NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
529786 | 2lh0 | 17832 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 H1 GLY -2 -15.962 8.296 -15.958 2 H2 GLY -2 H2 GLY -2 -16.010 7.534 -14.449 3 H3 GLY -2 H3 GLY -2 -16.369 6.658 -15.850 4 HA2 GLY -2 HA2 GLY -2 -14.010 6.540 -14.693 5 HA3 GLY -2 HA3 GLY -2 -14.225 6.366 -16.428 6 H HIS -1 H HIS -1 -14.731 9.424 -14.837 7 HA HIS -1 HA HIS -1 -12.488 10.529 -16.348 8 HB2 HIS -1 HB2 HIS -1 -15.043 11.447 -15.955 9 HB3 HIS -1 HB3 HIS -1 -14.135 12.389 -14.778 10 HD1 HIS -1 HD1 HIS -1 -13.349 14.535 -15.696 11 HD2 HIS -1 HD2 HIS -1 -13.587 11.606 -18.633 12 HE1 HIS -1 HE1 HIS -1 -12.662 15.669 -17.832 13 HE2 HIS -1 HE2 HIS -1 -12.735 13.857 -19.581 14 H MET 0 H MET 0 -10.790 9.741 -15.033 15 HA MET 0 HA MET 0 -10.436 11.291 -12.563 16 HB2 MET 0 HB2 MET 0 -9.566 8.414 -12.826 17 HB3 MET 0 HB3 MET 0 -9.558 9.412 -11.378 18 HG2 MET 0 HG2 MET 0 -12.062 8.616 -12.839 19 HG3 MET 0 HG3 MET 0 -11.378 7.706 -11.493 20 HE1 MET 0 HE1 MET 0 -14.316 8.694 -10.011 21 HE2 MET 0 HE2 MET 0 -14.064 8.449 -11.739 22 HE3 MET 0 HE3 MET 0 -14.671 9.995 -11.146 23 H MET 1 H MET 1 -8.382 12.032 -12.180 24 HA MET 1 HA MET 1 -6.613 12.101 -14.442 25 HB2 MET 1 HB2 MET 1 -7.132 13.838 -12.418 26 HB3 MET 1 HB3 MET 1 -5.628 13.123 -11.855 27 HG2 MET 1 HG2 MET 1 -5.015 13.639 -14.440 28 HG3 MET 1 HG3 MET 1 -6.133 14.955 -14.086 29 HE1 MET 1 HE1 MET 1 -2.716 16.211 -14.377 30 HE2 MET 1 HE2 MET 1 -3.219 14.618 -14.941 31 HE3 MET 1 HE3 MET 1 -1.965 14.761 -13.710 32 H SER 2 H SER 2 -6.299 10.947 -11.084 33 HA SER 2 HA SER 2 -4.786 8.665 -11.878 34 HB2 SER 2 HB2 SER 2 -3.209 10.830 -11.819 35 HB3 SER 2 HB3 SER 2 -3.151 10.409 -10.108 36 HG SER 2 HG SER 2 -2.552 8.259 -10.818 37 H LYS 3 H LYS 3 -6.592 7.824 -10.659 38 HA LYS 3 HA LYS 3 -6.017 7.784 -7.780 39 HB2 LYS 3 HB2 LYS 3 -8.440 8.747 -9.086 40 HB3 LYS 3 HB3 LYS 3 -8.770 7.474 -7.918 41 HG2 LYS 3 HG2 LYS 3 -7.601 8.747 -6.194 42 HG3 LYS 3 HG3 LYS 3 -7.264 10.023 -7.367 43 HD2 LYS 3 HD2 LYS 3 -9.817 10.089 -7.705 44 HD3 LYS 3 HD3 LYS 3 -9.895 9.188 -6.189 45 HE2 LYS 3 HE2 LYS 3 -9.296 10.973 -4.948 46 HE3 LYS 3 HE3 LYS 3 -8.155 11.560 -6.157 47 HZ1 LYS 3 HZ1 LYS 3 -11.103 11.897 -6.192 48 HZ2 LYS 3 HZ2 LYS 3 -10.078 12.350 -7.459 49 HZ3 LYS 3 HZ3 LYS 3 -9.948 13.108 -5.952 50 H LEU 4 H LEU 4 -6.437 5.844 -6.734 51 HA LEU 4 HA LEU 4 -7.846 3.673 -7.801 52 HB2 LEU 4 HB2 LEU 4 -5.982 2.190 -8.425 53 HB3 LEU 4 HB3 LEU 4 -6.129 3.573 -9.493 54 HG LEU 4 HG LEU 4 -4.160 3.494 -7.214 55 HD11 LEU 4 HD11 LEU 4 -3.220 1.809 -8.392 56 HD12 LEU 4 HD12 LEU 4 -2.607 3.149 -9.362 57 HD13 LEU 4 HD13 LEU 4 -4.032 2.256 -9.893 58 HD21 LEU 4 HD21 LEU 4 -3.051 5.136 -8.913 59 HD22 LEU 4 HD22 LEU 4 -4.350 5.697 -7.859 60 HD23 LEU 4 HD23 LEU 4 -4.692 5.287 -9.540 61 H PHE 5 H PHE 5 -5.083 4.675 -5.860 62 HA PHE 5 HA PHE 5 -5.003 2.498 -4.099 63 HB2 PHE 5 HB2 PHE 5 -3.186 4.103 -4.196 64 HB3 PHE 5 HB3 PHE 5 -4.252 5.394 -3.653 65 HD1 PHE 5 HD1 PHE 5 -3.779 1.922 -2.387 66 HD2 PHE 5 HD2 PHE 5 -3.477 6.093 -1.599 67 HE1 PHE 5 HE1 PHE 5 -3.174 1.434 -0.053 68 HE2 PHE 5 HE2 PHE 5 -2.869 5.613 0.736 69 HZ PHE 5 HZ PHE 5 -2.717 3.281 1.512 70 H LEU 6 H LEU 6 -6.960 5.416 -4.108 71 HA LEU 6 HA LEU 6 -8.046 5.057 -1.502 72 HB2 LEU 6 HB2 LEU 6 -9.061 6.645 -3.858 73 HB3 LEU 6 HB3 LEU 6 -9.726 6.733 -2.238 74 HG LEU 6 HG LEU 6 -7.275 7.363 -1.565 75 HD11 LEU 6 HD11 LEU 6 -6.505 8.880 -3.615 76 HD12 LEU 6 HD12 LEU 6 -7.268 7.569 -4.516 77 HD13 LEU 6 HD13 LEU 6 -5.950 7.219 -3.396 78 HD21 LEU 6 HD21 LEU 6 -8.992 9.340 -3.056 79 HD22 LEU 6 HD22 LEU 6 -7.828 9.687 -1.777 80 HD23 LEU 6 HD23 LEU 6 -9.302 8.792 -1.409 81 H ASP 7 H ASP 7 -8.724 3.654 -4.570 82 HA ASP 7 HA ASP 7 -11.373 2.757 -3.726 83 HB2 ASP 7 HB2 ASP 7 -10.013 3.131 -6.292 84 HB3 ASP 7 HB3 ASP 7 -10.902 1.614 -6.194 85 H GLU 8 H GLU 8 -8.922 1.783 -2.436 86 HA GLU 8 HA GLU 8 -9.319 -1.080 -2.954 87 HB2 GLU 8 HB2 GLU 8 -7.010 0.256 -3.625 88 HB3 GLU 8 HB3 GLU 8 -6.625 -0.380 -2.032 89 HG2 GLU 8 HG2 GLU 8 -5.906 -2.051 -3.450 90 HG3 GLU 8 HG3 GLU 8 -7.499 -2.618 -2.951 91 H LEU 9 H LEU 9 -10.456 0.716 -0.952 92 HA LEU 9 HA LEU 9 -10.060 -0.917 1.342 93 HB2 LEU 9 HB2 LEU 9 -9.362 1.113 2.788 94 HB3 LEU 9 HB3 LEU 9 -8.137 0.235 1.894 95 HG LEU 9 HG LEU 9 -8.587 2.076 0.067 96 HD11 LEU 9 HD11 LEU 9 -9.601 3.987 0.692 97 HD12 LEU 9 HD12 LEU 9 -9.003 3.890 2.348 98 HD13 LEU 9 HD13 LEU 9 -10.407 2.940 1.860 99 HD21 LEU 9 HD21 LEU 9 -6.598 1.581 1.808 100 HD22 LEU 9 HD22 LEU 9 -7.082 3.190 2.346 101 HD23 LEU 9 HD23 LEU 9 -6.588 2.930 0.672 102 HA PRO 10 HA PRO 10 -14.082 0.349 2.577 103 HB2 PRO 10 HB2 PRO 10 -12.897 1.406 5.108 104 HB3 PRO 10 HB3 PRO 10 -14.273 0.320 4.878 105 HG2 PRO 10 HG2 PRO 10 -11.921 -0.636 5.664 106 HG3 PRO 10 HG3 PRO 10 -12.921 -1.529 4.502 107 HD2 PRO 10 HD2 PRO 10 -10.446 0.064 4.044 108 HD3 PRO 10 HD3 PRO 10 -11.018 -1.398 3.217 109 H GLU 11 H GLU 11 -15.437 2.167 2.780 110 HA GLU 11 HA GLU 11 -14.458 4.548 1.634 111 HB2 GLU 11 HB2 GLU 11 -16.954 3.432 2.102 112 HB3 GLU 11 HB3 GLU 11 -16.956 4.876 3.104 113 HG2 GLU 11 HG2 GLU 11 -17.759 5.747 1.169 114 HG3 GLU 11 HG3 GLU 11 -16.032 5.992 0.908 115 H SER 12 H SER 12 -14.934 3.534 4.942 116 HA SER 12 HA SER 12 -14.895 6.016 6.223 117 HB2 SER 12 HB2 SER 12 -13.664 3.476 7.304 118 HB3 SER 12 HB3 SER 12 -14.333 4.821 8.228 119 HG SER 12 HG SER 12 -15.619 2.721 7.640 120 H LEU 13 H LEU 13 -12.248 3.940 5.145 121 HA LEU 13 HA LEU 13 -10.221 5.667 6.238 122 HB2 LEU 13 HB2 LEU 13 -10.350 3.048 5.012 123 HB3 LEU 13 HB3 LEU 13 -9.032 3.991 4.340 124 HG LEU 13 HG LEU 13 -9.367 3.748 7.311 125 HD11 LEU 13 HD11 LEU 13 -9.190 1.514 7.008 126 HD12 LEU 13 HD12 LEU 13 -7.481 1.914 6.833 127 HD13 LEU 13 HD13 LEU 13 -8.481 1.675 5.401 128 HD21 LEU 13 HD21 LEU 13 -7.218 4.520 7.434 129 HD22 LEU 13 HD22 LEU 13 -7.756 5.338 5.966 130 HD23 LEU 13 HD23 LEU 13 -6.777 3.875 5.852 131 H SER 14 H SER 14 -11.480 4.924 3.008 132 HA SER 14 HA SER 14 -9.742 6.522 1.521 133 HB2 SER 14 HB2 SER 14 -11.258 6.280 -0.277 134 HB3 SER 14 HB3 SER 14 -11.462 4.817 0.684 135 HG SER 14 HG SER 14 -13.485 5.612 0.221 136 H ARG 15 H ARG 15 -12.437 7.387 3.523 137 HA ARG 15 HA ARG 15 -12.855 9.980 2.380 138 HB2 ARG 15 HB2 ARG 15 -14.144 8.335 4.296 139 HB3 ARG 15 HB3 ARG 15 -13.763 9.853 5.096 140 HG2 ARG 15 HG2 ARG 15 -14.809 10.475 2.541 141 HG3 ARG 15 HG3 ARG 15 -15.867 9.271 3.278 142 HD2 ARG 15 HD2 ARG 15 -16.183 10.639 5.216 143 HD3 ARG 15 HD3 ARG 15 -14.952 11.779 4.674 144 HE ARG 15 HE ARG 15 -17.141 11.481 2.836 145 HH11 ARG 15 HH11 ARG 15 -15.996 13.165 5.670 146 HH12 ARG 15 HH12 ARG 15 -17.029 14.533 5.428 147 HH21 ARG 15 HH21 ARG 15 -18.502 13.280 2.516 148 HH22 ARG 15 HH22 ARG 15 -18.453 14.598 3.638 149 H LYS 16 H LYS 16 -11.302 8.816 5.366 150 HA LYS 16 HA LYS 16 -10.426 11.378 6.204 151 HB2 LYS 16 HB2 LYS 16 -8.944 10.101 7.749 152 HB3 LYS 16 HB3 LYS 16 -10.630 9.606 7.818 153 HG2 LYS 16 HG2 LYS 16 -10.217 7.567 6.855 154 HG3 LYS 16 HG3 LYS 16 -8.772 8.136 6.016 155 HD2 LYS 16 HD2 LYS 16 -7.564 7.205 7.637 156 HD3 LYS 16 HD3 LYS 16 -8.199 8.434 8.732 157 HE2 LYS 16 HE2 LYS 16 -9.707 5.903 8.161 158 HE3 LYS 16 HE3 LYS 16 -8.456 5.970 9.402 159 HZ1 LYS 16 HZ1 LYS 16 -10.464 8.069 9.494 160 HZ2 LYS 16 HZ2 LYS 16 -9.741 7.205 10.756 161 HZ3 LYS 16 HZ3 LYS 16 -11.007 6.514 9.874 162 H ILE 17 H ILE 17 -9.094 8.979 4.054 163 HA ILE 17 HA ILE 17 -6.454 10.130 4.014 164 HB ILE 17 HB ILE 17 -7.683 8.148 2.094 165 HG12 ILE 17 HG12 ILE 17 -5.759 7.404 4.262 166 HG13 ILE 17 HG13 ILE 17 -7.460 7.617 4.666 167 HG21 ILE 17 HG21 ILE 17 -5.030 9.388 2.325 168 HG22 ILE 17 HG22 ILE 17 -5.832 8.669 0.930 169 HG23 ILE 17 HG23 ILE 17 -5.024 7.638 2.109 170 HD11 ILE 17 HD11 ILE 17 -7.339 6.001 2.354 171 HD12 ILE 17 HD12 ILE 17 -7.859 5.558 3.980 172 HD13 ILE 17 HD13 ILE 17 -6.169 5.371 3.514 173 H GLY 18 H GLY 18 -9.203 10.002 1.754 174 HA2 GLY 18 HA2 GLY 18 -8.067 11.488 -0.317 175 HA3 GLY 18 HA3 GLY 18 -9.790 11.363 0.004 176 H THR 19 H THR 19 -9.386 12.565 2.724 177 HA THR 19 HA THR 19 -9.691 15.300 1.887 178 HB THR 19 HB THR 19 -11.108 14.391 3.656 179 HG1 THR 19 HG1 THR 19 -11.085 16.204 4.757 180 HG21 THR 19 HG21 THR 19 -9.797 12.828 4.810 181 HG22 THR 19 HG22 THR 19 -10.101 14.134 5.952 182 HG23 THR 19 HG23 THR 19 -8.537 14.014 5.149 183 H VAL 20 H VAL 20 -7.280 13.434 3.667 184 HA VAL 20 HA VAL 20 -5.657 15.745 4.230 185 HB VAL 20 HB VAL 20 -5.670 13.827 5.763 186 HG11 VAL 20 HG11 VAL 20 -5.943 12.032 4.153 187 HG12 VAL 20 HG12 VAL 20 -4.513 11.749 5.148 188 HG13 VAL 20 HG13 VAL 20 -4.335 12.347 3.499 189 HG21 VAL 20 HG21 VAL 20 -3.322 13.754 6.196 190 HG22 VAL 20 HG22 VAL 20 -3.702 15.356 5.568 191 HG23 VAL 20 HG23 VAL 20 -2.944 14.156 4.522 192 H VAL 21 H VAL 21 -5.677 13.128 1.875 193 HA VAL 21 HA VAL 21 -3.146 13.479 0.762 194 HB VAL 21 HB VAL 21 -5.702 12.612 -0.600 195 HG11 VAL 21 HG11 VAL 21 -2.851 12.620 -1.531 196 HG12 VAL 21 HG12 VAL 21 -4.299 13.169 -2.376 197 HG13 VAL 21 HG13 VAL 21 -4.013 11.444 -2.148 198 HG21 VAL 21 HG21 VAL 21 -3.646 10.622 -0.012 199 HG22 VAL 21 HG22 VAL 21 -5.388 10.568 0.253 200 HG23 VAL 21 HG23 VAL 21 -4.343 11.370 1.424 201 H ARG 22 H ARG 22 -6.151 15.223 0.201 202 HA ARG 22 HA ARG 22 -5.602 16.586 -2.123 203 HB2 ARG 22 HB2 ARG 22 -7.413 16.868 0.078 204 HB3 ARG 22 HB3 ARG 22 -6.802 18.457 -0.358 205 HG2 ARG 22 HG2 ARG 22 -8.337 18.505 -1.953 206 HG3 ARG 22 HG3 ARG 22 -7.402 17.263 -2.789 207 HD2 ARG 22 HD2 ARG 22 -8.841 15.609 -2.226 208 HD3 ARG 22 HD3 ARG 22 -9.199 16.314 -0.649 209 HE ARG 22 HE ARG 22 -10.392 18.017 -2.386 210 HH11 ARG 22 HH11 ARG 22 -10.540 14.561 -1.927 211 HH12 ARG 22 HH12 ARG 22 -12.174 14.431 -2.487 212 HH21 ARG 22 HH21 ARG 22 -12.541 17.848 -3.122 213 HH22 ARG 22 HH22 ARG 22 -13.310 16.296 -3.165 214 H VAL 23 H VAL 23 -4.323 17.137 1.084 215 HA VAL 23 HA VAL 23 -3.074 19.643 0.408 216 HB VAL 23 HB VAL 23 -2.577 17.871 2.804 217 HG11 VAL 23 HG11 VAL 23 -1.116 20.022 1.948 218 HG12 VAL 23 HG12 VAL 23 -1.208 19.445 3.612 219 HG13 VAL 23 HG13 VAL 23 -2.252 20.762 3.075 220 HG21 VAL 23 HG21 VAL 23 -4.547 20.115 2.396 221 HG22 VAL 23 HG22 VAL 23 -4.128 19.438 3.970 222 HG23 VAL 23 HG23 VAL 23 -4.907 18.426 2.752 223 H LEU 24 H LEU 24 -2.006 16.296 0.906 224 HA LEU 24 HA LEU 24 0.532 16.993 -0.419 225 HB2 LEU 24 HB2 LEU 24 -0.009 15.475 2.056 226 HB3 LEU 24 HB3 LEU 24 1.217 14.813 0.993 227 HG LEU 24 HG LEU 24 2.086 16.308 2.806 228 HD11 LEU 24 HD11 LEU 24 2.922 17.783 0.451 229 HD12 LEU 24 HD12 LEU 24 2.887 16.042 0.174 230 HD13 LEU 24 HD13 LEU 24 3.845 16.705 1.498 231 HD21 LEU 24 HD21 LEU 24 0.107 17.923 2.499 232 HD22 LEU 24 HD22 LEU 24 1.053 18.598 1.172 233 HD23 LEU 24 HD23 LEU 24 1.703 18.605 2.811 234 HA PRO 25 HA PRO 25 -1.626 13.741 -2.928 235 HB2 PRO 25 HB2 PRO 25 -1.119 14.898 -5.329 236 HB3 PRO 25 HB3 PRO 25 -2.527 15.319 -4.345 237 HG2 PRO 25 HG2 PRO 25 0.090 16.748 -4.616 238 HG3 PRO 25 HG3 PRO 25 -1.552 17.417 -4.582 239 HD2 PRO 25 HD2 PRO 25 0.077 17.436 -2.417 240 HD3 PRO 25 HD3 PRO 25 -1.688 17.299 -2.284 241 H SER 26 H SER 26 1.497 15.061 -2.613 242 HA SER 26 HA SER 26 2.683 13.041 -4.376 243 HB2 SER 26 HB2 SER 26 3.553 15.698 -3.376 244 HB3 SER 26 HB3 SER 26 4.812 14.481 -3.570 245 HG SER 26 HG SER 26 4.590 15.577 -5.501 246 H SER 27 H SER 27 2.470 14.076 -1.028 247 HA SER 27 HA SER 27 4.546 12.417 -0.028 248 HB2 SER 27 HB2 SER 27 3.379 14.390 1.150 249 HB3 SER 27 HB3 SER 27 2.128 13.222 1.577 250 HG SER 27 HG SER 27 3.661 13.317 3.218 251 H LEU 28 H LEU 28 1.018 11.992 -0.187 252 HA LEU 28 HA LEU 28 0.914 9.473 1.010 253 HB2 LEU 28 HB2 LEU 28 -1.290 9.427 0.442 254 HB3 LEU 28 HB3 LEU 28 -0.971 11.139 0.260 255 HG LEU 28 HG LEU 28 -2.274 10.578 -1.598 256 HD11 LEU 28 HD11 LEU 28 -1.001 11.546 -3.133 257 HD12 LEU 28 HD12 LEU 28 0.110 10.178 -3.186 258 HD13 LEU 28 HD13 LEU 28 0.325 11.442 -1.976 259 HD21 LEU 28 HD21 LEU 28 -2.378 8.578 -2.616 260 HD22 LEU 28 HD22 LEU 28 -1.536 8.020 -1.171 261 HD23 LEU 28 HD23 LEU 28 -0.626 8.377 -2.640 262 H GLU 29 H GLU 29 2.110 10.367 -2.074 263 HA GLU 29 HA GLU 29 1.694 7.905 -3.427 264 HB2 GLU 29 HB2 GLU 29 2.483 10.348 -4.234 265 HB3 GLU 29 HB3 GLU 29 4.053 9.562 -4.130 266 HG2 GLU 29 HG2 GLU 29 1.893 8.117 -5.549 267 HG3 GLU 29 HG3 GLU 29 2.587 9.534 -6.336 268 H ILE 30 H ILE 30 4.355 9.224 -1.504 269 HA ILE 30 HA ILE 30 6.156 7.086 -1.939 270 HB ILE 30 HB ILE 30 6.042 8.902 0.472 271 HG12 ILE 30 HG12 ILE 30 7.855 9.405 -1.845 272 HG13 ILE 30 HG13 ILE 30 6.166 9.876 -1.996 273 HG21 ILE 30 HG21 ILE 30 8.653 8.412 0.046 274 HG22 ILE 30 HG22 ILE 30 7.957 6.897 -0.528 275 HG23 ILE 30 HG23 ILE 30 7.639 7.445 1.117 276 HD11 ILE 30 HD11 ILE 30 6.336 11.494 -0.378 277 HD12 ILE 30 HD12 ILE 30 7.932 11.569 -1.123 278 HD13 ILE 30 HD13 ILE 30 7.712 10.718 0.405 279 H PHE 31 H PHE 31 3.882 7.789 0.700 280 HA PHE 31 HA PHE 31 4.472 5.518 2.252 281 HB2 PHE 31 HB2 PHE 31 1.834 6.989 2.105 282 HB3 PHE 31 HB3 PHE 31 2.410 5.990 3.435 283 HD1 PHE 31 HD1 PHE 31 5.084 6.845 3.928 284 HD2 PHE 31 HD2 PHE 31 1.712 9.174 2.784 285 HE1 PHE 31 HE1 PHE 31 6.102 8.827 4.974 286 HE2 PHE 31 HE2 PHE 31 2.724 11.160 3.827 287 HZ PHE 31 HZ PHE 31 4.922 10.988 4.924 288 H GLU 32 H GLU 32 2.426 5.990 -0.532 289 HA GLU 32 HA GLU 32 0.783 3.739 -0.323 290 HB2 GLU 32 HB2 GLU 32 0.522 5.596 -1.979 291 HB3 GLU 32 HB3 GLU 32 1.882 4.934 -2.875 292 HG2 GLU 32 HG2 GLU 32 0.437 2.748 -2.840 293 HG3 GLU 32 HG3 GLU 32 -0.885 3.885 -2.571 294 H GLU 33 H GLU 33 4.043 4.113 -1.622 295 HA GLU 33 HA GLU 33 4.196 1.370 -2.495 296 HB2 GLU 33 HB2 GLU 33 5.910 3.764 -2.614 297 HB3 GLU 33 HB3 GLU 33 6.781 2.244 -2.472 298 HG2 GLU 33 HG2 GLU 33 6.625 2.175 -4.692 299 HG3 GLU 33 HG3 GLU 33 4.965 1.653 -4.410 300 H LEU 34 H LEU 34 4.892 3.155 0.387 301 HA LEU 34 HA LEU 34 6.769 1.382 1.544 302 HB2 LEU 34 HB2 LEU 34 5.980 3.825 2.192 303 HB3 LEU 34 HB3 LEU 34 4.889 2.945 3.246 304 HG LEU 34 HG LEU 34 7.897 2.690 3.272 305 HD11 LEU 34 HD11 LEU 34 6.191 3.955 5.388 306 HD12 LEU 34 HD12 LEU 34 6.862 4.891 4.053 307 HD13 LEU 34 HD13 LEU 34 7.938 4.052 5.171 308 HD21 LEU 34 HD21 LEU 34 5.758 1.532 5.051 309 HD22 LEU 34 HD22 LEU 34 7.486 1.488 5.398 310 HD23 LEU 34 HD23 LEU 34 6.847 0.646 3.986 311 H TYR 35 H TYR 35 3.247 1.714 1.981 312 HA TYR 35 HA TYR 35 2.990 -0.430 3.785 313 HB2 TYR 35 HB2 TYR 35 0.720 -0.053 3.694 314 HB3 TYR 35 HB3 TYR 35 1.311 1.485 3.085 315 HD1 TYR 35 HD1 TYR 35 -0.061 -1.798 2.023 316 HD2 TYR 35 HD2 TYR 35 0.689 2.250 0.953 317 HE1 TYR 35 HE1 TYR 35 -1.418 -2.091 -0.007 318 HE2 TYR 35 HE2 TYR 35 -0.667 1.970 -1.081 319 HH TYR 35 HH TYR 35 -2.388 0.561 -1.969 320 H LYS 36 H LYS 36 3.040 -0.285 0.291 321 HA LYS 36 HA LYS 36 2.091 -2.928 -0.161 322 HB2 LYS 36 HB2 LYS 36 3.410 -0.818 -1.798 323 HB3 LYS 36 HB3 LYS 36 3.456 -2.468 -2.404 324 HG2 LYS 36 HG2 LYS 36 1.206 -2.546 -2.776 325 HG3 LYS 36 HG3 LYS 36 0.845 -1.373 -1.507 326 HD2 LYS 36 HD2 LYS 36 1.299 0.432 -2.862 327 HD3 LYS 36 HD3 LYS 36 2.380 -0.491 -3.907 328 HE2 LYS 36 HE2 LYS 36 -0.577 -1.016 -3.788 329 HE3 LYS 36 HE3 LYS 36 0.123 0.183 -4.876 330 HZ1 LYS 36 HZ1 LYS 36 1.115 -2.597 -4.848 331 HZ2 LYS 36 HZ2 LYS 36 1.234 -1.440 -6.078 332 HZ3 LYS 36 HZ3 LYS 36 -0.253 -2.176 -5.750 333 H TYR 37 H TYR 37 5.231 -1.526 0.465 334 HA TYR 37 HA TYR 37 6.862 -3.644 -0.365 335 HB2 TYR 37 HB2 TYR 37 7.807 -1.480 0.178 336 HB3 TYR 37 HB3 TYR 37 7.264 -1.619 1.846 337 HD1 TYR 37 HD1 TYR 37 8.408 -3.129 3.403 338 HD2 TYR 37 HD2 TYR 37 9.785 -2.625 -0.591 339 HE1 TYR 37 HE1 TYR 37 10.552 -4.160 4.019 340 HE2 TYR 37 HE2 TYR 37 11.935 -3.655 0.014 341 HH TYR 37 HH TYR 37 12.420 -5.275 3.002 342 H ALA 38 H ALA 38 5.466 -2.957 2.834 343 HA ALA 38 HA ALA 38 6.492 -5.316 4.046 344 HB1 ALA 38 HB1 ALA 38 4.527 -4.711 5.714 345 HB2 ALA 38 HB2 ALA 38 4.564 -3.192 4.818 346 HB3 ALA 38 HB3 ALA 38 6.013 -3.764 5.646 347 H LEU 39 H LEU 39 3.607 -4.573 2.236 348 HA LEU 39 HA LEU 39 1.963 -6.688 3.034 349 HB2 LEU 39 HB2 LEU 39 1.920 -4.661 1.074 350 HB3 LEU 39 HB3 LEU 39 1.662 -6.170 0.222 351 HG LEU 39 HG LEU 39 0.047 -5.502 2.660 352 HD11 LEU 39 HD11 LEU 39 -1.648 -4.507 1.237 353 HD12 LEU 39 HD12 LEU 39 -0.601 -4.691 -0.171 354 HD13 LEU 39 HD13 LEU 39 -0.141 -3.593 1.132 355 HD21 LEU 39 HD21 LEU 39 -1.610 -6.918 1.410 356 HD22 LEU 39 HD22 LEU 39 -0.155 -7.759 1.947 357 HD23 LEU 39 HD23 LEU 39 -0.324 -7.278 0.258 358 H ASN 40 H ASN 40 4.282 -6.513 0.342 359 HA ASN 40 HA ASN 40 3.903 -9.217 -0.456 360 HB2 ASN 40 HB2 ASN 40 5.563 -6.953 -1.262 361 HB3 ASN 40 HB3 ASN 40 6.412 -8.491 -1.385 362 HD21 ASN 40 HD21 ASN 40 5.959 -9.820 -3.028 363 HD22 ASN 40 HD22 ASN 40 4.735 -9.542 -4.214 364 H GLU 41 H GLU 41 5.954 -7.627 1.866 365 HA GLU 41 HA GLU 41 7.959 -9.530 2.192 366 HB2 GLU 41 HB2 GLU 41 7.944 -7.277 3.236 367 HB3 GLU 41 HB3 GLU 41 6.700 -7.827 4.350 368 HG2 GLU 41 HG2 GLU 41 8.185 -8.801 5.684 369 HG3 GLU 41 HG3 GLU 41 9.013 -9.574 4.334 370 H ASN 42 H ASN 42 4.633 -9.573 3.200 371 HA ASN 42 HA ASN 42 4.731 -11.449 5.260 372 HB2 ASN 42 HB2 ASN 42 2.727 -10.155 3.738 373 HB3 ASN 42 HB3 ASN 42 2.386 -11.881 3.655 374 HD21 ASN 42 HD21 ASN 42 1.990 -9.100 5.430 375 HD22 ASN 42 HD22 ASN 42 1.497 -9.803 6.929 376 H SER 43 H SER 43 4.909 -11.856 1.794 377 HA SER 43 HA SER 43 5.429 -14.716 2.213 378 HB2 SER 43 HB2 SER 43 4.190 -15.253 0.146 379 HB3 SER 43 HB3 SER 43 3.140 -14.524 1.361 380 HG SER 43 HG SER 43 3.168 -13.736 -0.986 381 H ASN 44 H ASN 44 7.337 -15.287 1.420 382 HA ASN 44 HA ASN 44 8.390 -13.857 -0.921 383 HB2 ASN 44 HB2 ASN 44 9.357 -13.322 1.532 384 HB3 ASN 44 HB3 ASN 44 10.356 -14.715 1.129 385 HD21 ASN 44 HD21 ASN 44 12.267 -13.990 0.537 386 HD22 ASN 44 HD22 ASN 44 12.563 -12.705 -0.580 387 H ASP 45 H ASP 45 8.601 -15.302 -2.490 388 HA ASP 45 HA ASP 45 8.624 -18.083 -2.138 389 HB2 ASP 45 HB2 ASP 45 9.546 -16.422 -4.492 390 HB3 ASP 45 HB3 ASP 45 9.308 -18.167 -4.533 391 H ARG 46 H ARG 46 10.523 -19.342 -3.397 392 HA ARG 46 HA ARG 46 12.971 -18.663 -1.915 393 HB2 ARG 46 HB2 ARG 46 11.547 -21.026 -1.993 394 HB3 ARG 46 HB3 ARG 46 12.859 -21.326 -3.125 395 HG2 ARG 46 HG2 ARG 46 14.491 -21.075 -1.489 396 HG3 ARG 46 HG3 ARG 46 13.403 -20.213 -0.400 397 HD2 ARG 46 HD2 ARG 46 12.099 -22.567 -0.647 398 HD3 ARG 46 HD3 ARG 46 13.769 -23.105 -0.825 399 HE ARG 46 HE ARG 46 13.366 -21.361 1.419 400 HH11 ARG 46 HH11 ARG 46 13.198 -24.665 0.312 401 HH12 ARG 46 HH12 ARG 46 13.390 -25.338 1.896 402 HH21 ARG 46 HH21 ARG 46 13.615 -22.243 3.504 403 HH22 ARG 46 HH22 ARG 46 13.625 -23.962 3.709 404 H SER 47 H SER 47 14.468 -17.688 -3.096 405 HA SER 47 HA SER 47 14.749 -18.456 -5.926 406 HB2 SER 47 HB2 SER 47 15.173 -15.822 -4.528 407 HB3 SER 47 HB3 SER 47 15.909 -16.157 -6.095 408 HG SER 47 HG SER 47 13.514 -15.263 -5.688 409 H GLU 48 H GLU 48 16.737 -17.015 -3.333 410 HA GLU 48 HA GLU 48 18.758 -19.061 -3.735 411 HB2 GLU 48 HB2 GLU 48 19.019 -16.311 -4.720 412 HB3 GLU 48 HB3 GLU 48 20.357 -16.822 -3.698 413 HG2 GLU 48 HG2 GLU 48 19.762 -18.913 -5.537 414 HG3 GLU 48 HG3 GLU 48 19.904 -17.396 -6.424 415 H HIS 49 H HIS 49 17.860 -19.476 -1.568 416 HA HIS 49 HA HIS 49 18.055 -19.492 0.697 417 HB2 HIS 49 HB2 HIS 49 20.532 -17.917 -0.003 418 HB3 HIS 49 HB3 HIS 49 20.127 -18.362 1.651 419 HD1 HIS 49 HD1 HIS 49 22.568 -19.375 -0.285 420 HD2 HIS 49 HD2 HIS 49 19.223 -21.494 0.974 421 HE1 HIS 49 HE1 HIS 49 23.209 -21.801 -0.451 422 HE2 HIS 49 HE2 HIS 49 21.202 -23.062 0.405 423 H HIS 50 H HIS 50 16.725 -18.471 2.026 424 HA HIS 50 HA HIS 50 16.235 -15.619 1.646 425 HB2 HIS 50 HB2 HIS 50 14.327 -17.219 1.756 426 HB3 HIS 50 HB3 HIS 50 14.773 -17.586 3.419 427 HD1 HIS 50 HD1 HIS 50 12.212 -15.939 1.959 428 HD2 HIS 50 HD2 HIS 50 15.100 -14.614 4.637 429 HE1 HIS 50 HE1 HIS 50 11.220 -13.910 3.068 430 HE2 HIS 50 HE2 HIS 50 13.022 -13.075 4.620 431 H LYS 51 H LYS 51 17.252 -14.176 2.855 432 HA LYS 51 HA LYS 51 18.344 -15.010 5.450 433 HB2 LYS 51 HB2 LYS 51 19.732 -13.920 3.500 434 HB3 LYS 51 HB3 LYS 51 19.063 -12.422 4.133 435 HG2 LYS 51 HG2 LYS 51 21.263 -12.870 5.061 436 HG3 LYS 51 HG3 LYS 51 20.024 -12.902 6.318 437 HD2 LYS 51 HD2 LYS 51 20.323 -15.529 5.227 438 HD3 LYS 51 HD3 LYS 51 21.912 -14.903 5.671 439 HE2 LYS 51 HE2 LYS 51 21.024 -14.342 7.908 440 HE3 LYS 51 HE3 LYS 51 19.482 -15.068 7.451 441 HZ1 LYS 51 HZ1 LYS 51 21.997 -16.344 8.156 442 HZ2 LYS 51 HZ2 LYS 51 21.135 -17.064 6.890 443 HZ3 LYS 51 HZ3 LYS 51 20.407 -16.868 8.404 444 H LYS 52 H LYS 52 17.781 -14.022 7.319 445 HA LYS 52 HA LYS 52 16.672 -11.501 7.645 446 HB2 LYS 52 HB2 LYS 52 14.804 -13.050 6.400 447 HB3 LYS 52 HB3 LYS 52 14.388 -13.308 8.087 448 HG2 LYS 52 HG2 LYS 52 13.110 -11.477 7.130 449 HG3 LYS 52 HG3 LYS 52 14.170 -10.909 8.420 450 HD2 LYS 52 HD2 LYS 52 15.719 -10.673 6.138 451 HD3 LYS 52 HD3 LYS 52 14.110 -10.189 5.605 452 HE2 LYS 52 HE2 LYS 52 14.802 -8.177 6.383 453 HE3 LYS 52 HE3 LYS 52 14.216 -8.839 7.909 454 HZ1 LYS 52 HZ1 LYS 52 16.362 -9.299 8.622 455 HZ2 LYS 52 HZ2 LYS 52 16.530 -7.797 7.858 456 HZ3 LYS 52 HZ3 LYS 52 17.022 -9.209 7.067 457 HA PRO 53 HA PRO 53 15.839 -14.047 11.676 458 HB2 PRO 53 HB2 PRO 53 16.460 -16.701 11.611 459 HB3 PRO 53 HB3 PRO 53 14.845 -16.073 11.263 460 HG2 PRO 53 HG2 PRO 53 17.009 -16.893 9.364 461 HG3 PRO 53 HG3 PRO 53 15.268 -17.229 9.290 462 HD2 PRO 53 HD2 PRO 53 16.408 -15.291 7.813 463 HD3 PRO 53 HD3 PRO 53 14.769 -15.128 8.471 464 H ARG 54 H ARG 54 17.571 -12.995 12.539 465 HA ARG 54 HA ARG 54 20.274 -13.843 11.990 466 HB2 ARG 54 HB2 ARG 54 18.992 -11.518 13.082 467 HB3 ARG 54 HB3 ARG 54 20.235 -12.071 14.196 468 HG2 ARG 54 HG2 ARG 54 21.125 -12.049 11.425 469 HG3 ARG 54 HG3 ARG 54 20.623 -10.460 12.008 470 HD2 ARG 54 HD2 ARG 54 22.519 -10.249 13.142 471 HD3 ARG 54 HD3 ARG 54 22.180 -11.733 14.032 472 HE ARG 54 HE ARG 54 23.227 -12.244 11.422 473 HH11 ARG 54 HH11 ARG 54 24.108 -11.398 14.692 474 HH12 ARG 54 HH12 ARG 54 25.705 -12.054 14.565 475 HH21 ARG 54 HH21 ARG 54 25.327 -13.106 11.252 476 HH22 ARG 54 HH22 ARG 54 26.399 -13.023 12.610 477 H ILE 55 H ILE 55 21.734 -14.715 13.488 478 HA ILE 55 HA ILE 55 20.537 -15.846 15.929 479 HB ILE 55 HB ILE 55 22.525 -17.327 14.213 480 HG12 ILE 55 HG12 ILE 55 20.205 -18.751 14.009 481 HG13 ILE 55 HG13 ILE 55 19.593 -17.100 14.002 482 HG21 ILE 55 HG21 ILE 55 21.968 -17.687 16.820 483 HG22 ILE 55 HG22 ILE 55 22.442 -18.992 15.734 484 HG23 ILE 55 HG23 ILE 55 20.737 -18.722 16.096 485 HD11 ILE 55 HD11 ILE 55 20.433 -18.458 11.815 486 HD12 ILE 55 HD12 ILE 55 21.882 -17.546 12.237 487 HD13 ILE 55 HD13 ILE 55 20.363 -16.701 11.944 488 H ASP 56 H ASP 56 21.803 -15.843 17.734 489 HA ASP 56 HA ASP 56 23.976 -14.041 17.843 490 HB2 ASP 56 HB2 ASP 56 22.754 -15.977 19.781 491 HB3 ASP 56 HB3 ASP 56 24.266 -15.169 20.183 492 H ASP 57 H ASP 57 23.980 -17.536 18.567 493 HA ASP 57 HA ASP 57 26.842 -17.625 18.042 494 HB2 ASP 57 HB2 ASP 57 24.873 -19.389 19.401 495 HB3 ASP 57 HB3 ASP 57 26.268 -20.170 18.662 496 H SER 58 H SER 58 27.812 -18.872 16.457 497 HA SER 58 HA SER 58 26.014 -20.003 14.418 498 HB2 SER 58 HB2 SER 58 27.401 -17.723 14.005 499 HB3 SER 58 HB3 SER 58 28.610 -18.904 13.499 500 HG SER 58 HG SER 58 26.123 -18.300 12.382 501 H SER 59 H SER 59 27.307 -21.450 12.857 502 HA SER 59 HA SER 59 29.534 -22.829 14.124 503 HB2 SER 59 HB2 SER 59 27.144 -24.445 13.251 504 HB3 SER 59 HB3 SER 59 28.520 -24.964 14.223 505 HG SER 59 HG SER 59 26.200 -23.745 14.990 506 H ASP 60 H ASP 60 27.245 -22.822 11.407 507 HA ASP 60 HA ASP 60 29.457 -22.920 9.540 508 HB2 ASP 60 HB2 ASP 60 28.607 -24.878 8.327 509 HB3 ASP 60 HB3 ASP 60 29.051 -25.299 9.978 510 H LEU 61 H LEU 61 28.261 -23.275 7.195 511 HA LEU 61 HA LEU 61 26.373 -21.042 7.083 512 HB2 LEU 61 HB2 LEU 61 26.850 -21.149 4.613 513 HB3 LEU 61 HB3 LEU 61 28.212 -20.726 5.633 514 HG LEU 61 HG LEU 61 27.900 -23.595 4.938 515 HD11 LEU 61 HD11 LEU 61 29.242 -23.051 2.811 516 HD12 LEU 61 HD12 LEU 61 28.543 -21.438 2.962 517 HD13 LEU 61 HD13 LEU 61 27.491 -22.842 2.778 518 HD21 LEU 61 HD21 LEU 61 30.439 -22.121 4.645 519 HD22 LEU 61 HD22 LEU 61 30.110 -23.685 5.395 520 HD23 LEU 61 HD23 LEU 61 29.766 -22.195 6.274 521 H LEU 62 H LEU 62 25.364 -23.482 8.051 522 HA LEU 62 HA LEU 62 23.593 -24.887 7.807 523 HB2 LEU 62 HB2 LEU 62 23.022 -22.652 5.965 524 HB3 LEU 62 HB3 LEU 62 22.117 -24.123 5.667 525 HG LEU 62 HG LEU 62 21.707 -23.913 8.309 526 HD11 LEU 62 HD11 LEU 62 22.487 -21.209 7.362 527 HD12 LEU 62 HD12 LEU 62 22.717 -21.970 8.936 528 HD13 LEU 62 HD13 LEU 62 21.132 -21.340 8.484 529 HD21 LEU 62 HD21 LEU 62 19.561 -23.528 7.729 530 HD22 LEU 62 HD22 LEU 62 20.181 -23.775 6.096 531 HD23 LEU 62 HD23 LEU 62 19.968 -22.139 6.720 532 H LYS 63 H LYS 63 22.305 -26.105 5.842 533 HA LYS 63 HA LYS 63 24.207 -27.903 4.787 534 HB2 LYS 63 HB2 LYS 63 21.272 -27.536 4.600 535 HB3 LYS 63 HB3 LYS 63 22.025 -28.464 3.309 536 HG2 LYS 63 HG2 LYS 63 22.843 -29.209 6.032 537 HG3 LYS 63 HG3 LYS 63 21.151 -29.517 5.632 538 HD2 LYS 63 HD2 LYS 63 22.377 -31.481 5.072 539 HD3 LYS 63 HD3 LYS 63 21.955 -30.682 3.558 540 HE2 LYS 63 HE2 LYS 63 24.532 -29.875 4.719 541 HE3 LYS 63 HE3 LYS 63 24.443 -31.556 4.198 542 HZ1 LYS 63 HZ1 LYS 63 23.432 -29.520 2.363 543 HZ2 LYS 63 HZ2 LYS 63 24.234 -30.972 2.030 544 HZ3 LYS 63 HZ3 LYS 63 25.110 -29.623 2.558 545 H THR 64 H THR 64 25.554 -27.533 3.165 546 HA THR 64 HA THR 64 24.600 -26.520 0.650 547 HB THR 64 HB THR 64 26.705 -24.821 0.839 548 HG1 THR 64 HG1 THR 64 26.792 -25.404 3.148 549 HG21 THR 64 HG21 THR 64 25.115 -23.408 0.261 550 HG22 THR 64 HG22 THR 64 24.534 -23.381 1.926 551 HG23 THR 64 HG23 THR 64 23.884 -24.558 0.785 552 H ASP 65 H ASP 65 25.321 -28.421 -0.252 553 HA ASP 65 HA ASP 65 28.179 -29.039 -0.012 554 HB2 ASP 65 HB2 ASP 65 25.757 -30.661 -0.691 555 HB3 ASP 65 HB3 ASP 65 27.331 -31.180 -1.287 556 H GLU 66 H GLU 66 25.632 -28.928 -2.507 557 HA GLU 66 HA GLU 66 27.646 -27.927 -4.396 558 HB2 GLU 66 HB2 GLU 66 25.786 -30.255 -4.753 559 HB3 GLU 66 HB3 GLU 66 26.327 -29.329 -6.145 560 HG2 GLU 66 HG2 GLU 66 28.467 -30.166 -4.328 561 HG3 GLU 66 HG3 GLU 66 27.606 -31.486 -5.119 562 H ILE 67 H ILE 67 26.262 -27.410 -6.575 563 HA ILE 67 HA ILE 67 23.893 -25.880 -5.738 564 HB ILE 67 HB ILE 67 24.539 -24.044 -7.221 565 HG12 ILE 67 HG12 ILE 67 25.969 -25.501 -8.722 566 HG13 ILE 67 HG13 ILE 67 26.649 -23.927 -8.321 567 HG21 ILE 67 HG21 ILE 67 26.103 -24.839 -4.864 568 HG22 ILE 67 HG22 ILE 67 25.199 -23.359 -5.187 569 HG23 ILE 67 HG23 ILE 67 26.819 -23.567 -5.853 570 HD11 ILE 67 HD11 ILE 67 27.783 -26.496 -7.962 571 HD12 ILE 67 HD12 ILE 67 27.547 -25.770 -6.372 572 HD13 ILE 67 HD13 ILE 67 28.483 -24.919 -7.601 573 H1 GLY 68 H1 GLY 68 21.451 17.820 12.294 574 H2 GLY 68 H2 GLY 68 20.555 18.672 13.448 575 H3 GLY 68 H3 GLY 68 20.368 16.997 13.301 576 HA2 GLY 68 HA2 GLY 68 23.074 17.890 13.820 577 HA3 GLY 68 HA3 GLY 68 21.931 18.173 15.123 578 H HIS 69 H HIS 69 21.738 15.504 12.849 579 HA HIS 69 HA HIS 69 21.837 13.248 13.124 580 HB2 HIS 69 HB2 HIS 69 23.939 14.235 14.995 581 HB3 HIS 69 HB3 HIS 69 23.462 12.546 15.107 582 HD1 HIS 69 HD1 HIS 69 26.115 14.204 13.810 583 HD2 HIS 69 HD2 HIS 69 23.321 11.715 12.003 584 HE1 HIS 69 HE1 HIS 69 27.225 13.353 11.720 585 HE2 HIS 69 HE2 HIS 69 25.547 11.783 10.687 586 H MET 70 H MET 70 20.074 12.252 13.820 587 HA MET 70 HA MET 70 18.956 12.883 16.426 588 HB2 MET 70 HB2 MET 70 17.912 11.019 14.285 589 HB3 MET 70 HB3 MET 70 17.029 11.578 15.699 590 HG2 MET 70 HG2 MET 70 17.411 13.932 14.777 591 HG3 MET 70 HG3 MET 70 17.852 13.127 13.273 592 HE1 MET 70 HE1 MET 70 15.623 14.975 12.583 593 HE2 MET 70 HE2 MET 70 14.486 13.854 11.833 594 HE3 MET 70 HE3 MET 70 16.219 13.643 11.595 595 H MET 71 H MET 71 18.428 11.291 17.997 596 HA MET 71 HA MET 71 20.450 9.242 18.231 597 HB2 MET 71 HB2 MET 71 18.175 9.961 20.090 598 HB3 MET 71 HB3 MET 71 19.503 8.872 20.469 599 HG2 MET 71 HG2 MET 71 21.034 10.580 20.640 600 HG3 MET 71 HG3 MET 71 20.090 11.672 19.629 601 HE1 MET 71 HE1 MET 71 20.770 13.438 21.164 602 HE2 MET 71 HE2 MET 71 19.858 13.891 22.603 603 HE3 MET 71 HE3 MET 71 19.070 13.887 21.025 604 H SER 72 H SER 72 19.923 7.748 16.623 605 HA SER 72 HA SER 72 18.955 5.881 15.759 606 HB2 SER 72 HB2 SER 72 17.559 5.711 18.439 607 HB3 SER 72 HB3 SER 72 17.759 4.396 17.281 608 HG SER 72 HG SER 72 20.042 4.635 17.581 609 H LYS 73 H LYS 73 16.969 5.033 14.867 610 HA LYS 73 HA LYS 73 14.574 6.651 15.194 611 HB2 LYS 73 HB2 LYS 73 16.327 6.736 12.821 612 HB3 LYS 73 HB3 LYS 73 14.615 6.533 12.478 613 HG2 LYS 73 HG2 LYS 73 14.196 8.669 12.899 614 HG3 LYS 73 HG3 LYS 73 15.035 8.595 14.449 615 HD2 LYS 73 HD2 LYS 73 16.149 10.224 13.111 616 HD3 LYS 73 HD3 LYS 73 17.191 8.802 13.187 617 HE2 LYS 73 HE2 LYS 73 17.205 9.534 10.931 618 HE3 LYS 73 HE3 LYS 73 16.192 8.091 10.989 619 HZ1 LYS 73 HZ1 LYS 73 14.346 9.934 11.353 620 HZ2 LYS 73 HZ2 LYS 73 14.830 9.436 9.810 621 HZ3 LYS 73 HZ3 LYS 73 15.450 10.864 10.473 622 H LEU 74 H LEU 74 12.682 5.693 14.196 623 HA LEU 74 HA LEU 74 13.008 2.826 13.604 624 HB2 LEU 74 HB2 LEU 74 10.903 2.394 14.782 625 HB3 LEU 74 HB3 LEU 74 12.127 3.057 15.848 626 HG LEU 74 HG LEU 74 10.193 4.951 14.609 627 HD11 LEU 74 HD11 LEU 74 9.535 3.002 16.800 628 HD12 LEU 74 HD12 LEU 74 8.653 3.300 15.302 629 HD13 LEU 74 HD13 LEU 74 8.671 4.522 16.573 630 HD21 LEU 74 HD21 LEU 74 10.818 6.322 16.290 631 HD22 LEU 74 HD22 LEU 74 12.237 5.275 16.322 632 HD23 LEU 74 HD23 LEU 74 10.921 5.010 17.466 633 H PHE 75 H PHE 75 11.525 1.913 12.140 634 HA PHE 75 HA PHE 75 10.303 1.872 10.221 635 HB2 PHE 75 HB2 PHE 75 8.539 2.605 11.830 636 HB3 PHE 75 HB3 PHE 75 8.902 4.274 11.410 637 HD1 PHE 75 HD1 PHE 75 8.358 1.134 9.463 638 HD2 PHE 75 HD2 PHE 75 7.282 5.205 10.087 639 HE1 PHE 75 HE1 PHE 75 6.772 0.999 7.588 640 HE2 PHE 75 HE2 PHE 75 5.695 5.076 8.214 641 HZ PHE 75 HZ PHE 75 5.438 2.972 6.960 642 H LEU 76 H LEU 76 12.744 3.520 10.347 643 HA LEU 76 HA LEU 76 12.319 4.968 7.865 644 HB2 LEU 76 HB2 LEU 76 13.075 6.255 10.453 645 HB3 LEU 76 HB3 LEU 76 13.770 6.871 8.967 646 HG LEU 76 HG LEU 76 10.865 6.546 8.827 647 HD11 LEU 76 HD11 LEU 76 11.673 8.865 10.482 648 HD12 LEU 76 HD12 LEU 76 11.562 7.297 11.282 649 HD13 LEU 76 HD13 LEU 76 10.157 7.963 10.449 650 HD21 LEU 76 HD21 LEU 76 11.033 8.305 7.436 651 HD22 LEU 76 HD22 LEU 76 12.750 7.902 7.443 652 HD23 LEU 76 HD23 LEU 76 12.139 9.176 8.499 653 H ASP 77 H ASP 77 14.626 4.100 10.420 654 HA ASP 77 HA ASP 77 16.885 4.228 8.653 655 HB2 ASP 77 HB2 ASP 77 16.419 3.801 11.503 656 HB3 ASP 77 HB3 ASP 77 17.690 2.763 10.864 657 H GLU 78 H GLU 78 14.794 1.704 9.936 658 HA GLU 78 HA GLU 78 16.354 -0.475 8.969 659 HB2 GLU 78 HB2 GLU 78 13.419 -0.389 9.693 660 HB3 GLU 78 HB3 GLU 78 14.382 -1.844 9.479 661 HG2 GLU 78 HG2 GLU 78 15.710 -0.202 11.365 662 HG3 GLU 78 HG3 GLU 78 14.008 -0.281 11.816 663 H LEU 79 H LEU 79 13.117 0.602 7.916 664 HA LEU 79 HA LEU 79 12.998 -0.817 5.553 665 HB2 LEU 79 HB2 LEU 79 11.182 0.525 4.964 666 HB3 LEU 79 HB3 LEU 79 11.200 0.585 6.713 667 HG LEU 79 HG LEU 79 12.665 2.780 6.196 668 HD11 LEU 79 HD11 LEU 79 11.353 3.944 4.321 669 HD12 LEU 79 HD12 LEU 79 10.941 2.314 3.791 670 HD13 LEU 79 HD13 LEU 79 12.630 2.815 3.867 671 HD21 LEU 79 HD21 LEU 79 9.657 2.787 6.089 672 HD22 LEU 79 HD22 LEU 79 10.720 4.054 6.703 673 HD23 LEU 79 HD23 LEU 79 10.582 2.523 7.568 674 HA PRO 80 HA PRO 80 15.496 0.844 2.319 675 HB2 PRO 80 HB2 PRO 80 13.111 2.248 1.178 676 HB3 PRO 80 HB3 PRO 80 14.320 1.244 0.366 677 HG2 PRO 80 HG2 PRO 80 11.924 0.252 0.932 678 HG3 PRO 80 HG3 PRO 80 13.381 -0.740 1.132 679 HD2 PRO 80 HD2 PRO 80 11.682 0.568 3.195 680 HD3 PRO 80 HD3 PRO 80 12.593 -0.952 3.282 681 H GLU 81 H GLU 81 16.668 2.252 3.664 682 HA GLU 81 HA GLU 81 15.906 4.752 4.569 683 HB2 GLU 81 HB2 GLU 81 18.270 5.239 4.823 684 HB3 GLU 81 HB3 GLU 81 17.948 3.573 5.285 685 HG2 GLU 81 HG2 GLU 81 19.017 2.711 3.430 686 HG3 GLU 81 HG3 GLU 81 18.849 4.206 2.511 687 H SER 82 H SER 82 16.808 3.770 1.371 688 HA SER 82 HA SER 82 17.647 6.183 0.267 689 HB2 SER 82 HB2 SER 82 16.422 5.120 -1.853 690 HB3 SER 82 HB3 SER 82 17.935 4.468 -1.230 691 HG SER 82 HG SER 82 15.319 3.528 -0.653 692 H LEU 83 H LEU 83 14.369 4.888 0.645 693 HA LEU 83 HA LEU 83 13.152 7.211 -0.545 694 HB2 LEU 83 HB2 LEU 83 11.841 5.015 1.054 695 HB3 LEU 83 HB3 LEU 83 11.045 6.152 -0.017 696 HG LEU 83 HG LEU 83 13.118 4.250 -1.065 697 HD11 LEU 83 HD11 LEU 83 10.977 2.927 -1.762 698 HD12 LEU 83 HD12 LEU 83 10.281 3.692 -0.333 699 HD13 LEU 83 HD13 LEU 83 11.707 2.667 -0.177 700 HD21 LEU 83 HD21 LEU 83 11.920 4.579 -3.152 701 HD22 LEU 83 HD22 LEU 83 12.413 6.131 -2.474 702 HD23 LEU 83 HD23 LEU 83 10.737 5.598 -2.334 703 H SER 84 H SER 84 13.582 5.919 2.718 704 HA SER 84 HA SER 84 12.014 7.628 4.189 705 HB2 SER 84 HB2 SER 84 14.605 6.242 4.760 706 HB3 SER 84 HB3 SER 84 13.950 7.373 5.945 707 HG SER 84 HG SER 84 12.958 4.904 5.092 708 H ARG 85 H ARG 85 15.013 8.323 2.568 709 HA ARG 85 HA ARG 85 15.796 10.632 3.935 710 HB2 ARG 85 HB2 ARG 85 16.138 9.929 1.015 711 HB3 ARG 85 HB3 ARG 85 16.983 11.232 1.836 712 HG2 ARG 85 HG2 ARG 85 17.573 9.140 3.453 713 HG3 ARG 85 HG3 ARG 85 17.464 8.341 1.884 714 HD2 ARG 85 HD2 ARG 85 18.931 10.839 1.738 715 HD3 ARG 85 HD3 ARG 85 19.648 9.719 2.895 716 HE ARG 85 HE ARG 85 19.767 9.527 0.084 717 HH11 ARG 85 HH11 ARG 85 19.337 7.537 2.918 718 HH12 ARG 85 HH12 ARG 85 20.005 6.121 2.179 719 HH21 ARG 85 HH21 ARG 85 20.648 7.665 -0.890 720 HH22 ARG 85 HH22 ARG 85 20.751 6.194 0.019 721 H LYS 86 H LYS 86 13.613 10.231 1.168 722 HA LYS 86 HA LYS 86 13.062 13.053 1.007 723 HB2 LYS 86 HB2 LYS 86 11.580 10.774 -0.314 724 HB3 LYS 86 HB3 LYS 86 11.535 12.471 -0.774 725 HG2 LYS 86 HG2 LYS 86 13.332 12.252 -2.055 726 HG3 LYS 86 HG3 LYS 86 14.243 11.473 -0.760 727 HD2 LYS 86 HD2 LYS 86 14.191 9.715 -2.185 728 HD3 LYS 86 HD3 LYS 86 12.613 9.451 -1.438 729 HE2 LYS 86 HE2 LYS 86 13.066 11.034 -3.964 730 HE3 LYS 86 HE3 LYS 86 12.587 9.338 -3.923 731 HZ1 LYS 86 HZ1 LYS 86 10.538 10.230 -4.013 732 HZ2 LYS 86 HZ2 LYS 86 11.021 11.721 -3.375 733 HZ3 LYS 86 HZ3 LYS 86 10.738 10.411 -2.343 734 H ILE 87 H ILE 87 11.621 10.253 2.517 735 HA ILE 87 HA ILE 87 9.046 11.291 2.983 736 HB ILE 87 HB ILE 87 10.573 9.325 4.698 737 HG12 ILE 87 HG12 ILE 87 8.623 8.745 2.462 738 HG13 ILE 87 HG13 ILE 87 10.372 8.719 2.260 739 HG21 ILE 87 HG21 ILE 87 7.740 10.237 4.629 740 HG22 ILE 87 HG22 ILE 87 8.767 9.843 6.007 741 HG23 ILE 87 HG23 ILE 87 8.079 8.552 5.020 742 HD11 ILE 87 HD11 ILE 87 9.455 7.101 4.498 743 HD12 ILE 87 HD12 ILE 87 10.548 6.698 3.173 744 HD13 ILE 87 HD13 ILE 87 8.803 6.587 2.942 745 H GLY 88 H GLY 88 11.944 11.253 5.054 746 HA2 GLY 88 HA2 GLY 88 10.963 12.466 7.312 747 HA3 GLY 88 HA3 GLY 88 12.606 12.679 6.730 748 H THR 89 H THR 89 12.263 14.144 4.448 749 HA THR 89 HA THR 89 11.925 16.740 5.462 750 HB THR 89 HB THR 89 13.340 16.185 3.510 751 HG1 THR 89 HG1 THR 89 11.328 18.063 2.844 752 HG21 THR 89 HG21 THR 89 12.316 14.763 2.071 753 HG22 THR 89 HG22 THR 89 11.959 16.296 1.278 754 HG23 THR 89 HG23 THR 89 10.733 15.512 2.272 755 H VAL 90 H VAL 90 9.708 14.563 3.848 756 HA VAL 90 HA VAL 90 7.692 16.581 3.436 757 HB VAL 90 HB VAL 90 7.356 13.583 3.303 758 HG11 VAL 90 HG11 VAL 90 5.228 14.577 3.364 759 HG12 VAL 90 HG12 VAL 90 5.547 14.294 1.652 760 HG13 VAL 90 HG13 VAL 90 5.728 15.913 2.329 761 HG21 VAL 90 HG21 VAL 90 8.893 15.309 1.621 762 HG22 VAL 90 HG22 VAL 90 7.505 14.707 0.716 763 HG23 VAL 90 HG23 VAL 90 8.619 13.573 1.475 764 H VAL 91 H VAL 91 8.282 13.964 5.736 765 HA VAL 91 HA VAL 91 5.881 13.926 7.101 766 HB VAL 91 HB VAL 91 8.580 13.678 8.430 767 HG11 VAL 91 HG11 VAL 91 7.134 11.887 9.690 768 HG12 VAL 91 HG12 VAL 91 5.796 12.895 9.142 769 HG13 VAL 91 HG13 VAL 91 7.066 13.588 10.149 770 HG21 VAL 91 HG21 VAL 91 8.999 11.959 7.080 771 HG22 VAL 91 HG22 VAL 91 7.399 12.069 6.346 772 HG23 VAL 91 HG23 VAL 91 7.631 11.126 7.818 773 H ARG 92 H ARG 92 8.487 16.255 7.282 774 HA ARG 92 HA ARG 92 7.872 17.524 9.681 775 HB2 ARG 92 HB2 ARG 92 9.721 17.902 7.706 776 HB3 ARG 92 HB3 ARG 92 8.697 19.317 7.497 777 HG2 ARG 92 HG2 ARG 92 9.307 20.228 9.486 778 HG3 ARG 92 HG3 ARG 92 9.577 18.660 10.249 779 HD2 ARG 92 HD2 ARG 92 11.727 18.551 9.566 780 HD3 ARG 92 HD3 ARG 92 11.386 19.331 8.022 781 HE ARG 92 HE ARG 92 11.230 21.106 10.280 782 HH11 ARG 92 HH11 ARG 92 13.348 19.671 7.906 783 HH12 ARG 92 HH12 ARG 92 14.523 20.939 8.004 784 HH21 ARG 92 HH21 ARG 92 12.775 22.776 10.410 785 HH22 ARG 92 HH22 ARG 92 14.198 22.701 9.426 786 H VAL 93 H VAL 93 6.432 17.868 6.495 787 HA VAL 93 HA VAL 93 4.814 20.129 7.247 788 HB VAL 93 HB VAL 93 4.469 18.355 4.831 789 HG11 VAL 93 HG11 VAL 93 3.763 20.845 4.066 790 HG12 VAL 93 HG12 VAL 93 3.282 20.882 5.762 791 HG13 VAL 93 HG13 VAL 93 2.629 19.646 4.686 792 HG21 VAL 93 HG21 VAL 93 6.325 20.665 5.315 793 HG22 VAL 93 HG22 VAL 93 5.794 20.221 3.694 794 HG23 VAL 93 HG23 VAL 93 6.699 19.066 4.674 795 H LEU 94 H LEU 94 4.230 16.675 6.627 796 HA LEU 94 HA LEU 94 1.609 16.974 7.941 797 HB2 LEU 94 HB2 LEU 94 2.506 15.391 5.602 798 HB3 LEU 94 HB3 LEU 94 1.320 14.649 6.659 799 HG LEU 94 HG LEU 94 0.238 15.771 4.789 800 HD11 LEU 94 HD11 LEU 94 -0.579 17.660 6.834 801 HD12 LEU 94 HD12 LEU 94 -0.430 16.015 7.455 802 HD13 LEU 94 HD13 LEU 94 -1.482 16.346 6.079 803 HD21 LEU 94 HD21 LEU 94 1.988 17.476 4.424 804 HD22 LEU 94 HD22 LEU 94 1.438 18.314 5.874 805 HD23 LEU 94 HD23 LEU 94 0.364 18.160 4.485 806 HA PRO 95 HA PRO 95 4.153 14.234 10.679 807 HB2 PRO 95 HB2 PRO 95 3.517 15.451 13.002 808 HB3 PRO 95 HB3 PRO 95 4.822 16.034 11.961 809 HG2 PRO 95 HG2 PRO 95 2.015 17.041 12.226 810 HG3 PRO 95 HG3 PRO 95 3.527 17.961 12.105 811 HD2 PRO 95 HD2 PRO 95 1.850 17.555 9.995 812 HD3 PRO 95 HD3 PRO 95 3.604 17.767 9.818 813 H SER 96 H SER 96 0.856 15.296 10.560 814 HA SER 96 HA SER 96 -0.047 13.186 12.360 815 HB2 SER 96 HB2 SER 96 -2.214 14.224 12.253 816 HB3 SER 96 HB3 SER 96 -1.020 15.505 12.470 817 HG SER 96 HG SER 96 -2.735 15.747 10.774 818 H SER 97 H SER 97 -0.179 14.116 8.957 819 HA SER 97 HA SER 97 -2.024 12.235 8.045 820 HB2 SER 97 HB2 SER 97 -0.808 14.175 6.787 821 HB3 SER 97 HB3 SER 97 0.389 12.939 6.404 822 HG SER 97 HG SER 97 -1.145 12.979 4.778 823 H LEU 98 H LEU 98 1.515 11.964 8.280 824 HA LEU 98 HA LEU 98 1.852 9.416 7.279 825 HB2 LEU 98 HB2 LEU 98 3.511 11.242 8.326 826 HB3 LEU 98 HB3 LEU 98 3.440 10.130 9.679 827 HG LEU 98 HG LEU 98 4.385 9.533 6.881 828 HD11 LEU 98 HD11 LEU 98 6.510 9.342 7.773 829 HD12 LEU 98 HD12 LEU 98 5.912 9.119 9.416 830 HD13 LEU 98 HD13 LEU 98 5.845 10.710 8.662 831 HD21 LEU 98 HD21 LEU 98 3.970 7.651 9.201 832 HD22 LEU 98 HD22 LEU 98 4.833 7.253 7.715 833 HD23 LEU 98 HD23 LEU 98 3.112 7.631 7.661 834 H GLU 99 H GLU 99 0.714 10.408 10.442 835 HA GLU 99 HA GLU 99 0.949 7.976 11.799 836 HB2 GLU 99 HB2 GLU 99 -0.067 10.508 12.356 837 HB3 GLU 99 HB3 GLU 99 -1.455 9.443 12.528 838 HG2 GLU 99 HG2 GLU 99 0.758 8.220 13.813 839 HG3 GLU 99 HG3 GLU 99 0.668 9.898 14.344 840 H ILE 100 H ILE 100 -1.420 9.107 9.495 841 HA ILE 100 HA ILE 100 -3.359 7.077 10.011 842 HB ILE 100 HB ILE 100 -3.016 8.666 7.468 843 HG12 ILE 100 HG12 ILE 100 -4.702 9.361 9.880 844 HG13 ILE 100 HG13 ILE 100 -3.143 10.096 9.522 845 HG21 ILE 100 HG21 ILE 100 -5.036 7.905 6.811 846 HG22 ILE 100 HG22 ILE 100 -5.676 7.865 8.454 847 HG23 ILE 100 HG23 ILE 100 -4.637 6.561 7.878 848 HD11 ILE 100 HD11 ILE 100 -5.428 11.213 8.815 849 HD12 ILE 100 HD12 ILE 100 -5.212 10.174 7.408 850 HD13 ILE 100 HD13 ILE 100 -3.973 11.356 7.829 851 H PHE 101 H PHE 101 -0.923 7.535 7.454 852 HA PHE 101 HA PHE 101 -1.441 5.126 6.098 853 HB2 PHE 101 HB2 PHE 101 1.163 6.662 6.248 854 HB3 PHE 101 HB3 PHE 101 0.734 5.468 5.028 855 HD1 PHE 101 HD1 PHE 101 -1.685 6.024 3.915 856 HD2 PHE 101 HD2 PHE 101 1.031 8.842 5.583 857 HE1 PHE 101 HE1 PHE 101 -2.680 7.797 2.530 858 HE2 PHE 101 HE2 PHE 101 0.041 10.621 4.202 859 HZ PHE 101 HZ PHE 101 -1.818 10.100 2.673 860 H GLU 102 H GLU 102 0.468 5.860 8.925 861 HA GLU 102 HA GLU 102 2.077 3.566 9.006 862 HB2 GLU 102 HB2 GLU 102 2.445 5.518 10.452 863 HB3 GLU 102 HB3 GLU 102 0.950 5.168 11.310 864 HG2 GLU 102 HG2 GLU 102 2.152 2.831 11.665 865 HG3 GLU 102 HG3 GLU 102 3.588 3.833 11.461 866 H GLU 103 H GLU 103 -1.180 4.178 10.242 867 HA GLU 103 HA GLU 103 -1.444 1.558 11.386 868 HB2 GLU 103 HB2 GLU 103 -2.875 4.012 11.483 869 HB3 GLU 103 HB3 GLU 103 -3.992 2.778 10.919 870 HG2 GLU 103 HG2 GLU 103 -3.841 1.557 12.870 871 HG3 GLU 103 HG3 GLU 103 -2.282 2.259 13.309 872 H LEU 104 H LEU 104 -1.951 2.982 8.286 873 HA LEU 104 HA LEU 104 -3.845 1.124 7.280 874 HB2 LEU 104 HB2 LEU 104 -2.916 3.477 6.394 875 HB3 LEU 104 HB3 LEU 104 -1.918 2.408 5.426 876 HG LEU 104 HG LEU 104 -4.920 2.175 5.503 877 HD11 LEU 104 HD11 LEU 104 -3.311 3.656 3.435 878 HD12 LEU 104 HD12 LEU 104 -4.169 4.447 4.758 879 HD13 LEU 104 HD13 LEU 104 -5.066 3.525 3.551 880 HD21 LEU 104 HD21 LEU 104 -4.157 1.296 3.093 881 HD22 LEU 104 HD22 LEU 104 -4.261 0.251 4.510 882 HD23 LEU 104 HD23 LEU 104 -2.703 0.911 4.013 883 H TYR 105 H TYR 105 -0.305 1.371 6.926 884 HA TYR 105 HA TYR 105 -0.012 -0.959 5.380 885 HB2 TYR 105 HB2 TYR 105 2.294 -0.691 5.630 886 HB3 TYR 105 HB3 TYR 105 1.685 0.946 5.824 887 HD1 TYR 105 HD1 TYR 105 2.703 -2.038 7.824 888 HD2 TYR 105 HD2 TYR 105 2.331 2.195 7.663 889 HE1 TYR 105 HE1 TYR 105 3.882 -1.860 9.974 890 HE2 TYR 105 HE2 TYR 105 3.507 2.387 9.816 891 HH TYR 105 HH TYR 105 4.049 -0.248 11.855 892 H LYS 106 H LYS 106 -0.148 -0.443 8.845 893 HA LYS 106 HA LYS 106 0.670 -3.083 9.558 894 HB2 LYS 106 HB2 LYS 106 0.596 -0.866 10.974 895 HB3 LYS 106 HB3 LYS 106 -1.038 -1.398 11.345 896 HG2 LYS 106 HG2 LYS 106 -0.033 -2.446 13.052 897 HG3 LYS 106 HG3 LYS 106 0.327 -3.669 11.833 898 HD2 LYS 106 HD2 LYS 106 2.427 -3.353 12.666 899 HD3 LYS 106 HD3 LYS 106 2.426 -2.102 11.422 900 HE2 LYS 106 HE2 LYS 106 2.279 -0.399 12.937 901 HE3 LYS 106 HE3 LYS 106 1.418 -1.382 14.121 902 HZ1 LYS 106 HZ1 LYS 106 4.310 -1.230 13.596 903 HZ2 LYS 106 HZ2 LYS 106 3.654 -2.630 14.280 904 HZ3 LYS 106 HZ3 LYS 106 3.485 -1.145 15.070 905 H TYR 107 H TYR 107 -2.373 -1.541 8.814 906 HA TYR 107 HA TYR 107 -4.082 -3.546 9.848 907 HB2 TYR 107 HB2 TYR 107 -4.994 -1.376 9.392 908 HB3 TYR 107 HB3 TYR 107 -4.479 -1.448 7.710 909 HD1 TYR 107 HD1 TYR 107 -5.611 -3.079 6.162 910 HD2 TYR 107 HD2 TYR 107 -7.089 -2.241 10.064 911 HE1 TYR 107 HE1 TYR 107 -7.799 -4.003 5.525 912 HE2 TYR 107 HE2 TYR 107 -9.280 -3.163 9.438 913 HH TYR 107 HH TYR 107 -10.429 -3.469 6.679 914 H ALA 108 H ALA 108 -2.873 -2.923 6.556 915 HA ALA 108 HA ALA 108 -4.123 -5.081 5.298 916 HB1 ALA 108 HB1 ALA 108 -3.277 -3.677 3.734 917 HB2 ALA 108 HB2 ALA 108 -1.942 -4.829 3.780 918 HB3 ALA 108 HB3 ALA 108 -1.831 -3.316 4.678 919 H LEU 109 H LEU 109 -1.212 -4.918 7.220 920 HA LEU 109 HA LEU 109 -0.018 -7.337 6.465 921 HB2 LEU 109 HB2 LEU 109 0.125 -5.543 8.822 922 HB3 LEU 109 HB3 LEU 109 0.725 -7.176 9.039 923 HG LEU 109 HG LEU 109 1.695 -5.673 6.665 924 HD11 LEU 109 HD11 LEU 109 2.483 -5.063 9.503 925 HD12 LEU 109 HD12 LEU 109 1.925 -3.941 8.260 926 HD13 LEU 109 HD13 LEU 109 3.511 -4.701 8.116 927 HD21 LEU 109 HD21 LEU 109 2.247 -8.105 7.670 928 HD22 LEU 109 HD22 LEU 109 3.479 -7.147 8.492 929 HD23 LEU 109 HD23 LEU 109 3.398 -7.154 6.731 930 H ASN 110 H ASN 110 -2.281 -6.639 9.123 931 HA ASN 110 HA ASN 110 -2.473 -9.302 10.038 932 HB2 ASN 110 HB2 ASN 110 -3.267 -6.971 11.066 933 HB3 ASN 110 HB3 ASN 110 -4.800 -7.471 10.358 934 HD21 ASN 110 HD21 ASN 110 -2.912 -7.605 13.059 935 HD22 ASN 110 HD22 ASN 110 -3.636 -8.965 13.840 936 H GLU 111 H GLU 111 -3.932 -7.633 7.388 937 HA GLU 111 HA GLU 111 -6.238 -9.197 7.034 938 HB2 GLU 111 HB2 GLU 111 -5.119 -7.019 5.774 939 HB3 GLU 111 HB3 GLU 111 -4.982 -8.276 4.553 940 HG2 GLU 111 HG2 GLU 111 -7.568 -7.787 5.976 941 HG3 GLU 111 HG3 GLU 111 -7.086 -6.806 4.593 942 H ASN 112 H ASN 112 -2.942 -9.979 6.607 943 HA ASN 112 HA ASN 112 -2.846 -11.710 4.492 944 HB2 ASN 112 HB2 ASN 112 -1.136 -12.992 5.841 945 HB3 ASN 112 HB3 ASN 112 -0.847 -11.259 5.710 946 HD21 ASN 112 HD21 ASN 112 0.465 -11.389 7.568 947 HD22 ASN 112 HD22 ASN 112 -0.232 -11.481 9.147 948 H SER 113 H SER 113 -4.455 -12.176 7.545 949 HA SER 113 HA SER 113 -4.945 -14.997 6.996 950 HB2 SER 113 HB2 SER 113 -5.327 -13.200 9.353 951 HB3 SER 113 HB3 SER 113 -6.329 -14.646 9.228 952 HG SER 113 HG SER 113 -4.235 -15.764 8.874 953 H ASN 114 H ASN 114 -7.172 -15.836 7.153 954 HA ASN 114 HA ASN 114 -9.204 -13.908 6.271 955 HB2 ASN 114 HB2 ASN 114 -7.990 -15.578 4.499 956 HB3 ASN 114 HB3 ASN 114 -9.350 -16.572 5.008 957 HD21 ASN 114 HD21 ASN 114 -8.943 -15.517 2.415 958 HD22 ASN 114 HD22 ASN 114 -10.247 -14.436 2.077 959 H ASP 115 H ASP 115 -11.437 -14.994 6.261 960 HA ASP 115 HA ASP 115 -11.753 -16.307 8.840 961 HB2 ASP 115 HB2 ASP 115 -13.156 -14.300 7.736 962 HB3 ASP 115 HB3 ASP 115 -14.122 -15.659 7.169 963 H ARG 116 H ARG 116 -10.620 -18.183 7.571 964 HA ARG 116 HA ARG 116 -12.166 -19.733 5.779 965 HB2 ARG 116 HB2 ARG 116 -9.560 -19.784 6.727 966 HB3 ARG 116 HB3 ARG 116 -10.260 -21.266 7.365 967 HG2 ARG 116 HG2 ARG 116 -9.165 -21.594 5.196 968 HG3 ARG 116 HG3 ARG 116 -10.886 -21.975 5.144 969 HD2 ARG 116 HD2 ARG 116 -10.660 -19.246 4.508 970 HD3 ARG 116 HD3 ARG 116 -9.395 -20.071 3.598 971 HE ARG 116 HE ARG 116 -11.567 -21.607 3.140 972 HH11 ARG 116 HH11 ARG 116 -10.991 -18.175 2.860 973 HH12 ARG 116 HH12 ARG 116 -12.123 -17.965 1.568 974 HH21 ARG 116 HH21 ARG 116 -13.056 -21.331 1.440 975 HH22 ARG 116 HH22 ARG 116 -13.296 -19.756 0.760 976 H SER 117 H SER 117 -12.110 -22.305 6.739 977 HA SER 117 HA SER 117 -13.333 -23.815 7.920 978 HB2 SER 117 HB2 SER 117 -11.995 -22.814 9.817 979 HB3 SER 117 HB3 SER 117 -13.378 -21.771 10.148 980 HG SER 117 HG SER 117 -13.414 -23.670 11.421 981 H GLU 118 H GLU 118 -15.324 -24.203 7.239 982 HA GLU 118 HA GLU 118 -17.383 -22.133 7.636 983 HB2 GLU 118 HB2 GLU 118 -17.326 -24.359 5.588 984 HB3 GLU 118 HB3 GLU 118 -18.572 -23.129 5.741 985 HG2 GLU 118 HG2 GLU 118 -16.386 -21.572 5.489 986 HG3 GLU 118 HG3 GLU 118 -15.897 -22.974 4.540 987 H HIS 119 H HIS 119 -17.000 -25.674 7.448 988 HA HIS 119 HA HIS 119 -19.342 -25.980 9.179 989 HB2 HIS 119 HB2 HIS 119 -17.950 -27.713 7.207 990 HB3 HIS 119 HB3 HIS 119 -18.708 -28.514 8.578 991 HD1 HIS 119 HD1 HIS 119 -21.221 -26.661 8.776 992 HD2 HIS 119 HD2 HIS 119 -19.783 -28.388 5.282 993 HE1 HIS 119 HE1 HIS 119 -23.188 -26.755 7.212 994 HE2 HIS 119 HE2 HIS 119 -22.314 -27.885 5.137 995 H HIS 120 H HIS 120 -16.739 -25.037 10.162 996 HA HIS 120 HA HIS 120 -15.420 -25.298 11.992 997 HB2 HIS 120 HB2 HIS 120 -17.831 -26.799 12.584 998 HB3 HIS 120 HB3 HIS 120 -16.427 -27.504 13.381 999 HD1 HIS 120 HD1 HIS 120 -14.889 -25.445 14.598 1000 HD2 HIS 120 HD2 HIS 120 -18.987 -24.933 14.140 1001 HE1 HIS 120 HE1 HIS 120 -15.537 -23.678 16.267 1002 HE2 HIS 120 HE2 HIS 120 -18.035 -23.449 16.032 1003 H LYS 121 H LYS 121 -15.211 -27.098 9.476 1004 HA LYS 121 HA LYS 121 -13.757 -28.649 8.678 1005 HB2 LYS 121 HB2 LYS 121 -12.449 -27.578 11.080 1006 HB3 LYS 121 HB3 LYS 121 -11.884 -29.174 10.607 1007 HG2 LYS 121 HG2 LYS 121 -10.451 -27.904 9.394 1008 HG3 LYS 121 HG3 LYS 121 -11.768 -28.027 8.227 1009 HD2 LYS 121 HD2 LYS 121 -11.710 -25.792 8.162 1010 HD3 LYS 121 HD3 LYS 121 -12.489 -25.847 9.745 1011 HE2 LYS 121 HE2 LYS 121 -9.537 -25.645 9.175 1012 HE3 LYS 121 HE3 LYS 121 -10.573 -24.395 9.860 1013 HZ1 LYS 121 HZ1 LYS 121 -10.989 -26.322 11.611 1014 HZ2 LYS 121 HZ2 LYS 121 -9.716 -25.219 11.765 1015 HZ3 LYS 121 HZ3 LYS 121 -9.430 -26.758 11.125 1016 H LYS 122 H LYS 122 -13.934 -30.791 8.465 1017 HA LYS 122 HA LYS 122 -13.889 -32.669 10.537 1018 HB2 LYS 122 HB2 LYS 122 -16.442 -31.397 10.168 1019 HB3 LYS 122 HB3 LYS 122 -16.568 -33.099 9.746 1020 HG2 LYS 122 HG2 LYS 122 -15.289 -32.222 12.309 1021 HG3 LYS 122 HG3 LYS 122 -17.037 -32.411 12.162 1022 HD2 LYS 122 HD2 LYS 122 -15.408 -34.655 11.156 1023 HD3 LYS 122 HD3 LYS 122 -15.368 -34.397 12.902 1024 HE2 LYS 122 HE2 LYS 122 -17.760 -34.568 13.038 1025 HE3 LYS 122 HE3 LYS 122 -17.899 -34.627 11.281 1026 HZ1 LYS 122 HZ1 LYS 122 -16.220 -36.661 12.509 1027 HZ2 LYS 122 HZ2 LYS 122 -17.308 -36.786 11.217 1028 HZ3 LYS 122 HZ3 LYS 122 -17.879 -36.791 12.810 1029 HA PRO 123 HA PRO 123 -15.217 -34.921 6.529 1030 HB2 PRO 123 HB2 PRO 123 -16.263 -33.537 4.472 1031 HB3 PRO 123 HB3 PRO 123 -17.253 -34.080 5.832 1032 HG2 PRO 123 HG2 PRO 123 -16.081 -31.375 5.303 1033 HG3 PRO 123 HG3 PRO 123 -17.703 -31.798 5.886 1034 HD2 PRO 123 HD2 PRO 123 -15.683 -30.974 7.526 1035 HD3 PRO 123 HD3 PRO 123 -16.992 -32.051 8.052 1036 H ARG 124 H ARG 124 -13.916 -35.499 4.801 1037 HA ARG 124 HA ARG 124 -12.304 -33.527 3.440 1038 HB2 ARG 124 HB2 ARG 124 -10.152 -34.556 4.063 1039 HB3 ARG 124 HB3 ARG 124 -10.973 -33.844 5.443 1040 HG2 ARG 124 HG2 ARG 124 -11.038 -35.783 6.521 1041 HG3 ARG 124 HG3 ARG 124 -11.669 -36.633 5.110 1042 HD2 ARG 124 HD2 ARG 124 -9.654 -37.437 4.560 1043 HD3 ARG 124 HD3 ARG 124 -8.862 -35.887 4.842 1044 HE ARG 124 HE ARG 124 -8.294 -36.593 6.948 1045 HH11 ARG 124 HH11 ARG 124 -10.701 -38.752 5.635 1046 HH12 ARG 124 HH12 ARG 124 -10.545 -39.906 6.914 1047 HH21 ARG 124 HH21 ARG 124 -8.086 -38.113 8.631 1048 HH22 ARG 124 HH22 ARG 124 -9.060 -39.543 8.616 1049 H ILE 125 H ILE 125 -13.571 -34.445 1.711 1050 HA ILE 125 HA ILE 125 -12.473 -37.013 0.767 1051 HB ILE 125 HB ILE 125 -15.255 -36.016 0.165 1052 HG12 ILE 125 HG12 ILE 125 -15.618 -38.226 1.709 1053 HG13 ILE 125 HG13 ILE 125 -14.186 -37.534 2.463 1054 HG21 ILE 125 HG21 ILE 125 -14.098 -37.579 -1.438 1055 HG22 ILE 125 HG22 ILE 125 -15.636 -38.148 -0.792 1056 HG23 ILE 125 HG23 ILE 125 -14.122 -38.784 -0.150 1057 HD11 ILE 125 HD11 ILE 125 -16.131 -36.733 3.594 1058 HD12 ILE 125 HD12 ILE 125 -16.853 -36.201 2.076 1059 HD13 ILE 125 HD13 ILE 125 -15.412 -35.395 2.696 1060 H ASP 126 H ASP 126 -11.873 -37.146 -1.356 1061 HA ASP 126 HA ASP 126 -12.309 -34.794 -3.058 1062 HB2 ASP 126 HB2 ASP 126 -9.774 -35.735 -1.978 1063 HB3 ASP 126 HB3 ASP 126 -9.758 -35.672 -3.738 1064 H ASP 127 H ASP 127 -11.072 -38.126 -2.947 1065 HA ASP 127 HA ASP 127 -12.566 -38.710 -5.388 1066 HB2 ASP 127 HB2 ASP 127 -9.639 -38.620 -5.167 1067 HB3 ASP 127 HB3 ASP 127 -10.258 -40.120 -5.853 1068 H SER 128 H SER 128 -12.885 -39.394 -2.568 1069 HA SER 128 HA SER 128 -12.603 -42.321 -2.764 1070 HB2 SER 128 HB2 SER 128 -11.561 -40.632 -0.789 1071 HB3 SER 128 HB3 SER 128 -12.972 -41.383 -0.045 1072 HG SER 128 HG SER 128 -12.026 -43.415 -0.926 1073 H SER 129 H SER 129 -14.589 -42.844 -3.553 1074 HA SER 129 HA SER 129 -16.917 -41.983 -1.964 1075 HB2 SER 129 HB2 SER 129 -16.647 -42.565 -4.910 1076 HB3 SER 129 HB3 SER 129 -18.216 -42.561 -4.104 1077 HG SER 129 HG SER 129 -18.143 -40.493 -4.457 1078 H ASP 130 H ASP 130 -17.227 -43.613 -0.553 1079 HA ASP 130 HA ASP 130 -17.819 -45.657 0.247 1080 HB2 ASP 130 HB2 ASP 130 -19.136 -45.417 -2.197 1081 HB3 ASP 130 HB3 ASP 130 -18.375 -47.004 -2.272 1082 H LEU 131 H LEU 131 -16.528 -47.228 0.949 1083 HA LEU 131 HA LEU 131 -14.699 -48.543 -0.912 1084 HB2 LEU 131 HB2 LEU 131 -13.781 -47.366 1.709 1085 HB3 LEU 131 HB3 LEU 131 -12.794 -48.259 0.567 1086 HG LEU 131 HG LEU 131 -13.639 -46.267 -1.040 1087 HD11 LEU 131 HD11 LEU 131 -13.271 -44.184 0.462 1088 HD12 LEU 131 HD12 LEU 131 -13.793 -45.252 1.766 1089 HD13 LEU 131 HD13 LEU 131 -14.863 -44.940 0.400 1090 HD21 LEU 131 HD21 LEU 131 -11.393 -46.490 -1.092 1091 HD22 LEU 131 HD22 LEU 131 -11.266 -46.718 0.652 1092 HD23 LEU 131 HD23 LEU 131 -11.448 -45.096 -0.012 1093 H LEU 132 H LEU 132 -17.127 -49.365 0.464 1094 HA LEU 132 HA LEU 132 -16.268 -51.146 2.580 1095 HB2 LEU 132 HB2 LEU 132 -18.851 -50.289 1.414 1096 HB3 LEU 132 HB3 LEU 132 -18.809 -51.899 2.106 1097 HG LEU 132 HG LEU 132 -19.615 -50.181 3.690 1098 HD11 LEU 132 HD11 LEU 132 -18.855 -51.916 4.927 1099 HD12 LEU 132 HD12 LEU 132 -17.660 -50.719 5.426 1100 HD13 LEU 132 HD13 LEU 132 -17.259 -51.899 4.177 1101 HD21 LEU 132 HD21 LEU 132 -17.708 -48.743 4.680 1102 HD22 LEU 132 HD22 LEU 132 -18.483 -48.220 3.186 1103 HD23 LEU 132 HD23 LEU 132 -16.913 -49.021 3.130 1104 H LYS 133 H LYS 133 -16.972 -53.475 2.480 1105 HA LYS 133 HA LYS 133 -16.982 -54.634 -0.188 1106 HB2 LYS 133 HB2 LYS 133 -14.569 -54.341 1.062 1107 HB3 LYS 133 HB3 LYS 133 -15.044 -55.949 1.591 1108 HG2 LYS 133 HG2 LYS 133 -15.143 -55.181 -1.300 1109 HG3 LYS 133 HG3 LYS 133 -13.644 -55.723 -0.544 1110 HD2 LYS 133 HD2 LYS 133 -15.266 -57.666 0.310 1111 HD3 LYS 133 HD3 LYS 133 -16.115 -57.234 -1.177 1112 HE2 LYS 133 HE2 LYS 133 -13.252 -57.434 -1.582 1113 HE3 LYS 133 HE3 LYS 133 -13.929 -58.930 -0.941 1114 HZ1 LYS 133 HZ1 LYS 133 -15.353 -57.640 -3.141 1115 HZ2 LYS 133 HZ2 LYS 133 -15.148 -59.285 -2.803 1116 HZ3 LYS 133 HZ3 LYS 133 -13.888 -58.404 -3.510 1117 H THR 134 H THR 134 -16.689 -55.445 3.269 1118 HA THR 134 HA THR 134 -17.910 -57.962 3.110 1119 HB THR 134 HB THR 134 -16.626 -57.333 5.058 1120 HG1 THR 134 HG1 THR 134 -18.249 -58.819 5.481 1121 HG21 THR 134 HG21 THR 134 -18.722 -55.554 6.144 1122 HG22 THR 134 HG22 THR 134 -17.618 -54.881 4.945 1123 HG23 THR 134 HG23 THR 134 -16.983 -55.576 6.436 1124 H ASP 135 H ASP 135 -19.280 -54.769 3.830 1125 HA ASP 135 HA ASP 135 -21.968 -55.932 3.536 1126 HB2 ASP 135 HB2 ASP 135 -21.009 -53.502 5.048 1127 HB3 ASP 135 HB3 ASP 135 -22.712 -53.812 4.726 1128 H GLU 136 H GLU 136 -23.272 -55.247 1.945 1129 HA GLU 136 HA GLU 136 -22.862 -52.708 0.635 1130 HB2 GLU 136 HB2 GLU 136 -22.035 -55.282 -0.601 1131 HB3 GLU 136 HB3 GLU 136 -22.875 -54.131 -1.633 1132 HG2 GLU 136 HG2 GLU 136 -21.202 -52.426 -1.063 1133 HG3 GLU 136 HG3 GLU 136 -20.349 -53.615 -0.078 1134 H ILE 137 H ILE 137 -24.338 -55.823 -0.282 1135 HA ILE 137 HA ILE 137 -26.490 -56.416 -0.730 1136 HB ILE 137 HB ILE 137 -27.341 -53.964 0.804 1137 HG12 ILE 137 HG12 ILE 137 -26.829 -56.722 1.929 1138 HG13 ILE 137 HG13 ILE 137 -25.681 -55.394 2.051 1139 HG21 ILE 137 HG21 ILE 137 -29.423 -54.771 0.714 1140 HG22 ILE 137 HG22 ILE 137 -28.894 -56.421 1.043 1141 HG23 ILE 137 HG23 ILE 137 -28.830 -55.786 -0.601 1142 HD11 ILE 137 HD11 ILE 137 -27.871 -56.010 3.738 1143 HD12 ILE 137 HD12 ILE 137 -28.180 -54.450 2.976 1144 HD13 ILE 137 HD13 ILE 137 -26.693 -54.707 3.888 Start of MODEL 2 1 H1 GLY -2 H1 GLY -2 -11.775 9.132 -25.266 2 H2 GLY -2 H2 GLY -2 -10.210 9.466 -24.716 3 H3 GLY -2 H3 GLY -2 -11.474 10.535 -24.368 4 HA2 GLY -2 HA2 GLY -2 -12.499 9.034 -22.888 5 HA3 GLY -2 HA3 GLY -2 -11.455 7.728 -23.426 6 H HIS -1 H HIS -1 -11.539 7.991 -20.822 7 HA HIS -1 HA HIS -1 -9.013 9.343 -20.144 8 HB2 HIS -1 HB2 HIS -1 -11.532 9.198 -18.477 9 HB3 HIS -1 HB3 HIS -1 -9.977 9.755 -17.868 10 HD1 HIS -1 HD1 HIS -1 -12.837 11.336 -18.416 11 HD2 HIS -1 HD2 HIS -1 -9.194 11.746 -20.371 12 HE1 HIS -1 HE1 HIS -1 -12.876 13.633 -19.437 13 HE2 HIS -1 HE2 HIS -1 -10.626 13.894 -20.540 14 H MET 0 H MET 0 -7.800 8.375 -18.419 15 HA MET 0 HA MET 0 -8.587 5.740 -17.501 16 HB2 MET 0 HB2 MET 0 -6.508 6.198 -19.566 17 HB3 MET 0 HB3 MET 0 -6.109 5.053 -18.293 18 HG2 MET 0 HG2 MET 0 -8.762 4.694 -19.490 19 HG3 MET 0 HG3 MET 0 -7.404 4.427 -20.583 20 HE1 MET 0 HE1 MET 0 -5.392 1.647 -18.702 21 HE2 MET 0 HE2 MET 0 -5.154 3.389 -18.855 22 HE3 MET 0 HE3 MET 0 -5.600 2.431 -20.267 23 H MET 1 H MET 1 -8.042 8.329 -16.291 24 HA MET 1 HA MET 1 -6.033 7.442 -14.366 25 HB2 MET 1 HB2 MET 1 -5.274 9.217 -16.255 26 HB3 MET 1 HB3 MET 1 -5.917 10.322 -15.049 27 HG2 MET 1 HG2 MET 1 -4.371 9.605 -13.423 28 HG3 MET 1 HG3 MET 1 -3.900 8.203 -14.382 29 HE1 MET 1 HE1 MET 1 -1.391 8.392 -14.703 30 HE2 MET 1 HE2 MET 1 -1.512 9.505 -13.340 31 HE3 MET 1 HE3 MET 1 -0.542 9.935 -14.748 32 H SER 2 H SER 2 -7.625 7.110 -12.841 33 HA SER 2 HA SER 2 -8.876 9.556 -11.797 34 HB2 SER 2 HB2 SER 2 -10.848 8.031 -11.154 35 HB3 SER 2 HB3 SER 2 -10.707 8.502 -12.848 36 HG SER 2 HG SER 2 -10.628 6.459 -13.283 37 H LYS 3 H LYS 3 -6.461 8.339 -10.940 38 HA LYS 3 HA LYS 3 -5.387 7.725 -9.034 39 HB2 LYS 3 HB2 LYS 3 -7.641 9.248 -8.218 40 HB3 LYS 3 HB3 LYS 3 -7.474 7.914 -7.086 41 HG2 LYS 3 HG2 LYS 3 -5.519 8.687 -6.245 42 HG3 LYS 3 HG3 LYS 3 -5.011 9.395 -7.779 43 HD2 LYS 3 HD2 LYS 3 -6.947 11.068 -7.366 44 HD3 LYS 3 HD3 LYS 3 -6.846 10.514 -5.694 45 HE2 LYS 3 HE2 LYS 3 -4.759 11.417 -5.378 46 HE3 LYS 3 HE3 LYS 3 -4.345 11.329 -7.090 47 HZ1 LYS 3 HZ1 LYS 3 -6.350 13.074 -7.156 48 HZ2 LYS 3 HZ2 LYS 3 -4.729 13.528 -6.984 49 HZ3 LYS 3 HZ3 LYS 3 -5.725 13.419 -5.622 50 H LEU 4 H LEU 4 -5.201 6.022 -7.441 51 HA LEU 4 HA LEU 4 -7.225 3.927 -7.532 52 HB2 LEU 4 HB2 LEU 4 -4.491 3.725 -8.692 53 HB3 LEU 4 HB3 LEU 4 -5.134 2.323 -7.859 54 HG LEU 4 HG LEU 4 -6.883 3.578 -9.899 55 HD11 LEU 4 HD11 LEU 4 -4.920 1.653 -10.962 56 HD12 LEU 4 HD12 LEU 4 -4.324 3.285 -10.655 57 HD13 LEU 4 HD13 LEU 4 -5.694 3.035 -11.737 58 HD21 LEU 4 HD21 LEU 4 -6.206 0.738 -9.152 59 HD22 LEU 4 HD22 LEU 4 -7.409 1.220 -10.347 60 HD23 LEU 4 HD23 LEU 4 -7.635 1.641 -8.649 61 H PHE 5 H PHE 5 -6.263 5.745 -5.491 62 HA PHE 5 HA PHE 5 -5.034 3.829 -3.617 63 HB2 PHE 5 HB2 PHE 5 -3.711 5.903 -4.113 64 HB3 PHE 5 HB3 PHE 5 -5.017 6.845 -3.404 65 HD1 PHE 5 HD1 PHE 5 -3.047 3.810 -2.479 66 HD2 PHE 5 HD2 PHE 5 -4.616 7.579 -1.278 67 HE1 PHE 5 HE1 PHE 5 -2.042 3.513 -0.252 68 HE2 PHE 5 HE2 PHE 5 -3.614 7.290 0.951 69 HZ PHE 5 HZ PHE 5 -2.326 5.255 1.466 70 H LEU 6 H LEU 6 -7.552 6.255 -4.047 71 HA LEU 6 HA LEU 6 -8.715 5.537 -1.457 72 HB2 LEU 6 HB2 LEU 6 -9.380 7.756 -3.391 73 HB3 LEU 6 HB3 LEU 6 -10.234 7.465 -1.887 74 HG LEU 6 HG LEU 6 -7.895 7.728 -0.784 75 HD11 LEU 6 HD11 LEU 6 -7.394 8.512 -3.572 76 HD12 LEU 6 HD12 LEU 6 -6.279 7.942 -2.330 77 HD13 LEU 6 HD13 LEU 6 -6.788 9.630 -2.350 78 HD21 LEU 6 HD21 LEU 6 -9.817 9.747 -1.751 79 HD22 LEU 6 HD22 LEU 6 -8.262 10.357 -1.185 80 HD23 LEU 6 HD23 LEU 6 -9.271 9.387 -0.113 81 H ASP 7 H ASP 7 -8.765 3.769 -3.817 82 HA ASP 7 HA ASP 7 -11.690 3.529 -4.090 83 HB2 ASP 7 HB2 ASP 7 -10.427 4.229 -6.198 84 HB3 ASP 7 HB3 ASP 7 -9.723 2.614 -6.187 85 H GLU 8 H GLU 8 -8.592 1.816 -4.024 86 HA GLU 8 HA GLU 8 -9.661 -0.794 -3.946 87 HB2 GLU 8 HB2 GLU 8 -7.017 0.313 -2.994 88 HB3 GLU 8 HB3 GLU 8 -7.405 -1.402 -3.001 89 HG2 GLU 8 HG2 GLU 8 -7.529 0.298 -5.472 90 HG3 GLU 8 HG3 GLU 8 -6.064 -0.534 -4.954 91 H LEU 9 H LEU 9 -8.317 1.204 -1.311 92 HA LEU 9 HA LEU 9 -9.036 -0.519 0.778 93 HB2 LEU 9 HB2 LEU 9 -8.783 1.487 2.229 94 HB3 LEU 9 HB3 LEU 9 -7.420 1.197 1.164 95 HG LEU 9 HG LEU 9 -8.748 2.913 -0.383 96 HD11 LEU 9 HD11 LEU 9 -10.596 3.562 0.754 97 HD12 LEU 9 HD12 LEU 9 -9.456 4.716 1.445 98 HD13 LEU 9 HD13 LEU 9 -9.873 3.250 2.333 99 HD21 LEU 9 HD21 LEU 9 -6.952 3.580 1.942 100 HD22 LEU 9 HD22 LEU 9 -7.371 4.717 0.661 101 HD23 LEU 9 HD23 LEU 9 -6.476 3.246 0.277 102 HA PRO 10 HA PRO 10 -13.344 -0.176 1.586 103 HB2 PRO 10 HB2 PRO 10 -12.668 1.025 4.232 104 HB3 PRO 10 HB3 PRO 10 -13.725 -0.339 3.854 105 HG2 PRO 10 HG2 PRO 10 -11.300 -0.750 4.866 106 HG3 PRO 10 HG3 PRO 10 -11.951 -1.816 3.607 107 HD2 PRO 10 HD2 PRO 10 -9.889 0.327 3.397 108 HD3 PRO 10 HD3 PRO 10 -10.010 -1.214 2.525 109 H GLU 11 H GLU 11 -15.076 1.323 1.762 110 HA GLU 11 HA GLU 11 -14.439 3.938 0.803 111 HB2 GLU 11 HB2 GLU 11 -16.542 2.397 0.384 112 HB3 GLU 11 HB3 GLU 11 -17.170 3.240 1.794 113 HG2 GLU 11 HG2 GLU 11 -17.957 4.437 -0.058 114 HG3 GLU 11 HG3 GLU 11 -16.620 5.392 0.584 115 H SER 12 H SER 12 -15.395 2.582 3.891 116 HA SER 12 HA SER 12 -16.110 4.941 5.216 117 HB2 SER 12 HB2 SER 12 -14.950 2.343 6.227 118 HB3 SER 12 HB3 SER 12 -15.439 3.649 7.306 119 HG SER 12 HG SER 12 -17.067 1.999 6.874 120 H LEU 13 H LEU 13 -12.965 3.284 5.060 121 HA LEU 13 HA LEU 13 -11.596 5.280 6.559 122 HB2 LEU 13 HB2 LEU 13 -10.885 2.832 5.075 123 HB3 LEU 13 HB3 LEU 13 -9.616 4.038 5.176 124 HG LEU 13 HG LEU 13 -11.066 2.966 7.594 125 HD11 LEU 13 HD11 LEU 13 -8.344 2.118 6.638 126 HD12 LEU 13 HD12 LEU 13 -9.813 1.215 6.269 127 HD13 LEU 13 HD13 LEU 13 -9.309 1.431 7.945 128 HD21 LEU 13 HD21 LEU 13 -9.569 4.138 8.867 129 HD22 LEU 13 HD22 LEU 13 -9.717 5.224 7.486 130 HD23 LEU 13 HD23 LEU 13 -8.332 4.141 7.610 131 H SER 14 H SER 14 -12.283 4.803 3.169 132 HA SER 14 HA SER 14 -10.378 6.461 2.009 133 HB2 SER 14 HB2 SER 14 -12.412 4.964 1.042 134 HB3 SER 14 HB3 SER 14 -13.098 6.578 0.841 135 HG SER 14 HG SER 14 -10.963 5.378 -0.448 136 H ARG 15 H ARG 15 -13.195 7.268 3.861 137 HA ARG 15 HA ARG 15 -13.460 9.956 2.959 138 HB2 ARG 15 HB2 ARG 15 -14.466 8.479 5.381 139 HB3 ARG 15 HB3 ARG 15 -14.772 10.193 5.148 140 HG2 ARG 15 HG2 ARG 15 -16.539 9.689 3.921 141 HG3 ARG 15 HG3 ARG 15 -15.478 8.915 2.741 142 HD2 ARG 15 HD2 ARG 15 -15.574 6.899 4.384 143 HD3 ARG 15 HD3 ARG 15 -17.026 7.695 4.991 144 HE ARG 15 HE ARG 15 -16.721 6.311 2.490 145 HH11 ARG 15 HH11 ARG 15 -18.536 8.747 4.206 146 HH12 ARG 15 HH12 ARG 15 -19.938 8.589 3.202 147 HH21 ARG 15 HH21 ARG 15 -18.564 6.101 1.168 148 HH22 ARG 15 HH22 ARG 15 -19.954 7.087 1.478 149 H LYS 16 H LYS 16 -11.846 8.441 5.727 150 HA LYS 16 HA LYS 16 -10.937 10.939 6.804 151 HB2 LYS 16 HB2 LYS 16 -10.534 8.055 7.452 152 HB3 LYS 16 HB3 LYS 16 -9.375 9.219 8.083 153 HG2 LYS 16 HG2 LYS 16 -10.760 9.640 9.753 154 HG3 LYS 16 HG3 LYS 16 -11.926 10.282 8.597 155 HD2 LYS 16 HD2 LYS 16 -12.737 7.934 8.252 156 HD3 LYS 16 HD3 LYS 16 -11.699 7.447 9.594 157 HE2 LYS 16 HE2 LYS 16 -13.847 9.551 9.790 158 HE3 LYS 16 HE3 LYS 16 -14.080 7.858 10.224 159 HZ1 LYS 16 HZ1 LYS 16 -11.900 9.436 11.434 160 HZ2 LYS 16 HZ2 LYS 16 -12.655 8.039 12.022 161 HZ3 LYS 16 HZ3 LYS 16 -13.470 9.521 12.056 162 H ILE 17 H ILE 17 -9.631 8.484 4.672 163 HA ILE 17 HA ILE 17 -6.953 9.520 4.718 164 HB ILE 17 HB ILE 17 -8.182 7.689 2.657 165 HG12 ILE 17 HG12 ILE 17 -6.559 6.750 5.001 166 HG13 ILE 17 HG13 ILE 17 -8.293 7.007 5.174 167 HG21 ILE 17 HG21 ILE 17 -6.195 8.112 1.694 168 HG22 ILE 17 HG22 ILE 17 -5.586 6.967 2.888 169 HG23 ILE 17 HG23 ILE 17 -5.476 8.700 3.192 170 HD11 ILE 17 HD11 ILE 17 -8.825 5.254 3.806 171 HD12 ILE 17 HD12 ILE 17 -7.338 4.661 4.547 172 HD13 ILE 17 HD13 ILE 17 -7.302 5.340 2.920 173 H GLY 18 H GLY 18 -9.814 9.954 2.734 174 HA2 GLY 18 HA2 GLY 18 -8.533 11.274 0.572 175 HA3 GLY 18 HA3 GLY 18 -10.248 11.327 0.943 176 H THR 19 H THR 19 -9.803 12.400 3.641 177 HA THR 19 HA THR 19 -9.811 15.161 2.951 178 HB THR 19 HB THR 19 -11.193 14.386 4.772 179 HG1 THR 19 HG1 THR 19 -10.760 16.010 6.123 180 HG21 THR 19 HG21 THR 19 -8.629 13.428 5.974 181 HG22 THR 19 HG22 THR 19 -10.153 12.567 5.758 182 HG23 THR 19 HG23 THR 19 -10.020 13.833 6.979 183 H VAL 20 H VAL 20 -7.450 13.010 4.446 184 HA VAL 20 HA VAL 20 -5.593 15.145 4.997 185 HB VAL 20 HB VAL 20 -5.663 13.144 6.427 186 HG11 VAL 20 HG11 VAL 20 -4.506 11.666 4.069 187 HG12 VAL 20 HG12 VAL 20 -6.167 11.514 4.636 188 HG13 VAL 20 HG13 VAL 20 -4.832 11.011 5.672 189 HG21 VAL 20 HG21 VAL 20 -3.640 14.397 6.467 190 HG22 VAL 20 HG22 VAL 20 -3.083 13.662 4.964 191 HG23 VAL 20 HG23 VAL 20 -3.196 12.690 6.430 192 H VAL 21 H VAL 21 -5.818 12.501 2.634 193 HA VAL 21 HA VAL 21 -3.382 12.953 1.334 194 HB VAL 21 HB VAL 21 -5.957 11.843 0.205 195 HG11 VAL 21 HG11 VAL 21 -4.983 11.729 -1.785 196 HG12 VAL 21 HG12 VAL 21 -3.653 10.801 -1.094 197 HG13 VAL 21 HG13 VAL 21 -3.566 12.562 -1.144 198 HG21 VAL 21 HG21 VAL 21 -5.397 9.827 1.049 199 HG22 VAL 21 HG22 VAL 21 -4.483 10.793 2.205 200 HG23 VAL 21 HG23 VAL 21 -3.669 10.087 0.809 201 H ARG 22 H ARG 22 -6.529 14.483 0.940 202 HA ARG 22 HA ARG 22 -6.212 15.752 -1.491 203 HB2 ARG 22 HB2 ARG 22 -8.092 15.818 0.494 204 HB3 ARG 22 HB3 ARG 22 -7.432 17.444 0.583 205 HG2 ARG 22 HG2 ARG 22 -7.822 17.598 -1.910 206 HG3 ARG 22 HG3 ARG 22 -8.752 16.107 -1.759 207 HD2 ARG 22 HD2 ARG 22 -10.464 17.545 -1.445 208 HD3 ARG 22 HD3 ARG 22 -9.872 17.538 0.215 209 HE ARG 22 HE ARG 22 -8.461 19.541 -0.895 210 HH11 ARG 22 HH11 ARG 22 -11.874 18.808 -0.877 211 HH12 ARG 22 HH12 ARG 22 -12.358 20.468 -0.974 212 HH21 ARG 22 HH21 ARG 22 -9.097 21.725 -1.023 213 HH22 ARG 22 HH22 ARG 22 -10.782 22.122 -1.058 214 H VAL 23 H VAL 23 -4.727 16.474 1.571 215 HA VAL 23 HA VAL 23 -3.775 19.075 0.782 216 HB VAL 23 HB VAL 23 -2.851 17.378 3.104 217 HG11 VAL 23 HG11 VAL 23 -2.622 19.949 3.899 218 HG12 VAL 23 HG12 VAL 23 -2.282 20.113 2.175 219 HG13 VAL 23 HG13 VAL 23 -1.313 19.023 3.168 220 HG21 VAL 23 HG21 VAL 23 -4.518 18.322 4.448 221 HG22 VAL 23 HG22 VAL 23 -5.354 17.881 2.961 222 HG23 VAL 23 HG23 VAL 23 -4.904 19.562 3.255 223 H LEU 24 H LEU 24 -2.405 15.827 1.115 224 HA LEU 24 HA LEU 24 -0.029 16.754 -0.364 225 HB2 LEU 24 HB2 LEU 24 -0.314 14.977 1.991 226 HB3 LEU 24 HB3 LEU 24 0.903 14.545 0.806 227 HG LEU 24 HG LEU 24 1.762 15.911 2.712 228 HD11 LEU 24 HD11 LEU 24 3.349 16.321 1.215 229 HD12 LEU 24 HD12 LEU 24 2.490 17.802 0.790 230 HD13 LEU 24 HD13 LEU 24 2.184 16.315 -0.107 231 HD21 LEU 24 HD21 LEU 24 0.248 18.178 1.434 232 HD22 LEU 24 HD22 LEU 24 1.217 18.218 2.906 233 HD23 LEU 24 HD23 LEU 24 -0.304 17.326 2.876 234 HA PRO 25 HA PRO 25 -2.179 13.584 -2.963 235 HB2 PRO 25 HB2 PRO 25 -1.980 14.950 -5.289 236 HB3 PRO 25 HB3 PRO 25 -3.298 15.218 -4.142 237 HG2 PRO 25 HG2 PRO 25 -0.794 16.806 -4.556 238 HG3 PRO 25 HG3 PRO 25 -2.453 17.379 -4.305 239 HD2 PRO 25 HD2 PRO 25 -0.598 17.311 -2.322 240 HD3 PRO 25 HD3 PRO 25 -2.336 17.106 -2.024 241 H SER 26 H SER 26 0.886 15.002 -2.736 242 HA SER 26 HA SER 26 2.004 13.180 -4.753 243 HB2 SER 26 HB2 SER 26 4.094 14.762 -4.202 244 HB3 SER 26 HB3 SER 26 2.878 15.191 -5.405 245 HG SER 26 HG SER 26 2.703 16.923 -4.219 246 H SER 27 H SER 27 1.996 14.029 -1.370 247 HA SER 27 HA SER 27 4.356 12.598 -0.661 248 HB2 SER 27 HB2 SER 27 3.093 14.410 0.693 249 HB3 SER 27 HB3 SER 27 2.079 13.077 1.242 250 HG SER 27 HG SER 27 3.768 13.327 2.683 251 H LEU 28 H LEU 28 0.890 11.800 -0.431 252 HA LEU 28 HA LEU 28 1.002 9.343 0.760 253 HB2 LEU 28 HB2 LEU 28 -1.081 8.826 -0.217 254 HB3 LEU 28 HB3 LEU 28 -1.055 10.564 -0.005 255 HG LEU 28 HG LEU 28 -0.201 9.527 -2.654 256 HD11 LEU 28 HD11 LEU 28 -3.012 9.881 -2.745 257 HD12 LEU 28 HD12 LEU 28 -2.653 8.697 -1.490 258 HD13 LEU 28 HD13 LEU 28 -2.070 8.442 -3.134 259 HD21 LEU 28 HD21 LEU 28 -1.505 11.526 -3.367 260 HD22 LEU 28 HD22 LEU 28 -0.165 11.886 -2.278 261 HD23 LEU 28 HD23 LEU 28 -1.817 11.866 -1.665 262 H GLU 29 H GLU 29 2.006 10.156 -2.475 263 HA GLU 29 HA GLU 29 2.066 7.610 -3.629 264 HB2 GLU 29 HB2 GLU 29 3.673 10.110 -4.092 265 HB3 GLU 29 HB3 GLU 29 4.006 8.639 -4.997 266 HG2 GLU 29 HG2 GLU 29 1.201 9.580 -4.910 267 HG3 GLU 29 HG3 GLU 29 2.347 10.513 -5.869 268 H ILE 30 H ILE 30 4.568 9.358 -1.810 269 HA ILE 30 HA ILE 30 6.573 7.409 -1.970 270 HB ILE 30 HB ILE 30 6.094 9.311 0.328 271 HG12 ILE 30 HG12 ILE 30 8.120 10.127 -1.575 272 HG13 ILE 30 HG13 ILE 30 6.560 9.935 -2.368 273 HG21 ILE 30 HG21 ILE 30 7.741 7.898 1.087 274 HG22 ILE 30 HG22 ILE 30 8.698 9.153 0.296 275 HG23 ILE 30 HG23 ILE 30 8.398 7.622 -0.527 276 HD11 ILE 30 HD11 ILE 30 5.890 11.315 -0.112 277 HD12 ILE 30 HD12 ILE 30 6.185 12.025 -1.700 278 HD13 ILE 30 HD13 ILE 30 7.480 11.973 -0.502 279 H PHE 31 H PHE 31 3.841 7.773 0.203 280 HA PHE 31 HA PHE 31 4.643 5.744 2.035 281 HB2 PHE 31 HB2 PHE 31 1.961 7.035 1.505 282 HB3 PHE 31 HB3 PHE 31 2.264 5.901 2.818 283 HD1 PHE 31 HD1 PHE 31 3.670 6.530 4.705 284 HD2 PHE 31 HD2 PHE 31 2.786 9.284 1.586 285 HE1 PHE 31 HE1 PHE 31 4.441 8.383 6.127 286 HE2 PHE 31 HE2 PHE 31 3.558 11.143 3.000 287 HZ PHE 31 HZ PHE 31 4.388 10.694 5.274 288 H GLU 32 H GLU 32 2.802 5.812 -0.936 289 HA GLU 32 HA GLU 32 1.536 3.322 -0.750 290 HB2 GLU 32 HB2 GLU 32 1.957 5.330 -2.757 291 HB3 GLU 32 HB3 GLU 32 2.244 3.743 -3.460 292 HG2 GLU 32 HG2 GLU 32 0.069 3.015 -2.982 293 HG3 GLU 32 HG3 GLU 32 -0.219 4.344 -1.859 294 H GLU 33 H GLU 33 4.809 4.212 -1.590 295 HA GLU 33 HA GLU 33 5.577 1.722 -2.722 296 HB2 GLU 33 HB2 GLU 33 7.313 3.802 -1.375 297 HB3 GLU 33 HB3 GLU 33 7.870 2.520 -2.443 298 HG2 GLU 33 HG2 GLU 33 5.958 4.678 -3.291 299 HG3 GLU 33 HG3 GLU 33 7.709 4.786 -3.482 300 H LEU 34 H LEU 34 6.028 3.136 0.511 301 HA LEU 34 HA LEU 34 7.193 0.766 1.601 302 HB2 LEU 34 HB2 LEU 34 6.867 1.902 3.788 303 HB3 LEU 34 HB3 LEU 34 7.749 2.858 2.614 304 HG LEU 34 HG LEU 34 5.442 3.949 2.122 305 HD11 LEU 34 HD11 LEU 34 4.308 3.985 4.551 306 HD12 LEU 34 HD12 LEU 34 4.898 2.323 4.520 307 HD13 LEU 34 HD13 LEU 34 3.805 2.895 3.261 308 HD21 LEU 34 HD21 LEU 34 6.173 5.708 3.319 309 HD22 LEU 34 HD22 LEU 34 7.589 4.693 3.584 310 HD23 LEU 34 HD23 LEU 34 6.318 4.771 4.804 311 H TYR 35 H TYR 35 3.974 1.964 1.183 312 HA TYR 35 HA TYR 35 2.697 0.321 3.123 313 HB2 TYR 35 HB2 TYR 35 1.431 2.176 2.484 314 HB3 TYR 35 HB3 TYR 35 1.784 1.955 0.775 315 HD1 TYR 35 HD1 TYR 35 0.501 -0.606 3.144 316 HD2 TYR 35 HD2 TYR 35 -0.366 1.940 -0.153 317 HE1 TYR 35 HE1 TYR 35 -1.662 -1.740 2.845 318 HE2 TYR 35 HE2 TYR 35 -2.531 0.814 -0.460 319 HH TYR 35 HH TYR 35 -3.572 -1.354 0.071 320 H LYS 36 H LYS 36 3.192 0.045 -0.383 321 HA LYS 36 HA LYS 36 1.960 -2.557 -0.498 322 HB2 LYS 36 HB2 LYS 36 2.098 -0.733 -2.354 323 HB3 LYS 36 HB3 LYS 36 3.689 -1.413 -2.668 324 HG2 LYS 36 HG2 LYS 36 2.576 -2.741 -4.082 325 HG3 LYS 36 HG3 LYS 36 2.190 -3.660 -2.626 326 HD2 LYS 36 HD2 LYS 36 0.019 -3.115 -2.729 327 HD3 LYS 36 HD3 LYS 36 0.372 -1.425 -3.094 328 HE2 LYS 36 HE2 LYS 36 -0.873 -2.662 -4.886 329 HE3 LYS 36 HE3 LYS 36 0.622 -1.893 -5.411 330 HZ1 LYS 36 HZ1 LYS 36 0.679 -4.701 -4.548 331 HZ2 LYS 36 HZ2 LYS 36 1.677 -3.898 -5.655 332 HZ3 LYS 36 HZ3 LYS 36 0.100 -4.328 -6.093 333 H TYR 37 H TYR 37 5.220 -1.244 -0.419 334 HA TYR 37 HA TYR 37 6.645 -3.566 -1.059 335 HB2 TYR 37 HB2 TYR 37 7.783 -1.458 -1.033 336 HB3 TYR 37 HB3 TYR 37 7.370 -1.188 0.655 337 HD1 TYR 37 HD1 TYR 37 8.424 -2.685 2.406 338 HD2 TYR 37 HD2 TYR 37 9.761 -2.584 -1.632 339 HE1 TYR 37 HE1 TYR 37 10.554 -3.701 3.093 340 HE2 TYR 37 HE2 TYR 37 11.895 -3.600 -0.955 341 HH TYR 37 HH TYR 37 13.263 -3.656 1.346 342 H ALA 38 H ALA 38 5.711 -2.276 2.125 343 HA ALA 38 HA ALA 38 6.835 -4.303 3.681 344 HB1 ALA 38 HB1 ALA 38 4.682 -2.295 4.100 345 HB2 ALA 38 HB2 ALA 38 6.206 -2.519 4.961 346 HB3 ALA 38 HB3 ALA 38 4.849 -3.604 5.271 347 H LEU 39 H LEU 39 3.879 -4.218 1.843 348 HA LEU 39 HA LEU 39 2.713 -6.524 3.097 349 HB2 LEU 39 HB2 LEU 39 2.065 -4.895 0.662 350 HB3 LEU 39 HB3 LEU 39 1.239 -6.411 0.966 351 HG LEU 39 HG LEU 39 1.298 -4.233 3.035 352 HD11 LEU 39 HD11 LEU 39 0.242 -2.967 1.489 353 HD12 LEU 39 HD12 LEU 39 -1.143 -3.940 1.983 354 HD13 LEU 39 HD13 LEU 39 -0.248 -4.357 0.522 355 HD21 LEU 39 HD21 LEU 39 -0.235 -5.469 4.139 356 HD22 LEU 39 HD22 LEU 39 0.495 -6.790 3.227 357 HD23 LEU 39 HD23 LEU 39 -0.998 -6.045 2.657 358 H ASN 40 H ASN 40 4.759 -5.900 0.331 359 HA ASN 40 HA ASN 40 4.457 -8.392 -0.959 360 HB2 ASN 40 HB2 ASN 40 6.257 -6.079 -1.150 361 HB3 ASN 40 HB3 ASN 40 7.010 -7.606 -1.600 362 HD21 ASN 40 HD21 ASN 40 7.076 -7.595 -3.737 363 HD22 ASN 40 HD22 ASN 40 5.734 -7.301 -4.784 364 H GLU 41 H GLU 41 6.416 -7.327 1.727 365 HA GLU 41 HA GLU 41 8.313 -9.375 1.790 366 HB2 GLU 41 HB2 GLU 41 7.071 -7.888 4.111 367 HB3 GLU 41 HB3 GLU 41 8.549 -8.838 4.188 368 HG2 GLU 41 HG2 GLU 41 8.251 -6.522 2.308 369 HG3 GLU 41 HG3 GLU 41 8.769 -6.311 3.981 370 H ASN 42 H ASN 42 4.954 -9.362 2.671 371 HA ASN 42 HA ASN 42 4.839 -11.525 4.417 372 HB2 ASN 42 HB2 ASN 42 2.860 -10.501 2.382 373 HB3 ASN 42 HB3 ASN 42 2.485 -11.820 3.488 374 HD21 ASN 42 HD21 ASN 42 2.276 -11.397 5.683 375 HD22 ASN 42 HD22 ASN 42 2.060 -9.795 6.292 376 H SER 43 H SER 43 5.200 -11.432 0.947 377 HA SER 43 HA SER 43 5.305 -14.379 0.925 378 HB2 SER 43 HB2 SER 43 3.403 -13.780 -0.372 379 HB3 SER 43 HB3 SER 43 4.270 -12.471 -1.173 380 HG SER 43 HG SER 43 4.494 -15.250 -1.559 381 H ASN 44 H ASN 44 6.994 -15.356 -0.136 382 HA ASN 44 HA ASN 44 8.968 -13.642 -1.458 383 HB2 ASN 44 HB2 ASN 44 9.327 -14.529 1.139 384 HB3 ASN 44 HB3 ASN 44 10.215 -15.714 0.186 385 HD21 ASN 44 HD21 ASN 44 12.176 -14.981 1.016 386 HD22 ASN 44 HD22 ASN 44 12.888 -13.493 0.499 387 H ASP 45 H ASP 45 7.017 -15.542 -2.463 388 HA ASP 45 HA ASP 45 8.606 -17.842 -3.286 389 HB2 ASP 45 HB2 ASP 45 5.724 -17.129 -3.321 390 HB3 ASP 45 HB3 ASP 45 6.290 -18.190 -4.607 391 H ARG 46 H ARG 46 9.407 -18.164 -5.296 392 HA ARG 46 HA ARG 46 9.405 -15.879 -7.093 393 HB2 ARG 46 HB2 ARG 46 11.100 -18.263 -6.678 394 HB3 ARG 46 HB3 ARG 46 10.953 -17.720 -8.345 395 HG2 ARG 46 HG2 ARG 46 12.758 -16.498 -7.719 396 HG3 ARG 46 HG3 ARG 46 11.482 -15.374 -7.245 397 HD2 ARG 46 HD2 ARG 46 11.710 -15.871 -4.988 398 HD3 ARG 46 HD3 ARG 46 12.499 -17.414 -5.306 399 HE ARG 46 HE ARG 46 14.188 -15.465 -6.292 400 HH11 ARG 46 HH11 ARG 46 12.830 -16.329 -3.196 401 HH12 ARG 46 HH12 ARG 46 14.177 -15.718 -2.295 402 HH21 ARG 46 HH21 ARG 46 15.960 -14.661 -5.109 403 HH22 ARG 46 HH22 ARG 46 15.953 -14.770 -3.380 404 H SER 47 H SER 47 8.360 -19.245 -7.037 405 HA SER 47 HA SER 47 7.048 -18.831 -9.643 406 HB2 SER 47 HB2 SER 47 6.954 -21.397 -9.646 407 HB3 SER 47 HB3 SER 47 8.535 -20.652 -9.882 408 HG SER 47 HG SER 47 9.136 -21.246 -7.889 409 H GLU 48 H GLU 48 5.135 -17.930 -8.938 410 HA GLU 48 HA GLU 48 3.421 -19.704 -7.325 411 HB2 GLU 48 HB2 GLU 48 4.199 -17.538 -6.201 412 HB3 GLU 48 HB3 GLU 48 3.166 -16.702 -7.353 413 HG2 GLU 48 HG2 GLU 48 1.240 -17.442 -6.381 414 HG3 GLU 48 HG3 GLU 48 1.988 -18.911 -5.757 415 H HIS 49 H HIS 49 3.502 -17.172 -9.805 416 HA HIS 49 HA HIS 49 1.329 -18.504 -11.202 417 HB2 HIS 49 HB2 HIS 49 0.181 -16.230 -11.503 418 HB3 HIS 49 HB3 HIS 49 -0.016 -17.033 -9.949 419 HD1 HIS 49 HD1 HIS 49 1.433 -14.007 -11.538 420 HD2 HIS 49 HD2 HIS 49 1.345 -15.801 -7.791 421 HE1 HIS 49 HE1 HIS 49 2.258 -12.255 -9.935 422 HE2 HIS 49 HE2 HIS 49 2.282 -13.392 -7.688 423 H HIS 50 H HIS 50 2.421 -18.887 -13.039 424 HA HIS 50 HA HIS 50 3.288 -16.582 -14.599 425 HB2 HIS 50 HB2 HIS 50 5.278 -17.502 -13.319 426 HB3 HIS 50 HB3 HIS 50 5.107 -18.970 -14.274 427 HD1 HIS 50 HD1 HIS 50 6.603 -19.011 -16.231 428 HD2 HIS 50 HD2 HIS 50 5.503 -15.133 -15.224 429 HE1 HIS 50 HE1 HIS 50 7.804 -17.526 -17.865 430 HE2 HIS 50 HE2 HIS 50 7.051 -15.190 -17.294 431 H LYS 51 H LYS 51 2.014 -16.790 -16.325 432 HA LYS 51 HA LYS 51 2.126 -19.295 -17.830 433 HB2 LYS 51 HB2 LYS 51 -0.325 -18.019 -16.705 434 HB3 LYS 51 HB3 LYS 51 -0.434 -18.785 -18.284 435 HG2 LYS 51 HG2 LYS 51 -0.286 -20.862 -17.437 436 HG3 LYS 51 HG3 LYS 51 0.873 -20.388 -16.193 437 HD2 LYS 51 HD2 LYS 51 -0.736 -20.009 -14.666 438 HD3 LYS 51 HD3 LYS 51 -1.818 -19.268 -15.847 439 HE2 LYS 51 HE2 LYS 51 -2.924 -21.182 -16.201 440 HE3 LYS 51 HE3 LYS 51 -1.442 -22.135 -16.248 441 HZ1 LYS 51 HZ1 LYS 51 -2.841 -22.786 -14.397 442 HZ2 LYS 51 HZ2 LYS 51 -2.830 -21.207 -13.791 443 HZ3 LYS 51 HZ3 LYS 51 -1.400 -22.109 -13.828 444 H LYS 52 H LYS 52 3.293 -16.612 -18.141 445 HA LYS 52 HA LYS 52 2.623 -16.238 -20.912 446 HB2 LYS 52 HB2 LYS 52 1.628 -14.382 -18.833 447 HB3 LYS 52 HB3 LYS 52 2.371 -13.631 -20.238 448 HG2 LYS 52 HG2 LYS 52 0.826 -14.929 -21.681 449 HG3 LYS 52 HG3 LYS 52 0.028 -15.518 -20.222 450 HD2 LYS 52 HD2 LYS 52 -1.304 -13.726 -20.494 451 HD3 LYS 52 HD3 LYS 52 0.040 -12.836 -19.777 452 HE2 LYS 52 HE2 LYS 52 0.631 -13.085 -22.514 453 HE3 LYS 52 HE3 LYS 52 -1.071 -12.637 -22.415 454 HZ1 LYS 52 HZ1 LYS 52 -0.197 -10.888 -20.741 455 HZ2 LYS 52 HZ2 LYS 52 -0.028 -10.607 -22.401 456 HZ3 LYS 52 HZ3 LYS 52 1.293 -11.150 -21.496 457 HA PRO 53 HA PRO 53 6.847 -14.987 -21.046 458 HB2 PRO 53 HB2 PRO 53 6.875 -13.331 -23.196 459 HB3 PRO 53 HB3 PRO 53 6.699 -15.086 -23.338 460 HG2 PRO 53 HG2 PRO 53 4.594 -12.959 -23.421 461 HG3 PRO 53 HG3 PRO 53 4.777 -14.391 -24.449 462 HD2 PRO 53 HD2 PRO 53 3.032 -14.299 -22.382 463 HD3 PRO 53 HD3 PRO 53 3.847 -15.796 -22.877 464 H ARG 54 H ARG 54 8.081 -13.521 -20.029 465 HA ARG 54 HA ARG 54 7.041 -10.784 -19.726 466 HB2 ARG 54 HB2 ARG 54 7.191 -12.635 -17.681 467 HB3 ARG 54 HB3 ARG 54 8.675 -11.713 -17.485 468 HG2 ARG 54 HG2 ARG 54 7.146 -9.644 -17.661 469 HG3 ARG 54 HG3 ARG 54 5.840 -10.779 -17.319 470 HD2 ARG 54 HD2 ARG 54 7.145 -11.508 -15.298 471 HD3 ARG 54 HD3 ARG 54 8.241 -10.161 -15.607 472 HE ARG 54 HE ARG 54 5.792 -8.993 -15.532 473 HH11 ARG 54 HH11 ARG 54 7.532 -11.089 -13.351 474 HH12 ARG 54 HH12 ARG 54 6.790 -10.435 -11.930 475 HH21 ARG 54 HH21 ARG 54 4.814 -8.131 -13.665 476 HH22 ARG 54 HH22 ARG 54 5.246 -8.756 -12.107 477 H ILE 55 H ILE 55 8.371 -9.633 -20.994 478 HA ILE 55 HA ILE 55 11.052 -10.250 -21.548 479 HB ILE 55 HB ILE 55 11.158 -7.830 -22.308 480 HG12 ILE 55 HG12 ILE 55 8.329 -7.431 -22.444 481 HG13 ILE 55 HG13 ILE 55 8.779 -7.695 -20.762 482 HG21 ILE 55 HG21 ILE 55 9.206 -8.366 -24.054 483 HG22 ILE 55 HG22 ILE 55 9.401 -9.965 -23.336 484 HG23 ILE 55 HG23 ILE 55 10.778 -9.166 -24.093 485 HD11 ILE 55 HD11 ILE 55 8.787 -5.330 -21.358 486 HD12 ILE 55 HD12 ILE 55 10.001 -5.647 -22.597 487 HD13 ILE 55 HD13 ILE 55 10.393 -5.890 -20.895 488 H ASP 56 H ASP 56 12.775 -10.096 -20.282 489 HA ASP 56 HA ASP 56 12.727 -8.157 -18.065 490 HB2 ASP 56 HB2 ASP 56 13.018 -10.849 -17.851 491 HB3 ASP 56 HB3 ASP 56 14.703 -10.352 -17.971 492 H ASP 57 H ASP 57 15.042 -9.838 -20.198 493 HA ASP 57 HA ASP 57 16.936 -9.133 -21.243 494 HB2 ASP 57 HB2 ASP 57 15.278 -7.289 -21.958 495 HB3 ASP 57 HB3 ASP 57 16.089 -6.283 -20.761 496 H SER 58 H SER 58 19.010 -8.851 -20.615 497 HA SER 58 HA SER 58 19.435 -7.839 -17.888 498 HB2 SER 58 HB2 SER 58 20.133 -10.259 -18.861 499 HB3 SER 58 HB3 SER 58 21.596 -9.352 -19.241 500 HG SER 58 HG SER 58 21.578 -10.340 -17.125 501 H SER 59 H SER 59 21.109 -7.964 -21.036 502 HA SER 59 HA SER 59 21.797 -5.167 -20.823 503 HB2 SER 59 HB2 SER 59 23.859 -7.344 -20.576 504 HB3 SER 59 HB3 SER 59 24.281 -5.771 -21.255 505 HG SER 59 HG SER 59 23.114 -6.212 -18.703 506 H ASP 60 H ASP 60 22.491 -8.196 -22.557 507 HA ASP 60 HA ASP 60 21.616 -7.010 -25.038 508 HB2 ASP 60 HB2 ASP 60 24.081 -6.386 -24.733 509 HB3 ASP 60 HB3 ASP 60 24.426 -8.098 -24.958 510 H LEU 61 H LEU 61 23.288 -9.760 -23.537 511 HA LEU 61 HA LEU 61 21.347 -11.638 -24.293 512 HB2 LEU 61 HB2 LEU 61 22.556 -11.009 -26.520 513 HB3 LEU 61 HB3 LEU 61 23.839 -12.034 -25.904 514 HG LEU 61 HG LEU 61 21.913 -13.789 -25.614 515 HD11 LEU 61 HD11 LEU 61 20.042 -12.416 -26.139 516 HD12 LEU 61 HD12 LEU 61 20.257 -13.548 -27.474 517 HD13 LEU 61 HD13 LEU 61 20.785 -11.873 -27.643 518 HD21 LEU 61 HD21 LEU 61 23.936 -13.539 -27.327 519 HD22 LEU 61 HD22 LEU 61 22.599 -13.369 -28.465 520 HD23 LEU 61 HD23 LEU 61 22.729 -14.818 -27.466 521 H LEU 62 H LEU 62 22.851 -10.967 -21.996 522 HA LEU 62 HA LEU 62 24.359 -13.466 -21.582 523 HB2 LEU 62 HB2 LEU 62 25.447 -10.991 -21.474 524 HB3 LEU 62 HB3 LEU 62 24.932 -11.173 -19.808 525 HG LEU 62 HG LEU 62 26.372 -13.506 -20.837 526 HD11 LEU 62 HD11 LEU 62 28.592 -12.277 -20.570 527 HD12 LEU 62 HD12 LEU 62 27.664 -10.798 -20.827 528 HD13 LEU 62 HD13 LEU 62 27.708 -12.042 -22.079 529 HD21 LEU 62 HD21 LEU 62 25.716 -12.495 -18.398 530 HD22 LEU 62 HD22 LEU 62 27.401 -11.998 -18.543 531 HD23 LEU 62 HD23 LEU 62 26.969 -13.703 -18.683 532 H LYS 63 H LYS 63 24.460 -14.080 -19.211 533 HA LYS 63 HA LYS 63 21.871 -13.512 -17.920 534 HB2 LYS 63 HB2 LYS 63 23.230 -16.069 -18.519 535 HB3 LYS 63 HB3 LYS 63 22.505 -15.948 -16.922 536 HG2 LYS 63 HG2 LYS 63 20.385 -15.204 -18.112 537 HG3 LYS 63 HG3 LYS 63 21.163 -15.760 -19.596 538 HD2 LYS 63 HD2 LYS 63 19.832 -17.561 -18.812 539 HD3 LYS 63 HD3 LYS 63 21.508 -17.978 -18.449 540 HE2 LYS 63 HE2 LYS 63 20.027 -18.495 -16.573 541 HE3 LYS 63 HE3 LYS 63 21.203 -17.254 -16.144 542 HZ1 LYS 63 HZ1 LYS 63 19.586 -15.600 -16.195 543 HZ2 LYS 63 HZ2 LYS 63 18.794 -16.898 -15.452 544 HZ3 LYS 63 HZ3 LYS 63 18.492 -16.542 -17.077 545 H THR 64 H THR 64 21.862 -13.838 -15.559 546 HA THR 64 HA THR 64 24.412 -13.775 -14.197 547 HB THR 64 HB THR 64 22.640 -11.449 -13.599 548 HG1 THR 64 HG1 THR 64 22.910 -11.322 -15.839 549 HG21 THR 64 HG21 THR 64 24.341 -11.055 -12.234 550 HG22 THR 64 HG22 THR 64 25.261 -10.617 -13.672 551 HG23 THR 64 HG23 THR 64 25.362 -12.255 -13.026 552 H ASP 65 H ASP 65 20.912 -13.248 -13.905 553 HA ASP 65 HA ASP 65 20.893 -14.155 -11.161 554 HB2 ASP 65 HB2 ASP 65 18.406 -13.883 -11.392 555 HB3 ASP 65 HB3 ASP 65 19.331 -12.424 -11.731 556 H GLU 66 H GLU 66 19.254 -15.866 -10.530 557 HA GLU 66 HA GLU 66 19.459 -18.133 -12.403 558 HB2 GLU 66 HB2 GLU 66 20.132 -17.874 -9.598 559 HB3 GLU 66 HB3 GLU 66 18.962 -19.162 -9.846 560 HG2 GLU 66 HG2 GLU 66 21.492 -18.939 -11.447 561 HG3 GLU 66 HG3 GLU 66 21.400 -19.812 -9.917 562 H ILE 67 H ILE 67 17.756 -19.915 -11.540 563 HA ILE 67 HA ILE 67 15.151 -18.535 -11.508 564 HB ILE 67 HB ILE 67 15.709 -21.306 -12.570 565 HG12 ILE 67 HG12 ILE 67 14.982 -19.151 -14.450 566 HG13 ILE 67 HG13 ILE 67 16.588 -19.007 -13.745 567 HG21 ILE 67 HG21 ILE 67 13.345 -19.772 -13.427 568 HG22 ILE 67 HG22 ILE 67 13.349 -20.304 -11.744 569 HG23 ILE 67 HG23 ILE 67 13.512 -21.486 -13.044 570 HD11 ILE 67 HD11 ILE 67 17.339 -20.468 -15.216 571 HD12 ILE 67 HD12 ILE 67 15.714 -20.670 -15.871 572 HD13 ILE 67 HD13 ILE 67 16.263 -21.693 -14.543 573 H1 GLY 68 H1 GLY 68 16.116 18.897 18.687 574 H2 GLY 68 H2 GLY 68 17.255 18.514 19.878 575 H3 GLY 68 H3 GLY 68 15.740 19.122 20.321 576 HA2 GLY 68 HA2 GLY 68 14.733 17.103 19.236 577 HA3 GLY 68 HA3 GLY 68 16.370 16.464 19.178 578 H HIS 69 H HIS 69 13.878 17.683 21.374 579 HA HIS 69 HA HIS 69 15.207 16.448 23.652 580 HB2 HIS 69 HB2 HIS 69 13.895 18.743 23.555 581 HB3 HIS 69 HB3 HIS 69 12.504 17.706 23.852 582 HD1 HIS 69 HD1 HIS 69 14.730 19.716 25.654 583 HD2 HIS 69 HD2 HIS 69 13.266 15.869 26.223 584 HE1 HIS 69 HE1 HIS 69 15.054 19.229 28.099 585 HE2 HIS 69 HE2 HIS 69 14.080 16.930 28.437 586 H MET 70 H MET 70 15.008 14.265 23.491 587 HA MET 70 HA MET 70 14.054 12.205 23.607 588 HB2 MET 70 HB2 MET 70 12.193 13.993 24.986 589 HB3 MET 70 HB3 MET 70 11.420 12.546 24.353 590 HG2 MET 70 HG2 MET 70 13.406 11.314 25.487 591 HG3 MET 70 HG3 MET 70 13.553 12.803 26.419 592 HE1 MET 70 HE1 MET 70 11.734 11.219 29.283 593 HE2 MET 70 HE2 MET 70 12.734 12.581 28.776 594 HE3 MET 70 HE3 MET 70 13.260 10.929 28.447 595 H MET 71 H MET 71 14.109 11.719 21.427 596 HA MET 71 HA MET 71 11.629 12.228 19.920 597 HB2 MET 71 HB2 MET 71 14.491 12.181 19.145 598 HB3 MET 71 HB3 MET 71 13.356 11.496 17.989 599 HG2 MET 71 HG2 MET 71 12.500 13.494 17.441 600 HG3 MET 71 HG3 MET 71 12.576 14.097 19.095 601 HE1 MET 71 HE1 MET 71 13.358 16.113 16.597 602 HE2 MET 71 HE2 MET 71 13.575 14.583 15.746 603 HE3 MET 71 HE3 MET 71 14.914 15.727 15.862 604 H SER 72 H SER 72 10.347 10.527 19.719 605 HA SER 72 HA SER 72 11.491 7.838 19.959 606 HB2 SER 72 HB2 SER 72 8.794 9.015 20.471 607 HB3 SER 72 HB3 SER 72 8.895 7.310 20.034 608 HG SER 72 HG SER 72 10.542 7.218 21.780 609 H LYS 73 H LYS 73 12.044 6.952 18.081 610 HA LYS 73 HA LYS 73 10.105 7.039 15.879 611 HB2 LYS 73 HB2 LYS 73 13.058 7.629 15.703 612 HB3 LYS 73 HB3 LYS 73 12.099 7.176 14.303 613 HG2 LYS 73 HG2 LYS 73 10.882 9.333 15.813 614 HG3 LYS 73 HG3 LYS 73 12.509 9.730 15.256 615 HD2 LYS 73 HD2 LYS 73 10.738 8.422 13.287 616 HD3 LYS 73 HD3 LYS 73 10.299 10.065 13.757 617 HE2 LYS 73 HE2 LYS 73 13.139 9.822 13.262 618 HE3 LYS 73 HE3 LYS 73 12.196 9.312 11.864 619 HZ1 LYS 73 HZ1 LYS 73 11.441 11.806 13.195 620 HZ2 LYS 73 HZ2 LYS 73 11.349 11.386 11.559 621 HZ3 LYS 73 HZ3 LYS 73 12.837 11.813 12.240 622 H LEU 74 H LEU 74 9.532 5.028 15.419 623 HA LEU 74 HA LEU 74 11.585 2.941 15.349 624 HB2 LEU 74 HB2 LEU 74 9.035 2.896 16.926 625 HB3 LEU 74 HB3 LEU 74 9.749 1.404 16.346 626 HG LEU 74 HG LEU 74 11.327 3.350 18.005 627 HD11 LEU 74 HD11 LEU 74 9.130 2.566 19.087 628 HD12 LEU 74 HD12 LEU 74 10.629 2.363 19.992 629 HD13 LEU 74 HD13 LEU 74 9.904 0.984 19.166 630 HD21 LEU 74 HD21 LEU 74 11.692 0.412 18.075 631 HD22 LEU 74 HD22 LEU 74 12.885 1.707 18.165 632 HD23 LEU 74 HD23 LEU 74 12.191 1.254 16.608 633 H PHE 75 H PHE 75 10.344 4.392 13.224 634 HA PHE 75 HA PHE 75 9.131 2.139 11.805 635 HB2 PHE 75 HB2 PHE 75 7.428 3.647 10.802 636 HB3 PHE 75 HB3 PHE 75 7.223 3.437 12.538 637 HD1 PHE 75 HD1 PHE 75 8.034 5.256 14.077 638 HD2 PHE 75 HD2 PHE 75 7.724 5.771 9.863 639 HE1 PHE 75 HE1 PHE 75 8.068 7.697 14.376 640 HE2 PHE 75 HE2 PHE 75 7.758 8.213 10.156 641 HZ PHE 75 HZ PHE 75 7.931 9.180 12.415 642 H LEU 76 H LEU 76 10.321 5.478 11.515 643 HA LEU 76 HA LEU 76 10.927 5.244 8.740 644 HB2 LEU 76 HB2 LEU 76 11.149 7.271 10.827 645 HB3 LEU 76 HB3 LEU 76 12.494 7.310 9.704 646 HG LEU 76 HG LEU 76 9.743 7.206 8.570 647 HD11 LEU 76 HD11 LEU 76 9.847 8.922 10.478 648 HD12 LEU 76 HD12 LEU 76 9.278 9.462 8.899 649 HD13 LEU 76 HD13 LEU 76 10.925 9.826 9.415 650 HD21 LEU 76 HD21 LEU 76 10.751 8.528 6.827 651 HD22 LEU 76 HD22 LEU 76 11.777 7.133 7.163 652 HD23 LEU 76 HD23 LEU 76 12.224 8.725 7.778 653 H ASP 77 H ASP 77 12.508 4.182 11.566 654 HA ASP 77 HA ASP 77 15.134 4.130 10.286 655 HB2 ASP 77 HB2 ASP 77 14.139 3.895 13.069 656 HB3 ASP 77 HB3 ASP 77 15.579 2.964 12.670 657 H GLU 78 H GLU 78 12.899 2.444 9.357 658 HA GLU 78 HA GLU 78 14.307 -0.112 9.506 659 HB2 GLU 78 HB2 GLU 78 11.496 0.397 10.370 660 HB3 GLU 78 HB3 GLU 78 11.861 -1.126 9.571 661 HG2 GLU 78 HG2 GLU 78 13.852 -0.736 11.523 662 HG3 GLU 78 HG3 GLU 78 12.307 -0.357 12.282 663 H LEU 79 H LEU 79 11.551 1.610 8.051 664 HA LEU 79 HA LEU 79 11.202 0.069 5.786 665 HB2 LEU 79 HB2 LEU 79 10.508 2.318 4.713 666 HB3 LEU 79 HB3 LEU 79 9.592 1.708 6.075 667 HG LEU 79 HG LEU 79 10.653 3.267 7.571 668 HD11 LEU 79 HD11 LEU 79 12.877 3.389 6.841 669 HD12 LEU 79 HD12 LEU 79 12.220 4.999 6.552 670 HD13 LEU 79 HD13 LEU 79 12.407 3.869 5.210 671 HD21 LEU 79 HD21 LEU 79 10.165 5.442 6.094 672 HD22 LEU 79 HD22 LEU 79 8.887 4.426 6.761 673 HD23 LEU 79 HD23 LEU 79 9.385 4.228 5.082 674 HA PRO 80 HA PRO 80 14.474 0.383 2.854 675 HB2 PRO 80 HB2 PRO 80 12.725 2.217 1.253 676 HB3 PRO 80 HB3 PRO 80 13.690 0.836 0.715 677 HG2 PRO 80 HG2 PRO 80 11.060 0.599 1.052 678 HG3 PRO 80 HG3 PRO 80 12.159 -0.715 1.506 679 HD2 PRO 80 HD2 PRO 80 10.648 1.166 3.230 680 HD3 PRO 80 HD3 PRO 80 11.195 -0.487 3.569 681 H GLU 81 H GLU 81 15.874 1.583 4.177 682 HA GLU 81 HA GLU 81 15.853 4.234 4.811 683 HB2 GLU 81 HB2 GLU 81 18.259 4.098 5.076 684 HB3 GLU 81 HB3 GLU 81 17.514 2.604 5.629 685 HG2 GLU 81 HG2 GLU 81 18.080 1.581 3.438 686 HG3 GLU 81 HG3 GLU 81 18.957 3.055 3.029 687 H SER 82 H SER 82 16.601 2.814 1.718 688 HA SER 82 HA SER 82 17.918 4.994 0.529 689 HB2 SER 82 HB2 SER 82 17.639 2.580 -0.349 690 HB3 SER 82 HB3 SER 82 16.095 3.139 -0.993 691 HG SER 82 HG SER 82 18.535 4.471 -1.517 692 H LEU 83 H LEU 83 14.484 4.119 0.665 693 HA LEU 83 HA LEU 83 13.675 6.471 -0.787 694 HB2 LEU 83 HB2 LEU 83 12.092 4.397 0.730 695 HB3 LEU 83 HB3 LEU 83 11.371 5.707 -0.185 696 HG LEU 83 HG LEU 83 13.257 3.863 -1.581 697 HD11 LEU 83 HD11 LEU 83 10.407 3.105 -1.608 698 HD12 LEU 83 HD12 LEU 83 11.304 2.719 -0.139 699 HD13 LEU 83 HD13 LEU 83 11.854 2.101 -1.696 700 HD21 LEU 83 HD21 LEU 83 11.214 4.330 -3.256 701 HD22 LEU 83 HD22 LEU 83 12.609 5.399 -3.105 702 HD23 LEU 83 HD23 LEU 83 11.113 5.777 -2.252 703 H SER 84 H SER 84 13.931 5.467 2.554 704 HA SER 84 HA SER 84 12.357 7.266 3.886 705 HB2 SER 84 HB2 SER 84 13.675 5.506 4.998 706 HB3 SER 84 HB3 SER 84 15.151 6.417 4.684 707 HG SER 84 HG SER 84 14.741 7.477 6.437 708 H ARG 85 H ARG 85 15.329 7.891 2.185 709 HA ARG 85 HA ARG 85 16.067 10.334 3.305 710 HB2 ARG 85 HB2 ARG 85 16.629 8.861 0.846 711 HB3 ARG 85 HB3 ARG 85 16.694 10.603 0.624 712 HG2 ARG 85 HG2 ARG 85 18.832 10.297 1.258 713 HG3 ARG 85 HG3 ARG 85 18.127 10.406 2.873 714 HD2 ARG 85 HD2 ARG 85 18.527 8.244 3.326 715 HD3 ARG 85 HD3 ARG 85 18.065 7.719 1.707 716 HE ARG 85 HE ARG 85 20.473 8.945 1.354 717 HH11 ARG 85 HH11 ARG 85 19.326 6.343 3.377 718 HH12 ARG 85 HH12 ARG 85 20.851 5.523 3.404 719 HH21 ARG 85 HH21 ARG 85 22.480 7.868 1.387 720 HH22 ARG 85 HH22 ARG 85 22.642 6.390 2.274 721 H LYS 86 H LYS 86 13.807 9.630 0.670 722 HA LYS 86 HA LYS 86 13.166 12.408 0.269 723 HB2 LYS 86 HB2 LYS 86 12.073 9.836 -0.848 724 HB3 LYS 86 HB3 LYS 86 11.335 11.390 -1.209 725 HG2 LYS 86 HG2 LYS 86 12.839 11.801 -2.780 726 HG3 LYS 86 HG3 LYS 86 14.165 11.533 -1.646 727 HD2 LYS 86 HD2 LYS 86 12.799 9.105 -2.611 728 HD3 LYS 86 HD3 LYS 86 13.709 10.005 -3.827 729 HE2 LYS 86 HE2 LYS 86 15.381 9.932 -1.604 730 HE3 LYS 86 HE3 LYS 86 14.662 8.325 -1.672 731 HZ1 LYS 86 HZ1 LYS 86 16.515 9.605 -3.505 732 HZ2 LYS 86 HZ2 LYS 86 15.293 8.684 -4.227 733 HZ3 LYS 86 HZ3 LYS 86 16.340 7.971 -3.107 734 H ILE 87 H ILE 87 12.135 9.977 2.419 735 HA ILE 87 HA ILE 87 9.449 10.947 2.774 736 HB ILE 87 HB ILE 87 11.009 9.146 4.626 737 HG12 ILE 87 HG12 ILE 87 9.259 8.408 2.270 738 HG13 ILE 87 HG13 ILE 87 11.009 8.230 2.346 739 HG21 ILE 87 HG21 ILE 87 9.176 9.455 5.871 740 HG22 ILE 87 HG22 ILE 87 8.388 8.384 4.713 741 HG23 ILE 87 HG23 ILE 87 8.259 10.133 4.526 742 HD11 ILE 87 HD11 ILE 87 10.776 6.224 3.236 743 HD12 ILE 87 HD12 ILE 87 9.024 6.390 3.126 744 HD13 ILE 87 HD13 ILE 87 9.869 6.905 4.586 745 H GLY 88 H GLY 88 12.441 11.044 4.707 746 HA2 GLY 88 HA2 GLY 88 11.487 12.479 6.882 747 HA3 GLY 88 HA3 GLY 88 13.149 12.514 6.318 748 H THR 89 H THR 89 12.204 13.630 3.679 749 HA THR 89 HA THR 89 12.375 16.393 4.468 750 HB THR 89 HB THR 89 13.623 15.682 2.528 751 HG1 THR 89 HG1 THR 89 12.928 17.766 2.328 752 HG21 THR 89 HG21 THR 89 10.972 14.826 1.415 753 HG22 THR 89 HG22 THR 89 12.431 13.860 1.641 754 HG23 THR 89 HG23 THR 89 12.391 15.122 0.411 755 H VAL 90 H VAL 90 9.925 14.292 3.026 756 HA VAL 90 HA VAL 90 8.034 16.443 2.708 757 HB VAL 90 HB VAL 90 8.025 14.514 1.178 758 HG11 VAL 90 HG11 VAL 90 7.104 12.362 1.934 759 HG12 VAL 90 HG12 VAL 90 7.102 12.961 3.592 760 HG13 VAL 90 HG13 VAL 90 8.627 12.754 2.732 761 HG21 VAL 90 HG21 VAL 90 5.979 15.911 1.691 762 HG22 VAL 90 HG22 VAL 90 5.444 14.583 2.719 763 HG23 VAL 90 HG23 VAL 90 5.676 14.321 0.990 764 H VAL 91 H VAL 91 8.561 13.815 5.010 765 HA VAL 91 HA VAL 91 6.183 13.971 6.442 766 HB VAL 91 HB VAL 91 8.921 13.394 7.587 767 HG11 VAL 91 HG11 VAL 91 7.634 12.038 9.224 768 HG12 VAL 91 HG12 VAL 91 6.148 12.710 8.552 769 HG13 VAL 91 HG13 VAL 91 7.318 13.768 9.338 770 HG21 VAL 91 HG21 VAL 91 7.159 11.146 6.948 771 HG22 VAL 91 HG22 VAL 91 8.888 11.353 6.665 772 HG23 VAL 91 HG23 VAL 91 7.720 12.046 5.540 773 H ARG 92 H ARG 92 8.971 16.071 6.480 774 HA ARG 92 HA ARG 92 8.647 17.370 8.912 775 HB2 ARG 92 HB2 ARG 92 10.155 17.758 6.541 776 HB3 ARG 92 HB3 ARG 92 9.378 19.291 6.912 777 HG2 ARG 92 HG2 ARG 92 10.746 19.683 8.620 778 HG3 ARG 92 HG3 ARG 92 10.536 18.055 9.266 779 HD2 ARG 92 HD2 ARG 92 12.696 17.795 8.703 780 HD3 ARG 92 HD3 ARG 92 12.061 17.559 