 HG2 LYS 87 1HG LYS 87 -19.752 -2.319 2.641 676 HG3 LYS 87 2HG LYS 87 -19.521 -3.156 1.105 677 HD2 LYS 87 1HD LYS 87 -18.435 -4.933 2.084 678 HD3 LYS 87 2HD LYS 87 -17.879 -3.973 3.457 679 HE2 LYS 87 1HE LYS 87 -20.782 -4.610 3.020 680 HE3 LYS 87 2HE LYS 87 -19.708 -5.700 3.893 681 HZ1 LYS 87 1HZ LYS 87 -19.260 -3.981 5.489 682 HZ2 LYS 87 2HZ LYS 87 -20.934 -4.184 5.362 683 HZ3 LYS 87 3HZ LYS 87 -20.183 -2.861 4.621 684 H ARG 88 H ARG 88 -17.805 1.691 0.570 685 HA ARG 88 HA ARG 88 -17.957 2.732 3.134 686 HB2 ARG 88 1HB ARG 88 -18.520 4.888 2.042 687 HB3 ARG 88 2HB ARG 88 -17.161 4.068 1.286 688 HG2 ARG 88 1HG ARG 88 -18.336 3.587 -0.628 689 HG3 ARG 88 2HG ARG 88 -19.899 3.656 0.188 690 HD2 ARG 88 1HD ARG 88 -19.594 6.109 0.439 691 HD3 ARG 88 2HD ARG 88 -18.117 5.984 -0.514 692 HE ARG 88 HE ARG 88 -20.788 6.016 -1.500 693 HH11 ARG 88 1HH1 ARG 88 -17.611 4.719 -2.087 694 HH12 ARG 88 2HH1 ARG 88 -17.856 4.541 -3.793 695 HH21 ARG 88 1HH2 ARG 88 -21.123 5.786 -3.744 696 HH22 ARG 88 2HH2 ARG 88 -19.854 5.149 -4.735 697 H SER 89 H SER 89 -20.528 1.906 0.893 698 HA SER 89 HA SER 89 -22.472 2.409 3.040 699 HB2 SER 89 1HB SER 89 -22.566 3.327 0.189 700 HB3 SER 89 2HB SER 89 -24.072 2.958 1.030 701 HG SER 89 HG SER 89 -22.903 4.405 2.733 702 H GLY 90 H GLY 90 -22.466 1.055 -0.265 703 HA2 GLY 90 1HA GLY 90 -22.652 -1.287 -0.720 704 HA3 GLY 90 2HA GLY 90 -23.389 -1.500 0.862 705 HA PRO 91 HA PRO 91 -26.529 -0.757 -2.715 706 HB2 PRO 91 1HB PRO 91 -26.936 -3.293 -3.595 707 HB3 PRO 91 2HB PRO 91 -25.742 -2.205 -4.315 708 HG2 PRO 91 1HG PRO 91 -25.344 -4.401 -2.320 709 HG3 PRO 91 2HG PRO 91 -24.370 -3.994 -3.744 710 HD2 PRO 91 1HD PRO 91 -23.653 -3.273 -1.233 711 HD3 PRO 91 2HD PRO 91 -23.269 -2.285 -2.657 712 H SER 92 H SER 92 -26.133 -2.460 0.127 713 HA SER 92 HA SER 92 -29.042 -2.828 0.391 714 HB2 SER 92 1HB SER 92 -26.834 -4.709 1.207 715 HB3 SER 92 2HB SER 92 -28.425 -4.768 1.967 716 HG SER 92 HG SER 92 -27.636 -5.650 -0.488 717 H SER 93 H SER 93 -29.728 -1.362 1.795 718 HA SER 93 HA SER 93 -27.983 -0.301 3.841 719 HB2 SER 93 1HB SER 93 -29.957 1.136 4.394 720 HB3 SER 93 2HB SER 93 -29.448 1.253 2.711 721 HG SER 93 HG SER 93 -31.567 -0.372 3.675 722 H GLY 94 H GLY 94 -27.994 -0.773 5.965 723 HA2 GLY 94 1HA GLY 94 -29.806 -1.485 7.737 724 HA3 GLY 94 2HA GLY 94 -29.711 -2.983 6.823 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 0.685 -18.532 -10.703 2 HA2 GLY 1 1HA GLY 1 2.124 -20.995 -10.137 3 HA3 GLY 1 2HA GLY 1 2.134 -19.799 -8.850 4 H SER 2 H SER 2 -0.138 -21.467 -11.027 5 HA SER 2 HA SER 2 -2.497 -21.003 -9.719 6 HB2 SER 2 1HB SER 2 -1.633 -23.600 -11.016 7 HB3 SER 2 2HB SER 2 -3.298 -23.146 -10.654 8 HG SER 2 HG SER 2 -1.736 -21.395 -12.178 9 H SER 3 H SER 3 -2.528 -20.982 -7.528 10 HA SER 3 HA SER 3 -2.136 -23.571 -6.192 11 HB2 SER 3 1HB SER 3 -1.016 -22.545 -4.329 12 HB3 SER 3 2HB SER 3 -0.180 -22.032 -5.795 13 HG SER 3 HG SER 3 -1.846 -20.180 -5.563 14 H GLY 4 H GLY 4 -3.535 -24.021 -4.504 15 HA2 GLY 4 1HA GLY 4 -5.418 -21.998 -3.612 16 HA3 GLY 4 2HA GLY 4 -6.116 -23.305 -4.557 17 H SER 5 H SER 5 -3.556 -23.308 -2.087 18 HA SER 5 HA SER 5 -5.201 -24.506 -0.092 19 HB2 SER 5 1HB SER 5 -4.875 -26.423 -1.680 20 HB3 SER 5 2HB SER 5 -3.143 -26.324 -1.361 21 HG SER 5 HG SER 5 -4.630 -27.807 -0.047 22 H SER 6 H SER 6 -3.879 -25.219 1.815 23 HA SER 6 HA SER 6 -2.115 -23.209 2.595 24 HB2 SER 6 1HB SER 6 -1.715 -24.507 4.574 25 HB3 SER 6 2HB SER 6 -3.398 -24.764 4.114 26 HG SER 6 HG SER 6 -2.050 -26.680 4.668 27 H GLY 7 H GLY 7 0.169 -23.432 3.229 28 HA2 GLY 7 1HA GLY 7 2.287 -24.540 2.993 29 HA3 GLY 7 2HA GLY 7 1.659 -25.352 1.566 30 H ASP 8 H ASP 8 3.910 -23.271 2.389 31 HA ASP 8 HA ASP 8 3.576 -21.649 -0.049 32 HB2 ASP 8 1HB ASP 8 4.735 -20.839 2.621 33 HB3 ASP 8 2HB ASP 8 4.961 -19.901 1.148 34 H ILE 9 H ILE 9 5.530 -21.069 -1.155 35 HA ILE 9 HA ILE 9 7.296 -23.155 -1.581 36 HB ILE 9 HB ILE 9 8.642 -21.657 -2.872 37 HG12 ILE 9 1HG1 ILE 9 8.873 -19.869 -1.199 38 HG13 ILE 9 2HG1 ILE 9 8.393 -19.222 -2.765 39 HG21 ILE 9 1HG2 ILE 9 6.890 -21.896 -4.253 40 HG22 ILE 9 2HG2 ILE 9 5.719 -21.496 -2.999 41 HG23 ILE 9 3HG2 ILE 9 6.563 -20.209 -3.860 42 HD11 ILE 9 1HD1 ILE 9 6.782 -19.489 -0.263 43 HD12 ILE 9 2HD1 ILE 9 7.069 -18.064 -1.263 44 HD13 ILE 9 3HD1 ILE 9 6.001 -19.344 -1.838 45 H VAL 10 H VAL 10 9.711 -23.061 -1.303 46 HA VAL 10 HA VAL 10 10.539 -21.798 1.207 47 HB VAL 10 HB VAL 10 10.908 -24.734 0.600 48 HG11 VAL 10 1HG1 VAL 10 11.786 -24.536 3.090 49 HG12 VAL 10 2HG1 VAL 10 12.854 -24.295 1.706 50 HG13 VAL 10 3HG1 VAL 10 12.185 -22.903 2.558 51 HG21 VAL 10 1HG2 VAL 10 9.663 -23.909 3.120 52 HG22 VAL 10 2HG2 VAL 10 8.719 -23.526 1.681 53 HG23 VAL 10 3HG2 VAL 10 9.210 -25.189 1.997 54 H ALA 11 H ALA 11 12.116 -20.502 0.494 55 HA ALA 11 HA ALA 11 14.536 -21.633 -0.514 56 HB1 ALA 11 1HB ALA 11 12.973 -19.854 -2.381 57 HB2 ALA 11 2HB ALA 11 14.616 -20.442 -2.644 58 HB3 ALA 11 3HB ALA 11 13.269 -21.580 -2.600 59 H ARG 12 H ARG 12 16.268 -20.083 -0.637 60 HA ARG 12 HA ARG 12 15.818 -17.828 1.159 61 HB2 ARG 12 1HB ARG 12 18.289 -19.230 0.163 62 HB3 ARG 12 2HB ARG 12 18.378 -17.697 1.020 63 HG2 ARG 12 1HG ARG 12 18.688 -19.189 2.729 64 HG3 ARG 12 2HG ARG 12 16.942 -18.935 2.808 65 HD2 ARG 12 1HD ARG 12 16.714 -20.965 1.316 66 HD3 ARG 12 2HD ARG 12 18.428 -21.260 1.606 67 HE ARG 12 HE ARG 12 17.144 -20.956 4.076 68 HH11 ARG 12 1HH1 ARG 12 17.255 -23.168 1.389 69 HH12 ARG 12 2HH1 ARG 12 16.861 -24.556 2.347 70 HH21 ARG 12 1HH2 ARG 12 16.625 -22.777 5.348 71 HH22 ARG 12 2HH2 ARG 12 16.502 -24.333 4.598 72 H LEU 13 H LEU 13 14.966 -16.166 0.009 73 HA LEU 13 HA LEU 13 15.377 -15.455 -2.605 74 HB2 LEU 13 1HB LEU 13 14.455 -13.386 -2.103 75 HB3 LEU 13 2HB LEU 13 13.810 -14.444 -0.850 76 HG LEU 13 HG LEU 13 16.265 -12.851 -0.273 77 HD11 LEU 13 1HD1 LEU 13 13.568 -11.656 0.194 78 HD12 LEU 13 2HD1 LEU 13 14.383 -11.422 -1.351 79 HD13 LEU 13 3HD1 LEU 13 15.148 -10.876 0.140 80 HD21 LEU 13 1HD2 LEU 13 15.845 -13.448 1.836 81 HD22 LEU 13 2HD2 LEU 13 14.707 -14.612 1.156 82 HD23 LEU 13 3HD2 LEU 13 14.135 -13.036 1.702 83 H GLN 14 H GLN 14 16.572 -13.544 -3.470 84 HA GLN 14 HA GLN 14 19.224 -13.280 -2.218 85 HB2 GLN 14 1HB GLN 14 18.525 -13.766 -5.105 86 HB3 GLN 14 2HB GLN 14 20.066 -13.059 -4.637 87 HG2 GLN 14 1HG GLN 14 20.724 -15.004 -3.482 88 HG3 GLN 14 2HG GLN 14 19.095 -15.676 -3.537 89 HE21 GLN 14 1HE2 GLN 14 21.255 -17.141 -4.363 90 HE22 GLN 14 2HE2 GLN 14 21.186 -17.366 -6.074 91 H THR 15 H THR 15 16.922 -11.839 -4.504 92 HA THR 15 HA THR 15 18.028 -9.192 -3.825 93 HB THR 15 HB THR 15 16.350 -9.618 -6.266 94 HG1 THR 15 HG1 THR 15 18.322 -11.132 -6.003 95 HG21 THR 15 1HG2 THR 15 17.177 -7.611 -6.931 96 HG22 THR 15 2HG2 THR 15 18.764 -7.909 -6.224 97 HG23 THR 15 3HG2 THR 15 17.425 -7.401 -5.197 98 H GLN 16 H GLN 16 16.599 -7.484 -3.420 99 HA GLN 16 HA GLN 16 14.317 -8.081 -1.942 100 HB2 GLN 16 1HB GLN 16 15.366 -5.572 -3.201 101 HB3 GLN 16 2HB GLN 16 13.776 -5.570 -2.450 102 HG2 GLN 16 1HG GLN 16 15.010 -6.589 -0.415 103 HG3 GLN 16 2HG GLN 16 16.457 -5.954 -1.196 104 HE21 GLN 16 1HE2 GLN 16 14.033 -5.289 0.950 105 HE22 GLN 16 2HE2 GLN 16 14.147 -3.566 0.978 106 H ALA 17 H ALA 17 12.077 -7.607 -2.366 107 HA ALA 17 HA ALA 17 11.367 -8.038 -5.192 108 HB1 ALA 17 1HB ALA 17 9.232 -8.980 -4.274 109 HB2 ALA 17 2HB ALA 17 10.682 -9.909 -3.890 110 HB3 ALA 17 3HB ALA 17 9.951 -8.868 -2.668 111 H SER 18 H SER 18 9.317 -7.089 -5.912 112 HA SER 18 HA SER 18 8.416 -4.759 -4.399 113 HB2 SER 18 1HB SER 18 8.517 -3.440 -6.622 114 HB3 SER 18 2HB SER 18 10.020 -3.667 -5.727 115 HG SER 18 HG SER 18 9.497 -4.373 -8.216 116 H ALA 19 H ALA 19 6.273 -4.642 -4.416 117 HA ALA 19 HA ALA 19 4.816 -5.980 -6.603 118 HB1 ALA 19 1HB ALA 19 4.419 -6.023 -3.663 119 HB2 ALA 19 2HB ALA 19 2.981 -6.043 -4.685 120 HB3 ALA 19 3HB ALA 19 4.202 -7.304 -4.857 121 H THR 20 H THR 20 2.412 -5.149 -6.584 122 HA THR 20 HA THR 20 2.328 -2.250 -6.166 123 HB THR 20 HB THR 20 1.009 -2.309 -8.487 124 HG1 THR 20 HG1 THR 20 1.338 -4.205 -9.386 125 HG21 THR 20 1HG2 THR 20 3.884 -1.888 -7.837 126 HG22 THR 20 2HG2 THR 20 2.673 -0.737 -8.401 127 HG23 THR 20 3HG2 THR 20 3.403 -1.874 -9.534 128 H VAL 21 H VAL 21 0.191 -1.364 -6.093 129 HA VAL 21 HA VAL 21 -1.938 -3.363 -5.712 130 HB VAL 21 HB VAL 21 -1.268 -2.679 -3.507 131 HG11 VAL 21 1HG1 VAL 21 -0.760 -0.565 -2.846 132 HG12 VAL 21 2HG1 VAL 21 -0.387 -0.396 -4.562 133 HG13 VAL 21 3HG1 VAL 21 -1.933 0.177 -3.933 134 HG21 VAL 21 1HG2 VAL 21 -3.480 -1.097 -3.120 135 HG22 VAL 21 2HG2 VAL 21 -3.869 -1.958 -4.610 136 HG23 VAL 21 3HG2 VAL 21 -3.467 -2.860 -3.148 137 H ALA 22 H ALA 22 -3.282 -3.036 -7.370 138 HA ALA 22 HA ALA 22 -3.626 -0.567 -8.706 139 HB1 ALA 22 1HB ALA 22 -4.566 -1.889 -10.216 140 HB2 ALA 22 2HB ALA 22 -4.424 -3.242 -9.093 141 HB3 ALA 22 3HB ALA 22 -5.889 -2.261 -9.109 142 H ILE 23 H ILE 23 -4.539 1.168 -7.829 143 HA ILE 23 HA ILE 23 -7.127 0.869 -6.495 144 HB ILE 23 HB ILE 23 -6.328 2.695 -4.856 145 HG12 ILE 23 1HG1 ILE 23 -3.689 1.540 -5.773 146 HG13 ILE 23 2HG1 ILE 23 -4.202 3.220 -5.881 147 HG21 ILE 23 1HG2 ILE 23 -6.572 0.989 -3.462 148 HG22 ILE 23 2HG2 ILE 23 -6.281 -0.146 -4.778 149 HG23 ILE 23 3HG2 ILE 23 -4.928 0.462 -3.824 150 HD11 ILE 23 1HD1 ILE 23 -3.397 3.638 -3.867 151 HD12 ILE 23 2HD1 ILE 23 -4.349 2.329 -3.165 152 HD13 ILE 23 3HD1 ILE 23 -2.750 1.997 -3.831 153 HA PRO 24 HA PRO 24 -8.300 4.407 -8.814 154 HB2 PRO 24 1HB PRO 24 -10.070 5.595 -7.134 155 HB3 PRO 24 2HB PRO 24 -10.425 4.096 -8.000 156 HG2 PRO 24 1HG PRO 24 -9.538 4.482 -5.167 157 HG3 PRO 24 2HG PRO 24 -10.781 3.394 -5.811 158 HD2 PRO 24 1HD PRO 24 -8.293 2.542 -5.165 159 HD3 PRO 24 2HD PRO 24 -9.235 1.822 -6.486 160 H LYS 25 H LYS 25 -7.937 6.609 -9.065 161 HA LYS 25 HA LYS 25 -5.814 7.722 -7.555 162 HB2 LYS 25 1HB LYS 25 -7.666 8.894 -9.628 163 HB3 LYS 25 2HB LYS 25 -6.357 9.811 -8.895 164 HG2 LYS 25 1HG LYS 25 -4.950 7.705 -9.681 165 HG3 LYS 25 2HG LYS 25 -6.258 7.599 -10.860 166 HD2 LYS 25 1HD LYS 25 -5.008 10.257 -10.408 167 HD3 LYS 25 2HD LYS 25 -4.079 9.049 -11.302 168 HE2 LYS 25 1HE LYS 25 -6.898 9.877 -11.980 169 HE3 LYS 25 2HE LYS 25 -5.456 10.551 -12.738 170 HZ1 LYS 25 1HZ LYS 25 -4.884 8.368 -13.556 171 HZ2 LYS 25 2HZ LYS 25 -6.447 8.770 -14.059 172 HZ3 LYS 25 3HZ LYS 25 -6.224 7.682 -12.783 173 H GLU 26 H GLU 26 -8.967 7.372 -6.724 174 HA GLU 26 HA GLU 26 -9.205 9.930 -5.331 175 HB2 GLU 26 1HB GLU 26 -11.473 9.495 -5.093 176 HB3 GLU 26 2HB GLU 26 -11.107 8.742 -6.640 177 HG2 GLU 26 1HG GLU 26 -11.003 6.566 -5.596 178 HG3 GLU 26 2HG GLU 26 -11.263 7.288 -4.010 179 H HIS 27 H HIS 27 -8.370 6.647 -4.762 180 HA HIS 27 HA HIS 27 -8.804 6.820 -1.892 181 HB2 HIS 27 1HB HIS 27 -7.814 4.632 -3.715 182 HB3 HIS 27 2HB HIS 27 -7.747 4.486 -1.961 183 HD1 HIS 27 HD1 HIS 27 -9.433 2.487 -3.444 184 HD2 HIS 27 HD2 HIS 27 -10.923 6.122 -2.091 185 HE1 HIS 27 HE1 HIS 27 -11.920 2.164 -3.251 186 H HIS 28 H HIS 28 -6.218 7.066 -4.209 187 HA HIS 28 HA HIS 28 -3.938 6.579 -2.849 188 HB2 HIS 28 1HB HIS 28 -4.596 8.883 -4.677 189 HB3 HIS 28 2HB HIS 28 -2.972 8.627 -4.047 190 HD2 HIS 28 HD2 HIS 28 -4.733 5.356 -4.991 191 HE1 HIS 28 HE1 HIS 28 -2.180 6.386 -8.219 192 HE2 HIS 28 HE2 HIS 28 -3.711 4.635 -7.255 193 H ARG 29 H ARG 29 -5.867 9.549 -2.560 194 HA ARG 29 HA ARG 29 -4.271 10.965 -0.807 195 HB2 ARG 29 1HB ARG 29 -6.236 12.205 -0.191 196 HB3 ARG 29 2HB ARG 29 -6.351 11.806 -1.899 197 HG2 ARG 29 1HG ARG 29 -7.813 9.881 -1.267 198 HG3 ARG 29 2HG ARG 29 -7.813 10.506 0.383 199 HD2 ARG 29 1HD ARG 29 -9.794 11.199 -0.943 200 HD3 ARG 29 2HD ARG 29 -8.844 12.552 -0.332 201 HE ARG 29 HE ARG 29 -7.967 11.911 -2.920 202 HH11 ARG 29 1HH1 ARG 29 -10.721 13.272 -1.283 203 HH12 ARG 29 2HH1 ARG 29 -11.200 14.253 -2.627 204 HH21 ARG 29 1HH2 ARG 29 -8.587 13.199 -4.698 205 HH22 ARG 29 2HH2 ARG 29 -9.986 14.211 -4.570 206 H PHE 30 H PHE 30 -6.783 8.573 -0.040 207 HA PHE 30 HA PHE 30 -6.656 8.744 2.740 208 HB2 PHE 30 1HB PHE 30 -7.436 6.544 0.849 209 HB3 PHE 30 2HB PHE 30 -7.408 6.260 2.586 210 HD1 PHE 30 HD1 PHE 30 -8.964 7.423 4.064 211 HD2 PHE 30 HD2 PHE 30 -9.112 7.923 -0.161 212 HE1 PHE 30 HE1 PHE 30 -11.214 8.398 4.261 213 HE2 PHE 30 HE2 PHE 30 -11.362 8.900 0.030 214 HZ PHE 30 HZ PHE 30 -12.416 9.139 2.244 215 H VAL 31 H VAL 31 -4.479 7.303 0.475 216 HA VAL 31 HA VAL 31 -3.128 5.669 2.441 217 HB VAL 31 HB VAL 31 -2.249 6.351 -0.366 218 HG11 VAL 31 1HG1 VAL 31 -1.478 3.856 1.057 219 HG12 VAL 31 2HG1 VAL 31 -0.603 4.775 -0.170 220 HG13 VAL 31 3HG1 VAL 31 -0.662 5.358 1.495 221 HG21 VAL 31 1HG2 VAL 31 -3.261 4.296 -1.078 222 HG22 VAL 31 2HG2 VAL 31 -3.727 3.898 0.575 223 HG23 VAL 31 3HG2 VAL 31 -4.484 5.260 -0.251 224 H ILE 32 H ILE 32 -2.616 8.744 0.800 225 HA ILE 32 HA ILE 32 0.018 9.162 1.805 226 HB ILE 32 HB ILE 32 -1.935 11.242 0.820 227 HG12 ILE 32 1HG1 ILE 32 0.195 9.800 -0.766 228 HG13 ILE 32 2HG1 ILE 32 -1.504 9.342 -0.780 229 HG21 ILE 32 1HG2 ILE 32 1.071 11.260 1.047 230 HG22 ILE 32 2HG2 ILE 32 0.098 12.526 0.302 231 HG23 ILE 32 3HG2 ILE 32 -0.060 12.193 2.027 232 HD11 ILE 32 1HD1 ILE 32 -2.010 11.673 -1.562 233 HD12 ILE 32 2HD1 ILE 32 -0.272 11.891 -1.774 234 HD13 ILE 32 3HD1 ILE 32 -1.126 10.656 -2.700 235 H GLY 33 H GLY 33 -3.214 10.119 2.860 236 HA2 GLY 33 1HA GLY 33 -3.521 10.220 5.307 237 HA3 GLY 33 2HA GLY 33 -1.997 11.091 5.372 238 H LYS 34 H LYS 34 -3.893 12.334 6.641 239 HA LYS 34 HA LYS 34 -5.613 13.970 5.095 240 HB2 LYS 34 1HB LYS 34 -5.621 13.380 7.657 241 HB3 LYS 34 2HB LYS 34 -4.619 14.820 7.787 242 HG2 LYS 34 1HG LYS 34 -7.192 14.970 6.292 243 HG3 LYS 34 2HG LYS 34 -7.209 14.971 8.057 244 HD2 LYS 34 1HD LYS 34 -5.576 16.867 7.987 245 HD3 LYS 34 2HD LYS 34 -5.803 16.922 6.237 246 HE2 LYS 34 1HE LYS 34 -7.227 18.570 7.230 247 HE3 LYS 34 2HE LYS 34 -8.240 17.257 6.632 248 HZ1 LYS 34 1HZ LYS 34 -8.015 18.263 9.261 249 HZ2 LYS 34 2HZ LYS 34 -7.587 16.626 9.249 250 HZ3 LYS 34 3HZ LYS 34 -9.095 17.111 8.654 251 H ASN 35 H ASN 35 -2.671 14.854 6.917 252 HA ASN 35 HA ASN 35 -2.314 17.108 5.058 253 HB2 ASN 35 1HB ASN 35 -0.937 16.882 7.722 254 HB3 ASN 35 2HB ASN 35 -1.277 18.327 6.774 255 HD21 ASN 35 1HD2 ASN 35 -3.642 18.779 6.449 256 HD22 ASN 35 2HD2 ASN 35 -4.674 18.542 7.814 257 H GLY 36 H GLY 36 -1.363 14.110 5.162 258 HA2 GLY 36 1HA GLY 36 0.405 13.230 3.867 259 HA3 GLY 36 2HA GLY 36 1.286 14.735 4.091 260 H GLU 37 H GLU 37 -0.137 12.341 6.319 261 HA GLU 37 HA GLU 37 2.523 12.067 7.553 262 HB2 GLU 37 1HB GLU 37 0.061 11.771 9.216 263 HB3 GLU 37 2HB GLU 37 1.682 12.254 9.695 264 HG2 GLU 37 1HG GLU 37 1.132 14.349 8.195 265 HG3 GLU 37 2HG GLU 37 -0.528 13.879 8.561 266 H LYS 38 H LYS 38 -0.481 10.579 6.602 267 HA LYS 38 HA LYS 38 -0.242 8.075 7.783 268 HB2 LYS 38 1HB LYS 38 -2.230 8.902 6.533 269 HB3 LYS 38 2HB LYS 38 -1.344 8.669 5.031 270 HG2 LYS 38 1HG LYS 38 -2.755 6.795 5.286 271 HG3 LYS 38 2HG LYS 38 -1.119 6.246 5.661 272 HD2 LYS 38 1HD LYS 38 -1.732 6.741 8.106 273 HD3 LYS 38 2HD LYS 38 -3.402 6.785 7.537 274 HE2 LYS 38 1HE LYS 38 -3.222 4.580 8.134 275 HE3 LYS 38 2HE LYS 38 -2.752 4.492 6.437 276 HZ1 LYS 38 1HZ LYS 38 -0.418 5.000 7.751 277 HZ2 LYS 38 2HZ LYS 38 -0.920 3.495 7.166 278 HZ3 LYS 38 3HZ LYS 38 -1.214 3.916 8.778 279 H LEU 39 H LEU 39 0.565 8.783 4.380 280 HA LEU 39 HA LEU 39 1.904 6.464 3.787 281 HB2 LEU 39 1HB LEU 39 1.574 7.797 1.955 282 HB3 LEU 39 2HB LEU 39 2.086 9.260 2.793 283 HG LEU 39 HG LEU 39 4.448 8.320 2.665 284 HD11 LEU 39 1HD1 LEU 39 3.435 6.007 2.006 285 HD12 LEU 39 2HD1 LEU 39 4.955 6.547 1.293 286 HD13 LEU 39 3HD1 LEU 39 3.454 6.684 0.377 287 HD21 LEU 39 1HD2 LEU 39 4.818 9.290 0.550 288 HD22 LEU 39 2HD2 LEU 39 3.419 10.132 1.218 289 HD23 LEU 39 3HD2 LEU 39 3.194 8.885 -0.008 290 H GLN 40 H GLN 40 3.244 9.407 5.240 291 HA GLN 40 HA GLN 40 5.921 8.738 5.299 292 HB2 GLN 40 1HB GLN 40 4.480 10.140 7.548 293 HB3 GLN 40 2HB GLN 40 6.168 10.312 7.091 294 HG2 GLN 40 1HG GLN 40 3.759 11.245 5.554 295 HG3 GLN 40 2HG GLN 40 4.977 12.240 6.350 296 HE21 GLN 40 1HE2 GLN 40 7.307 11.238 5.578 297 HE22 GLN 40 2HE2 GLN 40 7.488 11.302 3.861 298 H ASP 41 H ASP 41 3.548 8.149 7.896 299 HA ASP 41 HA ASP 41 5.247 6.666 9.550 300 HB2 ASP 41 1HB ASP 41 2.856 7.647 9.973 301 HB3 ASP 41 2HB ASP 41 2.312 6.068 9.414 302 H LEU 42 H LEU 42 3.130 5.659 6.911 303 HA LEU 42 HA LEU 42 3.329 2.889 7.260 304 HB2 LEU 42 1HB LEU 42 2.660 4.699 5.007 305 HB3 LEU 42 2HB LEU 42 3.037 3.021 4.620 306 HG LEU 42 HG LEU 42 0.840 3.956 6.467 307 HD11 LEU 42 1HD1 LEU 42 -0.577 3.908 4.741 308 HD12 LEU 42 2HD1 LEU 42 0.147 2.449 4.066 309 HD13 LEU 42 3HD1 LEU 42 0.864 4.024 3.731 310 HD21 LEU 42 1HD2 LEU 42 0.911 1.896 7.295 311 HD22 LEU 42 2HD2 LEU 42 2.141 1.404 6.132 312 HD23 LEU 42 3HD2 LEU 42 0.432 1.307 5.704 313 H GLU 43 H GLU 43 5.191 5.009 5.078 314 HA GLU 43 HA GLU 43 6.909 3.140 4.010 315 HB2 GLU 43 1HB GLU 43 7.110 6.062 4.555 316 HB3 GLU 43 2HB GLU 43 8.580 5.207 4.106 317 HG2 GLU 43 1HG GLU 43 7.513 4.435 2.054 318 HG3 GLU 43 2HG GLU 43 6.031 5.277 2.505 319 H LEU 44 H LEU 44 7.151 4.833 7.099 320 HA LEU 44 HA LEU 44 9.715 3.755 7.759 321 HB2 LEU 44 1HB LEU 44 7.595 5.217 9.295 322 HB3 LEU 44 2HB LEU 44 9.009 4.545 10.105 323 HG LEU 44 HG LEU 44 9.270 6.469 7.811 324 HD11 LEU 44 1HD1 LEU 44 9.730 7.769 10.287 325 HD12 LEU 44 2HD1 LEU 44 8.128 7.036 10.346 326 HD13 LEU 44 3HD1 LEU 44 8.537 8.154 9.046 327 HD21 LEU 44 1HD2 LEU 44 11.048 5.169 9.762 328 HD22 LEU 44 2HD2 LEU 44 11.344 6.887 9.497 329 HD23 LEU 44 3HD2 LEU 44 11.383 5.765 8.136 330 H LYS 45 H LYS 45 6.558 3.254 9.344 331 HA LYS 45 HA LYS 45 7.142 1.124 10.926 332 HB2 LYS 45 1HB LYS 45 4.905 2.353 10.584 333 HB3 LYS 45 2HB LYS 45 4.592 1.163 9.327 334 HG2 LYS 45 1HG LYS 45 4.533 -0.606 10.855 335 HG3 LYS 45 2HG LYS 45 5.320 0.344 12.118 336 HD2 LYS 45 1HD LYS 45 3.046 0.233 12.732 337 HD3 LYS 45 2HD LYS 45 3.273 1.847 12.055 338 HE2 LYS 45 1HE LYS 45 2.269 1.196 9.988 339 HE3 LYS 45 2HE LYS 45 2.247 -0.500 10.469 340 HZ1 LYS 45 1HZ LYS 45 0.808 0.438 12.415 341 HZ2 LYS 45 2HZ LYS 45 0.107 0.109 10.912 342 HZ3 LYS 45 3HZ LYS 45 0.506 1.699 11.328 343 H THR 46 H THR 46 6.446 1.036 7.466 344 HA THR 46 HA THR 46 6.853 -1.856 7.408 345 HB THR 46 HB THR 46 6.100 -1.791 5.118 346 HG1 THR 46 HG1 THR 46 6.602 0.945 5.411 347 HG21 THR 46 1HG2 THR 46 4.438 -0.076 6.961 348 HG22 THR 46 2HG2 THR 46 4.306 -1.815 6.697 349 HG23 THR 46 3HG2 THR 46 3.860 -0.691 5.413 350 H ALA 47 H ALA 47 8.556 1.055 6.835 351 HA ALA 47 HA ALA 47 10.645 1.523 6.060 352 HB1 ALA 47 1HB ALA 47 12.005 0.260 7.274 353 HB2 ALA 47 2HB ALA 47 10.800 -1.025 7.360 354 HB3 ALA 47 3HB ALA 47 11.934 -0.970 6.011 355 H THR 48 H THR 48 8.596 0.834 4.140 356 HA THR 48 HA THR 48 10.198 -0.407 2.005 357 HB THR 48 HB THR 48 8.084 -0.790 0.815 358 HG1 THR 48 HG1 THR 48 6.662 -0.038 3.135 359 HG21 THR 48 1HG2 THR 48 7.132 -2.482 2.345 360 HG22 THR 48 2HG2 THR 48 8.090 -1.804 3.660 361 HG23 THR 48 3HG2 THR 48 8.892 -2.550 2.278 362 H LYS 49 H LYS 49 9.411 0.461 -0.250 363 HA LYS 49 HA LYS 49 9.565 3.397 -0.117 364 HB2 LYS 49 1HB LYS 49 10.777 1.372 -1.926 365 HB3 LYS 49 2HB LYS 49 10.313 2.911 -2.638 366 HG2 LYS 49 1HG LYS 49 11.905 2.961 -0.133 367 HG3 LYS 49 2HG LYS 49 12.718 2.502 -1.632 368 HD2 LYS 49 1HD LYS 49 11.060 5.001 -1.342 369 HD3 LYS 49 2HD LYS 49 12.801 4.954 -1.058 370 HE2 LYS 49 1HE LYS 49 12.927 3.911 -3.414 371 HE3 LYS 49 2HE LYS 49 11.291 4.534 -3.615 372 HZ1 LYS 49 1HZ LYS 49 12.907 6.102 -4.449 373 HZ2 LYS 49 2HZ LYS 49 13.699 6.141 -2.955 374 HZ3 LYS 49 3HZ LYS 49 12.129 6.753 -3.095 375 H ILE 50 H ILE 50 7.339 3.769 -0.020 376 HA ILE 50 HA ILE 50 5.605 2.687 -2.070 377 HB ILE 50 HB ILE 50 5.020 4.734 0.072 378 HG12 ILE 50 1HG1 ILE 50 4.194 1.835 0.032 379 HG13 ILE 50 2HG1 ILE 50 5.691 2.371 0.787 380 HG21 ILE 50 1HG2 ILE 50 3.576 4.500 -2.120 381 HG22 ILE 50 2HG2 ILE 50 2.916 3.109 -1.261 382 HG23 ILE 50 3HG2 ILE 50 2.817 4.716 -0.543 383 HD11 ILE 50 1HD1 ILE 50 3.097 2.312 1.884 384 HD12 ILE 50 2HD1 ILE 50 4.590 2.881 2.629 385 HD13 ILE 50 3HD1 ILE 50 3.568 4.003 1.733 386 H GLN 51 H GLN 51 5.305 3.578 -3.994 387 HA GLN 51 HA GLN 51 5.884 6.449 -4.319 388 HB2 GLN 51 1HB GLN 51 7.325 4.574 -5.498 389 HB3 GLN 51 2HB GLN 51 5.985 4.571 -6.638 390 HG2 GLN 51 1HG GLN 51 6.341 6.845 -7.199 391 HG3 GLN 51 2HG GLN 51 7.476 7.062 -5.868 392 HE21 GLN 51 1HE2 GLN 51 6.995 5.148 -8.809 393 HE22 GLN 51 2HE2 GLN 51 8.662 5.098 -9.257 394 H ILE 52 H ILE 52 4.186 7.661 -4.798 395 HA ILE 52 HA ILE 52 1.838 6.369 -6.023 396 HB ILE 52 HB ILE 52 1.903 8.885 -4.354 397 HG12 ILE 52 1HG1 ILE 52 0.734 6.219 -3.570 398 HG13 ILE 52 2HG1 ILE 52 2.392 6.663 -3.180 399 HG21 ILE 52 1HG2 ILE 52 -0.585 8.516 -4.324 400 HG22 ILE 52 2HG2 ILE 52 0.089 9.004 -5.878 401 HG23 ILE 52 3HG2 ILE 52 -0.346 7.319 -5.596 402 HD11 ILE 52 1HD1 ILE 52 1.381 7.323 -1.268 403 HD12 ILE 52 2HD1 ILE 52 1.172 8.805 -2.201 404 HD13 ILE 52 3HD1 ILE 52 -0.158 7.657 -2.062 405 HA PRO 53 HA PRO 53 2.763 8.886 -9.572 406 HB2 PRO 53 1HB PRO 53 0.568 8.180 -11.005 407 HB3 PRO 53 2HB PRO 53 1.976 7.128 -10.824 408 HG2 PRO 53 1HG PRO 53 -0.630 7.075 -9.352 409 HG3 PRO 53 2HG PRO 53 0.312 5.723 -10.008 410 HD2 PRO 53 1HD PRO 53 0.356 6.392 -7.384 411 HD3 PRO 53 2HD PRO 53 1.763 5.702 -8.217 412 H ARG 54 H ARG 54 2.134 10.865 -10.341 413 HA ARG 54 HA ARG 54 0.649 12.579 -8.784 414 HB2 ARG 54 1HB ARG 54 1.578 12.619 -11.609 415 HB3 ARG 54 2HB ARG 54 0.366 13.805 -11.143 416 HG2 ARG 54 1HG ARG 54 1.832 14.613 -9.365 417 HG3 ARG 54 2HG ARG 54 3.047 13.420 -9.827 418 HD2 ARG 54 1HD ARG 54 3.815 15.267 -10.951 419 HD3 ARG 54 2HD ARG 54 2.795 14.533 -12.186 420 HE ARG 54 HE ARG 54 1.461 16.378 -12.097 421 HH11 ARG 54 1HH1 ARG 54 3.307 16.199 -9.150 422 HH12 ARG 54 2HH1 ARG 54 2.740 17.723 -8.549 423 HH21 ARG 54 1HH2 ARG 54 0.708 18.384 -11.317 424 HH22 ARG 54 2HH2 ARG 54 1.261 18.965 -9.783 425 HA PRO 55 HA PRO 55 -3.619 11.921 -9.552 426 HB2 PRO 55 1HB PRO 55 -4.596 14.450 -9.700 427 HB3 PRO 55 2HB PRO 55 -4.050 13.717 -8.187 428 HG2 PRO 55 1HG PRO 55 -2.608 15.611 -10.002 429 HG3 PRO 55 2HG PRO 55 -2.700 15.610 -8.231 430 HD2 PRO 55 1HD PRO 55 -0.558 14.647 -9.580 431 HD3 PRO 55 2HD PRO 55 -1.086 13.976 -8.024 432 H ASP 56 H ASP 56 -1.831 13.879 -11.808 433 HA ASP 56 HA ASP 56 -3.948 13.800 -13.801 434 HB2 ASP 56 1HB ASP 56 -1.249 15.103 -13.642 435 HB3 ASP 56 2HB ASP 56 -2.059 14.933 -15.197 436 H ASP 57 H ASP 57 -1.008 12.146 -12.990 437 HA ASP 57 HA ASP 57 -0.426 10.980 -15.482 438 HB2 ASP 57 1HB ASP 57 0.892 11.023 -13.182 439 HB3 ASP 57 2HB ASP 57 0.102 9.464 -12.966 440 HA PRO 58 HA PRO 58 -3.679 8.055 -15.979 441 HB2 PRO 58 1HB PRO 58 -2.451 6.360 -17.708 442 HB3 PRO 58 2HB PRO 58 -3.043 7.955 -18.185 443 HG2 PRO 58 1HG PRO 58 -0.263 7.101 -17.480 444 HG3 PRO 58 2HG PRO 58 -0.809 8.152 -18.798 445 HD2 PRO 58 1HD PRO 58 0.242 9.124 -16.501 446 HD3 PRO 58 2HD PRO 58 -1.006 9.989 -17.421 447 H SER 59 H SER 59 -0.967 7.525 -14.202 448 HA SER 59 HA SER 59 -1.387 4.653 -13.843 449 HB2 SER 59 1HB SER 59 0.725 6.520 -12.739 450 HB3 SER 59 2HB SER 59 0.643 4.793 -12.394 451 HG SER 59 HG SER 59 1.521 4.414 -14.258 452 H ASN 60 H ASN 60 -2.498 3.831 -12.195 453 HA ASN 60 HA ASN 60 -3.055 5.558 -9.875 454 HB2 ASN 60 1HB ASN 60 -5.314 4.700 -9.761 455 HB3 ASN 60 2HB ASN 60 -5.036 5.350 -11.373 456 HD21 ASN 60 1HD2 ASN 60 -6.534 2.973 -9.857 457 HD22 ASN 60 2HD2 ASN 60 -6.427 1.711 -11.034 458 H GLN 61 H GLN 61 -1.306 3.066 -10.714 459 HA GLN 61 HA GLN 61 -2.051 1.337 -8.461 460 HB2 GLN 61 1HB GLN 61 -0.089 0.770 -10.688 461 HB3 GLN 61 2HB GLN 61 -0.683 -0.374 -9.492 462 HG2 GLN 61 1HG GLN 61 -3.015 0.227 -10.478 463 HG3 GLN 61 2HG GLN 61 -2.073 0.781 -11.862 464 HE21 GLN 61 1HE2 GLN 61 -1.946 -1.992 -9.644 465 HE22 GLN 61 2HE2 GLN 61 -1.855 -3.193 -10.883 466 H ILE 62 H ILE 62 -0.934 1.465 -6.638 467 HA ILE 62 HA ILE 62 1.443 3.086 -6.484 468 HB ILE 62 HB ILE 62 -0.185 1.595 -4.447 469 HG12 ILE 62 1HG1 ILE 62 0.567 4.516 -4.674 470 HG13 ILE 62 2HG1 ILE 62 -0.925 3.827 -5.306 471 HG21 ILE 62 1HG2 ILE 62 1.370 2.539 -2.729 472 HG22 ILE 62 2HG2 ILE 62 2.055 1.246 -3.711 473 HG23 ILE 62 3HG2 ILE 62 2.486 2.924 -4.039 474 HD11 ILE 62 1HD1 ILE 62 -1.170 2.989 -2.818 475 HD12 ILE 62 2HD1 ILE 62 -0.118 4.370 -2.509 476 HD13 ILE 62 3HD1 ILE 62 -1.670 4.606 -3.311 477 H LYS 63 H LYS 63 3.499 2.414 -5.829 478 HA LYS 63 HA LYS 63 4.037 -0.447 -6.277 479 HB2 LYS 63 1HB LYS 63 5.049 1.188 -7.892 480 HB3 LYS 63 2HB LYS 63 5.978 1.853 -6.555 481 HG2 LYS 63 1HG LYS 63 6.829 -0.552 -6.229 482 HG3 LYS 63 2HG LYS 63 6.211 -0.830 -7.859 483 HD2 LYS 63 1HD LYS 63 7.568 1.273 -8.490 484 HD3 LYS 63 2HD LYS 63 8.404 1.007 -6.957 485 HE2 LYS 63 1HE LYS 63 9.210 -1.099 -7.651 486 HE3 LYS 63 2HE LYS 63 8.102 -1.159 -9.021 487 HZ1 LYS 63 1HZ LYS 63 10.701 -0.289 -9.057 488 HZ2 LYS 63 2HZ LYS 63 9.789 1.133 -9.138 489 HZ3 LYS 63 3HZ LYS 63 9.556 -0.087 -10.287 490 H ILE 64 H ILE 64 5.005 -1.621 -4.727 491 HA ILE 64 HA ILE 64 6.099 -0.197 -2.393 492 HB ILE 64 HB ILE 64 5.256 -2.453 -1.219 493 HG12 ILE 64 1HG1 ILE 64 3.134 -1.867 -3.294 494 HG13 ILE 64 2HG1 ILE 64 4.220 -3.252 -3.345 495 HG21 ILE 64 1HG2 ILE 64 3.587 -1.167 -0.190 496 HG22 ILE 64 2HG2 ILE 64 4.806 0.002 -0.695 497 HG23 ILE 64 3HG2 ILE 64 3.327 -0.191 -1.637 498 HD11 ILE 64 1HD1 ILE 64 1.736 -2.988 -2.009 499 HD12 ILE 64 2HD1 ILE 64 2.801 -4.391 -2.099 500 HD13 ILE 64 3HD1 ILE 64 2.997 -3.218 -0.797 501 H THR 65 H THR 65 8.185 -0.627 -2.191 502 HA THR 65 HA THR 65 9.142 -3.330 -2.875 503 HB THR 65 HB THR 65 10.697 -0.759 -3.222 504 HG1 THR 65 HG1 THR 65 8.836 -1.449 -4.743 505 HG21 THR 65 1HG2 THR 65 11.366 -3.553 -4.151 506 HG22 THR 65 2HG2 THR 65 12.024 -2.811 -2.693 507 HG23 THR 65 3HG2 THR 65 12.377 -2.115 -4.273 508 H GLY 66 H GLY 66 10.662 -4.263 -1.525 509 HA2 GLY 66 1HA GLY 66 12.303 -3.262 0.352 510 HA3 GLY 66 2HA GLY 66 10.745 -3.171 1.160 511 H THR 67 H THR 67 11.173 -4.675 2.735 512 HA THR 67 HA THR 67 12.180 -7.294 2.047 513 HB THR 67 HB THR 67 11.894 -7.806 4.448 514 HG1 THR 67 HG1 THR 67 11.212 -6.051 5.812 515 HG21 THR 67 1HG2 THR 67 13.979 -6.807 3.762 516 HG22 THR 67 2HG2 THR 67 13.500 -6.110 5.309 517 HG23 THR 67 3HG2 THR 67 13.271 -5.194 3.820 518 H LYS 68 H LYS 68 11.059 -9.202 2.011 519 HA LYS 68 HA LYS 68 8.572 -9.424 1.023 520 HB2 LYS 68 1HB LYS 68 10.342 -11.245 1.726 521 HB3 LYS 68 2HB LYS 68 9.317 -11.394 3.147 522 HG2 LYS 68 1HG LYS 68 7.447 -12.037 1.837 523 HG3 LYS 68 2HG LYS 68 8.275 -11.616 0.336 524 HD2 LYS 68 1HD LYS 68 9.864 -13.413 0.669 525 HD3 LYS 68 2HD LYS 68 9.146 -13.793 2.236 526 HE2 LYS 68 1HE LYS 68 7.468 -13.823 -0.239 527 HE3 LYS 68 2HE LYS 68 8.500 -15.199 0.147 528 HZ1 LYS 68 1HZ LYS 68 7.373 -15.471 2.227 529 HZ2 LYS 68 2HZ LYS 68 6.214 -15.422 0.997 530 HZ3 LYS 68 3HZ LYS 68 6.459 -14.070 1.983 531 H GLU 69 H GLU 69 9.372 -8.875 4.394 532 HA GLU 69 HA GLU 69 6.622 -9.146 5.258 533 HB2 GLU 69 1HB GLU 69 9.077 -8.204 6.750 534 HB3 GLU 69 2HB GLU 69 7.501 -8.495 7.473 535 HG2 GLU 69 1HG GLU 69 8.873 -10.676 5.971 536 HG3 GLU 69 2HG GLU 69 9.353 -10.303 7.624 537 H GLY 70 H GLY 70 8.969 -6.546 4.745 538 HA2 GLY 70 1HA GLY 70 7.474 -4.412 5.748 539 HA3 GLY 70 2HA GLY 70 8.689 -4.284 4.485 540 H ILE 71 H ILE 71 7.693 -5.511 2.361 541 HA ILE 71 HA ILE 71 5.844 -3.714 1.303 542 HB ILE 71 HB ILE 71 6.410 -6.526 0.356 543 HG12 ILE 71 1HG1 ILE 71 7.630 -3.932 -0.601 544 HG13 ILE 71 2HG1 ILE 71 8.395 -4.982 0.587 545 HG21 ILE 71 1HG2 ILE 71 5.823 -5.071 -1.859 546 HG22 ILE 71 2HG2 ILE 71 4.672 -6.087 -0.994 547 HG23 ILE 71 3HG2 ILE 71 4.732 -4.354 -0.675 548 HD11 ILE 71 1HD1 ILE 71 9.417 -5.784 -1.252 549 HD12 ILE 71 2HD1 ILE 71 7.955 -6.766 -1.353 550 HD13 ILE 71 3HD1 ILE 71 8.105 -5.303 -2.326 551 H GLU 72 H GLU 72 5.316 -7.077 2.365 552 HA GLU 72 HA GLU 72 2.640 -7.341 1.847 553 HB2 GLU 72 1HB GLU 72 4.287 -8.381 4.146 554 HB3 GLU 72 2HB GLU 72 2.601 -8.830 3.924 555 HG2 GLU 72 1HG GLU 72 3.084 -9.848 1.813 556 HG3 GLU 72 2HG GLU 72 4.745 -9.258 1.858 557 H LYS 73 H LYS 73 4.065 -6.057 4.848 558 HA LYS 73 HA LYS 73 1.760 -5.475 6.238 559 HB2 LYS 73 1HB LYS 73 4.457 -4.156 6.156 560 HB3 LYS 73 2HB LYS 73 3.175 -3.497 7.164 561 HG2 LYS 73 1HG LYS 73 3.098 -5.405 8.514 562 HG3 LYS 73 2HG LYS 73 3.998 -6.375 7.345 563 HD2 LYS 73 1HD LYS 73 5.600 -5.914 8.955 564 HD3 LYS 73 2HD LYS 73 5.894 -4.654 7.754 565 HE2 LYS 73 1HE LYS 73 4.681 -3.047 9.069 566 HE3 LYS 73 2HE LYS 73 4.183 -4.294 10.211 567 HZ1 LYS 73 1HZ LYS 73 6.017 -3.912 11.360 568 HZ2 LYS 73 2HZ LYS 73 6.508 -2.735 10.251 569 HZ3 LYS 73 3HZ LYS 73 6.971 -4.347 10.032 570 H ALA 74 H ALA 74 3.538 -3.225 4.114 571 HA ALA 74 HA ALA 74 1.670 -1.142 4.225 572 HB1 ALA 74 1HB ALA 74 3.992 -1.831 2.575 573 HB2 ALA 74 2HB ALA 74 2.795 -0.818 1.767 574 HB3 ALA 74 3HB ALA 74 3.518 -0.288 3.286 575 H ARG 75 H ARG 75 1.883 -3.963 2.128 576 HA ARG 75 HA ARG 75 -0.120 -3.166 0.291 577 HB2 ARG 75 1HB ARG 75 1.678 -5.108 0.217 578 HB3 ARG 75 2HB ARG 75 0.355 -6.052 0.890 579 HG2 ARG 75 1HG ARG 75 -1.050 -5.365 -1.030 580 HG3 ARG 75 2HG ARG 75 0.356 -4.550 -1.719 581 HD2 ARG 75 1HD ARG 75 1.559 -6.671 -1.790 582 HD3 ARG 75 2HD ARG 75 0.174 -7.491 -1.070 583 HE ARG 75 HE ARG 75 -0.379 -6.090 -3.536 584 HH11 ARG 75 1HH1 ARG 75 0.556 -9.093 -2.045 585 HH12 ARG 75 2HH1 ARG 75 0.051 -10.067 -3.387 586 HH21 ARG 75 1HH2 ARG 75 -1.048 -7.361 -5.308 587 HH22 ARG 75 2HH2 ARG 75 -0.860 -9.081 -5.243 588 H HIS 76 H HIS 76 -0.196 -4.839 3.372 589 HA HIS 76 HA HIS 76 -2.932 -5.652 3.174 590 HB2 HIS 76 1HB HIS 76 -1.138 -6.701 4.647 591 HB3 HIS 76 2HB HIS 76 -1.352 -5.324 5.724 592 HD1 HIS 76 HD1 HIS 76 -3.597 -7.955 4.119 593 HD2 HIS 76 HD2 HIS 76 -3.158 -5.827 7.661 594 HE1 HIS 76 HE1 HIS 76 -5.395 -8.819 5.649 595 H GLU 77 H GLU 77 -1.250 -2.823 4.337 596 HA GLU 77 HA GLU 77 -3.531 -1.739 5.717 597 HB2 GLU 77 1HB GLU 77 -0.850 -0.587 4.951 598 HB3 GLU 77 2HB GLU 77 -2.086 0.349 5.778 599 HG2 GLU 77 1HG GLU 77 -0.943 -2.219 6.841 600 HG3 GLU 77 2HG GLU 77 -0.334 -0.620 7.259 601 H VAL 78 H VAL 78 -1.865 -1.093 2.652 602 HA VAL 78 HA VAL 78 -3.491 1.050 1.827 603 HB VAL 78 HB VAL 78 -1.248 0.257 0.841 604 HG11 VAL 78 1HG1 VAL 78 -3.049 -1.328 -0.973 605 HG12 VAL 78 2HG1 VAL 78 -1.286 -1.282 -0.953 606 HG13 VAL 78 3HG1 VAL 78 -2.164 -2.053 0.368 607 HG21 VAL 78 1HG2 VAL 78 -2.722 2.128 0.016 608 HG22 VAL 78 2HG2 VAL 78 -1.670 1.399 -1.197 609 HG23 VAL 78 3HG2 VAL 78 -3.384 0.984 -1.152 610 H LEU 79 H LEU 79 -3.787 -2.438 1.409 611 HA LEU 79 HA LEU 79 -6.003 -2.314 -0.378 612 HB2 LEU 79 1HB LEU 79 -4.669 -4.446 1.222 613 HB3 LEU 79 2HB LEU 79 -6.264 -4.763 0.542 614 HG LEU 79 HG LEU 79 -4.030 -3.803 -1.208 615 HD11 LEU 79 1HD1 LEU 79 -3.680 -6.022 0.306 616 HD12 LEU 79 2HD1 LEU 79 -2.988 -5.788 -1.300 617 HD13 LEU 79 3HD1 LEU 79 -4.485 -6.700 -1.109 618 HD21 LEU 79 1HD2 LEU 79 -5.365 -4.420 -2.927 619 HD22 LEU 79 2HD2 LEU 79 -6.631 -4.147 -1.729 620 HD23 LEU 79 3HD2 LEU 79 -6.057 -5.784 -2.048 621 H LEU 80 H LEU 80 -5.668 -2.736 3.118 622 HA LEU 80 HA LEU 80 -8.332 -3.287 3.736 623 HB2 LEU 80 1HB LEU 80 -6.020 -2.139 5.211 624 HB3 LEU 80 2HB LEU 80 -7.621 -1.989 5.934 625 HG LEU 80 HG LEU 80 -6.311 -4.594 5.155 626 HD11 LEU 80 1HD1 LEU 80 -6.538 -4.690 7.829 627 HD12 LEU 80 2HD1 LEU 80 -6.239 -2.966 7.613 628 HD13 LEU 80 3HD1 LEU 80 -5.083 -4.145 6.993 629 HD21 LEU 80 1HD2 LEU 80 -8.374 -4.920 7.045 630 HD22 LEU 80 2HD2 LEU 80 -8.335 -5.473 5.371 631 HD23 LEU 80 3HD2 LEU 80 -9.014 -3.894 5.763 632 H ILE 81 H ILE 81 -6.649 -0.146 3.695 633 HA ILE 81 HA ILE 81 -8.886 1.423 4.335 634 HB ILE 81 HB ILE 81 -6.501 2.240 2.673 635 HG12 ILE 81 1HG1 ILE 81 -6.782 2.782 5.605 636 HG13 ILE 81 2HG1 ILE 81 -6.204 1.207 5.073 637 HG21 ILE 81 1HG2 ILE 81 -7.853 4.042 2.412 638 HG22 ILE 81 2HG2 ILE 81 -8.776 3.700 3.875 639 HG23 ILE 81 3HG2 ILE 81 -7.187 4.456 3.991 640 HD11 ILE 81 1HD1 ILE 81 -4.853 3.791 5.114 641 HD12 ILE 81 2HD1 ILE 81 -4.190 2.157 5.139 642 HD13 ILE 81 3HD1 ILE 81 -4.653 2.896 3.607 643 H SER 82 H SER 82 -7.389 0.853 1.146 644 HA SER 82 HA SER 82 -9.200 2.213 -0.424 645 HB2 SER 82 1HB SER 82 -8.534 0.649 -2.255 646 HB3 SER 82 2HB SER 82 -7.160 1.304 -1.364 647 HG SER 82 HG SER 82 -8.031 -1.282 -1.590 648 H ALA 83 H ALA 83 -9.364 -1.161 0.665 649 HA ALA 83 HA ALA 83 -11.688 -1.915 -0.674 650 HB1 ALA 83 1HB ALA 83 -11.761 -3.779 0.728 651 HB2 ALA 83 2HB ALA 83 -10.051 -3.348 0.684 652 HB3 ALA 83 3HB ALA 83 -11.035 -2.908 2.080 653 H GLU 84 H GLU 84 -11.370 -0.706 2.670 654 HA GLU 84 HA GLU 84 -14.014 -0.670 3.404 655 HB2 GLU 84 1HB GLU 84 -11.650 0.987 4.137 656 HB3 GLU 84 2HB GLU 84 -13.234 1.546 4.659 657 HG2 GLU 84 1HG GLU 84 -12.400 -1.273 5.176 658 HG3 GLU 84 2HG GLU 84 -11.822 0.031 6.213 659 H GLN 85 H GLN 85 -12.246 1.833 1.616 660 HA GLN 85 HA GLN 85 -14.348 3.686 1.439 661 HB2 GLN 85 1HB GLN 85 -12.086 3.242 -0.517 662 HB3 GLN 85 2HB GLN 85 -13.077 4.690 -0.394 663 HG2 GLN 85 1HG GLN 85 -11.174 3.636 1.685 664 HG3 GLN 85 2HG GLN 85 -10.940 5.049 0.658 665 HE21 GLN 85 1HE2 GLN 85 -10.772 5.195 3.406 666 HE22 GLN 85 2HE2 GLN 85 -12.093 6.130 4.009 667 H ASP 86 H ASP 86 -13.498 0.907 -0.534 668 HA ASP 86 HA ASP 86 -15.355 1.472 -2.627 669 HB2 ASP 86 1HB ASP 86 -13.653 -0.862 -1.858 670 HB3 ASP 86 2HB ASP 86 -14.963 -1.114 -3.010 671 H LYS 87 H LYS 87 -15.585 0.030 0.489 672 HA LYS 87 HA LYS 87 -18.162 -1.210 -0.124 673 HB2 LYS 87 1HB LYS 87 -16.227 -2.224 1.341 674 HB3 LYS 87 2HB LYS 87 -16.932 -1.225 2.605 675 HG2 LYS 87 1HG LYS 87 -18.039 -3.195 2.943 676 HG3 LYS 87 2HG LYS 87 -19.160 -2.375 1.854 677 HD2 LYS 87 1HD LYS 87 -18.138 -3.576 -0.048 678 HD3 LYS 87 2HD LYS 87 -17.094 -4.438 1.086 679 HE2 LYS 87 1HE LYS 87 -18.816 -5.944 0.778 680 HE3 LYS 87 2HE LYS 87 -19.332 -5.095 2.234 681 HZ1 LYS 87 1HZ LYS 87 -20.929 -5.462 0.182 682 HZ2 LYS 87 2HZ LYS 87 -20.218 -4.016 -0.329 683 HZ3 LYS 87 3HZ LYS 87 -21.028 -4.082 1.155 684 H ARG 88 H ARG 88 -17.801 1.703 -0.095 685 HA ARG 88 HA ARG 88 -19.144 2.609 2.307 686 HB2 ARG 88 1HB ARG 88 -18.000 3.942 -0.119 687 HB3 ARG 88 2HB ARG 88 -19.140 