7.076 781 HE ARG 92 HE ARG 92 12.954 19.580 6.464 782 HH11 ARG 92 HH11 ARG 92 12.974 19.331 9.947 783 HH12 ARG 92 HH12 ARG 92 13.930 20.758 10.167 784 HH21 ARG 92 HH21 ARG 92 14.213 21.455 6.754 785 HH22 ARG 92 HH22 ARG 92 14.633 21.964 8.355 786 H VAL 93 H VAL 93 6.925 17.781 5.887 787 HA VAL 93 HA VAL 93 5.501 20.127 6.762 788 HB VAL 93 HB VAL 93 4.924 18.330 4.401 789 HG11 VAL 93 HG11 VAL 93 3.748 20.840 5.410 790 HG12 VAL 93 HG12 VAL 93 3.028 19.559 4.433 791 HG13 VAL 93 HG13 VAL 93 4.059 20.772 3.676 792 HG21 VAL 93 HG21 VAL 93 6.954 19.076 3.745 793 HG22 VAL 93 HG22 VAL 93 6.924 20.453 4.846 794 HG23 VAL 93 HG23 VAL 93 6.040 20.524 3.322 795 H LEU 94 H LEU 94 4.744 16.692 6.291 796 HA LEU 94 HA LEU 94 2.279 17.092 7.852 797 HB2 LEU 94 HB2 LEU 94 2.804 15.699 5.358 798 HB3 LEU 94 HB3 LEU 94 2.045 14.650 6.540 799 HG LEU 94 HG LEU 94 0.254 16.371 6.818 800 HD11 LEU 94 HD11 LEU 94 0.123 17.915 4.728 801 HD12 LEU 94 HD12 LEU 94 1.872 17.693 4.691 802 HD13 LEU 94 HD13 LEU 94 1.102 18.390 6.116 803 HD21 LEU 94 HD21 LEU 94 0.465 14.372 5.011 804 HD22 LEU 94 HD22 LEU 94 0.172 15.745 3.946 805 HD23 LEU 94 HD23 LEU 94 -0.978 15.361 5.227 806 HA PRO 95 HA PRO 95 5.093 14.287 10.278 807 HB2 PRO 95 HB2 PRO 95 5.069 15.670 12.585 808 HB3 PRO 95 HB3 PRO 95 6.165 16.082 11.262 809 HG2 PRO 95 HG2 PRO 95 3.565 17.352 12.033 810 HG3 PRO 95 HG3 PRO 95 5.089 18.125 11.555 811 HD2 PRO 95 HD2 PRO 95 2.983 17.772 9.853 812 HD3 PRO 95 HD3 PRO 95 4.673 17.839 9.317 813 H SER 96 H SER 96 1.889 15.296 10.333 814 HA SER 96 HA SER 96 1.227 13.466 12.541 815 HB2 SER 96 HB2 SER 96 -0.860 15.302 11.514 816 HB3 SER 96 HB3 SER 96 -0.482 14.836 13.172 817 HG SER 96 HG SER 96 0.828 16.485 13.340 818 H SER 97 H SER 97 0.568 14.316 9.199 819 HA SER 97 HA SER 97 -1.585 12.502 8.819 820 HB2 SER 97 HB2 SER 97 -1.449 14.221 7.220 821 HB3 SER 97 HB3 SER 97 0.272 13.951 6.949 822 HG SER 97 HG SER 97 -1.200 13.129 5.287 823 H LEU 98 H LEU 98 1.907 12.256 8.432 824 HA LEU 98 HA LEU 98 2.005 9.808 7.091 825 HB2 LEU 98 HB2 LEU 98 4.257 9.870 7.412 826 HB3 LEU 98 HB3 LEU 98 3.869 11.548 7.718 827 HG LEU 98 HG LEU 98 5.398 10.985 9.392 828 HD11 LEU 98 HD11 LEU 98 2.812 11.661 10.100 829 HD12 LEU 98 HD12 LEU 98 4.251 11.792 11.108 830 HD13 LEU 98 HD13 LEU 98 3.235 10.356 11.208 831 HD21 LEU 98 HD21 LEU 98 4.006 8.632 10.479 832 HD22 LEU 98 HD22 LEU 98 5.730 8.947 10.286 833 HD23 LEU 98 HD23 LEU 98 4.771 8.410 8.907 834 H GLU 99 H GLU 99 1.100 10.502 10.319 835 HA GLU 99 HA GLU 99 1.780 7.992 11.482 836 HB2 GLU 99 HB2 GLU 99 0.674 10.454 12.358 837 HB3 GLU 99 HB3 GLU 99 -0.460 9.188 12.808 838 HG2 GLU 99 HG2 GLU 99 0.940 9.364 14.647 839 HG3 GLU 99 HG3 GLU 99 1.573 7.970 13.771 840 H ILE 100 H ILE 100 -0.955 9.222 9.696 841 HA ILE 100 HA ILE 100 -2.762 7.122 10.354 842 HB ILE 100 HB ILE 100 -2.812 8.871 7.893 843 HG12 ILE 100 HG12 ILE 100 -4.204 9.371 10.529 844 HG13 ILE 100 HG13 ILE 100 -2.676 10.125 10.085 845 HG21 ILE 100 HG21 ILE 100 -4.274 6.808 7.994 846 HG22 ILE 100 HG22 ILE 100 -5.104 8.338 7.720 847 HG23 ILE 100 HG23 ILE 100 -5.131 7.595 9.320 848 HD11 ILE 100 HD11 ILE 100 -4.491 11.641 9.665 849 HD12 ILE 100 HD12 ILE 100 -5.310 10.439 8.668 850 HD13 ILE 100 HD13 ILE 100 -3.782 11.135 8.131 851 H PHE 101 H PHE 101 -0.409 7.645 7.789 852 HA PHE 101 HA PHE 101 -1.185 5.360 6.254 853 HB2 PHE 101 HB2 PHE 101 1.462 6.818 6.185 854 HB3 PHE 101 HB3 PHE 101 0.769 5.811 4.918 855 HD1 PHE 101 HD1 PHE 101 -1.970 6.745 4.746 856 HD2 PHE 101 HD2 PHE 101 1.620 8.953 5.334 857 HE1 PHE 101 HE1 PHE 101 -3.033 8.729 3.753 858 HE2 PHE 101 HE2 PHE 101 0.563 10.943 4.343 859 HZ PHE 101 HZ PHE 101 -1.765 10.831 3.549 860 H GLU 102 H GLU 102 1.061 5.963 8.863 861 HA GLU 102 HA GLU 102 2.657 3.673 8.631 862 HB2 GLU 102 HB2 GLU 102 3.249 5.518 10.109 863 HB3 GLU 102 HB3 GLU 102 1.835 5.204 11.106 864 HG2 GLU 102 HG2 GLU 102 3.499 2.853 10.821 865 HG3 GLU 102 HG3 GLU 102 4.388 4.219 11.492 866 H GLU 103 H GLU 103 -0.298 4.216 10.535 867 HA GLU 103 HA GLU 103 -0.449 1.534 11.475 868 HB2 GLU 103 HB2 GLU 103 -2.048 3.980 11.682 869 HB3 GLU 103 HB3 GLU 103 -3.020 2.516 11.642 870 HG2 GLU 103 HG2 GLU 103 -1.874 1.631 13.551 871 HG3 GLU 103 HG3 GLU 103 -0.727 2.970 13.535 872 H LEU 104 H LEU 104 -1.473 3.160 8.596 873 HA LEU 104 HA LEU 104 -3.485 1.359 7.769 874 HB2 LEU 104 HB2 LEU 104 -2.640 3.745 6.874 875 HB3 LEU 104 HB3 LEU 104 -1.830 2.709 5.715 876 HG LEU 104 HG LEU 104 -4.801 2.855 6.222 877 HD11 LEU 104 HD11 LEU 104 -4.982 4.128 4.371 878 HD12 LEU 104 HD12 LEU 104 -3.636 3.332 3.557 879 HD13 LEU 104 HD13 LEU 104 -3.323 4.568 4.774 880 HD21 LEU 104 HD21 LEU 104 -5.067 1.215 4.489 881 HD22 LEU 104 HD22 LEU 104 -4.003 0.555 5.730 882 HD23 LEU 104 HD23 LEU 104 -3.326 1.156 4.217 883 H TYR 105 H TYR 105 -0.029 1.585 6.922 884 HA TYR 105 HA TYR 105 -0.031 -0.702 5.266 885 HB2 TYR 105 HB2 TYR 105 2.278 -0.422 5.085 886 HB3 TYR 105 HB3 TYR 105 1.716 1.207 5.433 887 HD1 TYR 105 HD1 TYR 105 3.046 -1.827 7.165 888 HD2 TYR 105 HD2 TYR 105 2.743 2.416 7.117 889 HE1 TYR 105 HE1 TYR 105 4.608 -1.700 9.059 890 HE2 TYR 105 HE2 TYR 105 4.301 2.554 9.014 891 HH TYR 105 HH TYR 105 6.181 1.044 9.966 892 H LYS 106 H LYS 106 0.277 -0.261 8.701 893 HA LYS 106 HA LYS 106 1.271 -2.908 9.217 894 HB2 LYS 106 HB2 LYS 106 1.098 -0.537 10.666 895 HB3 LYS 106 HB3 LYS 106 -0.033 -1.614 11.475 896 HG2 LYS 106 HG2 LYS 106 1.608 -3.069 12.135 897 HG3 LYS 106 HG3 LYS 106 2.691 -2.620 10.816 898 HD2 LYS 106 HD2 LYS 106 3.600 -0.915 11.976 899 HD3 LYS 106 HD3 LYS 106 2.057 -0.452 12.698 900 HE2 LYS 106 HE2 LYS 106 3.814 -2.751 13.552 901 HE3 LYS 106 HE3 LYS 106 3.607 -1.223 14.406 902 HZ1 LYS 106 HZ1 LYS 106 1.753 -3.481 14.164 903 HZ2 LYS 106 HZ2 LYS 106 1.111 -1.925 14.339 904 HZ3 LYS 106 HZ3 LYS 106 2.144 -2.550 15.522 905 H TYR 107 H TYR 107 -1.852 -1.332 9.105 906 HA TYR 107 HA TYR 107 -3.362 -3.341 10.385 907 HB2 TYR 107 HB2 TYR 107 -4.331 -1.168 10.097 908 HB3 TYR 107 HB3 TYR 107 -4.116 -1.236 8.352 909 HD1 TYR 107 HD1 TYR 107 -5.553 -2.739 6.992 910 HD2 TYR 107 HD2 TYR 107 -6.238 -2.140 11.147 911 HE1 TYR 107 HE1 TYR 107 -7.824 -3.648 6.742 912 HE2 TYR 107 HE2 TYR 107 -8.510 -3.048 10.909 913 HH TYR 107 HH TYR 107 -9.552 -4.689 8.112 914 H ALA 108 H ALA 108 -2.746 -2.720 6.934 915 HA ALA 108 HA ALA 108 -4.206 -4.878 5.919 916 HB1 ALA 108 HB1 ALA 108 -2.543 -4.644 3.956 917 HB2 ALA 108 HB2 ALA 108 -1.918 -3.266 4.861 918 HB3 ALA 108 HB3 ALA 108 -3.603 -3.287 4.342 919 H LEU 109 H LEU 109 -1.135 -4.784 7.498 920 HA LEU 109 HA LEU 109 -0.113 -7.236 6.458 921 HB2 LEU 109 HB2 LEU 109 0.593 -5.492 8.794 922 HB3 LEU 109 HB3 LEU 109 1.356 -7.057 8.582 923 HG LEU 109 HG LEU 109 1.393 -5.042 6.361 924 HD11 LEU 109 HD11 LEU 109 2.448 -3.646 7.780 925 HD12 LEU 109 HD12 LEU 109 3.819 -4.713 7.476 926 HD13 LEU 109 HD13 LEU 109 2.837 -4.930 8.926 927 HD21 LEU 109 HD21 LEU 109 3.719 -6.317 6.228 928 HD22 LEU 109 HD22 LEU 109 2.248 -6.965 5.502 929 HD23 LEU 109 HD23 LEU 109 2.791 -7.558 7.071 930 H ASN 110 H ASN 110 -2.230 -6.374 9.087 931 HA ASN 110 HA ASN 110 -2.011 -8.834 10.506 932 HB2 ASN 110 HB2 ASN 110 -3.686 -6.405 10.659 933 HB3 ASN 110 HB3 ASN 110 -4.433 -7.879 11.272 934 HD21 ASN 110 HD21 ASN 110 -1.940 -5.529 11.717 935 HD22 ASN 110 HD22 ASN 110 -1.441 -6.048 13.288 936 H GLU 111 H GLU 111 -4.331 -7.553 8.163 937 HA GLU 111 HA GLU 111 -6.038 -9.814 8.190 938 HB2 GLU 111 HB2 GLU 111 -6.886 -8.867 6.017 939 HB3 GLU 111 HB3 GLU 111 -6.927 -7.757 7.381 940 HG2 GLU 111 HG2 GLU 111 -5.177 -6.480 6.561 941 HG3 GLU 111 HG3 GLU 111 -4.604 -7.768 5.502 942 H ASN 112 H ASN 112 -3.135 -9.008 6.426 943 HA ASN 112 HA ASN 112 -3.392 -11.063 4.461 944 HB2 ASN 112 HB2 ASN 112 -1.793 -8.857 4.729 945 HB3 ASN 112 HB3 ASN 112 -0.665 -10.158 5.097 946 HD21 ASN 112 HD21 ASN 112 0.515 -9.866 3.234 947 HD22 ASN 112 HD22 ASN 112 -0.087 -10.286 1.671 948 H SER 113 H SER 113 -2.030 -10.859 7.670 949 HA SER 113 HA SER 113 -0.882 -13.541 7.423 950 HB2 SER 113 HB2 SER 113 -0.653 -11.446 9.594 951 HB3 SER 113 HB3 SER 113 0.070 -13.052 9.695 952 HG SER 113 HG SER 113 0.592 -11.166 7.638 953 H ASN 114 H ASN 114 -1.782 -15.294 8.316 954 HA ASN 114 HA ASN 114 -3.247 -16.639 9.419 955 HB2 ASN 114 HB2 ASN 114 -2.485 -14.690 11.272 956 HB3 ASN 114 HB3 ASN 114 -4.240 -14.757 11.395 957 HD21 ASN 114 HD21 ASN 114 -2.531 -15.518 13.448 958 HD22 ASN 114 HD22 ASN 114 -2.700 -17.219 13.709 959 H ASP 115 H ASP 115 -5.143 -17.202 8.600 960 HA ASP 115 HA ASP 115 -7.166 -15.103 8.167 961 HB2 ASP 115 HB2 ASP 115 -6.599 -17.573 6.515 962 HB3 ASP 115 HB3 ASP 115 -7.990 -16.519 6.276 963 H ARG 116 H ARG 116 -6.672 -18.544 8.873 964 HA ARG 116 HA ARG 116 -9.121 -18.491 10.483 965 HB2 ARG 116 HB2 ARG 116 -8.563 -20.207 8.129 966 HB3 ARG 116 HB3 ARG 116 -9.295 -21.000 9.516 967 HG2 ARG 116 HG2 ARG 116 -10.962 -18.992 9.419 968 HG3 ARG 116 HG3 ARG 116 -10.397 -18.868 7.751 969 HD2 ARG 116 HD2 ARG 116 -11.322 -21.482 8.892 970 HD3 ARG 116 HD3 ARG 116 -12.471 -20.313 8.241 971 HE ARG 116 HE ARG 116 -10.692 -21.998 6.757 972 HH11 ARG 116 HH11 ARG 116 -12.432 -18.974 6.713 973 HH12 ARG 116 HH12 ARG 116 -12.487 -18.885 4.984 974 HH21 ARG 116 HH21 ARG 116 -10.761 -21.884 4.482 975 HH22 ARG 116 HH22 ARG 116 -11.539 -20.539 3.717 976 H SER 117 H SER 117 -9.224 -20.942 11.491 977 HA SER 117 HA SER 117 -8.341 -22.367 13.028 978 HB2 SER 117 HB2 SER 117 -5.521 -21.904 12.252 979 HB3 SER 117 HB3 SER 117 -6.402 -23.417 12.460 980 HG SER 117 HG SER 117 -7.470 -22.860 10.429 981 H GLU 118 H GLU 118 -7.768 -22.189 15.133 982 HA GLU 118 HA GLU 118 -5.851 -20.373 16.139 983 HB2 GLU 118 HB2 GLU 118 -8.094 -19.032 15.455 984 HB3 GLU 118 HB3 GLU 118 -8.517 -19.502 17.095 985 HG2 GLU 118 HG2 GLU 118 -6.010 -18.563 17.471 986 HG3 GLU 118 HG3 GLU 118 -6.548 -17.551 16.130 987 H HIS 119 H HIS 119 -6.075 -22.987 16.595 988 HA HIS 119 HA HIS 119 -7.358 -23.269 19.225 989 HB2 HIS 119 HB2 HIS 119 -6.405 -25.388 17.287 990 HB3 HIS 119 HB3 HIS 119 -7.131 -25.711 18.857 991 HD1 HIS 119 HD1 HIS 119 -7.963 -25.134 15.356 992 HD2 HIS 119 HD2 HIS 119 -9.916 -24.839 19.013 993 HE1 HIS 119 HE1 HIS 119 -10.415 -25.053 14.804 994 HE2 HIS 119 HE2 HIS 119 -11.580 -24.967 17.037 995 H HIS 120 H HIS 120 -6.150 -24.811 20.726 996 HA HIS 120 HA HIS 120 -3.247 -24.372 20.549 997 HB2 HIS 120 HB2 HIS 120 -4.344 -22.764 22.134 998 HB3 HIS 120 HB3 HIS 120 -4.857 -24.146 23.098 999 HD1 HIS 120 HD1 HIS 120 -2.551 -21.680 23.455 1000 HD2 HIS 120 HD2 HIS 120 -2.126 -25.812 23.352 1001 HE1 HIS 120 HE1 HIS 120 -0.378 -22.162 24.627 1002 HE2 HIS 120 HE2 HIS 120 -0.186 -24.674 24.628 1003 H LYS 121 H LYS 121 -2.810 -26.472 19.944 1004 HA LYS 121 HA LYS 121 -2.375 -28.687 20.208 1005 HB2 LYS 121 HB2 LYS 121 -2.741 -27.905 23.099 1006 HB3 LYS 121 HB3 LYS 121 -2.255 -29.521 22.603 1007 HG2 LYS 121 HG2 LYS 121 -0.290 -28.530 21.467 1008 HG3 LYS 121 HG3 LYS 121 -0.757 -26.957 22.115 1009 HD2 LYS 121 HD2 LYS 121 -0.307 -27.594 24.312 1010 HD3 LYS 121 HD3 LYS 121 -0.371 -29.314 23.924 1011 HE2 LYS 121 HE2 LYS 121 1.790 -29.375 23.331 1012 HE3 LYS 121 HE3 LYS 121 1.684 -27.854 22.447 1013 HZ1 LYS 121 HZ1 LYS 121 3.188 -27.805 24.402 1014 HZ2 LYS 121 HZ2 LYS 121 1.844 -28.033 25.405 1015 HZ3 LYS 121 HZ3 LYS 121 1.965 -26.638 24.456 1016 H LYS 122 H LYS 122 -3.327 -30.798 21.162 1017 HA LYS 122 HA LYS 122 -6.259 -30.600 20.975 1018 HB2 LYS 122 HB2 LYS 122 -4.697 -31.950 19.288 1019 HB3 LYS 122 HB3 LYS 122 -4.862 -33.189 20.525 1020 HG2 LYS 122 HG2 LYS 122 -7.439 -32.441 20.231 1021 HG3 LYS 122 HG3 LYS 122 -6.828 -32.160 18.600 1022 HD2 LYS 122 HD2 LYS 122 -6.244 -34.397 18.303 1023 HD3 LYS 122 HD3 LYS 122 -6.246 -34.725 20.036 1024 HE2 LYS 122 HE2 LYS 122 -8.495 -35.026 20.116 1025 HE3 LYS 122 HE3 LYS 122 -8.806 -33.840 18.846 1026 HZ1 LYS 122 HZ1 LYS 122 -9.164 -36.357 18.398 1027 HZ2 LYS 122 HZ2 LYS 122 -7.488 -36.376 18.155 1028 HZ3 LYS 122 HZ3 LYS 122 -8.471 -35.383 17.202 1029 HA PRO 123 HA PRO 123 -5.738 -31.668 25.405 1030 HB2 PRO 123 HB2 PRO 123 -8.693 -31.400 25.126 1031 HB3 PRO 123 HB3 PRO 123 -7.619 -30.754 26.370 1032 HG2 PRO 123 HG2 PRO 123 -8.597 -29.163 24.477 1033 HG3 PRO 123 HG3 PRO 123 -6.925 -28.983 25.039 1034 HD2 PRO 123 HD2 PRO 123 -7.958 -30.194 22.514 1035 HD3 PRO 123 HD3 PRO 123 -6.483 -29.246 22.792 1036 H ARG 124 H ARG 124 -7.282 -33.238 26.745 1037 HA ARG 124 HA ARG 124 -7.550 -35.671 25.112 1038 HB2 ARG 124 HB2 ARG 124 -6.755 -35.183 27.950 1039 HB3 ARG 124 HB3 ARG 124 -7.527 -36.707 27.540 1040 HG2 ARG 124 HG2 ARG 124 -5.579 -37.497 26.863 1041 HG3 ARG 124 HG3 ARG 124 -5.520 -36.258 25.610 1042 HD2 ARG 124 HD2 ARG 124 -4.534 -35.948 28.443 1043 HD3 ARG 124 HD3 ARG 124 -3.522 -36.224 27.028 1044 HE ARG 124 HE ARG 124 -3.998 -34.039 26.284 1045 HH11 ARG 124 HH11 ARG 124 -5.449 -34.727 29.392 1046 HH12 ARG 124 HH12 ARG 124 -5.692 -33.060 29.781 1047 HH21 ARG 124 HH21 ARG 124 -4.323 -31.852 26.804 1048 HH22 ARG 124 HH22 ARG 124 -5.056 -31.429 28.315 1049 H ILE 125 H ILE 125 -9.267 -37.180 25.716 1050 HA ILE 125 HA ILE 125 -11.451 -36.357 27.339 1051 HB ILE 125 HB ILE 125 -11.834 -34.839 25.437 1052 HG12 ILE 125 HG12 ILE 125 -14.165 -36.138 24.807 1053 HG13 ILE 125 HG13 ILE 125 -13.717 -36.921 26.319 1054 HG21 ILE 125 HG21 ILE 125 -10.833 -36.099 23.650 1055 HG22 ILE 125 HG22 ILE 125 -12.525 -35.794 23.258 1056 HG23 ILE 125 HG23 ILE 125 -12.026 -37.384 23.835 1057 HD11 ILE 125 HD11 ILE 125 -14.030 -33.958 25.906 1058 HD12 ILE 125 HD12 ILE 125 -13.619 -34.759 27.423 1059 HD13 ILE 125 HD13 ILE 125 -15.198 -35.025 26.684 1060 H ASP 126 H ASP 126 -12.698 -38.071 27.863 1061 HA ASP 126 HA ASP 126 -12.035 -40.622 26.599 1062 HB2 ASP 126 HB2 ASP 126 -13.506 -39.987 29.165 1063 HB3 ASP 126 HB3 ASP 126 -13.197 -41.615 28.570 1064 H ASP 127 H ASP 127 -14.077 -42.211 26.815 1065 HA ASP 127 HA ASP 127 -16.510 -40.904 25.887 1066 HB2 ASP 127 HB2 ASP 127 -14.762 -42.649 24.204 1067 HB3 ASP 127 HB3 ASP 127 -16.508 -42.762 24.004 1068 H SER 128 H SER 128 -18.117 -42.847 25.247 1069 HA SER 128 HA SER 128 -18.193 -44.526 27.640 1070 HB2 SER 128 HB2 SER 128 -20.151 -43.038 26.858 1071 HB3 SER 128 HB3 SER 128 -20.414 -44.267 25.622 1072 HG SER 128 HG SER 128 -20.656 -45.795 27.297 1073 H SER 129 H SER 129 -18.951 -44.905 24.172 1074 HA SER 129 HA SER 129 -18.072 -47.709 24.390 1075 HB2 SER 129 HB2 SER 129 -19.833 -46.724 22.167 1076 HB3 SER 129 HB3 SER 129 -19.689 -48.348 22.836 1077 HG SER 129 HG SER 129 -21.448 -46.483 23.471 1078 H ASP 130 H ASP 130 -16.075 -47.912 23.624 1079 HA ASP 130 HA ASP 130 -15.491 -47.033 20.927 1080 HB2 ASP 130 HB2 ASP 130 -14.816 -45.276 22.875 1081 HB3 ASP 130 HB3 ASP 130 -13.362 -46.271 22.836 1082 H LEU 131 H LEU 131 -12.900 -47.546 20.664 1083 HA LEU 131 HA LEU 131 -11.379 -49.215 20.401 1084 HB2 LEU 131 HB2 LEU 131 -12.414 -50.089 23.099 1085 HB3 LEU 131 HB3 LEU 131 -10.947 -50.678 22.340 1086 HG LEU 131 HG LEU 131 -11.169 -47.743 22.723 1087 HD11 LEU 131 HD11 LEU 131 -10.643 -49.650 24.997 1088 HD12 LEU 131 HD12 LEU 131 -12.036 -48.580 24.838 1089 HD13 LEU 131 HD13 LEU 131 -10.420 -47.902 25.044 1090 HD21 LEU 131 HD21 LEU 131 -8.777 -48.023 23.238 1091 HD22 LEU 131 HD22 LEU 131 -9.209 -48.693 21.667 1092 HD23 LEU 131 HD23 LEU 131 -8.956 -49.767 23.042 1093 H LEU 132 H LEU 132 -13.971 -49.569 19.273 1094 HA LEU 132 HA LEU 132 -14.226 -52.503 19.383 1095 HB2 LEU 132 HB2 LEU 132 -16.297 -50.369 18.928 1096 HB3 LEU 132 HB3 LEU 132 -16.573 -52.041 18.478 1097 HG LEU 132 HG LEU 132 -15.658 -51.785 21.231 1098 HD11 LEU 132 HD11 LEU 132 -16.771 -49.792 21.516 1099 HD12 LEU 132 HD12 LEU 132 -18.043 -50.956 21.886 1100 HD13 LEU 132 HD13 LEU 132 -17.993 -50.177 20.305 1101 HD21 LEU 132 HD21 LEU 132 -18.002 -53.001 21.413 1102 HD22 LEU 132 HD22 LEU 132 -16.570 -53.828 20.802 1103 HD23 LEU 132 HD23 LEU 132 -17.764 -53.185 19.675 1104 H LYS 133 H LYS 133 -14.758 -49.721 17.214 1105 HA LYS 133 HA LYS 133 -13.878 -51.429 14.979 1106 HB2 LYS 133 HB2 LYS 133 -16.106 -49.477 15.217 1107 HB3 LYS 133 HB3 LYS 133 -15.244 -49.521 13.687 1108 HG2 LYS 133 HG2 LYS 133 -16.368 -51.992 14.964 1109 HG3 LYS 133 HG3 LYS 133 -17.310 -50.968 13.880 1110 HD2 LYS 133 HD2 LYS 133 -16.190 -51.659 12.045 1111 HD3 LYS 133 HD3 LYS 133 -14.645 -51.738 12.893 1112 HE2 LYS 133 HE2 LYS 133 -16.865 -53.749 13.226 1113 HE3 LYS 133 HE3 LYS 133 -15.512 -53.947 12.114 1114 HZ1 LYS 133 HZ1 LYS 133 -14.111 -53.530 14.236 1115 HZ2 LYS 133 HZ2 LYS 133 -14.781 -55.060 13.966 1116 HZ3 LYS 133 HZ3 LYS 133 -15.517 -53.996 15.054 1117 H THR 134 H THR 134 -13.324 -49.787 13.028 1118 HA THR 134 HA THR 134 -11.768 -47.522 13.980 1119 HB THR 134 HB THR 134 -9.797 -48.436 12.549 1120 HG1 THR 134 HG1 THR 134 -9.717 -50.605 12.321 1121 HG21 THR 134 HG21 THR 134 -10.486 -49.500 15.268 1122 HG22 THR 134 HG22 THR 134 -9.412 -48.164 14.855 1123 HG23 THR 134 HG23 THR 134 -8.946 -49.820 14.471 1124 H ASP 135 H ASP 135 -12.506 -45.947 12.719 1125 HA ASP 135 HA ASP 135 -13.536 -46.409 10.094 1126 HB2 ASP 135 HB2 ASP 135 -13.106 -43.998 11.816 1127 HB3 ASP 135 HB3 ASP 135 -13.440 -43.780 10.102 1128 H GLU 136 H GLU 136 -10.505 -45.245 11.415 1129 HA GLU 136 HA GLU 136 -8.462 -44.907 10.477 1130 HB2 GLU 136 HB2 GLU 136 -9.673 -46.919 8.885 1131 HB3 GLU 136 HB3 GLU 136 -8.860 -45.813 7.788 1132 HG2 GLU 136 HG2 GLU 136 -7.216 -47.354 8.248 1133 HG3 GLU 136 HG3 GLU 136 -6.856 -46.067 9.397 1134 H ILE 137 H ILE 137 -10.423 -44.599 7.529 1135 HA ILE 137 HA ILE 137 -9.997 -41.703 7.555 1136 HB ILE 137 HB ILE 137 -9.372 -41.784 5.123 1137 HG12 ILE 137 HG12 ILE 137 -8.655 -44.662 5.669 1138 HG13 ILE 137 HG13 ILE 137 -10.164 -44.202 4.889 1139 HG21 ILE 137 HG21 ILE 137 -6.991 -42.794 5.753 1140 HG22 ILE 137 HG22 ILE 137 -7.664 -42.655 7.377 1141 HG23 ILE 137 HG23 ILE 137 -7.545 -41.229 6.347 1142 HD11 ILE 137 HD11 ILE 137 -9.163 -43.904 2.932 1143 HD12 ILE 137 HD12 ILE 137 -7.768 -44.716 3.643 1144 HD13 ILE 137 HD13 ILE 137 -7.862 -42.954 3.649 Start of MODEL 3 1 H1 GLY -2 H1 GLY -2 -6.070 20.114 -17.353 2 H2 GLY -2 H2 GLY -2 -6.178 19.541 -18.940 3 H3 GLY -2 H3 GLY -2 -5.047 20.735 -18.549 4 HA2 GLY -2 HA2 GLY -2 -4.458 18.141 -18.727 5 HA3 GLY -2 HA3 GLY -2 -3.554 19.290 -17.754 6 H HIS -1 H HIS -1 -6.816 18.140 -17.086 7 HA HIS -1 HA HIS -1 -5.900 17.193 -14.485 8 HB2 HIS -1 HB2 HIS -1 -8.687 17.543 -15.607 9 HB3 HIS -1 HB3 HIS -1 -8.323 17.019 -13.966 10 HD1 HIS -1 HD1 HIS -1 -9.805 19.731 -14.989 11 HD2 HIS -1 HD2 HIS -1 -5.982 19.349 -13.408 12 HE1 HIS -1 HE1 HIS -1 -9.227 22.000 -14.072 13 HE2 HIS -1 HE2 HIS -1 -6.945 21.721 -13.043 14 H MET 0 H MET 0 -4.776 15.340 -15.391 15 HA MET 0 HA MET 0 -6.615 13.085 -15.787 16 HB2 MET 0 HB2 MET 0 -4.039 13.396 -17.331 17 HB3 MET 0 HB3 MET 0 -5.273 12.163 -17.547 18 HG2 MET 0 HG2 MET 0 -6.115 13.431 -19.152 19 HG3 MET 0 HG3 MET 0 -6.638 14.546 -17.892 20 HE1 MET 0 HE1 MET 0 -3.930 13.671 -20.536 21 HE2 MET 0 HE2 MET 0 -2.934 13.733 -19.081 22 HE3 MET 0 HE3 MET 0 -2.745 14.962 -20.332 23 H MET 1 H MET 1 -6.011 13.117 -13.396 24 HA MET 1 HA MET 1 -3.470 11.690 -12.971 25 HB2 MET 1 HB2 MET 1 -4.971 13.679 -11.360 26 HB3 MET 1 HB3 MET 1 -4.182 12.384 -10.471 27 HG2 MET 1 HG2 MET 1 -2.051 12.973 -11.533 28 HG3 MET 1 HG3 MET 1 -2.852 14.295 -12.379 29 HE1 MET 1 HE1 MET 1 -0.391 14.851 -11.033 30 HE2 MET 1 HE2 MET 1 -0.542 15.968 -9.677 31 HE3 MET 1 HE3 MET 1 -1.253 16.375 -11.238 32 H SER 2 H SER 2 -3.447 9.871 -11.591 33 HA SER 2 HA SER 2 -5.898 8.328 -11.698 34 HB2 SER 2 HB2 SER 2 -3.022 7.748 -11.233 35 HB3 SER 2 HB3 SER 2 -4.181 6.663 -10.467 36 HG SER 2 HG SER 2 -5.124 6.371 -12.555 37 H LYS 3 H LYS 3 -6.630 7.086 -9.800 38 HA LYS 3 HA LYS 3 -6.072 8.399 -7.236 39 HB2 LYS 3 HB2 LYS 3 -8.568 8.246 -6.756 40 HB3 LYS 3 HB3 LYS 3 -8.055 9.503 -7.873 41 HG2 LYS 3 HG2 LYS 3 -9.120 8.573 -9.629 42 HG3 LYS 3 HG3 LYS 3 -8.797 6.923 -9.089 43 HD2 LYS 3 HD2 LYS 3 -10.553 7.086 -7.430 44 HD3 LYS 3 HD3 LYS 3 -10.829 8.779 -7.849 45 HE2 LYS 3 HE2 LYS 3 -12.521 7.634 -8.979 46 HE3 LYS 3 HE3 LYS 3 -11.296 7.917 -10.215 47 HZ1 LYS 3 HZ1 LYS 3 -12.373 5.575 -9.912 48 HZ2 LYS 3 HZ2 LYS 3 -11.203 5.409 -8.700 49 HZ3 LYS 3 HZ3 LYS 3 -10.732 5.722 -10.294 50 H LEU 4 H LEU 4 -5.259 5.840 -8.371 51 HA LEU 4 HA LEU 4 -6.841 3.801 -7.105 52 HB2 LEU 4 HB2 LEU 4 -5.003 3.838 -9.151 53 HB3 LEU 4 HB3 LEU 4 -4.101 3.085 -7.849 54 HG LEU 4 HG LEU 4 -6.835 2.095 -8.600 55 HD11 LEU 4 HD11 LEU 4 -4.305 0.964 -9.748 56 HD12 LEU 4 HD12 LEU 4 -5.234 2.205 -10.590 57 HD13 LEU 4 HD13 LEU 4 -5.974 0.647 -10.220 58 HD21 LEU 4 HD21 LEU 4 -4.584 0.409 -7.632 59 HD22 LEU 4 HD22 LEU 4 -6.318 0.252 -7.352 60 HD23 LEU 4 HD23 LEU 4 -5.392 1.474 -6.482 61 H PHE 5 H PHE 5 -6.867 4.435 -4.917 62 HA PHE 5 HA PHE 5 -4.770 3.330 -3.351 63 HB2 PHE 5 HB2 PHE 5 -3.698 5.473 -3.911 64 HB3 PHE 5 HB3 PHE 5 -5.087 6.338 -3.260 65 HD1 PHE 5 HD1 PHE 5 -2.875 3.563 -2.094 66 HD2 PHE 5 HD2 PHE 5 -4.681 7.319 -1.238 67 HE1 PHE 5 HE1 PHE 5 -1.830 3.553 0.134 68 HE2 PHE 5 HE2 PHE 5 -3.638 7.318 0.992 69 HZ PHE 5 HZ PHE 5 -2.210 5.433 1.679 70 H LEU 6 H LEU 6 -7.525 5.555 -3.401 71 HA LEU 6 HA LEU 6 -8.299 4.797 -0.709 72 HB2 LEU 6 HB2 LEU 6 -9.468 6.689 -2.739 73 HB3 LEU 6 HB3 LEU 6 -10.260 6.335 -1.215 74 HG LEU 6 HG LEU 6 -8.018 7.084 -0.140 75 HD11 LEU 6 HD11 LEU 6 -7.025 8.948 -1.604 76 HD12 LEU 6 HD12 LEU 6 -7.767 8.088 -2.953 77 HD13 LEU 6 HD13 LEU 6 -6.564 7.281 -1.948 78 HD21 LEU 6 HD21 LEU 6 -8.837 9.573 -0.677 79 HD22 LEU 6 HD22 LEU 6 -9.699 8.495 0.420 80 HD23 LEU 6 HD23 LEU 6 -10.248 8.681 -1.245 81 H ASP 7 H ASP 7 -9.184 4.088 -4.007 82 HA ASP 7 HA ASP 7 -11.725 3.001 -3.619 83 HB2 ASP 7 HB2 ASP 7 -9.574 2.358 -5.636 84 HB3 ASP 7 HB3 ASP 7 -11.183 1.644 -5.695 85 H GLU 8 H GLU 8 -8.554 1.679 -3.004 86 HA GLU 8 HA GLU 8 -9.500 -1.018 -2.636 87 HB2 GLU 8 HB2 GLU 8 -6.865 0.366 -2.230 88 HB3 GLU 8 HB3 GLU 8 -7.125 -1.265 -1.624 89 HG2 GLU 8 HG2 GLU 8 -7.936 -1.696 -4.085 90 HG3 GLU 8 HG3 GLU 8 -6.936 -0.285 -4.422 91 H LEU 9 H LEU 9 -8.833 1.768 -0.627 92 HA LEU 9 HA LEU 9 -9.024 0.320 1.850 93 HB2 LEU 9 HB2 LEU 9 -8.853 3.225 1.116 94 HB3 LEU 9 HB3 LEU 9 -9.213 2.737 2.762 95 HG LEU 9 HG LEU 9 -6.786 1.650 1.379 96 HD11 LEU 9 HD11 LEU 9 -6.438 4.045 3.063 97 HD12 LEU 9 HD12 LEU 9 -7.117 4.315 1.457 98 HD13 LEU 9 HD13 LEU 9 -5.552 3.520 1.630 99 HD21 LEU 9 HD21 LEU 9 -7.885 1.070 3.762 100 HD22 LEU 9 HD22 LEU 9 -6.834 2.406 4.230 101 HD23 LEU 9 HD23 LEU 9 -6.152 0.984 3.442 102 HA PRO 10 HA PRO 10 -13.336 0.289 2.700 103 HB2 PRO 10 HB2 PRO 10 -12.822 1.836 5.188 104 HB3 PRO 10 HB3 PRO 10 -13.623 0.275 4.976 105 HG2 PRO 10 HG2 PRO 10 -11.160 0.415 5.980 106 HG3 PRO 10 HG3 PRO 10 -11.620 -0.889 4.869 107 HD2 PRO 10 HD2 PRO 10 -9.997 1.564 4.345 108 HD3 PRO 10 HD3 PRO 10 -9.794 -0.080 3.709 109 H GLU 11 H GLU 11 -15.013 1.994 3.939 110 HA GLU 11 HA GLU 11 -14.876 4.376 2.231 111 HB2 GLU 11 HB2 GLU 11 -17.086 2.738 3.351 112 HB3 GLU 11 HB3 GLU 11 -17.384 4.461 3.179 113 HG2 GLU 11 HG2 GLU 11 -16.556 4.161 0.772 114 HG3 GLU 11 HG3 GLU 11 -16.793 2.438 1.056 115 H SER 12 H SER 12 -15.119 3.327 5.556 116 HA SER 12 HA SER 12 -15.748 5.852 6.684 117 HB2 SER 12 HB2 SER 12 -15.677 3.321 7.658 118 HB3 SER 12 HB3 SER 12 -14.181 3.962 8.333 119 HG SER 12 HG SER 12 -16.307 4.249 9.515 120 H LEU 13 H LEU 13 -12.714 4.177 6.016 121 HA LEU 13 HA LEU 13 -11.091 6.193 7.253 122 HB2 LEU 13 HB2 LEU 13 -10.390 3.925 5.387 123 HB3 LEU 13 HB3 LEU 13 -9.211 4.967 6.161 124 HG LEU 13 HG LEU 13 -11.158 3.209 7.654 125 HD11 LEU 13 HD11 LEU 13 -8.955 1.972 8.177 126 HD12 LEU 13 HD12 LEU 13 -8.355 2.750 6.712 127 HD13 LEU 13 HD13 LEU 13 -9.751 1.676 6.632 128 HD21 LEU 13 HD21 LEU 13 -9.392 3.659 9.475 129 HD22 LEU 13 HD22 LEU 13 -10.567 4.921 9.109 130 HD23 LEU 13 HD23 LEU 13 -8.928 5.033 8.471 131 H SER 14 H SER 14 -11.846 5.283 3.903 132 HA SER 14 HA SER 14 -10.257 7.089 2.552 133 HB2 SER 14 HB2 SER 14 -11.651 5.288 1.510 134 HB3 SER 14 HB3 SER 14 -13.068 6.312 1.744 135 HG SER 14 HG SER 14 -12.180 7.817 0.351 136 H ARG 15 H ARG 15 -13.151 7.681 4.375 137 HA ARG 15 HA ARG 15 -13.792 10.210 3.246 138 HB2 ARG 15 HB2 ARG 15 -15.069 8.505 4.938 139 HB3 ARG 15 HB3 ARG 15 -14.530 9.745 6.064 140 HG2 ARG 15 HG2 ARG 15 -16.705 10.347 5.374 141 HG3 ARG 15 HG3 ARG 15 -15.594 11.439 4.545 142 HD2 ARG 15 HD2 ARG 15 -15.749 9.462 2.728 143 HD3 ARG 15 HD3 ARG 15 -17.344 9.323 3.462 144 HE ARG 15 HE ARG 15 -16.998 12.001 2.933 145 HH11 ARG 15 HH11 ARG 15 -17.029 9.048 1.072 146 HH12 ARG 15 HH12 ARG 15 -17.624 9.813 -0.364 147 HH21 ARG 15 HH21 ARG 15 -17.780 13.008 1.046 148 HH22 ARG 15 HH22 ARG 15 -18.049 12.061 -0.379 149 H LYS 16 H LYS 16 -11.942 9.211 6.102 150 HA LYS 16 HA LYS 16 -11.319 11.926 6.830 151 HB2 LYS 16 HB2 LYS 16 -10.468 9.231 7.861 152 HB3 LYS 16 HB3 LYS 16 -9.708 10.708 8.435 153 HG2 LYS 16 HG2 LYS 16 -11.311 10.782 9.968 154 HG3 LYS 16 HG3 LYS 16 -12.401 11.252 8.662 155 HD2 LYS 16 HD2 LYS 16 -12.762 8.776 8.257 156 HD3 LYS 16 HD3 LYS 16 -11.927 8.501 9.788 157 HE2 LYS 16 HE2 LYS 16 -14.440 10.118 9.387 158 HE3 LYS 16 HE3 LYS 16 -14.338 8.516 10.113 159 HZ1 LYS 16 HZ1 LYS 16 -14.478 10.402 11.720 160 HZ2 LYS 16 HZ2 LYS 16 -12.942 10.892 11.209 161 HZ3 LYS 16 HZ3 LYS 16 -13.145 9.386 11.950 162 H ILE 17 H ILE 17 -9.597 9.209 5.347 163 HA ILE 17 HA ILE 17 -7.081 10.473 5.171 164 HB ILE 17 HB ILE 17 -8.179 8.336 3.340 165 HG12 ILE 17 HG12 ILE 17 -6.597 8.015 5.898 166 HG13 ILE 17 HG13 ILE 17 -8.330 7.740 5.753 167 HG21 ILE 17 HG21 ILE 17 -6.113 9.516 2.592 168 HG22 ILE 17 HG22 ILE 17 -5.902 7.786 2.863 169 HG23 ILE 17 HG23 ILE 17 -5.319 8.944 4.059 170 HD11 ILE 17 HD11 ILE 17 -8.051 5.815 4.518 171 HD12 ILE 17 HD12 ILE 17 -6.700 5.740 5.650 172 HD13 ILE 17 HD13 ILE 17 -6.430 6.264 3.988 173 H GLY 18 H GLY 18 -9.944 10.599 3.177 174 HA2 GLY 18 HA2 GLY 18 -8.808 11.620 0.817 175 HA3 GLY 18 HA3 GLY 18 -10.475 11.838 1.322 176 H THR 19 H THR 19 -10.188 13.329 3.617 177 HA THR 19 HA THR 19 -9.885 15.918 2.594 178 HB THR 19 HB THR 19 -11.247 15.260 4.601 179 HG1 THR 19 HG1 THR 19 -9.414 17.406 4.798 180 HG21 THR 19 HG21 THR 19 -9.288 15.784 6.592 181 HG22 THR 19 HG22 THR 19 -8.778 14.396 5.635 182 HG23 THR 19 HG23 THR 19 -10.356 14.392 6.418 183 H VAL 20 H VAL 20 -7.614 13.779 4.167 184 HA VAL 20 HA VAL 20 -5.625 15.821 4.581 185 HB VAL 20 HB VAL 20 -5.209 12.834 4.657 186 HG11 VAL 20 HG11 VAL 20 -3.421 13.481 6.278 187 HG12 VAL 20 HG12 VAL 20 -3.720 15.166 5.850 188 HG13 VAL 20 HG13 VAL 20 -3.143 14.033 4.627 189 HG21 VAL 20 HG21 VAL 20 -6.423 12.691 6.512 190 HG22 VAL 20 HG22 VAL 20 -6.912 14.372 6.302 191 HG23 VAL 20 HG23 VAL 20 -5.482 13.983 7.259 192 H VAL 21 H VAL 21 -6.074 13.107 2.336 193 HA VAL 21 HA VAL 21 -3.685 13.314 0.931 194 HB VAL 21 HB VAL 21 -6.389 12.523 -0.170 195 HG11 VAL 21 HG11 VAL 21 -3.841 12.796 -1.439 196 HG12 VAL 21 HG12 VAL 21 -5.377 12.276 -2.131 197 HG13 VAL 21 HG13 VAL 21 -4.294 11.093 -1.400 198 HG21 VAL 21 HG21 VAL 21 -5.022 11.332 1.882 199 HG22 VAL 21 HG22 VAL 21 -4.467 10.421 0.479 200 HG23 VAL 21 HG23 VAL 21 -6.190 10.531 0.832 201 H ARG 22 H ARG 22 -6.608 15.228 0.698 202 HA ARG 22 HA ARG 22 -6.276 16.427 -1.779 203 HB2 ARG 22 HB2 ARG 22 -8.065 16.699 0.238 204 HB3 ARG 22 HB3 ARG 22 -7.181 18.211 0.399 205 HG2 ARG 22 HG2 ARG 22 -8.101 19.080 -1.440 206 HG3 ARG 22 HG3 ARG 22 -7.922 17.581 -2.353 207 HD2 ARG 22 HD2 ARG 22 -9.903 17.219 -0.322 208 HD3 ARG 22 HD3 ARG 22 -10.272 18.680 -1.236 209 HE ARG 22 HE ARG 22 -10.406 15.965 -2.173 210 HH11 ARG 22 HH11 ARG 22 -10.063 19.307 -3.120 211 HH12 ARG 22 HH12 ARG 22 -10.656 19.043 -4.725 212 HH21 ARG 22 HH21 ARG 22 -11.188 15.617 -4.283 213 HH22 ARG 22 HH22 ARG 22 -11.295 16.948 -5.385 214 H VAL 23 H VAL 23 -4.616 17.017 1.232 215 HA VAL 23 HA VAL 23 -3.364 19.455 0.343 216 HB VAL 23 HB VAL 23 -2.631 17.716 2.703 217 HG11 VAL 23 HG11 VAL 23 -1.422 19.542 3.543 218 HG12 VAL 23 HG12 VAL 23 -2.149 20.665 2.394 219 HG13 VAL 23 HG13 VAL 23 -0.983 19.463 1.837 220 HG21 VAL 23 HG21 VAL 23 -4.115 18.932 4.040 221 HG22 VAL 23 HG22 VAL 23 -5.037 18.589 2.577 222 HG23 VAL 23 HG23 VAL 23 -4.330 20.187 2.820 223 H LEU 24 H LEU 24 -2.270 16.127 0.969 224 HA LEU 24 HA LEU 24 0.133 16.683 -0.626 225 HB2 LEU 24 HB2 LEU 24 -0.307 15.341 1.885 226 HB3 LEU 24 HB3 LEU 24 0.449 14.249 0.739 227 HG LEU 24 HG LEU 24 2.263 15.825 0.396 228 HD11 LEU 24 HD11 LEU 24 2.195 17.711 2.313 229 HD12 LEU 24 HD12 LEU 24 0.481 17.602 1.912 230 HD13 LEU 24 HD13 LEU 24 1.660 17.975 0.655 231 HD21 LEU 24 HD21 LEU 24 3.373 15.046 2.173 232 HD22 LEU 24 HD22 LEU 24 1.848 14.282 2.625 233 HD23 LEU 24 HD23 LEU 24 2.288 15.848 3.309 234 HA PRO 25 HA PRO 25 -2.380 13.703 -3.142 235 HB2 PRO 25 HB2 PRO 25 -2.223 15.024 -5.482 236 HB3 PRO 25 HB3 PRO 25 -3.423 15.442 -4.252 237 HG2 PRO 25 HG2 PRO 25 -0.808 16.762 -4.872 238 HG3 PRO 25 HG3 PRO 25 -2.380 17.504 -4.523 239 HD2 PRO 25 HD2 PRO 25 -0.391 17.253 -2.670 240 HD3 PRO 25 HD3 PRO 25 -2.115 17.290 -2.255 241 H SER 26 H SER 26 0.791 14.927 -3.123 242 HA SER 26 HA SER 26 1.661 12.999 -5.166 243 HB2 SER 26 HB2 SER 26 3.765 14.311 -5.241 244 HB3 SER 26 HB3 SER 26 2.353 15.288 -5.642 245 HG SER 26 HG SER 26 2.783 16.506 -3.995 246 H SER 27 H SER 27 2.182 14.075 -1.844 247 HA SER 27 HA SER 27 4.376 12.419 -1.248 248 HB2 SER 27 HB2 SER 27 3.883 14.174 0.278 249 HB3 SER 27 HB3 SER 27 2.223 13.622 0.489 250 HG SER 27 HG SER 27 3.489 12.991 2.252 251 H LEU 28 H LEU 28 0.916 11.812 -1.253 252 HA LEU 28 HA LEU 28 0.887 9.399 0.155 253 HB2 LEU 28 HB2 LEU 28 -1.271 9.068 -0.668 254 HB3 LEU 28 HB3 LEU 28 -1.083 10.812 -0.630 255 HG LEU 28 HG LEU 28 -0.299 10.262 -3.183 256 HD11 LEU 28 HD11 LEU 28 -2.631 8.432 -2.702 257 HD12 LEU 28 HD12 LEU 28 -0.964 7.855 -2.737 258 HD13 LEU 28 HD13 LEU 28 -1.664 8.620 -4.165 259 HD21 LEU 28 HD21 LEU 28 -2.269 11.691 -1.942 260 HD22 LEU 28 HD22 LEU 28 -3.195 10.552 -2.919 261 HD23 LEU 28 HD23 LEU 28 -2.014 11.612 -3.685 262 H GLU 29 H GLU 29 1.855 10.131 -3.106 263 HA GLU 29 HA GLU 29 1.688 7.620 -4.294 264 HB2 GLU 29 HB2 GLU 29 2.396 9.936 -5.269 265 HB3 GLU 29 HB3 GLU 29 4.020 9.430 -4.828 266 HG2 GLU 29 HG2 GLU 29 4.112 8.462 -6.820 267 HG3 GLU 29 HG3 GLU 29 3.026 7.240 -6.159 268 H ILE 30 H ILE 30 4.157 8.989 -2.188 269 HA ILE 30 HA ILE 30 5.978 6.805 -2.445 270 HB ILE 30 HB ILE 30 5.806 8.823 -0.203 271 HG12 ILE 30 HG12 ILE 30 7.896 9.568 -1.848 272 HG13 ILE 30 HG13 ILE 30 6.655 9.072 -2.995 273 HG21 ILE 30 HG21 ILE 30 7.733 8.000 0.600 274 HG22 ILE 30 HG22 ILE 30 8.409 7.745 -1.009 275 HG23 ILE 30 HG23 ILE 30 7.309 6.554 -0.317 276 HD11 ILE 30 HD11 ILE 30 6.887 11.534 -1.776 277 HD12 ILE 30 HD12 ILE 30 5.579 10.745 -0.894 278 HD13 ILE 30 HD13 ILE 30 5.481 10.920 -2.647 279 H PHE 31 H PHE 31 3.385 7.652 -0.223 280 HA PHE 31 HA PHE 31 3.897 5.538 1.627 281 HB2 PHE 31 HB2 PHE 31 1.471 7.279 1.155 282 HB3 PHE 31 HB3 PHE 31 1.581 6.096 2.455 283 HD1 PHE 31 HD1 PHE 31 4.134 6.371 3.609 284 HD2 PHE 31 HD2 PHE 31 1.658 9.414 1.957 285 HE1 PHE 31 HE1 PHE 31 5.244 8.043 5.033 286 HE2 PHE 31 HE2 PHE 31 2.765 11.091 3.375 287 HZ PHE 31 HZ PHE 31 4.560 10.406 4.917 288 H GLU 32 H GLU 32 1.805 5.939 -1.183 289 HA GLU 32 HA GLU 32 0.309 3.579 -0.883 290 HB2 GLU 32 HB2 GLU 32 -0.337 5.361 -2.437 291 HB3 GLU 32 HB3 GLU 32 1.091 5.046 -3.411 292 HG2 GLU 32 HG2 GLU 32 -0.266 2.596 -3.163 293 HG3 GLU 32 HG3 GLU 32 -1.484 3.818 -3.524 294 H GLU 33 H GLU 33 3.390 4.242 -2.471 295 HA GLU 33 HA GLU 33 3.700 1.569 -3.464 296 HB2 GLU 33 HB2 GLU 33 4.917 4.031 -3.951 297 HB3 GLU 33 HB3 GLU 33 6.178 3.067 -3.195 298 HG2 GLU 33 HG2 GLU 33 6.563 2.127 -5.155 299 HG3 GLU 33 HG3 GLU 33 4.963 1.390 -5.077 300 H LEU 34 H LEU 34 4.602 3.325 -0.586 301 HA LEU 34 HA LEU 34 6.576 1.613 0.419 302 HB2 LEU 34 HB2 LEU 34 5.727 3.937 1.245 303 HB3 LEU 34 HB3 LEU 34 4.612 2.990 2.211 304 HG LEU 34 HG LEU 34 7.622 2.791 2.334 305 HD11 LEU 34 HD11 LEU 34 6.285 4.869 3.257 306 HD12 LEU 34 HD12 LEU 34 7.612 4.147 4.169 307 HD13 LEU 34 HD13 LEU 34 5.943 3.760 4.585 308 HD21 LEU 34 HD21 LEU 34 5.419 1.393 3.828 309 HD22 LEU 34 HD22 LEU 34 7.073 1.489 4.431 310 HD23 LEU 34 HD23 LEU 34 6.740 0.677 2.904 311 H TYR 35 H TYR 35 3.069 1.655 1.000 312 HA TYR 35 HA TYR 35 3.093 -0.689 2.614 313 HB2 TYR 35 HB2 TYR 35 0.818 -0.384 2.839 314 HB3 TYR 35 HB3 TYR 35 1.316 1.245 2.403 315 HD1 TYR 35 HD1 TYR 35 -0.114 -1.887 0.997 316 HD2 TYR 35 HD2 TYR 35 0.420 2.306 0.524 317 HE1 TYR 35 HE1 TYR 35 -1.694 -1.905 -0.886 318 HE2 TYR 35 HE2 TYR 35 -1.161 2.301 -1.361 319 HH TYR 35 HH TYR 35 -2.046 0.704 -3.019 320 H LYS 36 H LYS 36 2.969 -0.113 -0.796 321 HA LYS 36 HA LYS 36 1.820 -2.589 -1.572 322 HB2 LYS 36 HB2 LYS 36 3.038 -0.282 -2.883 323 HB3 LYS 36 HB3 LYS 36 3.407 -1.797 -3.697 324 HG2 LYS 36 HG2 LYS 36 1.158 -2.249 -4.131 325 HG3 LYS 36 HG3 LYS 36 0.601 -1.076 -2.937 326 HD2 LYS 36 HD2 LYS 36 1.613 0.719 -4.369 327 HD3 LYS 36 HD3 LYS 36 1.900 -0.514 -5.598 328 HE2 LYS 36 HE2 LYS 36 -0.836 -0.182 -4.448 329 HE3 LYS 36 HE3 LYS 36 -0.265 0.955 -5.668 330 HZ1 LYS 36 HZ1 LYS 36 -0.003 -1.928 -6.169 331 HZ2 LYS 36 HZ2 LYS 36 -0.194 -0.658 -7.272 332 HZ3 LYS 36 HZ3 LYS 36 -1.516 -1.196 -6.366 333 H TYR 37 H TYR 37 5.204 -1.463 -1.444 334 HA TYR 37 HA TYR 37 6.272 -3.981 -2.223 335 HB2 TYR 37 HB2 TYR 37 8.355 -3.000 -2.064 336 HB3 TYR 37 HB3 TYR 37 7.340 -1.582 -2.289 337 HD1 TYR 37 HD1 TYR 37 9.108 -3.593 0.278 338 HD2 TYR 37 HD2 TYR 37 7.298 0.138 -0.677 339 HE1 TYR 37 HE1 TYR 37 10.023 -2.627 2.346 340 HE2 TYR 37 HE2 TYR 37 8.211 1.115 1.389 341 HH TYR 37 HH TYR 37 10.095 0.692 2.951 342 H ALA 38 H ALA 38 5.414 -2.542 0.832 343 HA ALA 38 HA ALA 38 6.857 -4.179 2.576 344 HB1 ALA 38 HB1 ALA 38 5.175 -2.102 2.909 345 HB2 ALA 38 HB2 ALA 38 5.696 -3.162 4.219 346 HB3 ALA 38 HB3 ALA 38 4.141 -3.431 3.435 347 H LEU 39 H LEU 39 3.924 -4.765 0.774 348 HA LEU 39 HA LEU 39 3.051 -7.050 2.203 349 HB2 LEU 39 HB2 LEU 39 2.518 -5.998 -0.559 350 HB3 LEU 39 HB3 LEU 39 1.862 -7.538 -0.035 351 HG LEU 39 HG LEU 39 1.363 -5.229 1.751 352 HD11 LEU 39 HD11 LEU 39 1.071 -4.419 -0.652 353 HD12 LEU 39 HD12 LEU 39 -0.296 -4.226 0.444 354 HD13 LEU 39 HD13 LEU 39 -0.290 -5.538 -0.733 355 HD21 LEU 39 HD21 LEU 39 -0.384 -6.477 2.438 356 HD22 LEU 39 HD22 LEU 39 0.524 -7.792 1.690 357 HD23 LEU 39 HD23 LEU 39 -0.785 -7.008 0.805 358 H ASN 40 H ASN 40 5.250 -6.579 -0.499 359 HA ASN 40 HA ASN 40 5.517 -9.245 -1.311 360 HB2 ASN 40 HB2 ASN 40 6.465 -6.969 -2.293 361 HB3 ASN 40 HB3 ASN 40 7.895 -7.444 -1.384 362 HD21 ASN 40 HD21 ASN 40 8.672 -7.388 -3.697 363 HD22 ASN 40 HD22 ASN 40 8.591 -8.874 -4.574 364 H GLU 41 H GLU 41 6.926 -7.487 1.356 365 HA GLU 41 HA GLU 41 9.003 -9.299 1.972 366 HB2 GLU 41 HB2 GLU 41 7.512 -7.491 3.882 367 HB3 GLU 41 HB3 GLU 41 9.113 -8.180 4.121 368 HG2 GLU 41 HG2 GLU 41 8.488 -6.340 1.836 369 HG3 GLU 41 HG3 GLU 41 8.988 -5.748 3.419 370 H ASN 42 H ASN 42 5.595 -9.224 2.737 371 HA ASN 42 HA ASN 42 5.630 -11.134 4.823 372 HB2 ASN 42 HB2 ASN 42 3.493 -10.117 2.966 373 HB3 ASN 42 HB3 ASN 42 3.162 -11.427 4.096 374 HD21 ASN 42 HD21 ASN 42 1.582 -9.659 4.722 375 HD22 ASN 42 HD22 ASN 42 2.100 -8.577 5.965 376 H SER 43 H SER 43 5.509 -11.385 1.333 377 HA SER 43 HA SER 43 5.212 -14.296 1.515 378 HB2 SER 43 HB2 SER 43 4.945 -12.361 -0.786 379 HB3 SER 43 HB3 SER 43 4.985 -14.109 -1.017 380 HG SER 43 HG SER 43 2.890 -13.796 -0.756 381 H ASN 44 H ASN 44 7.082 -15.328 1.775 382 HA ASN 44 HA ASN 44 9.148 -15.077 -0.191 383 HB2 ASN 44 HB2 ASN 44 9.378 -13.400 2.032 384 HB3 ASN 44 HB3 ASN 44 10.458 -14.746 2.379 385 HD21 ASN 44 HD21 ASN 44 11.992 -15.327 0.655 386 HD22 ASN 44 HD22 ASN 44 12.666 -14.053 -0.299 387 H ASP 45 H ASP 45 9.862 -17.066 -0.550 388 HA ASP 45 HA ASP 45 9.339 -19.153 1.399 389 HB2 ASP 45 HB2 ASP 45 10.325 -19.191 -1.453 390 HB3 ASP 45 HB3 ASP 45 10.236 -20.643 -0.460 391 H ARG 46 H ARG 46 11.087 -20.870 1.660 392 HA ARG 46 HA ARG 46 13.386 -19.625 2.797 393 HB2 ARG 46 HB2 ARG 46 12.061 -22.052 3.120 394 HB3 ARG 46 HB3 ARG 46 13.618 -22.504 2.443 395 HG2 ARG 46 HG2 ARG 46 14.162 -22.532 4.641 396 HG3 ARG 46 HG3 ARG 46 14.491 -20.831 4.304 397 HD2 ARG 46 HD2 ARG 46 11.766 -21.687 5.193 398 HD3 ARG 46 HD3 ARG 46 13.060 -21.488 6.376 399 HE ARG 46 HE ARG 46 13.143 -19.170 4.995 400 HH11 ARG 46 HH11 ARG 46 10.554 -20.901 6.571 401 HH12 ARG 46 HH12 ARG 46 9.659 -19.468 6.949 402 HH21 ARG 46 HH21 ARG 46 11.967 -17.285 5.492 403 HH22 ARG 46 HH22 ARG 46 10.461 -17.415 6.337 404 H SER 47 H SER 47 15.485 -19.597 2.110 405 HA SER 47 HA SER 47 15.896 -20.140 -0.728 406 HB2 SER 47 HB2 SER 47 16.587 -17.975 0.632 407 HB3 SER 47 HB3 SER 47 18.019 -18.937 0.999 408 HG SER 47 HG SER 47 18.648 -18.179 -0.869 409 H GLU 48 H GLU 48 18.367 -20.780 -1.135 410 HA GLU 48 HA GLU 48 18.805 -23.248 0.411 411 HB2 GLU 48 HB2 GLU 48 18.385 -23.016 -2.277 412 HB3 GLU 48 HB3 GLU 48 20.143 -22.996 -2.201 413 HG2 GLU 48 HG2 GLU 48 20.269 -25.137 -1.374 414 HG3 GLU 48 HG3 GLU 48 18.636 -25.092 -0.713 415 H HIS 49 H HIS 49 20.477 -20.589 -1.241 416 HA HIS 49 HA HIS 49 22.555 -20.649 0.782 417 HB2 HIS 49 HB2 HIS 49 23.087 -22.167 -1.345 418 HB3 HIS 49 HB3 HIS 49 23.564 -20.613 -2.022 419 HD1 HIS 49 HD1 HIS 49 24.407 -20.091 1.290 420 HD2 HIS 49 HD2 HIS 49 26.012 -22.547 -1.653 421 HE1 HIS 49 HE1 HIS 49 26.760 -20.579 2.032 422 HE2 HIS 49 HE2 HIS 49 27.739 -21.995 0.193 423 H HIS 50 H HIS 50 21.600 -18.612 1.285 424 HA HIS 50 HA HIS 50 22.329 -16.483 -0.617 425 HB2 HIS 50 HB2 HIS 50 19.785 -17.069 0.341 426 HB3 HIS 50 HB3 HIS 50 20.306 -15.711 1.332 427 HD1 HIS 50 HD1 HIS 50 18.085 -15.758 -1.021 428 HD2 HIS 50 HD2 HIS 50 21.915 -14.156 -1.188 429 HE1 HIS 50 HE1 HIS 50 18.010 -14.029 -2.845 430 HE2 HIS 50 HE2 HIS 50 20.315 -13.010 -2.867 431 H LYS 51 H LYS 51 24.091 -17.554 1.326 432 HA LYS 51 HA LYS 51 24.422 -15.193 3.049 433 HB2 LYS 51 HB2 LYS 51 23.576 -17.185 4.326 434 HB3 LYS 51 HB3 LYS 51 25.065 -18.018 3.899 435 HG2 LYS 51 HG2 LYS 51 26.195 -15.914 4.967 436 HG3 LYS 51 HG3 LYS 51 24.633 -15.747 5.772 437 HD2 LYS 51 HD2 LYS 51 24.985 -18.299 6.289 438 HD3 LYS 51 HD3 LYS 51 26.685 -17.896 6.027 439 HE2 LYS 51 HE2 LYS 51 26.269 -17.663 8.354 440 HE3 LYS 51 HE3 LYS 51 26.394 -16.036 7.690 441 HZ1 LYS 51 HZ1 LYS 51 24.070 -17.425 8.781 442 HZ2 LYS 51 HZ2 LYS 51 23.798 -16.374 7.484 443 HZ3 LYS 51 HZ3 LYS 51 24.513 -15.798 8.903 444 H LYS 52 H LYS 52 26.178 -14.173 2.355 445 HA LYS 52 HA LYS 52 28.613 -15.738 1.885 446 HB2 LYS 52 HB2 LYS 52 27.368 -13.738 0.013 447 HB3 LYS 52 HB3 LYS 52 29.096 -14.069 -0.023 448 HG2 LYS 52 HG2 LYS 52 28.342 -15.513 -1.627 449 HG3 LYS 52 HG3 LYS 52 28.313 -16.558 -0.205 450 HD2 LYS 52 HD2 LYS 52 25.848 -15.505 -0.042 451 HD3 LYS 52 HD3 LYS 52 26.083 -15.440 -1.790 452 HE2 LYS 52 HE2 LYS 52 26.894 -17.968 -0.541 453 HE3 LYS 52 HE3 LYS 52 25.172 -17.608 -0.410 454 HZ1 LYS 52 HZ1 LYS 52 26.272 -18.797 -2.517 455 HZ2 LYS 52 HZ2 LYS 52 26.350 -17.186 -3.028 456 HZ3 LYS 52 HZ3 LYS 52 24.862 -17.869 -2.608 457 HA PRO 53 HA PRO 53 30.335 -12.566 4.462 458 HB2 PRO 53 HB2 PRO 53 32.959 -13.036 4.066 459 HB3 PRO 53 HB3 PRO 53 31.935 -14.146 4.983 460 HG2 PRO 53 HG2 PRO 53 32.851 -14.328 2.139 461 HG3 PRO 53 HG3 PRO 53 32.769 -15.601 3.372 462 HD2 PRO 53 HD2 PRO 53 30.881 -15.271 1.433 463 HD3 PRO 53 HD3 PRO 53 30.526 -15.958 3.030 464 H ARG 54 H ARG 54 32.104 -10.821 4.318 465 HA ARG 54 HA ARG 54 31.904 -9.541 1.675 466 HB2 ARG 54 HB2 ARG 54 30.891 -8.436 3.762 467 HB3 ARG 54 HB3 ARG 54 32.550 -8.123 4.252 468 HG2 ARG 54 HG2 ARG 54 32.615 -7.156 1.743 469 HG3 ARG 54 HG3 ARG 54 30.923 -6.860 2.150 470 HD2 ARG 54 HD2 ARG 54 31.545 -5.586 4.079 471 HD3 ARG 54 HD3 ARG 54 33.241 -6.027 3.885 472 HE ARG 54 HE ARG 54 32.628 -4.776 1.555 473 HH11 ARG 54 HH11 ARG 54 32.326 -3.905 4.920 474 HH12 ARG 54 HH12 ARG 54 32.519 -2.208 4.627 475 HH21 ARG 54 HH21 ARG 54 32.882 -2.545 1.168 476 HH22 ARG 54 HH22 ARG 54 32.834 -1.437 2.497 477 H ILE 55 H ILE 55 33.699 -9.458 0.509 478 HA ILE 55 HA ILE 55 36.292 -9.626 1.898 479 HB ILE 55 HB ILE 55 35.761 -10.330 -0.987 480 HG12 ILE 55 HG12 ILE 55 34.484 -11.832 0.469 481 HG13 ILE 55 HG13 ILE 55 35.835 -12.684 -0.273 482 HG21 ILE 55 HG21 ILE 55 38.003 -10.111 -0.983 483 HG22 ILE 55 HG22 ILE 55 37.953 -11.716 -0.255 484 HG23 ILE 55 HG23 ILE 55 38.125 -10.288 0.767 485 HD11 ILE 55 HD11 ILE 55 37.093 -12.181 1.895 486 HD12 ILE 55 HD12 ILE 55 35.828 -13.410 1.935 487 HD13 ILE 55 HD13 ILE 55 35.509 -11.794 2.565 488 H ASP 56 H ASP 56 37.067 -7.617 2.115 489 HA ASP 56 HA ASP 56 37.769 -6.119 -0.220 490 HB2 ASP 56 HB2 ASP 56 35.373 -5.383 1.322 491 HB3 ASP 56 HB3 ASP 56 36.505 -4.060 1.069 492 H ASP 57 H ASP 57 37.198 -5.679 3.275 493 HA ASP 57 HA ASP 57 39.915 -4.559 3.479 494 HB2 ASP 57 HB2 ASP 57 37.344 -3.858 4.783 495 HB3 ASP 57 HB3 ASP 57 38.782 -3.778 5.796 496 H SER 58 H SER 58 40.948 -4.921 5.657 497 HA SER 58 HA SER 58 40.239 -7.551 6.765 498 HB2 SER 58 HB2 SER 58 43.090 -6.660 6.313 499 HB3 SER 58 HB3 SER 58 42.519 -8.263 6.777 500 HG SER 58 HG SER 58 43.011 -8.203 4.568 501 H SER 59 H SER 59 42.580 -4.916 7.331 502 HA SER 59 HA SER 59 41.459 -4.451 9.964 503 HB2 SER 59 HB2 SER 59 43.982 -4.591 10.814 504 HB3 SER 59 HB3 SER 59 42.921 -5.999 10.824 505 HG SER 59 HG SER 59 44.586 -5.372 8.626 506 H ASP 60 H ASP 60 41.656 -2.371 10.574 507 HA ASP 60 HA ASP 60 43.234 -0.613 8.828 508 HB2 ASP 60 HB2 ASP 60 40.646 -0.365 10.203 509 HB3 ASP 60 HB3 ASP 60 41.668 1.063 10.327 510 H LEU 61 H LEU 61 42.572 -1.356 12.216 511 HA LEU 61 HA LEU 61 44.236 0.630 13.334 512 HB2 LEU 61 HB2 LEU 61 43.121 -1.963 14.346 513 HB3 LEU 61 HB3 LEU 61 44.255 -1.044 15.317 514 HG LEU 61 HG LEU 61 41.893 -0.621 15.919 515 HD11 LEU 61 HD11 LEU 61 43.682 1.066 16.269 516 HD12 LEU 61 HD12 LEU 61 42.076 1.764 16.065 517 HD13 LEU 61 HD13 LEU 61 43.230 1.805 14.732 518 HD21 LEU 61 HD21 LEU 61 40.903 -0.877 13.706 519 HD22 LEU 61 HD22 LEU 61 41.733 0.576 13.154 520 HD23 LEU 61 HD23 LEU 61 40.492 0.690 14.401 521 H LEU 62 H LEU 62 46.086 -0.256 14.912 522 HA LEU 62 HA LEU 62 47.981 -1.668 13.158 523 HB2 LEU 62 HB2 LEU 62 48.287 0.518 15.166 524 HB3 LEU 62 HB3 LEU 62 49.636 -0.571 14.898 525 HG LEU 62 HG LEU 62 49.372 0.020 12.407 526 HD11 LEU 62 HD11 LEU 62 47.615 2.062 13.709 527 HD12 LEU 62 HD12 LEU 62 47.333 1.111 12.250 528 HD13 LEU 62 HD13 LEU 62 48.494 2.438 12.228 529 HD21 LEU 62 HD21 LEU 62 50.220 2.451 13.847 530 HD22 LEU 62 HD22 LEU 62 51.082 1.473 12.657 531 HD23 LEU 62 HD23 LEU 62 50.998 0.945 14.338 532 H LYS 63 H LYS 63 48.263 -3.723 13.694 533 HA LYS 63 HA LYS 63 48.568 -5.626 14.901 534 HB2 LYS 63 HB2 LYS 63 49.908 -3.527 16.378 535 HB3 LYS 63 HB3 LYS 63 49.308 -4.773 17.463 536 HG2 LYS 63 HG2 LYS 63 51.608 -5.197 16.747 537 HG3 LYS 63 HG3 LYS 63 50.507 -6.473 16.226 538 HD2 LYS 63 HD2 LYS 63 50.445 -4.710 14.115 539 HD3 LYS 63 HD3 LYS 63 52.126 -4.631 14.644 540 HE2 LYS 63 HE2 LYS 63 52.123 -7.159 14.598 541 HE3 LYS 63 HE3 LYS 63 50.567 -7.053 13.777 542 HZ1 LYS 63 HZ1 LYS 63 53.228 -6.503 12.774 543 HZ2 LYS 63 HZ2 LYS 63 52.042 -5.394 12.300 544 HZ3 LYS 63 HZ3 LYS 63 51.850 -7.037 11.952 545 H THR 64 H THR 64 47.929 -6.726 17.070 546 HA THR 64 HA THR 64 45.145 -5.971 17.584 547 HB THR 64 HB THR 64 45.559 -8.265 16.810 548 HG1 THR 64 HG1 THR 64 44.732 -8.122 19.518 549 HG21 THR 64 HG21 THR 64 46.532 -9.837 18.608 550 HG22 THR 64 HG22 THR 64 47.347 -8.387 19.196 551 HG23 THR 64 HG23 THR 64 47.632 -8.951 17.550 552 H ASP 65 H ASP 65 47.361 -4.548 18.815 553 HA ASP 65 HA ASP 65 47.443 -5.422 21.571 554 HB2 ASP 65 HB2 ASP 65 48.596 -3.021 20.143 555 HB3 ASP 65 HB3 ASP 65 48.770 -3.287 21.876 556 H GLU 66 H GLU 66 46.346 -2.464 19.903 557 HA GLU 66 HA GLU 66 44.294 -2.165 21.993 558 HB2 GLU 66 HB2 GLU 66 44.593 0.300 21.820 559 HB3 GLU 66 HB3 GLU 66 45.999 -0.531 22.470 560 HG2 GLU 66 HG2 GLU 66 47.149 -0.342 20.372 561 HG3 GLU 66 HG3 GLU 66 45.715 0.333 19.603 562 H ILE 67 H ILE 67 42.551 -0.574 21.271 563 HA ILE 67 HA ILE 67 42.127 -0.241 18.461 564 HB ILE 67 HB ILE 67 41.569 -2.626 18.660 565 HG12 ILE 67 HG12 ILE 67 38.875 -1.461 18.328 566 HG13 ILE 67 HG13 ILE 67 40.143 -0.706 17.366 567 HG21 ILE 67 HG21 ILE 67 39.767 -3.420 20.015 568 HG22 ILE 67 HG22 ILE 67 39.355 -1.782 20.519 569 HG23 ILE 67 HG23 ILE 67 40.870 -2.514 21.050 570 HD11 ILE 67 HD11 ILE 67 38.760 -2.716 16.435 571 HD12 ILE 67 HD12 ILE 67 39.914 -3.671 17.367 572 HD13 ILE 67 HD13 ILE 67 40.488 -2.580 16.104 573 H1 GLY 68 H1 GLY 68 8.615 21.319 21.146 574 H2 GLY 68 H2 GLY 68 9.421 21.755 22.567 575 H3 GLY 68 H3 GLY 68 8.446 20.372 22.538 576 HA2 GLY 68 HA2 GLY 68 10.568 20.416 20.568 577 HA3 GLY 68 HA3 GLY 68 11.104 20.338 22.240 578 H HIS 69 H HIS 69 10.185 18.539 19.608 579 HA HIS 69 HA HIS 69 9.396 16.245 21.276 580 HB2 HIS 69 HB2 HIS 69 8.737 17.037 18.467 581 HB3 HIS 69 HB3 HIS 69 8.729 15.331 18.902 582 HD1 HIS 69 HD1 HIS 69 7.514 18.112 21.148 583 HD2 HIS 69 HD2 HIS 69 6.008 14.956 18.905 584 HE1 HIS 69 HE1 HIS 69 5.080 17.953 21.760 585 HE2 HIS 69 HE2 HIS 69 4.171 16.095 20.323 586 H MET 70 H MET 70 10.360 14.216 20.911 587 HA MET 70 HA MET 70 13.009 14.385 19.646 588 HB2 MET 70 HB2 MET 70 11.954 12.671 21.888 589 HB3 MET 70 HB3 MET 70 13.470 12.316 21.071 590 HG2 MET 70 HG2 MET 70 14.270 14.580 21.698 591 HG3 MET 70 HG3 MET 70 12.789 14.800 22.627 592 HE1 MET 70 HE1 MET 70 15.904 14.982 23.665 593 HE2 MET 70 HE2 MET 70 15.723 14.265 25.264 594 HE3 MET 70 HE3 MET 70 14.517 15.404 24.668 595 H MET 71 H MET 71 11.959 14.012 17.562 596 HA MET 71 HA MET 71 11.434 12.695 15.783 597 HB2 MET 71 HB2 MET 71 12.555 10.493 17.528 598 HB3 MET 71 HB3 MET 71 12.263 10.378 15.798 599 HG2 MET 71 HG2 MET 71 14.124 11.512 15.271 600 HG3 MET 71 HG3 MET 71 13.959 12.624 16.630 601 HE1 MET 71 HE1 MET 71 17.357 11.575 17.711 602 HE2 MET 71 HE2 MET 71 16.070 12.531 18.447 603 HE3 MET 71 HE3 MET 71 16.399 12.679 16.721 604 H SER 72 H SER 72 10.157 10.628 15.149 605 HA SER 72 HA SER 72 8.045 10.061 17.102 606 HB2 SER 72 HB2 SER 72 7.487 11.929 15.346 607 HB3 SER 72 HB3 SER 72 7.279 10.566 14.248 608 HG SER 72 HG SER 72 5.409 11.401 15.614 609 H LYS 73 H LYS 73 7.754 7.944 17.286 610 HA LYS 73 HA LYS 73 7.767 5.711 16.857 611 HB2 LYS 73 HB2 LYS 73 6.953 6.952 14.303 612 HB3 LYS 73 HB3 LYS 73 7.527 5.294 14.190 613 HG2 LYS 73 HG2 LYS 73 5.652 5.673 16.375 614 HG3 LYS 73 HG3 LYS 73 4.968 6.099 14.805 615 HD2 LYS 73 HD2 LYS 73 4.549 3.761 15.274 616 HD3 LYS 73 HD3 LYS 73 5.683 3.906 13.929 617 HE2 LYS 73 HE2 LYS 73 7.268 2.800 15.040 618 HE3 LYS 73 HE3 LYS 73 7.057 3.801 16.475 619 HZ1 LYS 73 HZ1 LYS 73 6.580 1.528 17.008 620 HZ2 LYS 73 HZ2 LYS 73 5.465 1.405 15.741 621 HZ3 LYS 73 HZ3 LYS 73 5.134 2.404 17.064 622 H LEU 74 H LEU 74 8.834 4.029 15.153 623 HA LEU 74 HA LEU 74 11.539 4.921 14.494 624 HB2 LEU 74 HB2 LEU 74 10.812 2.747 16.423 625 HB3 LEU 74 HB3 LEU 74 12.303 2.648 15.506 626 HG LEU 74 HG LEU 74 12.533 5.152 16.502 627 HD11 LEU 74 HD11 LEU 74 10.824 5.421 17.959 628 HD12 LEU 74 HD12 LEU 74 11.925 4.563 19.039 629 HD13 LEU 74 HD13 LEU 74 10.630 3.687 18.224 630 HD21 LEU 74 HD21 LEU 74 14.207 4.292 17.870 631 HD22 LEU 74 HD22 LEU 74 14.054 3.074 16.603 632 HD23 LEU 74 HD23 LEU 74 13.320 2.800 18.183 633 H PHE 75 H PHE 75 9.105 4.116 12.982 634 HA PHE 75 HA PHE 75 9.733 1.556 11.825 635 HB2 PHE 75 HB2 PHE 75 7.793 1.842 10.482 636 HB3 PHE 75 HB3 PHE 75 7.396 2.501 12.064 637 HD1 PHE 75 HD1 PHE 75 8.135 3.314 8.565 638 HD2 PHE 75 HD2 PHE 75 6.959 4.840 12.359 639 HE1 PHE 75 HE1 PHE 75 7.461 5.430 7.502 640 HE2 PHE 75 HE2 PHE 75 6.283 6.956 11.304 641 HZ PHE 75 HZ PHE 75 6.534 7.253 8.872 642 H LEU 76 H LEU 76 10.927 4.670 11.407 643 HA LEU 76 HA LEU 76 11.606 4.253 8.592 644 HB2 LEU 76 HB2 LEU 76 12.190 6.655 10.319 645 HB3 LEU 76 HB3 LEU 76 12.314 6.554 8.573 646 HG LEU 76 HG LEU 76 9.648 5.869 9.276 647 HD11 LEU 76 HD11 LEU 76 9.632 6.947 11.312 648 HD12 LEU 76 HD12 LEU 76 9.115 8.230 10.218 649 HD13 LEU 76 HD13 LEU 76 10.782 8.178 10.789 650 HD21 LEU 76 HD21 LEU 76 10.828 7.118 7.259 651 HD22 LEU 76 HD22 LEU 76 10.328 8.539 8.176 652 HD23 LEU 76 HD23 LEU 76 9.124 7.366 7.642 653 H ASP 77 H ASP 77 12.797 2.703 10.822 654 HA ASP 77 HA ASP 77 15.613 3.440 10.373 655 HB2 ASP 77 HB2 ASP 77 14.381 3.445 12.808 656 HB3 ASP 77 HB3 ASP 77 15.027 1.808 12.757 657 H GLU 78 H GLU 78 13.400 0.752 11.079 658 HA GLU 78 HA GLU 78 15.257 -1.291 10.436 659 HB2 GLU 78 HB2 GLU 78 12.233 -1.375 10.461 660 HB3 GLU 78 HB3 GLU 78 13.291 -2.779 10.419 661 HG2 GLU 78 HG2 GLU 78 13.570 -0.803 12.630 662 HG3 GLU 78 HG3 GLU 78 12.248 -1.969 12.664 663 H LEU 79 H LEU 79 12.388 -0.148 8.647 664 HA LEU 79 HA LEU 79 12.818 -1.562 6.301 665 HB2 LEU 79 HB2 LEU 79 11.252 -0.124 5.285 666 HB3 LEU 79 HB3 LEU 79 10.790 -0.199 6.971 667 HG LEU 79 HG LEU 79 12.222 1.993 7.163 668 HD11 LEU 79 HD11 LEU 79 11.847 1.628 4.244 669 HD12 LEU 79 HD12 LEU 79 13.162 2.398 5.133 670 HD13 LEU 79 HD13 LEU 79 11.635 3.250 4.903 671 HD21 LEU 79 HD21 LEU 79 10.250 3.226 7.066 672 HD22 LEU 79 HD22 LEU 79 9.693 1.587 7.396 673 HD23 LEU 79 HD23 LEU 79 9.585 2.242 5.763 674 HA PRO 80 HA PRO 80 16.094 0.078 3.844 675 HB2 PRO 80 HB2 PRO 80 14.069 1.477 2.135 676 HB3 PRO 80 HB3 PRO 80 15.456 0.491 1.652 677 HG2 PRO 80 HG2 PRO 80 13.002 -0.525 1.588 678 HG3 PRO 80 HG3 PRO 80 14.374 -1.507 2.138 679 HD2 PRO 80 HD2 PRO 80 12.186 -0.258 3.715 680 HD3 PRO 80 HD3 PRO 80 13.090 -1.751 4.026 681 H GLU 81 H GLU 81 16.872 1.485 5.452 682 HA GLU 81 HA GLU 81 15.916 3.973 6.158 683 HB2 GLU 81 HB2 GLU 81 17.750 2.804 7.316 684 HB3 GLU 81 HB3 GLU 81 18.814 3.131 5.953 685 HG2 GLU 81 HG2 GLU 81 19.178 5.254 6.578 686 HG3 GLU 81 HG3 GLU 81 17.513 5.496 7.105 687 H SER 82 H SER 82 17.553 3.032 3.249 688 HA SER 82 HA SER 82 18.486 5.564 2.428 689 HB2 SER 82 HB2 SER 82 19.270 3.496 1.380 690 HB3 SER 82 HB3 SER 82 17.651 3.181 0.753 691 HG SER 82 HG SER 82 17.846 5.124 -0.460 692 H LEU 83 H LEU 83 15.392 3.927 2.076 693 HA LEU 83 HA LEU 83 14.291 5.957 0.354 694 HB2 LEU 83 HB2 LEU 83 12.878 3.759 1.867 695 HB3 LEU 83 HB3 LEU 83 12.206 4.716 0.560 696 HG LEU 83 HG LEU 83 14.488 2.753 0.320 697 HD11 LEU 83 HD11 LEU 83 11.568 2.577 -0.087 698 HD12 LEU 83 HD12 LEU 83 12.732 1.332 0.370 699 HD13 LEU 83 HD13 LEU 83 12.587 1.826 -1.316 700 HD21 LEU 83 HD21 LEU 83 14.420 3.185 -2.045 701 HD22 LEU 83 HD22 LEU 83 14.668 4.710 -1.194 702 HD23 LEU 83 HD23 LEU 83 13.076 4.310 -1.841 703 H SER 84 H SER 84 14.174 5.139 3.775 704 HA SER 84 HA SER 84 12.098 6.791 4.599 705 HB2 SER 84 HB2 SER 84 13.215 6.777 6.822 706 HB3 SER 84 HB3 SER 84 13.107 5.171 6.103 707 HG SER 84 HG SER 84 15.188 5.639 6.988 708 H ARG 85 H ARG 85 15.363 7.582 3.687 709 HA ARG 85 HA ARG 85 15.613 10.098 4.884 710 HB2 ARG 85 HB2 ARG 85 16.872 8.708 2.582 711 HB3 ARG 85 HB3 ARG 85 17.051 10.456 2.647 712 HG2 ARG 85 HG2 ARG 85 17.594 9.292 5.220 713 HG3 ARG 85 HG3 ARG 85 18.586 8.539 3.970 714 HD2 ARG 85 HD2 ARG 85 19.905 10.324 4.565 715 HD3 ARG 85 HD3 ARG 85 18.995 11.006 3.218 716 HE ARG 85 HE ARG 85 17.502 11.628 5.407 717 HH11 ARG 85 HH11 ARG 85 20.833 12.151 4.503 718 HH12 ARG 85 HH12 ARG 85 20.975 13.624 5.404 719 HH21 ARG 85 HH21 ARG 85 17.688 13.565 6.592 720 HH22 ARG 85 HH22 ARG 85 19.192 14.426 6.589 721 H LYS 86 H LYS 86 14.077 9.104 1.877 722 HA LYS 86 HA LYS 86 13.528 11.806 1.043 723 HB2 LYS 86 HB2 LYS 86 12.436 9.185 -0.001 724 HB3 LYS 86 HB3 LYS 86 12.261 10.752 -0.780 725 HG2 LYS 86 HG2 LYS 86 14.617 10.884 -1.185 726 HG3 LYS 86 HG3 LYS 86 14.906 9.425 -0.236 727 HD2 LYS 86 HD2 LYS 86 14.846 8.398 -2.240 728 HD3 LYS 86 HD3 LYS 86 13.097 8.516 -2.040 729 HE2 LYS 86 HE2 LYS 86 12.954 10.398 -3.433 730 HE3 LYS 86 HE3 LYS 86 14.688 10.707 -3.335 731 HZ1 LYS 86 HZ1 LYS 86 15.159 9.025 -4.813 732 HZ2 LYS 86 HZ2 LYS 86 13.709 9.622 -5.445 733 HZ3 LYS 86 HZ3 LYS 86 13.710 8.200 -4.528 734 H ILE 87 H ILE 87 11.872 9.280 2.796 735 HA ILE 87 HA ILE 87 9.263 10.404 2.625 736 HB ILE 87 HB ILE 87 10.313 8.582 4.790 737 HG12 ILE 87 HG12 ILE 87 9.031 7.827 2.154 738 HG13 ILE 87 HG13 ILE 87 10.748 7.676 2.517 739 HG21 ILE 87 HG21 ILE 87 8.191 9.535 5.363 740 HG22 ILE 87 HG22 ILE 87 7.934 7.857 4.887 741 HG23 ILE 87 HG23 ILE 87 7.539 9.161 3.767 742 HD11 ILE 87 HD11 ILE 87 8.534 6.249 3.969 743 HD12 ILE 87 HD12 ILE 87 10.265 6.063 4.254 744 HD13 ILE 87 HD13 ILE 87 9.563 5.550 2.718 745 H GLY 88 H GLY 88 11.939 10.722 4.894 746 HA2 GLY 88 HA2 GLY 88 10.616 12.051 6.965 747 HA3 GLY 88 HA3 GLY 88 12.326 12.208 6.597 748 H THR 89 H THR 89 12.311 13.435 4.152 749 HA THR 89 HA THR 89 11.917 16.118 4.833 750 HB THR 89 HB THR 89 13.477 15.260 3.070 751 HG1 THR 89 HG1 THR 89 13.449 17.171 2.172 752 HG21 THR 89 HG21 THR 89 12.794 14.190 1.268 753 HG22 THR 89 HG22 THR 89 11.714 15.519 0.845 754 HG23 THR 89 HG23 THR 89 11.149 14.225 1.900 755 H VAL 90 H VAL 90 9.799 13.812 3.275 756 HA VAL 90 HA VAL 90 7.883 15.804 2.449 757 HB VAL 90 HB VAL 90 7.503 12.812 2.631 758 HG11 VAL 90 HG11 VAL 90 5.919 15.055 1.478 759 HG12 VAL 90 HG12 VAL 90 5.376 13.622 2.349 760 HG13 VAL 90 HG13 VAL 90 5.892 13.488 0.668 761 HG21 VAL 90 HG21 VAL 90 8.197 12.637 0.367 762 HG22 VAL 90 HG22 VAL 90 9.445 13.552 1.211 763 HG23 VAL 90 HG23 VAL 90 8.280 14.390 0.188 764 H VAL 91 H VAL 91 8.119 13.384 5.029 765 HA VAL 91 HA VAL 91 5.596 13.757 6.166 766 HB VAL 91 HB VAL 91 8.154 13.052 7.616 767 HG11 VAL 91 HG11 VAL 91 6.118 13.725 8.985 768 HG12 VAL 91 HG12 VAL 91 6.824 12.149 9.335 769 HG13 VAL 91 HG13 VAL 91 5.354 12.261 8.370 770 HG21 VAL 91 HG21 VAL 91 6.314 10.892 6.934 771 HG22 VAL 91 HG22 VAL 91 8.067 10.985 6.765 772 HG23 VAL 91 HG23 VAL 91 7.023 11.682 5.526 773 H ARG 92 H ARG 92 8.537 15.629 6.443 774 HA ARG 92 HA ARG 92 8.065 17.090 8.743 775 HB2 ARG 92 HB2 ARG 92 9.506 17.655 6.190 776 HB3 ARG 92 HB3 ARG 92 9.246 18.982 7.313 777 HG2 ARG 92 HG2 ARG 92 10.399 17.747 9.064 778 HG3 ARG 92 HG3 ARG 92 10.632 16.388 7.962 779 HD2 ARG 92 HD2 ARG 92 11.982 17.788 6.498 780 HD3 ARG 92 HD3 ARG 92 11.711 19.174 7.551 781 HE ARG 92 HE ARG 92 12.882 16.959 8.929 782 HH11 ARG 92 HH11 ARG 92 13.581 19.690 6.871 783 HH12 ARG 92 HH12 ARG 92 15.219 19.838 7.412 784 HH21 ARG 92 HH21 ARG 92 15.036 17.152 9.642 785 HH22 ARG 92 HH22 ARG 92 16.046 18.398 8.985 786 H VAL 93 H VAL 93 6.622 17.386 5.581 787 HA VAL 93 HA VAL 93 5.338 19.903 6.136 788 HB VAL 93 HB VAL 93 4.804 17.938 3.901 789 HG11 VAL 93 HG11 VAL 93 4.161 20.880 4.034 790 HG12 VAL 93 HG12 VAL 93 2.998 19.598 4.375 791 HG13 VAL 93 HG13 VAL 93 3.710 19.738 2.767 792 HG21 VAL 93 HG21 VAL 93 7.154 19.170 4.296 793 HG22 VAL 93 HG22 VAL 93 6.304 20.434 3.409 794 HG23 VAL 93 HG23 VAL 93 6.496 18.832 2.695 795 H LEU 94 H LEU 94 4.443 16.494 6.143 796 HA LEU 94 HA LEU 94 1.875 17.236 7.385 797 HB2 LEU 94 HB2 LEU 94 2.497 15.330 5.206 798 HB3 LEU 94 HB3 LEU 94 1.294 14.830 6.377 799 HG LEU 94 HG LEU 94 0.346 15.910 4.345 800 HD11 LEU 94 HD11 LEU 94 -1.392 16.519 5.590 801 HD12 LEU 94 HD12 LEU 94 -0.490 17.840 6.331 802 HD13 LEU 94 HD13 LEU 94 -0.381 16.213 7.002 803 HD21 LEU 94 HD21 LEU 94 1.313 18.528 5.417 804 HD22 LEU 94 HD22 LEU 94 0.706 18.133 3.809 805 HD23 LEU 94 HD23 LEU 94 2.313 17.599 4.301 806 HA PRO 95 HA PRO 95 4.335 14.559 10.304 807 HB2 PRO 95 HB2 PRO 95 3.832 16.079 12.504 808 HB3 PRO 95 HB3 PRO 95 5.202 16.368 11.427 809 HG2 PRO 95 HG2 PRO 95 2.547 17.746 11.528 810 HG3 PRO 95 HG3 PRO 95 4.165 18.447 11.329 811 HD2 PRO 95 HD2 PRO 95 2.487 18.061 9.243 812 HD3 PRO 95 HD3 PRO 95 4.252 17.928 9.083 813 H SER 96 H SER 96 1.134 15.782 10.030 814 HA SER 96 HA SER 96 0.107 14.008 12.112 815 HB2 SER 96 HB2 SER 96 -2.122 15.134 11.319 816 HB3 SER 96 HB3 SER 96 -0.985 16.052 12.305 817 HG SER 96 HG SER 96 -1.046 16.122 9.469 818 H SER 97 H SER 97 -0.020 14.521 8.616 819 HA SER 97 HA SER 97 -1.976 12.617 7.990 820 HB2 SER 97 HB2 SER 97 -0.823 14.362 6.463 821 HB3 SER 97 HB3 SER 97 0.402 13.119 6.216 822 HG SER 97 HG SER 97 -1.120 12.877 4.624 823 H LEU 98 H LEU 98 1.546 12.289 8.234 824 HA LEU 98 HA LEU 98 1.950 9.719 7.423 825 HB2 LEU 98 HB2 LEU 98 3.509 11.547 8.593 826 HB3 LEU 98 HB3 LEU 98 3.271 10.487 9.968 827 HG LEU 98 HG LEU 98 4.643 9.898 7.364 828 HD11 LEU 98 HD11 LEU 98 5.573 10.682 9.810 829 HD12 LEU 98 HD12 LEU 98 6.513 9.824 8.589 830 HD13 LEU 98 HD13 LEU 98 5.737 8.929 9.895 831 HD21 LEU 98 HD21 LEU 98 3.049 8.069 7.761 832 HD22 LEU 98 HD22 LEU 98 3.721 7.846 9.377 833 HD23 LEU 98 HD23 LEU 98 4.722 7.543 7.956 834 H GLU 99 H GLU 99 0.652 10.753 10.544 835 HA GLU 99 HA GLU 99 0.684 8.342 11.905 836 HB2 GLU 99 HB2 GLU 99 -0.031 10.709 12.678 837 HB3 GLU 99 HB3 GLU 99 -1.632 10.241 12.121 838 HG2 GLU 99 HG2 GLU 99 -1.675 9.729 14.373 839 HG3 GLU 99 HG3 GLU 99 -1.326 8.178 13.612 840 H ILE 100 H ILE 100 -1.850 9.642 9.774 841 HA ILE 100 HA ILE 100 -3.620 7.466 10.031 842 HB ILE 100 HB ILE 100 -3.344 9.288 7.639 843 HG12 ILE 100 HG12 ILE 100 -5.491 10.036 9.374 844 HG13 ILE 100 HG13 ILE 100 -4.017 9.933 10.332 845 HG21 ILE 100 HG21 ILE 100 -5.928 8.800 7.721 846 HG22 ILE 100 HG22 ILE 100 -5.399 7.346 8.567 847 HG23 ILE 100 HG23 ILE 100 -4.813 7.681 6.937 848 HD11 ILE 100 HD11 ILE 100 -4.791 12.117 8.968 849 HD12 ILE 100 HD12 ILE 100 -3.750 11.343 7.772 850 HD13 ILE 100 HD13 ILE 100 -3.115 11.744 9.370 851 H PHE 101 H PHE 101 -0.917 8.086 7.867 852 HA PHE 101 HA PHE 101 -1.420 5.856 6.157 853 HB2 PHE 101 HB2 PHE 101 1.050 7.546 6.586 854 HB3 PHE 101 HB3 PHE 101 0.918 6.295 5.354 855 HD1 PHE 101 HD1 PHE 101 -1.595 6.604 4.128 856 HD2 PHE 101 HD2 PHE 101 0.965 9.637 5.662 857 HE1 PHE 101 HE1 PHE 101 -2.607 8.231 2.586 858 HE2 PHE 101 HE2 PHE 101 -0.041 11.271 4.122 859 HZ PHE 101 HZ PHE 101 -1.831 10.569 2.581 860 H GLU 102 H GLU 102 0.316 6.337 9.141 861 HA GLU 102 HA GLU 102 2.010 4.125 9.112 862 HB2 GLU 102 HB2 GLU 102 0.654 5.622 11.339 863 HB3 GLU 102 HB3 GLU 102 1.681 4.233 11.672 864 HG2 GLU 102 HG2 GLU 102 3.271 5.705 10.028 865 HG3 GLU 102 HG3 GLU 102 2.390 6.962 10.896 866 H GLU 103 H GLU 103 -1.379 4.391 10.087 867 HA GLU 103 HA GLU 103 -1.552 1.624 10.860 868 HB2 GLU 103 HB2 GLU 103 -2.939 3.551 11.804 869 HB3 GLU 103 HB3 GLU 103 -3.869 3.474 10.313 870 HG2 GLU 103 HG2 GLU 103 -4.395 1.111 10.811 871 HG3 GLU 103 HG3 GLU 103 -3.552 1.282 12.350 872 H LEU 104 H LEU 104 -2.025 3.480 7.977 873 HA LEU 104 HA LEU 104 -3.710 1.696 6.576 874 HB2 LEU 104 HB2 LEU 104 -2.884 4.184 6.099 875 HB3 LEU 104 HB3 LEU 104 -1.717 3.337 5.103 876 HG LEU 104 HG LEU 104 -4.707 3.030 4.838 877 HD11 LEU 104 HD11 LEU 104 -4.573 5.101 3.973 878 HD12 LEU 104 HD12 LEU 104 -3.902 4.265 2.574 879 HD13 LEU 104 HD13 LEU 104 -2.826 5.012 3.756 880 HD21 LEU 104 HD21 LEU 104 -2.361 2.014 3.257 881 HD22 LEU 104 HD22 LEU 104 -3.994 2.092 2.595 882 HD23 LEU 104 HD23 LEU 104 -3.660 1.088 4.007 883 H TYR 105 H TYR 105 -0.177 2.140 6.525 884 HA TYR 105 HA TYR 105 0.300 0.003 4.726 885 HB2 TYR 105 HB2 TYR 105 2.502 0.590 4.870 886 HB3 TYR 105 HB3 TYR 105 1.810 2.054 5.554 887 HD1 TYR 105 HD1 TYR 105 3.610 -1.061 6.313 888 HD2 TYR 105 HD2 TYR 105 2.097 2.592 7.882 889 HE1 TYR 105 HE1 TYR 105 4.946 -1.390 8.351 890 HE2 TYR 105 HE2 TYR 105 3.431 2.274 9.924 891 HH TYR 105 HH TYR 105 5.949 0.336 10.194 892 H LYS 106 H LYS 106 0.017 0.216 8.201 893 HA LYS 106 HA LYS 106 1.103 -2.368 8.749 894 HB2 LYS 106 HB2 LYS 106 0.619 -0.226 10.293 895 HB3 LYS 106 HB3 LYS 106 -0.834 -1.154 10.641 896 HG2 LYS 106 HG2 LYS 106 0.268 -2.622 11.906 897 HG3 LYS 106 HG3 LYS 106 1.604 -2.746 10.759 898 HD2 LYS 106 HD2 LYS 106 2.765 -1.708 12.388 899 HD3 LYS 106 HD3 LYS 106 2.011 -0.254 11.729 900 HE2 LYS 106 HE2 LYS 106 0.383 -0.201 13.414 901 HE3 LYS 106 HE3 LYS 106 0.691 -1.873 13.883 902 HZ1 LYS 106 HZ1 LYS 106 2.968 -1.072 14.566 903 HZ2 LYS 106 HZ2 LYS 106 1.679 -0.546 15.528 904 HZ3 LYS 106 HZ3 LYS 106 2.378 0.504 14.402 905 H TYR 107 H TYR 107 -2.066 -1.113 7.991 906 HA TYR 107 HA TYR 107 -3.657 -3.239 8.851 907 HB2 TYR 107 HB2 TYR 107 -4.674 -1.169 8.159 908 HB3 TYR 107 HB3 TYR 107 -4.009 -1.325 6.538 909 HD1 TYR 107 HD1 TYR 107 -4.884 -3.130 5.030 910 HD2 TYR 107 HD2 TYR 107 -6.737 -2.177 8.739 911 HE1 TYR 107 HE1 TYR 107 -6.931 -4.276 4.293 912 HE2 TYR 107 HE2 TYR 107 -8.790 -3.322 8.012 913 HH TYR 107 HH TYR 107 -9.840 -3.867 5.602 914 H ALA 108 H ALA 108 -2.140 -2.689 5.680 915 HA ALA 108 HA ALA 108 -3.057 -5.069 4.485 916 HB1 ALA 108 HB1 ALA 108 -0.880 -3.122 3.875 917 HB2 ALA 108 HB2 ALA 108 -2.323 -3.527 2.943 918 HB3 ALA 108 HB3 ALA 108 -0.960 -4.645 2.990 919 H LEU 109 H LEU 109 -0.368 -4.387 6.593 920 HA LEU 109 HA LEU 109 1.069 -6.797 6.050 921 HB2 LEU 109 HB2 LEU 109 1.204 -4.855 8.356 922 HB3 LEU 109 HB3 LEU 109 2.298 -6.211 8.153 923 HG LEU 109 HG LEU 109 2.008 -3.943 6.181 924 HD11 LEU 109 HD11 LEU 109 3.786 -2.873 7.137 925 HD12 LEU 109 HD12 LEU 109 4.430 -4.349 7.857 926 HD13 LEU 109 HD13 LEU 109 3.028 -3.555 8.576 927 HD21 LEU 109 HD21 LEU 109 2.895 -5.569 4.873 928 HD22 LEU 109 HD22 LEU 109 3.548 -6.469 6.243 929 HD23 LEU 109 HD23 LEU 109 4.385 -5.033 5.651 930 H ASN 110 H ASN 110 -1.216 -5.763 8.548 931 HA ASN 110 HA ASN 110 -1.072 -7.992 10.211 932 HB2 ASN 110 HB2 ASN 110 -2.889 -5.752 9.813 933 HB3 ASN 110 HB3 ASN 110 -3.740 -7.213 10.307 934 HD21 ASN 110 HD21 ASN 110 -1.706 -4.653 11.264 935 HD22 ASN 110 HD22 ASN 110 -1.510 -5.117 12.917 936 H GLU 111 H GLU 111 -2.522 -7.624 7.092 937 HA GLU 111 HA GLU 111 -4.417 -9.691 7.174 938 HB2 GLU 111 HB2 GLU 111 -2.872 -8.386 4.956 939 HB3 GLU 111 HB3 GLU 111 -3.928 -9.753 4.626 940 HG2 GLU 111 HG2 GLU 111 -4.895 -7.310 6.069 941 HG3 GLU 111 HG3 GLU 111 -4.888 -7.423 4.310 942 H ASN 112 H ASN 112 -0.995 -9.817 7.170 943 HA ASN 112 HA ASN 112 -0.378 -12.123 5.808 944 HB2 ASN 112 HB2 ASN 112 1.480 -12.402 7.480 945 HB3 ASN 112 HB3 ASN 112 1.375 -10.798 6.761 946 HD21 ASN 112 HD21 ASN 112 2.433 -9.808 8.448 947 HD22 ASN 112 HD22 ASN 112 1.716 -9.596 10.006 948 H SER 113 H SER 113 -2.115 -11.801 8.800 949 HA SER 113 HA SER 113 -2.562 -14.690 8.808 950 HB2 SER 113 HB2 SER 113 -2.381 -14.526 11.400 951 HB3 SER 113 HB3 SER 113 -0.901 -14.656 10.450 952 HG SER 113 HG SER 113 -1.595 -12.739 12.140 953 H ASN 114 H ASN 114 -3.346 -12.036 11.046 954 HA ASN 114 HA ASN 114 -5.326 -11.194 11.782 955 HB2 ASN 114 HB2 ASN 114 -5.589 -10.924 9.228 956 HB3 ASN 114 HB3 ASN 114 -6.667 -12.313 9.332 957 HD21 ASN 114 HD21 ASN 114 -6.122 -9.388 11.271 958 HD22 ASN 114 HD22 ASN 114 -7.781 -8.904 11.312 959 H ASP 115 H ASP 115 -4.550 -14.151 12.083 960 HA ASP 115 HA ASP 115 -5.391 -16.046 13.018 961 HB2 ASP 115 HB2 ASP 115 -6.326 -13.876 14.473 962 HB3 ASP 115 HB3 ASP 115 -7.772 -14.845 14.202 963 H ARG 116 H ARG 116 -7.646 -17.260 13.418 964 HA ARG 116 HA ARG 116 -9.379 -18.372 12.459 965 HB2 ARG 116 HB2 ARG 116 -9.718 -15.607 11.391 966 HB3 ARG 116 HB3 ARG 116 -10.681 -16.896 10.684 967 HG2 ARG 116 HG2 ARG 116 -10.856 -17.174 13.488 968 HG3 ARG 116 HG3 ARG 116 -11.094 -15.468 13.115 969 HD2 ARG 116 HD2 ARG 116 -12.533 -17.148 11.257 970 HD3 ARG 116 HD3 ARG 116 -12.975 -17.522 12.923 971 HE ARG 116 HE ARG 116 -12.960 -14.710 12.331 972 HH11 ARG 116 HH11 ARG 116 -14.856 -17.638 12.266 973 HH12 ARG 116 HH12 ARG 116 -16.373 -16.805 12.308 974 HH21 ARG 116 HH21 ARG 116 -14.954 -13.611 12.386 975 HH22 ARG 116 HH22 ARG 116 -16.430 -14.519 12.375 976 H SER 117 H SER 117 -9.743 -19.747 10.751 977 HA SER 117 HA SER 117 -8.376 -19.268 8.223 978 HB2 SER 117 HB2 SER 117 -7.274 -21.474 8.261 979 HB3 SER 117 HB3 SER 117 -6.696 -20.440 9.567 980 HG SER 117 HG SER 117 -8.009 -22.825 9.686 981 H GLU 118 H GLU 118 -11.174 -19.636 9.367 982 HA GLU 118 HA GLU 118 -13.154 -20.516 8.694 983 HB2 GLU 118 HB2 GLU 118 -11.478 -21.152 6.268 984 HB3 GLU 118 HB3 GLU 118 -13.199 -21.502 6.348 985 HG2 GLU 118 HG2 GLU 118 -12.350 -18.748 7.013 986 HG3 GLU 118 HG3 GLU 118 -12.233 -19.250 5.327 987 H HIS 119 H HIS 119 -11.173 -22.959 7.066 988 HA HIS 119 HA HIS 119 -11.698 -24.902 9.158 989 HB2 HIS 119 HB2 HIS 119 -13.487 -24.704 7.039 990 HB3 HIS 119 HB3 HIS 119 -12.432 -26.036 6.576 991 HD1 HIS 119 HD1 HIS 119 -13.428 -28.183 7.250 992 HD2 HIS 119 HD2 HIS 119 -14.228 -25.189 10.017 993 HE1 HIS 119 HE1 HIS 119 -14.765 -29.291 9.069 994 HE2 HIS 119 HE2 HIS 119 -15.312 -27.439 10.689 995 H HIS 120 H HIS 120 -10.197 -26.513 9.232 996 HA HIS 120 HA HIS 120 -8.017 -26.322 7.277 997 HB2 HIS 120 HB2 HIS 120 -7.993 -26.386 10.058 998 HB3 HIS 120 HB3 HIS 120 -7.493 -28.008 9.594 999 HD1 HIS 120 HD1 HIS 120 -5.099 -28.284 8.979 1000 HD2 HIS 120 HD2 HIS 120 -6.309 -24.311 8.822 1001 HE1 HIS 120 HE1 HIS 120 -3.011 -26.963 8.521 1002 HE2 HIS 120 HE2 HIS 120 -3.781 -24.571 8.340 1003 H LYS 121 H LYS 121 -9.472 -28.915 9.255 1004 HA LYS 121 HA LYS 121 -9.687 -30.579 6.865 1005 HB2 LYS 121 HB2 LYS 121 -7.484 -30.875 8.399 1006 HB3 LYS 121 HB3 LYS 121 -8.580 -31.964 9.237 1007 HG2 LYS 121 HG2 LYS 121 -7.376 -33.252 7.657 1008 HG3 LYS 121 HG3 LYS 121 -9.019 -33.074 7.037 1009 HD2 LYS 121 HD2 LYS 121 -7.728 -30.897 5.967 1010 HD3 LYS 121 HD3 LYS 121 -6.480 -32.145 5.928 1011 HE2 LYS 121 HE2 LYS 121 -7.543 -33.331 4.339 1012 HE3 LYS 121 HE3 LYS 121 -9.132 -33.034 5.041 1013 HZ1 LYS 121 HZ1 LYS 121 -9.372 -31.774 3.211 1014 HZ2 LYS 121 HZ2 LYS 121 -7.708 -31.557 2.988 1015 HZ3 LYS 121 HZ3 LYS 121 -8.541 -30.612 4.118 1016 H LYS 122 H LYS 122 -10.940 -32.583 7.285 1017 HA LYS 122 HA LYS 122 -12.506 -32.762 9.678 1018 HB2 LYS 122 HB2 LYS 122 -13.675 -30.917 8.563 1019 HB3 LYS 122 HB3 LYS 122 -13.871 -31.903 7.121 1020 HG2 LYS 122 HG2 LYS 122 -15.004 -33.516 8.957 1021 HG3 LYS 122 HG3 LYS 122 -15.362 -31.934 9.654 1022 HD2 LYS 122 HD2 LYS 122 -16.960 -31.567 8.148 1023 HD3 LYS 122 HD3 LYS 122 -15.851 -31.908 6.818 1024 HE2 LYS 122 HE2 LYS 122 -16.281 -34.295 7.057 1025 HE3 LYS 122 HE3 LYS 122 -17.353 -33.978 8.420 1026 HZ1 LYS 122 HZ1 LYS 122 -17.768 -33.167 5.596 1027 HZ2 LYS 122 HZ2 LYS 122 -18.746 -32.653 6.878 1028 HZ3 LYS 122 HZ3 LYS 122 -18.671 -34.293 6.477 1029 HA PRO 123 HA PRO 123 -11.639 -36.748 7.411 1030 HB2 PRO 123 HB2 PRO 123 -12.004 -37.597 10.245 1031 HB3 PRO 123 HB3 PRO 123 -10.797 -38.114 9.062 1032 HG2 PRO 123 HG2 PRO 123 -10.141 -36.430 11.014 1033 HG3 PRO 123 HG3 PRO 123 -9.484 -36.228 9.380 1034 HD2 PRO 123 HD2 PRO 123 -11.634 -34.689 10.764 1035 HD3 PRO 123 HD3 PRO 123 -10.405 -34.128 9.612 1036 H ARG 124 H ARG 124 -12.931 -38.827 7.573 1037 HA ARG 124 HA ARG 124 -15.663 -38.469 8.524 1038 HB2 ARG 124 HB2 ARG 124 -15.159 -37.814 5.948 1039 HB3 ARG 124 HB3 ARG 124 -15.476 -39.534 5.769 1040 HG2 ARG 124 HG2 ARG 124 -17.440 -38.211 7.453 1041 HG3 ARG 124 HG3 ARG 124 -17.355 -37.524 5.831 1042 HD2 ARG 124 HD2 ARG 124 -17.302 -40.159 5.248 1043 HD3 ARG 124 HD3 ARG 124 -18.267 -40.181 6.722 1044 HE ARG 124 HE ARG 124 -19.048 -39.164 4.153 1045 HH11 ARG 124 HH11 ARG 124 -19.602 -38.953 7.592 1046 HH12 ARG 124 HH12 ARG 124 -21.217 -38.355 7.421 1047 HH21 ARG 124 HH21 ARG 124 -21.174 -38.374 3.927 1048 HH22 ARG 124 HH22 ARG 124 -22.111 -38.025 5.342 1049 H ILE 125 H ILE 125 -15.662 -40.164 9.890 1050 HA ILE 125 HA ILE 125 -15.519 -42.293 10.691 1051 HB ILE 125 HB ILE 125 -16.220 -42.991 7.840 1052 HG12 ILE 125 HG12 ILE 125 -18.229 -42.812 10.041 1053 HG13 ILE 125 HG13 ILE 125 -17.670 -41.321 9.289 1054 HG21 ILE 125 HG21 ILE 125 -16.407 -45.121 8.463 1055 HG22 ILE 125 HG22 ILE 125 -17.327 -44.689 9.903 1056 HG23 ILE 125 HG23 ILE 125 -15.565 -44.678 9.947 1057 HD11 ILE 125 HD11 ILE 125 -19.199 -41.637 7.726 1058 HD12 ILE 125 HD12 ILE 125 -19.571 -43.249 8.340 1059 HD13 ILE 125 HD13 ILE 125 -18.269 -43.028 7.171 1060 H ASP 126 H ASP 126 -13.199 -42.056 10.988 1061 HA ASP 126 HA ASP 126 -11.758 -44.203 9.765 1062 HB2 ASP 126 HB2 ASP 126 -11.640 -41.974 8.263 1063 HB3 ASP 126 HB3 ASP 126 -10.318 -41.637 9.376 1064 H ASP 127 H ASP 127 -12.554 -43.303 12.411 1065 HA ASP 127 HA ASP 127 -9.923 -43.425 13.670 1066 HB2 ASP 127 HB2 ASP 127 -11.210 -41.004 13.495 1067 HB3 ASP 127 HB3 ASP 127 -11.739 -41.590 15.068 1068 H SER 128 H SER 128 -10.553 -43.313 16.274 1069 HA SER 128 HA SER 128 -12.510 -45.489 16.603 1070 HB2 SER 128 HB2 SER 128 -11.188 -46.147 18.606 1071 HB3 SER 128 HB3 SER 128 -10.250 -46.230 17.116 1072 HG SER 128 HG SER 128 -9.250 -44.310 17.665 1073 H SER 129 H SER 129 -13.363 -45.592 18.934 1074 HA SER 129 HA SER 129 -14.337 -42.915 19.610 1075 HB2 SER 129 HB2 SER 129 -15.727 -45.214 19.255 1076 HB3 SER 129 HB3 SER 129 -15.471 -45.270 20.998 1077 HG SER 129 HG SER 129 -16.644 -43.144 19.527 1078 H ASP 130 H ASP 130 -14.170 -42.037 21.650 1079 HA ASP 130 HA ASP 130 -12.537 -43.518 23.599 1080 HB2 ASP 130 HB2 ASP 130 -11.287 -41.707 22.263 1081 HB3 ASP 130 HB3 ASP 130 -12.244 -40.549 23.183 1082 H LEU 131 H LEU 131 -12.946 -43.085 25.778 1083 HA LEU 131 HA LEU 131 -15.629 -42.159 26.317 1084 HB2 LEU 131 HB2 LEU 131 -13.465 -43.386 28.007 1085 HB3 LEU 131 HB3 LEU 131 -14.943 -42.763 28.715 1086 HG LEU 131 HG LEU 131 -16.057 -44.356 26.903 1087 HD11 LEU 131 HD11 LEU 131 -13.816 -46.150 27.569 1088 HD12 LEU 131 HD12 LEU 131 -13.491 -44.926 26.341 1089 HD13 LEU 131 HD13 LEU 131 -14.817 -46.066 26.118 1090 HD21 LEU 131 HD21 LEU 131 -15.658 -46.211 28.788 1091 HD22 LEU 131 HD22 LEU 131 -16.746 -44.840 29.004 1092 HD23 LEU 131 HD23 LEU 131 -15.114 -44.785 29.672 1093 H LEU 132 H LEU 132 -12.353 -41.034 26.783 1094 HA LEU 132 HA LEU 132 -13.388 -38.630 28.133 1095 HB2 LEU 132 HB2 LEU 132 -10.789 -40.095 28.299 1096 HB3 LEU 132 HB3 LEU 132 -10.814 -38.370 28.616 1097 HG LEU 132 HG LEU 132 -12.835 -39.952 30.076 1098 HD11 LEU 132 HD11 LEU 132 -9.953 -40.545 30.226 1099 HD12 LEU 132 HD12 LEU 132 -11.344 -41.540 30.653 1100 HD13 LEU 132 HD13 LEU 132 -10.772 -40.300 31.769 1101 HD21 LEU 132 HD21 LEU 132 -10.856 -37.849 30.943 1102 HD22 LEU 132 HD22 LEU 132 -12.241 -38.440 31.863 1103 HD23 LEU 132 HD23 LEU 132 -12.494 -37.527 30.375 1104 H LYS 133 H LYS 133 -11.817 -36.686 27.705 1105 HA LYS 133 HA LYS 133 -10.742 -36.588 25.027 1106 HB2 LYS 133 HB2 LYS 133 -13.394 -36.062 25.189 1107 HB3 LYS 133 HB3 LYS 133 -12.740 -34.454 25.473 1108 HG2 LYS 133 HG2 LYS 133 -11.958 -34.244 23.359 1109 HG3 LYS 133 HG3 LYS 133 -11.620 -35.970 23.194 1110 HD2 LYS 133 HD2 LYS 133 -13.419 -35.830 21.805 1111 HD3 LYS 133 HD3 LYS 133 -14.270 -36.106 23.326 1112 HE2 LYS 133 HE2 LYS 133 -14.407 -33.597 23.562 1113 HE3 LYS 133 HE3 LYS 133 -13.827 -33.492 21.901 1114 HZ1 LYS 133 HZ1 LYS 133 -16.397 -33.596 22.542 1115 HZ2 LYS 133 HZ2 LYS 133 -16.096 -35.250 22.357 1116 HZ3 LYS 133 HZ3 LYS 133 -15.790 -34.188 21.078 1117 H THR 134 H THR 134 -11.765 -34.699 27.854 1118 HA THR 134 HA THR 134 -9.520 -32.869 27.432 1119 HB THR 134 HB THR 134 -10.663 -31.723 29.484 1120 HG1 THR 134 HG1 THR 134 -12.866 -33.184 28.482 1121 HG21 THR 134 HG21 THR 134 -10.881 -31.295 26.805 1122 HG22 THR 134 HG22 THR 134 -11.573 -30.270 28.062 1123 HG23 THR 134 HG23 THR 134 -12.565 -31.505 27.287 1124 H ASP 135 H ASP 135 -7.755 -34.053 28.098 1125 HA ASP 135 HA ASP 135 -7.695 -34.729 30.964 1126 HB2 ASP 135 HB2 ASP 135 -6.586 -36.253 28.615 1127 HB3 ASP 135 HB3 ASP 135 -5.944 -36.477 30.239 1128 H GLU 136 H GLU 136 -5.807 -34.267 32.088 1129 HA GLU 136 HA GLU 136 -3.783 -32.707 30.623 1130 HB2 GLU 136 HB2 GLU 136 -5.549 -31.575 32.336 1131 HB3 GLU 136 HB3 GLU 136 -4.259 -31.997 33.453 1132 HG2 GLU 136 HG2 GLU 136 -2.868 -30.853 31.412 1133 HG3 GLU 136 HG3 GLU 136 -4.369 -29.926 31.397 1134 H ILE 137 H ILE 137 -3.755 -35.512 31.338 1135 HA ILE 137 HA ILE 137 -2.142 -35.912 33.649 1136 HB ILE 137 HB ILE 137 -1.760 -38.180 32.753 1137 HG12 ILE 137 HG12 ILE 137 -3.497 -38.399 30.611 1138 HG13 ILE 137 HG13 ILE 137 -2.665 -36.880 30.291 1139 HG21 ILE 137 HG21 ILE 137 -4.015 -37.185 33.814 1140 HG22 ILE 137 HG22 ILE 137 -3.809 -38.885 33.392 1141 HG23 ILE 137 HG23 ILE 137 -4.649 -37.799 32.286 1142 HD11 ILE 137 HD11 ILE 137 -0.518 -38.026 30.454 1143 HD12 ILE 137 HD12 ILE 137 -1.547 -38.741 29.213 1144 HD13 ILE 137 HD13 ILE 137 -1.355 -39.546 30.772 Start of MODEL 4 1 H1 GLY -2 H1 GLY -2 -0.823 8.796 -19.920 2 H2 GLY -2 H2 GLY -2 0.825 9.169 -19.946 3 H3 GLY -2 H3 GLY -2 -0.316 10.402 -19.758 4 HA2 GLY -2 HA2 GLY -2 0.793 8.588 -17.799 5 HA3 GLY -2 HA3 GLY -2 0.149 10.209 -17.587 6 H HIS -1 H HIS -1 -1.193 9.874 -15.885 7 HA HIS -1 HA HIS -1 -3.575 8.275 -16.422 8 HB2 HIS -1 HB2 HIS -1 -1.521 7.484 -14.589 9 HB3 HIS -1 HB3 HIS -1 -2.976 7.873 -13.676 10 HD1 HIS -1 HD1 HIS -1 -3.741 5.552 -13.096 11 HD2 HIS -1 HD2 HIS -1 -3.000 6.025 -17.157 12 HE1 HIS -1 HE1 HIS -1 -4.577 3.444 -14.182 13 HE2 HIS -1 HE2 HIS -1 -4.041 3.717 -16.629 14 H MET 0 H MET 0 -5.303 9.487 -16.061 15 HA MET 0 HA MET 0 -5.119 11.633 -14.048 16 HB2 MET 0 HB2 MET 0 -6.588 11.566 -16.685 17 HB3 MET 0 HB3 MET 0 -6.900 12.776 -15.447 18 HG2 MET 0 HG2 MET 0 -4.220 12.977 -15.662 19 HG3 MET 0 HG3 MET 0 -4.642 12.504 -17.307 20 HE1 MET 0 HE1 MET 0 -4.056 16.510 -16.427 21 HE2 MET 0 HE2 MET 0 -3.488 15.457 -17.721 22 HE3 MET 0 HE3 MET 0 -3.264 14.984 -16.037 23 H MET 1 H MET 1 -7.225 9.236 -15.570 24 HA MET 1 HA MET 1 -9.162 9.570 -13.391 25 HB2 MET 1 HB2 MET 1 -10.653 8.172 -14.817 26 HB3 MET 1 HB3 MET 1 -10.162 9.679 -15.576 27 HG2 MET 1 HG2 MET 1 -9.111 8.636 -17.245 28 HG3 MET 1 HG3 MET 1 -8.391 7.438 -16.171 29 HE1 MET 1 HE1 MET 1 -12.036 8.453 -16.560 30 HE2 MET 1 HE2 MET 1 -12.801 7.116 -17.418 31 HE3 MET 1 HE3 MET 1 -11.780 8.259 -18.294 32 H SER 2 H SER 2 -7.725 8.504 -11.876 33 HA SER 2 HA SER 2 -8.359 5.781 -11.520 34 HB2 SER 2 HB2 SER 2 -6.669 5.544 -13.350 35 HB3 SER 2 HB3 SER 2 -5.472 6.273 -12.281 36 HG SER 2 HG SER 2 -6.601 3.742 -12.226 37 H LYS 3 H LYS 3 -8.508 5.639 -9.391 38 HA LYS 3 HA LYS 3 -6.386 6.782 -7.726 39 HB2 LYS 3 HB2 LYS 3 -9.344 7.256 -7.320 40 HB3 LYS 3 HB3 LYS 3 -8.104 7.649 -6.139 41 HG2 LYS 3 HG2 LYS 3 -8.299 8.810 -8.910 42 HG3 LYS 3 HG3 LYS 3 -8.820 9.605 -7.424 43 HD2 LYS 3 HD2 LYS 3 -6.529 9.542 -6.581 44 HD3 LYS 3 HD3 LYS 3 -6.004 8.716 -8.050 45 HE2 LYS 3 HE2 LYS 3 -7.303 11.434 -8.024 46 HE3 LYS 3 HE3 LYS 3 -5.558 11.185 -7.998 47 HZ1 LYS 3 HZ1 LYS 3 -6.952 11.481 -10.232 48 HZ2 LYS 3 HZ2 LYS 3 -7.018 9.796 -10.093 49 HZ3 LYS 3 HZ3 LYS 3 -5.522 10.581 -10.153 50 H LEU 4 H LEU 4 -6.422 4.173 -8.261 51 HA LEU 4 HA LEU 4 -8.018 2.624 -6.477 52 HB2 LEU 4 HB2 LEU 4 -6.466 2.080 -8.673 53 HB3 LEU 4 HB3 LEU 4 -5.494 1.428 -7.368 54 HG LEU 4 HG LEU 4 -8.371 0.691 -7.411 55 HD11 LEU 4 HD11 LEU 4 -6.412 -0.726 -9.191 56 HD12 LEU 4 HD12 LEU 4 -7.488 0.538 -9.788 57 HD13 LEU 4 HD13 LEU 4 -8.161 -0.936 -9.091 58 HD21 LEU 4 HD21 LEU 4 -6.199 -1.275 -7.068 59 HD22 LEU 4 HD22 LEU 4 -7.689 -1.053 -6.150 60 HD23 LEU 4 HD23 LEU 4 -6.301 -0.008 -5.845 61 H PHE 5 H PHE 5 -7.763 3.345 -4.387 62 HA PHE 5 HA PHE 5 -5.527 2.321 -2.952 63 HB2 PHE 5 HB2 PHE 5 -4.492 4.377 -3.827 64 HB3 PHE 5 HB3 PHE 5 -5.786 5.333 -3.112 65 HD1 PHE 5 HD1 PHE 5 -6.082 5.160 -0.559 66 HD2 PHE 5 HD2 PHE 5 -2.564 3.947 -2.623 67 HE1 PHE 5 HE1 PHE 5 -4.800 5.339 1.532 68 HE2 PHE 5 HE2 PHE 5 -1.275 4.122 -0.534 69 HZ PHE 5 HZ PHE 5 -2.392 4.819 1.547 70 H LEU 6 H LEU 6 -7.936 4.940 -2.680 71 HA LEU 6 HA LEU 6 -8.511 4.360 0.050 72 HB2 LEU 6 HB2 LEU 6 -10.028 5.995 -1.984 73 HB3 LEU 6 HB3 LEU 6 -10.402 5.941 -0.273 74 HG LEU 6 HG LEU 6 -7.879 6.698 -0.036 75 HD11 LEU 6 HD11 LEU 6 -8.568 7.222 -2.874 76 HD12 LEU 6 HD12 LEU 6 -7.017 6.822 -2.139 77 HD13 LEU 6 HD13 LEU 6 -7.662 8.457 -2.002 78 HD21 LEU 6 HD21 LEU 6 -8.901 9.129 -0.515 79 HD22 LEU 6 HD22 LEU 6 -9.284 8.184 0.924 80 HD23 LEU 6 HD23 LEU 6 -10.392 8.190 -0.447 81 H ASP 7 H ASP 7 -9.753 3.237 -2.992 82 HA ASP 7 HA ASP 7 -12.276 2.330 -2.244 83 HB2 ASP 7 HB2 ASP 7 -10.343 1.117 -4.230 84 HB3 ASP 7 HB3 ASP 7 -12.057 0.729 -4.123 85 H GLU 8 H GLU 8 -9.132 0.700 -2.044 86 HA GLU 8 HA GLU 8 -10.051 -1.775 -1.112 87 HB2 GLU 8 HB2 GLU 8 -7.421 -0.394 -0.547 88 HB3 GLU 8 HB3 GLU 8 -7.751 -2.100 -0.272 89 HG2 GLU 8 HG2 GLU 8 -8.403 -2.013 -2.833 90 HG3 GLU 8 HG3 GLU 8 -7.306 -0.634 -2.809 91 H LEU 9 H LEU 9 -8.445 0.729 0.861 92 HA LEU 9 HA LEU 9 -9.110 -0.325 3.341 93 HB2 LEU 9 HB2 LEU 9 -8.831 2.066 4.157 94 HB3 LEU 9 HB3 LEU 9 -7.471 1.349 3.316 95 HG LEU 9 HG LEU 9 -8.864 2.603 1.283 96 HD11 LEU 9 HD11 LEU 9 -9.478 4.762 1.978 97 HD12 LEU 9 HD12 LEU 9 -8.757 4.543 3.574 98 HD13 LEU 9 HD13 LEU 9 -10.226 3.669 3.141 99 HD21 LEU 9 HD21 LEU 9 -6.893 3.644 0.958 100 HD22 LEU 9 HD22 LEU 9 -6.335 2.556 2.230 101 HD23 LEU 9 HD23 LEU 9 -6.797 4.211 2.625 102 HA PRO 10 HA PRO 10 -13.368 0.307 4.216 103 HB2 PRO 10 HB2 PRO 10 -13.203 1.845 6.554 104 HB3 PRO 10 HB3 PRO 10 -13.223 0.082 6.465 105 HG2 PRO 10 HG2 PRO 10 -10.909 1.942 6.739 106 HG3 PRO 10 HG3 PRO 10 -11.155 0.338 7.453 107 HD2 PRO 10 HD2 PRO 10 -9.512 0.689 5.373 108 HD3 PRO 10 HD3 PRO 10 -10.531 -0.762 5.502 109 H GLU 11 H GLU 11 -15.031 1.812 4.017 110 HA GLU 11 HA GLU 11 -14.358 4.210 2.633 111 HB2 GLU 11 HB2 GLU 11 -17.062 3.434 3.728 112 HB3 GLU 11 HB3 GLU 11 -16.726 4.551 2.411 113 HG2 GLU 11 HG2 GLU 11 -16.967 2.877 0.992 114 HG3 GLU 11 HG3 GLU 11 -15.528 2.129 1.681 115 H SER 12 H SER 12 -15.235 3.435 5.920 116 HA SER 12 HA SER 12 -16.021 5.947 6.840 117 HB2 SER 12 HB2 SER 12 -15.713 5.109 9.019 118 HB3 SER 12 HB3 SER 12 -16.058 3.673 8.056 119 HG SER 12 HG SER 12 -14.065 3.905 9.601 120 H LEU 13 H LEU 13 -12.777 4.501 6.719 121 HA LEU 13 HA LEU 13 -11.527 6.894 7.723 122 HB2 LEU 13 HB2 LEU 13 -10.802 4.178 7.389 123 HB3 LEU 13 HB3 LEU 13 -9.663 5.127 6.453 124 HG LEU 13 HG LEU 13 -10.259 5.538 9.384 125 HD11 LEU 13 HD11 LEU 13 -8.068 4.579 9.783 126 HD12 LEU 13 HD12 LEU 13 -7.849 4.310 8.054 127 HD13 LEU 13 HD13 LEU 13 -9.095 3.424 8.933 128 HD21 LEU 13 HD21 LEU 13 -9.553 7.609 8.655 129 HD22 LEU 13 HD22 LEU 13 -8.505 6.932 7.406 130 HD23 LEU 13 HD23 LEU 13 -8.026 6.845 9.103 131 H SER 14 H SER 14 -12.050 5.387 4.595 132 HA SER 14 HA SER 14 -10.278 6.798 3.010 133 HB2 SER 14 HB2 SER 14 -11.446 5.058 1.948 134 HB3 SER 14 HB3 SER 14 -13.015 5.669 2.471 135 HG SER 14 HG SER 14 -13.083 6.668 0.636 136 H ARG 15 H ARG 15 -13.212 7.889 4.521 137 HA ARG 15 HA ARG 15 -13.712 10.151 2.916 138 HB2 ARG 15 HB2 ARG 15 -14.899 8.941 5.130 139 HB3 ARG 15 HB3 ARG 15 -14.433 10.536 5.704 140 HG2 ARG 15 HG2 ARG 15 -16.640 10.728 4.896 141 HG3 ARG 15 HG3 ARG 15 -15.600 11.484 3.688 142 HD2 ARG 15 HD2 ARG 15 -16.076 9.934 2.122 143 HD3 ARG 15 HD3 ARG 15 -16.102 8.614 3.291 144 HE ARG 15 HE ARG 15 -18.341 10.164 2.370 145 HH11 ARG 15 HH11 ARG 15 -17.110 8.179 4.963 146 HH12 ARG 15 HH12 ARG 15 -18.681 7.737 5.537 147 HH21 ARG 15 HH21 ARG 15 -20.410 9.584 3.127 148 HH22 ARG 15 HH22 ARG 15 -20.554 8.533 4.497 149 H LYS 16 H LYS 16 -11.827 9.737 5.891 150 HA LYS 16 HA LYS 16 -11.055 12.511 5.963 151 HB2 LYS 16 HB2 LYS 16 -10.366 10.081 7.584 152 HB3 LYS 16 HB3 LYS 16 -9.436 11.562 7.764 153 HG2 LYS 16 HG2 LYS 16 -11.084 12.624 8.865 154 HG3 LYS 16 HG3 LYS 16 -12.358 11.881 7.895 155 HD2 LYS 16 HD2 LYS 16 -11.794 9.722 9.156 156 HD3 LYS 16 HD3 LYS 16 -10.919 10.763 10.282 157 HE2 LYS 16 HE2 LYS 16 -13.041 12.098 10.519 158 HE3 LYS 16 HE3 LYS 16 -13.854 10.826 9.610 159 HZ1 LYS 16 HZ1 LYS 16 -13.065 9.245 11.333 160 HZ2 LYS 16 HZ2 LYS 16 -14.150 10.405 11.920 161 HZ3 LYS 16 HZ3 LYS 16 -12.496 10.559 12.234 162 H ILE 17 H ILE 17 -9.505 9.443 5.106 163 HA ILE 17 HA ILE 17 -6.920 10.416 4.669 164 HB ILE 17 HB ILE 17 -8.280 8.145 3.212 165 HG12 ILE 17 HG12 ILE 17 -6.580 8.064 5.714 166 HG13 ILE 17 HG13 ILE 17 -8.337 7.969 5.706 167 HG21 ILE 17 HG21 ILE 17 -5.894 7.297 3.075 168 HG22 ILE 17 HG22 ILE 17 -5.394 8.924 3.535 169 HG23 ILE 17 HG23 ILE 17 -6.299 8.668 2.045 170 HD11 ILE 17 HD11 ILE 17 -7.027 6.030 3.958 171 HD12 ILE 17 HD12 ILE 17 -8.334 5.815 5.123 172 HD13 ILE 17 HD13 ILE 17 -6.658 5.842 5.673 173 H GLY 18 H GLY 18 -9.634 10.046 2.398 174 HA2 GLY 18 HA2 GLY 18 -8.270 10.963 0.110 175 HA3 GLY 18 HA3 GLY 18 -10.012 10.960 0.327 176 H THR 19 H THR 19 -9.719 12.683 2.760 177 HA THR 19 HA THR 19 -9.850 15.199 1.370 178 HB THR 19 HB THR 19 -10.038 15.860 4.006 179 HG1 THR 19 HG1 THR 19 -11.223 13.305 3.848 180 HG21 THR 19 HG21 THR 19 -12.003 15.087 1.953 181 HG22 THR 19 HG22 THR 19 -11.865 16.568 2.901 182 HG23 THR 19 HG23 THR 19 -12.574 15.124 3.622 183 H VAL 20 H VAL 20 -7.546 13.529 3.383 184 HA VAL 20 HA VAL 20 -5.950 15.866 3.910 185 HB VAL 20 HB VAL 20 -5.124 12.984 4.240 186 HG11 VAL 20 HG11 VAL 20 -3.717 14.027 6.069 187 HG12 VAL 20 HG12 VAL 20 -4.126 15.589 5.361 188 HG13 VAL 20 HG13 VAL 20 -3.240 14.397 4.412 189 HG21 VAL 20 HG21 VAL 20 -7.298 14.112 5.459 190 HG22 VAL 20 HG22 VAL 20 -6.012 14.428 6.624 191 HG23 VAL 20 HG23 VAL 20 -6.346 12.776 6.108 192 H VAL 21 H VAL 21 -6.012 13.321 1.514 193 HA VAL 21 HA VAL 21 -3.435 13.435 0.507 194 HB VAL 21 HB VAL 21 -5.915 13.153 -1.192 195 HG11 VAL 21 HG11 VAL 21 -4.127 11.456 -2.243 196 HG12 VAL 21 HG12 VAL 21 -3.027 12.674 -1.597 197 HG13 VAL 21 HG13 VAL 21 -4.276 13.137 -2.753 198 HG21 VAL 21 HG21 VAL 21 -6.390 11.454 0.208 199 HG22 VAL 21 HG22 VAL 21 -4.747 11.378 0.846 200 HG23 VAL 21 HG23 VAL 21 -5.131 10.614 -0.696 201 H ARG 22 H ARG 22 -6.105 15.660 0.036 202 HA ARG 22 HA ARG 22 -5.179 17.092 -2.164 203 HB2 ARG 22 HB2 ARG 22 -7.070 17.557 0.035 204 HB3 ARG 22 HB3 ARG 22 -6.373 19.029 -0.629 205 HG2 ARG 22 HG2 ARG 22 -7.640 18.911 -2.446 206 HG3 ARG 22 HG3 ARG 22 -7.212 17.222 -2.723 207 HD2 ARG 22 HD2 ARG 22 -8.861 16.826 -0.708 208 HD3 ARG 22 HD3 ARG 22 -9.505 18.386 -1.216 209 HE ARG 22 HE ARG 22 -9.213 16.565 -3.398 210 HH11 ARG 22 HH11 ARG 22 -11.280 17.449 -0.729 211 HH12 ARG 22 HH12 ARG 22 -12.713 16.818 -1.466 212 HH21 ARG 22 HH21 ARG 22 -11.098 15.731 -4.369 213 HH22 ARG 22 HH22 ARG 22 -12.610 15.841 -3.533 214 H VAL 23 H VAL 23 -4.120 17.115 1.146 215 HA VAL 23 HA VAL 23 -2.631 19.570 0.925 216 HB VAL 23 HB VAL 23 -2.372 17.435 3.044 217 HG11 VAL 23 HG11 VAL 23 -1.061 18.854 4.202 218 HG12 VAL 23 HG12 VAL 23 -1.959 20.278 3.677 219 HG13 VAL 23 HG13 VAL 23 -0.753 19.555 2.614 220 HG21 VAL 23 HG21 VAL 23 -4.212 19.822 2.951 221 HG22 VAL 23 HG22 VAL 23 -3.951 18.793 4.358 222 HG23 VAL 23 HG23 VAL 23 -4.689 18.125 2.902 223 H LEU 24 H LEU 24 -2.014 16.152 0.524 224 HA LEU 24 HA LEU 24 0.617 16.785 -0.563 225 HB2 LEU 24 HB2 LEU 24 0.194 15.499 1.983 226 HB3 LEU 24 HB3 LEU 24 1.033 14.422 0.885 227 HG LEU 24 HG LEU 24 1.914 17.181 1.704 228 HD11 LEU 24 HD11 LEU 24 2.278 14.678 2.919 229 HD12 LEU 24 HD12 LEU 24 3.069 16.202 3.317 230 HD13 LEU 24 HD13 LEU 24 3.814 15.097 2.164 231 HD21 LEU 24 HD21 LEU 24 4.009 16.501 0.426 232 HD22 LEU 24 HD22 LEU 24 2.608 17.006 -0.517 233 HD23 LEU 24 HD23 LEU 24 2.990 15.295 -0.352 234 HA PRO 25 HA PRO 25 -1.783 13.602 -2.979 235 HB2 PRO 25 HB2 PRO 25 -1.618 14.868 -5.367 236 HB3 PRO 25 HB3 PRO 25 -2.907 15.197 -4.203 237 HG2 PRO 25 HG2 PRO 25 -0.396 16.738 -4.739 238 HG3 PRO 25 HG3 PRO 25 -2.042 17.339 -4.468 239 HD2 PRO 25 HD2 PRO 25 -0.140 17.331 -2.529 240 HD3 PRO 25 HD3 PRO 25 -1.870 17.146 -2.180 241 H SER 26 H SER 26 1.303 15.017 -2.940 242 HA SER 26 HA SER 26 2.355 13.173 -4.956 243 HB2 SER 26 HB2 SER 26 2.896 15.797 -4.635 244 HB3 SER 26 HB3 SER 26 4.168 15.105 -3.627 245 HG SER 26 HG SER 26 3.844 15.039 -6.366 246 H SER 27 H SER 27 2.564 13.990 -1.524 247 HA SER 27 HA SER 27 4.753 12.271 -0.948 248 HB2 SER 27 HB2 SER 27 4.151 14.050 0.591 249 HB3 SER 27 HB3 SER 27 2.568 13.322 0.860 250 HG SER 27 HG SER 27 4.058 12.804 2.522 251 H LEU 28 H LEU 28 1.248 11.830 -0.869 252 HA LEU 28 HA LEU 28 1.084 9.349 0.340 253 HB2 LEU 28 HB2 LEU 28 -0.689 11.042 -0.834 254 HB3 LEU 28 HB3 LEU 28 -0.680 9.725 -1.992 255 HG LEU 28 HG LEU 28 -1.002 9.009 0.874 256 HD11 LEU 28 HD11 LEU 28 -3.438 9.415 0.719 257 HD12 LEU 28 HD12 LEU 28 -3.163 10.304 -0.780 258 HD13 LEU 28 HD13 LEU 28 -2.484 10.899 0.736 259 HD21 LEU 28 HD21 LEU 28 -1.134 7.107 -0.350 260 HD22 LEU 28 HD22 LEU 28 -1.702 7.945 -1.796 261 HD23 LEU 28 HD23 LEU 28 -2.824 7.598 -0.480 262 H GLU 29 H GLU 29 2.175 10.168 -2.866 263 HA GLU 29 HA GLU 29 1.924 7.676 -4.116 264 HB2 GLU 29 HB2 GLU 29 2.620 10.008 -5.064 265 HB3 GLU 29 HB3 GLU 29 4.250 9.485 -4.670 266 HG2 GLU 29 HG2 GLU 29 4.137 7.669 -6.169 267 HG3 GLU 29 HG3 GLU 29 2.395 7.848 -6.370 268 H ILE 30 H ILE 30 4.243 8.876 -1.812 269 HA ILE 30 HA ILE 30 6.150 6.764 -2.242 270 HB ILE 30 HB ILE 30 5.964 8.614 0.134 271 HG12 ILE 30 HG12 ILE 30 7.618 9.030 -2.360 272 HG13 ILE 30 HG13 ILE 30 6.045 9.783 -2.112 273 HG21 ILE 30 HG21 ILE 30 8.554 7.639 -0.876 274 HG22 ILE 30 HG22 ILE 30 7.507 6.425 -0.142 275 HG23 ILE 30 HG23 ILE 30 7.987 7.852 0.779 276 HD11 ILE 30 HD11 ILE 30 7.252 11.467 -1.277 277 HD12 ILE 30 HD12 ILE 30 8.655 10.444 -0.970 278 HD13 ILE 30 HD13 ILE 30 7.317 10.470 0.177 279 H PHE 31 H PHE 31 3.706 7.537 0.210 280 HA PHE 31 HA PHE 31 4.224 5.330 1.886 281 HB2 PHE 31 HB2 PHE 31 1.596 6.786 1.540 282 HB3 PHE 31 HB3 PHE 31 2.101 5.837 2.935 283 HD1 PHE 31 HD1 PHE 31 4.825 6.756 3.389 284 HD2 PHE 31 HD2 PHE 31 1.354 8.957 2.283 285 HE1 PHE 31 HE1 PHE 31 5.782 8.775 4.416 286 HE2 PHE 31 HE2 PHE 31 2.305 10.981 3.309 287 HZ PHE 31 HZ PHE 31 4.524 10.893 4.376 288 H GLU 32 H GLU 32 1.887 5.804 -0.745 289 HA GLU 32 HA GLU 32 0.556 3.362 -0.525 290 HB2 GLU 32 HB2 GLU 32 -0.179 3.719 -2.810 291 HB3 GLU 32 HB3 GLU 32 -0.218 5.239 -1.928 292 HG2 GLU 32 HG2 GLU 32 1.857 5.929 -2.974 293 HG3 GLU 32 HG3 GLU 32 1.966 4.384 -3.813 294 H GLU 33 H GLU 33 3.492 4.220 -2.294 295 HA GLU 33 HA GLU 33 3.802 1.612 -3.445 296 HB2 GLU 33 HB2 GLU 33 4.683 3.654 -4.526 297 HB3 GLU 33 HB3 GLU 33 5.807 3.862 -3.190 298 HG2 GLU 33 HG2 GLU 33 6.510 1.409 -3.865 299 HG3 GLU 33 HG3 GLU 33 5.844 1.906 -5.420 300 H LEU 34 H LEU 34 4.750 3.164 -0.498 301 HA LEU 34 HA LEU 34 6.911 1.462 0.186 302 HB2 LEU 34 HB2 LEU 34 6.210 3.748 1.181 303 HB3 LEU 34 HB3 LEU 34 5.139 2.806 2.200 304 HG LEU 34 HG LEU 34 8.122 2.378 2.070 305 HD11 LEU 34 HD11 LEU 34 7.694 3.421 4.510 306 HD12 LEU 34 HD12 LEU 34 6.486 4.308 3.580 307 HD13 LEU 34 HD13 LEU 34 8.185 4.375 3.111 308 HD21 LEU 34 HD21 LEU 34 7.342 1.427 4.449 309 HD22 LEU 34 HD22 LEU 34 7.409 0.438 2.990 310 HD23 LEU 34 HD23 LEU 34 5.873 1.126 3.521 311 H TYR 35 H TYR 35 3.480 1.465 1.151 312 HA TYR 35 HA TYR 35 3.665 -0.883 2.717 313 HB2 TYR 35 HB2 TYR 35 1.386 -0.668 3.057 314 HB3 TYR 35 HB3 TYR 35 1.821 0.982 2.630 315 HD1 TYR 35 HD1 TYR 35 0.401 -2.158 1.236 316 HD2 TYR 35 HD2 TYR 35 0.803 2.053 0.821 317 HE1 TYR 35 HE1 TYR 35 -1.273 -2.185 -0.565 318 HE2 TYR 35 HE2 TYR 35 -0.870 2.044 -0.983 319 HH TYR 35 HH TYR 35 -2.985 -0.193 -1.516 320 H LYS 36 H LYS 36 2.766 -0.313 -0.653 321 HA LYS 36 HA LYS 36 1.931 -2.921 -1.268 322 HB2 LYS 36 HB2 LYS 36 2.651 -0.498 -2.747 323 HB3 LYS 36 HB3 LYS 36 3.013 -1.980 -3.622 324 HG2 LYS 36 HG2 LYS 36 0.358 -1.889 -2.367 325 HG3 LYS 36 HG3 LYS 36 0.625 -0.725 -3.667 326 HD2 LYS 36 HD2 LYS 36 1.289 -3.643 -3.960 327 HD3 LYS 36 HD3 LYS 36 -0.312 -2.998 -4.329 328 HE2 LYS 36 HE2 LYS 36 2.233 -1.952 -5.554 329 HE3 LYS 36 HE3 LYS 36 1.242 -3.210 -6.293 330 HZ1 LYS 36 HZ1 LYS 36 0.660 -0.355 -5.937 331 HZ2 LYS 36 HZ2 LYS 36 -0.630 -1.450 -5.964 332 HZ3 LYS 36 HZ3 LYS 36 0.415 -1.342 -7.288 333 H TYR 37 H TYR 37 5.113 -1.432 -1.207 334 HA TYR 37 HA TYR 37 6.506 -3.532 -2.495 335 HB2 TYR 37 HB2 TYR 37 7.547 -1.376 -2.353 336 HB3 TYR 37 HB3 TYR 37 7.414 -1.361 -0.597 337 HD1 TYR 37 HD1 TYR 37 8.798 -3.024 0.725 338 HD2 TYR 37 HD2 TYR 37 9.448 -2.272 -3.411 339 HE1 TYR 37 HE1 TYR 37 11.051 -3.989 0.911 340 HE2 TYR 37 HE2 TYR 37 11.703 -3.236 -3.237 341 HH TYR 37 HH TYR 37 13.324 -3.642 -0.506 342 H ALA 38 H ALA 38 6.070 -2.738 0.948 343 HA ALA 38 HA ALA 38 7.508 -4.918 1.973 344 HB1 ALA 38 HB1 ALA 38 5.231 -4.001 3.587 345 HB2 ALA 38 HB2 ALA 38 6.336 -2.733 3.060 346 HB3 ALA 38 HB3 ALA 38 6.945 -4.103 3.990 347 H LEU 39 H LEU 39 4.331 -4.718 0.621 348 HA LEU 39 HA LEU 39 3.316 -7.101 1.847 349 HB2 LEU 39 HB2 LEU 39 2.398 -5.387 -0.446 350 HB3 LEU 39 HB3 LEU 39 1.577 -6.878 -0.026 351 HG LEU 39 HG LEU 39 1.955 -4.573 1.885 352 HD11 LEU 39 HD11 LEU 39 -0.357 -4.012 1.471 353 HD12 LEU 39 HD12 LEU 39 -0.497 -5.325 0.302 354 HD13 LEU 39 HD13 LEU 39 0.550 -3.948 -0.040 355 HD21 LEU 39 HD21 LEU 39 0.912 -5.808 3.442 356 HD22 LEU 39 HD22 LEU 39 1.424 -7.179 2.455 357 HD23 LEU 39 HD23 LEU 39 -0.202 -6.520 2.276 358 H ASN 40 H ASN 40 5.108 -6.341 -1.045 359 HA ASN 40 HA ASN 40 4.618 -8.816 -2.378 360 HB2 ASN 40 HB2 ASN 40 5.478 -6.523 -3.320 361 HB3 ASN 40 HB3 ASN 40 7.062 -7.165 -2.901 362 HD21 ASN 40 HD21 ASN 40 5.509 -6.614 -5.476 363 HD22 ASN 40 HD22 ASN 40 5.741 -8.054 -6.401 364 H GLU 41 H GLU 41 7.087 -7.631 -0.179 365 HA GLU 41 HA GLU 41 8.910 -9.762 -0.490 366 HB2 GLU 41 HB2 GLU 41 9.938 -8.976 1.549 367 HB3 GLU 41 HB3 GLU 41 9.468 -7.592 0.573 368 HG2 GLU 41 HG2 GLU 41 8.150 -6.797 2.171 369 HG3 GLU 41 HG3 GLU 41 7.374 -8.361 2.413 370 H ASN 42 H ASN 42 5.945 -9.457 1.286 371 HA ASN 42 HA ASN 42 6.274 -11.423 3.231 372 HB2 ASN 42 HB2 ASN 42 4.245 -9.759 2.518 373 HB3 ASN 42 HB3 ASN 42 3.608 -11.304 1.965 374 HD21 ASN 42 HD21 ASN 42 4.743 -9.498 4.730 375 HD22 ASN 42 HD22 ASN 42 4.003 -10.497 5.930 376 H SER 43 H SER 43 5.634 -11.699 -0.189 377 HA SER 43 HA SER 43 4.801 -14.413 -0.177 378 HB2 SER 43 HB2 SER 43 6.134 -12.975 -2.477 379 HB3 SER 43 HB3 SER 43 4.999 -14.324 -2.556 380 HG SER 43 HG SER 43 4.416 -11.791 -2.684 381 H ASN 44 H ASN 44 6.154 -16.022 -1.603 382 HA ASN 44 HA ASN 44 8.702 -16.321 -0.228 383 HB2 ASN 44 HB2 ASN 44 8.688 -18.595 -1.288 384 HB3 ASN 44 HB3 ASN 44 7.305 -18.278 -0.245 385 HD21 ASN 44 HD21 ASN 44 7.307 -20.276 -2.155 386 HD22 ASN 44 HD22 ASN 44 6.168 -19.874 -3.392 387 H ASP 45 H ASP 45 10.683 -16.622 -1.280 388 HA ASP 45 HA ASP 45 10.764 -15.987 -4.142 389 HB2 ASP 45 HB2 ASP 45 11.293 -14.046 -2.372 390 HB3 ASP 45 HB3 ASP 45 12.887 -14.794 -2.439 391 H ARG 46 H ARG 46 11.807 -17.555 -5.157 392 HA ARG 46 HA ARG 46 14.314 -18.567 -4.110 393 HB2 ARG 46 HB2 ARG 46 11.819 -20.197 -4.260 394 HB3 ARG 46 HB3 ARG 46 13.346 -20.969 -4.661 395 HG2 ARG 46 HG2 ARG 46 13.835 -21.218 -2.519 396 HG3 ARG 46 HG3 ARG 46 13.647 -19.488 -2.234 397 HD2 ARG 46 HD2 ARG 46 11.874 -19.988 -0.985 398 HD3 ARG 46 HD3 ARG 46 11.046 -20.439 -2.476 399 HE ARG 46 HE ARG 46 12.656 -22.545 -1.364 400 HH11 ARG 46 HH11 ARG 46 9.528 -20.998 -1.301 401 HH12 ARG 46 HH12 ARG 46 8.709 -22.400 -0.698 402 HH21 ARG 46 HH21 ARG 46 11.580 -24.389 -0.572 403 HH22 ARG 46 HH22 ARG 46 9.873 -24.325 -0.284 