4.818 0.894 688 HG2 ARG 88 1HG ARG 88 -17.577 4.139 2.836 689 HG3 ARG 88 2HG ARG 88 -16.400 3.829 1.557 690 HD2 ARG 88 1HD ARG 88 -17.889 6.429 1.768 691 HD3 ARG 88 2HD ARG 88 -16.382 6.141 2.634 692 HE ARG 88 HE ARG 88 -15.967 5.496 -0.047 693 HH11 ARG 88 1HH1 ARG 88 -16.664 8.291 1.909 694 HH12 ARG 88 2HH1 ARG 88 -15.868 9.399 0.841 695 HH21 ARG 88 1HH2 ARG 88 -14.914 6.945 -1.461 696 HH22 ARG 88 2HH2 ARG 88 -14.873 8.631 -1.075 697 H SER 89 H SER 89 -21.098 4.012 2.099 698 HA SER 89 HA SER 89 -23.357 4.019 1.723 699 HB2 SER 89 1HB SER 89 -22.164 5.238 -0.293 700 HB3 SER 89 2HB SER 89 -22.796 3.874 -1.213 701 HG SER 89 HG SER 89 -24.842 4.542 0.069 702 H GLY 90 H GLY 90 -22.407 1.427 2.194 703 HA2 GLY 90 1HA GLY 90 -24.188 -0.140 0.433 704 HA3 GLY 90 2HA GLY 90 -22.652 -0.769 1.008 705 HA PRO 91 HA PRO 91 -25.923 -2.308 3.878 706 HB2 PRO 91 1HB PRO 91 -24.889 -4.811 4.068 707 HB3 PRO 91 2HB PRO 91 -25.996 -4.323 2.778 708 HG2 PRO 91 1HG PRO 91 -23.012 -4.553 2.728 709 HG3 PRO 91 2HG PRO 91 -24.194 -5.063 1.509 710 HD2 PRO 91 1HD PRO 91 -22.776 -2.766 1.292 711 HD3 PRO 91 2HD PRO 91 -24.428 -2.933 0.662 712 H SER 92 H SER 92 -25.720 -2.054 6.013 713 HA SER 92 HA SER 92 -23.103 -1.690 7.171 714 HB2 SER 92 1HB SER 92 -24.401 -1.155 9.248 715 HB3 SER 92 2HB SER 92 -24.852 -0.172 7.855 716 HG SER 92 HG SER 92 -26.228 -2.506 8.697 717 H SER 93 H SER 93 -23.365 -4.288 6.283 718 HA SER 93 HA SER 93 -24.206 -6.076 8.332 719 HB2 SER 93 1HB SER 93 -23.824 -6.490 5.770 720 HB3 SER 93 2HB SER 93 -22.170 -6.846 6.268 721 HG SER 93 HG SER 93 -24.274 -8.047 7.667 722 H GLY 94 H GLY 94 -23.032 -7.163 9.874 723 HA2 GLY 94 1HA GLY 94 -20.208 -7.121 10.072 724 HA3 GLY 94 2HA GLY 94 -20.890 -5.863 11.093 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 10.995 -37.382 29.242 2 HA2 GLY 1 1HA GLY 1 11.942 -38.147 26.570 3 HA3 GLY 1 2HA GLY 1 10.311 -37.626 26.974 4 H SER 2 H SER 2 11.899 -36.632 24.824 5 HA SER 2 HA SER 2 12.056 -33.812 25.637 6 HB2 SER 2 1HB SER 2 14.339 -35.019 25.342 7 HB3 SER 2 2HB SER 2 13.980 -34.938 23.618 8 HG SER 2 HG SER 2 13.687 -32.602 25.113 9 H SER 3 H SER 3 11.639 -32.290 23.962 10 HA SER 3 HA SER 3 10.740 -33.245 21.383 11 HB2 SER 3 1HB SER 3 8.769 -33.542 22.926 12 HB3 SER 3 2HB SER 3 8.770 -31.795 23.163 13 HG SER 3 HG SER 3 7.705 -33.202 21.161 14 H GLY 4 H GLY 4 10.086 -31.430 19.952 15 HA2 GLY 4 1HA GLY 4 11.145 -28.828 20.824 16 HA3 GLY 4 2HA GLY 4 11.786 -29.569 19.365 17 H SER 5 H SER 5 11.063 -27.629 18.279 18 HA SER 5 HA SER 5 8.151 -27.486 17.896 19 HB2 SER 5 1HB SER 5 10.352 -25.469 17.449 20 HB3 SER 5 2HB SER 5 8.720 -25.242 16.819 21 HG SER 5 HG SER 5 9.515 -24.544 19.152 22 H SER 6 H SER 6 7.237 -27.827 15.942 23 HA SER 6 HA SER 6 9.014 -28.766 13.806 24 HB2 SER 6 1HB SER 6 6.022 -29.144 14.068 25 HB3 SER 6 2HB SER 6 7.089 -29.939 12.911 26 HG SER 6 HG SER 6 6.487 -30.681 15.403 27 H GLY 7 H GLY 7 9.116 -27.800 11.851 28 HA2 GLY 7 1HA GLY 7 7.530 -26.481 10.265 29 HA3 GLY 7 2HA GLY 7 7.621 -25.289 11.554 30 H ASP 8 H ASP 8 9.778 -27.268 9.522 31 HA ASP 8 HA ASP 8 11.676 -25.021 9.495 32 HB2 ASP 8 1HB ASP 8 12.650 -27.088 10.309 33 HB3 ASP 8 2HB ASP 8 12.090 -27.954 8.881 34 H ILE 9 H ILE 9 10.802 -23.769 7.870 35 HA ILE 9 HA ILE 9 10.238 -24.970 5.282 36 HB ILE 9 HB ILE 9 9.412 -22.812 4.608 37 HG12 ILE 9 1HG1 ILE 9 9.979 -21.568 7.256 38 HG13 ILE 9 2HG1 ILE 9 11.310 -21.692 6.111 39 HG21 ILE 9 1HG2 ILE 9 8.411 -22.987 7.408 40 HG22 ILE 9 2HG2 ILE 9 7.518 -22.773 5.903 41 HG23 ILE 9 3HG2 ILE 9 8.171 -24.357 6.325 42 HD11 ILE 9 1HD1 ILE 9 10.565 -19.722 5.376 43 HD12 ILE 9 2HD1 ILE 9 9.337 -20.677 4.545 44 HD13 ILE 9 3HD1 ILE 9 8.974 -19.939 6.104 45 H VAL 10 H VAL 10 11.227 -24.252 3.327 46 HA VAL 10 HA VAL 10 13.828 -22.920 3.646 47 HB VAL 10 HB VAL 10 14.249 -25.333 3.526 48 HG11 VAL 10 1HG1 VAL 10 13.308 -26.735 2.042 49 HG12 VAL 10 2HG1 VAL 10 12.100 -25.459 1.876 50 HG13 VAL 10 3HG1 VAL 10 13.425 -25.577 0.717 51 HG21 VAL 10 1HG2 VAL 10 15.097 -24.341 0.853 52 HG22 VAL 10 2HG2 VAL 10 15.620 -23.451 2.283 53 HG23 VAL 10 3HG2 VAL 10 16.034 -25.155 2.106 54 H ALA 11 H ALA 11 13.907 -21.193 2.382 55 HA ALA 11 HA ALA 11 13.118 -21.308 -0.378 56 HB1 ALA 11 1HB ALA 11 11.490 -19.737 1.595 57 HB2 ALA 11 2HB ALA 11 11.562 -19.300 -0.113 58 HB3 ALA 11 3HB ALA 11 10.940 -20.879 0.368 59 H ARG 12 H ARG 12 14.588 -20.174 -1.452 60 HA ARG 12 HA ARG 12 16.041 -18.052 -0.035 61 HB2 ARG 12 1HB ARG 12 17.347 -19.960 -0.978 62 HB3 ARG 12 2HB ARG 12 16.810 -19.483 -2.583 63 HG2 ARG 12 1HG ARG 12 18.176 -17.663 -2.654 64 HG3 ARG 12 2HG ARG 12 18.146 -17.435 -0.904 65 HD2 ARG 12 1HD ARG 12 19.775 -19.036 -0.537 66 HD3 ARG 12 2HD ARG 12 19.458 -19.854 -2.066 67 HE ARG 12 HE ARG 12 20.433 -17.256 -2.559 68 HH11 ARG 12 1HH1 ARG 12 21.477 -20.371 -1.413 69 HH12 ARG 12 2HH1 ARG 12 23.116 -20.160 -1.936 70 HH21 ARG 12 1HH2 ARG 12 22.586 -16.965 -3.253 71 HH22 ARG 12 2HH2 ARG 12 23.745 -18.222 -2.982 72 H LEU 13 H LEU 13 16.725 -16.168 -1.346 73 HA LEU 13 HA LEU 13 14.799 -15.498 -3.463 74 HB2 LEU 13 1HB LEU 13 14.527 -13.274 -2.569 75 HB3 LEU 13 2HB LEU 13 14.076 -14.473 -1.359 76 HG LEU 13 HG LEU 13 16.827 -13.324 -1.294 77 HD11 LEU 13 1HD1 LEU 13 16.238 -11.297 -0.515 78 HD12 LEU 13 2HD1 LEU 13 14.790 -11.905 0.286 79 HD13 LEU 13 3HD1 LEU 13 14.770 -11.587 -1.448 80 HD21 LEU 13 1HD2 LEU 13 16.871 -14.532 0.565 81 HD22 LEU 13 2HD2 LEU 13 15.183 -14.991 0.340 82 HD23 LEU 13 3HD2 LEU 13 15.589 -13.523 1.231 83 H GLN 14 H GLN 14 15.524 -13.983 -5.013 84 HA GLN 14 HA GLN 14 18.394 -14.031 -5.396 85 HB2 GLN 14 1HB GLN 14 16.735 -14.480 -7.238 86 HB3 GLN 14 2HB GLN 14 16.300 -12.777 -7.173 87 HG2 GLN 14 1HG GLN 14 17.836 -13.096 -8.966 88 HG3 GLN 14 2HG GLN 14 18.659 -12.210 -7.681 89 HE21 GLN 14 1HE2 GLN 14 20.554 -12.945 -7.021 90 HE22 GLN 14 2HE2 GLN 14 21.204 -14.508 -7.361 91 H THR 15 H THR 15 15.913 -11.468 -5.521 92 HA THR 15 HA THR 15 17.667 -9.679 -4.054 93 HB THR 15 HB THR 15 18.349 -9.352 -6.411 94 HG1 THR 15 HG1 THR 15 17.666 -6.976 -6.371 95 HG21 THR 15 1HG2 THR 15 15.832 -7.980 -7.104 96 HG22 THR 15 2HG2 THR 15 15.754 -9.741 -7.058 97 HG23 THR 15 3HG2 THR 15 16.917 -8.936 -8.111 98 H GLN 16 H GLN 16 16.580 -7.611 -3.524 99 HA GLN 16 HA GLN 16 14.265 -7.821 -2.203 100 HB2 GLN 16 1HB GLN 16 15.527 -5.533 -3.622 101 HB3 GLN 16 2HB GLN 16 13.881 -5.315 -3.042 102 HG2 GLN 16 1HG GLN 16 14.581 -5.859 -0.784 103 HG3 GLN 16 2HG GLN 16 16.225 -6.149 -1.349 104 HE21 GLN 16 1HE2 GLN 16 15.536 -4.319 0.661 105 HE22 GLN 16 2HE2 GLN 16 15.914 -2.729 0.100 106 H ALA 17 H ALA 17 12.046 -7.378 -2.573 107 HA ALA 17 HA ALA 17 11.210 -7.884 -5.353 108 HB1 ALA 17 1HB ALA 17 9.727 -9.384 -4.624 109 HB2 ALA 17 2HB ALA 17 10.624 -9.347 -3.105 110 HB3 ALA 17 3HB ALA 17 9.188 -8.342 -3.306 111 H SER 18 H SER 18 9.137 -6.926 -6.007 112 HA SER 18 HA SER 18 8.331 -4.540 -4.531 113 HB2 SER 18 1HB SER 18 8.355 -3.378 -6.911 114 HB3 SER 18 2HB SER 18 9.794 -3.388 -5.892 115 HG SER 18 HG SER 18 9.320 -5.444 -7.763 116 H ALA 19 H ALA 19 6.202 -4.637 -4.351 117 HA ALA 19 HA ALA 19 4.655 -5.924 -6.501 118 HB1 ALA 19 1HB ALA 19 3.989 -7.189 -4.764 119 HB2 ALA 19 2HB ALA 19 4.447 -5.975 -3.568 120 HB3 ALA 19 3HB ALA 19 2.917 -5.828 -4.433 121 H THR 20 H THR 20 2.345 -5.073 -6.638 122 HA THR 20 HA THR 20 2.191 -2.187 -6.148 123 HB THR 20 HB THR 20 1.055 -2.105 -8.515 124 HG1 THR 20 HG1 THR 20 1.644 -4.546 -8.596 125 HG21 THR 20 1HG2 THR 20 3.876 -1.871 -7.679 126 HG22 THR 20 2HG2 THR 20 2.821 -0.692 -8.459 127 HG23 THR 20 3HG2 THR 20 3.596 -1.953 -9.418 128 H VAL 21 H VAL 21 0.053 -1.338 -6.121 129 HA VAL 21 HA VAL 21 -2.084 -3.358 -5.998 130 HB VAL 21 HB VAL 21 -1.526 -2.867 -3.711 131 HG11 VAL 21 1HG1 VAL 21 -0.510 -0.577 -4.415 132 HG12 VAL 21 2HG1 VAL 21 -2.127 0.038 -4.067 133 HG13 VAL 21 3HG1 VAL 21 -1.198 -0.769 -2.803 134 HG21 VAL 21 1HG2 VAL 21 -3.869 -3.143 -4.106 135 HG22 VAL 21 2HG2 VAL 21 -3.667 -1.839 -2.935 136 HG23 VAL 21 3HG2 VAL 21 -4.034 -1.464 -4.619 137 H ALA 22 H ALA 22 -3.501 -2.899 -7.541 138 HA ALA 22 HA ALA 22 -3.727 -0.317 -8.733 139 HB1 ALA 22 1HB ALA 22 -5.823 -1.497 -9.780 140 HB2 ALA 22 2HB ALA 22 -4.191 -1.967 -10.255 141 HB3 ALA 22 3HB ALA 22 -5.086 -2.943 -9.090 142 H ILE 23 H ILE 23 -4.731 1.351 -7.837 143 HA ILE 23 HA ILE 23 -7.338 0.935 -6.580 144 HB ILE 23 HB ILE 23 -6.574 2.701 -4.829 145 HG12 ILE 23 1HG1 ILE 23 -3.925 1.426 -5.545 146 HG13 ILE 23 2HG1 ILE 23 -4.366 3.097 -5.877 147 HG21 ILE 23 1HG2 ILE 23 -6.443 -0.194 -4.900 148 HG22 ILE 23 2HG2 ILE 23 -5.348 0.495 -3.703 149 HG23 ILE 23 3HG2 ILE 23 -7.068 0.879 -3.648 150 HD11 ILE 23 1HD1 ILE 23 -3.921 3.747 -3.789 151 HD12 ILE 23 2HD1 ILE 23 -4.672 2.317 -3.079 152 HD13 ILE 23 3HD1 ILE 23 -3.018 2.237 -3.683 153 HA PRO 24 HA PRO 24 -8.504 4.601 -8.694 154 HB2 PRO 24 1HB PRO 24 -10.309 5.677 -6.974 155 HB3 PRO 24 2HB PRO 24 -10.640 4.229 -7.932 156 HG2 PRO 24 1HG PRO 24 -9.799 4.453 -5.069 157 HG3 PRO 24 2HG PRO 24 -11.024 3.397 -5.795 158 HD2 PRO 24 1HD PRO 24 -8.540 2.525 -5.159 159 HD3 PRO 24 2HD PRO 24 -9.457 1.878 -6.536 160 H LYS 25 H LYS 25 -7.946 6.725 -8.886 161 HA LYS 25 HA LYS 25 -5.890 7.795 -7.367 162 HB2 LYS 25 1HB LYS 25 -6.953 8.484 -9.696 163 HB3 LYS 25 2HB LYS 25 -7.808 9.655 -8.700 164 HG2 LYS 25 1HG LYS 25 -5.993 10.898 -9.246 165 HG3 LYS 25 2HG LYS 25 -5.364 10.117 -7.793 166 HD2 LYS 25 1HD LYS 25 -4.632 8.274 -9.555 167 HD3 LYS 25 2HD LYS 25 -4.689 9.655 -10.652 168 HE2 LYS 25 1HE LYS 25 -2.482 9.618 -9.879 169 HE3 LYS 25 2HE LYS 25 -3.263 10.866 -8.909 170 HZ1 LYS 25 1HZ LYS 25 -1.800 8.896 -7.881 171 HZ2 LYS 25 2HZ LYS 25 -3.332 8.185 -7.802 172 HZ3 LYS 25 3HZ LYS 25 -3.047 9.666 -7.036 173 H GLU 26 H GLU 26 -9.177 7.549 -6.582 174 HA GLU 26 HA GLU 26 -9.316 9.850 -4.863 175 HB2 GLU 26 1HB GLU 26 -11.514 9.208 -4.403 176 HB3 GLU 26 2HB GLU 26 -11.265 8.651 -6.051 177 HG2 GLU 26 1HG GLU 26 -10.553 6.430 -4.813 178 HG3 GLU 26 2HG GLU 26 -11.582 7.096 -3.547 179 H HIS 27 H HIS 27 -8.406 6.511 -4.558 180 HA HIS 27 HA HIS 27 -8.429 6.607 -1.651 181 HB2 HIS 27 1HB HIS 27 -7.627 4.422 -3.581 182 HB3 HIS 27 2HB HIS 27 -7.612 4.255 -1.828 183 HD1 HIS 27 HD1 HIS 27 -9.350 2.346 -3.356 184 HD2 HIS 27 HD2 HIS 27 -10.706 6.045 -2.037 185 HE1 HIS 27 HE1 HIS 27 -11.853 2.139 -3.233 186 H HIS 28 H HIS 28 -6.316 7.361 -4.174 187 HA HIS 28 HA HIS 28 -3.834 6.637 -3.030 188 HB2 HIS 28 1HB HIS 28 -4.707 8.521 -5.181 189 HB3 HIS 28 2HB HIS 28 -3.060 8.639 -4.569 190 HD2 HIS 28 HD2 HIS 28 -5.029 5.320 -5.454 191 HE1 HIS 28 HE1 HIS 28 -1.433 5.495 -7.697 192 HE2 HIS 28 HE2 HIS 28 -3.514 4.164 -7.202 193 H ARG 29 H ARG 29 -5.886 9.475 -2.725 194 HA ARG 29 HA ARG 29 -3.970 11.041 -1.297 195 HB2 ARG 29 1HB ARG 29 -5.783 12.588 -0.912 196 HB3 ARG 29 2HB ARG 29 -5.862 12.018 -2.573 197 HG2 ARG 29 1HG ARG 29 -7.776 10.797 -2.209 198 HG3 ARG 29 2HG ARG 29 -7.475 10.644 -0.477 199 HD2 ARG 29 1HD ARG 29 -8.112 13.268 -1.804 200 HD3 ARG 29 2HD ARG 29 -9.354 12.197 -1.156 201 HE ARG 29 HE ARG 29 -7.353 12.738 0.785 202 HH11 ARG 29 1HH1 ARG 29 -10.127 14.128 -0.795 203 HH12 ARG 29 2HH1 ARG 29 -10.517 15.177 0.527 204 HH21 ARG 29 1HH2 ARG 29 -7.857 14.115 2.533 205 HH22 ARG 29 2HH2 ARG 29 -9.224 15.168 2.419 206 H PHE 30 H PHE 30 -6.292 8.618 -0.439 207 HA PHE 30 HA PHE 30 -6.442 9.291 2.340 208 HB2 PHE 30 1HB PHE 30 -7.392 7.038 0.629 209 HB3 PHE 30 2HB PHE 30 -7.297 6.778 2.368 210 HD1 PHE 30 HD1 PHE 30 -8.213 9.075 3.650 211 HD2 PHE 30 HD2 PHE 30 -9.516 7.487 -0.078 212 HE1 PHE 30 HE1 PHE 30 -10.387 10.194 3.936 213 HE2 PHE 30 HE2 PHE 30 -11.691 8.603 0.202 214 HZ PHE 30 HZ PHE 30 -12.128 9.959 2.211 215 H VAL 31 H VAL 31 -4.234 7.557 0.368 216 HA VAL 31 HA VAL 31 -3.104 6.017 2.547 217 HB VAL 31 HB VAL 31 -2.138 6.371 -0.294 218 HG11 VAL 31 1HG1 VAL 31 -0.566 4.673 0.090 219 HG12 VAL 31 2HG1 VAL 31 -0.430 5.734 1.494 220 HG13 VAL 31 3HG1 VAL 31 -1.311 4.210 1.620 221 HG21 VAL 31 1HG2 VAL 31 -4.362 5.251 0.013 222 HG22 VAL 31 2HG2 VAL 31 -3.132 4.256 -0.764 223 HG23 VAL 31 3HG2 VAL 31 -3.530 3.998 0.934 224 H ILE 32 H ILE 32 -2.357 8.916 0.703 225 HA ILE 32 HA ILE 32 0.266 9.281 1.729 226 HB ILE 32 HB ILE 32 -1.626 11.336 0.579 227 HG12 ILE 32 1HG1 ILE 32 0.656 9.935 -0.812 228 HG13 ILE 32 2HG1 ILE 32 -0.997 9.335 -0.870 229 HG21 ILE 32 1HG2 ILE 32 0.248 12.246 1.946 230 HG22 ILE 32 2HG2 ILE 32 1.372 11.468 0.833 231 HG23 ILE 32 3HG2 ILE 32 0.290 12.733 0.252 232 HD11 ILE 32 1HD1 ILE 32 -0.891 10.547 -2.803 233 HD12 ILE 32 2HD1 ILE 32 -1.524 11.759 -1.687 234 HD13 ILE 32 3HD1 ILE 32 0.186 11.761 -2.113 235 H GLY 33 H GLY 33 -2.931 10.380 2.737 236 HA2 GLY 33 1HA GLY 33 -3.285 10.639 5.144 237 HA3 GLY 33 2HA GLY 33 -1.694 11.380 5.226 238 H LYS 34 H LYS 34 -4.018 12.564 6.262 239 HA LYS 34 HA LYS 34 -5.284 14.394 4.578 240 HB2 LYS 34 1HB LYS 34 -5.709 15.697 6.678 241 HB3 LYS 34 2HB LYS 34 -6.170 14.002 6.765 242 HG2 LYS 34 1HG LYS 34 -3.869 13.633 7.833 243 HG3 LYS 34 2HG LYS 34 -3.845 15.384 8.052 244 HD2 LYS 34 1HD LYS 34 -6.022 15.203 9.246 245 HD3 LYS 34 2HD LYS 34 -5.891 13.446 9.129 246 HE2 LYS 34 1HE LYS 34 -5.106 14.075 11.287 247 HE3 LYS 34 2HE LYS 34 -3.698 13.622 10.328 248 HZ1 LYS 34 1HZ LYS 34 -2.867 15.675 10.452 249 HZ2 LYS 34 2HZ LYS 34 -3.940 15.907 11.737 250 HZ3 LYS 34 3HZ LYS 34 -4.360 16.421 10.181 251 H ASN 35 H ASN 35 -2.513 14.966 6.753 252 HA ASN 35 HA ASN 35 -1.915 17.425 5.286 253 HB2 ASN 35 1HB ASN 35 -1.263 16.378 7.994 254 HB3 ASN 35 2HB ASN 35 -0.090 17.455 7.241 255 HD21 ASN 35 1HD2 ASN 35 -3.315 17.153 8.501 256 HD22 ASN 35 2HD2 ASN 35 -3.651 18.845 8.598 257 H GLY 36 H GLY 36 -1.052 14.200 5.263 258 HA2 GLY 36 1HA GLY 36 0.455 13.424 3.548 259 HA3 GLY 36 2HA GLY 36 1.442 14.848 3.834 260 H GLU 37 H GLU 37 0.080 12.458 6.087 261 HA GLU 37 HA GLU 37 2.833 11.860 6.950 262 HB2 GLU 37 1HB GLU 37 0.458 11.647 8.776 263 HB3 GLU 37 2HB GLU 37 2.161 11.764 9.196 264 HG2 GLU 37 1HG GLU 37 0.893 14.038 7.764 265 HG3 GLU 37 2HG GLU 37 0.533 13.806 9.473 266 H LYS 38 H LYS 38 -0.466 10.599 6.667 267 HA LYS 38 HA LYS 38 -0.324 8.046 7.446 268 HB2 LYS 38 1HB LYS 38 -2.252 9.093 6.258 269 HB3 LYS 38 2HB LYS 38 -1.406 8.843 4.738 270 HG2 LYS 38 1HG LYS 38 -2.952 7.081 4.927 271 HG3 LYS 38 2HG LYS 38 -1.374 6.383 5.299 272 HD2 LYS 38 1HD LYS 38 -1.937 6.801 7.743 273 HD3 LYS 38 2HD LYS 38 -3.588 7.112 7.202 274 HE2 LYS 38 1HE LYS 38 -3.721 4.876 7.687 275 HE3 LYS 38 2HE LYS 38 -3.278 4.808 5.981 276 HZ1 LYS 38 1HZ LYS 38 -1.107 4.224 6.487 277 HZ2 LYS 38 2HZ LYS 38 -2.002 3.346 7.622 278 HZ3 LYS 38 3HZ LYS 38 -1.209 4.767 8.086 279 H LEU 39 H LEU 39 1.319 9.374 4.650 280 HA LEU 39 HA LEU 39 2.260 6.778 3.773 281 HB2 LEU 39 1HB LEU 39 1.907 8.164 1.966 282 HB3 LEU 39 2HB LEU 39 2.526 9.586 2.804 283 HG LEU 39 HG LEU 39 4.825 8.527 2.600 284 HD11 LEU 39 1HD1 LEU 39 3.401 6.821 0.564 285 HD12 LEU 39 2HD1 LEU 39 4.024 6.248 2.110 286 HD13 LEU 39 3HD1 LEU 39 5.136 6.858 0.884 287 HD21 LEU 39 1HD2 LEU 39 3.715 9.039 -0.117 288 HD22 LEU 39 2HD2 LEU 39 5.200 9.634 0.628 289 HD23 LEU 39 3HD2 LEU 39 3.642 10.323 1.090 290 H GLN 40 H GLN 40 3.567 9.657 5.352 291 HA GLN 40 HA GLN 40 6.262 8.852 5.397 292 HB2 GLN 40 1HB GLN 40 6.643 10.713 6.680 293 HB3 GLN 40 2HB GLN 40 5.080 11.142 5.997 294 HG2 GLN 40 1HG GLN 40 3.957 10.459 8.011 295 HG3 GLN 40 2HG GLN 40 5.470 9.864 8.692 296 HE21 GLN 40 1HE2 GLN 40 5.630 11.172 10.427 297 HE22 GLN 40 2HE2 GLN 40 5.779 12.891 10.341 298 H ASP 41 H ASP 41 3.549 8.123 7.483 299 HA ASP 41 HA ASP 41 5.167 6.898 9.527 300 HB2 ASP 41 1HB ASP 41 2.775 7.998 9.694 301 HB3 ASP 41 2HB ASP 41 2.232 6.376 9.273 302 H LEU 42 H LEU 42 3.397 5.865 6.695 303 HA LEU 42 HA LEU 42 3.427 3.081 7.288 304 HB2 LEU 42 1HB LEU 42 2.815 4.767 4.924 305 HB3 LEU 42 2HB LEU 42 3.187 3.068 4.637 306 HG LEU 42 HG LEU 42 1.052 3.926 6.571 307 HD11 LEU 42 1HD1 LEU 42 0.253 4.906 4.621 308 HD12 LEU 42 2HD1 LEU 42 -0.489 3.307 4.606 309 HD13 LEU 42 3HD1 LEU 42 0.916 3.636 3.593 310 HD21 LEU 42 1HD2 LEU 42 2.057 1.579 6.531 311 HD22 LEU 42 2HD2 LEU 42 1.249 1.391 4.975 312 HD23 LEU 42 3HD2 LEU 42 0.302 1.713 6.428 313 H GLU 43 H GLU 43 5.328 5.027 4.978 314 HA GLU 43 HA GLU 43 7.050 3.093 4.068 315 HB2 GLU 43 1HB GLU 43 7.439 6.033 4.553 316 HB3 GLU 43 2HB GLU 43 8.738 5.044 3.903 317 HG2 GLU 43 1HG GLU 43 7.390 4.448 1.996 318 HG3 GLU 43 2HG GLU 43 6.009 5.317 2.664 319 H LEU 44 H LEU 44 7.006 4.657 7.171 320 HA LEU 44 HA LEU 44 9.636 3.682 7.908 321 HB2 LEU 44 1HB LEU 44 7.528 5.322 9.251 322 HB3 LEU 44 2HB LEU 44 8.817 4.592 10.206 323 HG LEU 44 HG LEU 44 9.213 6.539 7.933 324 HD11 LEU 44 1HD1 LEU 44 10.142 7.808 10.097 325 HD12 LEU 44 2HD1 LEU 44 8.851 6.868 10.847 326 HD13 LEU 44 3HD1 LEU 44 8.484 7.972 9.521 327 HD21 LEU 44 1HD2 LEU 44 11.087 5.041 8.117 328 HD22 LEU 44 2HD2 LEU 44 11.148 5.268 9.866 329 HD23 LEU 44 3HD2 LEU 44 11.539 6.609 8.788 330 H LYS 45 H LYS 45 6.410 3.331 9.397 331 HA LYS 45 HA LYS 45 6.911 1.265 11.103 332 HB2 LYS 45 1HB LYS 45 4.760 2.355 11.063 333 HB3 LYS 45 