404 H SER 47 H SER 47 14.971 -20.511 -5.738 405 HA SER 47 HA SER 47 15.818 -20.910 -7.814 406 HB2 SER 47 HB2 SER 47 14.208 -21.080 -9.604 407 HB3 SER 47 HB3 SER 47 13.426 -21.595 -8.109 408 HG SER 47 HG SER 47 13.192 -19.052 -9.349 409 H GLU 48 H GLU 48 17.270 -19.067 -7.514 410 HA GLU 48 HA GLU 48 16.645 -16.858 -9.362 411 HB2 GLU 48 HB2 GLU 48 17.471 -16.792 -6.634 412 HB3 GLU 48 HB3 GLU 48 18.779 -16.137 -7.611 413 HG2 GLU 48 HG2 GLU 48 17.604 -14.306 -8.208 414 HG3 GLU 48 HG3 GLU 48 16.065 -15.166 -8.238 415 H HIS 49 H HIS 49 19.170 -19.006 -8.137 416 HA HIS 49 HA HIS 49 20.459 -18.980 -10.727 417 HB2 HIS 49 HB2 HIS 49 22.664 -18.352 -9.871 418 HB3 HIS 49 HB3 HIS 49 21.503 -17.053 -9.608 419 HD1 HIS 49 HD1 HIS 49 20.409 -17.143 -7.050 420 HD2 HIS 49 HD2 HIS 49 24.109 -18.929 -7.664 421 HE1 HIS 49 HE1 HIS 49 21.445 -17.344 -4.767 422 HE2 HIS 49 HE2 HIS 49 23.719 -18.348 -5.174 423 H HIS 50 H HIS 50 22.717 -20.305 -10.307 424 HA HIS 50 HA HIS 50 21.849 -22.927 -9.671 425 HB2 HIS 50 HB2 HIS 50 23.873 -21.931 -11.166 426 HB3 HIS 50 HB3 HIS 50 24.761 -22.402 -9.722 427 HD1 HIS 50 HD1 HIS 50 21.831 -24.332 -11.104 428 HD2 HIS 50 HD2 HIS 50 25.960 -24.644 -10.783 429 HE1 HIS 50 HE1 HIS 50 22.387 -26.671 -11.839 430 HE2 HIS 50 HE2 HIS 50 24.899 -26.809 -11.719 431 H LYS 51 H LYS 51 23.789 -24.175 -8.280 432 HA LYS 51 HA LYS 51 23.402 -23.094 -5.586 433 HB2 LYS 51 HB2 LYS 51 24.137 -25.400 -4.872 434 HB3 LYS 51 HB3 LYS 51 22.629 -25.334 -5.773 435 HG2 LYS 51 HG2 LYS 51 23.452 -26.516 -7.494 436 HG3 LYS 51 HG3 LYS 51 25.033 -25.741 -7.406 437 HD2 LYS 51 HD2 LYS 51 25.880 -27.456 -6.265 438 HD3 LYS 51 HD3 LYS 51 24.577 -27.375 -5.078 439 HE2 LYS 51 HE2 LYS 51 23.296 -28.485 -7.201 440 HE3 LYS 51 HE3 LYS 51 24.919 -29.143 -7.400 441 HZ1 LYS 51 HZ1 LYS 51 24.055 -30.683 -6.000 442 HZ2 LYS 51 HZ2 LYS 51 22.973 -29.606 -5.269 443 HZ3 LYS 51 HZ3 LYS 51 24.608 -29.589 -4.835 444 H LYS 52 H LYS 52 25.003 -21.926 -4.776 445 HA LYS 52 HA LYS 52 27.764 -22.818 -5.229 446 HB2 LYS 52 HB2 LYS 52 26.558 -20.317 -6.068 447 HB3 LYS 52 HB3 LYS 52 27.919 -20.039 -4.987 448 HG2 LYS 52 HG2 LYS 52 28.843 -21.970 -6.742 449 HG3 LYS 52 HG3 LYS 52 27.890 -20.883 -7.755 450 HD2 LYS 52 HD2 LYS 52 29.282 -19.106 -7.390 451 HD3 LYS 52 HD3 LYS 52 29.763 -19.672 -5.791 452 HE2 LYS 52 HE2 LYS 52 30.681 -20.735 -8.458 453 HE3 LYS 52 HE3 LYS 52 31.644 -19.849 -7.275 454 HZ1 LYS 52 HZ1 LYS 52 30.849 -22.644 -7.302 455 HZ2 LYS 52 HZ2 LYS 52 30.815 -21.885 -5.790 456 HZ3 LYS 52 HZ3 LYS 52 32.249 -21.922 -6.686 457 HA PRO 53 HA PRO 53 27.499 -22.822 -0.720 458 HB2 PRO 53 HB2 PRO 53 30.445 -23.068 -1.121 459 HB3 PRO 53 HB3 PRO 53 29.368 -24.012 -0.084 460 HG2 PRO 53 HG2 PRO 53 30.277 -25.027 -2.370 461 HG3 PRO 53 HG3 PRO 53 28.610 -25.323 -1.843 462 HD2 PRO 53 HD2 PRO 53 29.633 -23.483 -3.957 463 HD3 PRO 53 HD3 PRO 53 28.131 -24.428 -3.910 464 H ARG 54 H ARG 54 27.855 -21.294 0.837 465 HA ARG 54 HA ARG 54 28.976 -18.760 -0.075 466 HB2 ARG 54 HB2 ARG 54 27.146 -19.585 2.142 467 HB3 ARG 54 HB3 ARG 54 28.039 -18.077 2.292 468 HG2 ARG 54 HG2 ARG 54 27.024 -17.839 -0.213 469 HG3 ARG 54 HG3 ARG 54 25.751 -18.757 0.592 470 HD2 ARG 54 HD2 ARG 54 25.439 -17.082 2.224 471 HD3 ARG 54 HD3 ARG 54 26.942 -16.270 1.788 472 HE ARG 54 HE ARG 54 25.422 -16.175 -0.480 473 HH11 ARG 54 HH11 ARG 54 24.982 -15.147 2.825 474 HH12 ARG 54 HH12 ARG 54 23.947 -13.822 2.408 475 HH21 ARG 54 HH21 ARG 54 24.063 -14.432 -1.033 476 HH22 ARG 54 HH22 ARG 54 23.425 -13.416 0.217 477 H ILE 55 H ILE 55 31.132 -19.975 0.033 478 HA ILE 55 HA ILE 55 32.470 -19.126 2.449 479 HB ILE 55 HB ILE 55 31.749 -21.396 3.059 480 HG12 ILE 55 HG12 ILE 55 34.024 -22.309 3.595 481 HG13 ILE 55 HG13 ILE 55 34.714 -21.053 2.572 482 HG21 ILE 55 HG21 ILE 55 32.085 -22.047 0.468 483 HG22 ILE 55 HG22 ILE 55 32.008 -23.229 1.775 484 HG23 ILE 55 HG23 ILE 55 33.572 -22.704 1.153 485 HD11 ILE 55 HD11 ILE 55 33.903 -20.921 5.309 486 HD12 ILE 55 HD12 ILE 55 33.001 -19.742 4.357 487 HD13 ILE 55 HD13 ILE 55 34.764 -19.727 4.337 488 H ASP 56 H ASP 56 34.175 -18.051 1.720 489 HA ASP 56 HA ASP 56 35.327 -18.720 -0.869 490 HB2 ASP 56 HB2 ASP 56 36.670 -16.622 -0.475 491 HB3 ASP 56 HB3 ASP 56 34.926 -16.387 -0.536 492 H ASP 57 H ASP 57 36.144 -18.794 2.535 493 HA ASP 57 HA ASP 57 38.912 -19.460 2.052 494 HB2 ASP 57 HB2 ASP 57 37.237 -18.825 4.378 495 HB3 ASP 57 HB3 ASP 57 38.446 -20.066 4.693 496 H SER 58 H SER 58 39.886 -21.445 2.326 497 HA SER 58 HA SER 58 38.227 -23.733 1.825 498 HB2 SER 58 HB2 SER 58 40.791 -23.100 1.161 499 HB3 SER 58 HB3 SER 58 41.061 -24.191 2.519 500 HG SER 58 HG SER 58 40.932 -25.467 0.733 501 H SER 59 H SER 59 39.479 -25.782 3.169 502 HA SER 59 HA SER 59 39.567 -26.918 5.141 503 HB2 SER 59 HB2 SER 59 40.426 -24.310 5.837 504 HB3 SER 59 HB3 SER 59 39.299 -24.827 7.091 505 HG SER 59 HG SER 59 41.692 -26.070 6.249 506 H ASP 60 H ASP 60 37.478 -24.083 5.753 507 HA ASP 60 HA ASP 60 35.242 -23.934 6.187 508 HB2 ASP 60 HB2 ASP 60 34.985 -26.925 5.910 509 HB3 ASP 60 HB3 ASP 60 33.747 -25.695 5.671 510 H LEU 61 H LEU 61 36.200 -27.106 7.514 511 HA LEU 61 HA LEU 61 36.308 -27.890 9.648 512 HB2 LEU 61 HB2 LEU 61 36.051 -25.039 10.589 513 HB3 LEU 61 HB3 LEU 61 36.739 -26.397 11.461 514 HG LEU 61 HG LEU 61 38.040 -25.671 8.897 515 HD11 LEU 61 HD11 LEU 61 37.810 -23.842 11.208 516 HD12 LEU 61 HD12 LEU 61 38.071 -23.489 9.499 517 HD13 LEU 61 HD13 LEU 61 39.415 -24.039 10.503 518 HD21 LEU 61 HD21 LEU 61 38.675 -27.523 10.570 519 HD22 LEU 61 HD22 LEU 61 39.321 -26.207 11.550 520 HD23 LEU 61 HD23 LEU 61 39.955 -26.492 9.929 521 H LEU 62 H LEU 62 34.172 -25.046 9.947 522 HA LEU 62 HA LEU 62 32.295 -26.385 11.582 523 HB2 LEU 62 HB2 LEU 62 32.536 -23.766 10.282 524 HB3 LEU 62 HB3 LEU 62 30.882 -24.316 10.464 525 HG LEU 62 HG LEU 62 32.197 -24.760 12.943 526 HD11 LEU 62 HD11 LEU 62 33.854 -23.198 12.695 527 HD12 LEU 62 HD12 LEU 62 32.558 -22.193 13.341 528 HD13 LEU 62 HD13 LEU 62 32.896 -22.190 11.610 529 HD21 LEU 62 HD21 LEU 62 29.872 -24.399 12.868 530 HD22 LEU 62 HD22 LEU 62 30.055 -22.888 11.976 531 HD23 LEU 62 HD23 LEU 62 30.545 -22.977 13.667 532 H LYS 63 H LYS 63 30.116 -26.979 11.085 533 HA LYS 63 HA LYS 63 29.857 -28.057 8.371 534 HB2 LYS 63 HB2 LYS 63 28.860 -28.858 11.046 535 HB3 LYS 63 HB3 LYS 63 27.790 -29.171 9.687 536 HG2 LYS 63 HG2 LYS 63 30.535 -29.992 9.180 537 HG3 LYS 63 HG3 LYS 63 29.809 -30.807 10.566 538 HD2 LYS 63 HD2 LYS 63 27.777 -31.006 8.834 539 HD3 LYS 63 HD3 LYS 63 29.121 -30.960 7.691 540 HE2 LYS 63 HE2 LYS 63 29.543 -32.739 9.981 541 HE3 LYS 63 HE3 LYS 63 28.193 -33.201 8.946 542 HZ1 LYS 63 HZ1 LYS 63 30.752 -33.857 8.489 543 HZ2 LYS 63 HZ2 LYS 63 30.603 -32.473 7.527 544 HZ3 LYS 63 HZ3 LYS 63 29.562 -33.783 7.291 545 H THR 64 H THR 64 27.300 -28.321 7.890 546 HA THR 64 HA THR 64 25.831 -25.904 8.524 547 HB THR 64 HB THR 64 27.219 -25.202 6.623 548 HG1 THR 64 HG1 THR 64 25.480 -24.114 6.232 549 HG21 THR 64 HG21 THR 64 27.201 -26.178 4.518 550 HG22 THR 64 HG22 THR 64 25.783 -27.162 4.881 551 HG23 THR 64 HG23 THR 64 27.338 -27.552 5.617 552 H ASP 65 H ASP 65 23.705 -26.299 8.621 553 HA ASP 65 HA ASP 65 22.694 -28.743 7.322 554 HB2 ASP 65 HB2 ASP 65 22.939 -28.638 9.942 555 HB3 ASP 65 HB3 ASP 65 21.452 -27.702 9.839 556 H GLU 66 H GLU 66 21.860 -25.522 8.543 557 HA GLU 66 HA GLU 66 19.545 -25.498 6.727 558 HB2 GLU 66 HB2 GLU 66 20.032 -24.388 9.412 559 HB3 GLU 66 HB3 GLU 66 19.206 -23.299 8.306 560 HG2 GLU 66 HG2 GLU 66 18.113 -25.992 8.258 561 HG3 GLU 66 HG3 GLU 66 18.036 -25.243 9.852 562 H ILE 67 H ILE 67 19.082 -23.493 5.598 563 HA ILE 67 HA ILE 67 21.341 -22.468 4.253 564 HB ILE 67 HB ILE 67 19.694 -20.758 3.347 565 HG12 ILE 67 HG12 ILE 67 17.466 -22.419 4.370 566 HG13 ILE 67 HG13 ILE 67 18.220 -21.340 5.541 567 HG21 ILE 67 HG21 ILE 67 18.502 -22.438 1.991 568 HG22 ILE 67 HG22 ILE 67 19.056 -23.694 3.097 569 HG23 ILE 67 HG23 ILE 67 20.226 -22.782 2.140 570 HD11 ILE 67 HD11 ILE 67 17.092 -19.628 4.725 571 HD12 ILE 67 HD12 ILE 67 16.274 -20.727 3.614 572 HD13 ILE 67 HD13 ILE 67 17.758 -19.913 3.117 573 H1 GLY 68 H1 GLY 68 6.297 9.316 30.878 574 H2 GLY 68 H2 GLY 68 4.887 8.838 30.075 575 H3 GLY 68 H3 GLY 68 4.811 9.349 31.685 576 HA2 GLY 68 HA2 GLY 68 4.019 11.037 30.076 577 HA3 GLY 68 HA3 GLY 68 5.324 11.578 31.120 578 H HIS 69 H HIS 69 4.540 10.414 27.890 579 HA HIS 69 HA HIS 69 5.512 10.764 25.863 580 HB2 HIS 69 HB2 HIS 69 5.500 13.184 27.044 581 HB3 HIS 69 HB3 HIS 69 7.236 12.972 26.843 582 HD1 HIS 69 HD1 HIS 69 7.189 14.938 25.105 583 HD2 HIS 69 HD2 HIS 69 5.032 11.564 23.994 584 HE1 HIS 69 HE1 HIS 69 6.729 15.213 22.648 585 HE2 HIS 69 HE2 HIS 69 5.501 13.117 21.979 586 H MET 70 H MET 70 6.637 8.740 26.160 587 HA MET 70 HA MET 70 9.482 9.056 25.857 588 HB2 MET 70 HB2 MET 70 8.297 7.942 28.347 589 HB3 MET 70 HB3 MET 70 9.696 7.108 27.683 590 HG2 MET 70 HG2 MET 70 10.901 9.293 27.685 591 HG3 MET 70 HG3 MET 70 9.526 9.983 28.547 592 HE1 MET 70 HE1 MET 70 9.842 10.611 30.520 593 HE2 MET 70 HE2 MET 70 10.839 9.954 31.818 594 HE3 MET 70 HE3 MET 70 9.222 9.308 31.535 595 H MET 71 H MET 71 7.232 8.104 24.290 596 HA MET 71 HA MET 71 8.404 5.683 23.315 597 HB2 MET 71 HB2 MET 71 6.656 5.234 25.334 598 HB3 MET 71 HB3 MET 71 5.555 5.225 23.965 599 HG2 MET 71 HG2 MET 71 8.018 3.637 23.656 600 HG3 MET 71 HG3 MET 71 6.861 3.058 24.853 601 HE1 MET 71 HE1 MET 71 8.049 1.900 22.038 602 HE2 MET 71 HE2 MET 71 6.682 1.159 21.204 603 HE3 MET 71 HE3 MET 71 6.991 0.781 22.899 604 H SER 72 H SER 72 8.513 6.488 21.291 605 HA SER 72 HA SER 72 6.217 6.474 19.657 606 HB2 SER 72 HB2 SER 72 6.507 8.997 19.010 607 HB3 SER 72 HB3 SER 72 5.526 8.564 20.409 608 HG SER 72 HG SER 72 7.721 10.083 20.316 609 H LYS 73 H LYS 73 6.748 7.346 17.408 610 HA LYS 73 HA LYS 73 8.057 7.246 15.550 611 HB2 LYS 73 HB2 LYS 73 9.831 8.430 17.611 612 HB3 LYS 73 HB3 LYS 73 10.617 7.809 16.166 613 HG2 LYS 73 HG2 LYS 73 10.210 9.830 15.316 614 HG3 LYS 73 HG3 LYS 73 8.560 9.242 15.100 615 HD2 LYS 73 HD2 LYS 73 8.166 10.086 17.497 616 HD3 LYS 73 HD3 LYS 73 9.671 10.983 17.280 617 HE2 LYS 73 HE2 LYS 73 7.639 11.199 15.135 618 HE3 LYS 73 HE3 LYS 73 7.279 11.997 16.666 619 HZ1 LYS 73 HZ1 LYS 73 8.625 13.187 14.756 620 HZ2 LYS 73 HZ2 LYS 73 9.932 12.420 15.513 621 HZ3 LYS 73 HZ3 LYS 73 8.951 13.485 16.390 622 H LEU 74 H LEU 74 7.750 4.989 15.350 623 HA LEU 74 HA LEU 74 10.220 3.474 15.683 624 HB2 LEU 74 HB2 LEU 74 7.609 2.828 16.980 625 HB3 LEU 74 HB3 LEU 74 8.627 1.512 16.427 626 HG LEU 74 HG LEU 74 9.634 3.652 18.291 627 HD11 LEU 74 HD11 LEU 74 8.866 2.567 20.119 628 HD12 LEU 74 HD12 LEU 74 8.934 0.984 19.347 629 HD13 LEU 74 HD13 LEU 74 7.594 2.076 19.001 630 HD21 LEU 74 HD21 LEU 74 10.682 1.142 17.135 631 HD22 LEU 74 HD22 LEU 74 11.054 1.449 18.831 632 HD23 LEU 74 HD23 LEU 74 11.525 2.620 17.599 633 H PHE 75 H PHE 75 8.702 4.618 13.437 634 HA PHE 75 HA PHE 75 8.398 2.140 11.892 635 HB2 PHE 75 HB2 PHE 75 6.460 3.041 10.723 636 HB3 PHE 75 HB3 PHE 75 6.146 2.985 12.453 637 HD1 PHE 75 HD1 PHE 75 5.981 5.025 13.756 638 HD2 PHE 75 HD2 PHE 75 6.678 5.139 9.559 639 HE1 PHE 75 HE1 PHE 75 5.390 7.413 13.727 640 HE2 PHE 75 HE2 PHE 75 6.090 7.527 9.523 641 HZ PHE 75 HZ PHE 75 5.445 8.667 11.608 642 H LEU 76 H LEU 76 10.525 4.216 12.203 643 HA LEU 76 HA LEU 76 10.795 4.851 9.347 644 HB2 LEU 76 HB2 LEU 76 11.166 6.686 11.691 645 HB3 LEU 76 HB3 LEU 76 12.043 6.957 10.196 646 HG LEU 76 HG LEU 76 9.035 6.789 10.355 647 HD11 LEU 76 HD11 LEU 76 10.443 8.754 11.526 648 HD12 LEU 76 HD12 LEU 76 8.876 9.002 10.756 649 HD13 LEU 76 HD13 LEU 76 10.359 9.379 9.879 650 HD21 LEU 76 HD21 LEU 76 9.506 6.410 8.150 651 HD22 LEU 76 HD22 LEU 76 11.022 7.311 8.204 652 HD23 LEU 76 HD23 LEU 76 9.486 8.174 8.159 653 H ASP 77 H ASP 77 11.946 2.925 11.553 654 HA ASP 77 HA ASP 77 14.764 3.350 10.807 655 HB2 ASP 77 HB2 ASP 77 13.514 2.649 13.411 656 HB3 ASP 77 HB3 ASP 77 15.032 1.851 13.013 657 H GLU 78 H GLU 78 12.251 0.963 11.510 658 HA GLU 78 HA GLU 78 13.806 -1.299 10.773 659 HB2 GLU 78 HB2 GLU 78 10.798 -0.996 10.858 660 HB3 GLU 78 HB3 GLU 78 11.678 -2.516 10.803 661 HG2 GLU 78 HG2 GLU 78 12.804 -1.501 12.979 662 HG3 GLU 78 HG3 GLU 78 11.271 -0.633 13.051 663 H LEU 79 H LEU 79 11.044 0.231 9.103 664 HA LEU 79 HA LEU 79 11.170 -1.140 6.722 665 HB2 LEU 79 HB2 LEU 79 10.278 1.065 5.715 666 HB3 LEU 79 HB3 LEU 79 9.326 0.245 6.936 667 HG LEU 79 HG LEU 79 10.026 1.819 8.627 668 HD11 LEU 79 HD11 LEU 79 11.934 2.708 6.510 669 HD12 LEU 79 HD12 LEU 79 12.222 2.387 8.220 670 HD13 LEU 79 HD13 LEU 79 11.377 3.855 7.727 671 HD21 LEU 79 HD21 LEU 79 9.196 3.960 7.538 672 HD22 LEU 79 HD22 LEU 79 8.123 2.563 7.466 673 HD23 LEU 79 HD23 LEU 79 9.064 3.024 6.049 674 HA PRO 80 HA PRO 80 14.663 -0.168 4.221 675 HB2 PRO 80 HB2 PRO 80 12.835 1.429 2.469 676 HB3 PRO 80 HB3 PRO 80 14.051 0.228 2.020 677 HG2 PRO 80 HG2 PRO 80 11.467 -0.409 2.042 678 HG3 PRO 80 HG3 PRO 80 12.692 -1.560 2.603 679 HD2 PRO 80 HD2 PRO 80 10.742 0.038 4.170 680 HD3 PRO 80 HD3 PRO 80 11.458 -1.544 4.534 681 H GLU 81 H GLU 81 15.670 1.192 5.748 682 HA GLU 81 HA GLU 81 15.086 3.849 6.275 683 HB2 GLU 81 HB2 GLU 81 16.685 2.472 7.563 684 HB3 GLU 81 HB3 GLU 81 17.823 2.566 6.224 685 HG2 GLU 81 HG2 GLU 81 16.972 5.199 6.987 686 HG3 GLU 81 HG3 GLU 81 17.570 4.317 8.391 687 H SER 82 H SER 82 16.561 2.446 3.481 688 HA SER 82 HA SER 82 18.027 4.596 2.484 689 HB2 SER 82 HB2 SER 82 16.661 2.240 1.255 690 HB3 SER 82 HB3 SER 82 17.239 3.522 0.190 691 HG SER 82 HG SER 82 19.030 2.395 0.362 692 H LEU 83 H LEU 83 14.583 3.852 2.190 693 HA LEU 83 HA LEU 83 14.057 6.146 0.530 694 HB2 LEU 83 HB2 LEU 83 12.359 4.047 1.833 695 HB3 LEU 83 HB3 LEU 83 11.621 5.478 1.139 696 HG LEU 83 HG LEU 83 13.239 4.616 -0.907 697 HD11 LEU 83 HD11 LEU 83 11.897 2.098 -0.180 698 HD12 LEU 83 HD12 LEU 83 13.340 2.498 0.750 699 HD13 LEU 83 HD13 LEU 83 13.430 2.375 -1.007 700 HD21 LEU 83 HD21 LEU 83 11.171 5.231 -1.600 701 HD22 LEU 83 HD22 LEU 83 10.361 4.454 -0.240 702 HD23 LEU 83 HD23 LEU 83 10.922 3.485 -1.603 703 H SER 84 H SER 84 13.935 5.360 3.929 704 HA SER 84 HA SER 84 12.267 7.282 4.956 705 HB2 SER 84 HB2 SER 84 14.577 5.760 5.952 706 HB3 SER 84 HB3 SER 84 14.292 7.277 6.805 707 HG SER 84 HG SER 84 12.705 6.319 7.769 708 H ARG 85 H ARG 85 15.427 7.705 3.563 709 HA ARG 85 HA ARG 85 16.094 10.207 4.629 710 HB2 ARG 85 HB2 ARG 85 17.151 8.443 2.704 711 HB3 ARG 85 HB3 ARG 85 16.956 9.987 1.887 712 HG2 ARG 85 HG2 ARG 85 18.992 10.394 2.730 713 HG3 ARG 85 HG3 ARG 85 18.090 10.805 4.191 714 HD2 ARG 85 HD2 ARG 85 19.090 8.026 3.624 715 HD3 ARG 85 HD3 ARG 85 20.060 9.229 4.472 716 HE ARG 85 HE ARG 85 17.451 8.858 5.608 717 HH11 ARG 85 HH11 ARG 85 20.733 7.673 5.557 718 HH12 ARG 85 HH12 ARG 85 20.635 6.968 7.134 719 HH21 ARG 85 HH21 ARG 85 17.320 7.933 7.685 720 HH22 ARG 85 HH22 ARG 85 18.698 7.115 8.344 721 H LYS 86 H LYS 86 14.269 9.357 1.708 722 HA LYS 86 HA LYS 86 13.778 12.116 1.041 723 HB2 LYS 86 HB2 LYS 86 12.690 9.530 -0.081 724 HB3 LYS 86 HB3 LYS 86 12.269 11.119 -0.708 725 HG2 LYS 86 HG2 LYS 86 14.095 11.161 -1.956 726 HG3 LYS 86 HG3 LYS 86 15.116 10.886 -0.543 727 HD2 LYS 86 HD2 LYS 86 15.628 9.041 -1.818 728 HD3 LYS 86 HD3 LYS 86 14.314 8.407 -0.826 729 HE2 LYS 86 HE2 LYS 86 12.730 8.836 -2.628 730 HE3 LYS 86 HE3 LYS 86 14.024 9.511 -3.618 731 HZ1 LYS 86 HZ1 LYS 86 13.856 6.706 -2.659 732 HZ2 LYS 86 HZ2 LYS 86 15.119 7.349 -3.583 733 HZ3 LYS 86 HZ3 LYS 86 13.564 7.233 -4.239 734 H ILE 87 H ILE 87 12.122 9.570 2.763 735 HA ILE 87 HA ILE 87 9.536 10.729 2.748 736 HB ILE 87 HB ILE 87 10.708 8.890 4.840 737 HG12 ILE 87 HG12 ILE 87 9.047 8.058 2.466 738 HG13 ILE 87 HG13 ILE 87 10.803 8.126 2.384 739 HG21 ILE 87 HG21 ILE 87 8.141 8.228 4.781 740 HG22 ILE 87 HG22 ILE 87 7.983 9.904 4.256 741 HG23 ILE 87 HG23 ILE 87 8.747 9.533 5.800 742 HD11 ILE 87 HD11 ILE 87 10.265 6.683 4.694 743 HD12 ILE 87 HD12 ILE 87 10.812 6.048 3.142 744 HD13 ILE 87 HD13 ILE 87 9.088 6.109 3.511 745 H GLY 88 H GLY 88 12.236 10.882 5.045 746 HA2 GLY 88 HA2 GLY 88 11.052 12.292 7.105 747 HA3 GLY 88 HA3 GLY 88 12.746 12.427 6.664 748 H THR 89 H THR 89 12.558 13.624 4.172 749 HA THR 89 HA THR 89 12.220 16.329 4.888 750 HB THR 89 HB THR 89 13.769 15.547 3.122 751 HG1 THR 89 HG1 THR 89 13.289 17.686 3.013 752 HG21 THR 89 HG21 THR 89 11.264 14.714 1.808 753 HG22 THR 89 HG22 THR 89 12.883 14.025 1.719 754 HG23 THR 89 HG23 THR 89 12.488 15.472 0.792 755 H VAL 90 H VAL 90 10.092 13.996 3.402 756 HA VAL 90 HA VAL 90 8.144 15.951 2.572 757 HB VAL 90 HB VAL 90 7.777 12.964 2.822 758 HG11 VAL 90 HG11 VAL 90 6.300 15.081 1.264 759 HG12 VAL 90 HG12 VAL 90 5.684 14.125 2.613 760 HG13 VAL 90 HG13 VAL 90 6.052 13.344 1.075 761 HG21 VAL 90 HG21 VAL 90 9.206 12.713 1.139 762 HG22 VAL 90 HG22 VAL 90 9.445 14.456 1.030 763 HG23 VAL 90 HG23 VAL 90 8.138 13.689 0.129 764 H VAL 91 H VAL 91 8.560 13.709 5.263 765 HA VAL 91 HA VAL 91 6.047 13.872 6.430 766 HB VAL 91 HB VAL 91 8.634 13.755 7.980 767 HG11 VAL 91 HG11 VAL 91 6.985 12.120 9.281 768 HG12 VAL 91 HG12 VAL 91 5.786 13.206 8.578 769 HG13 VAL 91 HG13 VAL 91 7.060 13.849 9.613 770 HG21 VAL 91 HG21 VAL 91 7.734 11.159 7.653 771 HG22 VAL 91 HG22 VAL 91 9.110 11.901 6.838 772 HG23 VAL 91 HG23 VAL 91 7.528 11.882 6.058 773 H ARG 92 H ARG 92 8.796 16.070 6.699 774 HA ARG 92 HA ARG 92 7.995 17.674 8.790 775 HB2 ARG 92 HB2 ARG 92 9.870 17.838 6.632 776 HB3 ARG 92 HB3 ARG 92 9.075 19.395 6.811 777 HG2 ARG 92 HG2 ARG 92 10.030 19.809 8.814 778 HG3 ARG 92 HG3 ARG 92 10.011 18.113 9.298 779 HD2 ARG 92 HD2 ARG 92 11.788 17.977 7.300 780 HD3 ARG 92 HD3 ARG 92 12.054 19.645 7.806 781 HE ARG 92 HE ARG 92 12.763 17.258 9.244 782 HH11 ARG 92 HH11 ARG 92 12.029 20.660 9.529 783 HH12 ARG 92 HH12 ARG 92 12.894 20.849 11.017 784 HH21 ARG 92 HH21 ARG 92 13.901 17.507 11.201 785 HH22 ARG 92 HH22 ARG 92 13.958 19.060 11.966 786 H VAL 93 H VAL 93 6.694 17.493 5.574 787 HA VAL 93 HA VAL 93 5.258 19.984 5.739 788 HB VAL 93 HB VAL 93 4.770 17.731 3.792 789 HG11 VAL 93 HG11 VAL 93 3.694 20.398 4.153 790 HG12 VAL 93 HG12 VAL 93 3.131 19.084 3.120 791 HG13 VAL 93 HG13 VAL 93 4.389 20.179 2.548 792 HG21 VAL 93 HG21 VAL 93 7.046 18.152 3.501 793 HG22 VAL 93 HG22 VAL 93 6.863 19.880 3.805 794 HG23 VAL 93 HG23 VAL 93 6.275 19.183 2.296 795 H LEU 94 H LEU 94 4.355 16.539 5.815 796 HA LEU 94 HA LEU 94 1.844 17.325 7.146 797 HB2 LEU 94 HB2 LEU 94 2.388 15.382 4.972 798 HB3 LEU 94 HB3 LEU 94 1.191 14.930 6.169 799 HG LEU 94 HG LEU 94 0.200 15.985 4.169 800 HD11 LEU 94 HD11 LEU 94 -0.420 16.423 6.816 801 HD12 LEU 94 HD12 LEU 94 -1.448 16.794 5.432 802 HD13 LEU 94 HD13 LEU 94 -0.416 18.045 6.125 803 HD21 LEU 94 HD21 LEU 94 2.334 17.714 4.322 804 HD22 LEU 94 HD22 LEU 94 0.980 18.698 4.876 805 HD23 LEU 94 HD23 LEU 94 0.912 17.912 3.299 806 HA PRO 95 HA PRO 95 4.298 14.610 10.021 807 HB2 PRO 95 HB2 PRO 95 3.943 16.150 12.223 808 HB3 PRO 95 HB3 PRO 95 5.255 16.423 11.070 809 HG2 PRO 95 HG2 PRO 95 2.621 17.829 11.311 810 HG3 PRO 95 HG3 PRO 95 4.233 18.513 11.031 811 HD2 PRO 95 HD2 PRO 95 2.439 18.129 9.035 812 HD3 PRO 95 HD3 PRO 95 4.192 18.013 8.783 813 H SER 96 H SER 96 1.116 15.801 9.749 814 HA SER 96 HA SER 96 0.148 14.064 11.906 815 HB2 SER 96 HB2 SER 96 -2.076 15.309 11.304 816 HB3 SER 96 HB3 SER 96 -0.840 16.142 12.246 817 HG SER 96 HG SER 96 -1.692 16.577 9.642 818 H SER 97 H SER 97 0.028 14.590 8.444 819 HA SER 97 HA SER 97 -2.112 12.813 7.889 820 HB2 SER 97 HB2 SER 97 -1.032 14.601 6.352 821 HB3 SER 97 HB3 SER 97 0.134 13.339 5.959 822 HG SER 97 HG SER 97 -1.398 12.987 4.499 823 H LEU 98 H LEU 98 1.402 12.398 7.975 824 HA LEU 98 HA LEU 98 1.593 9.811 7.010 825 HB2 LEU 98 HB2 LEU 98 3.356 11.614 7.994 826 HB3 LEU 98 HB3 LEU 98 3.332 10.453 9.307 827 HG LEU 98 HG LEU 98 4.052 9.900 6.429 828 HD11 LEU 98 HD11 LEU 98 5.614 10.999 8.328 829 HD12 LEU 98 HD12 LEU 98 6.216 9.953 7.043 830 HD13 LEU 98 HD13 LEU 98 5.891 9.286 8.643 831 HD21 LEU 98 HD21 LEU 98 3.474 8.087 8.728 832 HD22 LEU 98 HD22 LEU 98 4.713 7.637 7.555 833 HD23 LEU 98 HD23 LEU 98 3.054 7.913 7.023 834 H GLU 99 H GLU 99 0.424 10.923 10.089 835 HA GLU 99 HA GLU 99 0.709 8.591 11.606 836 HB2 GLU 99 HB2 GLU 99 -0.608 11.107 11.867 837 HB3 GLU 99 HB3 GLU 99 -1.753 9.848 12.303 838 HG2 GLU 99 HG2 GLU 99 0.940 9.565 13.448 839 HG3 GLU 99 HG3 GLU 99 0.009 10.954 14.009 840 H ILE 100 H ILE 100 -1.716 9.534 9.246 841 HA ILE 100 HA ILE 100 -3.421 7.275 9.786 842 HB ILE 100 HB ILE 100 -3.480 9.087 7.374 843 HG12 ILE 100 HG12 ILE 100 -4.921 9.390 10.020 844 HG13 ILE 100 HG13 ILE 100 -3.598 10.405 9.453 845 HG21 ILE 100 HG21 ILE 100 -4.964 7.507 6.763 846 HG22 ILE 100 HG22 ILE 100 -6.038 8.378 7.859 847 HG23 ILE 100 HG23 ILE 100 -5.194 6.933 8.415 848 HD11 ILE 100 HD11 ILE 100 -5.363 11.716 8.890 849 HD12 ILE 100 HD12 ILE 100 -6.439 10.345 8.619 850 HD13 ILE 100 HD13 ILE 100 -5.226 10.768 7.409 851 H PHE 101 H PHE 101 -0.892 8.100 7.498 852 HA PHE 101 HA PHE 101 -1.341 5.847 5.791 853 HB2 PHE 101 HB2 PHE 101 1.077 7.646 6.042 854 HB3 PHE 101 HB3 PHE 101 0.789 6.497 4.740 855 HD1 PHE 101 HD1 PHE 101 -2.003 6.900 4.091 856 HD2 PHE 101 HD2 PHE 101 0.981 9.756 5.118 857 HE1 PHE 101 HE1 PHE 101 -3.228 8.626 2.836 858 HE2 PHE 101 HE2 PHE 101 -0.240 11.488 3.866 859 HZ PHE 101 HZ PHE 101 -2.347 10.924 2.725 860 H GLU 102 H GLU 102 0.937 6.600 8.401 861 HA GLU 102 HA GLU 102 2.558 4.349 8.221 862 HB2 GLU 102 HB2 GLU 102 3.139 4.748 10.552 863 HB3 GLU 102 HB3 GLU 102 3.050 6.270 9.676 864 HG2 GLU 102 HG2 GLU 102 0.860 6.710 10.618 865 HG3 GLU 102 HG3 GLU 102 0.892 5.161 11.457 866 H GLU 103 H GLU 103 -0.531 4.789 9.880 867 HA GLU 103 HA GLU 103 -0.539 2.116 10.945 868 HB2 GLU 103 HB2 GLU 103 -1.890 4.458 11.536 869 HB3 GLU 103 HB3 GLU 103 -3.136 3.450 10.811 870 HG2 GLU 103 HG2 GLU 103 -2.322 1.634 12.431 871 HG3 GLU 103 HG3 GLU 103 -1.518 2.954 13.279 872 H LEU 104 H LEU 104 -1.366 3.566 7.968 873 HA LEU 104 HA LEU 104 -3.386 1.698 7.175 874 HB2 LEU 104 HB2 LEU 104 -2.835 4.108 6.292 875 HB3 LEU 104 HB3 LEU 104 -1.743 3.252 5.220 876 HG LEU 104 HG LEU 104 -4.735 2.907 5.389 877 HD11 LEU 104 HD11 LEU 104 -3.490 4.891 4.161 878 HD12 LEU 104 HD12 LEU 104 -4.900 4.097 3.455 879 HD13 LEU 104 HD13 LEU 104 -3.279 3.659 2.916 880 HD21 LEU 104 HD21 LEU 104 -2.667 1.410 3.792 881 HD22 LEU 104 HD22 LEU 104 -4.392 1.392 3.426 882 HD23 LEU 104 HD23 LEU 104 -3.810 0.751 4.962 883 H TYR 105 H TYR 105 0.052 2.134 6.333 884 HA TYR 105 HA TYR 105 0.233 -0.089 4.633 885 HB2 TYR 105 HB2 TYR 105 2.545 0.261 4.620 886 HB3 TYR 105 HB3 TYR 105 1.898 1.857 4.973 887 HD1 TYR 105 HD1 TYR 105 3.316 -1.161 6.642 888 HD2 TYR 105 HD2 TYR 105 2.665 3.038 6.817 889 HE1 TYR 105 HE1 TYR 105 4.738 -1.030 8.644 890 HE2 TYR 105 HE2 TYR 105 4.087 3.182 8.818 891 HH TYR 105 HH TYR 105 6.201 0.944 9.736 892 H LYS 106 H LYS 106 0.677 0.219 8.117 893 HA LYS 106 HA LYS 106 1.629 -2.422 8.533 894 HB2 LYS 106 HB2 LYS 106 0.936 -0.122 10.154 895 HB3 LYS 106 HB3 LYS 106 0.358 -1.610 10.892 896 HG2 LYS 106 HG2 LYS 106 3.116 -1.704 9.883 897 HG3 LYS 106 HG3 LYS 106 2.837 -0.601 11.231 898 HD2 LYS 106 HD2 LYS 106 1.530 -2.690 12.197 899 HD3 LYS 106 HD3 LYS 106 2.619 -3.565 11.118 900 HE2 LYS 106 HE2 LYS 106 4.533 -2.752 12.225 901 HE3 LYS 106 HE3 LYS 106 3.614 -1.511 13.072 902 HZ1 LYS 106 HZ1 LYS 106 4.020 -3.179 14.643 903 HZ2 LYS 106 HZ2 LYS 106 3.634 -4.428 13.569 904 HZ3 LYS 106 HZ3 LYS 106 2.413 -3.427 14.174 905 H TYR 107 H TYR 107 -1.549 -0.994 8.299 906 HA TYR 107 HA TYR 107 -3.067 -3.036 9.470 907 HB2 TYR 107 HB2 TYR 107 -4.025 -0.859 8.943 908 HB3 TYR 107 HB3 TYR 107 -3.788 -1.142 7.221 909 HD1 TYR 107 HD1 TYR 107 -5.132 -2.923 6.080 910 HD2 TYR 107 HD2 TYR 107 -5.939 -1.683 10.069 911 HE1 TYR 107 HE1 TYR 107 -7.370 -3.930 5.934 912 HE2 TYR 107 HE2 TYR 107 -8.180 -2.687 9.934 913 HH TYR 107 HH TYR 107 -9.676 -3.481 7.172 914 H ALA 108 H ALA 108 -2.168 -2.525 6.063 915 HA ALA 108 HA ALA 108 -3.367 -4.959 5.178 916 HB1 ALA 108 HB1 ALA 108 -3.251 -3.511 3.429 917 HB2 ALA 108 HB2 ALA 108 -1.752 -4.396 3.146 918 HB3 ALA 108 HB3 ALA 108 -1.711 -2.828 3.952 919 H LEU 109 H LEU 109 -0.204 -4.041 6.333 920 HA LEU 109 HA LEU 109 1.303 -6.186 5.357 921 HB2 LEU 109 HB2 LEU 109 1.740 -3.991 7.014 922 HB3 LEU 109 HB3 LEU 109 2.096 -5.374 8.032 923 HG LEU 109 HG LEU 109 3.305 -5.366 5.322 924 HD11 LEU 109 HD11 LEU 109 3.613 -3.047 6.019 925 HD12 LEU 109 HD12 LEU 109 5.140 -3.929 6.036 926 HD13 LEU 109 HD13 LEU 109 4.298 -3.593 7.549 927 HD21 LEU 109 HD21 LEU 109 3.514 -6.992 7.452 928 HD22 LEU 109 HD22 LEU 109 4.846 -5.885 7.782 929 HD23 LEU 109 HD23 LEU 109 4.796 -6.776 6.261 930 H ASN 110 H ASN 110 -0.761 -5.903 8.193 931 HA ASN 110 HA ASN 110 -0.003 -8.412 9.325 932 HB2 ASN 110 HB2 ASN 110 -1.805 -6.230 9.982 933 HB3 ASN 110 HB3 ASN 110 -2.543 -7.796 10.306 934 HD21 ASN 110 HD21 ASN 110 -2.469 -7.722 12.491 935 HD22 ASN 110 HD22 ASN 110 -1.004 -7.704 13.407 936 H GLU 111 H GLU 111 -2.415 -7.353 7.034 937 HA GLU 111 HA GLU 111 -4.108 -9.590 7.107 938 HB2 GLU 111 HB2 GLU 111 -3.473 -7.745 4.801 939 HB3 GLU 111 HB3 GLU 111 -4.817 -8.876 4.844 940 HG2 GLU 111 HG2 GLU 111 -4.800 -7.156 7.167 941 HG3 GLU 111 HG3 GLU 111 -4.832 -6.230 5.666 942 H ASN 112 H ASN 112 -1.107 -8.972 5.392 943 HA ASN 112 HA ASN 112 -1.263 -11.396 3.844 944 HB2 ASN 112 HB2 ASN 112 0.458 -9.049 3.957 945 HB3 ASN 112 HB3 ASN 112 1.382 -10.536 3.768 946 HD21 ASN 112 HD21 ASN 112 -0.918 -8.385 2.336 947 HD22 ASN 112 HD22 ASN 112 -0.895 -9.079 0.755 948 H SER 113 H SER 113 0.276 -10.334 6.810 949 HA SER 113 HA SER 113 1.874 -12.703 7.104 950 HB2 SER 113 HB2 SER 113 2.465 -10.456 8.081 951 HB3 SER 113 HB3 SER 113 1.157 -10.685 9.241 952 HG SER 113 HG SER 113 2.228 -12.515 10.016 953 H ASN 114 H ASN 114 -0.711 -11.400 9.190 954 HA ASN 114 HA ASN 114 -1.213 -13.920 10.406 955 HB2 ASN 114 HB2 ASN 114 -2.351 -11.193 10.558 956 HB3 ASN 114 HB3 ASN 114 -3.444 -12.503 10.994 957 HD21 ASN 114 HD21 ASN 114 0.047 -12.216 11.452 958 HD22 ASN 114 HD22 ASN 114 0.007 -12.328 13.175 959 H ASP 115 H ASP 115 -3.812 -14.407 10.515 960 HA ASP 115 HA ASP 115 -5.541 -15.436 9.453 961 HB2 ASP 115 HB2 ASP 115 -4.869 -13.181 7.623 962 HB3 ASP 115 HB3 ASP 115 -5.958 -14.428 7.023 963 H ARG 116 H ARG 116 -2.789 -16.438 9.150 964 HA ARG 116 HA ARG 116 -2.649 -17.538 6.485 965 HB2 ARG 116 HB2 ARG 116 -0.673 -16.879 8.008 966 HB3 ARG 116 HB3 ARG 116 -0.967 -18.409 8.821 967 HG2 ARG 116 HG2 ARG 116 0.042 -19.567 7.216 968 HG3 ARG 116 HG3 ARG 116 -0.836 -18.716 5.943 969 HD2 ARG 116 HD2 ARG 116 0.789 -17.115 5.704 970 HD3 ARG 116 HD3 ARG 116 1.352 -17.284 7.366 971 HE ARG 116 HE ARG 116 2.825 -18.884 6.661 972 HH11 ARG 116 HH11 ARG 116 0.402 -18.429 4.190 973 HH12 ARG 116 HH12 ARG 116 1.209 -19.440 3.038 974 HH21 ARG 116 HH21 ARG 116 3.887 -20.213 5.146 975 HH22 ARG 116 HH22 ARG 116 3.186 -20.452 3.579 976 H SER 117 H SER 117 -4.312 -18.929 6.118 977 HA SER 117 HA SER 117 -5.517 -20.856 6.174 978 HB2 SER 117 HB2 SER 117 -2.924 -21.609 6.694 979 HB3 SER 117 HB3 SER 117 -3.795 -22.311 8.057 980 HG SER 117 HG SER 117 -5.285 -23.124 6.352 981 H GLU 118 H GLU 118 -7.380 -20.539 7.218 982 HA GLU 118 HA GLU 118 -7.497 -20.023 10.040 983 HB2 GLU 118 HB2 GLU 118 -9.990 -20.126 9.643 984 HB3 GLU 118 HB3 GLU 118 -9.119 -18.913 8.712 985 HG2 GLU 118 HG2 GLU 118 -9.423 -21.516 7.391 986 HG3 GLU 118 HG3 GLU 118 -10.925 -20.638 7.683 987 H HIS 119 H HIS 119 -7.094 -22.834 8.326 988 HA HIS 119 HA HIS 119 -7.216 -25.036 8.873 989 HB2 HIS 119 HB2 HIS 119 -7.982 -24.127 11.651 990 HB3 HIS 119 HB3 HIS 119 -7.258 -25.665 11.190 991 HD1 HIS 119 HD1 HIS 119 -4.714 -25.629 10.559 992 HD2 HIS 119 HD2 HIS 119 -6.205 -22.035 12.017 993 HE1 HIS 119 HE1 HIS 119 -2.692 -24.244 11.126 994 HE2 HIS 119 HE2 HIS 119 -3.621 -22.109 12.090 995 H HIS 120 H HIS 120 -9.526 -23.671 7.840 996 HA HIS 120 HA HIS 120 -11.809 -24.823 9.210 997 HB2 HIS 120 HB2 HIS 120 -11.473 -22.558 7.677 998 HB3 HIS 120 HB3 HIS 120 -12.290 -23.654 6.566 999 HD1 HIS 120 HD1 HIS 120 -12.764 -22.494 10.168 1000 HD2 HIS 120 HD2 HIS 120 -14.974 -23.515 6.800 1001 HE1 HIS 120 HE1 HIS 120 -15.167 -22.104 10.797 1002 HE2 HIS 120 HE2 HIS 120 -16.479 -22.642 8.715 1003 H LYS 121 H LYS 121 -9.832 -25.421 6.400 1004 HA LYS 121 HA LYS 121 -11.107 -28.014 6.070 1005 HB2 LYS 121 HB2 LYS 121 -11.170 -27.617 3.540 1006 HB3 LYS 121 HB3 LYS 121 -12.425 -26.853 4.506 1007 HG2 LYS 121 HG2 LYS 121 -11.819 -25.147 3.098 1008 HG3 LYS 121 HG3 LYS 121 -10.805 -24.814 4.502 1009 HD2 LYS 121 HD2 LYS 121 -9.522 -24.617 2.440 1010 HD3 LYS 121 HD3 LYS 121 -8.934 -25.965 3.415 1011 HE2 LYS 121 HE2 LYS 121 -9.904 -27.559 1.998 1012 HE3 LYS 121 HE3 LYS 121 -10.959 -26.368 1.238 1013 HZ1 LYS 121 HZ1 LYS 121 -8.824 -25.313 0.405 1014 HZ2 LYS 121 HZ2 LYS 121 -9.282 -26.777 -0.312 1015 HZ3 LYS 121 HZ3 LYS 121 -8.054 -26.752 0.850 1016 H LYS 122 H LYS 122 -9.896 -29.038 3.959 1017 HA LYS 122 HA LYS 122 -7.106 -28.334 3.844 1018 HB2 LYS 122 HB2 LYS 122 -7.928 -30.197 5.792 1019 HB3 LYS 122 HB3 LYS 122 -7.165 -31.133 4.513 1020 HG2 LYS 122 HG2 LYS 122 -5.495 -30.580 6.111 1021 HG3 LYS 122 HG3 LYS 122 -5.200 -29.608 4.666 1022 HD2 LYS 122 HD2 LYS 122 -5.939 -27.651 5.683 1023 HD3 LYS 122 HD3 LYS 122 -6.840 -28.522 6.926 1024 HE2 LYS 122 HE2 LYS 122 -5.049 -28.695 8.267 1025 HE3 LYS 122 HE3 LYS 122 -3.963 -29.066 6.929 1026 HZ1 LYS 122 HZ1 LYS 122 -3.302 -26.998 7.857 1027 HZ2 LYS 122 HZ2 LYS 122 -4.878 -26.384 7.806 1028 HZ3 LYS 122 HZ3 LYS 122 -4.029 -26.657 6.369 1029 HA PRO 123 HA PRO 123 -8.001 -32.152 0.881 1030 HB2 PRO 123 HB2 PRO 123 -10.973 -32.114 1.052 1031 HB3 PRO 123 HB3 PRO 123 -9.872 -33.485 0.883 1032 HG2 PRO 123 HG2 PRO 123 -11.055 -32.980 3.211 1033 HG3 PRO 123 HG3 PRO 123 -9.369 -33.530 3.148 1034 HD2 PRO 123 HD2 PRO 123 -10.455 -30.791 3.634 1035 HD3 PRO 123 HD3 PRO 123 -9.059 -31.597 4.372 1036 H ARG 124 H ARG 124 -8.521 -31.960 -1.346 1037 HA ARG 124 HA ARG 124 -9.149 -29.234 -2.134 1038 HB2 ARG 124 HB2 ARG 124 -7.708 -31.505 -3.307 1039 HB3 ARG 124 HB3 ARG 124 -8.677 -30.605 -4.465 1040 HG2 ARG 124 HG2 ARG 124 -7.529 -28.525 -3.433 1041 HG3 ARG 124 HG3 ARG 124 -6.344 -29.693 -2.843 1042 HD2 ARG 124 HD2 ARG 124 -5.677 -30.289 -4.983 1043 HD3 ARG 124 HD3 ARG 124 -7.168 -29.699 -5.718 1044 HE ARG 124 HE ARG 124 -5.589 -27.627 -4.509 1045 HH11 ARG 124 HH11 ARG 124 -6.075 -29.525 -7.397 1046 HH12 ARG 124 HH12 ARG 124 -5.359 -28.346 -8.444 1047 HH21 ARG 124 HH21 ARG 124 -4.650 -26.073 -5.885 1048 HH22 ARG 124 HH22 ARG 124 -4.551 -26.385 -7.585 1049 H ILE 125 H ILE 125 -11.294 -28.855 -2.133 1050 HA ILE 125 HA ILE 125 -13.049 -30.799 -3.470 1051 HB ILE 125 HB ILE 125 -13.667 -30.227 -1.153 1052 HG12 ILE 125 HG12 ILE 125 -16.028 -29.676 -1.598 1053 HG13 ILE 125 HG13 ILE 125 -15.602 -29.180 -3.233 1054 HG21 ILE 125 HG21 ILE 125 -14.626 -27.538 -1.816 1055 HG22 ILE 125 HG22 ILE 125 -12.871 -27.698 -1.755 1056 HG23 ILE 125 HG23 ILE 125 -13.846 -28.141 -0.354 1057 HD11 ILE 125 HD11 ILE 125 -14.624 -31.813 -2.812 1058 HD12 ILE 125 HD12 ILE 125 -15.863 -31.256 -3.936 1059 HD13 ILE 125 HD13 ILE 125 -16.311 -31.746 -2.302 1060 H ASP 126 H ASP 126 -14.646 -30.045 -4.948 1061 HA ASP 126 HA ASP 126 -14.612 -27.332 -5.882 1062 HB2 ASP 126 HB2 ASP 126 -12.615 -28.830 -6.936 1063 HB3 ASP 126 HB3 ASP 126 -13.904 -29.175 -8.085 1064 H ASP 127 H ASP 127 -15.527 -30.687 -6.530 1065 HA ASP 127 HA ASP 127 -17.553 -31.607 -7.029 1066 HB2 ASP 127 HB2 ASP 127 -18.275 -29.246 -5.778 1067 HB3 ASP 127 HB3 ASP 127 -19.126 -29.158 -7.316 1068 H SER 128 H SER 128 -17.298 -32.382 -9.029 1069 HA SER 128 HA SER 128 -18.199 -30.738 -11.257 1070 HB2 SER 128 HB2 SER 128 -16.245 -31.331 -12.647 1071 HB3 SER 128 HB3 SER 128 -15.777 -30.375 -11.242 1072 HG SER 128 HG SER 128 -15.668 -33.208 -11.328 1073 H SER 129 H SER 129 -17.825 -32.316 -13.359 1074 HA SER 129 HA SER 129 -18.536 -35.056 -12.703 1075 HB2 SER 129 HB2 SER 129 -20.625 -35.042 -13.921 1076 HB3 SER 129 HB3 SER 129 -20.689 -33.780 -12.693 1077 HG SER 129 HG SER 129 -19.973 -32.338 -14.452 1078 H ASP 130 H ASP 130 -16.531 -35.479 -13.744 1079 HA ASP 130 HA ASP 130 -16.699 -35.320 -16.680 1080 HB2 ASP 130 HB2 ASP 130 -14.578 -34.395 -14.876 1081 HB3 ASP 130 HB3 ASP 130 -13.996 -35.427 -16.179 1082 H LEU 131 H LEU 131 -16.954 -37.298 -17.462 1083 HA LEU 131 HA LEU 131 -16.221 -39.636 -15.968 1084 HB2 LEU 131 HB2 LEU 131 -18.017 -39.051 -18.016 1085 HB3 LEU 131 HB3 LEU 131 -16.841 -40.114 -18.764 1086 HG LEU 131 HG LEU 131 -17.403 -41.386 -16.373 1087 HD11 LEU 131 HD11 LEU 131 -19.666 -41.338 -15.928 1088 HD12 LEU 131 HD12 LEU 131 -20.070 -40.671 -17.510 1089 HD13 LEU 131 HD13 LEU 131 -19.325 -39.645 -16.283 1090 HD21 LEU 131 HD21 LEU 131 -17.200 -42.768 -18.177 1091 HD22 LEU 131 HD22 LEU 131 -18.181 -41.737 -19.221 1092 HD23 LEU 131 HD23 LEU 131 -18.956 -42.758 -18.009 1093 H LEU 132 H LEU 132 -15.305 -41.416 -17.820 1094 HA LEU 132 HA LEU 132 -12.537 -40.903 -17.845 1095 HB2 LEU 132 HB2 LEU 132 -14.141 -43.111 -18.196 1096 HB3 LEU 132 HB3 LEU 132 -13.457 -42.885 -19.793 1097 HG LEU 132 HG LEU 132 -11.187 -42.948 -18.804 1098 HD11 LEU 132 HD11 LEU 132 -10.766 -43.097 -16.595 1099 HD12 LEU 132 HD12 LEU 132 -12.193 -44.083 -16.277 1100 HD13 LEU 132 HD13 LEU 132 -12.352 -42.336 -16.461 1101 HD21 LEU 132 HD21 LEU 132 -12.769 -45.014 -19.475 1102 HD22 LEU 132 HD22 LEU 132 -12.411 -45.437 -17.801 1103 HD23 LEU 132 HD23 LEU 132 -11.096 -45.199 -18.950 1104 H LYS 133 H LYS 133 -11.394 -41.482 -20.140 1105 HA LYS 133 HA LYS 133 -12.363 -39.414 -22.001 1106 HB2 LYS 133 HB2 LYS 133 -9.640 -40.153 -21.054 1107 HB3 LYS 133 HB3 LYS 133 -9.801 -39.616 -22.721 1108 HG2 LYS 133 HG2 LYS 133 -10.951 -37.569 -21.861 1109 HG3 LYS 133 HG3 LYS 133 -10.529 -38.095 -20.230 1110 HD2 LYS 133 HD2 LYS 133 -8.206 -37.911 -20.678 1111 HD3 LYS 133 HD3 LYS 133 -8.486 -37.723 -22.410 1112 HE2 LYS 133 HE2 LYS 133 -9.502 -35.763 -20.365 1113 HE3 LYS 133 HE3 LYS 133 -7.918 -35.614 -21.129 1114 HZ1 LYS 133 HZ1 LYS 133 -10.373 -35.866 -22.750 1115 HZ2 LYS 133 HZ2 LYS 133 -8.867 -35.239 -23.199 1116 HZ3 LYS 133 HZ3 LYS 133 -9.872 -34.362 -22.158 1117 H THR 134 H THR 134 -11.411 -39.793 -24.292 1118 HA THR 134 HA THR 134 -12.045 -42.565 -25.016 1119 HB THR 134 HB THR 134 -12.022 -41.289 -27.389 1120 HG1 THR 134 HG1 THR 134 -11.563 -39.265 -26.586 1121 HG21 THR 134 HG21 THR 134 -14.520 -40.619 -26.176 1122 HG22 THR 134 HG22 THR 134 -14.009 -42.226 -25.656 1123 HG23 THR 134 HG23 THR 134 -14.152 -41.859 -27.375 1124 H ASP 135 H ASP 135 -9.966 -43.400 -24.514 1125 HA ASP 135 HA ASP 135 -7.977 -42.827 -26.596 1126 HB2 ASP 135 HB2 ASP 135 -6.188 -43.159 -24.851 1127 HB3 ASP 135 HB3 ASP 135 -7.123 -41.676 -24.683 1128 H GLU 136 H GLU 136 -8.964 -45.056 -24.013 1129 HA GLU 136 HA GLU 136 -8.150 -47.285 -25.754 1130 HB2 GLU 136 HB2 GLU 136 -6.809 -46.652 -23.482 1131 HB3 GLU 136 HB3 GLU 136 -8.018 -47.758 -22.841 1132 HG2 GLU 136 HG2 GLU 136 -7.273 -49.309 -24.768 1133 HG3 GLU 136 HG3 GLU 136 -5.845 -48.279 -24.822 1134 H ILE 137 H ILE 137 -9.479 -49.077 -25.772 1135 HA ILE 137 HA ILE 137 -12.066 -48.730 -24.406 1136 HB ILE 137 HB ILE 137 -12.201 -48.692 -26.863 1137 HG12 ILE 137 HG12 ILE 137 -13.842 -50.655 -27.077 1138 HG13 ILE 137 HG13 ILE 137 -13.431 -51.030 -25.406 1139 HG21 ILE 137 HG21 ILE 137 -10.359 -50.020 -27.529 1140 HG22 ILE 137 HG22 ILE 137 -11.807 -50.869 -28.072 1141 HG23 ILE 137 HG23 ILE 137 -10.952 -51.419 -26.632 1142 HD11 ILE 137 HD11 ILE 137 -14.023 -48.360 -25.288 1143 HD12 ILE 137 HD12 ILE 137 -15.120 -49.680 -24.883 1144 HD13 ILE 137 HD13 ILE 137 -15.161 -48.960 -26.492 Start of MODEL 5 1 H1 GLY -2 H1 GLY -2 -7.920 12.872 -17.587 2 H2 GLY -2 H2 GLY -2 -7.705 13.871 -18.933 3 H3 GLY -2 H3 GLY -2 -9.202 13.134 -18.659 4 HA2 GLY -2 HA2 GLY -2 -7.940 15.333 -17.133 5 HA3 GLY -2 HA3 GLY -2 -9.472 15.359 -17.993 6 H HIS -1 H HIS -1 -10.174 12.659 -16.977 7 HA HIS -1 HA HIS -1 -10.675 13.329 -14.154 8 HB2 HIS -1 HB2 HIS -1 -12.945 12.335 -14.408 9 HB3 HIS -1 HB3 HIS -1 -12.718 13.799 -15.358 10 HD1 HIS -1 HD1 HIS -1 -13.274 13.639 -17.779 11 HD2 HIS -1 HD2 HIS -1 -12.740 9.902 -16.041 12 HE1 HIS -1 HE1 HIS -1 -13.908 11.976 -19.554 13 HE2 HIS -1 HE2 HIS -1 -13.655 9.723 -18.454 14 H MET 0 H MET 0 -8.601 11.678 -15.099 15 HA MET 0 HA MET 0 -9.459 9.098 -13.982 16 HB2 MET 0 HB2 MET 0 -7.882 7.983 -15.591 17 HB3 MET 0 HB3 MET 0 -9.316 8.684 -16.329 18 HG2 MET 0 HG2 MET 0 -7.697 10.756 -16.624 19 HG3 MET 0 HG3 MET 0 -6.474 9.488 -16.555 20 HE1 MET 0 HE1 MET 0 -10.109 8.750 -18.866 21 HE2 MET 0 HE2 MET 0 -9.746 10.393 -19.393 22 HE3 MET 0 HE3 MET 0 -9.930 10.039 -17.675 23 H MET 1 H MET 1 -7.915 7.992 -12.766 24 HA MET 1 HA MET 1 -5.263 9.105 -12.446 25 HB2 MET 1 HB2 MET 1 -7.431 9.615 -10.536 26 HB3 MET 1 HB3 MET 1 -5.981 8.947 -9.799 27 HG2 MET 1 HG2 MET 1 -4.737 10.792 -10.225 28 HG3 MET 1 HG3 MET 1 -5.627 11.189 -11.696 29 HE1 MET 1 HE1 MET 1 -8.439 12.891 -11.143 30 HE2 MET 1 HE2 MET 1 -6.928 12.729 -12.037 31 HE3 MET 1 HE3 MET 1 -7.165 14.095 -10.948 32 H SER 2 H SER 2 -3.866 7.755 -11.147 33 HA SER 2 HA SER 2 -4.703 4.955 -11.249 34 HB2 SER 2 HB2 SER 2 -2.121 6.389 -11.435 35 HB3 SER 2 HB3 SER 2 -2.073 4.845 -10.583 36 HG SER 2 HG SER 2 -1.868 4.171 -12.596 37 H LYS 3 H LYS 3 -6.024 5.006 -9.365 38 HA LYS 3 HA LYS 3 -4.470 5.033 -6.863 39 HB2 LYS 3 HB2 LYS 3 -7.146 6.206 -7.490 40 HB3 LYS 3 HB3 LYS 3 -6.852 5.588 -5.871 41 HG2 LYS 3 HG2 LYS 3 -4.739 7.060 -5.928 42 HG3 LYS 3 HG3 LYS 3 -5.528 7.866 -7.285 43 HD2 LYS 3 HD2 LYS 3 -7.058 7.433 -4.760 44 HD3 LYS 3 HD3 LYS 3 -5.866 8.733 -4.831 45 HE2 LYS 3 HE2 LYS 3 -8.160 8.357 -6.753 46 HE3 LYS 3 HE3 LYS 3 -8.129 9.502 -5.413 47 HZ1 LYS 3 HZ1 LYS 3 -6.724 9.597 -7.972 48 HZ2 LYS 3 HZ2 LYS 3 -5.926 10.236 -6.625 49 HZ3 LYS 3 HZ3 LYS 3 -7.433 10.848 -7.084 50 H LEU 4 H LEU 4 -4.166 2.740 -7.332 51 HA LEU 4 HA LEU 4 -6.556 1.084 -6.999 52 HB2 LEU 4 HB2 LEU 4 -3.861 0.679 -8.148 53 HB3 LEU 4 HB3 LEU 4 -4.565 -0.706 -7.336 54 HG LEU 4 HG LEU 4 -6.255 0.715 -9.328 55 HD11 LEU 4 HD11 LEU 4 -3.740 0.209 -10.116 56 HD12 LEU 4 HD12 LEU 4 -5.140 0.082 -11.182 57 HD13 LEU 4 HD13 LEU 4 -4.475 -1.365 -10.423 58 HD21 LEU 4 HD21 LEU 4 -6.624 -1.478 -7.816 59 HD22 LEU 4 HD22 LEU 4 -5.938 -2.217 -9.264 60 HD23 LEU 4 HD23 LEU 4 -7.396 -1.232 -9.383 61 H PHE 5 H PHE 5 -5.308 2.645 -4.810 62 HA PHE 5 HA PHE 5 -4.693 0.401 -3.003 63 HB2 PHE 5 HB2 PHE 5 -3.365 2.051 -1.658 64 HB3 PHE 5 HB3 PHE 5 -2.691 1.703 -3.247 65 HD1 PHE 5 HD1 PHE 5 -3.117 3.359 -5.114 66 HD2 PHE 5 HD2 PHE 5 -3.875 4.234 -1.020 67 HE1 PHE 5 HE1 PHE 5 -3.089 5.765 -5.627 68 HE2 PHE 5 HE2 PHE 5 -3.848 6.642 -1.525 69 HZ PHE 5 HZ PHE 5 -3.454 7.410 -3.831 70 H LEU 6 H LEU 6 -6.198 3.581 -3.325 71 HA LEU 6 HA LEU 6 -7.333 3.628 -0.724 72 HB2 LEU 6 HB2 LEU 6 -7.157 5.371 -2.920 73 HB3 LEU 6 HB3 LEU 6 -8.871 5.138 -2.640 74 HG LEU 6 HG LEU 6 -8.478 5.767 -0.236 75 HD11 LEU 6 HD11 LEU 6 -6.025 5.281 -0.307 76 HD12 LEU 6 HD12 LEU 6 -6.450 6.842 0.397 77 HD13 LEU 6 HD13 LEU 6 -5.823 6.758 -1.250 78 HD21 LEU 6 HD21 LEU 6 -9.058 7.304 -2.349 79 HD22 LEU 6 HD22 LEU 6 -7.564 8.083 -1.827 80 HD23 LEU 6 HD23 LEU 6 -8.920 7.936 -0.708 81 H ASP 7 H ASP 7 -8.394 2.383 -3.824 82 HA ASP 7 HA ASP 7 -11.112 2.021 -3.266 83 HB2 ASP 7 HB2 ASP 7 -9.167 0.892 -5.197 84 HB3 ASP 7 HB3 ASP 7 -10.630 -0.051 -4.926 85 H GLU 8 H GLU 8 -8.307 0.196 -2.298 86 HA GLU 8 HA GLU 8 -9.976 -1.956 -1.228 87 HB2 GLU 8 HB2 GLU 8 -7.067 -1.649 -1.823 88 HB3 GLU 8 HB3 GLU 8 -7.551 -2.797 -0.583 89 HG2 GLU 8 HG2 GLU 8 -9.068 -2.993 -3.080 90 HG3 GLU 8 HG3 GLU 8 -7.349 -3.350 -3.231 91 H LEU 9 H LEU 9 -10.217 0.587 -0.014 92 HA LEU 9 HA LEU 9 -9.264 -0.077 2.679 93 HB2 LEU 9 HB2 LEU 9 -8.931 2.533 1.232 94 HB3 LEU 9 HB3 LEU 9 -8.980 2.469 2.983 95 HG LEU 9 HG LEU 9 -7.023 0.821 1.406 96 HD11 LEU 9 HD11 LEU 9 -7.062 3.540 1.248 97 HD12 LEU 9 HD12 LEU 9 -5.621 2.535 1.085 98 HD13 LEU 9 HD13 LEU 9 -6.010 3.275 2.638 99 HD21 LEU 9 HD21 LEU 9 -7.695 0.682 4.004 100 HD22 LEU 9 HD22 LEU 9 -6.430 1.908 4.083 101 HD23 LEU 9 HD23 LEU 9 -6.078 0.322 3.395 102 HA PRO 10 HA PRO 10 -13.368 0.600 4.112 103 HB2 PRO 10 HB2 PRO 10 -12.160 2.357 6.195 104 HB3 PRO 10 HB3 PRO 10 -13.256 0.982 6.380 105 HG2 PRO 10 HG2 PRO 10 -10.667 0.736 6.947 106 HG3 PRO 10 HG3 PRO 10 -11.552 -0.576 6.145 107 HD2 PRO 10 HD2 PRO 10 -9.616 1.385 4.998 108 HD3 PRO 10 HD3 PRO 10 -9.874 -0.322 4.585 109 H GLU 11 H GLU 11 -14.986 2.266 4.452 110 HA GLU 11 HA GLU 11 -14.501 4.567 2.765 111 HB2 GLU 11 HB2 GLU 11 -16.648 3.031 2.968 112 HB3 GLU 11 HB3 GLU 11 -17.070 4.174 4.235 113 HG2 GLU 11 HG2 GLU 11 -16.618 5.985 2.483 114 HG3 GLU 11 HG3 GLU 11 -16.689 4.673 1.307 115 H SER 12 H SER 12 -14.936 3.861 6.158 116 HA SER 12 HA SER 12 -15.490 6.446 7.093 117 HB2 SER 12 HB2 SER 12 -14.899 3.888 8.228 118 HB3 SER 12 HB3 SER 12 -13.903 5.099 9.034 119 HG SER 12 HG SER 12 -16.720 5.012 8.804 120 H LEU 13 H LEU 13 -12.385 4.746 6.746 121 HA LEU 13 HA LEU 13 -10.841 6.995 7.593 122 HB2 LEU 13 HB2 LEU 13 -10.306 4.277 6.562 123 HB3 LEU 13 HB3 LEU 13 -9.052 5.466 6.260 124 HG LEU 13 HG LEU 13 -10.168 4.853 8.996 125 HD11 LEU 13 HD11 LEU 13 -8.730 3.090 7.572 126 HD12 LEU 13 HD12 LEU 13 -8.601 3.263 9.323 127 HD13 LEU 13 HD13 LEU 13 -7.424 4.048 8.270 128 HD21 LEU 13 HD21 LEU 13 -9.215 7.089 8.765 129 HD22 LEU 13 HD22 LEU 13 -7.730 6.396 8.114 130 HD23 LEU 13 HD23 LEU 13 -8.201 6.067 9.782 131 H SER 14 H SER 14 -11.627 5.566 4.446 132 HA SER 14 HA SER 14 -10.047 7.076 2.778 133 HB2 SER 14 HB2 SER 14 -12.752 5.834 2.460 134 HB3 SER 14 HB3 SER 14 -12.126 6.867 1.175 135 HG SER 14 HG SER 14 -11.505 4.748 0.783 136 H ARG 15 H ARG 15 -12.859 8.076 4.561 137 HA ARG 15 HA ARG 15 -13.431 10.422 3.069 138 HB2 ARG 15 HB2 ARG 15 -14.299 9.226 5.616 139 HB3 ARG 15 HB3 ARG 15 -14.378 10.983 5.566 140 HG2 ARG 15 HG2 ARG 15 -15.947 10.995 3.861 141 HG3 ARG 15 HG3 ARG 15 -15.549 9.353 3.352 142 HD2 ARG 15 HD2 ARG 15 -17.651 9.247 4.452 143 HD3 ARG 15 HD3 ARG 15 -16.460 8.556 5.551 144 HE ARG 15 HE ARG 15 -16.971 10.204 7.036 145 HH11 ARG 15 HH11 ARG 15 -17.925 11.271 3.854 146 HH12 ARG 15 HH12 ARG 15 -18.653 12.734 4.425 147 HH21 ARG 15 HH21 ARG 15 -17.930 12.128 7.792 148 HH22 ARG 15 HH22 ARG 15 -18.656 13.222 6.661 149 H LYS 16 H LYS 16 -11.618 9.862 6.078 150 HA LYS 16 HA LYS 16 -10.844 12.601 6.349 151 HB2 LYS 16 HB2 LYS 16 -9.909 10.057 7.674 152 HB3 LYS 16 HB3 LYS 16 -9.218 11.629 8.052 153 HG2 LYS 16 HG2 LYS 16 -11.240 12.419 8.957 154 HG3 LYS 16 HG3 LYS 16 -12.161 11.083 8.262 155 HD2 LYS 16 HD2 LYS 16 -11.036 9.515 9.742 156 HD3 LYS 16 HD3 LYS 16 -10.051 10.819 10.404 157 HE2 LYS 16 HE2 LYS 16 -12.149 11.928 11.160 158 HE3 LYS 16 HE3 LYS 16 -13.041 10.504 10.627 159 HZ1 LYS 16 HZ1 LYS 16 -12.330 9.296 12.372 160 HZ2 LYS 16 HZ2 LYS 16 -12.125 10.811 13.097 161 HZ3 LYS 16 HZ3 LYS 16 -10.799 10.014 12.411 162 H ILE 17 H ILE 17 -9.302 9.687 5.071 163 HA ILE 17 HA ILE 17 -6.749 10.816 4.650 164 HB ILE 17 HB ILE 17 -8.050 8.568 3.104 165 HG12 ILE 17 HG12 ILE 17 -6.259 8.429 5.538 166 HG13 ILE 17 HG13 ILE 17 -8.007 8.222 5.575 167 HG21 ILE 17 HG21 ILE 17 -5.788 7.869 2.579 168 HG22 ILE 17 HG22 ILE 17 -5.132 9.226 3.496 169 HG23 ILE 17 HG23 ILE 17 -6.057 9.521 2.024 170 HD11 ILE 17 HD11 ILE 17 -7.283 6.051 5.541 171 HD12 ILE 17 HD12 ILE 17 -5.905 6.410 4.501 172 HD13 ILE 17 HD13 ILE 17 -7.531 6.353 3.822 173 H GLY 18 H GLY 18 -9.507 10.357 2.440 174 HA2 GLY 18 HA2 GLY 18 -8.359 11.494 0.160 175 HA3 GLY 18 HA3 GLY 18 -10.083 11.437 0.498 176 H THR 19 H THR 19 -9.642 12.999 3.011 177 HA THR 19 HA THR 19 -9.924 15.603 1.817 178 HB THR 19 HB THR 19 -9.920 16.053 4.513 179 HG1 THR 19 HG1 THR 19 -9.779 14.079 5.305 180 HG21 THR 19 HG21 THR 19 -12.342 15.867 4.457 181 HG22 THR 19 HG22 THR 19 -12.247 15.004 2.922 182 HG23 THR 19 HG23 THR 19 -11.730 16.687 3.021 183 H VAL 20 H VAL 20 -7.511 13.894 3.712 184 HA VAL 20 HA VAL 20 -5.887 16.234 4.135 185 HB VAL 20 HB VAL 20 -5.084 13.347 4.497 186 HG11 VAL 20 HG11 VAL 20 -3.930 15.973 5.344 187 HG12 VAL 20 HG12 VAL 20 -3.132 14.586 4.604 188 HG13 VAL 20 HG13 VAL 20 -3.630 14.518 6.294 189 HG21 VAL 20 HG21 VAL 20 -6.104 13.256 6.519 190 HG22 VAL 20 HG22 VAL 20 -7.189 14.424 5.763 191 HG23 VAL 20 HG23 VAL 20 -5.895 14.981 6.824 192 H VAL 21 H VAL 21 -6.004 13.599 1.823 193 HA VAL 21 HA VAL 21 -3.487 13.678 0.715 194 HB VAL 21 HB VAL 21 -6.048 13.414 -0.865 195 HG11 VAL 21 HG11 VAL 21 -4.562 11.913 -2.275 196 HG12 VAL 21 HG12 VAL 21 -3.199 12.625 -1.412 197 HG13 VAL 21 HG13 VAL 21 -4.260 13.647 -2.382 198 HG21 VAL 21 HG21 VAL 21 -4.872 11.707 1.157 199 HG22 VAL 21 HG22 VAL 21 -5.021 10.880 -0.394 200 HG23 VAL 21 HG23 VAL 21 -6.441 11.596 0.361 201 H ARG 22 H ARG 22 -6.190 15.876 0.137 202 HA ARG 22 HA ARG 22 -5.282 17.288 -2.046 203 HB2 ARG 22 HB2 ARG 22 -7.051 17.872 0.242 204 HB3 ARG 22 HB3 ARG 22 -6.387 19.285 -0.565 205 HG2 ARG 22 HG2 ARG 22 -8.037 19.101 -2.030 206 HG3 ARG 22 HG3 ARG 22 -7.237 17.653 -2.640 207 HD2 ARG 22 HD2 ARG 22 -8.499 16.315 -0.978 208 HD3 ARG 22 HD3 ARG 22 -9.356 17.779 -0.497 209 HE ARG 22 HE ARG 22 -9.835 16.182 -2.827 210 HH11 ARG 22 HH11 ARG 22 -10.090 19.396 -1.491 211 HH12 ARG 22 HH12 ARG 22 -11.377 19.868 -2.548 212 HH21 ARG 22 HH21 ARG 22 -11.529 16.801 -4.217 213 HH22 ARG 22 HH22 ARG 22 -12.195 18.395 -4.095 214 H VAL 23 H VAL 23 -4.111 17.354 1.226 215 HA VAL 23 HA VAL 23 -2.579 19.769 0.900 216 HB VAL 23 HB VAL 23 -2.312 17.678 3.062 217 HG11 VAL 23 HG11 VAL 23 -1.686 20.605 3.272 218 HG12 VAL 23 HG12 VAL 23 -0.492 19.442 2.696 219 HG13 VAL 23 HG13 VAL 23 -1.167 19.286 4.319 220 HG21 VAL 23 HG21 VAL 23 -4.572 18.349 3.132 221 HG22 VAL 23 HG22 VAL 23 -4.162 20.035 2.818 222 HG23 VAL 23 HG23 VAL 23 -3.755 19.303 4.371 223 H LEU 24 H LEU 24 -2.023 16.316 0.622 224 HA LEU 24 HA LEU 24 0.570 16.875 -0.595 225 HB2 LEU 24 HB2 LEU 24 0.218 15.654 2.002 226 HB3 LEU 24 HB3 LEU 24 1.045 14.573 0.900 227 HG LEU 24 HG LEU 24 1.900 17.356 1.661 228 HD11 LEU 24 HD11 LEU 24 2.469 14.736 2.716 229 HD12 LEU 24 HD12 LEU 24 2.916 16.323 3.340 230 HD13 LEU 24 HD13 LEU 24 3.937 15.527 2.143 231 HD21 LEU 24 HD21 LEU 24 3.007 17.458 -0.254 232 HD22 LEU 24 HD22 LEU 24 2.481 15.834 -0.695 233 HD23 LEU 24 HD23 LEU 24 3.946 16.057 0.260 234 HA PRO 25 HA PRO 25 -1.946 13.672 -2.851 235 HB2 PRO 25 HB2 PRO 25 -1.676 14.825 -5.297 236 HB3 PRO 25 HB3 PRO 25 -2.982 15.241 -4.180 237 HG2 PRO 25 HG2 PRO 25 -0.415 16.683 -4.718 238 HG3 PRO 25 HG3 PRO 25 -2.046 17.343 -4.501 239 HD2 PRO 25 HD2 PRO 25 -0.189 17.361 -2.529 240 HD3 PRO 25 HD3 PRO 25 -1.928 17.219 -2.204 241 H SER 26 H SER 26 1.190 15.027 -2.929 242 HA SER 26 HA SER 26 2.203 13.033 -4.807 243 HB2 SER 26 HB2 SER 26 4.371 14.301 -4.516 244 HB3 SER 26 HB3 SER 26 3.049 15.237 -5.214 245 HG SER 26 HG SER 26 4.034 16.447 -3.604 246 H SER 27 H SER 27 2.529 14.051 -1.415 247 HA SER 27 HA SER 27 4.571 12.264 -0.697 248 HB2 SER 27 HB2 SER 27 3.708 14.167 0.703 249 HB3 SER 27 HB3 SER 27 2.315 13.162 1.101 250 HG SER 27 HG SER 27 3.794 12.846 2.705 251 H LEU 28 H LEU 28 1.057 11.870 -0.738 252 HA LEU 28 HA LEU 28 0.848 9.396 0.493 253 HB2 LEU 28 HB2 LEU 28 -0.913 11.089 -0.627 254 HB3 LEU 28 HB3 LEU 28 -0.867 9.859 -1.876 255 HG LEU 28 HG LEU 28 -1.708 9.535 0.997 256 HD11 LEU 28 HD11 LEU 28 -3.193 10.336 -1.057 257 HD12 LEU 28 HD12 LEU 28 -3.824 9.292 0.217 258 HD13 LEU 28 HD13 LEU 28 -3.299 8.595 -1.316 259 HD21 LEU 28 HD21 LEU 28 -0.306 7.629 0.374 260 HD22 LEU 28 HD22 LEU 28 -1.292 7.373 -1.065 261 HD23 LEU 28 HD23 LEU 28 -1.996 7.157 0.537 262 H GLU 29 H GLU 29 1.799 10.182 -2.788 263 HA GLU 29 HA GLU 29 1.599 7.647 -3.944 264 HB2 GLU 29 HB2 GLU 29 2.507 10.165 -4.731 265 HB3 GLU 29 HB3 GLU 29 3.909 9.118 -4.908 266 HG2 GLU 29 HG2 GLU 29 2.190 7.549 -6.112 267 HG3 GLU 29 HG3 GLU 29 1.299 9.054 -6.330 268 H ILE 30 H ILE 30 3.944 8.961 -1.743 269 HA ILE 30 HA ILE 30 5.993 7.038 -2.249 270 HB ILE 30 HB ILE 30 5.592 8.659 0.265 271 HG12 ILE 30 HG12 ILE 30 7.259 9.410 -2.140 272 HG13 ILE 30 HG13 ILE 30 5.624 10.010 -1.877 273 HG21 ILE 30 HG21 ILE 30 7.359 6.641 -0.206 274 HG22 ILE 30 HG22 ILE 30 7.610 7.958 0.940 275 HG23 ILE 30 HG23 ILE 30 8.298 8.058 -0.681 276 HD11 ILE 30 HD11 ILE 30 7.050 11.694 -1.098 277 HD12 ILE 30 HD12 ILE 30 8.089 10.545 -0.259 278 HD13 ILE 30 HD13 ILE 30 6.469 10.877 0.351 279 H PHE 31 H PHE 31 3.572 7.402 0.341 280 HA PHE 31 HA PHE 31 4.251 5.092 1.767 281 HB2 PHE 31 HB2 PHE 31 1.501 6.329 1.537 282 HB3 PHE 31 HB3 PHE 31 2.085 5.299 2.839 283 HD1 PHE 31 HD1 PHE 31 4.538 6.285 3.708 284 HD2 PHE 31 HD2 PHE 31 1.246 8.506 2.181 285 HE1 PHE 31 HE1 PHE 31 5.316 8.272 4.932 286 HE2 PHE 31 HE2 PHE 31 2.020 10.500 3.398 287 HZ PHE 31 HZ PHE 31 4.057 10.383 4.779 288 H GLU 32 H GLU 32 2.202 5.562 -1.040 289 HA GLU 32 HA GLU 32 0.848 3.126 -1.064 290 HB2 GLU 32 HB2 GLU 32 0.639 5.221 -2.609 291 HB3 GLU 32 HB3 GLU 32 1.823 4.387 -3.605 292 HG2 GLU 32 HG2 GLU 32 -0.618 2.926 -2.731 293 HG3 GLU 32 HG3 GLU 32 -0.737 4.105 -4.036 294 H GLU 33 H GLU 33 3.949 3.985 -2.586 295 HA GLU 33 HA GLU 33 4.493 1.461 -3.685 296 HB2 GLU 33 HB2 GLU 33 5.681 3.601 -4.239 297 HB3 GLU 33 HB3 GLU 33 6.526 3.472 -2.703 298 HG2 GLU 33 HG2 GLU 33 6.716 1.048 -4.294 299 HG3 GLU 33 HG3 GLU 33 7.366 2.465 -5.119 300 H LEU 34 H LEU 34 5.277 2.857 -0.536 301 HA LEU 34 HA LEU 34 6.857 0.708 0.398 302 HB2 LEU 34 HB2 LEU 34 5.688 3.146 1.479 303 HB3 LEU 34 HB3 LEU 34 5.687 1.839 2.647 304 HG LEU 34 HG LEU 34 8.121 2.871 1.187 305 HD11 LEU 34 HD11 LEU 34 8.780 3.761 3.362 306 HD12 LEU 34 HD12 LEU 34 7.251 3.216 4.053 307 HD13 LEU 34 HD13 LEU 34 7.262 4.472 2.813 308 HD21 LEU 34 HD21 LEU 34 8.385 1.186 3.586 309 HD22 LEU 34 HD22 LEU 34 9.335 1.209 2.101 310 HD23 LEU 34 HD23 LEU 34 7.788 0.366 2.145 311 H TYR 35 H TYR 35 3.428 1.507 0.814 312 HA TYR 35 HA TYR 35 2.801 -0.738 2.414 313 HB2 TYR 35 HB2 TYR 35 1.095 0.725 2.664 314 HB3 TYR 35 HB3 TYR 35 1.351 1.440 1.080 315 HD1 TYR 35 HD1 TYR 35 0.235 -1.910 2.341 316 HD2 TYR 35 HD2 TYR 35 -0.528 1.390 -0.236 317 HE1 TYR 35 HE1 TYR 35 -1.792 -3.031 1.514 318 HE2 TYR 35 HE2 TYR 35 -2.558 0.279 -1.067 319 HH TYR 35 HH TYR 35 -3.506 -1.938 -1.238 320 H LYS 36 H LYS 36 2.853 -0.189 -1.056 321 HA LYS 36 HA LYS 36 1.608 -2.712 -1.677 322 HB2 LYS 36 HB2 LYS 36 1.771 -0.431 -3.057 323 HB3 LYS 36 HB3 LYS 36 3.185 -1.237 -3.723 324 HG2 LYS 36 HG2 LYS 36 1.693 -2.034 -5.200 325 HG3 LYS 36 HG3 LYS 36 1.385 -3.221 -3.931 326 HD2 LYS 36 HD2 LYS 36 -0.440 -1.780 -3.084 327 HD3 LYS 36 HD3 LYS 36 -0.161 -0.679 -4.433 328 HE2 LYS 36 HE2 LYS 36 -0.494 -2.787 -5.900 329 HE3 LYS 36 HE3 LYS 36 -1.251 -3.466 -4.459 330 HZ1 LYS 36 HZ1 LYS 36 -2.074 -0.891 -5.680 331 HZ2 LYS 36 HZ2 LYS 36 -2.877 -1.757 -4.468 332 HZ3 LYS 36 HZ3 LYS 36 -2.807 -2.371 -6.042 333 H TYR 37 H TYR 37 4.858 -1.456 -1.383 334 HA TYR 37 HA TYR 37 6.206 -3.589 -2.665 335 HB2 TYR 37 HB2 TYR 37 7.381 -1.532 -2.353 336 HB3 TYR 37 HB3 TYR 37 7.093 -1.554 -0.618 337 HD1 TYR 37 HD1 TYR 37 8.259 -3.307 0.778 338 HD2 TYR 37 HD2 TYR 37 9.289 -2.564 -3.283 339 HE1 TYR 37 HE1 TYR 37 10.417 -4.428 1.129 340 HE2 TYR 37 HE2 TYR 37 11.452 -3.686 -2.944 341 HH TYR 37 HH TYR 37 12.154 -5.703 -0.741 342 H ALA 38 H ALA 38 5.531 -2.929 0.765 343 HA ALA 38 HA ALA 38 6.778 -5.172 1.845 344 HB1 ALA 38 HB1 ALA 38 4.705 -3.274 2.746 345 HB2 ALA 38 HB2 ALA 38 6.212 -3.766 3.519 346 HB3 ALA 38 HB3 ALA 38 4.793 -4.809 3.609 347 H LEU 39 H LEU 39 3.859 -4.944 0.033 348 HA LEU 39 HA LEU 39 2.628 -7.322 1.028 349 HB2 LEU 39 HB2 LEU 39 2.200 -5.656 -1.443 350 HB3 LEU 39 HB3 LEU 39 1.278 -7.113 -1.126 351 HG LEU 39 HG LEU 39 1.342 -4.688 0.670 352 HD11 LEU 39 HD11 LEU 39 0.210 -4.149 -1.383 353 HD12 LEU 39 HD12 LEU 39 -0.988 -4.374 -0.107 354 HD13 LEU 39 HD13 LEU 39 -0.725 -5.643 -1.305 355 HD21 LEU 39 HD21 LEU 39 0.739 -6.289 2.154 356 HD22 LEU 39 HD22 LEU 39 0.179 -7.397 0.901 357 HD23 LEU 39 HD23 LEU 39 -0.839 -6.049 1.404 358 H ASN 40 H ASN 40 4.983 -6.605 -1.436 359 HA ASN 40 HA ASN 40 4.756 -9.161 -2.738 360 HB2 ASN 40 HB2 ASN 40 5.586 -6.884 -3.717 361 HB3 ASN 40 HB3 ASN 40 7.136 -7.365 -3.035 362 HD21 ASN 40 HD21 ASN 40 8.322 -7.929 -4.726 363 HD22 ASN 40 HD22 ASN 40 7.867 -9.083 -5.930 364 H GLU 41 H GLU 41 6.965 -7.650 -0.437 365 HA GLU 41 HA GLU 41 8.770 -9.851 -0.331 366 HB2 GLU 41 HB2 GLU 41 9.758 -8.715 1.579 367 HB3 GLU 41 HB3 GLU 41 9.435 -7.565 0.290 368 HG2 GLU 41 HG2 GLU 41 8.615 -6.354 2.002 369 HG3 GLU 41 HG3 GLU 41 7.166 -7.295 1.657 370 H ASN 42 H ASN 42 5.801 -9.060 1.297 371 HA ASN 42 HA ASN 42 6.039 -10.672 3.571 372 HB2 ASN 42 HB2 ASN 42 4.079 -9.041 2.481 373 HB3 ASN 42 HB3 ASN 42 3.342 -10.640 2.456 374 HD21 ASN 42 HD21 ASN 42 4.133 -7.953 4.332 375 HD22 ASN 42 HD22 ASN 42 3.691 -8.591 5.876 376 H SER 43 H SER 43 5.238 -11.455 0.257 377 HA SER 43 HA SER 43 5.210 -14.302 1.003 378 HB2 SER 43 HB2 SER 43 3.545 -14.659 -0.846 379 HB3 SER 43 HB3 SER 43 2.921 -13.730 0.516 380 HG SER 43 HG SER 43 4.017 -12.500 -1.783 381 H ASN 44 H ASN 44 5.264 -15.571 -1.295 382 HA ASN 44 HA ASN 44 7.248 -14.328 -3.044 383 HB2 ASN 44 HB2 ASN 44 8.147 -15.933 -1.063 384 HB3 ASN 44 HB3 ASN 44 7.836 -17.136 -2.310 385 HD21 ASN 44 HD21 ASN 44 9.082 -13.813 -2.343 386 HD22 ASN 44 HD22 ASN 44 10.529 -14.185 -3.210 387 H ASP 45 H ASP 45 6.434 -14.493 -5.018 388 HA ASP 45 HA ASP 45 5.337 -17.064 -5.891 389 HB2 ASP 45 HB2 ASP 45 3.958 -14.391 -6.209 390 HB3 ASP 45 HB3 ASP 45 3.492 -15.848 -7.084 391 H ARG 46 H ARG 46 7.865 -15.714 -6.361 392 HA ARG 46 HA ARG 46 7.661 -15.359 -9.278 393 HB2 ARG 46 HB2 ARG 46 8.749 -13.584 -7.296 394 HB3 ARG 46 HB3 ARG 46 10.030 -14.102 -8.384 395 HG2 ARG 46 HG2 ARG 46 7.557 -13.329 -9.739 396 HG3 ARG 46 HG3 ARG 46 8.325 -12.027 -8.829 397 HD2 ARG 46 HD2 ARG 46 10.195 -12.021 -10.145 398 HD3 ARG 46 HD3 ARG 46 10.044 -13.730 -10.554 399 HE ARG 46 HE ARG 46 9.009 -11.530 -12.026 400 HH11 ARG 46 HH11 ARG 46 8.325 -14.835 -11.140 401 HH12 ARG 46 HH12 ARG 46 7.363 -15.145 -12.547 402 HH21 ARG 46 HH21 ARG 46 7.744 -11.935 -13.876 403 HH22 ARG 46 HH22 ARG 46 7.034 -13.499 -14.100 404 H SER 47 H SER 47 8.377 -17.214 -10.123 405 HA SER 47 HA SER 47 11.082 -18.069 -9.476 406 HB2 SER 47 HB2 SER 47 8.992 -19.364 -8.249 407 HB3 SER 47 HB3 SER 47 9.255 -20.360 -9.680 408 HG SER 47 HG SER 47 10.934 -19.877 -7.504 409 H GLU 48 H GLU 48 11.628 -17.376 -11.554 410 HA GLU 48 HA GLU 48 10.339 -18.752 -13.797 411 HB2 GLU 48 HB2 GLU 48 11.577 -16.146 -13.431 412 HB3 GLU 48 HB3 GLU 48 12.220 -16.980 -14.839 413 HG2 GLU 48 HG2 GLU 48 9.272 -16.861 -14.442 414 HG3 GLU 48 HG3 GLU 48 10.126 -15.438 -15.037 415 H HIS 49 H HIS 49 11.808 -19.459 -15.588 416 HA HIS 49 HA HIS 49 13.874 -21.145 -14.484 417 HB2 HIS 49 HB2 HIS 49 12.444 -20.927 -17.082 418 HB3 HIS 49 HB3 HIS 49 14.050 -21.644 -17.109 419 HD1 HIS 49 HD1 HIS 49 14.312 -23.985 -16.145 420 HD2 HIS 49 HD2 HIS 49 10.500 -22.412 -15.638 421 HE1 HIS 49 HE1 HIS 49 12.890 -25.906 -15.359 422 HE2 HIS 49 HE2 HIS 49 10.571 -24.949 -15.141 423 H HIS 50 H HIS 50 16.037 -21.267 -15.393 424 HA HIS 50 HA HIS 50 17.076 -18.592 -15.973 425 HB2 HIS 50 HB2 HIS 50 19.315 -19.744 -15.485 426 HB3 HIS 50 HB3 HIS 50 18.213 -19.518 -14.132 427 HD1 HIS 50 HD1 HIS 50 17.667 -22.311 -16.563 428 HD2 HIS 50 HD2 HIS 50 19.240 -21.726 -12.762 429 HE1 HIS 50 HE1 HIS 50 17.972 -24.614 -15.600 430 HE2 HIS 50 HE2 HIS 50 19.005 -24.237 -13.333 431 H LYS 51 H LYS 51 15.765 -19.838 -18.085 432 HA LYS 51 HA LYS 51 17.737 -21.074 -19.803 433 HB2 LYS 51 HB2 LYS 51 15.935 -21.225 -21.434 434 HB3 LYS 51 HB3 LYS 51 15.389 -21.807 -19.867 435 HG2 LYS 51 HG2 LYS 51 13.857 -20.178 -19.646 436 HG3 LYS 51 HG3 LYS 51 14.894 -18.957 -20.387 437 HD2 LYS 51 HD2 LYS 51 14.080 -19.338 -22.461 438 HD3 LYS 51 HD3 LYS 51 13.927 -21.076 -22.193 439 HE2 LYS 51 HE2 LYS 51 11.798 -20.910 -21.467 440 HE3 LYS 51 HE3 LYS 51 12.095 -19.387 -20.628 441 HZ1 LYS 51 HZ1 LYS 51 11.688 -19.729 -23.550 442 HZ2 LYS 51 HZ2 LYS 51 12.050 -18.263 -22.788 443 HZ3 LYS 51 HZ3 LYS 51 10.589 -19.048 -22.460 444 H LYS 52 H LYS 52 18.408 -20.223 -21.834 445 HA LYS 52 HA LYS 52 18.008 -17.352 -22.237 446 HB2 LYS 52 HB2 LYS 52 20.728 -18.670 -22.164 447 HB3 LYS 52 HB3 LYS 52 20.414 -16.992 -22.586 448 HG2 LYS 52 HG2 LYS 52 19.212 -17.413 -20.080 449 HG3 LYS 52 HG3 LYS 52 20.804 -18.171 -20.009 450 HD2 LYS 52 HD2 LYS 52 21.891 -16.197 -20.130 451 HD3 LYS 52 HD3 LYS 52 20.734 -15.516 -21.276 452 HE2 LYS 52 HE2 LYS 52 19.415 -14.657 -19.643 453 HE3 LYS 52 HE3 LYS 52 19.759 -15.973 -18.522 454 HZ1 LYS 52 HZ1 LYS 52 20.692 -13.593 -18.099 455 HZ2 LYS 52 HZ2 LYS 52 21.902 -14.079 -19.180 456 HZ3 LYS 52 HZ3 LYS 52 21.640 -14.952 -17.755 457 HA PRO 53 HA PRO 53 17.671 -18.708 -26.442 458 HB2 PRO 53 HB2 PRO 53 17.823 -16.331 -27.704 459 HB3 PRO 53 HB3 PRO 53 16.415 -16.795 -26.742 460 HG2 PRO 53 HG2 PRO 53 18.716 -15.028 -26.004 461 HG3 PRO 53 HG3 PRO 53 16.984 -14.798 -25.695 462 HD2 PRO 53 HD2 PRO 53 18.727 -15.741 -23.822 463 HD3 PRO 53 HD3 PRO 53 17.005 -16.169 -23.852 464 H ARG 54 H ARG 54 19.386 -19.849 -27.168 465 HA ARG 54 HA ARG 54 21.851 -18.376 -27.816 466 HB2 ARG 54 HB2 ARG 54 21.569 -20.609 -26.229 467 HB3 ARG 54 HB3 ARG 54 22.043 -21.298 -27.776 468 HG2 ARG 54 HG2 ARG 54 24.110 -20.948 -26.953 469 HG3 ARG 54 HG3 ARG 54 23.848 -19.332 -27.614 470 HD2 ARG 54 HD2 ARG 54 24.651 -19.003 -25.423 471 HD3 ARG 54 HD3 ARG 54 22.915 -18.707 -25.343 472 HE ARG 54 HE ARG 54 22.697 -20.530 -23.971 473 HH11 ARG 54 HH11 ARG 54 25.854 -20.598 -25.459 474 HH12 ARG 54 HH12 ARG 54 26.427 -21.902 -24.474 475 HH21 ARG 54 HH21 ARG 54 23.451 -22.244 -22.674 476 HH22 ARG 54 HH22 ARG 54 25.063 -22.836 -22.893 477 H ILE 55 H ILE 55 22.254 -18.077 -29.898 478 HA ILE 55 HA ILE 55 20.946 -19.847 -31.852 479 HB ILE 55 HB ILE 55 22.028 -17.085 -32.383 480 HG12 ILE 55 HG12 ILE 55 19.387 -16.704 -32.509 481 HG13 ILE 55 HG13 ILE 55 19.400 -18.000 -31.315 482 HG21 ILE 55 HG21 ILE 55 19.919 -18.427 -34.000 483 HG22 ILE 55 HG22 ILE 55 21.599 -18.920 -34.209 484 HG23 ILE 55 HG23 ILE 55 21.129 -17.242 -34.485 485 HD11 ILE 55 HD11 ILE 55 20.808 -16.699 -29.860 486 HD12 ILE 55 HD12 ILE 55 19.388 -15.755 -30.312 487 HD13 ILE 55 HD13 ILE 55 20.945 -15.428 -31.076 488 H ASP 56 H ASP 56 23.940 -18.069 -31.224 489 HA ASP 56 HA ASP 56 26.101 -18.443 -31.830 490 HB2 ASP 56 HB2 ASP 56 24.932 -21.195 -31.891 491 HB3 ASP 56 HB3 ASP 56 26.561 -20.947 -32.511 492 H ASP 57 H ASP 57 26.821 -17.511 -33.618 493 HA ASP 57 HA ASP 57 25.587 -18.007 -36.175 494 HB2 ASP 57 HB2 ASP 57 26.979 -15.874 -35.022 495 HB3 ASP 57 HB3 ASP 57 28.037 -16.457 -36.302 496 H SER 58 H SER 58 28.541 -18.889 -34.525 497 HA SER 58 HA SER 58 29.209 -20.645 -36.786 498 HB2 SER 58 HB2 SER 58 30.696 -18.589 -36.658 499 HB3 SER 58 HB3 SER 58 31.298 -19.227 -35.127 500 HG SER 58 HG SER 58 31.770 -20.078 -37.716 501 H SER 59 H SER 59 28.491 -22.513 -35.856 502 HA SER 59 HA SER 59 29.419 -23.196 -33.168 503 HB2 SER 59 HB2 SER 59 26.982 -23.525 -34.178 504 HB3 SER 59 HB3 SER 59 27.685 -25.035 -34.755 505 HG SER 59 HG SER 59 26.655 -24.980 -32.570 506 H ASP 60 H ASP 60 30.743 -24.913 -32.722 507 HA ASP 60 HA ASP 60 31.974 -26.237 -35.051 508 HB2 ASP 60 HB2 ASP 60 33.147 -25.001 -32.625 509 HB3 ASP 60 HB3 ASP 60 33.877 -26.512 -33.159 510 H LEU 61 H LEU 61 32.238 -28.424 -35.015 511 HA LEU 61 HA LEU 61 30.979 -29.836 -32.762 512 HB2 LEU 61 HB2 LEU 61 30.161 -29.991 -35.248 513 HB3 LEU 61 HB3 LEU 61 31.502 -31.108 -35.418 514 HG LEU 61 HG LEU 61 29.494 -31.516 -33.234 515 HD11 LEU 61 HD11 LEU 61 27.973 -32.588 -34.600 516 HD12 LEU 61 HD12 LEU 61 29.132 -32.782 -35.915 517 HD13 LEU 61 HD13 LEU 61 28.434 -31.197 -35.580 518 HD21 LEU 61 HD21 LEU 61 31.611 -33.063 -34.601 519 HD22 LEU 61 HD22 LEU 61 30.162 -33.945 -34.123 520 HD23 LEU 61 HD23 LEU 61 31.104 -33.076 -32.912 521 H LEU 62 H LEU 62 33.885 -29.543 -34.650 522 HA LEU 62 HA LEU 62 35.980 -30.381 -34.379 523 HB2 LEU 62 HB2 LEU 62 34.826 -30.343 -31.744 524 HB3 LEU 62 HB3 LEU 62 35.891 -31.727 -31.903 525 HG LEU 62 HG LEU 62 36.671 -28.859 -32.435 526 HD11 LEU 62 HD11 LEU 62 37.188 -30.694 -30.106 527 HD12 LEU 62 HD12 LEU 62 36.355 -29.140 -30.094 528 HD13 LEU 62 HD13 LEU 62 38.089 -29.206 -30.402 529 HD21 LEU 62 HD21 LEU 62 38.176 -29.941 -33.741 530 HD22 LEU 62 HD22 LEU 62 38.011 -31.462 -32.864 531 HD23 LEU 62 HD23 LEU 62 38.988 -30.158 -32.191 532 H LYS 63 H LYS 63 37.116 -32.264 -34.794 533 HA LYS 63 HA LYS 63 37.477 -34.435 -35.370 534 HB2 LYS 63 HB2 LYS 63 35.595 -34.606 -33.174 535 HB3 LYS 63 HB3 LYS 63 35.335 -35.907 -34.328 536 HG2 LYS 63 HG2 LYS 63 37.999 -35.245 -33.094 537 HG3 LYS 63 HG3 LYS 63 36.893 -36.481 -32.488 538 HD2 LYS 63 HD2 LYS 63 37.095 -37.751 -34.496 539 HD3 LYS 63 HD3 LYS 63 37.968 -36.447 -35.302 540 HE2 LYS 63 HE2 LYS 63 39.186 -37.380 -32.801 541 HE3 LYS 63 HE3 LYS 63 39.133 -38.586 -34.086 542 HZ1 LYS 63 HZ1 LYS 63 41.072 -36.790 -33.843 543 HZ2 LYS 63 HZ2 LYS 63 40.029 -35.934 -34.865 544 HZ3 LYS 63 HZ3 LYS 63 40.609 -37.454 -35.328 545 H THR 64 H THR 64 33.918 -34.214 -35.245 546 HA THR 64 HA THR 64 32.329 -34.818 -36.770 547 HB THR 64 HB THR 64 33.042 -32.566 -37.540 548 HG1 THR 64 HG1 THR 64 32.135 -32.802 -39.632 549 HG21 THR 64 HG21 THR 64 34.308 -32.487 -39.710 550 HG22 THR 64 HG22 THR 64 34.831 -34.135 -39.366 551 HG23 THR 64 HG23 THR 64 35.265 -32.826 -38.268 552 H ASP 65 H ASP 65 32.342 -35.415 -39.444 553 HA ASP 65 HA ASP 65 33.935 -37.893 -39.513 554 HB2 ASP 65 HB2 ASP 65 31.148 -37.259 -40.389 555 HB3 ASP 65 HB3 ASP 65 32.047 -38.498 -41.261 556 H GLU 66 H GLU 66 34.275 -38.700 -41.829 557 HA GLU 66 HA GLU 66 35.311 -38.432 -43.834 558 HB2 GLU 66 HB2 GLU 66 33.740 -35.847 -43.915 559 HB3 GLU 66 HB3 GLU 66 34.521 -36.616 -45.290 560 HG2 GLU 66 HG2 GLU 66 32.671 -38.358 -43.847 561 HG3 GLU 66 HG3 GLU 66 31.916 -36.938 -44.570 562 H ILE 67 H ILE 67 37.095 -38.032 -42.066 563 HA ILE 67 HA ILE 67 38.562 -35.655 -42.951 564 HB ILE 67 HB ILE 67 39.401 -35.319 -40.616 565 HG12 ILE 67 HG12 ILE 67 37.536 -36.224 -38.929 566 HG13 ILE 67 HG13 ILE 67 37.424 -37.496 -40.141 567 HG21 ILE 67 HG21 ILE 67 36.668 -34.758 -41.571 568 HG22 ILE 67 HG22 ILE 67 37.945 -33.653 -41.061 569 HG23 ILE 67 HG23 ILE 67 36.965 -34.486 -39.854 570 HD11 ILE 67 HD11 ILE 67 39.042 -38.457 -38.940 571 HD12 ILE 67 HD12 ILE 67 39.517 -36.940 -38.175 572 HD13 ILE 67 HD13 ILE 67 40.107 -37.337 -39.790 573 H1 GLY 68 H1 GLY 68 5.516 12.300 25.346 574 H2 GLY 68 H2 GLY 68 4.429 13.539 24.964 575 H3 GLY 68 H3 GLY 68 4.496 12.929 26.541 576 HA2 GLY 68 HA2 GLY 68 5.789 14.697 26.945 577 HA3 GLY 68 HA3 GLY 68 7.030 13.674 26.238 578 H HIS 69 H HIS 69 8.137 15.614 25.626 579 HA HIS 69 HA HIS 69 6.980 17.530 23.883 580 HB2 HIS 69 HB2 HIS 69 9.078 17.748 25.378 581 HB3 HIS 69 HB3 HIS 69 9.933 16.973 24.049 582 HD1 HIS 69 HD1 HIS 69 8.703 18.397 21.654 583 HD2 HIS 69 HD2 HIS 69 9.839 20.341 25.146 584 HE1 HIS 69 HE1 HIS 69 9.079 20.795 20.996 585 HE2 HIS 69 HE2 HIS 69 9.854 21.932 23.107 586 H MET 70 H MET 70 6.197 16.900 21.966 587 HA MET 70 HA MET 70 6.099 16.084 19.846 588 HB2 MET 70 HB2 MET 70 8.902 16.811 20.268 589 HB3 MET 70 HB3 MET 70 8.688 15.577 19.032 590 HG2 MET 70 HG2 MET 70 7.810 17.017 17.575 591 HG3 MET 70 HG3 MET 70 6.813 17.799 18.800 592 HE1 MET 70 HE1 MET 70 7.570 20.549 17.591 593 HE2 MET 70 HE2 MET 70 8.180 21.040 19.171 594 HE3 MET 70 HE3 MET 70 6.843 19.897 19.059 595 H MET 71 H MET 71 6.818 14.174 18.421 596 HA MET 71 HA MET 71 7.238 11.812 20.135 597 HB2 MET 71 HB2 MET 71 4.935 12.385 18.792 598 HB3 MET 71 HB3 MET 71 5.780 11.401 17.608 599 HG2 MET 71 HG2 MET 71 5.684 9.518 18.892 600 HG3 MET 71 HG3 MET 71 5.637 10.421 20.406 601 HE1 MET 71 HE1 MET 71 3.598 11.761 21.228 602 HE2 MET 71 HE2 MET 71 1.957 11.616 20.603 603 HE3 MET 71 HE3 MET 71 3.164 12.535 19.704 604 H SER 72 H SER 72 8.856 10.493 19.589 605 HA SER 72 HA SER 72 10.547 11.180 17.369 606 HB2 SER 72 HB2 SER 72 10.756 8.823 19.258 607 HB3 SER 72 HB3 SER 72 12.029 9.441 18.206 608 HG SER 72 HG SER 72 12.154 11.272 19.441 609 H LYS 73 H LYS 73 11.479 9.159 16.117 610 HA LYS 73 HA LYS 73 9.155 7.867 14.872 611 HB2 LYS 73 HB2 LYS 73 10.855 7.393 13.014 612 HB3 LYS 73 HB3 LYS 73 10.338 9.059 13.233 613 HG2 LYS 73 HG2 LYS 73 12.380 9.592 14.390 614 HG3 LYS 73 HG3 LYS 73 12.885 7.901 14.346 615 HD2 LYS 73 HD2 LYS 73 12.881 8.014 11.869 616 HD3 LYS 73 HD3 LYS 73 12.497 9.732 11.980 617 HE2 LYS 73 HE2 LYS 73 14.599 10.298 12.578 618 HE3 LYS 73 HE3 LYS 73 14.819 8.849 13.558 619 HZ1 LYS 73 HZ1 LYS 73 15.437 9.304 10.757 620 HZ2 LYS 73 HZ2 LYS 73 14.776 7.790 11.122 621 HZ3 LYS 73 HZ3 LYS 73 16.197 8.300 11.885 622 H LEU 74 H LEU 74 10.040 5.709 13.683 623 HA LEU 74 HA LEU 74 11.900 4.085 14.980 624 HB2 LEU 74 HB2 LEU 74 9.394 4.351 16.382 625 HB3 LEU 74 HB3 LEU 74 9.631 2.690 15.873 626 HG LEU 74 HG LEU 74 11.547 4.310 17.551 627 HD11 LEU 74 HD11 LEU 74 9.234 3.232 18.397 628 HD12 LEU 74 HD12 LEU 74 10.683 3.349 19.397 629 HD13 LEU 74 HD13 LEU 74 10.303 1.841 18.567 630 HD21 LEU 74 HD21 LEU 74 13.071 2.661 17.394 631 HD22 LEU 74 HD22 LEU 74 12.255 2.324 15.867 632 HD23 LEU 74 HD23 LEU 74 11.848 1.393 17.308 633 H PHE 75 H PHE 75 8.834 4.251 13.273 634 HA PHE 75 HA PHE 75 9.174 1.656 12.058 635 HB2 PHE 75 HB2 PHE 75 7.110 2.209 10.831 636 HB3 PHE 75 HB3 PHE 75 6.927 2.452 12.565 637 HD1 PHE 75 HD1 PHE 75 7.231 4.114 9.311 638 HD2 PHE 75 HD2 PHE 75 6.577 4.636 13.484 639 HE1 PHE 75 HE1 PHE 75 6.476 6.419 8.901 640 HE2 PHE 75 HE2 PHE 75 5.820 6.941 13.080 641 HZ PHE 75 HZ PHE 75 5.768 7.836 10.786 642 H LEU 76 H LEU 76 10.768 4.437 11.546 643 HA LEU 76 HA LEU 76 10.739 4.276 8.623 644 HB2 LEU 76 HB2 LEU 76 12.045 6.286 10.459 645 HB3 LEU 76 HB3 LEU 76 12.052 6.361 8.708 646 HG LEU 76 HG LEU 76 9.557 6.483 10.403 647 HD11 LEU 76 HD11 LEU 76 9.583 8.784 10.273 648 HD12 LEU 76 HD12 LEU 76 10.698 8.801 8.907 649 HD13 LEU 76 HD13 LEU 76 11.290 8.417 10.524 650 HD21 LEU 76 HD21 LEU 76 10.112 6.556 7.477 651 HD22 LEU 76 HD22 LEU 76 8.778 7.511 8.121 652 HD23 LEU 76 HD23 LEU 76 8.805 5.765 8.359 653 H ASP 77 H ASP 77 12.737 3.620 11.395 654 HA ASP 77 HA ASP 77 15.205 3.392 9.995 655 HB2 ASP 77 HB2 ASP 77 14.217 2.798 12.724 656 HB3 ASP 77 HB3 ASP 77 15.618 1.872 12.189 657 H GLU 78 H GLU 78 12.696 1.091 10.952 658 HA GLU 78 HA GLU 78 14.041 -1.263 10.238 659 HB2 GLU 78 HB2 GLU 78 11.091 -0.614 10.294 660 HB3 GLU 78 HB3 GLU 78 11.725 -2.232 10.027 661 HG2 GLU 78 HG2 GLU 78 11.956 -2.561 12.199 662 HG3 GLU 78 HG3 GLU 78 12.921 -1.096 12.367 663 H LEU 79 H LEU 79 11.380 0.234 8.392 664 HA LEU 79 HA LEU 79 11.745 -1.164 6.037 665 HB2 LEU 79 HB2 LEU 79 10.335 0.401 5.015 666 HB3 LEU 79 HB3 LEU 79 9.861 0.421 6.700 667 HG LEU 79 HG LEU 79 11.603 2.441 6.771 668 HD11 LEU 79 HD11 LEU 79 11.118 3.780 4.640 669 HD12 LEU 79 HD12 LEU 79 10.728 2.222 3.913 670 HD13 LEU 79 HD13 LEU 79 12.342 2.514 4.563 671 HD21 LEU 79 HD21 LEU 79 9.033 2.260 7.197 672 HD22 LEU 79 HD22 LEU 79 8.918 3.036 5.618 673 HD23 LEU 79 HD23 LEU 79 9.781 3.835 6.931 674 HA PRO 80 HA PRO 80 15.210 0.208 3.677 675 HB2 PRO 80 HB2 PRO 80 13.407 1.854 1.946 676 HB3 PRO 80 HB3 PRO 80 14.674 0.712 1.481 677 HG2 PRO 80 HG2 PRO 80 12.120 0.005 1.335 678 HG3 PRO 80 HG3 PRO 80 13.342 -1.144 1.909 679 HD2 PRO 80 HD2 PRO 80 11.295 0.373 3.447 680 HD3 PRO 80 HD3 PRO 80 11.959 -1.245 3.745 681 H GLU 81 H GLU 81 16.048 1.493 5.377 682 HA GLU 81 HA GLU 81 15.342 4.064 6.075 683 HB2 GLU 81 HB2 GLU 81 16.975 2.674 7.297 684 HB3 GLU 81 HB3 GLU 81 18.138 2.918 6.000 685 HG2 GLU 81 HG2 GLU 81 18.881 4.646 7.174 686 HG3 GLU 81 HG3 GLU 81 17.409 5.483 6.679 687 H SER 82 H SER 82 17.059 2.973 3.258 688 HA SER 82 HA SER 82 18.335 5.346 2.505 689 HB2 SER 82 HB2 SER 82 18.319 2.874 1.479 690 HB3 SER 82 HB3 SER 82 17.172 3.627 0.370 691 HG SER 82 HG SER 82 19.352 3.790 -0.350 692 H LEU 83 H LEU 83 15.051 4.188 1.920 693 HA LEU 83 HA LEU 83 14.342 6.476 0.322 694 HB2 LEU 83 HB2 LEU 83 13.089 3.959 1.151 695 HB3 LEU 83 HB3 LEU 83 11.969 5.308 1.069 696 HG LEU 83 HG LEU 83 13.783 4.809 -1.248 697 HD11 LEU 83 HD11 LEU 83 11.593 3.045 -0.330 698 HD12 LEU 83 HD12 LEU 83 13.035 2.671 -1.274 699 HD13 LEU 83 HD13 LEU 83 11.647 3.436 -2.048 700 HD21 LEU 83 HD21 LEU 83 10.902 5.662 -1.175 701 HD22 LEU 83 HD22 LEU 83 12.064 5.849 -2.487 702 HD23 LEU 83 HD23 LEU 83 12.240 6.799 -1.012 703 H SER 84 H SER 84 13.927 5.424 3.650 704 HA SER 84 HA SER 84 12.029 7.198 4.567 705 HB2 SER 84 HB2 SER 84 14.464 6.039 5.916 706 HB3 SER 84 HB3 SER 84 13.310 7.057 6.780 707 HG SER 84 HG SER 84 12.192 5.303 7.013 708 H ARG 85 H ARG 85 15.321 7.829 3.655 709 HA ARG 85 HA ARG 85 15.776 10.229 5.010 710 HB2 ARG 85 HB2 ARG 85 17.244 8.702 3.335 711 HB3 ARG 85 HB3 ARG 85 16.826 10.019 2.249 712 HG2 ARG 85 HG2 ARG 85 18.144 11.500 3.317 713 HG3 ARG 85 HG3 ARG 85 17.803 10.820 4.909 714 HD2 ARG 85 HD2 ARG 85 19.501 9.373 2.898 715 HD3 ARG 85 HD3 ARG 85 20.182 10.580 3.987 716 HE ARG 85 HE ARG 85 18.862 8.921 5.662 717 HH11 ARG 85 HH11 ARG 85 21.218 8.380 3.144 718 HH12 ARG 85 HH12 ARG 85 21.888 6.974 3.900 719 HH21 ARG 85 HH21 ARG 85 19.743 7.071 6.658 720 HH22 ARG 85 HH22 ARG 85 21.049 6.230 5.895 721 H LYS 86 H LYS 86 14.212 9.602 1.900 722 HA LYS 86 HA LYS 86 13.749 12.398 1.385 723 HB2 LYS 86 HB2 LYS 86 13.049 9.835 0.008 724 HB3 LYS 86 HB3 LYS 86 12.197 11.307 -0.434 725 HG2 LYS 86 HG2 LYS 86 13.948 11.170 -1.960 726 HG3 LYS 86 HG3 LYS 86 14.510 12.337 -0.763 727 HD2 LYS 86 HD2 LYS 86 16.212 11.026 -0.127 728 HD3 LYS 86 HD3 LYS 86 15.204 9.579 -0.103 729 HE2 LYS 86 HE2 LYS 86 16.270 10.841 -2.623 730 HE3 LYS 86 HE3 LYS 86 17.088 9.539 -1.760 731 HZ1 LYS 86 HZ1 LYS 86 14.276 9.197 -2.540 732 HZ2 LYS 86 HZ2 LYS 86 15.481 8.028 -2.333 733 HZ3 LYS 86 HZ3 LYS 86 15.480 9.008 -3.712 734 H ILE 87 H ILE 87 12.003 9.736 2.809 735 HA ILE 87 HA ILE 87 9.416 10.907 2.705 736 HB ILE 87 HB ILE 87 10.400 8.883 4.715 737 HG12 ILE 87 HG12 ILE 87 9.237 8.440 1.956 738 HG13 ILE 87 HG13 ILE 87 10.901 8.123 2.438 739 HG21 ILE 87 HG21 ILE 87 8.064 10.191 4.748 740 HG22 ILE 87 HG22 ILE 87 8.242 8.523 5.291 741 HG23 ILE 87 HG23 ILE 87 7.638 8.861 3.669 742 HD11 ILE 87 HD11 ILE 87 9.061 6.753 4.172 743 HD12 ILE 87 HD12 ILE 87 10.365 6.108 3.175 744 HD13 ILE 87 HD13 ILE 87 8.761 6.349 2.482 745 H GLY 88 H GLY 88 12.049 10.991 5.046 746 HA2 GLY 88 HA2 GLY 88 10.703 12.134 7.208 747 HA3 GLY 88 HA3 GLY 88 12.416 12.325 6.875 748 H THR 89 H THR 89 12.263 13.706 4.439 749 HA THR 89 HA THR 89 11.898 16.349 5.373 750 HB THR 89 HB THR 89 13.514 15.730 3.606 751 HG1 THR 89 HG1 THR 89 11.559 17.639 2.861 752 HG21 THR 89 HG21 THR 89 11.077 14.925 2.170 753 HG22 THR 89 HG22 THR 89 12.728 14.320 2.048 754 HG23 THR 89 HG23 THR 89 12.275 15.819 1.236 755 H VAL 90 H VAL 90 9.822 14.116 3.691 756 HA VAL 90 HA VAL 90 7.911 16.114 2.887 757 HB VAL 90 HB VAL 90 7.500 13.127 3.007 758 HG11 VAL 90 HG11 VAL 90 5.418 14.144 2.691 759 HG12 VAL 90 HG12 VAL 90 5.947 13.729 1.062 760 HG13 VAL 90 HG13 VAL 90 6.086 15.390 1.637 761 HG21 VAL 90 HG21 VAL 90 7.993 13.814 0.370 762 HG22 VAL 90 HG22 VAL 90 9.094 12.965 1.455 763 HG23 VAL 90 HG23 VAL 90 9.206 14.716 1.279 764 H VAL 91 H VAL 91 8.290 13.845 5.543 765 HA VAL 91 HA VAL 91 5.718 13.954 6.623 766 HB VAL 91 HB VAL 91 8.266 13.755 8.231 767 HG11 VAL 91 HG11 VAL 91 5.403 13.033 8.724 768 HG12 VAL 91 HG12 VAL 91 6.512 13.950 9.741 769 HG13 VAL 91 HG13 VAL 91 6.704 12.204 9.577 770 HG21 VAL 91 HG21 VAL 91 7.158 11.954 6.238 771 HG22 VAL 91 HG22 VAL 91 7.333 11.186 7.815 772 HG23 VAL 91 HG23 VAL 91 8.729 11.927 7.036 773 H ARG 92 H ARG 92 8.396 16.196 6.851 774 HA ARG 92 HA ARG 92 7.590 17.726 9.030 775 HB2 ARG 92 HB2 ARG 92 9.344 18.110 6.694 776 HB3 ARG 92 HB3 ARG 92 8.718 19.595 7.396 777 HG2 ARG 92 HG2 ARG 92 9.745 19.193 9.456 778 HG3 ARG 92 HG3 ARG 92 10.017 17.489 9.086 779 HD2 ARG 92 HD2 ARG 92 11.425 18.527 7.098 780 HD3 ARG 92 HD3 ARG 92 11.523 19.896 8.205 781 HE ARG 92 HE ARG 92 12.217 17.801 9.764 782 HH11 ARG 92 HH11 ARG 92 13.335 18.925 6.654 783 HH12 ARG 92 HH12 ARG 92 14.944 18.326 6.877 784 HH21 ARG 92 HH21 ARG 92 14.334 17.014 10.058 785 HH22 ARG 92 HH22 ARG 92 15.512 17.241 8.809 786 H VAL 93 H VAL 93 6.400 17.666 5.750 787 HA VAL 93 HA VAL 93 4.907 20.116 5.997 788 HB VAL 93 HB VAL 93 4.556 17.967 3.906 789 HG11 VAL 93 HG11 VAL 93 3.502 20.681 4.320 790 HG12 VAL 93 HG12 VAL 93 2.832 19.326 3.411 791 HG13 VAL 93 HG13 VAL 93 4.083 20.339 2.691 792 HG21 VAL 93 HG21 VAL 93 6.214 18.990 2.580 793 HG22 VAL 93 HG22 VAL 93 6.930 18.828 4.184 794 HG23 VAL 93 HG23 VAL 93 6.316 20.392 3.647 795 H LEU 94 H LEU 94 4.229 16.659 6.217 796 HA LEU 94 HA LEU 94 1.621 17.319 7.397 797 HB2 LEU 94 HB2 LEU 94 2.185 15.632 5.040 798 HB3 LEU 94 HB3 LEU 94 1.052 14.966 6.199 799 HG LEU 94 HG LEU 94 -0.241 17.140 6.005 800 HD11 LEU 94 HD11 LEU 94 0.687 18.808 4.877 801 HD12 LEU 94 HD12 LEU 94 0.512 17.858 3.402 802 HD13 LEU 94 HD13 LEU 94 2.006 17.771 4.335 803 HD21 LEU 94 HD21 LEU 94 -0.860 16.408 3.479 804 HD22 LEU 94 HD22 LEU 94 -1.413 15.556 4.921 805 HD23 LEU 94 HD23 LEU 94 -0.006 14.969 4.035 806 HA PRO 95 HA PRO 95 4.093 14.377 10.039 807 HB2 PRO 95 HB2 PRO 95 3.806 15.765 12.348 808 HB3 PRO 95 HB3 PRO 95 5.108 16.087 11.198 809 HG2 PRO 95 HG2 PRO 95 2.518 17.537 11.578 810 HG3 PRO 95 HG3 PRO 95 4.142 18.198 11.317 811 HD2 PRO 95 HD2 PRO 95 2.306 17.999 9.332 812 HD3 PRO 95 HD3 PRO 95 4.051 17.856 9.041 813 H SER 96 H SER 96 0.985 15.941 10.271 814 HA SER 96 HA SER 96 -0.024 14.053 12.228 815 HB2 SER 96 HB2 SER 96 -1.038 16.531 10.925 816 HB3 SER 96 HB3 SER 96 -2.237 15.362 11.482 817 HG SER 96 HG SER 96 -1.077 15.443 13.543 818 H SER 97 H SER 97 -0.135 14.602 8.774 819 HA SER 97 HA SER 97 -2.289 12.865 8.182 820 HB2 SER 97 HB2 SER 97 -1.132 14.633 6.670 821 HB3 SER 97 HB3 SER 97 -0.002 13.334 6.289 822 HG SER 97 HG SER 97 -1.600 13.195 4.789 823 H LEU 98 H LEU 98 1.225 12.380 8.209 824 HA LEU 98 HA LEU 98 1.385 9.796 7.285 825 HB2 LEU 98 HB2 LEU 98 3.176 11.537 8.249 826 HB3 LEU 98 HB3 LEU 98 3.073 10.462 9.629 827 HG LEU 98 HG LEU 98 3.900 9.739 6.822 828 HD11 LEU 98 HD11 LEU 98 5.485 10.880 8.514 829 HD12 LEU 98 HD12 LEU 98 6.037 9.441 7.661 830 HD13 LEU 98 HD13 LEU 98 5.476 9.316 9.328 831 HD21 LEU 98 HD21 LEU 98 4.267 7.463 7.754 832 HD22 LEU 98 HD22 LEU 98 2.568 7.925 7.651 833 HD23 LEU 98 HD23 LEU 98 3.399 7.965 9.206 834 H GLU 99 H GLU 99 0.258 10.910 10.394 835 HA GLU 99 HA GLU 99 0.448 8.563 11.883 836 HB2 GLU 99 HB2 GLU 99 -0.792 11.104 12.161 837 HB3 GLU 99 HB3 GLU 99 -2.007 9.888 12.528 838 HG2 GLU 99 HG2 GLU 99 0.697 10.152 13.821 839 HG3 GLU 99 HG3 GLU 99 -0.855 10.580 14.537 840 H ILE 100 H ILE 100 -2.201 9.696 9.801 841 HA ILE 100 HA ILE 100 -3.896 7.484 10.212 842 HB ILE 100 HB ILE 100 -3.762 9.172 7.714 843 HG12 ILE 100 HG12 ILE 100 -5.825 10.088 9.399 844 HG13 ILE 100 HG13 ILE 100 -4.405 9.928 10.426 845 HG21 ILE 100 HG21 ILE 100 -5.146 7.172 7.538 846 HG22 ILE 100 HG22 ILE 100 -6.138 8.631 7.526 847 HG23 ILE 100 HG23 ILE 100 -6.032 7.648 8.986 848 HD11 ILE 100 HD11 ILE 100 -5.049 11.991 8.602 849 HD12 ILE 100 HD12 ILE 100 -3.602 11.175 8.013 850 HD13 ILE 100 HD13 ILE 100 -3.635 11.842 9.646 851 H PHE 101 H PHE 101 -1.355 8.129 7.849 852 HA PHE 101 HA PHE 101 -1.813 5.762 6.322 853 HB2 PHE 101 HB2 PHE 101 0.623 7.550 6.477 854 HB3 PHE 101 HB3 PHE 101 0.361 6.295 5.270 855 HD1 PHE 101 HD1 PHE 101 -2.312 6.601 4.379 856 HD2 PHE 101 HD2 PHE 101 0.462 9.624 5.514 857 HE1 PHE 101 HE1 PHE 101 -3.496 8.218 2.950 858 HE2 PHE 101 HE2 PHE 101 -0.717 11.245 4.089 859 HZ PHE 101 HZ PHE 101 -2.699 10.544 2.804 860 H GLU 102 H GLU 102 0.046 6.542 9.160 861 HA GLU 102 HA GLU 102 1.921 4.499 9.184 862 HB2 GLU 102 HB2 GLU 102 1.252 6.488 10.901 863 HB3 GLU 102 HB3 GLU 102 0.638 5.095 11.780 864 HG2 GLU 102 HG2 GLU 102 3.375 4.884 10.682 865 HG3 GLU 102 HG3 GLU 102 3.131 5.994 12.031 866 H GLU 103 H GLU 103 -1.439 4.467 10.297 867 HA GLU 103 HA GLU 103 -1.310 1.702 11.095 868 HB2 GLU 103 HB2 GLU 103 -3.012 3.867 11.622 869 HB3 GLU 103 HB3 GLU 103 -4.000 2.709 10.743 870 HG2 GLU 103 HG2 GLU 103 -4.312 1.653 12.661 871 HG3 GLU 103 HG3 GLU 103 -2.616 1.174 12.596 872 H LEU 104 H LEU 104 -2.051 3.466 8.224 873 HA LEU 104 HA LEU 104 -3.675 1.510 6.950 874 HB2 LEU 104 HB2 LEU 104 -3.277 4.043 6.412 875 HB3 LEU 104 HB3 LEU 104 -1.961 3.430 5.430 876 HG LEU 104 HG LEU 104 -4.898 2.823 5.110 877 HD11 LEU 104 HD11 LEU 104 -3.192 4.836 4.055 878 HD12 LEU 104 HD12 LEU 104 -4.891 4.530 3.697 879 HD13 LEU 104 HD13 LEU 104 -3.632 3.740 2.746 880 HD21 LEU 104 HD21 LEU 104 -2.471 1.542 3.911 881 HD22 LEU 104 HD22 LEU 104 -3.982 1.629 3.006 882 HD23 LEU 104 HD23 LEU 104 -3.930 0.788 4.555 883 H TYR 105 H TYR 105 -0.223 2.344 6.639 884 HA TYR 105 HA TYR 105 0.343 0.258 4.804 885 HB2 TYR 105 HB2 TYR 105 2.366 1.234 4.669 886 HB3 TYR 105 HB3 TYR 105 1.695 2.477 5.715 887 HD1 TYR 105 HD1 TYR 105 2.176 2.426 8.154 888 HD2 TYR 105 HD2 TYR 105 4.053 -0.261 5.443 889 HE1 TYR 105 HE1 TYR 105 3.891 1.927 9.845 890 HE2 TYR 105 HE2 TYR 105 5.772 -0.768 7.125 891 HH TYR 105 HH TYR 105 6.752 0.185 9.103 892 H LYS 106 H LYS 106 0.300 0.467 8.288 893 HA LYS 106 HA LYS 106 1.635 -2.055 8.682 894 HB2 LYS 106 HB2 LYS 106 1.792 -0.245 10.348 895 HB3 LYS 106 HB3 LYS 106 0.060 -0.357 10.627 896 HG2 LYS 106 HG2 LYS 106 0.327 -2.010 12.078 897 HG3 LYS 106 HG3 LYS 106 1.306 -2.934 10.938 898 HD2 LYS 106 HD2 LYS 106 2.865 -2.603 12.569 899 HD3 LYS 106 HD3 LYS 106 3.129 -1.133 11.631 900 HE2 LYS 106 HE2 LYS 106 1.496 0.012 13.158 901 HE3 LYS 106 HE3 LYS 106 1.521 -1.439 14.159 902 HZ1 LYS 106 HZ1 LYS 106 3.593 -0.997 14.910 903 HZ2 LYS 106 HZ2 LYS 106 3.139 0.597 14.570 904 HZ3 LYS 106 HZ3 LYS 106 4.099 -0.262 13.475 905 H TYR 107 H TYR 107 -1.650 -0.893 8.445 906 HA TYR 107 HA TYR 107 -3.000 -3.094 9.535 907 HB2 TYR 107 HB2 TYR 107 -4.209 -1.068 9.126 908 HB3 TYR 107 HB3 TYR 107 -3.807 -1.099 7.414 909 HD1 TYR 107 HD1 TYR 107 -4.816 -2.910 5.967 910 HD2 TYR 107 HD2 TYR 107 -6.144 -2.147 9.936 911 HE1 TYR 107 HE1 TYR 107 -6.911 -4.104 5.489 912 HE2 TYR 107 HE2 TYR 107 -8.242 -3.342 9.470 913 HH TYR 107 HH TYR 107 -9.313 -4.061 6.434 914 H ALA 108 H ALA 108 -2.119 -2.391 6.158 915 HA ALA 108 HA ALA 108 -3.178 -4.699 5.004 916 HB1 ALA 108 HB1 ALA 108 -1.138 -2.702 4.226 917 HB2 ALA 108 HB2 ALA 108 -2.599 -3.220 3.387 918 HB3 ALA 108 HB3 ALA 108 -1.152 -4.227 3.342 919 H LEU 109 H LEU 109 -0.384 -4.293 6.976 920 HA LEU 109 HA LEU 109 0.980 -6.653 6.068 921 HB2 LEU 109 HB2 LEU 109 1.359 -4.939 8.522 922 HB3 LEU 109 HB3 LEU 109 2.407 -6.273 8.079 923 HG LEU 109 HG LEU 109 1.975 -3.786 6.422 924 HD11 LEU 109 HD11 LEU 109 3.311 -2.902 8.004 925 HD12 LEU 109 HD12 LEU 109 4.575 -3.752 7.117 926 HD13 LEU 109 HD13 LEU 109 3.874 -4.476 8.563 927 HD21 LEU 109 HD21 LEU 109 3.315 -6.359 5.935 928 HD22 LEU 109 HD22 LEU 109 4.252 -4.926 5.517 929 HD23 LEU 109 HD23 LEU 109 2.663 -5.182 4.795 930 H ASN 110 H ASN 110 -1.432 -5.901 8.450 931 HA ASN 110 HA ASN 110 -1.087 -8.340 9.941 932 HB2 ASN 110 HB2 ASN 110 -2.765 -5.934 10.120 933 HB3 ASN 110 HB3 ASN 110 -3.572 -7.413 10.634 934 HD21 ASN 110 HD21 ASN 110 -0.203 -6.359 10.904 935 HD22 ASN 110 HD22 ASN 110 -0.121 -6.481 12.626 936 H GLU 111 H GLU 111 -3.123 -7.204 7.324 937 HA GLU 111 HA GLU 111 -5.082 -9.193 7.365 938 HB2 GLU 111 HB2 GLU 111 -5.556 -8.586 5.082 939 HB3 GLU 111 HB3 GLU 111 -5.179 -7.129 5.992 940 HG2 GLU 111 HG2 GLU 111 -3.494 -6.627 4.645 941 HG3 GLU 111 HG3 GLU 111 -2.810 -8.245 4.784 942 H ASN 112 H ASN 112 -1.762 -9.376 6.488 943 HA ASN 112 HA ASN 112 -1.680 -11.384 4.606 944 HB2 ASN 112 HB2 ASN 112 0.558 -11.720 5.204 945 HB3 ASN 112 HB3 ASN 112 0.249 -10.061 5.699 946 HD21 ASN 112 HD21 ASN 112 -0.918 -10.218 8.066 947 HD22 ASN 112 HD22 ASN 112 0.075 -11.042 9.215 948 H SER 113 H SER 113 -2.391 -11.624 8.018 949 HA SER 113 HA SER 113 -3.448 -14.270 7.669 950 HB2 SER 113 HB2 SER 113 -1.067 -14.804 7.969 951 HB3 SER 113 HB3 SER 113 -1.050 -13.894 9.479 952 HG SER 113 HG SER 113 -2.562 -15.386 10.310 953 H ASN 114 H ASN 114 -5.351 -13.280 8.387 954 HA ASN 114 HA ASN 114 -5.522 -11.840 10.833 955 HB2 ASN 114 HB2 ASN 114 -7.607 -13.124 9.068 956 HB3 ASN 114 HB3 ASN 114 -8.016 -12.239 10.534 957 HD21 ASN 114 HD21 ASN 114 -6.584 -10.074 10.571 958 HD22 ASN 114 HD22 ASN 114 -6.795 -9.111 9.153 959 H ASP 115 H ASP 115 -5.807 -15.210 9.958 960 HA ASP 115 HA ASP 115 -7.046 -16.096 12.354 961 HB2 ASP 115 HB2 ASP 115 -6.288 -18.350 11.636 962 HB3 ASP 115 HB3 ASP 115 -7.122 -17.471 10.358 963 H ARG 116 H ARG 116 -6.216 -16.280 14.320 964 HA ARG 116 HA ARG 116 -3.368 -15.902 14.723 965 HB2 ARG 116 HB2 ARG 116 -5.096 -14.743 16.120 966 HB3 ARG 116 HB3 ARG 116 -5.531 -16.306 16.794 967 HG2 ARG 116 HG2 ARG 116 -3.382 -16.551 17.801 968 HG3 ARG 116 HG3 ARG 116 -2.769 -15.125 16.960 969 HD2 ARG 116 HD2 ARG 116 -4.944 -14.110 18.249 970 HD3 ARG 116 HD3 ARG 116 -4.398 -15.337 19.393 971 HE ARG 116 HE ARG 116 -2.121 -14.017 18.781 972 HH11 ARG 116 HH11 ARG 116 -5.270 -12.956 19.846 973 HH12 ARG 116 HH12 ARG 116 -4.658 -11.563 20.675 974 HH21 ARG 116 HH21 ARG 116 -1.314 -12.187 19.870 975 HH22 ARG 116 HH22 ARG 116 -2.413 -11.127 20.688 976 H SER 117 H SER 117 -5.776 -18.430 15.037 977 HA SER 117 HA SER 117 -3.781 -20.468 15.006 978 HB2 SER 117 HB2 SER 117 -4.994 -19.656 17.594 979 HB3 SER 117 HB3 SER 117 -4.860 -21.388 17.288 980 HG SER 117 HG SER 117 -2.893 -21.083 17.982 981 H GLU 118 H GLU 118 -6.143 -19.694 13.530 982 HA GLU 118 HA GLU 118 -8.380 -21.271 14.106 983 HB2 GLU 118 HB2 GLU 118 -8.025 -19.374 12.347 984 HB3 GLU 118 HB3 GLU 118 -7.558 -20.693 11.282 985 HG2 GLU 118 HG2 GLU 118 -9.748 -21.769 11.768 986 HG3 GLU 118 HG3 GLU 118 -10.204 -20.319 12.663 987 H HIS 119 H HIS 119 -8.553 -23.401 14.207 988 HA HIS 119 HA HIS 119 -6.984 -25.038 12.333 989 HB2 HIS 119 HB2 HIS 119 -6.680 -24.957 15.145 990 HB3 HIS 119 HB3 HIS 119 -7.473 -26.484 14.769 991 HD1 HIS 119 HD1 HIS 119 -4.489 -24.532 13.413 992 HD2 HIS 119 HD2 HIS 119 -5.676 -28.426 14.252 993 HE1 HIS 119 HE1 HIS 119 -2.500 -25.972 12.873 994 HE2 HIS 119 HE2 HIS 119 -3.270 -28.332 13.305 995 H HIS 120 H HIS 120 -8.880 -25.113 11.026 996 HA HIS 120 HA HIS 120 -11.117 -26.646 12.158 997 HB2 HIS 120 HB2 HIS 120 -10.957 -24.431 10.318 998 HB3 HIS 120 HB3 HIS 120 -11.791 -25.785 9.562 999 HD1 HIS 120 HD1 HIS 120 -14.111 -24.748 9.648 1000 HD2 HIS 120 HD2 HIS 120 -12.271 -24.963 13.367 1001 HE1 HIS 120 HE1 HIS 120 -15.905 -24.191 11.319 1002 HE2 HIS 120 HE2 HIS 120 -14.747 -24.244 13.555 1003 H LYS 121 H LYS 121 -8.570 -27.827 11.360 1004 HA LYS 121 HA LYS 121 -9.584 -30.022 9.865 1005 HB2 LYS 121 HB2 LYS 121 -8.757 -27.958 8.262 1006 HB3 LYS 121 HB3 LYS 121 -7.300 -28.936 8.368 1007 HG2 LYS 121 HG2 LYS 121 -8.599 -30.897 7.626 1008 HG3 LYS 121 HG3 LYS 121 -10.011 -29.856 7.439 1009 HD2 LYS 121 HD2 LYS 121 -9.284 -29.637 5.322 1010 HD3 LYS 121 HD3 LYS 121 -8.150 -28.479 6.020 1011 HE2 LYS 121 HE2 LYS 121 -6.400 -30.032 6.041 1012 HE3 LYS 121 HE3 LYS 121 -7.493 -31.401 5.853 1013 HZ1 LYS 121 HZ1 LYS 121 -7.124 -29.338 3.756 1014 HZ2 LYS 121 HZ2 LYS 121 -7.872 -30.849 3.606 1015 HZ3 LYS 121 HZ3 LYS 121 -6.199 -30.752 3.824 1016 H LYS 122 H LYS 122 -8.815 -31.189 11.622 1017 HA LYS 122 HA LYS 122 -6.059 -31.968 11.455 1018 HB2 LYS 122 HB2 LYS 122 -6.196 -29.844 12.943 1019 HB3 LYS 122 HB3 LYS 122 -6.901 -30.922 14.140 1020 HG2 LYS 122 HG2 LYS 122 -4.700 -32.328 13.405 1021 HG3 LYS 122 HG3 LYS 122 -4.129 -30.668 13.228 1022 HD2 LYS 122 HD2 LYS 122 -5.132 -30.288 15.562 1023 HD3 LYS 122 HD3 LYS 122 -5.170 -32.048 15.681 1024 HE2 LYS 122 HE2 LYS 122 -3.139 -31.275 16.682 1025 HE3 LYS 122 HE3 LYS 122 -2.736 -32.069 15.160 1026 HZ1 LYS 122 HZ1 LYS 122 -1.653 -29.823 15.714 1027 HZ2 LYS 122 HZ2 LYS 122 -3.137 -29.150 15.258 1028 HZ3 LYS 122 HZ3 LYS 122 -2.246 -30.065 14.149 1029 HA PRO 123 HA PRO 123 -8.725 -35.454 12.686 1030 HB2 PRO 123 HB2 PRO 123 -7.033 -37.379 11.773 1031 HB3 PRO 123 HB3 PRO 123 -8.170 -36.518 10.730 1032 HG2 PRO 123 HG2 PRO 123 -5.244 -36.041 11.144 1033 HG3 PRO 123 HG3 PRO 123 -6.176 -36.044 9.634 1034 HD2 PRO 123 HD2 PRO 123 -5.458 -33.759 10.885 1035 HD3 PRO 123 HD3 PRO 123 -6.977 -33.907 9.978 1036 H ARG 124 H ARG 124 -8.688 -36.675 14.506 1037 HA ARG 124 HA ARG 124 -6.127 -37.019 15.902 1038 HB2 ARG 124 HB2 ARG 124 -7.830 -35.118 16.716 1039 HB3 ARG 124 HB3 ARG 124 -8.536 -36.489 17.559 1040 HG2 ARG 124 HG2 ARG 124 -5.605 -35.966 17.763 1041 HG3 ARG 124 HG3 ARG 124 -6.744 -35.032 18.734 1042 HD2 ARG 124 HD2 ARG 124 -6.923 -36.706 20.180 1043 HD3 ARG 124 HD3 ARG 124 -7.443 -37.794 18.895 1044 HE ARG 124 HE ARG 124 -4.600 -37.396 18.978 1045 HH11 ARG 124 HH11 ARG 124 -7.263 -39.245 20.269 1046 HH12 ARG 124 HH12 ARG 124 -6.275 -40.601 20.702 1047 HH21 ARG 124 HH21 ARG 124 -3.300 -39.177 19.546 1048 HH22 ARG 124 HH22 ARG 124 -4.025 -40.562 20.291 1049 H ILE 125 H ILE 125 -6.351 -39.172 14.936 1050 HA ILE 125 HA ILE 125 -7.786 -40.943 16.750 1051 HB ILE 125 HB ILE 125 -9.358 -40.580 14.888 1052 HG12 ILE 125 HG12 ILE 125 -9.467 -43.070 14.170 1053 HG13 ILE 125 HG13 ILE 125 -8.092 -43.285 15.248 1054 HG21 ILE 125 HG21 ILE 125 -8.743 -41.566 12.654 1055 HG22 ILE 125 HG22 ILE 125 -7.072 -41.595 13.216 1056 HG23 ILE 125 HG23 ILE 125 -7.929 -40.059 13.073 1057 HD11 ILE 125 HD11 ILE 125 -9.459 -42.334 17.085 1058 HD12 ILE 125 HD12 ILE 125 -10.091 -43.841 16.426 1059 HD13 ILE 125 HD13 ILE 125 -10.836 -42.305 15.985 1060 H ASP 126 H ASP 126 -6.782 -42.882 17.070 1061 HA ASP 126 HA ASP 126 -4.569 -43.635 15.314 1062 HB2 ASP 126 HB2 ASP 126 -4.306 -43.232 18.301 1063 HB3 ASP 126 HB3 ASP 126 -3.099 -44.029 17.296 1064 H ASP 127 H ASP 127 -4.345 -45.791 15.064 1065 HA ASP 127 HA ASP 127 -5.284 -47.683 16.999 1066 HB2 ASP 127 HB2 ASP 127 -7.038 -46.864 14.803 1067 HB3 ASP 127 HB3 ASP 127 -6.767 -48.603 14.860 1068 H SER 128 H SER 128 -5.481 -49.952 15.586 1069 HA SER 128 HA SER 128 -2.778 -50.385 14.730 1070 HB2 SER 128 HB2 SER 128 -5.162 -52.075 15.263 1071 HB3 SER 128 HB3 SER 128 -3.965 -52.726 14.144 1072 HG SER 128 HG SER 128 -3.606 -51.951 16.840 1073 H SER 129 H SER 129 -2.377 -49.320 12.831 1074 HA SER 129 HA SER 129 -4.109 -49.223 10.617 1075 HB2 SER 129 HB2 SER 129 -1.166 -49.117 10.159 1076 HB3 SER 129 HB3 SER 129 -2.438 -48.054 9.558 1077 HG SER 129 HG SER 129 -0.984 -47.935 11.912 1078 H ASP 130 H ASP 130 -4.871 -51.070 9.766 1079 HA ASP 130 HA ASP 130 -4.935 -53.050 8.651 1080 HB2 ASP 130 HB2 ASP 130 -2.964 -51.618 7.446 1081 HB3 ASP 130 HB3 ASP 130 -2.070 -53.054 7.937 1082 H LEU 131 H LEU 131 -4.510 -53.206 11.389 1083 HA LEU 131 HA LEU 131 -3.944 -54.686 13.018 1084 HB2 LEU 131 HB2 LEU 131 -3.092 -56.565 10.826 1085 HB3 LEU 131 HB3 LEU 131 -3.655 -56.974 12.434 1086 HG LEU 131 HG LEU 131 -5.517 -55.519 10.615 1087 HD11 LEU 131 HD11 LEU 131 -5.341 -58.501 10.490 1088 HD12 LEU 131 HD12 LEU 131 -4.360 -57.502 9.417 1089 HD13 LEU 131 HD13 LEU 131 -6.118 -57.377 9.376 1090 HD21 LEU 131 HD21 LEU 131 -7.108 -57.105 11.799 1091 HD22 LEU 131 HD22 LEU 131 -6.340 -55.866 12.792 1092 HD23 LEU 131 HD23 LEU 131 -5.748 -57.527 12.840 1093 H LEU 132 H LEU 132 -1.990 -56.356 13.570 1094 HA LEU 132 HA LEU 132 0.197 -56.514 14.169 1095 HB2 LEU 132 HB2 LEU 132 0.318 -55.485 11.383 1096 HB3 LEU 132 HB3 LEU 132 1.792 -55.422 12.330 1097 HG LEU 132 HG LEU 132 1.597 -57.451 10.910 1098 HD11 LEU 132 HD11 LEU 132 1.802 -57.668 13.891 1099 HD12 LEU 132 HD12 LEU 132 3.086 -57.690 12.682 1100 HD13 LEU 132 HD13 LEU 132 2.014 -59.079 12.853 1101 HD21 LEU 132 HD21 LEU 132 -0.798 -57.913 12.660 1102 HD22 LEU 132 HD22 LEU 132 0.045 -59.241 11.865 1103 HD23 LEU 132 HD23 LEU 132 -0.690 -57.960 10.901 1104 H LYS 133 H LYS 133 -0.180 -55.068 15.929 1105 HA LYS 133 HA LYS 133 0.195 -52.259 15.690 1106 HB2 LYS 133 HB2 LYS 133 -0.998 -53.651 17.551 1107 HB3 LYS 133 HB3 LYS 133 0.609 -53.752 18.259 1108 HG2 LYS 133 HG2 LYS 133 -0.224 -51.050 17.468 1109 HG3 LYS 133 HG3 LYS 133 -1.174 -51.783 18.762 1110 HD2 LYS 133 HD2 LYS 133 0.446 -51.023 20.114 1111 HD3 LYS 133 HD3 LYS 133 1.376 -52.399 19.519 1112 HE2 LYS 133 HE2 LYS 133 2.145 -50.857 17.643 1113 HE3 LYS 133 HE3 LYS 133 1.479 -49.538 18.605 1114 HZ1 LYS 133 HZ1 LYS 133 3.592 -51.430 19.488 1115 HZ2 LYS 133 HZ2 LYS 133 2.948 -50.173 20.421 1116 HZ3 LYS 133 HZ3 LYS 133 3.836 -49.822 19.024 1117 H THR 134 H THR 134 2.182 -52.127 14.517 1118 HA THR 134 HA THR 134 4.509 -52.218 16.286 1119 HB THR 134 HB THR 134 5.907 -53.254 14.580 1120 HG1 THR 134 HG1 THR 134 4.964 -54.050 12.683 1121 HG21 THR 134 HG21 THR 134 3.757 -55.216 14.453 1122 HG22 THR 134 HG22 THR 134 4.094 -54.624 16.080 1123 HG23 THR 134 HG23 THR 134 5.384 -55.349 15.120 1124 H ASP 135 H ASP 135 5.860 -50.521 16.048 1125 HA ASP 135 HA ASP 135 5.248 -48.627 13.876 1126 HB2 ASP 135 HB2 ASP 135 6.396 -48.087 16.625 1127 HB3 ASP 135 HB3 ASP 135 6.123 -46.869 15.382 1128 H GLU 136 H GLU 136 6.793 -48.145 12.452 1129 HA GLU 136 HA GLU 136 8.792 -48.107 11.372 1130 HB2 GLU 136 HB2 GLU 136 9.509 -47.647 14.213 1131 HB3 GLU 136 HB3 GLU 136 10.823 -48.095 13.136 1132 HG2 GLU 136 HG2 GLU 136 10.595 -46.182 11.850 1133 HG3 GLU 136 HG3 GLU 136 8.945 -45.892 12.398 1134 H ILE 137 H ILE 137 11.153 -49.274 11.555 1135 HA ILE 137 HA ILE 137 10.684 -52.100 12.213 1136 HB ILE 137 HB ILE 137 12.030 -51.211 9.666 1137 HG12 ILE 137 HG12 ILE 137 9.287 -52.448 9.876 1138 HG13 ILE 137 HG13 ILE 137 9.524 -50.705 9.839 1139 HG21 ILE 137 HG21 ILE 137 11.144 -53.901 10.694 1140 HG22 ILE 137 HG22 ILE 137 12.799 -53.351 10.422 1141 HG23 ILE 137 HG23 ILE 137 11.716 -53.599 9.053 1142 HD11 ILE 137 HD11 ILE 137 9.201 -52.358 7.667 1143 HD12 ILE 137 HD12 ILE 137 10.937 -52.052 7.698 1144 HD13 ILE 137 HD13 ILE 137 9.805 -50.700 7.639 Start of MODEL 6 1 H1 GLY -2 H1 GLY -2 -9.715 20.392 -12.315 2 H2 GLY -2 H2 GLY -2 -8.251 20.644 -13.125 3 H3 GLY -2 H3 GLY -2 -8.250 20.000 -11.561 4 HA2 GLY -2 HA2 GLY -2 -9.436 18.663 -13.930 5 HA3 GLY -2 HA3 GLY -2 -7.836 18.314 -13.293 6 H HIS -1 H HIS -1 -9.434 16.220 -13.465 7 HA HIS -1 HA HIS -1 -10.559 15.831 -10.771 8 HB2 HIS -1 HB2 HIS -1 -11.897 14.019 -11.737 9 HB3 HIS -1 HB3 HIS -1 -12.180 15.531 -12.594 10 HD1 HIS -1 HD1 HIS -1 -11.500 12.067 -13.193 11 HD2 HIS -1 HD2 HIS -1 -10.517 15.631 -15.088 12 HE1 HIS -1 HE1 HIS -1 -10.838 11.424 -15.532 13 HE2 HIS -1 HE2 HIS -1 -10.153 13.586 -16.628 14 H MET 0 H MET 0 -10.329 13.620 -9.877 15 HA MET 0 HA MET 0 -7.658 12.556 -10.499 16 HB2 MET 0 HB2 MET 0 -9.216 12.839 -7.973 17 HB3 MET 0 HB3 MET 0 -8.113 11.478 -8.113 18 HG2 MET 0 HG2 MET 0 -6.285 12.769 -7.951 19 HG3 MET 0 HG3 MET 0 -6.996 14.079 -8.891 20 HE1 MET 0 HE1 MET 0 -6.241 15.862 -7.878 21 HE2 MET 0 HE2 MET 0 -6.454 16.424 -6.219 22 HE3 MET 0 HE3 MET 0 -7.793 16.520 -7.361 23 H MET 1 H MET 1 -7.524 10.614 -11.400 24 HA MET 1 HA MET 1 -9.755 8.728 -11.020 25 HB2 MET 1 HB2 MET 1 -8.452 9.662 -13.527 26 HB3 MET 1 HB3 MET 1 -8.910 7.967 -13.437 27 HG2 MET 1 HG2 MET 1 -11.170 9.164 -12.543 28 HG3 MET 1 HG3 MET 1 -10.574 10.367 -13.686 29 HE1 MET 1 HE1 MET 1 -13.186 7.159 -14.249 30 HE2 MET 1 HE2 MET 1 -12.148 7.353 -12.836 31 HE3 MET 1 HE3 MET 1 -11.756 6.146 -14.060 32 H SER 2 H SER 2 -7.884 8.405 -9.266 33 HA SER 2 HA SER 2 -6.638 5.916 -9.990 34 HB2 SER 2 HB2 SER 2 -4.340 6.605 -9.411 35 HB3 SER 2 HB3 SER 2 -4.945 7.486 -10.814 36 HG SER 2 HG SER 2 -5.451 9.216 -9.356 37 H LYS 3 H LYS 3 -8.046 5.211 -8.320 38 HA LYS 3 HA LYS 3 -7.223 6.006 -5.607 39 HB2 LYS 3 HB2 LYS 3 -9.468 4.967 -4.956 40 HB3 LYS 3 HB3 LYS 3 -9.511 6.504 -5.808 41 HG2 LYS 3 HG2 LYS 3 -9.631 4.092 -7.496 42 HG3 LYS 3 HG3 LYS 3 -11.028 4.389 -6.460 43 HD2 LYS 3 HD2 LYS 3 -10.568 6.871 -7.485 44 HD3 LYS 3 HD3 LYS 3 -10.097 5.837 -8.836 45 HE2 LYS 3 HE2 LYS 3 -12.536 4.873 -7.674 46 HE3 LYS 3 HE3 LYS 3 -12.693 6.587 -8.053 47 HZ1 LYS 3 HZ1 LYS 3 -12.568 6.205 -10.254 48 HZ2 LYS 3 HZ2 LYS 3 -13.113 4.663 -9.824 49 HZ3 LYS 3 HZ3 LYS 3 -11.467 4.930 -10.102 50 H LEU 4 H LEU 4 -5.726 4.136 -7.116 51 HA LEU 4 HA LEU 4 -6.379 1.459 -6.624 52 HB2 LEU 4 HB2 LEU 4 -4.086 2.955 -7.560 53 HB3 LEU 4 HB3 LEU 4 -3.584 1.623 -6.535 54 HG LEU 4 HG LEU 4 -5.340 1.363 -8.979 55 HD11 LEU 4 HD11 LEU 4 -3.133 0.010 -9.606 56 HD12 LEU 4 HD12 LEU 4 -2.414 1.234 -8.558 57 HD13 LEU 4 HD13 LEU 4 -3.339 1.721 -9.978 58 HD21 LEU 4 HD21 LEU 4 -4.681 -1.091 -8.628 59 HD22 LEU 4 HD22 LEU 4 -5.920 -0.409 -7.574 60 HD23 LEU 4 HD23 LEU 4 -4.270 -0.603 -6.983 61 H PHE 5 H PHE 5 -4.908 3.889 -4.596 62 HA PHE 5 HA PHE 5 -4.252 1.934 -2.538 63 HB2 PHE 5 HB2 PHE 5 -3.401 3.991 -1.314 64 HB3 PHE 5 HB3 PHE 5 -2.574 3.587 -2.815 65 HD1 PHE 5 HD1 PHE 5 -4.889 5.921 -1.190 66 HD2 PHE 5 HD2 PHE 5 -2.698 5.024 -4.727 67 HE1 PHE 5 HE1 PHE 5 -5.317 8.195 -2.029 68 HE2 PHE 5 HE2 PHE 5 -3.119 7.295 -5.570 69 HZ PHE 5 HZ PHE 5 -4.432 8.883 -4.221 70 H LEU 6 H LEU 6 -6.858 3.924 -3.411 71 HA LEU 6 HA LEU 6 -7.858 4.163 -0.682 72 HB2 LEU 6 HB2 LEU 6 -8.288 5.552 -3.187 73 HB3 LEU 6 HB3 LEU 6 -9.811 5.099 -2.447 74 HG LEU 6 HG LEU 6 -7.837 6.375 -0.653 75 HD11 LEU 6 HD11 LEU 6 -7.433 7.811 -2.468 76 HD12 LEU 6 HD12 LEU 6 -8.640 8.638 -1.484 77 HD13 LEU 6 HD13 LEU 6 -9.127 7.803 -2.960 78 HD21 LEU 6 HD21 LEU 6 -10.769 6.180 -1.003 79 HD22 LEU 6 HD22 LEU 6 -10.146 7.660 -0.275 80 HD23 LEU 6 HD23 LEU 6 -9.790 6.098 0.462 81 H ASP 7 H ASP 7 -7.647 1.586 -2.306 82 HA ASP 7 HA ASP 7 -10.473 0.786 -2.076 83 HB2 ASP 7 HB2 ASP 7 -9.256 0.711 -4.378 84 HB3 ASP 7 HB3 ASP 7 -8.479 -0.730 -3.729 85 H GLU 8 H GLU 8 -7.221 0.182 -1.069 86 HA GLU 8 HA GLU 8 -7.948 -2.370 0.155 87 HB2 GLU 8 HB2 GLU 8 -5.259 -0.992 0.129 88 HB3 GLU 8 HB3 GLU 8 -5.587 -2.656 0.593 89 HG2 GLU 8 HG2 GLU 8 -6.413 -1.870 -2.125 90 HG3 GLU 8 HG3 GLU 8 -4.680 -1.942 -1.818 91 H LEU 9 H LEU 9 -9.188 -0.039 1.189 92 HA LEU 9 HA LEU 9 -8.312 -0.253 3.951 93 HB2 LEU 9 HB2 LEU 9 -8.449 2.262 4.205 94 HB3 LEU 9 HB3 LEU 9 -7.033 1.637 3.382 95 HG LEU 9 HG LEU 9 -8.441 2.114 1.217 96 HD11 LEU 9 HD11 LEU 9 -9.899 3.553 3.359 97 HD12 LEU 9 HD12 LEU 9 -10.495 2.841 1.859 98 HD13 LEU 9 HD13 LEU 9 -9.655 4.392 1.827 99 HD21 LEU 9 HD21 LEU 9 -7.017 4.155 2.908 100 HD22 LEU 9 HD22 LEU 9 -7.539 4.471 1.252 101 HD23 LEU 9 HD23 LEU 9 -6.366 3.195 1.579 102 HA PRO 10 HA PRO 10 -12.550 -0.170 5.107 103 HB2 PRO 10 HB2 PRO 10 -11.956 2.217 6.795 104 HB3 PRO 10 HB3 PRO 10 -12.747 0.698 7.233 105 HG2 PRO 10 HG2 PRO 10 -10.231 1.172 7.957 106 HG3 PRO 10 HG3 PRO 10 -10.738 -0.444 7.431 107 HD2 PRO 10 HD2 PRO 10 -9.153 1.618 5.971 108 HD3 PRO 10 HD3 PRO 10 -9.020 -0.151 5.925 109 H GLU 11 H GLU 11 -14.418 1.530 5.514 110 HA GLU 11 HA GLU 11 -14.379 3.322 3.193 111 HB2 GLU 11 HB2 GLU 11 -16.151 1.558 3.360 112 HB3 GLU 11 HB3 GLU 11 -16.764 2.380 4.790 113 HG2 GLU 11 HG2 GLU 11 -16.563 4.342 2.801 114 HG3 GLU 11 HG3 GLU 11 -17.261 2.923 2.022 115 H SER 12 H SER 12 -14.673 3.277 6.654 116 HA SER 12 HA SER 12 -15.710 5.945 6.881 117 HB2 SER 12 HB2 SER 12 -14.651 3.918 8.829 118 HB3 SER 12 HB3 SER 12 -14.944 5.580 9.339 119 HG SER 12 HG SER 12 -16.721 3.936 9.524 120 H LEU 13 H LEU 13 -12.547 4.440 6.897 121 HA LEU 13 HA LEU 13 -11.182 6.822 7.765 122 HB2 LEU 13 HB2 LEU 13 -10.435 4.060 7.027 123 HB3 LEU 13 HB3 LEU 13 -9.214 5.283 6.733 124 HG LEU 13 HG LEU 13 -10.474 5.348 9.407 125 HD11 LEU 13 HD11 LEU 13 -8.494 3.192 8.701 126 HD12 LEU 13 HD12 LEU 13 -10.218 2.918 8.945 127 HD13 LEU 13 HD13 LEU 13 -9.220 3.503 10.276 128 HD21 LEU 13 HD21 LEU 13 -8.475 6.703 8.361 129 HD22 LEU 13 HD22 LEU 13 -7.549 5.286 8.859 130 HD23 LEU 13 HD23 LEU 13 -8.455 6.210 10.055 131 H SER 14 H SER 14 -12.032 5.327 4.728 132 HA SER 14 HA SER 14 -10.258 6.554 2.989 133 HB2 SER 14 HB2 SER 14 -12.504 6.496 1.473 134 HB3 SER 14 HB3 SER 14 -11.514 5.074 1.806 135 HG SER 14 HG SER 14 -13.951 5.858 2.982 136 H ARG 15 H ARG 15 -12.991 7.895 4.672 137 HA ARG 15 HA ARG 15 -13.243 10.232 3.046 138 HB2 ARG 15 HB2 ARG 15 -14.427 9.221 5.561 139 HB3 ARG 15 HB3 ARG 15 -14.391 10.969 5.382 140 HG2 ARG 15 HG2 ARG 15 -16.133 10.916 4.021 141 HG3 ARG 15 HG3 ARG 15 -15.317 9.774 2.951 142 HD2 ARG 15 HD2 ARG 15 -17.342 8.751 3.673 143 HD3 ARG 15 HD3 ARG 15 -16.016 7.946 4.510 144 HE ARG 15 HE ARG 15 -17.152 10.104 6.017 145 HH11 ARG 15 HH11 ARG 15 -17.485 6.729 5.200 146 HH12 ARG 15 HH12 ARG 15 -18.357 6.337 6.643 147 HH21 ARG 15 HH21 ARG 15 -18.298 9.591 7.916 148 HH22 ARG 15 HH22 ARG 15 -18.820 7.961 8.187 149 H LYS 16 H LYS 16 -11.485 9.398 5.972 150 HA LYS 16 HA LYS 16 -10.623 12.102 6.462 151 HB2 LYS 16 HB2 LYS 16 -9.958 9.435 7.682 152 HB3 LYS 16 HB3 LYS 16 -9.056 10.882 8.110 153 HG2 LYS 16 HG2 LYS 16 -11.102 11.947 8.881 154 HG3 LYS 16 HG3 LYS 16 -12.028 10.517 8.424 155 HD2 LYS 16 HD2 LYS 16 -9.713 10.090 10.217 156 HD3 LYS 16 HD3 LYS 16 -11.104 10.931 10.905 157 HE2 LYS 16 HE2 LYS 16 -11.773 8.550 9.328 158 HE3 LYS 16 HE3 LYS 16 -10.820 8.224 10.775 159 HZ1 LYS 16 HZ1 LYS 16 -12.511 8.794 12.122 160 HZ2 LYS 16 HZ2 LYS 16 -13.469 8.433 10.774 161 HZ3 LYS 16 HZ3 LYS 16 -13.061 10.038 11.117 162 H ILE 17 H ILE 17 -9.404 9.307 4.775 163 HA ILE 17 HA ILE 17 -6.720 10.320 4.539 164 HB ILE 17 HB ILE 17 -8.023 8.089 2.976 165 HG12 ILE 17 HG12 ILE 17 -6.245 7.748 5.380 166 HG13 ILE 17 HG13 ILE 17 -7.988 7.920 5.553 167 HG21 ILE 17 HG21 ILE 17 -5.910 9.073 2.060 168 HG22 ILE 17 HG22 ILE 17 -5.816 7.358 2.457 169 HG23 ILE 17 HG23 ILE 17 -5.102 8.553 3.539 170 HD11 ILE 17 HD11 ILE 17 -8.150 5.973 3.903 171 HD12 ILE 17 HD12 ILE 17 -7.631 5.626 5.552 172 HD13 ILE 17 HD13 ILE 17 -6.441 5.717 4.253 173 H GLY 18 H GLY 18 -9.487 9.927 2.333 174 HA2 GLY 18 HA2 GLY 18 -8.269 10.984 0.043 175 HA3 GLY 18 HA3 GLY 18 -9.998 10.950 0.345 176 H THR 19 H THR 19 -9.560 12.606 2.835 177 HA THR 19 HA THR 19 -9.816 15.154 1.519 178 HB THR 19 HB THR 19 -11.271 14.604 3.395 179 HG1 THR 19 HG1 THR 19 -10.986 16.525 4.535 180 HG21 THR 19 HG21 THR 19 -8.741 14.505 5.010 181 HG22 THR 19 HG22 THR 19 -9.935 13.226 4.788 182 HG23 THR 19 HG23 THR 19 -10.351 14.671 5.708 183 H VAL 20 H VAL 20 -7.458 13.602 3.647 184 HA VAL 20 HA VAL 20 -5.833 15.927 3.947 185 HB VAL 20 HB VAL 20 -5.782 14.074 5.569 186 HG11 VAL 20 HG11 VAL 20 -4.353 12.072 4.932 187 HG12 VAL 20 HG12 VAL 20 -4.604 12.562 3.257 188 HG13 VAL 20 HG13 VAL 20 -5.983 12.131 4.267 189 HG21 VAL 20 HG21 VAL 20 -3.833 15.696 5.086 190 HG22 VAL 20 HG22 VAL 20 -3.038 14.285 4.390 191 HG23 VAL 20 HG23 VAL 20 -3.526 14.276 6.085 192 H VAL 21 H VAL 21 -5.969 13.307 1.634 193 HA VAL 21 HA VAL 21 -3.455 13.495 0.464 194 HB VAL 21 HB VAL 21 -6.040 12.992 -1.019 195 HG11 VAL 21 HG11 VAL 21 -4.825 12.345 -2.789 196 HG12 VAL 21 HG12 VAL 21 -3.606 11.555 -1.790 197 HG13 VAL 21 HG13 VAL 21 -3.537 13.298 -2.052 198 HG21 VAL 21 HG21 VAL 21 -4.827 11.496 1.087 199 HG22 VAL 21 HG22 VAL 21 -4.706 10.577 -0.412 200 HG23 VAL 21 HG23 VAL 21 -6.280 11.125 0.158 201 H ARG 22 H ARG 22 -6.244 15.572 0.160 202 HA ARG 22 HA ARG 22 -5.605 16.970 -2.161 203 HB2 ARG 22 HB2 ARG 22 -7.496 17.181 -0.077 204 HB3 ARG 22 HB3 ARG 22 -6.716 18.752 -0.191 205 HG2 ARG 22 HG2 ARG 22 -8.083 19.225 -1.866 206 HG3 ARG 22 HG3 ARG 22 -7.233 18.015 -2.829 207 HD2 ARG 22 HD2 ARG 22 -9.085 16.794 -2.907 208 HD3 ARG 22 HD3 ARG 22 -9.046 16.635 -1.153 209 HE ARG 22 HE ARG 22 -10.757 18.349 -2.704 210 HH11 ARG 22 HH11 ARG 22 -9.298 17.830 0.425 211 HH12 ARG 22 HH12 ARG 22 -10.495 18.748 1.273 212 HH21 ARG 22 HH21 ARG 22 -12.332 19.557 -1.587 213 HH22 ARG 22 HH22 ARG 22 -12.216 19.729 0.134 214 H VAL 23 H VAL 23 -4.245 17.142 1.030 215 HA VAL 23 HA VAL 23 -2.921 19.663 0.642 216 HB VAL 23 HB VAL 23 -2.378 17.535 2.719 217 HG11 VAL 23 HG11 VAL 23 -1.882 20.324 3.410 218 HG12 VAL 23 HG12 VAL 23 -0.861 19.739 2.099 219 HG13 VAL 23 HG13 VAL 23 -0.872 18.900 3.650 220 HG21 VAL 23 HG21 VAL 23 -3.713 19.425 4.063 221 HG22 VAL 23 HG22 VAL 23 -4.507 18.047 3.300 222 HG23 VAL 23 HG23 VAL 23 -4.471 19.610 2.482 223 H LEU 24 H LEU 24 -1.860 16.266 0.767 224 HA LEU 24 HA LEU 24 0.597 17.068 -0.649 225 HB2 LEU 24 HB2 LEU 24 0.102 15.178 1.581 226 HB3 LEU 24 HB3 LEU 24 1.291 14.701 0.386 227 HG LEU 24 HG LEU 24 2.376 15.790 2.255 228 HD11 LEU 24 HD11 LEU 24 3.848 16.899 0.970 229 HD12 LEU 24 HD12 LEU 24 2.611 17.958 0.289 230 HD13 LEU 24 HD13 LEU 24 2.833 16.331 -0.357 231 HD21 LEU 24 HD21 LEU 24 1.189 18.432 1.679 232 HD22 LEU 24 HD22 LEU 24 1.730 17.737 3.207 233 HD23 LEU 24 HD23 LEU 24 0.167 17.276 2.535 234 HA PRO 25 HA PRO 25 -1.771 14.263 -3.478 235 HB2 PRO 25 HB2 PRO 25 -1.373 15.717 -5.722 236 HB3 PRO 25 HB3 PRO 25 -2.685 16.062 -4.588 237 HG2 PRO 25 HG2 PRO 25 -0.021 17.400 -4.868 238 HG3 PRO 25 HG3 PRO 25 -1.618 18.129 -4.620 239 HD2 PRO 25 HD2 PRO 25 0.171 17.764 -2.605 240 HD3 PRO 25 HD3 PRO 25 -1.585 17.733 -2.354 241 H SER 26 H SER 26 1.421 15.367 -3.140 242 HA SER 26 HA SER 26 2.388 13.513 -5.209 243 HB2 SER 26 HB2 SER 26 3.431 16.083 -4.128 244 HB3 SER 26 HB3 SER 26 4.613 14.864 -4.604 245 HG SER 26 HG SER 26 3.648 14.830 -6.664 246 H SER 27 H SER 27 2.540 14.349 -1.808 247 HA SER 27 HA SER 27 4.701 12.674 -1.095 248 HB2 SER 27 HB2 SER 27 3.446 14.536 0.269 249 HB3 SER 27 HB3 SER 27 2.441 13.189 0.802 250 HG SER 27 HG SER 27 4.077 13.288 2.246 251 H LEU 28 H LEU 28 1.190 12.140 -1.024 252 HA LEU 28 HA LEU 28 1.054 9.641 0.079 253 HB2 LEU 28 HB2 LEU 28 -0.612 11.263 -1.625 254 HB3 LEU 28 HB3 LEU 28 -0.754 9.574 -2.073 255 HG LEU 28 HG LEU 28 -0.959 9.485 0.675 256 HD11 LEU 28 HD11 LEU 28 -2.157 12.031 -0.355 257 HD12 LEU 28 HD12 LEU 28 -1.171 11.768 1.084 258 HD13 LEU 28 HD13 LEU 28 -2.836 11.192 1.038 259 HD21 LEU 28 HD21 LEU 28 -2.323 8.168 -0.752 260 HD22 LEU 28 HD22 LEU 28 -3.059 9.597 -1.479 261 HD23 LEU 28 HD23 LEU 28 -3.410 9.181 0.198 262 H GLU 29 H GLU 29 2.230 10.501 -3.087 263 HA GLU 29 HA GLU 29 2.084 8.030 -4.373 264 HB2 GLU 29 HB2 GLU 29 3.189 10.547 -4.916 265 HB3 GLU 29 HB3 GLU 29 4.538 9.424 -5.026 266 HG2 GLU 29 HG2 GLU 29 1.946 8.905 -6.436 267 HG3 GLU 29 HG3 GLU 29 3.204 9.918 -7.145 268 H ILE 30 H ILE 30 4.352 9.245 -2.001 269 HA ILE 30 HA ILE 30 6.192 7.050 -2.307 270 HB ILE 30 HB ILE 30 6.030 9.044 -0.046 271 HG12 ILE 30 HG12 ILE 30 7.967 9.267 -2.318 272 HG13 ILE 30 HG13 ILE 30 6.325 9.863 -2.533 273 HG21 ILE 30 HG21 ILE 30 7.893 6.882 -0.782 274 HG22 ILE 30 HG22 ILE 30 7.510 7.565 0.799 275 HG23 ILE 30 HG23 ILE 30 8.633 8.401 -0.274 276 HD11 ILE 30 HD11 ILE 30 6.610 11.346 -0.622 277 HD12 ILE 30 HD12 ILE 30 7.836 11.638 -1.854 278 HD13 ILE 30 HD13 ILE 30 8.251 10.741 -0.396 279 H PHE 31 H PHE 31 3.643 7.977 -0.041 280 HA PHE 31 HA PHE 31 4.072 5.834 1.771 281 HB2 PHE 31 HB2 PHE 31 1.501 7.361 1.337 282 HB3 PHE 31 HB3 PHE 31 1.991 6.491 2.786 283 HD1 PHE 31 HD1 PHE 31 4.783 7.398 3.077 284 HD2 PHE 31 HD2 PHE 31 1.264 9.557 2.043 285 HE1 PHE 31 HE1 PHE 31 5.788 9.457 3.972 286 HE2 PHE 31 HE2 PHE 31 2.263 11.620 2.937 287 HZ PHE 31 HZ PHE 31 4.528 11.573 3.902 288 H GLU 32 H GLU 32 1.786 6.318 -0.908 289 HA GLU 32 HA GLU 32 0.319 3.974 -0.639 290 HB2 GLU 32 HB2 GLU 32 -0.111 4.194 -3.098 291 HB3 GLU 32 HB3 GLU 32 -0.416 5.658 -2.174 292 HG2 GLU 32 HG2 GLU 32 0.776 6.661 -3.766 293 HG3 GLU 32 HG3 GLU 32 2.172 6.020 -2.900 294 H GLU 33 H GLU 33 3.424 4.534 -2.208 295 HA GLU 33 HA GLU 33 3.612 1.836 -3.206 296 HB2 GLU 33 HB2 GLU 33 4.833 4.232 -3.844 297 HB3 GLU 33 HB3 GLU 33 6.115 3.339 -3.038 298 HG2 GLU 33 HG2 GLU 33 5.500 1.414 -4.608 299 HG3 GLU 33 HG3 GLU 33 4.616 2.628 -5.530 300 H LEU 34 H LEU 34 4.422 3.512 -0.306 301 HA LEU 34 HA LEU 34 6.475 1.782 0.621 302 HB2 LEU 34 HB2 LEU 34 5.756 4.169 1.404 303 HB3 LEU 34 HB3 LEU 34 4.662 3.296 2.459 304 HG LEU 34 HG LEU 34 7.674 3.120 2.439 305 HD11 LEU 34 HD11 LEU 34 6.297 5.074 3.528 306 HD12 LEU 34 HD12 LEU 34 7.664 4.346 4.372 307 HD13 LEU 34 HD13 LEU 34 6.018 3.877 4.792 308 HD21 LEU 34 HD21 LEU 34 6.908 0.929 2.910 309 HD22 LEU 34 HD22 LEU 34 5.613 1.527 3.945 310 HD23 LEU 34 HD23 LEU 34 7.292 1.666 4.466 311 H TYR 35 H TYR 35 2.996 2.000 1.364 312 HA TYR 35 HA TYR 35 2.971 -0.237 3.093 313 HB2 TYR 35 HB2 TYR 35 0.725 0.156 3.328 314 HB3 TYR 35 HB3 TYR 35 1.223 1.717 2.692 315 HD1 TYR 35 HD1 TYR 35 -0.516 -1.426 1.929 316 HD2 TYR 35 HD2 TYR 35 0.563 2.424 0.485 317 HE1 TYR 35 HE1 TYR 35 -2.132 -1.672 0.092 318 HE2 TYR 35 HE2 TYR 35 -1.049 2.193 -1.359 319 HH TYR 35 HH TYR 35 -2.168 0.345 -2.605 320 H LYS 36 H LYS 36 2.665 0.114 -0.362 321 HA LYS 36 HA LYS 36 1.613 -2.485 -0.867 322 HB2 LYS 36 HB2 LYS 36 2.400 -0.177 -2.406 323 HB3 LYS 36 HB3 LYS 36 3.038 -1.640 -3.145 324 HG2 LYS 36 HG2 LYS 36 0.950 -2.490 -3.591 325 HG3 LYS 36 HG3 LYS 36 0.178 -1.556 -2.307 326 HD2 LYS 36 HD2 LYS 36 -0.548 -0.402 -4.151 327 HD3 LYS 36 HD3 LYS 36 0.937 0.484 -3.790 328 HE2 LYS 36 HE2 LYS 36 1.203 -1.862 -5.566 329 HE3 LYS 36 HE3 LYS 36 0.336 -0.477 -6.227 330 HZ1 LYS 36 HZ1 LYS 36 3.148 -0.753 -5.549 331 HZ2 LYS 36 HZ2 LYS 36 2.445 0.739 -5.177 332 HZ3 LYS 36 HZ3 LYS 36 2.414 0.161 -6.767 333 H TYR 37 H TYR 37 4.824 -1.166 -0.481 334 HA TYR 37 HA TYR 37 6.327 -3.229 -1.625 335 HB2 TYR 37 HB2 TYR 37 7.363 -1.128 -1.020 336 HB3 TYR 37 HB3 TYR 37 6.978 -1.380 0.679 337 HD1 TYR 37 HD1 TYR 37 8.207 -3.069 1.991 338 HD2 TYR 37 HD2 TYR 37 9.264 -2.185 -2.034 339 HE1 TYR 37 HE1 TYR 37 10.379 -4.171 2.327 340 HE2 TYR 37 HE2 TYR 37 11.440 -3.285 -1.712 341 HH TYR 37 HH TYR 37 12.962 -3.771 0.393 342 H ALA 38 H ALA 38 5.285 -2.775 1.748 343 HA ALA 38 HA ALA 38 6.391 -5.208 2.689 344 HB1 ALA 38 HB1 ALA 38 4.528 -4.738 4.530 345 HB2 ALA 38 HB2 ALA 38 4.545 -3.153 3.758 346 HB3 ALA 38 HB3 ALA 38 6.030 -3.816 4.444 347 H LEU 39 H LEU 39 3.543 -4.496 0.911 348 HA LEU 39 HA LEU 39 2.050 -6.801 1.762 349 HB2 LEU 39 HB2 LEU 39 1.625 -4.491 0.061 350 HB3 LEU 39 HB3 LEU 39 1.019 -5.956 -0.688 351 HG LEU 39 HG LEU 39 0.258 -5.575 2.139 352 HD11 LEU 39 HD11 LEU 39 -0.110 -3.345 1.661 353 HD12 LEU 39 HD12 LEU 39 -1.664 -4.076 1.258 354 HD13 LEU 39 HD13 LEU 39 -0.523 -3.664 -0.024 355 HD21 LEU 39 HD21 LEU 39 -1.664 -6.069 -0.062 356 HD22 LEU 39 HD22 LEU 39 -1.561 -6.798 1.541 357 HD23 LEU 39 HD23 LEU 39 -0.463 -7.317 0.262 358 H ASN 40 H ASN 40 4.337 -6.046 -0.757 359 HA ASN 40 HA ASN 40 3.763 -8.375 -2.335 360 HB2 ASN 40 HB2 ASN 40 5.790 -6.185 -2.416 361 HB3 ASN 40 HB3 ASN 40 6.127 -7.671 -3.300 362 HD21 ASN 40 HD21 ASN 40 5.937 -6.880 -5.329 363 HD22 ASN 40 HD22 ASN 40 4.464 -6.269 -5.994 364 H GLU 41 H GLU 41 6.207 -7.450 0.033 365 HA GLU 41 HA GLU 41 7.758 -9.815 -0.210 366 HB2 GLU 41 HB2 GLU 41 8.727 -9.095 1.987 367 HB3 GLU 41 HB3 GLU 41 8.790 -7.872 0.726 368 HG2 GLU 41 HG2 GLU 41 7.865 -6.471 2.164 369 HG3 GLU 41 HG3 GLU 41 6.381 -7.410 2.019 370 H ASN 42 H ASN 42 4.877 -9.003 1.548 371 HA ASN 42 HA ASN 42 4.936 -10.908 3.581 372 HB2 ASN 42 HB2 ASN 42 3.048 -9.086 2.499 373 HB3 ASN 42 HB3 ASN 42 2.258 -10.659 2.588 374 HD21 ASN 42 HD21 ASN 42 4.643 -9.007 4.633 375 HD22 ASN 42 HD22 ASN 42 3.733 -9.140 6.095 376 H SER 43 H SER 43 4.231 -11.235 0.179 377 HA SER 43 HA SER 43 3.410 -14.022 0.552 378 HB2 SER 43 HB2 SER 43 3.194 -13.664 -2.109 379 HB3 SER 43 HB3 SER 43 1.915 -13.226 -0.976 380 HG SER 43 HG SER 43 2.318 -11.164 -1.297 381 H ASN 44 H ASN 44 4.208 -15.321 -1.602 382 HA ASN 44 HA ASN 44 5.947 -16.451 -2.533 383 HB2 ASN 44 HB2 ASN 44 7.078 -13.666 -2.396 384 HB3 ASN 44 HB3 ASN 44 8.033 -15.005 -3.024 385 HD21 ASN 44 HD21 ASN 44 4.755 -13.685 -3.360 386 HD22 ASN 44 HD22 ASN 44 4.691 -13.830 -5.081 387 H ASP 45 H ASP 45 8.421 -16.931 -2.187 388 HA ASP 45 HA ASP 45 8.783 -17.244 0.712 389 HB2 ASP 45 HB2 ASP 45 9.399 -18.943 -1.635 390 HB3 ASP 45 HB3 ASP 45 10.588 -18.961 -0.335 391 H ARG 46 H ARG 46 11.130 -17.370 -1.945 392 HA ARG 46 HA ARG 46 12.396 -14.919 -1.343 393 HB2 ARG 46 HB2 ARG 46 13.144 -17.195 0.290 394 HB3 ARG 46 HB3 ARG 46 14.522 -16.582 -0.611 395 HG2 ARG 46 HG2 ARG 46 14.363 -14.459 0.376 396 HG3 ARG 46 HG3 ARG 46 12.744 -14.782 0.999 397 HD2 ARG 46 HD2 ARG 46 13.687 -16.508 2.481 398 HD3 ARG 46 HD3 ARG 46 15.300 -16.117 1.885 399 HE ARG 46 HE ARG 46 15.311 -14.253 3.219 400 HH11 ARG 46 HH11 ARG 46 12.053 -15.491 3.019 401 HH12 ARG 46 HH12 ARG 46 11.444 -14.434 4.247 402 HH21 ARG 46 HH21 ARG 46 14.509 -12.865 4.836 403 HH22 ARG 46 HH22 ARG 46 12.837 -12.943 5.279 404 H SER 47 H SER 47 11.690 -15.627 -3.717 405 HA SER 47 HA SER 47 12.360 -15.969 -5.864 406 HB2 SER 47 HB2 SER 47 14.140 -14.355 -5.142 407 HB3 SER 47 HB3 SER 47 15.170 -15.735 -4.766 408 HG SER 47 HG SER 47 15.192 -14.618 -6.991 409 H GLU 48 H GLU 48 14.336 -17.317 -7.095 410 HA GLU 48 HA GLU 48 14.486 -19.960 -5.838 411 HB2 GLU 48 HB2 GLU 48 13.201 -19.278 -8.454 412 HB3 GLU 48 HB3 GLU 48 14.001 -20.833 -8.267 413 HG2 GLU 48 HG2 GLU 48 12.479 -20.756 -6.026 414 HG3 GLU 48 HG3 GLU 48 11.467 -19.865 -7.162 415 H HIS 49 H HIS 49 15.355 -18.285 -8.870 416 HA HIS 49 HA HIS 49 17.995 -19.556 -8.737 417 HB2 HIS 49 HB2 HIS 49 16.260 -18.586 -10.934 418 HB3 HIS 49 HB3 HIS 49 17.992 -18.350 -11.152 419 HD1 HIS 49 HD1 HIS 49 18.903 -21.030 -9.795 420 HD2 HIS 49 HD2 HIS 49 15.940 -20.676 -12.686 421 HE1 HIS 49 HE1 HIS 49 18.748 -23.293 -10.878 422 HE2 HIS 49 HE2 HIS 49 17.010 -23.031 -12.683 423 H HIS 50 H HIS 50 19.852 -18.200 -9.499 424 HA HIS 50 HA HIS 50 19.556 -15.394 -8.656 425 HB2 HIS 50 HB2 HIS 50 20.760 -17.142 -7.052 426 HB3 HIS 50 HB3 HIS 50 22.125 -16.810 -8.114 427 HD1 HIS 50 HD1 HIS 50 19.551 -14.373 -6.741 428 HD2 HIS 50 HD2 HIS 50 23.640 -15.111 -6.639 429 HE1 HIS 50 HE1 HIS 50 20.550 -12.444 -5.474 430 HE2 HIS 50 HE2 HIS 50 23.015 -12.956 -5.352 431 H LYS 51 H LYS 51 19.479 -14.727 -10.820 432 HA LYS 51 HA LYS 51 22.084 -14.807 -12.175 433 HB2 LYS 51 HB2 LYS 51 19.986 -16.274 -13.082 434 HB3 LYS 51 HB3 LYS 51 19.715 -14.763 -13.939 435 HG2 LYS 51 HG2 LYS 51 21.301 -15.254 -15.401 436 HG3 LYS 51 HG3 LYS 51 22.481 -15.475 -14.109 437 HD2 LYS 51 HD2 LYS 51 20.529 -17.660 -14.499 438 HD3 LYS 51 HD3 LYS 51 21.729 -17.443 -15.775 439 HE2 LYS 51 HE2 LYS 51 23.397 -18.215 -14.490 440 HE3 LYS 51 HE3 LYS 51 22.841 -17.324 -13.073 441 HZ1 LYS 51 HZ1 LYS 51 21.721 -19.895 -14.055 442 HZ2 LYS 51 HZ2 LYS 51 21.174 -19.039 -12.702 443 HZ3 LYS 51 HZ3 LYS 51 22.729 -19.704 -12.710 444 H LYS 52 H LYS 52 22.208 -12.700 -11.068 445 HA LYS 52 HA LYS 52 20.872 -10.612 -12.654 446 HB2 LYS 52 HB2 LYS 52 21.521 -10.494 -9.703 447 HB3 LYS 52 HB3 LYS 52 20.811 -9.193 -10.651 448 HG2 LYS 52 HG2 LYS 52 19.561 -11.864 -10.050 449 HG3 LYS 52 HG3 LYS 52 19.102 -10.302 -9.369 450 HD2 LYS 52 HD2 LYS 52 18.942 -9.798 -12.040 451 HD3 LYS 52 HD3 LYS 52 18.454 -11.492 -11.973 452 HE2 LYS 52 HE2 LYS 52 16.578 -11.043 -10.729 453 HE3 LYS 52 HE3 LYS 52 17.270 -9.587 -10.016 454 HZ1 LYS 52 HZ1 LYS 52 15.631 -8.856 -11.501 455 HZ2 LYS 52 HZ2 LYS 52 16.121 -9.920 -12.723 456 HZ3 LYS 52 HZ3 LYS 52 17.091 -8.596 -12.315 457 HA PRO 53 HA PRO 53 25.372 -9.992 -13.227 458 HB2 PRO 53 HB2 PRO 53 25.118 -8.666 -15.588 459 HB3 PRO 53 HB3 PRO 53 25.132 -10.429 -15.467 460 HG2 PRO 53 HG2 PRO 53 22.803 -8.566 -15.718 461 HG3 PRO 53 HG3 PRO 53 23.093 -10.111 -16.536 462 HD2 PRO 53 HD2 PRO 53 21.448 -9.890 -14.403 463 HD3 PRO 53 HD3 PRO 53 22.411 -11.348 -14.711 464 H ARG 54 H ARG 54 25.313 -8.533 -11.406 465 HA ARG 54 HA ARG 54 25.443 -5.747 -12.256 466 HB2 ARG 54 HB2 ARG 54 23.652 -6.780 -10.063 467 HB3 ARG 54 HB3 ARG 54 24.189 -5.106 -10.120 468 HG2 ARG 54 HG2 ARG 54 23.244 -5.365 -12.619 469 HG3 ARG 54 HG3 ARG 54 22.208 -6.521 -11.778 470 HD2 ARG 54 HD2 ARG 54 22.087 -4.463 -10.057 471 HD3 ARG 54 HD3 ARG 54 22.348 -3.577 -11.558 472 HE ARG 54 HE ARG 54 20.348 -5.308 -12.170 473 HH11 ARG 54 HH11 ARG 54 20.806 -2.937 -9.650 474 HH12 ARG 54 HH12 ARG 54 19.116 -2.590 -9.499 475 HH21 ARG 54 HH21 ARG 54 18.127 -4.853 -11.972 476 HH22 ARG 54 HH22 ARG 54 17.595 -3.677 -10.817 477 H ILE 55 H ILE 55 26.333 -4.357 -10.423 478 HA ILE 55 HA ILE 55 28.133 -5.886 -8.678 479 HB ILE 55 HB ILE 55 29.060 -3.484 -10.249 480 HG12 ILE 55 HG12 ILE 55 30.511 -5.570 -11.226 481 HG13 ILE 55 HG13 ILE 55 28.952 -6.346 -10.966 482 HG21 ILE 55 HG21 ILE 55 31.264 -4.114 -9.482 483 HG22 ILE 55 HG22 ILE 55 30.605 -5.536 -8.673 484 HG23 ILE 55 HG23 ILE 55 30.184 -3.922 -8.099 485 HD11 ILE 55 HD11 ILE 55 29.776 -4.667 -13.097 486 HD12 ILE 55 HD12 ILE 55 28.463 -3.870 -12.230 487 HD13 ILE 55 HD13 ILE 55 28.236 -5.497 -12.872 488 H ASP 56 H ASP 56 27.373 -5.336 -6.725 489 HA ASP 56 HA ASP 56 26.893 -2.483 -6.176 490 HB2 ASP 56 HB2 ASP 56 25.536 -4.965 -5.274 491 HB3 ASP 56 HB3 ASP 56 25.688 -3.669 -4.091 492 H ASP 57 H ASP 57 28.866 -1.800 -5.487 493 HA ASP 57 HA ASP 57 30.636 -1.480 -4.097 494 HB2 ASP 57 HB2 ASP 57 28.512 -1.819 -2.463 495 HB3 ASP 57 HB3 ASP 57 29.522 -3.159 -1.924 496 H SER 58 H SER 58 31.257 -3.286 -5.869 497 HA SER 58 HA SER 58 32.820 -5.246 -4.361 498 HB2 SER 58 HB2 SER 58 30.673 -6.297 -5.265 499 HB3 SER 58 HB3 SER 58 31.353 -6.052 -6.873 500 HG SER 58 HG SER 58 33.128 -7.341 -6.234 501 H SER 59 H SER 59 34.703 -4.141 -4.784 502 HA SER 59 HA SER 59 35.397 -3.548 -7.556 503 HB2 SER 59 HB2 SER 59 37.560 -2.704 -6.262 504 HB3 SER 59 HB3 SER 59 36.083 -1.740 -6.303 505 HG SER 59 HG SER 59 36.644 -1.839 -4.192 506 H ASP 60 H ASP 60 35.589 -5.739 -8.258 507 HA ASP 60 HA ASP 60 38.249 -6.798 -7.822 508 HB2 ASP 60 HB2 ASP 60 36.363 -7.807 -6.180 509 HB3 ASP 60 HB3 ASP 60 36.141 -8.867 -7.569 510 H LEU 61 H LEU 61 38.881 -8.347 -9.418 511 HA LEU 61 HA LEU 61 37.045 -8.857 -11.613 512 HB2 LEU 61 HB2 LEU 61 38.620 -6.631 -11.765 513 HB3 LEU 61 HB3 LEU 61 39.639 -7.829 -12.543 514 HG LEU 61 HG LEU 61 36.780 -7.397 -13.376 515 HD11 LEU 61 HD11 LEU 61 37.295 -5.646 -14.695 516 HD12 LEU 61 HD12 LEU 61 38.931 -6.224 -15.009 517 HD13 LEU 61 HD13 LEU 61 38.565 -5.389 -13.499 518 HD21 LEU 61 HD21 LEU 61 37.221 -8.801 -15.087 519 HD22 LEU 61 HD22 LEU 61 38.455 -9.409 -13.984 520 HD23 LEU 61 HD23 LEU 61 38.891 -8.257 -15.246 521 H LEU 62 H LEU 62 40.527 -9.006 -10.833 522 HA LEU 62 HA LEU 62 40.542 -11.776 -11.819 523 HB2 LEU 62 HB2 LEU 62 43.036 -11.466 -11.871 524 HB3 LEU 62 HB3 LEU 62 42.127 -10.486 -13.006 525 HG LEU 62 HG LEU 62 42.590 -9.103 -10.482 526 HD11 LEU 62 HD11 LEU 62 44.675 -10.689 -11.015 527 HD12 LEU 62 HD12 LEU 62 44.844 -9.077 -10.321 528 HD13 LEU 62 HD13 LEU 62 45.083 -9.321 -12.051 529 HD21 LEU 62 HD21 LEU 62 43.704 -7.559 -12.337 530 HD22 LEU 62 HD22 LEU 62 41.956 -7.668 -12.128 531 HD23 LEU 62 HD23 LEU 62 42.751 -8.596 -13.398 532 H LYS 63 H LYS 63 42.546 -12.973 -10.656 533 HA LYS 63 HA LYS 63 42.131 -12.661 -7.755 534 HB2 LYS 63 HB2 LYS 63 42.280 -15.190 -9.395 535 HB3 LYS 63 HB3 LYS 63 42.462 -15.175 -7.645 536 HG2 LYS 63 HG2 LYS 63 40.230 -14.299 -7.378 537 HG3 LYS 63 HG3 LYS 63 40.043 -14.165 -9.127 538 HD2 LYS 63 HD2 LYS 63 39.063 -16.184 -8.929 539 HD3 LYS 63 HD3 LYS 63 40.725 -16.775 -8.890 540 HE2 LYS 63 HE2 LYS 63 40.708 -16.789 -6.478 541 HE3 LYS 63 HE3 LYS 63 39.107 -16.052 -6.451 542 HZ1 LYS 63 HZ1 LYS 63 38.371 -18.093 -7.733 543 HZ2 LYS 63 HZ2 LYS 63 38.747 -18.318 -6.098 544 HZ3 LYS 63 HZ3 LYS 63 39.849 -18.788 -7.292 545 H THR 64 H THR 64 43.890 -13.232 -6.400 546 HA THR 64 HA THR 64 46.469 -12.769 -7.657 547 HB THR 64 HB THR 64 47.180 -12.843 -5.140 548 HG1 THR 64 HG1 THR 64 45.503 -13.471 -4.010 549 HG21 THR 64 HG21 THR 64 46.539 -10.786 -6.773 550 HG22 THR 64 HG22 THR 64 47.115 -10.610 -5.114 551 HG23 THR 64 HG23 THR 64 45.387 -10.553 -5.458 552 H ASP 65 H ASP 65 45.719 -15.138 -8.534 553 HA ASP 65 HA ASP 65 47.073 -17.114 -6.819 554 HB2 ASP 65 HB2 ASP 65 44.629 -17.483 -7.492 555 HB3 ASP 65 HB3 ASP 65 45.236 -17.768 -9.120 556 H GLU 66 H GLU 66 49.154 -16.480 -7.560 557 HA GLU 66 HA GLU 66 49.793 -16.651 -10.366 558 HB2 GLU 66 HB2 GLU 66 51.210 -15.903 -7.879 559 HB3 GLU 66 HB3 GLU 66 52.211 -16.584 -9.155 560 HG2 GLU 66 HG2 GLU 66 51.033 -14.856 -10.673 561 HG3 GLU 66 HG3 GLU 66 50.609 -14.065 -9.155 562 H ILE 67 H ILE 67 51.959 -17.955 -10.806 563 HA ILE 67 HA ILE 67 52.673 -20.053 -11.365 564 HB ILE 67 HB ILE 67 53.760 -19.627 -9.165 565 HG12 ILE 67 HG12 ILE 67 53.234 -22.553 -9.189 566 HG13 ILE 67 HG13 ILE 67 53.846 -21.836 -10.677 567 HG21 ILE 67 HG21 ILE 67 51.943 -19.575 -7.654 568 HG22 ILE 67 HG22 ILE 67 52.902 -20.992 -7.227 569 HG23 ILE 67 HG23 ILE 67 51.403 -21.184 -8.134 570 HD11 ILE 67 HD11 ILE 67 55.276 -21.053 -8.239 571 HD12 ILE 67 HD12 ILE 67 55.892 -21.517 -9.826 572 HD13 ILE 67 HD13 ILE 67 55.395 -22.758 -8.674 573 H1 GLY 68 H1 GLY 68 6.556 11.033 25.033 574 H2 GLY 68 H2 GLY 68 6.315 11.118 23.362 575 H3 GLY 68 H3 GLY 68 6.695 12.517 24.233 576 HA2 GLY 68 HA2 GLY 68 8.892 11.877 24.592 577 HA3 GLY 68 HA3 GLY 68 8.533 10.209 24.174 578 H HIS 69 H HIS 69 10.366 10.365 22.732 579 HA HIS 69 HA HIS 69 9.630 11.628 20.177 580 HB2 HIS 69 HB2 HIS 69 12.260 11.655 21.622 581 HB3 HIS 69 HB3 HIS 69 12.215 11.776 19.866 582 HD1 HIS 69 HD1 HIS 69 11.171 13.939 18.855 583 HD2 HIS 69 HD2 HIS 69 11.453 13.934 23.000 584 HE1 HIS 69 HE1 HIS 69 10.794 16.323 19.559 585 HE2 HIS 69 HE2 HIS 69 10.881 16.279 22.076 586 H MET 70 H MET 70 12.257 9.483 21.260 587 HA MET 70 HA MET 70 11.743 7.753 18.974 588 HB2 MET 70 HB2 MET 70 14.029 8.301 20.747 589 HB3 MET 70 HB3 MET 70 13.854 6.614 20.281 590 HG2 MET 70 HG2 MET 70 15.211 7.409 18.621 591 HG3 MET 70 HG3 MET 70 13.620 7.582 17.881 592 HE1 MET 70 HE1 MET 70 16.782 10.552 18.212 593 HE2 MET 70 HE2 MET 70 16.785 8.838 18.624 594 HE3 MET 70 HE3 MET 70 16.437 10.041 19.865 595 H MET 71 H MET 71 9.701 6.971 19.840 596 HA MET 71 HA MET 71 10.108 4.574 21.426 597 HB2 MET 71 HB2 MET 71 8.739 6.979 22.439 598 HB3 MET 71 HB3 MET 71 7.838 5.483 22.640 599 HG2 MET 71 HG2 MET 71 8.993 5.431 24.575 600 HG3 MET 71 HG3 MET 71 10.190 4.648 23.546 601 HE1 MET 71 HE1 MET 71 12.000 5.186 25.381 602 HE2 MET 71 HE2 MET 71 13.066 6.519 24.935 603 HE3 MET 71 HE3 MET 71 12.611 5.312 23.732 604 H SER 72 H SER 72 7.726 6.676 19.835 605 HA SER 72 HA SER 72 6.277 4.272 18.956 606 HB2 SER 72 HB2 SER 72 5.073 6.942 18.508 607 HB3 SER 72 HB3 SER 72 4.326 5.443 19.066 608 HG SER 72 HG SER 72 5.555 5.874 21.082 609 H LYS 73 H LYS 73 8.729 5.130 17.720 610 HA LYS 73 HA LYS 73 7.710 5.812 15.040 611 HB2 LYS 73 HB2 LYS 73 9.524 7.288 16.568 612 HB3 LYS 73 HB3 LYS 73 10.522 6.437 15.399 613 HG2 LYS 73 HG2 LYS 73 10.063 8.203 14.099 614 HG3 LYS 73 HG3 LYS 73 8.553 7.342 13.791 615 HD2 LYS 73 HD2 LYS 73 7.451 8.606 15.556 616 HD3 LYS 73 HD3 LYS 73 8.964 9.437 15.924 617 HE2 LYS 73 HE2 LYS 73 8.802 9.991 13.317 618 HE3 LYS 73 HE3 LYS 73 7.083 9.811 13.665 619 HZ1 LYS 73 HZ1 LYS 73 8.203 12.109 13.922 620 HZ2 LYS 73 HZ2 LYS 73 8.757 11.498 15.401 621 HZ3 LYS 73 HZ3 LYS 73 7.097 11.596 15.094 622 H LEU 74 H LEU 74 7.773 4.030 13.843 623 HA LEU 74 HA LEU 74 10.150 2.302 14.041 624 HB2 LEU 74 HB2 LEU 74 7.406 1.368 13.230 625 HB3 LEU 74 HB3 LEU 74 8.808 0.382 13.601 626 HG LEU 74 HG LEU 74 8.273 1.936 15.908 627 HD11 LEU 74 HD11 LEU 74 5.842 1.050 14.479 628 HD12 LEU 74 HD12 LEU 74 6.074 2.381 15.613 629 HD13 LEU 74 HD13 LEU 74 5.910 0.731 16.213 630 HD21 LEU 74 HD21 LEU 74 8.112 -0.161 16.974 631 HD22 LEU 74 HD22 LEU 74 9.248 -0.387 15.643 632 HD23 LEU 74 HD23 LEU 74 7.587 -0.962 15.494 633 H PHE 75 H PHE 75 7.623 3.557 11.923 634 HA PHE 75 HA PHE 75 8.761 2.532 9.525 635 HB2 PHE 75 HB2 PHE 75 7.189 4.123 8.392 636 HB3 PHE 75 HB3 PHE 75 6.413 3.037 9.539 637 HD1 PHE 75 HD1 PHE 75 5.622 3.895 11.711 638 HD2 PHE 75 HD2 PHE 75 7.191 6.479 8.716 639 HE1 PHE 75 HE1 PHE 75 4.606 5.824 12.849 640 HE2 PHE 75 HE2 PHE 75 6.182 8.414 9.851 641 HZ PHE 75 HZ PHE 75 4.886 8.087 11.921 642 H LEU 76 H LEU 76 10.975 3.348 10.313 643 HA LEU 76 HA LEU 76 11.842 5.366 8.572 644 HB2 LEU 76 HB2 LEU 76 11.025 6.237 11.255 645 HB3 LEU 76 HB3 LEU 76 12.636 6.753 10.796 646 HG LEU 76 HG LEU 76 10.796 7.246 8.634 647 HD11 LEU 76 HD11 LEU 76 9.801 9.216 10.208 648 HD12 LEU 76 HD12 LEU 76 9.838 7.863 11.339 649 HD13 LEU 76 HD13 LEU 76 8.951 7.720 9.820 650 HD21 LEU 76 HD21 LEU 76 12.004 9.140 8.448 651 HD22 LEU 76 HD22 LEU 76 13.098 8.304 9.550 652 HD23 LEU 76 HD23 LEU 76 11.942 9.478 10.178 653 H ASP 77 H ASP 77 12.439 3.687 11.619 654 HA ASP 77 HA ASP 77 15.313 3.731 11.185 655 HB2 ASP 77 HB2 ASP 77 13.909 3.839 13.462 656 HB3 ASP 77 HB3 ASP 77 14.117 2.094 13.359 657 H GLU 78 H GLU 78 12.610 1.540 10.893 658 HA GLU 78 HA GLU 78 14.340 -0.749 10.425 659 HB2 GLU 78 HB2 GLU 78 11.330 -0.560 10.216 660 HB3 GLU 78 HB3 GLU 78 12.286 -2.035 10.253 661 HG2 GLU 78 HG2 GLU 78 13.071 -0.807 12.552 662 HG3 GLU 78 HG3 GLU 78 11.382 -0.319 12.436 663 H LEU 79 H LEU 79 11.633 0.702 8.600 664 HA LEU 79 HA LEU 79 12.025 -0.500 6.176 665 HB2 LEU 79 HB2 LEU 79 11.087 1.644 5.180 666 HB3 LEU 79 HB3 LEU 79 10.118 0.848 6.403 667 HG LEU 79 HG LEU 79 11.006 2.478 8.080 668 HD11 LEU 79 HD11 LEU 79 12.501 3.362 5.694 669 HD12 LEU 79 HD12 LEU 79 12.933 3.441 7.402 670 HD13 LEU 79 HD13 LEU 79 11.830 4.633 6.714 671 HD21 LEU 79 HD21 LEU 79 8.936 3.177 7.525 672 HD22 LEU 79 HD22 LEU 79 9.259 3.108 5.791 673 HD23 LEU 79 HD23 LEU 79 9.816 4.489 6.739 674 HA PRO 80 HA PRO 80 15.693 0.673 4.038 675 HB2 PRO 80 HB2 PRO 80 13.957 2.313 2.224 676 HB3 PRO 80 HB3 PRO 80 15.258 1.187 1.816 677 HG2 PRO 80 HG2 PRO 80 12.711 0.450 1.586 678 HG3 PRO 80 HG3 PRO 80 13.935 -0.683 2.186 679 HD2 PRO 80 HD2 PRO 80 11.787 0.736 3.660 680 HD3 PRO 80 HD3 PRO 80 12.556 -0.823 4.009 681 H GLU 81 H GLU 81 16.536 1.966 5.706 682 HA GLU 81 HA GLU 81 15.857 4.543 6.392 683 HB2 GLU 81 HB2 GLU 81 17.460 3.176 7.644 684 HB3 GLU 81 HB3 GLU 81 18.625 3.330 6.334 685 HG2 GLU 81 HG2 GLU 81 18.726 5.742 6.704 686 HG3 GLU 81 HG3 GLU 81 17.559 5.587 8.018 687 H SER 82 H SER 82 17.554 3.435 3.571 688 HA SER 82 HA SER 82 18.859 5.796 2.817 689 HB2 SER 82 HB2 SER 82 18.573 4.836 0.448 690 HB3 SER 82 HB3 SER 82 19.444 3.844 1.618 691 HG SER 82 HG SER 82 17.924 2.398 1.500 692 H LEU 83 H LEU 83 15.543 4.716 2.351 693 HA LEU 83 HA LEU 83 14.836 6.967 0.696 694 HB2 LEU 83 HB2 LEU 83 13.265 4.748 1.984 695 HB3 LEU 83 HB3 LEU 83 12.476 6.070 1.147 696 HG LEU 83 HG LEU 83 14.495 4.235 -0.139 697 HD11 LEU 83 HD11 LEU 83 11.583 3.977 0.284 698 HD12 LEU 83 HD12 LEU 83 12.818 2.735 0.071 699 HD13 LEU 83 HD13 LEU 83 12.185 3.599 -1.331 700 HD21 LEU 83 HD21 LEU 83 14.519 6.007 -1.545 701 HD22 LEU 83 HD22 LEU 83 12.943 6.593 -1.011 702 HD23 LEU 83 HD23 LEU 83 13.045 5.248 -2.147 703 H SER 84 H SER 84 14.818 6.184 4.080 704 HA SER 84 HA SER 84 12.908 7.936 5.066 705 HB2 SER 84 HB2 SER 84 14.393 6.189 6.297 706 HB3 SER 84 HB3 SER 84 15.520 7.530 6.497 707 HG SER 84 HG SER 84 13.449 6.986 7.988 708 H ARG 85 H ARG 85 16.214 8.562 4.041 709 HA ARG 85 HA ARG 85 16.514 11.143 5.072 710 HB2 ARG 85 HB2 ARG 85 17.736 9.643 2.794 711 HB3 ARG 85 HB3 ARG 85 18.039 11.370 2.930 712 HG2 ARG 85 HG2 ARG 85 19.292 11.144 4.822 713 HG3 ARG 85 HG3 ARG 85 18.449 9.684 5.340 714 HD2 ARG 85 HD2 ARG 85 19.722 9.083 2.891 715 HD3 ARG 85 HD3 ARG 85 20.899 9.934 3.889 716 HE ARG 85 HE ARG 85 19.913 7.287 4.285 717 HH11 ARG 85 HH11 ARG 85 21.111 10.109 5.953 718 HH12 ARG 85 HH12 ARG 85 21.678 9.213 7.322 719 HH21 ARG 85 HH21 ARG 85 20.657 6.107 6.084 720 HH22 ARG 85 HH22 ARG 85 21.421 6.942 7.397 721 H LYS 86 H LYS 86 15.040 10.001 2.079 722 HA LYS 86 HA LYS 86 14.522 12.665 1.107 723 HB2 LYS 86 HB2 LYS 86 13.191 10.171 0.080 724 HB3 LYS 86 HB3 LYS 86 13.582 11.645 -0.794 725 HG2 LYS 86 HG2 LYS 86 15.553 9.602 0.208 726 HG3 LYS 86 HG3 LYS 86 15.034 9.824 -1.464 727 HD2 LYS 86 HD2 LYS 86 16.038 12.262 -0.187 728 HD3 LYS 86 HD3 LYS 86 17.239 10.976 -0.327 729 HE2 LYS 86 HE2 LYS 86 17.554 11.656 -2.426 730 HE3 LYS 86 HE3 LYS 86 15.967 10.979 -2.789 731 HZ1 LYS 86 HZ1 LYS 86 15.096 13.241 -2.023 732 HZ2 LYS 86 HZ2 LYS 86 15.839 13.155 -3.541 733 HZ3 LYS 86 HZ3 LYS 86 16.686 13.784 -2.218 734 H ILE 87 H ILE 87 12.615 10.022 2.502 735 HA ILE 87 HA ILE 87 10.118 11.313 2.380 736 HB ILE 87 HB ILE 87 10.994 9.257 4.412 737 HG12 ILE 87 HG12 ILE 87 9.557 8.695 1.823 738 HG13 ILE 87 HG13 ILE 87 11.315 8.690 1.921 739 HG21 ILE 87 HG21 ILE 87 8.421 10.515 3.724 740 HG22 ILE 87 HG22 ILE 87 8.968 9.799 5.239 741 HG23 ILE 87 HG23 ILE 87 8.386 8.765 3.936 742 HD11 ILE 87 HD11 ILE 87 11.276 6.613 2.665 743 HD12 ILE 87 HD12 ILE 87 9.518 6.608 2.528 744 HD13 ILE 87 HD13 ILE 87 10.282 7.099 4.039 745 H GLY 88 H GLY 88 12.732 11.415 4.711 746 HA2 GLY 88 HA2 GLY 88 11.409 12.558 6.884 747 HA3 GLY 88 HA3 GLY 88 13.115 12.760 6.523 748 H THR 89 H THR 89 12.486 14.044 3.902 749 HA THR 89 HA THR 89 12.252 16.718 4.936 750 HB THR 89 HB THR 89 13.844 16.067 3.114 751 HG1 THR 89 HG1 THR 89 13.357 18.229 3.381 752 HG21 THR 89 HG21 THR 89 13.176 15.093 1.253 753 HG22 THR 89 HG22 THR 89 12.171 16.493 0.880 754 HG23 THR 89 HG23 THR 89 11.503 15.151 1.805 755 H VAL 90 H VAL 90 10.226 14.515 3.089 756 HA VAL 90 HA VAL 90 8.249 16.538 2.519 757 HB VAL 90 HB VAL 90 8.591 14.638 0.985 758 HG11 VAL 90 HG11 VAL 90 7.654 12.425 1.608 759 HG12 VAL 90 HG12 VAL 90 7.484 13.008 3.264 760 HG13 VAL 90 HG13 VAL 90 9.084 12.876 2.535 761 HG21 VAL 90 HG21 VAL 90 6.455 15.856 1.035 762 HG22 VAL 90 HG22 VAL 90 5.831 14.687 2.201 763 HG23 VAL 90 HG23 VAL 90 6.250 14.168 0.569 764 H VAL 91 H VAL 91 8.691 13.965 4.880 765 HA VAL 91 HA VAL 91 6.127 13.902 5.980 766 HB VAL 91 HB VAL 91 8.745 13.504 7.441 767 HG11 VAL 91 HG11 VAL 91 7.228 13.598 9.157 768 HG12 VAL 91 HG12 VAL 91 7.127 11.887 8.738 769 HG13 VAL 91 HG13 VAL 91 5.897 13.011 8.161 770 HG21 VAL 91 HG21 VAL 91 7.669 12.036 5.311 771 HG22 VAL 91 HG22 VAL 91 7.340 11.088 6.761 772 HG23 VAL 91 HG23 VAL 91 8.993 11.568 6.377 773 H ARG 92 H ARG 92 8.658 16.255 6.288 774 HA ARG 92 HA ARG 92 7.970 17.478 8.696 775 HB2 ARG 92 HB2 ARG 92 9.642 18.057 6.439 776 HB3 ARG 92 HB3 ARG 92 8.762 19.512 6.888 777 HG2 ARG 92 HG2 ARG 92 9.680 19.537 9.045 778 HG3 ARG 92 HG3 ARG 92 10.243 17.870 8.913 779 HD2 ARG 92 HD2 ARG 92 12.210 18.623 8.211 780 HD3 ARG 92 HD3 ARG 92 11.419 19.286 6.783 781 HE ARG 92 HE ARG 92 10.994 21.169 8.695 782 HH11 ARG 92 HH11 ARG 92 13.840 19.580 7.447 783 HH12 ARG 92 HH12 ARG 92 14.879 20.932 7.746 784 HH21 ARG 92 HH21 ARG 92 12.360 22.948 9.090 785 HH22 ARG 92 HH22 ARG 92 14.038 22.844 8.680 786 H VAL 93 H VAL 93 6.732 18.018 5.428 787 HA VAL 93 HA VAL 93 4.919 20.092 6.272 788 HB VAL 93 HB VAL 93 5.012 18.599 3.646 789 HG11 VAL 93 HG11 VAL 93 4.018 21.031 3.058 790 HG12 VAL 93 HG12 VAL 93 3.371 20.818 4.685 791 HG13 VAL 93 HG13 VAL 93 3.014 19.628 3.433 792 HG21 VAL 93 HG21 VAL 93 6.579 20.874 4.724 793 HG22 VAL 93 HG22 VAL 93 6.063 20.965 3.040 794 HG23 VAL 93 HG23 VAL 93 7.049 19.609 3.587 795 H LEU 94 H LEU 94 4.795 16.639 5.836 796 HA LEU 94 HA LEU 94 1.955 16.680 6.606 797 HB2 LEU 94 HB2 LEU 94 2.377 16.115 4.181 798 HB3 LEU 94 HB3 LEU 94 3.197 14.669 4.739 799 HG LEU 94 HG LEU 94 0.987 14.168 5.979 800 HD11 LEU 94 HD11 LEU 94 0.291 16.520 4.379 801 HD12 LEU 94 HD12 LEU 94 -0.495 15.842 5.804 802 HD13 LEU 94 HD13 LEU 94 -0.822 15.163 4.210 803 HD21 LEU 94 HD21 LEU 94 1.759 13.791 3.167 804 HD22 LEU 94 HD22 LEU 94 0.057 13.500 3.527 805 HD23 LEU 94 HD23 LEU 94 1.308 12.604 4.391 806 HA PRO 95 HA PRO 95 4.510 13.839 9.330 807 HB2 PRO 95 HB2 PRO 95 4.734 15.304 11.552 808 HB3 PRO 95 HB3 PRO 95 5.830 15.546 10.184 809 HG2 PRO 95 HG2 PRO 95 3.438 17.145 11.000 810 HG3 PRO 95 HG3 PRO 95 5.014 17.707 10.418 811 HD2 PRO 95 HD2 PRO 95 2.753 17.488 8.850 812 HD3 PRO 95 HD3 PRO 95 4.413 17.474 8.230 813 H SER 96 H SER 96 1.488 15.302 9.307 814 HA SER 96 HA SER 96 0.577 13.873 11.702 815 HB2 SER 96 HB2 SER 96 0.043 16.317 11.450 816 HB3 SER 96 HB3 SER 96 -0.961 15.894 10.064 817 HG SER 96 HG SER 96 -1.533 15.736 12.692 818 H SER 97 H SER 97 0.043 14.155 8.224 819 HA SER 97 HA SER 97 -2.202 12.428 8.107 820 HB2 SER 97 HB2 SER 97 -1.276 14.060 6.312 821 HB3 SER 97 HB3 SER 97 -0.244 12.708 5.848 822 HG SER 97 HG SER 97 -2.067 12.525 4.638 823 H LEU 98 H LEU 98 1.263 11.863 7.612 824 HA LEU 98 HA LEU 98 1.314 9.257 6.819 825 HB2 LEU 98 HB2 LEU 98 3.158 11.077 7.819 826 HB3 LEU 98 HB3 LEU 98 3.274 9.714 8.916 827 HG LEU 98 HG LEU 98 3.304 9.069 6.026 828 HD11 LEU 98 HD11 LEU 98 5.772 9.551 5.971 829 HD12 LEU 98 HD12 LEU 98 5.531 10.540 7.413 830 HD13 LEU 98 HD13 LEU 98 4.718 10.964 5.906 831 HD21 LEU 98 HD21 LEU 98 5.318 8.093 7.959 832 HD22 LEU 98 HD22 LEU 98 4.425 7.224 6.711 833 HD23 LEU 98 HD23 LEU 98 3.644 7.616 8.242 834 H GLU 99 H GLU 99 0.483 10.463 9.986 835 HA GLU 99 HA GLU 99 0.794 8.147 11.508 836 HB2 GLU 99 HB2 GLU 99 -1.160 10.432 11.731 837 HB3 GLU 99 HB3 GLU 99 -1.079 9.140 12.920 838 HG2 GLU 99 HG2 GLU 99 1.526 10.287 12.364 839 HG3 GLU 99 HG3 GLU 99 0.368 11.487 12.936 840 H ILE 100 H ILE 100 -1.816 9.157 9.378 841 HA ILE 100 HA ILE 100 -3.583 7.025 10.101 842 HB ILE 100 HB ILE 100 -3.624 8.720 7.601 843 HG12 ILE 100 HG12 ILE 100 -5.612 9.604 9.348 844 HG13 ILE 100 HG13 ILE 100 -4.205 9.361 10.379 845 HG21 ILE 100 HG21 ILE 100 -5.194 7.213 7.044 846 HG22 ILE 100 HG22 ILE 100 -6.206 8.110 8.175 847 HG23 ILE 100 HG23 ILE 100 -5.382 6.642 8.701 848 HD11 ILE 100 HD11 ILE 100 -4.711 11.627 9.040 849 HD12 ILE 100 HD12 ILE 100 -3.705 10.788 7.859 850 HD13 ILE 100 HD13 ILE 100 -3.090 11.092 9.484 851 H PHE 101 H PHE 101 -1.119 7.521 7.658 852 HA PHE 101 HA PHE 101 -1.782 5.209 6.115 853 HB2 PHE 101 HB2 PHE 101 0.701 6.928 6.213 854 HB3 PHE 101 HB3 PHE 101 0.474 5.605 5.076 855 HD1 PHE 101 HD1 PHE 101 -0.720 8.936 6.079 856 HD2 PHE 101 HD2 PHE 101 -0.924 5.839 3.166 857 HE1 PHE 101 HE1 PHE 101 -1.887 10.463 4.543 858 HE2 PHE 101 HE2 PHE 101 -2.090 7.360 1.624 859 HZ PHE 101 HZ PHE 101 -2.575 9.676 2.314 860 H GLU 102 H GLU 102 0.267 5.858 8.865 861 HA GLU 102 HA GLU 102 1.907 3.591 8.771 862 HB2 GLU 102 HB2 GLU 102 2.368 5.441 10.281 863 HB3 GLU 102 HB3 GLU 102 0.876 5.135 11.158 864 HG2 GLU 102 HG2 GLU 102 2.525 2.772 11.062 865 HG3 GLU 102 HG3 GLU 102 3.407 4.142 11.735 866 H GLU 103 H GLU 103 -1.205 4.098 10.417 867 HA GLU 103 HA GLU 103 -1.377 1.404 11.343 868 HB2 GLU 103 HB2 GLU 103 -2.694 3.764 11.912 869 HB3 GLU 103 HB3 GLU 103 -3.923 2.822 11.079 870 HG2 GLU 103 HG2 GLU 103 -2.551 1.191 13.003 871 HG3 GLU 103 HG3 GLU 103 -3.165 2.658 13.763 872 H LEU 104 H LEU 104 -2.047 2.953 8.363 873 HA LEU 104 HA LEU 104 -4.050 1.161 7.415 874 HB2 LEU 104 HB2 LEU 104 -3.249 3.566 6.599 875 HB3 LEU 104 HB3 LEU 104 -2.261 2.596 5.522 876 HG LEU 104 HG LEU 104 -5.272 2.599 5.703 877 HD11 LEU 104 HD11 LEU 104 -5.292 3.880 3.858 878 HD12 LEU 104 HD12 LEU 104 -3.886 3.079 3.159 879 HD13 LEU 104 HD13 LEU 104 -3.670 4.332 4.382 880 HD21 LEU 104 HD21 LEU 104 -4.827 1.102 3.564 881 HD22 LEU 104 HD22 LEU 104 -4.954 0.404 5.179 882 HD23 LEU 104 HD23 LEU 104 -3.367 0.688 4.466 883 H TYR 105 H TYR 105 -0.551 1.460 6.799 884 HA TYR 105 HA TYR 105 -0.365 -0.765 5.094 885 HB2 TYR 105 HB2 TYR 105 1.964 -0.519 5.219 886 HB3 TYR 105 HB3 TYR 105 1.353 1.106 5.495 887 HD1 TYR 105 HD1 TYR 105 2.447 -1.924 7.397 888 HD2 TYR 105 HD2 TYR 105 2.175 2.319 7.279 889 HE1 TYR 105 HE1 TYR 105 3.755 -1.789 9.475 890 HE2 TYR 105 HE2 TYR 105 3.484 2.467 9.354 891 HH TYR 105 HH TYR 105 3.953 0.952 11.349 892 H LYS 106 H LYS 106 -0.471 -0.505 8.557 893 HA LYS 106 HA LYS 106 0.507 -3.156 9.062 894 HB2 LYS 106 HB2 LYS 106 -0.923 -1.146 10.805 895 HB3 LYS 106 HB3 LYS 106 -0.371 -2.712 11.385 896 HG2 LYS 106 HG2 LYS 106 1.940 -2.073 10.726 897 HG3 LYS 106 HG3 LYS 106 1.330 -0.466 10.330 898 HD2 LYS 106 HD2 LYS 106 1.958 -0.050 12.471 899 HD3 LYS 106 HD3 LYS 106 0.347 -0.691 12.805 900 HE2 LYS 106 HE2 LYS 106 2.983 -2.134 12.979 901 HE3 LYS 106 HE3 LYS 106 1.865 -1.769 14.291 902 HZ1 LYS 106 HZ1 LYS 106 1.308 -3.605 12.023 903 HZ2 LYS 106 HZ2 LYS 106 0.260 -3.272 13.309 904 HZ3 LYS 106 HZ3 LYS 106 1.716 -4.083 13.593 905 H TYR 107 H TYR 107 -2.612 -1.655 8.571 906 HA TYR 107 HA TYR 107 -4.205 -3.792 9.527 907 HB2 TYR 107 HB2 TYR 107 -5.175 -1.597 9.289 908 HB3 TYR 107 HB3 TYR 107 -4.805 -1.568 7.568 909 HD1 TYR 107 HD1 TYR 107 -6.132 -2.888 5.990 910 HD2 TYR 107 HD2 TYR 107 -7.083 -2.811 10.136 911 HE1 TYR 107 HE1 TYR 107 -8.347 -3.834 5.494 912 HE2 TYR 107 HE2 TYR 107 -9.300 -3.758 9.652 913 HH TYR 107 HH TYR 107 -10.107 -5.310 7.038 914 H ALA 108 H ALA 108 -3.201 -2.861 6.241 915 HA ALA 108 HA ALA 108 -4.425 -5.077 4.967 916 HB1 ALA 108 HB1 ALA 108 -2.263 -4.202 3.382 917 HB2 ALA 108 HB2 ALA 108 -2.921 -2.777 4.187 918 HB3 ALA 108 HB3 ALA 108 -3.972 -3.802 3.210 919 H LEU 109 H LEU 109 -1.325 -4.588 6.489 920 HA LEU 109 HA LEU 109 0.049 -6.775 5.360 921 HB2 LEU 109 HB2 LEU 109 0.480 -4.838 7.451 922 HB3 LEU 109 HB3 LEU 109 1.001 -6.425 7.981 923 HG LEU 109 HG LEU 109 1.910 -5.641 5.286 924 HD11 LEU 109 HD11 LEU 109 2.341 -3.528 6.088 925 HD12 LEU 109 HD12 LEU 109 3.834 -4.371 6.499 926 HD13 LEU 109 HD13 LEU 109 2.610 -4.091 7.737 927 HD21 LEU 109 HD21 LEU 109 3.686 -6.544 7.488 928 HD22 LEU 109 HD22 LEU 109 3.687 -6.981 5.780 929 HD23 LEU 109 HD23 LEU 109 2.489 -7.681 6.868 930 H ASN 110 H ASN 110 -2.224 -6.511 7.998 931 HA ASN 110 HA ASN 110 -1.718 -9.138 9.037 932 HB2 ASN 110 HB2 ASN 110 -3.700 -6.970 9.584 933 HB3 ASN 110 HB3 ASN 110 -4.061 -8.600 10.142 934 HD21 ASN 110 HD21 ASN 110 -3.963 -7.298 12.202 935 HD22 ASN 110 HD22 ASN 110 -2.434 -7.231 13.003 936 H GLU 111 H GLU 111 -3.907 -7.710 6.715 937 HA GLU 111 HA GLU 111 -5.760 -9.818 6.529 938 HB2 GLU 111 HB2 GLU 111 -4.902 -7.843 4.406 939 HB3 GLU 111 HB3 GLU 111 -6.338 -8.854 4.333 940 HG2 GLU 111 HG2 GLU 111 -6.635 -7.589 6.739 941 HG3 GLU 111 HG3 GLU 111 -5.873 -6.348 5.745 942 H ASN 112 H ASN 112 -2.605 -9.323 5.105 943 HA ASN 112 HA ASN 112 -2.819 -11.436 3.192 944 HB2 ASN 112 HB2 ASN 112 -1.031 -9.348 3.673 945 HB3 ASN 112 HB3 ASN 112 -0.092 -10.806 3.974 946 HD21 ASN 112 HD21 ASN 112 -0.441 -8.665 1.740 947 HD22 ASN 112 HD22 ASN 112 -0.408 -9.620 0.300 948 H SER 113 H SER 113 -1.711 -11.165 6.502 949 HA SER 113 HA SER 113 -0.989 -14.018 6.482 950 HB2 SER 113 HB2 SER 113 -0.249 -11.922 8.538 951 HB3 SER 113 HB3 SER 113 0.348 -13.580 8.463 952 HG SER 113 HG SER 113 0.741 -11.632 6.435 953 H ASN 114 H ASN 114 -3.185 -14.691 6.639 954 HA ASN 114 HA ASN 114 -4.573 -14.009 9.126 955 HB2 ASN 114 HB2 ASN 114 -5.768 -13.886 6.908 956 HB3 ASN 114 HB3 ASN 114 -5.624 -15.640 6.809 957 HD21 ASN 114 HD21 ASN 114 -6.612 -13.198 9.194 958 HD22 ASN 114 HD22 ASN 114 -8.041 -14.028 9.701 959 H ASP 115 H ASP 115 -2.237 -15.701 9.172 960 HA ASP 115 HA ASP 115 -3.184 -17.761 10.846 961 HB2 ASP 115 HB2 ASP 115 -2.806 -18.430 7.993 962 HB3 ASP 115 HB3 ASP 115 -2.047 -19.537 9.132 963 H ARG 116 H ARG 116 -1.576 -16.713 12.110 964 HA ARG 116 HA ARG 116 1.176 -16.747 11.284 965 HB2 ARG 116 HB2 ARG 116 -0.368 -15.750 13.587 966 HB3 ARG 116 HB3 ARG 116 1.264 -16.278 13.971 967 HG2 ARG 116 HG2 ARG 116 0.731 -14.394 11.705 968 HG3 ARG 116 HG3 ARG 116 0.898 -13.822 13.366 969 HD2 ARG 116 HD2 ARG 116 3.121 -14.521 13.509 970 HD3 ARG 116 HD3 ARG 116 2.965 -15.606 12.129 971 HE ARG 116 HE ARG 116 2.583 -12.833 11.471 972 HH11 ARG 116 HH11 ARG 116 4.936 -15.377 11.892 973 HH12 ARG 116 HH12 ARG 116 6.114 -14.627 10.869 974 HH21 ARG 116 HH21 ARG 116 4.132 -11.846 10.123 975 HH22 ARG 116 HH22 ARG 116 5.658 -12.622 9.865 976 H SER 117 H SER 117 1.078 -19.123 10.827 977 HA SER 117 HA SER 117 2.074 -20.566 13.163 978 HB2 SER 117 HB2 SER 117 -0.361 -21.254 11.604 979 HB3 SER 117 HB3 SER 117 0.704 -22.588 12.048 980 HG SER 117 HG SER 117 -1.092 -21.666 13.560 981 H GLU 118 H GLU 118 4.102 -20.966 12.539 982 HA GLU 118 HA GLU 118 4.863 -21.360 9.822 983 HB2 GLU 118 HB2 GLU 118 6.203 -20.613 12.049 984 HB3 GLU 118 HB3 GLU 118 6.686 -22.300 11.954 985 HG2 GLU 118 HG2 GLU 118 7.006 -21.427 9.371 986 HG3 GLU 118 HG3 GLU 118 7.489 -20.028 10.329 987 H HIS 119 H HIS 119 6.137 -23.315 9.134 988 HA HIS 119 HA HIS 119 4.504 -25.622 9.348 989 HB2 HIS 119 HB2 HIS 119 7.045 -24.914 7.979 990 HB3 HIS 119 HB3 HIS 119 6.732 -26.627 8.239 991 HD1 HIS 119 HD1 HIS 119 5.614 -27.670 6.311 992 HD2 HIS 119 HD2 HIS 119 4.537 -23.678 6.732 993 HE1 HIS 119 HE1 HIS 119 4.036 -27.195 4.409 994 HE2 HIS 119 HE2 HIS 119 3.328 -24.800 4.739 995 H HIS 120 H HIS 120 4.407 -26.938 11.034 996 HA HIS 120 HA HIS 120 6.885 -27.492 12.528 997 HB2 HIS 120 HB2 HIS 120 4.403 -26.438 13.474 998 HB3 HIS 120 HB3 HIS 120 4.623 -28.040 14.169 999 HD1 HIS 120 HD1 HIS 120 7.259 -28.312 15.167 1000 HD2 HIS 120 HD2 HIS 120 5.535 -24.535 15.006 1001 HE1 HIS 120 HE1 HIS 120 8.567 -26.906 16.791 1002 HE2 HIS 120 HE2 HIS 120 7.451 -24.648 16.740 1003 H LYS 121 H LYS 121 3.779 -28.772 11.424 1004 HA LYS 121 HA LYS 121 4.490 -31.473 12.185 1005 HB2 LYS 121 HB2 LYS 121 2.148 -30.590 12.314 1006 HB3 LYS 121 HB3 LYS 121 2.124 -30.532 10.557 1007 HG2 LYS 121 HG2 LYS 121 2.204 -32.865 10.367 1008 HG3 LYS 121 HG3 LYS 121 2.708 -33.069 12.047 1009 HD2 LYS 121 HD2 LYS 121 0.487 -32.122 12.729 1010 HD3 LYS 121 HD3 LYS 121 0.008 -32.190 11.031 1011 HE2 LYS 121 HE2 LYS 121 0.652 -34.661 11.137 1012 HE3 LYS 121 HE3 LYS 121 0.664 -34.459 12.887 1013 HZ1 LYS 121 HZ1 LYS 121 -1.698 -33.491 11.492 1014 HZ2 LYS 121 HZ2 LYS 121 -1.570 -34.295 12.975 1015 HZ3 LYS 121 HZ3 LYS 121 -1.492 -35.170 11.529 1016 H LYS 122 H LYS 122 6.476 -30.827 10.623 1017 HA LYS 122 HA LYS 122 5.915 -31.438 7.849 1018 HB2 LYS 122 HB2 LYS 122 8.015 -30.140 9.286 1019 HB3 LYS 122 HB3 LYS 122 8.713 -31.460 8.359 1020 HG2 LYS 122 HG2 LYS 122 7.674 -30.577 6.325 1021 HG3 LYS 122 HG3 LYS 122 6.996 -29.243 7.263 1022 HD2 LYS 122 HD2 LYS 122 8.925 -28.329 6.319 1023 HD3 LYS 122 HD3 LYS 122 9.428 -28.766 7.952 1024 HE2 LYS 122 HE2 LYS 122 10.291 -30.921 7.013 1025 HE3 LYS 122 HE3 LYS 122 9.957 -30.283 5.404 1026 HZ1 LYS 122 HZ1 LYS 122 12.275 -29.965 6.077 1027 HZ2 LYS 122 HZ2 LYS 122 11.772 -29.022 7.389 1028 HZ3 LYS 122 HZ3 LYS 122 11.495 -28.488 5.809 1029 HA PRO 123 HA PRO 123 8.397 -35.381 8.837 1030 HB2 PRO 123 HB2 PRO 123 9.540 -35.759 11.225 1031 HB3 PRO 123 HB3 PRO 123 10.290 -34.724 10.003 1032 HG2 PRO 123 HG2 PRO 123 8.680 -33.957 12.405 1033 HG3 PRO 123 HG3 PRO 123 10.164 -33.223 11.772 1034 HD2 PRO 123 HD2 PRO 123 7.634 -32.236 11.328 1035 HD3 PRO 123 HD3 PRO 123 9.024 -31.941 10.264 1036 H ARG 124 H ARG 124 5.724 -35.217 9.170 1037 HA ARG 124 HA ARG 124 4.771 -36.321 11.612 1038 HB2 ARG 124 HB2 ARG 124 2.667 -36.707 10.329 1039 HB3 ARG 124 HB3 ARG 124 3.260 -35.055 10.237 1040 HG2 ARG 124 HG2 ARG 124 4.432 -36.247 8.057 1041 HG3 ARG 124 HG3 ARG 124 2.844 -37.013 8.128 1042 HD2 ARG 124 HD2 ARG 124 1.731 -34.931 7.992 1043 HD3 ARG 124 HD3 ARG 124 3.216 -34.034 8.300 1044 HE ARG 124 HE ARG 124 3.304 -35.633 5.913 1045 HH11 ARG 124 HH11 ARG 124 2.385 -32.547 7.259 1046 HH12 ARG 124 HH12 ARG 124 2.482 -31.716 5.744 1047 HH21 ARG 124 HH21 ARG 124 3.434 -34.542 3.918 1048 HH22 ARG 124 HH22 ARG 124 3.078 -32.848 3.846 1049 H ILE 125 H ILE 125 5.324 -38.284 12.286 1050 HA ILE 125 HA ILE 125 4.712 -40.591 10.701 1051 HB ILE 125 HB ILE 125 6.919 -40.043 9.775 1052 HG12 ILE 125 HG12 ILE 125 7.586 -42.408 11.417 1053 HG13 ILE 125 HG13 ILE 125 6.039 -42.483 10.581 1054 HG21 ILE 125 HG21 ILE 125 8.214 -40.650 12.392 1055 HG22 ILE 125 HG22 ILE 125 7.632 -39.017 12.067 1056 HG23 ILE 125 HG23 ILE 125 8.837 -39.751 11.009 1057 HD11 ILE 125 HD11 ILE 125 7.045 -42.335 8.477 1058 HD12 ILE 125 HD12 ILE 125 8.065 -43.446 9.394 1059 HD13 ILE 125 HD13 ILE 125 8.575 -41.774 9.154 1060 H ASP 126 H ASP 126 4.181 -42.256 11.988 1061 HA ASP 126 HA ASP 126 4.549 -41.917 14.862 1062 HB2 ASP 126 HB2 ASP 126 2.929 -43.851 14.992 1063 HB3 ASP 126 HB3 ASP 126 2.296 -42.394 14.232 1064 H ASP 127 H ASP 127 5.714 -43.833 12.238 1065 HA ASP 127 HA ASP 127 7.345 -45.411 12.106 1066 HB2 ASP 127 HB2 ASP 127 8.109 -43.846 14.242 1067 HB3 ASP 127 HB3 ASP 127 8.095 -45.461 14.941 1068 H SER 128 H SER 128 6.646 -47.406 11.782 1069 HA SER 128 HA SER 128 5.633 -48.934 14.081 1070 HB2 SER 128 HB2 SER 128 4.457 -49.452 11.385 1071 HB3 SER 128 HB3 SER 128 3.741 -49.667 12.982 1072 HG SER 128 HG SER 128 3.802 -47.276 13.068 1073 H SER 129 H SER 129 5.621 -51.330 13.610 1074 HA SER 129 HA SER 129 8.173 -52.022 12.388 1075 HB2 SER 129 HB2 SER 129 7.888 -54.190 13.505 1076 HB3 SER 129 HB3 SER 129 7.673 -52.865 14.649 1077 HG SER 129 HG SER 129 5.889 -53.915 15.073 1078 H ASP 130 H ASP 130 7.758 -51.960 10.191 1079 HA ASP 130 HA ASP 130 5.522 -53.332 9.029 1080 HB2 ASP 130 HB2 ASP 130 7.095 -51.316 8.159 1081 HB3 ASP 130 HB3 ASP 130 7.854 -52.670 7.327 1082 H LEU 131 H LEU 131 6.221 -54.800 7.007 1083 HA LEU 131 HA LEU 131 7.335 -57.163 8.194 1084 HB2 LEU 131 HB2 LEU 131 6.097 -56.468 5.570 1085 HB3 LEU 131 HB3 LEU 131 7.055 -57.933 5.681 1086 HG LEU 131 HG LEU 131 5.359 -58.084 7.878 1087 HD11 LEU 131 HD11 LEU 131 3.120 -57.885 6.593 1088 HD12 LEU 131 HD12 LEU 131 4.008 -56.764 5.562 1089 HD13 LEU 131 HD13 LEU 131 3.848 -56.439 7.288 1090 HD21 LEU 131 HD21 LEU 131 6.141 -59.699 5.891 1091 HD22 LEU 131 HD22 LEU 131 4.489 -59.373 5.365 1092 HD23 LEU 131 HD23 LEU 131 4.785 -60.070 6.958 1093 H LEU 132 H LEU 132 8.361 -54.816 5.771 1094 HA LEU 132 HA LEU 132 10.826 -56.248 5.247 1095 HB2 LEU 132 HB2 LEU 132 10.046 -53.489 4.314 1096 HB3 LEU 132 HB3 LEU 132 11.295 -54.521 3.644 1097 HG LEU 132 HG LEU 132 8.347 -55.164 3.567 1098 HD11 LEU 132 HD11 LEU 132 10.149 -53.806 1.590 1099 HD12 LEU 132 HD12 LEU 132 8.571 -53.291 2.183 1100 HD13 LEU 132 HD13 LEU 132 8.694 -54.668 1.089 1101 HD21 LEU 132 HD21 LEU 132 10.590 -56.379 1.972 1102 HD22 LEU 132 HD22 LEU 132 8.924 -56.941 2.119 1103 HD23 LEU 132 HD23 LEU 132 10.020 -57.056 3.497 1104 H LYS 133 H LYS 133 12.640 -55.998 6.362 1105 HA LYS 133 HA LYS 133 12.955 -53.565 7.996 1106 HB2 LYS 133 HB2 LYS 133 12.932 -56.258 8.808 1107 HB3 LYS 133 HB3 LYS 133 14.614 -55.751 8.890 1108 HG2 LYS 133 HG2 LYS 133 13.338 -53.643 10.059 1109 HG3 LYS 133 HG3 LYS 133 12.339 -55.007 10.564 1110 HD2 LYS 133 HD2 LYS 133 15.262 -55.388 10.763 1111 HD3 LYS 133 HD3 LYS 133 14.551 -54.217 11.875 1112 HE2 LYS 133 HE2 LYS 133 13.216 -55.813 12.905 1113 HE3 LYS 133 HE3 LYS 133 13.321 -56.922 11.539 1114 HZ1 LYS 133 HZ1 LYS 133 15.153 -56.543 13.762 1115 HZ2 LYS 133 HZ2 LYS 133 15.870 -56.805 12.253 1116 HZ3 LYS 133 HZ3 LYS 133 14.790 -57.942 12.884 1117 H THR 134 H THR 134 14.940 -52.542 8.030 1118 HA THR 134 HA THR 134 16.809 -53.387 5.921 1119 HB THR 134 HB THR 134 17.550 -51.025 5.883 1120 HG1 THR 134 HG1 THR 134 16.358 -49.504 7.054 1121 HG21 THR 134 HG21 THR 134 15.692 -51.772 4.406 1122 HG22 THR 134 HG22 THR 134 15.671 -50.054 4.804 1123 HG23 THR 134 HG23 THR 134 14.562 -51.160 5.613 1124 H ASP 135 H ASP 135 16.910 -54.593 8.471 1125 HA ASP 135 HA ASP 135 18.424 -55.202 10.053 1126 HB2 ASP 135 HB2 ASP 135 19.933 -54.629 7.868 1127 HB3 ASP 135 HB3 ASP 135 20.611 -53.497 9.034 1128 H GLU 136 H GLU 136 18.522 -54.524 12.090 1129 HA GLU 136 HA GLU 136 17.930 -51.841 12.788 1130 HB2 GLU 136 HB2 GLU 136 17.680 -54.192 14.076 1131 HB3 GLU 136 HB3 GLU 136 19.160 -53.610 14.825 1132 HG2 GLU 136 HG2 GLU 136 18.113 -51.780 15.780 1133 HG3 GLU 136 HG3 GLU 136 16.760 -51.842 14.653 1134 H ILE 137 H ILE 137 19.252 -50.435 14.136 1135 HA ILE 137 HA ILE 137 22.144 -50.822 13.857 1136 HB ILE 137 HB ILE 137 22.415 -48.438 13.206 1137 HG12 ILE 137 HG12 ILE 137 20.099 -47.694 12.000 1138 HG13 ILE 137 HG13 ILE 137 19.466 -48.552 13.402 1139 HG21 ILE 137 HG21 ILE 137 22.593 -50.151 11.523 1140 HG22 ILE 137 HG22 ILE 137 21.756 -48.755 10.843 1141 HG23 ILE 137 HG23 ILE 137 20.841 -50.185 11.322 1142 HD11 ILE 137 HD11 ILE 137 19.612 -46.376 14.146 1143 HD12 ILE 137 HD12 ILE 137 21.127 -46.075 13.294 1144 HD13 ILE 137 HD13 ILE 137 21.114 -47.083 14.742 Start of MODEL 7 1 H1 GLY -2 H1 GLY -2 -6.877 -5.117 -15.990 2 H2 GLY -2 H2 GLY -2 -5.831 -5.523 -14.724 3 H3 GLY -2 H3 GLY -2 -6.056 -3.900 -15.149 4 HA2 GLY -2 HA2 GLY -2 -8.495 -4.255 -14.581 5 HA3 GLY -2 HA3 GLY -2 -7.945 -5.725 -13.793 6 H HIS -1 H HIS -1 -5.372 -4.427 -13.050 7 HA HIS -1 HA HIS -1 -6.370 -3.104 -10.648 8 HB2 HIS -1 HB2 HIS -1 -3.548 -3.973 -11.299 9 HB3 HIS -1 HB3 HIS -1 -4.156 -3.472 -9.726 10 HD1 HIS -1 HD1 HIS -1 -3.717 -6.403 -11.860 11 HD2 HIS -1 HD2 HIS -1 -6.051 -5.363 -8.584 12 HE1 HIS -1 HE1 HIS -1 -4.579 -8.576 -10.933 13 HE2 HIS -1 HE2 HIS -1 -5.919 -7.926 -8.900 14 H MET 0 H MET 0 -3.625 -2.580 -12.871 15 HA MET 0 HA MET 0 -2.645 -0.684 -13.657 16 HB2 MET 0 HB2 MET 0 -5.505 0.089 -13.366 17 HB3 MET 0 HB3 MET 0 -4.341 1.379 -13.625 18 HG2 MET 0 HG2 MET 0 -4.813 0.941 -15.783 19 HG3 MET 0 HG3 MET 0 -3.553 -0.270 -15.560 20 HE1 MET 0 HE1 MET 0 -5.015 -1.179 -17.978 21 HE2 MET 0 HE2 MET 0 -5.456 -2.815 -17.487 22 HE3 MET 0 HE3 MET 0 -3.909 -2.132 -16.989 23 H MET 1 H MET 1 -2.158 1.690 -13.053 24 HA MET 1 HA MET 1 -1.853 1.809 -10.127 25 HB2 MET 1 HB2 MET 1 -0.126 2.730 -12.396 26 HB3 MET 1 HB3 MET 1 -0.001 3.521 -10.831 27 HG2 MET 1 HG2 MET 1 0.602 1.455 -9.772 28 HG3 MET 1 HG3 MET 1 0.317 0.561 -11.265 29 HE1 MET 1 HE1 MET 1 4.196 1.660 -9.818 30 HE2 MET 1 HE2 MET 1 2.666 1.273 -9.028 31 HE3 MET 1 HE3 MET 1 3.069 2.950 -9.394 32 H SER 2 H SER 2 -4.206 2.708 -11.585 33 HA SER 2 HA SER 2 -4.035 5.623 -11.317 34 HB2 SER 2 HB2 SER 2 -4.977 4.757 -13.423 35 HB3 SER 2 HB3 SER 2 -6.229 3.911 -12.514 36 HG SER 2 HG SER 2 -5.833 6.714 -12.396 37 H LYS 3 H LYS 3 -4.233 6.057 -9.173 38 HA LYS 3 HA LYS 3 -5.220 6.350 -7.145 39 HB2 LYS 3 HB2 LYS 3 -7.544 5.900 -8.962 40 HB3 LYS 3 HB3 LYS 3 -7.833 5.892 -7.227 41 HG2 LYS 3 HG2 LYS 3 -8.246 8.090 -8.085 42 HG3 LYS 3 HG3 LYS 3 -6.795 8.130 -7.083 43 HD2 LYS 3 HD2 LYS 3 -5.581 8.889 -8.786 44 HD3 LYS 3 HD3 LYS 3 -6.091 7.542 -9.804 45 HE2 LYS 3 HE2 LYS 3 -8.121 9.624 -9.410 46 HE3 LYS 3 HE3 LYS 3 -6.680 10.155 -10.276 47 HZ1 LYS 3 HZ1 LYS 3 -7.171 8.888 -12.049 48 HZ2 LYS 3 HZ2 LYS 3 -8.752 8.982 -11.453 49 HZ3 LYS 3 HZ3 LYS 3 -7.804 7.618 -11.128 50 H LEU 4 H LEU 4 -3.935 3.975 -7.413 51 HA LEU 4 HA LEU 4 -5.714 1.893 -6.398 52 HB2 LEU 4 HB2 LEU 4 -3.251 1.943 -7.898 53 HB3 LEU 4 HB3 LEU 4 -3.076 0.930 -6.478 54 HG LEU 4 HG LEU 4 -3.771 -0.325 -8.493 55 HD11 LEU 4 HD11 LEU 4 -4.301 -1.303 -6.397 56 HD12 LEU 4 HD12 LEU 4 -5.732 -1.465 -7.415 57 HD13 LEU 4 HD13 LEU 4 -5.674 -0.223 -6.165 58 HD21 LEU 4 HD21 LEU 4 -6.217 1.421 -8.277 59 HD22 LEU 4 HD22 LEU 4 -6.149 -0.068 -9.220 60 HD23 LEU 4 HD23 LEU 4 -5.103 1.290 -9.638 61 H PHE 5 H PHE 5 -6.095 2.890 -4.348 62 HA PHE 5 HA PHE 5 -4.494 1.919 -2.277 63 HB2 PHE 5 HB2 PHE 5 -3.688 4.140 -1.362 64 HB3 PHE 5 HB3 PHE 5 -2.837 3.550 -2.787 65 HD1 PHE 5 HD1 PHE 5 -3.066 4.659 -4.922 66 HD2 PHE 5 HD2 PHE 5 -5.117 6.084 -1.476 67 HE1 PHE 5 HE1 PHE 5 -3.522 6.784 -6.076 68 HE2 PHE 5 HE2 PHE 5 -5.578 8.209 -2.624 69 HZ PHE 5 HZ PHE 5 -4.780 8.562 -4.927 70 H LEU 6 H LEU 6 -6.732 4.447 -3.293 71 HA LEU 6 HA LEU 6 -7.948 4.697 -0.704 72 HB2 LEU 6 HB2 LEU 6 -7.874 6.255 -2.956 73 HB3 LEU 6 HB3 LEU 6 -9.502 5.604 -3.018 74 HG LEU 6 HG LEU 6 -9.256 6.426 -0.389 75 HD11 LEU 6 HD11 LEU 6 -7.133 7.618 -1.525 76 HD12 LEU 6 HD12 LEU 6 -8.055 8.324 -0.197 77 HD13 LEU 6 HD13 LEU 6 -8.376 8.825 -1.857 78 HD21 LEU 6 HD21 LEU 6 -10.742 8.283 -1.109 79 HD22 LEU 6 HD22 LEU 6 -11.241 6.700 -1.709 80 HD23 LEU 6 HD23 LEU 6 -10.422 7.833 -2.784 81 H ASP 7 H ASP 7 -8.347 2.619 -3.420 82 HA ASP 7 HA ASP 7 -11.020 1.797 -2.568 83 HB2 ASP 7 HB2 ASP 7 -9.417 1.520 -5.048 84 HB3 ASP 7 HB3 ASP 7 -10.499 0.184 -4.666 85 H GLU 8 H GLU 8 -8.676 1.247 -0.920 86 HA GLU 8 HA GLU 8 -8.976 -1.666 -0.774 87 HB2 GLU 8 HB2 GLU 8 -6.449 -0.131 -1.098 88 HB3 GLU 8 HB3 GLU 8 -6.425 -1.493 0.013 89 HG2 GLU 8 HG2 GLU 8 -7.635 -2.005 -2.621 90 HG3 GLU 8 HG3 GLU 8 -5.900 -1.686 -2.612 91 H LEU 9 H LEU 9 -10.207 0.465 0.722 92 HA LEU 9 HA LEU 9 -9.565 -0.457 3.376 93 HB2 LEU 9 HB2 LEU 9 -9.183 1.784 4.304 94 HB3 LEU 9 HB3 LEU 9 -7.936 1.316 3.165 95 HG LEU 9 HG LEU 9 -10.032 2.768 1.812 96 HD11 LEU 9 HD11 LEU 9 -9.559 4.966 2.876 97 HD12 LEU 9 HD12 LEU 9 -8.767 4.104 4.194 98 HD13 LEU 9 HD13 LEU 9 -10.486 3.860 3.889 99 HD21 LEU 9 HD21 LEU 9 -7.092 2.798 2.102 100 HD22 LEU 9 HD22 LEU 9 -7.852 4.304 1.591 101 HD23 LEU 9 HD23 LEU 9 -8.091 2.832 0.649 102 HA PRO 10 HA PRO 10 -13.823 0.132 4.308 103 HB2 PRO 10 HB2 PRO 10 -13.020 1.963 6.523 104 HB3 PRO 10 HB3 PRO 10 -14.081 0.549 6.561 105 HG2 PRO 10 HG2 PRO 10 -11.604 0.401 7.516 106 HG3 PRO 10 HG3 PRO 10 -12.306 -0.947 6.602 107 HD2 PRO 10 HD2 PRO 10 -10.287 1.078 5.750 108 HD3 PRO 10 HD3 PRO 10 -10.422 -0.637 5.311 109 H GLU 11 H GLU 11 -15.454 1.980 4.917 110 HA GLU 11 HA GLU 11 -14.954 4.142 3.019 111 HB2 GLU 11 HB2 GLU 11 -17.141 2.583 3.396 112 HB3 GLU 11 HB3 GLU 11 -17.570 3.974 4.380 113 HG2 GLU 11 HG2 GLU 11 -18.216 5.046 2.563 114 HG3 GLU 11 HG3 GLU 11 -16.566 4.971 1.943 115 H SER 12 H SER 12 -15.534 3.595 6.428 116 HA SER 12 HA SER 12 -16.056 6.251 7.194 117 HB2 SER 12 HB2 SER 12 -14.616 4.296 8.971 118 HB3 SER 12 HB3 SER 12 -15.809 5.518 9.410 119 HG SER 12 HG SER 12 -16.781 3.497 9.434 120 H LEU 13 H LEU 13 -13.030 4.425 6.942 121 HA LEU 13 HA LEU 13 -11.403 6.565 7.917 122 HB2 LEU 13 HB2 LEU 13 -10.895 3.910 6.646 123 HB3 LEU 13 HB3 LEU 13 -9.586 5.073 6.733 124 HG LEU 13 HG LEU 13 -11.093 4.439 9.229 125 HD11 LEU 13 HD11 LEU 13 -8.872 2.705 8.166 126 HD12 LEU 13 HD12 LEU 13 -10.579 2.262 8.135 127 HD13 LEU 13 HD13 LEU 13 -9.759 2.505 9.678 128 HD21 LEU 13 HD21 LEU 13 -8.464 5.535 8.432 129 HD22 LEU 13 HD22 LEU 13 -8.511 4.562 9.902 130 HD23 LEU 13 HD23 LEU 13 -9.533 5.993 9.759 131 H SER 14 H SER 14 -11.974 5.187 4.683 132 HA SER 14 HA SER 14 -10.325 6.779 3.172 133 HB2 SER 14 HB2 SER 14 -11.997 4.854 2.510 134 HB3 SER 14 HB3 SER 14 -13.074 6.202 2.139 135 HG SER 14 HG SER 14 -11.346 7.025 0.803 136 H ARG 15 H ARG 15 -13.296 7.666 4.741 137 HA ARG 15 HA ARG 15 -13.881 9.991 3.253 138 HB2 ARG 15 HB2 ARG 15 -14.849 8.695 5.655 139 HB3 ARG 15 HB3 ARG 15 -14.789 10.439 5.864 140 HG2 ARG 15 HG2 ARG 15 -16.252 10.806 4.049 141 HG3 ARG 15 HG3 ARG 15 -16.097 9.138 3.494 142 HD2 ARG 15 HD2 ARG 15 -17.992 8.766 4.620 143 HD3 ARG 15 HD3 ARG 15 -16.988 8.827 6.067 144 HE ARG 15 HE ARG 15 -17.661 11.431 5.574 145 HH11 ARG 15 HH11 ARG 15 -19.436 8.474 6.099 146 HH12 ARG 15 HH12 ARG 15 -20.797 9.271 6.815 147 HH21 ARG 15 HH21 ARG 15 -19.450 12.481 6.514 148 HH22 ARG 15 HH22 ARG 15 -20.806 11.546 7.050 149 H LYS 16 H LYS 16 -11.953 9.457 6.174 150 HA LYS 16 HA LYS 16 -11.330 12.253 6.461 151 HB2 LYS 16 HB2 LYS 16 -10.000 11.596 8.349 152 HB3 LYS 16 HB3 LYS 16 -11.507 10.692 8.393 153 HG2 LYS 16 HG2 LYS 16 -10.439 8.748 8.333 154 HG3 LYS 16 HG3 LYS 16 -9.463 9.249 6.952 155 HD2 LYS 16 HD2 LYS 16 -7.783 10.131 8.301 156 HD3 LYS 16 HD3 LYS 16 -8.846 10.260 9.704 157 HE2 LYS 16 HE2 LYS 16 -8.524 7.528 8.712 158 HE3 LYS 16 HE3 LYS 16 -7.021 8.264 9.264 159 HZ1 LYS 16 HZ1 LYS 16 -9.512 7.845 10.810 160 HZ2 LYS 16 HZ2 LYS 16 -8.278 8.876 11.339 161 HZ3 LYS 16 HZ3 LYS 16 -7.970 7.226 11.129 162 H ILE 17 H ILE 17 -10.065 9.661 4.632 163 HA ILE 17 HA ILE 17 -7.364 10.653 4.501 164 HB ILE 17 HB ILE 17 -8.738 8.612 2.747 165 HG12 ILE 17 HG12 ILE 17 -6.913 8.190 5.122 166 HG13 ILE 17 HG13 ILE 17 -8.664 8.027 5.171 167 HG21 ILE 17 HG21 ILE 17 -5.983 9.686 2.862 168 HG22 ILE 17 HG22 ILE 17 -6.903 9.059 1.493 169 HG23 ILE 17 HG23 ILE 17 -6.155 7.945 2.636 170 HD11 ILE 17 HD11 ILE 17 -8.125 5.859 4.858 171 HD12 ILE 17 HD12 ILE 17 -6.620 6.236 4.020 172 HD13 ILE 17 HD13 ILE 17 -8.159 6.355 3.167 173 H GLY 18 H GLY 18 -10.122 10.526 2.248 174 HA2 GLY 18 HA2 GLY 18 -8.963 11.786 0.072 175 HA3 GLY 18 HA3 GLY 18 -10.673 11.866 0.467 176 H THR 19 H THR 19 -10.010 13.202 3.077 177 HA THR 19 HA THR 19 -10.065 15.891 2.049 178 HB THR 19 HB THR 19 -11.523 15.328 3.891 179 HG1 THR 19 HG1 THR 19 -11.053 17.054 5.173 180 HG21 THR 19 HG21 THR 19 -9.009 14.606 5.359 181 HG22 THR 19 HG22 THR 19 -10.429 13.606 5.061 182 HG23 THR 19 HG23 THR 19 -10.531 14.971 6.172 183 H VAL 20 H VAL 20 -7.794 13.906 3.897 184 HA VAL 20 HA VAL 20 -5.948 16.084 4.264 185 HB VAL 20 HB VAL 20 -6.101 14.275 5.920 186 HG11 VAL 20 HG11 VAL 20 -5.606 12.610 3.578 187 HG12 VAL 20 HG12 VAL 20 -6.358 12.209 5.119 188 HG13 VAL 20 HG13 VAL 20 -4.602 12.198 4.966 189 HG21 VAL 20 HG21 VAL 20 -4.081 15.544 5.898 190 HG22 VAL 20 HG22 VAL 20 -3.442 14.607 4.549 191 HG23 VAL 20 HG23 VAL 20 -3.645 13.851 6.129 192 H VAL 21 H VAL 21 -6.390 13.485 1.979 193 HA VAL 21 HA VAL 21 -3.838 13.436 0.822 194 HB VAL 21 HB VAL 21 -6.482 12.944 -0.560 195 HG11 VAL 21 HG11 VAL 21 -3.652 12.574 -1.359 196 HG12 VAL 21 HG12 VAL 21 -5.066 12.966 -2.337 197 HG13 VAL 21 HG13 VAL 21 -4.794 11.306 -1.806 198 HG21 VAL 21 HG21 VAL 21 -5.436 11.581 1.601 199 HG22 VAL 21 HG22 VAL 21 -4.929 10.614 0.216 200 HG23 VAL 21 HG23 VAL 21 -6.639 10.968 0.465 201 H ARG 22 H ARG 22 -6.570 15.579 0.345 202 HA ARG 22 HA ARG 22 -5.790 16.825 -2.027 203 HB2 ARG 22 HB2 ARG 22 -7.754 17.227 0.004 204 HB3 ARG 22 HB3 ARG 22 -6.980 18.771 -0.321 205 HG2 ARG 22 HG2 ARG 22 -8.161 19.010 -2.175 206 HG3 ARG 22 HG3 ARG 22 -7.538 17.482 -2.803 207 HD2 ARG 22 HD2 ARG 22 -9.708 16.874 -2.732 208 HD3 ARG 22 HD3 ARG 22 -9.354 16.567 -1.033 209 HE ARG 22 HE ARG 22 -10.104 19.166 -1.049 210 HH11 ARG 22 HH11 ARG 22 -11.565 16.251 -2.292 211 HH12 ARG 22 HH12 ARG 22 -13.186 16.825 -2.086 212 HH21 ARG 22 HH21 ARG 22 -12.235 19.925 -0.779 213 HH22 ARG 22 HH22 ARG 22 -13.566 18.912 -1.229 214 H VAL 23 H VAL 23 -4.568 17.124 1.201 215 HA VAL 23 HA VAL 23 -3.207 19.621 0.751 216 HB VAL 23 HB VAL 23 -2.745 17.626 2.971 217 HG11 VAL 23 HG11 VAL 23 -1.761 20.338 2.371 218 HG12 VAL 23 HG12 VAL 23 -1.020 19.039 3.307 219 HG13 VAL 23 HG13 VAL 23 -2.266 20.052 4.037 220 HG21 VAL 23 HG21 VAL 23 -4.656 19.959 2.871 221 HG22 VAL 23 HG22 VAL 23 -4.304 18.980 4.293 222 HG23 VAL 23 HG23 VAL 23 -5.096 18.252 2.897 223 H LEU 24 H LEU 24 -2.402 16.201 0.638 224 HA LEU 24 HA LEU 24 0.157 16.911 -0.603 225 HB2 LEU 24 HB2 LEU 24 -0.172 15.682 1.960 226 HB3 LEU 24 HB3 LEU 24 0.584 14.535 0.873 227 HG LEU 24 HG LEU 24 1.593 17.263 1.642 228 HD11 LEU 24 HD11 LEU 24 2.508 16.023 3.260 229 HD12 LEU 24 HD12 LEU 24 3.611 15.476 1.999 230 HD13 LEU 24 HD13 LEU 24 2.197 14.509 2.412 231 HD21 LEU 24 HD21 LEU 24 3.455 15.833 0.034 232 HD22 LEU 24 HD22 LEU 24 2.739 17.418 -0.246 233 HD23 LEU 24 HD23 LEU 24 1.932 15.969 -0.844 234 HA PRO 25 HA PRO 25 -2.251 13.664 -2.960 235 HB2 PRO 25 HB2 PRO 25 -2.221 14.966 -5.341 236 HB3 PRO 25 HB3 PRO 25 -3.486 15.213 -4.131 237 HG2 PRO 25 HG2 PRO 25 -1.074 16.886 -4.720 238 HG3 PRO 25 HG3 PRO 25 -2.737 17.401 -4.386 239 HD2 PRO 25 HD2 PRO 25 -0.784 17.466 -2.510 240 HD3 PRO 25 HD3 PRO 25 -2.486 17.168 -2.108 241 H SER 26 H SER 26 0.765 15.256 -3.095 242 HA SER 26 HA SER 26 1.811 13.473 -5.161 243 HB2 SER 26 HB2 SER 26 2.288 16.104 -4.761 244 HB3 SER 26 HB3 SER 26 3.619 15.410 -3.835 245 HG SER 26 HG SER 26 4.048 14.135 -5.788 246 H SER 27 H SER 27 2.264 14.302 -1.737 247 HA SER 27 HA SER 27 4.457 12.608 -1.257 248 HB2 SER 27 HB2 SER 27 4.123 14.073 0.494 249 HB3 SER 27 HB3 SER 27 2.370 13.894 0.449 250 HG SER 27 HG SER 27 3.749 12.847 2.223 251 H LEU 28 H LEU 28 0.988 12.019 -1.242 252 HA LEU 28 HA LEU 28 0.910 9.515 -0.052 253 HB2 LEU 28 HB2 LEU 28 -0.801 11.072 -1.838 254 HB3 LEU 28 HB3 LEU 28 -0.993 9.341 -2.039 255 HG LEU 28 HG LEU 28 -1.112 9.534 0.663 256 HD11 LEU 28 HD11 LEU 28 -1.126 11.781 1.063 257 HD12 LEU 28 HD12 LEU 28 -2.855 11.497 0.858 258 HD13 LEU 28 HD13 LEU 28 -1.906 12.165 -0.471 259 HD21 LEU 28 HD21 LEU 28 -2.670 8.370 -0.867 260 HD22 LEU 28 HD22 LEU 28 -3.450 9.917 -1.202 261 HD23 LEU 28 HD23 LEU 28 -3.493 9.243 0.427 262 H GLU 29 H GLU 29 1.992 10.436 -3.229 263 HA GLU 29 HA GLU 29 1.853 7.976 -4.546 264 HB2 GLU 29 HB2 GLU 29 3.839 10.234 -4.847 265 HB3 GLU 29 HB3 GLU 29 3.721 8.874 -5.956 266 HG2 GLU 29 HG2 GLU 29 1.230 9.598 -6.147 267 HG3 GLU 29 HG3 GLU 29 1.827 11.135 -5.525 268 H ILE 30 H ILE 30 4.293 9.296 -2.373 269 HA ILE 30 HA ILE 30 6.194 7.219 -2.745 270 HB ILE 30 HB ILE 30 5.881 8.987 -0.318 271 HG12 ILE 30 HG12 ILE 30 7.790 9.578 -2.545 272 HG13 ILE 30 HG13 ILE 30 6.102 10.041 -2.731 273 HG21 ILE 30 HG21 ILE 30 8.537 8.124 -1.238 274 HG22 ILE 30 HG22 ILE 30 7.500 6.843 -0.608 275 HG23 ILE 30 HG23 ILE 30 7.882 8.244 0.395 276 HD11 ILE 30 HD11 ILE 30 7.817 11.726 -1.763 277 HD12 ILE 30 HD12 ILE 30 7.582 10.822 -0.266 278 HD13 ILE 30 HD13 ILE 30 6.208 11.602 -1.049 279 H PHE 31 H PHE 31 3.772 7.835 -0.208 280 HA PHE 31 HA PHE 31 4.320 5.519 1.300 281 HB2 PHE 31 HB2 PHE 31 1.761 7.121 1.091 282 HB3 PHE 31 HB3 PHE 31 2.102 5.915 2.329 283 HD1 PHE 31 HD1 PHE 31 4.569 6.364 3.436 284 HD2 PHE 31 HD2 PHE 31 1.946 9.284 1.794 285 HE1 PHE 31 HE1 PHE 31 5.627 8.093 4.831 286 HE2 PHE 31 HE2 PHE 31 2.999 11.019 3.186 287 HZ PHE 31 HZ PHE 31 4.843 10.423 4.705 288 H GLU 32 H GLU 32 2.372 6.078 -1.536 289 HA GLU 32 HA GLU 32 0.713 3.838 -1.461 290 HB2 GLU 32 HB2 GLU 32 0.606 5.779 -3.078 291 HB3 GLU 32 HB3 GLU 32 1.921 5.018 -3.963 292 HG2 GLU 32 HG2 GLU 32 0.357 2.952 -4.005 293 HG3 GLU 32 HG3 GLU 32 -0.908 4.125 -3.641 294 H GLU 33 H GLU 33 4.010 4.210 -2.684 295 HA GLU 33 HA GLU 33 4.160 1.477 -3.583 296 HB2 GLU 33 HB2 GLU 33 6.469 3.375 -3.176 297 HB3 GLU 33 HB3 GLU 33 6.397 1.979 -4.242 298 HG2 GLU 33 HG2 GLU 33 5.086 3.072 -5.801 299 HG3 GLU 33 HG3 GLU 33 4.522 4.269 -4.637 300 H LEU 34 H LEU 34 4.760 3.190 -0.654 301 HA LEU 34 HA LEU 34 6.617 1.366 0.495 302 HB2 LEU 34 HB2 LEU 34 6.029 3.817 1.151 303 HB3 LEU 34 HB3 LEU 34 4.763 3.075 2.111 304 HG LEU 34 HG LEU 34 7.721 2.540 2.394 305 HD11 LEU 34 HD11 LEU 34 7.800 4.041 4.073 306 HD12 LEU 34 HD12 LEU 34 6.145 3.719 4.588 307 HD13 LEU 34 HD13 LEU 34 6.449 4.766 3.202 308 HD21 LEU 34 HD21 LEU 34 6.680 1.536 4.618 309 HD22 LEU 34 HD22 LEU 34 6.859 0.573 3.151 310 HD23 LEU 34 HD23 LEU 34 5.296 1.284 3.555 311 H TYR 35 H TYR 35 3.102 1.797 0.817 312 HA TYR 35 HA TYR 35 2.783 -0.365 2.633 313 HB2 TYR 35 HB2 TYR 35 0.561 0.195 2.676 314 HB3 TYR 35 HB3 TYR 35 1.213 1.695 2.032 315 HD1 TYR 35 HD1 TYR 35 -0.723 -1.319 1.266 316 HD2 TYR 35 HD2 TYR 35 0.828 2.328 -0.276 317 HE1 TYR 35 HE1 TYR 35 -2.206 -1.522 -0.686 318 HE2 TYR 35 HE2 TYR 35 -0.650 2.137 -2.233 319 HH TYR 35 HH TYR 35 -1.849 -0.161 -3.416 320 H LYS 36 H LYS 36 2.778 -0.087 -0.845 321 HA LYS 36 HA LYS 36 1.650 -2.681 -1.321 322 HB2 LYS 36 HB2 LYS 36 2.721 -0.465 -2.947 323 HB3 LYS 36 HB3 LYS 36 2.934 -2.067 -3.642 324 HG2 LYS 36 HG2 LYS 36 0.471 -2.431 -3.275 325 HG3 LYS 36 HG3 LYS 36 0.362 -0.714 -2.878 326 HD2 LYS 36 HD2 LYS 36 -0.188 -0.859 -5.162 327 HD3 LYS 36 HD3 LYS 36 1.479 -0.283 -5.122 328 HE2 LYS 36 HE2 LYS 36 2.173 -2.707 -5.383 329 HE3 LYS 36 HE3 LYS 36 0.483 -3.052 -5.745 330 HZ1 LYS 36 HZ1 LYS 36 0.788 -1.172 -7.475 331 HZ2 LYS 36 HZ2 LYS 36 1.369 -2.723 -7.822 332 HZ3 LYS 36 HZ3 LYS 36 2.436 -1.513 -7.313 333 H TYR 37 H TYR 37 4.854 -1.373 -0.880 334 HA TYR 37 HA TYR 37 6.342 -3.507 -1.954 335 HB2 TYR 37 HB2 TYR 37 7.436 -1.416 -1.527 336 HB3 TYR 37 HB3 TYR 37 7.002 -1.469 0.177 337 HD1 TYR 37 HD1 TYR 37 9.199 -2.910 -2.408 338 HD2 TYR 37 HD2 TYR 37 8.304 -2.720 1.746 339 HE1 TYR 37 HE1 TYR 37 11.342 -4.004 -1.902 340 HE2 TYR 37 HE2 TYR 37 10.446 -3.813 2.264 341 HH TYR 37 HH TYR 37 12.742 -4.020 1.074 342 H ALA 38 H ALA 38 5.340 -2.824 1.395 343 HA ALA 38 HA ALA 38 6.463 -5.146 2.524 344 HB1 ALA 38 HB1 ALA 38 5.949 -3.450 4.038 345 HB2 ALA 38 HB2 ALA 38 4.733 -4.685 4.364 346 HB3 ALA 38 HB3 ALA 38 4.309 -3.260 3.416 347 H LEU 39 H LEU 39 3.433 -4.554 0.894 348 HA LEU 39 HA LEU 39 2.139 -6.947 1.752 349 HB2 LEU 39 HB2 LEU 39 1.624 -4.868 -0.324 350 HB3 LEU 39 HB3 LEU 39 0.772 -6.396 -0.444 351 HG LEU 39 HG LEU 39 0.714 -4.941 2.159 352 HD11 LEU 39 HD11 LEU 39 0.148 -3.484 -0.014 353 HD12 LEU 39 HD12 LEU 39 -0.709 -3.307 1.518 354 HD13 LEU 39 HD13 LEU 39 -1.410 -4.275 0.221 355 HD21 LEU 39 HD21 LEU 39 -1.659 -6.194 0.928 356 HD22 LEU 39 HD22 LEU 39 -1.079 -6.248 2.592 357 HD23 LEU 39 HD23 LEU 39 -0.340 -7.277 1.367 358 H ASN 40 H ASN 40 4.233 -6.082 -0.917 359 HA ASN 40 HA ASN 40 3.776 -8.453 -2.437 360 HB2 ASN 40 HB2 ASN 40 4.916 -6.066 -3.008 361 HB3 ASN 40 HB3 ASN 40 6.358 -7.044 -2.759 362 HD21 ASN 40 HD21 ASN 40 6.945 -6.940 -4.911 363 HD22 ASN 40 HD22 ASN 40 6.098 -7.802 -6.145 364 H GLU 41 H GLU 41 5.796 -7.636 0.250 365 HA GLU 41 HA GLU 41 7.872 -9.458 0.013 366 HB2 GLU 41 HB2 GLU 41 6.440 -8.568 2.522 367 HB3 GLU 41 HB3 GLU 41 8.002 -9.375 2.485 368 HG2 GLU 41 HG2 GLU 41 8.919 -7.492 1.197 369 HG3 GLU 41 HG3 GLU 41 7.361 -6.678 1.313 370 H ASN 42 H ASN 42 4.530 -10.001 0.792 371 HA ASN 42 HA ASN 42 4.683 -12.465 2.088 372 HB2 ASN 42 HB2 ASN 42 2.650 -10.815 1.196 373 HB3 ASN 42 HB3 ASN 42 2.434 -12.271 0.229 374 HD21 ASN 42 HD21 ASN 42 2.608 -11.000 3.484 375 HD22 ASN 42 HD22 ASN 42 1.759 -12.300 4.242 376 H SER 43 H SER 43 5.004 -11.644 -1.287 377 HA SER 43 HA SER 43 4.702 -14.292 -2.299 378 HB2 SER 43 HB2 SER 43 6.246 -12.092 -3.663 379 HB3 SER 43 HB3 SER 43 5.328 -13.404 -4.400 380 HG SER 43 HG SER 43 4.461 -11.023 -4.011 381 H ASN 44 H ASN 44 6.305 -15.715 -3.053 382 HA ASN 44 HA ASN 44 8.817 -15.520 -1.572 383 HB2 ASN 44 HB2 ASN 44 7.345 -17.592 -1.506 384 HB3 ASN 44 HB3 ASN 44 7.829 -17.880 -3.175 385 HD21 ASN 44 HD21 ASN 44 10.000 -18.367 -3.625 386 HD22 ASN 44 HD22 ASN 44 11.057 -18.978 -2.402 387 H ASP 45 H ASP 45 9.971 -14.047 -2.820 388 HA ASP 45 HA ASP 45 11.228 -15.178 -5.160 389 HB2 ASP 45 HB2 ASP 45 10.755 -13.184 -6.580 390 HB3 ASP 45 HB3 ASP 45 9.320 -14.139 -6.219 391 H ARG 46 H ARG 46 12.656 -14.929 -3.077 392 HA ARG 46 HA ARG 46 13.740 -12.296 -2.654 393 HB2 ARG 46 HB2 ARG 46 14.280 -15.026 -1.555 394 HB3 ARG 46 HB3 ARG 46 15.483 -13.763 -1.335 395 HG2 ARG 46 HG2 ARG 46 13.655 -12.349 -0.338 396 HG3 ARG 46 HG3 ARG 46 12.644 -13.796 -0.351 397 HD2 ARG 46 HD2 ARG 46 14.853 -14.775 0.834 398 HD3 ARG 46 HD3 ARG 46 14.944 -13.096 1.362 399 HE ARG 46 HE ARG 46 13.150 -13.467 2.732 400 HH11 ARG 46 HH11 ARG 46 13.342 -16.060 0.403 401 HH12 ARG 46 HH12 ARG 46 12.102 -17.001 1.162 402 HH21 ARG 46 HH21 ARG 46 11.520 -14.704 3.732 403 HH22 ARG 46 HH22 ARG 46 11.067 -16.232 3.052 404 H SER 47 H SER 47 14.171 -12.194 -5.086 405 HA SER 47 HA SER 47 16.992 -12.816 -5.494 406 HB2 SER 47 HB2 SER 47 15.193 -14.512 -6.583 407 HB3 SER 47 HB3 SER 47 15.276 -13.302 -7.863 408 HG SER 47 HG SER 47 16.914 -14.600 -8.368 409 H GLU 48 H GLU 48 17.832 -10.857 -5.784 410 HA GLU 48 HA GLU 48 16.857 -9.206 -7.954 411 HB2 GLU 48 HB2 GLU 48 16.496 -8.503 -5.101 412 HB3 GLU 48 HB3 GLU 48 17.111 -7.222 -6.137 413 HG2 GLU 48 HG2 GLU 48 15.195 -7.245 -7.489 414 HG3 GLU 48 HG3 GLU 48 14.661 -8.797 -6.844 415 H HIS 49 H HIS 49 18.529 -8.370 -9.018 416 HA HIS 49 HA HIS 49 20.956 -7.617 -7.610 417 HB2 HIS 49 HB2 HIS 49 20.738 -9.971 -9.401 418 HB3 HIS 49 HB3 HIS 49 22.146 -8.939 -9.636 419 HD1 HIS 49 HD1 HIS 49 22.566 -8.247 -6.588 420 HD2 HIS 49 HD2 HIS 49 22.041 -12.056 -8.165 421 HE1 HIS 49 HE1 HIS 49 23.602 -9.815 -4.917 422 HE2 HIS 49 HE2 HIS 49 23.198 -12.118 -5.852 423 H HIS 50 H HIS 50 21.207 -5.587 -8.271 424 HA HIS 50 HA HIS 50 20.641 -4.928 -11.077 425 HB2 HIS 50 HB2 HIS 50 19.437 -3.646 -9.297 426 HB3 HIS 50 HB3 HIS 50 20.992 -3.031 -8.748 427 HD1 HIS 50 HD1 HIS 50 20.878 -0.624 -9.386 428 HD2 HIS 50 HD2 HIS 50 19.741 -3.134 -12.496 429 HE1 HIS 50 HE1 HIS 50 20.579 0.874 -11.383 430 HE2 HIS 50 HE2 HIS 50 19.983 -0.679 -13.274 431 H LYS 51 H LYS 51 22.205 -4.227 -12.415 432 HA LYS 51 HA LYS 51 24.937 -4.507 -11.595 433 HB2 LYS 51 HB2 LYS 51 23.858 -5.013 -13.905 434 HB3 LYS 51 HB3 LYS 51 24.086 -3.295 -14.205 435 HG2 LYS 51 HG2 LYS 51 26.544 -3.915 -13.351 436 HG3 LYS 51 HG3 LYS 51 26.068 -5.472 -14.032 437 HD2 LYS 51 HD2 LYS 51 25.394 -4.215 -16.117 438 HD3 LYS 51 HD3 LYS 51 26.193 -2.804 -15.421 439 HE2 LYS 51 HE2 LYS 51 27.423 -5.437 -16.199 440 HE3 LYS 51 HE3 LYS 51 27.764 -3.841 -16.866 441 HZ1 LYS 51 HZ1 LYS 51 28.377 -3.406 -14.338 442 HZ2 LYS 51 HZ2 LYS 51 29.502 -4.006 -15.450 443 HZ3 LYS 51 HZ3 LYS 51 28.708 -5.063 -14.395 444 H LYS 52 H LYS 52 25.937 -2.993 -10.453 445 HA LYS 52 HA LYS 52 26.394 -0.405 -11.405 446 HB2 LYS 52 HB2 LYS 52 23.929 -0.690 -9.957 447 HB3 LYS 52 HB3 LYS 52 25.025 0.335 -9.043 448 HG2 LYS 52 HG2 LYS 52 25.356 1.667 -11.158 449 HG3 LYS 52 HG3 LYS 52 24.014 0.746 -11.842 450 HD2 LYS 52 HD2 LYS 52 22.740 2.392 -10.993 451 HD3 LYS 52 HD3 LYS 52 22.962 1.543 -9.462 452 HE2 LYS 52 HE2 LYS 52 24.211 3.191 -8.613 453 HE3 LYS 52 HE3 LYS 52 25.164 3.342 -10.088 454 HZ1 LYS 52 HZ1 LYS 52 23.574 5.251 -9.264 455 HZ2 LYS 52 HZ2 LYS 52 22.425 4.363 -10.131 456 HZ3 LYS 52 HZ3 LYS 52 23.808 4.947 -10.911 457 HA PRO 53 HA PRO 53 28.061 -0.836 -6.852 458 HB2 PRO 53 HB2 PRO 53 27.368 -3.623 -6.177 459 HB3 PRO 53 HB3 PRO 53 27.187 -2.155 -5.212 460 HG2 PRO 53 HG2 PRO 53 25.065 -3.414 -6.263 461 HG3 PRO 53 HG3 PRO 53 25.129 -1.646 -6.127 462 HD2 PRO 53 HD2 PRO 53 25.590 -3.380 -8.526 463 HD3 PRO 53 HD3 PRO 53 24.708 -1.844 -8.399 464 H ARG 54 H ARG 54 29.652 -0.971 -8.745 465 HA ARG 54 HA ARG 54 31.067 -3.548 -8.743 466 HB2 ARG 54 HB2 ARG 54 30.536 -1.541 -10.791 467 HB3 ARG 54 HB3 ARG 54 32.239 -1.972 -10.704 468 HG2 ARG 54 HG2 ARG 54 31.892 -4.064 -11.476 469 HG3 ARG 54 HG3 ARG 54 30.320 -4.212 -10.691 470 HD2 ARG 54 HD2 ARG 54 29.926 -4.175 -13.033 471 HD3 ARG 54 HD3 ARG 54 29.422 -2.610 -12.397 472 HE ARG 54 HE ARG 54 30.993 -1.637 -13.727 473 HH11 ARG 54 HH11 ARG 54 31.886 -4.978 -13.256 474 HH12 ARG 54 HH12 ARG 54 33.234 -4.902 -14.341 475 HH21 ARG 54 HH21 ARG 54 32.765 -1.534 -15.155 476 HH22 ARG 54 HH22 ARG 54 33.733 -2.947 -15.419 477 H ILE 55 H ILE 55 33.546 -3.104 -9.270 478 HA ILE 55 HA ILE 55 34.487 -1.149 -7.274 479 HB ILE 55 HB ILE 55 35.877 -3.723 -8.016 480 HG12 ILE 55 HG12 ILE 55 34.803 -3.572 -5.314 481 HG13 ILE 55 HG13 ILE 55 33.532 -3.480 -6.528 482 HG21 ILE 55 HG21 ILE 55 36.317 -1.950 -5.625 483 HG22 ILE 55 HG22 ILE 55 37.228 -1.795 -7.127 484 HG23 ILE 55 HG23 ILE 55 37.322 -3.286 -6.188 485 HD11 ILE 55 HD11 ILE 55 33.803 -5.619 -7.159 486 HD12 ILE 55 HD12 ILE 55 34.499 -5.776 -5.546 487 HD13 ILE 55 HD13 ILE 55 35.553 -5.576 -6.945 488 H ASP 56 H ASP 56 35.982 0.300 -7.897 489 HA ASP 56 HA ASP 56 37.606 -0.180 -10.261 490 HB2 ASP 56 HB2 ASP 56 35.728 2.184 -10.046 491 HB3 ASP 56 HB3 ASP 56 36.971 1.990 -11.279 492 H ASP 57 H ASP 57 36.689 2.160 -7.749 493 HA ASP 57 HA ASP 57 39.303 2.377 -6.725 494 HB2 ASP 57 HB2 ASP 57 39.127 3.767 -9.054 495 HB3 ASP 57 HB3 ASP 57 38.652 5.008 -7.898 496 H SER 58 H SER 58 38.036 2.054 -4.847 497 HA SER 58 HA SER 58 37.242 4.491 -3.573 498 HB2 SER 58 HB2 SER 58 34.937 4.121 -3.285 499 HB3 SER 58 HB3 SER 58 35.216 3.723 -4.980 500 HG SER 58 HG SER 58 35.248 1.532 -4.403 501 H SER 59 H SER 59 37.007 0.949 -3.462 502 HA SER 59 HA SER 59 38.381 0.896 -0.932 503 HB2 SER 59 HB2 SER 59 35.817 1.277 -0.527 504 HB3 SER 59 HB3 SER 59 35.696 -0.440 -0.907 505 HG SER 59 HG SER 59 35.992 -0.255 1.287 506 H ASP 60 H ASP 60 39.853 -0.604 -1.370 507 HA ASP 60 HA ASP 60 39.561 -2.651 -3.278 508 HB2 ASP 60 HB2 ASP 60 41.630 -3.605 -2.164 509 HB3 ASP 60 HB3 ASP 60 41.767 -1.945 -2.737 510 H LEU 61 H LEU 61 38.834 -2.502 0.128 511 HA LEU 61 HA LEU 61 37.777 -3.937 1.537 512 HB2 LEU 61 HB2 LEU 61 36.798 -4.628 -1.122 513 HB3 LEU 61 HB3 LEU 61 36.734 -5.982 -0.009 514 HG LEU 61 HG LEU 61 35.659 -3.418 1.002 515 HD11 LEU 61 HD11 LEU 61 34.639 -4.760 -1.421 516 HD12 LEU 61 HD12 LEU 61 34.489 -3.082 -0.900 517 HD13 LEU 61 HD13 LEU 61 33.442 -4.318 -0.201 518 HD21 LEU 61 HD21 LEU 61 35.478 -5.237 2.467 519 HD22 LEU 61 HD22 LEU 61 34.969 -6.334 1.183 520 HD23 LEU 61 HD23 LEU 61 33.870 -5.080 1.757 521 H LEU 62 H LEU 62 38.103 -5.890 2.650 522 HA LEU 62 HA LEU 62 40.206 -7.638 1.563 523 HB2 LEU 62 HB2 LEU 62 40.077 -6.267 4.218 524 HB3 LEU 62 HB3 LEU 62 40.878 -7.821 4.088 525 HG LEU 62 HG LEU 62 42.128 -6.584 2.085 526 HD11 LEU 62 HD11 LEU 62 40.907 -4.438 3.714 527 HD12 LEU 62 HD12 LEU 62 41.359 -4.457 2.008 528 HD13 LEU 62 HD13 LEU 62 42.595 -4.226 3.244 529 HD21 LEU 62 HD21 LEU 62 42.830 -7.502 4.512 530 HD22 LEU 62 HD22 LEU 62 43.156 -5.782 4.730 531 HD23 LEU 62 HD23 LEU 62 43.943 -6.669 3.424 532 H LYS 63 H LYS 63 38.400 -9.011 0.981 533 HA LYS 63 HA LYS 63 37.178 -10.388 3.277 534 HB2 LYS 63 HB2 LYS 63 36.166 -9.560 0.670 535 HB3 LYS 63 HB3 LYS 63 35.845 -11.256 1.003 536 HG2 LYS 63 HG2 LYS 63 34.806 -10.600 3.148 537 HG3 LYS 63 HG3 LYS 63 35.050 -8.907 2.709 538 HD2 LYS 63 HD2 LYS 63 33.803 -9.832 0.489 539 HD3 LYS 63 HD3 LYS 63 33.072 -10.855 1.729 540 HE2 LYS 63 HE2 LYS 63 32.746 -8.633 3.020 541 HE3 LYS 63 HE3 LYS 63 32.995 -7.875 1.448 542 HZ1 LYS 63 HZ1 LYS 63 30.742 -9.426 2.423 543 HZ2 LYS 63 HZ2 LYS 63 31.194 -9.727 0.821 544 HZ3 LYS 63 HZ3 LYS 63 30.782 -8.159 1.301 545 H THR 64 H THR 64 36.423 -12.739 2.194 546 HA THR 64 HA THR 64 39.000 -14.047 1.733 547 HB THR 64 HB THR 64 37.611 -14.855 3.602 548 HG1 THR 64 HG1 THR 64 37.682 -17.057 3.005 549 HG21 THR 64 HG21 THR 64 35.485 -15.559 3.468 550 HG22 THR 64 HG22 THR 64 35.686 -16.208 1.843 551 HG23 THR 64 HG23 THR 64 35.437 -14.478 2.075 552 H ASP 65 H ASP 65 37.853 -12.630 -0.432 553 HA ASP 65 HA ASP 65 36.819 -14.735 -2.191 554 HB2 ASP 65 HB2 ASP 65 36.691 -11.757 -2.194 555 HB3 ASP 65 HB3 ASP 65 36.663 -12.579 -3.751 556 H GLU 66 H GLU 66 39.507 -14.939 -1.462 557 HA GLU 66 HA GLU 66 41.330 -13.751 -3.217 558 HB2 GLU 66 HB2 GLU 66 41.322 -16.159 -1.479 559 HB3 GLU 66 HB3 GLU 66 42.555 -16.085 -2.731 560 HG2 GLU 66 HG2 GLU 66 43.647 -14.346 -1.755 561 HG3 GLU 66 HG3 GLU 66 42.183 -13.692 -1.021 562 H ILE 67 H ILE 67 42.205 -14.369 -5.176 563 HA ILE 67 HA ILE 67 41.455 -16.785 -6.507 564 HB ILE 67 HB ILE 67 39.376 -15.516 -6.823 565 HG12 ILE 67 HG12 ILE 67 39.402 -15.551 -9.377 566 HG13 ILE 67 HG13 ILE 67 41.103 -15.993 -9.252 567 HG21 ILE 67 HG21 ILE 67 40.731 -13.284 -6.822 568 HG22 ILE 67 HG22 ILE 67 39.238 -13.416 -7.751 569 HG23 ILE 67 HG23 ILE 67 40.798 -13.554 -8.565 570 HD11 ILE 67 HD11 ILE 67 39.745 -17.745 -7.554 571 HD12 ILE 67 HD12 ILE 67 40.465 -18.104 -9.122 572 HD13 ILE 67 HD13 ILE 67 38.768 -17.636 -9.018 573 H1 GLY 68 H1 GLY 68 9.518 9.655 27.917 574 H2 GLY 68 H2 GLY 68 8.337 9.186 26.800 575 H3 GLY 68 H3 GLY 68 8.436 10.798 27.298 576 HA2 GLY 68 HA2 GLY 68 10.543 11.086 26.223 577 HA3 GLY 68 HA3 GLY 68 10.571 9.379 25.807 578 H HIS 69 H HIS 69 9.230 12.497 25.061 579 HA HIS 69 HA HIS 69 8.485 11.518 22.422 580 HB2 HIS 69 HB2 HIS 69 6.478 11.474 24.081 581 HB3 HIS 69 HB3 HIS 69 6.495 13.224 23.888 582 HD1 HIS 69 HD1 HIS 69 7.221 13.114 20.782 583 HD2 HIS 69 HD2 HIS 69 4.124 11.091 22.674 584 HE1 HIS 69 HE1 HIS 69 5.527 12.644 18.983 585 HE2 HIS 69 HE2 HIS 69 3.704 11.341 20.135 586 H MET 70 H MET 70 9.671 12.790 21.156 587 HA MET 70 HA MET 70 9.334 15.669 21.336 588 HB2 MET 70 HB2 MET 70 11.444 14.712 22.668 589 HB3 MET 70 HB3 MET 70 12.156 14.771 21.062 590 HG2 MET 70 HG2 MET 70 10.736 17.155 22.161 591 HG3 MET 70 HG3 MET 70 12.390 16.797 22.654 592 HE1 MET 70 HE1 MET 70 13.572 15.814 19.220 593 HE2 MET 70 HE2 MET 70 13.971 15.879 20.937 594 HE3 MET 70 HE3 MET 70 14.572 17.127 19.844 595 H MET 71 H MET 71 8.321 15.599 19.347 596 HA MET 71 HA MET 71 8.146 15.638 17.079 597 HB2 MET 71 HB2 MET 71 10.554 16.773 17.634 598 HB3 MET 71 HB3 MET 71 11.049 15.455 16.581 599 HG2 MET 71 HG2 MET 71 8.979 16.453 15.171 600 HG3 MET 71 HG3 MET 71 9.558 17.912 15.974 601 HE1 MET 71 HE1 MET 71 9.348 18.226 13.429 602 HE2 MET 71 HE2 MET 71 10.532 17.703 12.232 603 HE3 MET 71 HE3 MET 71 10.870 19.102 13.253 604 H SER 72 H SER 72 9.241 14.472 14.997 605 HA SER 72 HA SER 72 9.007 11.626 15.611 606 HB2 SER 72 HB2 SER 72 8.611 13.302 13.175 607 HB3 SER 72 HB3 SER 72 9.057 11.611 12.952 608 HG SER 72 HG SER 72 7.248 11.147 14.411 609 H LYS 73 H LYS 73 10.490 10.077 14.818 610 HA LYS 73 HA LYS 73 12.857 10.688 13.437 611 HB2 LYS 73 HB2 LYS 73 13.263 11.865 15.659 612 HB3 LYS 73 HB3 LYS 73 13.342 10.265 16.381 613 HG2 LYS 73 HG2 LYS 73 15.406 9.890 15.614 614 HG3 LYS 73 HG3 LYS 73 15.046 10.578 14.029 615 HD2 LYS 73 HD2 LYS 73 15.256 12.439 16.336 616 HD3 LYS 73 HD3 LYS 73 16.746 11.726 15.717 617 HE2 LYS 73 HE2 LYS 73 16.707 13.469 14.297 618 HE3 LYS 73 HE3 LYS 73 15.550 12.477 13.410 619 HZ1 LYS 73 HZ1 LYS 73 14.448 14.470 13.601 620 HZ2 LYS 73 HZ2 LYS 73 15.053 14.801 15.146 621 HZ3 LYS 73 HZ3 LYS 73 13.841 13.639 14.944 622 H LEU 74 H LEU 74 11.333 8.632 15.859 623 HA LEU 74 HA LEU 74 12.882 6.319 15.342 624 HB2 LEU 74 HB2 LEU 74 11.065 7.008 17.233 625 HB3 LEU 74 HB3 LEU 74 10.094 5.941 16.237 626 HG LEU 74 HG LEU 74 12.295 4.410 16.522 627 HD11 LEU 74 HD11 LEU 74 12.981 6.428 18.159 628 HD12 LEU 74 HD12 LEU 74 13.491 4.757 18.400 629 HD13 LEU 74 HD13 LEU 74 12.110 5.394 19.292 630 HD21 LEU 74 HD21 LEU 74 10.972 3.050 17.796 631 HD22 LEU 74 HD22 LEU 74 9.747 4.136 17.140 632 HD23 LEU 74 HD23 LEU 74 10.357 4.380 18.778 633 H PHE 75 H PHE 75 11.311 4.239 14.798 634 HA PHE 75 HA PHE 75 10.261 3.052 13.162 635 HB2 PHE 75 HB2 PHE 75 8.515 4.878 13.436 636 HB3 PHE 75 HB3 PHE 75 9.252 5.670 12.047 637 HD1 PHE 75 HD1 PHE 75 8.378 2.122 12.809 638 HD2 PHE 75 HD2 PHE 75 7.914 5.453 10.201 639 HE1 PHE 75 HE1 PHE 75 7.004 0.746 11.302 640 HE2 PHE 75 HE2 PHE 75 6.540 4.082 8.689 641 HZ PHE 75 HZ PHE 75 6.084 1.724 9.238 642 H LEU 76 H LEU 76 11.136 6.098 11.522 643 HA LEU 76 HA LEU 76 12.051 4.849 9.178 644 HB2 LEU 76 HB2 LEU 76 12.792 7.557 10.285 645 HB3 LEU 76 HB3 LEU 76 13.053 7.026 8.635 646 HG LEU 76 HG LEU 76 10.268 6.938 9.671 647 HD11 LEU 76 HD11 LEU 76 11.511 9.174 10.286 648 HD12 LEU 76 HD12 LEU 76 9.874 9.187 9.633 649 HD13 LEU 76 HD13 LEU 76 11.247 9.523 8.578 650 HD21 LEU 76 HD21 LEU 76 11.261 6.313 7.313 651 HD22 LEU 76 HD22 LEU 76 11.121 8.050 7.047 652 HD23 LEU 76 HD23 LEU 76 9.692 7.104 7.464 653 H ASP 77 H ASP 77 13.587 5.459 12.224 654 HA ASP 77 HA ASP 77 16.275 5.427 11.485 655 HB2 ASP 77 HB2 ASP 77 16.706 4.658 13.807 656 HB3 ASP 77 HB3 ASP 77 15.593 6.020 13.735 657 H GLU 78 H GLU 78 14.004 2.790 11.972 658 HA GLU 78 HA GLU 78 16.102 0.810 11.528 659 HB2 GLU 78 HB2 GLU 78 13.157 0.397 12.073 660 HB3 GLU 78 HB3 GLU 78 14.397 -0.849 12.063 661 HG2 GLU 78 HG2 GLU 78 14.689 1.468 13.909 662 HG3 GLU 78 HG3 GLU 78 13.545 0.187 14.305 663 H LEU 79 H LEU 79 13.119 1.987 10.036 664 HA LEU 79 HA LEU 79 12.881 0.211 7.929 665 HB2 LEU 79 HB2 LEU 79 12.144 3.069 8.335 666 HB3 LEU 79 HB3 LEU 79 12.020 2.407 6.717 667 HG LEU 79 HG LEU 79 10.763 0.730 8.765 668 HD11 LEU 79 HD11 LEU 79 10.423 3.332 9.314 669 HD12 LEU 79 HD12 LEU 79 9.178 2.112 9.581 670 HD13 LEU 79 HD13 LEU 79 9.139 3.108 8.126 671 HD21 LEU 79 HD21 LEU 79 10.155 0.052 6.688 672 HD22 LEU 79 HD22 LEU 79 10.275 1.671 6.002 673 HD23 LEU 79 HD23 LEU 79 8.865 1.223 6.960 674 HA PRO 80 HA PRO 80 16.022 0.640 4.875 675 HB2 PRO 80 HB2 PRO 80 14.567 2.009 2.842 676 HB3 PRO 80 HB3 PRO 80 14.896 0.280 2.951 677 HG2 PRO 80 HG2 PRO 80 12.471 1.796 3.729 678 HG3 PRO 80 HG3 PRO 80 12.626 0.116 3.187 679 HD2 PRO 80 HD2 PRO 80 12.125 0.719 5.750 680 HD3 PRO 80 HD3 PRO 80 13.172 -0.647 5.311 681 H GLU 81 H GLU 81 17.295 2.128 6.003 682 HA GLU 81 HA GLU 81 16.950 4.814 6.369 683 HB2 GLU 81 HB2 GLU 81 18.821 3.549 7.313 684 HB3 GLU 81 HB3 GLU 81 19.540 3.396 5.716 685 HG2 GLU 81 HG2 GLU 81 20.029 5.700 5.607 686 HG3 GLU 81 HG3 GLU 81 19.012 6.055 7.002 687 H SER 82 H SER 82 17.787 3.169 3.413 688 HA SER 82 HA SER 82 18.750 5.402 1.970 689 HB2 SER 82 HB2 SER 82 17.717 2.692 1.243 690 HB3 SER 82 HB3 SER 82 17.884 3.901 -0.029 691 HG SER 82 HG SER 82 19.764 2.382 0.861 692 H LEU 83 H LEU 83 15.532 3.939 2.248 693 HA LEU 83 HA LEU 83 14.323 5.916 0.538 694 HB2 LEU 83 HB2 LEU 83 13.616 3.374 1.543 695 HB3 LEU 83 HB3 LEU 83 12.411 4.495 2.144 696 HG LEU 83 HG LEU 83 13.095 4.627 -0.748 697 HD11 LEU 83 HD11 LEU 83 11.407 2.456 0.487 698 HD12 LEU 83 HD12 LEU 83 12.907 2.243 -0.415 699 HD13 LEU 83 HD13 LEU 83 11.466 2.842 -1.233 700 HD21 LEU 83 HD21 LEU 83 11.338 5.955 0.791 701 HD22 LEU 83 HD22 LEU 83 10.326 4.609 0.267 702 HD23 LEU 83 HD23 LEU 83 11.093 5.653 -0.930 703 H SER 84 H SER 84 14.489 5.268 4.006 704 HA SER 84 HA SER 84 12.643 7.055 4.983 705 HB2 SER 84 HB2 SER 84 15.293 6.125 6.056 706 HB3 SER 84 HB3 SER 84 14.314 7.285 6.954 707 HG SER 84 HG SER 84 13.559 4.673 6.141 708 H ARG 85 H ARG 85 15.739 7.720 3.547 709 HA ARG 85 HA ARG 85 16.179 10.311 4.511 710 HB2 ARG 85 HB2 ARG 85 17.269 8.596 2.471 711 HB3 ARG 85 HB3 ARG 85 17.113 10.233 1.850 712 HG2 ARG 85 HG2 ARG 85 18.604 11.100 3.378 713 HG3 ARG 85 HG3 ARG 85 18.360 9.779 4.522 714 HD2 ARG 85 HD2 ARG 85 20.414 9.215 3.693 715 HD3 ARG 85 HD3 ARG 85 19.378 8.343 2.564 716 HE ARG 85 HE ARG 85 20.999 10.686 2.009 717 HH11 ARG 85 HH11 ARG 85 18.465 8.549 0.901 718 HH12 ARG 85 HH12 ARG 85 18.650 8.994 -0.761 719 HH21 ARG 85 HH21 ARG 85 21.234 11.270 -0.176 720 HH22 ARG 85 HH22 ARG 85 20.218 10.537 -1.373 721 H LYS 86 H LYS 86 14.391 9.175 1.670 722 HA LYS 86 HA LYS 86 13.653 11.842 0.876 723 HB2 LYS 86 HB2 LYS 86 12.667 9.152 -0.088 724 HB3 LYS 86 HB3 LYS 86 12.284 10.697 -0.836 725 HG2 LYS 86 HG2 LYS 86 14.482 11.011 -1.580 726 HG3 LYS 86 HG3 LYS 86 15.116 9.770 -0.498 727 HD2 LYS 86 HD2 LYS 86 13.135 8.595 -2.186 728 HD3 LYS 86 HD3 LYS 86 14.275 9.494 -3.188 729 HE2 LYS 86 HE2 LYS 86 15.966 8.070 -2.761 730 HE3 LYS 86 HE3 LYS 86 15.506 7.874 -1.071 731 HZ1 LYS 86 HZ1 LYS 86 13.816 6.662 -3.140 732 HZ2 LYS 86 HZ2 LYS 86 14.112 6.150 -1.554 733 HZ3 LYS 86 HZ3 LYS 86 15.281 5.911 -2.752 734 H ILE 87 H ILE 87 12.373 9.419 2.964 735 HA ILE 87 HA ILE 87 9.657 10.369 2.888 736 HB ILE 87 HB ILE 87 10.947 8.572 4.943 737 HG12 ILE 87 HG12 ILE 87 9.331 7.692 2.554 738 HG13 ILE 87 HG13 ILE 87 11.086 7.820 2.499 739 HG21 ILE 87 HG21 ILE 87 8.207 9.533 4.461 740 HG22 ILE 87 HG22 ILE 87 8.976 8.983 5.951 741 HG23 ILE 87 HG23 ILE 87 8.364 7.806 4.789 742 HD11 ILE 87 HD11 ILE 87 10.805 6.324 4.707 743 HD12 ILE 87 HD12 ILE 87 10.967 5.656 3.082 744 HD13 ILE 87 HD13 ILE 87 9.370 5.825 3.811 745 H GLY 88 H GLY 88 12.411 10.657 5.104 746 HA2 GLY 88 HA2 GLY 88 11.117 12.036 7.166 747 HA3 GLY 88 HA3 GLY 88 12.837 12.120 6.817 748 H THR 89 H THR 89 12.371 13.203 4.109 749 HA THR 89 HA THR 89 12.291 15.966 4.852 750 HB THR 89 HB THR 89 13.803 15.166 3.101 751 HG1 THR 89 HG1 THR 89 11.817 16.974 2.200 752 HG21 THR 89 HG21 THR 89 12.613 13.446 2.004 753 HG22 THR 89 HG22 THR 89 12.856 14.734 0.825 754 HG23 THR 89 HG23 THR 89 11.284 14.532 1.597 755 H VAL 90 H VAL 90 10.113 13.759 3.170 756 HA VAL 90 HA VAL 90 8.224 15.835 2.517 757 HB VAL 90 HB VAL 90 8.451 13.863 1.074 758 HG11 VAL 90 HG11 VAL 90 7.335 12.344 3.429 759 HG12 VAL 90 HG12 VAL 90 8.955 12.188 2.750 760 HG13 VAL 90 HG13 VAL 90 7.554 11.693 1.803 761 HG21 VAL 90 HG21 VAL 90 5.923 14.764 2.244 762 HG22 VAL 90 HG22 VAL 90 5.829 13.193 1.446 763 HG23 VAL 90 HG23 VAL 90 6.399 14.604 0.554 764 H VAL 91 H VAL 91 8.534 13.323 4.979 765 HA VAL 91 HA VAL 91 5.980 13.488 6.095 766 HB VAL 91 HB VAL 91 8.606 12.876 7.463 767 HG11 VAL 91 HG11 VAL 91 7.170 11.714 9.146 768 HG12 VAL 91 HG12 VAL 91 5.770 12.491 8.406 769 HG13 VAL 91 HG13 VAL 91 7.028 13.473 9.158 770 HG21 VAL 91 HG21 VAL 91 6.641 10.759 6.872 771 HG22 VAL 91 HG22 VAL 91 8.401 10.733 6.778 772 HG23 VAL 91 HG23 VAL 91 7.460 11.466 5.480 773 H ARG 92 H ARG 92 8.807 15.523 6.521 774 HA ARG 92 HA ARG 92 8.135 16.906 8.822 775 HB2 ARG 92 HB2 ARG 92 9.862 17.357 6.509 776 HB3 ARG 92 HB3 ARG 92 9.253 18.853 7.204 777 HG2 ARG 92 HG2 ARG 92 10.505 18.659 9.053 778 HG3 ARG 92 HG3 ARG 92 10.264 16.913 9.160 779 HD2 ARG 92 HD2 ARG 92 12.360 16.681 8.448 780 HD3 ARG 92 HD3 ARG 92 11.811 17.261 6.877 781 HE ARG 92 HE ARG 92 13.392 18.698 8.805 782 HH11 ARG 92 HH11 ARG 92 11.220 18.992 6.087 783 HH12 ARG 92 HH12 ARG 92 11.799 20.558 5.635 784 HH21 ARG 92 HH21 ARG 92 14.153 20.759 8.212 785 HH22 ARG 92 HH22 ARG 92 13.464 21.563 6.840 786 H VAL 93 H VAL 93 6.764 17.115 5.641 787 HA VAL 93 HA VAL 93 5.411 19.614 6.100 788 HB VAL 93 HB VAL 93 4.896 17.568 3.937 789 HG11 VAL 93 HG11 VAL 93 3.454 19.010 2.998 790 HG12 VAL 93 HG12 VAL 93 4.434 20.416 3.414 791 HG13 VAL 93 HG13 VAL 93 3.357 19.706 4.616 792 HG21 VAL 93 HG21 VAL 93 6.627 18.356 2.729 793 HG22 VAL 93 HG22 VAL 93 7.260 18.823 4.307 794 HG23 VAL 93 HG23 VAL 93 6.417 20.008 3.309 795 H LEU 94 H LEU 94 4.502 16.186 6.009 796 HA LEU 94 HA LEU 94 2.028 16.882 7.444 797 HB2 LEU 94 HB2 LEU 94 2.435 15.187 5.038 798 HB3 LEU 94 HB3 LEU 94 1.237 14.670 6.207 799 HG LEU 94 HG LEU 94 0.303 15.999 4.331 800 HD11 LEU 94 HD11 LEU 94 -0.286 16.139 7.039 801 HD12 LEU 94 HD12 LEU 94 -1.327 16.632 5.704 802 HD13 LEU 94 HD13 LEU 94 -0.291 17.818 6.500 803 HD21 LEU 94 HD21 LEU 94 1.369 18.499 5.508 804 HD22 LEU 94 HD22 LEU 94 0.923 18.128 3.843 805 HD23 