2HB LYS 45 4.436 1.755 9.442 334 HG2 LYS 45 1HG LYS 45 4.949 -0.221 11.601 335 HG3 LYS 45 2HG LYS 45 3.393 0.612 11.567 336 HD2 LYS 45 1HD LYS 45 4.436 -0.591 9.047 337 HD3 LYS 45 2HD LYS 45 3.752 -1.656 10.277 338 HE2 LYS 45 1HE LYS 45 2.059 -0.992 8.652 339 HE3 LYS 45 2HE LYS 45 1.683 -0.358 10.254 340 HZ1 LYS 45 1HZ LYS 45 2.355 1.789 9.620 341 HZ2 LYS 45 2HZ LYS 45 1.406 1.226 8.338 342 HZ3 LYS 45 3HZ LYS 45 3.092 1.243 8.198 343 H THR 46 H THR 46 6.168 1.021 7.651 344 HA THR 46 HA THR 46 6.481 -1.872 7.719 345 HB THR 46 HB THR 46 5.737 -1.901 5.458 346 HG1 THR 46 HG1 THR 46 6.531 0.793 5.503 347 HG21 THR 46 1HG2 THR 46 4.269 0.160 7.094 348 HG22 THR 46 2HG2 THR 46 3.900 -1.556 6.921 349 HG23 THR 46 3HG2 THR 46 3.658 -0.461 5.561 350 H ALA 47 H ALA 47 8.326 0.940 7.000 351 HA ALA 47 HA ALA 47 10.487 1.246 6.350 352 HB1 ALA 47 1HB ALA 47 10.470 -1.545 7.337 353 HB2 ALA 47 2HB ALA 47 11.862 -1.036 6.380 354 HB3 ALA 47 3HB ALA 47 11.437 -0.163 7.852 355 H THR 48 H THR 48 8.552 0.896 4.342 356 HA THR 48 HA THR 48 10.103 -0.487 2.249 357 HB THR 48 HB THR 48 7.988 -0.747 1.001 358 HG1 THR 48 HG1 THR 48 6.067 -0.444 2.551 359 HG21 THR 48 1HG2 THR 48 7.589 -1.883 3.755 360 HG22 THR 48 2HG2 THR 48 8.884 -2.449 2.698 361 HG23 THR 48 3HG2 THR 48 7.200 -2.607 2.195 362 H LYS 49 H LYS 49 9.361 0.437 -0.015 363 HA LYS 49 HA LYS 49 9.564 3.371 0.162 364 HB2 LYS 49 1HB LYS 49 11.595 2.395 -0.744 365 HB3 LYS 49 2HB LYS 49 10.666 1.488 -1.931 366 HG2 LYS 49 1HG LYS 49 11.500 3.268 -3.150 367 HG3 LYS 49 2HG LYS 49 9.862 3.789 -2.749 368 HD2 LYS 49 1HD LYS 49 11.183 5.663 -2.294 369 HD3 LYS 49 2HD LYS 49 10.933 4.923 -0.711 370 HE2 LYS 49 1HE LYS 49 13.127 3.817 -0.916 371 HE3 LYS 49 2HE LYS 49 13.373 4.626 -2.462 372 HZ1 LYS 49 1HZ LYS 49 13.439 5.733 0.247 373 HZ2 LYS 49 2HZ LYS 49 12.890 6.733 -1.001 374 HZ3 LYS 49 3HZ LYS 49 14.440 6.060 -1.078 375 H ILE 50 H ILE 50 7.314 3.685 0.115 376 HA ILE 50 HA ILE 50 5.719 2.604 -2.022 377 HB ILE 50 HB ILE 50 5.038 4.786 -0.046 378 HG12 ILE 50 1HG1 ILE 50 4.094 1.936 0.095 379 HG13 ILE 50 2HG1 ILE 50 5.644 2.399 0.792 380 HG21 ILE 50 1HG2 ILE 50 2.689 4.138 -0.613 381 HG22 ILE 50 2HG2 ILE 50 3.573 4.922 -1.922 382 HG23 ILE 50 3HG2 ILE 50 3.340 3.173 -1.939 383 HD11 ILE 50 1HD1 ILE 50 2.980 2.752 1.824 384 HD12 ILE 50 2HD1 ILE 50 4.538 2.922 2.634 385 HD13 ILE 50 3HD1 ILE 50 3.849 4.285 1.753 386 H GLN 51 H GLN 51 5.407 3.446 -3.975 387 HA GLN 51 HA GLN 51 6.134 6.268 -4.413 388 HB2 GLN 51 1HB GLN 51 7.617 4.346 -5.413 389 HB3 GLN 51 2HB GLN 51 6.331 4.243 -6.607 390 HG2 GLN 51 1HG GLN 51 6.718 6.846 -6.740 391 HG3 GLN 51 2HG GLN 51 8.310 6.400 -6.127 392 HE21 GLN 51 1HE2 GLN 51 9.545 4.854 -7.359 393 HE22 GLN 51 2HE2 GLN 51 9.336 4.762 -9.071 394 H ILE 52 H ILE 52 4.360 7.412 -4.790 395 HA ILE 52 HA ILE 52 2.059 6.133 -6.069 396 HB ILE 52 HB ILE 52 2.259 8.830 -4.723 397 HG12 ILE 52 1HG1 ILE 52 0.823 6.381 -3.709 398 HG13 ILE 52 2HG1 ILE 52 2.500 6.717 -3.294 399 HG21 ILE 52 1HG2 ILE 52 -0.260 7.371 -5.455 400 HG22 ILE 52 2HG2 ILE 52 -0.058 9.060 -4.993 401 HG23 ILE 52 3HG2 ILE 52 0.522 8.500 -6.561 402 HD11 ILE 52 1HD1 ILE 52 0.233 8.617 -2.763 403 HD12 ILE 52 2HD1 ILE 52 0.838 7.442 -1.595 404 HD13 ILE 52 3HD1 ILE 52 1.893 8.729 -2.177 405 HA PRO 53 HA PRO 53 2.895 8.079 -9.940 406 HB2 PRO 53 1HB PRO 53 0.422 7.837 -11.034 407 HB3 PRO 53 2HB PRO 53 1.534 6.473 -10.859 408 HG2 PRO 53 1HG PRO 53 -0.782 7.262 -9.134 409 HG3 PRO 53 2HG PRO 53 -0.304 5.649 -9.697 410 HD2 PRO 53 1HD PRO 53 0.255 6.548 -7.205 411 HD3 PRO 53 2HD PRO 53 1.322 5.428 -8.077 412 H ARG 54 H ARG 54 2.509 10.008 -11.055 413 HA ARG 54 HA ARG 54 1.674 12.204 -9.504 414 HB2 ARG 54 1HB ARG 54 2.259 11.886 -12.443 415 HB3 ARG 54 2HB ARG 54 1.781 13.429 -11.749 416 HG2 ARG 54 1HG ARG 54 4.058 13.620 -11.703 417 HG3 ARG 54 2HG ARG 54 3.752 12.956 -10.096 418 HD2 ARG 54 1HD ARG 54 4.316 10.740 -10.853 419 HD3 ARG 54 2HD ARG 54 4.464 11.306 -12.516 420 HE ARG 54 HE ARG 54 6.226 12.597 -10.622 421 HH11 ARG 54 1HH1 ARG 54 5.804 9.995 -12.897 422 HH12 ARG 54 2HH1 ARG 54 7.503 9.762 -13.145 423 HH21 ARG 54 1HH2 ARG 54 8.465 12.302 -10.941 424 HH22 ARG 54 2HH2 ARG 54 9.016 11.074 -12.031 425 HA PRO 55 HA PRO 55 -2.659 12.471 -10.153 426 HB2 PRO 55 1HB PRO 55 -3.027 15.159 -10.250 427 HB3 PRO 55 2HB PRO 55 -2.640 14.295 -8.757 428 HG2 PRO 55 1HG PRO 55 -0.829 15.835 -10.578 429 HG3 PRO 55 2HG PRO 55 -0.889 15.825 -8.806 430 HD2 PRO 55 1HD PRO 55 0.948 14.416 -10.209 431 HD3 PRO 55 2HD PRO 55 0.306 13.860 -8.651 432 H ASP 56 H ASP 56 -0.458 13.461 -12.512 433 HA ASP 56 HA ASP 56 -2.602 14.020 -14.450 434 HB2 ASP 56 1HB ASP 56 -1.190 15.843 -14.614 435 HB3 ASP 56 2HB ASP 56 0.249 14.897 -14.245 436 H ASP 57 H ASP 57 -0.411 11.667 -13.455 437 HA ASP 57 HA ASP 57 -0.050 10.454 -16.063 438 HB2 ASP 57 1HB ASP 57 1.592 10.450 -14.006 439 HB3 ASP 57 2HB ASP 57 0.633 9.060 -13.505 440 HA PRO 58 HA PRO 58 -3.685 7.969 -15.919 441 HB2 PRO 58 1HB PRO 58 -2.941 6.059 -17.699 442 HB3 PRO 58 2HB PRO 58 -3.399 7.697 -18.183 443 HG2 PRO 58 1HG PRO 58 -0.669 6.520 -17.829 444 HG3 PRO 58 2HG PRO 58 -1.274 7.577 -19.117 445 HD2 PRO 58 1HD PRO 58 0.217 8.500 -17.054 446 HD3 PRO 58 2HD PRO 58 -1.039 9.480 -17.838 447 H SER 59 H SER 59 -0.819 7.163 -14.520 448 HA SER 59 HA SER 59 -1.476 4.377 -13.968 449 HB2 SER 59 1HB SER 59 0.911 6.121 -13.429 450 HB3 SER 59 2HB SER 59 0.703 4.602 -12.558 451 HG SER 59 HG SER 59 0.406 4.563 -15.332 452 H ASN 60 H ASN 60 -2.721 3.843 -12.314 453 HA ASN 60 HA ASN 60 -2.776 5.615 -9.960 454 HB2 ASN 60 1HB ASN 60 -5.138 4.757 -9.631 455 HB3 ASN 60 2HB ASN 60 -4.902 5.818 -11.016 456 HD21 ASN 60 1HD2 ASN 60 -6.120 2.896 -9.961 457 HD22 ASN 60 2HD2 ASN 60 -6.370 2.145 -11.497 458 H GLN 61 H GLN 61 -1.092 3.256 -10.532 459 HA GLN 61 HA GLN 61 -2.040 1.463 -8.396 460 HB2 GLN 61 1HB GLN 61 -0.555 -0.249 -9.410 461 HB3 GLN 61 2HB GLN 61 -1.834 0.285 -10.492 462 HG2 GLN 61 1HG GLN 61 -0.110 1.889 -11.464 463 HG3 GLN 61 2HG GLN 61 1.089 0.933 -10.593 464 HE21 GLN 61 1HE2 GLN 61 0.368 -1.583 -10.893 465 HE22 GLN 61 2HE2 GLN 61 0.296 -2.039 -12.557 466 H ILE 62 H ILE 62 -1.001 1.637 -6.534 467 HA ILE 62 HA ILE 62 1.412 3.150 -6.283 468 HB ILE 62 HB ILE 62 -0.249 1.581 -4.333 469 HG12 ILE 62 1HG1 ILE 62 0.503 4.505 -4.348 470 HG13 ILE 62 2HG1 ILE 62 -0.922 3.880 -5.170 471 HG21 ILE 62 1HG2 ILE 62 1.982 1.214 -3.578 472 HG22 ILE 62 2HG2 ILE 62 2.407 2.905 -3.834 473 HG23 ILE 62 3HG2 ILE 62 1.275 2.465 -2.557 474 HD11 ILE 62 1HD1 ILE 62 -1.941 4.371 -3.241 475 HD12 ILE 62 2HD1 ILE 62 -1.260 2.837 -2.700 476 HD13 ILE 62 3HD1 ILE 62 -0.436 4.350 -2.321 477 H LYS 63 H LYS 63 3.457 2.442 -5.647 478 HA LYS 63 HA LYS 63 3.969 -0.421 -6.126 479 HB2 LYS 63 1HB LYS 63 4.934 1.231 -7.779 480 HB3 LYS 63 2HB LYS 63 5.944 1.837 -6.472 481 HG2 LYS 63 1HG LYS 63 5.995 -1.078 -7.030 482 HG3 LYS 63 2HG LYS 63 6.799 0.006 -8.168 483 HD2 LYS 63 1HD LYS 63 7.322 0.398 -5.269 484 HD3 LYS 63 2HD LYS 63 8.053 -1.002 -6.056 485 HE2 LYS 63 1HE LYS 63 9.696 0.523 -6.447 486 HE3 LYS 63 2HE LYS 63 8.695 0.831 -7.864 487 HZ1 LYS 63 1HZ LYS 63 9.323 2.561 -5.691 488 HZ2 LYS 63 2HZ LYS 63 7.650 2.428 -5.897 489 HZ3 LYS 63 3HZ LYS 63 8.623 2.929 -7.186 490 H ILE 64 H ILE 64 4.815 -1.577 -4.517 491 HA ILE 64 HA ILE 64 5.984 -0.127 -2.232 492 HB ILE 64 HB ILE 64 5.265 -2.446 -1.086 493 HG12 ILE 64 1HG1 ILE 64 3.095 -1.904 -3.122 494 HG13 ILE 64 2HG1 ILE 64 4.224 -3.252 -3.197 495 HG21 ILE 64 1HG2 ILE 64 3.163 -0.346 -1.378 496 HG22 ILE 64 2HG2 ILE 64 3.674 -1.228 0.060 497 HG23 ILE 64 3HG2 ILE 64 4.697 0.046 -0.603 498 HD11 ILE 64 1HD1 ILE 64 1.738 -3.167 -1.926 499 HD12 ILE 64 2HD1 ILE 64 2.940 -4.456 -1.862 500 HD13 ILE 64 3HD1 ILE 64 2.941 -3.188 -0.636 501 H THR 65 H THR 65 8.098 -0.438 -2.107 502 HA THR 65 HA THR 65 9.198 -3.039 -2.954 503 HB THR 65 HB THR 65 10.779 -0.478 -2.779 504 HG1 THR 65 HG1 THR 65 9.851 -1.496 -5.234 505 HG21 THR 65 1HG2 THR 65 12.038 -1.861 -4.624 506 HG22 THR 65 2HG2 THR 65 11.230 -3.226 -3.855 507 HG23 THR 65 3HG2 THR 65 12.308 -2.196 -2.914 508 H GLY 66 H GLY 66 10.612 -4.119 -1.626 509 HA2 GLY 66 1HA GLY 66 12.152 -3.377 0.429 510 HA3 GLY 66 2HA GLY 66 10.560 -3.317 1.169 511 H THR 67 H THR 67 11.192 -4.965 2.629 512 HA THR 67 HA THR 67 11.967 -7.554 1.633 513 HB THR 67 HB THR 67 11.774 -8.273 4.008 514 HG1 THR 67 HG1 THR 67 11.302 -5.559 4.661 515 HG21 THR 67 1HG2 THR 67 13.879 -7.574 4.215 516 HG22 THR 67 2HG2 THR 67 13.334 -5.924 4.514 517 HG23 THR 67 3HG2 THR 67 13.620 -6.473 2.863 518 H LYS 68 H LYS 68 10.753 -9.432 1.620 519 HA LYS 68 HA LYS 68 8.197 -9.441 0.752 520 HB2 LYS 68 1HB LYS 68 9.543 -11.459 0.790 521 HB3 LYS 68 2HB LYS 68 9.491 -11.501 2.548 522 HG2 LYS 68 1HG LYS 68 7.942 -13.108 1.844 523 HG3 LYS 68 2HG LYS 68 6.972 -11.712 2.321 524 HD2 LYS 68 1HD LYS 68 7.059 -11.041 -0.148 525 HD3 LYS 68 2HD LYS 68 7.625 -12.687 -0.444 526 HE2 LYS 68 1HE LYS 68 5.595 -13.529 0.718 527 HE3 LYS 68 2HE LYS 68 5.022 -11.866 0.840 528 HZ1 LYS 68 1HZ LYS 68 5.764 -12.933 -1.794 529 HZ2 LYS 68 2HZ LYS 68 4.632 -11.741 -1.399 530 HZ3 LYS 68 3HZ LYS 68 4.274 -13.370 -1.124 531 H GLU 69 H GLU 69 9.227 -9.288 4.115 532 HA GLU 69 HA GLU 69 6.569 -9.517 5.171 533 HB2 GLU 69 1HB GLU 69 9.145 -8.606 6.463 534 HB3 GLU 69 2HB GLU 69 7.637 -8.886 7.324 535 HG2 GLU 69 1HG GLU 69 8.934 -11.036 5.691 536 HG3 GLU 69 2HG GLU 69 9.400 -10.728 7.363 537 H GLY 70 H GLY 70 8.867 -6.854 4.677 538 HA2 GLY 70 1HA GLY 70 7.323 -4.805 5.799 539 HA3 GLY 70 2HA GLY 70 8.553 -4.584 4.565 540 H ILE 71 H ILE 71 7.693 -5.547 2.328 541 HA ILE 71 HA ILE 71 5.825 -3.783 1.340 542 HB ILE 71 HB ILE 71 6.384 -6.556 0.281 543 HG12 ILE 71 1HG1 ILE 71 7.661 -3.911 -0.443 544 HG13 ILE 71 2HG1 ILE 71 8.406 -5.138 0.575 545 HG21 ILE 71 1HG2 ILE 71 4.714 -4.350 -0.662 546 HG22 ILE 71 2HG2 ILE 71 5.848 -4.959 -1.867 547 HG23 ILE 71 3HG2 ILE 71 4.699 -6.058 -1.105 548 HD11 ILE 71 1HD1 ILE 71 8.022 -5.074 -2.353 549 HD12 ILE 71 2HD1 ILE 71 9.369 -5.687 -1.393 550 HD13 ILE 71 3HD1 ILE 71 7.895 -6.641 -1.555 551 H GLU 72 H GLU 72 5.300 -7.034 2.626 552 HA GLU 72 HA GLU 72 2.613 -7.336 1.941 553 HB2 GLU 72 1HB GLU 72 4.308 -8.440 4.158 554 HB3 GLU 72 2HB GLU 72 2.586 -8.793 4.095 555 HG2 GLU 72 1HG GLU 72 4.443 -9.323 1.796 556 HG3 GLU 72 2HG GLU 72 4.116 -10.503 3.063 557 H LYS 73 H LYS 73 4.029 -6.059 4.946 558 HA LYS 73 HA LYS 73 1.713 -5.491 6.333 559 HB2 LYS 73 1HB LYS 73 4.397 -4.135 6.273 560 HB3 LYS 73 2HB LYS 73 3.108 -3.553 7.318 561 HG2 LYS 73 1HG LYS 73 3.078 -5.548 8.567 562 HG3 LYS 73 2HG LYS 73 4.053 -6.402 7.368 563 HD2 LYS 73 1HD LYS 73 5.970 -5.004 7.899 564 HD3 LYS 73 2HD LYS 73 5.000 -4.080 9.049 565 HE2 LYS 73 1HE LYS 73 4.654 -6.138 10.363 566 HE3 LYS 73 2HE LYS 73 5.689 -7.012 9.235 567 HZ1 LYS 73 1HZ LYS 73 6.917 -4.637 10.273 568 HZ2 LYS 73 2HZ LYS 73 7.514 -6.218 10.203 569 HZ3 LYS 73 3HZ LYS 73 6.518 -5.745 11.487 570 H ALA 74 H ALA 74 3.463 -3.340 4.098 571 HA ALA 74 HA ALA 74 1.596 -1.221 4.252 572 HB1 ALA 74 1HB ALA 74 2.729 -0.694 1.922 573 HB2 ALA 74 2HB ALA 74 3.590 -0.466 3.445 574 HB3 ALA 74 3HB ALA 74 3.875 -1.914 2.477 575 H ARG 75 H ARG 75 1.889 -4.024 2.141 576 HA ARG 75 HA ARG 75 -0.047 -3.248 0.239 577 HB2 ARG 75 1HB ARG 75 1.726 -5.217 0.276 578 HB3 ARG 75 2HB ARG 75 0.357 -6.129 0.899 579 HG2 ARG 75 1HG ARG 75 -0.909 -5.742 -1.065 580 HG3 ARG 75 2HG ARG 75 0.242 -4.539 -1.648 581 HD2 ARG 75 1HD ARG 75 1.960 -6.395 -1.684 582 HD3 ARG 75 2HD ARG 75 0.624 -7.515 -1.413 583 HE ARG 75 HE ARG 75 0.198 -5.771 -3.648 584 HH11 ARG 75 1HH1 ARG 75 1.694 -8.734 -2.597 585 HH12 ARG 75 2HH1 ARG 75 1.689 -9.449 -4.175 586 HH21 ARG 75 1HH2 ARG 75 0.186 -6.702 -5.730 587 HH22 ARG 75 2HH2 ARG 75 0.832 -8.292 -5.957 588 H HIS 76 H HIS 76 -0.265 -4.798 3.367 589 HA HIS 76 HA HIS 76 -3.003 -5.599 3.074 590 HB2 HIS 76 1HB HIS 76 -1.252 -6.627 4.637 591 HB3 HIS 76 2HB HIS 76 -1.547 -5.245 5.689 592 HD1 HIS 76 HD1 HIS 76 -3.277 -8.284 4.283 593 HD2 HIS 76 HD2 HIS 76 -3.837 -5.394 7.215 594 HE1 HIS 76 HE1 HIS 76 -5.245 -9.071 5.636 595 H GLU 77 H GLU 77 -1.320 -2.946 4.723 596 HA GLU 77 HA GLU 77 -3.611 -1.763 5.855 597 HB2 GLU 77 1HB GLU 77 -0.928 -0.600 5.107 598 HB3 GLU 77 2HB GLU 77 -2.164 0.302 5.972 599 HG2 GLU 77 1HG GLU 77 -0.989 -2.285 6.952 600 HG3 GLU 77 2HG GLU 77 -0.386 -0.692 7.407 601 H VAL 78 H VAL 78 -1.904 -1.150 2.807 602 HA VAL 78 HA VAL 78 -3.531 1.000 1.965 603 HB VAL 78 HB VAL 78 -1.259 0.338 1.030 604 HG11 VAL 78 1HG1 VAL 78 -1.910 -2.045 0.637 605 HG12 VAL 78 2HG1 VAL 78 -2.906 -1.490 -0.710 606 HG13 VAL 78 3HG1 VAL 78 -1.158 -1.253 -0.747 607 HG21 VAL 78 1HG2 VAL 78 -1.844 1.126 -1.258 608 HG22 VAL 78 2HG2 VAL 78 -3.548 0.972 -0.828 609 HG23 VAL 78 3HG2 VAL 78 -2.520 2.118 0.032 610 H LEU 79 H LEU 79 -3.773 -2.487 1.561 611 HA LEU 79 HA LEU 79 -5.941 -2.380 -0.301 612 HB2 LEU 79 1HB LEU 79 -4.541 -4.493 1.247 613 HB3 LEU 79 2HB LEU 79 -6.152 -4.856 0.631 614 HG LEU 79 HG LEU 79 -3.982 -3.847 -1.182 615 HD11 LEU 79 1HD1 LEU 79 -3.653 -6.125 0.276 616 HD12 LEU 79 2HD1 LEU 79 -2.946 -5.824 -1.311 617 HD13 LEU 79 3HD1 LEU 79 -4.450 -6.734 -1.175 618 HD21 LEU 79 1HD2 LEU 79 -5.425 -5.429 -2.701 619 HD22 LEU 79 2HD2 LEU 79 -5.953 -3.783 -2.352 620 HD23 LEU 79 3HD2 LEU 79 -6.652 -5.139 -1.467 621 H LEU 80 H LEU 80 -5.649 -2.668 3.190 622 HA LEU 80 HA LEU 80 -8.342 -3.328 3.725 623 HB2 LEU 80 1HB LEU 80 -6.057 -2.265 5.298 624 HB3 LEU 80 2HB LEU 80 -7.673 -2.132 5.990 625 HG LEU 80 HG LEU 80 -6.293 -4.691 5.176 626 HD11 LEU 80 1HD1 LEU 80 -5.459 -3.499 7.240 627 HD12 LEU 80 2HD1 LEU 80 -6.042 -5.145 7.479 628 HD13 LEU 80 3HD1 LEU 80 -7.055 -3.777 7.938 629 HD21 LEU 80 1HD2 LEU 80 -8.323 -5.567 6.590 630 HD22 LEU 80 2HD2 LEU 80 -8.501 -5.227 4.868 631 HD23 LEU 80 3HD2 LEU 80 -9.066 -4.057 6.063 632 H ILE 81 H ILE 81 -6.624 -0.217 3.717 633 HA ILE 81 HA ILE 81 -8.831 1.373 4.433 634 HB ILE 81 HB ILE 81 -6.367 2.100 2.846 635 HG12 ILE 81 1HG1 ILE 81 -6.934 2.840 5.701 636 HG13 ILE 81 2HG1 ILE 81 -6.259 1.261 5.312 637 HG21 ILE 81 1HG2 ILE 81 -8.216 3.665 2.432 638 HG22 ILE 81 2HG2 ILE 81 -8.372 3.924 4.169 639 HG23 ILE 81 3HG2 ILE 81 -6.900 4.418 3.332 640 HD11 ILE 81 1HD1 ILE 81 -4.955 3.802 5.510 641 HD12 ILE 81 2HD1 ILE 81 -4.257 2.191 5.342 642 HD13 ILE 81 3HD1 ILE 81 -4.709 3.111 3.907 643 H SER 82 H SER 82 -7.368 0.872 1.216 644 HA SER 82 HA SER 82 -9.305 2.252 -0.245 645 HB2 SER 82 1HB SER 82 -7.708 -0.136 -1.196 646 HB3 SER 82 2HB SER 82 -8.430 1.120 -2.201 647 HG SER 82 HG SER 82 -6.028 1.104 -1.095 648 H ALA 83 H ALA 83 -9.229 -1.056 0.918 649 HA ALA 83 HA ALA 83 -11.390 -2.054 -0.597 650 HB1 ALA 83 1HB ALA 83 -10.023 -3.666 0.401 651 HB2 ALA 83 2HB ALA 83 -10.130 -2.906 1.989 652 HB3 ALA 83 3HB ALA 83 -11.528 -3.745 1.317 653 H GLU 84 H GLU 84 -11.242 -0.637 2.659 654 HA GLU 84 HA GLU 84 -13.892 -0.960 3.402 655 HB2 GLU 84 1HB GLU 84 -11.751 0.989 4.110 656 HB3 GLU 84 2HB GLU 84 -13.395 1.353 4.616 657 HG2 GLU 84 1HG GLU 84 -12.327 -1.356 5.184 658 HG3 GLU 84 2HG GLU 84 -11.731 -0.004 6.144 659 H GLN 85 H GLN 85 -12.406 1.639 1.509 660 HA GLN 85 HA GLN 85 -14.614 3.323 1.299 661 HB2 GLN 85 1HB GLN 85 -12.560 2.860 -0.864 662 HB3 GLN 85 2HB GLN 85 -13.519 4.310 -0.600 663 HG2 GLN 85 1HG GLN 85 -11.347 3.238 1.186 664 HG3 GLN 85 2HG GLN 85 -11.263 4.666 0.156 665 HE21 GLN 85 1HE2 GLN 85 -10.641 5.010 2.714 666 HE22 GLN 85 2HE2 GLN 85 -11.894 5.841 3.564 667 H ASP 86 H ASP 86 -13.588 0.690 -0.859 668 HA ASP 86 HA ASP 86 -15.510 0.878 -2.813 669 HB2 ASP 86 1HB ASP 86 -13.973 -1.394 -1.645 670 HB3 ASP 86 2HB ASP 86 -15.313 -1.775 -2.723 671 H LYS 87 H LYS 87 -15.788 -0.617 0.374 672 HA LYS 87 HA LYS 87 -18.564 -1.343 -0.136 673 HB2 LYS 87 1HB LYS 87 -16.731 -2.696 1.204 674 HB3 LYS 87 2HB LYS 87 -17.267 -1.678 2.534 675 HG2 LYS 87 1HG LYS 87 -19.433 -2.560 2.489 676 HG3 LYS 87 2HG LYS 87 -19.207 -3.259 0.885 677 HD2 LYS 87 1HD LYS 87 -17.454 -4.154 3.128 678 HD3 LYS 87 2HD LYS 87 -19.105 -4.769 3.027 679 HE2 LYS 87 1HE LYS 87 -17.367 -4.828 0.601 680 HE3 LYS 87 2HE LYS 87 -17.128 -6.038 1.861 681 HZ1 LYS 87 1HZ LYS 87 -18.716 -6.612 -0.010 682 HZ2 LYS 87 2HZ LYS 87 -19.793 -5.512 0.692 683 HZ3 LYS 87 3HZ LYS 87 -19.277 -6.866 1.566 684 H ARG 88 H ARG 88 -17.781 1.467 -0.038 685 HA ARG 88 HA ARG 88 -18.265 2.815 2.289 686 HB2 ARG 88 1HB ARG 88 -19.009 4.687 0.950 687 HB3 ARG 88 2HB ARG 88 -17.685 3.874 0.125 688 HG2 ARG 88 1HG ARG 88 -20.573 3.348 -0.517 689 HG3 ARG 88 2HG ARG 88 -19.617 4.598 -1.316 690 HD2 ARG 88 1HD ARG 88 -17.939 2.699 -1.787 691 HD3 ARG 88 2HD ARG 88 -19.278 1.621 -1.398 692 HE ARG 88 HE ARG 88 -18.932 3.130 -3.796 693 HH11 ARG 88 1HH1 ARG 88 -21.313 1.800 -1.632 694 HH12 ARG 88 2HH1 ARG 88 -22.543 1.686 -2.846 695 HH21 ARG 88 1HH2 ARG 88 -20.544 2.986 -5.404 696 HH22 ARG 88 2HH2 ARG 88 -22.104 2.360 -4.992 697 H SER 89 H SER 89 -20.497 0.945 0.442 698 HA SER 89 HA SER 89 -22.589 1.546 2.402 699 HB2 SER 89 1HB SER 89 -22.970 2.922 0.327 700 HB3 SER 89 2HB SER 89 -23.158 