LEU 94 HD23 LEU 94 2.458 17.552 4.495 806 HA PRO 95 HA PRO 95 4.549 13.764 9.846 807 HB2 PRO 95 HB2 PRO 95 3.741 15.449 12.116 808 HB3 PRO 95 HB3 PRO 95 5.352 14.905 11.644 809 HG2 PRO 95 HG2 PRO 95 4.582 17.470 11.376 810 HG3 PRO 95 HG3 PRO 95 5.686 16.692 10.227 811 HD2 PRO 95 HD2 PRO 95 2.756 17.252 9.961 812 HD3 PRO 95 HD3 PRO 95 4.049 17.414 8.754 813 H SER 96 H SER 96 1.367 15.081 9.929 814 HA SER 96 HA SER 96 0.409 13.016 11.764 815 HB2 SER 96 HB2 SER 96 -0.295 15.663 11.477 816 HB3 SER 96 HB3 SER 96 -1.592 14.831 10.620 817 HG SER 96 HG SER 96 -2.353 14.222 12.470 818 H SER 97 H SER 97 0.088 14.097 8.414 819 HA SER 97 HA SER 97 -1.985 12.355 7.657 820 HB2 SER 97 HB2 SER 97 -0.849 14.353 6.377 821 HB3 SER 97 HB3 SER 97 0.183 13.081 5.722 822 HG SER 97 HG SER 97 -1.391 12.565 4.451 823 H LEU 98 H LEU 98 1.498 11.910 7.850 824 HA LEU 98 HA LEU 98 1.668 9.470 6.475 825 HB2 LEU 98 HB2 LEU 98 3.755 10.292 6.779 826 HB3 LEU 98 HB3 LEU 98 3.361 11.020 8.322 827 HG LEU 98 HG LEU 98 3.563 8.814 9.404 828 HD11 LEU 98 HD11 LEU 98 4.899 7.648 7.043 829 HD12 LEU 98 HD12 LEU 98 3.138 7.726 6.996 830 HD13 LEU 98 HD13 LEU 98 3.947 6.873 8.310 831 HD21 LEU 98 HD21 LEU 98 5.517 10.498 8.851 832 HD22 LEU 98 HD22 LEU 98 6.099 9.141 7.888 833 HD23 LEU 98 HD23 LEU 98 5.831 8.943 9.621 834 H GLU 99 H GLU 99 0.881 10.231 9.819 835 HA GLU 99 HA GLU 99 1.096 7.712 10.967 836 HB2 GLU 99 HB2 GLU 99 -0.727 10.037 11.533 837 HB3 GLU 99 HB3 GLU 99 -0.815 8.556 12.477 838 HG2 GLU 99 HG2 GLU 99 1.890 9.217 12.422 839 HG3 GLU 99 HG3 GLU 99 1.042 10.745 12.661 840 H ILE 100 H ILE 100 -1.366 9.014 8.864 841 HA ILE 100 HA ILE 100 -3.328 7.009 9.353 842 HB ILE 100 HB ILE 100 -3.014 8.692 6.865 843 HG12 ILE 100 HG12 ILE 100 -4.749 9.347 9.242 844 HG13 ILE 100 HG13 ILE 100 -3.097 9.941 9.107 845 HG21 ILE 100 HG21 ILE 100 -5.687 7.973 7.816 846 HG22 ILE 100 HG22 ILE 100 -4.704 6.602 7.304 847 HG23 ILE 100 HG23 ILE 100 -5.009 7.932 6.188 848 HD11 ILE 100 HD11 ILE 100 -5.134 10.412 6.959 849 HD12 ILE 100 HD12 ILE 100 -3.609 11.254 7.238 850 HD13 ILE 100 HD13 ILE 100 -4.960 11.484 8.350 851 H PHE 101 H PHE 101 -0.833 7.448 6.871 852 HA PHE 101 HA PHE 101 -1.498 5.048 5.472 853 HB2 PHE 101 HB2 PHE 101 1.128 6.530 5.340 854 HB3 PHE 101 HB3 PHE 101 0.406 5.503 4.106 855 HD1 PHE 101 HD1 PHE 101 -2.253 6.405 3.766 856 HD2 PHE 101 HD2 PHE 101 1.223 8.703 4.625 857 HE1 PHE 101 HE1 PHE 101 -3.309 8.377 2.741 858 HE2 PHE 101 HE2 PHE 101 0.174 10.681 3.603 859 HZ PHE 101 HZ PHE 101 -2.095 10.518 2.660 860 H GLU 102 H GLU 102 0.688 5.890 8.067 861 HA GLU 102 HA GLU 102 2.364 3.646 8.004 862 HB2 GLU 102 HB2 GLU 102 2.736 5.701 9.374 863 HB3 GLU 102 HB3 GLU 102 1.458 5.164 10.456 864 HG2 GLU 102 HG2 GLU 102 2.777 3.104 10.893 865 HG3 GLU 102 HG3 GLU 102 4.083 3.794 9.930 866 H GLU 103 H GLU 103 -0.729 4.179 9.648 867 HA GLU 103 HA GLU 103 -0.755 1.531 10.781 868 HB2 GLU 103 HB2 GLU 103 -2.816 3.732 10.662 869 HB3 GLU 103 HB3 GLU 103 -3.121 2.174 11.419 870 HG2 GLU 103 HG2 GLU 103 -0.792 3.869 12.232 871 HG3 GLU 103 HG3 GLU 103 -2.402 4.133 12.899 872 H LEU 104 H LEU 104 -1.782 3.016 7.848 873 HA LEU 104 HA LEU 104 -3.832 1.191 7.134 874 HB2 LEU 104 HB2 LEU 104 -3.171 3.532 6.152 875 HB3 LEU 104 HB3 LEU 104 -2.142 2.583 5.096 876 HG LEU 104 HG LEU 104 -5.147 2.446 5.310 877 HD11 LEU 104 HD11 LEU 104 -3.385 3.108 2.959 878 HD12 LEU 104 HD12 LEU 104 -4.130 4.315 4.008 879 HD13 LEU 104 HD13 LEU 104 -5.143 3.229 3.054 880 HD21 LEU 104 HD21 LEU 104 -4.954 0.776 3.460 881 HD22 LEU 104 HD22 LEU 104 -4.396 0.199 5.031 882 HD23 LEU 104 HD23 LEU 104 -3.226 0.683 3.802 883 H TYR 105 H TYR 105 -0.395 1.398 6.213 884 HA TYR 105 HA TYR 105 -0.380 -0.893 4.592 885 HB2 TYR 105 HB2 TYR 105 1.874 -0.550 4.374 886 HB3 TYR 105 HB3 TYR 105 1.403 1.034 4.978 887 HD1 TYR 105 HD1 TYR 105 2.808 -2.242 6.028 888 HD2 TYR 105 HD2 TYR 105 2.331 1.882 6.962 889 HE1 TYR 105 HE1 TYR 105 4.412 -2.482 7.877 890 HE2 TYR 105 HE2 TYR 105 3.933 1.653 8.814 891 HH TYR 105 HH TYR 105 5.988 -0.922 9.160 892 H LYS 106 H LYS 106 0.219 -0.476 8.046 893 HA LYS 106 HA LYS 106 1.029 -3.149 8.538 894 HB2 LYS 106 HB2 LYS 106 0.944 -0.820 10.008 895 HB3 LYS 106 HB3 LYS 106 -0.299 -1.801 10.773 896 HG2 LYS 106 HG2 LYS 106 1.192 -3.333 11.553 897 HG3 LYS 106 HG3 LYS 106 2.321 -3.077 10.222 898 HD2 LYS 106 HD2 LYS 106 2.377 -0.649 11.450 899 HD3 LYS 106 HD3 LYS 106 2.129 -1.729 12.824 900 HE2 LYS 106 HE2 LYS 106 4.143 -2.798 12.521 901 HE3 LYS 106 HE3 LYS 106 4.207 -2.416 10.801 902 HZ1 LYS 106 HZ1 LYS 106 5.165 -0.430 11.186 903 HZ2 LYS 106 HZ2 LYS 106 5.664 -1.162 12.628 904 HZ3 LYS 106 HZ3 LYS 106 4.309 -0.149 12.618 905 H TYR 107 H TYR 107 -2.074 -1.567 8.327 906 HA TYR 107 HA TYR 107 -3.593 -3.622 9.577 907 HB2 TYR 107 HB2 TYR 107 -4.547 -1.429 9.454 908 HB3 TYR 107 HB3 TYR 107 -4.349 -1.375 7.707 909 HD1 TYR 107 HD1 TYR 107 -5.869 -2.614 6.246 910 HD2 TYR 107 HD2 TYR 107 -6.398 -2.609 10.466 911 HE1 TYR 107 HE1 TYR 107 -8.150 -3.483 5.953 912 HE2 TYR 107 HE2 TYR 107 -8.681 -3.478 10.188 913 HH TYR 107 HH TYR 107 -10.284 -3.514 7.214 914 H ALA 108 H ALA 108 -3.016 -2.773 6.168 915 HA ALA 108 HA ALA 108 -4.509 -4.850 5.034 916 HB1 ALA 108 HB1 ALA 108 -3.954 -3.212 3.519 917 HB2 ALA 108 HB2 ALA 108 -2.814 -4.485 3.082 918 HB3 ALA 108 HB3 ALA 108 -2.279 -3.122 4.065 919 H LEU 109 H LEU 109 -1.416 -4.880 6.568 920 HA LEU 109 HA LEU 109 -0.472 -7.293 5.344 921 HB2 LEU 109 HB2 LEU 109 0.408 -5.599 7.651 922 HB3 LEU 109 HB3 LEU 109 1.096 -7.197 7.431 923 HG LEU 109 HG LEU 109 1.121 -5.254 5.156 924 HD11 LEU 109 HD11 LEU 109 2.064 -3.903 6.835 925 HD12 LEU 109 HD12 LEU 109 3.432 -4.614 5.979 926 HD13 LEU 109 HD13 LEU 109 2.941 -5.258 7.545 927 HD21 LEU 109 HD21 LEU 109 1.922 -7.235 4.369 928 HD22 LEU 109 HD22 LEU 109 2.516 -7.749 5.949 929 HD23 LEU 109 HD23 LEU 109 3.421 -6.563 5.009 930 H ASN 110 H ASN 110 -2.436 -6.492 8.099 931 HA ASN 110 HA ASN 110 -2.174 -9.007 9.425 932 HB2 ASN 110 HB2 ASN 110 -2.885 -6.830 10.504 933 HB3 ASN 110 HB3 ASN 110 -4.445 -7.038 9.714 934 HD21 ASN 110 HD21 ASN 110 -4.908 -6.885 12.145 935 HD22 ASN 110 HD22 ASN 110 -5.046 -8.394 12.974 936 H GLU 111 H GLU 111 -4.410 -7.654 7.075 937 HA GLU 111 HA GLU 111 -6.347 -9.702 7.198 938 HB2 GLU 111 HB2 GLU 111 -7.165 -8.827 5.086 939 HB3 GLU 111 HB3 GLU 111 -6.755 -7.499 6.164 940 HG2 GLU 111 HG2 GLU 111 -5.160 -6.722 4.805 941 HG3 GLU 111 HG3 GLU 111 -4.577 -8.335 4.397 942 H ASN 112 H ASN 112 -3.254 -9.485 5.642 943 HA ASN 112 HA ASN 112 -3.546 -11.410 3.639 944 HB2 ASN 112 HB2 ASN 112 -1.520 -9.803 4.431 945 HB3 ASN 112 HB3 ASN 112 -0.948 -11.347 5.055 946 HD21 ASN 112 HD21 ASN 112 -1.018 -9.341 2.418 947 HD22 ASN 112 HD22 ASN 112 -0.562 -10.476 1.198 948 H SER 113 H SER 113 -3.047 -11.735 7.081 949 HA SER 113 HA SER 113 -2.698 -14.628 6.833 950 HB2 SER 113 HB2 SER 113 -2.513 -14.341 9.441 951 HB3 SER 113 HB3 SER 113 -1.167 -13.874 8.402 952 HG SER 113 HG SER 113 -3.177 -12.084 9.296 953 H ASN 114 H ASN 114 -4.113 -16.118 7.720 954 HA ASN 114 HA ASN 114 -6.385 -15.420 9.263 955 HB2 ASN 114 HB2 ASN 114 -8.124 -15.937 7.567 956 HB3 ASN 114 HB3 ASN 114 -7.215 -14.478 7.186 957 HD21 ASN 114 HD21 ASN 114 -5.487 -14.671 5.613 958 HD22 ASN 114 HD22 ASN 114 -5.642 -15.820 4.333 959 H ASP 115 H ASP 115 -5.723 -17.153 10.515 960 HA ASP 115 HA ASP 115 -5.635 -19.310 11.232 961 HB2 ASP 115 HB2 ASP 115 -7.721 -19.355 9.114 962 HB3 ASP 115 HB3 ASP 115 -7.102 -20.910 9.661 963 H ARG 116 H ARG 116 -5.118 -21.642 10.458 964 HA ARG 116 HA ARG 116 -3.839 -22.091 8.002 965 HB2 ARG 116 HB2 ARG 116 -2.224 -20.766 10.046 966 HB3 ARG 116 HB3 ARG 116 -1.504 -22.264 9.473 967 HG2 ARG 116 HG2 ARG 116 -2.505 -20.611 7.304 968 HG3 ARG 116 HG3 ARG 116 -1.288 -19.793 8.286 969 HD2 ARG 116 HD2 ARG 116 0.335 -21.409 7.833 970 HD3 ARG 116 HD3 ARG 116 -0.860 -22.594 7.308 971 HE ARG 116 HE ARG 116 0.349 -20.524 5.718 972 HH11 ARG 116 HH11 ARG 116 -2.408 -22.638 6.052 973 HH12 ARG 116 HH12 ARG 116 -2.807 -22.588 4.367 974 HH21 ARG 116 HH21 ARG 116 -0.173 -20.459 3.503 975 HH22 ARG 116 HH22 ARG 116 -1.537 -21.352 2.920 976 H SER 117 H SER 117 -2.870 -24.192 7.864 977 HA SER 117 HA SER 117 -3.775 -25.967 10.021 978 HB2 SER 117 HB2 SER 117 -2.987 -26.792 7.224 979 HB3 SER 117 HB3 SER 117 -3.919 -27.714 8.404 980 HG SER 117 HG SER 117 -5.165 -26.659 6.706 981 H GLU 118 H GLU 118 -2.253 -26.572 11.399 982 HA GLU 118 HA GLU 118 0.490 -26.953 10.396 983 HB2 GLU 118 HB2 GLU 118 -0.589 -25.917 12.980 984 HB3 GLU 118 HB3 GLU 118 0.947 -26.772 12.995 985 HG2 GLU 118 HG2 GLU 118 1.298 -25.038 10.925 986 HG3 GLU 118 HG3 GLU 118 0.286 -24.098 12.020 987 H HIS 119 H HIS 119 -1.647 -28.920 10.276 988 HA HIS 119 HA HIS 119 -0.565 -30.950 12.118 989 HB2 HIS 119 HB2 HIS 119 -3.163 -30.145 11.970 990 HB3 HIS 119 HB3 HIS 119 -3.168 -31.498 10.844 991 HD1 HIS 119 HD1 HIS 119 -1.072 -33.228 12.493 992 HD2 HIS 119 HD2 HIS 119 -4.519 -31.454 13.991 993 HE1 HIS 119 HE1 HIS 119 -1.669 -34.548 14.548 994 HE2 HIS 119 HE2 HIS 119 -3.706 -33.403 15.487 995 H HIS 120 H HIS 120 1.021 -31.836 10.873 996 HA HIS 120 HA HIS 120 0.144 -33.110 8.367 997 HB2 HIS 120 HB2 HIS 120 1.748 -31.080 8.176 998 HB3 HIS 120 HB3 HIS 120 2.974 -32.185 8.786 999 HD1 HIS 120 HD1 HIS 120 0.984 -31.373 5.761 1000 HD2 HIS 120 HD2 HIS 120 3.683 -34.277 7.008 1001 HE1 HIS 120 HE1 HIS 120 1.680 -32.587 3.671 1002 HE2 HIS 120 HE2 HIS 120 3.382 -34.278 4.440 1003 H LYS 121 H LYS 121 0.118 -34.265 10.978 1004 HA LYS 121 HA LYS 121 2.411 -36.074 11.010 1005 HB2 LYS 121 HB2 LYS 121 1.382 -34.917 13.087 1006 HB3 LYS 121 HB3 LYS 121 0.130 -36.144 12.965 1007 HG2 LYS 121 HG2 LYS 121 1.456 -37.757 13.767 1008 HG3 LYS 121 HG3 LYS 121 2.861 -37.193 12.861 1009 HD2 LYS 121 HD2 LYS 121 2.661 -35.197 14.634 1010 HD3 LYS 121 HD3 LYS 121 1.952 -36.500 15.593 1011 HE2 LYS 121 HE2 LYS 121 4.379 -36.285 15.947 1012 HE3 LYS 121 HE3 LYS 121 3.931 -37.854 15.278 1013 HZ1 LYS 121 HZ1 LYS 121 4.840 -37.345 13.242 1014 HZ2 LYS 121 HZ2 LYS 121 5.920 -36.566 14.286 1015 HZ3 LYS 121 HZ3 LYS 121 4.736 -35.673 13.474 1016 H LYS 122 H LYS 122 2.323 -37.938 9.965 1017 HA LYS 122 HA LYS 122 -0.306 -39.110 9.375 1018 HB2 LYS 122 HB2 LYS 122 1.198 -38.518 7.458 1019 HB3 LYS 122 HB3 LYS 122 2.338 -39.721 8.049 1020 HG2 LYS 122 HG2 LYS 122 1.288 -41.191 6.765 1021 HG3 LYS 122 HG3 LYS 122 -0.063 -41.092 7.895 1022 HD2 LYS 122 HD2 LYS 122 -1.140 -40.602 5.931 1023 HD3 LYS 122 HD3 LYS 122 -0.681 -38.978 6.449 1024 HE2 LYS 122 HE2 LYS 122 1.221 -38.989 4.982 1025 HE3 LYS 122 HE3 LYS 122 0.952 -40.683 4.574 1026 HZ1 LYS 122 HZ1 LYS 122 -0.519 -38.302 3.693 1027 HZ2 LYS 122 HZ2 LYS 122 -1.350 -39.772 3.802 1028 HZ3 LYS 122 HZ3 LYS 122 0.002 -39.639 2.795 1029 HA PRO 123 HA PRO 123 0.899 -41.928 12.760 1030 HB2 PRO 123 HB2 PRO 123 -1.635 -43.140 11.746 1031 HB3 PRO 123 HB3 PRO 123 -1.123 -42.829 13.410 1032 HG2 PRO 123 HG2 PRO 123 -2.909 -41.252 12.228 1033 HG3 PRO 123 HG3 PRO 123 -1.666 -40.578 13.298 1034 HD2 PRO 123 HD2 PRO 123 -1.846 -40.512 10.324 1035 HD3 PRO 123 HD3 PRO 123 -1.184 -39.306 11.443 1036 H ARG 124 H ARG 124 1.766 -43.985 12.778 1037 HA ARG 124 HA ARG 124 1.902 -45.343 10.165 1038 HB2 ARG 124 HB2 ARG 124 4.004 -44.284 11.548 1039 HB3 ARG 124 HB3 ARG 124 4.016 -45.945 12.125 1040 HG2 ARG 124 HG2 ARG 124 3.992 -46.664 9.712 1041 HG3 ARG 124 HG3 ARG 124 4.280 -44.974 9.295 1042 HD2 ARG 124 HD2 ARG 124 6.061 -46.207 11.320 1043 HD3 ARG 124 HD3 ARG 124 6.257 -46.724 9.647 1044 HE ARG 124 HE ARG 124 7.045 -44.622 9.102 1045 HH11 ARG 124 HH11 ARG 124 5.857 -44.634 12.388 1046 HH12 ARG 124 HH12 ARG 124 6.561 -43.101 12.777 1047 HH21 ARG 124 HH21 ARG 124 7.968 -42.606 9.617 1048 HH22 ARG 124 HH22 ARG 124 7.756 -41.950 11.207 1049 H ILE 125 H ILE 125 0.821 -47.191 10.122 1050 HA ILE 125 HA ILE 125 0.539 -48.722 12.617 1051 HB ILE 125 HB ILE 125 -1.353 -49.830 11.100 1052 HG12 ILE 125 HG12 ILE 125 -2.549 -48.038 9.850 1053 HG13 ILE 125 HG13 ILE 125 -1.163 -46.982 10.105 1054 HG21 ILE 125 HG21 ILE 125 -1.583 -48.790 13.338 1055 HG22 ILE 125 HG22 ILE 125 -2.965 -48.501 12.280 1056 HG23 ILE 125 HG23 ILE 125 -1.777 -47.225 12.547 1057 HD11 ILE 125 HD11 ILE 125 0.220 -48.705 8.903 1058 HD12 ILE 125 HD12 ILE 125 -0.971 -47.848 7.922 1059 HD13 ILE 125 HD13 ILE 125 -1.296 -49.494 8.470 1060 H ASP 126 H ASP 126 2.870 -48.935 11.047 1061 HA ASP 126 HA ASP 126 4.266 -50.513 10.188 1062 HB2 ASP 126 HB2 ASP 126 2.997 -51.852 12.047 1063 HB3 ASP 126 HB3 ASP 126 2.223 -52.652 10.682 1064 H ASP 127 H ASP 127 3.842 -49.498 8.113 1065 HA ASP 127 HA ASP 127 1.878 -50.506 6.329 1066 HB2 ASP 127 HB2 ASP 127 3.023 -48.259 6.173 1067 HB3 ASP 127 HB3 ASP 127 4.445 -49.106 5.571 1068 H SER 128 H SER 128 2.081 -52.765 6.348 1069 HA SER 128 HA SER 128 3.779 -53.838 4.356 1070 HB2 SER 128 HB2 SER 128 4.668 -54.046 7.184 1071 HB3 SER 128 HB3 SER 128 4.804 -55.503 6.198 1072 HG SER 128 HG SER 128 6.031 -54.293 4.706 1073 H SER 129 H SER 129 3.425 -56.135 4.012 1074 HA SER 129 HA SER 129 1.548 -57.599 5.565 1075 HB2 SER 129 HB2 SER 129 0.574 -56.189 3.092 1076 HB3 SER 129 HB3 SER 129 -0.159 -57.706 3.616 1077 HG SER 129 HG SER 129 -0.394 -56.588 5.720 1078 H ASP 130 H ASP 130 3.098 -59.212 5.406 1079 HA ASP 130 HA ASP 130 2.886 -60.902 3.115 1080 HB2 ASP 130 HB2 ASP 130 4.644 -59.054 2.548 1081 HB3 ASP 130 HB3 ASP 130 5.693 -59.974 3.622 1082 H LEU 131 H LEU 131 3.798 -62.974 3.453 1083 HA LEU 131 HA LEU 131 3.739 -63.879 6.102 1084 HB2 LEU 131 HB2 LEU 131 4.100 -65.010 3.481 1085 HB3 LEU 131 HB3 LEU 131 5.232 -65.741 4.603 1086 HG LEU 131 HG LEU 131 3.111 -66.032 6.115 1087 HD11 LEU 131 HD11 LEU 131 1.430 -64.921 4.983 1088 HD12 LEU 131 HD12 LEU 131 1.170 -66.596 4.497 1089 HD13 LEU 131 HD13 LEU 131 1.983 -65.476 3.403 1090 HD21 LEU 131 HD21 LEU 131 3.013 -67.891 3.828 1091 HD22 LEU 131 HD22 LEU 131 3.189 -68.216 5.552 1092 HD23 LEU 131 HD23 LEU 131 4.583 -67.698 4.605 1093 H LEU 132 H LEU 132 6.585 -64.112 3.970 1094 HA LEU 132 HA LEU 132 8.332 -64.090 6.276 1095 HB2 LEU 132 HB2 LEU 132 8.471 -65.344 3.879 1096 HB3 LEU 132 HB3 LEU 132 9.494 -63.956 3.565 1097 HG LEU 132 HG LEU 132 10.744 -65.960 4.324 1098 HD11 LEU 132 HD11 LEU 132 10.796 -63.397 5.859 1099 HD12 LEU 132 HD12 LEU 132 11.940 -64.016 4.669 1100 HD13 LEU 132 HD13 LEU 132 11.891 -64.710 6.288 1101 HD21 LEU 132 HD21 LEU 132 8.728 -66.377 6.051 1102 HD22 LEU 132 HD22 LEU 132 9.878 -65.566 7.116 1103 HD23 LEU 132 HD23 LEU 132 10.348 -67.039 6.266 1104 H LYS 133 H LYS 133 8.356 -62.068 7.160 1105 HA LYS 133 HA LYS 133 8.573 -59.689 5.591 1106 HB2 LYS 133 HB2 LYS 133 7.687 -60.126 8.072 1107 HB3 LYS 133 HB3 LYS 133 9.342 -59.681 8.465 1108 HG2 LYS 133 HG2 LYS 133 8.942 -57.615 7.017 1109 HG3 LYS 133 HG3 LYS 133 7.232 -58.034 7.121 1110 HD2 LYS 133 HD2 LYS 133 7.488 -58.045 9.618 1111 HD3 LYS 133 HD3 LYS 133 9.108 -57.385 9.389 1112 HE2 LYS 133 HE2 LYS 133 7.924 -55.449 9.680 1113 HE3 LYS 133 HE3 LYS 133 7.817 -55.617 7.928 1114 HZ1 LYS 133 HZ1 LYS 133 5.650 -55.193 8.549 1115 HZ2 LYS 133 HZ2 LYS 133 5.745 -56.120 9.962 1116 HZ3 LYS 133 HZ3 LYS 133 5.658 -56.881 8.455 1117 H THR 134 H THR 134 10.337 -58.580 4.975 1118 HA THR 134 HA THR 134 12.949 -59.385 6.052 1119 HB THR 134 HB THR 134 13.918 -59.290 3.792 1120 HG1 THR 134 HG1 THR 134 11.231 -59.009 2.933 1121 HG21 THR 134 HG21 THR 134 12.464 -61.376 4.789 1122 HG22 THR 134 HG22 THR 134 13.495 -61.428 3.360 1123 HG23 THR 134 HG23 THR 134 11.762 -61.146 3.187 1124 H ASP 135 H ASP 135 13.612 -57.615 7.090 1125 HA ASP 135 HA ASP 135 13.576 -55.070 5.616 1126 HB2 ASP 135 HB2 ASP 135 12.730 -55.593 8.455 1127 HB3 ASP 135 HB3 ASP 135 13.304 -54.003 7.960 1128 H GLU 136 H GLU 136 15.774 -55.975 5.120 1129 HA GLU 136 HA GLU 136 17.671 -55.490 7.317 1130 HB2 GLU 136 HB2 GLU 136 19.294 -56.707 5.783 1131 HB3 GLU 136 HB3 GLU 136 18.006 -57.676 6.483 1132 HG2 GLU 136 HG2 GLU 136 16.848 -57.809 4.462 1133 HG3 GLU 136 HG3 GLU 136 17.746 -56.466 3.756 1134 H ILE 137 H ILE 137 16.775 -54.568 4.067 1135 HA ILE 137 HA ILE 137 18.774 -52.403 4.189 1136 HB ILE 137 HB ILE 137 18.782 -52.479 1.668 1137 HG12 ILE 137 HG12 ILE 137 17.799 -55.304 1.921 1138 HG13 ILE 137 HG13 ILE 137 16.645 -53.986 1.731 1139 HG21 ILE 137 HG21 ILE 137 20.606 -53.847 1.658 1140 HG22 ILE 137 HG22 ILE 137 19.818 -55.093 2.627 1141 HG23 ILE 137 HG23 ILE 137 20.420 -53.625 3.398 1142 HD11 ILE 137 HD11 ILE 137 18.492 -53.499 -0.248 1143 HD12 ILE 137 HD12 ILE 137 16.919 -54.269 -0.452 1144 HD13 ILE 137 HD13 ILE 137 18.361 -55.258 -0.227 Start of MODEL 8 1 H1 GLY -2 H1 GLY -2 -14.297 3.509 -18.889 2 H2 GLY -2 H2 GLY -2 -13.764 2.167 -18.006 3 H3 GLY -2 H3 GLY -2 -12.640 3.211 -18.717 4 HA2 GLY -2 HA2 GLY -2 -14.558 4.109 -16.649 5 HA3 GLY -2 HA3 GLY -2 -12.975 3.464 -16.243 6 H HIS -1 H HIS -1 -12.190 5.359 -15.363 7 HA HIS -1 HA HIS -1 -11.492 7.417 -17.329 8 HB2 HIS -1 HB2 HIS -1 -12.830 7.896 -14.667 9 HB3 HIS -1 HB3 HIS -1 -11.936 9.153 -15.515 10 HD1 HIS -1 HD1 HIS -1 -12.960 8.490 -18.396 11 HD2 HIS -1 HD2 HIS -1 -15.361 8.885 -15.027 12 HE1 HIS -1 HE1 HIS -1 -15.247 9.072 -19.265 13 HE2 HIS -1 HE2 HIS -1 -16.661 9.395 -17.204 14 H MET 0 H MET 0 -9.370 7.709 -17.318 15 HA MET 0 HA MET 0 -7.702 6.592 -15.296 16 HB2 MET 0 HB2 MET 0 -7.384 7.643 -17.934 17 HB3 MET 0 HB3 MET 0 -6.224 8.440 -16.879 18 HG2 MET 0 HG2 MET 0 -6.450 5.507 -16.628 19 HG3 MET 0 HG3 MET 0 -5.737 6.129 -18.114 20 HE1 MET 0 HE1 MET 0 -3.404 6.632 -18.391 21 HE2 MET 0 HE2 MET 0 -2.353 7.388 -17.193 22 HE3 MET 0 HE3 MET 0 -3.761 8.256 -17.805 23 H MET 1 H MET 1 -8.645 7.739 -13.457 24 HA MET 1 HA MET 1 -7.681 10.507 -13.201 25 HB2 MET 1 HB2 MET 1 -10.189 9.483 -12.704 26 HB3 MET 1 HB3 MET 1 -9.472 9.523 -11.100 27 HG2 MET 1 HG2 MET 1 -8.785 11.968 -11.987 28 HG3 MET 1 HG3 MET 1 -10.292 11.725 -12.869 29 HE1 MET 1 HE1 MET 1 -11.240 13.570 -12.068 30 HE2 MET 1 HE2 MET 1 -11.623 14.031 -10.410 31 HE3 MET 1 HE3 MET 1 -12.662 12.896 -11.272 32 H SER 2 H SER 2 -7.426 10.950 -10.634 33 HA SER 2 HA SER 2 -5.450 8.964 -9.728 34 HB2 SER 2 HB2 SER 2 -5.495 11.930 -9.705 35 HB3 SER 2 HB3 SER 2 -4.800 11.147 -8.286 36 HG SER 2 HG SER 2 -3.411 10.001 -9.717 37 H LYS 3 H LYS 3 -7.449 7.871 -8.874 38 HA LYS 3 HA LYS 3 -7.731 8.556 -6.075 39 HB2 LYS 3 HB2 LYS 3 -9.577 9.688 -7.640 40 HB3 LYS 3 HB3 LYS 3 -10.323 8.106 -7.461 41 HG2 LYS 3 HG2 LYS 3 -9.614 8.746 -4.884 42 HG3 LYS 3 HG3 LYS 3 -10.106 10.299 -5.563 43 HD2 LYS 3 HD2 LYS 3 -11.886 8.067 -6.234 44 HD3 LYS 3 HD3 LYS 3 -11.802 8.436 -4.511 45 HE2 LYS 3 HE2 LYS 3 -12.047 10.775 -6.270 46 HE3 LYS 3 HE3 LYS 3 -13.436 9.688 -6.284 47 HZ1 LYS 3 HZ1 LYS 3 -13.765 11.319 -4.597 48 HZ2 LYS 3 HZ2 LYS 3 -12.242 11.028 -3.920 49 HZ3 LYS 3 HZ3 LYS 3 -13.450 9.847 -3.825 50 H LEU 4 H LEU 4 -6.612 6.373 -7.657 51 HA LEU 4 HA LEU 4 -8.402 4.133 -7.316 52 HB2 LEU 4 HB2 LEU 4 -5.987 4.672 -8.755 53 HB3 LEU 4 HB3 LEU 4 -5.748 3.243 -7.769 54 HG LEU 4 HG LEU 4 -8.154 3.500 -9.545 55 HD11 LEU 4 HD11 LEU 4 -5.838 1.979 -10.547 56 HD12 LEU 4 HD12 LEU 4 -5.702 3.736 -10.615 57 HD13 LEU 4 HD13 LEU 4 -7.044 2.923 -11.420 58 HD21 LEU 4 HD21 LEU 4 -8.531 1.640 -8.308 59 HD22 LEU 4 HD22 LEU 4 -6.817 1.387 -7.967 60 HD23 LEU 4 HD23 LEU 4 -7.486 0.909 -9.528 61 H PHE 5 H PHE 5 -5.732 5.602 -5.618 62 HA PHE 5 HA PHE 5 -5.040 3.497 -3.909 63 HB2 PHE 5 HB2 PHE 5 -3.700 5.553 -4.150 64 HB3 PHE 5 HB3 PHE 5 -4.969 6.470 -3.344 65 HD1 PHE 5 HD1 PHE 5 -5.462 6.039 -0.948 66 HD2 PHE 5 HD2 PHE 5 -2.117 4.303 -2.925 67 HE1 PHE 5 HE1 PHE 5 -4.434 5.545 1.233 68 HE2 PHE 5 HE2 PHE 5 -1.083 3.804 -0.748 69 HZ PHE 5 HZ PHE 5 -2.242 4.427 1.333 70 H LEU 6 H LEU 6 -7.529 5.989 -3.631 71 HA LEU 6 HA LEU 6 -8.348 5.210 -1.003 72 HB2 LEU 6 HB2 LEU 6 -9.557 6.966 -3.124 73 HB3 LEU 6 HB3 LEU 6 -10.399 6.619 -1.625 74 HG LEU 6 HG LEU 6 -8.083 7.467 -0.592 75 HD11 LEU 6 HD11 LEU 6 -6.774 8.116 -2.323 76 HD12 LEU 6 HD12 LEU 6 -7.692 9.609 -2.134 77 HD13 LEU 6 HD13 LEU 6 -8.144 8.447 -3.383 78 HD21 LEU 6 HD21 LEU 6 -9.285 9.235 0.130 79 HD22 LEU 6 HD22 LEU 6 -10.618 8.359 -0.625 80 HD23 LEU 6 HD23 LEU 6 -9.823 9.673 -1.493 81 H ASP 7 H ASP 7 -9.212 4.290 -4.250 82 HA ASP 7 HA ASP 7 -11.706 3.120 -3.793 83 HB2 ASP 7 HB2 ASP 7 -10.444 3.537 -6.017 84 HB3 ASP 7 HB3 ASP 7 -9.718 1.959 -5.728 85 H GLU 8 H GLU 8 -8.511 2.023 -2.998 86 HA GLU 8 HA GLU 8 -9.506 -0.652 -2.350 87 HB2 GLU 8 HB2 GLU 8 -6.663 0.366 -2.238 88 HB3 GLU 8 HB3 GLU 8 -7.191 -1.309 -2.141 89 HG2 GLU 8 HG2 GLU 8 -8.133 -1.015 -4.466 90 HG3 GLU 8 HG3 GLU 8 -7.261 0.517 -4.523 91 H LEU 9 H LEU 9 -10.328 1.616 -0.786 92 HA LEU 9 HA LEU 9 -9.367 0.707 1.822 93 HB2 LEU 9 HB2 LEU 9 -9.485 3.597 0.958 94 HB3 LEU 9 HB3 LEU 9 -9.266 3.069 2.615 95 HG LEU 9 HG LEU 9 -7.356 2.449 0.363 96 HD11 LEU 9 HD11 LEU 9 -7.726 4.903 1.423 97 HD12 LEU 9 HD12 LEU 9 -6.177 4.307 0.830 98 HD13 LEU 9 HD13 LEU 9 -6.547 4.236 2.553 99 HD21 LEU 9 HD21 LEU 9 -7.216 2.007 3.340 100 HD22 LEU 9 HD22 LEU 9 -5.846 1.839 2.243 101 HD23 LEU 9 HD23 LEU 9 -7.245 0.776 2.076 102 HA PRO 10 HA PRO 10 -13.626 0.888 2.941 103 HB2 PRO 10 HB2 PRO 10 -13.498 1.579 5.569 104 HB3 PRO 10 HB3 PRO 10 -13.072 -0.027 4.970 105 HG2 PRO 10 HG2 PRO 10 -11.285 2.266 5.676 106 HG3 PRO 10 HG3 PRO 10 -11.087 0.541 6.037 107 HD2 PRO 10 HD2 PRO 10 -9.771 1.764 4.015 108 HD3 PRO 10 HD3 PRO 10 -10.281 0.066 3.930 109 H GLU 11 H GLU 11 -15.357 2.295 3.276 110 HA GLU 11 HA GLU 11 -15.005 4.958 2.485 111 HB2 GLU 11 HB2 GLU 11 -17.395 5.242 3.203 112 HB3 GLU 11 HB3 GLU 11 -17.112 3.907 2.094 113 HG2 GLU 11 HG2 GLU 11 -16.850 2.889 4.714 114 HG3 GLU 11 HG3 GLU 11 -18.311 3.874 4.674 115 H SER 12 H SER 12 -15.100 3.478 5.648 116 HA SER 12 HA SER 12 -15.569 5.756 7.209 117 HB2 SER 12 HB2 SER 12 -14.567 3.037 7.649 118 HB3 SER 12 HB3 SER 12 -13.890 4.221 8.768 119 HG SER 12 HG SER 12 -16.654 3.820 8.256 120 H LEU 13 H LEU 13 -12.508 4.303 6.132 121 HA LEU 13 HA LEU 13 -10.944 6.435 7.274 122 HB2 LEU 13 HB2 LEU 13 -10.232 4.130 5.465 123 HB3 LEU 13 HB3 LEU 13 -9.060 5.291 6.057 124 HG LEU 13 HG LEU 13 -10.759 3.758 7.993 125 HD11 LEU 13 HD11 LEU 13 -9.593 1.845 7.814 126 HD12 LEU 13 HD12 LEU 13 -8.092 2.672 7.400 127 HD13 LEU 13 HD13 LEU 13 -9.317 2.397 6.162 128 HD21 LEU 13 HD21 LEU 13 -9.599 5.251 9.237 129 HD22 LEU 13 HD22 LEU 13 -8.309 5.413 8.044 130 HD23 LEU 13 HD23 LEU 13 -8.347 4.014 9.118 131 H SER 14 H SER 14 -12.041 5.484 4.055 132 HA SER 14 HA SER 14 -10.587 7.185 2.458 133 HB2 SER 14 HB2 SER 14 -12.282 5.449 1.724 134 HB3 SER 14 HB3 SER 14 -13.532 6.649 2.051 135 HG SER 14 HG SER 14 -11.512 6.672 0.092 136 H ARG 15 H ARG 15 -13.158 7.969 4.662 137 HA ARG 15 HA ARG 15 -13.876 10.488 3.622 138 HB2 ARG 15 HB2 ARG 15 -14.810 8.922 5.634 139 HB3 ARG 15 HB3 ARG 15 -13.973 10.164 6.556 140 HG2 ARG 15 HG2 ARG 15 -15.486 11.746 6.048 141 HG3 ARG 15 HG3 ARG 15 -15.708 11.157 4.401 142 HD2 ARG 15 HD2 ARG 15 -17.222 9.490 5.091 143 HD3 ARG 15 HD3 ARG 15 -16.771 9.669 6.786 144 HE ARG 15 HE ARG 15 -17.856 12.081 5.748 145 HH11 ARG 15 HH11 ARG 15 -18.753 8.909 6.893 146 HH12 ARG 15 HH12 ARG 15 -20.335 9.401 7.396 147 HH21 ARG 15 HH21 ARG 15 -19.936 12.731 6.412 148 HH22 ARG 15 HH22 ARG 15 -21.006 11.571 7.124 149 H LYS 16 H LYS 16 -11.555 9.572 6.155 150 HA LYS 16 HA LYS 16 -10.637 12.284 6.476 151 HB2 LYS 16 HB2 LYS 16 -9.627 9.656 7.571 152 HB3 LYS 16 HB3 LYS 16 -8.925 11.217 7.975 153 HG2 LYS 16 HG2 LYS 16 -10.372 11.350 9.645 154 HG3 LYS 16 HG3 LYS 16 -11.655 11.513 8.446 155 HD2 LYS 16 HD2 LYS 16 -11.199 8.799 8.499 156 HD3 LYS 16 HD3 LYS 16 -10.987 9.268 10.187 157 HE2 LYS 16 HE2 LYS 16 -13.390 9.802 8.444 158 HE3 LYS 16 HE3 LYS 16 -13.295 8.678 9.799 159 HZ1 LYS 16 HZ1 LYS 16 -12.930 11.614 10.033 160 HZ2 LYS 16 HZ2 LYS 16 -13.011 10.499 11.304 161 HZ3 LYS 16 HZ3 LYS 16 -14.379 10.804 10.356 162 H ILE 17 H ILE 17 -9.385 9.311 5.013 163 HA ILE 17 HA ILE 17 -6.851 10.258 4.307 164 HB ILE 17 HB ILE 17 -8.523 8.221 2.830 165 HG12 ILE 17 HG12 ILE 17 -6.474 7.835 5.025 166 HG13 ILE 17 HG13 ILE 17 -8.217 7.713 5.237 167 HG21 ILE 17 HG21 ILE 17 -5.666 9.054 2.646 168 HG22 ILE 17 HG22 ILE 17 -6.802 8.628 1.365 169 HG23 ILE 17 HG23 ILE 17 -6.088 7.365 2.368 170 HD11 ILE 17 HD11 ILE 17 -7.328 5.515 5.066 171 HD12 ILE 17 HD12 ILE 17 -6.450 5.924 3.593 172 HD13 ILE 17 HD13 ILE 17 -8.213 5.856 3.580 173 H GLY 18 H GLY 18 -9.857 10.185 2.389 174 HA2 GLY 18 HA2 GLY 18 -8.815 11.364 0.072 175 HA3 GLY 18 HA3 GLY 18 -10.503 11.397 0.552 176 H THR 19 H THR 19 -9.811 12.792 3.090 177 HA THR 19 HA THR 19 -9.962 15.467 2.037 178 HB THR 19 HB THR 19 -9.790 15.796 4.737 179 HG1 THR 19 HG1 THR 19 -10.973 14.033 5.624 180 HG21 THR 19 HG21 THR 19 -12.221 15.753 4.813 181 HG22 THR 19 HG22 THR 19 -12.260 14.957 3.239 182 HG23 THR 19 HG23 THR 19 -11.636 16.602 3.382 183 H VAL 20 H VAL 20 -7.645 13.601 3.959 184 HA VAL 20 HA VAL 20 -5.823 15.784 4.270 185 HB VAL 20 HB VAL 20 -5.896 13.938 5.889 186 HG11 VAL 20 HG11 VAL 20 -5.044 11.751 5.374 187 HG12 VAL 20 HG12 VAL 20 -4.648 12.247 3.730 188 HG13 VAL 20 HG13 VAL 20 -6.332 12.142 4.235 189 HG21 VAL 20 HG21 VAL 20 -3.498 14.943 4.595 190 HG22 VAL 20 HG22 VAL 20 -3.234 13.390 5.388 191 HG23 VAL 20 HG23 VAL 20 -3.865 14.756 6.310 192 H VAL 21 H VAL 21 -5.924 12.915 2.171 193 HA VAL 21 HA VAL 21 -3.471 13.193 0.918 194 HB VAL 21 HB VAL 21 -6.051 12.234 -0.336 195 HG11 VAL 21 HG11 VAL 21 -4.622 11.009 -1.892 196 HG12 VAL 21 HG12 VAL 21 -3.190 11.727 -1.154 197 HG13 VAL 21 HG13 VAL 21 -4.345 12.747 -2.011 198 HG21 VAL 21 HG21 VAL 21 -3.973 10.352 0.605 199 HG22 VAL 21 HG22 VAL 21 -5.731 10.201 0.615 200 HG23 VAL 21 HG23 VAL 21 -4.921 11.173 1.844 201 H ARG 22 H ARG 22 -6.383 15.052 0.499 202 HA ARG 22 HA ARG 22 -5.953 16.165 -2.018 203 HB2 ARG 22 HB2 ARG 22 -7.371 17.096 0.449 204 HB3 ARG 22 HB3 ARG 22 -7.176 18.204 -0.903 205 HG2 ARG 22 HG2 ARG 22 -8.419 16.792 -2.351 206 HG3 ARG 22 HG3 ARG 22 -8.406 15.473 -1.178 207 HD2 ARG 22 HD2 ARG 22 -9.539 17.442 0.291 208 HD3 ARG 22 HD3 ARG 22 -10.109 17.871 -1.321 209 HE ARG 22 HE ARG 22 -10.565 15.163 -1.041 210 HH11 ARG 22 HH11 ARG 22 -11.580 18.094 0.561 211 HH12 ARG 22 HH12 ARG 22 -13.113 17.449 1.041 212 HH21 ARG 22 HH21 ARG 22 -12.583 14.314 -0.408 213 HH22 ARG 22 HH22 ARG 22 -13.682 15.304 0.492 214 H VAL 23 H VAL 23 -4.466 16.845 1.056 215 HA VAL 23 HA VAL 23 -3.242 19.312 0.211 216 HB VAL 23 HB VAL 23 -2.644 17.583 2.619 217 HG11 VAL 23 HG11 VAL 23 -0.784 18.915 2.516 218 HG12 VAL 23 HG12 VAL 23 -1.868 19.964 3.430 219 HG13 VAL 23 HG13 VAL 23 -1.634 20.229 1.702 220 HG21 VAL 23 HG21 VAL 23 -4.084 20.136 2.916 221 HG22 VAL 23 HG22 VAL 23 -4.304 18.602 3.757 222 HG23 VAL 23 HG23 VAL 23 -4.983 18.830 2.145 223 H LEU 24 H LEU 24 -2.082 16.016 0.900 224 HA LEU 24 HA LEU 24 0.308 16.614 -0.713 225 HB2 LEU 24 HB2 LEU 24 0.023 15.493 1.933 226 HB3 LEU 24 HB3 LEU 24 0.857 14.371 0.878 227 HG LEU 24 HG LEU 24 2.387 16.326 0.272 228 HD11 LEU 24 HD11 LEU 24 0.656 17.560 2.289 229 HD12 LEU 24 HD12 LEU 24 1.627 18.299 1.016 230 HD13 LEU 24 HD13 LEU 24 2.383 17.818 2.535 231 HD21 LEU 24 HD21 LEU 24 3.785 15.224 1.592 232 HD22 LEU 24 HD22 LEU 24 2.414 14.476 2.413 233 HD23 LEU 24 HD23 LEU 24 3.080 15.994 3.013 234 HA PRO 25 HA PRO 25 -2.191 13.196 -2.732 235 HB2 PRO 25 HB2 PRO 25 -2.266 14.325 -5.202 236 HB3 PRO 25 HB3 PRO 25 -3.482 14.647 -3.960 237 HG2 PRO 25 HG2 PRO 25 -1.108 16.288 -4.759 238 HG3 PRO 25 HG3 PRO 25 -2.763 16.815 -4.397 239 HD2 PRO 25 HD2 PRO 25 -0.745 17.030 -2.607 240 HD3 PRO 25 HD3 PRO 25 -2.426 16.732 -2.118 241 H SER 26 H SER 26 0.688 15.003 -3.565 242 HA SER 26 HA SER 26 1.668 12.991 -5.392 243 HB2 SER 26 HB2 SER 26 3.800 14.455 -5.209 244 HB3 SER 26 HB3 SER 26 2.376 15.147 -5.986 245 HG SER 26 HG SER 26 2.754 16.687 -4.580 246 H SER 27 H SER 27 2.230 13.995 -2.062 247 HA SER 27 HA SER 27 4.482 12.323 -1.611 248 HB2 SER 27 HB2 SER 27 4.291 14.051 -0.056 249 HB3 SER 27 HB3 SER 27 2.561 13.793 0.166 250 HG SER 27 HG SER 27 3.665 13.004 1.955 251 H LEU 28 H LEU 28 1.038 11.817 -1.511 252 HA LEU 28 HA LEU 28 0.944 9.497 0.053 253 HB2 LEU 28 HB2 LEU 28 -1.169 10.230 -0.279 254 HB3 LEU 28 HB3 LEU 28 -0.811 10.865 -1.871 255 HG LEU 28 HG LEU 28 -0.980 8.585 -2.803 256 HD11 LEU 28 HD11 LEU 28 -0.549 7.703 -0.285 257 HD12 LEU 28 HD12 LEU 28 -1.249 6.723 -1.573 258 HD13 LEU 28 HD13 LEU 28 -2.300 7.519 -0.403 259 HD21 LEU 28 HD21 LEU 28 -3.418 8.362 -2.557 260 HD22 LEU 28 HD22 LEU 28 -2.924 10.032 -2.845 261 HD23 LEU 28 HD23 LEU 28 -3.374 9.513 -1.220 262 H GLU 29 H GLU 29 1.847 10.015 -3.276 263 HA GLU 29 HA GLU 29 1.614 7.406 -4.257 264 HB2 GLU 29 HB2 GLU 29 3.690 9.473 -5.003 265 HB3 GLU 29 HB3 GLU 29 3.225 8.077 -5.965 266 HG2 GLU 29 HG2 GLU 29 0.878 9.555 -5.366 267 HG3 GLU 29 HG3 GLU 29 2.103 10.677 -5.954 268 H ILE 30 H ILE 30 4.228 8.989 -2.489 269 HA ILE 30 HA ILE 30 6.107 6.889 -2.709 270 HB ILE 30 HB ILE 30 5.897 8.921 -0.484 271 HG12 ILE 30 HG12 ILE 30 7.625 9.170 -2.937 272 HG13 ILE 30 HG13 ILE 30 5.973 9.775 -2.923 273 HG21 ILE 30 HG21 ILE 30 7.524 7.585 0.328 274 HG22 ILE 30 HG22 ILE 30 8.529 8.476 -0.815 275 HG23 ILE 30 HG23 ILE 30 7.892 6.890 -1.249 276 HD11 ILE 30 HD11 ILE 30 7.936 10.596 -0.823 277 HD12 ILE 30 HD12 ILE 30 6.457 11.406 -1.341 278 HD13 ILE 30 HD13 ILE 30 7.874 11.399 -2.391 279 H PHE 31 H PHE 31 3.709 7.696 -0.222 280 HA PHE 31 HA PHE 31 4.393 5.619 1.562 281 HB2 PHE 31 HB2 PHE 31 1.774 7.087 1.191 282 HB3 PHE 31 HB3 PHE 31 2.148 6.032 2.550 283 HD1 PHE 31 HD1 PHE 31 4.750 6.710 3.412 284 HD2 PHE 31 HD2 PHE 31 1.743 9.279 1.845 285 HE1 PHE 31 HE1 PHE 31 5.755 8.609 4.611 286 HE2 PHE 31 HE2 PHE 31 2.743 11.186 3.037 287 HZ PHE 31 HZ PHE 31 4.752 10.851 4.424 288 H GLU 32 H GLU 32 2.456 5.711 -1.325 289 HA GLU 32 HA GLU 32 0.867 3.447 -0.964 290 HB2 GLU 32 HB2 GLU 32 0.573 5.005 -2.835 291 HB3 GLU 32 HB3 GLU 32 2.110 4.491 -3.517 292 HG2 GLU 32 HG2 GLU 32 0.566 2.165 -3.132 293 HG3 GLU 32 HG3 GLU 32 -0.485 3.370 -3.876 294 H GLU 33 H GLU 33 4.117 3.728 -2.373 295 HA GLU 33 HA GLU 33 4.409 0.915 -2.772 296 HB2 GLU 33 HB2 GLU 33 5.639 2.765 -4.012 297 HB3 GLU 33 HB3 GLU 33 6.643 2.933 -2.578 298 HG2 GLU 33 HG2 GLU 33 7.449 0.687 -2.808 299 HG3 GLU 33 HG3 GLU 33 6.331 0.379 -4.135 300 H LEU 34 H LEU 34 4.891 3.068 -0.117 301 HA LEU 34 HA LEU 34 6.765 1.542 1.356 302 HB2 LEU 34 HB2 LEU 34 5.821 4.012 1.634 303 HB3 LEU 34 HB3 LEU 34 4.734 3.210 2.752 304 HG LEU 34 HG LEU 34 7.730 3.441 2.925 305 HD11 LEU 34 HD11 LEU 34 7.280 4.499 5.027 306 HD12 LEU 34 HD12 LEU 34 5.560 4.129 4.898 307 HD13 LEU 34 HD13 LEU 34 6.299 5.280 3.787 308 HD21 LEU 34 HD21 LEU 34 7.514 2.036 4.987 309 HD22 LEU 34 HD22 LEU 34 7.291 1.161 3.471 310 HD23 LEU 34 HD23 LEU 34 5.890 1.604 4.449 311 H TYR 35 H TYR 35 3.217 1.788 1.555 312 HA TYR 35 HA TYR 35 2.956 -0.170 3.583 313 HB2 TYR 35 HB2 TYR 35 0.670 0.142 3.402 314 HB3 TYR 35 HB3 TYR 35 1.273 1.658 2.746 315 HD1 TYR 35 HD1 TYR 35 0.020 -1.699 1.735 316 HD2 TYR 35 HD2 TYR 35 0.638 2.355 0.610 317 HE1 TYR 35 HE1 TYR 35 -1.274 -2.080 -0.321 318 HE2 TYR 35 HE2 TYR 35 -0.652 1.987 -1.451 319 HH TYR 35 HH TYR 35 -1.562 -1.149 -2.514 320 H LYS 36 H LYS 36 3.082 -0.328 0.095 321 HA LYS 36 HA LYS 36 2.201 -3.052 -0.077 322 HB2 LYS 36 HB2 LYS 36 2.054 -1.285 -1.910 323 HB3 LYS 36 HB3 LYS 36 3.773 -1.550 -2.165 324 HG2 LYS 36 HG2 LYS 36 3.038 -3.033 -3.683 325 HG3 LYS 36 HG3 LYS 36 2.899 -4.087 -2.275 326 HD2 LYS 36 HD2 LYS 36 0.514 -2.874 -2.150 327 HD3 LYS 36 HD3 LYS 36 0.792 -2.778 -3.890 328 HE2 LYS 36 HE2 LYS 36 1.142 -5.187 -3.978 329 HE3 LYS 36 HE3 LYS 36 0.910 -5.296 -2.234 330 HZ1 LYS 36 HZ1 LYS 36 -1.199 -5.721 -2.802 331 HZ2 LYS 36 HZ2 LYS 36 -1.049 -5.040 -4.344 332 HZ3 LYS 36 HZ3 LYS 36 -1.332 -4.047 -3.005 333 H TYR 37 H TYR 37 5.286 -1.393 0.126 334 HA TYR 37 HA TYR 37 6.976 -3.519 -0.567 335 HB2 TYR 37 HB2 TYR 37 7.826 -1.258 -0.410 336 HB3 TYR 37 HB3 TYR 37 7.431 -1.185 1.304 337 HD1 TYR 37 HD1 TYR 37 8.775 -2.430 2.942 338 HD2 TYR 37 HD2 TYR 37 9.815 -2.368 -1.182 339 HE1 TYR 37 HE1 TYR 37 11.021 -3.261 3.503 340 HE2 TYR 37 HE2 TYR 37 12.064 -3.197 -0.634 341 HH TYR 37 HH TYR 37 12.872 -4.402 2.474 342 H ALA 38 H ALA 38 5.829 -2.457 2.631 343 HA ALA 38 HA ALA 38 7.097 -4.550 4.062 344 HB1 ALA 38 HB1 ALA 38 6.581 -2.693 5.357 345 HB2 ALA 38 HB2 ALA 38 5.368 -3.874 5.851 346 HB3 ALA 38 HB3 ALA 38 4.937 -2.587 4.726 347 H LEU 39 H LEU 39 4.156 -4.360 2.260 348 HA LEU 39 HA LEU 39 2.899 -6.615 3.532 349 HB2 LEU 39 HB2 LEU 39 2.249 -4.726 1.362 350 HB3 LEU 39 HB3 LEU 39 1.571 -6.333 1.179 351 HG LEU 39 HG LEU 39 1.223 -4.873 3.768 352 HD11 LEU 39 HD11 LEU 39 -0.345 -3.451 3.014 353 HD12 LEU 39 HD12 LEU 39 -0.939 -4.583 1.799 354 HD13 LEU 39 HD13 LEU 39 0.508 -3.624 1.480 355 HD21 LEU 39 HD21 LEU 39 0.268 -6.876 4.120 356 HD22 LEU 39 HD22 LEU 39 0.105 -7.216 2.396 357 HD23 LEU 39 HD23 LEU 39 -1.078 -6.191 3.210 358 H ASN 40 H ASN 40 4.976 -6.060 0.782 359 HA ASN 40 HA ASN 40 4.555 -8.669 -0.356 360 HB2 ASN 40 HB2 ASN 40 5.350 -6.406 -1.487 361 HB3 ASN 40 HB3 ASN 40 6.942 -7.019 -1.051 362 HD21 ASN 40 HD21 ASN 40 7.717 -8.881 -2.031 363 HD22 ASN 40 HD22 ASN 40 7.005 -9.532 -3.464 364 H GLU 41 H GLU 41 6.997 -7.106 1.643 365 HA GLU 41 HA GLU 41 8.876 -9.209 1.613 366 HB2 GLU 41 HB2 GLU 41 9.822 -8.129 3.617 367 HB3 GLU 41 HB3 GLU 41 9.496 -6.973 2.331 368 HG2 GLU 41 HG2 GLU 41 8.733 -5.870 4.199 369 HG3 GLU 41 HG3 GLU 41 7.257 -6.596 3.562 370 H ASN 42 H ASN 42 5.916 -8.743 3.352 371 HA ASN 42 HA ASN 42 6.292 -10.360 5.577 372 HB2 ASN 42 HB2 ASN 42 4.264 -8.906 4.917 373 HB3 ASN 42 HB3 ASN 42 3.703 -10.327 4.043 374 HD21 ASN 42 HD21 ASN 42 4.082 -8.824 7.088 375 HD22 ASN 42 HD22 ASN 42 3.354 -10.067 8.045 376 H SER 43 H SER 43 5.972 -11.233 2.245 377 HA SER 43 HA SER 43 6.132 -13.224 1.159 378 HB2 SER 43 HB2 SER 43 6.747 -14.744 3.648 379 HB3 SER 43 HB3 SER 43 7.505 -14.832 2.058 380 HG SER 43 HG SER 43 8.653 -12.993 2.511 381 H ASN 44 H ASN 44 4.808 -14.930 0.613 382 HA ASN 44 HA ASN 44 2.909 -16.016 2.482 383 HB2 ASN 44 HB2 ASN 44 2.170 -13.720 0.973 384 HB3 ASN 44 HB3 ASN 44 1.288 -15.093 0.314 385 HD21 ASN 44 HD21 ASN 44 0.670 -12.676 2.104 386 HD22 ASN 44 HD22 ASN 44 -0.268 -13.363 3.383 387 H ASP 45 H ASP 45 1.353 -17.536 1.286 388 HA ASP 45 HA ASP 45 2.939 -19.273 -0.342 389 HB2 ASP 45 HB2 ASP 45 1.007 -19.804 1.383 390 HB3 ASP 45 HB3 ASP 45 -0.012 -19.652 -0.046 391 H ARG 46 H ARG 46 1.923 -20.249 -2.375 392 HA ARG 46 HA ARG 46 0.239 -18.577 -3.966 393 HB2 ARG 46 HB2 ARG 46 1.881 -18.002 -5.690 394 HB3 ARG 46 HB3 ARG 46 2.308 -17.285 -4.143 395 HG2 ARG 46 HG2 ARG 46 4.203 -18.485 -3.952 396 HG3 ARG 46 HG3 ARG 46 3.497 -19.920 -4.703 397 HD2 ARG 46 HD2 ARG 46 3.548 -18.452 -6.865 398 HD3 ARG 46 HD3 ARG 46 4.766 -17.535 -5.978 399 HE ARG 46 HE ARG 46 6.240 -19.260 -6.282 400 HH11 ARG 46 HH11 ARG 46 3.017 -20.389 -6.999 401 HH12 ARG 46 HH12 ARG 46 3.555 -21.911 -7.627 402 HH21 ARG 46 HH21 ARG 46 6.948 -21.261 -7.108 403 HH22 ARG 46 HH22 ARG 46 5.787 -22.406 -7.690 404 H SER 47 H SER 47 0.394 -21.335 -3.107 405 HA SER 47 HA SER 47 0.768 -22.707 -5.683 406 HB2 SER 47 HB2 SER 47 2.008 -23.433 -3.491 407 HB3 SER 47 HB3 SER 47 0.460 -24.173 -3.085 408 HG SER 47 HG SER 47 2.030 -24.671 -5.396 409 H GLU 48 H GLU 48 -1.125 -22.697 -6.733 410 HA GLU 48 HA GLU 48 -3.569 -23.327 -5.221 411 HB2 GLU 48 HB2 GLU 48 -4.778 -22.387 -7.180 412 HB3 GLU 48 HB3 GLU 48 -3.727 -21.222 -6.384 413 HG2 GLU 48 HG2 GLU 48 -2.422 -20.974 -8.184 414 HG3 GLU 48 HG3 GLU 48 -2.469 -22.690 -8.585 415 H HIS 49 H HIS 49 -5.256 -24.481 -6.673 416 HA HIS 49 HA HIS 49 -3.926 -26.844 -7.792 417 HB2 HIS 49 HB2 HIS 49 -6.632 -26.376 -6.575 418 HB3 HIS 49 HB3 HIS 49 -6.341 -27.780 -7.597 419 HD1 HIS 49 HD1 HIS 49 -3.621 -28.696 -6.643 420 HD2 HIS 49 HD2 HIS 49 -6.609 -27.392 -4.066 421 HE1 HIS 49 HE1 HIS 49 -3.079 -29.722 -4.413 422 HE2 HIS 49 HE2 HIS 49 -4.950 -28.991 -2.891 423 H HIS 50 H HIS 50 -3.971 -27.244 -9.904 424 HA HIS 50 HA HIS 50 -6.179 -26.560 -11.575 425 HB2 HIS 50 HB2 HIS 50 -4.244 -24.540 -11.218 426 HB3 HIS 50 HB3 HIS 50 -3.948 -25.221 -12.816 427 HD1 HIS 50 HD1 HIS 50 -7.029 -24.088 -10.871 428 HD2 HIS 50 HD2 HIS 50 -5.398 -23.939 -14.689 429 HE1 HIS 50 HE1 HIS 50 -8.665 -22.765 -12.248 430 HE2 HIS 50 HE2 HIS 50 -7.621 -22.625 -14.537 431 H LYS 51 H LYS 51 -2.695 -26.691 -12.280 432 HA LYS 51 HA LYS 51 -3.218 -29.066 -13.938 433 HB2 LYS 51 HB2 LYS 51 -2.334 -27.128 -15.156 434 HB3 LYS 51 HB3 LYS 51 -0.944 -27.076 -14.080 435 HG2 LYS 51 HG2 LYS 51 -0.903 -29.661 -15.017 436 HG3 LYS 51 HG3 LYS 51 -1.439 -28.732 -16.418 437 HD2 LYS 51 HD2 LYS 51 0.775 -27.488 -14.973 438 HD3 LYS 51 HD3 LYS 51 1.168 -29.081 -15.622 439 HE2 LYS 51 HE2 LYS 51 -0.032 -26.812 -17.207 440 HE3 LYS 51 HE3 LYS 51 1.681 -27.232 -17.188 441 HZ1 LYS 51 HZ1 LYS 51 1.346 -29.035 -18.478 442 HZ2 LYS 51 HZ2 LYS 51 -0.009 -28.163 -18.993 443 HZ3 LYS 51 HZ3 LYS 51 -0.178 -29.379 -17.830 444 H LYS 52 H LYS 52 -2.586 -30.938 -13.119 445 HA LYS 52 HA LYS 52 -0.655 -31.008 -10.950 446 HB2 LYS 52 HB2 LYS 52 -2.924 -32.484 -11.543 447 HB3 LYS 52 HB3 LYS 52 -1.610 -33.592 -11.911 448 HG2 LYS 52 HG2 LYS 52 -0.780 -32.655 -9.530 449 HG3 LYS 52 HG3 LYS 52 -2.528 -32.534 -9.325 450 HD2 LYS 52 HD2 LYS 52 -1.613 -35.050 -10.525 451 HD3 LYS 52 HD3 LYS 52 -1.058 -34.783 -8.871 452 HE2 LYS 52 HE2 LYS 52 -3.385 -34.368 -8.184 453 HE3 LYS 52 HE3 LYS 52 -3.916 -34.697 -9.833 454 HZ1 LYS 52 HZ1 LYS 52 -3.826 -36.542 -7.926 455 HZ2 LYS 52 HZ2 LYS 52 -2.283 -36.754 -8.589 456 HZ3 LYS 52 HZ3 LYS 52 -3.653 -36.903 -9.568 457 HA PRO 53 HA PRO 53 1.375 -34.008 -14.334 458 HB2 PRO 53 HB2 PRO 53 0.350 -32.492 -16.688 459 HB3 PRO 53 HB3 PRO 53 0.664 -34.222 -16.514 460 HG2 PRO 53 HG2 PRO 53 -1.827 -33.289 -16.471 461 HG3 PRO 53 HG3 PRO 53 -1.330 -34.606 -15.391 462 HD2 PRO 53 HD2 PRO 53 -1.796 -31.722 -14.778 463 HD3 PRO 53 HD3 PRO 53 -2.123 -33.157 -13.783 464 H ARG 54 H ARG 54 3.011 -33.315 -16.195 465 HA ARG 54 HA ARG 54 3.879 -30.550 -15.882 466 HB2 ARG 54 HB2 ARG 54 4.972 -32.448 -14.246 467 HB3 ARG 54 HB3 ARG 54 6.088 -32.474 -15.605 468 HG2 ARG 54 HG2 ARG 54 5.305 -29.863 -14.397 469 HG3 ARG 54 HG3 ARG 54 6.501 -30.880 -13.590 470 HD2 ARG 54 HD2 ARG 54 7.798 -29.505 -14.942 471 HD3 ARG 54 HD3 ARG 54 7.648 -30.981 -15.894 472 HE ARG 54 HE ARG 54 6.605 -29.750 -17.495 473 HH11 ARG 54 HH11 ARG 54 6.225 -28.096 -14.446 474 HH12 ARG 54 HH12 ARG 54 5.415 -26.733 -15.142 475 HH21 ARG 54 HH21 ARG 54 5.541 -27.959 -18.412 476 HH22 ARG 54 HH22 ARG 54 5.026 -26.655 -17.395 477 H ILE 55 H ILE 55 3.397 -30.292 -18.071 478 HA ILE 55 HA ILE 55 5.340 -31.553 -19.882 479 HB ILE 55 HB ILE 55 3.170 -32.657 -20.204 480 HG12 ILE 55 HG12 ILE 55 3.355 -30.986 -22.645 481 HG13 ILE 55 HG13 ILE 55 4.844 -31.772 -22.128 482 HG21 ILE 55 HG21 ILE 55 1.237 -31.460 -21.005 483 HG22 ILE 55 HG22 ILE 55 2.132 -29.941 -20.995 484 HG23 ILE 55 HG23 ILE 55 1.768 -30.759 -19.476 485 HD11 ILE 55 HD11 ILE 55 2.665 -32.868 -23.562 486 HD12 ILE 55 HD12 ILE 55 2.770 -33.691 -22.005 487 HD13 ILE 55 HD13 ILE 55 4.171 -33.648 -23.075 488 H ASP 56 H ASP 56 6.101 -30.271 -21.553 489 HA ASP 56 HA ASP 56 5.693 -27.410 -21.174 490 HB2 ASP 56 HB2 ASP 56 7.954 -28.871 -21.629 491 HB3 ASP 56 HB3 ASP 56 7.586 -28.293 -23.251 492 H ASP 57 H ASP 57 6.125 -29.434 -24.079 493 HA ASP 57 HA ASP 57 4.858 -27.650 -25.828 494 HB2 ASP 57 HB2 ASP 57 5.225 -30.646 -26.056 495 HB3 ASP 57 HB3 ASP 57 4.719 -29.595 -27.377 496 H SER 58 H SER 58 2.788 -27.345 -26.446 497 HA SER 58 HA SER 58 0.691 -29.189 -26.150 498 HB2 SER 58 HB2 SER 58 1.335 -28.210 -23.701 499 HB3 SER 58 HB3 SER 58 0.138 -27.022 -24.216 500 HG SER 58 HG SER 58 -1.253 -28.469 -23.606 501 H SER 59 H SER 59 1.546 -27.547 -28.189 502 HA SER 59 HA SER 59 0.773 -26.119 -29.782 503 HB2 SER 59 HB2 SER 59 -1.821 -26.463 -28.257 504 HB3 SER 59 HB3 SER 59 -1.682 -25.686 -29.833 505 HG SER 59 HG SER 59 -2.166 -27.757 -30.297 506 H ASP 60 H ASP 60 2.048 -25.023 -27.492 507 HA ASP 60 HA ASP 60 0.583 -22.626 -26.775 508 HB2 ASP 60 HB2 ASP 60 2.040 -23.870 -25.149 509 HB3 ASP 60 HB3 ASP 60 3.437 -23.353 -26.090 510 H LEU 61 H LEU 61 0.585 -20.874 -28.004 511 HA LEU 61 HA LEU 61 2.785 -20.473 -29.906 512 HB2 LEU 61 HB2 LEU 61 -0.089 -19.715 -29.853 513 HB3 LEU 61 HB3 LEU 61 1.017 -18.632 -30.677 514 HG LEU 61 HG LEU 61 1.792 -20.660 -32.008 515 HD11 LEU 61 HD11 LEU 61 0.839 -22.342 -30.473 516 HD12 LEU 61 HD12 LEU 61 0.298 -22.545 -32.139 517 HD13 LEU 61 HD13 LEU 61 -0.778 -21.819 -30.945 518 HD21 LEU 61 HD21 LEU 61 0.573 -19.278 -33.331 519 HD22 LEU 61 HD22 LEU 61 -0.794 -19.235 -32.217 520 HD23 LEU 61 HD23 LEU 61 -0.556 -20.632 -33.266 521 H LEU 62 H LEU 62 2.858 -17.898 -30.414 522 HA LEU 62 HA LEU 62 4.109 -16.777 -28.118 523 HB2 LEU 62 HB2 LEU 62 3.869 -16.165 -30.934 524 HB3 LEU 62 HB3 LEU 62 3.690 -14.714 -29.966 525 HG LEU 62 HG LEU 62 6.038 -16.611 -29.885 526 HD11 LEU 62 HD11 LEU 62 5.973 -15.273 -31.915 527 HD12 LEU 62 HD12 LEU 62 7.276 -14.738 -30.854 528 HD13 LEU 62 HD13 LEU 62 5.783 -13.804 -30.957 529 HD21 LEU 62 HD21 LEU 62 6.066 -15.796 -27.753 530 HD22 LEU 62 HD22 LEU 62 5.219 -14.312 -28.189 531 HD23 LEU 62 HD23 LEU 62 6.930 -14.497 -28.576 532 H LYS 63 H LYS 63 3.565 -14.750 -27.097 533 HA LYS 63 HA LYS 63 0.659 -14.253 -27.049 534 HB2 LYS 63 HB2 LYS 63 2.238 -15.140 -24.963 535 HB3 LYS 63 HB3 LYS 63 2.135 -13.409 -24.668 536 HG2 LYS 63 HG2 LYS 63 -0.261 -13.503 -24.614 537 HG3 LYS 63 HG3 LYS 63 -0.247 -15.199 -25.102 538 HD2 LYS 63 HD2 LYS 63 1.366 -14.669 -22.728 539 HD3 LYS 63 HD3 LYS 63 -0.339 -14.265 -22.514 540 HE2 LYS 63 HE2 LYS 63 -0.947 -16.414 -22.476 541 HE3 LYS 63 HE3 LYS 63 0.052 -16.808 -23.873 542 HZ1 LYS 63 HZ1 LYS 63 1.500 -16.307 -21.413 543 HZ2 LYS 63 HZ2 LYS 63 1.729 -17.510 -22.580 544 HZ3 LYS 63 HZ3 LYS 63 0.529 -17.691 -21.403 545 H THR 64 H THR 64 0.450 -11.979 -25.686 546 HA THR 64 HA THR 64 1.126 -9.994 -27.538 547 HB THR 64 HB THR 64 0.341 -8.395 -25.866 548 HG1 THR 64 HG1 THR 64 1.080 -9.021 -23.950 549 HG21 THR 64 HG21 THR 64 -1.802 -9.696 -25.117 550 HG22 THR 64 HG22 THR 64 -1.207 -10.898 -26.261 551 HG23 THR 64 HG23 THR 64 -1.548 -9.256 -26.805 552 H ASP 65 H ASP 65 2.464 -8.066 -27.153 553 HA ASP 65 HA ASP 65 5.134 -8.734 -26.639 554 HB2 ASP 65 HB2 ASP 65 3.663 -6.147 -27.005 555 HB3 ASP 65 HB3 ASP 65 5.354 -6.125 -26.509 556 H GLU 66 H GLU 66 6.322 -8.806 -24.838 557 HA GLU 66 HA GLU 66 5.169 -8.675 -22.289 558 HB2 GLU 66 HB2 GLU 66 7.907 -8.968 -23.377 559 HB3 GLU 66 HB3 GLU 66 7.793 -8.403 -21.716 560 HG2 GLU 66 HG2 GLU 66 6.040 -10.499 -21.737 561 HG3 GLU 66 HG3 GLU 66 7.300 -11.047 -22.840 562 H ILE 67 H ILE 67 7.504 -6.438 -23.795 563 HA ILE 67 HA ILE 67 7.149 -4.482 -21.721 564 HB ILE 67 HB ILE 67 9.302 -4.716 -22.873 565 HG12 ILE 67 HG12 ILE 67 8.617 -2.015 -23.784 566 HG13 ILE 67 HG13 ILE 67 8.038 -2.370 -22.158 567 HG21 ILE 67 HG21 ILE 67 9.176 -5.163 -25.062 568 HG22 ILE 67 HG22 ILE 67 9.108 -3.411 -25.257 569 HG23 ILE 67 HG23 ILE 67 7.619 -4.354 -25.238 570 HD11 ILE 67 HD11 ILE 67 10.811 -3.162 -22.685 571 HD12 ILE 67 HD12 ILE 67 10.101 -2.351 -21.290 572 HD13 ILE 67 HD13 ILE 67 10.497 -1.428 -22.738 573 H1 GLY 68 H1 GLY 68 6.864 12.194 25.104 574 H2 GLY 68 H2 GLY 68 6.796 10.775 24.186 575 H3 GLY 68 H3 GLY 68 7.444 12.186 23.516 576 HA2 GLY 68 HA2 GLY 68 9.140 12.079 25.408 577 HA3 GLY 68 HA3 GLY 68 8.606 10.414 25.571 578 H HIS 69 H HIS 69 9.870 9.016 24.568 579 HA HIS 69 HA HIS 69 11.690 9.891 22.501 580 HB2 HIS 69 HB2 HIS 69 11.245 7.157 23.721 581 HB3 HIS 69 HB3 HIS 69 12.544 7.570 22.605 582 HD1 HIS 69 HD1 HIS 69 11.281 8.824 25.976 583 HD2 HIS 69 HD2 HIS 69 14.824 8.210 23.895 584 HE1 HIS 69 HE1 HIS 69 13.117 9.423 27.585 585 HE2 HIS 69 HE2 HIS 69 15.253 8.944 26.338 586 H MET 70 H MET 70 10.067 10.456 20.912 587 HA MET 70 HA MET 70 9.223 8.108 19.362 588 HB2 MET 70 HB2 MET 70 7.294 9.076 20.638 589 HB3 MET 70 HB3 MET 70 7.519 10.574 19.742 590 HG2 MET 70 HG2 MET 70 7.382 8.651 17.768 591 HG3 MET 70 HG3 MET 70 6.201 8.113 18.960 592 HE1 MET 70 HE1 MET 70 4.462 8.122 17.604 593 HE2 MET 70 HE2 MET 70 3.722 9.438 16.693 594 HE3 MET 70 HE3 MET 70 3.422 9.287 18.424 595 H MET 71 H MET 71 11.510 9.886 19.099 596 HA MET 71 HA MET 71 11.029 11.740 16.989 597 HB2 MET 71 HB2 MET 71 13.375 10.703 18.452 598 HB3 MET 71 HB3 MET 71 13.692 11.247 16.812 599 HG2 MET 71 HG2 MET 71 12.117 13.017 18.600 600 HG3 MET 71 HG3 MET 71 13.853 12.874 18.873 601 HE1 MET 71 HE1 MET 71 13.263 15.986 18.038 602 HE2 MET 71 HE2 MET 71 14.742 15.878 17.085 603 HE3 MET 71 HE3 MET 71 14.591 14.961 18.584 604 H SER 72 H SER 72 12.783 11.381 15.035 605 HA SER 72 HA SER 72 11.590 9.354 13.436 606 HB2 SER 72 HB2 SER 72 14.057 11.026 12.895 607 HB3 SER 72 HB3 SER 72 13.163 10.089 11.697 608 HG SER 72 HG SER 72 12.318 12.382 13.120 609 H LYS 73 H LYS 73 12.169 7.639 15.091 610 HA LYS 73 HA LYS 73 14.658 6.346 14.230 611 HB2 LYS 73 HB2 LYS 73 14.819 7.510 16.525 612 HB3 LYS 73 HB3 LYS 73 13.765 6.226 17.099 613 HG2 LYS 73 HG2 LYS 73 15.392 4.556 16.455 614 HG3 LYS 73 HG3 LYS 73 16.438 5.807 15.781 615 HD2 LYS 73 HD2 LYS 73 17.066 6.585 17.850 616 HD3 LYS 73 HD3 LYS 73 15.579 6.034 18.624 617 HE2 LYS 73 HE2 LYS 73 16.324 3.759 18.578 618 HE3 LYS 73 HE3 LYS 73 17.722 4.184 17.592 619 HZ1 LYS 73 HZ1 LYS 73 18.530 5.537 19.461 620 HZ2 LYS 73 HZ2 LYS 73 18.390 3.900 19.866 621 HZ3 LYS 73 HZ3 LYS 73 17.229 5.006 20.403 622 H LEU 74 H LEU 74 11.840 5.973 13.516 623 HA LEU 74 HA LEU 74 11.745 3.116 13.870 624 HB2 LEU 74 HB2 LEU 74 9.604 2.968 14.910 625 HB3 LEU 74 HB3 LEU 74 10.620 3.984 15.911 626 HG LEU 74 HG LEU 74 8.524 5.028 15.927 627 HD11 LEU 74 HD11 LEU 74 10.550 6.471 15.296 628 HD12 LEU 74 HD12 LEU 74 8.937 7.153 15.084 629 HD13 LEU 74 HD13 LEU 74 9.824 6.536 13.690 630 HD21 LEU 74 HD21 LEU 74 6.980 4.945 14.303 631 HD22 LEU 74 HD22 LEU 74 8.007 3.681 13.630 632 HD23 LEU 74 HD23 LEU 74 8.140 5.336 13.036 633 H PHE 75 H PHE 75 10.492 2.075 12.324 634 HA PHE 75 HA PHE 75 9.552 1.796 10.271 635 HB2 PHE 75 HB2 PHE 75 7.611 2.767 11.482 636 HB3 PHE 75 HB3 PHE 75 8.104 4.366 10.939 637 HD1 PHE 75 HD1 PHE 75 7.314 0.998 9.547 638 HD2 PHE 75 HD2 PHE 75 7.130 5.219 9.043 639 HE1 PHE 75 HE1 PHE 75 6.010 0.689 7.484 640 HE2 PHE 75 HE2 PHE 75 5.825 4.919 6.978 641 HZ PHE 75 HZ PHE 75 5.262 2.652 6.196 642 H LEU 76 H LEU 76 11.992 3.525 10.603 643 HA LEU 76 HA LEU 76 12.006 4.552 7.877 644 HB2 LEU 76 HB2 LEU 76 12.646 6.229 10.302 645 HB3 LEU 76 HB3 LEU 76 13.136 6.661 8.674 646 HG LEU 76 HG LEU 76 10.244 6.151 9.242 647 HD11 LEU 76 HD11 LEU 76 11.337 7.777 10.940 648 HD12 LEU 76 HD12 LEU 76 9.848 8.248 10.121 649 HD13 LEU 76 HD13 LEU 76 11.397 8.887 9.572 650 HD21 LEU 76 HD21 LEU 76 9.970 7.815 7.460 651 HD22 LEU 76 HD22 LEU 76 10.953 6.447 6.936 652 HD23 LEU 76 HD23 LEU 76 11.722 7.979 7.352 653 H ASP 77 H ASP 77 13.873 4.142 10.874 654 HA ASP 77 HA ASP 77 16.403 4.081 9.592 655 HB2 ASP 77 HB2 ASP 77 15.362 3.505 12.315 656 HB3 ASP 77 HB3 ASP 77 16.904 2.768 11.886 657 H GLU 78 H GLU 78 14.033 1.628 10.425 658 HA GLU 78 HA GLU 78 15.669 -0.630 9.974 659 HB2 GLU 78 HB2 GLU 78 12.664 -0.375 9.716 660 HB3 GLU 78 HB3 GLU 78 13.558 -1.885 9.832 661 HG2 GLU 78 HG2 GLU 78 12.938 -1.678 11.994 662 HG3 GLU 78 HG3 GLU 78 14.440 -0.759 12.059 663 H LEU 79 H LEU 79 12.947 0.426 7.929 664 HA LEU 79 HA LEU 79 13.657 -0.999 5.662 665 HB2 LEU 79 HB2 LEU 79 12.035 0.233 4.529 666 HB3 LEU 79 HB3 LEU 79 11.509 0.301 6.196 667 HG LEU 79 HG LEU 79 13.038 2.570 6.000 668 HD11 LEU 79 HD11 LEU 79 11.688 2.074 3.358 669 HD12 LEU 79 HD12 LEU 79 13.378 2.474 3.662 670 HD13 LEU 79 HD13 LEU 79 12.125 3.684 3.932 671 HD21 LEU 79 HD21 LEU 79 10.686 2.118 6.924 672 HD22 LEU 79 HD22 LEU 79 10.119 2.565 5.316 673 HD23 LEU 79 HD23 LEU 79 11.031 3.724 6.284 674 HA PRO 80 HA PRO 80 16.933 0.882 3.365 675 HB2 PRO 80 HB2 PRO 80 14.950 2.281 1.610 676 HB3 PRO 80 HB3 PRO 80 16.392 1.361 1.162 677 HG2 PRO 80 HG2 PRO 80 13.986 0.265 0.927 678 HG3 PRO 80 HG3 PRO 80 15.356 -0.691 1.526 679 HD2 PRO 80 HD2 PRO 80 13.048 0.459 3.014 680 HD3 PRO 80 HD3 PRO 80 13.955 -1.036 3.319 681 H GLU 81 H GLU 81 17.549 2.237 5.095 682 HA GLU 81 HA GLU 81 16.480 4.645 5.863 683 HB2 GLU 81 HB2 GLU 81 18.654 5.195 6.782 684 HB3 GLU 81 HB3 GLU 81 18.322 3.484 7.026 685 HG2 GLU 81 HG2 GLU 81 19.699 3.034 4.975 686 HG3 GLU 81 HG3 GLU 81 20.172 4.732 5.014 687 H SER 82 H SER 82 18.316 3.936 2.997 688 HA SER 82 HA SER 82 19.196 6.507 2.324 689 HB2 SER 82 HB2 SER 82 18.897 5.525 -0.106 690 HB3 SER 82 HB3 SER 82 20.129 4.874 0.973 691 HG SER 82 HG SER 82 17.542 3.801 0.508 692 H LEU 83 H LEU 83 16.079 4.959 1.987 693 HA LEU 83 HA LEU 83 14.975 7.030 0.318 694 HB2 LEU 83 HB2 LEU 83 14.290 4.415 0.923 695 HB3 LEU 83 HB3 LEU 83 13.054 5.354 1.737 696 HG LEU 83 HG LEU 83 13.729 5.577 -1.198 697 HD11 LEU 83 HD11 LEU 83 11.483 4.156 0.223 698 HD12 LEU 83 HD12 LEU 83 12.742 3.432 -0.779 699 HD13 LEU 83 HD13 LEU 83 11.524 4.476 -1.512 700 HD21 LEU 83 HD21 LEU 83 11.275 6.631 0.159 701 HD22 LEU 83 HD22 LEU 83 11.965 7.079 -1.402 702 HD23 LEU 83 HD23 LEU 83 12.757 7.585 0.090 703 H SER 84 H SER 84 15.136 6.296 3.727 704 HA SER 84 HA SER 84 13.075 7.829 4.747 705 HB2 SER 84 HB2 SER 84 14.519 6.345 6.104 706 HB3 SER 84 HB3 SER 84 15.838 7.505 5.943 707 HG SER 84 HG SER 84 14.438 9.043 6.983 708 H ARG 85 H ARG 85 16.065 8.862 3.318 709 HA ARG 85 HA ARG 85 16.281 11.435 4.386 710 HB2 ARG 85 HB2 ARG 85 17.526 9.920 2.326 711 HB3 ARG 85 HB3 ARG 85 17.081 11.478 1.641 712 HG2 ARG 85 HG2 ARG 85 18.954 12.274 2.516 713 HG3 ARG 85 HG3 ARG 85 18.188 12.118 4.097 714 HD2 ARG 85 HD2 ARG 85 20.371 11.039 4.079 715 HD3 ARG 85 HD3 ARG 85 19.087 9.856 4.313 716 HE ARG 85 HE ARG 85 19.482 9.808 1.640 717 HH11 ARG 85 HH11 ARG 85 21.637 9.519 4.370 718 HH12 ARG 85 HH12 ARG 85 22.758 8.494 3.535 719 HH21 ARG 85 HH21 ARG 85 20.954 8.460 0.543 720 HH22 ARG 85 HH22 ARG 85 22.371 7.894 1.363 721 H LYS 86 H LYS 86 14.563 10.298 1.493 722 HA LYS 86 HA LYS 86 13.513 12.918 0.914 723 HB2 LYS 86 HB2 LYS 86 12.984 10.188 -0.258 724 HB3 LYS 86 HB3 LYS 86 12.158 11.640 -0.806 725 HG2 LYS 86 HG2 LYS 86 13.932 11.276 -2.309 726 HG3 LYS 86 HG3 LYS 86 14.429 12.617 -1.277 727 HD2 LYS 86 HD2 LYS 86 15.998 11.349 -0.156 728 HD3 LYS 86 HD3 LYS 86 15.185 9.828 -0.527 729 HE2 LYS 86 HE2 LYS 86 16.810 9.595 -2.059 730 HE3 LYS 86 HE3 LYS 86 15.820 10.698 -3.015 731 HZ1 LYS 86 HZ1 LYS 86 18.137 11.400 -2.929 732 HZ2 LYS 86 HZ2 LYS 86 18.062 11.505 -1.243 733 HZ3 LYS 86 HZ3 LYS 86 17.130 12.545 -2.198 734 H ILE 87 H ILE 87 12.364 9.966 2.440 735 HA ILE 87 HA ILE 87 9.632 10.715 2.592 736 HB ILE 87 HB ILE 87 11.115 8.826 4.425 737 HG12 ILE 87 HG12 ILE 87 9.615 8.157 1.887 738 HG13 ILE 87 HG13 ILE 87 11.366 8.321 1.970 739 HG21 ILE 87 HG21 ILE 87 8.258 9.482 3.975 740 HG22 ILE 87 HG22 ILE 87 9.098 9.028 5.458 741 HG23 ILE 87 HG23 ILE 87 8.674 7.795 4.271 742 HD11 ILE 87 HD11 ILE 87 10.319 6.511 3.982 743 HD12 ILE 87 HD12 ILE 87 11.609 6.276 2.802 744 HD13 ILE 87 HD13 ILE 87 9.928 6.012 2.336 745 H GLY 88 H GLY 88 12.277 10.839 4.979 746 HA2 GLY 88 HA2 GLY 88 10.792 11.985 7.065 747 HA3 GLY 88 HA3 GLY 88 12.538 12.098 6.881 748 H THR 89 H THR 89 12.041 13.390 4.169 749 HA THR 89 HA THR 89 12.037 16.093 5.153 750 HB THR 89 HB THR 89 12.020 16.316 2.422 751 HG1 THR 89 HG1 THR 89 12.362 14.426 1.616 752 HG21 THR 89 HG21 THR 89 14.639 15.553 3.484 753 HG22 THR 89 HG22 THR 89 13.814 16.835 4.372 754 HG23 THR 89 HG23 THR 89 14.129 17.019 2.646 755 H VAL 90 H VAL 90 9.894 14.066 3.211 756 HA VAL 90 HA VAL 90 8.011 16.196 2.748 757 HB VAL 90 HB VAL 90 8.286 14.398 1.100 758 HG11 VAL 90 HG11 VAL 90 7.394 12.159 1.548 759 HG12 VAL 90 HG12 VAL 90 7.095 12.617 3.224 760 HG13 VAL 90 HG13 VAL 90 8.747 12.548 2.609 761 HG21 VAL 90 HG21 VAL 90 5.651 13.690 1.350 762 HG22 VAL 90 HG22 VAL 90 6.248 15.168 0.596 763 HG23 VAL 90 HG23 VAL 90 5.735 15.185 2.283 764 H VAL 91 H VAL 91 8.247 13.396 4.894 765 HA VAL 91 HA VAL 91 5.671 13.457 5.968 766 HB VAL 91 HB VAL 91 8.216 12.691 7.408 767 HG11 VAL 91 HG11 VAL 91 6.702 11.235 8.734 768 HG12 VAL 91 HG12 VAL 91 5.327 12.010 7.944 769 HG13 VAL 91 HG13 VAL 91 6.406 12.958 8.968 770 HG21 VAL 91 HG21 VAL 91 6.474 10.597 6.306 771 HG22 VAL 91 HG22 VAL 91 8.234 10.713 6.336 772 HG23 VAL 91 HG23 VAL 91 7.312 11.580 5.106 773 H ARG 92 H ARG 92 8.445 15.474 6.597 774 HA ARG 92 HA ARG 92 7.780 16.537 9.079 775 HB2 ARG 92 HB2 ARG 92 9.360 17.495 6.743 776 HB3 ARG 92 HB3 ARG 92 8.931 18.674 7.975 777 HG2 ARG 92 HG2 ARG 92 10.033 17.360 9.674 778 HG3 ARG 92 HG3 ARG 92 10.381 16.088 8.501 779 HD2 ARG 92 HD2 ARG 92 12.347 17.128 8.255 780 HD3 ARG 92 HD3 ARG 92 11.442 18.276 7.271 781 HE ARG 92 HE ARG 92 12.340 18.665 10.031 782 HH11 ARG 92 HH11 ARG 92 10.730 19.941 7.200 783 HH12 ARG 92 HH12 ARG 92 10.824 21.582 7.740 784 HH21 ARG 92 HH21 ARG 92 12.456 20.823 10.732 785 HH22 ARG 92 HH22 ARG 92 11.802 22.083 9.741 786 H VAL 93 H VAL 93 6.457 17.178 5.921 787 HA VAL 93 HA VAL 93 5.038 19.554 6.726 788 HB VAL 93 HB VAL 93 4.683 17.855 4.249 789 HG11 VAL 93 HG11 VAL 93 3.638 19.870 3.301 790 HG12 VAL 93 HG12 VAL 93 3.771 20.662 4.871 791 HG13 VAL 93 HG13 VAL 93 2.741 19.243 4.685 792 HG21 VAL 93 HG21 VAL 93 5.952 19.925 3.276 793 HG22 VAL 93 HG22 VAL 93 6.848 18.603 4.026 794 HG23 VAL 93 HG23 VAL 93 6.543 20.086 4.930 795 H LEU 94 H LEU 94 4.132 16.212 5.903 796 HA LEU 94 HA LEU 94 1.591 16.632 7.333 797 HB2 LEU 94 HB2 LEU 94 2.165 15.563 4.723 798 HB3 LEU 94 HB3 LEU 94 1.378 14.343 5.704 799 HG LEU 94 HG LEU 94 -0.386 16.114 6.219 800 HD11 LEU 94 HD11 LEU 94 0.290 18.166 5.575 801 HD12 LEU 94 HD12 LEU 94 -0.420 17.675 4.037 802 HD13 LEU 94 HD13 LEU 94 1.321 17.544 4.287 803 HD21 LEU 94 HD21 LEU 94 0.013 14.470 3.859 804 HD22 LEU 94 HD22 LEU 94 -1.056 15.838 3.554 805 HD23 LEU 94 HD23 LEU 94 -1.429 14.699 4.846 806 HA PRO 95 HA PRO 95 4.161 13.423 9.593 807 HB2 PRO 95 HB2 PRO 95 3.944 14.569 12.046 808 HB3 PRO 95 HB3 PRO 95 5.229 14.980 10.904 809 HG2 PRO 95 HG2 PRO 95 2.673 16.430 11.486 810 HG3 PRO 95 HG3 PRO 95 4.305 17.087 11.262 811 HD2 PRO 95 HD2 PRO 95 2.441 17.133 9.302 812 HD3 PRO 95 HD3 PRO 95 4.174 16.966 8.962 813 H SER 96 H SER 96 1.233 15.155 10.617 814 HA SER 96 HA SER 96 0.220 13.049 12.226 815 HB2 SER 96 HB2 SER 96 -1.995 14.358 11.855 816 HB3 SER 96 HB3 SER 96 -0.687 15.149 12.732 817 HG SER 96 HG SER 96 -1.050 16.649 11.282 818 H SER 97 H SER 97 -0.037 13.874 8.835 819 HA SER 97 HA SER 97 -2.187 12.108 8.227 820 HB2 SER 97 HB2 SER 97 -1.813 13.856 6.676 821 HB3 SER 97 HB3 SER 97 -0.096 13.488 6.553 822 HG SER 97 HG SER 97 -1.139 12.685 4.742 823 H LEU 98 H LEU 98 1.280 11.768 8.440 824 HA LEU 98 HA LEU 98 1.598 9.369 7.036 825 HB2 LEU 98 HB2 LEU 98 3.643 10.235 7.470 826 HB3 LEU 98 HB3 LEU 98 3.135 10.947 8.987 827 HG LEU 98 HG LEU 98 3.284 8.632 9.995 828 HD11 LEU 98 HD11 LEU 98 4.601 6.971 8.844 829 HD12 LEU 98 HD12 LEU 98 4.808 8.046 7.461 830 HD13 LEU 98 HD13 LEU 98 3.212 7.406 7.851 831 HD21 LEU 98 HD21 LEU 98 5.994 9.274 9.022 832 HD22 LEU 98 HD22 LEU 98 5.392 9.081 10.668 833 HD23 LEU 98 HD23 LEU 98 5.112 10.589 9.799 834 H GLU 99 H GLU 99 0.471 10.044 10.273 835 HA GLU 99 HA GLU 99 0.718 7.507 11.416 836 HB2 GLU 99 HB2 GLU 99 -0.687 9.977 12.003 837 HB3 GLU 99 HB3 GLU 99 -1.652 8.576 12.444 838 HG2 GLU 99 HG2 GLU 99 -0.515 8.579 14.349 839 HG3 GLU 99 HG3 GLU 99 0.835 7.936 13.416 840 H ILE 100 H ILE 100 -1.629 8.803 9.177 841 HA ILE 100 HA ILE 100 -3.584 6.772 9.466 842 HB ILE 100 HB ILE 100 -3.051 8.438 7.005 843 HG12 ILE 100 HG12 ILE 100 -4.813 9.055 9.388 844 HG13 ILE 100 HG13 ILE 100 -3.290 9.854 9.013 845 HG21 ILE 100 HG21 ILE 100 -5.027 6.452 7.689 846 HG22 ILE 100 HG22 ILE 100 -4.723 7.251 6.148 847 HG23 ILE 100 HG23 ILE 100 -5.784 8.004 7.336 848 HD11 ILE 100 HD11 ILE 100 -5.287 9.890 6.863 849 HD12 ILE 100 HD12 ILE 100 -4.218 11.162 7.447 850 HD13 ILE 100 HD13 ILE 100 -5.709 10.798 8.315 851 H PHE 101 H PHE 101 -0.981 7.258 7.086 852 HA PHE 101 HA PHE 101 -1.455 4.870 5.653 853 HB2 PHE 101 HB2 PHE 101 1.218 6.250 5.898 854 HB3 PHE 101 HB3 PHE 101 0.617 5.286 4.552 855 HD1 PHE 101 HD1 PHE 101 -1.918 6.307 3.874 856 HD2 PHE 101 HD2 PHE 101 1.477 8.441 5.298 857 HE1 PHE 101 HE1 PHE 101 -2.749 8.349 2.783 858 HE2 PHE 101 HE2 PHE 101 0.650 10.490 4.211 859 HZ PHE 101 HZ PHE 101 -1.465 10.444 2.950 860 H GLU 102 H GLU 102 0.562 5.622 8.440 861 HA GLU 102 HA GLU 102 2.011 3.221 8.541 862 HB2 GLU 102 HB2 GLU 102 1.218 5.225 10.641 863 HB3 GLU 102 HB3 GLU 102 2.131 3.782 11.056 864 HG2 GLU 102 HG2 GLU 102 3.461 4.907 8.871 865 HG3 GLU 102 HG3 GLU 102 3.037 6.258 9.920 866 H GLU 103 H GLU 103 -1.017 4.163 10.148 867 HA GLU 103 HA GLU 103 -1.431 1.623 11.360 868 HB2 GLU 103 HB2 GLU 103 -2.580 4.143 11.573 869 HB3 GLU 103 HB3 GLU 103 -3.863 3.160 10.884 870 HG2 GLU 103 HG2 GLU 103 -4.241 2.124 12.810 871 HG3 GLU 103 HG3 GLU 103 -2.524 1.822 13.077 872 H LEU 104 H LEU 104 -2.184 3.006 8.263 873 HA LEU 104 HA LEU 104 -4.227 1.252 7.454 874 HB2 LEU 104 HB2 LEU 104 -3.630 3.361 6.299 875 HB3 LEU 104 HB3 LEU 104 -2.143 2.617 5.746 876 HG LEU 104 HG LEU 104 -4.817 1.436 5.052 877 HD11 LEU 104 HD11 LEU 104 -3.561 3.889 4.006 878 HD12 LEU 104 HD12 LEU 104 -5.253 3.391 4.014 879 HD13 LEU 104 HD13 LEU 104 -4.148 2.743 2.801 880 HD21 LEU 104 HD21 LEU 104 -1.998 1.066 4.250 881 HD22 LEU 104 HD22 LEU 104 -3.205 0.963 2.969 882 HD23 LEU 104 HD23 LEU 104 -3.310 -0.106 4.368 883 H TYR 105 H TYR 105 -0.709 1.127 6.917 884 HA TYR 105 HA TYR 105 -0.783 -1.380 5.585 885 HB2 TYR 105 HB2 TYR 105 1.526 -1.219 5.437 886 HB3 TYR 105 HB3 TYR 105 1.059 0.470 5.583 887 HD1 TYR 105 HD1 TYR 105 2.220 -2.425 7.634 888 HD2 TYR 105 HD2 TYR 105 2.045 1.804 7.204 889 HE1 TYR 105 HE1 TYR 105 3.731 -2.175 9.557 890 HE2 TYR 105 HE2 TYR 105 3.557 2.067 9.127 891 HH TYR 105 HH TYR 105 5.178 0.841 10.377 892 H LYS 106 H LYS 106 -0.905 -0.486 8.894 893 HA LYS 106 HA LYS 106 0.278 -2.714 10.110 894 HB2 LYS 106 HB2 LYS 106 -0.620 -0.482 11.122 895 HB3 LYS 106 HB3 LYS 106 -2.130 -1.370 11.287 896 HG2 LYS 106 HG2 LYS 106 -1.398 -2.251 13.176 897 HG3 LYS 106 HG3 LYS 106 -0.077 -3.024 12.299 898 HD2 LYS 106 HD2 LYS 106 1.273 -1.769 13.572 899 HD3 LYS 106 HD3 LYS 106 0.794 -0.431 12.527 900 HE2 LYS 106 HE2 LYS 106 -0.830 0.319 14.057 901 HE3 LYS 106 HE3 LYS 106 -0.780 -1.187 14.971 902 HZ1 LYS 106 HZ1 LYS 106 1.589 -0.578 15.508 903 HZ2 LYS 106 HZ2 LYS 106 0.401 0.385 16.229 904 HZ3 LYS 106 HZ3 LYS 106 1.256 0.960 14.889 905 H TYR 107 H TYR 107 -3.139 -2.140 9.257 906 HA TYR 107 HA TYR 107 -3.895 -4.800 10.043 907 HB2 TYR 107 HB2 TYR 107 -6.114 -4.203 9.406 908 HB3 TYR 107 HB3 TYR 107 -5.407 -2.786 10.169 909 HD1 TYR 107 HD1 TYR 107 -6.053 -4.285 6.819 910 HD2 TYR 107 HD2 TYR 107 -5.476 -0.725 9.079 911 HE1 TYR 107 HE1 TYR 107 -6.639 -2.943 4.845 912 HE2 TYR 107 HE2 TYR 107 -6.064 0.625 7.110 913 HH TYR 107 HH TYR 107 -7.370 0.335 4.999 914 H ALA 108 H ALA 108 -2.909 -3.233 7.102 915 HA ALA 108 HA ALA 108 -3.943 -4.976 5.193 916 HB1 ALA 108 HB1 ALA 108 -1.234 -3.682 4.994 917 HB2 ALA 108 HB2 ALA 108 -2.742 -2.788 4.803 918 HB3 ALA 108 HB3 ALA 108 -2.346 -4.096 3.688 919 H LEU 109 H LEU 109 -1.255 -5.352 7.379 920 HA LEU 109 HA LEU 109 -0.116 -7.609 6.019 921 HB2 LEU 109 HB2 LEU 109 0.313 -6.603 8.832 922 HB3 LEU 109 HB3 LEU 109 1.283 -7.826 8.034 923 HG LEU 109 HG LEU 109 1.028 -5.022 6.965 924 HD11 LEU 109 HD11 LEU 109 3.484 -5.815 8.388 925 HD12 LEU 109 HD12 LEU 109 2.072 -5.495 9.394 926 HD13 LEU 109 HD13 LEU 109 2.673 -4.251 8.298 927 HD21 LEU 109 HD21 LEU 109 1.794 -6.764 5.407 928 HD22 LEU 109 HD22 LEU 109 3.092 -7.179 6.527 929 HD23 LEU 109 HD23 LEU 109 3.059 -5.588 5.764 930 H ASN 110 H ASN 110 -2.427 -7.106 8.602 931 HA ASN 110 HA ASN 110 -2.467 -9.801 9.518 932 HB2 ASN 110 HB2 ASN 110 -3.285 -7.700 10.749 933 HB3 ASN 110 HB3 ASN 110 -4.751 -7.855 9.788 934 HD21 ASN 110 HD21 ASN 110 -2.637 -10.149 11.483 935 HD22 ASN 110 HD22 ASN 110 -3.901 -10.900 12.393 936 H GLU 111 H GLU 111 -4.273 -7.994 7.110 937 HA GLU 111 HA GLU 111 -6.132 -10.137 6.605 938 HB2 GLU 111 HB2 GLU 111 -6.956 -8.714 4.791 939 HB3 GLU 111 HB3 GLU 111 -6.810 -7.806 6.290 940 HG2 GLU 111 HG2 GLU 111 -5.316 -6.397 5.426 941 HG3 GLU 111 HG3 GLU 111 -4.417 -7.689 4.631 942 H ASN 112 H ASN 112 -3.055 -9.101 5.367 943 HA ASN 112 HA ASN 112 -3.064 -10.284 2.847 944 HB2 ASN 112 HB2 ASN 112 -1.236 -8.890 4.320 945 HB3 ASN 112 HB3 ASN 112 -0.522 -10.500 4.318 946 HD21 ASN 112 HD21 ASN 112 1.128 -10.228 2.946 947 HD22 ASN 112 HD22 ASN 112 0.967 -9.743 1.296 948 H SER 113 H SER 113 -2.628 -11.697 6.018 949 HA SER 113 HA SER 113 -2.222 -14.332 4.768 950 HB2 SER 113 HB2 SER 113 -1.223 -13.102 7.282 951 HB3 SER 113 HB3 SER 113 -1.629 -14.817 7.346 952 HG SER 113 HG SER 113 -0.179 -15.182 5.665 953 H ASN 114 H ASN 114 -3.567 -16.019 5.257 954 HA ASN 114 HA ASN 114 -5.757 -15.517 7.145 955 HB2 ASN 114 HB2 ASN 114 -6.367 -15.107 4.669 956 HB3 ASN 114 HB3 ASN 114 -6.274 -16.857 4.501 957 HD21 ASN 114 HD21 ASN 114 -7.799 -18.148 5.512 958 HD22 ASN 114 HD22 ASN 114 -9.276 -17.511 6.142 959 H ASP 115 H ASP 115 -3.240 -17.222 7.026 960 HA ASP 115 HA ASP 115 -2.572 -19.272 7.741 961 HB2 ASP 115 HB2 ASP 115 -4.209 -18.797 9.551 962 HB3 ASP 115 HB3 ASP 115 -5.455 -19.600 8.600 963 H ARG 116 H ARG 116 -2.024 -20.757 6.302 964 HA ARG 116 HA ARG 116 -4.140 -21.963 4.642 965 HB2 ARG 116 HB2 ARG 116 -1.319 -21.178 4.035 966 HB3 ARG 116 HB3 ARG 116 -2.032 -22.531 3.167 967 HG2 ARG 116 HG2 ARG 116 -3.093 -19.716 3.254 968 HG3 ARG 116 HG3 ARG 116 -2.266 -20.486 1.898 969 HD2 ARG 116 HD2 ARG 116 -4.205 -21.277 1.166 970 HD3 ARG 116 HD3 ARG 116 -4.415 -22.168 2.674 971 HE ARG 116 HE ARG 116 -5.919 -20.583 3.365 972 HH11 ARG 116 HH11 ARG 116 -4.158 -19.354 0.613 973 HH12 ARG 116 HH12 ARG 116 -5.169 -17.960 0.431 974 HH21 ARG 116 HH21 ARG 116 -7.249 -18.749 3.127 975 HH22 ARG 116 HH22 ARG 116 -6.923 -17.616 1.859 976 H SER 117 H SER 117 -4.545 -23.557 6.257 977 HA SER 117 HA SER 117 -2.377 -25.487 6.699 978 HB2 SER 117 HB2 SER 117 -4.049 -24.392 8.525 979 HB3 SER 117 HB3 SER 117 -4.955 -25.847 8.110 980 HG SER 117 HG SER 117 -2.821 -25.623 9.682 981 H GLU 118 H GLU 118 -3.915 -25.248 4.194 982 HA GLU 118 HA GLU 118 -4.910 -26.578 2.638 983 HB2 GLU 118 HB2 GLU 118 -2.954 -28.043 3.628 984 HB3 GLU 118 HB3 GLU 118 -4.281 -29.008 4.261 985 HG2 GLU 118 HG2 GLU 118 -5.167 -29.098 1.897 986 HG3 GLU 118 HG3 GLU 118 -3.619 -28.423 1.394 987 H HIS 119 H HIS 119 -6.757 -25.494 4.207 988 HA HIS 119 HA HIS 119 -8.670 -27.687 4.648 989 HB2 HIS 119 HB2 HIS 119 -9.667 -26.201 6.464 990 HB3 HIS 119 HB3 HIS 119 -8.134 -26.982 6.841 991 HD1 HIS 119 HD1 HIS 119 -7.683 -25.122 8.621 992 HD2 HIS 119 HD2 HIS 119 -7.940 -23.754 4.706 993 HE1 HIS 119 HE1 HIS 119 -6.750 -22.788 8.663 994 HE2 HIS 119 HE2 HIS 119 -7.000 -21.948 6.299 995 H HIS 120 H HIS 120 -9.366 -27.254 2.472 996 HA HIS 120 HA HIS 120 -11.170 -24.935 2.337 997 HB2 HIS 120 HB2 HIS 120 -10.629 -24.662 -0.045 998 HB3 HIS 120 HB3 HIS 120 -9.204 -24.444 0.963 999 HD1 HIS 120 HD1 HIS 120 -10.042 -25.872 -2.105 1000 HD2 HIS 120 HD2 HIS 120 -7.853 -27.237 1.152 1001 HE1 HIS 120 HE1 HIS 120 -8.586 -27.717 -2.999 1002 HE2 HIS 120 HE2 HIS 120 -7.209 -28.469 -1.029 1003 H LYS 121 H LYS 121 -11.715 -27.676 3.076 1004 HA LYS 121 HA LYS 121 -13.261 -29.300 2.701 1005 HB2 LYS 121 HB2 LYS 121 -14.486 -27.000 2.022 1006 HB3 LYS 121 HB3 LYS 121 -14.561 -27.835 0.476 1007 HG2 LYS 121 HG2 LYS 121 -15.525 -29.801 1.813 1008 HG3 LYS 121 HG3 LYS 121 -15.786 -28.615 3.093 1009 HD2 LYS 121 HD2 LYS 121 -17.486 -27.623 1.999 1010 HD3 LYS 121 HD3 LYS 121 -16.695 -27.776 0.430 1011 HE2 LYS 121 HE2 LYS 121 -17.250 -30.287 0.650 1012 HE3 LYS 121 HE3 LYS 121 -18.388 -29.769 1.894 1013 HZ1 LYS 121 HZ1 LYS 121 -19.603 -29.835 -0.091 1014 HZ2 LYS 121 HZ2 LYS 121 -18.384 -29.071 -0.982 1015 HZ3 LYS 121 HZ3 LYS 121 -19.280 -28.192 0.151 1016 H LYS 122 H LYS 122 -14.013 -30.915 1.128 1017 HA LYS 122 HA LYS 122 -11.925 -31.713 -0.600 1018 HB2 LYS 122 HB2 LYS 122 -14.700 -32.703 -0.057 1019 HB3 LYS 122 HB3 LYS 122 -13.786 -33.366 -1.404 1020 HG2 LYS 122 HG2 LYS 122 -11.931 -33.705 0.406 1021 HG3 LYS 122 HG3 LYS 122 -13.294 -33.607 1.521 1022 HD2 LYS 122 HD2 LYS 122 -14.260 -35.317 -0.363 1023 HD3 LYS 122 HD3 LYS 122 -12.544 -35.727 -0.369 1024 HE2 LYS 122 HE2 LYS 122 -12.623 -36.636 1.689 1025 HE3 LYS 122 HE3 LYS 122 -13.734 -35.411 2.298 1026 HZ1 LYS 122 HZ1 LYS 122 -14.301 -37.996 1.102 1027 HZ2 LYS 122 HZ2 LYS 122 -15.333 -36.736 0.645 1028 HZ3 LYS 122 HZ3 LYS 122 -15.159 -37.136 2.280 1029 HA PRO 123 HA PRO 123 -13.215 -29.227 -4.106 1030 HB2 PRO 123 HB2 PRO 123 -11.261 -29.995 -5.804 1031 HB3 PRO 123 HB3 PRO 123 -10.969 -28.872 -4.472 1032 HG2 PRO 123 HG2 PRO 123 -10.408 -31.808 -4.629 1033 HG3 PRO 123 HG3 PRO 123 -9.390 -30.508 -3.982 1034 HD2 PRO 123 HD2 PRO 123 -10.886 -32.141 -2.405 1035 HD3 PRO 123 HD3 PRO 123 -10.511 -30.460 -1.975 1036 H ARG 124 H ARG 124 -14.919 -29.798 -5.293 1037 HA ARG 124 HA ARG 124 -14.972 -32.481 -6.501 1038 HB2 ARG 124 HB2 ARG 124 -17.030 -30.767 -5.267 1039 HB3 ARG 124 HB3 ARG 124 -17.530 -31.583 -6.742 1040 HG2 ARG 124 HG2 ARG 124 -16.458 -32.881 -4.245 1041 HG3 ARG 124 HG3 ARG 124 -18.125 -32.912 -4.826 1042 HD2 ARG 124 HD2 ARG 124 -17.645 -34.763 -5.956 1043 HD3 ARG 124 HD3 ARG 124 -16.539 -33.822 -6.957 1044 HE ARG 124 HE ARG 124 -14.773 -34.757 -5.836 1045 HH11 ARG 124 HH11 ARG 124 -17.711 -35.391 -4.062 1046 HH12 ARG 124 HH12 ARG 124 -16.955 -36.488 -2.956 1047 HH21 ARG 124 HH21 ARG 124 -13.777 -36.202 -4.385 1048 HH22 ARG 124 HH22 ARG 124 -14.721 -36.948 -3.139 1049 H ILE 125 H ILE 125 -16.633 -32.375 -8.493 1050 HA ILE 125 HA ILE 125 -16.295 -30.021 -10.131 1051 HB ILE 125 HB ILE 125 -14.154 -31.145 -10.505 1052 HG12 ILE 125 HG12 ILE 125 -15.940 -31.487 -12.921 1053 HG13 ILE 125 HG13 ILE 125 -15.348 -29.928 -12.354 1054 HG21 ILE 125 HG21 ILE 125 -15.422 -33.443 -11.876 1055 HG22 ILE 125 HG22 ILE 125 -15.392 -33.465 -10.112 1056 HG23 ILE 125 HG23 ILE 125 -13.884 -33.338 -11.018 1057 HD11 ILE 125 HD11 ILE 125 -13.917 -32.121 -13.731 1058 HD12 ILE 125 HD12 ILE 125 -13.019 -31.171 -12.549 1059 HD13 ILE 125 HD13 ILE 125 -13.779 -30.373 -13.926 1060 H ASP 126 H ASP 126 -18.374 -29.813 -10.694 1061 HA ASP 126 HA ASP 126 -19.851 -32.189 -11.584 1062 HB2 ASP 126 HB2 ASP 126 -20.605 -30.250 -9.820 1063 HB3 ASP 126 HB3 ASP 126 -21.314 -29.643 -11.314 1064 H ASP 127 H ASP 127 -20.034 -32.520 -13.690 1065 HA ASP 127 HA ASP 127 -19.861 -30.202 -15.500 1066 HB2 ASP 127 HB2 ASP 127 -18.984 -33.063 -15.845 1067 HB3 ASP 127 HB3 ASP 127 -19.202 -31.986 -17.221 1068 H SER 128 H SER 128 -21.238 -30.119 -17.310 1069 HA SER 128 HA SER 128 -23.575 -31.909 -17.178 1070 HB2 SER 128 HB2 SER 128 -23.603 -28.942 -17.786 1071 HB3 SER 128 HB3 SER 128 -25.007 -30.009 -17.785 1072 HG SER 128 HG SER 128 -24.536 -30.408 -15.540 1073 H SER 129 H SER 129 -21.664 -29.727 -19.216 1074 HA SER 129 HA SER 129 -22.374 -31.406 -21.528 1075 HB2 SER 129 HB2 SER 129 -23.398 -29.004 -21.399 1076 HB3 SER 129 HB3 SER 129 -21.778 -28.482 -21.861 1077 HG SER 129 HG SER 129 -22.023 -30.057 -23.637 1078 H ASP 130 H ASP 130 -20.732 -31.968 -22.888 1079 HA ASP 130 HA ASP 130 -18.031 -31.296 -21.977 1080 HB2 ASP 130 HB2 ASP 130 -17.380 -33.220 -23.506 1081 HB3 ASP 130 HB3 ASP 130 -18.352 -33.647 -22.101 1082 H LEU 131 H LEU 131 -19.903 -31.553 -24.991 1083 HA LEU 131 HA LEU 131 -17.858 -30.265 -26.541 1084 HB2 LEU 131 HB2 LEU 131 -20.375 -31.616 -27.030 1085 HB3 LEU 131 HB3 LEU 131 -20.246 -30.153 -27.987 1086 HG LEU 131 HG LEU 131 -18.200 -32.373 -27.958 1087 HD11 LEU 131 HD11 LEU 131 -19.984 -31.718 -30.264 1088 HD12 LEU 131 HD12 LEU 131 -20.550 -32.787 -28.979 1089 HD13 LEU 131 HD13 LEU 131 -19.110 -33.209 -29.907 1090 HD21 LEU 131 HD21 LEU 131 -17.225 -31.220 -29.848 1091 HD22 LEU 131 HD22 LEU 131 -17.301 -30.132 -28.462 1092 HD23 LEU 131 HD23 LEU 131 -18.474 -29.977 -29.770 1093 H LEU 132 H LEU 132 -17.888 -28.201 -27.425 1094 HA LEU 132 HA LEU 132 -18.861 -26.138 -25.809 1095 HB2 LEU 132 HB2 LEU 132 -17.903 -26.145 -28.666 1096 HB3 LEU 132 HB3 LEU 132 -18.320 -24.675 -27.805 1097 HG LEU 132 HG LEU 132 -16.562 -25.773 -26.060 1098 HD11 LEU 132 HD11 LEU 132 -15.985 -27.658 -27.400 1099 HD12 LEU 132 HD12 LEU 132 -14.626 -26.534 -27.442 1100 HD13 LEU 132 HD13 LEU 132 -15.722 -26.641 -28.818 1101 HD21 LEU 132 HD21 LEU 132 -14.862 -24.323 -27.520 1102 HD22 LEU 132 HD22 LEU 132 -16.119 -23.596 -26.519 1103 HD23 LEU 132 HD23 LEU 132 -16.375 -23.794 -28.253 1104 H LYS 133 H LYS 133 -20.499 -24.578 -26.164 1105 HA LYS 133 HA LYS 133 -22.459 -25.030 -28.241 1106 HB2 LYS 133 HB2 LYS 133 -22.815 -26.354 -25.829 1107 HB3 LYS 133 HB3 LYS 133 -23.829 -24.926 -25.670 1108 HG2 LYS 133 HG2 LYS 133 -25.381 -25.827 -26.961 1109 HG3 LYS 133 HG3 LYS 133 -24.212 -26.073 -28.261 1110 HD2 LYS 133 HD2 LYS 133 -23.505 -28.087 -26.633 1111 HD3 LYS 133 HD3 LYS 133 -25.215 -27.962 -26.218 1112 HE2 LYS 133 HE2 LYS 133 -24.634 -27.879 -29.095 1113 HE3 LYS 133 HE3 LYS 133 -24.222 -29.399 -28.303 1114 HZ1 LYS 133 HZ1 LYS 133 -26.861 -28.128 -27.918 1115 HZ2 LYS 133 HZ2 LYS 133 -26.417 -29.739 -27.650 1116 HZ3 LYS 133 HZ3 LYS 133 -26.560 -29.152 -29.229 1117 H THR 134 H THR 134 -20.783 -22.864 -27.772 1118 HA THR 134 HA THR 134 -22.768 -20.788 -27.202 1119 HB THR 134 HB THR 134 -20.080 -20.045 -26.309 1120 HG1 THR 134 HG1 THR 134 -19.885 -22.056 -25.490 1121 HG21 THR 134 HG21 THR 134 -21.437 -18.551 -25.378 1122 HG22 THR 134 HG22 THR 134 -21.745 -19.794 -24.166 1123 HG23 THR 134 HG23 THR 134 -22.850 -19.597 -25.527 1124 H ASP 135 H ASP 135 -19.280 -20.739 -27.929 1125 HA ASP 135 HA ASP 135 -19.328 -20.299 -30.632 1126 HB2 ASP 135 HB2 ASP 135 -20.308 -17.981 -29.159 1127 HB3 ASP 135 HB3 ASP 135 -18.915 -17.589 -30.162 1128 H GLU 136 H GLU 136 -17.378 -21.411 -30.303 1129 HA GLU 136 HA GLU 136 -15.153 -19.673 -29.481 1130 HB2 GLU 136 HB2 GLU 136 -15.951 -21.712 -27.915 1131 HB3 GLU 136 HB3 GLU 136 -14.857 -22.581 -28.983 1132 HG2 GLU 136 HG2 GLU 136 -13.144 -20.790 -28.432 1133 HG3 GLU 136 HG3 GLU 136 -14.239 -20.295 -27.141 1134 H ILE 137 H ILE 137 -16.085 -22.624 -31.224 1135 HA ILE 137 HA ILE 137 -13.723 -22.334 -32.937 1136 HB ILE 137 HB ILE 137 -14.457 -24.585 -33.838 1137 HG12 ILE 137 HG12 ILE 137 -15.982 -25.109 -31.369 1138 HG13 ILE 137 HG13 ILE 137 -16.796 -24.066 -32.532 1139 HG21 ILE 137 HG21 ILE 137 -13.797 -25.735 -31.584 1140 HG22 ILE 137 HG22 ILE 137 -13.508 -24.077 -31.058 1141 HG23 ILE 137 HG23 ILE 137 -12.636 -24.726 -32.446 1142 HD11 ILE 137 HD11 ILE 137 -17.531 -26.088 -33.249 1143 HD12 ILE 137 HD12 ILE 137 -16.072 -26.930 -32.726 1144 HD13 ILE 137 HD13 ILE 137 -16.054 -25.970 -34.206 Start of MODEL 9 1 H1 GLY -2 H1 GLY -2 -13.497 13.048 -15.239 2 H2 GLY -2 H2 GLY -2 -14.715 13.138 -16.408 3 H3 GLY -2 H3 GLY -2 -13.995 14.554 -15.827 4 HA2 GLY -2 HA2 GLY -2 -13.252 13.758 -18.097 5 HA3 GLY -2 HA3 GLY -2 -12.004 14.182 -16.936 6 H HIS -1 H HIS -1 -11.294 12.274 -15.518 7 HA HIS -1 HA HIS -1 -11.088 9.870 -17.210 8 HB2 HIS -1 HB2 HIS -1 -9.030 11.549 -16.130 9 HB3 HIS -1 HB3 HIS -1 -8.899 9.949 -15.408 10 HD1 HIS -1 HD1 HIS -1 -10.055 10.448 -18.948 11 HD2 HIS -1 HD2 HIS -1 -6.665 9.217 -16.884 12 HE1 HIS -1 HE1 HIS -1 -8.520 9.482 -20.690 13 HE2 HIS -1 HE2 HIS -1 -6.512 8.665 -19.405 14 H MET 0 H MET 0 -10.651 10.914 -13.826 15 HA MET 0 HA MET 0 -11.262 9.975 -11.850 16 HB2 MET 0 HB2 MET 0 -13.327 8.937 -13.730 17 HB3 MET 0 HB3 MET 0 -13.220 8.195 -12.140 18 HG2 MET 0 HG2 MET 0 -13.189 11.100 -12.032 19 HG3 MET 0 HG3 MET 0 -14.643 10.454 -12.792 20 HE1 MET 0 HE1 MET 0 -13.590 10.682 -8.464 21 HE2 MET 0 HE2 MET 0 -14.193 11.979 -9.495 22 HE3 MET 0 HE3 MET 0 -12.653 11.203 -9.864 23 H MET 1 H MET 1 -11.976 7.131 -13.842 24 HA MET 1 HA MET 1 -11.107 5.030 -13.870 25 HB2 MET 1 HB2 MET 1 -8.735 6.762 -13.432 26 HB3 MET 1 HB3 MET 1 -8.530 5.044 -13.120 27 HG2 MET 1 HG2 MET 1 -9.846 5.128 -15.551 28 HG3 MET 1 HG3 MET 1 -8.706 6.469 -15.632 29 HE1 MET 1 HE1 MET 1 -9.249 2.857 -14.705 30 HE2 MET 1 HE2 MET 1 -7.878 2.967 -13.602 31 HE3 MET 1 HE3 MET 1 -7.739 2.029 -15.088 32 H SER 2 H SER 2 -10.529 3.248 -12.514 33 HA SER 2 HA SER 2 -11.329 3.661 -9.771 34 HB2 SER 2 HB2 SER 2 -12.116 1.710 -11.114 35 HB3 SER 2 HB3 SER 2 -10.462 1.098 -11.128 36 HG SER 2 HG SER 2 -11.846 1.684 -8.731 37 H LYS 3 H LYS 3 -10.109 3.170 -7.931 38 HA LYS 3 HA LYS 3 -7.201 3.001 -8.375 39 HB2 LYS 3 HB2 LYS 3 -8.643 4.504 -6.184 40 HB3 LYS 3 HB3 LYS 3 -6.899 4.370 -6.353 41 HG2 LYS 3 HG2 LYS 3 -8.482 5.478 -8.618 42 HG3 LYS 3 HG3 LYS 3 -8.182 6.487 -7.203 43 HD2 LYS 3 HD2 LYS 3 -5.830 5.054 -8.235 44 HD3 LYS 3 HD3 LYS 3 -6.499 6.274 -9.322 45 HE2 LYS 3 HE2 LYS 3 -6.373 7.933 -7.520 46 HE3 LYS 3 HE3 LYS 3 -5.683 6.714 -6.450 47 HZ1 LYS 3 HZ1 LYS 3 -3.682 6.848 -7.441 48 HZ2 LYS 3 HZ2 LYS 3 -4.218 8.387 -7.898 49 HZ3 LYS 3 HZ3 LYS 3 -4.320 7.097 -8.987 50 H LEU 4 H LEU 4 -6.135 1.433 -7.330 51 HA LEU 4 HA LEU 4 -7.680 -0.294 -5.540 52 HB2 LEU 4 HB2 LEU 4 -6.345 -1.080 -7.633 53 HB3 LEU 4 HB3 LEU 4 -4.947 -0.939 -6.583 54 HG LEU 4 HG LEU 4 -6.990 -2.435 -5.232 55 HD11 LEU 4 HD11 LEU 4 -7.981 -3.307 -7.086 56 HD12 LEU 4 HD12 LEU 4 -6.631 -4.430 -6.932 57 HD13 LEU 4 HD13 LEU 4 -6.545 -3.102 -8.089 58 HD21 LEU 4 HD21 LEU 4 -4.555 -2.467 -4.793 59 HD22 LEU 4 HD22 LEU 4 -4.320 -3.304 -6.327 60 HD23 LEU 4 HD23 LEU 4 -5.237 -4.076 -5.033 61 H PHE 5 H PHE 5 -6.552 2.278 -4.687 62 HA PHE 5 HA PHE 5 -4.652 1.311 -2.652 63 HB2 PHE 5 HB2 PHE 5 -3.633 2.961 -4.137 64 HB3 PHE 5 HB3 PHE 5 -4.943 4.091 -3.815 65 HD1 PHE 5 HD1 PHE 5 -3.289 1.972 -1.282 66 HD2 PHE 5 HD2 PHE 5 -3.677 5.875 -2.935 67 HE1 PHE 5 HE1 PHE 5 -2.020 2.897 0.613 68 HE2 PHE 5 HE2 PHE 5 -2.410 6.805 -1.044 69 HZ PHE 5 HZ PHE 5 -1.580 5.316 0.734 70 H LEU 6 H LEU 6 -7.455 3.359 -3.277 71 HA LEU 6 HA LEU 6 -7.846 3.780 -0.412 72 HB2 LEU 6 HB2 LEU 6 -9.217 4.903 -2.850 73 HB3 LEU 6 HB3 LEU 6 -9.778 5.206 -1.217 74 HG LEU 6 HG LEU 6 -7.217 5.975 -0.941 75 HD11 LEU 6 HD11 LEU 6 -6.355 5.736 -3.061 76 HD12 LEU 6 HD12 LEU 6 -6.879 7.420 -3.084 77 HD13 LEU 6 HD13 LEU 6 -7.871 6.177 -3.845 78 HD21 LEU 6 HD21 LEU 6 -9.559 7.174 -0.705 79 HD22 LEU 6 HD22 LEU 6 -9.043 7.955 -2.200 80 HD23 LEU 6 HD23 LEU 6 -8.053 8.091 -0.747 81 H ASP 7 H ASP 7 -9.169 2.009 -3.106 82 HA ASP 7 HA ASP 7 -11.669 1.336 -2.013 83 HB2 ASP 7 HB2 ASP 7 -10.521 0.936 -4.414 84 HB3 ASP 7 HB3 ASP 7 -10.308 -0.670 -3.725 85 H GLU 8 H GLU 8 -8.514 0.312 -1.178 86 HA GLU 8 HA GLU 8 -9.472 -2.139 0.096 87 HB2 GLU 8 HB2 GLU 8 -6.693 -1.011 -0.267 88 HB3 GLU 8 HB3 GLU 8 -7.044 -2.498 0.603 89 HG2 GLU 8 HG2 GLU 8 -8.202 -2.405 -2.074 90 HG3 GLU 8 HG3 GLU 8 -6.442 -2.308 -2.052 91 H LEU 9 H LEU 9 -10.373 0.379 1.126 92 HA LEU 9 HA LEU 9 -9.478 0.061 3.874 93 HB2 LEU 9 HB2 LEU 9 -9.266 2.649 2.347 94 HB3 LEU 9 HB3 LEU 9 -9.282 2.577 4.098 95 HG LEU 9 HG LEU 9 -7.253 1.026 2.522 96 HD11 LEU 9 HD11 LEU 9 -5.876 2.806 2.226 97 HD12 LEU 9 HD12 LEU 9 -6.528 3.685 3.607 98 HD13 LEU 9 HD13 LEU 9 -7.422 3.642 2.089 99 HD21 LEU 9 HD21 LEU 9 -5.979 1.162 4.560 100 HD22 LEU 9 HD22 LEU 9 -7.592 0.551 4.928 101 HD23 LEU 9 HD23 LEU 9 -7.181 2.230 5.285 102 HA PRO 10 HA PRO 10 -13.735 0.528 4.899 103 HB2 PRO 10 HB2 PRO 10 -12.797 2.395 7.029 104 HB3 PRO 10 HB3 PRO 10 -13.844 0.976 7.157 105 HG2 PRO 10 HG2 PRO 10 -11.308 0.864 7.954 106 HG3 PRO 10 HG3 PRO 10 -12.060 -0.507 7.119 107 HD2 PRO 10 HD2 PRO 10 -10.114 1.506 6.090 108 HD3 PRO 10 HD3 PRO 10 -10.267 -0.221 5.701 109 H GLU 11 H GLU 11 -15.450 1.967 4.668 110 HA GLU 11 HA GLU 11 -15.073 4.155 2.968 111 HB2 GLU 11 HB2 GLU 11 -17.455 4.708 3.520 112 HB3 GLU 11 HB3 GLU 11 -17.193 3.049 2.999 113 HG2 GLU 11 HG2 GLU 11 -17.451 2.213 5.180 114 HG3 GLU 11 HG3 GLU 11 -17.308 3.817 5.896 115 H SER 12 H SER 12 -15.359 3.967 6.468 116 HA SER 12 HA SER 12 -15.656 6.715 6.987 117 HB2 SER 12 HB2 SER 12 -15.732 4.510 8.537 118 HB3 SER 12 HB3 SER 12 -14.121 5.099 8.945 119 HG SER 12 HG SER 12 -15.496 6.101 10.333 120 H LEU 13 H LEU 13 -12.751 4.666 6.888 121 HA LEU 13 HA LEU 13 -10.927 6.754 7.455 122 HB2 LEU 13 HB2 LEU 13 -10.768 4.031 7.256 123 HB3 LEU 13 HB3 LEU 13 -9.921 4.539 5.807 124 HG LEU 13 HG LEU 13 -9.227 5.580 8.548 125 HD11 LEU 13 HD11 LEU 13 -7.205 3.919 7.990 126 HD12 LEU 13 HD12 LEU 13 -8.526 3.036 7.222 127 HD13 LEU 13 HD13 LEU 13 -8.613 3.440 8.938 128 HD21 LEU 13 HD21 LEU 13 -7.594 5.480 6.019 129 HD22 LEU 13 HD22 LEU 13 -7.197 6.306 7.526 130 HD23 LEU 13 HD23 LEU 13 -8.533 6.882 6.529 131 H SER 14 H SER 14 -11.921 5.228 4.401 132 HA SER 14 HA SER 14 -10.301 6.577 2.631 133 HB2 SER 14 HB2 SER 14 -12.222 4.763 2.304 134 HB3 SER 14 HB3 SER 14 -13.151 6.189 1.846 135 HG SER 14 HG SER 14 -12.051 5.173 0.074 136 H ARG 15 H ARG 15 -13.060 7.775 4.382 137 HA ARG 15 HA ARG 15 -13.461 10.104 2.774 138 HB2 ARG 15 HB2 ARG 15 -14.777 8.838 4.937 139 HB3 ARG 15 HB3 ARG 15 -14.398 10.472 5.463 140 HG2 ARG 15 HG2 ARG 15 -15.732 11.446 3.860 141 HG3 ARG 15 HG3 ARG 15 -15.654 10.042 2.793 142 HD2 ARG 15 HD2 ARG 15 -16.910 9.650 5.446 143 HD3 ARG 15 HD3 ARG 15 -17.800 10.627 4.280 144 HE ARG 15 HE ARG 15 -16.858 8.160 3.173 145 HH11 ARG 15 HH11 ARG 15 -19.403 9.627 5.057 146 HH12 ARG 15 HH12 ARG 15 -20.576 8.421 4.644 147 HH21 ARG 15 HH21 ARG 15 -18.399 6.574 2.627 148 HH22 ARG 15 HH22 ARG 15 -20.005 6.687 3.265 149 H LYS 16 H LYS 16 -11.571 9.332 5.628 150 HA LYS 16 HA LYS 16 -10.838 12.068 6.142 151 HB2 LYS 16 HB2 LYS 16 -9.549 9.567 7.239 152 HB3 LYS 16 HB3 LYS 16 -9.464 11.190 7.910 153 HG2 LYS 16 HG2 LYS 16 -11.986 11.040 8.185 154 HG3 LYS 16 HG3 LYS 16 -11.804 9.315 7.859 155 HD2 LYS 16 HD2 LYS 16 -10.873 8.902 9.873 156 HD3 LYS 16 HD3 LYS 16 -9.960 10.412 9.872 157 HE2 LYS 16 HE2 LYS 16 -12.930 10.255 10.348 158 HE3 LYS 16 HE3 LYS 16 -11.733 10.232 11.642 159 HZ1 LYS 16 HZ1 LYS 16 -11.793 12.407 9.644 160 HZ2 LYS 16 HZ2 LYS 16 -11.084 12.404 11.181 161 HZ3 LYS 16 HZ3 LYS 16 -12.768 12.458 11.025 162 H ILE 17 H ILE 17 -9.476 9.328 4.434 163 HA ILE 17 HA ILE 17 -6.846 10.332 4.162 164 HB ILE 17 HB ILE 17 -8.296 8.455 2.291 165 HG12 ILE 17 HG12 ILE 17 -6.465 7.667 4.551 166 HG13 ILE 17 HG13 ILE 17 -8.201 7.836 4.785 167 HG21 ILE 17 HG21 ILE 17 -6.190 9.471 1.438 168 HG22 ILE 17 HG22 ILE 17 -6.125 7.716 1.600 169 HG23 ILE 17 HG23 ILE 17 -5.340 8.742 2.800 170 HD11 ILE 17 HD11 ILE 17 -8.353 5.708 4.185 171 HD12 ILE 17 HD12 ILE 17 -6.690 5.678 3.598 172 HD13 ILE 17 HD13 ILE 17 -7.988 6.238 2.542 173 H GLY 18 H GLY 18 -9.637 10.401 1.944 174 HA2 GLY 18 HA2 GLY 18 -8.390 11.819 -0.127 175 HA3 GLY 18 HA3 GLY 18 -10.122 11.769 0.168 176 H THR 19 H THR 19 -9.554 12.913 2.933 177 HA THR 19 HA THR 19 -9.831 15.667 2.146 178 HB THR 19 HB THR 19 -9.670 15.695 4.886 179 HG1 THR 19 HG1 THR 19 -9.898 13.751 5.588 180 HG21 THR 19 HG21 THR 19 -11.503 16.635 3.567 181 HG22 THR 19 HG22 THR 19 -12.083 15.677 4.928 182 HG23 THR 19 HG23 THR 19 -12.130 15.009 3.297 183 H VAL 20 H VAL 20 -7.391 13.687 3.737 184 HA VAL 20 HA VAL 20 -5.692 15.934 4.330 185 HB VAL 20 HB VAL 20 -5.689 13.951 5.769 186 HG11 VAL 20 HG11 VAL 20 -5.026 12.595 3.238 187 HG12 VAL 20 HG12 VAL 20 -5.922 12.015 4.639 188 HG13 VAL 20 HG13 VAL 20 -4.160 12.039 4.667 189 HG21 VAL 20 HG21 VAL 20 -3.036 14.419 4.412 190 HG22 VAL 20 HG22 VAL 20 -3.277 13.739 6.023 191 HG23 VAL 20 HG23 VAL 20 -3.727 15.413 5.695 192 H VAL 21 H VAL 21 -5.990 13.582 1.766 193 HA VAL 21 HA VAL 21 -3.476 13.777 0.584 194 HB VAL 21 HB VAL 21 -6.103 13.473 -0.879 195 HG11 VAL 21 HG11 VAL 21 -4.674 12.181 -2.486 196 HG12 VAL 21 HG12 VAL 21 -3.265 12.797 -1.622 197 HG13 VAL 21 HG13 VAL 21 -4.360 13.915 -2.436 198 HG21 VAL 21 HG21 VAL 21 -6.339 11.478 0.067 199 HG22 VAL 21 HG22 VAL 21 -4.913 11.780 1.060 200 HG23 VAL 21 HG23 VAL 21 -4.744 11.000 -0.511 201 H ARG 22 H ARG 22 -6.252 15.925 0.372 202 HA ARG 22 HA ARG 22 -5.534 17.481 -1.805 203 HB2 ARG 22 HB2 ARG 22 -7.046 18.078 0.717 204 HB3 ARG 22 HB3 ARG 22 -6.727 19.354 -0.450 205 HG2 ARG 22 HG2 ARG 22 -8.254 18.590 -1.899 206 HG3 ARG 22 HG3 ARG 22 -7.837 16.900 -1.606 207 HD2 ARG 22 HD2 ARG 22 -9.829 16.813 -0.576 208 HD3 ARG 22 HD3 ARG 22 -8.982 17.585 0.763 209 HE ARG 22 HE ARG 22 -9.804 19.683 -0.723 210 HH11 ARG 22 HH11 ARG 22 -11.461 16.896 0.567 211 HH12 ARG 22 HH12 ARG 22 -12.976 17.716 0.732 212 HH21 ARG 22 HH21 ARG 22 -11.798 20.765 -0.509 213 HH22 ARG 22 HH22 ARG 22 -13.167 19.912 0.121 214 H VAL 23 H VAL 23 -4.212 17.417 1.411 215 HA VAL 23 HA VAL 23 -2.792 19.909 1.152 216 HB VAL 23 HB VAL 23 -2.306 17.726 3.178 217 HG11 VAL 23 HG11 VAL 23 -1.918 20.646 3.649 218 HG12 VAL 23 HG12 VAL 23 -0.692 19.736 2.767 219 HG13 VAL 23 HG13 VAL 23 -1.125 19.269 4.412 220 HG21 VAL 23 HG21 VAL 23 -3.768 19.542 4.521 221 HG22 VAL 23 HG22 VAL 23 -4.459 18.118 3.741 222 HG23 VAL 23 HG23 VAL 23 -4.501 19.680 2.922 223 H LEU 24 H LEU 24 -2.048 16.475 0.828 224 HA LEU 24 HA LEU 24 0.464 17.212 -0.494 225 HB2 LEU 24 HB2 LEU 24 0.202 15.816 2.016 226 HB3 LEU 24 HB3 LEU 24 0.986 14.795 0.828 227 HG LEU 24 HG LEU 24 1.890 17.512 1.757 228 HD11 LEU 24 HD11 LEU 24 3.912 15.573 1.955 229 HD12 LEU 24 HD12 LEU 24 2.449 14.846 2.619 230 HD13 LEU 24 HD13 LEU 24 3.045 16.374 3.263 231 HD21 LEU 24 HD21 LEU 24 3.892 16.995 0.281 232 HD22 LEU 24 HD22 LEU 24 2.412 17.514 -0.525 233 HD23 LEU 24 HD23 LEU 24 2.857 15.811 -0.508 234 HA PRO 25 HA PRO 25 -2.004 14.091 -2.908 235 HB2 PRO 25 HB2 PRO 25 -2.012 15.451 -5.245 236 HB3 PRO 25 HB3 PRO 25 -3.222 15.726 -3.986 237 HG2 PRO 25 HG2 PRO 25 -0.765 17.309 -4.633 238 HG3 PRO 25 HG3 PRO 25 -2.392 17.884 -4.226 239 HD2 PRO 25 HD2 PRO 25 -0.349 17.810 -2.429 240 HD3 PRO 25 HD3 PRO 25 -2.054 17.628 -1.967 241 H SER 26 H SER 26 1.064 15.519 -2.952 242 HA SER 26 HA SER 26 2.015 13.767 -5.101 243 HB2 SER 26 HB2 SER 26 3.246 16.204 -3.807 244 HB3 SER 26 HB3 SER 26 4.107 15.173 -4.950 245 HG SER 26 HG SER 26 3.036 17.045 -5.881 246 H SER 27 H SER 27 2.410 14.510 -1.675 247 HA SER 27 HA SER 27 4.684 12.831 -1.298 248 HB2 SER 27 HB2 SER 27 4.384 14.470 0.366 249 HB3 SER 27 HB3 SER 27 2.684 14.064 0.583 250 HG SER 27 HG SER 27 3.912 13.220 2.282 251 H LEU 28 H LEU 28 1.225 12.318 -1.225 252 HA LEU 28 HA LEU 28 1.082 9.894 0.117 253 HB2 LEU 28 HB2 LEU 28 -0.694 11.497 -1.213 254 HB3 LEU 28 HB3 LEU 28 -0.654 10.082 -2.244 255 HG LEU 28 HG LEU 28 -1.632 10.341 0.569 256 HD11 LEU 28 HD11 LEU 28 -3.565 9.294 -0.266 257 HD12 LEU 28 HD12 LEU 28 -2.735 8.740 -1.721 258 HD13 LEU 28 HD13 LEU 28 -3.087 10.455 -1.506 259 HD21 LEU 28 HD21 LEU 28 -0.475 7.872 -0.689 260 HD22 LEU 28 HD22 LEU 28 -1.720 7.785 0.557 261 HD23 LEU 28 HD23 LEU 28 -0.170 8.545 0.913 262 H GLU 29 H GLU 29 2.027 10.579 -3.193 263 HA GLU 29 HA GLU 29 1.933 7.998 -4.250 264 HB2 GLU 29 HB2 GLU 29 3.404 10.497 -4.899 265 HB3 GLU 29 HB3 GLU 29 4.010 9.008 -5.609 266 HG2 GLU 29 HG2 GLU 29 1.725 8.584 -6.502 267 HG3 GLU 29 HG3 GLU 29 1.260 10.184 -5.921 268 H ILE 30 H ILE 30 4.310 9.556 -2.205 269 HA ILE 30 HA ILE 30 6.407 7.696 -2.538 270 HB ILE 30 HB ILE 30 5.808 9.342 -0.076 271 HG12 ILE 30 HG12 ILE 30 7.724 10.136 -2.248 272 HG13 ILE 30 HG13 ILE 30 6.013 10.522 -2.395 273 HG21 ILE 30 HG21 ILE 30 8.490 9.199 -0.221 274 HG22 ILE 30 HG22 ILE 30 8.060 7.642 -0.931 275 HG23 ILE 30 HG23 ILE 30 7.499 8.058 0.689 276 HD11 ILE 30 HD11 ILE 30 7.224 12.395 -1.483 277 HD12 ILE 30 HD12 ILE 30 7.854 11.389 -0.180 278 HD13 ILE 30 HD13 ILE 30 6.128 11.739 -0.267 279 H PHE 31 H PHE 31 3.778 7.908 -0.162 280 HA PHE 31 HA PHE 31 4.555 5.563 1.258 281 HB2 PHE 31 HB2 PHE 31 1.850 6.916 1.183 282 HB3 PHE 31 HB3 PHE 31 2.412 5.774 2.399 283 HD1 PHE 31 HD1 PHE 31 4.732 6.499 3.516 284 HD2 PHE 31 HD2 PHE 31 1.917 9.137 1.724 285 HE1 PHE 31 HE1 PHE 31 5.637 8.360 4.847 286 HE2 PHE 31 HE2 PHE 31 2.815 11.005 3.050 287 HZ PHE 31 HZ PHE 31 4.678 10.616 4.615 288 H GLU 32 H GLU 32 2.668 6.164 -1.587 289 HA GLU 32 HA GLU 32 1.061 3.891 -1.679 290 HB2 GLU 32 HB2 GLU 32 1.606 6.013 -3.368 291 HB3 GLU 32 HB3 GLU 32 2.189 4.625 -4.276 292 HG2 GLU 32 HG2 GLU 32 -0.258 3.787 -3.326 293 HG3 GLU 32 HG3 GLU 32 -0.523 5.485 -3.717 294 H GLU 33 H GLU 33 4.428 4.346 -2.644 295 HA GLU 33 HA GLU 33 4.695 1.644 -3.606 296 HB2 GLU 33 HB2 GLU 33 6.339 4.067 -3.541 297 HB3 GLU 33 HB3 GLU 33 7.260 2.595 -3.265 298 HG2 GLU 33 HG2 GLU 33 5.377 2.403 -5.487 299 HG3 GLU 33 HG3 GLU 33 6.615 3.639 -5.702 300 H LEU 34 H LEU 34 5.119 3.325 -0.611 301 HA LEU 34 HA LEU 34 6.907 1.541 0.652 302 HB2 LEU 34 HB2 LEU 34 5.933 3.938 1.308 303 HB3 LEU 34 HB3 LEU 34 4.848 2.947 2.264 304 HG LEU 34 HG LEU 34 7.861 2.958 2.456 305 HD11 LEU 34 HD11 LEU 34 6.103 3.707 4.716 306 HD12 LEU 34 HD12 LEU 34 6.265 4.870 3.401 307 HD13 LEU 34 HD13 LEU 34 7.697 4.313 4.267 308 HD21 LEU 34 HD21 LEU 34 7.390 0.815 3.094 309 HD22 LEU 34 HD22 LEU 34 5.754 1.211 3.620 310 HD23 LEU 34 HD23 LEU 34 7.134 1.646 4.628 311 H TYR 35 H TYR 35 3.352 1.775 0.763 312 HA TYR 35 HA TYR 35 2.980 -0.451 2.446 313 HB2 TYR 35 HB2 TYR 35 0.730 -0.099 2.171 314 HB3 TYR 35 HB3 TYR 35 1.329 1.460 1.623 315 HD1 TYR 35 HD1 TYR 35 0.138 -1.847 0.432 316 HD2 TYR 35 HD2 TYR 35 0.870 2.225 -0.555 317 HE1 TYR 35 HE1 TYR 35 -1.033 -2.163 -1.706 318 HE2 TYR 35 HE2 TYR 35 -0.303 1.921 -2.696 319 HH TYR 35 HH TYR 35 -0.900 0.118 -4.229 320 H LYS 36 H LYS 36 3.243 -0.149 -1.046 321 HA LYS 36 HA LYS 36 2.561 -2.888 -1.563 322 HB2 LYS 36 HB2 LYS 36 2.341 -0.876 -3.158 323 HB3 LYS 36 HB3 LYS 36 4.061 -1.089 -3.452 324 HG2 LYS 36 HG2 LYS 36 3.765 -2.982 -4.652 325 HG3 LYS 36 HG3 LYS 36 2.361 -3.492 -3.709 326 HD2 LYS 36 HD2 LYS 36 0.896 -2.286 -4.987 327 HD3 LYS 36 HD3 LYS 36 2.099 -1.066 -5.409 328 HE2 LYS 36 HE2 LYS 36 2.094 -2.097 -7.408 329 HE3 LYS 36 HE3 LYS 36 3.154 -3.254 -6.604 330 HZ1 LYS 36 HZ1 LYS 36 1.449 -4.465 -7.693 331 HZ2 LYS 36 HZ2 LYS 36 0.228 -3.495 -7.032 332 HZ3 LYS 36 HZ3 LYS 36 1.113 -4.537 -6.035 333 H TYR 37 H TYR 37 5.482 -1.073 -0.977 334 HA TYR 37 HA TYR 37 7.377 -2.888 -1.950 335 HB2 TYR 37 HB2 TYR 37 8.040 -0.654 -1.340 336 HB3 TYR 37 HB3 TYR 37 7.528 -0.902 0.324 337 HD1 TYR 37 HD1 TYR 37 8.797 -2.596 1.729 338 HD2 TYR 37 HD2 TYR 37 10.229 -1.175 -2.017 339 HE1 TYR 37 HE1 TYR 37 11.065 -3.336 2.322 340 HE2 TYR 37 HE2 TYR 37 12.501 -1.911 -1.435 341 HH TYR 37 HH TYR 37 13.311 -3.997 0.541 342 H ALA 38 H ALA 38 6.015 -2.551 1.322 343 HA ALA 38 HA ALA 38 7.411 -4.751 2.423 344 HB1 ALA 38 HB1 ALA 38 5.949 -2.745 3.476 345 HB2 ALA 38 HB2 ALA 38 6.390 -4.208 4.358 346 HB3 ALA 38 HB3 ALA 38 4.801 -4.077 3.606 347 H LEU 39 H LEU 39 4.400 -4.453 0.679 348 HA LEU 39 HA LEU 39 3.308 -6.973 1.343 349 HB2 LEU 39 HB2 LEU 39 2.743 -4.813 -0.526 350 HB3 LEU 39 HB3 LEU 39 2.388 -6.388 -1.209 351 HG LEU 39 HG LEU 39 1.353 -5.978 1.515 352 HD11 LEU 39 HD11 LEU 39 -0.595 -4.661 0.617 353 HD12 LEU 39 HD12 LEU 39 0.393 -4.316 -0.800 354 HD13 LEU 39 HD13 LEU 39 0.914 -3.767 0.792 355 HD21 LEU 39 HD21 LEU 39 -0.205 -7.459 0.841 356 HD22 LEU 39 HD22 LEU 39 0.965 -7.798 -0.434 357 HD23 LEU 39 HD23 LEU 39 -0.388 -6.710 -0.745 358 H ASN 40 H ASN 40 5.655 -5.930 -1.024 359 HA ASN 40 HA ASN 40 5.617 -8.203 -2.686 360 HB2 ASN 40 HB2 ASN 40 7.176 -5.809 -2.422 361 HB3 ASN 40 HB3 ASN 40 8.261 -7.182 -2.621 362 HD21 ASN 40 HD21 ASN 40 5.114 -6.199 -3.941 363 HD22 ASN 40 HD22 ASN 40 5.539 -6.453 -5.596 364 H GLU 41 H GLU 41 7.087 -7.576 0.407 365 HA GLU 41 HA GLU 41 9.054 -9.550 0.464 366 HB2 GLU 41 HB2 GLU 41 7.326 -8.510 2.714 367 HB3 GLU 41 HB3 GLU 41 8.774 -9.483 2.935 368 HG2 GLU 41 HG2 GLU 41 8.918 -6.936 1.391 369 HG3 GLU 41 HG3 GLU 41 8.891 -6.900 3.152 370 H ASN 42 H ASN 42 5.590 -9.778 0.842 371 HA ASN 42 HA ASN 42 5.452 -12.338 2.001 372 HB2 ASN 42 HB2 ASN 42 3.512 -10.825 0.247 373 HB3 ASN 42 HB3 ASN 42 3.130 -12.375 0.992 374 HD21 ASN 42 HD21 ASN 42 3.562 -8.996 1.478 375 HD22 ASN 42 HD22 ASN 42 3.048 -8.948 3.127 376 H SER 43 H SER 43 5.910 -11.267 -1.292 377 HA SER 43 HA SER 43 5.337 -13.745 -2.553 378 HB2 SER 43 HB2 SER 43 5.356 -11.560 -3.742 379 HB3 SER 43 HB3 SER 43 7.108 -11.499 -3.548 380 HG SER 43 HG SER 43 7.306 -13.272 -4.866 381 H ASN 44 H ASN 44 8.393 -12.172 -1.629 382 HA ASN 44 HA ASN 44 9.622 -14.691 -1.059 383 HB2 ASN 44 HB2 ASN 44 10.214 -13.281 -3.622 384 HB3 ASN 44 HB3 ASN 44 11.542 -14.066 -2.773 385 HD21 ASN 44 HD21 ASN 44 10.652 -16.325 -1.846 386 HD22 ASN 44 HD22 ASN 44 9.989 -17.336 -3.081 387 H ASP 45 H ASP 45 11.092 -11.719 -2.290 388 HA ASP 45 HA ASP 45 11.728 -10.760 0.349 389 HB2 ASP 45 HB2 ASP 45 13.445 -12.597 -0.286 390 HB3 ASP 45 HB3 ASP 45 14.089 -11.394 -1.398 391 H ARG 46 H ARG 46 12.897 -10.516 -3.015 392 HA ARG 46 HA ARG 46 12.031 -7.747 -3.121 393 HB2 ARG 46 HB2 ARG 46 14.928 -8.565 -3.343 394 HB3 ARG 46 HB3 ARG 46 14.316 -7.038 -3.964 395 HG2 ARG 46 HG2 ARG 46 13.646 -6.356 -1.749 396 HG3 ARG 46 HG3 ARG 46 14.127 -7.922 -1.092 397 HD2 ARG 46 HD2 ARG 46 16.445 -7.343 -2.108 398 HD3 ARG 46 HD3 ARG 46 15.837 -5.689 -2.116 399 HE ARG 46 HE ARG 46 15.368 -6.639 0.422 400 HH11 ARG 46 HH11 ARG 46 18.163 -6.181 -1.617 401 HH12 ARG 46 HH12 ARG 46 19.241 -5.908 -0.291 402 HH21 ARG 46 HH21 ARG 46 16.786 -6.280 2.168 403 HH22 ARG 46 HH22 ARG 46 18.460 -5.965 1.858 404 H SER 47 H SER 47 12.597 -6.810 -5.360 405 HA SER 47 HA SER 47 12.639 -8.879 -7.430 406 HB2 SER 47 HB2 SER 47 10.402 -6.994 -6.851 407 HB3 SER 47 HB3 SER 47 10.779 -7.327 -8.542 408 HG SER 47 HG SER 47 9.321 -8.856 -7.912 409 H GLU 48 H GLU 48 12.795 -7.842 -9.657 410 HA GLU 48 HA GLU 48 14.491 -5.436 -9.495 411 HB2 GLU 48 HB2 GLU 48 14.727 -7.717 -11.465 412 HB3 GLU 48 HB3 GLU 48 15.767 -6.301 -11.389 413 HG2 GLU 48 HG2 GLU 48 15.797 -7.461 -8.827 414 HG3 GLU 48 HG3 GLU 48 15.974 -8.778 -9.985 415 H HIS 49 H HIS 49 14.756 -4.682 -12.017 416 HA HIS 49 HA HIS 49 12.067 -4.534 -13.183 417 HB2 HIS 49 HB2 HIS 49 13.605 -2.344 -12.000 418 HB3 HIS 49 HB3 HIS 49 13.081 -2.009 -13.646 419 HD1 HIS 49 HD1 HIS 49 10.312 -3.394 -13.544 420 HD2 HIS 49 HD2 HIS 49 11.792 -0.851 -10.609 421 HE1 HIS 49 HE1 HIS 49 8.289 -2.497 -12.347 422 HE2 HIS 49 HE2 HIS 49 9.207 -0.900 -10.629 423 H HIS 50 H HIS 50 12.145 -5.136 -15.235 424 HA HIS 50 HA HIS 50 14.399 -4.302 -16.898 425 HB2 HIS 50 HB2 HIS 50 14.066 -6.960 -15.932 426 HB3 HIS 50 HB3 HIS 50 13.725 -6.973 -17.660 427 HD1 HIS 50 HD1 HIS 50 16.269 -4.620 -16.247 428 HD2 HIS 50 HD2 HIS 50 16.136 -8.251 -18.263 429 HE1 HIS 50 HE1 HIS 50 18.634 -5.074 -16.971 430 HE2 HIS 50 HE2 HIS 50 18.543 -7.315 -18.119 431 H LYS 51 H LYS 51 13.935 -4.143 -19.101 432 HA LYS 51 HA LYS 51 11.323 -3.404 -19.776 433 HB2 LYS 51 HB2 LYS 51 13.870 -3.805 -21.223 434 HB3 LYS 51 HB3 LYS 51 12.415 -3.894 -22.207 435 HG2 LYS 51 HG2 LYS 51 13.223 -1.653 -22.265 436 HG3 LYS 51 HG3 LYS 51 11.743 -1.677 -21.304 437 HD2 LYS 51 HD2 LYS 51 12.954 -0.526 -19.802 438 HD3 LYS 51 HD3 LYS 51 13.639 -2.101 -19.396 439 HE2 LYS 51 HE2 LYS 51 15.308 -1.558 -21.323 440 HE3 LYS 51 HE3 LYS 51 14.799 0.107 -21.042 441 HZ1 LYS 51 HZ1 LYS 51 16.813 -0.948 -19.757 442 HZ2 LYS 51 HZ2 LYS 51 15.591 -1.501 -18.727 443 HZ3 LYS 51 HZ3 LYS 51 15.779 0.157 -19.004 444 H LYS 52 H LYS 52 10.548 -4.481 -22.098 445 HA LYS 52 HA LYS 52 10.610 -7.327 -22.150 446 HB2 LYS 52 HB2 LYS 52 8.583 -6.041 -20.522 447 HB3 LYS 52 HB3 LYS 52 7.857 -6.997 -21.808 448 HG2 LYS 52 HG2 LYS 52 8.639 -8.973 -20.973 449 HG3 LYS 52 HG3 LYS 52 10.031 -8.220 -20.193 450 HD2 LYS 52 HD2 LYS 52 7.305 -7.523 -19.219 451 HD3 LYS 52 HD3 LYS 52 7.974 -9.098 -18.790 452 HE2 LYS 52 HE2 LYS 52 9.371 -6.468 -18.327 453 HE3 LYS 52 HE3 LYS 52 8.413 -7.310 -17.110 454 HZ1 LYS 52 HZ1 LYS 52 10.912 -8.259 -18.399 455 HZ2 LYS 52 HZ2 LYS 52 9.936 -9.235 -17.418 456 HZ3 LYS 52 HZ3 LYS 52 10.683 -7.864 -16.769 457 HA PRO 53 HA PRO 53 7.524 -5.861 -25.537 458 HB2 PRO 53 HB2 PRO 53 6.736 -3.258 -25.530 459 HB3 PRO 53 HB3 PRO 53 5.862 -4.532 -24.675 460 HG2 PRO 53 HG2 PRO 53 7.824 -2.538 -23.608 461 HG3 PRO 53 HG3 PRO 53 6.286 -3.078 -22.911 462 HD2 PRO 53 HD2 PRO 53 8.670 -4.020 -22.059 463 HD3 PRO 53 HD3 PRO 53 7.205 -5.021 -22.070 464 H ARG 54 H ARG 54 8.736 -5.805 -27.312 465 HA ARG 54 HA ARG 54 10.275 -3.394 -27.916 466 HB2 ARG 54 HB2 ARG 54 11.390 -6.095 -27.429 467 HB3 ARG 54 HB3 ARG 54 12.025 -5.237 -28.825 468 HG2 ARG 54 HG2 ARG 54 12.621 -3.347 -27.384 469 HG3 ARG 54 HG3 ARG 54 12.009 -4.233 -25.986 470 HD2 ARG 54 HD2 ARG 54 14.363 -4.527 -26.011 471 HD3 ARG 54 HD3 ARG 54 13.650 -6.048 -26.546 472 HE ARG 54 HE ARG 54 14.138 -4.710 -28.859 473 HH11 ARG 54 HH11 ARG 54 16.100 -5.591 -26.112 474 HH12 ARG 54 HH12 ARG 54 17.559 -5.716 -27.036 475 HH21 ARG 54 HH21 ARG 54 16.055 -4.874 -30.076 476 HH22 ARG 54 HH22 ARG 54 17.534 -5.308 -29.287 477 H ILE 55 H ILE 55 8.505 -3.096 -29.407 478 HA ILE 55 HA ILE 55 7.448 -3.245 -31.421 479 HB ILE 55 HB ILE 55 10.141 -4.279 -32.308 480 HG12 ILE 55 HG12 ILE 55 9.868 -1.587 -33.017 481 HG13 ILE 55 HG13 ILE 55 9.266 -1.679 -31.364 482 HG21 ILE 55 HG21 ILE 55 8.320 -4.621 -33.941 483 HG22 ILE 55 HG22 ILE 55 9.543 -3.485 -34.510 484 HG23 ILE 55 HG23 ILE 55 7.997 -2.887 -33.907 485 HD11 ILE 55 HD11 ILE 55 11.945 -1.636 -32.283 486 HD12 ILE 55 HD12 ILE 55 11.656 -3.183 -31.490 487 HD13 ILE 55 HD13 ILE 55 11.344 -1.678 -30.624 488 H ASP 56 H ASP 56 5.895 -4.802 -31.153 489 HA ASP 56 HA ASP 56 6.515 -7.606 -31.294 490 HB2 ASP 56 HB2 ASP 56 4.569 -6.390 -30.021 491 HB3 ASP 56 HB3 ASP 56 3.731 -6.532 -31.564 492 H ASP 57 H ASP 57 7.567 -7.574 -33.392 493 HA ASP 57 HA ASP 57 5.676 -8.155 -35.507 494 HB2 ASP 57 HB2 ASP 57 6.370 -5.621 -35.516 495 HB3 ASP 57 HB3 ASP 57 7.861 -6.235 -36.223 496 H SER 58 H SER 58 7.468 -9.760 -34.013 497 HA SER 58 HA SER 58 9.236 -10.667 -36.180 498 HB2 SER 58 HB2 SER 58 10.857 -11.371 -34.323 499 HB3 SER 58 HB3 SER 58 10.768 -9.648 -34.690 500 HG SER 58 HG SER 58 9.781 -9.278 -32.821 501 H SER 59 H SER 59 9.063 -12.771 -36.642 502 HA SER 59 HA SER 59 7.590 -14.476 -34.743 503 HB2 SER 59 HB2 SER 59 7.594 -14.420 -37.758 504 HB3 SER 59 HB3 SER 59 7.025 -15.824 -36.856 505 HG SER 59 HG SER 59 5.214 -14.787 -36.710 506 H ASP 60 H ASP 60 8.491 -16.346 -34.093 507 HA ASP 60 HA ASP 60 10.986 -17.196 -35.412 508 HB2 ASP 60 HB2 ASP 60 10.360 -17.073 -32.459 509 HB3 ASP 60 HB3 ASP 60 11.726 -17.966 -33.119 510 H LEU 61 H LEU 61 10.799 -19.143 -36.277 511 HA LEU 61 HA LEU 61 8.745 -20.970 -35.263 512 HB2 LEU 61 HB2 LEU 61 10.153 -20.633 -37.868 513 HB3 LEU 61 HB3 LEU 61 9.569 -22.232 -37.444 514 HG LEU 61 HG LEU 61 7.337 -20.806 -36.961 515 HD11 LEU 61 HD11 LEU 61 9.023 -19.174 -38.760 516 HD12 LEU 61 HD12 LEU 61 7.760 -18.687 -37.631 517 HD13 LEU 61 HD13 LEU 61 7.326 -19.358 -39.204 518 HD21 LEU 61 HD21 LEU 61 8.093 -21.692 -39.734 519 HD22 LEU 61 HD22 LEU 61 6.491 -21.670 -38.998 520 HD23 LEU 61 HD23 LEU 61 7.706 -22.816 -38.433 521 H LEU 62 H LEU 62 11.222 -20.562 -33.824 522 HA LEU 62 HA LEU 62 12.003 -23.332 -33.571 523 HB2 LEU 62 HB2 LEU 62 14.477 -22.634 -33.661 524 HB3 LEU 62 HB3 LEU 62 13.623 -22.890 -35.171 525 HG LEU 62 HG LEU 62 13.330 -20.148 -34.499 526 HD11 LEU 62 HD11 LEU 62 15.533 -20.971 -33.187 527 HD12 LEU 62 HD12 LEU 62 15.341 -19.357 -33.871 528 HD13 LEU 62 HD13 LEU 62 16.227 -20.592 -34.764 529 HD21 LEU 62 HD21 LEU 62 15.234 -21.179 -36.562 530 HD22 LEU 62 HD22 LEU 62 14.135 -19.802 -36.640 531 HD23 LEU 62 HD23 LEU 62 13.499 -21.445 -36.740 532 H LYS 63 H LYS 63 12.685 -19.985 -32.607 533 HA LYS 63 HA LYS 63 13.850 -20.528 -30.129 534 HB2 LYS 63 HB2 LYS 63 13.144 -18.251 -31.574 535 HB3 LYS 63 HB3 LYS 63 12.229 -18.120 -30.079 536 HG2 LYS 63 HG2 LYS 63 14.442 -18.605 -28.895 537 HG3 LYS 63 HG3 LYS 63 15.199 -18.257 -30.451 538 HD2 LYS 63 HD2 LYS 63 14.388 -16.035 -30.456 539 HD3 LYS 63 HD3 LYS 63 13.277 -16.362 -29.124 540 HE2 LYS 63 HE2 LYS 63 16.246 -16.635 -28.792 541 HE3 LYS 63 HE3 LYS 63 15.442 -15.077 -28.613 542 HZ1 LYS 63 HZ1 LYS 63 15.795 -16.783 -26.610 543 HZ2 LYS 63 HZ2 LYS 63 14.269 -17.286 -27.139 544 HZ3 LYS 63 HZ3 LYS 63 14.516 -15.680 -26.670 545 H THR 64 H THR 64 10.563 -20.714 -31.147 546 HA THR 64 HA THR 64 8.619 -21.232 -30.106 547 HB THR 64 HB THR 64 8.719 -22.813 -28.267 548 HG1 THR 64 HG1 THR 64 11.517 -22.473 -28.155 549 HG21 THR 64 HG21 THR 64 9.600 -23.393 -30.685 550 HG22 THR 64 HG22 THR 64 9.659 -24.558 -29.362 551 HG23 THR 64 HG23 THR 64 11.106 -23.650 -29.802 552 H ASP 65 H ASP 65 10.454 -20.817 -27.105 553 HA ASP 65 HA ASP 65 10.015 -19.570 -25.252 554 HB2 ASP 65 HB2 ASP 65 10.043 -17.169 -25.604 555 HB3 ASP 65 HB3 ASP 65 11.180 -17.943 -26.703 556 H GLU 66 H GLU 66 8.232 -20.188 -24.204 557 HA GLU 66 HA GLU 66 6.108 -20.149 -23.396 558 HB2 GLU 66 HB2 GLU 66 5.823 -17.645 -25.067 559 HB3 GLU 66 HB3 GLU 66 4.724 -18.164 -23.797 560 HG2 GLU 66 HG2 GLU 66 6.032 -17.373 -22.171 561 HG3 GLU 66 HG3 GLU 66 7.508 -17.956 -22.940 562 H ILE 67 H ILE 67 3.822 -20.441 -24.025 563 HA ILE 67 HA ILE 67 2.189 -21.374 -25.309 564 HB ILE 67 HB ILE 67 3.788 -20.531 -27.724 565 HG12 ILE 67 HG12 ILE 67 1.630 -18.929 -26.346 566 HG13 ILE 67 HG13 ILE 67 3.347 -18.672 -26.051 567 HG21 ILE 67 HG21 ILE 67 2.132 -21.756 -28.651 568 HG22 ILE 67 HG22 ILE 67 1.212 -20.269 -28.423 569 HG23 ILE 67 HG23 ILE 67 1.071 -21.581 -27.253 570 HD11 ILE 67 HD11 ILE 67 2.178 -17.158 -27.735 571 HD12 ILE 67 HD12 ILE 67 2.201 -18.553 -28.814 572 HD13 ILE 67 HD13 ILE 67 3.715 -17.880 -28.211 573 H1 GLY 68 H1 GLY 68 -1.614 13.169 25.276 574 H2 GLY 68 H2 GLY 68 -1.104 13.207 23.665 575 H3 GLY 68 H3 GLY 68 -1.167 14.637 24.565 576 HA2 GLY 68 HA2 GLY 68 0.791 14.289 25.567 577 HA3 GLY 68 HA3 GLY 68 0.478 12.568 25.729 578 H HIS 69 H HIS 69 2.695 14.472 24.575 579 HA HIS 69 HA HIS 69 2.976 13.286 21.924 580 HB2 HIS 69 HB2 HIS 69 3.752 15.753 23.101 581 HB3 HIS 69 HB3 HIS 69 5.225 14.907 22.640 582 HD1 HIS 69 HD1 HIS 69 4.632 13.700 20.012 583 HD2 HIS 69 HD2 HIS 69 3.147 17.431 21.082 584 HE1 HIS 69 HE1 HIS 69 4.117 14.864 17.844 585 HE2 HIS 69 HE2 HIS 69 3.135 17.085 18.519 586 H MET 70 H MET 70 3.980 11.409 21.714 587 HA MET 70 HA MET 70 6.046 10.680 23.680 588 HB2 MET 70 HB2 MET 70 3.934 9.243 23.387 589 HB3 MET 70 HB3 MET 70 4.636 8.749 21.852 590 HG2 MET 70 HG2 MET 70 5.112 7.126 23.583 591 HG3 MET 70 HG3 MET 70 6.596 7.889 23.018 592 HE1 MET 70 HE1 MET 70 3.883 9.396 25.432 593 HE2 MET 70 HE2 MET 70 4.533 8.944 27.008 594 HE3 MET 70 HE3 MET 70 3.944 7.699 25.907 595 H MET 71 H MET 71 5.334 11.066 20.288 596 HA MET 71 HA MET 71 6.646 11.096 18.432 597 HB2 MET 71 HB2 MET 71 8.777 11.486 20.535 598 HB3 MET 71 HB3 MET 71 9.104 11.555 18.809 599 HG2 MET 71 HG2 MET 71 7.693 13.457 18.542 600 HG3 MET 71 HG3 MET 71 7.099 13.314 20.194 601 HE1 MET 71 HE1 MET 71 7.740 14.255 21.934 602 HE2 MET 71 HE2 MET 71 8.845 15.626 22.021 603 HE3 MET 71 HE3 MET 71 9.399 14.017 22.485 604 H SER 72 H SER 72 5.999 8.849 18.138 605 HA SER 72 HA SER 72 8.178 6.934 18.636 606 HB2 SER 72 HB2 SER 72 5.638 6.620 19.398 607 HB3 SER 72 HB3 SER 72 5.491 5.998 17.755 608 HG SER 72 HG SER 72 6.029 4.357 19.261 609 H LYS 73 H LYS 73 9.314 6.187 16.972 610 HA LYS 73 HA LYS 73 8.126 6.110 14.307 611 HB2 LYS 73 HB2 LYS 73 10.809 7.413 14.777 612 HB3 LYS 73 HB3 LYS 73 9.927 7.303 13.260 613 HG2 LYS 73 HG2 LYS 73 8.178 8.753 14.191 614 HG3 LYS 73 HG3 LYS 73 9.108 8.890 15.684 615 HD2 LYS 73 HD2 LYS 73 10.991 9.587 13.888 616 HD3 LYS 73 HD3 LYS 73 9.544 10.149 13.050 617 HE2 LYS 73 HE2 LYS 73 9.157 11.795 14.547 618 HE3 LYS 73 HE3 LYS 73 9.699 10.820 15.914 619 HZ1 LYS 73 HZ1 LYS 73 11.119 12.788 15.347 620 HZ2 LYS 73 HZ2 LYS 73 11.568 11.982 13.930 621 HZ3 LYS 73 HZ3 LYS 73 11.941 11.312 15.437 622 H LEU 74 H LEU 74 8.204 3.825 14.814 623 HA LEU 74 HA LEU 74 10.880 2.641 14.865 624 HB2 LEU 74 HB2 LEU 74 8.141 1.661 15.540 625 HB3 LEU 74 HB3 LEU 74 9.375 0.496 15.099 626 HG LEU 74 HG LEU 74 10.773 1.762 16.944 627 HD11 LEU 74 HD11 LEU 74 7.964 2.176 17.941 628 HD12 LEU 74 HD12 LEU 74 8.970 3.460 17.269 629 HD13 LEU 74 HD13 LEU 74 9.470 2.628 18.740 630 HD21 LEU 74 HD21 LEU 74 8.568 -0.176 17.633 631 HD22 LEU 74 HD22 LEU 74 10.042 0.112 18.558 632 HD23 LEU 74 HD23 LEU 74 10.135 -0.614 16.954 633 H PHE 75 H PHE 75 7.972 2.816 12.911 634 HA PHE 75 HA PHE 75 8.580 0.820 11.044 635 HB2 PHE 75 HB2 PHE 75 7.040 2.073 9.527 636 HB3 PHE 75 HB3 PHE 75 6.365 1.763 11.122 637 HD1 PHE 75 HD1 PHE 75 7.643 4.317 8.839 638 HD2 PHE 75 HD2 PHE 75 5.956 3.562 12.672 639 HE1 PHE 75 HE1 PHE 75 7.173 6.718 9.100 640 HE2 PHE 75 HE2 PHE 75 5.481 5.962 12.941 641 HZ PHE 75 HZ PHE 75 6.090 7.543 11.153 642 H LEU 76 H LEU 76 9.726 4.096 11.378 643 HA LEU 76 HA LEU 76 10.786 4.400 8.770 644 HB2 LEU 76 HB2 LEU 76 11.311 5.741 11.402 645 HB3 LEU 76 HB3 LEU 76 12.287 6.118 9.996 646 HG LEU 76 HG LEU 76 9.312 6.523 10.282 647 HD11 LEU 76 HD11 LEU 76 11.194 8.703 9.608 648 HD12 LEU 76 HD12 LEU 76 11.217 8.102 11.267 649 HD13 LEU 76 HD13 LEU 76 9.721 8.732 10.577 650 HD21 LEU 76 HD21 LEU 76 9.537 5.946 8.042 651 HD22 LEU 76 HD22 LEU 76 11.128 6.695 7.908 652 HD23 LEU 76 HD23 LEU 76 9.685 7.704 8.021 653 H ASP 77 H ASP 77 11.971 2.894 11.683 654 HA ASP 77 HA ASP 77 14.690 2.691 10.788 655 HB2 ASP 77 HB2 ASP 77 13.526 2.525 13.230 656 HB3 ASP 77 HB3 ASP 77 13.732 0.814 12.864 657 H GLU 78 H GLU 78 11.909 0.501 10.955 658 HA GLU 78 HA GLU 78 13.273 -1.786 10.002 659 HB2 GLU 78 HB2 GLU 78 11.083 -1.809 11.211 660 HB3 GLU 78 HB3 GLU 78 10.323 -1.171 9.759 661 HG2 GLU 78 HG2 GLU 78 11.211 -3.200 8.551 662 HG3 GLU 78 HG3 GLU 78 11.625 -3.848 10.138 663 H LEU 79 H LEU 79 10.790 0.121 8.285 664 HA LEU 79 HA LEU 79 11.216 -0.883 5.755 665 HB2 LEU 79 HB2 LEU 79 10.030 0.980 4.923 666 HB3 LEU 79 HB3 LEU 79 9.389 0.682 6.524 667 HG LEU 79 HG LEU 79 11.209 2.511 7.186 668 HD11 LEU 79 HD11 LEU 79 11.959 3.844 5.557 669 HD12 LEU 79 HD12 LEU 79 10.403 3.861 4.726 670 HD13 LEU 79 HD13 LEU 79 11.525 2.526 4.470 671 HD21 LEU 79 HD21 LEU 79 8.627 3.384 5.925 672 HD22 LEU 79 HD22 LEU 79 9.457 4.069 7.322 673 HD23 LEU 79 HD23 LEU 79 8.676 2.492 7.447 674 HA PRO 80 HA PRO 80 14.962 0.466 3.866 675 HB2 PRO 80 HB2 PRO 80 13.352 2.386 2.225 676 HB3 PRO 80 HB3 PRO 80 14.617 1.262 1.715 677 HG2 PRO 80 HG2 PRO 80 12.056 0.675 1.315 678 HG3 PRO 80 HG3 PRO 80 13.207 -0.579 1.815 679 HD2 PRO 80 HD2 PRO 80 11.079 0.772 3.387 680 HD3 PRO 80 HD3 PRO 80 11.734 -0.869 3.550 681 H GLU 81 H GLU 81 15.776 1.505 5.722 682 HA GLU 81 HA GLU 81 15.138 4.050 6.631 683 HB2 GLU 81 HB2 GLU 81 16.513 2.458 7.894 684 HB3 GLU 81 HB3 GLU 81 17.816 2.654 6.731 685 HG2 GLU 81 HG2 GLU 81 17.529 5.200 7.408 686 HG3 GLU 81 HG3 GLU 81 16.897 4.469 8.882 687 H SER 82 H SER 82 17.148 3.062 3.958 688 HA SER 82 HA SER 82 18.595 5.434 3.567 689 HB2 SER 82 HB2 SER 82 18.612 3.016 2.366 690 HB3 SER 82 HB3 SER 82 17.736 3.945 1.149 691 HG SER 82 HG SER 82 19.471 5.367 1.037 692 H LEU 83 H LEU 83 15.371 4.462 2.546 693 HA LEU 83 HA LEU 83 14.958 6.821 0.944 694 HB2 LEU 83 HB2 LEU 83 13.078 4.659 1.891 695 HB3 LEU 83 HB3 LEU 83 12.594 5.982 0.847 696 HG LEU 83 HG LEU 83 14.815 4.114 0.068 697 HD11 LEU 83 HD11 LEU 83 11.902 3.633 0.087 698 HD12 LEU 83 HD12 LEU 83 13.244 2.491 0.157 699 HD13 LEU 83 HD13 LEU 83 12.765 3.198 -1.387 700 HD21 LEU 83 HD21 LEU 83 14.509 4.949 -2.086 701 HD22 LEU 83 HD22 LEU 83 14.338 6.374 -1.061 702 HD23 LEU 83 HD23 LEU 83 12.905 5.581 -1.716 703 H SER 84 H SER 84 14.423 5.856 4.236 704 HA SER 84 HA SER 84 12.407 7.588 5.026 705 HB2 SER 84 HB2 SER 84 14.840 6.731 6.612 706 HB3 SER 84 HB3 SER 84 13.363 7.413 7.293 707 HG SER 84 HG SER 84 13.568 4.989 5.827 708 H ARG 85 H ARG 85 15.771 8.233 4.352 709 HA ARG 85 HA ARG 85 16.039 10.712 5.625 710 HB2 ARG 85 HB2 ARG 85 17.652 9.097 4.068 711 HB3 ARG 85 HB3 ARG 85 17.445 10.528 3.066 712 HG2 ARG 85 HG2 ARG 85 18.510 11.904 4.574 713 HG3 ARG 85 HG3 ARG 85 18.186 10.834 5.939 714 HD2 ARG 85 HD2 ARG 85 19.916 9.399 5.392 715 HD3 ARG 85 HD3 ARG 85 19.934 9.902 3.703 716 HE ARG 85 HE ARG 85 21.449 11.506 4.261 717 HH11 ARG 85 HH11 ARG 85 19.744 10.564 7.157 718 HH12 ARG 85 HH12 ARG 85 20.717 11.545 8.198 719 HH21 ARG 85 HH21 ARG 85 22.731 12.797 5.633 720 HH22 ARG 85 HH22 ARG 85 22.413 12.815 7.334 721 H LYS 86 H LYS 86 14.871 9.882 2.389 722 HA LYS 86 HA LYS 86 14.436 12.627 1.647 723 HB2 LYS 86 HB2 LYS 86 13.204 10.249 0.274 724 HB3 LYS 86 HB3 LYS 86 13.657 11.800 -0.418 725 HG2 LYS 86 HG2 LYS 86 16.002 10.638 0.651 726 HG3 LYS 86 HG3 LYS 86 15.167 9.394 -0.280 727 HD2 LYS 86 HD2 LYS 86 16.269 10.332 -2.013 728 HD3 LYS 86 HD3 LYS 86 14.937 11.488 -1.965 729 HE2 LYS 86 HE2 LYS 86 16.240 13.155 -1.183 730 HE3 LYS 86 HE3 LYS 86 17.181 12.074 -0.155 731 HZ1 LYS 86 HZ1 LYS 86 18.143 13.216 -2.349 732 HZ2 LYS 86 HZ2 LYS 86 17.577 11.768 -3.016 733 HZ3 LYS 86 HZ3 LYS 86 18.705 11.736 -1.756 734 H ILE 87 H ILE 87 12.452 9.939 2.789 735 HA ILE 87 HA ILE 87 9.943 11.180 2.464 736 HB ILE 87 HB ILE 87 10.699 9.127 4.548 737 HG12 ILE 87 HG12 ILE 87 9.422 8.478 1.915 738 HG13 ILE 87 HG13 ILE 87 11.170 8.664 2.013 739 HG21 ILE 87 HG21 ILE 87 8.324 8.514 4.449 740 HG22 ILE 87 HG22 ILE 87 8.036 9.844 3.327 741 HG23 ILE 87 HG23 ILE 87 8.554 10.180 4.980 742 HD11 ILE 87 HD11 ILE 87 10.003 6.917 4.055 743 HD12 ILE 87 HD12 ILE 87 11.439 6.703 3.054 744 HD13 ILE 87 HD13 ILE 87 9.843 6.344 2.396 745 H GLY 88 H GLY 88 12.370 11.348 4.980 746 HA2 GLY 88 HA2 GLY 88 10.861 12.454 7.053 747 HA3 GLY 88 HA3 GLY 88 12.581 12.714 6.811 748 H THR 89 H THR 89 12.625 14.106 4.443 749 HA THR 89 HA THR 89 12.069 16.720 5.286 750 HB THR 89 HB THR 89 13.778 16.078 3.580 751 HG1 THR 89 HG1 THR 89 11.874 18.060 2.903 752 HG21 THR 89 HG21 THR 89 13.203 14.908 1.799 753 HG22 THR 89 HG22 THR 89 12.342 16.328 1.207 754 HG23 THR 89 HG23 THR 89 11.486 15.109 2.150 755 H VAL 90 H VAL 90 10.168 14.407 3.501 756 HA VAL 90 HA VAL 90 8.202 16.329 2.636 757 HB VAL 90 HB VAL 90 7.910 13.325 2.704 758 HG11 VAL 90 HG11 VAL 90 6.683 15.082 0.644 759 HG12 VAL 90 HG12 VAL 90 5.970 15.062 2.257 760 HG13 VAL 90 HG13 VAL 90 6.100 13.566 1.332 761 HG21 VAL 90 HG21 VAL 90 9.969 13.966 1.518 762 HG22 VAL 90 HG22 VAL 90 9.024 15.029 0.477 763 HG23 VAL 90 HG23 VAL 90 8.759 13.286 0.431 764 H VAL 91 H VAL 91 8.560 14.011 5.258 765 HA VAL 91 HA VAL 91 5.946 14.006 6.233 766 HB VAL 91 HB VAL 91 8.455 13.832 7.907 767 HG11 VAL 91 HG11 VAL 91 6.549 14.067 9.308 768 HG12 VAL 91 HG12 VAL 91 6.987 12.359 9.318 769 HG13 VAL 91 HG13 VAL 91 5.622 12.914 8.349 770 HG21 VAL 91 HG21 VAL 91 7.497 11.262 7.430 771 HG22 VAL 91 HG22 VAL 91 8.953 11.994 6.757 772 HG23 VAL 91 HG23 VAL 91 7.436 12.065 5.860 773 H ARG 92 H ARG 92 8.596 16.265 6.774 774 HA ARG 92 HA ARG 92 7.640 17.731 8.902 775 HB2 ARG 92 HB2 ARG 92 9.767 17.957 7.235 776 HB3 ARG 92 HB3 ARG 92 8.803 19.330 6.707 777 HG2 ARG 92 HG2 ARG 92 9.241 20.504 8.559 778 HG3 ARG 92 HG3 ARG 92 9.051 19.099 9.611 779 HD2 ARG 92 HD2 ARG 92 11.254 18.617 9.580 780 HD3 ARG 92 HD3 ARG 92 11.434 19.068 7.886 781 HE ARG 92 HE ARG 92 11.090 21.448 9.116 782 HH11 ARG 92 HH11 ARG 92 13.244 18.764 9.693 783 HH12 ARG 92 HH12 ARG 92 14.508 19.757 10.338 784 HH21 ARG 92 HH21 ARG 92 12.751 22.754 9.964 785 HH22 ARG 92 HH22 ARG 92 14.229 22.022 10.492 786 H VAL 93 H VAL 93 6.482 17.646 5.632 787 HA VAL 93 HA VAL 93 4.942 20.070 5.834 788 HB VAL 93 HB VAL 93 4.679 17.866 3.785 789 HG11 VAL 93 HG11 VAL 93 4.057 20.769 3.379 790 HG12 VAL 93 HG12 VAL 93 2.867 19.678 4.086 791 HG13 VAL 93 HG13 VAL 93 3.493 19.372 2.466 792 HG21 VAL 93 HG21 VAL 93 6.371 20.360 3.641 793 HG22 VAL 93 HG22 VAL 93 6.207 19.123 2.396 794 HG23 VAL 93 HG23 VAL 93 6.989 18.732 3.928 795 H LEU 94 H LEU 94 4.252 16.586 5.901 796 HA LEU 94 HA LEU 94 1.653 17.209 7.133 797 HB2 LEU 94 HB2 LEU 94 2.313 15.441 4.850 798 HB3 LEU 94 HB3 LEU 94 1.111 14.861 5.986 799 HG LEU 94 HG LEU 94 0.166 16.039 4.009 800 HD11 LEU 94 HD11 LEU 94 -0.588 16.181 6.674 801 HD12 LEU 94 HD12 LEU 94 -1.595 16.536 5.271 802 HD13 LEU 94 HD13 LEU 94 -0.729 17.838 6.088 803 HD21 LEU 94 HD21 LEU 94 2.141 17.800 4.229 804 HD22 LEU 94 HD22 LEU 94 0.926 18.653 5.180 805 HD23 LEU 94 HD23 LEU 94 0.588 18.216 3.506 806 HA PRO 95 HA PRO 95 4.187 14.403 9.886 807 HB2 PRO 95 HB2 PRO 95 3.161 16.200 11.976 808 HB3 PRO 95 HB3 PRO 95 4.822 15.702 11.647 809 HG2 PRO 95 HG2 PRO 95 3.964 18.200 11.147 810 HG3 PRO 95 HG3 PRO 95 5.171 17.398 10.126 811 HD2 PRO 95 HD2 PRO 95 2.244 17.804 9.641 812 HD3 PRO 95 HD3 PRO 95 3.605 17.937 8.508 813 H SER 96 H SER 96 0.958 15.635 9.762 814 HA SER 96 HA SER 96 -0.048 13.678 11.669 815 HB2 SER 96 HB2 SER 96 -1.551 15.750 10.051 816 HB3 SER 96 HB3 SER 96 -2.208 14.781 11.371 817 HG SER 96 HG SER 96 -1.423 17.016 11.839 818 H SER 97 H SER 97 -0.218 14.414 8.203 819 HA SER 97 HA SER 97 -2.103 12.489 7.468 820 HB2 SER 97 HB2 SER 97 -1.002 14.340 6.033 821 HB3 SER 97 HB3 SER 97 0.258 13.146 5.724 822 HG SER 97 HG SER 97 -1.081 12.606 4.176 823 H LEU 98 H LEU 98 1.419 12.221 7.789 824 HA LEU 98 HA LEU 98 1.790 9.658 6.824 825 HB2 LEU 98 HB2 LEU 98 3.410 11.492 7.931 826 HB3 LEU 98 HB3 LEU 98 3.287 10.375 9.277 827 HG LEU 98 HG LEU 98 4.386 9.837 6.527 828 HD11 LEU 98 HD11 LEU 98 5.708 10.858 8.537 829 HD12 LEU 98 HD12 LEU 98 6.427 9.590 7.546 830 HD13 LEU 98 HD13 LEU 98 5.721 9.192 9.112 831 HD21 LEU 98 HD21 LEU 98 4.668 7.510 7.196 832 HD22 LEU 98 HD22 LEU 98 2.961 7.955 7.165 833 HD23 LEU 98 HD23 LEU 98 3.811 7.832 8.705 834 H GLU 99 H GLU 99 0.434 10.690 9.869 835 HA GLU 99 HA GLU 99 0.634 8.306 11.317 836 HB2 GLU 99 HB2 GLU 99 -0.344 10.778 11.847 837 HB3 GLU 99 HB3 GLU 99 -1.843 9.875 11.684 838 HG2 GLU 99 HG2 GLU 99 -0.420 8.219 13.283 839 HG3 GLU 99 HG3 GLU 99 0.198 9.791 13.788 840 H ILE 100 H ILE 100 -1.777 9.402 8.985 841 HA ILE 100 HA ILE 100 -3.550 7.208 9.361 842 HB ILE 100 HB ILE 100 -3.302 8.948 6.906 843 HG12 ILE 100 HG12 ILE 100 -5.293 9.452 9.084 844 HG13 ILE 100 HG13 ILE 100 -3.645 10.042 9.282 845 HG21 ILE 100 HG21 ILE 100 -5.909 7.912 7.797 846 HG22 ILE 100 HG22 ILE 100 -4.772 6.706 7.197 847 HG23 ILE 100 HG23 ILE 100 -5.240 8.063 6.172 848 HD11 ILE 100 HD11 ILE 100 -5.334 11.650 8.309 849 HD12 ILE 100 HD12 ILE 100 -5.285 10.661 6.850 850 HD13 ILE 100 HD13 ILE 100 -3.821 11.460 7.424 851 H PHE 101 H PHE 101 -0.821 7.831 7.237 852 HA PHE 101 HA PHE 101 -1.245 5.507 5.612 853 HB2 PHE 101 HB2 PHE 101 1.261 7.173 5.920 854 HB3 PHE 101 HB3 PHE 101 0.906 6.048 4.613 855 HD1 PHE 101 HD1 PHE 101 -1.878 6.715 3.981 856 HD2 PHE 101 HD2 PHE 101 1.412 9.249 4.913 857 HE1 PHE 101 HE1 PHE 101 -2.923 8.536 2.698 858 HE2 PHE 101 HE2 PHE 101 0.373 11.076 3.634 859 HZ PHE 101 HZ PHE 101 -1.797 10.720 2.524 860 H GLU 102 H GLU 102 0.503 6.239 8.540 861 HA GLU 102 HA GLU 102 2.298 4.099 8.597 862 HB2 GLU 102 HB2 GLU 102 2.302 6.030 10.174 863 HB3 GLU 102 HB3 GLU 102 0.886 5.346 10.963 864 HG2 GLU 102 HG2 GLU 102 2.274 3.284 11.392 865 HG3 GLU 102 HG3 GLU 102 3.668 4.221 10.859 866 H GLU 103 H GLU 103 -1.075 4.302 9.648 867 HA GLU 103 HA GLU 103 -1.111 1.579 10.590 868 HB2 GLU 103 HB2 GLU 103 -2.549 3.598 11.391 869 HB3 GLU 103 HB3 GLU 103 -3.574 3.196 10.022 870 HG2 GLU 103 HG2 GLU 103 -2.809 1.060 11.951 871 HG3 GLU 103 HG3 GLU 103 -4.065 2.218 12.386 872 H LEU 104 H LEU 104 -1.716 3.231 7.616 873 HA LEU 104 HA LEU 104 -3.414 1.324 6.396 874 HB2 LEU 104 HB2 LEU 104 -2.649 3.797 5.733 875 HB3 LEU 104 HB3 LEU 104 -1.527 2.897 4.730 876 HG LEU 104 HG LEU 104 -4.539 2.719 4.641 877 HD11 LEU 104 HD11 LEU 104 -2.973 3.480 2.272 878 HD12 LEU 104 HD12 LEU 104 -2.990 4.660 3.584 879 HD13 LEU 104 HD13 LEU 104 -4.506 4.108 2.872 880 HD21 LEU 104 HD21 LEU 104 -2.481 1.292 2.961 881 HD22 LEU 104 HD22 LEU 104 -4.231 1.211 2.762 882 HD23 LEU 104 HD23 LEU 104 -3.477 0.547 4.212 883 H TYR 105 H TYR 105 0.106 1.841 6.180 884 HA TYR 105 HA TYR 105 0.602 -0.336 4.465 885 HB2 TYR 105 HB2 TYR 105 2.815 0.218 4.648 886 HB3 TYR 105 HB3 TYR 105 2.110 1.709 5.260 887 HD1 TYR 105 HD1 TYR 105 3.677 -1.487 6.288 888 HD2 TYR 105 HD2 TYR 105 2.548 2.442 7.465 889 HE1 TYR 105 HE1 TYR 105 4.962 -1.748 8.368 890 HE2 TYR 105 HE2 TYR 105 3.831 2.194 9.547 891 HH TYR 105 HH TYR 105 4.705 -0.492 10.859 892 H LYS 106 H LYS 106 0.336 -0.088 7.947 893 HA LYS 106 HA LYS 106 1.308 -2.757 8.425 894 HB2 LYS 106 HB2 LYS 106 0.471 -0.461 10.035 895 HB3 LYS 106 HB3 LYS 106 -0.043 -2.001 10.710 896 HG2 LYS 106 HG2 LYS 106 2.779 -1.693 9.819 897 HG3 LYS 106 HG3 LYS 106 2.270 -0.957 11.340 898 HD2 LYS 106 HD2 LYS 106 1.745 -3.013 12.301 899 HD3 LYS 106 HD3 LYS 106 1.640 -3.824 10.736 900 HE2 LYS 106 HE2 LYS 106 4.260 -2.648 11.379 901 HE3 LYS 106 HE3 LYS 106 3.766 -3.993 12.405 902 HZ1 LYS 106 HZ1 LYS 106 4.014 -5.453 10.746 903 HZ2 LYS 106 HZ2 LYS 106 4.975 -4.260 10.027 904 HZ3 LYS 106 HZ3 LYS 106 3.353 -4.422 9.578 905 H TYR 107 H TYR 107 -1.772 -1.205 7.922 906 HA TYR 107 HA TYR 107 -3.495 -3.131 8.971 907 HB2 TYR 107 HB2 TYR 107 -4.349 -0.988 8.286 908 HB3 TYR 107 HB3 TYR 107 -3.835 -1.254 6.624 909 HD1 TYR 107 HD1 TYR 107 -4.976 -3.085 5.292 910 HD2 TYR 107 HD2 TYR 107 -6.479 -1.673 9.013 911 HE1 TYR 107 HE1 TYR 107 -7.179 -4.033 4.753 912 HE2 TYR 107 HE2 TYR 107 -8.688 -2.618 8.485 913 HH TYR 107 HH TYR 107 -9.589 -3.593 5.429 914 H ALA 108 H ALA 108 -2.211 -2.827 5.662 915 HA ALA 108 HA ALA 108 -3.461 -5.115 4.620 916 HB1 ALA 108 HB1 ALA 108 -1.212 -3.372 3.800 917 HB2 ALA 108 HB2 ALA 108 -2.669 -3.834 2.922 918 HB3 ALA 108 HB3 ALA 108 -1.318 -4.960 3.044 919 H LEU 109 H LEU 109 -0.493 -4.689 6.426 920 HA LEU 109 HA LEU 109 0.443 -7.370 5.945 921 HB2 LEU 109 HB2 LEU 109 1.356 -5.308 7.953 922 HB3 LEU 109 HB3 LEU 109 2.184 -6.811 7.594 923 HG LEU 109 HG LEU 109 1.684 -4.779 5.441 924 HD11 LEU 109 HD11 LEU 109 3.740 -4.741 7.601 925 HD12 LEU 109 HD12 LEU 109 2.854 -3.405 6.864 926 HD13 LEU 109 HD13 LEU 109 4.168 -4.184 5.983 927 HD21 LEU 109 HD21 LEU 109 4.107 -6.456 5.550 928 HD22 LEU 109 HD22 LEU 109 3.083 -6.025 4.181 929 HD23 LEU 109 HD23 LEU 109 2.586 -7.307 5.285 930 H ASN 110 H ASN 110 -1.466 -5.728 8.356 931 HA ASN 110 HA ASN 110 -1.280 -7.834 10.302 932 HB2 ASN 110 HB2 ASN 110 -2.514 -5.185 10.122 933 HB3 ASN 110 HB3 ASN 110 -3.500 -6.354 10.997 934 HD21 ASN 110 HD21 ASN 110 -1.627 -3.961 11.634 935 HD22 ASN 110 HD22 ASN 110 -0.732 -4.535 12.996 936 H GLU 111 H GLU 111 -3.588 -6.847 7.833 937 HA GLU 111 HA GLU 111 -5.713 -8.520 8.532 938 HB2 GLU 111 HB2 GLU 111 -6.492 -8.239 6.247 939 HB3 GLU 111 HB3 GLU 111 -5.880 -6.712 6.866 940 HG2 GLU 111 HG2 GLU 111 -3.998 -6.773 5.520 941 HG3 GLU 111 HG3 GLU 111 -4.116 -8.513 5.261 942 H ASN 112 H ASN 112 -2.714 -9.202 6.893 943 HA ASN 112 HA ASN 112 -3.370 -11.617 5.650 944 HB2 ASN 112 HB2 ASN 112 -1.185 -10.175 5.570 945 HB3 ASN 112 HB3 ASN 112 -0.675 -11.208 6.901 946 HD21 ASN 112 HD21 ASN 112 0.685 -11.156 4.519 947 HD22 ASN 112 HD22 ASN 112 0.482 -12.668 3.708 948 H SER 113 H SER 113 -2.556 -10.882 8.978 949 HA SER 113 HA SER 113 -2.607 -12.116 10.886 950 HB2 SER 113 HB2 SER 113 -4.871 -12.803 9.467 951 HB3 SER 113 HB3 SER 113 -4.149 -14.372 9.828 952 HG SER 113 HG SER 113 -3.987 -13.496 12.062 953 H ASN 114 H ASN 114 -0.578 -12.836 11.225 954 HA ASN 114 HA ASN 114 0.098 -15.485 10.129 955 HB2 ASN 114 HB2 ASN 114 1.702 -12.974 10.182 956 HB3 ASN 114 HB3 ASN 114 2.552 -14.492 10.455 957 HD21 ASN 114 HD21 ASN 114 3.635 -14.736 8.605 958 HD22 ASN 114 HD22 ASN 114 2.912 -14.825 7.039 959 H ASP 115 H ASP 115 -1.178 -14.927 12.622 960 HA ASP 115 HA ASP 115 0.936 -15.387 14.598 961 HB2 ASP 115 HB2 ASP 115 -1.975 -14.637 14.859 962 HB3 ASP 115 HB3 ASP 115 -0.992 -15.114 16.242 963 H ARG 116 H ARG 116 1.373 -17.375 15.266 964 HA ARG 116 HA ARG 116 -0.720 -19.343 15.583 965 HB2 ARG 116 HB2 ARG 116 1.529 -19.745 13.606 966 HB3 ARG 116 HB3 ARG 116 0.511 -21.045 14.210 967 HG2 ARG 116 HG2 ARG 116 -1.429 -19.509 13.350 968 HG3 ARG 116 HG3 ARG 116 -0.152 -18.828 12.341 969 HD2 ARG 116 HD2 ARG 116 -0.997 -21.720 12.475 970 HD3 ARG 116 HD3 ARG 116 -1.297 -20.598 11.149 971 HE ARG 116 HE ARG 116 1.488 -20.914 11.770 972 HH11 ARG 116 HH11 ARG 116 -1.199 -22.231 9.975 973 HH12 ARG 116 HH12 ARG 116 -0.194 -23.002 8.795 974 HH21 ARG 116 HH21 ARG 116 2.812 -21.929 10.220 975 HH22 ARG 116 HH22 ARG 116 2.084 -22.833 8.934 976 H SER 117 H SER 117 0.427 -21.538 16.242 977 HA SER 117 HA SER 117 2.364 -20.806 18.323 978 HB2 SER 117 HB2 SER 117 0.054 -22.047 18.716 979 HB3 SER 117 HB3 SER 117 1.004 -23.468 18.282 980 HG SER 117 HG SER 117 1.831 -21.613 20.255 981 H GLU 118 H GLU 118 4.378 -21.602 18.335 982 HA GLU 118 HA GLU 118 5.099 -23.491 16.203 983 HB2 GLU 118 HB2 GLU 118 6.171 -21.070 16.662 984 HB3 GLU 118 HB3 GLU 118 7.209 -22.036 17.701 985 HG2 GLU 118 HG2 GLU 118 8.162 -23.151 15.954 986 HG3 GLU 118 HG3 GLU 118 6.750 -22.963 14.917 987 H HIS 119 H HIS 119 4.748 -25.458 17.155 988 HA HIS 119 HA HIS 119 5.522 -26.083 19.819 989 HB2 HIS 119 HB2 HIS 119 4.889 -27.908 17.489 990 HB3 HIS 119 HB3 HIS 119 5.048 -28.425 19.165 991 HD1 HIS 119 HD1 HIS 119 3.252 -27.205 20.847 992 HD2 HIS 119 HD2 HIS 119 2.361 -27.232 16.788 993 HE1 HIS 119 HE1 HIS 119 0.785 -26.742 20.697 994 HE2 HIS 119 HE2 HIS 119 0.288 -26.670 18.228 995 H HIS 120 H HIS 120 7.448 -26.628 20.600 996 HA HIS 120 HA HIS 120 9.649 -27.051 18.721 997 HB2 HIS 120 HB2 HIS 120 11.060 -26.782 20.818 998 HB3 HIS 120 HB3 HIS 120 10.150 -25.362 20.312 999 HD1 HIS 120 HD1 HIS 120 9.730 -28.255 22.752 1000 HD2 HIS 120 HD2 HIS 120 8.726 -24.247 22.323 1001 HE1 HIS 120 HE1 HIS 120 8.590 -27.613 24.901 1002 HE2 HIS 120 HE2 HIS 120 7.917 -25.207 24.584 1003 H LYS 121 H LYS 121 10.456 -29.002 18.351 1004 HA LYS 121 HA LYS 121 9.701 -31.197 20.149 1005 HB2 LYS 121 HB2 LYS 121 10.463 -31.090 17.245 1006 HB3 LYS 121 HB3 LYS 121 10.543 -32.599 18.142 1007 HG2 LYS 121 HG2 LYS 121 8.239 -32.673 18.464 1008 HG3 LYS 121 HG3 LYS 121 8.040 -30.956 18.104 1009 HD2 LYS 121 HD2 LYS 121 9.111 -31.831 15.779 1010 HD3 LYS 121 HD3 LYS 121 8.222 -33.268 16.286 1011 HE2 LYS 121 HE2 LYS 121 6.199 -31.877 16.557 1012 HE3 LYS 121 HE3 LYS 121 7.103 -30.487 15.956 1013 HZ1 LYS 121 HZ1 LYS 121 6.235 -31.158 14.007 1014 HZ2 LYS 121 HZ2 LYS 121 6.015 -32.758 14.510 1015 HZ3 LYS 121 HZ3 LYS 121 7.541 -32.233 14.004 1016 H LYS 122 H LYS 122 11.484 -33.079 19.841 1017 HA LYS 122 HA LYS 122 14.119 -31.862 20.337 1018 HB2 LYS 122 HB2 LYS 122 13.058 -34.240 21.859 1019 HB3 LYS 122 HB3 LYS 122 14.515 -33.314 22.191 1020 HG2 LYS 122 HG2 LYS 122 12.654 -31.371 22.379 1021 HG3 LYS 122 HG3 LYS 122 11.717 -32.769 22.909 1022 HD2 LYS 122 HD2 LYS 122 12.648 -31.973 24.887 1023 HD3 LYS 122 HD3 LYS 122 13.745 -33.274 24.423 1024 HE2 LYS 122 HE2 LYS 122 14.342 -30.540 23.431 1025 HE3 LYS 122 HE3 LYS 122 14.618 -30.869 25.141 1026 HZ1 LYS 122 HZ1 LYS 122 15.789 -32.985 24.080 1027 HZ2 LYS 122 HZ2 LYS 122 16.609 -31.528 24.343 1028 HZ3 LYS 122 HZ3 LYS 122 16.015 -31.899 22.804 1029 HA PRO 123 HA PRO 123 15.495 -34.851 17.375 1030 HB2 PRO 123 HB2 PRO 123 18.150 -34.784 17.849 1031 HB3 PRO 123 HB3 PRO 123 17.296 -33.440 17.078 1032 HG2 PRO 123 HG2 PRO 123 18.157 -33.751 19.929 1033 HG3 PRO 123 HG3 PRO 123 18.267 -32.330 18.876 1034 HD2 PRO 123 HD2 PRO 123 16.307 -32.656 20.738 1035 HD3 PRO 123 HD3 PRO 123 16.077 -31.737 19.237 1036 H ARG 124 H ARG 124 17.281 -36.719 17.381 1037 HA ARG 124 HA ARG 124 17.513 -38.158 19.855 1038 HB2 ARG 124 HB2 ARG 124 15.128 -38.537 18.653 1039 HB3 ARG 124 HB3 ARG 124 16.073 -39.765 17.822 1040 HG2 ARG 124 HG2 ARG 124 16.592 -40.864 19.863 1041 HG3 ARG 124 HG3 ARG 124 15.942 -39.530 20.817 1042 HD2 ARG 124 HD2 ARG 124 13.800 -40.186 19.274 1043 HD3 ARG 124 HD3 ARG 124 14.564 -41.760 19.494 1044 HE ARG 124 HE ARG 124 14.266 -40.266 21.932 1045 HH11 ARG 124 HH11 ARG 124 12.717 -42.482 19.724 1046 HH12 ARG 124 HH12 ARG 124 11.631 -43.110 20.920 1047 HH21 ARG 124 HH21 ARG 124 12.839 -41.090 23.504 1048 HH22 ARG 124 HH22 ARG 124 11.701 -42.319 23.066 1049 H ILE 125 H ILE 125 19.603 -37.390 18.555 1050 HA ILE 125 HA ILE 125 20.466 -39.619 16.841 1051 HB ILE 125 HB ILE 125 22.422 -37.850 16.440 1052 HG12 ILE 125 HG12 ILE 125 20.011 -36.065 16.769 1053 HG13 ILE 125 HG13 ILE 125 21.263 -36.215 17.998 1054 HG21 ILE 125 HG21 ILE 125 20.500 -38.938 14.935 1055 HG22 ILE 125 HG22 ILE 125 21.609 -37.703 14.337 1056 HG23 ILE 125 HG23 ILE 125 19.992 -37.251 14.876 1057 HD11 ILE 125 HD11 ILE 125 21.943 -35.462 15.184 1058 HD12 ILE 125 HD12 ILE 125 22.862 -35.187 16.664 1059 HD13 ILE 125 HD13 ILE 125 21.393 -34.262 16.354 1060 H ASP 126 H ASP 126 22.409 -40.660 17.249 1061 HA ASP 126 HA ASP 126 23.441 -40.290 19.972 1062 HB2 ASP 126 HB2 ASP 126 22.525 -42.549 19.050 1063 HB3 ASP 126 HB3 ASP 126 24.083 -42.655 18.236 1064 H ASP 127 H ASP 127 24.608 -40.990 16.679 1065 HA ASP 127 HA ASP 127 26.555 -40.493 15.616 1066 HB2 ASP 127 HB2 ASP 127 25.773 -38.175 16.823 1067 HB3 ASP 127 HB3 ASP 127 27.387 -38.380 17.497 1068 H SER 128 H SER 128 28.968 -40.369 15.898 1069 HA SER 128 HA SER 128 30.063 -41.200 18.421 1070 HB2 SER 128 HB2 SER 128 29.010 -43.273 17.142 1071 HB3 SER 128 HB3 SER 128 30.529 -43.197 16.248 1072 HG SER 128 HG SER 128 30.043 -43.950 18.854 1073 H SER 129 H SER 129 30.681 -41.265 14.911 1074 HA SER 129 HA SER 129 33.380 -40.226 15.435 1075 HB2 SER 129 HB2 SER 129 33.878 -40.954 13.103 1076 HB3 SER 129 HB3 SER 129 33.375 -42.283 14.147 1077 HG SER 129 HG SER 129 31.585 -40.876 12.462 1078 H ASP 130 H ASP 130 34.096 -38.975 13.233 1079 HA ASP 130 HA ASP 130 32.053 -37.173 12.279 1080 HB2 ASP 130 HB2 ASP 130 33.266 -35.131 13.058 1081 HB3 ASP 130 HB3 ASP 130 32.550 -36.069 14.363 1082 H LEU 131 H LEU 131 32.532 -37.590 10.186 1083 HA LEU 131 HA LEU 131 35.298 -37.527 9.283 1084 HB2 LEU 131 HB2 LEU 131 32.689 -38.221 7.956 1085 HB3 LEU 131 HB3 LEU 131 34.170 -38.035 7.036 1086 HG LEU 131 HG LEU 131 35.059 -39.781 8.849 1087 HD11 LEU 131 HD11 LEU 131 33.521 -41.092 9.844 1088 HD12 LEU 131 HD12 LEU 131 32.384 -40.968 8.502 1089 HD13 LEU 131 HD13 LEU 131 32.507 -39.659 9.679 1090 HD21 LEU 131 HD21 LEU 131 33.429 -40.494 6.414 1091 HD22 LEU 131 HD22 LEU 131 34.594 -41.545 7.218 1092 HD23 LEU 131 HD23 LEU 131 35.139 -40.065 6.430 1093 H LEU 132 H LEU 132 35.965 -35.421 9.333 1094 HA LEU 132 HA LEU 132 34.501 -33.554 7.583 1095 HB2 LEU 132 HB2 LEU 132 35.352 -33.269 10.334 1096 HB3 LEU 132 HB3 LEU 132 36.070 -32.024 9.328 1097 HG LEU 132 HG LEU 132 33.177 -32.443 8.925 1098 HD11 LEU 132 HD11 LEU 132 34.329 -31.831 11.574 1099 HD12 LEU 132 HD12 LEU 132 32.776 -32.550 11.146 1100 HD13 LEU 132 HD13 LEU 132 33.001 -30.804 11.035 1101 HD21 LEU 132 HD21 LEU 132 33.348 -29.887 9.152 1102 HD22 LEU 132 HD22 LEU 132 34.092 -30.655 7.749 1103 HD23 LEU 132 HD23 LEU 132 35.092 -30.146 9.109 1104 H LYS 133 H LYS 133 35.621 -32.662 5.963 1105 HA LYS 133 HA LYS 133 38.538 -32.593 6.078 1106 HB2 LYS 133 HB2 LYS 133 36.937 -33.985 3.930 1107 HB3 LYS 133 HB3 LYS 133 38.614 -33.503 3.715 1108 HG2 LYS 133 HG2 LYS 133 38.920 -35.653 4.374 1109 HG3 LYS 133 HG3 LYS 133 38.928 -34.865 5.953 1110 HD2 LYS 133 HD2 LYS 133 36.320 -35.305 5.768 1111 HD3 LYS 133 HD3 LYS 133 36.865 -36.598 4.699 1112 HE2 LYS 133 HE2 LYS 133 38.421 -36.462 7.146 1113 HE3 LYS 133 HE3 LYS 133 36.703 -36.696 7.463 1114 HZ1 LYS 133 HZ1 LYS 133 38.055 -38.770 7.157 1115 HZ2 LYS 133 HZ2 LYS 133 38.215 -38.352 5.526 1116 HZ3 LYS 133 HZ3 LYS 133 36.682 -38.653 6.176 1117 H THR 134 H THR 134 35.997 -32.087 3.625 1118 HA THR 134 HA THR 134 36.304 -29.246 3.666 1119 HB THR 134 HB THR 134 38.318 -29.678 2.439 1120 HG1 THR 134 HG1 THR 134 36.298 -29.033 0.558 1121 HG21 THR 134 HG21 THR 134 38.648 -31.206 0.824 1122 HG22 THR 134 HG22 THR 134 37.021 -31.027 0.166 1123 HG23 THR 134 HG23 THR 134 37.287 -32.004 1.611 1124 H ASP 135 H ASP 135 35.288 -32.036 1.720 1125 HA ASP 135 HA ASP 135 32.980 -30.534 0.744 1126 HB2 ASP 135 HB2 ASP 135 34.448 -32.949 -0.120 1127 HB3 ASP 135 HB3 ASP 135 32.705 -33.000 -0.361 1128 H GLU 136 H GLU 136 31.928 -30.421 2.814 1129 HA GLU 136 HA GLU 136 31.223 -32.617 4.385 1130 HB2 GLU 136 HB2 GLU 136 29.388 -31.151 5.241 1131 HB3 GLU 136 HB3 GLU 136 30.977 -30.402 5.264 1132 HG2 GLU 136 HG2 GLU 136 30.168 -29.530 2.888 1133 HG3 GLU 136 HG3 GLU 136 28.591 -29.747 3.645 1134 H ILE 137 H ILE 137 29.361 -31.007 1.813 1135 HA ILE 137 HA ILE 137 27.843 -33.506 1.477 1136 HB ILE 137 HB ILE 137 26.633 -30.744 1.295 1137 HG12 ILE 137 HG12 ILE 137 25.443 -32.382 3.321 1138 HG13 ILE 137 HG13 ILE 137 27.182 -32.332 3.591 1139 HG21 ILE 137 HG21 ILE 137 25.410 -32.082 -0.155 1140 HG22 ILE 137 HG22 ILE 137 24.502 -32.200 1.353 1141 HG23 ILE 137 HG23 ILE 137 25.575 -33.511 0.866 1142 HD11 ILE 137 HD11 ILE 137 26.881 -30.390 4.602 1143 HD12 ILE 137 HD12 ILE 137 25.193 -30.326 4.094 1144 HD13 ILE 137 HD13 ILE 137 26.457 -29.702 3.035 Start of MODEL 10 1 H1 GLY -2 H1 GLY -2 2.842 10.364 -22.016 2 H2 GLY -2 H2 GLY -2 1.496 10.285 -23.036 3 H3 GLY -2 H3 GLY -2 2.865 9.352 -23.372 4 HA2 GLY -2 HA2 GLY -2 1.753 7.709 -22.365 5 HA3 GLY -2 HA3 GLY -2 2.317 8.506 -20.905 6 H HIS -1 H HIS -1 -0.130 6.918 -21.462 7 HA HIS -1 HA HIS -1 -2.003 8.776 -20.238 8 HB2 HIS -1 HB2 HIS -1 -3.824 8.125 -21.804 9 HB3 HIS -1 HB3 HIS -1 -2.540 9.044 -22.580 10 HD1 HIS -1 HD1 HIS -1 -0.647 7.343 -23.758 11 HD2 HIS -1 HD2 HIS -1 -4.521 5.938 -23.220 12 HE1 HIS -1 HE1 HIS -1 -0.888 5.409 -25.346 13 HE2 HIS -1 HE2 HIS -1 -3.212 4.521 -24.942 14 H MET 0 H MET 0 -1.495 7.373 -18.437 15 HA MET 0 HA MET 0 -3.327 5.130 -18.309 16 HB2 MET 0 HB2 MET 0 -0.965 4.362 -19.103 17 HB3 MET 0 HB3 MET 0 -0.510 4.611 -17.423 18 HG2 MET 0 HG2 MET 0 -1.780 2.866 -16.672 19 HG3 MET 0 HG3 MET 0 -2.914 2.969 -18.016 20 HE1 MET 0 HE1 MET 0 1.345 1.948 -18.962 21 HE2 MET 0 HE2 MET 0 1.012 1.348 -17.336 22 HE3 MET 0 HE3 MET 0 0.758 3.052 -17.718 23 H MET 1 H MET 1 -4.336 6.665 -16.867 24 HA MET 1 HA MET 1 -3.009 6.818 -14.239 25 HB2 MET 1 HB2 MET 1 -4.984 8.705 -15.525 26 HB3 MET 1 HB3 MET 1 -4.511 8.797 -13.835 27 HG2 MET 1 HG2 MET 1 -2.285 8.741 -15.745 28 HG3 MET 1 HG3 MET 1 -3.326 10.161 -15.844 29 HE1 MET 1 HE1 MET 1 -0.365 9.020 -14.942 30 HE2 MET 1 HE2 MET 1 -0.490 8.441 -13.280 31 HE3 MET 1 HE3 MET 1 0.218 10.023 -13.612 32 H SER 2 H SER 2 -4.268 6.465 -12.375 33 HA SER 2 HA SER 2 -7.019 5.865 -12.400 34 HB2 SER 2 HB2 SER 2 -6.716 3.363 -11.875 35 HB3 SER 2 HB3 SER 2 -6.590 3.856 -13.564 36 HG SER 2 HG SER 2 -4.299 3.861 -13.278 37 H LYS 3 H LYS 3 -7.324 6.839 -10.489 38 HA LYS 3 HA LYS 3 -5.504 6.655 -8.309 39 HB2 LYS 3 HB2 LYS 3 -8.153 7.893 -8.800 40 HB3 LYS 3 HB3 LYS 3 -7.749 7.553 -7.123 41 HG2 LYS 3 HG2 LYS 3 -5.507 8.756 -7.738 42 HG3 LYS 3 HG3 LYS 3 -6.485 9.454 -9.030 43 HD2 LYS 3 HD2 LYS 3 -8.171 9.945 -7.096 44 HD3 LYS 3 HD3 LYS 3 -6.747 9.763 -6.069 45 HE2 LYS 3 HE2 LYS 3 -7.097 12.099 -6.666 46 HE3 LYS 3 HE3 LYS 3 -5.595 11.492 -7.359 47 HZ1 LYS 3 HZ1 LYS 3 -6.510 11.432 -9.481 48 HZ2 LYS 3 HZ2 LYS 3 -7.115 12.876 -8.838 49 HZ3 LYS 3 HZ3 LYS 3 -8.103 11.505 -8.919 50 H LEU 4 H LEU 4 -5.333 4.310 -8.189 51 HA LEU 4 HA LEU 4 -7.642 2.889 -7.129 52 HB2 LEU 4 HB2 LEU 4 -6.070 1.911 -8.849 53 HB3 LEU 4 HB3 LEU 4 -4.860 1.821 -7.583 54 HG LEU 4 HG LEU 4 -6.723 0.462 -6.318 55 HD11 LEU 4 HD11 LEU 4 -7.750 -0.985 -8.313 56 HD12 LEU 4 HD12 LEU 4 -7.684 0.588 -9.111 57 HD13 LEU 4 HD13 LEU 4 -8.583 0.399 -7.605 58 HD21 LEU 4 HD21 LEU 4 -4.579 -0.461 -6.863 59 HD22 LEU 4 HD22 LEU 4 -5.022 -0.605 -8.565 60 HD23 LEU 4 HD23 LEU 4 -5.822 -1.611 -7.358 61 H PHE 5 H PHE 5 -7.697 4.204 -5.166 62 HA PHE 5 HA PHE 5 -5.999 3.022 -3.099 63 HB2 PHE 5 HB2 PHE 5 -5.085 5.283 -3.858 64 HB3 PHE 5 HB3 PHE 5 -6.531 5.991 -3.146 65 HD1 PHE 5 HD1 PHE 5 -3.677 3.756 -2.302 66 HD2 PHE 5 HD2 PHE 5 -6.520 6.606 -0.922 67 HE1 PHE 5 HE1 PHE 5 -2.570 3.790 -0.104 68 HE2 PHE 5 HE2 PHE 5 -5.418 6.647 1.277 69 HZ PHE 5 HZ PHE 5 -3.441 5.236 1.688 70 H LEU 6 H LEU 6 -8.775 5.118 -3.804 71 HA LEU 6 HA LEU 6 -9.968 4.695 -1.230 72 HB2 LEU 6 HB2 LEU 6 -11.162 5.834 -3.757 73 HB3 LEU 6 HB3 LEU 6 -11.880 5.918 -2.159 74 HG LEU 6 HG LEU 6 -9.590 7.112 -1.569 75 HD11 LEU 6 HD11 LEU 6 -9.270 8.657 -3.709 76 HD12 LEU 6 HD12 LEU 6 -9.748 7.168 -4.526 77 HD13 LEU 6 HD13 LEU 6 -8.341 7.179 -3.462 78 HD21 LEU 6 HD21 LEU 6 -11.634 8.206 -1.174 79 HD22 LEU 6 HD22 LEU 6 -12.013 8.294 -2.894 80 HD23 LEU 6 HD23 LEU 6 -10.721 9.290 -2.225 81 H ASP 7 H ASP 7 -9.924 2.971 -4.188 82 HA ASP 7 HA ASP 7 -12.360 1.494 -3.489 83 HB2 ASP 7 HB2 ASP 7 -11.751 2.463 -5.872 84 HB3 ASP 7 HB3 ASP 7 -10.833 0.965 -6.001 85 H GLU 8 H GLU 8 -9.862 1.183 -2.016 86 HA GLU 8 HA GLU 8 -9.629 -1.706 -2.277 87 HB2 GLU 8 HB2 GLU 8 -7.217 -1.717 -2.325 88 HB3 GLU 8 HB3 GLU 8 -7.806 -0.757 -3.674 89 HG2 GLU 8 HG2 GLU 8 -6.567 0.946 -3.012 90 HG3 GLU 8 HG3 GLU 8 -7.428 0.986 -1.474 91 H LEU 9 H LEU 9 -10.833 0.098 -0.353 92 HA LEU 9 HA LEU 9 -10.021 -1.121 2.030 93 HB2 LEU 9 HB2 LEU 9 -9.218 1.135 3.094 94 HB3 LEU 9 HB3 LEU 9 -8.088 0.088 2.261 95 HG LEU 9 HG LEU 9 -8.215 1.493 0.269 96 HD11 LEU 9 HD11 LEU 9 -10.373 2.814 1.831 97 HD12 LEU 9 HD12 LEU 9 -10.287 2.439 0.109 98 HD13 LEU 9 HD13 LEU 9 -9.378 3.803 0.761 99 HD21 LEU 9 HD21 LEU 9 -7.243 3.586 1.276 100 HD22 LEU 9 HD22 LEU 9 -6.490 2.075 1.786 101 HD23 LEU 9 HD23 LEU 9 -7.619 2.904 2.858 102 HA PRO 10 HA PRO 10 -13.856 0.251 3.690 103 HB2 PRO 10 HB2 PRO 10 -12.332 1.734 5.793 104 HB3 PRO 10 HB3 PRO 10 -13.698 0.624 5.967 105 HG2 PRO 10 HG2 PRO 10 -11.219 -0.178 6.516 106 HG3 PRO 10 HG3 PRO 10 -12.372 -1.260 5.711 107 HD2 PRO 10 HD2 PRO 10 -10.029 0.186 4.589 108 HD3 PRO 10 HD3 PRO 10 -10.737 -1.368 4.106 109 H GLU 11 H GLU 11 -15.019 1.759 2.694 110 HA GLU 11 HA GLU 11 -14.064 4.156 1.658 111 HB2 GLU 11 HB2 GLU 11 -16.310 2.804 1.283 112 HB3 GLU 11 HB3 GLU 11 -16.933 3.961 2.451 113 HG2 GLU 11 HG2 GLU 11 -15.649 5.623 0.765 114 HG3 GLU 11 HG3 GLU 11 -16.125 4.341 -0.348 115 H SER 12 H SER 12 -15.287 3.412 4.835 116 HA SER 12 HA SER 12 -15.938 5.968 5.741 117 HB2 SER 12 HB2 SER 12 -15.037 4.855 8.014 118 HB3 SER 12 HB3 SER 12 -16.584 4.414 7.290 119 HG SER 12 HG SER 12 -14.176 3.066 6.669 120 H LEU 13 H LEU 13 -12.831 4.350 5.476 121 HA LEU 13 HA LEU 13 -11.403 6.425 6.871 122 HB2 LEU 13 HB2 LEU 13 -10.565 3.993 5.317 123 HB3 LEU 13 HB3 LEU 13 -9.390 5.158 5.898 124 HG LEU 13 HG LEU 13 -11.290 4.117 7.914 125 HD11 LEU 13 HD11 LEU 13 -8.971 2.371 7.298 126 HD12 LEU 13 HD12 LEU 13 -10.415 2.211 6.300 127 HD13 LEU 13 HD13 LEU 13 -10.521 1.978 8.045 128 HD21 LEU 13 HD21 LEU 13 -9.271 4.149 9.294 129 HD22 LEU 13 HD22 LEU 13 -9.534 5.700 8.499 130 HD23 LEU 13 HD23 LEU 13 -8.311 4.588 7.881 131 H SER 14 H SER 14 -11.877 5.450 3.505 132 HA SER 14 HA SER 14 -10.081 7.141 2.251 133 HB2 SER 14 HB2 SER 14 -12.708 6.850 0.918 134 HB3 SER 14 HB3 SER 14 -11.089 6.496 0.316 135 HG SER 14 HG SER 14 -11.187 4.640 1.820 136 H ARG 15 H ARG 15 -13.119 7.893 3.761 137 HA ARG 15 HA ARG 15 -13.591 10.383 2.509 138 HB2 ARG 15 HB2 ARG 15 -14.885 8.781 4.412 139 HB3 ARG 15 HB3 ARG 15 -14.558 10.301 5.236 140 HG2 ARG 15 HG2 ARG 15 -16.585 10.779 4.325 141 HG3 ARG 15 HG3 ARG 15 -15.538 11.321 3.012 142 HD2 ARG 15 HD2 ARG 15 -15.886 8.653 2.456 143 HD3 ARG 15 HD3 ARG 15 -17.459 9.125 3.098 144 HE ARG 15 HE ARG 15 -16.297 9.921 0.593 145 HH11 ARG 15 HH11 ARG 15 -18.602 10.765 3.073 146 HH12 ARG 15 HH12 ARG 15 -19.562 11.749 2.020 147 HH21 ARG 15 HH21 ARG 15 -17.559 11.213 -0.793 148 HH22 ARG 15 HH22 ARG 15 -18.971 12.002 -0.175 149 H LYS 16 H LYS 16 -11.828 9.461 5.429 150 HA LYS 16 HA LYS 16 -11.224 12.189 6.129 151 HB2 LYS 16 HB2 LYS 16 -10.389 9.510 7.213 152 HB3 LYS 16 HB3 LYS 16 -9.630 10.994 7.771 153 HG2 LYS 16 HG2 LYS 16 -11.256 11.152 9.267 154 HG3 LYS 16 HG3 LYS 16 -12.352 11.511 7.931 155 HD2 LYS 16 HD2 LYS 16 -12.446 8.904 7.704 156 HD3 LYS 16 HD3 LYS 16 -11.899 8.940 9.382 157 HE2 LYS 16 HE2 LYS 16 -13.834 10.603 9.745 158 HE3 LYS 16 HE3 LYS 16 -14.444 10.002 8.203 159 HZ1 LYS 16 HZ1 LYS 16 -15.274 8.878 10.305 160 HZ2 LYS 16 HZ2 LYS 16 -13.742 8.166 10.411 161 HZ3 LYS 16 HZ3 LYS 16 -14.722 7.868 9.066 162 H ILE 17 H ILE 17 -9.705 9.638 4.306 163 HA ILE 17 HA ILE 17 -7.076 10.740 4.319 164 HB ILE 17 HB ILE 17 -8.275 8.874 2.269 165 HG12 ILE 17 HG12 ILE 17 -6.593 7.947 4.564 166 HG13 ILE 17 HG13 ILE 17 -8.305 8.255 4.833 167 HG21 ILE 17 HG21 ILE 17 -6.264 8.787 1.324 168 HG22 ILE 17 HG22 ILE 17 -5.476 8.516 2.878 169 HG23 ILE 17 HG23 ILE 17 -5.806 10.161 2.332 170 HD11 ILE 17 HD11 ILE 17 -7.037 5.984 3.658 171 HD12 ILE 17 HD12 ILE 17 -8.147 6.714 2.498 172 HD13 ILE 17 HD13 ILE 17 -8.731 6.222 4.088 173 H GLY 18 H GLY 18 -9.752 10.813 1.979 174 HA2 GLY 18 HA2 GLY 18 -8.561 12.184 -0.093 175 HA3 GLY 18 HA3 GLY 18 -10.262 12.320 0.324 176 H THR 19 H THR 19 -9.900 13.533 2.890 177 HA THR 19 HA THR 19 -9.664 16.243 2.067 178 HB THR 19 HB THR 19 -11.188 15.505 3.868 179 HG1 THR 19 HG1 THR 19 -10.285 17.692 3.747 180 HG21 THR 19 HG21 THR 19 -9.869 15.473 6.183 181 HG22 THR 19 HG22 THR 19 -8.672 14.678 5.160 182 HG23 THR 19 HG23 THR 19 -10.299 14.012 5.293 183 H VAL 20 H VAL 20 -7.503 13.976 3.626 184 HA VAL 20 HA VAL 20 -5.568 15.984 4.354 185 HB VAL 20 HB VAL 20 -5.143 12.999 4.225 186 HG11 VAL 20 HG11 VAL 20 -3.075 14.155 4.433 187 HG12 VAL 20 HG12 VAL 20 -3.482 13.537 6.034 188 HG13 VAL 20 HG13 VAL 20 -3.732 15.242 5.657 189 HG21 VAL 20 HG21 VAL 20 -5.557 13.772 6.884 190 HG22 VAL 20 HG22 VAL 20 -6.616 12.785 5.877 191 HG23 VAL 20 HG23 VAL 20 -6.855 14.529 5.963 192 H VAL 21 H VAL 21 -6.022 13.686 1.729 193 HA VAL 21 HA VAL 21 -3.496 13.792 0.562 194 HB VAL 21 HB VAL 21 -6.057 13.628 -1.022 195 HG11 VAL 21 HG11 VAL 21 -3.243 12.663 -1.442 196 HG12 VAL 21 HG12 VAL 21 -4.207 13.725 -2.468 197 HG13 VAL 21 HG13 VAL 21 -4.608 12.012 -2.350 198 HG21 VAL 21 HG21 VAL 21 -6.624 11.874 0.240 199 HG22 VAL 21 HG22 VAL 21 -5.049 11.827 1.030 200 HG23 VAL 21 HG23 VAL 21 -5.280 11.031 -0.527 201 H ARG 22 H ARG 22 -6.181 16.043 0.375 202 HA ARG 22 HA ARG 22 -5.460 17.553 -1.832 203 HB2 ARG 22 HB2 ARG 22 -7.356 17.737 0.194 204 HB3 ARG 22 HB3 ARG 22 -6.420 19.217 0.354 205 HG2 ARG 22 HG2 ARG 22 -7.641 20.086 -1.273 206 HG3 ARG 22 HG3 ARG 22 -6.890 18.939 -2.384 207 HD2 ARG 22 HD2 ARG 22 -8.755 17.348 -1.308 208 HD3 ARG 22 HD3 ARG 22 -9.570 18.901 -1.129 209 HE ARG 22 HE ARG 22 -8.747 18.928 -3.705 210 HH11 ARG 22 HH11 ARG 22 -10.565 16.634 -1.802 211 HH12 ARG 22 HH12 ARG 22 -11.478 16.049 -3.153 212 HH21 ARG 22 HH21 ARG 22 -9.949 18.160 -5.481 213 HH22 ARG 22 HH22 ARG 22 -11.129 16.914 -5.240 214 H VAL 23 H VAL 23 -4.108 17.533 1.387 215 HA VAL 23 HA VAL 23 -2.566 19.935 1.007 216 HB VAL 23 HB VAL 23 -2.229 17.823 3.141 217 HG11 VAL 23 HG11 VAL 23 -1.627 20.641 3.710 218 HG12 VAL 23 HG12 VAL 23 -0.555 19.871 2.540 219 HG13 VAL 23 HG13 VAL 23 -0.744 19.177 4.149 220 HG21 VAL 23 HG21 VAL 23 -3.951 18.671 4.318 221 HG22 VAL 23 HG22 VAL 23 -4.511 19.228 2.741 222 HG23 VAL 23 HG23 VAL 23 -3.627 20.324 3.800 223 H LEU 24 H LEU 24 -1.932 16.450 0.985 224 HA LEU 24 HA LEU 24 0.605 16.995 -0.396 225 HB2 LEU 24 HB2 LEU 24 0.132 15.476 2.093 226 HB3 LEU 24 HB3 LEU 24 1.207 14.723 0.932 227 HG LEU 24 HG LEU 24 2.582 16.800 0.931 228 HD11 LEU 24 HD11 LEU 24 1.636 18.646 1.731 229 HD12 LEU 24 HD12 LEU 24 1.922 17.985 3.341 230 HD13 LEU 24 HD13 LEU 24 0.367 17.734 2.547 231 HD21 LEU 24 HD21 LEU 24 3.697 15.390 2.272 232 HD22 LEU 24 HD22 LEU 24 2.242 14.926 3.155 233 HD23 LEU 24 HD23 LEU 24 3.096 16.409 3.579 234 HA PRO 25 HA PRO 25 -2.156 13.966 -2.697 235 HB2 PRO 25 HB2 PRO 25 -1.260 15.611 -4.980 236 HB3 PRO 25 HB3 PRO 25 -2.889 15.090 -4.541 237 HG2 PRO 25 HG2 PRO 25 -2.111 17.636 -4.246 238 HG3 PRO 25 HG3 PRO 25 -3.209 16.860 -3.089 239 HD2 PRO 25 HD2 PRO 25 -0.275 17.409 -2.846 240 HD3 PRO 25 HD3 PRO 25 -1.556 17.564 -1.626 241 H SER 26 H SER 26 1.093 15.138 -2.916 242 HA SER 26 HA SER 26 1.893 12.969 -4.703 243 HB2 SER 26 HB2 SER 26 3.608 15.169 -3.531 244 HB3 SER 26 HB3 SER 26 4.031 14.088 -4.858 245 HG SER 26 HG SER 26 1.847 15.898 -4.917 246 H SER 27 H SER 27 2.396 14.127 -1.401 247 HA SER 27 HA SER 27 4.377 12.306 -0.629 248 HB2 SER 27 HB2 SER 27 3.318 14.372 0.617 249 HB3 SER 27 HB3 SER 27 2.272 13.141 1.324 250 HG SER 27 HG SER 27 3.868 12.816 2.639 251 H LEU 28 H LEU 28 0.858 12.024 -0.628 252 HA LEU 28 HA LEU 28 0.647 9.597 0.745 253 HB2 LEU 28 HB2 LEU 28 -1.412 10.509 0.544 254 HB3 LEU 28 HB3 LEU 28 -1.058 11.232 -1.010 255 HG LEU 28 HG LEU 28 -1.399 9.015 -2.077 256 HD11 LEU 28 HD11 LEU 28 -1.204 7.259 -0.702 257 HD12 LEU 28 HD12 LEU 28 -2.892 7.579 -0.305 258 HD13 LEU 28 HD13 LEU 28 -1.607 8.210 0.727 259 HD21 LEU 28 HD21 LEU 28 -3.388 10.714 -0.852 260 HD22 LEU 28 HD22 LEU 28 -3.976 9.061 -1.035 261 HD23 LEU 28 HD23 LEU 28 -3.384 9.948 -2.440 262 H GLU 29 H GLU 29 1.142 10.292 -2.686 263 HA GLU 29 HA GLU 29 0.840 7.722 -3.711 264 HB2 GLU 29 HB2 GLU 29 1.848 10.244 -4.628 265 HB3 GLU 29 HB3 GLU 29 2.940 8.970 -5.148 266 HG2 GLU 29 HG2 GLU 29 -0.008 9.176 -5.703 267 HG3 GLU 29 HG3 GLU 29 1.315 9.346 -6.858 268 H ILE 30 H ILE 30 3.457 9.126 -1.904 269 HA ILE 30 HA ILE 30 5.422 7.171 -2.592 270 HB ILE 30 HB ILE 30 5.365 8.919 -0.132 271 HG12 ILE 30 HG12 ILE 30 6.756 9.566 -2.726 272 HG13 ILE 30 HG13 ILE 30 5.112 10.104 -2.397 273 HG21 ILE 30 HG21 ILE 30 7.034 6.876 -0.653 274 HG22 ILE 30 HG22 ILE 30 7.504 8.313 0.255 275 HG23 ILE 30 HG23 ILE 30 7.892 8.189 -1.460 276 HD11 ILE 30 HD11 ILE 30 7.675 11.015 -1.248 277 HD12 ILE 30 HD12 ILE 30 6.274 10.991 -0.178 278 HD13 ILE 30 HD13 ILE 30 6.228 11.928 -1.671 279 H PHE 31 H PHE 31 3.092 7.552 0.028 280 HA PHE 31 HA PHE 31 4.036 5.321 1.540 281 HB2 PHE 31 HB2 PHE 31 1.256 6.468 1.705 282 HB3 PHE 31 HB3 PHE 31 2.199 5.701 2.977 283 HD1 PHE 31 HD1 PHE 31 4.781 7.131 2.648 284 HD2 PHE 31 HD2 PHE 31 0.774 8.562 2.596 285 HE1 PHE 31 HE1 PHE 31 5.565 9.339 3.396 286 HE2 PHE 31 HE2 PHE 31 1.550 10.774 3.343 287 HZ PHE 31 HZ PHE 31 3.949 11.164 3.745 288 H GLU 32 H GLU 32 1.753 5.758 -1.058 289 HA GLU 32 HA GLU 32 0.249 3.422 -0.808 290 HB2 GLU 32 HB2 GLU 32 0.247 5.493 -2.545 291 HB3 GLU 32 HB3 GLU 32 0.977 4.253 -3.555 292 HG2 GLU 32 HG2 GLU 32 -0.938 2.794 -3.154 293 HG3 GLU 32 HG3 GLU 32 -1.669 4.035 -2.138 294 H GLU 33 H GLU 33 3.254 3.982 -2.625 295 HA GLU 33 HA GLU 33 3.509 1.273 -3.463 296 HB2 GLU 33 HB2 GLU 33 5.193 3.719 -3.565 297 HB3 GLU 33 HB3 GLU 33 6.019 2.174 -3.715 298 HG2 GLU 33 HG2 GLU 33 3.658 2.338 -5.395 299 HG3 GLU 33 HG3 GLU 33 4.833 3.604 -5.748 300 H LEU 34 H LEU 34 4.434 3.052 -0.632 301 HA LEU 34 HA LEU 34 6.451 1.336 0.337 302 HB2 LEU 34 HB2 LEU 34 5.549 3.724 1.111 303 HB3 LEU 34 HB3 LEU 34 4.658 2.734 2.251 304 HG LEU 34 HG LEU 34 7.653 2.920 1.961 305 HD11 LEU 34 HD11 LEU 34 6.118 4.632 3.255 306 HD12 LEU 34 HD12 LEU 34 7.664 4.098 3.914 307 HD13 LEU 34 HD13 LEU 34 6.164 3.374 4.490 308 HD21 LEU 34 HD21 LEU 34 6.053 1.134 3.792 309 HD22 LEU 34 HD22 LEU 34 7.808 1.300 3.759 310 HD23 LEU 34 HD23 LEU 34 6.963 0.597 2.380 311 H TYR 35 H TYR 35 2.965 1.490 1.058 312 HA TYR 35 HA TYR 35 2.993 -0.764 2.775 313 HB2 TYR 35 HB2 TYR 35 0.709 -0.460 2.995 314 HB3 TYR 35 HB3 TYR 35 1.227 1.152 2.520 315 HD1 TYR 35 HD1 TYR 35 -0.184 -2.008 1.135 316 HD2 TYR 35 HD2 TYR 35 0.256 2.198 0.681 317 HE1 TYR 35 HE1 TYR 35 -1.786 -2.049 -0.730 318 HE2 TYR 35 HE2 TYR 35 -1.343 2.170 -1.187 319 HH TYR 35 HH TYR 35 -2.264 -0.592 -2.777 320 H LYS 36 H LYS 36 2.739 -0.384 -0.667 321 HA LYS 36 HA LYS 36 1.725 -3.028 -1.159 322 HB2 LYS 36 HB2 LYS 36 2.841 -0.851 -2.912 323 HB3 LYS 36 HB3 LYS 36 2.484 -2.447 -3.556 324 HG2 LYS 36 HG2 LYS 36 0.456 -0.759 -2.116 325 HG3 LYS 36 HG3 LYS 36 0.687 -0.729 -3.865 326 HD2 LYS 36 HD2 LYS 36 0.149 -3.276 -2.359 327 HD3 LYS 36 HD3 LYS 36 -1.151 -2.247 -2.964 328 HE2 LYS 36 HE2 LYS 36 -0.962 -3.533 -4.804 329 HE3 LYS 36 HE3 LYS 36 0.376 -2.447 -5.178 330 HZ1 LYS 36 HZ1 LYS 36 1.919 -4.019 -4.665 331 HZ2 LYS 36 HZ2 LYS 36 0.675 -5.038 -5.195 332 HZ3 LYS 36 HZ3 LYS 36 0.934 -4.808 -3.540 333 H TYR 37 H TYR 37 4.883 -1.433 -1.442 334 HA TYR 37 HA TYR 37 6.290 -3.689 -2.386 335 HB2 TYR 37 HB2 TYR 37 7.251 -1.506 -2.660 336 HB3 TYR 37 HB3 TYR 37 7.213 -1.207 -0.926 337 HD1 TYR 37 HD1 TYR 37 8.733 -2.570 0.566 338 HD2 TYR 37 HD2 TYR 37 9.112 -2.542 -3.672 339 HE1 TYR 37 HE1 TYR 37 11.024 -3.436 0.772 340 HE2 TYR 37 HE2 TYR 37 11.405 -3.409 -3.478 341 HH TYR 37 HH TYR 37 12.798 -4.602 -1.925 342 H ALA 38 H ALA 38 5.977 -2.322 0.887 343 HA ALA 38 HA ALA 38 7.538 -4.236 2.210 344 HB1 ALA 38 HB1 ALA 38 7.118 -2.355 3.477 345 HB2 ALA 38 HB2 ALA 38 6.032 -3.534 4.212 346 HB3 ALA 38 HB3 ALA 38 5.399 -2.341 3.079 347 H LEU 39 H LEU 39 4.278 -4.368 1.025 348 HA LEU 39 HA LEU 39 3.298 -6.453 2.646 349 HB2 LEU 39 HB2 LEU 39 2.490 -5.071 0.204 350 HB3 LEU 39 HB3 LEU 39 2.017 -6.759 0.216 351 HG LEU 39 HG LEU 39 1.409 -5.105 2.621 352 HD11 LEU 39 HD11 LEU 39 -0.285 -3.918 1.709 353 HD12 LEU 39 HD12 LEU 39 -0.625 -5.137 0.480 354 HD13 LEU 39 HD13 LEU 39 0.730 -4.029 0.271 355 HD21 LEU 39 HD21 LEU 39 0.971 -7.688 2.024 356 HD22 LEU 39 HD22 LEU 39 -0.519 -6.975 1.402 357 HD23 LEU 39 HD23 LEU 39 -0.069 -6.745 3.093 358 H ASN 40 H ASN 40 5.326 -6.425 -0.193 359 HA ASN 40 HA ASN 40 5.063 -9.247 -0.694 360 HB2 ASN 40 HB2 ASN 40 6.305 -6.965 -1.998 361 HB3 ASN 40 HB3 ASN 40 7.359 -8.374 -2.008 362 HD21 ASN 40 HD21 ASN 40 6.976 -8.136 -4.348 363 HD22 ASN 40 HD22 ASN 40 5.601 -8.929 -5.032 364 H GLU 41 H GLU 41 7.534 -7.123 0.681 365 HA GLU 41 HA GLU 41 9.343 -9.261 1.263 366 HB2 GLU 41 HB2 GLU 41 10.664 -7.588 2.419 367 HB3 GLU 41 HB3 GLU 41 10.103 -6.943 0.882 368 HG2 GLU 41 HG2 GLU 41 9.546 -5.159 2.109 369 HG3 GLU 41 HG3 GLU 41 8.122 -6.114 2.516 370 H ASN 42 H ASN 42 6.551 -8.032 2.798 371 HA ASN 42 HA ASN 42 7.063 -8.369 5.494 372 HB2 ASN 42 HB2 ASN 42 4.845 -7.784 3.994 373 HB3 ASN 42 HB3 ASN 42 4.427 -9.362 4.652 374 HD21 ASN 42 HD21 ASN 42 3.454 -9.343 6.534 375 HD22 ASN 42 HD22 ASN 42 3.554 -8.094 7.725 376 H SER 43 H SER 43 6.594 -10.779 3.024 377 HA SER 43 HA SER 43 6.073 -12.966 4.768 378 HB2 SER 43 HB2 SER 43 6.884 -12.717 1.885 379 HB3 SER 43 HB3 SER 43 6.878 -14.294 2.674 380 HG SER 43 HG SER 43 4.807 -14.315 2.405 381 H ASN 44 H ASN 44 7.891 -12.154 6.255 382 HA ASN 44 HA ASN 44 9.963 -14.041 6.249 383 HB2 ASN 44 HB2 ASN 44 10.522 -12.001 4.474 384 HB3 ASN 44 HB3 ASN 44 11.363 -11.489 5.935 385 HD21 ASN 44 HD21 ASN 44 11.018 -14.087 3.605 386 HD22 ASN 44 HD22 ASN 44 12.576 -14.784 3.869 387 H ASP 45 H ASP 45 11.928 -12.815 7.700 388 HA ASP 45 HA ASP 45 10.660 -11.324 9.858 389 HB2 ASP 45 HB2 ASP 45 11.475 -14.156 10.035 390 HB3 ASP 45 HB3 ASP 45 12.032 -13.134 11.356 391 H ARG 46 H ARG 46 12.127 -10.233 11.214 392 HA ARG 46 HA ARG 46 14.968 -10.430 10.588 393 HB2 ARG 46 HB2 ARG 46 13.234 -8.263 9.710 394 HB3 ARG 46 HB3 ARG 46 14.573 -7.682 10.690 395 HG2 ARG 46 HG2 ARG 46 15.935 -9.302 9.078 396 HG3 ARG 46 HG3 ARG 46 14.582 -8.926 8.008 397 HD2 ARG 46 HD2 ARG 46 15.002 -6.533 8.335 398 HD3 ARG 46 HD3 ARG 46 16.360 -6.918 9.390 399 HE ARG 46 HE ARG 46 17.631 -7.371 7.538 400 HH11 ARG 46 HH11 ARG 46 14.273 -7.219 6.601 401 HH12 ARG 46 HH12 ARG 46 14.616 -7.283 4.904 402 HH21 ARG 46 HH21 ARG 46 18.082 -7.456 5.308 403 HH22 ARG 46 HH22 ARG 46 16.776 -7.418 4.170 404 H SER 47 H SER 47 13.203 -10.998 12.902 405 HA SER 47 HA SER 47 13.196 -10.769 15.164 406 HB2 SER 47 HB2 SER 47 15.928 -9.596 14.603 407 HB3 SER 47 HB3 SER 47 15.340 -10.034 16.207 408 HG SER 47 HG SER 47 16.210 -11.890 15.686 409 H GLU 48 H GLU 48 12.043 -8.638 13.564 410 HA GLU 48 HA GLU 48 12.680 -6.086 14.542 411 HB2 GLU 48 HB2 GLU 48 10.375 -5.472 13.789 412 HB3 GLU 48 HB3 GLU 48 11.337 -6.291 12.567 413 HG2 GLU 48 HG2 GLU 48 9.621 -7.661 12.287 414 HG3 GLU 48 HG3 GLU 48 10.013 -8.345 13.864 415 H HIS 49 H HIS 49 11.646 -4.776 16.102 416 HA HIS 49 HA HIS 49 10.488 -6.318 18.320 417 HB2 HIS 49 HB2 HIS 49 12.605 -4.548 18.310 418 HB3 HIS 49 HB3 HIS 49 11.276 -3.559 18.903 419 HD1 HIS 49 HD1 HIS 49 10.057 -4.469 21.103 420 HD2 HIS 49 HD2 HIS 49 13.664 -6.293 20.136 421 HE1 HIS 49 HE1 HIS 49 10.783 -5.671 23.189 422 HE2 HIS 49 HE2 HIS 49 12.919 -6.843 22.551 423 H HIS 50 H HIS 50 8.861 -5.153 19.661 424 HA HIS 50 HA HIS 50 6.858 -3.982 17.915 425 HB2 HIS 50 HB2 HIS 50 6.871 -5.279 20.579 426 HB3 HIS 50 HB3 HIS 50 5.647 -4.040 20.324 427 HD1 HIS 50 HD1 HIS 50 5.114 -4.735 17.290 428 HD2 HIS 50 HD2 HIS 50 5.182 -7.451 20.434 429 HE1 HIS 50 HE1 HIS 50 3.739 -6.692 16.515 430 HE2 HIS 50 HE2 HIS 50 3.726 -8.288 18.466 431 H LYS 51 H LYS 51 7.967 -3.167 21.208 432 HA LYS 51 HA LYS 51 8.108 -0.353 20.416 433 HB2 LYS 51 HB2 LYS 51 5.861 -0.730 21.383 434 HB3 LYS 51 HB3 LYS 51 6.611 -1.322 22.857 435 HG2 LYS 51 HG2 LYS 51 7.509 0.815 23.361 436 HG3 LYS 51 HG3 LYS 51 7.082 1.439 21.766 437 HD2 LYS 51 HD2 LYS 51 5.276 2.255 22.836 438 HD3 LYS 51 HD3 LYS 51 4.660 0.610 22.658 439 HE2 LYS 51 HE2 LYS 51 4.385 0.716 24.885 440 HE3 LYS 51 HE3 LYS 51 6.114 0.374 24.934 441 HZ1 LYS 51 HZ1 LYS 51 4.736 2.960 25.282 442 HZ2 LYS 51 HZ2 LYS 51 6.363 2.905 24.824 443 HZ3 LYS 51 HZ3 LYS 51 5.874 2.219 26.291 444 H LYS 52 H LYS 52 10.198 0.059 20.763 445 HA LYS 52 HA LYS 52 12.174 0.374 21.838 446 HB2 LYS 52 HB2 LYS 52 10.235 0.864 23.745 447 HB3 LYS 52 HB3 LYS 52 11.287 -0.297 24.541 448 HG2 LYS 52 HG2 LYS 52 12.013 1.923 25.075 449 HG3 LYS 52 HG3 LYS 52 13.217 1.162 24.032 450 HD2 LYS 52 HD2 LYS 52 11.600 2.360 22.202 451 HD3 LYS 52 HD3 LYS 52 11.495 3.494 23.550 452 HE2 LYS 52 HE2 LYS 52 13.383 4.352 22.691 453 HE3 LYS 52 HE3 LYS 52 14.165 2.984 23.481 454 HZ1 LYS 52 HZ1 LYS 52 13.402 3.263 20.637 455 HZ2 LYS 52 HZ2 LYS 52 13.744 1.755 21.324 456 HZ3 LYS 52 HZ3 LYS 52 14.933 2.957 21.288 457 HA PRO 53 HA PRO 53 13.673 -3.806 22.072 458 HB2 PRO 53 HB2 PRO 53 16.292 -3.277 22.482 459 HB3 PRO 53 HB3 PRO 53 15.509 -3.033 20.917 460 HG2 PRO 53 HG2 PRO 53 16.155 -1.027 23.044 461 HG3 PRO 53 HG3 PRO 53 16.355 -0.898 21.286 462 HD2 PRO 53 HD2 PRO 53 14.265 0.213 22.620 463 HD3 PRO 53 HD3 PRO 53 14.143 -0.368 20.946 464 H ARG 54 H ARG 54 14.512 -5.299 23.590 465 HA ARG 54 HA ARG 54 14.429 -4.329 26.366 466 HB2 ARG 54 HB2 ARG 54 13.718 -6.960 25.104 467 HB3 ARG 54 HB3 ARG 54 14.085 -6.859 26.821 468 HG2 ARG 54 HG2 ARG 54 11.963 -5.218 25.457 469 HG3 ARG 54 HG3 ARG 54 11.661 -6.757 26.268 470 HD2 ARG 54 HD2 ARG 54 12.817 -4.285 27.554 471 HD3 ARG 54 HD3 ARG 54 11.152 -4.843 27.714 472 HE ARG 54 HE ARG 54 12.596 -6.971 28.546 473 HH11 ARG 54 HH11 ARG 54 12.609 -3.594 29.424 474 HH12 ARG 54 HH12 ARG 54 13.111 -3.891 31.054 475 HH21 ARG 54 HH21 ARG 54 13.259 -7.364 30.690 476 HH22 ARG 54 HH22 ARG 54 13.481 -6.030 31.773 477 H ILE 55 H ILE 55 16.693 -3.661 26.081 478 HA ILE 55 HA ILE 55 18.765 -5.493 25.564 479 HB ILE 55 HB ILE 55 20.194 -3.782 26.769 480 HG12 ILE 55 HG12 ILE 55 17.984 -1.832 26.607 481 HG13 ILE 55 HG13 ILE 55 17.875 -2.992 27.928 482 HG21 ILE 55 HG21 ILE 55 18.574 -2.414 24.680 483 HG22 ILE 55 HG22 ILE 55 19.456 -3.882 24.262 484 HG23 ILE 55 HG23 ILE 55 20.325 -2.480 24.885 485 HD11 ILE 55 HD11 ILE 55 20.500 -1.721 27.590 486 HD12 ILE 55 HD12 ILE 55 19.576 -2.060 29.053 487 HD13 ILE 55 HD13 ILE 55 19.186 -0.647 28.072 488 H ASP 56 H ASP 56 20.545 -5.838 27.295 489 HA ASP 56 HA ASP 56 19.648 -6.203 29.996 490 HB2 ASP 56 HB2 ASP 56 18.906 -8.235 28.369 491 HB3 ASP 56 HB3 ASP 56 20.509 -8.789 28.844 492 H ASP 57 H ASP 57 21.340 -5.972 31.306 493 HA ASP 57 HA ASP 57 23.994 -5.822 30.182 494 HB2 ASP 57 HB2 ASP 57 23.171 -5.526 33.076 495 HB3 ASP 57 HB3 ASP 57 24.670 -4.970 32.336 496 H SER 58 H SER 58 25.814 -7.008 30.921 497 HA SER 58 HA SER 58 25.117 -9.660 31.996 498 HB2 SER 58 HB2 SER 58 26.417 -9.002 29.606 499 HB3 SER 58 HB3 SER 58 27.701 -9.558 30.679 500 HG SER 58 HG SER 58 26.690 -11.496 30.893 501 H SER 59 H SER 59 27.424 -7.003 32.117 502 HA SER 59 HA SER 59 28.930 -6.356 33.693 503 HB2 SER 59 HB2 SER 59 27.583 -8.278 35.592 504 HB3 SER 59 HB3 SER 59 28.439 -6.786 35.982 505 HG SER 59 HG SER 59 26.728 -5.642 35.432 506 H ASP 60 H ASP 60 30.185 -7.733 35.767 507 HA ASP 60 HA ASP 60 31.843 -9.222 36.233 508 HB2 ASP 60 HB2 ASP 60 30.087 -10.898 35.449 509 HB3 ASP 60 HB3 ASP 60 30.908 -10.883 33.892 510 H LEU 61 H LEU 61 33.935 -8.970 35.806 511 HA LEU 61 HA LEU 61 34.782 -8.617 33.014 512 HB2 LEU 61 HB2 LEU 61 35.860 -6.981 35.305 513 HB3 LEU 61 HB3 LEU 61 36.213 -6.786 33.599 514 HG LEU 61 HG LEU 61 33.633 -6.336 33.413 515 HD11 LEU 61 HD11 LEU 61 32.483 -5.819 35.275 516 HD12 LEU 61 HD12 LEU 61 33.879 -5.084 36.062 517 HD13 LEU 61 HD13 LEU 61 33.687 -6.837 36.066 518 HD21 LEU 61 HD21 LEU 61 34.995 -4.609 32.735 519 HD22 LEU 61 HD22 LEU 61 35.829 -4.514 34.287 520 HD23 LEU 61 HD23 LEU 61 34.187 -3.888 34.127 521 H LEU 62 H LEU 62 37.373 -8.493 33.091 522 HA LEU 62 HA LEU 62 39.329 -9.601 33.431 523 HB2 LEU 62 HB2 LEU 62 38.271 -9.319 35.967 524 HB3 LEU 62 HB3 LEU 62 38.590 -11.041 35.862 525 HG LEU 62 HG LEU 62 40.463 -9.794 36.860 526 HD11 LEU 62 HD11 LEU 62 42.241 -10.668 35.313 527 HD12 LEU 62 HD12 LEU 62 40.948 -11.124 34.205 528 HD13 LEU 62 HD13 LEU 62 41.028 -11.845 35.812 529 HD21 LEU 62 HD21 LEU 62 39.935 -7.812 35.173 530 HD22 LEU 62 HD22 LEU 62 41.187 -8.623 34.233 531 HD23 LEU 62 HD23 LEU 62 41.537 -8.055 35.865 532 H LYS 63 H LYS 63 36.963 -11.821 34.910 533 HA LYS 63 HA LYS 63 38.034 -14.026 33.381 534 HB2 LYS 63 HB2 LYS 63 35.883 -13.792 35.476 535 HB3 LYS 63 HB3 LYS 63 36.166 -15.290 34.602 536 HG2 LYS 63 HG2 LYS 63 37.502 -15.706 36.368 537 HG3 LYS 63 HG3 LYS 63 38.665 -14.790 35.407 538 HD2 LYS 63 HD2 LYS 63 38.764 -13.873 37.581 539 HD3 LYS 63 HD3 LYS 63 37.831 -12.725 36.618 540 HE2 LYS 63 HE2 LYS 63 36.123 -14.725 37.813 541 HE3 LYS 63 HE3 LYS 63 37.085 -13.899 39.036 542 HZ1 LYS 63 HZ1 LYS 63 36.275 -11.834 37.575 543 HZ2 LYS 63 HZ2 LYS 63 35.414 -12.420 38.908 544 HZ3 LYS 63 HZ3 LYS 63 34.960 -12.872 37.345 545 H THR 64 H THR 64 37.263 -12.519 31.449 546 HA THR 64 HA THR 64 34.513 -13.242 30.712 547 HB THR 64 HB THR 64 35.239 -11.557 28.750 548 HG1 THR 64 HG1 THR 64 36.652 -10.050 29.462 549 HG21 THR 64 HG21 THR 64 33.347 -10.920 29.876 550 HG22 THR 64 HG22 THR 64 34.483 -9.656 30.348 551 HG23 THR 64 HG23 THR 64 34.132 -10.984 31.454 552 H ASP 65 H ASP 65 37.863 -13.449 29.653 553 HA ASP 65 HA ASP 65 37.234 -14.763 27.182 554 HB2 ASP 65 HB2 ASP 65 39.543 -13.604 28.388 555 HB3 ASP 65 HB3 ASP 65 39.936 -15.264 27.951 556 H GLU 66 H GLU 66 36.219 -16.679 27.371 557 HA GLU 66 HA GLU 66 37.229 -18.638 29.301 558 HB2 GLU 66 HB2 GLU 66 34.732 -18.013 29.031 559 HB3 GLU 66 HB3 GLU 66 34.791 -19.005 27.581 560 HG2 GLU 66 HG2 GLU 66 33.953 -20.224 29.540 561 HG3 GLU 66 HG3 GLU 66 35.419 -20.938 28.868 562 H ILE 67 H ILE 67 38.788 -18.039 26.989 563 HA ILE 67 HA ILE 67 38.674 -20.649 25.628 564 HB ILE 67 HB ILE 67 37.936 -18.883 24.088 565 HG12 ILE 67 HG12 ILE 67 40.706 -19.828 23.330 566 HG13 ILE 67 HG13 ILE 67 39.292 -20.878 23.328 567 HG21 ILE 67 HG21 ILE 67 39.079 -16.982 25.026 568 HG22 ILE 67 HG22 ILE 67 39.557 -17.170 23.338 569 HG23 ILE 67 HG23 ILE 67 40.648 -17.681 24.626 570 HD11 ILE 67 HD11 ILE 67 39.260 -18.329 21.779 571 HD12 ILE 67 HD12 ILE 67 38.345 -19.814 21.518 572 HD13 ILE 67 HD13 ILE 67 40.065 -19.758 21.132 573 H1 GLY 68 H1 GLY 68 24.325 15.064 26.084 574 H2 GLY 68 H2 GLY 68 22.771 15.151 26.747 575 H3 GLY 68 H3 GLY 68 23.086 15.843 25.236 576 HA2 GLY 68 HA2 GLY 68 23.849 13.321 24.785 577 HA3 GLY 68 HA3 GLY 68 22.543 13.086 25.936 578 H HIS 69 H HIS 69 22.216 12.059 23.476 579 HA HIS 69 HA HIS 69 20.438 13.958 22.096 580 HB2 HIS 69 HB2 HIS 69 21.644 11.442 20.934 581 HB3 HIS 69 HB3 HIS 69 20.796 12.720 20.069 582 HD1 HIS 69 HD1 HIS 69 22.416 15.051 21.585 583 HD2 HIS 69 HD2 HIS 69 24.015 11.816 19.524 584 HE1 HIS 69 HE1 HIS 69 24.732 15.760 20.915 585 HE2 HIS 69 HE2 HIS 69 25.713 13.755 19.746 586 H MET 70 H MET 70 18.920 12.286 20.602 587 HA MET 70 HA MET 70 17.641 10.454 22.510 588 HB2 MET 70 HB2 MET 70 16.458 12.667 22.441 589 HB3 MET 70 HB3 MET 70 16.123 12.376 20.741 590 HG2 MET 70 HG2 MET 70 14.814 10.427 21.290 591 HG3 MET 70 HG3 MET 70 15.222 10.602 22.997 592 HE1 MET 70 HE1 MET 70 11.511 11.481 23.168 593 HE2 MET 70 HE2 MET 70 12.827 11.171 24.301 594 HE3 MET 70 HE3 MET 70 12.611 10.129 22.894 595 H MET 71 H MET 71 16.884 8.581 21.659 596 HA MET 71 HA MET 71 16.941 8.293 18.730 597 HB2 MET 71 HB2 MET 71 18.281 6.638 20.820 598 HB3 MET 71 HB3 MET 71 17.658 5.830 19.387 599 HG2 MET 71 HG2 MET 71 18.999 7.354 17.988 600 HG3 MET 71 HG3 MET 71 19.669 8.067 19.453 601 HE1 MET 71 HE1 MET 71 22.831 6.430 18.730 602 HE2 MET 71 HE2 MET 71 21.780 7.806 18.402 603 HE3 MET 71 HE3 MET 71 21.921 6.505 17.221 604 H SER 72 H SER 72 14.897 7.986 18.136 605 HA SER 72 HA SER 72 13.405 5.786 19.291 606 HB2 SER 72 HB2 SER 72 11.380 7.169 19.688 607 HB3 SER 72 HB3 SER 72 12.719 7.620 20.742 608 HG SER 72 HG SER 72 11.478 9.347 19.567 609 H LYS 73 H LYS 73 14.535 5.958 16.797 610 HA LYS 73 HA LYS 73 12.221 6.406 15.028 611 HB2 LYS 73 HB2 LYS 73 15.162 6.432 14.326 612 HB3 LYS 73 HB3 LYS 73 13.840 6.684 13.196 613 HG2 LYS 73 HG2 LYS 73 13.943 8.458 15.561 614 HG3 LYS 73 HG3 LYS 73 15.178 8.685 14.321 615 HD2 LYS 73 HD2 LYS 73 13.724 9.694 12.967 616 HD3 LYS 73 HD3 LYS 73 12.579 8.359 13.117 617 HE2 LYS 73 HE2 LYS 73 11.363 10.129 13.965 618 HE3 LYS 73 HE3 LYS 73 12.048 9.424 15.428 619 HZ1 LYS 73 HZ1 LYS 73 13.950 11.147 14.859 620 HZ2 LYS 73 HZ2 LYS 73 12.593 11.578 15.774 621 HZ3 LYS 73 HZ3 LYS 73 12.662 11.962 14.129 622 H LEU 74 H LEU 74 11.248 4.567 14.517 623 HA LEU 74 HA LEU 74 12.910 2.173 14.081 624 HB2 LEU 74 HB2 LEU 74 10.183 2.485 15.293 625 HB3 LEU 74 HB3 LEU 74 10.685 0.958 14.592 626 HG LEU 74 HG LEU 74 12.297 2.318 16.736 627 HD11 LEU 74 HD11 LEU 74 11.044 1.445 18.409 628 HD12 LEU 74 HD12 LEU 74 10.502 0.074 17.440 629 HD13 LEU 74 HD13 LEU 74 9.759 1.658 17.219 630 HD21 LEU 74 HD21 LEU 74 13.657 0.682 15.954 631 HD22 LEU 74 HD22 LEU 74 12.320 -0.287 15.333 632 HD23 LEU 74 HD23 LEU 74 12.693 -0.301 17.057 633 H PHE 75 H PHE 75 10.107 4.011 13.003 634 HA PHE 75 HA PHE 75 9.399 2.334 10.844 635 HB2 PHE 75 HB2 PHE 75 7.878 4.032 11.771 636 HB3 PHE 75 HB3 PHE 75 8.938 5.307 11.178 637 HD1 PHE 75 HD1 PHE 75 7.853 2.185 9.478 638 HD2 PHE 75 HD2 PHE 75 7.658 6.435 9.606 639 HE1 PHE 75 HE1 PHE 75 6.641 2.191 7.336 640 HE2 PHE 75 HE2 PHE 75 6.445 6.447 7.465 641 HZ PHE 75 HZ PHE 75 5.935 4.323 6.328 642 H LEU 76 H LEU 76 11.398 5.270 10.999 643 HA LEU 76 HA LEU 76 12.204 4.880 8.222 644 HB2 LEU 76 HB2 LEU 76 12.727 7.096 10.197 645 HB3 LEU 76 HB3 LEU 76 13.425 7.051 8.589 646 HG LEU 76 HG LEU 76 10.474 6.809 8.765 647 HD11 LEU 76 HD11 LEU 76 12.004 9.138 9.748 648 HD12 LEU 76 HD12 LEU 76 10.384 8.579 10.169 649 HD13 LEU 76 HD13 LEU 76 10.648 9.473 8.672 650 HD21 LEU 76 HD21 LEU 76 11.237 6.797 6.586 651 HD22 LEU 76 HD22 LEU 76 12.513 7.970 6.916 652 HD23 LEU 76 HD23 LEU 76 10.834 8.498 6.825 653 H ASP 77 H ASP 77 13.080 3.205 10.636 654 HA ASP 77 HA ASP 77 15.982 3.520 10.252 655 HB2 ASP 77 HB2 ASP 77 14.349 2.972 12.644 656 HB3 ASP 77 HB3 ASP 77 15.778 1.955 12.478 657 H GLU 78 H GLU 78 13.293 1.262 10.407 658 HA GLU 78 HA GLU 78 14.946 -1.032 9.847 659 HB2 GLU 78 HB2 GLU 78 11.938 -0.713 9.867 660 HB3 GLU 78 HB3 GLU 78 12.789 -2.244 9.703 661 HG2 GLU 78 HG2 GLU 78 13.270 -0.474 12.064 662 HG3 GLU 78 HG3 GLU 78 11.876 -1.551 12.008 663 H LEU 79 H LEU 79 12.252 0.517 8.085 664 HA LEU 79 HA LEU 79 12.529 -0.811 5.681 665 HB2 LEU 79 HB2 LEU 79 11.174 0.840 4.733 666 HB3 LEU 79 HB3 LEU 79 10.736 0.854 6.426 667 HG LEU 79 HG LEU 79 12.566 2.783 6.511 668 HD11 LEU 79 HD11 LEU 79 12.128 4.172 4.386 669 HD12 LEU 79 HD12 LEU 79 11.705 2.628 3.649 670 HD13 LEU 79 HD13 LEU 79 13.318 2.874 4.316 671 HD21 LEU 79 HD21 LEU 79 10.817 4.215 6.781 672 HD22 LEU 79 HD22 LEU 79 9.934 2.689 6.845 673 HD23 LEU 79 HD23 LEU 79 9.970 3.628 5.351 674 HA PRO 80 HA PRO 80 16.035 0.436 3.310 675 HB2 PRO 80 HB2 PRO 80 14.283 2.265 1.706 676 HB3 PRO 80 HB3 PRO 80 15.494 1.100 1.155 677 HG2 PRO 80 HG2 PRO 80 12.907 0.507 1.025 678 HG3 PRO 80 HG3 PRO 80 14.094 -0.721 1.503 679 HD2 PRO 80 HD2 PRO 80 12.126 0.760 3.165 680 HD3 PRO 80 HD3 PRO 80 12.770 -0.880 3.373 681 H GLU 81 H GLU 81 17.022 1.578 5.007 682 HA GLU 81 HA GLU 81 16.514 4.087 5.959 683 HB2 GLU 81 HB2 GLU 81 18.227 2.587 6.879 684 HB3 GLU 81 HB3 GLU 81 19.239 2.874 5.469 685 HG2 GLU 81 HG2 GLU 81 19.178 5.329 6.118 686 HG3 GLU 81 HG3 GLU 81 18.504 4.791 7.656 687 H SER 82 H SER 82 17.928 3.237 2.892 688 HA SER 82 HA SER 82 19.026 5.784 2.280 689 HB2 SER 82 HB2 SER 82 19.073 4.944 -0.060 690 HB3 SER 82 HB3 SER 82 19.771 3.798 1.085 691 HG SER 82 HG SER 82 17.898 3.298 -0.632 692 H LEU 83 H LEU 83 15.907 4.250 1.660 693 HA LEU 83 HA LEU 83 14.902 6.496 0.163 694 HB2 LEU 83 HB2 LEU 83 14.207 3.826 0.404 695 HB3 LEU 83 HB3 LEU 83 12.902 4.659 1.227 696 HG LEU 83 HG LEU 83 13.780 5.072 -1.630 697 HD11 LEU 83 HD11 LEU 83 11.847 3.981 -2.276 698 HD12 LEU 83 HD12 LEU 83 11.068 4.212 -0.711 699 HD13 LEU 83 HD13 LEU 83 12.369 3.032 -0.883 700 HD21 LEU 83 HD21 LEU 83 12.103 6.696 0.182 701 HD22 LEU 83 HD22 LEU 83 11.477 6.427 -1.445 702 HD23 LEU 83 HD23 LEU 83 13.057 7.177 -1.222 703 H SER 84 H SER 84 14.819 5.370 3.464 704 HA SER 84 HA SER 84 12.667 6.824 4.460 705 HB2 SER 84 HB2 SER 84 15.103 6.580 6.160 706 HB3 SER 84 HB3 SER 84 13.419 6.225 6.547 707 HG SER 84 HG SER 84 14.321 4.263 6.363 708 H ARG 85 H ARG 85 15.854 7.873 3.547 709 HA ARG 85 HA ARG 85 16.019 10.272 4.974 710 HB2 ARG 85 HB2 ARG 85 17.289 9.138 2.559 711 HB3 ARG 85 HB3 ARG 85 17.324 10.892 2.679 712 HG2 ARG 85 HG2 ARG 85 18.509 10.814 4.732 713 HG3 ARG 85 HG3 ARG 85 18.257 9.075 4.884 714 HD2 ARG 85 HD2 ARG 85 19.646 8.684 2.926 715 HD3 ARG 85 HD3 ARG 85 19.861 10.421 2.713 716 HE ARG 85 HE ARG 85 21.497 10.355 4.299 717 HH11 ARG 85 HH11 ARG 85 19.494 7.522 4.672 718 HH12 ARG 85 HH12 ARG 85 20.494 6.821 5.899 719 HH21 ARG 85 HH21 ARG 85 22.816 9.435 5.914 720 HH22 ARG 85 HH22 ARG 85 22.381 7.906 6.603 721 H LYS 86 H LYS 86 14.536 9.546 1.845 722 HA LYS 86 HA LYS 86 13.748 12.281 1.402 723 HB2 LYS 86 HB2 LYS 86 13.183 9.691 -0.027 724 HB3 LYS 86 HB3 LYS 86 12.403 11.197 -0.494 725 HG2 LYS 86 HG2 LYS 86 14.282 12.046 -1.416 726 HG3 LYS 86 HG3 LYS 86 15.345 11.260 -0.247 727 HD2 LYS 86 HD2 LYS 86 14.960 9.107 -1.382 728 HD3 LYS 86 HD3 LYS 86 13.953 9.932 -2.574 729 HE2 LYS 86 HE2 LYS 86 15.871 10.061 -3.741 730 HE3 LYS 86 HE3 LYS 86 16.194 11.437 -2.689 731 HZ1 LYS 86 HZ1 LYS 86 17.145 8.652 -2.293 732 HZ2 LYS 86 HZ2 LYS 86 17.378 9.912 -1.187 733 HZ3 LYS 86 HZ3 LYS 86 18.089 9.989 -2.721 734 H ILE 87 H ILE 87 12.279 9.354 2.651 735 HA ILE 87 HA ILE 87 9.598 10.309 2.641 736 HB ILE 87 HB ILE 87 10.762 8.176 4.433 737 HG12 ILE 87 HG12 ILE 87 9.413 7.712 1.777 738 HG13 ILE 87 HG13 ILE 87 11.157 7.913 1.907 739 HG21 ILE 87 HG21 ILE 87 8.016 9.075 3.748 740 HG22 ILE 87 HG22 ILE 87 8.669 8.490 5.278 741 HG23 ILE 87 HG23 ILE 87 8.289 7.349 3.988 742 HD11 ILE 87 HD11 ILE 87 10.312 5.989 3.826 743 HD12 ILE 87 HD12 ILE 87 11.378 5.782 2.436 744 HD13 ILE 87 HD13 ILE 87 9.636 5.571 2.251 745 H GLY 88 H GLY 88 12.052 10.020 5.208 746 HA2 GLY 88 HA2 GLY 88 10.512 11.130 7.275 747 HA3 GLY 88 HA3 GLY 88 12.266 11.088 7.226 748 H THR 89 H THR 89 12.023 12.638 4.581 749 HA THR 89 HA THR 89 12.257 15.236 5.796 750 HB THR 89 HB THR 89 12.370 15.651 3.073 751 HG1 THR 89 HG1 THR 89 12.548 13.759 2.204 752 HG21 THR 89 HG21 THR 89 14.060 16.111 5.014 753 HG22 THR 89 HG22 THR 89 14.607 16.005 3.341 754 HG23 THR 89 HG23 THR 89 14.811 14.627 4.423 755 H VAL 90 H VAL 90 9.906 13.542 3.822 756 HA VAL 90 HA VAL 90 8.348 15.899 3.269 757 HB VAL 90 HB VAL 90 7.427 13.045 2.976 758 HG11 VAL 90 HG11 VAL 90 5.619 14.516 2.682 759 HG12 VAL 90 HG12 VAL 90 6.162 14.130 1.049 760 HG13 VAL 90 HG13 VAL 90 6.597 15.673 1.780 761 HG21 VAL 90 HG21 VAL 90 8.228 13.805 0.479 762 HG22 VAL 90 HG22 VAL 90 9.155 12.777 1.572 763 HG23 VAL 90 HG23 VAL 90 9.485 14.509 1.495 764 H VAL 91 H VAL 91 8.341 13.358 5.675 765 HA VAL 91 HA VAL 91 5.759 13.555 6.663 766 HB VAL 91 HB VAL 91 8.214 13.169 8.378 767 HG11 VAL 91 HG11 VAL 91 6.410 11.541 9.440 768 HG12 VAL 91 HG12 VAL 91 5.302 12.714 8.728 769 HG13 VAL 91 HG13 VAL 91 6.514 13.243 9.893 770 HG21 VAL 91 HG21 VAL 91 8.637 11.485 6.932 771 HG22 VAL 91 HG22 VAL 91 6.982 11.441 6.329 772 HG23 VAL 91 HG23 VAL 91 7.385 10.663 7.860 773 H ARG 92 H ARG 92 8.513 15.668 7.171 774 HA ARG 92 HA ARG 92 7.632 17.120 9.375 775 HB2 ARG 92 HB2 ARG 92 9.552 17.524 7.192 776 HB3 ARG 92 HB3 ARG 92 8.903 19.020 7.849 777 HG2 ARG 92 HG2 ARG 92 9.796 18.639 9.952 778 HG3 ARG 92 HG3 ARG 92 9.968 16.905 9.671 779 HD2 ARG 92 HD2 ARG 92 12.148 17.596 9.466 780 HD3 ARG 92 HD3 ARG 92 11.612 17.678 7.789 781 HE ARG 92 HE ARG 92 11.273 20.141 9.232 782 HH11 ARG 92 HH11 ARG 92 13.493 18.207 7.360 783 HH12 ARG 92 HH12 ARG 92 14.458 19.560 6.874 784 HH21 ARG 92 HH21 ARG 92 12.540 21.921 8.594 785 HH22 ARG 92 HH22 ARG 92 13.918 21.669 7.575 786 H VAL 93 H VAL 93 6.566 17.181 6.074 787 HA VAL 93 HA VAL 93 5.180 19.696 6.285 788 HB VAL 93 HB VAL 93 4.824 17.560 4.180 789 HG11 VAL 93 HG11 VAL 93 4.465 20.501 3.776 790 HG12 VAL 93 HG12 VAL 93 3.172 19.542 4.495 791 HG13 VAL 93 HG13 VAL 93 3.764 19.152 2.882 792 HG21 VAL 93 HG21 VAL 93 6.984 19.526 4.627 793 HG22 VAL 93 HG22 VAL 93 6.386 19.373 2.975 794 HG23 VAL 93 HG23 VAL 93 7.022 17.961 3.818 795 H LEU 94 H LEU 94 4.398 16.292 6.628 796 HA LEU 94 HA LEU 94 1.800 17.052 7.731 797 HB2 LEU 94 HB2 LEU 94 2.196 15.674 5.219 798 HB3 LEU 94 HB3 LEU 94 1.272 14.692 6.339 799 HG LEU 94 HG LEU 94 0.579 17.496 5.476 800 HD11 LEU 94 HD11 LEU 94 -1.355 15.434 4.893 801 HD12 LEU 94 HD12 LEU 94 0.198 15.102 4.125 802 HD13 LEU 94 HD13 LEU 94 -0.625 16.631 3.824 803 HD21 LEU 94 HD21 LEU 94 -0.155 16.103 7.808 804 HD22 LEU 94 HD22 LEU 94 -1.556 16.078 6.740 805 HD23 LEU 94 HD23 LEU 94 -0.820 17.614 7.190 806 HA PRO 95 HA PRO 95 4.145 13.911 10.280 807 HB2 PRO 95 HB2 PRO 95 3.611 15.186 12.646 808 HB3 PRO 95 HB3 PRO 95 5.057 15.483 11.676 809 HG2 PRO 95 HG2 PRO 95 2.517 17.055 11.823 810 HG3 PRO 95 HG3 PRO 95 4.191 17.636 11.753 811 HD2 PRO 95 HD2 PRO 95 2.592 17.632 9.585 812 HD3 PRO 95 HD3 PRO 95 4.337 17.323 9.466 813 H SER 96 H SER 96 1.016 15.350 10.177 814 HA SER 96 HA SER 96 -0.166 13.415 11.994 815 HB2 SER 96 HB2 SER 96 -0.807 15.994 11.496 816 HB3 SER 96 HB3 SER 96 -1.911 15.186 10.383 817 HG SER 96 HG SER 96 -2.249 15.527 12.943 818 H SER 97 H SER 97 -0.175 14.230 8.536 819 HA SER 97 HA SER 97 -2.103 12.377 7.704 820 HB2 SER 97 HB2 SER 97 -0.897 14.240 6.362 821 HB3 SER 97 HB3 SER 97 0.317 13.006 6.032 822 HG SER 97 HG SER 97 -1.251 13.017 4.405 823 H LEU 98 H LEU 98 1.429 12.039 7.903 824 HA LEU 98 HA LEU 98 1.644 9.426 6.987 825 HB2 LEU 98 HB2 LEU 98 3.326 11.333 8.266 826 HB3 LEU 98 HB3 LEU 98 3.527 9.801 9.094 827 HG LEU 98 HG LEU 98 3.662 9.048 6.457 828 HD11 LEU 98 HD11 LEU 98 5.057 11.704 6.740 829 HD12 LEU 98 HD12 LEU 98 3.671 11.362 5.705 830 HD13 LEU 98 HD13 LEU 98 5.225 10.589 5.385 831 HD21 LEU 98 HD21 LEU 98 6.250 9.292 7.002 832 HD22 LEU 98 HD22 LEU 98 5.235 8.075 7.776 833 HD23 LEU 98 HD23 LEU 98 5.615 9.574 8.624 834 H GLU 99 H GLU 99 0.704 10.628 10.142 835 HA GLU 99 HA GLU 99 0.979 8.277 11.632 836 HB2 GLU 99 HB2 GLU 99 0.378 10.687 12.391 837 HB3 GLU 99 HB3 GLU 99 -1.285 10.202 12.083 838 HG2 GLU 99 HG2 GLU 99 -1.217 8.539 13.747 839 HG3 GLU 99 HG3 GLU 99 0.541 8.630 13.873 840 H ILE 100 H ILE 100 -1.700 9.451 9.643 841 HA ILE 100 HA ILE 100 -3.488 7.341 10.280 842 HB ILE 100 HB ILE 100 -3.464 9.011 7.764 843 HG12 ILE 100 HG12 ILE 100 -5.173 9.637 10.139 844 HG13 ILE 100 HG13 ILE 100 -3.491 10.160 10.140 845 HG21 ILE 100 HG21 ILE 100 -5.527 7.294 9.103 846 HG22 ILE 100 HG22 ILE 100 -4.962 7.248 7.434 847 HG23 ILE 100 HG23 ILE 100 -5.977 8.582 7.985 848 HD11 ILE 100 HD11 ILE 100 -4.032 11.198 7.857 849 HD12 ILE 100 HD12 ILE 100 -4.640 11.990 9.310 850 HD13 ILE 100 HD13 ILE 100 -5.718 10.994 8.332 851 H PHE 101 H PHE 101 -1.269 7.897 7.564 852 HA PHE 101 HA PHE 101 -1.898 5.531 6.161 853 HB2 PHE 101 HB2 PHE 101 0.640 7.179 6.136 854 HB3 PHE 101 HB3 PHE 101 0.232 5.933 4.961 855 HD1 PHE 101 HD1 PHE 101 -2.367 6.326 4.088 856 HD2 PHE 101 HD2 PHE 101 0.414 9.300 5.325 857 HE1 PHE 101 HE1 PHE 101 -3.554 7.996 2.728 858 HE2 PHE 101 HE2 PHE 101 -0.770 10.977 3.967 859 HZ PHE 101 HZ PHE 101 -2.757 10.325 2.665 860 H GLU 102 H GLU 102 0.276 6.223 8.807 861 HA GLU 102 HA GLU 102 1.938 3.985 8.682 862 HB2 GLU 102 HB2 GLU 102 1.742 6.122 10.341 863 HB3 GLU 102 HB3 GLU 102 1.112 4.853 11.383 864 HG2 GLU 102 HG2 GLU 102 3.585 4.170 9.963 865 HG3 GLU 102 HG3 GLU 102 3.729 5.486 11.129 866 H GLU 103 H GLU 103 -1.271 4.389 10.088 867 HA GLU 103 HA GLU 103 -1.332 1.711 11.150 868 HB2 GLU 103 HB2 GLU 103 -2.742 4.040 11.658 869 HB3 GLU 103 HB3 GLU 103 -3.921 3.030 10.834 870 HG2 GLU 103 HG2 GLU 103 -2.423 1.609 12.889 871 HG3 GLU 103 HG3 GLU 103 -3.344 2.977 13.510 872 H LEU 104 H LEU 104 -2.299 3.347 8.238 873 HA LEU 104 HA LEU 104 -4.112 1.434 7.235 874 HB2 LEU 104 HB2 LEU 104 -3.583 3.854 6.445 875 HB3 LEU 104 HB3 LEU 104 -2.338 3.092 5.476 876 HG LEU 104 HG LEU 104 -5.299 2.522 5.310 877 HD11 LEU 104 HD11 LEU 104 -3.773 3.604 3.027 878 HD12 LEU 104 HD12 LEU 104 -4.079 4.711 4.365 879 HD13 LEU 104 HD13 LEU 104 -5.428 3.925 3.543 880 HD21 LEU 104 HD21 LEU 104 -4.233 0.510 4.750 881 HD22 LEU 104 HD22 LEU 104 -2.920 1.336 3.913 882 HD23 LEU 104 HD23 LEU 104 -4.534 1.301 3.204 883 H TYR 105 H TYR 105 -0.634 1.907 6.659 884 HA TYR 105 HA TYR 105 -0.404 -0.417 5.015 885 HB2 TYR 105 HB2 TYR 105 1.723 0.280 4.615 886 HB3 TYR 105 HB3 TYR 105 1.112 1.786 5.288 887 HD1 TYR 105 HD1 TYR 105 1.588 2.318 7.701 888 HD2 TYR 105 HD2 TYR 105 3.472 -0.909 5.667 889 HE1 TYR 105 HE1 TYR 105 3.340 2.261 9.427 890 HE2 TYR 105 HE2 TYR 105 5.227 -0.976 7.388 891 HH TYR 105 HH TYR 105 6.173 1.006 9.134 892 H LYS 106 H LYS 106 -0.519 0.076 8.385 893 HA LYS 106 HA LYS 106 1.074 -2.203 9.116 894 HB2 LYS 106 HB2 LYS 106 0.610 -0.090 10.518 895 HB3 LYS 106 HB3 LYS 106 -0.932 -0.845 10.898 896 HG2 LYS 106 HG2 LYS 106 0.036 -1.998 12.515 897 HG3 LYS 106 HG3 LYS 106 1.080 -2.782 11.329 898 HD2 LYS 106 HD2 LYS 106 2.777 -1.798 12.403 899 HD3 LYS 106 HD3 LYS 106 2.240 -0.304 11.634 900 HE2 LYS 106 HE2 LYS 106 1.621 -1.312 14.397 901 HE3 LYS 106 HE3 LYS 106 2.430 0.184 13.935 902 HZ1 LYS 106 HZ1 LYS 106 0.284 0.828 14.513 903 HZ2 LYS 106 HZ2 LYS 106 -0.440 -0.487 13.733 904 HZ3 LYS 106 HZ3 LYS 106 0.234 0.771 12.824 905 H TYR 107 H TYR 107 -2.417 -1.469 9.134 906 HA TYR 107 HA TYR 107 -3.185 -4.065 9.967 907 HB2 TYR 107 HB2 TYR 107 -5.371 -3.332 9.794 908 HB3 TYR 107 HB3 TYR 107 -4.517 -1.808 9.990 909 HD1 TYR 107 HD1 TYR 107 -6.076 -4.044 7.473 910 HD2 TYR 107 HD2 TYR 107 -4.661 -0.127 8.339 911 HE1 TYR 107 HE1 TYR 107 -7.099 -3.221 5.393 912 HE2 TYR 107 HE2 TYR 107 -5.682 0.708 6.262 913 HH TYR 107 HH TYR 107 -6.552 -1.102 3.785 914 H ALA 108 H ALA 108 -2.537 -2.639 6.853 915 HA ALA 108 HA ALA 108 -3.810 -4.495 5.193 916 HB1 ALA 108 HB1 ALA 108 -1.330 -2.844 4.748 917 HB2 ALA 108 HB2 ALA 108 -2.981 -2.462 4.261 918 HB3 ALA 108 HB3 ALA 108 -2.119 -3.790 3.488 919 H LEU 109 H LEU 109 -0.615 -4.544 6.698 920 HA LEU 109 HA LEU 109 0.135 -7.021 5.433 921 HB2 LEU 109 HB2 LEU 109 1.477 -5.792 7.825 922 HB3 LEU 109 HB3 LEU 109 2.179 -6.832 6.601 923 HG LEU 109 HG LEU 109 1.116 -4.208 5.701 924 HD11 LEU 109 HD11 LEU 109 2.306 -3.657 7.779 925 HD12 LEU 109 HD12 LEU 109 3.135 -3.039 6.351 926 HD13 LEU 109 HD13 LEU 109 3.737 -4.484 7.165 927 HD21 LEU 109 HD21 LEU 109 2.670 -4.427 4.016 928 HD22 LEU 109 HD22 LEU 109 2.271 -6.113 4.342 929 HD23 LEU 109 HD23 LEU 109 3.752 -5.415 4.995 930 H ASN 110 H ASN 110 -1.165 -5.999 8.530 931 HA ASN 110 HA ASN 110 -0.778 -8.357 9.981 932 HB2 ASN 110 HB2 ASN 110 -1.815 -5.933 10.571 933 HB3 ASN 110 HB3 ASN 110 -3.296 -6.879 10.472 934 HD21 ASN 110 HD21 ASN 110 -2.932 -9.149 11.581 935 HD22 ASN 110 HD22 ASN 110 -2.307 -9.046 13.187 936 H GLU 111 H GLU 111 -3.112 -7.529 7.536 937 HA GLU 111 HA GLU 111 -5.101 -9.410 8.042 938 HB2 GLU 111 HB2 GLU 111 -4.096 -8.232 5.455 939 HB3 GLU 111 HB3 GLU 111 -5.492 -9.296 5.533 940 HG2 GLU 111 HG2 GLU 111 -5.330 -6.814 7.199 941 HG3 GLU 111 HG3 GLU 111 -5.886 -6.770 5.527 942 H ASN 112 H ASN 112 -1.940 -9.785 6.612 943 HA ASN 112 HA ASN 112 -2.314 -12.293 5.390 944 HB2 ASN 112 HB2 ASN 112 0.046 -10.722 6.324 945 HB3 ASN 112 HB3 ASN 112 0.280 -12.424 5.935 946 HD21 ASN 112 HD21 ASN 112 -1.702 -9.854 4.504 947 HD22 ASN 112 HD22 ASN 112 -1.069 -10.021 2.905 948 H SER 113 H SER 113 -1.647 -11.356 8.693 949 HA SER 113 HA SER 113 -2.268 -14.037 9.590 950 HB2 SER 113 HB2 SER 113 -0.141 -13.930 11.104 951 HB3 SER 113 HB3 SER 113 0.016 -14.480 9.436 952 HG SER 113 HG SER 113 0.479 -11.827 10.331 953 H ASN 114 H ASN 114 -3.900 -13.487 10.899 954 HA ASN 114 HA ASN 114 -3.308 -11.642 13.103 955 HB2 ASN 114 HB2 ASN 114 -5.644 -10.740 12.901 956 HB3 ASN 114 HB3 ASN 114 -4.571 -10.290 11.578 957 HD21 ASN 114 HD21 ASN 114 -7.325 -12.164 12.531 958 HD22 ASN 114 HD22 ASN 114 -7.855 -12.575 10.938 959 H ASP 115 H ASP 115 -3.408 -14.564 12.894 960 HA ASP 115 HA ASP 115 -4.785 -15.137 15.270 961 HB2 ASP 115 HB2 ASP 115 -6.753 -14.863 13.725 962 HB3 ASP 115 HB3 ASP 115 -6.164 -16.257 12.825 963 H ARG 116 H ARG 116 -3.267 -16.467 16.025 964 HA ARG 116 HA ARG 116 -2.236 -18.580 14.260 965 HB2 ARG 116 HB2 ARG 116 -1.065 -17.028 16.512 966 HB3 ARG 116 HB3 ARG 116 -0.543 -18.697 16.323 967 HG2 ARG 116 HG2 ARG 116 1.022 -17.432 15.135 968 HG3 ARG 116 HG3 ARG 116 -0.046 -18.103 13.901 969 HD2 ARG 116 HD2 ARG 116 -0.717 -16.078 13.244 970 HD3 ARG 116 HD3 ARG 116 -0.981 -15.541 14.903 971 HE ARG 116 HE ARG 116 1.062 -14.516 14.856 972 HH11 ARG 116 HH11 ARG 116 0.888 -16.784 12.209 973 HH12 ARG 116 HH12 ARG 116 2.379 -16.260 11.500 974 HH21 ARG 116 HH21 ARG 116 3.022 -13.828 13.925 975 HH22 ARG 116 HH22 ARG 116 3.591 -14.583 12.473 976 H SER 117 H SER 117 -2.339 -18.408 17.799 977 HA SER 117 HA SER 117 -2.954 -19.961 19.354 978 HB2 SER 117 HB2 SER 117 -5.304 -20.951 18.860 979 HB3 SER 117 HB3 SER 117 -5.153 -19.210 19.081 980 HG SER 117 HG SER 117 -5.395 -18.900 16.939 981 H GLU 118 H GLU 118 -1.279 -20.922 17.156 982 HA GLU 118 HA GLU 118 -2.109 -23.749 17.094 983 HB2 GLU 118 HB2 GLU 118 -0.746 -23.988 15.078 984 HB3 GLU 118 HB3 GLU 118 -1.965 -22.737 14.868 985 HG2 GLU 118 HG2 GLU 118 0.100 -21.249 15.744 986 HG3 GLU 118 HG3 GLU 118 0.968 -22.539 14.913 987 H HIS 119 H HIS 119 -0.225 -25.296 16.971 988 HA HIS 119 HA HIS 119 2.313 -24.533 17.975 989 HB2 HIS 119 HB2 HIS 119 2.060 -25.814 20.172 990 HB3 HIS 119 HB3 HIS 119 1.319 -24.220 20.097 991 HD1 HIS 119 HD1 HIS 119 0.458 -27.870 20.199 992 HD2 HIS 119 HD2 HIS 119 -1.453 -24.182 20.323 993 HE1 HIS 119 HE1 HIS 119 -1.915 -28.365 20.871 994 HE2 HIS 119 HE2 HIS 119 -3.072 -26.126 20.856 995 H HIS 120 H HIS 120 -0.081 -27.131 17.747 996 HA HIS 120 HA HIS 120 2.007 -29.120 17.387 997 HB2 HIS 120 HB2 HIS 120 -0.435 -29.273 18.558 998 HB3 HIS 120 HB3 HIS 120 -0.819 -29.881 16.953 999 HD1 HIS 120 HD1 HIS 120 2.510 -30.930 17.415 1000 HD2 HIS 120 HD2 HIS 120 -1.136 -32.177 18.974 1001 HE1 HIS 120 HE1 HIS 120 2.898 -33.270 18.244 1002 HE2 HIS 120 HE2 HIS 120 0.701 -33.976 19.252 1003 H LYS 121 H LYS 121 2.033 -30.548 15.531 1004 HA LYS 121 HA LYS 121 1.424 -29.091 13.072 1005 HB2 LYS 121 HB2 LYS 121 3.698 -30.291 13.763 1006 HB3 LYS 121 HB3 LYS 121 2.897 -31.678 13.037 1007 HG2 LYS 121 HG2 LYS 121 2.491 -30.155 11.023 1008 HG3 LYS 121 HG3 LYS 121 3.695 -29.092 11.754 1009 HD2 LYS 121 HD2 LYS 121 5.361 -30.811 11.661 1010 HD3 LYS 121 HD3 LYS 121 4.170 -32.007 11.149 1011 HE2 LYS 121 HE2 LYS 121 4.920 -31.521 9.086 1012 HE3 LYS 121 HE3 LYS 121 3.852 -30.127 9.232 1013 HZ1 LYS 121 HZ1 LYS 121 6.428 -29.935 8.630 1014 HZ2 LYS 121 HZ2 LYS 121 6.529 -29.801 10.315 1015 HZ3 LYS 121 HZ3 LYS 121 5.577 -28.716 9.433 1016 H LYS 122 H LYS 122 0.193 -29.930 11.410 1017 HA LYS 122 HA LYS 122 -1.959 -31.599 12.132 1018 HB2 LYS 122 HB2 LYS 122 -1.143 -30.053 9.833 1019 HB3 LYS 122 HB3 LYS 122 -1.790 -31.608 9.326 1020 HG2 LYS 122 HG2 LYS 122 -3.761 -30.553 9.422 1021 HG3 LYS 122 HG3 LYS 122 -3.641 -30.866 11.154 1022 HD2 LYS 122 HD2 LYS 122 -2.268 -28.435 10.233 1023 HD3 LYS 122 HD3 LYS 122 -4.024 -28.412 10.051 1024 HE2 LYS 122 HE2 LYS 122 -3.337 -29.487 12.616 1025 HE3 LYS 122 HE3 LYS 122 -2.510 -27.949 12.383 1026 HZ1 LYS 122 HZ1 LYS 122 -4.944 -27.331 11.515 1027 HZ2 LYS 122 HZ2 LYS 122 -4.459 -27.140 13.124 1028 HZ3 LYS 122 HZ3 LYS 122 -5.347 -28.504 12.664 1029 HA PRO 123 HA PRO 123 -0.555 -35.686 11.290 1030 HB2 PRO 123 HB2 PRO 123 -2.655 -36.830 10.009 1031 HB3 PRO 123 HB3 PRO 123 -2.682 -36.439 11.732 1032 HG2 PRO 123 HG2 PRO 123 -3.836 -34.918 9.425 1033 HG3 PRO 123 HG3 PRO 123 -4.550 -35.253 11.014 1034 HD2 PRO 123 HD2 PRO 123 -3.405 -32.876 10.401 1035 HD3 PRO 123 HD3 PRO 123 -3.369 -33.558 12.040 1036 H ARG 124 H ARG 124 1.146 -35.251 9.834 1037 HA ARG 124 HA ARG 124 0.491 -35.347 6.978 1038 HB2 ARG 124 HB2 ARG 124 2.060 -33.584 8.090 1039 HB3 ARG 124 HB3 ARG 124 3.250 -34.878 8.058 1040 HG2 ARG 124 HG2 ARG 124 3.613 -33.606 6.115 1041 HG3 ARG 124 HG3 ARG 124 2.790 -35.074 5.585 1042 HD2 ARG 124 HD2 ARG 124 0.677 -33.452 6.061 1043 HD3 ARG 124 HD3 ARG 124 1.885 -32.273 5.553 1044 HE ARG 124 HE ARG 124 0.568 -34.217 3.910 1045 HH11 ARG 124 HH11 ARG 124 3.465 -32.305 4.275 1046 HH12 ARG 124 HH12 ARG 124 3.843 -32.327 2.585 1047 HH21 ARG 124 HH21 ARG 124 1.063 -34.247 1.688 1048 HH22 ARG 124 HH22 ARG 124 2.479 -33.430 1.116 1049 H ILE 125 H ILE 125 0.232 -37.441 6.419 1050 HA ILE 125 HA ILE 125 2.503 -39.245 6.941 1051 HB ILE 125 HB ILE 125 -0.384 -40.119 6.804 1052 HG12 ILE 125 HG12 ILE 125 1.076 -40.402 9.347 1053 HG13 ILE 125 HG13 ILE 125 0.722 -38.740 8.891 1054 HG21 ILE 125 HG21 ILE 125 0.463 -42.257 7.596 1055 HG22 ILE 125 HG22 ILE 125 2.104 -41.611 7.627 1056 HG23 ILE 125 HG23 ILE 125 1.258 -41.794 6.091 1057 HD11 ILE 125 HD11 ILE 125 -1.532 -40.590 8.618 1058 HD12 ILE 125 HD12 ILE 125 -1.464 -38.967 9.305 1059 HD13 ILE 125 HD13 ILE 125 -0.952 -40.353 10.268 1060 H ASP 126 H ASP 126 3.459 -39.852 5.123 1061 HA ASP 126 HA ASP 126 2.416 -39.296 2.558 1062 HB2 ASP 126 HB2 ASP 126 4.893 -39.752 3.458 1063 HB3 ASP 126 HB3 ASP 126 4.534 -41.365 2.850 1064 H ASP 127 H ASP 127 2.427 -41.137 0.836 1065 HA ASP 127 HA ASP 127 1.701 -43.750 1.479 1066 HB2 ASP 127 HB2 ASP 127 -0.327 -42.069 2.231 1067 HB3 ASP 127 HB3 ASP 127 -0.828 -42.525 0.606 1068 H SER 128 H SER 128 1.223 -41.036 -0.712 1069 HA SER 128 HA SER 128 0.638 -42.575 -3.017 1070 HB2 SER 128 HB2 SER 128 0.906 -40.543 -4.253 1071 HB3 SER 128 HB3 SER 128 0.179 -40.105 -2.707 1072 HG SER 128 HG SER 128 1.884 -38.967 -2.257 1073 H SER 129 H SER 129 2.366 -44.214 -2.566 1074 HA SER 129 HA SER 129 4.348 -45.217 -3.061 1075 HB2 SER 129 HB2 SER 129 3.858 -43.324 -5.296 1076 HB3 SER 129 HB3 SER 129 5.478 -44.010 -5.181 1077 HG SER 129 HG SER 129 4.647 -45.706 -6.079 1078 H ASP 130 H ASP 130 6.794 -44.581 -3.734 1079 HA ASP 130 HA ASP 130 7.618 -42.235 -2.182 1080 HB2 ASP 130 HB2 ASP 130 9.435 -43.627 -1.134 1081 HB3 ASP 130 HB3 ASP 130 7.806 -44.013 -0.585 1082 H LEU 131 H LEU 131 9.898 -41.647 -2.559 1083 HA LEU 131 HA LEU 131 10.934 -42.634 -5.126 1084 HB2 LEU 131 HB2 LEU 131 11.035 -39.726 -4.374 1085 HB3 LEU 131 HB3 LEU 131 11.349 -40.456 -5.936 1086 HG LEU 131 HG LEU 131 8.707 -41.147 -5.375 1087 HD11 LEU 131 HD11 LEU 131 8.608 -39.555 -3.562 1088 HD12 LEU 131 HD12 LEU 131 7.645 -38.971 -4.919 1089 HD13 LEU 131 HD13 LEU 131 9.238 -38.282 -4.606 1090 HD21 LEU 131 HD21 LEU 131 9.052 -40.661 -7.560 1091 HD22 LEU 131 HD22 LEU 131 10.147 -39.325 -7.206 1092 HD23 LEU 131 HD23 LEU 131 8.405 -39.098 -7.062 1093 H LEU 132 H LEU 132 13.213 -41.363 -5.427 1094 HA LEU 132 HA LEU 132 15.389 -41.273 -4.771 1095 HB2 LEU 132 HB2 LEU 132 14.190 -39.695 -3.064 1096 HB3 LEU 132 HB3 LEU 132 14.534 -40.977 -1.918 1097 HG LEU 132 HG LEU 132 16.962 -40.773 -2.551 1098 HD11 LEU 132 HD11 LEU 132 16.069 -38.203 -3.842 1099 HD12 LEU 132 HD12 LEU 132 16.539 -39.654 -4.729 1100 HD13 LEU 132 HD13 LEU 132 17.715 -38.820 -3.712 1101 HD21 LEU 132 HD21 LEU 132 17.257 -38.607 -1.298 1102 HD22 LEU 132 HD22 LEU 132 16.264 -39.822 -0.494 1103 HD23 LEU 132 HD23 LEU 132 15.499 -38.457 -1.307 1104 H LYS 133 H LYS 133 17.073 -42.451 -3.612 1105 HA LYS 133 HA LYS 133 18.041 -44.351 -2.816 1106 HB2 LYS 133 HB2 LYS 133 16.049 -43.832 -1.039 1107 HB3 LYS 133 HB3 LYS 133 15.592 -45.440 -1.580 1108 HG2 LYS 133 HG2 LYS 133 17.424 -46.428 -0.652 1109 HG3 LYS 133 HG3 LYS 133 18.419 -44.979 -0.802 1110 HD2 LYS 133 HD2 LYS 133 17.889 -44.298 1.256 1111 HD3 LYS 133 HD3 LYS 133 16.166 -44.554 0.970 1112 HE2 LYS 133 HE2 LYS 133 16.370 -46.172 2.510 1113 HE3 LYS 133 HE3 LYS 133 17.058 -47.113 1.187 1114 HZ1 LYS 133 HZ1 LYS 133 18.361 -45.943 3.502 1115 HZ2 LYS 133 HZ2 LYS 133 19.216 -45.820 2.047 1116 HZ3 LYS 133 HZ3 LYS 133 18.751 -47.339 2.630 1117 H THR 134 H THR 134 18.128 -46.667 -3.145 1118 HA THR 134 HA THR 134 16.563 -47.459 -5.491 1119 HB THR 134 HB THR 134 18.376 -49.393 -5.376 1120 HG1 THR 134 HG1 THR 134 20.335 -48.529 -4.547 1121 HG21 THR 134 HG21 THR 134 19.224 -48.421 -7.173 1122 HG22 THR 134 HG22 THR 134 19.812 -47.047 -6.235 1123 HG23 THR 134 HG23 THR 134 18.157 -47.055 -6.844 1124 H ASP 135 H ASP 135 16.508 -50.085 -5.511 1125 HA ASP 135 HA ASP 135 16.015 -51.453 -3.125 1126 HB2 ASP 135 HB2 ASP 135 14.061 -49.649 -3.358 1127 HB3 ASP 135 HB3 ASP 135 13.369 -50.908 -4.378 1128 H GLU 136 H GLU 136 15.109 -51.042 -6.502 1129 HA GLU 136 HA GLU 136 14.623 -52.536 -8.163 1130 HB2 GLU 136 HB2 GLU 136 16.357 -54.372 -8.340 1131 HB3 GLU 136 HB3 GLU 136 16.979 -52.729 -8.256 1132 HG2 GLU 136 HG2 GLU 136 17.549 -53.022 -5.932 1133 HG3 GLU 136 HG3 GLU 136 16.819 -54.627 -5.925 1134 H ILE 137 H ILE 137 12.573 -53.248 -7.556 1135 HA ILE 137 HA ILE 137 12.521 -55.928 -6.329 1136 HB ILE 137 HB ILE 137 11.522 -54.257 -4.829 1137 HG12 ILE 137 HG12 ILE 137 9.109 -55.690 -5.766 1138 HG13 ILE 137 HG13 ILE 137 10.522 -56.698 -5.464 1139 HG21 ILE 137 HG21 ILE 137 10.001 -52.713 -5.439 1140 HG22 ILE 137 HG22 ILE 137 9.173 -53.810 -6.544 1141 HG23 ILE 137 HG23 ILE 137 10.654 -52.997 -7.052 1142 HD11 ILE 137 HD11 ILE 137 8.687 -55.935 -3.601 1143 HD12 ILE 137 HD12 ILE 137 9.986 -54.771 -3.343 1144 HD13 ILE 137 HD13 ILE 137 10.321 -56.502 -3.255 Start of MODEL 11 1 H1 GLY -2 H1 GLY -2 -2.364 16.018 -15.985 2 H2 GLY -2 H2 GLY -2 -1.342 17.004 -16.906 3 H3 GLY -2 H3 GLY -2 -3.020 17.114 -17.097 4 HA2 GLY -2 HA2 GLY -2 -1.429 18.632 -15.430 5 HA3 GLY -2 HA3 GLY -2 -3.184 18.618 -15.501 6 H HIS -1 H HIS -1 -3.041 19.145 -13.209 7 HA HIS -1 HA HIS -1 -2.372 16.829 -11.524 8 HB2 HIS -1 HB2 HIS -1 -2.430 18.531 -9.647 9 HB3 HIS -1 HB3 HIS -1 -1.129 18.730 -10.817 10 HD1 HIS -1 HD1 HIS -1 -1.551 20.657 -12.659 11 HD2 HIS -1 HD2 HIS -1 -4.004 20.731 -9.306 12 HE1 HIS -1 HE1 HIS -1 -2.556 22.962 -12.612 13 HE2 HIS -1 HE2 HIS -1 -3.981 23.007 -10.535 14 H MET 0 H MET 0 -4.112 15.608 -11.176 15 HA MET 0 HA MET 0 -6.697 16.934 -10.708 16 HB2 MET 0 HB2 MET 0 -6.152 14.972 -12.488 17 HB3 MET 0 HB3 MET 0 -6.613 14.002 -11.095 18 HG2 MET 0 HG2 MET 0 -8.688 14.251 -11.867 19 HG3 MET 0 HG3 MET 0 -8.598 15.852 -11.135 20 HE1 MET 0 HE1 MET 0 -8.390 13.642 -14.057 21 HE2 MET 0 HE2 MET 0 -7.096 14.523 -14.869 22 HE3 MET 0 HE3 MET 0 -8.753 14.644 -15.462 23 H MET 1 H MET 1 -8.080 15.013 -9.394 24 HA MET 1 HA MET 1 -6.913 15.160 -6.753 25 HB2 MET 1 HB2 MET 1 -9.408 15.495 -7.451 26 HB3 MET 1 HB3 MET 1 -9.480 13.742 -7.370 27 HG2 MET 1 HG2 MET 1 -9.019 13.713 -5.076 28 HG3 MET 1 HG3 MET 1 -8.451 15.381 -5.086 29 HE1 MET 1 HE1 MET 1 -10.728 16.319 -2.925 30 HE2 MET 1 HE2 MET 1 -9.776 14.834 -2.963 31 HE3 MET 1 HE3 MET 1 -11.534 14.753 -2.839 32 H SER 2 H SER 2 -7.007 13.225 -5.305 33 HA SER 2 HA SER 2 -5.512 11.094 -6.472 34 HB2 SER 2 HB2 SER 2 -6.494 11.773 -3.738 35 HB3 SER 2 HB3 SER 2 -6.024 10.102 -4.057 36 HG SER 2 HG SER 2 -4.253 11.318 -3.319 37 H LYS 3 H LYS 3 -6.512 9.722 -7.812 38 HA LYS 3 HA LYS 3 -8.988 8.443 -6.857 39 HB2 LYS 3 HB2 LYS 3 -9.665 8.229 -9.251 40 HB3 LYS 3 HB3 LYS 3 -9.614 9.887 -8.668 41 HG2 LYS 3 HG2 LYS 3 -7.550 10.295 -9.798 42 HG3 LYS 3 HG3 LYS 3 -7.389 8.592 -10.226 43 HD2 LYS 3 HD2 LYS 3 -9.843 9.198 -11.258 44 HD3 LYS 3 HD3 LYS 3 -8.970 10.715 -11.488 45 HE2 LYS 3 HE2 LYS 3 -8.227 7.980 -12.502 46 HE3 LYS 3 HE3 LYS 3 -8.643 9.406 -13.448 47 HZ1 LYS 3 HZ1 LYS 3 -6.199 8.983 -11.825 48 HZ2 LYS 3 HZ2 LYS 3 -6.625 10.475 -12.499 49 HZ3 LYS 3 HZ3 LYS 3 -6.299 9.155 -13.504 50 H LEU 4 H LEU 4 -9.382 6.343 -8.189 51 HA LEU 4 HA LEU 4 -8.742 4.204 -8.614 52 HB2 LEU 4 HB2 LEU 4 -6.036 5.226 -9.409 53 HB3 LEU 4 HB3 LEU 4 -6.917 3.849 -10.044 54 HG LEU 4 HG LEU 4 -7.863 6.677 -10.456 55 HD11 LEU 4 HD11 LEU 4 -6.513 5.295 -12.677 56 HD12 LEU 4 HD12 LEU 4 -5.464 5.859 -11.375 57 HD13 LEU 4 HD13 LEU 4 -6.508 7.001 -12.224 58 HD21 LEU 4 HD21 LEU 4 -8.479 4.019 -11.723 59 HD22 LEU 4 HD22 LEU 4 -8.942 5.559 -12.445 60 HD23 LEU 4 HD23 LEU 4 -9.578 5.100 -10.866 61 H PHE 5 H PHE 5 -8.315 5.297 -5.981 62 HA PHE 5 HA PHE 5 -6.468 3.287 -5.001 63 HB2 PHE 5 HB2 PHE 5 -5.046 5.288 -5.349 64 HB3 PHE 5 HB3 PHE 5 -6.102 6.203 -4.276 65 HD1 PHE 5 HD1 PHE 5 -3.595 3.535 -4.471 66 HD2 PHE 5 HD2 PHE 5 -6.004 5.920 -1.901 67 HE1 PHE 5 HE1 PHE 5 -2.259 2.798 -2.542 68 HE2 PHE 5 HE2 PHE 5 -4.671 5.189 0.034 69 HZ PHE 5 HZ PHE 5 -2.794 3.626 -0.285 70 H LEU 6 H LEU 6 -8.262 6.163 -3.877 71 HA LEU 6 HA LEU 6 -8.958 4.975 -1.390 72 HB2 LEU 6 HB2 LEU 6 -9.871 7.431 -2.854 73 HB3 LEU 6 HB3 LEU 6 -10.636 6.933 -1.357 74 HG LEU 6 HG LEU 6 -8.063 6.899 -0.567 75 HD11 LEU 6 HD11 LEU 6 -7.969 9.390 -2.137 76 HD12 LEU 6 HD12 LEU 6 -7.719 7.896 -3.042 77 HD13 LEU 6 HD13 LEU 6 -6.674 8.285 -1.675 78 HD21 LEU 6 HD21 LEU 6 -9.387 8.109 0.816 79 HD22 LEU 6 HD22 LEU 6 -10.221 8.921 -0.511 80 HD23 LEU 6 HD23 LEU 6 -8.613 9.456 -0.020 81 H ASP 7 H ASP 7 -10.170 4.519 -4.506 82 HA ASP 7 HA ASP 7 -12.910 4.037 -3.780 83 HB2 ASP 7 HB2 ASP 7 -11.543 4.474 -6.170 84 HB3 ASP 7 HB3 ASP 7 -12.070 2.797 -6.273 85 H GLU 8 H GLU 8 -9.981 2.182 -3.965 86 HA GLU 8 HA GLU 8 -11.225 -0.387 -4.047 87 HB2 GLU 8 HB2 GLU 8 -8.435 0.309 -3.119 88 HB3 GLU 8 HB3 GLU 8 -9.010 -1.273 -3.624 89 HG2 GLU 8 HG2 GLU 8 -9.584 0.339 -5.785 90 HG3 GLU 8 HG3 GLU 8 -8.034 0.949 -5.209 91 H LEU 9 H LEU 9 -9.203 0.982 -1.448 92 HA LEU 9 HA LEU 9 -10.111 -0.751 0.541 93 HB2 LEU 9 HB2 LEU 9 -9.297 1.118 2.114 94 HB3 LEU 9 HB3 LEU 9 -8.133 0.341 1.059 95 HG LEU 9 HG LEU 9 -8.136 2.233 -0.439 96 HD11 LEU 9 HD11 LEU 9 -10.459 3.104 1.222 97 HD12 LEU 9 HD12 LEU 9 -10.282 3.070 -0.531 98 HD13 LEU 9 HD13 LEU 9 -9.452 4.306 0.414 99 HD21 LEU 9 HD21 LEU 9 -7.648 4.064 1.444 100 HD22 LEU 9 HD22 LEU 9 -6.539 2.743 1.082 101 HD23 LEU 9 HD23 LEU 9 -7.644 2.616 2.451 102 HA PRO 10 HA PRO 10 -14.051 0.462 2.059 103 HB2 PRO 10 HB2 PRO 10 -12.732 1.262 4.619 104 HB3 PRO 10 HB3 PRO 10 -14.137 0.223 4.355 105 HG2 PRO 10 HG2 PRO 10 -11.770 -0.837 4.939 106 HG3 PRO 10 HG3 PRO 10 -12.840 -1.605 3.753 107 HD2 PRO 10 HD2 PRO 10 -10.357 -0.019 3.319 108 HD3 PRO 10 HD3 PRO 10 -11.000 -1.390 2.391 109 H GLU 11 H GLU 11 -15.335 2.268 2.208 110 HA GLU 11 HA GLU 11 -14.132 4.776 1.547 111 HB2 GLU 11 HB2 GLU 11 -16.461 5.624 1.563 112 HB3 GLU 11 HB3 GLU 11 -16.264 4.185 0.572 113 HG2 GLU 11 HG2 GLU 11 -17.560 2.910 1.915 114 HG3 GLU 11 HG3 GLU 11 -17.077 3.764 3.380 115 H SER 12 H SER 12 -15.344 3.297 4.460 116 HA SER 12 HA SER 12 -15.788 5.538 6.047 117 HB2 SER 12 HB2 SER 12 -14.575 2.962 7.058 118 HB3 SER 12 HB3 SER 12 -15.617 4.085 7.932 119 HG SER 12 HG SER 12 -16.279 2.041 6.255 120 H LEU 13 H LEU 13 -12.784 3.791 5.385 121 HA LEU 13 HA LEU 13 -11.228 5.482 7.121 122 HB2 LEU 13 HB2 LEU 13 -10.718 3.152 5.365 123 HB3 LEU 13 HB3 LEU 13 -9.364 4.232 5.638 124 HG LEU 13 HG LEU 13 -10.948 2.975 7.873 125 HD11 LEU 13 HD11 LEU 13 -8.601 1.691 7.957 126 HD12 LEU 13 HD12 LEU 13 -8.750 1.913 6.214 127 HD13 LEU 13 HD13 LEU 13 -10.014 1.067 7.107 128 HD21 LEU 13 HD21 LEU 13 -9.494 3.949 9.308 129 HD22 LEU 13 HD22 LEU 13 -9.359 5.126 8.001 130 HD23 LEU 13 HD23 LEU 13 -8.145 3.859 8.176 131 H SER 14 H SER 14 -11.768 5.165 3.645 132 HA SER 14 HA SER 14 -9.843 6.924 2.701 133 HB2 SER 14 HB2 SER 14 -11.144 7.084 0.694 134 HB3 SER 14 HB3 SER 14 -11.360 5.451 1.321 135 HG SER 14 HG SER 14 -13.340 6.439 0.684 136 H ARG 15 H ARG 15 -12.773 7.590 4.418 137 HA ARG 15 HA ARG 15 -13.180 10.260 3.616 138 HB2 ARG 15 HB2 ARG 15 -14.486 8.477 5.256 139 HB3 ARG 15 HB3 ARG 15 -13.887 9.673 6.397 140 HG2 ARG 15 HG2 ARG 15 -15.276 11.283 5.649 141 HG3 ARG 15 HG3 ARG 15 -15.187 10.734 3.973 142 HD2 ARG 15 HD2 ARG 15 -16.890 9.232 4.230 143 HD3 ARG 15 HD3 ARG 15 -16.561 8.987 5.945 144 HE ARG 15 HE ARG 15 -17.550 11.613 5.320 145 HH11 ARG 15 HH11 ARG 15 -18.443 8.325 6.076 146 HH12 ARG 15 HH12 ARG 15 -20.007 8.756 6.679 147 HH21 ARG 15 HH21 ARG 15 -19.606 12.182 6.115 148 HH22 ARG 15 HH22 ARG 15 -20.668 10.946 6.701 149 H LYS 16 H LYS 16 -11.475 8.906 6.433 150 HA LYS 16 HA LYS 16 -10.547 11.476 7.304 151 HB2 LYS 16 HB2 LYS 16 -9.779 8.671 8.126 152 HB3 LYS 16 HB3 LYS 16 -9.157 10.125 8.895 153 HG2 LYS 16 HG2 LYS 16 -11.155 10.612 9.909 154 HG3 LYS 16 HG3 LYS 16 -12.104 9.753 8.694 155 HD2 LYS 16 HD2 LYS 16 -12.151 8.524 10.775 156 HD3 LYS 16 HD3 LYS 16 -11.230 7.614 9.576 157 HE2 LYS 16 HE2 LYS 16 -9.148 8.381 10.553 158 HE3 LYS 16 HE3 LYS 16 -10.030 9.389 11.699 159 HZ1 LYS 16 HZ1 LYS 16 -10.326 6.442 11.565 160 HZ2 LYS 16 HZ2 LYS 16 -10.886 7.481 12.778 161 HZ3 LYS 16 HZ3 LYS 16 -9.227 7.216 12.591 162 H ILE 17 H ILE 17 -9.319 8.925 5.266 163 HA ILE 17 HA ILE 17 -6.610 9.870 5.263 164 HB ILE 17 HB ILE 17 -7.957 8.032 3.280 165 HG12 ILE 17 HG12 ILE 17 -6.244 7.209 5.621 166 HG13 ILE 17 HG13 ILE 17 -7.995 7.343 5.749 167 HG21 ILE 17 HG21 ILE 17 -6.024 8.448 2.193 168 HG22 ILE 17 HG22 ILE 17 -5.379 7.267 3.335 169 HG23 ILE 17 HG23 ILE 17 -5.195 8.993 3.652 170 HD11 ILE 17 HD11 ILE 17 -8.095 5.742 3.778 171 HD12 ILE 17 HD12 ILE 17 -7.581 5.086 5.331 172 HD13 ILE 17 HD13 ILE 17 -6.385 5.445 4.086 173 H GLY 18 H GLY 18 -9.297 9.980 2.923 174 HA2 GLY 18 HA2 GLY 18 -7.975 11.467 0.949 175 HA3 GLY 18 HA3 GLY 18 -9.716 11.405 1.172 176 H THR 19 H THR 19 -9.228 12.432 4.004 177 HA THR 19 HA THR 19 -9.625 15.188 3.395 178 HB THR 19 HB THR 19 -9.162 15.057 6.121 179 HG1 THR 19 HG1 THR 19 -9.317 13.065 6.694 180 HG21 THR 19 HG21 THR 19 -11.507 15.140 6.414 181 HG22 THR 19 HG22 THR 19 -11.795 14.388 4.845 182 HG23 THR 19 HG23 THR 19 -11.137 16.024 4.932 183 H VAL 20 H VAL 20 -7.006 13.371 4.968 184 HA VAL 20 HA VAL 20 -5.346 15.715 5.219 185 HB VAL 20 HB VAL 20 -4.431 12.862 5.531 186 HG11 VAL 20 HG11 VAL 20 -3.087 14.193 7.379 187 HG12 VAL 20 HG12 VAL 20 -3.405 15.543 6.291 188 HG13 VAL 20 HG13 VAL 20 -2.539 14.125 5.704 189 HG21 VAL 20 HG21 VAL 20 -6.241 14.457 7.233 190 HG22 VAL 20 HG22 VAL 20 -4.938 13.606 8.063 191 HG23 VAL 20 HG23 VAL 20 -6.085 12.708 7.068 192 H VAL 21 H VAL 21 -5.595 12.958 3.045 193 HA VAL 21 HA VAL 21 -3.174 13.187 1.698 194 HB VAL 21 HB VAL 21 -5.855 12.351 0.575 195 HG11 VAL 21 HG11 VAL 21 -4.185 12.957 -1.165 196 HG12 VAL 21 HG12 VAL 21 -4.654 11.258 -1.195 197 HG13 VAL 21 HG13 VAL 21 -3.105 11.734 -0.498 198 HG21 VAL 21 HG21 VAL 21 -4.545 11.161 2.595 199 HG22 VAL 21 HG22 VAL 21 -3.762 10.375 1.226 200 HG23 VAL 21 HG23 VAL 21 -5.512 10.279 1.414 201 H ARG 22 H ARG 22 -6.091 15.094 1.451 202 HA ARG 22 HA ARG 22 -5.735 16.335 -1.005 203 HB2 ARG 22 HB2 ARG 22 -6.968 17.243 1.579 204 HB3 ARG 22 HB3 ARG 22 -6.869 18.339 0.207 205 HG2 ARG 22 HG2 ARG 22 -8.307 17.042 -1.090 206 HG3 ARG 22 HG3 ARG 22 -8.089 15.618 -0.070 207 HD2 ARG 22 HD2 ARG 22 -10.268 16.583 0.332 208 HD3 ARG 22 HD3 ARG 22 -9.255 16.782 1.761 209 HE ARG 22 HE ARG 22 -9.232 19.039 -0.028 210 HH11 ARG 22 HH11 ARG 22 -10.827 17.541 2.690 211 HH12 ARG 22 HH12 ARG 22 -11.494 19.027 3.277 212 HH21 ARG 22 HH21 ARG 22 -10.108 20.994 0.743 213 HH22 ARG 22 HH22 ARG 22 -11.085 20.987 2.172 214 H VAL 23 H VAL 23 -4.104 16.833 2.030 215 HA VAL 23 HA VAL 23 -2.860 19.309 1.329 216 HB VAL 23 HB VAL 23 -2.106 17.292 3.453 217 HG11 VAL 23 HG11 VAL 23 -0.362 18.563 3.982 218 HG12 VAL 23 HG12 VAL 23 -1.370 20.009 4.038 219 HG13 VAL 23 HG13 VAL 23 -0.649 19.494 2.513 220 HG21 VAL 23 HG21 VAL 23 -4.114 19.451 3.317 221 HG22 VAL 23 HG22 VAL 23 -3.174 19.348 4.805 222 HG23 VAL 23 HG23 VAL 23 -4.110 17.957 4.255 223 H LEU 24 H LEU 24 -1.766 15.926 1.457 224 HA LEU 24 HA LEU 24 0.467 16.672 -0.316 225 HB2 LEU 24 HB2 LEU 24 0.386 15.017 2.131 226 HB3 LEU 24 HB3 LEU 24 1.384 14.416 0.821 227 HG LEU 24 HG LEU 24 2.632 15.774 2.477 228 HD11 LEU 24 HD11 LEU 24 3.912 15.877 0.645 229 HD12 LEU 24 HD12 LEU 24 3.314 17.530 0.504 230 HD13 LEU 24 HD13 LEU 24 2.544 16.233 -0.409 231 HD21 LEU 24 HD21 LEU 24 0.467 17.427 2.446 232 HD22 LEU 24 HD22 LEU 24 1.611 18.316 1.440 233 HD23 LEU 24 HD23 LEU 24 2.054 17.853 3.083 234 HA PRO 25 HA PRO 25 -2.327 13.539 -2.408 235 HB2 PRO 25 HB2 PRO 25 -2.303 14.849 -4.813 236 HB3 PRO 25 HB3 PRO 25 -3.524 15.113 -3.563 237 HG2 PRO 25 HG2 PRO 25 -1.086 16.725 -4.201 238 HG3 PRO 25 HG3 PRO 25 -2.719 17.280 -3.788 239 HD2 PRO 25 HD2 PRO 25 -0.717 17.278 -1.987 240 HD3 PRO 25 HD3 PRO 25 -2.397 16.939 -1.523 241 H SER 26 H SER 26 0.739 15.036 -2.955 242 HA SER 26 HA SER 26 1.530 13.110 -4.986 243 HB2 SER 26 HB2 SER 26 2.196 15.626 -4.899 244 HB3 SER 26 HB3 SER 26 3.386 15.100 -3.709 245 HG SER 26 HG SER 26 4.028 13.518 -5.370 246 H SER 27 H SER 27 2.267 13.939 -1.620 247 HA SER 27 HA SER 27 4.357 12.098 -1.251 248 HB2 SER 27 HB2 SER 27 4.351 12.799 0.911 249 HB3 SER 27 HB3 SER 27 3.251 14.031 0.299 250 HG SER 27 HG SER 27 2.678 12.586 2.234 251 H LEU 28 H LEU 28 0.886 11.739 -1.211 252 HA LEU 28 HA LEU 28 0.628 9.302 0.110 253 HB2 LEU 28 HB2 LEU 28 -1.092 11.006 -1.070 254 HB3 LEU 28 HB3 LEU 28 -1.069 9.735 -2.276 255 HG LEU 28 HG LEU 28 -2.052 9.629 0.551 256 HD11 LEU 28 HD11 LEU 28 -4.068 9.295 -0.378 257 HD12 LEU 28 HD12 LEU 28 -3.429 8.233 -1.632 258 HD13 LEU 28 HD13 LEU 28 -3.320 9.982 -1.819 259 HD21 LEU 28 HD21 LEU 28 -0.659 7.722 0.532 260 HD22 LEU 28 HD22 LEU 28 -1.108 7.316 -1.125 261 HD23 LEU 28 HD23 LEU 28 -2.282 7.132 0.178 262 H GLU 29 H GLU 29 1.463 9.994 -3.245 263 HA GLU 29 HA GLU 29 1.247 7.477 -4.364 264 HB2 GLU 29 HB2 GLU 29 1.909 9.762 -5.416 265 HB3 GLU 29 HB3 GLU 29 3.556 9.260 -5.057 266 HG2 GLU 29 HG2 GLU 29 3.582 7.703 -6.681 267 HG3 GLU 29 HG3 GLU 29 1.888 7.276 -6.450 268 H ILE 30 H ILE 30 3.893 8.815 -2.443 269 HA ILE 30 HA ILE 30 5.633 6.589 -2.835 270 HB ILE 30 HB ILE 30 5.689 8.659 -0.634 271 HG12 ILE 30 HG12 ILE 30 7.683 9.365 -2.308 272 HG13 ILE 30 HG13 ILE 30 6.554 8.679 -3.472 273 HG21 ILE 30 HG21 ILE 30 8.231 7.536 -1.459 274 HG22 ILE 30 HG22 ILE 30 7.131 6.301 -0.847 275 HG23 ILE 30 HG23 ILE 30 7.536 7.695 0.153 276 HD11 ILE 30 HD11 ILE 30 6.504 11.227 -2.165 277 HD12 ILE 30 HD12 ILE 30 5.024 10.333 -1.826 278 HD13 ILE 30 HD13 ILE 30 5.512 10.626 -3.495 279 H PHE 31 H PHE 31 3.191 7.434 -0.458 280 HA PHE 31 HA PHE 31 3.868 5.383 1.400 281 HB2 PHE 31 HB2 PHE 31 1.346 7.006 1.033 282 HB3 PHE 31 HB3 PHE 31 1.605 5.883 2.365 283 HD1 PHE 31 HD1 PHE 31 4.395 6.394 3.068 284 HD2 PHE 31 HD2 PHE 31 1.302 9.110 1.991 285 HE1 PHE 31 HE1 PHE 31 5.517 8.171 4.346 286 HE2 PHE 31 HE2 PHE 31 2.419 10.893 3.266 287 HZ PHE 31 HZ PHE 31 4.528 10.425 4.446 288 H GLU 32 H GLU 32 1.436 5.657 -1.174 289 HA GLU 32 HA GLU 32 0.108 3.250 -0.728 290 HB2 GLU 32 HB2 GLU 32 -0.470 3.354 -3.168 291 HB3 GLU 32 HB3 GLU 32 -0.825 4.822 -2.266 292 HG2 GLU 32 HG2 GLU 32 1.121 5.904 -3.157 293 HG3 GLU 32 HG3 GLU 32 1.642 4.412 -3.939 294 H GLU 33 H GLU 33 3.028 3.920 -2.606 295 HA GLU 33 HA GLU 33 3.320 1.216 -3.508 296 HB2 GLU 33 HB2 GLU 33 4.673 3.759 -3.902 297 HB3 GLU 33 HB3 GLU 33 5.821 2.442 -3.694 298 HG2 GLU 33 HG2 GLU 33 5.555 2.077 -5.868 299 HG3 GLU 33 HG3 GLU 33 3.995 1.376 -5.439 300 H LEU 34 H LEU 34 4.364 3.072 -0.756 301 HA LEU 34 HA LEU 34 6.469 1.431 0.128 302 HB2 LEU 34 HB2 LEU 34 5.694 3.783 0.922 303 HB3 LEU 34 HB3 LEU 34 4.651 2.890 2.011 304 HG LEU 34 HG LEU 34 7.664 2.733 1.920 305 HD11 LEU 34 HD11 LEU 34 7.740 4.126 3.715 306 HD12 LEU 34 HD12 LEU 34 6.142 3.653 4.293 307 HD13 LEU 34 HD13 LEU 34 6.295 4.765 2.932 308 HD21 LEU 34 HD21 LEU 34 7.121 0.631 2.658 309 HD22 LEU 34 HD22 LEU 34 5.589 1.153 3.359 310 HD23 LEU 34 HD23 LEU 34 7.105 1.518 4.182 311 H TYR 35 H TYR 35 3.024 1.475 1.027 312 HA TYR 35 HA TYR 35 3.224 -0.776 2.746 313 HB2 TYR 35 HB2 TYR 35 0.963 -0.514 3.127 314 HB3 TYR 35 HB3 TYR 35 1.394 1.103 2.585 315 HD1 TYR 35 HD1 TYR 35 -0.050 -2.118 1.406 316 HD2 TYR 35 HD2 TYR 35 0.304 2.070 0.765 317 HE1 TYR 35 HE1 TYR 35 -1.779 -2.246 -0.339 318 HE2 TYR 35 HE2 TYR 35 -1.421 1.956 -0.983 319 HH TYR 35 HH TYR 35 -3.335 0.455 -1.587 320 H LYS 36 H LYS 36 2.639 -0.383 -0.669 321 HA LYS 36 HA LYS 36 1.684 -3.043 -1.113 322 HB2 LYS 36 HB2 LYS 36 2.814 -0.993 -3.027 323 HB3 LYS 36 HB3 LYS 36 2.068 -2.510 -3.514 324 HG2 LYS 36 HG2 LYS 36 0.504 -0.699 -1.762 325 HG3 LYS 36 HG3 LYS 36 0.723 -0.240 -3.451 326 HD2 LYS 36 HD2 LYS 36 -0.036 -3.045 -3.017 327 HD3 LYS 36 HD3 LYS 36 -1.255 -1.863 -2.535 328 HE2 LYS 36 HE2 LYS 36 -1.861 -1.750 -4.672 329 HE3 LYS 36 HE3 LYS 36 -0.320 -0.958 -4.996 330 HZ1 LYS 36 HZ1 LYS 36 -0.636 -3.904 -4.990 331 HZ2 LYS 36 HZ2 LYS 36 0.662 -3.000 -5.592 332 HZ3 LYS 36 HZ3 LYS 36 -0.832 -2.966 -6.385 333 H TYR 37 H TYR 37 4.807 -1.473 -1.096 334 HA TYR 37 HA TYR 37 6.256 -3.553 -2.373 335 HB2 TYR 37 HB2 TYR 37 7.191 -1.329 -2.275 336 HB3 TYR 37 HB3 TYR 37 7.141 -1.336 -0.516 337 HD1 TYR 37 HD1 TYR 37 8.694 -2.828 0.748 338 HD2 TYR 37 HD2 TYR 37 9.015 -2.289 -3.460 339 HE1 TYR 37 HE1 TYR 37 10.985 -3.716 0.815 340 HE2 TYR 37 HE2 TYR 37 11.307 -3.177 -3.405 341 HH TYR 37 HH TYR 37 13.153 -3.348 -0.865 342 H ALA 38 H ALA 38 5.589 -2.778 1.016 343 HA ALA 38 HA ALA 38 7.150 -4.964 2.026 344 HB1 ALA 38 HB1 ALA 38 6.958 -3.084 3.444 345 HB2 ALA 38 HB2 ALA 38 6.010 -4.366 4.198 346 HB3 ALA 38 HB3 ALA 38 5.199 -3.074 3.314 347 H LEU 39 H LEU 39 3.834 -4.484 1.073 348 HA LEU 39 HA LEU 39 2.609 -6.589 2.436 349 HB2 LEU 39 HB2 LEU 39 1.957 -4.802 0.285 350 HB3 LEU 39 HB3 LEU 39 1.412 -6.418 -0.116 351 HG LEU 39 HG LEU 39 0.647 -4.811 2.320 352 HD11 LEU 39 HD11 LEU 39 -0.751 -3.985 0.741 353 HD12 LEU 39 HD12 LEU 39 -1.657 -5.444 1.142 354 HD13 LEU 39 HD13 LEU 39 -0.620 -5.415 -0.284 355 HD21 LEU 39 HD21 LEU 39 -0.981 -6.847 2.526 356 HD22 LEU 39 HD22 LEU 39 0.650 -6.938 3.192 357 HD23 LEU 39 HD23 LEU 39 0.287 -7.693 1.639 358 H ASN 40 H ASN 40 4.499 -6.556 -0.524 359 HA ASN 40 HA ASN 40 3.907 -9.269 -1.230 360 HB2 ASN 40 HB2 ASN 40 5.750 -7.147 -2.234 361 HB3 ASN 40 HB3 ASN 40 6.093 -8.819 -2.669 362 HD21 ASN 40 HD21 ASN 40 3.165 -6.833 -2.359 363 HD22 ASN 40 HD22 ASN 40 2.528 -7.232 -3.916 364 H GLU 41 H GLU 41 6.313 -7.655 0.710 365 HA GLU 41 HA GLU 41 8.285 -9.629 0.804 366 HB2 GLU 41 HB2 GLU 41 7.457 -7.734 3.010 367 HB3 GLU 41 HB3 GLU 41 8.988 -8.591 2.910 368 HG2 GLU 41 HG2 GLU 41 8.098 -6.707 0.758 369 HG3 GLU 41 HG3 GLU 41 8.938 -6.143 2.201 370 H ASN 42 H ASN 42 5.223 -9.361 2.471 371 HA ASN 42 HA ASN 42 5.765 -11.462 4.347 372 HB2 ASN 42 HB2 ASN 42 3.489 -9.698 3.688 373 HB3 ASN 42 HB3 ASN 42 3.054 -11.278 4.334 374 HD21 ASN 42 HD21 ASN 42 5.711 -9.026 5.003 375 HD22 ASN 42 HD22 ASN 42 5.418 -8.918 6.703 376 H SER 43 H SER 43 4.308 -11.223 1.173 377 HA SER 43 HA SER 43 4.643 -13.976 0.639 378 HB2 SER 43 HB2 SER 43 2.454 -13.640 2.186 379 HB3 SER 43 HB3 SER 43 1.733 -13.410 0.592 380 HG SER 43 HG SER 43 1.656 -15.572 0.989 381 H ASN 44 H ASN 44 4.240 -14.498 -1.527 382 HA ASN 44 HA ASN 44 3.552 -12.192 -3.227 383 HB2 ASN 44 HB2 ASN 44 5.626 -14.338 -3.521 384 HB3 ASN 44 HB3 ASN 44 4.964 -13.561 -4.957 385 HD21 ASN 44 HD21 ASN 44 4.852 -11.066 -4.662 386 HD22 ASN 44 HD22 ASN 44 6.314 -10.341 -4.096 387 H ASP 45 H ASP 45 1.696 -14.139 -2.133 388 HA ASP 45 HA ASP 45 0.674 -15.219 -4.670 389 HB2 ASP 45 HB2 ASP 45 1.695 -16.861 -2.791 390 HB3 ASP 45 HB3 ASP 45 0.038 -16.740 -2.205 391 H ARG 46 H ARG 46 -1.722 -15.928 -4.321 392 HA ARG 46 HA ARG 46 -3.138 -13.582 -3.481 393 HB2 ARG 46 HB2 ARG 46 -4.132 -16.257 -4.478 394 HB3 ARG 46 HB3 ARG 46 -5.155 -14.856 -4.195 395 HG2 ARG 46 HG2 ARG 46 -4.433 -13.774 -6.054 396 HG3 ARG 46 HG3 ARG 46 -2.822 -14.491 -5.981 397 HD2 ARG 46 HD2 ARG 46 -4.556 -16.633 -6.427 398 HD3 ARG 46 HD3 ARG 46 -5.149 -15.337 -7.465 399 HE ARG 46 HE ARG 46 -2.307 -15.735 -7.620 400 HH11 ARG 46 HH11 ARG 46 -5.409 -16.746 -8.857 401 HH12 ARG 46 HH12 ARG 46 -4.762 -17.326 -10.356 402 HH21 ARG 46 HH21 ARG 46 -1.455 -16.498 -9.587 403 HH22 ARG 46 HH22 ARG 46 -2.517 -17.186 -10.770 404 H SER 47 H SER 47 -3.680 -16.996 -2.601 405 HA SER 47 HA SER 47 -4.343 -17.981 -0.661 406 HB2 SER 47 HB2 SER 47 -2.223 -16.947 0.167 407 HB3 SER 47 HB3 SER 47 -3.157 -15.545 0.688 408 HG SER 47 HG SER 47 -2.759 -17.177 2.334 409 H GLU 48 H GLU 48 -6.548 -17.870 -0.974 410 HA GLU 48 HA GLU 48 -7.925 -15.625 0.350 411 HB2 GLU 48 HB2 GLU 48 -8.687 -17.257 -2.061 412 HB3 GLU 48 HB3 GLU 48 -9.886 -16.350 -1.150 413 HG2 GLU 48 HG2 GLU 48 -9.112 -14.335 -1.858 414 HG3 GLU 48 HG3 GLU 48 -7.454 -14.909 -2.035 415 H HIS 49 H HIS 49 -7.858 -16.687 2.374 416 HA HIS 49 HA HIS 49 -9.016 -19.298 2.696 417 HB2 HIS 49 HB2 HIS 49 -8.806 -18.716 5.170 418 HB3 HIS 49 HB3 HIS 49 -7.309 -18.773 4.246 419 HD1 HIS 49 HD1 HIS 49 -9.793 -15.919 4.672 420 HD2 HIS 49 HD2 HIS 49 -5.787 -16.811 5.314 421 HE1 HIS 49 HE1 HIS 49 -8.752 -13.779 5.482 422 HE2 HIS 49 HE2 HIS 49 -6.345 -14.366 5.946 423 H HIS 50 H HIS 50 -10.900 -19.774 3.957 424 HA HIS 50 HA HIS 50 -12.743 -17.863 4.856 425 HB2 HIS 50 HB2 HIS 50 -12.776 -17.597 2.253 426 HB3 HIS 50 HB3 HIS 50 -13.729 -19.077 2.294 427 HD1 HIS 50 HD1 HIS 50 -14.057 -15.492 2.490 428 HD2 HIS 50 HD2 HIS 50 -16.138 -18.755 4.001 429 HE1 HIS 50 HE1 HIS 50 -16.316 -14.604 3.146 430 HE2 HIS 50 HE2 HIS 50 -17.525 -16.578 4.139 431 H LYS 51 H LYS 51 -13.080 -19.233 6.551 432 HA LYS 51 HA LYS 51 -14.354 -21.814 5.917 433 HB2 LYS 51 HB2 LYS 51 -12.004 -21.395 7.353 434 HB3 LYS 51 HB3 LYS 51 -13.223 -21.664 8.593 435 HG2 LYS 51 HG2 LYS 51 -13.782 -23.651 6.806 436 HG3 LYS 51 HG3 LYS 51 -12.025 -23.531 6.696 437 HD2 LYS 51 HD2 LYS 51 -12.133 -23.528 9.298 438 HD3 LYS 51 HD3 LYS 51 -13.736 -24.226 9.050 439 HE2 LYS 51 HE2 LYS 51 -12.665 -26.191 8.984 440 HE3 LYS 51 HE3 LYS 51 -12.194 -25.713 7.354 441 HZ1 LYS 51 HZ1 LYS 51 -10.297 -24.520 8.783 442 HZ2 LYS 51 HZ2 LYS 51 -10.145 -26.088 8.162 443 HZ3 LYS 51 HZ3 LYS 51 -10.600 -25.856 9.775 444 H LYS 52 H LYS 52 -16.372 -22.054 6.608 445 HA LYS 52 HA LYS 52 -18.363 -21.672 7.640 446 HB2 LYS 52 HB2 LYS 52 -16.711 -22.217 9.610 447 HB3 LYS 52 HB3 LYS 52 -16.946 -20.522 10.012 448 HG2 LYS 52 HG2 LYS 52 -19.151 -20.816 10.570 449 HG3 LYS 52 HG3 LYS 52 -19.332 -22.240 9.544 450 HD2 LYS 52 HD2 LYS 52 -19.287 -23.261 11.584 451 HD3 LYS 52 HD3 LYS 52 -17.555 -23.230 11.244 452 HE2 LYS 52 HE2 LYS 52 -17.944 -22.482 13.505 453 HE3 LYS 52 HE3 LYS 52 -17.374 -21.129 12.528 454 HZ1 LYS 52 HZ1 LYS 52 -20.256 -21.606 12.977 455 HZ2 LYS 52 HZ2 LYS 52 -19.489 -20.182 12.478 456 HZ3 LYS 52 HZ3 LYS 52 -19.327 -20.716 14.075 457 HA PRO 53 HA PRO 53 -18.376 -17.211 6.544 458 HB2 PRO 53 HB2 PRO 53 -20.682 -17.309 5.128 459 HB3 PRO 53 HB3 PRO 53 -19.118 -17.749 4.433 460 HG2 PRO 53 HG2 PRO 53 -21.279 -19.520 5.509 461 HG3 PRO 53 HG3 PRO 53 -20.308 -19.709 4.038 462 HD2 PRO 53 HD2 PRO 53 -19.774 -21.059 6.328 463 HD3 PRO 53 HD3 PRO 53 -18.506 -20.571 5.186 464 H ARG 54 H ARG 54 -20.039 -15.535 6.953 465 HA ARG 54 HA ARG 54 -21.493 -14.466 8.336 466 HB2 ARG 54 HB2 ARG 54 -22.772 -17.203 8.373 467 HB3 ARG 54 HB3 ARG 54 -23.500 -15.773 9.088 468 HG2 ARG 54 HG2 ARG 54 -22.665 -15.650 6.241 469 HG3 ARG 54 HG3 ARG 54 -24.115 -16.564 6.658 470 HD2 ARG 54 HD2 ARG 54 -23.673 -13.747 7.602 471 HD3 ARG 54 HD3 ARG 54 -24.413 -14.106 6.042 472 HE ARG 54 HE ARG 54 -25.884 -15.574 7.770 473 HH11 ARG 54 HH11 ARG 54 -24.951 -12.212 7.700 474 HH12 ARG 54 HH12 ARG 54 -26.378 -11.670 8.518 475 HH21 ARG 54 HH21 ARG 54 -27.759 -14.863 8.848 476 HH22 ARG 54 HH22 ARG 54 -27.971 -13.175 9.170 477 H ILE 55 H ILE 55 -19.091 -15.576 9.445 478 HA ILE 55 HA ILE 55 -19.780 -16.639 12.047 479 HB ILE 55 HB ILE 55 -17.749 -17.410 10.892 480 HG12 ILE 55 HG12 ILE 55 -16.181 -16.500 12.962 481 HG13 ILE 55 HG13 ILE 55 -17.806 -16.282 13.601 482 HG21 ILE 55 HG21 ILE 55 -16.233 -14.960 11.503 483 HG22 ILE 55 HG22 ILE 55 -17.365 -14.849 10.156 484 HG23 ILE 55 HG23 ILE 55 -16.098 -16.073 10.142 485 HD11 ILE 55 HD11 ILE 55 -18.199 -18.706 12.866 486 HD12 ILE 55 HD12 ILE 55 -17.210 -18.411 14.295 487 HD13 ILE 55 HD13 ILE 55 -16.442 -18.803 12.756 488 H ASP 56 H ASP 56 -19.816 -15.560 13.949 489 HA ASP 56 HA ASP 56 -18.639 -12.986 14.317 490 HB2 ASP 56 HB2 ASP 56 -20.992 -12.794 13.014 491 HB3 ASP 56 HB3 ASP 56 -21.576 -12.798 14.676 492 H ASP 57 H ASP 57 -17.975 -13.028 16.351 493 HA ASP 57 HA ASP 57 -17.840 -13.458 18.580 494 HB2 ASP 57 HB2 ASP 57 -20.856 -13.561 18.351 495 HB3 ASP 57 HB3 ASP 57 -19.960 -13.475 19.864 496 H SER 58 H SER 58 -18.847 -15.102 20.343 497 HA SER 58 HA SER 58 -18.810 -17.753 19.056 498 HB2 SER 58 HB2 SER 58 -17.918 -17.365 21.890 499 HB3 SER 58 HB3 SER 58 -17.427 -18.592 20.720 500 HG SER 58 HG SER 58 -16.709 -15.846 20.711 501 H SER 59 H SER 59 -19.810 -19.489 20.440 502 HA SER 59 HA SER 59 -22.284 -18.446 21.644 503 HB2 SER 59 HB2 SER 59 -22.097 -20.152 19.557 504 HB3 SER 59 HB3 SER 59 -22.132 -21.307 20.890 505 HG SER 59 HG SER 59 -24.139 -19.803 19.862 506 H ASP 60 H ASP 60 -22.973 -19.170 23.629 507 HA ASP 60 HA ASP 60 -20.960 -20.081 25.427 508 HB2 ASP 60 HB2 ASP 60 -23.203 -18.636 25.764 509 HB3 ASP 60 HB3 ASP 60 -23.808 -20.215 26.251 510 H LEU 61 H LEU 61 -23.875 -21.564 24.053 511 HA LEU 61 HA LEU 61 -23.468 -24.062 25.393 512 HB2 LEU 61 HB2 LEU 61 -25.208 -23.461 23.002 513 HB3 LEU 61 HB3 LEU 61 -25.316 -24.870 24.040 514 HG LEU 61 HG LEU 61 -25.627 -22.850 25.851 515 HD11 LEU 61 HD11 LEU 61 -25.795 -21.476 23.526 516 HD12 LEU 61 HD12 LEU 61 -26.612 -21.011 25.018 517 HD13 LEU 61 HD13 LEU 61 -27.486 -21.912 23.780 518 HD21 LEU 61 HD21 LEU 61 -28.188 -23.355 25.260 519 HD22 LEU 61 HD22 LEU 61 -27.153 -24.502 26.108 520 HD23 LEU 61 HD23 LEU 61 -27.425 -24.674 24.374 521 H LEU 62 H LEU 62 -23.747 -26.050 23.661 522 HA LEU 62 HA LEU 62 -21.215 -26.006 22.215 523 HB2 LEU 62 HB2 LEU 62 -23.070 -28.347 22.622 524 HB3 LEU 62 HB3 LEU 62 -21.384 -28.395 22.138 525 HG LEU 62 HG LEU 62 -21.085 -27.184 24.504 526 HD11 LEU 62 HD11 LEU 62 -23.245 -27.059 25.311 527 HD12 LEU 62 HD12 LEU 62 -22.657 -28.546 26.054 528 HD13 LEU 62 HD13 LEU 62 -23.700 -28.623 24.635 529 HD21 LEU 62 HD21 LEU 62 -20.303 -29.495 23.492 530 HD22 LEU 62 HD22 LEU 62 -21.502 -30.126 24.622 531 HD23 LEU 62 HD23 LEU 62 -20.159 -29.147 25.216 532 H LYS 63 H LYS 63 -21.138 -27.146 20.077 533 HA LYS 63 HA LYS 63 -23.583 -26.744 18.503 534 HB2 LYS 63 HB2 LYS 63 -21.122 -25.238 18.305 535 HB3 LYS 63 HB3 LYS 63 -21.453 -26.080 16.798 536 HG2 LYS 63 HG2 LYS 63 -23.859 -25.082 17.150 537 HG3 LYS 63 HG3 LYS 63 -22.981 -23.913 18.139 538 HD2 LYS 63 HD2 LYS 63 -21.822 -23.064 16.346 539 HD3 LYS 63 HD3 LYS 63 -21.942 -24.563 15.422 540 HE2 LYS 63 HE2 LYS 63 -23.408 -23.208 14.277 541 HE3 LYS 63 HE3 LYS 63 -24.493 -24.014 15.410 542 HZ1 LYS 63 HZ1 LYS 63 -23.257 -21.414 16.069 543 HZ2 LYS 63 HZ2 LYS 63 -24.647 -22.122 16.725 544 HZ3 LYS 63 HZ3 LYS 63 -24.678 -21.496 15.155 545 H THR 64 H THR 64 -24.049 -28.394 17.194 546 HA THR 64 HA THR 64 -22.261 -30.660 17.104 547 HB THR 64 HB THR 64 -24.212 -31.557 15.613 548 HG1 THR 64 HG1 THR 64 -25.986 -30.391 15.570 549 HG21 THR 64 HG21 THR 64 -23.726 -31.797 18.244 550 HG22 THR 64 HG22 THR 64 -25.099 -32.537 17.422 551 HG23 THR 64 HG23 THR 64 -25.306 -31.012 18.284 552 H ASP 65 H ASP 65 -20.541 -29.656 15.892 553 HA ASP 65 HA ASP 65 -21.087 -29.661 12.999 554 HB2 ASP 65 HB2 ASP 65 -19.715 -27.606 14.657 555 HB3 ASP 65 HB3 ASP 65 -19.031 -27.950 13.072 556 H GLU 66 H GLU 66 -18.697 -29.537 11.904 557 HA GLU 66 HA GLU 66 -16.996 -31.526 13.231 558 HB2 GLU 66 HB2 GLU 66 -18.673 -32.293 11.258 559 HB3 GLU 66 HB3 GLU 66 -17.285 -31.800 10.297 560 HG2 GLU 66 HG2 GLU 66 -16.000 -33.514 11.014 561 HG3 GLU 66 HG3 GLU 66 -16.735 -33.541 12.616 562 H ILE 67 H ILE 67 -17.073 -29.807 10.106 563 HA ILE 67 HA ILE 67 -14.301 -28.958 10.604 564 HB ILE 67 HB ILE 67 -14.240 -28.492 8.143 565 HG12 ILE 67 HG12 ILE 67 -16.567 -30.267 7.701 566 HG13 ILE 67 HG13 ILE 67 -16.944 -28.635 8.243 567 HG21 ILE 67 HG21 ILE 67 -13.186 -30.465 8.819 568 HG22 ILE 67 HG22 ILE 67 -14.266 -30.974 7.519 569 HG23 ILE 67 HG23 ILE 67 -14.714 -31.258 9.202 570 HD11 ILE 67 HD11 ILE 67 -16.847 -29.113 5.726 571 HD12 ILE 67 HD12 ILE 67 -15.096 -29.094 5.938 572 HD13 ILE 67 HD13 ILE 67 -16.051 -27.664 6.339 573 H1 GLY 68 H1 GLY 68 12.109 12.995 25.631 574 H2 GLY 68 H2 GLY 68 11.432 11.961 24.476 575 H3 GLY 68 H3 GLY 68 11.658 11.422 26.063 576 HA2 GLY 68 HA2 GLY 68 9.312 12.096 25.367 577 HA3 GLY 68 HA3 GLY 68 9.928 12.671 26.909 578 H HIS 69 H HIS 69 11.069 13.937 23.862 579 HA HIS 69 HA HIS 69 10.114 16.573 24.626 580 HB2 HIS 69 HB2 HIS 69 12.443 15.753 23.487 581 HB3 HIS 69 HB3 HIS 69 11.542 16.261 22.063 582 HD1 HIS 69 HD1 HIS 69 10.160 18.514 24.194 583 HD2 HIS 69 HD2 HIS 69 14.066 18.080 22.845 584 HE1 HIS 69 HE1 HIS 69 11.229 20.771 24.491 585 HE2 HIS 69 HE2 HIS 69 13.564 20.507 23.585 586 H MET 70 H MET 70 9.755 17.831 22.234 587 HA MET 70 HA MET 70 7.122 16.943 21.513 588 HB2 MET 70 HB2 MET 70 8.852 19.264 20.713 589 HB3 MET 70 HB3 MET 70 7.352 18.925 19.860 590 HG2 MET 70 HG2 MET 70 6.131 19.838 21.465 591 HG3 MET 70 HG3 MET 70 6.954 18.911 22.717 592 HE1 MET 70 HE1 MET 70 8.741 22.792 21.005 593 HE2 MET 70 HE2 MET 70 7.624 21.722 20.159 594 HE3 MET 70 HE3 MET 70 9.280 21.202 20.468 595 H MET 71 H MET 71 6.430 16.651 19.267 596 HA MET 71 HA MET 71 6.507 15.583 17.264 597 HB2 MET 71 HB2 MET 71 9.285 16.713 17.411 598 HB3 MET 71 HB3 MET 71 8.811 15.679 16.071 599 HG2 MET 71 HG2 MET 71 7.448 18.241 16.865 600 HG3 MET 71 HG3 MET 71 8.593 18.056 15.539 601 HE1 MET 71 HE1 MET 71 8.204 15.757 14.077 602 HE2 MET 71 HE2 MET 71 7.765 17.097 13.019 603 HE3 MET 71 HE3 MET 71 6.723 15.679 13.123 604 H SER 72 H SER 72 9.841 14.831 18.211 605 HA SER 72 HA SER 72 10.908 12.859 18.589 606 HB2 SER 72 HB2 SER 72 9.355 12.775 20.526 607 HB3 SER 72 HB3 SER 72 8.195 11.898 19.528 608 HG SER 72 HG SER 72 9.244 10.240 20.327 609 H LYS 73 H LYS 73 11.154 12.667 16.270 610 HA LYS 73 HA LYS 73 9.314 10.933 14.853 611 HB2 LYS 73 HB2 LYS 73 11.833 12.384 14.056 612 HB3 LYS 73 HB3 LYS 73 11.024 11.254 12.979 613 HG2 LYS 73 HG2 LYS 73 9.005 12.615 13.048 614 HG3 LYS 73 HG3 LYS 73 9.795 13.740 14.155 615 HD2 LYS 73 HD2 LYS 73 11.432 13.319 11.828 616 HD3 LYS 73 HD3 LYS 73 9.804 13.803 11.348 617 HE2 LYS 73 HE2 LYS 73 10.208 15.557 13.325 618 HE3 LYS 73 HE3 LYS 73 11.881 15.306 12.830 619 HZ1 LYS 73 HZ1 LYS 73 10.737 15.651 10.466 620 HZ2 LYS 73 HZ2 LYS 73 11.353 16.934 11.382 621 HZ3 LYS 73 HZ3 LYS 73 9.696 16.596 11.406 622 H LEU 74 H LEU 74 9.442 8.871 15.571 623 HA LEU 74 HA LEU 74 12.056 7.546 15.304 624 HB2 LEU 74 HB2 LEU 74 10.665 7.929 17.696 625 HB3 LEU 74 HB3 LEU 74 10.346 6.262 17.261 626 HG LEU 74 HG LEU 74 13.171 7.062 17.049 627 HD11 LEU 74 HD11 LEU 74 13.381 6.716 19.586 628 HD12 LEU 74 HD12 LEU 74 11.677 7.173 19.643 629 HD13 LEU 74 HD13 LEU 74 12.871 8.299 18.995 630 HD21 LEU 74 HD21 LEU 74 11.539 4.718 17.839 631 HD22 LEU 74 HD22 LEU 74 13.144 4.869 18.554 632 HD23 LEU 74 HD23 LEU 74 12.963 4.814 16.801 633 H PHE 75 H PHE 75 11.501 6.781 13.255 634 HA PHE 75 HA PHE 75 10.114 4.309 13.211 635 HB2 PHE 75 HB2 PHE 75 8.158 5.827 13.222 636 HB3 PHE 75 HB3 PHE 75 8.764 6.594 11.758 637 HD1 PHE 75 HD1 PHE 75 8.710 5.420 9.625 638 HD2 PHE 75 HD2 PHE 75 7.127 3.662 13.163 639 HE1 PHE 75 HE1 PHE 75 7.518 3.754 8.261 640 HE2 PHE 75 HE2 PHE 75 5.934 1.994 11.806 641 HZ PHE 75 HZ PHE 75 6.129 2.037 9.350 642 H LEU 76 H LEU 76 11.167 7.064 11.242 643 HA LEU 76 HA LEU 76 11.711 5.545 8.911 644 HB2 LEU 76 HB2 LEU 76 12.633 8.256 9.842 645 HB3 LEU 76 HB3 LEU 76 13.115 7.577 8.299 646 HG LEU 76 HG LEU 76 10.544 7.331 7.903 647 HD11 LEU 76 HD11 LEU 76 9.763 7.903 10.088 648 HD12 LEU 76 HD12 LEU 76 9.302 9.201 8.985 649 HD13 LEU 76 HD13 LEU 76 10.673 9.415 10.073 650 HD21 LEU 76 HD21 LEU 76 12.352 8.958 6.909 651 HD22 LEU 76 HD22 LEU 76 11.467 10.161 7.846 652 HD23 LEU 76 HD23 LEU 76 10.635 9.218 6.610 653 H ASP 77 H ASP 77 13.523 6.240 11.799 654 HA ASP 77 HA ASP 77 16.110 5.679 10.844 655 HB2 ASP 77 HB2 ASP 77 15.033 6.493 13.248 656 HB3 ASP 77 HB3 ASP 77 15.627 4.878 13.621 657 H GLU 78 H GLU 78 13.539 3.612 12.065 658 HA GLU 78 HA GLU 78 15.151 1.249 12.165 659 HB2 GLU 78 HB2 GLU 78 12.143 1.563 12.140 660 HB3 GLU 78 HB3 GLU 78 13.006 0.075 12.501 661 HG2 GLU 78 HG2 GLU 78 12.560 0.827 14.607 662 HG3 GLU 78 HG3 GLU 78 14.151 1.536 14.340 663 H LEU 79 H LEU 79 12.319 1.994 10.120 664 HA LEU 79 HA LEU 79 12.623 -0.017 8.269 665 HB2 LEU 79 HB2 LEU 79 11.145 1.160 6.891 666 HB3 LEU 79 HB3 LEU 79 10.747 1.697 8.508 667 HG LEU 79 HG LEU 79 12.448 3.648 7.885 668 HD11 LEU 79 HD11 LEU 79 11.510 2.540 5.265 669 HD12 LEU 79 HD12 LEU 79 13.129 3.050 5.743 670 HD13 LEU 79 HD13 LEU 79 11.875 4.254 5.455 671 HD21 LEU 79 HD21 LEU 79 10.559 5.016 7.366 672 HD22 LEU 79 HD22 LEU 79 10.047 3.811 8.548 673 HD23 LEU 79 HD23 LEU 79 9.620 3.615 6.848 674 HA PRO 80 HA PRO 80 15.966 0.552 5.448 675 HB2 PRO 80 HB2 PRO 80 14.057 1.635 3.408 676 HB3 PRO 80 HB3 PRO 80 15.322 0.413 3.226 677 HG2 PRO 80 HG2 PRO 80 12.778 -0.319 3.424 678 HG3 PRO 80 HG3 PRO 80 14.050 -1.246 4.242 679 HD2 PRO 80 HD2 PRO 80 12.042 0.630 5.381 680 HD3 PRO 80 HD3 PRO 80 12.772 -0.818 6.104 681 H GLU 81 H GLU 81 16.928 2.251 6.606 682 HA GLU 81 HA GLU 81 16.258 4.918 6.626 683 HB2 GLU 81 HB2 GLU 81 18.045 3.855 7.993 684 HB3 GLU 81 HB3 GLU 81 19.071 3.815 6.564 685 HG2 GLU 81 HG2 GLU 81 19.832 5.791 7.225 686 HG3 GLU 81 HG3 GLU 81 18.285 6.448 6.696 687 H SER 82 H SER 82 17.720 3.082 4.062 688 HA SER 82 HA SER 82 18.847 5.164 2.562 689 HB2 SER 82 HB2 SER 82 17.955 2.386 2.011 690 HB3 SER 82 HB3 SER 82 18.124 3.450 0.616 691 HG SER 82 HG SER 82 20.196 3.231 0.785 692 H LEU 83 H LEU 83 15.601 3.732 2.457 693 HA LEU 83 HA LEU 83 14.686 5.602 0.464 694 HB2 LEU 83 HB2 LEU 83 13.857 3.112 1.358 695 HB3 LEU 83 HB3 LEU 83 12.614 4.192 1.956 696 HG LEU 83 HG LEU 83 13.485 4.070 -0.930 697 HD11 LEU 83 HD11 LEU 83 12.515 1.972 -0.519 698 HD12 LEU 83 HD12 LEU 83 11.217 2.953 -1.199 699 HD13 LEU 83 HD13 LEU 83 11.281 2.655 0.539 700 HD21 LEU 83 HD21 LEU 83 11.014 5.091 -0.960 701 HD22 LEU 83 HD22 LEU 83 12.464 6.088 -0.834 702 HD23 LEU 83 HD23 LEU 83 11.545 5.679 0.615 703 H SER 84 H SER 84 14.407 5.204 3.951 704 HA SER 84 HA SER 84 12.428 7.057 4.519 705 HB2 SER 84 HB2 SER 84 14.570 5.735 5.986 706 HB3 SER 84 HB3 SER 84 14.253 7.358 6.598 707 HG SER 84 HG SER 84 11.968 6.676 6.586 708 H ARG 85 H ARG 85 15.680 7.579 3.450 709 HA ARG 85 HA ARG 85 16.104 10.193 4.357 710 HB2 ARG 85 HB2 ARG 85 17.622 8.447 3.019 711 HB3 ARG 85 HB3 ARG 85 17.113 9.442 1.662 712 HG2 ARG 85 HG2 ARG 85 18.174 11.336 2.486 713 HG3 ARG 85 HG3 ARG 85 18.257 10.689 4.127 714 HD2 ARG 85 HD2 ARG 85 20.438 10.718 2.899 715 HD3 ARG 85 HD3 ARG 85 19.956 9.138 3.515 716 HE ARG 85 HE ARG 85 19.007 9.192 0.957 717 HH11 ARG 85 HH11 ARG 85 22.141 9.643 2.423 718 HH12 ARG 85 HH12 ARG 85 23.008 9.038 1.052 719 HH21 ARG 85 HH21 ARG 85 20.145 8.395 -0.847 720 HH22 ARG 85 HH22 ARG 85 21.875 8.329 -0.806 721 H LYS 86 H LYS 86 14.549 8.983 1.413 722 HA LYS 86 HA LYS 86 13.996 11.635 0.431 723 HB2 LYS 86 HB2 LYS 86 13.249 8.866 -0.476 724 HB3 LYS 86 HB3 LYS 86 12.541 10.292 -1.223 725 HG2 LYS 86 HG2 LYS 86 14.315 9.824 -2.616 726 HG3 LYS 86 HG3 LYS 86 14.993 11.048 -1.542 727 HD2 LYS 86 HD2 LYS 86 15.907 9.181 -0.141 728 HD3 LYS 86 HD3 LYS 86 15.392 8.064 -1.406 729 HE2 LYS 86 HE2 LYS 86 17.024 10.387 -2.246 730 HE3 LYS 86 HE3 LYS 86 17.842 9.131 -1.316 731 HZ1 LYS 86 HZ1 LYS 86 17.171 7.502 -2.931 732 HZ2 LYS 86 HZ2 LYS 86 17.957 8.771 -3.728 733 HZ3 LYS 86 HZ3 LYS 86 16.272 8.648 -3.790 734 H ILE 87 H ILE 87 12.292 9.134 2.198 735 HA ILE 87 HA ILE 87 9.710 10.339 1.985 736 HB ILE 87 HB ILE 87 10.620 8.401 4.111 737 HG12 ILE 87 HG12 ILE 87 9.464 7.760 1.388 738 HG13 ILE 87 HG13 ILE 87 11.160 7.572 1.825 739 HG21 ILE 87 HG21 ILE 87 8.534 8.653 4.833 740 HG22 ILE 87 HG22 ILE 87 7.991 7.886 3.342 741 HG23 ILE 87 HG23 ILE 87 8.106 9.643 3.438 742 HD11 ILE 87 HD11 ILE 87 10.642 5.493 2.391 743 HD12 ILE 87 HD12 ILE 87 8.911 5.825 2.324 744 HD13 ILE 87 HD13 ILE 87 9.821 6.178 3.793 745 H GLY 88 H GLY 88 12.426 10.655 4.147 746 HA2 GLY 88 HA2 GLY 88 11.091 11.853 6.328 747 HA3 GLY 88 HA3 GLY 88 12.804 11.995 5.970 748 H THR 89 H THR 89 12.460 13.225 3.377 749 HA THR 89 HA THR 89 12.225 15.928 4.244 750 HB THR 89 HB THR 89 13.765 15.096 2.430 751 HG1 THR 89 HG1 THR 89 13.474 16.991 1.180 752 HG21 THR 89 HG21 THR 89 13.079 14.301 0.478 753 HG22 THR 89 HG22 THR 89 11.851 15.554 0.305 754 HG23 THR 89 HG23 THR 89 11.500 14.100 1.234 755 H VAL 90 H VAL 90 10.119 13.726 2.481 756 HA VAL 90 HA VAL 90 8.198 15.787 1.855 757 HB VAL 90 HB VAL 90 8.497 13.827 0.382 758 HG11 VAL 90 HG11 VAL 90 7.225 12.270 2.630 759 HG12 VAL 90 HG12 VAL 90 8.905 12.144 2.111 760 HG13 VAL 90 HG13 VAL 90 7.609 11.654 1.022 761 HG21 VAL 90 HG21 VAL 90 6.432 15.055 0.250 762 HG22 VAL 90 HG22 VAL 90 5.759 14.148 1.604 763 HG23 VAL 90 HG23 VAL 90 6.088 13.334 0.074 764 H VAL 91 H VAL 91 8.450 13.135 4.195 765 HA VAL 91 HA VAL 91 5.897 13.356 5.314 766 HB VAL 91 HB VAL 91 8.485 12.497 6.620 767 HG11 VAL 91 HG11 VAL 91 7.392 12.528 8.560 768 HG12 VAL 91 HG12 VAL 91 6.354 11.256 7.916 769 HG13 VAL 91 HG13 VAL 91 5.873 12.945 7.767 770 HG21 VAL 91 HG21 VAL 91 7.169 11.287 4.589 771 HG22 VAL 91 HG22 VAL 91 6.384 10.542 5.982 772 HG23 VAL 91 HG23 VAL 91 8.134 10.433 5.793 773 H ARG 92 H ARG 92 8.781 15.277 5.768 774 HA ARG 92 HA ARG 92 8.289 16.527 8.180 775 HB2 ARG 92 HB2 ARG 92 10.227 16.809 6.430 776 HB3 ARG 92 HB3 ARG 92 9.246 18.148 5.849 777 HG2 ARG 92 HG2 ARG 92 9.676 19.430 7.658 778 HG3 ARG 92 HG3 ARG 92 9.746 18.052 8.757 779 HD2 ARG 92 HD2 ARG 92 11.961 17.700 8.396 780 HD3 ARG 92 HD3 ARG 92 11.886 18.254 6.725 781 HE ARG 92 HE ARG 92 12.460 19.837 9.054 782 HH11 ARG 92 HH11 ARG 92 11.292 19.901 5.765 783 HH12 ARG 92 HH12 ARG 92 11.704 21.565 5.519 784 HH21 ARG 92 HH21 ARG 92 13.001 22.025 8.731 785 HH22 ARG 92 HH22 ARG 92 12.675 22.771 7.203 786 H VAL 93 H VAL 93 6.831 17.072 5.049 787 HA VAL 93 HA VAL 93 5.354 19.403 5.879 788 HB VAL 93 HB VAL 93 5.009 17.691 3.409 789 HG11 VAL 93 HG11 VAL 93 3.087 19.189 4.094 790 HG12 VAL 93 HG12 VAL 93 3.748 19.469 2.484 791 HG13 VAL 93 HG13 VAL 93 4.167 20.555 3.808 792 HG21 VAL 93 HG21 VAL 93 6.655 20.173 3.877 793 HG22 VAL 93 HG22 VAL 93 6.306 19.490 2.288 794 HG23 VAL 93 HG23 VAL 93 7.244 18.564 3.458 795 H LEU 94 H LEU 94 4.879 15.968 5.812 796 HA LEU 94 HA LEU 94 2.206 16.317 6.957 797 HB2 LEU 94 HB2 LEU 94 2.637 15.395 4.418 798 HB3 LEU 94 HB3 LEU 94 2.591 13.900 5.332 799 HG LEU 94 HG LEU 94 0.413 14.938 6.336 800 HD11 LEU 94 HD11 LEU 94 -0.499 16.703 5.332 801 HD12 LEU 94 HD12 LEU 94 -0.167 16.060 3.724 802 HD13 LEU 94 HD13 LEU 94 1.080 16.960 4.588 803 HD21 LEU 94 HD21 LEU 94 -0.880 13.833 4.550 804 HD22 LEU 94 HD22 LEU 94 0.489 12.863 5.092 805 HD23 LEU 94 HD23 LEU 94 0.586 13.750 3.572 806 HA PRO 95 HA PRO 95 4.907 13.408 9.435 807 HB2 PRO 95 HB2 PRO 95 4.772 15.226 11.666 808 HB3 PRO 95 HB3 PRO 95 6.192 14.725 10.748 809 HG2 PRO 95 HG2 PRO 95 5.155 17.269 10.725 810 HG3 PRO 95 HG3 PRO 95 6.141 16.579 9.424 811 HD2 PRO 95 HD2 PRO 95 3.171 16.897 9.590 812 HD3 PRO 95 HD3 PRO 95 4.255 17.108 8.201 813 H SER 96 H SER 96 2.366 15.526 10.755 814 HA SER 96 HA SER 96 1.429 13.726 12.695 815 HB2 SER 96 HB2 SER 96 0.886 16.107 12.773 816 HB3 SER 96 HB3 SER 96 -0.041 15.963 11.279 817 HG SER 96 HG SER 96 -0.611 14.746 13.778 818 H SER 97 H SER 97 0.749 14.053 9.278 819 HA SER 97 HA SER 97 -1.588 12.399 9.304 820 HB2 SER 97 HB2 SER 97 -1.118 14.083 7.532 821 HB3 SER 97 HB3 SER 97 0.213 13.074 6.973 822 HG SER 97 HG SER 97 -1.383 12.341 5.753 823 H LEU 98 H LEU 98 1.845 11.860 8.880 824 HA LEU 98 HA LEU 98 2.013 9.413 7.706 825 HB2 LEU 98 HB2 LEU 98 3.789 10.989 8.911 826 HB3 LEU 98 HB3 LEU 98 3.622 9.789 10.177 827 HG LEU 98 HG LEU 98 4.632 9.397 7.371 828 HD11 LEU 98 HD11 LEU 98 6.003 8.291 9.732 829 HD12 LEU 98 HD12 LEU 98 5.970 10.051 9.612 830 HD13 LEU 98 HD13 LEU 98 6.661 9.089 8.304 831 HD21 LEU 98 HD21 LEU 98 3.607 7.360 9.321 832 HD22 LEU 98 HD22 LEU 98 4.843 6.956 8.130 833 HD23 LEU 98 HD23 LEU 98 3.259 7.520 7.601 834 H GLU 99 H GLU 99 1.096 10.065 11.055 835 HA GLU 99 HA GLU 99 1.129 7.495 12.085 836 HB2 GLU 99 HB2 GLU 99 -0.484 8.269 13.729 837 HB3 GLU 99 HB3 GLU 99 0.714 9.520 13.427 838 HG2 GLU 99 HG2 GLU 99 -1.016 10.894 13.201 839 HG3 GLU 99 HG3 GLU 99 -1.254 10.137 11.628 840 H ILE 100 H ILE 100 -1.091 8.943 9.844 841 HA ILE 100 HA ILE 100 -3.150 6.964 10.166 842 HB ILE 100 HB ILE 100 -2.764 8.860 7.849 843 HG12 ILE 100 HG12 ILE 100 -4.625 9.397 10.134 844 HG13 ILE 100 HG13 ILE 100 -2.920 9.806 10.299 845 HG21 ILE 100 HG21 ILE 100 -4.812 8.261 7.118 846 HG22 ILE 100 HG22 ILE 100 -5.446 8.032 8.748 847 HG23 ILE 100 HG23 ILE 100 -4.460 6.776 8.002 848 HD11 ILE 100 HD11 ILE 100 -4.800 10.829 8.184 849 HD12 ILE 100 HD12 ILE 100 -3.084 11.216 8.303 850 HD13 ILE 100 HD13 ILE 100 -4.192 11.726 9.576 851 H PHE 101 H PHE 101 -0.491 7.540 7.912 852 HA PHE 101 HA PHE 101 -1.172 5.370 6.180 853 HB2 PHE 101 HB2 PHE 101 1.384 6.956 6.484 854 HB3 PHE 101 HB3 PHE 101 1.097 5.770 5.215 855 HD1 PHE 101 HD1 PHE 101 -1.044 6.165 3.773 856 HD2 PHE 101 HD2 PHE 101 0.885 9.169 6.089 857 HE1 PHE 101 HE1 PHE 101 -2.086 7.904 2.380 858 HE2 PHE 101 HE2 PHE 101 -0.155 10.913 4.703 859 HZ PHE 101 HZ PHE 101 -1.645 10.282 2.845 860 H GLU 102 H GLU 102 0.837 5.758 9.016 861 HA GLU 102 HA GLU 102 2.396 3.446 8.809 862 HB2 GLU 102 HB2 GLU 102 2.696 5.309 10.471 863 HB3 GLU 102 HB3 GLU 102 1.338 4.647 11.371 864 HG2 GLU 102 HG2 GLU 102 2.658 2.477 11.459 865 HG3 GLU 102 HG3 GLU 102 4.036 3.428 10.906 866 H GLU 103 H GLU 103 -0.770 3.938 10.344 867 HA GLU 103 HA GLU 103 -1.041 1.196 11.109 868 HB2 GLU 103 HB2 GLU 103 -2.618 3.658 11.332 869 HB3 GLU 103 HB3 GLU 103 -3.597 2.215 11.105 870 HG2 GLU 103 HG2 GLU 103 -1.444 2.327 13.183 871 HG3 GLU 103 HG3 GLU 103 -3.061 2.958 13.492 872 H LEU 104 H LEU 104 -1.691 3.022 8.254 873 HA LEU 104 HA LEU 104 -3.662 1.335 7.110 874 HB2 LEU 104 HB2 LEU 104 -2.808 3.761 6.484 875 HB3 LEU 104 HB3 LEU 104 -1.760 2.866 5.401 876 HG LEU 104 HG LEU 104 -4.763 2.590 5.411 877 HD11 LEU 104 HD11 LEU 104 -4.831 4.055 3.522 878 HD12 LEU 104 HD12 LEU 104 -3.074 4.202 3.510 879 HD13 LEU 104 HD13 LEU 104 -4.008 4.892 4.837 880 HD21 LEU 104 HD21 LEU 104 -2.621 1.706 3.483 881 HD22 LEU 104 HD22 LEU 104 -4.354 1.611 3.174 882 HD23 LEU 104 HD23 LEU 104 -3.639 0.672 4.485 883 H TYR 105 H TYR 105 -0.132 1.536 6.675 884 HA TYR 105 HA TYR 105 0.011 -0.597 4.825 885 HB2 TYR 105 HB2 TYR 105 2.330 -0.362 4.922 886 HB3 TYR 105 HB3 TYR 105 1.759 1.245 5.345 887 HD1 TYR 105 HD1 TYR 105 2.895 -1.949 6.909 888 HD2 TYR 105 HD2 TYR 105 2.550 2.274 7.263 889 HE1 TYR 105 HE1 TYR 105 4.237 -2.019 8.969 890 HE2 TYR 105 HE2 TYR 105 3.889 2.218 9.326 891 HH TYR 105 HH TYR 105 4.535 0.686 11.060 892 H LYS 106 H LYS 106 0.129 -0.449 8.323 893 HA LYS 106 HA LYS 106 0.977 -3.143 8.705 894 HB2 LYS 106 HB2 LYS 106 0.979 -1.083 10.345 895 HB3 LYS 106 HB3 LYS 106 -0.624 -1.677 10.761 896 HG2 LYS 106 HG2 LYS 106 0.699 -2.721 12.325 897 HG3 LYS 106 HG3 LYS 106 0.584 -3.954 11.068 898 HD2 LYS 106 HD2 LYS 106 2.834 -3.999 11.332 899 HD3 LYS 106 HD3 LYS 106 2.758 -2.646 10.203 900 HE2 LYS 106 HE2 LYS 106 2.993 -2.526 13.204 901 HE3 LYS 106 HE3 LYS 106 4.189 -2.019 12.012 902 HZ1 LYS 106 HZ1 LYS 106 2.740 -0.252 11.311 903 HZ2 LYS 106 HZ2 LYS 106 2.960 -0.149 12.987 904 HZ3 LYS 106 HZ3 LYS 106 1.517 -0.771 12.359 905 H TYR 107 H TYR 107 -2.100 -1.571 8.252 906 HA TYR 107 HA TYR 107 -3.801 -3.571 9.233 907 HB2 TYR 107 HB2 TYR 107 -4.663 -1.374 8.728 908 HB3 TYR 107 HB3 TYR 107 -4.210 -1.536 7.034 909 HD1 TYR 107 HD1 TYR 107 -5.412 -3.259 5.623 910 HD2 TYR 107 HD2 TYR 107 -6.760 -2.123 9.495 911 HE1 TYR 107 HE1 TYR 107 -7.637 -4.167 5.109 912 HE2 TYR 107 HE2 TYR 107 -8.989 -3.029 8.992 913 HH TYR 107 HH TYR 107 -10.057 -3.708 5.969 914 H ALA 108 H ALA 108 -2.595 -3.007 5.931 915 HA ALA 108 HA ALA 108 -3.851 -5.253 4.776 916 HB1 ALA 108 HB1 ALA 108 -1.906 -4.916 3.051 917 HB2 ALA 108 HB2 ALA 108 -1.634 -3.432 3.964 918 HB3 ALA 108 HB3 ALA 108 -3.195 -3.721 3.196 919 H LEU 109 H LEU 109 -0.583 -4.778 6.078 920 HA LEU 109 HA LEU 109 0.433 -7.311 5.432 921 HB2 LEU 109 HB2 LEU 109 1.148 -5.165 7.359 922 HB3 LEU 109 HB3 LEU 109 1.847 -6.751 7.627 923 HG LEU 109 HG LEU 109 2.065 -5.646 4.883 924 HD11 LEU 109 HD11 LEU 109 3.404 -4.466 7.283 925 HD12 LEU 109 HD12 LEU 109 2.675 -3.655 5.897 926 HD13 LEU 109 HD13 LEU 109 4.218 -4.490 5.719 927 HD21 LEU 109 HD21 LEU 109 2.953 -7.854 5.508 928 HD22 LEU 109 HD22 LEU 109 4.004 -7.081 6.693 929 HD23 LEU 109 HD23 LEU 109 4.220 -6.749 4.974 930 H ASN 110 H ASN 110 -1.284 -6.149 8.299 931 HA ASN 110 HA ASN 110 -1.035 -8.465 9.857 932 HB2 ASN 110 HB2 ASN 110 -2.802 -6.086 9.844 933 HB3 ASN 110 HB3 ASN 110 -3.409 -7.500 10.703 934 HD21 ASN 110 HD21 ASN 110 -3.223 -6.730 12.740 935 HD22 ASN 110 HD22 ASN 110 -1.717 -6.345 13.494 936 H GLU 111 H GLU 111 -3.200 -7.647 7.243 937 HA GLU 111 HA GLU 111 -5.181 -9.582 7.643 938 HB2 GLU 111 HB2 GLU 111 -4.769 -7.608 5.817 939 HB3 GLU 111 HB3 GLU 111 -4.441 -9.032 4.839 940 HG2 GLU 111 HG2 GLU 111 -6.715 -8.570 4.536 941 HG3 GLU 111 HG3 GLU 111 -6.660 -9.933 5.653 942 H ASN 112 H ASN 112 -1.973 -9.805 6.278 943 HA ASN 112 HA ASN 112 -2.272 -12.318 5.014 944 HB2 ASN 112 HB2 ASN 112 0.278 -11.155 6.145 945 HB3 ASN 112 HB3 ASN 112 0.130 -12.345 4.855 946 HD21 ASN 112 HD21 ASN 112 -0.107 -11.668 2.812 947 HD22 ASN 112 HD22 ASN 112 -0.248 -10.015 2.332 948 H SER 113 H SER 113 -1.797 -11.377 8.310 949 HA SER 113 HA SER 113 -0.588 -13.621 9.398 950 HB2 SER 113 HB2 SER 113 -1.526 -11.324 10.440 951 HB3 SER 113 HB3 SER 113 -2.805 -12.418 10.963 952 HG SER 113 HG SER 113 -0.945 -12.176 12.414 953 H ASN 114 H ASN 114 -1.692 -15.246 10.856 954 HA ASN 114 HA ASN 114 -3.025 -17.072 11.091 955 HB2 ASN 114 HB2 ASN 114 -4.899 -14.941 10.226 956 HB3 ASN 114 HB3 ASN 114 -5.484 -16.597 10.095 957 HD21 ASN 114 HD21 ASN 114 -5.553 -14.025 12.018 958 HD22 ASN 114 HD22 ASN 114 -5.689 -14.780 13.565 959 H ASP 115 H ASP 115 -1.531 -17.950 9.422 960 HA ASP 115 HA ASP 115 -2.987 -19.363 7.451 961 HB2 ASP 115 HB2 ASP 115 -1.897 -18.445 5.436 962 HB3 ASP 115 HB3 ASP 115 -2.903 -17.244 6.241 963 H ARG 116 H ARG 116 -2.009 -21.265 7.322 964 HA ARG 116 HA ARG 116 0.569 -21.712 8.429 965 HB2 ARG 116 HB2 ARG 116 -1.585 -23.331 7.266 966 HB3 ARG 116 HB3 ARG 116 0.024 -23.981 6.982 967 HG2 ARG 116 HG2 ARG 116 0.168 -24.724 9.065 968 HG3 ARG 116 HG3 ARG 116 -0.257 -23.143 9.720 969 HD2 ARG 116 HD2 ARG 116 -1.804 -25.049 10.320 970 HD3 ARG 116 HD3 ARG 116 -2.569 -23.616 9.632 971 HE ARG 116 HE ARG 116 -1.919 -25.604 7.669 972 HH11 ARG 116 HH11 ARG 116 -4.293 -24.604 10.023 973 HH12 ARG 116 HH12 ARG 116 -5.601 -25.419 9.234 974 HH21 ARG 116 HH21 ARG 116 -3.638 -26.676 6.629 975 HH22 ARG 116 HH22 ARG 116 -5.229 -26.596 7.307 976 H SER 117 H SER 117 2.263 -20.795 7.415 977 HA SER 117 HA SER 117 3.243 -21.914 5.020 978 HB2 SER 117 HB2 SER 117 3.024 -20.127 3.462 979 HB3 SER 117 HB3 SER 117 1.414 -20.380 4.138 980 HG SER 117 HG SER 117 2.044 -18.648 5.667 981 H GLU 118 H GLU 118 5.318 -22.005 5.553 982 HA GLU 118 HA GLU 118 6.581 -19.592 6.680 983 HB2 GLU 118 HB2 GLU 118 6.779 -22.452 7.503 984 HB3 GLU 118 HB3 GLU 118 8.218 -21.449 7.642 985 HG2 GLU 118 HG2 GLU 118 7.423 -20.342 9.411 986 HG3 GLU 118 HG3 GLU 118 5.802 -20.217 8.729 987 H HIS 119 H HIS 119 7.649 -18.748 4.989 988 HA HIS 119 HA HIS 119 9.819 -20.279 3.846 989 HB2 HIS 119 HB2 HIS 119 7.409 -20.228 2.462 990 HB3 HIS 119 HB3 HIS 119 8.367 -18.973 1.683 991 HD1 HIS 119 HD1 HIS 119 7.668 -21.483 0.114 992 HD2 HIS 119 HD2 HIS 119 11.143 -21.076 2.357 993 HE1 HIS 119 HE1 HIS 119 9.298 -23.127 -0.867 994 HE2 HIS 119 HE2 HIS 119 11.364 -22.925 0.562 995 H HIS 120 H HIS 120 11.530 -19.015 3.347 996 HA HIS 120 HA HIS 120 11.111 -16.098 3.414 997 HB2 HIS 120 HB2 HIS 120 13.539 -17.628 4.374 998 HB3 HIS 120 HB3 HIS 120 13.322 -15.881 4.436 999 HD1 HIS 120 HD1 HIS 120 11.430 -15.011 6.106 1000 HD2 HIS 120 HD2 HIS 120 12.509 -19.004 6.508 1001 HE1 HIS 120 HE1 HIS 120 10.549 -15.724 8.351 1002 HE2 HIS 120 HE2 HIS 120 11.292 -18.117 8.611 1003 H LYS 121 H LYS 121 13.080 -18.728 2.096 1004 HA LYS 121 HA LYS 121 13.268 -17.420 -0.442 1005 HB2 LYS 121 HB2 LYS 121 15.335 -16.932 1.477 1006 HB3 LYS 121 HB3 LYS 121 16.000 -17.901 0.169 1007 HG2 LYS 121 HG2 LYS 121 14.385 -15.448 -0.407 1008 HG3 LYS 121 HG3 LYS 121 16.102 -15.342 -0.009 1009 HD2 LYS 121 HD2 LYS 121 16.269 -17.230 -1.861 1010 HD3 LYS 121 HD3 LYS 121 14.769 -16.480 -2.411 1011 HE2 LYS 121 HE2 LYS 121 15.851 -14.713 -3.237 1012 HE3 LYS 121 HE3 LYS 121 16.794 -14.509 -1.761 1013 HZ1 LYS 121 HZ1 LYS 121 17.990 -16.635 -2.782 1014 HZ2 LYS 121 HZ2 LYS 121 18.466 -15.053 -3.151 1015 HZ3 LYS 121 HZ3 LYS 121 17.474 -15.910 -4.221 1016 H LYS 122 H LYS 122 14.609 -18.730 -1.993 1017 HA LYS 122 HA LYS 122 13.864 -21.461 -1.795 1018 HB2 LYS 122 HB2 LYS 122 15.794 -20.160 -3.727 1019 HB3 LYS 122 HB3 LYS 122 15.037 -21.735 -3.924 1020 HG2 LYS 122 HG2 LYS 122 13.146 -19.540 -3.508 1021 HG3 LYS 122 HG3 LYS 122 14.112 -19.407 -4.980 1022 HD2 LYS 122 HD2 LYS 122 12.536 -20.742 -5.870 1023 HD3 LYS 122 HD3 LYS 122 13.405 -22.034 -5.039 1024 HE2 LYS 122 HE2 LYS 122 11.907 -21.904 -3.163 1025 HE3 LYS 122 HE3 LYS 122 11.113 -20.484 -3.840 1026 HZ1 LYS 122 HZ1 LYS 122 9.670 -22.019 -4.588 1027 HZ2 LYS 122 HZ2 LYS 122 10.785 -23.289 -4.512 1028 HZ3 LYS 122 HZ3 LYS 122 10.802 -22.226 -5.828 1029 HA PRO 123 HA PRO 123 17.389 -23.107 0.310 1030 HB2 PRO 123 HB2 PRO 123 17.254 -25.688 -0.466 1031 HB3 PRO 123 HB3 PRO 123 16.085 -24.976 0.653 1032 HG2 PRO 123 HG2 PRO 123 15.829 -25.482 -2.288 1033 HG3 PRO 123 HG3 PRO 123 14.646 -25.763 -0.996 1034 HD2 PRO 123 HD2 PRO 123 14.573 -23.587 -2.628 1035 HD3 PRO 123 HD3 PRO 123 13.981 -23.563 -0.954 1036 H ARG 124 H ARG 124 19.477 -22.900 -0.171 1037 HA ARG 124 HA ARG 124 20.360 -23.174 -2.930 1038 HB2 ARG 124 HB2 ARG 124 22.531 -22.285 -2.000 1039 HB3 ARG 124 HB3 ARG 124 21.149 -21.209 -1.849 1040 HG2 ARG 124 HG2 ARG 124 21.391 -22.890 0.477 1041 HG3 ARG 124 HG3 ARG 124 22.894 -22.019 0.166 1042 HD2 ARG 124 HD2 ARG 124 21.656 -19.912 0.082 1043 HD3 ARG 124 HD3 ARG 124 20.150 -20.781 0.380 1044 HE ARG 124 HE ARG 124 21.759 -21.462 2.477 1045 HH11 ARG 124 HH11 ARG 124 20.630 -18.448 1.127 1046 HH12 ARG 124 HH12 ARG 124 20.655 -17.615 2.645 1047 HH21 ARG 124 HH21 ARG 124 21.789 -20.369 4.474 1048 HH22 ARG 124 HH22 ARG 124 21.313 -18.705 4.545 1049 H ILE 125 H ILE 125 22.553 -24.214 -3.277 1050 HA ILE 125 HA ILE 125 23.423 -26.265 -1.511 1051 HB ILE 125 HB ILE 125 21.371 -27.356 -2.309 1052 HG12 ILE 125 HG12 ILE 125 23.509 -28.872 -3.716 1053 HG13 ILE 125 HG13 ILE 125 23.779 -28.490 -2.019 1054 HG21 ILE 125 HG21 ILE 125 21.802 -26.127 -4.665 1055 HG22 ILE 125 HG22 ILE 125 20.744 -27.524 -4.465 1056 HG23 ILE 125 HG23 ILE 125 22.397 -27.744 -5.040 1057 HD11 ILE 125 HD11 ILE 125 21.561 -30.112 -3.222 1058 HD12 ILE 125 HD12 ILE 125 21.524 -29.522 -1.561 1059 HD13 ILE 125 HD13 ILE 125 22.799 -30.627 -2.077 1060 H ASP 126 H ASP 126 25.426 -27.009 -2.060 1061 HA ASP 126 HA ASP 126 26.851 -25.589 -4.075 1062 HB2 ASP 126 HB2 ASP 126 27.571 -27.825 -2.194 1063 HB3 ASP 126 HB3 ASP 126 28.703 -27.265 -3.421 1064 H ASP 127 H ASP 127 28.198 -26.680 -5.740 1065 HA ASP 127 HA ASP 127 26.620 -28.775 -7.071 1066 HB2 ASP 127 HB2 ASP 127 27.334 -26.376 -8.076 1067 HB3 ASP 127 HB3 ASP 127 28.726 -27.333 -8.578 1068 H SER 128 H SER 128 27.473 -30.725 -7.464 1069 HA SER 128 HA SER 128 30.330 -31.134 -7.565 1070 HB2 SER 128 HB2 SER 128 30.287 -32.882 -5.766 1071 HB3 SER 128 HB3 SER 128 30.039 -31.240 -5.171 1072 HG SER 128 HG SER 128 27.913 -33.010 -5.781 1073 H SER 129 H SER 129 30.825 -33.517 -7.922 1074 HA SER 129 HA SER 129 30.588 -35.377 -9.211 1075 HB2 SER 129 HB2 SER 129 28.760 -35.784 -7.495 1076 HB3 SER 129 HB3 SER 129 27.620 -35.162 -8.688 1077 HG SER 129 HG SER 129 29.333 -37.404 -8.991 1078 H ASP 130 H ASP 130 31.201 -34.452 -11.158 1079 HA ASP 130 HA ASP 130 28.978 -33.825 -12.987 1080 HB2 ASP 130 HB2 ASP 130 31.503 -32.340 -12.465 1081 HB3 ASP 130 HB3 ASP 130 30.945 -32.422 -14.135 1082 H LEU 131 H LEU 131 32.479 -34.520 -13.100 1083 HA LEU 131 HA LEU 131 31.936 -36.373 -15.324 1084 HB2 LEU 131 HB2 LEU 131 33.711 -34.218 -15.166 1085 HB3 LEU 131 HB3 LEU 131 34.722 -35.644 -15.015 1086 HG LEU 131 HG LEU 131 32.713 -35.474 -17.229 1087 HD11 LEU 131 HD11 LEU 131 34.913 -34.662 -18.497 1088 HD12 LEU 131 HD12 LEU 131 35.195 -33.894 -16.933 1089 HD13 LEU 131 HD13 LEU 131 33.721 -33.541 -17.838 1090 HD21 LEU 131 HD21 LEU 131 34.839 -36.694 -18.258 1091 HD22 LEU 131 HD22 LEU 131 33.621 -37.556 -17.319 1092 HD23 LEU 131 HD23 LEU 131 35.129 -37.053 -16.556 1093 H LEU 132 H LEU 132 33.369 -38.263 -15.468 1094 HA LEU 132 HA LEU 132 34.831 -39.105 -13.153 1095 HB2 LEU 132 HB2 LEU 132 32.574 -39.511 -12.342 1096 HB3 LEU 132 HB3 LEU 132 32.197 -40.436 -13.783 1097 HG LEU 132 HG LEU 132 33.988 -42.069 -13.089 1098 HD11 LEU 132 HD11 LEU 132 35.388 -41.169 -11.560 1099 HD12 LEU 132 HD12 LEU 132 34.216 -41.852 -10.434 1100 HD13 LEU 132 HD13 LEU 132 34.139 -40.141 -10.855 1101 HD21 LEU 132 HD21 LEU 132 31.426 -41.586 -11.670 1102 HD22 LEU 132 HD22 LEU 132 32.508 -42.821 -11.025 1103 HD23 LEU 132 HD23 LEU 132 31.924 -42.941 -12.684 1104 H LYS 133 H LYS 133 35.978 -41.065 -13.485 1105 HA LYS 133 HA LYS 133 36.771 -41.505 -16.157 1106 HB2 LYS 133 HB2 LYS 133 37.427 -42.634 -13.510 1107 HB3 LYS 133 HB3 LYS 133 37.707 -43.709 -14.872 1108 HG2 LYS 133 HG2 LYS 133 39.607 -42.673 -15.317 1109 HG3 LYS 133 HG3 LYS 133 38.743 -41.151 -15.541 1110 HD2 LYS 133 HD2 LYS 133 40.347 -40.736 -13.859 1111 HD3 LYS 133 HD3 LYS 133 38.805 -40.906 -13.018 1112 HE2 LYS 133 HE2 LYS 133 40.464 -43.341 -13.388 1113 HE3 LYS 133 HE3 LYS 133 41.004 -42.151 -12.206 1114 HZ1 LYS 133 HZ1 LYS 133 39.642 -43.310 -10.866 1115 HZ2 LYS 133 HZ2 LYS 133 38.705 -43.922 -12.137 1116 HZ3 LYS 133 HZ3 LYS 133 38.433 -42.354 -11.563 1117 H THR 134 H THR 134 36.583 -43.420 -17.432 1118 HA THR 134 HA THR 134 34.346 -45.187 -16.740 1119 HB THR 134 HB THR 134 33.296 -43.638 -18.192 1120 HG1 THR 134 HG1 THR 134 32.812 -44.924 -19.959 1121 HG21 THR 134 HG21 THR 134 35.676 -43.894 -20.012 1122 HG22 THR 134 HG22 THR 134 35.170 -42.462 -19.115 1123 HG23 THR 134 HG23 THR 134 34.168 -43.079 -20.429 1124 H ASP 135 H ASP 135 36.108 -46.645 -16.230 1125 HA ASP 135 HA ASP 135 38.031 -47.482 -18.101 1126 HB2 ASP 135 HB2 ASP 135 38.193 -49.530 -16.644 1127 HB3 ASP 135 HB3 ASP 135 38.364 -48.001 -15.786 1128 H GLU 136 H GLU 136 34.758 -48.608 -17.424 1129 HA GLU 136 HA GLU 136 34.854 -50.150 -19.926 1130 HB2 GLU 136 HB2 GLU 136 34.919 -51.429 -17.573 1131 HB3 GLU 136 HB3 GLU 136 33.179 -51.212 -17.713 1132 HG2 GLU 136 HG2 GLU 136 33.388 -52.240 -20.021 1133 HG3 GLU 136 HG3 GLU 136 35.024 -52.700 -19.551 1134 H ILE 137 H ILE 137 32.483 -49.304 -17.395 1135 HA ILE 137 HA ILE 137 30.778 -48.165 -19.513 1136 HB ILE 137 HB ILE 137 29.752 -49.606 -17.068 1137 HG12 ILE 137 HG12 ILE 137 29.234 -50.859 -19.654 1138 HG13 ILE 137 HG13 ILE 137 30.950 -50.787 -19.276 1139 HG21 ILE 137 HG21 ILE 137 27.660 -49.111 -17.756 1140 HG22 ILE 137 HG22 ILE 137 28.081 -49.215 -19.466 1141 HG23 ILE 137 HG23 ILE 137 28.475 -47.761 -18.547 1142 HD11 ILE 137 HD11 ILE 137 30.153 -51.728 -16.963 1143 HD12 ILE 137 HD12 ILE 137 30.392 -52.792 -18.349 1144 HD13 ILE 137 HD13 ILE 137 28.767 -52.265 -17.912 Start of MODEL 12 1 H1 GLY -2 H1 GLY -2 -14.140 10.264 -13.028 2 H2 GLY -2 H2 GLY -2 -13.020 10.467 -14.277 3 H3 GLY -2 H3 GLY -2 -13.379 11.759 -13.246 4 HA2 GLY -2 HA2 GLY -2 -11.535 11.159 -12.159 5 HA3 GLY -2 HA3 GLY -2 -12.588 9.934 -11.466 6 H HIS -1 H HIS -1 -11.071 10.270 -14.671 7 HA HIS -1 HA HIS -1 -9.838 7.628 -14.242 8 HB2 HIS -1 HB2 HIS -1 -11.142 8.813 -16.675 9 HB3 HIS -1 HB3 HIS -1 -9.938 7.538 -16.834 10 HD1 HIS -1 HD1 HIS -1 -12.967 7.968 -14.555 11 HD2 HIS -1 HD2 HIS -1 -11.242 5.199 -17.127 12 HE1 HIS -1 HE1 HIS -1 -14.464 5.950 -14.471 13 HE2 HIS -1 HE2 HIS -1 -13.449 4.321 -16.102 14 H MET 0 H MET 0 -8.162 9.189 -13.305 15 HA MET 0 HA MET 0 -6.261 9.851 -15.447 16 HB2 MET 0 HB2 MET 0 -7.220 11.582 -13.211 17 HB3 MET 0 HB3 MET 0 -5.545 11.727 -13.723 18 HG2 MET 0 HG2 MET 0 -7.789 11.879 -15.697 19 HG3 MET 0 HG3 MET 0 -7.284 13.289 -14.766 20 HE1 MET 0 HE1 MET 0 -6.122 14.885 -15.721 21 HE2 MET 0 HE2 MET 0 -4.760 14.805 -16.837 22 HE3 MET 0 HE3 MET 0 -4.539 14.371 -15.142 23 H MET 1 H MET 1 -5.680 7.579 -14.699 24 HA MET 1 HA MET 1 -4.210 6.177 -13.677 25 HB2 MET 1 HB2 MET 1 -2.928 8.844 -13.125 26 HB3 MET 1 HB3 MET 1 -2.206 7.344 -12.558 27 HG2 MET 1 HG2 MET 1 -1.156 7.289 -14.511 28 HG3 MET 1 HG3 MET 1 -2.705 6.807 -15.199 29 HE1 MET 1 HE1 MET 1 -3.779 9.617 -17.373 30 HE2 MET 1 HE2 MET 1 -4.524 8.733 -16.040 31 HE3 MET 1 HE3 MET 1 -3.539 7.876 -17.226 32 H SER 2 H SER 2 -6.326 6.069 -12.281 33 HA SER 2 HA SER 2 -6.187 7.088 -9.623 34 HB2 SER 2 HB2 SER 2 -8.132 5.678 -9.187 35 HB3 SER 2 HB3 SER 2 -8.327 6.511 -10.728 36 HG SER 2 HG SER 2 -7.534 3.818 -10.322 37 H LYS 3 H LYS 3 -5.866 5.918 -7.678 38 HA LYS 3 HA LYS 3 -3.850 3.834 -7.941 39 HB2 LYS 3 HB2 LYS 3 -4.862 5.130 -5.409 40 HB3 LYS 3 HB3 LYS 3 -3.377 4.212 -5.616 41 HG2 LYS 3 HG2 LYS 3 -3.957 6.833 -6.978 42 HG3 LYS 3 HG3 LYS 3 -3.038 6.661 -5.481 43 HD2 LYS 3 HD2 LYS 3 -1.267 5.596 -6.543 44 HD3 LYS 3 HD3 LYS 3 -2.256 5.119 -7.925 45 HE2 LYS 3 HE2 LYS 3 -2.459 7.744 -8.210 46 HE3 LYS 3 HE3 LYS 3 -0.932 7.713 -7.331 47 HZ1 LYS 3 HZ1 LYS 3 0.149 6.797 -9.064 48 HZ2 LYS 3 HZ2 LYS 3 -1.101 7.492 -9.968 49 HZ3 LYS 3 HZ3 LYS 3 -1.166 5.853 -9.553 50 H LEU 4 H LEU 4 -4.028 2.198 -5.930 51 HA LEU 4 HA LEU 4 -6.768 1.132 -5.881 52 HB2 LEU 4 HB2 LEU 4 -4.265 -0.181 -6.782 53 HB3 LEU 4 HB3 LEU 4 -5.368 -1.155 -5.829 54 HG LEU 4 HG LEU 4 -7.085 -0.100 -7.650 55 HD11 LEU 4 HD11 LEU 4 -4.655 -0.730 -9.284 56 HD12 LEU 4 HD12 LEU 4 -4.999 0.917 -8.753 57 HD13 LEU 4 HD13 LEU 4 -6.154 0.061 -9.774 58 HD21 LEU 4 HD21 LEU 4 -5.439 -2.617 -7.787 59 HD22 LEU 4 HD22 LEU 4 -6.812 -2.292 -8.845 60 HD23 LEU 4 HD23 LEU 4 -7.052 -2.414 -7.102 61 H PHE 5 H PHE 5 -5.887 2.650 -3.834 62 HA PHE 5 HA PHE 5 -5.192 0.695 -1.740 63 HB2 PHE 5 HB2 PHE 5 -4.190 2.506 -0.471 64 HB3 PHE 5 HB3 PHE 5 -3.476 2.449 -2.080 65 HD1 PHE 5 HD1 PHE 5 -3.935 4.191 -3.707 66 HD2 PHE 5 HD2 PHE 5 -5.566 4.352 0.219 67 HE1 PHE 5 HE1 PHE 5 -4.485 6.566 -4.038 68 HE2 PHE 5 HE2 PHE 5 -6.119 6.728 -0.104 69 HZ PHE 5 HZ PHE 5 -5.578 7.838 -2.234 70 H LEU 6 H LEU 6 -7.261 3.393 -2.637 71 HA LEU 6 HA LEU 6 -8.624 3.713 -0.210 72 HB2 LEU 6 HB2 LEU 6 -9.389 4.238 -3.068 73 HB3 LEU 6 HB3 LEU 6 -10.509 4.546 -1.754 74 HG LEU 6 HG LEU 6 -8.107 5.810 -1.013 75 HD11 LEU 6 HD11 LEU 6 -7.654 7.291 -2.885 76 HD12 LEU 6 HD12 LEU 6 -8.835 6.430 -3.872 77 HD13 LEU 6 HD13 LEU 6 -7.366 5.611 -3.338 78 HD21 LEU 6 HD21 LEU 6 -10.801 6.708 -1.961 79 HD22 LEU 6 HD22 LEU 6 -9.537 7.882 -1.590 80 HD23 LEU 6 HD23 LEU 6 -10.108 6.774 -0.340 81 H ASP 7 H ASP 7 -9.121 1.485 -2.887 82 HA ASP 7 HA ASP 7 -11.632 0.487 -2.177 83 HB2 ASP 7 HB2 ASP 7 -9.947 0.023 -4.228 84 HB3 ASP 7 HB3 ASP 7 -9.671 -1.440 -3.286 85 H GLU 8 H GLU 8 -8.401 -0.762 -1.343 86 HA GLU 8 HA GLU 8 -9.284 -2.880 0.270 87 HB2 GLU 8 HB2 GLU 8 -6.729 -1.389 -0.062 88 HB3 GLU 8 HB3 GLU 8 -6.905 -2.391 1.373 89 HG2 GLU 8 HG2 GLU 8 -7.688 -4.174 -0.412 90 HG3 GLU 8 HG3 GLU 8 -6.705 -3.173 -1.479 91 H LEU 9 H LEU 9 -8.847 0.519 0.926 92 HA LEU 9 HA LEU 9 -9.053 0.237 3.783 93 HB2 LEU 9 HB2 LEU 9 -9.087 2.612 1.932 94 HB3 LEU 9 HB3 LEU 9 -9.314 2.767 3.664 95 HG LEU 9 HG LEU 9 -6.899 1.310 2.722 96 HD11 LEU 9 HD11 LEU 9 -6.615 4.236 2.945 97 HD12 LEU 9 HD12 LEU 9 -7.398 3.639 1.481 98 HD13 LEU 9 HD13 LEU 9 -5.778 3.086 1.901 99 HD21 LEU 9 HD21 LEU 9 -7.818 2.829 5.082 100 HD22 LEU 9 HD22 LEU 9 -6.106 2.958 4.677 101 HD23 LEU 9 HD23 LEU 9 -6.823 1.375 4.981 102 HA PRO 10 HA PRO 10 -13.404 0.218 4.421 103 HB2 PRO 10 HB2 PRO 10 -13.049 2.497 6.294 104 HB3 PRO 10 HB3 PRO 10 -13.771 0.909 6.576 105 HG2 PRO 10 HG2 PRO 10 -11.358 1.500 7.539 106 HG3 PRO 10 HG3 PRO 10 -11.718 -0.115 6.901 107 HD2 PRO 10 HD2 PRO 10 -10.190 2.126 5.644 108 HD3 PRO 10 HD3 PRO 10 -9.880 0.378 5.590 109 H GLU 11 H GLU 11 -15.118 2.257 5.098 110 HA GLU 11 HA GLU 11 -15.053 3.903 2.668 111 HB2 GLU 11 HB2 GLU 11 -17.017 2.323 3.302 112 HB3 GLU 11 HB3 GLU 11 -17.453 3.587 4.442 113 HG2 GLU 11 HG2 GLU 11 -17.073 4.987 2.119 114 HG3 GLU 11 HG3 GLU 11 -17.775 3.475 1.550 115 H SER 12 H SER 12 -15.339 4.062 6.164 116 HA SER 12 HA SER 12 -15.851 6.880 6.249 117 HB2 SER 12 HB2 SER 12 -16.322 4.998 8.040 118 HB3 SER 12 HB3 SER 12 -14.695 5.408 8.583 119 HG SER 12 HG SER 12 -16.504 6.615 9.551 120 H LEU 13 H LEU 13 -13.012 4.845 6.295 121 HA LEU 13 HA LEU 13 -11.201 6.871 7.175 122 HB2 LEU 13 HB2 LEU 13 -11.083 4.082 6.406 123 HB3 LEU 13 HB3 LEU 13 -9.746 4.979 5.713 124 HG LEU 13 HG LEU 13 -10.254 5.466 8.582 125 HD11 LEU 13 HD11 LEU 13 -8.752 3.296 8.894 126 HD12 LEU 13 HD12 LEU 13 -9.673 2.777 7.482 127 HD13 LEU 13 HD13 LEU 13 -10.514 3.242 8.960 128 HD21 LEU 13 HD21 LEU 13 -8.351 6.317 7.042 129 HD22 LEU 13 HD22 LEU 13 -7.663 4.713 7.292 130 HD23 LEU 13 HD23 LEU 13 -7.962 5.768 8.672 131 H SER 14 H SER 14 -12.399 5.788 4.069 132 HA SER 14 HA SER 14 -10.500 6.973 2.395 133 HB2 SER 14 HB2 SER 14 -12.049 6.665 0.633 134 HB3 SER 14 HB3 SER 14 -12.397 5.368 1.774 135 HG SER 14 HG SER 14 -14.131 6.607 2.560 136 H ARG 15 H ARG 15 -12.989 8.396 4.314 137 HA ARG 15 HA ARG 15 -13.142 10.845 2.811 138 HB2 ARG 15 HB2 ARG 15 -14.511 9.648 5.073 139 HB3 ARG 15 HB3 ARG 15 -14.142 11.341 5.370 140 HG2 ARG 15 HG2 ARG 15 -15.467 12.074 3.629 141 HG3 ARG 15 HG3 ARG 15 -15.403 10.523 2.789 142 HD2 ARG 15 HD2 ARG 15 -17.599 10.817 3.729 143 HD3 ARG 15 HD3 ARG 15 -16.765 9.534 4.604 144 HE ARG 15 HE ARG 15 -16.243 11.725 6.095 145 HH11 ARG 15 HH11 ARG 15 -19.198 10.358 4.834 146 HH12 ARG 15 HH12 ARG 15 -20.172 10.941 6.142 147 HH21 ARG 15 HH21 ARG 15 -17.524 12.491 7.815 148 HH22 ARG 15 HH22 ARG 15 -19.223 12.152 7.835 149 H LYS 16 H LYS 16 -11.764 9.903 5.959 150 HA LYS 16 HA LYS 16 -10.624 12.427 6.518 151 HB2 LYS 16 HB2 LYS 16 -9.293 11.216 8.218 152 HB3 LYS 16 HB3 LYS 16 -11.006 10.834 8.297 153 HG2 LYS 16 HG2 LYS 16 -10.541 8.759 7.007 154 HG3 LYS 16 HG3 LYS 16 -8.820 9.128 7.129 155 HD2 LYS 16 HD2 LYS 16 -10.262 9.214 9.681 156 HD3 LYS 16 HD3 LYS 16 -10.233 7.625 8.917 157 HE2 LYS 16 HE2 LYS 16 -8.330 7.770 10.344 158 HE3 LYS 16 HE3 LYS 16 -7.757 7.875 8.679 159 HZ1 LYS 16 HZ1 LYS 16 -8.262 10.262 10.362 160 HZ2 LYS 16 HZ2 LYS 16 -7.432 10.191 8.889 161 HZ3 LYS 16 HZ3 LYS 16 -6.754 9.502 10.276 162 H ILE 17 H ILE 17 -9.457 9.618 4.768 163 HA ILE 17 HA ILE 17 -6.742 10.467 4.618 164 HB ILE 17 HB ILE 17 -8.243 8.556 2.822 165 HG12 ILE 17 HG12 ILE 17 -6.343 7.819 5.036 166 HG13 ILE 17 HG13 ILE 17 -8.054 8.080 5.357 167 HG21 ILE 17 HG21 ILE 17 -5.502 9.554 2.797 168 HG22 ILE 17 HG22 ILE 17 -6.410 8.701 1.549 169 HG23 ILE 17 HG23 ILE 17 -5.607 7.794 2.829 170 HD11 ILE 17 HD11 ILE 17 -7.553 6.286 3.117 171 HD12 ILE 17 HD12 ILE 17 -8.618 6.099 4.508 172 HD13 ILE 17 HD13 ILE 17 -6.905 5.708 4.651 173 H GLY 18 H GLY 18 -9.460 10.606 2.318 174 HA2 GLY 18 HA2 GLY 18 -8.072 11.906 0.249 175 HA3 GLY 18 HA3 GLY 18 -9.814 11.926 0.476 176 H THR 19 H THR 19 -9.226 13.115 3.254 177 HA THR 19 HA THR 19 -9.458 15.853 2.409 178 HB THR 19 HB THR 19 -9.199 15.924 5.153 179 HG1 THR 19 HG1 THR 19 -10.624 13.558 4.571 180 HG21 THR 19 HG21 THR 19 -11.395 16.461 5.209 181 HG22 THR 19 HG22 THR 19 -11.858 15.165 4.105 182 HG23 THR 19 HG23 THR 19 -11.115 16.635 3.476 183 H VAL 20 H VAL 20 -7.028 13.872 4.021 184 HA VAL 20 HA VAL 20 -5.242 16.089 4.466 185 HB VAL 20 HB VAL 20 -4.589 13.146 4.617 186 HG11 VAL 20 HG11 VAL 20 -2.992 14.113 6.401 187 HG12 VAL 20 HG12 VAL 20 -3.271 15.652 5.586 188 HG13 VAL 20 HG13 VAL 20 -2.578 14.295 4.696 189 HG21 VAL 20 HG21 VAL 20 -4.944 13.866 7.187 190 HG22 VAL 20 HG22 VAL 20 -6.203 13.126 6.196 191 HG23 VAL 20 HG23 VAL 20 -6.165 14.876 6.411 192 H VAL 21 H VAL 21 -5.714 13.640 2.024 193 HA VAL 21 HA VAL 21 -3.223 13.715 0.762 194 HB VAL 21 HB VAL 21 -5.913 13.319 -0.558 195 HG11 VAL 21 HG11 VAL 21 -4.710 12.130 -2.275 196 HG12 VAL 21 HG12 VAL 21 -3.185 12.367 -1.420 197 HG13 VAL 21 HG13 VAL 21 -4.035 13.750 -2.110 198 HG21 VAL 21 HG21 VAL 21 -4.376 10.926 -0.023 199 HG22 VAL 21 HG22 VAL 21 -6.052 11.301 0.371 200 HG23 VAL 21 HG23 VAL 21 -4.759 11.799 1.459 201 H ARG 22 H ARG 22 -6.042 15.811 0.411 202 HA ARG 22 HA ARG 22 -5.422 17.220 -1.859 203 HB2 ARG 22 HB2 ARG 22 -7.093 17.613 0.446 204 HB3 ARG 22 HB3 ARG 22 -6.344 19.140 0.000 205 HG2 ARG 22 HG2 ARG 22 -7.549 19.329 -1.883 206 HG3 ARG 22 HG3 ARG 22 -7.457 17.604 -2.241 207 HD2 ARG 22 HD2 ARG 22 -9.433 17.192 -1.280 208 HD3 ARG 22 HD3 ARG 22 -9.057 18.193 0.121 209 HE ARG 22 HE ARG 22 -10.544 18.964 -2.220 210 HH11 ARG 22 HH11 ARG 22 -8.642 20.105 0.477 211 HH12 ARG 22 HH12 ARG 22 -9.348 21.685 0.467 212 HH21 ARG 22 HH21 ARG 22 -11.473 21.043 -2.232 213 HH22 ARG 22 HH22 ARG 22 -10.955 22.218 -1.070 214 H VAL 23 H VAL 23 -3.966 17.473 1.309 215 HA VAL 23 HA VAL 23 -2.493 19.867 0.691 216 HB VAL 23 HB VAL 23 -2.018 17.958 2.980 217 HG11 VAL 23 HG11 VAL 23 -0.871 20.504 2.154 218 HG12 VAL 23 HG12 VAL 23 -0.288 19.328 3.332 219 HG13 VAL 23 HG13 VAL 23 -1.483 20.533 3.808 220 HG21 VAL 23 HG21 VAL 23 -3.832 18.708 4.046 221 HG22 VAL 23 HG22 VAL 23 -4.369 19.326 2.484 222 HG23 VAL 23 HG23 VAL 23 -3.501 20.380 3.600 223 H LEU 24 H LEU 24 -1.777 16.402 0.890 224 HA LEU 24 HA LEU 24 0.781 16.941 -0.469 225 HB2 LEU 24 HB2 LEU 24 0.192 15.231 1.888 226 HB3 LEU 24 HB3 LEU 24 1.410 14.687 0.753 227 HG LEU 24 HG LEU 24 2.332 15.940 2.693 228 HD11 LEU 24 HD11 LEU 24 4.038 16.585 1.412 229 HD12 LEU 24 HD12 LEU 24 3.048 17.744 0.524 230 HD13 LEU 24 HD13 LEU 24 3.064 16.047 0.045 231 HD21 LEU 24 HD21 LEU 24 1.801 18.098 3.177 232 HD22 LEU 24 HD22 LEU 24 0.260 17.591 2.487 233 HD23 LEU 24 HD23 LEU 24 1.413 18.495 1.505 234 HA PRO 25 HA PRO 25 -1.817 14.048 -3.034 235 HB2 PRO 25 HB2 PRO 25 -1.257 15.303 -5.390 236 HB3 PRO 25 HB3 PRO 25 -2.625 15.742 -4.362 237 HG2 PRO 25 HG2 PRO 25 0.065 17.034 -4.590 238 HG3 PRO 25 HG3 PRO 25 -1.536 17.791 -4.473 239 HD2 PRO 25 HD2 PRO 25 0.121 17.593 -2.351 240 HD3 PRO 25 HD3 PRO 25 -1.645 17.502 -2.185 241 H SER 26 H SER 26 1.413 15.244 -2.953 242 HA SER 26 HA SER 26 2.427 13.281 -4.835 243 HB2 SER 26 HB2 SER 26 3.457 15.482 -4.870 244 HB3 SER 26 HB3 SER 26 3.834 15.367 -3.150 245 HG SER 26 HG SER 26 4.816 13.549 -5.091 246 H SER 27 H SER 27 2.497 13.949 -1.348 247 HA SER 27 HA SER 27 4.271 11.900 -0.610 248 HB2 SER 27 HB2 SER 27 1.918 12.835 1.041 249 HB3 SER 27 HB3 SER 27 3.430 12.139 1.624 250 HG SER 27 HG SER 27 3.395 14.413 1.822 251 H LEU 28 H LEU 28 0.741 11.915 -0.880 252 HA LEU 28 HA LEU 28 0.027 9.463 0.028 253 HB2 LEU 28 HB2 LEU 28 -1.273 11.352 -1.328 254 HB3 LEU 28 HB3 LEU 28 -1.070 10.199 -2.633 255 HG LEU 28 HG LEU 28 -2.678 9.946 -0.124 256 HD11 LEU 28 HD11 LEU 28 -3.479 8.882 -2.774 257 HD12 LEU 28 HD12 LEU 28 -3.416 10.633 -2.575 258 HD13 LEU 28 HD13 LEU 28 -4.449 9.663 -1.525 259 HD21 LEU 28 HD21 LEU 28 -1.328 7.962 -0.054 260 HD22 LEU 28 HD22 LEU 28 -1.602 7.661 -1.770 261 HD23 LEU 28 HD23 LEU 28 -2.938 7.524 -0.626 262 H GLU 29 H GLU 29 1.292 10.103 -3.237 263 HA GLU 29 HA GLU 29 1.188 7.475 -4.185 264 HB2 GLU 29 HB2 GLU 29 1.886 9.863 -5.265 265 HB3 GLU 29 HB3 GLU 29 3.470 9.116 -5.096 266 HG2 GLU 29 HG2 GLU 29 1.144 7.800 -6.472 267 HG3 GLU 29 HG3 GLU 29 2.359 8.770 -7.303 268 H ILE 30 H ILE 30 3.590 9.132 -2.238 269 HA ILE 30 HA ILE 30 5.580 7.094 -2.430 270 HB ILE 30 HB ILE 30 5.296 9.159 -0.247 271 HG12 ILE 30 HG12 ILE 30 5.252 10.193 -2.503 272 HG13 ILE 30 HG13 ILE 30 6.696 10.620 -1.591 273 HG21 ILE 30 HG21 ILE 30 6.893 7.224 0.050 274 HG22 ILE 30 HG22 ILE 30 7.602 8.837 0.160 275 HG23 ILE 30 HG23 ILE 30 7.802 7.883 -1.310 276 HD11 ILE 30 HD11 ILE 30 6.514 9.483 -4.166 277 HD12 ILE 30 HD12 ILE 30 7.253 8.283 -3.105 278 HD13 ILE 30 HD13 ILE 30 7.961 9.892 -3.246 279 H PHE 31 H PHE 31 3.169 7.962 0.031 280 HA PHE 31 HA PHE 31 3.871 5.865 1.814 281 HB2 PHE 31 HB2 PHE 31 1.304 7.454 1.605 282 HB3 PHE 31 HB3 PHE 31 1.758 6.427 2.961 283 HD1 PHE 31 HD1 PHE 31 4.634 7.126 3.202 284 HD2 PHE 31 HD2 PHE 31 1.214 9.576 2.563 285 HE1 PHE 31 HE1 PHE 31 5.802 9.020 4.245 286 HE2 PHE 31 HE2 PHE 31 2.377 11.477 3.606 287 HZ PHE 31 HZ PHE 31 4.673 11.200 4.450 288 H GLU 32 H GLU 32 1.418 6.209 -0.708 289 HA GLU 32 HA GLU 32 0.006 3.845 -0.227 290 HB2 GLU 32 HB2 GLU 32 -0.833 5.556 -1.741 291 HB3 GLU 32 HB3 GLU 32 0.514 5.285 -2.838 292 HG2 GLU 32 HG2 GLU 32 -0.808 2.805 -2.404 293 HG3 GLU 32 HG3 GLU 32 -2.014 4.027 -2.806 294 H GLU 33 H GLU 33 2.901 4.461 -2.155 295 HA GLU 33 HA GLU 33 3.102 1.750 -3.081 296 HB2 GLU 33 HB2 GLU 33 4.231 4.192 -3.812 297 HB3 GLU 33 HB3 GLU 33 5.583 3.264 -3.178 298 HG2 GLU 33 HG2 GLU 33 5.647 1.942 -4.964 299 HG3 GLU 33 HG3 GLU 33 3.901 1.707 -4.960 300 H LEU 34 H LEU 34 4.207 3.561 -0.338 301 HA LEU 34 HA LEU 34 6.346 1.899 0.455 302 HB2 LEU 34 HB2 LEU 34 5.339 4.273 1.311 303 HB3 LEU 34 HB3 LEU 34 4.780 3.205 2.584 304 HG LEU 34 HG LEU 34 7.644 3.639 1.737 305 HD11 LEU 34 HD11 LEU 34 6.944 5.484 3.022 306 HD12 LEU 34 HD12 LEU 34 7.799 4.423 4.141 307 HD13 LEU 34 HD13 LEU 34 6.035 4.463 4.138 308 HD21 LEU 34 HD21 LEU 34 8.316 2.044 3.311 309 HD22 LEU 34 HD22 LEU 34 6.980 1.277 2.456 310 HD23 LEU 34 HD23 LEU 34 6.719 1.972 4.055 311 H TYR 35 H TYR 35 2.931 1.989 1.479 312 HA TYR 35 HA TYR 35 3.124 -0.199 3.242 313 HB2 TYR 35 HB2 TYR 35 0.810 -0.047 3.489 314 HB3 TYR 35 HB3 TYR 35 1.259 1.589 3.022 315 HD1 TYR 35 HD1 TYR 35 0.037 -1.619 1.546 316 HD2 TYR 35 HD2 TYR 35 0.132 2.626 1.289 317 HE1 TYR 35 HE1 TYR 35 -1.591 -1.702 -0.295 318 HE2 TYR 35 HE2 TYR 35 -1.493 2.557 -0.555 319 HH TYR 35 HH TYR 35 -2.333 -0.344 -2.158 320 H LYS 36 H LYS 36 2.674 0.011 -0.202 321 HA LYS 36 HA LYS 36 1.811 -2.704 -0.537 322 HB2 LYS 36 HB2 LYS 36 2.268 -0.380 -2.230 323 HB3 LYS 36 HB3 LYS 36 2.853 -1.861 -2.976 324 HG2 LYS 36 HG2 LYS 36 0.125 -1.804 -1.778 325 HG3 LYS 36 HG3 LYS 36 0.403 -1.066 -3.356 326 HD2 LYS 36 HD2 LYS 36 1.609 -3.357 -3.842 327 HD3 LYS 36 HD3 LYS 36 0.566 -3.926 -2.535 328 HE2 LYS 36 HE2 LYS 36 -0.620 -4.313 -4.543 329 HE3 LYS 36 HE3 LYS 36 -1.364 -2.901 -3.794 330 HZ1 LYS 36 HZ1 LYS 36 -1.020 -2.615 -6.183 331 HZ2 LYS 36 HZ2 LYS 36 0.648 -2.810 -5.977 332 HZ3 LYS 36 HZ3 LYS 36 -0.140 -1.479 -5.290 333 H TYR 37 H TYR 37 4.870 -0.975 -0.676 334 HA TYR 37 HA TYR 37 6.456 -2.978 -1.817 335 HB2 TYR 37 HB2 TYR 37 7.334 -0.759 -1.620 336 HB3 TYR 37 HB3 TYR 37 7.127 -0.765 0.128 337 HD1 TYR 37 HD1 TYR 37 9.186 -1.966 -2.663 338 HD2 TYR 37 HD2 TYR 37 8.720 -1.880 1.565 339 HE1 TYR 37 HE1 TYR 37 11.495 -2.769 -2.398 340 HE2 TYR 37 HE2 TYR 37 11.027 -2.684 1.841 341 HH TYR 37 HH TYR 37 12.732 -3.849 0.618 342 H ALA 38 H ALA 38 5.826 -2.249 1.609 343 HA ALA 38 HA ALA 38 7.368 -4.338 2.678 344 HB1 ALA 38 HB1 ALA 38 5.266 -2.522 3.677 345 HB2 ALA 38 HB2 ALA 38 6.860 -2.890 4.337 346 HB3 ALA 38 HB3 ALA 38 5.521 -4.008 4.594 347 H LEU 39 H LEU 39 4.201 -4.300 1.264 348 HA LEU 39 HA LEU 39 3.390 -6.831 2.370 349 HB2 LEU 39 HB2 LEU 39 2.229 -4.769 0.634 350 HB3 LEU 39 HB3 LEU 39 1.736 -6.403 0.232 351 HG LEU 39 HG LEU 39 1.567 -5.725 3.095 352 HD11 LEU 39 HD11 LEU 39 0.656 -3.699 2.673 353 HD12 LEU 39 HD12 LEU 39 -0.783 -4.674 2.372 354 HD13 LEU 39 HD13 LEU 39 0.206 -4.121 1.021 355 HD21 LEU 39 HD21 LEU 39 0.689 -7.752 1.548 356 HD22 LEU 39 HD22 LEU 39 -0.743 -6.722 1.567 357 HD23 LEU 39 HD23 LEU 39 -0.050 -7.294 3.083 358 H ASN 40 H ASN 40 4.980 -5.701 -0.521 359 HA ASN 40 HA ASN 40 4.665 -8.179 -1.948 360 HB2 ASN 40 HB2 ASN 40 4.937 -5.842 -2.972 361 HB3 ASN 40 HB3 ASN 40 6.653 -6.017 -2.611 362 HD21 ASN 40 HD21 ASN 40 4.470 -6.302 -4.982 363 HD22 ASN 40 HD22 ASN 40 5.228 -7.507 -5.961 364 H GLU 41 H GLU 41 7.256 -6.576 -0.165 365 HA GLU 41 HA GLU 41 9.305 -8.395 -0.732 366 HB2 GLU 41 HB2 GLU 41 10.340 -7.550 1.391 367 HB3 GLU 41 HB3 GLU 41 9.868 -6.296 0.253 368 HG2 GLU 41 HG2 GLU 41 8.923 -5.328 2.021 369 HG3 GLU 41 HG3 GLU 41 7.633 -6.507 1.789 370 H ASN 42 H ASN 42 6.527 -8.743 1.254 371 HA ASN 42 HA ASN 42 7.335 -10.487 3.232 372 HB2 ASN 42 HB2 ASN 42 4.772 -10.245 1.681 373 HB3 ASN 42 HB3 ASN 42 4.967 -11.495 2.906 374 HD21 ASN 42 HD21 ASN 42 6.259 -10.346 4.902 375 HD22 ASN 42 HD22 ASN 42 5.387 -8.993 5.532 376 H SER 43 H SER 43 6.910 -11.083 -0.179 377 HA SER 43 HA SER 43 7.609 -13.913 0.249 378 HB2 SER 43 HB2 SER 43 5.398 -13.464 -0.861 379 HB3 SER 43 HB3 SER 43 6.282 -12.726 -2.197 380 HG SER 43 HG SER 43 7.437 -14.823 -2.279 381 H ASN 44 H ASN 44 9.486 -11.709 0.183 382 HA ASN 44 HA ASN 44 10.978 -12.401 -2.263 383 HB2 ASN 44 HB2 ASN 44 10.224 -10.021 -2.156 384 HB3 ASN 44 HB3 ASN 44 11.181 -9.824 -0.691 385 HD21 ASN 44 HD21 ASN 44 13.291 -9.393 -0.858 386 HD22 ASN 44 HD22 ASN 44 14.169 -9.326 -2.344 387 H ASP 45 H ASP 45 13.360 -12.263 -2.025 388 HA ASP 45 HA ASP 45 15.314 -12.874 -1.037 389 HB2 ASP 45 HB2 ASP 45 14.299 -11.022 0.650 390 HB3 ASP 45 HB3 ASP 45 14.366 -12.411 1.732 391 H ARG 46 H ARG 46 16.287 -14.501 0.438 392 HA ARG 46 HA ARG 46 16.425 -16.627 1.226 393 HB2 ARG 46 HB2 ARG 46 14.077 -15.489 2.438 394 HB3 ARG 46 HB3 ARG 46 13.819 -17.203 2.147 395 HG2 ARG 46 HG2 ARG 46 16.110 -17.526 3.263 396 HG3 ARG 46 HG3 ARG 46 15.891 -15.876 3.849 397 HD2 ARG 46 HD2 ARG 46 14.554 -16.594 5.468 398 HD3 ARG 46 HD3 ARG 46 13.484 -17.349 4.288 399 HE ARG 46 HE ARG 46 14.309 -19.353 4.963 400 HH11 ARG 46 HH11 ARG 46 16.729 -16.927 5.617 401 HH12 ARG 46 HH12 ARG 46 17.828 -18.042 6.355 402 HH21 ARG 46 HH21 ARG 46 15.755 -20.823 5.934 403 HH22 ARG 46 HH22 ARG 46 17.276 -20.255 6.534 404 H SER 47 H SER 47 15.201 -18.865 1.124 405 HA SER 47 HA SER 47 14.384 -20.550 -0.165 406 HB2 SER 47 HB2 SER 47 12.579 -18.404 -0.558 407 HB3 SER 47 HB3 SER 47 12.868 -19.116 -2.145 408 HG SER 47 HG SER 47 12.182 -20.610 0.169 409 H GLU 48 H GLU 48 14.446 -18.001 -2.644 410 HA GLU 48 HA GLU 48 16.915 -18.875 -3.778 411 HB2 GLU 48 HB2 GLU 48 14.447 -20.137 -4.669 412 HB3 GLU 48 HB3 GLU 48 15.290 -19.339 -5.989 413 HG2 GLU 48 HG2 GLU 48 17.363 -20.604 -4.927 414 HG3 GLU 48 HG3 GLU 48 16.086 -21.682 -4.364 415 H HIS 49 H HIS 49 17.669 -17.488 -5.385 416 HA HIS 49 HA HIS 49 16.126 -15.008 -5.647 417 HB2 HIS 49 HB2 HIS 49 18.372 -14.097 -6.462 418 HB3 HIS 49 HB3 HIS 49 18.265 -14.543 -4.764 419 HD1 HIS 49 HD1 HIS 49 19.928 -15.483 -7.963 420 HD2 HIS 49 HD2 HIS 49 19.796 -16.786 -4.020 421 HE1 HIS 49 HE1 HIS 49 21.834 -17.105 -7.728 422 HE2 HIS 49 HE2 HIS 49 21.788 -17.815 -5.311 423 H HIS 50 H HIS 50 16.923 -13.819 -7.823 424 HA HIS 50 HA HIS 50 16.795 -15.701 -10.060 425 HB2 HIS 50 HB2 HIS 50 14.527 -14.414 -9.182 426 HB3 HIS 50 HB3 HIS 50 15.098 -13.340 -10.454 427 HD1 HIS 50 HD1 HIS 50 16.243 -16.236 -11.838 428 HD2 HIS 50 HD2 HIS 50 12.381 -14.898 -11.093 429 HE1 HIS 50 HE1 HIS 50 14.770 -17.527 -13.413 430 HE2 HIS 50 HE2 HIS 50 12.450 -16.631 -13.011 431 H LYS 51 H LYS 51 17.759 -14.983 -11.942 432 HA LYS 51 HA LYS 51 19.189 -13.795 -13.251 433 HB2 LYS 51 HB2 LYS 51 18.006 -11.446 -11.759 434 HB3 LYS 51 HB3 LYS 51 19.009 -11.322 -13.198 435 HG2 LYS 51 HG2 LYS 51 17.348 -12.467 -14.514 436 HG3 LYS 51 HG3 LYS 51 16.365 -12.755 -13.077 437 HD2 LYS 51 HD2 LYS 51 16.039 -10.360 -12.797 438 HD3 LYS 51 HD3 LYS 51 17.075 -10.040 -14.188 439 HE2 LYS 51 HE2 LYS 51 15.172 -10.027 -15.368 440 HE3 LYS 51 HE3 LYS 51 15.242 -11.783 -15.226 441 HZ1 LYS 51 HZ1 LYS 51 14.044 -11.154 -12.940 442 HZ2 LYS 51 HZ2 LYS 51 13.197 -11.484 -14.368 443 HZ3 LYS 51 HZ3 LYS 51 13.485 -9.883 -13.906 444 H LYS 52 H LYS 52 21.152 -12.379 -13.201 445 HA LYS 52 HA LYS 52 22.528 -12.710 -10.623 446 HB2 LYS 52 HB2 LYS 52 23.638 -12.578 -13.431 447 HB3 LYS 52 HB3 LYS 52 24.624 -12.650 -11.978 448 HG2 LYS 52 HG2 LYS 52 23.231 -14.804 -11.491 449 HG3 LYS 52 HG3 LYS 52 22.937 -14.759 -13.230 450 HD2 LYS 52 HD2 LYS 52 25.657 -14.304 -13.014 451 HD3 LYS 52 HD3 LYS 52 25.336 -15.504 -11.760 452 HE2 LYS 52 HE2 LYS 52 24.055 -15.985 -14.373 453 HE3 LYS 52 HE3 LYS 52 25.813 -16.114 -14.342 454 HZ1 LYS 52 HZ1 LYS 52 24.427 -17.453 -12.175 455 HZ2 LYS 52 HZ2 LYS 52 25.739 -17.974 -13.110 456 HZ3 LYS 52 HZ3 LYS 52 24.163 -18.110 -13.711 457 HA PRO 53 HA PRO 53 22.906 -8.312 -10.349 458 HB2 PRO 53 HB2 PRO 53 24.950 -8.101 -8.612 459 HB3 PRO 53 HB3 PRO 53 23.365 -8.710 -8.121 460 HG2 PRO 53 HG2 PRO 53 25.854 -10.233 -8.786 461 HG3 PRO 53 HG3 PRO 53 24.705 -10.493 -7.462 462 HD2 PRO 53 HD2 PRO 53 24.696 -11.949 -9.773 463 HD3 PRO 53 HD3 PRO 53 23.245 -11.657 -8.794 464 H ARG 54 H ARG 54 23.855 -8.925 -12.750 465 HA ARG 54 HA ARG 54 25.320 -8.337 -14.389 466 HB2 ARG 54 HB2 ARG 54 26.062 -6.298 -12.290 467 HB3 ARG 54 HB3 ARG 54 26.715 -6.283 -13.923 468 HG2 ARG 54 HG2 ARG 54 24.898 -5.301 -14.732 469 HG3 ARG 54 HG3 ARG 54 23.830 -6.464 -13.944 470 HD2 ARG 54 HD2 ARG 54 24.629 -4.992 -11.820 471 HD3 ARG 54 HD3 ARG 54 24.666 -3.772 -13.092 472 HE ARG 54 HE ARG 54 22.341 -5.013 -11.944 473 HH11 ARG 54 HH11 ARG 54 23.618 -3.370 -14.746 474 HH12 ARG 54 HH12 ARG 54 22.069 -2.817 -15.283 475 HH21 ARG 54 HH21 ARG 54 20.300 -4.287 -12.650 476 HH22 ARG 54 HH22 ARG 54 20.185 -3.337 -14.093 477 H ILE 55 H ILE 55 26.498 -10.254 -14.426 478 HA ILE 55 HA ILE 55 28.967 -10.327 -12.837 479 HB ILE 55 HB ILE 55 27.520 -12.306 -12.668 480 HG12 ILE 55 HG12 ILE 55 29.274 -14.012 -13.379 481 HG13 ILE 55 HG13 ILE 55 30.188 -12.657 -14.035 482 HG21 ILE 55 HG21 ILE 55 26.422 -12.347 -14.766 483 HG22 ILE 55 HG22 ILE 55 27.386 -13.821 -14.674 484 HG23 ILE 55 HG23 ILE 55 27.950 -12.459 -15.641 485 HD11 ILE 55 HD11 ILE 55 31.139 -12.839 -11.976 486 HD12 ILE 55 HD12 ILE 55 29.651 -13.397 -11.213 487 HD13 ILE 55 HD13 ILE 55 29.851 -11.691 -11.614 488 H ASP 56 H ASP 56 27.737 -10.269 -16.110 489 HA ASP 56 HA ASP 56 30.192 -10.866 -17.410 490 HB2 ASP 56 HB2 ASP 56 27.612 -9.607 -18.313 491 HB3 ASP 56 HB3 ASP 56 28.996 -9.729 -19.395 492 H ASP 57 H ASP 57 31.839 -9.585 -18.030 493 HA ASP 57 HA ASP 57 31.563 -6.697 -18.006 494 HB2 ASP 57 HB2 ASP 57 32.245 -7.616 -15.648 495 HB3 ASP 57 HB3 ASP 57 33.828 -7.820 -16.394 496 H SER 58 H SER 58 32.611 -5.903 -19.702 497 HA SER 58 HA SER 58 34.435 -7.595 -21.183 498 HB2 SER 58 HB2 SER 58 32.585 -5.680 -21.918 499 HB3 SER 58 HB3 SER 58 34.122 -4.844 -22.143 500 HG SER 58 HG SER 58 33.010 -6.638 -23.726 501 H SER 59 H SER 59 34.624 -4.174 -20.183 502 HA SER 59 HA SER 59 37.426 -4.024 -20.436 503 HB2 SER 59 HB2 SER 59 35.275 -2.297 -19.385 504 HB3 SER 59 HB3 SER 59 36.869 -2.016 -18.685 505 HG SER 59 HG SER 59 37.360 -1.024 -20.456 506 H ASP 60 H ASP 60 38.423 -5.692 -19.333 507 HA ASP 60 HA ASP 60 38.475 -5.375 -16.416 508 HB2 ASP 60 HB2 ASP 60 37.145 -7.453 -17.517 509 HB3 ASP 60 HB3 ASP 60 38.763 -8.143 -17.430 510 H LEU 61 H LEU 61 40.444 -4.243 -16.734 511 HA LEU 61 HA LEU 61 42.708 -4.041 -16.802 512 HB2 LEU 61 HB2 LEU 61 42.248 -6.869 -16.089 513 HB3 LEU 61 HB3 LEU 61 43.847 -6.497 -16.704 514 HG LEU 61 HG LEU 61 43.938 -4.656 -14.939 515 HD11 LEU 61 HD11 LEU 61 41.960 -6.199 -13.373 516 HD12 LEU 61 HD12 LEU 61 41.329 -5.098 -14.597 517 HD13 LEU 61 HD13 LEU 61 42.372 -4.484 -13.313 518 HD21 LEU 61 HD21 LEU 61 44.915 -6.097 -13.413 519 HD22 LEU 61 HD22 LEU 61 44.972 -7.033 -14.906 520 HD23 LEU 61 HD23 LEU 61 43.729 -7.371 -13.700 521 H LEU 62 H LEU 62 44.566 -4.293 -18.179 522 HA LEU 62 HA LEU 62 43.823 -4.695 -20.922 523 HB2 LEU 62 HB2 LEU 62 45.921 -3.381 -19.479 524 HB3 LEU 62 HB3 LEU 62 46.634 -4.423 -20.694 525 HG LEU 62 HG LEU 62 44.928 -3.277 -22.304 526 HD11 LEU 62 HD11 LEU 62 43.876 -2.112 -20.254 527 HD12 LEU 62 HD12 LEU 62 44.126 -1.180 -21.731 528 HD13 LEU 62 HD13 LEU 62 45.247 -1.010 -20.380 529 HD21 LEU 62 HD21 LEU 62 46.573 -1.572 -22.826 530 HD22 LEU 62 HD22 LEU 62 47.374 -3.092 -22.429 531 HD23 LEU 62 HD23 LEU 62 47.325 -1.786 -21.246 532 H LYS 63 H LYS 63 46.643 -5.993 -19.173 533 HA LYS 63 HA LYS 63 46.486 -8.401 -20.826 534 HB2 LYS 63 HB2 LYS 63 48.628 -6.866 -19.637 535 HB3 LYS 63 HB3 LYS 63 48.751 -8.557 -19.173 536 HG2 LYS 63 HG2 LYS 63 49.872 -8.763 -21.098 537 HG3 LYS 63 HG3 LYS 63 48.265 -8.794 -21.825 538 HD2 LYS 63 HD2 LYS 63 48.505 -6.219 -21.889 539 HD3 LYS 63 HD3 LYS 63 50.227 -6.536 -21.670 540 HE2 LYS 63 HE2 LYS 63 48.444 -7.374 -23.940 541 HE3 LYS 63 HE3 LYS 63 49.899 -6.377 -23.999 542 HZ1 LYS 63 HZ1 LYS 63 50.820 -8.311 -24.642 543 HZ2 LYS 63 HZ2 LYS 63 49.634 -9.270 -23.907 544 HZ3 LYS 63 HZ3 LYS 63 50.891 -8.619 -22.981 545 H THR 64 H THR 64 46.827 -10.508 -19.823 546 HA THR 64 HA THR 64 45.513 -10.646 -17.196 547 HB THR 64 HB THR 64 45.755 -12.781 -19.326 548 HG1 THR 64 HG1 THR 64 43.968 -12.024 -20.101 549 HG21 THR 64 HG21 THR 64 43.859 -13.816 -18.017 550 HG22 THR 64 HG22 THR 64 44.313 -12.735 -16.699 551 HG23 THR 64 HG23 THR 64 45.468 -13.924 -17.301 552 H ASP 65 H ASP 65 47.494 -10.263 -16.066 553 HA ASP 65 HA ASP 65 49.081 -12.706 -15.776 554 HB2 ASP 65 HB2 ASP 65 50.083 -10.541 -17.153 555 HB3 ASP 65 HB3 ASP 65 50.692 -10.268 -15.523 556 H GLU 66 H GLU 66 49.147 -9.385 -14.472 557 HA GLU 66 HA GLU 66 49.660 -10.266 -11.821 558 HB2 GLU 66 HB2 GLU 66 48.644 -7.581 -12.769 559 HB3 GLU 66 HB3 GLU 66 49.342 -7.922 -11.191 560 HG2 GLU 66 HG2 GLU 66 51.460 -7.941 -11.974 561 HG3 GLU 66 HG3 GLU 66 50.994 -8.604 -13.540 562 H ILE 67 H ILE 67 48.091 -9.033 -10.088 563 HA ILE 67 HA ILE 67 45.537 -10.419 -10.404 564 HB ILE 67 HB ILE 67 46.586 -9.053 -7.929 565 HG12 ILE 67 HG12 ILE 67 46.859 -11.727 -7.454 566 HG13 ILE 67 HG13 ILE 67 47.284 -11.640 -9.161 567 HG21 ILE 67 HG21 ILE 67 44.332 -9.382 -7.575 568 HG22 ILE 67 HG22 ILE 67 45.017 -10.875 -6.932 569 HG23 ILE 67 HG23 ILE 67 44.289 -10.860 -8.538 570 HD11 ILE 67 HD11 ILE 67 49.328 -11.333 -8.217 571 HD12 ILE 67 HD12 ILE 67 48.675 -10.514 -6.798 572 HD13 ILE 67 HD13 ILE 67 48.797 -9.655 -8.333 573 H1 GLY 68 H1 GLY 68 19.341 12.735 17.362 574 H2 GLY 68 H2 GLY 68 21.024 12.863 17.488 575 H3 GLY 68 H3 GLY 68 20.282 12.928 15.969 576 HA2 GLY 68 HA2 GLY 68 21.052 15.100 17.204 577 HA3 GLY 68 HA3 GLY 68 19.617 15.067 16.191 578 H HIS 69 H HIS 69 17.545 14.888 17.202 579 HA HIS 69 HA HIS 69 17.565 15.873 19.976 580 HB2 HIS 69 HB2 HIS 69 16.432 17.026 17.733 581 HB3 HIS 69 HB3 HIS 69 15.065 16.224 18.499 582 HD1 HIS 69 HD1 HIS 69 15.326 16.741 21.372 583 HD2 HIS 69 HD2 HIS 69 16.455 19.587 18.562 584 HE1 HIS 69 HE1 HIS 69 15.274 18.942 22.586 585 HE2 HIS 69 HE2 HIS 69 15.876 20.659 20.843 586 H MET 70 H MET 70 16.162 13.553 17.760 587 HA MET 70 HA MET 70 14.967 11.646 18.089 588 HB2 MET 70 HB2 MET 70 16.819 11.249 19.745 589 HB3 MET 70 HB3 MET 70 15.763 11.896 20.992 590 HG2 MET 70 HG2 MET 70 14.148 10.117 20.544 591 HG3 MET 70 HG3 MET 70 15.215 9.467 19.302 592 HE1 MET 70 HE1 MET 70 15.463 9.522 23.747 593 HE2 MET 70 HE2 MET 70 14.462 8.229 23.086 594 HE3 MET 70 HE3 MET 70 14.147 9.905 22.637 595 H MET 71 H MET 71 12.920 12.362 17.663 596 HA MET 71 HA MET 71 11.344 13.367 19.934 597 HB2 MET 71 HB2 MET 71 10.979 13.658 16.955 598 HB3 MET 71 HB3 MET 71 9.719 14.072 18.109 599 HG2 MET 71 HG2 MET 71 12.364 15.261 18.613 600 HG3 MET 71 HG3 MET 71 11.525 15.818 17.164 601 HE1 MET 71 HE1 MET 71 10.601 18.805 18.827 602 HE2 MET 71 HE2 MET 71 11.996 17.924 18.202 603 HE3 MET 71 HE3 MET 71 11.819 18.181 19.939 604 H SER 72 H SER 72 8.851 12.822 19.408 605 HA SER 72 HA SER 72 8.657 9.990 19.776 606 HB2 SER 72 HB2 SER 72 6.130 10.557 19.738 607 HB3 SER 72 HB3 SER 72 7.110 11.217 21.048 608 HG SER 72 HG SER 72 5.801 12.830 20.157 609 H LYS 73 H LYS 73 9.512 9.240 17.755 610 HA LYS 73 HA LYS 73 7.493 8.616 15.862 611 HB2 LYS 73 HB2 LYS 73 8.205 11.037 15.296 612 HB3 LYS 73 HB3 LYS 73 9.691 10.308 14.701 613 HG2 LYS 73 HG2 LYS 73 8.635 9.261 12.943 614 HG3 LYS 73 HG3 LYS 73 7.061 9.278 13.742 615 HD2 LYS 73 HD2 LYS 73 6.633 11.004 12.364 616 HD3 LYS 73 HD3 LYS 73 7.578 11.938 13.526 617 HE2 LYS 73 HE2 LYS 73 9.598 11.526 12.187 618 HE3 LYS 73 HE3 LYS 73 8.627 10.635 11.015 619 HZ1 LYS 73 HZ1 LYS 73 7.323 12.694 10.680 620 HZ2 LYS 73 HZ2 LYS 73 8.945 12.849 10.226 621 HZ3 LYS 73 HZ3 LYS 73 8.407 13.519 11.683 622 H LEU 74 H LEU 74 7.989 6.557 15.530 623 HA LEU 74 HA LEU 74 10.726 5.880 14.731 624 HB2 LEU 74 HB2 LEU 74 9.291 4.935 17.115 625 HB3 LEU 74 HB3 LEU 74 10.004 3.657 16.147 626 HG LEU 74 HG LEU 74 12.148 5.186 16.278 627 HD11 LEU 74 HD11 LEU 74 10.523 6.802 17.681 628 HD12 LEU 74 HD12 LEU 74 12.269 6.726 17.920 629 HD13 LEU 74 HD13 LEU 74 11.193 5.828 18.991 630 HD21 LEU 74 HD21 LEU 74 12.570 4.030 18.590 631 HD22 LEU 74 HD22 LEU 74 12.403 3.068 17.122 632 HD23 LEU 74 HD23 LEU 74 11.041 3.227 18.231 633 H PHE 75 H PHE 75 10.434 5.242 12.692 634 HA PHE 75 HA PHE 75 9.088 2.841 12.081 635 HB2 PHE 75 HB2 PHE 75 7.126 4.413 12.344 636 HB3 PHE 75 HB3 PHE 75 7.734 5.291 10.945 637 HD1 PHE 75 HD1 PHE 75 8.063 3.932 8.779 638 HD2 PHE 75 HD2 PHE 75 5.686 2.626 12.059 639 HE1 PHE 75 HE1 PHE 75 6.861 2.389 7.289 640 HE2 PHE 75 HE2 PHE 75 4.479 1.080 10.575 641 HZ PHE 75 HZ PHE 75 5.065 0.960 8.185 642 H LEU 76 H LEU 76 10.141 5.961 10.762 643 HA LEU 76 HA LEU 76 11.068 4.663 8.323 644 HB2 LEU 76 HB2 LEU 76 11.169 7.570 9.131 645 HB3 LEU 76 HB3 LEU 76 11.566 6.931 7.548 646 HG LEU 76 HG LEU 76 9.095 6.022 7.637 647 HD11 LEU 76 HD11 LEU 76 7.987 8.249 8.830 648 HD12 LEU 76 HD12 LEU 76 9.256 7.764 9.954 649 HD13 LEU 76 HD13 LEU 76 8.006 6.613 9.486 650 HD21 LEU 76 HD21 LEU 76 9.689 7.472 5.907 651 HD22 LEU 76 HD22 LEU 76 10.039 8.799 7.015 652 HD23 LEU 76 HD23 LEU 76 8.369 8.308 6.726 653 H ASP 77 H ASP 77 12.306 6.066 11.267 654 HA ASP 77 HA ASP 77 14.982 6.434 10.533 655 HB2 ASP 77 HB2 ASP 77 13.437 6.398 12.979 656 HB3 ASP 77 HB3 ASP 77 15.003 5.630 13.222 657 H GLU 78 H GLU 78 13.206 3.554 11.390 658 HA GLU 78 HA GLU 78 15.610 1.951 11.639 659 HB2 GLU 78 HB2 GLU 78 12.726 1.048 11.590 660 HB3 GLU 78 HB3 GLU 78 14.112 0.103 12.116 661 HG2 GLU 78 HG2 GLU 78 14.310 1.237 14.100 662 HG3 GLU 78 HG3 GLU 78 13.516 2.684 13.477 663 H LEU 79 H LEU 79 12.911 2.335 9.384 664 HA LEU 79 HA LEU 79 13.463 0.289 7.602 665 HB2 LEU 79 HB2 LEU 79 12.156 2.951 7.403 666 HB3 LEU 79 HB3 LEU 79 12.573 2.150 5.901 667 HG LEU 79 HG LEU 79 11.049 0.619 7.961 668 HD11 LEU 79 HD11 LEU 79 9.554 2.264 5.977 669 HD12 LEU 79 HD12 LEU 79 10.071 3.002 7.495 670 HD13 LEU 79 HD13 LEU 79 9.018 1.586 7.515 671 HD21 LEU 79 HD21 LEU 79 11.781 -0.578 6.019 672 HD22 LEU 79 HD22 LEU 79 11.134 0.665 4.948 673 HD23 LEU 79 HD23 LEU 79 10.039 -0.339 5.898 674 HA PRO 80 HA PRO 80 17.076 0.960 5.162 675 HB2 PRO 80 HB2 PRO 80 15.323 1.895 2.924 676 HB3 PRO 80 HB3 PRO 80 16.667 0.749 2.891 677 HG2 PRO 80 HG2 PRO 80 14.148 -0.114 2.863 678 HG3 PRO 80 HG3 PRO 80 15.396 -0.974 3.780 679 HD2 PRO 80 HD2 PRO 80 13.177 0.736 4.754 680 HD3 PRO 80 HD3 PRO 80 13.990 -0.622 5.554 681 H GLU 81 H GLU 81 17.854 2.725 6.336 682 HA GLU 81 HA GLU 81 17.057 5.330 6.348 683 HB2 GLU 81 HB2 GLU 81 19.465 5.910 6.761 684 HB3 GLU 81 HB3 GLU 81 18.827 4.630 7.783 685 HG2 GLU 81 HG2 GLU 81 20.457 3.288 7.146 686 HG3 GLU 81 HG3 GLU 81 19.930 3.424 5.469 687 H SER 82 H SER 82 18.647 3.655 3.739 688 HA SER 82 HA SER 82 19.543 5.934 2.317 689 HB2 SER 82 HB2 SER 82 20.329 3.579 1.929 690 HB3 SER 82 HB3 SER 82 18.779 3.248 1.155 691 HG SER 82 HG SER 82 20.518 5.327 0.331 692 H LEU 83 H LEU 83 16.635 3.904 1.949 693 HA LEU 83 HA LEU 83 15.512 5.708 -0.002 694 HB2 LEU 83 HB2 LEU 83 13.866 4.134 -0.341 695 HB3 LEU 83 HB3 LEU 83 15.202 3.133 0.190 696 HG LEU 83 HG LEU 83 14.096 3.417 2.555 697 HD11 LEU 83 HD11 LEU 83 12.329 4.928 1.115 698 HD12 LEU 83 HD12 LEU 83 12.002 4.188 2.680 699 HD13 LEU 83 HD13 LEU 83 11.511 3.368 1.197 700 HD21 LEU 83 HD21 LEU 83 14.387 1.321 1.258 701 HD22 LEU 83 HD22 LEU 83 12.842 1.640 0.469 702 HD23 LEU 83 HD23 LEU 83 12.903 1.361 2.210 703 H SER 84 H SER 84 15.009 4.952 3.405 704 HA SER 84 HA SER 84 12.681 6.362 3.896 705 HB2 SER 84 HB2 SER 84 15.101 6.044 5.688 706 HB3 SER 84 HB3 SER 84 13.515 6.595 6.228 707 HG SER 84 HG SER 84 13.935 4.118 4.920 708 H ARG 85 H ARG 85 15.852 7.548 3.185 709 HA ARG 85 HA ARG 85 15.739 10.102 4.299 710 HB2 ARG 85 HB2 ARG 85 17.250 8.808 2.103 711 HB3 ARG 85 HB3 ARG 85 17.189 10.566 2.076 712 HG2 ARG 85 HG2 ARG 85 18.230 10.726 4.194 713 HG3 ARG 85 HG3 ARG 85 18.031 8.999 4.498 714 HD2 ARG 85 HD2 ARG 85 19.992 8.580 3.545 715 HD3 ARG 85 HD3 ARG 85 19.456 9.346 2.050 716 HE ARG 85 HE ARG 85 21.171 10.475 4.067 717 HH11 ARG 85 HH11 ARG 85 18.976 11.182 1.447 718 HH12 ARG 85 HH12 ARG 85 19.658 12.741 1.130 719 HH21 ARG 85 HH21 ARG 85 22.068 12.527 3.651 720 HH22 ARG 85 HH22 ARG 85 21.414 13.505 2.381 721 H LYS 86 H LYS 86 14.619 8.939 1.129 722 HA LYS 86 HA LYS 86 13.788 11.481 0.196 723 HB2 LYS 86 HB2 LYS 86 12.940 10.382 -1.658 724 HB3 LYS 86 HB3 LYS 86 14.172 9.257 -1.107 725 HG2 LYS 86 HG2 LYS 86 12.306 8.054 0.129 726 HG3 LYS 86 HG3 LYS 86 11.192 9.045 -0.814 727 HD2 LYS 86 HD2 LYS 86 13.154 7.923 -2.565 728 HD3 LYS 86 HD3 LYS 86 12.466 6.636 -1.574 729 HE2 LYS 86 HE2 LYS 86 11.297 7.163 -3.776 730 HE3 LYS 86 HE3 LYS 86 10.289 7.060 -2.334 731 HZ1 LYS 86 HZ1 LYS 86 10.036 9.036 -3.988 732 HZ2 LYS 86 HZ2 LYS 86 11.351 9.676 -3.136 733 HZ3 LYS 86 HZ3 LYS 86 9.915 9.303 -2.324 734 H ILE 87 H ILE 87 12.125 8.904 1.944 735 HA ILE 87 HA ILE 87 9.567 10.188 1.867 736 HB ILE 87 HB ILE 87 10.450 8.068 3.821 737 HG12 ILE 87 HG12 ILE 87 9.322 7.718 1.033 738 HG13 ILE 87 HG13 ILE 87 10.964 7.332 1.536 739 HG21 ILE 87 HG21 ILE 87 8.391 8.490 4.594 740 HG22 ILE 87 HG22 ILE 87 7.841 7.596 3.177 741 HG23 ILE 87 HG23 ILE 87 7.916 9.358 3.135 742 HD11 ILE 87 HD11 ILE 87 8.924 5.562 1.417 743 HD12 ILE 87 HD12 ILE 87 8.869 6.034 3.116 744 HD13 ILE 87 HD13 ILE 87 10.355 5.376 2.432 745 H GLY 88 H GLY 88 12.343 10.283 3.965 746 HA2 GLY 88 HA2 GLY 88 11.058 11.374 6.250 747 HA3 GLY 88 HA3 GLY 88 12.780 11.434 5.905 748 H THR 89 H THR 89 12.220 12.785 3.286 749 HA THR 89 HA THR 89 12.271 15.466 4.325 750 HB THR 89 HB THR 89 13.761 14.777 2.488 751 HG1 THR 89 HG1 THR 89 13.635 16.838 2.162 752 HG21 THR 89 HG21 THR 89 12.872 13.435 0.937 753 HG22 THR 89 HG22 THR 89 12.397 14.951 0.174 754 HG23 THR 89 HG23 THR 89 11.242 14.065 1.166 755 H VAL 90 H VAL 90 10.006 13.460 2.543 756 HA VAL 90 HA VAL 90 8.178 15.634 2.039 757 HB VAL 90 HB VAL 90 8.317 13.728 0.489 758 HG11 VAL 90 HG11 VAL 90 8.738 11.981 2.179 759 HG12 VAL 90 HG12 VAL 90 7.433 11.556 1.072 760 HG13 VAL 90 HG13 VAL 90 7.059 12.112 2.703 761 HG21 VAL 90 HG21 VAL 90 6.309 14.915 0.321 762 HG22 VAL 90 HG22 VAL 90 5.705 14.288 1.855 763 HG23 VAL 90 HG23 VAL 90 5.807 13.228 0.447 764 H VAL 91 H VAL 91 8.314 12.858 4.246 765 HA VAL 91 HA VAL 91 5.817 13.270 5.468 766 HB VAL 91 HB VAL 91 8.298 12.035 6.681 767 HG11 VAL 91 HG11 VAL 91 6.421 12.713 8.253 768 HG12 VAL 91 HG12 VAL 91 6.907 11.019 8.293 769 HG13 VAL 91 HG13 VAL 91 5.438 11.495 7.441 770 HG21 VAL 91 HG21 VAL 91 7.803 10.065 5.664 771 HG22 VAL 91 HG22 VAL 91 7.141 11.158 4.449 772 HG23 VAL 91 HG23 VAL 91 6.070 10.394 5.623 773 H ARG 92 H ARG 92 8.982 14.678 6.047 774 HA ARG 92 HA ARG 92 8.705 15.779 8.548 775 HB2 ARG 92 HB2 ARG 92 10.255 16.399 6.143 776 HB3 ARG 92 HB3 ARG 92 9.937 17.813 7.140 777 HG2 ARG 92 HG2 ARG 92 10.748 16.245 9.076 778 HG3 ARG 92 HG3 ARG 92 11.530 15.378 7.754 779 HD2 ARG 92 HD2 ARG 92 13.014 17.041 7.361 780 HD3 ARG 92 HD3 ARG 92 11.855 18.311 7.756 781 HE ARG 92 HE ARG 92 12.749 18.362 9.845 782 HH11 ARG 92 HH11 ARG 92 13.379 15.212 8.483 783 HH12 ARG 92 HH12 ARG 92 14.307 14.672 9.841 784 HH21 ARG 92 HH21 ARG 92 13.969 17.653 11.633 785 HH22 ARG 92 HH22 ARG 92 14.642 16.058 11.630 786 H VAL 93 H VAL 93 7.140 16.702 5.588 787 HA VAL 93 HA VAL 93 6.154 19.217 6.584 788 HB VAL 93 HB VAL 93 5.377 17.631 4.127 789 HG11 VAL 93 HG11 VAL 93 3.552 19.061 4.641 790 HG12 VAL 93 HG12 VAL 93 4.468 19.855 3.359 791 HG13 VAL 93 HG13 VAL 93 4.627 20.406 5.026 792 HG21 VAL 93 HG21 VAL 93 6.854 18.970 2.899 793 HG22 VAL 93 HG22 VAL 93 7.758 18.531 4.349 794 HG23 VAL 93 HG23 VAL 93 7.033 20.133 4.211 795 H LEU 94 H LEU 94 4.728 16.044 5.830 796 HA LEU 94 HA LEU 94 2.406 16.762 7.475 797 HB2 LEU 94 HB2 LEU 94 2.630 15.631 4.878 798 HB3 LEU 94 HB3 LEU 94 1.925 14.422 5.933 799 HG LEU 94 HG LEU 94 0.202 16.034 6.610 800 HD11 LEU 94 HD11 LEU 94 0.666 18.192 6.347 801 HD12 LEU 94 HD12 LEU 94 0.234 17.969 4.652 802 HD13 LEU 94 HD13 LEU 94 1.921 17.859 5.153 803 HD21 LEU 94 HD21 LEU 94 -1.141 15.634 4.797 804 HD22 LEU 94 HD22 LEU 94 0.154 14.477 4.496 805 HD23 LEU 94 HD23 LEU 94 0.128 16.017 3.637 806 HA PRO 95 HA PRO 95 4.692 13.437 9.793 807 HB2 PRO 95 HB2 PRO 95 4.611 14.658 12.207 808 HB3 PRO 95 HB3 PRO 95 5.885 14.980 11.024 809 HG2 PRO 95 HG2 PRO 95 3.422 16.571 11.637 810 HG3 PRO 95 HG3 PRO 95 5.080 17.138 11.357 811 HD2 PRO 95 HD2 PRO 95 3.154 17.223 9.445 812 HD3 PRO 95 HD3 PRO 95 4.875 16.999 9.068 813 H SER 96 H SER 96 1.746 15.241 10.265 814 HA SER 96 HA SER 96 0.630 13.326 12.126 815 HB2 SER 96 HB2 SER 96 0.101 16.021 11.452 816 HB3 SER 96 HB3 SER 96 -1.345 15.106 11.027 817 HG SER 96 HG SER 96 -1.754 14.876 13.068 818 H SER 97 H SER 97 0.428 14.108 8.708 819 HA SER 97 HA SER 97 -1.846 12.536 8.111 820 HB2 SER 97 HB2 SER 97 -0.880 14.288 6.603 821 HB3 SER 97 HB3 SER 97 0.455 13.189 6.258 822 HG SER 97 HG SER 97 -1.102 12.951 4.669 823 H LEU 98 H LEU 98 1.624 11.837 8.079 824 HA LEU 98 HA LEU 98 1.600 9.304 6.965 825 HB2 LEU 98 HB2 LEU 98 3.517 10.886 7.985 826 HB3 LEU 98 HB3 LEU 98 3.390 9.724 9.289 827 HG LEU 98 HG LEU 98 4.183 9.222 6.432 828 HD11 LEU 98 HD11 LEU 98 5.589 9.634 8.866 829 HD12 LEU 98 HD12 LEU 98 6.235 9.285 7.263 830 HD13 LEU 98 HD13 