1.413 -0.566 701 HG SER 89 HG SER 89 -24.968 0.945 0.616 702 H GLY 90 H GLY 90 -23.699 -0.208 3.068 703 HA2 GLY 90 1HA GLY 90 -24.006 -2.561 1.465 704 HA3 GLY 90 2HA GLY 90 -22.787 -2.772 2.713 705 HA PRO 91 HA PRO 91 -27.187 -3.554 4.307 706 HB2 PRO 91 1HB PRO 91 -27.002 -6.249 4.581 707 HB3 PRO 91 2HB PRO 91 -27.583 -5.470 3.103 708 HG2 PRO 91 1HG PRO 91 -24.871 -6.576 3.721 709 HG3 PRO 91 2HG PRO 91 -25.829 -6.727 2.237 710 HD2 PRO 91 1HD PRO 91 -23.795 -4.956 2.483 711 HD3 PRO 91 2HD PRO 91 -25.226 -4.633 1.485 712 H SER 92 H SER 92 -27.705 -4.158 6.460 713 HA SER 92 HA SER 92 -25.437 -3.992 8.264 714 HB2 SER 92 1HB SER 92 -27.470 -2.603 8.624 715 HB3 SER 92 2HB SER 92 -28.394 -4.077 8.909 716 HG SER 92 HG SER 92 -27.398 -2.836 10.778 717 H SER 93 H SER 93 -25.479 -5.379 10.266 718 HA SER 93 HA SER 93 -26.017 -8.162 9.480 719 HB2 SER 93 1HB SER 93 -23.665 -7.727 9.911 720 HB3 SER 93 2HB SER 93 -24.049 -7.038 11.488 721 HG SER 93 HG SER 93 -25.138 -9.420 11.450 722 H GLY 94 H GLY 94 -27.428 -9.362 10.597 723 HA2 GLY 94 1HA GLY 94 -28.013 -8.927 13.361 724 HA3 GLY 94 2HA GLY 94 -29.296 -8.318 12.327 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -1.007 -20.107 -23.075 2 HA2 GLY 1 1HA GLY 1 -3.157 -19.778 -21.813 3 HA3 GLY 1 2HA GLY 1 -3.722 -21.203 -22.673 4 H SER 2 H SER 2 -2.933 -20.330 -19.745 5 HA SER 2 HA SER 2 -2.264 -22.967 -18.893 6 HB2 SER 2 1HB SER 2 -0.125 -20.862 -18.954 7 HB3 SER 2 2HB SER 2 -0.118 -22.088 -17.687 8 HG SER 2 HG SER 2 1.085 -22.571 -19.688 9 H SER 3 H SER 3 -2.030 -23.089 -16.505 10 HA SER 3 HA SER 3 -2.959 -20.771 -15.018 11 HB2 SER 3 1HB SER 3 -4.878 -21.942 -14.046 12 HB3 SER 3 2HB SER 3 -5.043 -21.842 -15.799 13 HG SER 3 HG SER 3 -4.155 -24.087 -14.303 14 H GLY 4 H GLY 4 -3.037 -21.236 -12.642 15 HA2 GLY 4 1HA GLY 4 -1.564 -23.555 -11.725 16 HA3 GLY 4 2HA GLY 4 -0.688 -22.036 -11.590 17 H SER 5 H SER 5 -1.035 -20.779 -9.859 18 HA SER 5 HA SER 5 -1.823 -20.077 -7.844 19 HB2 SER 5 1HB SER 5 -4.345 -20.979 -9.198 20 HB3 SER 5 2HB SER 5 -4.387 -20.468 -7.511 21 HG SER 5 HG SER 5 -4.476 -18.924 -9.601 22 H SER 6 H SER 6 -0.474 -22.400 -7.713 23 HA SER 6 HA SER 6 -1.552 -23.608 -5.358 24 HB2 SER 6 1HB SER 6 -2.845 -24.873 -6.994 25 HB3 SER 6 2HB SER 6 -1.372 -25.287 -7.871 26 HG SER 6 HG SER 6 -2.437 -26.399 -5.605 27 H GLY 7 H GLY 7 0.080 -24.237 -4.085 28 HA2 GLY 7 1HA GLY 7 2.332 -25.655 -4.685 29 HA3 GLY 7 2HA GLY 7 2.780 -23.995 -5.048 30 H ASP 8 H ASP 8 4.305 -25.026 -3.225 31 HA ASP 8 HA ASP 8 3.224 -24.096 -0.645 32 HB2 ASP 8 1HB ASP 8 5.356 -26.196 -1.096 33 HB3 ASP 8 2HB ASP 8 4.731 -25.670 0.465 34 H ILE 9 H ILE 9 4.708 -23.034 0.782 35 HA ILE 9 HA ILE 9 6.375 -21.160 -0.539 36 HB ILE 9 HB ILE 9 6.189 -21.794 2.408 37 HG12 ILE 9 1HG1 ILE 9 4.952 -19.412 1.076 38 HG13 ILE 9 2HG1 ILE 9 4.123 -20.964 1.015 39 HG21 ILE 9 1HG2 ILE 9 8.207 -20.631 2.108 40 HG22 ILE 9 2HG2 ILE 9 7.505 -19.557 0.899 41 HG23 ILE 9 3HG2 ILE 9 7.039 -19.402 2.593 42 HD11 ILE 9 1HD1 ILE 9 4.864 -19.380 3.457 43 HD12 ILE 9 2HD1 ILE 9 3.248 -19.741 2.849 44 HD13 ILE 9 3HD1 ILE 9 4.253 -21.033 3.507 45 H VAL 10 H VAL 10 8.487 -21.198 -0.986 46 HA VAL 10 HA VAL 10 10.143 -23.297 0.255 47 HB VAL 10 HB VAL 10 10.229 -22.401 -2.630 48 HG11 VAL 10 1HG1 VAL 10 12.440 -22.842 -2.260 49 HG12 VAL 10 2HG1 VAL 10 12.110 -23.978 -0.950 50 HG13 VAL 10 3HG1 VAL 10 11.872 -24.470 -2.628 51 HG21 VAL 10 1HG2 VAL 10 8.878 -24.104 -3.088 52 HG22 VAL 10 2HG2 VAL 10 9.935 -25.224 -2.229 53 HG23 VAL 10 3HG2 VAL 10 8.668 -24.361 -1.356 54 H ALA 11 H ALA 11 11.792 -22.480 1.350 55 HA ALA 11 HA ALA 11 12.482 -19.721 1.237 56 HB1 ALA 11 1HB ALA 11 13.029 -20.350 3.310 57 HB2 ALA 11 2HB ALA 11 13.211 -22.042 2.848 58 HB3 ALA 11 3HB ALA 11 14.541 -20.912 2.597 59 H ARG 12 H ARG 12 13.147 -19.266 -0.872 60 HA ARG 12 HA ARG 12 15.706 -20.485 -1.677 61 HB2 ARG 12 1HB ARG 12 13.553 -20.719 -3.141 62 HB3 ARG 12 2HB ARG 12 13.905 -19.058 -3.601 63 HG2 ARG 12 1HG ARG 12 16.043 -19.695 -4.486 64 HG3 ARG 12 2HG ARG 12 15.846 -21.341 -3.881 65 HD2 ARG 12 1HD ARG 12 15.217 -21.638 -6.059 66 HD3 ARG 12 2HD ARG 12 13.655 -21.254 -5.338 67 HE ARG 12 HE ARG 12 14.531 -18.835 -6.094 68 HH11 ARG 12 1HH1 ARG 12 14.363 -21.880 -7.775 69 HH12 ARG 12 2HH1 ARG 12 14.144 -21.156 -9.334 70 HH21 ARG 12 1HH2 ARG 12 14.244 -17.871 -8.142 71 HH22 ARG 12 2HH2 ARG 12 14.078 -18.876 -9.541 72 H LEU 13 H LEU 13 17.259 -19.099 -2.714 73 HA LEU 13 HA LEU 13 17.405 -16.514 -1.457 74 HB2 LEU 13 1HB LEU 13 19.247 -17.885 -3.407 75 HB3 LEU 13 2HB LEU 13 19.597 -16.363 -2.593 76 HG LEU 13 HG LEU 13 19.009 -18.788 -0.954 77 HD11 LEU 13 1HD1 LEU 13 21.232 -19.576 -1.070 78 HD12 LEU 13 2HD1 LEU 13 21.756 -18.184 -2.017 79 HD13 LEU 13 3HD1 LEU 13 20.690 -19.390 -2.738 80 HD21 LEU 13 1HD2 LEU 13 21.192 -17.060 -0.171 81 HD22 LEU 13 2HD2 LEU 13 19.730 -17.500 0.712 82 HD23 LEU 13 3HD2 LEU 13 19.702 -16.152 -0.425 83 H GLN 14 H GLN 14 16.292 -14.864 -2.270 84 HA GLN 14 HA GLN 14 16.453 -14.373 -5.161 85 HB2 GLN 14 1HB GLN 14 13.986 -14.294 -3.431 86 HB3 GLN 14 2HB GLN 14 14.077 -13.467 -4.980 87 HG2 GLN 14 1HG GLN 14 14.813 -15.820 -5.851 88 HG3 GLN 14 2HG GLN 14 14.008 -16.382 -4.387 89 HE21 GLN 14 1HE2 GLN 14 11.784 -15.390 -4.059 90 HE22 GLN 14 2HE2 GLN 14 10.769 -15.315 -5.455 91 H THR 15 H THR 15 16.374 -12.183 -5.789 92 HA THR 15 HA THR 15 17.562 -10.391 -3.907 93 HB THR 15 HB THR 15 17.251 -8.704 -5.815 94 HG1 THR 15 HG1 THR 15 15.568 -10.287 -6.746 95 HG21 THR 15 1HG2 THR 15 19.099 -9.635 -7.082 96 HG22 THR 15 2HG2 THR 15 18.784 -11.237 -6.413 97 HG23 THR 15 3HG2 THR 15 19.347 -9.938 -5.362 98 H GLN 16 H GLN 16 16.595 -7.966 -4.163 99 HA GLN 16 HA GLN 16 14.458 -7.773 -2.454 100 HB2 GLN 16 1HB GLN 16 15.605 -5.902 -4.488 101 HB3 GLN 16 2HB GLN 16 14.130 -5.455 -3.642 102 HG2 GLN 16 1HG GLN 16 16.450 -6.380 -2.037 103 HG3 GLN 16 2HG GLN 16 16.505 -4.768 -2.746 104 HE21 GLN 16 1HE2 GLN 16 14.913 -6.847 -0.462 105 HE22 GLN 16 2HE2 GLN 16 14.065 -5.605 0.386 106 H ALA 17 H ALA 17 12.243 -7.195 -2.732 107 HA ALA 17 HA ALA 17 11.110 -8.116 -5.293 108 HB1 ALA 17 1HB ALA 17 9.111 -8.801 -3.961 109 HB2 ALA 17 2HB ALA 17 10.577 -9.714 -3.599 110 HB3 ALA 17 3HB ALA 17 10.034 -8.447 -2.499 111 H SER 18 H SER 18 9.130 -7.117 -5.980 112 HA SER 18 HA SER 18 8.378 -4.621 -4.679 113 HB2 SER 18 1HB SER 18 8.441 -3.583 -7.099 114 HB3 SER 18 2HB SER 18 9.896 -3.609 -6.103 115 HG SER 18 HG SER 18 10.734 -4.633 -7.732 116 H ALA 19 H ALA 19 6.242 -4.553 -4.575 117 HA ALA 19 HA ALA 19 4.684 -5.917 -6.674 118 HB1 ALA 19 1HB ALA 19 3.536 -7.027 -5.129 119 HB2 ALA 19 2HB ALA 19 4.712 -6.456 -3.946 120 HB3 ALA 19 3HB ALA 19 3.221 -5.553 -4.214 121 H THR 20 H THR 20 2.331 -5.063 -6.682 122 HA THR 20 HA THR 20 2.243 -2.166 -6.240 123 HB THR 20 HB THR 20 0.961 -2.143 -8.549 124 HG1 THR 20 HG1 THR 20 1.525 -3.722 -9.910 125 HG21 THR 20 1HG2 THR 20 2.683 -0.709 -8.715 126 HG22 THR 20 2HG2 THR 20 3.523 -2.033 -9.523 127 HG23 THR 20 3HG2 THR 20 3.763 -1.759 -7.798 128 H VAL 21 H VAL 21 0.096 -1.280 -6.194 129 HA VAL 21 HA VAL 21 -2.042 -3.274 -5.865 130 HB VAL 21 HB VAL 21 -1.428 -2.736 -3.630 131 HG11 VAL 21 1HG1 VAL 21 -1.806 0.196 -4.086 132 HG12 VAL 21 2HG1 VAL 21 -0.933 -0.630 -2.794 133 HG13 VAL 21 3HG1 VAL 21 -0.251 -0.567 -4.421 134 HG21 VAL 21 1HG2 VAL 21 -3.847 -1.147 -4.474 135 HG22 VAL 21 2HG2 VAL 21 -3.807 -2.833 -3.960 136 HG23 VAL 21 3HG2 VAL 21 -3.452 -1.551 -2.803 137 H ALA 22 H ALA 22 -3.321 -2.848 -7.562 138 HA ALA 22 HA ALA 22 -3.654 -0.303 -8.745 139 HB1 ALA 22 1HB ALA 22 -5.830 -2.253 -9.108 140 HB2 ALA 22 2HB ALA 22 -4.872 -1.381 -10.305 141 HB3 ALA 22 3HB ALA 22 -4.214 -2.821 -9.529 142 H ILE 23 H ILE 23 -4.682 1.384 -7.920 143 HA ILE 23 HA ILE 23 -7.254 0.994 -6.595 144 HB ILE 23 HB ILE 23 -6.493 2.763 -4.869 145 HG12 ILE 23 1HG1 ILE 23 -3.807 1.553 -5.553 146 HG13 ILE 23 2HG1 ILE 23 -4.307 3.175 -6.021 147 HG21 ILE 23 1HG2 ILE 23 -5.131 0.532 -3.846 148 HG22 ILE 23 2HG2 ILE 23 -6.818 0.978 -3.592 149 HG23 ILE 23 3HG2 ILE 23 -6.381 -0.100 -4.917 150 HD11 ILE 23 1HD1 ILE 23 -2.944 2.528 -3.754 151 HD12 ILE 23 2HD1 ILE 23 -3.875 4.006 -3.998 152 HD13 ILE 23 3HD1 ILE 23 -4.605 2.630 -3.172 153 HA PRO 24 HA PRO 24 -8.431 4.616 -8.777 154 HB2 PRO 24 1HB PRO 24 -10.250 5.702 -7.080 155 HB3 PRO 24 2HB PRO 24 -10.567 4.240 -8.021 156 HG2 PRO 24 1HG PRO 24 -9.741 4.506 -5.156 157 HG3 PRO 24 2HG PRO 24 -10.956 3.432 -5.875 158 HD2 PRO 24 1HD PRO 24 -8.469 2.585 -5.218 159 HD3 PRO 24 2HD PRO 24 -9.375 1.915 -6.590 160 H LYS 25 H LYS 25 -8.071 6.824 -8.928 161 HA LYS 25 HA LYS 25 -5.974 7.905 -7.406 162 HB2 LYS 25 1HB LYS 25 -6.976 8.530 -9.782 163 HB3 LYS 25 2HB LYS 25 -7.862 9.719 -8.836 164 HG2 LYS 25 1HG LYS 25 -6.059 10.986 -9.289 165 HG3 LYS 25 2HG LYS 25 -5.398 10.150 -7.883 166 HD2 LYS 25 1HD LYS 25 -5.080 8.829 -10.517 167 HD3 LYS 25 2HD LYS 25 -4.115 10.278 -10.221 168 HE2 LYS 25 1HE LYS 25 -4.225 7.927 -8.340 169 HE3 LYS 25 2HE LYS 25 -3.011 8.108 -9.604 170 HZ1 LYS 25 1HZ LYS 25 -3.424 9.793 -7.209 171 HZ2 LYS 25 2HZ LYS 25 -2.519 10.334 -8.532 172 HZ3 LYS 25 3HZ LYS 25 -2.029 8.958 -7.679 173 H GLU 26 H GLU 26 -9.205 7.533 -6.611 174 HA GLU 26 HA GLU 26 -9.372 9.895 -4.924 175 HB2 GLU 26 1HB GLU 26 -11.613 8.844 -4.290 176 HB3 GLU 26 2HB GLU 26 -11.424 9.385 -5.952 177 HG2 GLU 26 1HG GLU 26 -11.447 7.274 -6.796 178 HG3 GLU 26 2HG GLU 26 -10.758 6.564 -5.338 179 H HIS 27 H HIS 27 -8.201 6.746 -4.693 180 HA HIS 27 HA HIS 27 -8.554 6.672 -1.778 181 HB2 HIS 27 1HB HIS 27 -7.837 4.528 -3.778 182 HB3 HIS 27 2HB HIS 27 -7.713 4.289 -2.038 183 HD1 HIS 27 HD1 HIS 27 -9.578 2.442 -3.410 184 HD2 HIS 27 HD2 HIS 27 -10.785 6.193 -2.090 185 HE1 HIS 27 HE1 HIS 27 -12.075 2.296 -3.162 186 H HIS 28 H HIS 28 -6.302 7.423 -4.173 187 HA HIS 28 HA HIS 28 -3.893 6.564 -3.008 188 HB2 HIS 28 1HB HIS 28 -4.579 8.787 -4.916 189 HB3 HIS 28 2HB HIS 28 -2.929 8.552 -4.345 190 HD2 HIS 28 HD2 HIS 28 -5.046 5.401 -5.213 191 HE1 HIS 28 HE1 HIS 28 -2.134 5.940 -8.252 192 HE2 HIS 28 HE2 HIS 28 -3.972 4.460 -7.370 193 H ARG 29 H ARG 29 -5.653 9.636 -2.722 194 HA ARG 29 HA ARG 29 -3.835 10.970 -1.079 195 HB2 ARG 29 1HB ARG 29 -5.664 12.445 -0.494 196 HB3 ARG 29 2HB ARG 29 -5.764 12.041 -2.202 197 HG2 ARG 29 1HG ARG 29 -7.567 10.537 -1.825 198 HG3 ARG 29 2HG ARG 29 -7.363 10.641 -0.075 199 HD2 ARG 29 1HD ARG 29 -9.226 12.002 -0.637 200 HD3 ARG 29 2HD ARG 29 -7.889 13.090 -0.263 201 HE ARG 29 HE ARG 29 -7.712 12.821 -2.941 202 HH11 ARG 29 1HH1 ARG 29 -10.342 13.618 -0.803 203 HH12 ARG 29 2HH1 ARG 29 -11.157 14.613 -1.964 204 HH21 ARG 29 1HH2 ARG 29 -8.776 14.129 -4.478 205 HH22 ARG 29 2HH2 ARG 29 -10.265 14.903 -4.055 206 H PHE 30 H PHE 30 -6.443 8.733 -0.281 207 HA PHE 30 HA PHE 30 -6.441 9.073 2.498 208 HB2 PHE 30 1HB PHE 30 -7.302 6.899 0.641 209 HB3 PHE 30 2HB PHE 30 -7.203 6.536 2.361 210 HD1 PHE 30 HD1 PHE 30 -8.317 8.452 3.881 211 HD2 PHE 30 HD2 PHE 30 -9.334 7.574 -0.158 212 HE1 PHE 30 HE1 PHE 30 -10.532 9.467 4.222 213 HE2 PHE 30 HE2 PHE 30 -11.550 8.588 0.176 214 HZ PHE 30 HZ PHE 30 -12.151 9.538 2.367 215 H VAL 31 H VAL 31 -4.283 7.349 0.390 216 HA VAL 31 HA VAL 31 -3.033 5.869 2.545 217 HB VAL 31 HB VAL 31 -2.242 6.141 -0.359 218 HG11 VAL 31 1HG1 VAL 31 -0.909 4.044 0.191 219 HG12 VAL 31 2HG1 VAL 31 -0.274 5.574 0.800 220 HG13 VAL 31 3HG1 VAL 31 -1.132 4.478 1.884 221 HG21 VAL 31 1HG2 VAL 31 -3.625 3.885 1.089 222 HG22 VAL 31 2HG2 VAL 31 -4.400 5.022 -0.013 223 HG23 VAL 31 3HG2 VAL 31 -3.173 3.908 -0.615 224 H ILE 32 H ILE 32 -2.546 8.829 0.791 225 HA ILE 32 HA ILE 32 0.186 9.182 1.630 226 HB ILE 32 HB ILE 32 -1.762 11.127 0.386 227 HG12 ILE 32 1HG1 ILE 32 0.609 9.703 -0.837 228 HG13 ILE 32 2HG1 ILE 32 -1.057 9.160 -1.002 229 HG21 ILE 32 1HG2 ILE 32 -0.050 12.275 1.712 230 HG22 ILE 32 2HG2 ILE 32 1.207 11.419 0.822 231 HG23 ILE 32 3HG2 ILE 32 0.159 12.565 -0.015 232 HD11 ILE 32 1HD1 ILE 32 -1.645 11.067 -2.264 233 HD12 ILE 32 2HD1 ILE 32 -0.128 11.878 -1.873 234 HD13 ILE 32 3HD1 ILE 32 -0.126 10.467 -2.930 235 H GLY 33 H GLY 33 -2.950 10.615 2.511 236 HA2 GLY 33 1HA GLY 33 -3.263 10.887 4.974 237 HA3 GLY 33 2HA GLY 33 -1.668 11.626 4.974 238 H LYS 34 H LYS 34 -4.484 12.571 5.659 239 HA LYS 34 HA LYS 34 -5.644 14.359 4.052 240 HB2 LYS 34 1HB LYS 34 -5.868 15.890 6.081 241 HB3 LYS 34 2HB LYS 34 -6.446 14.239 6.264 242 HG2 LYS 34 1HG LYS 34 -4.332 13.653 7.387 243 HG3 LYS 34 2HG LYS 34 -3.827 15.339 7.262 244 HD2 LYS 34 1HD LYS 34 -6.367 14.475 8.631 245 HD3 LYS 34 2HD LYS 34 -4.828 14.653 9.476 246 HE2 LYS 34 1HE LYS 34 -4.754 16.965 9.079 247 HE3 LYS 34 2HE LYS 34 -5.992 16.875 7.828 248 HZ1 LYS 34 1HZ LYS 34 -6.306 16.774 10.751 249 HZ2 LYS 34 2HZ LYS 34 -7.466 16.044 9.760 250 HZ3 LYS 34 3HZ LYS 34 -7.152 17.701 9.617 251 H ASN 35 H ASN 35 -2.610 14.991 5.791 252 HA ASN 35 HA ASN 35 -2.184 17.323 4.043 253 HB2 ASN 35 1HB ASN 35 -0.758 16.782 6.648 254 HB3 ASN 35 2HB ASN 35 -0.828 18.293 5.747 255 HD21 ASN 35 1HD2 ASN 35 -3.741 17.718 5.214 256 HD22 ASN 35 2HD2 ASN 35 -4.539 18.197 6.669 257 H GLY 36 H GLY 36 -0.830 14.321 5.220 258 HA2 GLY 36 1HA GLY 36 0.575 13.266 3.380 259 HA3 GLY 36 2HA GLY 36 1.528 14.737 3.495 260 H GLU 37 H GLU 37 0.096 12.809 6.102 261 HA GLU 37 HA GLU 37 2.814 12.418 7.165 262 HB2 GLU 37 1HB GLU 37 0.314 12.217 8.819 263 HB3 GLU 37 2HB GLU 37 1.962 12.524 9.348 264 HG2 GLU 37 1HG GLU 37 0.665 14.509 7.562 265 HG3 GLU 37 2HG GLU 37 0.160 14.437 9.249 266 H LYS 38 H LYS 38 -0.294 10.875 6.567 267 HA LYS 38 HA LYS 38 0.036 8.413 7.719 268 HB2 LYS 38 1HB LYS 38 -2.025 8.941 6.633 269 HB3 LYS 38 2HB LYS 38 -1.228 9.145 5.078 270 HG2 LYS 38 1HG LYS 38 -2.396 7.067 5.056 271 HG3 LYS 38 2HG LYS 38 -0.665 6.725 5.117 272 HD2 LYS 38 1HD LYS 38 -0.757 6.102 7.379 273 HD3 LYS 38 2HD LYS 38 -2.341 6.848 7.608 274 HE2 LYS 38 1HE LYS 38 -3.299 5.158 6.062 275 HE3 LYS 38 2HE LYS 38 -1.719 4.380 5.990 276 HZ1 LYS 38 1HZ LYS 38 -2.826 3.191 7.614 277 HZ2 LYS 38 2HZ LYS 38 -3.590 4.555 8.261 278 HZ3 LYS 38 3HZ LYS 38 -1.939 4.301 8.534 279 H LEU 39 H LEU 39 0.759 9.001 4.274 280 HA LEU 39 HA LEU 39 2.040 6.717 3.620 281 HB2 LEU 39 1HB LEU 39 1.894 8.146 1.850 282 HB3 LEU 39 2HB LEU 39 2.408 9.542 2.797 283 HG LEU 39 HG LEU 39 4.740 8.527 2.740 284 HD11 LEU 39 1HD1 LEU 39 3.728 6.284 1.930 285 HD12 LEU 39 2HD1 LEU 39 5.266 6.830 1.262 286 HD13 LEU 39 3HD1 LEU 39 3.780 7.034 0.335 287 HD21 LEU 39 1HD2 LEU 39 3.782 9.205 -0.010 288 HD22 LEU 39 2HD2 LEU 39 5.263 9.695 0.816 289 HD23 LEU 39 3HD2 LEU 39 3.717 10.411 1.275 290 H GLN 40 H GLN 40 3.545 9.489 5.249 291 HA GLN 40 HA GLN 40 6.153 8.555 5.376 292 HB2 GLN 40 1HB GLN 40 4.792 10.109 7.575 293 HB3 GLN 40 2HB GLN 40 6.501 10.111 7.162 294 HG2 GLN 40 1HG GLN 40 5.723 11.029 4.887 295 HG3 GLN 40 2HG GLN 40 4.216 11.392 5.724 296 HE21 GLN 40 1HE2 GLN 40 7.658 11.626 6.562 297 HE22 GLN 40 2HE2 GLN 40 7.599 13.281 7.056 298 H ASP 41 H ASP 41 3.695 8.297 7.952 299 HA ASP 41 HA ASP 41 5.105 6.692 9.697 300 HB2 ASP 41 1HB ASP 41 2.801 7.782 10.001 301 HB3 ASP 41 2HB ASP 41 2.149 6.339 9.228 302 H LEU 42 H LEU 42 3.189 5.741 6.888 303 HA LEU 42 HA LEU 42 3.322 2.954 7.306 304 HB2 LEU 42 1HB LEU 42 2.685 4.744 5.027 305 HB3 LEU 42 2HB LEU 42 3.067 3.063 4.659 306 HG LEU 42 HG LEU 42 0.880 3.941 6.542 307 HD11 LEU 42 1HD1 LEU 42 -0.151 4.556 4.645 308 HD12 LEU 42 2HD1 LEU 42 -0.376 2.822 4.423 309 HD13 LEU 42 3HD1 LEU 42 0.960 3.646 3.620 310 HD21 LEU 42 1HD2 LEU 42 0.857 1.285 5.278 311 HD22 LEU 42 2HD2 LEU 42 0.446 1.766 6.924 312 HD23 LEU 42 3HD2 LEU 42 2.135 1.547 6.465 313 H GLU 43 H GLU 43 5.239 5.074 5.175 314 HA GLU 43 HA GLU 43 6.957 3.209 4.107 315 HB2 GLU 43 1HB GLU 43 7.233 6.111 4.760 316 HB3 GLU 43 2HB GLU 43 8.657 5.223 4.239 317 HG2 GLU 43 1HG GLU 43 7.585 4.625 2.168 318 HG3 GLU 43 2HG GLU 43 6.080 5.376 2.695 319 H LEU 44 H LEU 44 7.083 4.748 7.267 320 HA LEU 44 HA LEU 44 9.638 3.613 7.946 321 HB2 LEU 44 1HB LEU 44 7.556 5.177 9.421 322 HB3 LEU 44 2HB LEU 44 8.871 4.397 10.297 323 HG LEU 44 HG LEU 44 9.288 6.403 8.086 324 HD11 LEU 44 1HD1 LEU 44 9.409 8.115 9.618 325 HD12 LEU 44 2HD1 LEU 44 9.679 7.026 10.978 326 HD13 LEU 44 3HD1 LEU 44 8.072 7.164 10.263 327 HD21 LEU 44 1HD2 LEU 44 11.074 5.012 10.052 328 HD22 LEU 44 2HD2 LEU 44 11.531 6.554 9.328 329 HD23 LEU 44 3HD2 LEU 44 11.242 5.148 8.301 330 H LYS 45 H LYS 45 6.383 3.185 9.349 331 HA LYS 45 HA LYS 45 6.883 1.013 10.949 332 HB2 LYS 45 1HB LYS 45 4.728 2.311 10.756 333 HB3 LYS 45 2HB LYS 45 4.357 1.352 9.329 334 HG2 LYS 45 1HG LYS 45 4.405 -0.681 10.671 335 HG3 LYS 45 2HG LYS 45 4.803 0.269 12.105 336 HD2 LYS 45 1HD LYS 45 2.515 0.015 12.320 337 HD3 LYS 45 2HD LYS 45 2.631 1.578 11.507 338 HE2 LYS 45 1HE LYS 45 2.500 0.093 9.342 339 HE3 LYS 45 2HE LYS 45 1.750 -1.064 10.441 340 HZ1 LYS 45 1HZ LYS 45 -0.133 0.073 10.375 341 HZ2 LYS 45 2HZ LYS 45 0.535 1.070 9.183 342 HZ3 LYS 45 3HZ LYS 45 0.640 1.514 10.811 343 H THR 46 H THR 46 6.505 1.103 7.481 344 HA THR 46 HA THR 46 6.679 -1.828 7.359 345 HB THR 46 HB THR 46 5.814 -1.754 5.168 346 HG1 THR 46 HG1 THR 46 6.437 1.022 5.247 347 HG21 THR 46 1HG2 THR 46 4.003 -1.405 6.622 348 HG22 THR 46 2HG2 THR 46 3.809 -0.167 5.380 349 HG23 THR 46 3HG2 THR 46 4.478 0.260 6.954 350 H ALA 47 H ALA 47 8.514 1.003 6.958 351 HA ALA 47 HA ALA 47 10.605 1.438 6.168 352 HB1 ALA 47 1HB ALA 47 11.940 -0.957 6.072 353 HB2 ALA 47 2HB ALA 47 11.784 0.078 7.492 354 HB3 ALA 47 3HB ALA 47 10.670 -1.267 7.256 355 H THR 48 H THR 48 8.560 0.892 4.212 356 HA THR 48 HA THR 48 10.139 -0.345 2.056 357 HB THR 48 HB THR 48 7.996 -0.596 0.840 358 HG1 THR 48 HG1 THR 48 6.108 0.003 1.765 359 HG21 THR 48 1HG2 THR 48 8.868 -2.438 2.216 360 HG22 THR 48 2HG2 THR 48 7.105 -2.422 2.191 361 HG23 THR 48 3HG2 THR 48 7.972 -1.818 3.602 362 H LYS 49 H LYS 49 9.503 0.599 -0.171 363 HA LYS 49 HA LYS 49 9.644 3.532 0.045 364 HB2 LYS 49 1HB LYS 49 11.507 2.006 -1.061 365 HB3 LYS 49 2HB LYS 49 10.429 2.089 -2.448 366 HG2 LYS 49 1HG LYS 49 11.492 4.505 -1.004 367 HG3 LYS 49 2HG LYS 49 12.246 3.792 -2.432 368 HD2 LYS 49 1HD LYS 49 9.370 4.675 -2.389 369 HD3 LYS 49 2HD LYS 49 10.691 5.760 -2.831 370 HE2 LYS 49 1HE LYS 49 10.466 3.104 -4.171 371 HE3 LYS 49 2HE LYS 49 9.395 4.412 -4.667 372 HZ1 LYS 49 1HZ LYS 49 11.035 5.373 -5.782 373 HZ2 LYS 49 2HZ LYS 49 11.968 3.988 -5.519 374 HZ3 LYS 49 3HZ LYS 49 12.089 5.302 -4.460 375 H ILE 50 H ILE 50 7.331 3.689 0.148 376 HA ILE 50 HA ILE 50 5.669 2.703 -1.946 377 HB ILE 50 HB ILE 50 5.114 4.899 0.053 378 HG12 ILE 50 1HG1 ILE 50 4.213 2.020 0.158 379 HG13 ILE 50 2HG1 ILE 50 5.679 2.584 0.950 380 HG21 ILE 50 1HG2 ILE 50 3.386 5.263 -1.346 381 HG22 ILE 50 2HG2 ILE 50 3.525 3.676 -2.101 382 HG23 ILE 50 3HG2 ILE 50 2.706 3.843 -0.549 383 HD11 ILE 50 1HD1 ILE 50 4.494 3.207 2.703 384 HD12 ILE 50 2HD1 ILE 50 3.551 4.304 1.695 385 HD13 ILE 50 3HD1 ILE 50 3.026 2.635 1.910 386 H GLN 51 H GLN 51 5.307 3.523 -3.897 387 HA GLN 51 HA GLN 51 5.991 6.346 -4.384 388 HB2 GLN 51 1HB GLN 51 7.498 4.415 -5.374 389 HB3 GLN 51 2HB GLN 51 6.219 4.330 -6.576 390 HG2 GLN 51 1HG GLN 51 7.975 5.745 -7.383 391 HG3 GLN 51 2HG GLN 51 6.546 6.724 -7.054 392 HE21 GLN 51 1HE2 GLN 51 6.756 8.440 -5.783 393 HE22 GLN 51 2HE2 GLN 51 8.145 8.817 -4.829 394 H ILE 52 H ILE 52 4.220 7.462 -4.830 395 HA ILE 52 HA ILE 52 1.957 6.100 -6.112 396 HB ILE 52 HB ILE 52 2.000 8.767 -4.695 397 HG12 ILE 52 1HG1 ILE 52 0.689 6.258 -3.681 398 HG13 ILE 52 2HG1 ILE 52 2.385 6.584 -3.346 399 HG21 ILE 52 1HG2 ILE 52 -0.472 7.206 -5.275 400 HG22 ILE 52 2HG2 ILE 52 -0.262 8.942 -5.053 401 HG23 ILE 52 3HG2 ILE 52 0.255 8.177 -6.555 402 HD11 ILE 52 1HD1 ILE 52 1.280 7.390 -1.476 403 HD12 ILE 52 2HD1 ILE 52 1.556 8.838 -2.444 404 HD13 ILE 52 3HD1 ILE 52 -0.034 8.079 -2.429 405 HA PRO 53 HA PRO 53 2.811 8.224 -9.894 406 HB2 PRO 53 1HB PRO 53 0.426 7.766 -11.106 407 HB3 PRO 53 2HB PRO 53 1.664 6.519 -10.921 408 HG2 PRO 53 1HG PRO 53 -0.792 7.006 -9.281 409 HG3 PRO 53 2HG PRO 53 -0.125 5.472 -9.867 410 HD2 PRO 53 1HD PRO 53 0.231 6.339 -7.327 411 HD3 PRO 53 2HD PRO 53 1.444 5.365 -8.183 412 H ARG 54 H ARG 54 2.437 10.210 -10.798 413 HA ARG 54 HA ARG 54 1.338 12.252 -9.305 414 HB2 ARG 54 1HB ARG 54 2.009 11.964 -12.207 415 HB3 ARG 54 2HB ARG 54 1.167 13.407 -11.660 416 HG2 ARG 54 1HG ARG 54 2.954 14.113 -10.357 417 HG3 ARG 54 2HG ARG 54 3.678 12.503 -10.311 418 HD2 ARG 54 1HD ARG 54 4.242 12.670 -12.672 419 HD3 ARG 54 2HD ARG 54 3.463 14.251 -12.761 420 HE ARG 54 HE ARG 54 6.083 13.675 -11.766 421 HH11 ARG 54 1HH1 ARG 54 3.372 15.844 -11.508 422 HH12 ARG 54 2HH1 ARG 54 4.324 17.174 -10.935 423 HH21 ARG 54 1HH2 ARG 54 7.347 15.419 -11.014 424 HH22 ARG 54 2HH2 ARG 54 6.585 16.931 -10.656 425 HA PRO 55 HA PRO 55 -3.018 12.166 -9.816 426 HB2 PRO 55 1HB PRO 55 -3.619 14.809 -9.962 427 HB3 PRO 55 2HB PRO 55 -3.108 14.022 -8.465 428 HG2 PRO 55 1HG PRO 55 -1.502 15.662 -10.387 429 HG3 PRO 55 2HG PRO 55 -1.497 15.693 -8.614 430 HD2 PRO 55 1HD PRO 55 0.404 14.409 -10.052 431 HD3 PRO 55 2HD PRO 55 -0.135 13.842 -8.458 432 H ASP 56 H ASP 56 -1.016 13.511 -12.247 433 HA ASP 56 HA ASP 56 -3.258 13.763 -14.123 434 HB2 ASP 56 1HB ASP 56 -2.038 15.682 -14.432 435 HB3 ASP 56 2HB ASP 56 -0.517 14.914 -13.986 436 H ASP 57 H ASP 57 -0.528 11.805 -13.341 437 HA ASP 57 HA ASP 57 -0.113 10.566 -15.841 438 HB2 ASP 57 1HB ASP 57 1.263 10.506 -13.574 439 HB3 ASP 57 2HB ASP 57 0.323 9.038 -13.314 440 HA PRO 58 HA PRO 58 -3.663 7.987 -16.206 441 HB2 PRO 58 1HB PRO 58 -2.663 6.150 -17.937 442 HB3 PRO 58 2HB PRO 58 -3.101 7.791 -18.426 443 HG2 PRO 58 1HG PRO 58 -0.405 6.663 -17.778 444 HG3 PRO 58 2HG PRO 58 -0.875 7.748 -19.099 445 HD2 PRO 58 1HD PRO 58 0.333 8.638 -16.845 446 HD3 PRO 58 2HD PRO 58 -0.844 9.614 -17.748 447 H SER 59 H SER 59 -0.878 7.137 -14.596 448 HA SER 59 HA SER 59 -1.693 4.372 -14.103 449 HB2 SER 59 1HB SER 59 0.802 5.940 -13.472 450 HB3 SER 59 2HB SER 59 0.486 4.370 -12.732 451 HG SER 59 HG SER 59 1.342 3.617 -14.495 452 H ASN 60 H ASN 60 -2.855 3.833 -12.384 453 HA ASN 60 HA ASN 60 -2.887 5.670 -10.080 454 HB2 ASN 60 1HB ASN 60 -5.238 4.858 -9.695 455 HB3 ASN 60 2HB ASN 60 -5.024 5.823 -11.152 456 HD21 ASN 60 1HD2 ASN 60 -6.261 3.002 -9.893 457 HD22 ASN 60 2HD2 ASN 60 -6.523 2.142 -11.369 458 H GLN 61 H GLN 61 -1.251 3.239 -10.669 459 HA GLN 61 HA GLN 61 -2.161 1.513 -8.466 460 HB2 GLN 61 1HB GLN 61 -0.149 0.845 -10.618 461 HB3 GLN 61 2HB GLN 61 -0.840 -0.261 -9.438 462 HG2 GLN 61 1HG GLN 61 -3.102 0.438 -10.526 463 HG3 GLN 61 2HG GLN 61 -2.078 0.926 -11.875 464 HE21 GLN 61 1HE2 GLN 61 -1.953 -1.806 -9.617 465 HE22 GLN 61 2HE2 GLN 61 -1.954 -3.033 -10.833 466 H ILE 62 H ILE 62 -1.063 1.551 -6.624 467 HA ILE 62 HA ILE 62 1.300 3.163 -6.367 468 HB ILE 62 HB ILE 62 -0.300 1.525 -4.419 469 HG12 ILE 62 1HG1 ILE 62 0.331 4.482 -4.525 470 HG13 ILE 62 2HG1 ILE 62 -1.136 3.754 -5.173 471 HG21 ILE 62 1HG2 ILE 62 1.899 1.214 -3.626 472 HG22 ILE 62 2HG2 ILE 62 2.345 2.883 -3.981 473 HG23 ILE 62 3HG2 ILE 62 1.227 2.530 -2.664 474 HD11 ILE 62 1HD1 ILE 62 -1.259 2.807 -2.684 475 HD12 ILE 62 2HD1 ILE 62 -0.355 4.291 -2.381 476 HD13 ILE 62 3HD1 ILE 62 -1.936 4.365 -3.159 477 H LYS 63 H LYS 63 3.362 2.489 -5.731 478 HA LYS 63 HA LYS 63 3.941 -0.344 -6.296 479 HB2 LYS 63 1HB LYS 63 4.911 1.334 -7.879 480 HB3 LYS 63 2HB LYS 63 5.829 2.004 -6.536 481 HG2 LYS 63 1HG LYS 63 6.955 -0.158 -6.245 482 HG3 LYS 63 2HG LYS 63 6.060 -0.794 -7.628 483 HD2 LYS 63 1HD LYS 63 7.081 1.339 -8.812 484 HD3 LYS 63 2HD LYS 63 8.295 1.171 -7.542 485 HE2 LYS 63 1HE LYS 63 8.762 -1.094 -8.237 486 HE3 LYS 63 2HE LYS 63 7.464 -1.033 -9.427 487 HZ1 LYS 63 1HZ LYS 63 10.149 0.026 -9.570 488 HZ2 LYS 63 2HZ LYS 63 8.952 1.083 -10.128 489 HZ3 LYS 63 3HZ LYS 63 9.106 -0.456 -10.813 490 H ILE 64 H ILE 64 4.962 -1.547 -4.799 491 HA ILE 64 HA ILE 64 6.061 -0.176 -2.437 492 HB ILE 64 HB ILE 64 5.257 -2.470 -1.312 493 HG12 ILE 64 1HG1 ILE 64 3.089 -1.853 -3.330 494 HG13 ILE 64 2HG1 ILE 64 4.203 -3.212 -3.457 495 HG21 ILE 64 1HG2 ILE 64 3.162 -0.378 -1.565 496 HG22 ILE 64 2HG2 ILE 64 3.781 -1.191 -0.129 497 HG23 ILE 64 3HG2 ILE 64 4.730 0.080 -0.900 498 HD11 ILE 64 1HD1 ILE 64 2.879 -4.435 -2.185 499 HD12 ILE 64 2HD1 ILE 64 2.994 -3.252 -0.881 500 HD13 ILE 64 3HD1 ILE 64 1.737 -3.093 -2.108 501 H THR 65 H THR 65 8.140 -0.621 -2.196 502 HA THR 65 HA THR 65 9.114 -3.293 -2.961 503 HB THR 65 HB THR 65 10.653 -0.719 -3.339 504 HG1 THR 65 HG1 THR 65 9.849 -0.663 -5.301 505 HG21 THR 65 1HG2 THR 65 11.732 -3.126 -2.942 506 HG22 THR 65 2HG2 THR 65 12.419 -1.961 -4.073 507 HG23 THR 65 3HG2 THR 65 11.394 -3.267 -4.666 508 H GLY 66 H GLY 66 10.650 -4.224 -1.638 509 HA2 GLY 66 1HA GLY 66 12.335 -3.191 0.195 510 HA3 GLY 66 2HA GLY 66 10.795 -3.136 1.041 511 H THR 67 H THR 67 10.994 -4.686 2.547 512 HA THR 67 HA THR 67 12.187 -7.247 1.891 513 HB THR 67 HB THR 67 11.696 -7.797 4.291 514 HG1 THR 67 HG1 THR 67 10.787 -6.278 5.580 515 HG21 THR 67 1HG2 THR 67 13.182 -5.624 5.028 516 HG22 THR 67 2HG2 THR 67 13.484 -5.700 3.292 517 HG23 THR 67 3HG2 THR 67 13.833 -7.097 4.310 518 H LYS 68 H LYS 68 11.007 -9.244 2.759 519 HA LYS 68 HA LYS 68 8.564 -9.512 1.336 520 HB2 LYS 68 1HB LYS 68 10.281 -11.268 3.005 521 HB3 LYS 68 2HB LYS 68 8.600 -11.750 2.818 522 HG2 LYS 68 1HG LYS 68 10.402 -11.128 0.493 523 HG3 LYS 68 2HG LYS 68 10.208 -12.747 1.171 524 HD2 LYS 68 1HD LYS 68 7.945 -12.853 0.549 525 HD3 LYS 68 2HD LYS 68 7.849 -11.111 0.280 526 HE2 LYS 68 1HE LYS 68 7.973 -11.881 -1.880 527 HE3 LYS 68 2HE LYS 68 9.676 -11.594 -1.530 528 HZ1 LYS 68 1HZ LYS 68 9.927 -13.686 -2.233 529 HZ2 LYS 68 2HZ LYS 68 8.294 -14.075 -2.029 530 HZ3 LYS 68 3HZ LYS 68 9.349 -14.131 -0.707 531 H GLU 69 H GLU 69 9.359 -8.719 4.610 532 HA GLU 69 HA GLU 69 6.627 -9.189 5.525 533 HB2 GLU 69 1HB GLU 69 9.157 -8.371 6.948 534 HB3 GLU 69 2HB GLU 69 7.587 -8.388 7.739 535 HG2 GLU 69 1HG GLU 69 7.375 -10.749 7.401 536 HG3 GLU 69 2HG GLU 69 8.840 -10.785 6.424 537 H GLY 70 H GLY 70 8.865 -6.559 4.856 538 HA2 GLY 70 1HA GLY 70 7.314 -4.465 5.952 539 HA3 GLY 70 2HA GLY 70 8.565 -4.286 4.731 540 H ILE 71 H ILE 71 7.645 -5.548 2.571 541 HA ILE 71 HA ILE 71 5.806 -3.767 1.464 542 HB ILE 71 HB ILE 71 6.436 -6.568 0.524 543 HG12 ILE 71 1HG1 ILE 71 7.656 -3.952 -0.376 544 HG13 ILE 71 2HG1 ILE 71 8.399 -5.010 0.819 545 HG21 ILE 71 1HG2 ILE 71 5.891 -5.252 -1.723 546 HG22 ILE 71 2HG2 ILE 71 4.646 -6.075 -0.785 547 HG23 ILE 71 3HG2 ILE 71 4.865 -4.333 -0.622 548 HD11 ILE 71 1HD1 ILE 71 8.911 -5.086 -1.830 549 HD12 ILE 71 2HD1 ILE 71 9.125 -6.451 -0.733 550 HD13 ILE 71 3HD1 ILE 71 7.655 -6.317 -1.697 551 H GLU 72 H GLU 72 5.312 -7.081 2.654 552 HA GLU 72 HA GLU 72 2.642 -7.397 2.010 553 HB2 GLU 72 1HB GLU 72 4.359 -8.473 4.217 554 HB3 GLU 72 2HB GLU 72 2.635 -8.820 4.210 555 HG2 GLU 72 1HG GLU 72 4.602 -9.499 2.036 556 HG3 GLU 72 2HG GLU 72 3.865 -10.621 3.177 557 H LYS 73 H LYS 73 4.054 -5.930 4.916 558 HA LYS 73 HA LYS 73 1.683 -5.428 6.300 559 HB2 LYS 73 1HB LYS 73 4.372 -4.083 6.298 560 HB3 LYS 73 2HB LYS 73 3.061 -3.485 7.305 561 HG2 LYS 73 1HG LYS 73 3.075 -5.343 8.664 562 HG3 LYS 73 2HG LYS 73 3.813 -6.368 7.431 563 HD2 LYS 73 1HD LYS 73 5.575 -6.040 8.887 564 HD3 LYS 73 2HD LYS 73 5.845 -4.757 7.705 565 HE2 LYS 73 1HE LYS 73 5.217 -3.100 9.158 566 HE3 LYS 73 2HE LYS 73 4.153 -4.161 10.078 567 HZ1 LYS 73 1HZ LYS 73 6.003 -3.690 11.441 568 HZ2 LYS 73 2HZ LYS 73 7.110 -4.017 10.204 569 HZ3 LYS 73 3HZ LYS 73 6.221 -5.278 10.898 570 H ALA 74 H ALA 74 3.506 -3.257 4.141 571 HA ALA 74 HA ALA 74 1.657 -1.135 4.230 572 HB1 ALA 74 1HB ALA 74 2.899 -0.947 1.759 573 HB2 ALA 74 2HB ALA 74 3.441 -0.215 3.269 574 HB3 ALA 74 3HB ALA 74 4.073 -1.785 2.775 575 H ARG 75 H ARG 75 1.884 -3.994 2.201 576 HA ARG 75 HA ARG 75 -0.056 -3.182 0.290 577 HB2 ARG 75 1HB ARG 75 1.748 -5.116 0.252 578 HB3 ARG 75 2HB ARG 75 0.415 -6.067 0.895 579 HG2 ARG 75 1HG ARG 75 -0.903 -5.695 -1.031 580 HG3 ARG 75 2HG ARG 75 0.188 -4.439 -1.620 581 HD2 ARG 75 1HD ARG 75 0.762 -6.274 -2.918 582 HD3 ARG 75 2HD ARG 75 1.964 -6.312 -1.630 583 HE ARG 75 HE ARG 75 1.087 -8.302 -0.922 584 HH11 ARG 75 1HH1 ARG 75 -1.195 -6.742 -3.039 585 HH12 ARG 75 2HH1 ARG 75 -2.266 -8.103 -3.101 586 HH21 ARG 75 1HH2 ARG 75 -0.315 -10.101 -0.997 587 HH22 ARG 75 2HH2 ARG 75 -1.764 -10.012 -1.939 588 H HIS 76 H HIS 76 -0.199 -4.907 3.347 589 HA HIS 76 HA HIS 76 -2.932 -5.700 3.083 590 HB2 HIS 76 1HB HIS 76 -1.167 -6.773 4.580 591 HB3 HIS 76 2HB HIS 76 -1.411 -5.413 5.673 592 HD1 HIS 76 HD1 HIS 76 -3.601 -8.029 3.974 593 HD2 HIS 76 HD2 HIS 76 -3.271 -5.944 7.553 594 HE1 HIS 76 HE1 HIS 76 -5.437 -8.922 5.445 595 H GLU 77 H GLU 77 -1.258 -2.925 4.419 596 HA GLU 77 HA GLU 77 -3.582 -1.849 5.718 597 HB2 GLU 77 1HB GLU 77 -0.889 -0.647 5.064 598 HB3 GLU 77 2HB GLU 77 -2.144 0.199 5.957 599 HG2 GLU 77 1HG GLU 77 -0.887 -2.399 6.810 600 HG3 GLU 77 2HG GLU 77 -0.416 -0.805 7.400 601 H VAL 78 H VAL 78 -1.805 -1.165 2.727 602 HA VAL 78 HA VAL 78 -3.394 1.022 1.908 603 HB VAL 78 HB VAL 78 -1.124 0.421 0.994 604 HG11 VAL 78 1HG1 VAL 78 -2.635 -1.456 -0.808 605 HG12 VAL 78 2HG1 VAL 78 -0.889 -1.219 -0.694 606 HG13 VAL 78 3HG1 VAL 78 -1.762 -2.000 0.625 607 HG21 VAL 78 1HG2 VAL 78 -3.465 1.105 -0.740 608 HG22 VAL 78 2HG2 VAL 78 -2.174 2.149 -0.144 609 HG23 VAL 78 3HG2 VAL 78 -1.845 0.987 -1.429 610 H LEU 79 H LEU 79 -3.748 -2.437 1.569 611 HA LEU 79 HA LEU 79 -5.860 -2.262 -0.380 612 HB2 LEU 79 1HB LEU 79 -4.515 -4.440 1.134 613 HB3 LEU 79 2HB LEU 79 -6.108 -4.758 0.448 614 HG LEU 79 HG LEU 79 -3.827 -3.739 -1.226 615 HD11 LEU 79 1HD1 LEU 79 -4.574 -6.635 -0.984 616 HD12 LEU 79 2HD1 LEU 79 -3.312 -5.912 0.013 617 HD13 LEU 79 3HD1 LEU 79 -3.152 -5.917 -1.744 618 HD21 LEU 79 1HD2 LEU 79 -5.289 -3.843 -2.893 619 HD22 LEU 79 2HD2 LEU 79 -6.551 -4.159 -1.702 620 HD23 LEU 79 3HD2 LEU 79 -5.719 -5.505 -2.481 621 H LEU 80 H LEU 80 -5.611 -2.809 3.101 622 HA LEU 80 HA LEU 80 -8.303 -3.413 3.598 623 HB2 LEU 80 1HB LEU 80 -6.033 -2.386 5.220 624 HB3 LEU 80 2HB LEU 80 -7.654 -2.288 5.902 625 HG LEU 80 HG LEU 80 -6.377 -4.845 4.940 626 HD11 LEU 80 1HD1 LEU 80 -5.447 -5.186 6.950 627 HD12 LEU 80 2HD1 LEU 80 -6.795 -4.445 7.814 628 HD13 LEU 80 3HD1 LEU 80 -5.539 -3.431 7.103 629 HD21 LEU 80 1HD2 LEU 80 -8.993 -4.372 5.228 630 HD22 LEU 80 2HD2 LEU 80 -8.593 -4.775 6.897 631 HD23 LEU 80 3HD2 LEU 80 -8.251 -5.927 5.606 632 H ILE 81 H ILE 81 -6.595 -0.320 3.473 633 HA ILE 81 HA ILE 81 -8.778 1.277 4.311 634 HB ILE 81 HB ILE 81 -6.357 2.004 2.659 635 HG12 ILE 81 1HG1 ILE 81 -6.801 2.818 5.501 636 HG13 ILE 81 2HG1 ILE 81 -6.267 1.175 5.166 637 HG21 ILE 81 1HG2 ILE 81 -8.732 3.488 3.132 638 HG22 ILE 81 2HG2 ILE 81 -7.422 4.234 4.048 639 HG23 ILE 81 3HG2 ILE 81 -7.259 3.999 2.308 640 HD11 ILE 81 1HD1 ILE 81 -4.729 3.546 5.308 641 HD12 ILE 81 2HD1 ILE 81 -4.188 1.894 5.001 642 HD13 ILE 81 3HD1 ILE 81 -4.649 2.937 3.654 643 H SER 82 H SER 82 -7.461 0.602 1.069 644 HA SER 82 HA SER 82 -9.324 2.067 -0.398 645 HB2 SER 82 1HB SER 82 -8.708 0.577 -2.298 646 HB3 SER 82 2HB SER 82 -7.305 1.203 -1.433 647 HG SER 82 HG SER 82 -6.970 -0.963 -1.710 648 H ALA 83 H ALA 83 -9.410 -1.326 0.633 649 HA ALA 83 HA ALA 83 -11.738 -2.127 -0.645 650 HB1 ALA 83 1HB ALA 83 -11.126 -3.072 2.125 651 HB2 ALA 83 2HB ALA 83 -11.732 -3.981 0.740 652 HB3 ALA 83 3HB ALA 83 -10.045 -3.470 0.789 653 H GLU 84 H GLU 84 -11.402 -0.776 2.637 654 HA GLU 84 HA GLU 84 -14.022 -0.792 3.440 655 HB2 GLU 84 1HB GLU 84 -11.708 0.993 4.008 656 HB3 GLU 84 2HB GLU 84 -13.297 1.528 4.536 657 HG2 GLU 84 1HG GLU 84 -12.308 -1.212 5.206 658 HG3 GLU 84 2HG GLU 84 -11.820 0.187 6.161 659 H GLN 85 H GLN 85 -12.407 1.693 1.486 660 HA GLN 85 HA GLN 85 -14.519 3.486 1.262 661 HB2 GLN 85 1HB GLN 85 -12.479 2.854 -0.876 662 HB3 GLN 85 2HB GLN 85 -13.404 4.341 -0.717 663 HG2 GLN 85 1HG GLN 85 -11.374 3.334 1.263 664 HG3 GLN 85 2HG GLN 85 -11.091 4.582 0.051 665 HE21 GLN 85 1HE2 GLN 85 -10.868 4.782 2.922 666 HE22 GLN 85 2HE2 GLN 85 -11.971 6.014 3.420 667 H ASP 86 H ASP 86 -13.641 0.831 -0.945 668 HA ASP 86 HA ASP 86 -15.520 1.047 -2.881 669 HB2 ASP 86 1HB ASP 86 -14.068 -0.753 -3.146 670 HB3 ASP 86 2HB ASP 86 -14.360 -1.357 -1.517 671 H LYS 87 H LYS 87 -16.031 -0.436 0.304 672 HA LYS 87 HA LYS 87 -18.746 -1.111 -0.136 673 HB2 LYS 87 1HB LYS 87 -17.294 -2.116 1.626 674 HB3 LYS 87 2HB LYS 87 -17.363 -0.593 2.502 675 HG2 LYS 87 1HG LYS 87 -19.702 -0.827 2.880 676 HG3 LYS 87 2HG LYS 87 -19.795 -2.212 1.791 677 HD2 LYS 87 1HD LYS 87 -18.471 -3.548 3.292 678 HD3 LYS 87 2HD LYS 87 -18.172 -2.154 4.334 679 HE2 LYS 87 1HE LYS 87 -20.488 -2.048 4.953 680 HE3 LYS 87 2HE LYS 87 -20.908 -3.287 3.773 681 HZ1 LYS 87 1HZ LYS 87 -18.893 -4.102 5.665 682 HZ2 LYS 87 2HZ LYS 87 -20.284 -4.914 5.149 683 HZ3 LYS 87 3HZ LYS 87 -20.390 -3.752 6.373 684 H ARG 88 H ARG 88 -17.177 1.673 1.397 685 HA ARG 88 HA ARG 88 -19.533 2.962 2.242 686 HB2 ARG 88 1HB ARG 88 -16.804 4.067 1.565 687 HB3 ARG 88 2HB ARG 88 -18.091 5.019 2.292 688 HG2 ARG 88 1HG ARG 88 -17.974 3.882 4.306 689 HG3 ARG 88 2HG ARG 88 -17.171 2.486 3.583 690 HD2 ARG 88 1HD ARG 88 -15.470 3.556 4.763 691 HD3 ARG 88 2HD ARG 88 -15.236 4.100 3.103 692 HE ARG 88 HE ARG 88 -16.837 6.004 4.225 693 HH11 ARG 88 1HH1 ARG 88 -13.735 4.626 5.001 694 HH12 ARG 88 2HH1 ARG 88 -13.134 6.070 5.747 695 HH21 ARG 88 1HH2 ARG 88 -16.058 7.911 5.205 696 HH22 ARG 88 2HH2 ARG 88 -14.457 7.937 5.863 697 H SER 89 H SER 89 -20.990 4.182 1.207 698 HA SER 89 HA SER 89 -20.361 5.214 -1.463 699 HB2 SER 89 1HB SER 89 -22.549 3.294 -0.757 700 HB3 SER 89 2HB SER 89 -22.825 4.483 -2.031 701 HG SER 89 HG SER 89 -21.560 2.191 -2.235 702 H GLY 90 H GLY 90 -20.585 7.343 -1.226 703 HA2 GLY 90 1HA GLY 90 -22.578 8.953 -1.201 704 HA3 GLY 90 2HA GLY 90 -22.806 8.346 0.432 705 HA PRO 91 HA PRO 91 -18.745 11.032 0.242 706 HB2 PRO 91 1HB PRO 91 -18.776 12.912 -1.717 707 HB3 PRO 91 2HB PRO 91 -18.069 11.306 -1.937 708 HG2 PRO 91 1HG PRO 91 -20.755 12.326 -2.779 709 HG3 PRO 91 2HG PRO 91 -19.610 11.315 -3.679 710 HD2 PRO 91 1HD PRO 91 -21.776 10.293 -2.417 711 HD3 PRO 91 2HD PRO 91 -20.256 9.391 -2.587 712 H SER 92 H SER 92 -21.948 12.190 -0.561 713 HA SER 92 HA SER 92 -21.963 14.802 0.156 714 HB2 SER 92 1HB SER 92 -24.279 14.491 0.939 715 HB3 SER 92 2HB SER 92 -23.980 13.594 -0.549 716 HG SER 92 HG SER 92 -24.846 12.663 1.774 717 H SER 93 H SER 93 -22.116 12.064 2.414 718 HA SER 93 HA SER 93 -22.156 13.698 4.746 719 HB2 SER 93 1HB SER 93 -21.428 10.775 4.444 720 HB3 SER 93 2HB SER 93 -21.768 11.593 5.968 721 HG SER 93 HG SER 93 -23.876 11.891 5.320 722 H GLY 94 H GLY 94 -20.530 14.566 5.883 723 HA2 GLY 94 1HA GLY 94 -17.779 13.829 5.091 724 HA3 GLY 94 2HA GLY 94 -18.258 15.470 5.500 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -9.090 -16.192 17.049 2 HA2 GLY 1 1HA GLY 1 -9.724 -17.847 14.775 3 HA3 GLY 1 2HA GLY 1 -8.918 -16.346 14.342 4 H SER 2 H SER 2 -7.868 -18.927 13.870 5 HA SER 2 HA SER 2 -5.421 -18.740 15.473 6 HB2 SER 2 1HB SER 2 -7.212 -21.109 15.191 7 HB3 SER 2 2HB SER 2 -5.471 -21.390 15.218 8 HG SER 2 HG SER 2 -6.043 -21.427 17.315 9 H SER 3 H SER 3 -3.536 -19.284 14.402 10 HA SER 3 HA SER 3 -3.528 -20.495 11.814 11 HB2 SER 3 1HB SER 3 -2.879 -18.628 10.474 12 HB3 SER 3 2HB SER 3 -4.325 -18.131 11.351 13 HG SER 3 HG SER 3 -3.198 -16.677 12.376 14 H GLY 4 H GLY 4 -1.330 -20.612 10.894 15 HA2 GLY 4 1HA GLY 4 0.793 -20.089 12.864 16 HA3 GLY 4 2HA GLY 4 0.598 -21.712 12.219 17 H SER 5 H SER 5 2.892 -19.922 12.027 18 HA SER 5 HA SER 5 3.319 -20.169 9.176 19 HB2 SER 5 1HB SER 5 3.544 -17.465 10.522 20 HB3 SER 5 2HB SER 5 4.008 -17.830 8.860 21 HG SER 5 HG SER 5 1.808 -18.375 8.468 22 H SER 6 H SER 6 5.251 -21.058 8.957 23 HA SER 6 HA SER 6 7.346 -20.379 10.916 24 HB2 SER 6 1HB SER 6 6.524 -23.010 9.756 25 HB3 SER 6 2HB SER 6 8.220 -22.757 10.166 26 HG SER 6 HG SER 6 6.092 -23.192 11.797 27 H GLY 7 H GLY 7 9.514 -20.315 10.147 28 HA2 GLY 7 1HA GLY 7 10.895 -20.728 8.051 29 HA3 GLY 7 2HA GLY 7 9.668 -19.756 7.254 30 H ASP 8 H ASP 8 12.130 -19.679 9.794 31 HA ASP 8 HA ASP 8 12.319 -16.764 9.419 32 HB2 ASP 8 1HB ASP 8 11.757 -17.651 11.728 33 HB3 ASP 8 2HB ASP 8 13.382 -18.332 11.770 34 H ILE 9 H ILE 9 13.947 -16.176 8.158 35 HA ILE 9 HA ILE 9 15.993 -16.060 7.170 36 HB ILE 9 HB ILE 9 17.008 -17.618 9.546 37 HG12 ILE 9 1HG1 ILE 9 17.085 -14.631 9.393 38 HG13 ILE 9 2HG1 ILE 9 15.597 -15.419 9.908 39 HG21 ILE 9 1HG2 ILE 9 18.251 -16.348 7.253 40 HG22 ILE 9 2HG2 ILE 9 18.889 -15.745 8.782 41 HG23 ILE 9 3HG2 ILE 9 18.931 -17.472 8.429 42 HD11 ILE 9 1HD1 ILE 9 16.407 -15.682 11.944 43 HD12 ILE 9 2HD1 ILE 9 17.809 -16.550 11.316 44 HD13 ILE 9 3HD1 ILE 9 17.848 -14.791 11.454 45 H VAL 10 H VAL 10 14.319 -18.150 6.348 46 HA VAL 10 HA VAL 10 15.986 -20.521 6.086 47 HB VAL 10 HB VAL 10 13.251 -20.003 4.915 48 HG11 VAL 10 1HG1 VAL 10 15.144 -22.214 4.763 49 HG12 VAL 10 2HG1 VAL 10 13.538 -22.705 5.303 50 HG13 VAL 10 3HG1 VAL 10 13.733 -21.860 3.767 51 HG21 VAL 10 1HG2 VAL 10 14.132 -20.873 7.605 52 HG22 VAL 10 2HG2 VAL 10 12.696 -19.972 7.119 53 HG23 VAL 10 3HG2 VAL 10 12.757 -21.721 6.895 54 H ALA 11 H ALA 11 15.501 -17.625 4.444 55 HA ALA 11 HA ALA 11 16.972 -18.641 2.139 56 HB1 ALA 11 1HB ALA 11 14.855 -16.815 1.310 57 HB2 ALA 11 2HB ALA 11 15.385 -18.338 0.596 58 HB3 ALA 11 3HB ALA 11 14.252 -18.345 1.947 59 H ARG 12 H ARG 12 18.531 -17.272 1.534 60 HA ARG 12 HA ARG 12 18.404 -14.509 2.546 61 HB2 ARG 12 1HB ARG 12 20.189 -15.983 3.527 62 HB3 ARG 12 2HB ARG 12 20.897 -16.094 1.922 63 HG2 ARG 12 1HG ARG 12 21.617 -13.913 1.936 64 HG3 ARG 12 2HG ARG 12 20.399 -13.407 3.109 65 HD2 ARG 12 1HD ARG 12 22.462 -13.391 4.260 66 HD3 ARG 12 2HD ARG 12 21.614 -14.841 4.796 67 HE ARG 12 HE ARG 12 23.240 -15.535 2.635 68 HH11 ARG 12 1HH1 ARG 12 23.545 -14.440 5.925 69 HH12 ARG 12 2HH1 ARG 12 25.070 -15.221 6.181 70 HH21 ARG 12 1HH2 ARG 12 25.248 -16.569 2.960 71 HH22 ARG 12 2HH2 ARG 12 26.037 -16.432 4.494 72 H LEU 13 H LEU 13 17.811 -13.226 0.915 73 HA LEU 13 HA LEU 13 19.214 -13.533 -1.656 74 HB2 LEU 13 1HB LEU 13 16.351 -12.705 -1.204 75 HB3 LEU 13 2HB LEU 13 17.179 -12.666 -2.758 76 HG LEU 13 HG LEU 13 16.685 -15.175 -1.159 77 HD11 LEU 13 1HD1 LEU 13 14.659 -13.858 -2.124 78 HD12 LEU 13 2HD1 LEU 13 14.784 -15.596 -2.391 79 HD13 LEU 13 3HD1 LEU 13 15.236 -14.473 -3.673 80 HD21 LEU 13 1HD2 LEU 13 18.052 -16.152 -2.604 81 HD22 LEU 13 2HD2 LEU 13 18.372 -14.592 -3.364 82 HD23 LEU 13 3HD2 LEU 13 17.045 -15.600 -3.943 83 H GLN 14 H GLN 14 20.691 -11.940 -1.568 84 HA GLN 14 HA GLN 14 20.631 -9.567 -0.216 85 HB2 GLN 14 1HB GLN 14 22.477 -10.652 -1.718 86 HB3 GLN 14 2HB GLN 14 21.796 -9.631 -2.977 87 HG2 GLN 14 1HG GLN 14 23.546 -8.377 -2.109 88 HG3 GLN 14 2HG GLN 14 22.112 -7.701 -1.339 89 HE21 GLN 14 1HE2 GLN 14 22.553 -7.156 0.665 90 HE22 GLN 14 2HE2 GLN 14 23.492 -8.070 1.790 91 H THR 15 H THR 15 19.395 -10.174 -3.485 92 HA THR 15 HA THR 15 18.623 -7.554 -4.092 93 HB THR 15 HB THR 15 17.045 -8.580 -5.720 94 HG1 THR 15 HG1 THR 15 17.717 -10.870 -4.229 95 HG21 THR 15 1HG2 THR 15 19.631 -8.362 -5.992 96 HG22 THR 15 2HG2 THR 15 18.707 -9.301 -7.164 97 HG23 THR 15 3HG2 THR 15 19.604 -10.123 -5.887 98 H GLN 16 H GLN 16 16.182 -7.055 -4.530 99 HA GLN 16 HA GLN 16 14.595 -7.825 -2.177 100 HB2 GLN 16 1HB GLN 16 14.990 -5.045 -3.286 101 HB3 GLN 16 2HB GLN 16 13.735 -5.462 -2.127 102 HG2 GLN 16 1HG GLN 16 15.604 -6.302 -0.631 103 HG3 GLN 16 2HG GLN 16 16.708 -5.485 -1.737 104 HE21 GLN 16 1HE2 GLN 16 13.726 -4.857 0.081 105 HE22 GLN 16 2HE2 GLN 16 14.155 -3.254 0.562 106 H ALA 17 H ALA 17 12.258 -7.394 -2.443 107 HA ALA 17 HA ALA 17 11.455 -7.909 -5.223 108 HB1 ALA 17 1HB ALA 17 10.290 -9.584 -4.353 109 HB2 ALA 17 2HB ALA 17 10.702 -9.073 -2.715 110 HB3 ALA 17 3HB ALA 17 9.282 -8.402 -3.517 111 H SER 18 H SER 18 9.369 -7.011 -5.926 112 HA SER 18 HA SER 18 8.489 -4.606 -4.532 113 HB2 SER 18 1HB SER 18 8.571 -3.417 -6.850 114 HB3 SER 18 2HB SER 18 10.047 -3.525 -5.893 115 HG SER 18 HG SER 18 9.951 -4.209 -8.288 116 H ALA 19 H ALA 19 6.349 -4.311 -4.684 117 HA ALA 19 HA ALA 19 4.891 -5.725 -6.817 118 HB1 ALA 19 1HB ALA 19 4.803 -6.930 -4.611 119 HB2 ALA 19 2HB ALA 19 3.910 -5.548 -3.977 120 HB3 ALA 19 3HB ALA 19 3.238 -6.499 -5.301 121 H THR 20 H THR 20 2.520 -4.939 -6.851 122 HA THR 20 HA THR 20 2.323 -2.085 -6.209 123 HB THR 20 HB THR 20 1.133 -1.914 -8.551 124 HG1 THR 20 HG1 THR 20 1.387 -4.071 -9.171 125 HG21 THR 20 1HG2 THR 20 3.692 -1.681 -9.457 126 HG22 THR 20 2HG2 THR 20 3.928 -1.592 -7.711 127 HG23 THR 20 3HG2 THR 20 2.847 -0.454 -8.514 128 H VAL 21 H VAL 21 0.148 -1.268 -6.182 129 HA VAL 21 HA VAL 21 -1.923 -3.358 -6.032 130 HB VAL 21 HB VAL 21 -1.380 -2.830 -3.758 131 HG11 VAL 21 1HG1 VAL 21 -0.811 -0.804 -2.972 132 HG12 VAL 21 2HG1 VAL 21 -0.591 -0.395 -4.675 133 HG13 VAL 21 3HG1 VAL 21 -2.100 0.011 -3.856 134 HG21 VAL 21 1HG2 VAL 21 -3.713 -1.156 -3.687 135 HG22 VAL 21 2HG2 VAL 21 -3.917 -2.432 -4.886 136 HG23 VAL 21 3HG2 VAL 21 -3.536 -2.847 -3.215 137 H ALA 22 H ALA 22 -3.281 -2.961 -7.651 138 HA ALA 22 HA ALA 22 -3.627 -0.425 -8.866 139 HB1 ALA 22 1HB ALA 22 -5.845 -1.918 -9.577 140 HB2 ALA 22 2HB ALA 22 -4.309 -1.843 -10.442 141 HB3 ALA 22 3HB ALA 22 -4.599 -3.126 -9.267 142 H ILE 23 H ILE 23 -4.590 1.247 -7.923 143 HA ILE 23 HA ILE 23 -7.190 0.831 -6.642 144 HB ILE 23 HB ILE 23 -6.440 2.619 -4.927 145 HG12 ILE 23 1HG1 ILE 23 -3.769 1.475 -5.772 146 HG13 ILE 23 2HG1 ILE 23 -4.288 3.145 -5.959 147 HG21 ILE 23 1HG2 ILE 23 -6.825 0.795 -3.709 148 HG22 ILE 23 2HG2 ILE 23 -6.207 -0.267 -4.973 149 HG23 ILE 23 3HG2 ILE 23 -5.097 0.467 -3.816 150 HD11 ILE 23 1HD1 ILE 23 -3.627 3.650 -3.908 151 HD12 ILE 23 2HD1 ILE 23 -4.505 2.285 -3.217 152 HD13 ILE 23 3HD1 ILE 23 -2.872 2.059 -3.841 153 HA PRO 24 HA PRO 24 -8.425 4.438 -8.819 154 HB2 PRO 24 1HB PRO 24 -10.231 5.518 -7.103 155 HB3 PRO 24 2HB PRO 24 -10.549 4.049 -8.034 156 HG2 PRO 24 1HG PRO 24 -9.688 4.336 -5.180 157 HG3 PRO 24 2HG PRO 24 -10.903 3.249 -5.878 158 HD2 PRO 24 1HD PRO 24 -8.402 2.425 -5.248 159 HD3 PRO 24 2HD PRO 24 -9.320 1.741 -6.606 160 H LYS 25 H LYS 25 -8.077 6.644 -8.988 161 HA LYS 25 HA LYS 25 -5.990 7.743 -7.438 162 HB2 LYS 25 1HB LYS 25 -7.923 9.086 -9.336 163 HB3 LYS 25 2HB LYS 25 -6.476 9.842 -8.682 164 HG2 LYS 25 1HG LYS 25 -6.449 7.329 -10.336 165 HG3 LYS 25 2HG LYS 25 -6.238 8.952 -10.996 166 HD2 LYS 25 1HD LYS 25 -4.496 7.712 -8.868 167 HD3 LYS 25 2HD LYS 25 -4.094 7.785 -10.585 168 HE2 LYS 25 1HE LYS 25 -2.999 9.650 -9.846 169 HE3 LYS 25 2HE LYS 25 -4.568 10.355 -10.232 170 HZ1 LYS 25 1HZ LYS 25 -4.498 9.347 -7.570 171 HZ2 LYS 25 2HZ LYS 25 -4.883 10.900 -8.118 172 HZ3 LYS 25 3HZ LYS 25 -3.270 10.483 -7.823 173 H GLU 26 H GLU 26 -9.190 7.341 -6.669 174 HA GLU 26 HA GLU 26 -9.430 9.787 -5.101 175 HB2 GLU 26 1HB GLU 26 -11.693 8.760 -4.507 176 HB3 GLU 26 2HB GLU 26 -11.449 9.246 -6.178 177 HG2 GLU 26 1HG GLU 26 -11.434 7.103 -6.950 178 HG3 GLU 26 2HG GLU 26 -10.820 6.444 -5.436 179 H HIS 27 H HIS 27 -8.404 6.566 -4.732 180 HA HIS 27 HA HIS 27 -8.807 6.618 -1.829 181 HB2 HIS 27 1HB HIS 27 -8.042 4.405 -3.734 182 HB3 HIS 27 2HB HIS 27 -7.987 4.220 -1.983 183 HD1 HIS 27 HD1 HIS 27 -9.817 2.351 -3.371 184 HD2 HIS 27 HD2 HIS 27 -11.033 6.150 -2.211 185 HE1 HIS 27 HE1 HIS 27 -12.324 2.236 -3.216 186 H HIS 28 H HIS 28 -6.457 7.236 -4.179 187 HA HIS 28 HA HIS 28 -4.095 6.394 -2.952 188 HB2 HIS 28 1HB HIS 28 -4.790 8.524 -4.925 189 HB3 HIS 28 2HB HIS 28 -3.184 8.545 -4.202 190 HD2 HIS 28 HD2 HIS 28 -4.969 5.225 -5.323 191 HE1 HIS 28 HE1 HIS 28 -1.523 5.836 -7.720 192 HE2 HIS 28 HE2 HIS 28 -3.459 4.307 -7.212 193 H ARG 29 H ARG 29 -5.722 9.557 -2.743 194 HA ARG 29 HA ARG 29 -4.005 10.876 -1.060 195 HB2 ARG 29 1HB ARG 29 -5.880 12.244 -0.376 196 HB3 ARG 29 2HB ARG 29 -6.029 11.868 -2.087 197 HG2 ARG 29 1HG ARG 29 -7.625 10.058 -1.486 198 HG3 ARG 29 2HG ARG 29 -7.553 10.618 0.185 199 HD2 ARG 29 1HD ARG 29 -9.381 11.783 -0.520 200 HD3 ARG 29 2HD ARG 29 -8.119 12.938 -0.948 201 HE ARG 29 HE ARG 29 -8.696 11.127 -3.078 202 HH11 ARG 29 1HH1 ARG 29 -9.776 14.028 -1.484 203 HH12 ARG 29 2HH1 ARG 29 -10.579 14.654 -2.885 204 HH21 ARG 29 1HH2 ARG 29 -9.751 11.941 -4.929 205 HH22 ARG 29 2HH2 ARG 29 -10.566 13.467 -4.844 206 H PHE 30 H PHE 30 -6.649 8.694 -0.129 207 HA PHE 30 HA PHE 30 -6.469 8.924 2.623 208 HB2 PHE 30 1HB PHE 30 -7.308 6.689 0.807 209 HB3 PHE 30 2HB PHE 30 -7.236 6.426 2.546 210 HD1 PHE 30 HD1 PHE 30 -8.578 7.985 4.041 211 HD2 PHE 30 HD2 PHE 30 -9.157 7.713 -0.168 212 HE1 PHE 30 HE1 PHE 30 -10.812 8.986 4.287 213 HE2 PHE 30 HE2 PHE 30 -11.391 8.715 0.072 214 HZ PHE 30 HZ PHE 30 -12.221 9.354 2.301 215 H VAL 31 H VAL 31 -4.342 7.333 0.401 216 HA VAL 31 HA VAL 31 -3.004 5.751 2.405 217 HB VAL 31 HB VAL 31 -2.125 6.377 -0.417 218 HG11 VAL 31 1HG1 VAL 31 -0.702 5.221 1.666 219 HG12 VAL 31 2HG1 VAL 31 -1.272 3.850 0.711 220 HG13 VAL 31 3HG1 VAL 31 -0.320 5.124 -0.053 221 HG21 VAL 31 1HG2 VAL 31 -3.630 3.982 0.632 222 HG22 VAL 31 2HG2 VAL 31 -4.325 5.281 -0.338 223 HG23 VAL 31 3HG2 VAL 31 -3.088 4.231 -1.028 224 H ILE 32 H ILE 32 -2.448 8.793 0.718 225 HA ILE 32 HA ILE 32 0.190 9.211 1.676 226 HB ILE 32 HB ILE 32 -1.851 11.205 0.687 227 HG12 ILE 32 1HG1 ILE 32 0.541 10.014 -0.728 228 HG13 ILE 32 2HG1 ILE 32 -1.108 9.428 -0.922 229 HG21 ILE 32 1HG2 ILE 32 0.039 12.730 0.389 230 HG22 ILE 32 2HG2 ILE 32 -0.179 12.292 2.083 231 HG23 ILE 32 3HG2 ILE 32 1.111 11.547 1.140 232 HD11 ILE 32 1HD1 ILE 32 0.131 11.956 -1.880 233 HD12 ILE 32 2HD1 ILE 32 -0.898 10.806 -2.734 234 HD13 ILE 32 3HD1 ILE 32 -1.601 11.911 -1.552 235 H GLY 33 H GLY 33 -2.998 10.292 2.799 236 HA2 GLY 33 1HA GLY 33 -3.243 10.302 5.274 237 HA3 GLY 33 2HA GLY 33 -1.703 11.146 5.316 238 H LYS 34 H LYS 34 -3.670 12.324 6.641 239 HA LYS 34 HA LYS 34 -5.398 14.014 5.234 240 HB2 LYS 34 1HB LYS 34 -4.218 14.029 7.978 241 HB3 LYS 34 2HB LYS 34 -5.057 15.470 7.416 242 HG2 LYS 34 1HG LYS 34 -7.096 14.456 7.418 243 HG3 LYS 34 2HG LYS 34 -6.425 12.856 7.098 244 HD2 LYS 34 1HD LYS 34 -7.111 12.671 9.302 245 HD3 LYS 34 2HD LYS 34 -5.406 13.093 9.477 246 HE2 LYS 34 1HE LYS 34 -6.246 15.526 9.571 247 HE3 LYS 34 2HE LYS 34 -7.828 14.813 9.882 248 HZ1 LYS 34 1HZ LYS 34 -5.423 14.802 11.563 249 HZ2 LYS 34 2HZ LYS 34 -6.507 13.508 11.687 250 HZ3 LYS 34 3HZ LYS 34 -7.035 15.086 11.993 251 H ASN 35 H ASN 35 -2.346 14.960 6.830 252 HA ASN 35 HA ASN 35 -2.092 17.117 4.842 253 HB2 ASN 35 1HB ASN 35 -0.552 17.101 7.411 254 HB3 ASN 35 2HB ASN 35 -1.091 18.469 6.442 255 HD21 ASN 35 1HD2 ASN 35 -3.710 18.110 6.148 256 HD22 ASN 35 2HD2 ASN 35 -4.515 18.093 7.677 257 H GLY 36 H GLY 36 -1.106 14.138 5.079 258 HA2 GLY 36 1HA GLY 36 0.621 13.205 3.766 259 HA3 GLY 36 2HA GLY 36 1.496 14.725 3.879 260 H GLU 37 H GLU 37 0.147 12.545 6.352 261 HA GLU 37 HA GLU 37 2.862 12.319 7.477 262 HB2 GLU 37 1HB GLU 37 0.413 12.156 9.198 263 HB3 GLU 37 2HB GLU 37 2.064 12.557 9.653 264 HG2 GLU 37 1HG GLU 37 0.555 14.373 7.834 265 HG3 GLU 37 2HG GLU 37 0.237 14.404 9.567 266 H LYS 38 H LYS 38 -0.090 10.751 6.585 267 HA LYS 38 HA LYS 38 0.226 8.310 7.943 268 HB2 LYS 38 1HB LYS 38 -1.884 8.892 6.915 269 HB3 LYS 38 2HB LYS 38 -1.140 8.943 5.323 270 HG2 LYS 38 1HG LYS 38 -2.366 6.910 5.509 271 HG3 LYS 38 2HG LYS 38 -0.646 6.515 5.543 272 HD2 LYS 38 1HD LYS 38 -0.772 6.423 8.021 273 HD3 LYS 38 2HD LYS 38 -2.514 6.680 7.907 274 HE2 LYS 38 1HE LYS 38 -1.028 4.385 6.634 275 HE3 LYS 38 2HE LYS 38 -1.875 4.297 8.177 276 HZ1 LYS 38 1HZ LYS 38 -3.138 4.967 5.574 277 HZ2 LYS 38 2HZ LYS 38 -3.936 4.808 7.057 278 HZ3 LYS 38 3HZ LYS 38 -3.218 3.458 6.334 279 H LEU 39 H LEU 39 0.781 8.875 4.463 280 HA LEU 39 HA LEU 39 2.055 6.577 3.793 281 HB2 LEU 39 1HB LEU 39 1.733 7.978 2.010 282 HB3 LEU 39 2HB LEU 39 2.346 9.389 2.870 283 HG LEU 39 HG LEU 39 4.651 8.305 2.647 284 HD11 LEU 39 1HD1 LEU 39 3.472 6.099 1.905 285 HD12 LEU 39 2HD1 LEU 39 5.002 6.577 1.170 286 HD13 LEU 39 3HD1 LEU 39 3.487 6.857 0.312 287 HD21 LEU 39 1HD2 LEU 39 3.315 9.122 0.075 288 HD22 LEU 39 2HD2 LEU 39 5.010 9.314 0.524 289 HD23 LEU 39 3HD2 LEU 39 3.767 10.260 1.345 290 H GLN 40 H GLN 40 3.618 9.452 5.184 291 HA GLN 40 HA GLN 40 6.240 8.591 5.189 292 HB2 GLN 40 1HB GLN 40 5.012 10.131 7.470 293 HB3 GLN 40 2HB GLN 40 6.666 10.212 6.878 294 HG2 GLN 40 1HG GLN 40 5.524 11.010 4.669 295 HG3 GLN 40 2HG GLN 40 4.187 11.408 5.745 296 HE21 GLN 40 1HE2 GLN 40 7.712 11.622 6.070 297 HE22 GLN 40 2HE2 GLN 40 7.745 13.303 6.468 298 H ASP 41 H ASP 41 3.910 8.249 7.869 299 HA ASP 41 HA ASP 41 5.505 6.737 9.563 300 HB2 ASP 41 1HB ASP 41 3.150 7.777 9.936 301 HB3 ASP 41 2HB ASP 41 2.553 6.228 9.347 302 H LEU 42 H LEU 42 3.246 5.626 7.056 303 HA LEU 42 HA LEU 42 3.510 2.885 7.457 304 HB2 LEU 42 1HB LEU 42 2.743 4.616 5.173 305 HB3 LEU 42 2HB LEU 42 3.119 2.930 4.824 306 HG LEU 42 HG LEU 42 1.039 3.812 6.822 307 HD11 LEU 42 1HD1 LEU 42 0.057 4.535 4.884 308 HD12 LEU 42 2HD1 LEU 42 -0.461 2.849 4.899 309 HD13 LEU 42 3HD1 LEU 42 0.892 3.346 3.885 310 HD21 LEU 42 1HD2 LEU 42 1.084 1.675 7.420 311 HD22 LEU 42 2HD2 LEU 42 2.243 1.287 6.148 312 HD23 LEU 42 3HD2 LEU 42 0.513 1.262 5.803 313 H GLU 43 H GLU 43 5.313 4.973 5.199 314 HA GLU 43 HA GLU 43 6.979 3.099 4.070 315 HB2 GLU 43 1HB GLU 43 7.255 6.009 4.662 316 HB3 GLU 43 2HB GLU 43 8.683 5.132 4.131 317 HG2 GLU 43 1HG GLU 43 7.514 4.429 2.112 318 HG3 GLU 43 2HG GLU 43 6.071 5.289 2.644 319 H LEU 44 H LEU 44 7.324 4.743 7.175 320 HA LEU 44 HA LEU 44 9.882 3.575 7.745 321 HB2 LEU 44 1HB LEU 44 7.891 5.137 9.360 322 HB3 LEU 44 2HB LEU 44 9.336 4.440 10.092 323 HG LEU 44 HG LEU 44 9.516 6.313 7.753 324 HD11 LEU 44 1HD1 LEU 44 8.390 7.016 10.191 325 HD12 LEU 44 2HD1 LEU 44 9.056 8.107 8.977 326 HD13 LEU 44 3HD1 LEU 44 10.068 7.546 10.307 327 HD21 LEU 44 1HD2 LEU 44 11.638 5.636 7.982 328 HD22 LEU 44 2HD2 LEU 44 11.356 4.974 9.593 329 HD23 LEU 44 3HD2 LEU 44 11.667 6.699 9.389 330 H LYS 45 H LYS 45 6.783 3.265 9.485 331 HA LYS 45 HA LYS 45 7.315 1.127 11.063 332 HB2 LYS 45 1HB LYS 45 5.157 2.394 10.960 333 HB3 LYS 45 2HB LYS 45 4.727 1.457 9.535 334 HG2 LYS 45 1HG LYS 45 4.937 -0.606 10.920 335 HG3 LYS 45 2HG LYS 45 5.157 0.430 12.331 336 HD2 LYS 45 1HD LYS 45 2.882 -0.028 12.380 337 HD3 LYS 45 2HD LYS 45 2.945 1.536 11.564 338 HE2 LYS 45 1HE LYS 45 1.433 0.153 10.348 339 HE3 LYS 45 2HE LYS 45 2.903 0.304 9.386 340 HZ1 LYS 45 1HZ LYS 45 3.416 -1.897 10.823 341 HZ2 LYS 45 2HZ LYS 45 2.747 -1.912 9.270 342 HZ3 LYS 45 3HZ LYS 45 1.742 -2.034 10.626 343 H THR 46 H THR 46 6.480 1.024 7.634 344 HA THR 46 HA THR 46 6.733 -1.885 7.608 345 HB THR 46 HB THR 46 5.868 -1.835 5.378 346 HG1 THR 46 HG1 THR 46 6.588 0.878 5.518 347 HG21 THR 46 1HG2 THR 46 3.753 -0.528 5.683 348 HG22 THR 46 2HG2 THR 46 4.446 0.143 7.160 349 HG23 THR 46 3HG2 THR 46 4.150 -1.591 7.031 350 H ALA 47 H ALA 47 8.605 0.893 7.012 351 HA ALA 47 HA ALA 47 10.676 1.246 6.132 352 HB1 ALA 47 1HB ALA 47 12.223 -0.774 6.241 353 HB2 ALA 47 2HB ALA 47 11.493 -0.240 7.755 354 HB3 ALA 47 3HB ALA 47 10.847 -1.649 6.914 355 H THR 48 H THR 48 8.688 0.906 4.221 356 HA THR 48 HA THR 48 10.109 -0.551 2.087 357 HB THR 48 HB THR 48 7.944 -0.806 0.943 358 HG1 THR 48 HG1 THR 48 6.961 0.467 3.292 359 HG21 THR 48 1HG2 THR 48 7.083 -2.566 2.298 360 HG22 THR 48 2HG2 THR 48 7.726 -1.834 3.768 361 HG23 THR 48 3HG2 THR 48 8.824 -2.520 2.572 362 H LYS 49 H LYS 49 9.343 0.344 -0.157 363 HA LYS 49 HA LYS 49 9.641 3.271 -0.046 364 HB2 LYS 49 1HB LYS 49 10.752 1.178 -1.843 365 HB3 LYS 49 2HB LYS 49 10.352 2.731 -2.569 366 HG2 LYS 49 1HG LYS 49 11.956 2.737 -0.072 367 HG3 LYS 49 2HG LYS 49 12.741 2.226 -1.567 368 HD2 LYS 49 1HD LYS 49 11.156 4.772 -1.415 369 HD3 LYS 49 2HD LYS 49 12.853 4.711 -0.936 370 HE2 LYS 49 1HE LYS 49 13.104 3.524 -3.282 371 HE3 LYS 49 2HE LYS 49 11.618 4.407 -3.627 372 HZ1 LYS 49 1HZ LYS 49 13.770 5.923 -2.386 373 HZ2 LYS 49 2HZ LYS 49 12.676 6.383 -3.592 374 HZ3 LYS 49 3HZ LYS 49 14.024 5.441 -3.988 375 H ILE 50 H ILE 50 7.414 3.701 0.081 376 HA ILE 50 HA ILE 50 5.625 2.694 -1.950 377 HB ILE 50 HB ILE 50 5.172 4.785 0.182 378 HG12 ILE 50 1HG1 ILE 50 4.148 1.949 0.125 379 HG13 ILE 50 2HG1 ILE 50 5.676 2.378 0.886 380 HG21 ILE 50 1HG2 ILE 50 3.698 4.450 -2.081 381 HG22 ILE 50 2HG2 ILE 50 2.869 3.377 -0.954 382 HG23 ILE 50 3HG2 ILE 50 3.076 5.084 -0.558 383 HD11 ILE 50 1HD1 ILE 50 4.008 4.175 2.028 384 HD12 ILE 50 2HD1 ILE 50 2.928 2.800 1.798 385 HD13 ILE 50 3HD1 ILE 50 4.420 2.606 2.719 386 H GLN 51 H GLN 51 5.587 3.511 -3.929 387 HA GLN 51 HA GLN 51 6.188 6.372 -4.286 388 HB2 GLN 51 1HB GLN 51 7.596 4.419 -5.391 389 HB3 GLN 51 2HB GLN 51 6.293 4.457 -6.571 390 HG2 GLN 51 1HG GLN 51 8.321 5.837 -7.115 391 HG3 GLN 51 2HG GLN 51 6.772 6.676 -7.183 392 HE21 GLN 51 1HE2 GLN 51 7.077 8.688 -6.556 393 HE22 GLN 51 2HE2 GLN 51 7.975 9.196 -5.170 394 H ILE 52 H ILE 52 4.410 7.534 -4.576 395 HA ILE 52 HA ILE 52 2.089 6.306 -5.883 396 HB ILE 52 HB ILE 52 2.295 8.854 -4.275 397 HG12 ILE 52 1HG1 ILE 52 0.821 6.310 -3.591 398 HG13 ILE 52 2HG1 ILE 52 2.473 6.622 -3.068 399 HG21 ILE 52 1HG2 ILE 52 0.591 8.836 -6.142 400 HG22 ILE 52 2HG2 ILE 52 -0.220 7.541 -5.265 401 HG23 ILE 52 3HG2 ILE 52 -0.039 9.130 -4.522 402 HD11 ILE 52 1HD1 ILE 52 1.064 7.200 -1.270 403 HD12 ILE 52 2HD1 ILE 52 1.607 8.719 -1.983 404 HD13 ILE 52 3HD1 ILE 52 -0.017 8.119 -2.317 405 HA PRO 53 HA PRO 53 2.874 8.577 -9.588 406 HB2 PRO 53 1HB PRO 53 0.419 8.306 -10.714 407 HB3 PRO 53 2HB PRO 53 1.593 6.986 -10.642 408 HG2 PRO 53 1HG PRO 53 -0.762 7.525 -8.874 409 HG3 PRO 53 2HG PRO 53 -0.207 5.987 -9.560 410 HD2 PRO 53 1HD PRO 53 0.302 6.710 -7.000 411 HD3 PRO 53 2HD PRO 53 1.423 5.715 -7.953 412 H ARG 54 H ARG 54 2.229 10.512 -10.676 413 HA ARG 54 HA ARG 54 1.421 12.591 -8.953 414 HB2 ARG 54 1HB ARG 54 1.918 12.379 -11.900 415 HB3 ARG 54 2HB ARG 54 1.195 13.842 -11.243 416 HG2 ARG 54 1HG ARG 54 3.099 14.315 -9.935 417 HG3 ARG 54 2HG ARG 54 3.769 12.703 -10.198 418 HD2 ARG 54 1HD ARG 54 3.299 14.670 -12.426 419 HD3 ARG 54 2HD ARG 54 4.815 14.580 -11.531 420 HE ARG 54 HE ARG 54 4.361 12.023 -12.372 421 HH11 ARG 54 1HH1 ARG 54 4.625 15.123 -13.933 422 HH12 ARG 54 2HH1 ARG 54 5.257 14.472 -15.409 423 HH21 ARG 54 1HH2 ARG 54 5.192 11.153 -14.310 424 HH22 ARG 54 2HH2 ARG 54 5.578 12.214 -15.623 425 HA PRO 55 HA PRO 55 -2.954 12.693 -9.258 426 HB2 PRO 55 1HB PRO 55 -3.457 15.361 -9.322 427 HB3 PRO 55 2HB PRO 55 -2.906 14.522 -7.867 428 HG2 PRO 55 1HG PRO 55 -1.330 16.140 -9.831 429 HG3 PRO 55 2HG PRO 55 -1.242 16.133 -8.061 430 HD2 PRO 55 1HD PRO 55 0.538 14.809 -9.614 431 HD3 PRO 55 2HD PRO 55 0.055 14.227 -8.008 432 H ASP 56 H ASP 56 -1.010 13.712 -11.801 433 HA ASP 56 HA ASP 56 -3.348 14.056 -13.562 434 HB2 ASP 56 1HB ASP 56 -0.574 15.235 -13.803 435 HB3 ASP 56 2HB ASP 56 -1.794 15.321 -15.072 436 H ASP 57 H ASP 57 -0.791 12.058 -12.744 437 HA ASP 57 HA ASP 57 -0.184 11.021 -15.348 438 HB2 ASP 57 1HB ASP 57 1.196 10.948 -13.090 439 HB3 ASP 57 2HB ASP 57 0.318 9.436 -12.865 440 HA PRO 58 HA PRO 58 -3.610 8.293 -15.817 441 HB2 PRO 58 1HB PRO 58 -2.525 6.581 -17.623 442 HB3 PRO 58 2HB PRO 58 -3.044 8.217 -18.043 443 HG2 PRO 58 1HG PRO 58 -0.294 7.198 -17.444 444 HG3 PRO 58 2HG PRO 58 -0.821 8.311 -18.719 445 HD2 PRO 58 1HD PRO 58 0.348 9.165 -16.431 446 HD3 PRO 58 2HD PRO 58 -0.878 10.119 -17.291 447 H SER 59 H SER 59 -0.827 7.544 -14.192 448 HA SER 59 HA SER 59 -1.410 4.702 -13.874 449 HB2 SER 59 1HB SER 59 0.889 6.480 -13.173 450 HB3 SER 59 2HB SER 59 0.660 4.994 -12.250 451 HG SER 59 HG SER 59 0.844 5.152 -15.080 452 H ASN 60 H ASN 60 -2.671 3.979 -12.303 453 HA ASN 60 HA ASN 60 -3.027 5.652 -9.903 454 HB2 ASN 60 1HB ASN 60 -5.309 4.810 -9.734 455 HB3 ASN 60 2HB ASN 60 -5.057 5.557 -11.309 456 HD21 ASN 60 1HD2 ASN 60 -6.591 3.135 -9.923 457 HD22 ASN 60 2HD2 ASN 60 -6.538 1.943 -11.172 458 H GLN 61 H GLN 61 -1.235 3.269 -10.663 459 HA GLN 61 HA GLN 61 -2.045 1.454 -8.496 460 HB2 GLN 61 1HB GLN 61 -0.413 -0.138 -9.557 461 HB3 GLN 61 2HB GLN 61 -1.814 0.257 -10.545 462 HG2 GLN 61 1HG GLN 61 -0.509 1.779 -11.873 463 HG3 GLN 61 2HG GLN 61 0.891 1.543 -10.828 464 HE21 GLN 61 1HE2 GLN 61 -1.368 -0.876 -12.035 465 HE22 GLN 61 2HE2 GLN 61 -0.204 -1.771 -12.946 466 H ILE 62 H ILE 62 -0.992 1.627 -6.641 467 HA ILE 62 HA ILE 62 1.365 3.241 -6.400 468 HB ILE 62 HB ILE 62 -0.262 1.643 -4.448 469 HG12 ILE 62 1HG1 ILE 62 0.462 4.577 -4.514 470 HG13 ILE 62 2HG1 ILE 62 -0.998 3.912 -5.239 471 HG21 ILE 62 1HG2 ILE 62 1.946 1.278 -3.667 472 HG22 ILE 62 2HG2 ILE 62 2.403 2.955 -3.970 473 HG23 ILE 62 3HG2 ILE 62 1.268 2.569 -2.676 474 HD11 ILE 62 1HD1 ILE 62 -1.191 2.924 -2.736 475 HD12 ILE 62 2HD1 ILE 62 -0.357 4.449 -2.430 476 HD13 ILE 62 3HD1 ILE 62 -1.909 4.444 -3.267 477 H LYS 63 H LYS 63 3.414 2.573 -5.644 478 HA LYS 63 HA LYS 63 4.031 -0.247 -6.230 479 HB2 LYS 63 1HB LYS 63 5.108 1.198 -7.823 480 HB3 LYS 63 2HB LYS 63 5.724 2.235 -6.543 481 HG2 LYS 63 1HG LYS 63 7.119 0.370 -5.741 482 HG3 LYS 63 2HG LYS 63 6.541 -0.612 -7.089 483 HD2 LYS 63 1HD LYS 63 7.714 2.056 -7.690 484 HD3 LYS 63 2HD LYS 63 8.807 0.749 -7.230 485 HE2 LYS 63 1HE LYS 63 8.742 0.478 -9.509 486 HE3 LYS 63 2HE LYS 63 7.442 -0.603 -9.012 487 HZ1 LYS 63 1HZ LYS 63 6.356 1.945 -9.348 488 HZ2 LYS 63 2HZ LYS 63 6.063 0.558 -10.271 489 HZ3 LYS 63 3HZ LYS 63 7.302 1.622 -10.714 490 H ILE 64 H ILE 64 5.102 -1.449 -4.749 491 HA ILE 64 HA ILE 64 6.096 -0.097 -2.332 492 HB ILE 64 HB ILE 64 5.269 -2.406 -1.250 493 HG12 ILE 64 1HG1 ILE 64 3.182 -1.768 -3.347 494 HG13 ILE 64 2HG1 ILE 64 4.261 -3.158 -3.393 495 HG21 ILE 64 1HG2 ILE 64 3.783 -1.133 -0.079 496 HG22 ILE 64 2HG2 ILE 64 4.728 0.149 -0.836 497 HG23 ILE 64 3HG2 ILE 64 3.172 -0.320 -1.520 498 HD11 ILE 64 1HD1 ILE 64 2.973 -3.161 -0.878 499 HD12 ILE 64 2HD1 ILE 64 1.745 -2.902 -2.117 500 HD13 ILE 64 3HD1 ILE 64 2.803 -4.310 -2.205 501 H THR 65 H THR 65 8.145 -0.581 -1.951 502 HA THR 65 HA THR 65 9.161 -3.214 -2.796 503 HB THR 65 HB THR 65 10.806 -0.685 -2.888 504 HG1 THR 65 HG1 THR 65 9.276 -1.958 -4.920 505 HG21 THR 65 1HG2 THR 65 12.077 -2.760 -2.698 506 HG22 THR 65 2HG2 THR 65 12.283 -2.053 -4.301 507 HG23 THR 65 3HG2 THR 65 11.208 -3.433 -4.078 508 H GLY 66 H GLY 66 10.654 -4.203 -1.451 509 HA2 GLY 66 1HA GLY 66 12.246 -3.358 0.507 510 HA3 GLY 66 2HA GLY 66 10.677 -3.197 1.282 511 H THR 67 H THR 67 11.318 -4.743 2.850 512 HA THR 67 HA THR 67 12.038 -7.408 2.075 513 HB THR 67 HB THR 67 11.421 -7.794 4.619 514 HG1 THR 67 HG1 THR 67 10.498 -5.569 4.657 515 HG21 THR 67 1HG2 THR 67 13.677 -7.170 5.223 516 HG22 THR 67 2HG2 THR 67 13.797 -6.113 3.816 517 HG23 THR 67 3HG2 THR 67 13.683 -7.859 3.601 518 H LYS 68 H LYS 68 10.801 -9.257 2.115 519 HA LYS 68 HA LYS 68 8.248 -9.275 1.225 520 HB2 LYS 68 1HB LYS 68 9.772 -11.262 1.494 521 HB3 LYS 68 2HB LYS 68 9.293 -11.321 3.186 522 HG2 LYS 68 1HG LYS 68 7.917 -12.889 2.183 523 HG3 LYS 68 2HG LYS 68 6.889 -11.459 2.281 524 HD2 LYS 68 1HD LYS 68 6.538 -12.201 0.109 525 HD3 LYS 68 2HD LYS 68 7.770 -10.953 -0.098 526 HE2 LYS 68 1HE LYS 68 8.370 -12.878 -1.413 527 HE3 LYS 68 2HE LYS 68 9.502 -12.723 -0.070 528 HZ1 LYS 68 1HZ LYS 68 7.233 -14.367 0.550 529 HZ2 LYS 68 2HZ LYS 68 8.882 -14.680 0.758 530 HZ3 LYS 68 3HZ LYS 68 8.148 -14.974 -0.738 531 H GLU 69 H GLU 69 9.281 -8.831 4.533 532 HA GLU 69 HA GLU 69 6.624 -9.085 5.625 533 HB2 GLU 69 1HB GLU 69 9.212 -8.103 6.839 534 HB3 GLU 69 2HB GLU 69 7.708 -8.285 7.730 535 HG2 GLU 69 1HG GLU 69 9.206 -10.501 6.351 536 HG3 GLU 69 2HG GLU 69 9.216 -10.170 8.082 537 H GLY 70 H GLY 70 8.819 -6.466 4.742 538 HA2 GLY 70 1HA GLY 70 7.267 -4.356 5.825 539 HA3 GLY 70 2HA GLY 70 8.504 -4.195 4.587 540 H ILE 71 H ILE 71 7.584 -5.498 2.462 541 HA ILE 71 HA ILE 71 5.715 -3.768 1.334 542 HB ILE 71 HB ILE 71 6.347 -6.588 0.452 543 HG12 ILE 71 1HG1 ILE 71 7.565 -3.997 -0.514 544 HG13 ILE 71 2HG1 ILE 71 8.312 -5.022 0.705 545 HG21 ILE 71 1HG2 ILE 71 4.857 -4.328 -0.799 546 HG22 ILE 71 2HG2 ILE 71 5.772 -5.434 -1.822 547 HG23 ILE 71 3HG2 ILE 71 4.486 -6.051 -0.786 548 HD11 ILE 71 1HD1 ILE 71 8.998 -6.539 -0.804 549 HD12 ILE 71 2HD1 ILE 71 7.558 -6.355 -1.807 550 HD13 ILE 71 3HD1 ILE 71 8.862 -5.172 -1.909 551 H GLU 72 H GLU 72 5.274 -6.960 2.795 552 HA GLU 72 HA GLU 72 2.604 -7.381 2.128 553 HB2 GLU 72 1HB GLU 72 4.354 -8.304 4.371 554 HB3 GLU 72 2HB GLU 72 2.633 -8.652 4.430 555 HG2 GLU 72 1HG GLU 72 2.762 -9.842 2.335 556 HG3 GLU 72 2HG GLU 72 4.464 -9.417 2.168 557 H LYS 73 H LYS 73 3.962 -5.843 5.035 558 HA LYS 73 HA LYS 73 1.598 -5.256 6.353 559 HB2 LYS 73 1HB LYS 73 4.292 -3.939 6.293 560 HB3 LYS 73 2HB LYS 73 2.977 -3.203 7.201 561 HG2 LYS 73 1HG LYS 73 2.760 -5.162 8.575 562 HG3 LYS 73 2HG LYS 73 3.950 -6.026 7.597 563 HD2 LYS 73 1HD LYS 73 5.707 -4.602 8.330 564 HD3 LYS 73 2HD LYS 73 4.571 -3.473 9.070 565 HE2 LYS 73 1HE LYS 73 3.990 -5.066 10.760 566 HE3 LYS 73 2HE LYS 73 4.911 -6.333 9.953 567 HZ1 LYS 73 1HZ LYS 73 5.851 -4.112 11.598 568 HZ2 LYS 73 2HZ LYS 73 6.831 -4.576 10.300 569 HZ3 LYS 73 3HZ LYS 73 6.424 -5.701 11.497 570 H ALA 74 H ALA 74 3.423 -3.076 4.196 571 HA ALA 74 HA ALA 74 1.530 -1.017 4.141 572 HB1 ALA 74 1HB ALA 74 3.965 -1.687 2.743 573 HB2 ALA 74 2HB ALA 74 2.785 -0.949 1.659 574 HB3 ALA 74 3HB ALA 74 3.283 -0.105 3.125 575 H ARG 75 H ARG 75 1.838 -3.930 2.185 576 HA ARG 75 HA ARG 75 -0.116 -3.242 0.255 577 HB2 ARG 75 1HB ARG 75 1.699 -5.137 0.270 578 HB3 ARG 75 2HB ARG 75 0.424 -6.084 1.024 579 HG2 ARG 75 1HG ARG 75 -0.906 -6.044 -0.865 580 HG3 ARG 75 2HG ARG 75 -0.110 -4.610 -1.518 581 HD2 ARG 75 1HD ARG 75 1.974 -6.062 -1.718 582 HD3 ARG 75 2HD ARG 75 0.909 -7.436 -1.428 583 HE ARG 75 HE ARG 75 1.189 -5.982 -3.855 584 HH11 ARG 75 1HH1 ARG 75 -1.120 -7.693 -1.891 585 HH12 ARG 75 2HH1 ARG 75 -2.139 -8.116 -3.226 586 HH21 ARG 75 1HH2 ARG 75 -0.144 -6.533 -5.622 587 HH22 ARG 75 2HH2 ARG 75 -1.582 -7.456 -5.349 588 H HIS 76 H HIS 76 -0.259 -4.914 3.353 589 HA HIS 76 HA HIS 76 -2.988 -5.704 3.116 590 HB2 HIS 76 1HB HIS 76 -1.187 -6.684 4.665 591 HB3 HIS 76 2HB HIS 76 -1.525 -5.315 5.721 592 HD1 HIS 76 HD1 HIS 76 -3.126 -8.429 4.341 593 HD2 HIS 76 HD2 HIS 76 -3.837 -5.520 7.221 594 HE1 HIS 76 HE1 HIS 76 -5.073 -9.278 5.687 595 H GLU 77 H GLU 77 -1.341 -2.859 4.306 596 HA GLU 77 HA GLU 77 -3.662 -1.757 5.594 597 HB2 GLU 77 1HB GLU 77 -1.007 -0.524 4.843 598 HB3 GLU 77 2HB GLU 77 -2.257 0.305 5.759 599 HG2 GLU 77 1HG GLU 77 -0.861 -2.222 6.612 600 HG3 GLU 77 2HG GLU 77 -0.491 -0.598 7.191 601 H VAL 78 H VAL 78 -1.862 -1.044 2.610 602 HA VAL 78 HA VAL 78 -3.497 1.041 1.701 603 HB VAL 78 HB VAL 78 -1.220 0.325 0.795 604 HG11 VAL 78 1HG1 VAL 78 -2.149 -2.054 0.374 605 HG12 VAL 78 2HG1 VAL 78 -2.779 -1.363 -1.123 606 HG13 VAL 78 3HG1 VAL 78 -1.044 -1.346 -0.803 607 HG21 VAL 78 1HG2 VAL 78 -3.531 1.123 -0.947 608 HG22 VAL 78 2HG2 VAL 78 -2.266 2.141 -0.258 609 HG23 VAL 78 3HG2 VAL 78 -1.885 1.029 -1.572 610 H LEU 79 H LEU 79 -3.786 -2.445 1.384 611 HA LEU 79 HA LEU 79 -5.933 -2.349 -0.507 612 HB2 LEU 79 1HB LEU 79 -4.565 -4.452 1.083 613 HB3 LEU 79 2HB LEU 79 -6.172 -4.808 0.456 614 HG LEU 79 HG LEU 79 -3.933 -3.874 -1.320 615 HD11 LEU 79 1HD1 LEU 79 -4.240 -6.435 0.006 616 HD12 LEU 79 2HD1 LEU 79 -2.890 -5.800 -0.932 617 HD13 LEU 79 3HD1 LEU 79 -4.241 -6.583 -1.752 618 HD21 LEU 79 1HD2 LEU 79 -5.353 -4.216 -3.019 619 HD22 LEU 79 2HD2 LEU 79 -6.608 -4.118 -1.784 620 HD23 LEU 79 3HD2 LEU 79 -6.005 -5.692 -2.307 621 H LEU 80 H LEU 80 -5.673 -2.723 2.994 622 HA LEU 80 HA LEU 80 -8.380 -3.293 3.504 623 HB2 LEU 80 1HB LEU 80 -6.089 -2.275 5.104 624 HB3 LEU 80 2HB LEU 80 -7.709 -2.136 5.784 625 HG LEU 80 HG LEU 80 -6.417 -4.717 4.905 626 HD11 LEU 80 1HD1 LEU 80 -6.965 -3.868 7.729 627 HD12 LEU 80 2HD1 LEU 80 -5.433 -3.513 6.932 628 HD13 LEU 80 3HD1 LEU 80 -5.948 -5.187 7.146 629 HD21 LEU 80 1HD2 LEU 80 -9.108 -4.072 5.288 630 HD22 LEU 80 2HD2 LEU 80 -8.618 -4.925 6.752 631 HD23 LEU 80 3HD2 LEU 80 -8.400 -5.683 5.173 632 H ILE 81 H ILE 81 -6.608 -0.243 3.287 633 HA ILE 81 HA ILE 81 -8.736 1.428 4.108 634 HB ILE 81 HB ILE 81 -6.324 2.036 2.400 635 HG12 ILE 81 1HG1 ILE 81 -6.785 2.902 5.240 636 HG13 ILE 81 2HG1 ILE 81 -6.141 1.302 4.888 637 HG21 ILE 81 1HG2 ILE 81 -7.195 4.025 1.954 638 HG22 ILE 81 2HG2 ILE 81 -8.661 3.597 2.836 639 HG23 ILE 81 3HG2 ILE 81 -7.312 4.356 3.683 640 HD11 ILE 81 1HD1 ILE 81 -4.774 3.781 5.027 641 HD12 ILE 81 2HD1 ILE 81 -4.120 2.170 4.728 642 HD13 ILE 81 3HD1 ILE 81 -4.653 3.170 3.378 643 H SER 82 H SER 82 -7.461 0.743 0.848 644 HA SER 82 HA SER 82 -9.345 2.164 -0.609 645 HB2 SER 82 1HB SER 82 -8.742 0.730 -2.506 646 HB3 SER 82 2HB SER 82 -7.306 1.194 -1.596 647 HG SER 82 HG SER 82 -7.211 -1.000 -2.018 648 H ALA 83 H ALA 83 -9.456 -1.200 0.504 649 HA ALA 83 HA ALA 83 -11.835 -1.972 -0.724 650 HB1 ALA 83 1HB ALA 83 -11.999 -3.598 1.230 651 HB2 ALA 83 2HB ALA 83 -10.539 -3.672 0.244 652 HB3 ALA 83 3HB ALA 83 -10.503 -2.870 1.813 653 H GLU 84 H GLU 84 -11.386 -0.769 2.608 654 HA GLU 84 HA GLU 84 -13.941 -0.726 3.514 655 HB2 GLU 84 1HB GLU 84 -11.653 1.158 3.922 656 HB3 GLU 84 2HB GLU 84 -13.220 1.549 4.618 657 HG2 GLU 84 1HG GLU 84 -13.222 -0.486 5.893 658 HG3 GLU 84 2HG GLU 84 -11.737 -1.023 5.107 659 H GLN 85 H GLN 85 -12.443 1.774 1.482 660 HA GLN 85 HA GLN 85 -14.575 3.547 1.353 661 HB2 GLN 85 1HB GLN 85 -12.606 2.902 -0.849 662 HB3 GLN 85 2HB GLN 85 -13.580 4.361 -0.731 663 HG2 GLN 85 1HG GLN 85 -11.407 3.505 1.166 664 HG3 GLN 85 2HG GLN 85 -11.314 4.798 -0.028 665 HE21 GLN 85 1HE2 GLN 85 -10.891 5.010 2.795 666 HE22 GLN 85 2HE2 GLN 85 -12.076 6.108 3.405 667 H ASP 86 H ASP 86 -13.818 0.841 -0.830 668 HA ASP 86 HA ASP 86 -15.948 1.124 -2.588 669 HB2 ASP 86 1HB ASP 86 -14.094 -0.425 -2.986 670 HB3 ASP 86 2HB ASP 86 -14.630 -1.431 -1.644 671 H LYS 87 H LYS 87 -15.787 -0.801 0.399 672 HA LYS 87 HA LYS 87 -18.349 -1.877 0.324 673 HB2 LYS 87 1HB LYS 87 -16.753 -2.688 1.921 674 HB3 LYS 87 2HB LYS 87 -16.612 -1.103 2.670 675 HG2 LYS 87 1HG LYS 87 -19.155 -1.400 3.140 676 HG3 LYS 87 2HG LYS 87 -18.805 -3.112 2.887 677 HD2 LYS 87 1HD LYS 87 -17.068 -1.520 4.720 678 HD3 LYS 87 2HD LYS 87 -18.651 -2.059 5.283 679 HE2 LYS 87 1HE LYS 87 -17.336 -3.825 5.933 680 HE3 LYS 87 2HE LYS 87 -17.859 -4.370 4.340 681 HZ1 LYS 87 1HZ LYS 87 -15.276 -3.030 4.933 682 HZ2 LYS 87 2HZ LYS 87 -15.776 -3.591 3.418 683 HZ3 LYS 87 3HZ LYS 87 -15.482 -4.688 4.671 684 H ARG 88 H ARG 88 -17.262 1.083 1.990 685 HA ARG 88 HA ARG 88 -19.916 1.859 2.708 686 HB2 ARG 88 1HB ARG 88 -17.306 3.380 2.704 687 HB3 ARG 88 2HB ARG 88 -18.816 4.027 3.331 688 HG2 ARG 88 1HG ARG 88 -18.903 2.199 4.968 689 HG3 ARG 88 2HG ARG 88 -17.361 1.598 4.355 690 HD2 ARG 88 1HD ARG 88 -16.979 2.906 6.346 691 HD3 ARG 88 2HD ARG 88 -16.322 3.757 4.949 692 HE ARG 88 HE ARG 88 -18.553 4.573 6.604 693 HH11 ARG 88 1HH1 ARG 88 -16.840 4.988 3.602 694 HH12 ARG 88 2HH1 ARG 88 -17.461 6.580 3.317 695 HH21 ARG 88 1HH2 ARG 88 -19.377 6.669 6.239 696 HH22 ARG 88 2HH2 ARG 88 -18.904 7.536 4.818 697 H SER 89 H SER 89 -21.382 2.856 1.500 698 HA SER 89 HA SER 89 -20.503 4.547 -0.728 699 HB2 SER 89 1HB SER 89 -22.275 3.559 -2.175 700 HB3 SER 89 2HB SER 89 -21.013 2.402 -1.750 701 HG SER 89 HG SER 89 -22.655 2.011 0.113 702 H GLY 90 H GLY 90 -21.344 6.493 -0.423 703 HA2 GLY 90 1HA GLY 90 -22.903 8.145 -0.042 704 HA3 GLY 90 2HA GLY 90 -24.141 6.899 -0.055 705 HA PRO 91 HA PRO 91 -24.598 7.954 4.227 706 HB2 PRO 91 1HB PRO 91 -26.473 6.078 4.804 707 HB3 PRO 91 2HB PRO 91 -26.841 7.563 3.921 708 HG2 PRO 91 1HG PRO 91 -26.350 4.805 2.866 709 HG3 PRO 91 2HG PRO 91 -27.584 5.983 2.384 710 HD2 PRO 91 1HD PRO 91 -25.316 5.586 0.961 711 HD3 PRO 91 2HD PRO 91 -26.117 7.167 1.058 712 H SER 92 H SER 92 -23.797 7.220 6.149 713 HA SER 92 HA SER 92 -22.140 4.847 6.047 714 HB2 SER 92 1HB SER 92 -21.248 5.599 8.170 715 HB3 SER 92 2HB SER 92 -21.342 6.979 7.077 716 HG SER 92 HG SER 92 -22.474 7.880 8.588 717 H SER 93 H SER 93 -23.153 2.962 6.318 718 HA SER 93 HA SER 93 -25.165 2.753 8.458 719 HB2 SER 93 1HB SER 93 -25.989 0.745 7.230 720 HB3 SER 93 2HB SER 93 -26.108 2.228 6.285 721 HG SER 93 HG SER 93 -25.168 0.251 5.258 722 H GLY 94 H GLY 94 -23.894 2.247 10.198 723 HA2 GLY 94 1HA GLY 94 -21.752 0.363 10.076 724 HA3 GLY 94 2HA GLY 94 -22.462 1.036 11.536
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