LEU 98 5.837 7.964 8.360 831 HD21 LEU 98 HD21 LEU 98 3.266 7.266 8.519 832 HD22 LEU 98 HD22 LEU 98 4.350 6.799 7.208 833 HD23 LEU 98 HD23 LEU 98 2.738 7.418 6.844 834 H GLU 99 H GLU 99 0.845 10.293 10.257 835 HA GLU 99 HA GLU 99 0.836 7.815 11.517 836 HB2 GLU 99 HB2 GLU 99 -0.497 10.423 11.992 837 HB3 GLU 99 HB3 GLU 99 -1.161 9.030 12.835 838 HG2 GLU 99 HG2 GLU 99 0.786 8.676 14.046 839 HG3 GLU 99 HG3 GLU 99 1.770 9.611 12.921 840 H ILE 100 H ILE 100 -1.519 9.273 9.385 841 HA ILE 100 HA ILE 100 -3.658 7.493 9.952 842 HB ILE 100 HB ILE 100 -3.179 9.008 7.384 843 HG12 ILE 100 HG12 ILE 100 -4.872 9.951 9.690 844 HG13 ILE 100 HG13 ILE 100 -3.159 10.346 9.593 845 HG21 ILE 100 HG21 ILE 100 -5.265 8.457 6.749 846 HG22 ILE 100 HG22 ILE 100 -5.904 8.558 8.389 847 HG23 ILE 100 HG23 ILE 100 -5.044 7.110 7.865 848 HD11 ILE 100 HD11 ILE 100 -3.782 12.126 8.425 849 HD12 ILE 100 HD12 ILE 100 -5.415 11.500 8.198 850 HD13 ILE 100 HD13 ILE 100 -4.124 11.017 7.098 851 H PHE 101 H PHE 101 -1.025 7.484 7.600 852 HA PHE 101 HA PHE 101 -1.939 5.175 6.196 853 HB2 PHE 101 HB2 PHE 101 0.747 6.555 6.289 854 HB3 PHE 101 HB3 PHE 101 0.391 5.188 5.238 855 HD1 PHE 101 HD1 PHE 101 -1.457 5.434 3.534 856 HD2 PHE 101 HD2 PHE 101 0.179 8.734 5.666 857 HE1 PHE 101 HE1 PHE 101 -2.352 6.969 1.835 858 HE2 PHE 101 HE2 PHE 101 -0.716 10.276 3.971 859 HZ PHE 101 HZ PHE 101 -1.983 9.394 2.052 860 H GLU 102 H GLU 102 0.065 5.731 8.994 861 HA GLU 102 HA GLU 102 1.400 3.276 9.123 862 HB2 GLU 102 HB2 GLU 102 0.673 5.398 11.076 863 HB3 GLU 102 HB3 GLU 102 1.157 3.839 11.726 864 HG2 GLU 102 HG2 GLU 102 3.238 4.000 10.366 865 HG3 GLU 102 HG3 GLU 102 2.761 5.639 9.930 866 H GLU 103 H GLU 103 -1.833 4.214 10.142 867 HA GLU 103 HA GLU 103 -2.421 1.858 11.601 868 HB2 GLU 103 HB2 GLU 103 -3.740 4.283 10.951 869 HB3 GLU 103 HB3 GLU 103 -4.797 2.970 10.446 870 HG2 GLU 103 HG2 GLU 103 -5.463 2.737 12.538 871 HG3 GLU 103 HG3 GLU 103 -3.822 2.286 12.996 872 H LEU 104 H LEU 104 -3.228 2.861 8.280 873 HA LEU 104 HA LEU 104 -4.475 0.398 7.604 874 HB2 LEU 104 HB2 LEU 104 -4.328 1.219 5.273 875 HB3 LEU 104 HB3 LEU 104 -5.055 2.372 6.376 876 HG LEU 104 HG LEU 104 -2.660 3.386 6.498 877 HD11 LEU 104 HD11 LEU 104 -1.096 2.548 5.173 878 HD12 LEU 104 HD12 LEU 104 -2.124 2.779 3.761 879 HD13 LEU 104 HD13 LEU 104 -2.214 1.278 4.682 880 HD21 LEU 104 HD21 LEU 104 -4.330 3.670 4.005 881 HD22 LEU 104 HD22 LEU 104 -3.174 4.845 4.633 882 HD23 LEU 104 HD23 LEU 104 -4.643 4.480 5.539 883 H TYR 105 H TYR 105 -1.196 1.507 7.637 884 HA TYR 105 HA TYR 105 0.019 -0.140 5.772 885 HB2 TYR 105 HB2 TYR 105 0.978 1.700 7.401 886 HB3 TYR 105 HB3 TYR 105 1.351 0.309 8.411 887 HD1 TYR 105 HD1 TYR 105 2.308 -1.728 6.707 888 HD2 TYR 105 HD2 TYR 105 2.848 2.474 6.311 889 HE1 TYR 105 HE1 TYR 105 4.360 -2.120 5.411 890 HE2 TYR 105 HE2 TYR 105 4.901 2.094 5.012 891 HH TYR 105 HH TYR 105 6.596 -0.576 4.990 892 H LYS 106 H LYS 106 -0.614 -0.823 9.208 893 HA LYS 106 HA LYS 106 0.329 -3.529 8.987 894 HB2 LYS 106 HB2 LYS 106 -1.007 -1.945 11.167 895 HB3 LYS 106 HB3 LYS 106 -0.738 -3.675 11.330 896 HG2 LYS 106 HG2 LYS 106 1.430 -1.656 10.802 897 HG3 LYS 106 HG3 LYS 106 1.011 -2.293 12.394 898 HD2 LYS 106 HD2 LYS 106 1.368 -4.486 10.609 899 HD3 LYS 106 HD3 LYS 106 2.752 -3.402 10.445 900 HE2 LYS 106 HE2 LYS 106 3.540 -4.543 12.218 901 HE3 LYS 106 HE3 LYS 106 2.487 -3.465 13.133 902 HZ1 LYS 106 HZ1 LYS 106 2.395 -6.113 13.317 903 HZ2 LYS 106 HZ2 LYS 106 1.237 -5.875 12.106 904 HZ3 LYS 106 HZ3 LYS 106 1.060 -5.118 13.608 905 H TYR 107 H TYR 107 -2.771 -1.901 8.898 906 HA TYR 107 HA TYR 107 -4.449 -4.116 9.255 907 HB2 TYR 107 HB2 TYR 107 -5.357 -1.891 9.371 908 HB3 TYR 107 HB3 TYR 107 -4.860 -1.547 7.718 909 HD1 TYR 107 HD1 TYR 107 -6.003 -2.761 5.830 910 HD2 TYR 107 HD2 TYR 107 -7.441 -2.903 9.831 911 HE1 TYR 107 HE1 TYR 107 -8.194 -3.515 5.008 912 HE2 TYR 107 HE2 TYR 107 -9.637 -3.658 9.021 913 HH TYR 107 HH TYR 107 -10.685 -3.356 5.993 914 H ALA 108 H ALA 108 -3.219 -2.647 6.254 915 HA ALA 108 HA ALA 108 -4.445 -4.451 4.487 916 HB1 ALA 108 HB1 ALA 108 -2.449 -3.714 2.975 917 HB2 ALA 108 HB2 ALA 108 -2.137 -2.571 4.282 918 HB3 ALA 108 HB3 ALA 108 -3.687 -2.549 3.440 919 H LEU 109 H LEU 109 -1.526 -4.680 6.381 920 HA LEU 109 HA LEU 109 -0.215 -6.726 4.992 921 HB2 LEU 109 HB2 LEU 109 -0.063 -5.498 7.635 922 HB3 LEU 109 HB3 LEU 109 0.366 -7.199 7.655 923 HG LEU 109 HG LEU 109 1.621 -5.337 5.666 924 HD11 LEU 109 HD11 LEU 109 3.083 -5.911 8.164 925 HD12 LEU 109 HD12 LEU 109 1.780 -4.727 8.270 926 HD13 LEU 109 HD13 LEU 109 3.108 -4.481 7.135 927 HD21 LEU 109 HD21 LEU 109 2.240 -7.458 5.091 928 HD22 LEU 109 HD22 LEU 109 2.118 -8.062 6.743 929 HD23 LEU 109 HD23 LEU 109 3.507 -7.087 6.260 930 H ASN 110 H ASN 110 -2.833 -6.820 7.330 931 HA ASN 110 HA ASN 110 -2.777 -9.689 7.579 932 HB2 ASN 110 HB2 ASN 110 -3.896 -7.580 9.041 933 HB3 ASN 110 HB3 ASN 110 -5.276 -8.468 8.401 934 HD21 ASN 110 HD21 ASN 110 -4.856 -8.367 11.078 935 HD22 ASN 110 HD22 ASN 110 -4.358 -9.916 11.660 936 H GLU 111 H GLU 111 -4.400 -7.334 5.598 937 HA GLU 111 HA GLU 111 -6.588 -8.820 4.713 938 HB2 GLU 111 HB2 GLU 111 -6.146 -6.383 4.278 939 HB3 GLU 111 HB3 GLU 111 -4.995 -6.874 3.044 940 HG2 GLU 111 HG2 GLU 111 -6.602 -7.207 1.555 941 HG3 GLU 111 HG3 GLU 111 -7.547 -8.176 2.685 942 H ASN 112 H ASN 112 -3.235 -9.206 4.033 943 HA ASN 112 HA ASN 112 -3.226 -10.351 1.519 944 HB2 ASN 112 HB2 ASN 112 -1.354 -9.950 3.477 945 HB3 ASN 112 HB3 ASN 112 -1.473 -11.707 3.449 946 HD21 ASN 112 HD21 ASN 112 0.814 -10.282 2.722 947 HD22 ASN 112 HD22 ASN 112 1.107 -10.538 1.040 948 H SER 113 H SER 113 -3.922 -11.862 4.630 949 HA SER 113 HA SER 113 -5.701 -13.750 3.605 950 HB2 SER 113 HB2 SER 113 -2.851 -14.571 3.586 951 HB3 SER 113 HB3 SER 113 -3.994 -15.746 4.234 952 HG SER 113 HG SER 113 -3.609 -14.913 1.655 953 H ASN 114 H ASN 114 -5.693 -15.792 5.281 954 HA ASN 114 HA ASN 114 -5.784 -14.517 7.928 955 HB2 ASN 114 HB2 ASN 114 -7.809 -15.729 6.653 956 HB3 ASN 114 HB3 ASN 114 -7.118 -17.132 7.462 957 HD21 ASN 114 HD21 ASN 114 -8.073 -17.568 9.298 958 HD22 ASN 114 HD22 ASN 114 -8.726 -16.421 10.413 959 H ASP 115 H ASP 115 -5.716 -16.427 9.696 960 HA ASP 115 HA ASP 115 -3.144 -17.777 9.237 961 HB2 ASP 115 HB2 ASP 115 -2.989 -17.844 11.732 962 HB3 ASP 115 HB3 ASP 115 -3.030 -16.213 11.069 963 H ARG 116 H ARG 116 -5.481 -18.947 8.228 964 HA ARG 116 HA ARG 116 -6.568 -20.877 10.006 965 HB2 ARG 116 HB2 ARG 116 -6.856 -20.142 7.212 966 HB3 ARG 116 HB3 ARG 116 -6.868 -21.887 7.420 967 HG2 ARG 116 HG2 ARG 116 -8.550 -20.288 9.259 968 HG3 ARG 116 HG3 ARG 116 -9.068 -20.416 7.577 969 HD2 ARG 116 HD2 ARG 116 -9.323 -22.721 7.700 970 HD3 ARG 116 HD3 ARG 116 -8.271 -22.861 9.106 971 HE ARG 116 HE ARG 116 -10.073 -22.438 10.459 972 HH11 ARG 116 HH11 ARG 116 -10.900 -21.615 7.169 973 HH12 ARG 116 HH12 ARG 116 -12.578 -21.371 7.520 974 HH21 ARG 116 HH21 ARG 116 -12.280 -22.117 10.922 975 HH22 ARG 116 HH22 ARG 116 -13.361 -21.655 9.650 976 H SER 117 H SER 117 -6.352 -23.239 9.705 977 HA SER 117 HA SER 117 -3.917 -24.225 8.514 978 HB2 SER 117 HB2 SER 117 -4.089 -24.948 11.382 979 HB3 SER 117 HB3 SER 117 -2.672 -24.657 10.374 980 HG SER 117 HG SER 117 -3.728 -23.023 12.123 981 H GLU 118 H GLU 118 -4.008 -26.387 8.070 982 HA GLU 118 HA GLU 118 -5.972 -28.084 9.341 983 HB2 GLU 118 HB2 GLU 118 -7.148 -28.672 7.290 984 HB3 GLU 118 HB3 GLU 118 -7.307 -26.951 7.613 985 HG2 GLU 118 HG2 GLU 118 -5.046 -27.700 5.895 986 HG3 GLU 118 HG3 GLU 118 -6.647 -28.003 5.219 987 H HIS 119 H HIS 119 -3.084 -28.013 9.059 988 HA HIS 119 HA HIS 119 -2.501 -30.256 7.282 989 HB2 HIS 119 HB2 HIS 119 -0.961 -28.076 8.484 990 HB3 HIS 119 HB3 HIS 119 -0.141 -29.632 8.571 991 HD1 HIS 119 HD1 HIS 119 0.175 -30.876 6.198 992 HD2 HIS 119 HD2 HIS 119 -0.810 -26.841 6.058 993 HE1 HIS 119 HE1 HIS 119 0.750 -30.122 3.868 994 HE2 HIS 119 HE2 HIS 119 0.224 -27.659 3.834 995 H HIS 120 H HIS 120 -2.950 -32.196 8.100 996 HA HIS 120 HA HIS 120 -1.980 -32.806 10.810 997 HB2 HIS 120 HB2 HIS 120 -3.992 -34.373 10.979 998 HB3 HIS 120 HB3 HIS 120 -4.314 -32.650 11.133 999 HD1 HIS 120 HD1 HIS 120 -6.063 -31.720 9.627 1000 HD2 HIS 120 HD2 HIS 120 -4.642 -35.392 8.299 1001 HE1 HIS 120 HE1 HIS 120 -7.514 -32.333 7.667 1002 HE2 HIS 120 HE2 HIS 120 -6.576 -34.513 6.822 1003 H LYS 121 H LYS 121 -1.277 -34.942 11.153 1004 HA LYS 121 HA LYS 121 -1.128 -36.688 8.809 1005 HB2 LYS 121 HB2 LYS 121 1.230 -35.708 10.415 1006 HB3 LYS 121 HB3 LYS 121 1.301 -37.135 9.390 1007 HG2 LYS 121 HG2 LYS 121 1.502 -35.925 7.532 1008 HG3 LYS 121 HG3 LYS 121 0.230 -34.803 8.017 1009 HD2 LYS 121 HD2 LYS 121 2.054 -33.406 8.009 1010 HD3 LYS 121 HD3 LYS 121 2.057 -33.942 9.690 1011 HE2 LYS 121 HE2 LYS 121 3.986 -35.072 9.454 1012 HE3 LYS 121 HE3 LYS 121 3.549 -35.679 7.857 1013 HZ1 LYS 121 HZ1 LYS 121 4.567 -33.970 6.834 1014 HZ2 LYS 121 HZ2 LYS 121 5.454 -33.875 8.271 1015 HZ3 LYS 121 HZ3 LYS 121 4.141 -32.838 8.018 1016 H LYS 122 H LYS 122 -2.678 -36.788 11.253 1017 HA LYS 122 HA LYS 122 -1.549 -39.232 12.453 1018 HB2 LYS 122 HB2 LYS 122 -3.113 -36.984 13.688 1019 HB3 LYS 122 HB3 LYS 122 -3.088 -38.578 14.428 1020 HG2 LYS 122 HG2 LYS 122 -1.411 -37.401 15.531 1021 HG3 LYS 122 HG3 LYS 122 -0.542 -38.380 14.347 1022 HD2 LYS 122 HD2 LYS 122 -0.185 -36.529 12.930 1023 HD3 LYS 122 HD3 LYS 122 -1.372 -35.545 13.788 1024 HE2 LYS 122 HE2 LYS 122 0.863 -34.830 14.374 1025 HE3 LYS 122 HE3 LYS 122 0.082 -35.564 15.774 1026 HZ1 LYS 122 HZ1 LYS 122 2.378 -36.472 14.241 1027 HZ2 LYS 122 HZ2 LYS 122 1.302 -37.680 14.736 1028 HZ3 LYS 122 HZ3 LYS 122 2.025 -36.669 15.883 1029 HA PRO 123 HA PRO 123 -5.334 -40.661 10.313 1030 HB2 PRO 123 HB2 PRO 123 -4.567 -43.278 10.250 1031 HB3 PRO 123 HB3 PRO 123 -4.071 -42.090 9.041 1032 HG2 PRO 123 HG2 PRO 123 -2.570 -43.112 11.421 1033 HG3 PRO 123 HG3 PRO 123 -1.986 -42.811 9.773 1034 HD2 PRO 123 HD2 PRO 123 -1.540 -41.082 11.797 1035 HD3 PRO 123 HD3 PRO 123 -1.786 -40.537 10.124 1036 H ARG 124 H ARG 124 -7.071 -40.831 11.569 1037 HA ARG 124 HA ARG 124 -6.893 -42.215 14.133 1038 HB2 ARG 124 HB2 ARG 124 -8.716 -40.197 12.933 1039 HB3 ARG 124 HB3 ARG 124 -9.405 -41.293 14.122 1040 HG2 ARG 124 HG2 ARG 124 -8.436 -40.223 15.814 1041 HG3 ARG 124 HG3 ARG 124 -6.873 -40.180 14.996 1042 HD2 ARG 124 HD2 ARG 124 -7.195 -37.977 14.833 1043 HD3 ARG 124 HD3 ARG 124 -8.361 -38.363 13.568 1044 HE ARG 124 HE ARG 124 -8.931 -37.459 16.254 1045 HH11 ARG 124 HH11 ARG 124 -10.194 -38.992 13.381 1046 HH12 ARG 124 HH12 ARG 124 -11.840 -38.606 13.749 1047 HH21 ARG 124 HH21 ARG 124 -11.096 -36.952 16.737 1048 HH22 ARG 124 HH22 ARG 124 -12.353 -37.449 15.653 1049 H ILE 125 H ILE 125 -7.068 -44.370 13.848 1050 HA ILE 125 HA ILE 125 -9.543 -45.349 12.618 1051 HB ILE 125 HB ILE 125 -6.887 -46.698 12.168 1052 HG12 ILE 125 HG12 ILE 125 -8.454 -45.131 10.121 1053 HG13 ILE 125 HG13 ILE 125 -7.142 -44.420 11.054 1054 HG21 ILE 125 HG21 ILE 125 -9.504 -47.119 10.745 1055 HG22 ILE 125 HG22 ILE 125 -8.997 -48.064 12.146 1056 HG23 ILE 125 HG23 ILE 125 -8.050 -48.113 10.659 1057 HD11 ILE 125 HD11 ILE 125 -7.027 -46.014 8.688 1058 HD12 ILE 125 HD12 ILE 125 -6.136 -46.807 9.988 1059 HD13 ILE 125 HD13 ILE 125 -5.732 -45.155 9.523 1060 H ASP 126 H ASP 126 -6.706 -46.184 14.564 1061 HA ASP 126 HA ASP 126 -6.445 -47.493 16.406 1062 HB2 ASP 126 HB2 ASP 126 -8.610 -45.991 16.938 1063 HB3 ASP 126 HB3 ASP 126 -9.352 -47.586 16.998 1064 H ASP 127 H ASP 127 -6.954 -48.725 13.835 1065 HA ASP 127 HA ASP 127 -8.642 -51.010 14.274 1066 HB2 ASP 127 HB2 ASP 127 -7.759 -51.775 12.084 1067 HB3 ASP 127 HB3 ASP 127 -8.402 -50.138 12.023 1068 H SER 128 H SER 128 -8.101 -52.950 15.060 1069 HA SER 128 HA SER 128 -5.282 -53.397 15.760 1070 HB2 SER 128 HB2 SER 128 -6.935 -53.372 17.627 1071 HB3 SER 128 HB3 SER 128 -7.734 -54.762 16.893 1072 HG SER 128 HG SER 128 -6.316 -55.539 18.409 1073 H SER 129 H SER 129 -4.926 -55.944 16.016 1074 HA SER 129 HA SER 129 -5.295 -56.996 13.333 1075 HB2 SER 129 HB2 SER 129 -3.821 -58.894 14.395 1076 HB3 SER 129 HB3 SER 129 -3.095 -57.337 13.991 1077 HG SER 129 HG SER 129 -3.144 -58.518 16.337 1078 H ASP 130 H ASP 130 -6.138 -57.813 16.662 1079 HA ASP 130 HA ASP 130 -7.697 -59.213 17.546 1080 HB2 ASP 130 HB2 ASP 130 -8.775 -58.632 14.834 1081 HB3 ASP 130 HB3 ASP 130 -9.495 -59.974 15.718 1082 H LEU 131 H LEU 131 -8.052 -61.405 17.866 1083 HA LEU 131 HA LEU 131 -7.571 -63.626 17.778 1084 HB2 LEU 131 HB2 LEU 131 -7.869 -62.872 14.913 1085 HB3 LEU 131 HB3 LEU 131 -7.217 -64.457 15.283 1086 HG LEU 131 HG LEU 131 -9.602 -63.957 16.838 1087 HD11 LEU 131 HD11 LEU 131 -10.148 -64.072 13.901 1088 HD12 LEU 131 HD12 LEU 131 -9.952 -62.520 14.714 1089 HD13 LEU 131 HD13 LEU 131 -11.226 -63.629 15.224 1090 HD21 LEU 131 HD21 LEU 131 -9.037 -65.982 14.678 1091 HD22 LEU 131 HD22 LEU 131 -10.257 -66.091 15.948 1092 HD23 LEU 131 HD23 LEU 131 -8.544 -66.149 16.363 1093 H LEU 132 H LEU 132 -5.397 -61.664 18.002 1094 HA LEU 132 HA LEU 132 -3.208 -63.491 17.637 1095 HB2 LEU 132 HB2 LEU 132 -3.742 -61.654 15.573 1096 HB3 LEU 132 HB3 LEU 132 -2.363 -61.007 16.440 1097 HG LEU 132 HG LEU 132 -1.613 -63.609 16.164 1098 HD11 LEU 132 HD11 LEU 132 -2.436 -64.632 14.344 1099 HD12 LEU 132 HD12 LEU 132 -2.553 -63.132 13.425 1100 HD13 LEU 132 HD13 LEU 132 -3.814 -63.557 14.584 1101 HD21 LEU 132 HD21 LEU 132 -0.254 -61.639 15.682 1102 HD22 LEU 132 HD22 LEU 132 -1.157 -61.376 14.190 1103 HD23 LEU 132 HD23 LEU 132 -0.157 -62.817 14.374 1104 H LYS 133 H LYS 133 -1.401 -62.955 18.877 1105 HA LYS 133 HA LYS 133 -1.723 -60.595 20.611 1106 HB2 LYS 133 HB2 LYS 133 -1.881 -63.216 21.431 1107 HB3 LYS 133 HB3 LYS 133 -0.201 -62.821 21.761 1108 HG2 LYS 133 HG2 LYS 133 -0.858 -60.967 23.147 1109 HG3 LYS 133 HG3 LYS 133 -2.554 -61.213 22.729 1110 HD2 LYS 133 HD2 LYS 133 -2.220 -63.582 23.689 1111 HD3 LYS 133 HD3 LYS 133 -0.764 -62.915 24.431 1112 HE2 LYS 133 HE2 LYS 133 -2.594 -61.022 25.081 1113 HE3 LYS 133 HE3 LYS 133 -3.598 -62.471 25.080 1114 HZ1 LYS 133 HZ1 LYS 133 -1.200 -61.914 26.722 1115 HZ2 LYS 133 HZ2 LYS 133 -1.818 -63.477 26.538 1116 HZ3 LYS 133 HZ3 LYS 133 -2.769 -62.271 27.246 1117 H THR 134 H THR 134 0.588 -62.890 19.212 1118 HA THR 134 HA THR 134 2.705 -60.874 19.537 1119 HB THR 134 HB THR 134 3.127 -63.776 18.844 1120 HG1 THR 134 HG1 THR 134 2.210 -63.979 20.781 1121 HG21 THR 134 HG21 THR 134 4.966 -61.940 20.336 1122 HG22 THR 134 HG22 THR 134 4.999 -62.098 18.581 1123 HG23 THR 134 HG23 THR 134 5.326 -63.501 19.599 1124 H ASP 135 H ASP 135 2.524 -59.607 17.753 1125 HA ASP 135 HA ASP 135 2.749 -60.960 15.143 1126 HB2 ASP 135 HB2 ASP 135 1.659 -58.857 14.217 1127 HB3 ASP 135 HB3 ASP 135 0.616 -59.917 15.162 1128 H GLU 136 H GLU 136 4.265 -60.220 13.710 1129 HA GLU 136 HA GLU 136 5.861 -57.882 14.457 1130 HB2 GLU 136 HB2 GLU 136 6.832 -60.695 14.178 1131 HB3 GLU 136 HB3 GLU 136 7.885 -59.382 13.668 1132 HG2 GLU 136 HG2 GLU 136 6.654 -59.092 16.329 1133 HG3 GLU 136 HG3 GLU 136 7.840 -60.384 16.154 1134 H ILE 137 H ILE 137 4.648 -56.961 12.674 1135 HA ILE 137 HA ILE 137 6.094 -57.143 10.214 1136 HB ILE 137 HB ILE 137 4.614 -59.073 9.918 1137 HG12 ILE 137 HG12 ILE 137 3.466 -56.972 8.121 1138 HG13 ILE 137 HG13 ILE 137 5.197 -57.288 8.066 1139 HG21 ILE 137 HG21 ILE 137 2.645 -58.934 10.976 1140 HG22 ILE 137 HG22 ILE 137 2.093 -58.134 9.505 1141 HG23 ILE 137 HG23 ILE 137 2.608 -57.173 10.890 1142 HD11 ILE 137 HD11 ILE 137 3.166 -58.659 6.731 1143 HD12 ILE 137 HD12 ILE 137 3.748 -59.757 7.982 1144 HD13 ILE 137 HD13 ILE 137 4.877 -59.076 6.810 Start of MODEL 13 1 H1 GLY -2 H1 GLY -2 -13.499 12.732 -19.630 2 H2 GLY -2 H2 GLY -2 -12.439 13.579 -18.620 3 H3 GLY -2 H3 GLY -2 -14.034 13.303 -18.130 4 HA2 GLY -2 HA2 GLY -2 -12.293 11.836 -17.082 5 HA3 GLY -2 HA3 GLY -2 -13.689 11.033 -17.785 6 H HIS -1 H HIS -1 -10.593 10.555 -17.393 7 HA HIS -1 HA HIS -1 -10.338 8.716 -19.518 8 HB2 HIS -1 HB2 HIS -1 -9.955 10.971 -20.677 9 HB3 HIS -1 HB3 HIS -1 -8.444 11.047 -19.775 10 HD1 HIS -1 HD1 HIS -1 -10.168 8.560 -22.092 11 HD2 HIS -1 HD2 HIS -1 -6.383 9.993 -21.157 12 HE1 HIS -1 HE1 HIS -1 -8.601 7.407 -23.685 13 HE2 HIS -1 HE2 HIS -1 -6.306 8.228 -23.046 14 H MET 0 H MET 0 -8.613 10.766 -17.209 15 HA MET 0 HA MET 0 -7.097 8.393 -16.363 16 HB2 MET 0 HB2 MET 0 -5.843 10.238 -17.770 17 HB3 MET 0 HB3 MET 0 -5.814 11.089 -16.232 18 HG2 MET 0 HG2 MET 0 -4.394 9.584 -15.263 19 HG3 MET 0 HG3 MET 0 -4.908 8.259 -16.306 20 HE1 MET 0 HE1 MET 0 -1.230 8.306 -17.338 21 HE2 MET 0 HE2 MET 0 -2.545 7.474 -16.509 22 HE3 MET 0 HE3 MET 0 -1.693 8.794 -15.707 23 H MET 1 H MET 1 -7.192 8.003 -14.244 24 HA MET 1 HA MET 1 -7.377 10.081 -12.287 25 HB2 MET 1 HB2 MET 1 -9.563 9.216 -11.336 26 HB3 MET 1 HB3 MET 1 -9.684 10.157 -12.817 27 HG2 MET 1 HG2 MET 1 -9.409 7.272 -13.231 28 HG3 MET 1 HG3 MET 1 -10.877 7.759 -12.387 29 HE1 MET 1 HE1 MET 1 -9.059 7.686 -15.943 30 HE2 MET 1 HE2 MET 1 -10.634 7.343 -16.659 31 HE3 MET 1 HE3 MET 1 -10.072 6.408 -15.272 32 H SER 2 H SER 2 -7.076 9.324 -10.157 33 HA SER 2 HA SER 2 -6.611 6.446 -9.848 34 HB2 SER 2 HB2 SER 2 -4.634 8.344 -8.642 35 HB3 SER 2 HB3 SER 2 -4.425 6.656 -9.107 36 HG SER 2 HG SER 2 -3.371 7.842 -10.631 37 H LYS 3 H LYS 3 -8.187 6.023 -8.407 38 HA LYS 3 HA LYS 3 -7.917 7.128 -5.748 39 HB2 LYS 3 HB2 LYS 3 -10.196 7.792 -7.546 40 HB3 LYS 3 HB3 LYS 3 -10.561 7.467 -5.857 41 HG2 LYS 3 HG2 LYS 3 -9.030 9.223 -5.165 42 HG3 LYS 3 HG3 LYS 3 -8.610 9.534 -6.851 43 HD2 LYS 3 HD2 LYS 3 -10.503 10.691 -7.240 44 HD3 LYS 3 HD3 LYS 3 -11.488 9.595 -6.267 45 HE2 LYS 3 HE2 LYS 3 -9.560 11.365 -4.859 46 HE3 LYS 3 HE3 LYS 3 -11.020 12.096 -5.526 47 HZ1 LYS 3 HZ1 LYS 3 -10.937 11.055 -3.112 48 HZ2 LYS 3 HZ2 LYS 3 -11.350 9.654 -3.965 49 HZ3 LYS 3 HZ3 LYS 3 -12.341 11.022 -4.055 50 H LEU 4 H LEU 4 -7.584 4.535 -6.963 51 HA LEU 4 HA LEU 4 -9.860 2.988 -6.000 52 HB2 LEU 4 HB2 LEU 4 -8.778 2.483 -8.193 53 HB3 LEU 4 HB3 LEU 4 -7.329 2.017 -7.324 54 HG LEU 4 HG LEU 4 -9.787 0.639 -6.462 55 HD11 LEU 4 HD11 LEU 4 -10.259 0.699 -8.819 56 HD12 LEU 4 HD12 LEU 4 -9.714 -0.920 -8.382 57 HD13 LEU 4 HD13 LEU 4 -8.613 0.190 -9.201 58 HD21 LEU 4 HD21 LEU 4 -7.976 -0.309 -5.477 59 HD22 LEU 4 HD22 LEU 4 -6.896 0.097 -6.811 60 HD23 LEU 4 HD23 LEU 4 -7.998 -1.274 -6.952 61 H PHE 5 H PHE 5 -6.503 3.639 -5.239 62 HA PHE 5 HA PHE 5 -6.059 1.599 -3.377 63 HB2 PHE 5 HB2 PHE 5 -4.369 3.263 -2.401 64 HB3 PHE 5 HB3 PHE 5 -4.153 2.783 -4.079 65 HD1 PHE 5 HD1 PHE 5 -5.884 5.421 -2.085 66 HD2 PHE 5 HD2 PHE 5 -3.720 4.431 -5.613 67 HE1 PHE 5 HE1 PHE 5 -5.906 7.787 -2.757 68 HE2 PHE 5 HE2 PHE 5 -3.737 6.796 -6.292 69 HZ PHE 5 HZ PHE 5 -4.831 8.477 -4.863 70 H LEU 6 H LEU 6 -7.901 4.518 -3.149 71 HA LEU 6 HA LEU 6 -7.993 4.484 -0.254 72 HB2 LEU 6 HB2 LEU 6 -9.041 6.249 -2.407 73 HB3 LEU 6 HB3 LEU 6 -9.876 6.265 -0.865 74 HG LEU 6 HG LEU 6 -6.962 6.912 -1.320 75 HD11 LEU 6 HD11 LEU 6 -9.327 8.625 -0.580 76 HD12 LEU 6 HD12 LEU 6 -8.405 8.683 -2.082 77 HD13 LEU 6 HD13 LEU 6 -7.648 9.162 -0.563 78 HD21 LEU 6 HD21 LEU 6 -6.778 6.167 0.798 79 HD22 LEU 6 HD22 LEU 6 -8.511 6.294 1.107 80 HD23 LEU 6 HD23 LEU 6 -7.492 7.731 1.191 81 H ASP 7 H ASP 7 -9.842 3.266 -2.918 82 HA ASP 7 HA ASP 7 -12.309 2.940 -1.533 83 HB2 ASP 7 HB2 ASP 7 -11.168 2.023 -4.124 84 HB3 ASP 7 HB3 ASP 7 -12.535 1.121 -3.478 85 H GLU 8 H GLU 8 -9.423 0.991 -1.902 86 HA GLU 8 HA GLU 8 -10.423 -1.484 -1.073 87 HB2 GLU 8 HB2 GLU 8 -7.688 -0.239 -0.821 88 HB3 GLU 8 HB3 GLU 8 -8.025 -1.887 -0.307 89 HG2 GLU 8 HG2 GLU 8 -9.015 -1.467 -2.964 90 HG3 GLU 8 HG3 GLU 8 -7.320 -0.991 -2.864 91 H LEU 9 H LEU 9 -9.152 1.232 0.804 92 HA LEU 9 HA LEU 9 -9.549 -0.136 3.313 93 HB2 LEU 9 HB2 LEU 9 -8.839 1.999 4.325 94 HB3 LEU 9 HB3 LEU 9 -7.698 1.395 3.141 95 HG LEU 9 HG LEU 9 -8.833 3.003 1.491 96 HD11 LEU 9 HD11 LEU 9 -9.640 5.052 2.973 97 HD12 LEU 9 HD12 LEU 9 -10.126 3.744 4.052 98 HD13 LEU 9 HD13 LEU 9 -10.752 3.806 2.404 99 HD21 LEU 9 HD21 LEU 9 -7.356 4.757 2.090 100 HD22 LEU 9 HD22 LEU 9 -6.578 3.253 2.584 101 HD23 LEU 9 HD23 LEU 9 -7.364 4.277 3.786 102 HA PRO 10 HA PRO 10 -13.678 0.878 4.410 103 HB2 PRO 10 HB2 PRO 10 -13.204 2.335 6.779 104 HB3 PRO 10 HB3 PRO 10 -13.508 0.602 6.648 105 HG2 PRO 10 HG2 PRO 10 -10.927 2.061 6.894 106 HG3 PRO 10 HG3 PRO 10 -11.386 0.467 7.525 107 HD2 PRO 10 HD2 PRO 10 -9.781 0.703 5.400 108 HD3 PRO 10 HD3 PRO 10 -11.002 -0.585 5.487 109 H GLU 11 H GLU 11 -15.085 2.441 3.867 110 HA GLU 11 HA GLU 11 -14.210 4.848 2.719 111 HB2 GLU 11 HB2 GLU 11 -17.007 4.391 3.735 112 HB3 GLU 11 HB3 GLU 11 -16.491 5.354 2.357 113 HG2 GLU 11 HG2 GLU 11 -15.610 2.716 1.896 114 HG3 GLU 11 HG3 GLU 11 -17.281 2.619 2.448 115 H SER 12 H SER 12 -15.203 4.046 5.963 116 HA SER 12 HA SER 12 -15.832 6.557 6.970 117 HB2 SER 12 HB2 SER 12 -14.678 5.442 9.131 118 HB3 SER 12 HB3 SER 12 -16.275 4.972 8.551 119 HG SER 12 HG SER 12 -13.840 3.617 8.381 120 H LEU 13 H LEU 13 -12.661 4.944 6.861 121 HA LEU 13 HA LEU 13 -11.303 7.274 7.873 122 HB2 LEU 13 HB2 LEU 13 -10.564 4.516 7.098 123 HB3 LEU 13 HB3 LEU 13 -9.304 5.724 6.933 124 HG LEU 13 HG LEU 13 -10.828 5.237 9.489 125 HD11 LEU 13 HD11 LEU 13 -7.998 4.423 9.205 126 HD12 LEU 13 HD12 LEU 13 -9.210 3.397 8.437 127 HD13 LEU 13 HD13 LEU 13 -9.294 3.716 10.170 128 HD21 LEU 13 HD21 LEU 13 -8.148 6.473 9.436 129 HD22 LEU 13 HD22 LEU 13 -9.545 6.828 10.453 130 HD23 LEU 13 HD23 LEU 13 -9.475 7.447 8.802 131 H SER 14 H SER 14 -11.880 5.789 4.746 132 HA SER 14 HA SER 14 -10.010 7.103 3.182 133 HB2 SER 14 HB2 SER 14 -11.998 5.346 2.662 134 HB3 SER 14 HB3 SER 14 -12.709 6.817 1.998 135 HG SER 14 HG SER 14 -11.035 6.996 0.590 136 H ARG 15 H ARG 15 -12.955 8.306 4.598 137 HA ARG 15 HA ARG 15 -13.251 10.620 2.998 138 HB2 ARG 15 HB2 ARG 15 -14.691 9.405 5.023 139 HB3 ARG 15 HB3 ARG 15 -14.161 10.910 5.760 140 HG2 ARG 15 HG2 ARG 15 -15.989 11.777 4.820 141 HG3 ARG 15 HG3 ARG 15 -15.036 11.776 3.336 142 HD2 ARG 15 HD2 ARG 15 -16.475 10.367 2.402 143 HD3 ARG 15 HD3 ARG 15 -16.152 9.185 3.668 144 HE ARG 15 HE ARG 15 -18.437 10.929 3.454 145 HH11 ARG 15 HH11 ARG 15 -16.504 8.966 5.600 146 HH12 ARG 15 HH12 ARG 15 -17.778 8.754 6.752 147 HH21 ARG 15 HH21 ARG 15 -20.111 10.647 4.970 148 HH22 ARG 15 HH22 ARG 15 -19.824 9.706 6.397 149 H LYS 16 H LYS 16 -11.466 9.947 5.958 150 HA LYS 16 HA LYS 16 -10.676 12.692 6.333 151 HB2 LYS 16 HB2 LYS 16 -9.369 10.319 7.640 152 HB3 LYS 16 HB3 LYS 16 -9.534 11.957 8.257 153 HG2 LYS 16 HG2 LYS 16 -12.142 10.968 7.831 154 HG3 LYS 16 HG3 LYS 16 -11.231 9.707 8.663 155 HD2 LYS 16 HD2 LYS 16 -12.241 11.101 10.325 156 HD3 LYS 16 HD3 LYS 16 -10.509 11.433 10.321 157 HE2 LYS 16 HE2 LYS 16 -11.837 13.163 8.458 158 HE3 LYS 16 HE3 LYS 16 -12.621 13.266 10.034 159 HZ1 LYS 16 HZ1 LYS 16 -9.771 13.768 9.395 160 HZ2 LYS 16 HZ2 LYS 16 -10.340 13.593 10.979 161 HZ3 LYS 16 HZ3 LYS 16 -10.903 14.862 10.013 162 H ILE 17 H ILE 17 -9.296 9.794 4.912 163 HA ILE 17 HA ILE 17 -6.656 10.820 4.625 164 HB ILE 17 HB ILE 17 -7.967 8.634 3.005 165 HG12 ILE 17 HG12 ILE 17 -6.271 8.273 5.472 166 HG13 ILE 17 HG13 ILE 17 -8.027 8.383 5.551 167 HG21 ILE 17 HG21 ILE 17 -5.625 7.825 2.773 168 HG22 ILE 17 HG22 ILE 17 -5.080 9.315 3.541 169 HG23 ILE 17 HG23 ILE 17 -5.923 9.378 1.992 170 HD11 ILE 17 HD11 ILE 17 -8.321 6.370 4.428 171 HD12 ILE 17 HD12 ILE 17 -6.951 6.065 5.496 172 HD13 ILE 17 HD13 ILE 17 -6.679 6.382 3.783 173 H GLY 18 H GLY 18 -9.374 10.454 2.348 174 HA2 GLY 18 HA2 GLY 18 -8.105 11.589 0.118 175 HA3 GLY 18 HA3 GLY 18 -9.842 11.518 0.370 176 H THR 19 H THR 19 -9.311 13.074 2.971 177 HA THR 19 HA THR 19 -9.734 15.667 1.796 178 HB THR 19 HB THR 19 -9.510 16.073 4.518 179 HG1 THR 19 HG1 THR 19 -9.593 14.185 5.402 180 HG21 THR 19 HG21 THR 19 -11.888 16.116 4.601 181 HG22 THR 19 HG22 THR 19 -12.010 15.115 3.154 182 HG23 THR 19 HG23 THR 19 -11.384 16.758 3.039 183 H VAL 20 H VAL 20 -7.191 14.079 3.663 184 HA VAL 20 HA VAL 20 -5.580 16.461 3.830 185 HB VAL 20 HB VAL 20 -4.650 13.640 4.345 186 HG11 VAL 20 HG11 VAL 20 -3.771 16.207 5.646 187 HG12 VAL 20 HG12 VAL 20 -3.002 15.548 4.201 188 HG13 VAL 20 HG13 VAL 20 -2.986 14.630 5.709 189 HG21 VAL 20 HG21 VAL 20 -6.563 15.286 5.839 190 HG22 VAL 20 HG22 VAL 20 -5.234 14.649 6.808 191 HG23 VAL 20 HG23 VAL 20 -6.269 13.548 5.900 192 H VAL 21 H VAL 21 -5.857 13.724 1.691 193 HA VAL 21 HA VAL 21 -3.371 13.722 0.461 194 HB VAL 21 HB VAL 21 -6.048 13.221 -0.853 195 HG11 VAL 21 HG11 VAL 21 -4.710 11.791 -2.395 196 HG12 VAL 21 HG12 VAL 21 -3.248 12.469 -1.677 197 HG13 VAL 21 HG13 VAL 21 -4.374 13.516 -2.540 198 HG21 VAL 21 HG21 VAL 21 -4.495 10.879 -0.196 199 HG22 VAL 21 HG22 VAL 21 -6.157 11.282 0.234 200 HG23 VAL 21 HG23 VAL 21 -4.826 11.843 1.243 201 H ARG 22 H ARG 22 -6.047 15.940 0.087 202 HA ARG 22 HA ARG 22 -5.359 17.141 -2.337 203 HB2 ARG 22 HB2 ARG 22 -7.004 17.841 -0.003 204 HB3 ARG 22 HB3 ARG 22 -6.381 19.228 -0.886 205 HG2 ARG 22 HG2 ARG 22 -7.379 18.401 -2.937 206 HG3 ARG 22 HG3 ARG 22 -7.960 16.965 -2.092 207 HD2 ARG 22 HD2 ARG 22 -9.766 18.544 -2.300 208 HD3 ARG 22 HD3 ARG 22 -9.290 18.430 -0.605 209 HE ARG 22 HE ARG 22 -7.849 20.533 -1.581 210 HH11 ARG 22 HH11 ARG 22 -11.243 19.727 -1.452 211 HH12 ARG 22 HH12 ARG 22 -11.760 21.377 -1.374 212 HH21 ARG 22 HH21 ARG 22 -8.530 22.705 -1.479 213 HH22 ARG 22 HH22 ARG 22 -10.220 23.068 -1.390 214 H VAL 23 H VAL 23 -3.975 17.455 0.836 215 HA VAL 23 HA VAL 23 -2.497 19.852 0.238 216 HB VAL 23 HB VAL 23 -2.080 17.918 2.521 217 HG11 VAL 23 HG11 VAL 23 -0.195 19.306 2.402 218 HG12 VAL 23 HG12 VAL 23 -1.228 20.064 3.612 219 HG13 VAL 23 HG13 VAL 23 -1.155 20.722 1.977 220 HG21 VAL 23 HG21 VAL 23 -3.405 19.778 3.752 221 HG22 VAL 23 HG22 VAL 23 -4.283 18.565 2.821 222 HG23 VAL 23 HG23 VAL 23 -4.013 20.170 2.143 223 H LEU 24 H LEU 24 -1.822 16.386 0.387 224 HA LEU 24 HA LEU 24 0.711 16.891 -1.011 225 HB2 LEU 24 HB2 LEU 24 0.262 15.553 1.552 226 HB3 LEU 24 HB3 LEU 24 1.206 14.602 0.422 227 HG LEU 24 HG LEU 24 2.715 16.599 0.155 228 HD11 LEU 24 HD11 LEU 24 0.825 17.639 2.182 229 HD12 LEU 24 HD12 LEU 24 1.672 18.478 0.884 230 HD13 LEU 24 HD13 LEU 24 2.531 18.048 2.363 231 HD21 LEU 24 HD21 LEU 24 2.653 14.601 2.098 232 HD22 LEU 24 HD22 LEU 24 3.041 16.081 2.974 233 HD23 LEU 24 HD23 LEU 24 4.043 15.573 1.616 234 HA PRO 25 HA PRO 25 -2.007 13.809 -3.260 235 HB2 PRO 25 HB2 PRO 25 -1.152 15.397 -5.590 236 HB3 PRO 25 HB3 PRO 25 -2.776 14.914 -5.099 237 HG2 PRO 25 HG2 PRO 25 -1.942 17.458 -4.899 238 HG3 PRO 25 HG3 PRO 25 -3.046 16.739 -3.713 239 HD2 PRO 25 HD2 PRO 25 -0.098 17.229 -3.507 240 HD3 PRO 25 HD3 PRO 25 -1.367 17.456 -2.284 241 H SER 26 H SER 26 1.179 15.167 -3.797 242 HA SER 26 HA SER 26 2.037 12.969 -5.469 243 HB2 SER 26 HB2 SER 26 3.616 15.250 -4.255 244 HB3 SER 26 HB3 SER 26 4.224 14.108 -5.454 245 HG SER 26 HG SER 26 1.975 15.792 -5.858 246 H SER 27 H SER 27 2.451 14.048 -2.136 247 HA SER 27 HA SER 27 4.455 12.265 -1.351 248 HB2 SER 27 HB2 SER 27 3.264 14.255 -0.081 249 HB3 SER 27 HB3 SER 27 2.263 12.952 0.561 250 HG SER 27 HG SER 27 3.853 12.788 1.935 251 H LEU 28 H LEU 28 0.937 11.896 -1.395 252 HA LEU 28 HA LEU 28 0.581 9.517 -0.104 253 HB2 LEU 28 HB2 LEU 28 -1.037 11.109 -1.508 254 HB3 LEU 28 HB3 LEU 28 -0.842 9.831 -2.693 255 HG LEU 28 HG LEU 28 -2.037 9.630 0.061 256 HD11 LEU 28 HD11 LEU 28 -3.329 10.362 -2.053 257 HD12 LEU 28 HD12 LEU 28 -4.027 9.125 -1.010 258 HD13 LEU 28 HD13 LEU 28 -3.221 8.663 -2.509 259 HD21 LEU 28 HD21 LEU 28 -2.314 7.191 -0.489 260 HD22 LEU 28 HD22 LEU 28 -0.669 7.696 -0.103 261 HD23 LEU 28 HD23 LEU 28 -1.138 7.426 -1.781 262 H GLU 29 H GLU 29 1.625 9.960 -3.463 263 HA GLU 29 HA GLU 29 1.608 7.330 -4.321 264 HB2 GLU 29 HB2 GLU 29 3.146 9.761 -5.054 265 HB3 GLU 29 HB3 GLU 29 3.776 8.223 -5.626 266 HG2 GLU 29 HG2 GLU 29 2.306 9.343 -7.253 267 HG3 GLU 29 HG3 GLU 29 1.731 7.745 -6.779 268 H ILE 30 H ILE 30 3.844 8.942 -2.185 269 HA ILE 30 HA ILE 30 5.912 6.988 -2.314 270 HB ILE 30 HB ILE 30 5.346 8.878 -0.029 271 HG12 ILE 30 HG12 ILE 30 6.997 9.340 -2.525 272 HG13 ILE 30 HG13 ILE 30 5.456 10.108 -2.159 273 HG21 ILE 30 HG21 ILE 30 7.889 8.724 0.141 274 HG22 ILE 30 HG22 ILE 30 7.751 7.312 -0.907 275 HG23 ILE 30 HG23 ILE 30 6.954 7.325 0.666 276 HD11 ILE 30 HD11 ILE 30 8.103 10.866 -1.372 277 HD12 ILE 30 HD12 ILE 30 7.091 10.613 0.049 278 HD13 ILE 30 HD13 ILE 30 6.585 11.749 -1.202 279 H PHE 31 H PHE 31 3.215 7.569 -0.081 280 HA PHE 31 HA PHE 31 3.844 5.362 1.614 281 HB2 PHE 31 HB2 PHE 31 1.184 6.771 1.327 282 HB3 PHE 31 HB3 PHE 31 1.738 5.820 2.702 283 HD1 PHE 31 HD1 PHE 31 4.346 6.757 3.306 284 HD2 PHE 31 HD2 PHE 31 0.990 8.975 1.918 285 HE1 PHE 31 HE1 PHE 31 5.266 8.791 4.342 286 HE2 PHE 31 HE2 PHE 31 1.904 11.013 2.951 287 HZ PHE 31 HZ PHE 31 4.045 10.922 4.166 288 H GLU 32 H GLU 32 1.773 5.835 -1.182 289 HA GLU 32 HA GLU 32 0.294 3.457 -1.021 290 HB2 GLU 32 HB2 GLU 32 0.419 5.612 -2.756 291 HB3 GLU 32 HB3 GLU 32 0.951 4.266 -3.753 292 HG2 GLU 32 HG2 GLU 32 -1.447 4.629 -3.936 293 HG3 GLU 32 HG3 GLU 32 -1.084 3.051 -3.239 294 H GLU 33 H GLU 33 3.434 4.167 -2.473 295 HA GLU 33 HA GLU 33 3.753 1.492 -3.494 296 HB2 GLU 33 HB2 GLU 33 4.756 3.542 -4.553 297 HB3 GLU 33 HB3 GLU 33 5.863 3.634 -3.189 298 HG2 GLU 33 HG2 GLU 33 5.914 0.996 -4.297 299 HG3 GLU 33 HG3 GLU 33 6.168 2.186 -5.571 300 H LEU 34 H LEU 34 4.468 3.191 -0.572 301 HA LEU 34 HA LEU 34 6.553 1.542 0.396 302 HB2 LEU 34 HB2 LEU 34 5.582 3.872 1.203 303 HB3 LEU 34 HB3 LEU 34 4.642 2.848 2.273 304 HG LEU 34 HG LEU 34 7.653 3.012 2.132 305 HD11 LEU 34 HD11 LEU 34 7.537 3.998 4.290 306 HD12 LEU 34 HD12 LEU 34 5.804 3.692 4.406 307 HD13 LEU 34 HD13 LEU 34 6.413 4.881 3.254 308 HD21 LEU 34 HD21 LEU 34 7.421 0.822 2.720 309 HD22 LEU 34 HD22 LEU 34 5.815 1.060 3.410 310 HD23 LEU 34 HD23 LEU 34 7.246 1.565 4.310 311 H TYR 35 H TYR 35 3.040 1.530 1.005 312 HA TYR 35 HA TYR 35 3.062 -0.694 2.730 313 HB2 TYR 35 HB2 TYR 35 0.751 -0.563 2.718 314 HB3 TYR 35 HB3 TYR 35 1.190 1.070 2.235 315 HD1 TYR 35 HD1 TYR 35 0.162 -2.231 0.844 316 HD2 TYR 35 HD2 TYR 35 0.334 1.980 0.270 317 HE1 TYR 35 HE1 TYR 35 -1.235 -2.455 -1.166 318 HE2 TYR 35 HE2 TYR 35 -1.063 1.768 -1.743 319 HH TYR 35 HH TYR 35 -1.711 0.137 -3.373 320 H LYS 36 H LYS 36 2.767 -0.425 -0.768 321 HA LYS 36 HA LYS 36 2.097 -3.122 -1.273 322 HB2 LYS 36 HB2 LYS 36 2.260 -0.879 -2.798 323 HB3 LYS 36 HB3 LYS 36 3.711 -1.727 -3.314 324 HG2 LYS 36 HG2 LYS 36 2.547 -3.413 -4.303 325 HG3 LYS 36 HG3 LYS 36 1.179 -3.266 -3.198 326 HD2 LYS 36 HD2 LYS 36 0.158 -2.287 -4.946 327 HD3 LYS 36 HD3 LYS 36 1.093 -0.866 -4.474 328 HE2 LYS 36 HE2 LYS 36 2.892 -2.187 -6.017 329 HE3 LYS 36 HE3 LYS 36 1.381 -2.639 -6.804 330 HZ1 LYS 36 HZ1 LYS 36 1.700 -0.701 -7.868 331 HZ2 LYS 36 HZ2 LYS 36 2.696 -0.055 -6.661 332 HZ3 LYS 36 HZ3 LYS 36 1.014 -0.023 -6.479 333 H TYR 37 H TYR 37 5.132 -1.471 -0.750 334 HA TYR 37 HA TYR 37 6.816 -3.562 -1.691 335 HB2 TYR 37 HB2 TYR 37 7.742 -1.366 -1.584 336 HB3 TYR 37 HB3 TYR 37 7.299 -1.186 0.109 337 HD1 TYR 37 HD1 TYR 37 8.592 -2.319 1.859 338 HD2 TYR 37 HD2 TYR 37 9.740 -2.550 -2.231 339 HE1 TYR 37 HE1 TYR 37 10.817 -3.122 2.534 340 HE2 TYR 37 HE2 TYR 37 11.967 -3.354 -1.568 341 HH TYR 37 HH TYR 37 13.447 -3.173 0.510 342 H ALA 38 H ALA 38 5.816 -2.543 1.570 343 HA ALA 38 HA ALA 38 7.190 -4.475 3.026 344 HB1 ALA 38 HB1 ALA 38 4.792 -2.797 3.525 345 HB2 ALA 38 HB2 ALA 38 6.324 -2.873 4.395 346 HB3 ALA 38 HB3 ALA 38 5.114 -4.134 4.628 347 H LEU 39 H LEU 39 4.236 -4.722 1.190 348 HA LEU 39 HA LEU 39 3.157 -7.044 2.314 349 HB2 LEU 39 HB2 LEU 39 3.011 -5.845 -0.437 350 HB3 LEU 39 HB3 LEU 39 2.214 -7.364 -0.067 351 HG LEU 39 HG LEU 39 1.658 -4.686 1.208 352 HD11 LEU 39 HD11 LEU 39 0.784 -5.571 -1.180 353 HD12 LEU 39 HD12 LEU 39 -0.150 -4.513 -0.122 354 HD13 LEU 39 HD13 LEU 39 -0.452 -6.252 -0.121 355 HD21 LEU 39 HD21 LEU 39 1.404 -6.301 2.925 356 HD22 LEU 39 HD22 LEU 39 0.605 -7.434 1.834 357 HD23 LEU 39 HD23 LEU 39 -0.215 -5.951 2.319 358 H ASN 40 H ASN 40 5.727 -6.583 -0.025 359 HA ASN 40 HA ASN 40 5.918 -9.298 -0.843 360 HB2 ASN 40 HB2 ASN 40 7.620 -6.862 -1.118 361 HB3 ASN 40 HB3 ASN 40 8.358 -8.431 -1.423 362 HD21 ASN 40 HD21 ASN 40 7.215 -9.836 -2.974 363 HD22 ASN 40 HD22 ASN 40 6.454 -9.093 -4.335 364 H GLU 41 H GLU 41 7.196 -7.471 1.833 365 HA GLU 41 HA GLU 41 9.323 -9.098 2.605 366 HB2 GLU 41 HB2 GLU 41 8.012 -6.857 3.629 367 HB3 GLU 41 HB3 GLU 41 7.849 -8.074 4.887 368 HG2 GLU 41 HG2 GLU 41 10.305 -8.423 4.788 369 HG3 GLU 41 HG3 GLU 41 10.404 -7.078 3.653 370 H ASN 42 H ASN 42 5.928 -9.673 2.758 371 HA ASN 42 HA ASN 42 5.685 -11.422 4.889 372 HB2 ASN 42 HB2 ASN 42 3.997 -10.522 2.968 373 HB3 ASN 42 HB3 ASN 42 4.216 -12.188 2.439 374 HD21 ASN 42 HD21 ASN 42 2.548 -10.135 4.489 375 HD22 ASN 42 HD22 ASN 42 1.811 -11.323 5.503 376 H SER 43 H SER 43 7.120 -11.931 1.752 377 HA SER 43 HA SER 43 7.330 -14.805 2.162 378 HB2 SER 43 HB2 SER 43 8.198 -14.908 -0.073 379 HB3 SER 43 HB3 SER 43 6.834 -13.790 -0.096 380 HG SER 43 HG SER 43 8.854 -13.114 -1.184 381 H ASN 44 H ASN 44 9.441 -15.877 1.931 382 HA ASN 44 HA ASN 44 11.574 -16.254 2.618 383 HB2 ASN 44 HB2 ASN 44 11.860 -13.306 2.003 384 HB3 ASN 44 HB3 ASN 44 13.206 -14.384 2.357 385 HD21 ASN 44 HD21 ASN 44 14.251 -14.895 0.587 386 HD22 ASN 44 HD22 ASN 44 13.549 -15.239 -0.954 387 H ASP 45 H ASP 45 11.833 -16.775 4.683 388 HA ASP 45 HA ASP 45 11.603 -14.643 6.706 389 HB2 ASP 45 HB2 ASP 45 10.027 -16.854 6.568 390 HB3 ASP 45 HB3 ASP 45 11.320 -17.441 7.609 391 H ARG 46 H ARG 46 13.315 -14.269 7.973 392 HA ARG 46 HA ARG 46 15.267 -16.288 8.566 393 HB2 ARG 46 HB2 ARG 46 15.832 -14.151 6.551 394 HB3 ARG 46 HB3 ARG 46 17.123 -14.680 7.619 395 HG2 ARG 46 HG2 ARG 46 16.252 -17.067 6.783 396 HG3 ARG 46 HG3 ARG 46 15.810 -16.088 5.382 397 HD2 ARG 46 HD2 ARG 46 18.476 -15.474 6.353 398 HD3 ARG 46 HD3 ARG 46 18.302 -17.174 5.924 399 HE ARG 46 HE ARG 46 18.122 -16.574 3.717 400 HH11 ARG 46 HH11 ARG 46 17.793 -13.726 5.709 401 HH12 ARG 46 HH12 ARG 46 17.868 -12.630 4.369 402 HH21 ARG 46 HH21 ARG 46 18.221 -15.133 1.957 403 HH22 ARG 46 HH22 ARG 46 18.109 -13.428 2.240 404 H SER 47 H SER 47 14.608 -12.801 8.486 405 HA SER 47 HA SER 47 15.974 -12.499 11.059 406 HB2 SER 47 HB2 SER 47 16.238 -10.944 8.929 407 HB3 SER 47 HB3 SER 47 14.799 -10.173 9.596 408 HG SER 47 HG SER 47 16.045 -10.072 11.617 409 H GLU 48 H GLU 48 13.480 -13.877 10.981 410 HA GLU 48 HA GLU 48 11.840 -12.015 12.566 411 HB2 GLU 48 HB2 GLU 48 10.843 -14.135 10.654 412 HB3 GLU 48 HB3 GLU 48 9.824 -13.186 11.728 413 HG2 GLU 48 HG2 GLU 48 11.281 -11.284 10.354 414 HG3 GLU 48 HG3 GLU 48 10.931 -12.513 9.139 415 H HIS 49 H HIS 49 13.023 -12.913 14.381 416 HA HIS 49 HA HIS 49 11.781 -15.394 15.318 417 HB2 HIS 49 HB2 HIS 49 14.666 -14.931 14.861 418 HB3 HIS 49 HB3 HIS 49 14.249 -15.693 16.392 419 HD1 HIS 49 HD1 HIS 49 14.099 -16.260 12.683 420 HD2 HIS 49 HD2 HIS 49 13.391 -18.327 16.217 421 HE1 HIS 49 HE1 HIS 49 13.804 -18.664 12.007 422 HE2 HIS 49 HE2 HIS 49 13.293 -19.883 14.153 423 H HIS 50 H HIS 50 11.677 -12.387 15.864 424 HA HIS 50 HA HIS 50 11.478 -10.977 17.641 425 HB2 HIS 50 HB2 HIS 50 11.055 -13.512 19.232 426 HB3 HIS 50 HB3 HIS 50 10.465 -11.901 19.624 427 HD1 HIS 50 HD1 HIS 50 10.034 -14.451 16.830 428 HD2 HIS 50 HD2 HIS 50 7.915 -11.486 18.828 429 HE1 HIS 50 HE1 HIS 50 7.703 -14.542 15.892 430 HE2 HIS 50 HE2 HIS 50 6.462 -12.684 17.056 431 H LYS 51 H LYS 51 12.128 -11.081 20.286 432 HA LYS 51 HA LYS 51 13.847 -10.831 21.753 433 HB2 LYS 51 HB2 LYS 51 15.259 -12.904 20.066 434 HB3 LYS 51 HB3 LYS 51 15.670 -12.440 21.712 435 HG2 LYS 51 HG2 LYS 51 14.049 -13.706 22.615 436 HG3 LYS 51 HG3 LYS 51 12.905 -13.361 21.317 437 HD2 LYS 51 HD2 LYS 51 14.399 -14.866 19.870 438 HD3 LYS 51 HD3 LYS 51 15.100 -15.409 21.397 439 HE2 LYS 51 HE2 LYS 51 12.174 -15.523 20.675 440 HE3 LYS 51 HE3 LYS 51 13.291 -16.884 20.615 441 HZ1 LYS 51 HZ1 LYS 51 11.773 -16.331 22.719 442 HZ2 LYS 51 HZ2 LYS 51 13.158 -15.456 23.142 443 HZ3 LYS 51 HZ3 LYS 51 13.266 -17.117 22.840 444 H LYS 52 H LYS 52 15.401 -9.327 21.968 445 HA LYS 52 HA LYS 52 16.882 -7.690 21.422 446 HB2 LYS 52 HB2 LYS 52 17.637 -9.886 19.531 447 HB3 LYS 52 HB3 LYS 52 18.412 -8.314 19.390 448 HG2 LYS 52 HG2 LYS 52 19.888 -9.305 20.789 449 HG3 LYS 52 HG3 LYS 52 18.762 -8.677 21.994 450 HD2 LYS 52 HD2 LYS 52 18.744 -10.799 22.745 451 HD3 LYS 52 HD3 LYS 52 17.624 -11.073 21.408 452 HE2 LYS 52 HE2 LYS 52 19.188 -12.153 20.141 453 HE3 LYS 52 HE3 LYS 52 20.533 -11.255 20.841 454 HZ1 LYS 52 HZ1 LYS 52 20.364 -12.569 22.834 455 HZ2 LYS 52 HZ2 LYS 52 20.509 -13.602 21.502 456 HZ3 LYS 52 HZ3 LYS 52 19.005 -13.382 22.242 457 HA PRO 53 HA PRO 53 14.280 -6.043 18.011 458 HB2 PRO 53 HB2 PRO 53 13.044 -4.098 19.346 459 HB3 PRO 53 HB3 PRO 53 12.538 -5.782 19.527 460 HG2 PRO 53 HG2 PRO 53 14.176 -4.088 21.360 461 HG3 PRO 53 HG3 PRO 53 12.941 -5.297 21.752 462 HD2 PRO 53 HD2 PRO 53 15.702 -5.714 21.791 463 HD3 PRO 53 HD3 PRO 53 14.463 -6.984 21.762 464 H ARG 54 H ARG 54 17.115 -5.426 18.751 465 HA ARG 54 HA ARG 54 17.455 -3.096 17.232 466 HB2 ARG 54 HB2 ARG 54 16.547 -2.003 19.260 467 HB3 ARG 54 HB3 ARG 54 17.866 -2.688 20.200 468 HG2 ARG 54 HG2 ARG 54 19.462 -1.331 19.170 469 HG3 ARG 54 HG3 ARG 54 18.389 -0.935 17.828 470 HD2 ARG 54 HD2 ARG 54 16.937 0.301 19.391 471 HD3 ARG 54 HD3 ARG 54 18.072 -0.049 20.693 472 HE ARG 54 HE ARG 54 19.599 1.159 18.792 473 HH11 ARG 54 HH11 ARG 54 16.661 2.025 20.466 474 HH12 ARG 54 HH12 ARG 54 16.973 3.727 20.393 475 HH21 ARG 54 HH21 ARG 54 20.010 3.397 18.695 476 HH22 ARG 54 HH22 ARG 54 18.873 4.506 19.386 477 H ILE 55 H ILE 55 19.732 -2.406 17.127 478 HA ILE 55 HA ILE 55 21.504 -4.673 17.720 479 HB ILE 55 HB ILE 55 22.050 -2.381 15.837 480 HG12 ILE 55 HG12 ILE 55 21.602 -4.522 14.223 481 HG13 ILE 55 HG13 ILE 55 20.436 -4.832 15.505 482 HG21 ILE 55 HG21 ILE 55 23.962 -3.742 16.763 483 HG22 ILE 55 HG22 ILE 55 23.833 -3.693 15.006 484 HG23 ILE 55 HG23 ILE 55 23.291 -5.119 15.890 485 HD11 ILE 55 HD11 ILE 55 19.891 -3.357 13.356 486 HD12 ILE 55 HD12 ILE 55 20.502 -2.091 14.419 487 HD13 ILE 55 HD13 ILE 55 19.136 -3.084 14.926 488 H ASP 56 H ASP 56 23.260 -4.469 18.996 489 HA ASP 56 HA ASP 56 23.504 -2.063 20.574 490 HB2 ASP 56 HB2 ASP 56 23.971 -4.758 21.048 491 HB3 ASP 56 HB3 ASP 56 25.587 -4.064 20.983 492 H ASP 57 H ASP 57 26.169 -1.894 21.138 493 HA ASP 57 HA ASP 57 27.623 -1.597 18.638 494 HB2 ASP 57 HB2 ASP 57 26.558 0.673 20.229 495 HB3 ASP 57 HB3 ASP 57 28.205 0.832 19.629 496 H SER 58 H SER 58 29.591 -2.365 18.968 497 HA SER 58 HA SER 58 31.542 -2.977 19.963 498 HB2 SER 58 HB2 SER 58 30.986 -0.314 20.862 499 HB3 SER 58 HB3 SER 58 31.738 -1.214 22.180 500 HG SER 58 HG SER 58 32.766 -0.487 19.698 501 H SER 59 H SER 59 32.534 -3.624 22.161 502 HA SER 59 HA SER 59 30.492 -5.164 23.580 503 HB2 SER 59 HB2 SER 59 32.734 -6.101 22.574 504 HB3 SER 59 HB3 SER 59 33.431 -5.486 24.072 505 HG SER 59 HG SER 59 31.166 -7.180 24.020 506 H ASP 60 H ASP 60 32.783 -2.588 24.048 507 HA ASP 60 HA ASP 60 33.134 -1.143 25.768 508 HB2 ASP 60 HB2 ASP 60 30.406 -1.838 25.933 509 HB3 ASP 60 HB3 ASP 60 31.024 -1.906 27.581 510 H LEU 61 H LEU 61 32.788 -1.365 28.510 511 HA LEU 61 HA LEU 61 34.698 -3.498 29.111 512 HB2 LEU 61 HB2 LEU 61 34.059 -0.851 30.276 513 HB3 LEU 61 HB3 LEU 61 34.577 -2.092 31.401 514 HG LEU 61 HG LEU 61 36.280 -1.840 29.019 515 HD11 LEU 61 HD11 LEU 61 37.144 0.247 29.346 516 HD12 LEU 61 HD12 LEU 61 36.658 0.306 31.040 517 HD13 LEU 61 HD13 LEU 61 35.458 0.548 29.771 518 HD21 LEU 61 HD21 LEU 61 37.302 -1.549 31.775 519 HD22 LEU 61 HD22 LEU 61 37.893 -2.541 30.442 520 HD23 LEU 61 HD23 LEU 61 36.503 -3.072 31.389 521 H LEU 62 H LEU 62 31.942 -4.167 28.702 522 HA LEU 62 HA LEU 62 31.235 -5.088 31.411 523 HB2 LEU 62 HB2 LEU 62 29.648 -3.725 29.393 524 HB3 LEU 62 HB3 LEU 62 28.915 -5.242 29.879 525 HG LEU 62 HG LEU 62 29.721 -3.909 32.251 526 HD11 LEU 62 HD11 LEU 62 28.334 -1.859 32.054 527 HD12 LEU 62 HD12 LEU 62 28.238 -2.143 30.316 528 HD13 LEU 62 HD13 LEU 62 29.799 -1.826 31.074 529 HD21 LEU 62 HD21 LEU 62 27.899 -5.226 32.549 530 HD22 LEU 62 HD22 LEU 62 27.226 -4.847 30.964 531 HD23 LEU 62 HD23 LEU 62 27.063 -3.695 32.288 532 H LYS 63 H LYS 63 32.586 -6.941 30.974 533 HA LYS 63 HA LYS 63 31.740 -8.757 28.873 534 HB2 LYS 63 HB2 LYS 63 34.170 -8.266 29.942 535 HB3 LYS 63 HB3 LYS 63 33.693 -9.654 30.912 536 HG2 LYS 63 HG2 LYS 63 33.873 -11.092 29.190 537 HG3 LYS 63 HG3 LYS 63 33.276 -9.924 28.011 538 HD2 LYS 63 HD2 LYS 63 35.415 -8.826 27.938 539 HD3 LYS 63 HD3 LYS 63 36.023 -9.832 29.254 540 HE2 LYS 63 HE2 LYS 63 35.137 -10.865 26.562 541 HE3 LYS 63 HE3 LYS 63 36.811 -10.549 27.014 542 HZ1 LYS 63 HZ1 LYS 63 36.748 -12.708 27.589 543 HZ2 LYS 63 HZ2 LYS 63 35.067 -12.739 27.778 544 HZ3 LYS 63 HZ3 LYS 63 36.048 -12.127 29.014 545 H THR 64 H THR 64 29.576 -9.068 29.723 546 HA THR 64 HA THR 64 29.491 -10.875 32.048 547 HB THR 64 HB THR 64 27.249 -9.205 30.895 548 HG1 THR 64 HG1 THR 64 27.562 -7.947 32.772 549 HG21 THR 64 HG21 THR 64 26.969 -10.037 33.642 550 HG22 THR 64 HG22 THR 64 27.059 -11.414 32.544 551 HG23 THR 64 HG23 THR 64 25.835 -10.167 32.298 552 H ASP 65 H ASP 65 28.364 -12.803 31.916 553 HA ASP 65 HA ASP 65 27.888 -13.753 29.189 554 HB2 ASP 65 HB2 ASP 65 28.442 -15.119 31.805 555 HB3 ASP 65 HB3 ASP 65 27.727 -16.014 30.468 556 H GLU 66 H GLU 66 25.862 -13.318 28.549 557 HA GLU 66 HA GLU 66 23.676 -14.611 29.889 558 HB2 GLU 66 HB2 GLU 66 23.839 -12.511 31.174 559 HB3 GLU 66 HB3 GLU 66 23.667 -11.594 29.684 560 HG2 GLU 66 HG2 GLU 66 21.436 -12.225 29.415 561 HG3 GLU 66 HG3 GLU 66 21.583 -13.556 30.564 562 H ILE 67 H ILE 67 24.193 -11.904 27.619 563 HA ILE 67 HA ILE 67 22.183 -12.970 25.828 564 HB ILE 67 HB ILE 67 22.804 -10.995 24.398 565 HG12 ILE 67 HG12 ILE 67 24.188 -9.702 26.660 566 HG13 ILE 67 HG13 ILE 67 25.113 -10.966 25.854 567 HG21 ILE 67 HG21 ILE 67 22.134 -10.131 27.192 568 HG22 ILE 67 HG22 ILE 67 21.012 -11.087 26.224 569 HG23 ILE 67 HG23 ILE 67 21.528 -9.497 25.661 570 HD11 ILE 67 HD11 ILE 67 25.530 -8.704 24.964 571 HD12 ILE 67 HD12 ILE 67 23.847 -8.628 24.451 572 HD13 ILE 67 HD13 ILE 67 24.927 -9.831 23.751 573 H1 GLY 68 H1 GLY 68 4.502 6.756 30.866 574 H2 GLY 68 H2 GLY 68 3.487 7.037 32.188 575 H3 GLY 68 H3 GLY 68 3.097 7.680 30.672 576 HA2 GLY 68 HA2 GLY 68 3.421 4.785 30.841 577 HA3 GLY 68 HA3 GLY 68 1.991 5.474 31.596 578 H HIS 69 H HIS 69 3.466 6.972 28.819 579 HA HIS 69 HA HIS 69 1.136 6.152 27.214 580 HB2 HIS 69 HB2 HIS 69 2.816 8.662 27.086 581 HB3 HIS 69 HB3 HIS 69 1.599 8.238 25.889 582 HD1 HIS 69 HD1 HIS 69 1.420 8.160 29.691 583 HD2 HIS 69 HD2 HIS 69 -0.487 9.873 26.421 584 HE1 HIS 69 HE1 HIS 69 -0.526 9.437 30.642 585 HE2 HIS 69 HE2 HIS 69 -1.616 10.534 28.652 586 H MET 70 H MET 70 4.350 7.479 26.442 587 HA MET 70 HA MET 70 5.948 6.834 24.958 588 HB2 MET 70 HB2 MET 70 4.762 4.092 25.423 589 HB3 MET 70 HB3 MET 70 6.302 4.412 24.636 590 HG2 MET 70 HG2 MET 70 7.134 4.052 26.682 591 HG3 MET 70 HG3 MET 70 6.667 5.729 26.955 592 HE1 MET 70 HE1 MET 70 7.367 3.884 29.008 593 HE2 MET 70 HE2 MET 70 6.392 2.418 29.079 594 HE3 MET 70 HE3 MET 70 6.097 3.729 30.221 595 H MET 71 H MET 71 5.684 7.577 22.959 596 HA MET 71 HA MET 71 3.510 6.502 21.310 597 HB2 MET 71 HB2 MET 71 4.483 9.111 21.719 598 HB3 MET 71 HB3 MET 71 4.945 8.680 20.078 599 HG2 MET 71 HG2 MET 71 2.811 9.781 20.060 600 HG3 MET 71 HG3 MET 71 2.608 8.092 19.597 601 HE1 MET 71 HE1 MET 71 -0.627 8.695 20.941 602 HE2 MET 71 HE2 MET 71 0.457 9.699 19.981 603 HE3 MET 71 HE3 MET 71 -0.058 10.236 21.581 604 H SER 72 H SER 72 6.974 6.714 21.542 605 HA SER 72 HA SER 72 8.654 5.707 20.386 606 HB2 SER 72 HB2 SER 72 6.525 4.061 19.012 607 HB3 SER 72 HB3 SER 72 8.217 3.637 19.268 608 HG SER 72 HG SER 72 6.327 4.046 21.346 609 H LYS 73 H LYS 73 9.790 6.542 18.767 610 HA LYS 73 HA LYS 73 8.327 7.608 16.446 611 HB2 LYS 73 HB2 LYS 73 9.929 8.985 18.140 612 HB3 LYS 73 HB3 LYS 73 11.104 8.498 16.927 613 HG2 LYS 73 HG2 LYS 73 9.680 9.503 15.183 614 HG3 LYS 73 HG3 LYS 73 8.572 10.052 16.442 615 HD2 LYS 73 HD2 LYS 73 9.805 11.926 16.436 616 HD3 LYS 73 HD3 LYS 73 10.973 10.978 17.358 617 HE2 LYS 73 HE2 LYS 73 12.422 10.850 15.637 618 HE3 LYS 73 HE3 LYS 73 11.138 10.664 14.440 619 HZ1 LYS 73 HZ1 LYS 73 12.493 12.777 14.339 620 HZ2 LYS 73 HZ2 LYS 73 11.699 13.256 15.756 621 HZ3 LYS 73 HZ3 LYS 73 10.812 12.968 14.344 622 H LEU 74 H LEU 74 10.683 5.326 17.449 623 HA LEU 74 HA LEU 74 12.318 5.066 15.233 624 HB2 LEU 74 HB2 LEU 74 11.230 2.781 16.874 625 HB3 LEU 74 HB3 LEU 74 12.714 2.792 15.941 626 HG LEU 74 HG LEU 74 12.918 4.942 17.754 627 HD11 LEU 74 HD11 LEU 74 12.805 3.280 19.837 628 HD12 LEU 74 HD12 LEU 74 11.489 2.608 18.874 629 HD13 LEU 74 HD13 LEU 74 11.452 4.304 19.357 630 HD21 LEU 74 HD21 LEU 74 14.812 3.730 18.580 631 HD22 LEU 74 HD22 LEU 74 14.712 3.481 16.836 632 HD23 LEU 74 HD23 LEU 74 14.181 2.213 17.941 633 H PHE 75 H PHE 75 11.253 5.364 13.296 634 HA PHE 75 HA PHE 75 9.638 3.081 12.407 635 HB2 PHE 75 HB2 PHE 75 8.087 4.915 12.950 636 HB3 PHE 75 HB3 PHE 75 8.966 5.981 11.861 637 HD1 PHE 75 HD1 PHE 75 6.774 3.034 12.055 638 HD2 PHE 75 HD2 PHE 75 8.637 5.890 9.508 639 HE1 PHE 75 HE1 PHE 75 5.343 2.301 10.193 640 HE2 PHE 75 HE2 PHE 75 7.207 5.163 7.642 641 HZ PHE 75 HZ PHE 75 5.559 3.365 7.983 642 H LEU 76 H LEU 76 11.400 6.001 11.415 643 HA LEU 76 HA LEU 76 11.772 5.105 8.725 644 HB2 LEU 76 HB2 LEU 76 12.942 7.340 10.359 645 HB3 LEU 76 HB3 LEU 76 13.507 7.002 8.733 646 HG LEU 76 HG LEU 76 10.987 7.213 8.091 647 HD11 LEU 76 HD11 LEU 76 9.812 7.415 10.045 648 HD12 LEU 76 HD12 LEU 76 10.071 9.116 9.653 649 HD13 LEU 76 HD13 LEU 76 11.092 8.323 10.850 650 HD21 LEU 76 HD21 LEU 76 11.349 9.801 8.125 651 HD22 LEU 76 HD22 LEU 76 12.372 8.771 7.122 652 HD23 LEU 76 HD23 LEU 76 12.967 9.365 8.672 653 H ASP 77 H ASP 77 13.551 4.819 11.710 654 HA ASP 77 HA ASP 77 16.069 4.142 10.663 655 HB2 ASP 77 HB2 ASP 77 14.914 4.383 13.211 656 HB3 ASP 77 HB3 ASP 77 15.505 2.727 13.122 657 H GLU 78 H GLU 78 13.288 2.130 11.558 658 HA GLU 78 HA GLU 78 14.553 -0.343 10.979 659 HB2 GLU 78 HB2 GLU 78 11.587 0.224 10.956 660 HB3 GLU 78 HB3 GLU 78 12.370 -1.330 11.208 661 HG2 GLU 78 HG2 GLU 78 13.288 -0.548 13.316 662 HG3 GLU 78 HG3 GLU 78 12.559 1.036 13.059 663 H LEU 79 H LEU 79 11.845 1.188 9.227 664 HA LEU 79 HA LEU 79 11.957 -0.346 6.941 665 HB2 LEU 79 HB2 LEU 79 10.588 1.249 5.924 666 HB3 LEU 79 HB3 LEU 79 10.251 1.429 7.632 667 HG LEU 79 HG LEU 79 12.142 3.299 7.417 668 HD11 LEU 79 HD11 LEU 79 11.040 2.935 4.657 669 HD12 LEU 79 HD12 LEU 79 12.712 3.162 5.166 670 HD13 LEU 79 HD13 LEU 79 11.582 4.515 5.222 671 HD21 LEU 79 HD21 LEU 79 9.796 3.539 8.214 672 HD22 LEU 79 HD22 LEU 79 9.298 3.769 6.538 673 HD23 LEU 79 HD23 LEU 79 10.387 4.927 7.301 674 HA PRO 80 HA PRO 80 15.352 0.595 4.292 675 HB2 PRO 80 HB2 PRO 80 13.548 2.233 2.554 676 HB3 PRO 80 HB3 PRO 80 14.705 0.975 2.102 677 HG2 PRO 80 HG2 PRO 80 12.105 0.439 2.168 678 HG3 PRO 80 HG3 PRO 80 13.286 -0.749 2.753 679 HD2 PRO 80 HD2 PRO 80 11.448 1.017 4.293 680 HD3 PRO 80 HD3 PRO 80 12.025 -0.617 4.674 681 H GLU 81 H GLU 81 16.399 1.936 5.815 682 HA GLU 81 HA GLU 81 15.901 4.605 6.341 683 HB2 GLU 81 HB2 GLU 81 18.185 4.742 7.140 684 HB3 GLU 81 HB3 GLU 81 17.487 3.196 7.604 685 HG2 GLU 81 HG2 GLU 81 18.644 2.141 5.697 686 HG3 GLU 81 HG3 GLU 81 19.403 3.692 5.337 687 H SER 82 H SER 82 17.373 3.157 3.548 688 HA SER 82 HA SER 82 18.777 5.367 2.542 689 HB2 SER 82 HB2 SER 82 18.871 2.965 1.711 690 HB3 SER 82 HB3 SER 82 17.372 3.301 0.844 691 HG SER 82 HG SER 82 18.573 5.114 -0.111 692 H LEU 83 H LEU 83 15.439 4.290 1.963 693 HA LEU 83 HA LEU 83 14.839 6.588 0.334 694 HB2 LEU 83 HB2 LEU 83 12.829 4.701 1.536 695 HB3 LEU 83 HB3 LEU 83 12.674 5.666 0.081 696 HG LEU 83 HG LEU 83 14.708 3.464 0.274 697 HD11 LEU 83 HD11 LEU 83 12.821 2.253 -1.117 698 HD12 LEU 83 HD12 LEU 83 11.772 3.269 -0.129 699 HD13 LEU 83 HD13 LEU 83 12.889 2.141 0.641 700 HD21 LEU 83 HD21 LEU 83 13.314 4.171 -2.228 701 HD22 LEU 83 HD22 LEU 83 15.007 3.769 -1.944 702 HD23 LEU 83 HD23 LEU 83 14.410 5.389 -1.576 703 H SER 84 H SER 84 14.496 5.667 3.677 704 HA SER 84 HA SER 84 12.522 7.378 4.566 705 HB2 SER 84 HB2 SER 84 15.048 6.889 6.139 706 HB3 SER 84 HB3 SER 84 13.405 7.099 6.743 707 HG SER 84 HG SER 84 13.182 5.029 6.585 708 H ARG 85 H ARG 85 15.779 8.120 3.585 709 HA ARG 85 HA ARG 85 16.113 10.610 4.812 710 HB2 ARG 85 HB2 ARG 85 17.310 9.180 2.526 711 HB3 ARG 85 HB3 ARG 85 17.453 10.932 2.468 712 HG2 ARG 85 HG2 ARG 85 18.494 10.913 4.686 713 HG3 ARG 85 HG3 ARG 85 18.373 9.153 4.716 714 HD2 ARG 85 HD2 ARG 85 20.406 9.141 3.795 715 HD3 ARG 85 HD3 ARG 85 19.614 9.660 2.307 716 HE ARG 85 HE ARG 85 20.222 11.882 3.965 717 HH11 ARG 85 HH11 ARG 85 21.686 9.582 1.786 718 HH12 ARG 85 HH12 ARG 85 22.977 10.645 1.333 719 HH21 ARG 85 HH21 ARG 85 21.918 13.278 3.372 720 HH22 ARG 85 HH22 ARG 85 23.109 12.742 2.234 721 H LYS 86 H LYS 86 14.645 9.759 1.700 722 HA LYS 86 HA LYS 86 14.020 12.501 1.074 723 HB2 LYS 86 HB2 LYS 86 13.404 9.857 -0.220 724 HB3 LYS 86 HB3 LYS 86 12.640 11.339 -0.778 725 HG2 LYS 86 HG2 LYS 86 14.396 11.571 -2.117 726 HG3 LYS 86 HG3 LYS 86 15.303 12.018 -0.671 727 HD2 LYS 86 HD2 LYS 86 15.688 9.497 -0.376 728 HD3 LYS 86 HD3 LYS 86 15.158 9.356 -2.054 729 HE2 LYS 86 HE2 LYS 86 16.921 11.197 -2.507 730 HE3 LYS 86 HE3 LYS 86 17.580 10.723 -0.941 731 HZ1 LYS 86 HZ1 LYS 86 18.312 8.764 -1.742 732 HZ2 LYS 86 HZ2 LYS 86 18.296 9.584 -3.222 733 HZ3 LYS 86 HZ3 LYS 86 17.013 8.564 -2.806 734 H ILE 87 H ILE 87 12.428 9.811 2.606 735 HA ILE 87 HA ILE 87 9.776 10.858 2.394 736 HB ILE 87 HB ILE 87 10.805 8.846 4.397 737 HG12 ILE 87 HG12 ILE 87 9.470 8.194 1.776 738 HG13 ILE 87 HG13 ILE 87 11.220 8.355 1.902 739 HG21 ILE 87 HG21 ILE 87 8.265 8.130 3.876 740 HG22 ILE 87 HG22 ILE 87 8.143 9.875 3.658 741 HG23 ILE 87 HG23 ILE 87 8.724 9.216 5.188 742 HD11 ILE 87 HD11 ILE 87 9.777 6.536 3.768 743 HD12 ILE 87 HD12 ILE 87 11.434 6.455 3.171 744 HD13 ILE 87 HD13 ILE 87 10.093 6.024 2.111 745 H GLY 88 H GLY 88 12.263 10.849 4.922 746 HA2 GLY 88 HA2 GLY 88 10.827 12.007 6.993 747 HA3 GLY 88 HA3 GLY 88 12.557 12.197 6.755 748 H THR 89 H THR 89 12.429 13.589 4.267 749 HA THR 89 HA THR 89 12.073 16.229 5.240 750 HB THR 89 HB THR 89 13.748 15.665 3.531 751 HG1 THR 89 HG1 THR 89 12.943 17.805 3.633 752 HG21 THR 89 HG21 THR 89 11.370 14.869 1.959 753 HG22 THR 89 HG22 THR 89 12.989 14.175 2.006 754 HG23 THR 89 HG23 THR 89 12.693 15.667 1.113 755 H VAL 90 H VAL 90 10.099 14.068 3.315 756 HA VAL 90 HA VAL 90 8.175 16.098 2.620 757 HB VAL 90 HB VAL 90 7.845 13.103 2.427 758 HG11 VAL 90 HG11 VAL 90 5.747 14.135 2.156 759 HG12 VAL 90 HG12 VAL 90 6.324 13.817 0.520 760 HG13 VAL 90 HG13 VAL 90 6.425 15.445 1.190 761 HG21 VAL 90 HG21 VAL 90 8.416 14.180 -0.104 762 HG22 VAL 90 HG22 VAL 90 9.419 13.093 0.858 763 HG23 VAL 90 HG23 VAL 90 9.628 14.839 0.995 764 H VAL 91 H VAL 91 8.399 13.453 4.956 765 HA VAL 91 HA VAL 91 5.794 13.521 5.945 766 HB VAL 91 HB VAL 91 8.270 12.958 7.582 767 HG11 VAL 91 HG11 VAL 91 6.328 13.131 8.964 768 HG12 VAL 91 HG12 VAL 91 6.714 11.419 8.788 769 HG13 VAL 91 HG13 VAL 91 5.389 12.124 7.864 770 HG21 VAL 91 HG21 VAL 91 8.665 11.180 6.313 771 HG22 VAL 91 HG22 VAL 91 7.315 11.611 5.263 772 HG23 VAL 91 HG23 VAL 91 7.048 10.570 6.662 773 H ARG 92 H ARG 92 8.543 15.587 6.619 774 HA ARG 92 HA ARG 92 7.743 16.803 8.975 775 HB2 ARG 92 HB2 ARG 92 9.661 17.301 6.912 776 HB3 ARG 92 HB3 ARG 92 8.875 18.819 7.326 777 HG2 ARG 92 HG2 ARG 92 10.716 18.720 8.742 778 HG3 ARG 92 HG3 ARG 92 9.369 18.199 9.756 779 HD2 ARG 92 HD2 ARG 92 10.088 16.028 9.835 780 HD3 ARG 92 HD3 ARG 92 10.890 16.124 8.269 781 HE ARG 92 HE ARG 92 12.808 16.684 9.361 782 HH11 ARG 92 HH11 ARG 92 10.113 17.420 11.452 783 HH12 ARG 92 HH12 ARG 92 11.112 17.875 12.789 784 HH21 ARG 92 HH21 ARG 92 14.125 17.286 11.118 785 HH22 ARG 92 HH22 ARG 92 13.391 17.801 12.600 786 H VAL 93 H VAL 93 6.551 17.235 5.733 787 HA VAL 93 HA VAL 93 5.106 19.655 6.297 788 HB VAL 93 HB VAL 93 4.781 17.746 3.975 789 HG11 VAL 93 HG11 VAL 93 3.748 19.611 2.826 790 HG12 VAL 93 HG12 VAL 93 3.988 20.645 4.235 791 HG13 VAL 93 HG13 VAL 93 2.880 19.276 4.324 792 HG21 VAL 93 HG21 VAL 93 6.990 18.426 3.798 793 HG22 VAL 93 HG22 VAL 93 6.657 20.026 4.463 794 HG23 VAL 93 HG23 VAL 93 6.141 19.625 2.824 795 H LEU 94 H LEU 94 4.339 16.214 6.066 796 HA LEU 94 HA LEU 94 1.755 16.770 7.347 797 HB2 LEU 94 HB2 LEU 94 2.323 15.394 4.821 798 HB3 LEU 94 HB3 LEU 94 1.273 14.498 5.901 799 HG LEU 94 HG LEU 94 -0.207 16.496 6.033 800 HD11 LEU 94 HD11 LEU 94 0.166 18.066 3.983 801 HD12 LEU 94 HD12 LEU 94 1.846 17.555 4.153 802 HD13 LEU 94 HD13 LEU 94 1.027 18.353 5.495 803 HD21 LEU 94 HD21 LEU 94 -1.131 14.993 4.599 804 HD22 LEU 94 HD22 LEU 94 0.300 14.926 3.571 805 HD23 LEU 94 HD23 LEU 94 -0.809 16.294 3.451 806 HA PRO 95 HA PRO 95 4.264 13.631 9.741 807 HB2 PRO 95 HB2 PRO 95 3.370 15.233 12.037 808 HB3 PRO 95 HB3 PRO 95 5.002 14.737 11.587 809 HG2 PRO 95 HG2 PRO 95 4.182 17.293 11.379 810 HG3 PRO 95 HG3 PRO 95 5.332 16.575 10.235 811 HD2 PRO 95 HD2 PRO 95 2.395 17.073 9.911 812 HD3 PRO 95 HD3 PRO 95 3.715 17.309 8.745 813 H SER 96 H SER 96 1.121 15.130 10.258 814 HA SER 96 HA SER 96 0.124 12.955 11.862 815 HB2 SER 96 HB2 SER 96 -0.923 15.550 10.871 816 HB3 SER 96 HB3 SER 96 -2.114 14.291 11.192 817 HG SER 96 HG SER 96 -1.834 15.363 13.093 818 H SER 97 H SER 97 -0.051 13.977 8.502 819 HA SER 97 HA SER 97 -2.106 12.274 7.644 820 HB2 SER 97 HB2 SER 97 -0.786 14.200 6.410 821 HB3 SER 97 HB3 SER 97 0.207 12.857 5.841 822 HG SER 97 HG SER 97 -1.355 12.941 4.362 823 H LEU 98 H LEU 98 1.407 11.781 7.737 824 HA LEU 98 HA LEU 98 1.473 9.240 6.591 825 HB2 LEU 98 HB2 LEU 98 3.591 10.011 6.752 826 HB3 LEU 98 HB3 LEU 98 3.265 10.902 8.225 827 HG LEU 98 HG LEU 98 3.463 8.815 9.521 828 HD11 LEU 98 HD11 LEU 98 4.725 7.353 7.306 829 HD12 LEU 98 HD12 LEU 98 2.972 7.521 7.199 830 HD13 LEU 98 HD13 LEU 98 3.699 6.770 8.618 831 HD21 LEU 98 HD21 LEU 98 5.654 9.951 7.897 832 HD22 LEU 98 HD22 LEU 98 5.990 8.435 8.730 833 HD23 LEU 98 HD23 LEU 98 5.472 9.850 9.648 834 H GLU 99 H GLU 99 0.767 10.263 9.871 835 HA GLU 99 HA GLU 99 1.014 7.843 11.218 836 HB2 GLU 99 HB2 GLU 99 -1.019 10.031 11.695 837 HB3 GLU 99 HB3 GLU 99 -0.593 8.766 12.841 838 HG2 GLU 99 HG2 GLU 99 1.660 10.356 11.827 839 HG3 GLU 99 HG3 GLU 99 0.493 11.235 12.813 840 H ILE 100 H ILE 100 -1.535 9.019 9.127 841 HA ILE 100 HA ILE 100 -3.428 6.987 9.801 842 HB ILE 100 HB ILE 100 -3.337 8.626 7.268 843 HG12 ILE 100 HG12 ILE 100 -4.952 9.335 9.701 844 HG13 ILE 100 HG13 ILE 100 -3.284 9.878 9.551 845 HG21 ILE 100 HG21 ILE 100 -5.944 8.264 7.836 846 HG22 ILE 100 HG22 ILE 100 -5.270 6.771 8.491 847 HG23 ILE 100 HG23 ILE 100 -5.007 7.190 6.798 848 HD11 ILE 100 HD11 ILE 100 -5.641 10.998 8.427 849 HD12 ILE 100 HD12 ILE 100 -4.574 10.485 7.120 850 HD13 ILE 100 HD13 ILE 100 -3.983 11.596 8.357 851 H PHE 101 H PHE 101 -1.018 7.414 7.252 852 HA PHE 101 HA PHE 101 -1.731 5.081 5.796 853 HB2 PHE 101 HB2 PHE 101 0.810 6.719 5.830 854 HB3 PHE 101 HB3 PHE 101 0.502 5.402 4.704 855 HD1 PHE 101 HD1 PHE 101 -1.292 5.609 3.020 856 HD2 PHE 101 HD2 PHE 101 -0.172 8.858 5.531 857 HE1 PHE 101 HE1 PHE 101 -2.437 7.171 1.504 858 HE2 PHE 101 HE2 PHE 101 -1.314 10.426 4.017 859 HZ PHE 101 HZ PHE 101 -2.450 9.582 2.001 860 H GLU 102 H GLU 102 0.310 5.706 8.543 861 HA GLU 102 HA GLU 102 1.942 3.433 8.471 862 HB2 GLU 102 HB2 GLU 102 1.240 5.492 10.393 863 HB3 GLU 102 HB3 GLU 102 1.449 3.932 11.176 864 HG2 GLU 102 HG2 GLU 102 3.672 3.792 10.611 865 HG3 GLU 102 HG3 GLU 102 3.502 4.884 9.238 866 H GLU 103 H GLU 103 -1.180 3.944 10.103 867 HA GLU 103 HA GLU 103 -1.365 1.234 10.995 868 HB2 GLU 103 HB2 GLU 103 -2.744 3.660 11.473 869 HB3 GLU 103 HB3 GLU 103 -3.936 2.512 10.874 870 HG2 GLU 103 HG2 GLU 103 -3.060 0.896 12.606 871 HG3 GLU 103 HG3 GLU 103 -2.168 2.259 13.287 872 H LEU 104 H LEU 104 -2.391 3.010 8.180 873 HA LEU 104 HA LEU 104 -4.298 1.201 7.187 874 HB2 LEU 104 HB2 LEU 104 -4.429 3.201 6.097 875 HB3 LEU 104 HB3 LEU 104 -2.698 3.449 6.115 876 HG LEU 104 HG LEU 104 -3.816 3.163 3.849 877 HD11 LEU 104 HD11 LEU 104 -1.851 2.457 2.968 878 HD12 LEU 104 HD12 LEU 104 -1.695 1.111 4.097 879 HD13 LEU 104 HD13 LEU 104 -1.315 2.754 4.621 880 HD21 LEU 104 HD21 LEU 104 -4.766 0.807 5.037 881 HD22 LEU 104 HD22 LEU 104 -3.584 0.303 3.826 882 HD23 LEU 104 HD23 LEU 104 -4.946 1.320 3.358 883 H TYR 105 H TYR 105 -0.795 1.436 6.706 884 HA TYR 105 HA TYR 105 -0.747 -0.846 4.952 885 HB2 TYR 105 HB2 TYR 105 1.452 -0.327 4.554 886 HB3 TYR 105 HB3 TYR 105 0.887 1.241 5.115 887 HD1 TYR 105 HD1 TYR 105 2.621 -1.853 6.237 888 HD2 TYR 105 HD2 TYR 105 1.885 2.272 6.960 889 HE1 TYR 105 HE1 TYR 105 4.359 -1.856 7.978 890 HE2 TYR 105 HE2 TYR 105 3.619 2.283 8.705 891 HH TYR 105 HH TYR 105 4.651 0.193 10.288 892 H LYS 106 H LYS 106 -0.708 -0.355 8.332 893 HA LYS 106 HA LYS 106 0.843 -2.554 9.158 894 HB2 LYS 106 HB2 LYS 106 -0.589 -0.507 10.399 895 HB3 LYS 106 HB3 LYS 106 -1.371 -1.983 10.948 896 HG2 LYS 106 HG2 LYS 106 0.353 -1.362 12.499 897 HG3 LYS 106 HG3 LYS 106 0.828 -2.842 11.664 898 HD2 LYS 106 HD2 LYS 106 2.524 -1.818 10.527 899 HD3 LYS 106 HD3 LYS 106 1.703 -0.256 10.496 900 HE2 LYS 106 HE2 LYS 106 2.786 -1.445 13.033 901 HE3 LYS 106 HE3 LYS 106 3.785 -0.464 11.961 902 HZ1 LYS 106 HZ1 LYS 106 2.718 1.416 12.543 903 HZ2 LYS 106 HZ2 LYS 106 2.349 0.547 13.947 904 HZ3 LYS 106 HZ3 LYS 106 1.210 0.666 12.701 905 H TYR 107 H TYR 107 -2.684 -2.240 8.719 906 HA TYR 107 HA TYR 107 -3.110 -5.028 9.263 907 HB2 TYR 107 HB2 TYR 107 -5.431 -4.600 8.899 908 HB3 TYR 107 HB3 TYR 107 -4.781 -3.212 9.763 909 HD1 TYR 107 HD1 TYR 107 -5.591 -4.378 6.312 910 HD2 TYR 107 HD2 TYR 107 -5.187 -1.069 8.956 911 HE1 TYR 107 HE1 TYR 107 -6.498 -2.890 4.578 912 HE2 TYR 107 HE2 TYR 107 -6.097 0.428 7.231 913 HH TYR 107 HH TYR 107 -6.488 -0.539 3.978 914 H ALA 108 H ALA 108 -2.596 -3.067 6.436 915 HA ALA 108 HA ALA 108 -3.655 -4.693 4.444 916 HB1 ALA 108 HB1 ALA 108 -2.977 -2.713 3.561 917 HB2 ALA 108 HB2 ALA 108 -1.564 -3.682 3.141 918 HB3 ALA 108 HB3 ALA 108 -1.527 -2.637 4.561 919 H LEU 109 H LEU 109 -0.745 -5.051 6.326 920 HA LEU 109 HA LEU 109 0.502 -6.983 4.638 921 HB2 LEU 109 HB2 LEU 109 0.934 -5.976 7.412 922 HB3 LEU 109 HB3 LEU 109 1.705 -7.476 6.936 923 HG LEU 109 HG LEU 109 2.041 -5.085 5.184 924 HD11 LEU 109 HD11 LEU 109 2.737 -3.919 6.993 925 HD12 LEU 109 HD12 LEU 109 4.215 -4.842 6.719 926 HD13 LEU 109 HD13 LEU 109 3.058 -5.370 7.943 927 HD21 LEU 109 HD21 LEU 109 2.931 -7.632 5.026 928 HD22 LEU 109 HD22 LEU 109 4.272 -6.871 5.881 929 HD23 LEU 109 HD23 LEU 109 3.760 -6.248 4.313 930 H ASN 110 H ASN 110 -1.449 -7.178 7.592 931 HA ASN 110 HA ASN 110 -1.328 -9.953 7.937 932 HB2 ASN 110 HB2 ASN 110 -3.193 -7.799 8.830 933 HB3 ASN 110 HB3 ASN 110 -3.696 -9.474 9.034 934 HD21 ASN 110 HD21 ASN 110 -3.354 -10.116 11.022 935 HD22 ASN 110 HD22 ASN 110 -1.973 -9.749 11.995 936 H GLU 111 H GLU 111 -3.242 -7.977 5.797 937 HA GLU 111 HA GLU 111 -5.295 -9.755 5.162 938 HB2 GLU 111 HB2 GLU 111 -5.276 -7.404 4.455 939 HB3 GLU 111 HB3 GLU 111 -3.937 -7.738 3.366 940 HG2 GLU 111 HG2 GLU 111 -5.865 -9.585 2.641 941 HG3 GLU 111 HG3 GLU 111 -6.779 -8.118 2.987 942 H ASN 112 H ASN 112 -1.964 -9.646 4.121 943 HA ASN 112 HA ASN 112 -2.194 -11.373 1.895 944 HB2 ASN 112 HB2 ASN 112 -0.069 -10.087 3.384 945 HB3 ASN 112 HB3 ASN 112 0.373 -11.740 2.963 946 HD21 ASN 112 HD21 ASN 112 1.567 -9.361 1.967 947 HD22 ASN 112 HD22 ASN 112 1.313 -9.329 0.259 948 H SER 113 H SER 113 -1.868 -11.927 5.330 949 HA SER 113 HA SER 113 -1.475 -14.789 4.939 950 HB2 SER 113 HB2 SER 113 -0.375 -13.233 6.774 951 HB3 SER 113 HB3 SER 113 -1.871 -13.574 7.643 952 HG SER 113 HG SER 113 0.233 -15.085 7.555 953 H ASN 114 H ASN 114 -3.567 -15.099 3.922 954 HA ASN 114 HA ASN 114 -5.915 -14.765 5.604 955 HB2 ASN 114 HB2 ASN 114 -5.577 -14.566 2.913 956 HB3 ASN 114 HB3 ASN 114 -6.178 -16.216 3.045 957 HD21 ASN 114 HD21 ASN 114 -8.290 -16.524 3.261 958 HD22 ASN 114 HD22 ASN 114 -9.455 -15.285 3.569 959 H ASP 115 H ASP 115 -7.515 -16.796 5.232 960 HA ASP 115 HA ASP 115 -6.230 -19.354 5.433 961 HB2 ASP 115 HB2 ASP 115 -7.031 -19.830 7.743 962 HB3 ASP 115 HB3 ASP 115 -5.780 -18.592 7.685 963 H ARG 116 H ARG 116 -7.780 -21.116 5.683 964 HA ARG 116 HA ARG 116 -10.594 -20.470 5.454 965 HB2 ARG 116 HB2 ARG 116 -10.787 -21.829 3.325 966 HB3 ARG 116 HB3 ARG 116 -10.057 -20.238 3.157 967 HG2 ARG 116 HG2 ARG 116 -7.884 -21.157 2.954 968 HG3 ARG 116 HG3 ARG 116 -8.442 -22.756 3.450 969 HD2 ARG 116 HD2 ARG 116 -9.618 -21.455 1.031 970 HD3 ARG 116 HD3 ARG 116 -8.038 -22.229 0.925 971 HE ARG 116 HE ARG 116 -10.591 -23.524 1.167 972 HH11 ARG 116 HH11 ARG 116 -7.158 -23.844 1.712 973 HH12 ARG 116 HH12 ARG 116 -7.188 -25.575 1.674 974 HH21 ARG 116 HH21 ARG 116 -10.631 -25.800 1.119 975 HH22 ARG 116 HH22 ARG 116 -9.158 -26.687 1.337 976 H SER 117 H SER 117 -10.454 -21.661 7.479 977 HA SER 117 HA SER 117 -9.758 -24.455 7.406 978 HB2 SER 117 HB2 SER 117 -9.401 -23.092 9.438 979 HB3 SER 117 HB3 SER 117 -11.144 -22.862 9.577 980 HG SER 117 HG SER 117 -11.379 -25.054 9.943 981 H GLU 118 H GLU 118 -12.749 -22.565 7.644 982 HA GLU 118 HA GLU 118 -14.221 -24.856 6.587 983 HB2 GLU 118 HB2 GLU 118 -15.077 -23.354 9.068 984 HB3 GLU 118 HB3 GLU 118 -16.000 -24.614 8.259 985 HG2 GLU 118 HG2 GLU 118 -13.644 -25.886 8.708 986 HG3 GLU 118 HG3 GLU 118 -13.740 -24.817 10.108 987 H HIS 119 H HIS 119 -16.556 -24.176 6.098 988 HA HIS 119 HA HIS 119 -16.420 -21.730 4.558 989 HB2 HIS 119 HB2 HIS 119 -18.486 -23.916 4.790 990 HB3 HIS 119 HB3 HIS 119 -18.752 -22.463 3.833 991 HD1 HIS 119 HD1 HIS 119 -15.501 -24.386 3.986 992 HD2 HIS 119 HD2 HIS 119 -18.605 -23.595 1.339 993 HE1 HIS 119 HE1 HIS 119 -14.752 -25.316 1.773 994 HE2 HIS 119 HE2 HIS 119 -16.608 -24.746 0.168 995 H HIS 120 H HIS 120 -18.771 -20.584 4.513 996 HA HIS 120 HA HIS 120 -19.470 -19.969 7.306 997 HB2 HIS 120 HB2 HIS 120 -19.887 -17.582 6.374 998 HB3 HIS 120 HB3 HIS 120 -18.236 -18.077 6.730 999 HD1 HIS 120 HD1 HIS 120 -16.924 -19.052 4.491 1000 HD2 HIS 120 HD2 HIS 120 -20.176 -16.535 3.899 1001 HE1 HIS 120 HE1 HIS 120 -16.686 -18.189 2.141 1002 HE2 HIS 120 HE2 HIS 120 -18.712 -16.738 1.776 1003 H LYS 121 H LYS 121 -20.561 -19.361 3.959 1004 HA LYS 121 HA LYS 121 -22.620 -19.434 2.996 1005 HB2 LYS 121 HB2 LYS 121 -23.196 -21.355 5.260 1006 HB3 LYS 121 HB3 LYS 121 -24.209 -21.129 3.840 1007 HG2 LYS 121 HG2 LYS 121 -22.048 -21.731 2.527 1008 HG3 LYS 121 HG3 LYS 121 -21.531 -22.424 4.067 1009 HD2 LYS 121 HD2 LYS 121 -24.259 -23.140 3.249 1010 HD3 LYS 121 HD3 LYS 121 -22.987 -23.741 2.184 1011 HE2 LYS 121 HE2 LYS 121 -22.174 -25.167 3.738 1012 HE3 LYS 121 HE3 LYS 121 -22.503 -24.063 5.073 1013 HZ1 LYS 121 HZ1 LYS 121 -24.472 -25.797 3.684 1014 HZ2 LYS 121 HZ2 LYS 121 -24.873 -24.652 4.863 1015 HZ3 LYS 121 HZ3 LYS 121 -23.904 -25.977 5.268 1016 H LYS 122 H LYS 122 -24.879 -18.771 3.245 1017 HA LYS 122 HA LYS 122 -25.702 -17.612 5.751 1018 HB2 LYS 122 HB2 LYS 122 -25.065 -15.835 3.391 1019 HB3 LYS 122 HB3 LYS 122 -25.957 -15.317 4.815 1020 HG2 LYS 122 HG2 LYS 122 -23.961 -15.912 6.189 1021 HG3 LYS 122 HG3 LYS 122 -23.088 -16.209 4.684 1022 HD2 LYS 122 HD2 LYS 122 -24.492 -13.618 4.891 1023 HD3 LYS 122 HD3 LYS 122 -23.100 -13.836 5.953 1024 HE2 LYS 122 HE2 LYS 122 -22.307 -12.848 3.938 1025 HE3 LYS 122 HE3 LYS 122 -21.786 -14.533 3.938 1026 HZ1 LYS 122 HZ1 LYS 122 -24.271 -13.681 2.580 1027 HZ2 LYS 122 HZ2 LYS 122 -23.376 -15.098 2.347 1028 HZ3 LYS 122 HZ3 LYS 122 -22.770 -13.615 1.802 1029 HA PRO 123 HA PRO 123 -29.185 -19.058 3.108 1030 HB2 PRO 123 HB2 PRO 123 -30.615 -20.135 5.142 1031 HB3 PRO 123 HB3 PRO 123 -29.309 -21.005 4.329 1032 HG2 PRO 123 HG2 PRO 123 -29.265 -19.523 6.931 1033 HG3 PRO 123 HG3 PRO 123 -28.555 -21.097 6.528 1034 HD2 PRO 123 HD2 PRO 123 -27.096 -18.813 6.627 1035 HD3 PRO 123 HD3 PRO 123 -26.711 -20.150 5.524 1036 H ARG 124 H ARG 124 -30.162 -17.158 2.580 1037 HA ARG 124 HA ARG 124 -31.607 -15.405 2.681 1038 HB2 ARG 124 HB2 ARG 124 -32.659 -16.845 5.123 1039 HB3 ARG 124 HB3 ARG 124 -33.483 -15.550 4.266 1040 HG2 ARG 124 HG2 ARG 124 -34.050 -16.888 2.501 1041 HG3 ARG 124 HG3 ARG 124 -32.684 -17.977 2.746 1042 HD2 ARG 124 HD2 ARG 124 -33.741 -18.992 4.632 1043 HD3 ARG 124 HD3 ARG 124 -35.020 -17.779 4.636 1044 HE ARG 124 HE ARG 124 -34.853 -20.119 2.977 1045 HH11 ARG 124 HH11 ARG 124 -36.206 -16.917 3.277 1046 HH12 ARG 124 HH12 ARG 124 -37.536 -17.243 2.218 1047 HH21 ARG 124 HH21 ARG 124 -36.602 -20.551 1.583 1048 HH22 ARG 124 HH22 ARG 124 -37.761 -19.307 1.256 1049 H ILE 125 H ILE 125 -32.292 -13.510 4.054 1050 HA ILE 125 HA ILE 125 -30.059 -12.351 5.278 1051 HB ILE 125 HB ILE 125 -31.741 -10.640 6.104 1052 HG12 ILE 125 HG12 ILE 125 -33.837 -11.371 4.306 1053 HG13 ILE 125 HG13 ILE 125 -33.545 -12.722 5.397 1054 HG21 ILE 125 HG21 ILE 125 -31.153 -11.358 3.297 1055 HG22 ILE 125 HG22 ILE 125 -30.732 -9.908 4.210 1056 HG23 ILE 125 HG23 ILE 125 -32.365 -10.108 3.575 1057 HD11 ILE 125 HD11 ILE 125 -33.840 -9.959 6.482 1058 HD12 ILE 125 HD12 ILE 125 -34.140 -11.511 7.265 1059 HD13 ILE 125 HD13 ILE 125 -35.260 -10.909 6.044 1060 H ASP 126 H ASP 126 -29.565 -11.904 7.419 1061 HA ASP 126 HA ASP 126 -31.254 -12.948 9.535 1062 HB2 ASP 126 HB2 ASP 126 -29.065 -14.467 8.518 1063 HB3 ASP 126 HB3 ASP 126 -28.631 -13.903 10.129 1064 H ASP 127 H ASP 127 -30.309 -10.330 8.697 1065 HA ASP 127 HA ASP 127 -28.325 -9.545 10.656 1066 HB2 ASP 127 HB2 ASP 127 -29.678 -8.267 8.349 1067 HB3 ASP 127 HB3 ASP 127 -29.191 -7.194 9.657 1068 H SER 128 H SER 128 -28.788 -8.981 12.669 1069 HA SER 128 HA SER 128 -31.520 -8.056 13.278 1070 HB2 SER 128 HB2 SER 128 -29.608 -9.631 15.019 1071 HB3 SER 128 HB3 SER 128 -31.158 -8.989 15.560 1072 HG SER 128 HG SER 128 -30.860 -10.768 13.372 1073 H SER 129 H SER 129 -28.424 -8.019 15.034 1074 HA SER 129 HA SER 129 -27.287 -6.351 16.081 1075 HB2 SER 129 HB2 SER 129 -28.624 -4.583 14.019 1076 HB3 SER 129 HB3 SER 129 -27.217 -4.156 14.992 1077 HG SER 129 HG SER 129 -26.284 -4.899 13.212 1078 H ASP 130 H ASP 130 -28.027 -6.107 18.099 1079 HA ASP 130 HA ASP 130 -30.463 -4.501 18.502 1080 HB2 ASP 130 HB2 ASP 130 -29.254 -6.750 20.094 1081 HB3 ASP 130 HB3 ASP 130 -30.387 -5.622 20.831 1082 H LEU 131 H LEU 131 -27.585 -5.332 20.439 1083 HA LEU 131 HA LEU 131 -26.649 -2.654 20.575 1084 HB2 LEU 131 HB2 LEU 131 -28.776 -3.141 22.256 1085 HB3 LEU 131 HB3 LEU 131 -27.396 -3.413 23.301 1086 HG LEU 131 HG LEU 131 -26.598 -1.096 22.336 1087 HD11 LEU 131 HD11 LEU 131 -29.560 -1.109 21.832 1088 HD12 LEU 131 HD12 LEU 131 -28.259 -0.681 20.720 1089 HD13 LEU 131 HD13 LEU 131 -28.643 0.378 22.077 1090 HD21 LEU 131 HD21 LEU 131 -28.836 -0.836 24.265 1091 HD22 LEU 131 HD22 LEU 131 -27.196 -0.194 24.339 1092 HD23 LEU 131 HD23 LEU 131 -27.494 -1.893 24.701 1093 H LEU 132 H LEU 132 -24.926 -2.458 22.364 1094 HA LEU 132 HA LEU 132 -23.012 -4.463 21.976 1095 HB2 LEU 132 HB2 LEU 132 -22.739 -2.000 22.720 1096 HB3 LEU 132 HB3 LEU 132 -22.974 -2.620 24.343 1097 HG LEU 132 HG LEU 132 -21.035 -4.233 23.788 1098 HD11 LEU 132 HD11 LEU 132 -19.471 -2.789 22.171 1099 HD12 LEU 132 HD12 LEU 132 -21.039 -2.421 21.453 1100 HD13 LEU 132 HD13 LEU 132 -20.504 -4.096 21.593 1101 HD21 LEU 132 HD21 LEU 132 -19.626 -2.834 24.897 1102 HD22 LEU 132 HD22 LEU 132 -21.141 -1.974 25.177 1103 HD23 LEU 132 HD23 LEU 132 -20.045 -1.440 23.902 1104 H LYS 133 H LYS 133 -22.395 -6.224 23.125 1105 HA LYS 133 HA LYS 133 -24.284 -7.391 24.911 1106 HB2 LYS 133 HB2 LYS 133 -22.514 -8.468 23.255 1107 HB3 LYS 133 HB3 LYS 133 -21.506 -8.454 24.694 1108 HG2 LYS 133 HG2 LYS 133 -24.172 -9.509 25.189 1109 HG3 LYS 133 HG3 LYS 133 -23.273 -10.426 23.978 1110 HD2 LYS 133 HD2 LYS 133 -21.916 -9.649 26.520 1111 HD3 LYS 133 HD3 LYS 133 -23.055 -10.998 26.530 1112 HE2 LYS 133 HE2 LYS 133 -21.110 -12.110 26.061 1113 HE3 LYS 133 HE3 LYS 133 -21.669 -11.754 24.428 1114 HZ1 LYS 133 HZ1 LYS 133 -19.293 -11.253 24.809 1115 HZ2 LYS 133 HZ2 LYS 133 -19.743 -10.067 25.928 1116 HZ3 LYS 133 HZ3 LYS 133 -20.184 -9.906 24.304 1117 H THR 134 H THR 134 -24.131 -5.409 26.370 1118 HA THR 134 HA THR 134 -22.206 -6.008 28.510 1119 HB THR 134 HB THR 134 -22.989 -3.169 28.143 1120 HG1 THR 134 HG1 THR 134 -21.214 -4.534 26.414 1121 HG21 THR 134 HG21 THR 134 -20.611 -2.798 28.708 1122 HG22 THR 134 HG22 THR 134 -20.414 -4.545 28.859 1123 HG23 THR 134 HG23 THR 134 -21.504 -3.682 29.945 1124 H ASP 135 H ASP 135 -22.909 -5.489 30.632 1125 HA ASP 135 HA ASP 135 -24.420 -5.411 32.329 1126 HB2 ASP 135 HB2 ASP 135 -25.867 -3.672 30.325 1127 HB3 ASP 135 HB3 ASP 135 -26.421 -3.907 31.980 1128 H GLU 136 H GLU 136 -26.596 -6.129 33.018 1129 HA GLU 136 HA GLU 136 -27.738 -8.065 31.112 1130 HB2 GLU 136 HB2 GLU 136 -27.113 -8.328 34.034 1131 HB3 GLU 136 HB3 GLU 136 -28.388 -9.300 33.312 1132 HG2 GLU 136 HG2 GLU 136 -26.808 -10.260 31.747 1133 HG3 GLU 136 HG3 GLU 136 -25.522 -9.243 32.394 1134 H ILE 137 H ILE 137 -30.007 -8.561 31.402 1135 HA ILE 137 HA ILE 137 -31.519 -6.457 32.797 1136 HB ILE 137 HB ILE 137 -33.188 -6.584 30.897 1137 HG12 ILE 137 HG12 ILE 137 -32.048 -7.211 28.677 1138 HG13 ILE 137 HG13 ILE 137 -30.869 -8.065 29.667 1139 HG21 ILE 137 HG21 ILE 137 -32.153 -4.579 30.811 1140 HG22 ILE 137 HG22 ILE 137 -31.433 -5.262 29.354 1141 HG23 ILE 137 HG23 ILE 137 -30.539 -5.287 30.875 1142 HD11 ILE 137 HD11 ILE 137 -33.634 -8.710 30.327 1143 HD12 ILE 137 HD12 ILE 137 -32.255 -9.770 30.037 1144 HD13 ILE 137 HD13 ILE 137 -33.174 -9.123 28.675 Start of MODEL 14 1 H1 GLY -2 H1 GLY -2 -2.041 13.117 -21.179 2 H2 GLY -2 H2 GLY -2 -2.446 11.621 -21.854 3 H3 GLY -2 H3 GLY -2 -1.319 11.702 -20.596 4 HA2 GLY -2 HA2 GLY -2 -3.163 12.692 -19.195 5 HA3 GLY -2 HA3 GLY -2 -4.241 12.144 -20.470 6 H HIS -1 H HIS -1 -2.632 11.302 -17.627 7 HA HIS -1 HA HIS -1 -3.415 8.488 -17.995 8 HB2 HIS -1 HB2 HIS -1 -1.037 9.369 -16.358 9 HB3 HIS -1 HB3 HIS -1 -1.482 7.729 -16.818 10 HD1 HIS -1 HD1 HIS -1 -1.889 8.110 -19.836 11 HD2 HIS -1 HD2 HIS -1 1.303 9.699 -17.703 12 HE1 HIS -1 HE1 HIS -1 -0.069 8.484 -21.530 13 HE2 HIS -1 HE2 HIS -1 1.822 9.527 -20.231 14 H MET 0 H MET 0 -4.975 10.594 -16.862 15 HA MET 0 HA MET 0 -4.845 10.648 -14.045 16 HB2 MET 0 HB2 MET 0 -6.128 12.211 -15.627 17 HB3 MET 0 HB3 MET 0 -7.383 10.978 -15.634 18 HG2 MET 0 HG2 MET 0 -7.925 11.321 -13.422 19 HG3 MET 0 HG3 MET 0 -6.357 12.031 -13.040 20 HE1 MET 0 HE1 MET 0 -6.339 13.980 -12.187 21 HE2 MET 0 HE2 MET 0 -8.003 14.354 -11.742 22 HE3 MET 0 HE3 MET 0 -7.078 15.488 -12.727 23 H MET 1 H MET 1 -6.220 9.635 -12.500 24 HA MET 1 HA MET 1 -7.555 7.181 -13.392 25 HB2 MET 1 HB2 MET 1 -5.102 6.957 -12.388 26 HB3 MET 1 HB3 MET 1 -5.979 7.056 -10.868 27 HG2 MET 1 HG2 MET 1 -5.962 4.805 -11.171 28 HG3 MET 1 HG3 MET 1 -7.474 5.208 -11.982 29 HE1 MET 1 HE1 MET 1 -3.674 3.508 -13.817 30 HE2 MET 1 HE2 MET 1 -4.383 3.138 -12.245 31 HE3 MET 1 HE3 MET 1 -3.632 4.710 -12.528 32 H SER 2 H SER 2 -9.122 6.349 -11.890 33 HA SER 2 HA SER 2 -10.124 8.420 -10.047 34 HB2 SER 2 HB2 SER 2 -12.379 7.342 -10.433 35 HB3 SER 2 HB3 SER 2 -11.690 8.154 -11.839 36 HG SER 2 HG SER 2 -12.588 5.815 -11.911 37 H LYS 3 H LYS 3 -9.049 7.679 -8.222 38 HA LYS 3 HA LYS 3 -8.772 6.474 -6.314 39 HB2 LYS 3 HB2 LYS 3 -11.462 5.597 -7.256 40 HB3 LYS 3 HB3 LYS 3 -10.706 4.693 -5.951 41 HG2 LYS 3 HG2 LYS 3 -10.541 6.699 -4.610 42 HG3 LYS 3 HG3 LYS 3 -11.200 7.663 -5.934 43 HD2 LYS 3 HD2 LYS 3 -13.317 6.578 -5.773 44 HD3 LYS 3 HD3 LYS 3 -12.678 5.367 -4.660 45 HE2 LYS 3 HE2 LYS 3 -14.050 7.165 -3.584 46 HE3 LYS 3 HE3 LYS 3 -12.425 6.979 -2.926 47 HZ1 LYS 3 HZ1 LYS 3 -12.709 8.895 -5.092 48 HZ2 LYS 3 HZ2 LYS 3 -11.800 8.996 -3.668 49 HZ3 LYS 3 HZ3 LYS 3 -13.460 9.319 -3.638 50 H LEU 4 H LEU 4 -7.836 4.562 -5.575 51 HA LEU 4 HA LEU 4 -7.717 2.269 -7.361 52 HB2 LEU 4 HB2 LEU 4 -5.371 4.002 -6.670 53 HB3 LEU 4 HB3 LEU 4 -5.146 2.293 -6.991 54 HG LEU 4 HG LEU 4 -6.607 3.966 -8.991 55 HD11 LEU 4 HD11 LEU 4 -4.748 5.343 -8.775 56 HD12 LEU 4 HD12 LEU 4 -4.292 4.244 -10.076 57 HD13 LEU 4 HD13 LEU 4 -3.662 3.991 -8.448 58 HD21 LEU 4 HD21 LEU 4 -4.766 1.586 -9.201 59 HD22 LEU 4 HD22 LEU 4 -5.615 2.358 -10.541 60 HD23 LEU 4 HD23 LEU 4 -6.527 1.543 -9.270 61 H PHE 5 H PHE 5 -5.603 3.278 -4.716 62 HA PHE 5 HA PHE 5 -5.940 0.781 -3.358 63 HB2 PHE 5 HB2 PHE 5 -4.606 2.048 -1.528 64 HB3 PHE 5 HB3 PHE 5 -3.812 1.693 -3.059 65 HD1 PHE 5 HD1 PHE 5 -5.756 4.377 -1.360 66 HD2 PHE 5 HD2 PHE 5 -2.744 3.388 -4.200 67 HE1 PHE 5 HE1 PHE 5 -5.250 6.765 -1.650 68 HE2 PHE 5 HE2 PHE 5 -2.233 5.774 -4.495 69 HZ PHE 5 HZ PHE 5 -3.488 7.465 -3.220 70 H LEU 6 H LEU 6 -7.726 3.658 -3.400 71 HA LEU 6 HA LEU 6 -8.660 3.553 -0.684 72 HB2 LEU 6 HB2 LEU 6 -9.393 5.144 -3.114 73 HB3 LEU 6 HB3 LEU 6 -10.434 5.163 -1.704 74 HG LEU 6 HG LEU 6 -7.719 5.656 -0.897 75 HD11 LEU 6 HD11 LEU 6 -7.111 6.584 -2.922 76 HD12 LEU 6 HD12 LEU 6 -7.714 7.985 -2.036 77 HD13 LEU 6 HD13 LEU 6 -8.731 7.202 -3.245 78 HD21 LEU 6 HD21 LEU 6 -9.711 7.825 -0.845 79 HD22 LEU 6 HD22 LEU 6 -8.719 7.158 0.452 80 HD23 LEU 6 HD23 LEU 6 -10.190 6.325 -0.051 81 H ASP 7 H ASP 7 -9.680 2.301 -3.780 82 HA ASP 7 HA ASP 7 -12.345 1.694 -3.193 83 HB2 ASP 7 HB2 ASP 7 -10.841 1.461 -5.403 84 HB3 ASP 7 HB3 ASP 7 -10.821 -0.221 -4.878 85 H GLU 8 H GLU 8 -9.382 -0.157 -2.639 86 HA GLU 8 HA GLU 8 -10.684 -2.483 -1.661 87 HB2 GLU 8 HB2 GLU 8 -8.490 -3.202 -0.939 88 HB3 GLU 8 HB3 GLU 8 -8.363 -2.467 -2.531 89 HG2 GLU 8 HG2 GLU 8 -6.849 -1.046 -1.790 90 HG3 GLU 8 HG3 GLU 8 -7.965 -0.450 -0.563 91 H LEU 9 H LEU 9 -9.697 0.523 -0.209 92 HA LEU 9 HA LEU 9 -9.954 -0.423 2.501 93 HB2 LEU 9 HB2 LEU 9 -9.553 2.295 1.274 94 HB3 LEU 9 HB3 LEU 9 -9.803 2.083 2.995 95 HG LEU 9 HG LEU 9 -7.592 0.647 1.555 96 HD11 LEU 9 HD11 LEU 9 -7.723 3.335 1.488 97 HD12 LEU 9 HD12 LEU 9 -6.214 2.426 1.580 98 HD13 LEU 9 HD13 LEU 9 -6.929 3.097 3.046 99 HD21 LEU 9 HD21 LEU 9 -6.632 0.438 3.722 100 HD22 LEU 9 HD22 LEU 9 -8.323 -0.046 3.852 101 HD23 LEU 9 HD23 LEU 9 -7.815 1.545 4.420 102 HA PRO 10 HA PRO 10 -14.247 0.204 3.228 103 HB2 PRO 10 HB2 PRO 10 -14.237 1.550 5.627 104 HB3 PRO 10 HB3 PRO 10 -14.002 -0.191 5.464 105 HG2 PRO 10 HG2 PRO 10 -11.965 1.972 5.795 106 HG3 PRO 10 HG3 PRO 10 -12.025 0.365 6.541 107 HD2 PRO 10 HD2 PRO 10 -10.412 0.891 4.459 108 HD3 PRO 10 HD3 PRO 10 -11.210 -0.685 4.643 109 H GLU 11 H GLU 11 -15.667 2.177 4.380 110 HA GLU 11 HA GLU 11 -15.212 4.427 2.560 111 HB2 GLU 11 HB2 GLU 11 -17.456 3.016 2.912 112 HB3 GLU 11 HB3 GLU 11 -17.703 4.220 4.170 113 HG2 GLU 11 HG2 GLU 11 -18.383 5.693 2.673 114 HG3 GLU 11 HG3 GLU 11 -16.862 5.544 1.793 115 H SER 12 H SER 12 -15.829 3.700 5.966 116 HA SER 12 HA SER 12 -15.926 6.326 6.923 117 HB2 SER 12 HB2 SER 12 -16.560 4.280 8.220 118 HB3 SER 12 HB3 SER 12 -14.844 3.918 8.401 119 HG SER 12 HG SER 12 -14.729 6.123 9.339 120 H LEU 13 H LEU 13 -13.167 4.100 6.652 121 HA LEU 13 HA LEU 13 -11.273 5.989 7.633 122 HB2 LEU 13 HB2 LEU 13 -11.280 3.275 7.154 123 HB3 LEU 13 HB3 LEU 13 -10.212 3.883 5.902 124 HG LEU 13 HG LEU 13 -9.847 4.574 8.810 125 HD11 LEU 13 HD11 LEU 13 -8.617 2.712 9.202 126 HD12 LEU 13 HD12 LEU 13 -8.117 2.551 7.518 127 HD13 LEU 13 HD13 LEU 13 -9.731 2.038 8.013 128 HD21 LEU 13 HD21 LEU 13 -7.857 5.512 8.202 129 HD22 LEU 13 HD22 LEU 13 -8.792 5.830 6.741 130 HD23 LEU 13 HD23 LEU 13 -7.669 4.471 6.790 131 H SER 14 H SER 14 -12.176 4.869 4.391 132 HA SER 14 HA SER 14 -10.272 6.273 2.921 133 HB2 SER 14 HB2 SER 14 -13.008 5.221 2.313 134 HB3 SER 14 HB3 SER 14 -12.201 6.248 1.130 135 HG SER 14 HG SER 14 -11.380 4.373 0.567 136 H ARG 15 H ARG 15 -13.139 7.392 4.518 137 HA ARG 15 HA ARG 15 -13.433 9.823 3.065 138 HB2 ARG 15 HB2 ARG 15 -14.560 8.675 5.569 139 HB3 ARG 15 HB3 ARG 15 -14.671 10.416 5.348 140 HG2 ARG 15 HG2 ARG 15 -15.946 10.170 3.363 141 HG3 ARG 15 HG3 ARG 15 -15.634 8.434 3.304 142 HD2 ARG 15 HD2 ARG 15 -16.885 8.164 5.410 143 HD3 ARG 15 HD3 ARG 15 -17.235 9.894 5.405 144 HE ARG 15 HE ARG 15 -18.520 7.860 3.839 145 HH11 ARG 15 HH11 ARG 15 -17.733 11.256 4.004 146 HH12 ARG 15 HH12 ARG 15 -19.041 11.737 2.978 147 HH21 ARG 15 HH21 ARG 15 -20.241 8.491 2.488 148 HH22 ARG 15 HH22 ARG 15 -20.466 10.167 2.115 149 H LYS 16 H LYS 16 -11.817 8.944 6.089 150 HA LYS 16 HA LYS 16 -11.024 11.619 6.701 151 HB2 LYS 16 HB2 LYS 16 -9.658 10.601 8.453 152 HB3 LYS 16 HB3 LYS 16 -11.281 9.929 8.454 153 HG2 LYS 16 HG2 LYS 16 -10.578 7.879 7.669 154 HG3 LYS 16 HG3 LYS 16 -9.102 8.539 6.965 155 HD2 LYS 16 HD2 LYS 16 -8.113 7.671 8.788 156 HD3 LYS 16 HD3 LYS 16 -8.736 9.114 9.594 157 HE2 LYS 16 HE2 LYS 16 -10.690 7.902 10.335 158 HE3 LYS 16 HE3 LYS 16 -10.184 6.474 9.433 159 HZ1 LYS 16 HZ1 LYS 16 -8.280 7.526 11.366 160 HZ2 LYS 16 HZ2 LYS 16 -8.662 5.922 10.982 161 HZ3 LYS 16 HZ3 LYS 16 -9.673 6.813 12.006 162 H ILE 17 H ILE 17 -9.692 9.040 4.793 163 HA ILE 17 HA ILE 17 -7.027 10.123 4.709 164 HB ILE 17 HB ILE 17 -8.274 8.076 2.870 165 HG12 ILE 17 HG12 ILE 17 -6.489 7.432 5.198 166 HG13 ILE 17 HG13 ILE 17 -8.221 7.630 5.438 167 HG21 ILE 17 HG21 ILE 17 -6.359 8.511 1.759 168 HG22 ILE 17 HG22 ILE 17 -5.657 7.457 2.986 169 HG23 ILE 17 HG23 ILE 17 -5.570 9.208 3.173 170 HD11 ILE 17 HD11 ILE 17 -7.222 5.277 5.010 171 HD12 ILE 17 HD12 ILE 17 -7.228 5.783 3.321 172 HD13 ILE 17 HD13 ILE 17 -8.737 5.742 4.234 173 H GLY 18 H GLY 18 -9.952 10.386 2.812 174 HA2 GLY 18 HA2 GLY 18 -8.762 11.515 0.488 175 HA3 GLY 18 HA3 GLY 18 -10.462 11.595 0.922 176 H THR 19 H THR 19 -9.736 12.848 3.549 177 HA THR 19 HA THR 19 -9.797 15.569 2.613 178 HB THR 19 HB THR 19 -11.204 14.953 4.482 179 HG1 THR 19 HG1 THR 19 -10.770 16.691 5.669 180 HG21 THR 19 HG21 THR 19 -10.036 14.573 6.731 181 HG22 THR 19 HG22 THR 19 -8.654 14.066 5.761 182 HG23 THR 19 HG23 THR 19 -10.189 13.212 5.620 183 H VAL 20 H VAL 20 -7.490 13.460 4.219 184 HA VAL 20 HA VAL 20 -5.588 15.570 4.695 185 HB VAL 20 HB VAL 20 -5.702 13.613 6.185 186 HG11 VAL 20 HG11 VAL 20 -6.235 11.940 4.445 187 HG12 VAL 20 HG12 VAL 20 -4.901 11.446 5.489 188 HG13 VAL 20 HG13 VAL 20 -4.573 12.052 3.865 189 HG21 VAL 20 HG21 VAL 20 -3.358 13.328 6.472 190 HG22 VAL 20 HG22 VAL 20 -3.611 14.964 5.864 191 HG23 VAL 20 HG23 VAL 20 -3.042 13.698 4.776 192 H VAL 21 H VAL 21 -5.917 12.883 2.408 193 HA VAL 21 HA VAL 21 -3.476 13.212 1.073 194 HB VAL 21 HB VAL 21 -6.108 12.169 0.011 195 HG11 VAL 21 HG11 VAL 21 -3.343 12.134 -1.163 196 HG12 VAL 21 HG12 VAL 21 -4.843 12.696 -1.900 197 HG13 VAL 21 HG13 VAL 21 -4.584 10.972 -1.634 198 HG21 VAL 21 HG21 VAL 21 -5.530 10.097 0.775 199 HG22 VAL 21 HG22 VAL 21 -4.759 11.088 2.014 200 HG23 VAL 21 HG23 VAL 21 -3.801 10.425 0.691 201 H ARG 22 H ARG 22 -6.504 14.925 0.818 202 HA ARG 22 HA ARG 22 -6.258 16.115 -1.678 203 HB2 ARG 22 HB2 ARG 22 -8.279 16.279 -0.312 204 HB3 ARG 22 HB3 ARG 22 -7.427 17.281 0.855 205 HG2 ARG 22 HG2 ARG 22 -7.020 18.811 -1.241 206 HG3 ARG 22 HG3 ARG 22 -8.442 17.965 -1.854 207 HD2 ARG 22 HD2 ARG 22 -9.371 19.802 -0.796 208 HD3 ARG 22 HD3 ARG 22 -9.481 18.552 0.443 209 HE ARG 22 HE ARG 22 -8.134 19.839 1.744 210 HH11 ARG 22 HH11 ARG 22 -7.552 20.700 -1.587 211 HH12 ARG 22 HH12 ARG 22 -6.433 21.962 -1.195 212 HH21 ARG 22 HH21 ARG 22 -6.662 21.498 2.261 213 HH22 ARG 22 HH22 ARG 22 -5.926 22.416 0.989 214 H VAL 23 H VAL 23 -4.720 16.922 1.366 215 HA VAL 23 HA VAL 23 -3.627 19.408 0.406 216 HB VAL 23 HB VAL 23 -2.839 17.842 2.866 217 HG11 VAL 23 HG11 VAL 23 -1.281 19.637 2.038 218 HG12 VAL 23 HG12 VAL 23 -1.893 19.862 3.678 219 HG13 VAL 23 HG13 VAL 23 -2.576 20.796 2.346 220 HG21 VAL 23 HG21 VAL 23 -4.357 19.526 4.013 221 HG22 VAL 23 HG22 VAL 23 -5.149 18.242 3.101 222 HG23 VAL 23 HG23 VAL 23 -5.021 19.861 2.414 223 H LEU 24 H LEU 24 -2.285 16.207 1.216 224 HA LEU 24 HA LEU 24 0.092 16.893 -0.385 225 HB2 LEU 24 HB2 LEU 24 -0.241 15.643 2.225 226 HB3 LEU 24 HB3 LEU 24 0.769 14.695 1.151 227 HG LEU 24 HG LEU 24 2.010 16.290 2.620 228 HD11 LEU 24 HD11 LEU 24 2.406 15.657 -0.070 229 HD12 LEU 24 HD12 LEU 24 3.612 16.220 1.086 230 HD13 LEU 24 HD13 LEU 24 2.761 17.378 0.065 231 HD21 LEU 24 HD21 LEU 24 1.887 18.604 2.333 232 HD22 LEU 24 HD22 LEU 24 0.202 18.084 2.326 233 HD23 LEU 24 HD23 LEU 24 1.015 18.461 0.807 234 HA PRO 25 HA PRO 25 -2.172 13.389 -2.508 235 HB2 PRO 25 HB2 PRO 25 -2.250 14.533 -4.964 236 HB3 PRO 25 HB3 PRO 25 -3.503 14.802 -3.746 237 HG2 PRO 25 HG2 PRO 25 -1.181 16.539 -4.488 238 HG3 PRO 25 HG3 PRO 25 -2.862 16.999 -4.166 239 HD2 PRO 25 HD2 PRO 25 -0.893 17.280 -2.326 240 HD3 PRO 25 HD3 PRO 25 -2.576 16.931 -1.881 241 H SER 26 H SER 26 0.741 15.157 -2.830 242 HA SER 26 HA SER 26 1.864 13.325 -4.804 243 HB2 SER 26 HB2 SER 26 2.231 15.990 -4.481 244 HB3 SER 26 HB3 SER 26 3.598 15.373 -3.552 245 HG SER 26 HG SER 26 2.997 14.540 -6.194 246 H SER 27 H SER 27 2.267 14.276 -1.414 247 HA SER 27 HA SER 27 4.523 12.630 -0.912 248 HB2 SER 27 HB2 SER 27 4.164 14.326 0.680 249 HB3 SER 27 HB3 SER 27 2.460 13.917 0.862 250 HG SER 27 HG SER 27 3.665 13.165 2.630 251 H LEU 28 H LEU 28 1.082 12.069 -0.907 252 HA LEU 28 HA LEU 28 0.925 9.701 0.531 253 HB2 LEU 28 HB2 LEU 28 -1.176 10.343 0.052 254 HB3 LEU 28 HB3 LEU 28 -0.701 11.121 -1.442 255 HG LEU 28 HG LEU 28 -0.638 8.803 -2.482 256 HD11 LEU 28 HD11 LEU 28 -0.815 7.899 0.054 257 HD12 LEU 28 HD12 LEU 28 -1.296 6.966 -1.363 258 HD13 LEU 28 HD13 LEU 28 -2.510 7.840 -0.429 259 HD21 LEU 28 HD21 LEU 28 -2.636 10.633 -2.244 260 HD22 LEU 28 HD22 LEU 28 -3.421 9.168 -1.656 261 HD23 LEU 28 HD23 LEU 28 -2.696 9.199 -3.265 262 H GLU 29 H GLU 29 1.676 10.209 -2.896 263 HA GLU 29 HA GLU 29 1.713 7.594 -3.783 264 HB2 GLU 29 HB2 GLU 29 3.165 10.075 -4.578 265 HB3 GLU 29 HB3 GLU 29 3.705 8.547 -5.259 266 HG2 GLU 29 HG2 GLU 29 1.181 8.230 -5.822 267 HG3 GLU 29 HG3 GLU 29 1.123 9.982 -5.638 268 H ILE 30 H ILE 30 4.033 9.288 -1.805 269 HA ILE 30 HA ILE 30 6.192 7.481 -2.087 270 HB ILE 30 HB ILE 30 5.597 9.172 0.340 271 HG12 ILE 30 HG12 ILE 30 5.478 10.610 -1.609 272 HG13 ILE 30 HG13 ILE 30 6.995 10.910 -0.764 273 HG21 ILE 30 HG21 ILE 30 7.386 7.463 0.527 274 HG22 ILE 30 HG22 ILE 30 7.970 9.118 0.711 275 HG23 ILE 30 HG23 ILE 30 8.230 8.253 -0.804 276 HD11 ILE 30 HD11 ILE 30 6.697 9.178 -3.205 277 HD12 ILE 30 HD12 ILE 30 8.202 9.610 -2.395 278 HD13 ILE 30 HD13 ILE 30 7.248 10.852 -3.204 279 H PHE 31 H PHE 31 3.519 7.708 0.220 280 HA PHE 31 HA PHE 31 4.380 5.430 1.739 281 HB2 PHE 31 HB2 PHE 31 1.679 6.790 1.734 282 HB3 PHE 31 HB3 PHE 31 2.305 5.704 2.971 283 HD1 PHE 31 HD1 PHE 31 4.756 6.514 3.834 284 HD2 PHE 31 HD2 PHE 31 1.674 9.007 2.284 285 HE1 PHE 31 HE1 PHE 31 5.707 8.435 5.041 286 HE2 PHE 31 HE2 PHE 31 2.621 10.933 3.487 287 HZ PHE 31 HZ PHE 31 4.640 10.648 4.868 288 H GLU 32 H GLU 32 2.223 6.017 -0.948 289 HA GLU 32 HA GLU 32 0.721 3.662 -0.889 290 HB2 GLU 32 HB2 GLU 32 0.200 5.554 -2.365 291 HB3 GLU 32 HB3 GLU 32 1.657 5.238 -3.296 292 HG2 GLU 32 HG2 GLU 32 0.630 2.897 -3.664 293 HG3 GLU 32 HG3 GLU 32 -0.877 3.663 -3.167 294 H GLU 33 H GLU 33 3.776 4.355 -2.576 295 HA GLU 33 HA GLU 33 4.089 1.691 -3.544 296 HB2 GLU 33 HB2 GLU 33 5.725 4.169 -3.499 297 HB3 GLU 33 HB3 GLU 33 6.596 2.650 -3.669 298 HG2 GLU 33 HG2 GLU 33 4.724 2.247 -5.513 299 HG3 GLU 33 HG3 GLU 33 4.759 4.008 -5.545 300 H LEU 34 H LEU 34 4.791 3.297 -0.577 301 HA LEU 34 HA LEU 34 6.847 1.598 0.375 302 HB2 LEU 34 HB2 LEU 34 5.994 3.920 1.224 303 HB3 LEU 34 HB3 LEU 34 4.891 2.958 2.190 304 HG LEU 34 HG LEU 34 7.906 2.891 2.300 305 HD11 LEU 34 HD11 LEU 34 7.480 4.666 3.616 306 HD12 LEU 34 HD12 LEU 34 7.046 3.431 4.797 307 HD13 LEU 34 HD13 LEU 34 5.788 4.225 3.848 308 HD21 LEU 34 HD21 LEU 34 5.820 1.108 3.488 309 HD22 LEU 34 HD22 LEU 34 7.332 1.404 4.348 310 HD23 LEU 34 HD23 LEU 34 7.361 0.686 2.737 311 H TYR 35 H TYR 35 3.330 1.644 0.961 312 HA TYR 35 HA TYR 35 3.328 -0.669 2.587 313 HB2 TYR 35 HB2 TYR 35 1.004 -0.489 2.622 314 HB3 TYR 35 HB3 TYR 35 1.512 1.168 2.328 315 HD1 TYR 35 HD1 TYR 35 0.367 -1.897 0.532 316 HD2 TYR 35 HD2 TYR 35 0.615 2.350 0.544 317 HE1 TYR 35 HE1 TYR 35 -1.067 -1.814 -1.461 318 HE2 TYR 35 HE2 TYR 35 -0.822 2.445 -1.449 319 HH TYR 35 HH TYR 35 -1.456 0.976 -3.334 320 H LYS 36 H LYS 36 2.978 -0.166 -0.872 321 HA LYS 36 HA LYS 36 2.122 -2.748 -1.574 322 HB2 LYS 36 HB2 LYS 36 3.280 -0.422 -2.966 323 HB3 LYS 36 HB3 LYS 36 3.581 -1.969 -3.745 324 HG2 LYS 36 HG2 LYS 36 0.858 -0.953 -2.961 325 HG3 LYS 36 HG3 LYS 36 1.560 -0.821 -4.575 326 HD2 LYS 36 HD2 LYS 36 1.890 -3.464 -4.098 327 HD3 LYS 36 HD3 LYS 36 0.407 -3.151 -3.191 328 HE2 LYS 36 HE2 LYS 36 -0.808 -2.833 -5.054 329 HE3 LYS 36 HE3 LYS 36 0.479 -1.936 -5.858 330 HZ1 LYS 36 HZ1 LYS 36 1.513 -4.374 -5.892 331 HZ2 LYS 36 HZ2 LYS 36 0.527 -3.778 -7.130 332 HZ3 LYS 36 HZ3 LYS 36 -0.128 -4.778 -5.934 333 H TYR 37 H TYR 37 5.373 -1.346 -1.341 334 HA TYR 37 HA TYR 37 6.786 -3.634 -2.170 335 HB2 TYR 37 HB2 TYR 37 7.973 -1.591 -2.192 336 HB3 TYR 37 HB3 TYR 37 7.539 -1.223 -0.528 337 HD1 TYR 37 HD1 TYR 37 8.607 -2.540 1.327 338 HD2 TYR 37 HD2 TYR 37 9.939 -2.806 -2.705 339 HE1 TYR 37 HE1 TYR 37 10.732 -3.501 2.101 340 HE2 TYR 37 HE2 TYR 37 12.070 -3.768 -1.943 341 HH TYR 37 HH TYR 37 12.992 -4.931 -0.044 342 H ALA 38 H ALA 38 5.791 -2.503 1.036 343 HA ALA 38 HA ALA 38 7.115 -4.403 2.585 344 HB1 ALA 38 HB1 ALA 38 6.242 -2.740 3.876 345 HB2 ALA 38 HB2 ALA 38 5.018 -3.985 4.132 346 HB3 ALA 38 HB3 ALA 38 4.725 -2.684 2.977 347 H LEU 39 H LEU 39 4.392 -4.770 0.507 348 HA LEU 39 HA LEU 39 3.290 -7.086 1.770 349 HB2 LEU 39 HB2 LEU 39 2.958 -5.948 -1.003 350 HB3 LEU 39 HB3 LEU 39 2.083 -7.350 -0.419 351 HG LEU 39 HG LEU 39 1.931 -4.642 0.898 352 HD11 LEU 39 HD11 LEU 39 -0.200 -5.793 -0.861 353 HD12 LEU 39 HD12 LEU 39 1.104 -4.818 -1.538 354 HD13 LEU 39 HD13 LEU 39 0.027 -4.129 -0.323 355 HD21 LEU 39 HD21 LEU 39 -0.207 -6.675 1.109 356 HD22 LEU 39 HD22 LEU 39 0.397 -5.531 2.308 357 HD23 LEU 39 HD23 LEU 39 1.297 -7.010 1.969 358 H ASN 40 H ASN 40 5.433 -6.545 -1.005 359 HA ASN 40 HA ASN 40 5.681 -9.228 -1.785 360 HB2 ASN 40 HB2 ASN 40 7.148 -6.713 -2.299 361 HB3 ASN 40 HB3 ASN 40 8.063 -8.197 -2.553 362 HD21 ASN 40 HD21 ASN 40 4.853 -6.858 -3.258 363 HD22 ASN 40 HD22 ASN 40 4.767 -7.466 -4.872 364 H GLU 41 H GLU 41 7.515 -7.284 0.511 365 HA GLU 41 HA GLU 41 9.375 -9.406 1.088 366 HB2 GLU 41 HB2 GLU 41 10.100 -7.839 2.941 367 HB3 GLU 41 HB3 GLU 41 10.247 -7.216 1.303 368 HG2 GLU 41 HG2 GLU 41 8.854 -5.536 1.708 369 HG3 GLU 41 HG3 GLU 41 7.679 -6.589 2.494 370 H ASN 42 H ASN 42 6.266 -8.474 2.207 371 HA ASN 42 HA ASN 42 6.281 -9.318 4.851 372 HB2 ASN 42 HB2 ASN 42 4.383 -8.324 3.203 373 HB3 ASN 42 HB3 ASN 42 3.870 -10.006 3.275 374 HD21 ASN 42 HD21 ASN 42 2.378 -10.329 4.739 375 HD22 ASN 42 HD22 ASN 42 2.257 -9.542 6.274 376 H SER 43 H SER 43 6.100 -11.187 1.891 377 HA SER 43 HA SER 43 7.002 -13.553 3.119 378 HB2 SER 43 HB2 SER 43 4.062 -13.188 2.913 379 HB3 SER 43 HB3 SER 43 4.699 -14.762 2.434 380 HG SER 43 HG SER 43 4.479 -13.645 4.922 381 H ASN 44 H ASN 44 8.363 -13.868 1.442 382 HA ASN 44 HA ASN 44 7.453 -15.114 -0.897 383 HB2 ASN 44 HB2 ASN 44 7.097 -12.396 -1.090 384 HB3 ASN 44 HB3 ASN 44 8.670 -12.621 -1.848 385 HD21 ASN 44 HD21 ASN 44 8.261 -15.165 -2.930 386 HD22 ASN 44 HD22 ASN 44 7.099 -15.037 -4.202 387 H ASP 45 H ASP 45 9.989 -13.151 0.560 388 HA ASP 45 HA ASP 45 12.049 -14.615 -0.893 389 HB2 ASP 45 HB2 ASP 45 11.862 -12.000 0.074 390 HB3 ASP 45 HB3 ASP 45 13.036 -12.781 1.132 391 H ARG 46 H ARG 46 13.784 -15.693 0.196 392 HA ARG 46 HA ARG 46 13.528 -16.283 3.011 393 HB2 ARG 46 HB2 ARG 46 12.748 -18.230 0.896 394 HB3 ARG 46 HB3 ARG 46 13.633 -18.843 2.286 395 HG2 ARG 46 HG2 ARG 46 11.892 -17.726 3.732 396 HG3 ARG 46 HG3 ARG 46 10.965 -17.464 2.255 397 HD2 ARG 46 HD2 ARG 46 11.828 -20.184 2.340 398 HD3 ARG 46 HD3 ARG 46 11.068 -19.778 3.877 399 HE ARG 46 HE ARG 46 9.480 -18.841 1.743 400 HH11 ARG 46 HH11 ARG 46 10.421 -21.803 3.330 401 HH12 ARG 46 HH12 ARG 46 8.965 -22.638 2.909 402 HH21 ARG 46 HH21 ARG 46 7.563 -19.939 1.187 403 HH22 ARG 46 HH22 ARG 46 7.342 -21.581 1.693 404 H SER 47 H SER 47 15.073 -17.202 -0.051 405 HA SER 47 HA SER 47 17.680 -16.756 1.082 406 HB2 SER 47 HB2 SER 47 16.854 -19.206 1.627 407 HB3 SER 47 HB3 SER 47 17.327 -19.505 -0.045 408 HG SER 47 HG SER 47 19.390 -18.478 0.604 409 H GLU 48 H GLU 48 16.313 -18.670 -1.604 410 HA GLU 48 HA GLU 48 17.437 -16.766 -3.508 411 HB2 GLU 48 HB2 GLU 48 18.377 -19.546 -3.101 412 HB3 GLU 48 HB3 GLU 48 18.153 -19.040 -4.770 413 HG2 GLU 48 HG2 GLU 48 19.821 -17.468 -4.664 414 HG3 GLU 48 HG3 GLU 48 19.689 -17.289 -2.916 415 H HIS 49 H HIS 49 16.946 -17.902 -5.854 416 HA HIS 49 HA HIS 49 15.333 -18.390 -7.380 417 HB2 HIS 49 HB2 HIS 49 15.199 -20.445 -5.733 418 HB3 HIS 49 HB3 HIS 49 13.648 -19.735 -5.304 419 HD1 HIS 49 HD1 HIS 49 13.444 -18.793 -8.513 420 HD2 HIS 49 HD2 HIS 49 13.662 -22.597 -6.854 421 HE1 HIS 49 HE1 HIS 49 12.455 -20.336 -10.235 422 HE2 HIS 49 HE2 HIS 49 12.518 -22.620 -9.173 423 H HIS 50 H HIS 50 14.280 -16.633 -8.036 424 HA HIS 50 HA HIS 50 11.920 -15.784 -6.530 425 HB2 HIS 50 HB2 HIS 50 14.249 -14.342 -6.373 426 HB3 HIS 50 HB3 HIS 50 13.416 -13.543 -7.701 427 HD1 HIS 50 HD1 HIS 50 13.865 -13.004 -4.337 428 HD2 HIS 50 HD2 HIS 50 10.437 -13.280 -6.670 429 HE1 HIS 50 HE1 HIS 50 12.071 -11.811 -3.040 430 HE2 HIS 50 HE2 HIS 50 10.027 -11.917 -4.509 431 H LYS 51 H LYS 51 13.765 -14.812 -9.428 432 HA LYS 51 HA LYS 51 13.157 -14.540 -11.601 433 HB2 LYS 51 HB2 LYS 51 11.319 -16.686 -10.662 434 HB3 LYS 51 HB3 LYS 51 10.953 -15.917 -12.200 435 HG2 LYS 51 HG2 LYS 51 13.751 -16.722 -11.882 436 HG3 LYS 51 HG3 LYS 51 12.594 -18.053 -11.879 437 HD2 LYS 51 HD2 LYS 51 12.825 -17.916 -14.119 438 HD3 LYS 51 HD3 LYS 51 11.662 -16.598 -13.956 439 HE2 LYS 51 HE2 LYS 51 13.941 -15.253 -13.503 440 HE3 LYS 51 HE3 LYS 51 14.554 -16.523 -14.563 441 HZ1 LYS 51 HZ1 LYS 51 13.926 -14.933 -16.065 442 HZ2 LYS 51 HZ2 LYS 51 12.615 -14.394 -15.142 443 HZ3 LYS 51 HZ3 LYS 51 12.507 -15.851 -15.995 444 H LYS 52 H LYS 52 12.298 -12.778 -12.474 445 HA LYS 52 HA LYS 52 9.555 -12.048 -12.079 446 HB2 LYS 52 HB2 LYS 52 9.987 -9.852 -11.058 447 HB3 LYS 52 HB3 LYS 52 10.473 -11.170 -9.999 448 HG2 LYS 52 HG2 LYS 52 12.731 -10.503 -11.542 449 HG3 LYS 52 HG3 LYS 52 12.020 -8.985 -10.990 450 HD2 LYS 52 HD2 LYS 52 11.886 -10.503 -8.733 451 HD3 LYS 52 HD3 LYS 52 13.373 -11.100 -9.472 452 HE2 LYS 52 HE2 LYS 52 14.471 -9.147 -9.160 453 HE3 LYS 52 HE3 LYS 52 13.029 -8.171 -9.438 454 HZ1 LYS 52 HZ1 LYS 52 13.358 -9.765 -6.972 455 HZ2 LYS 52 HZ2 LYS 52 12.332 -8.448 -7.248 456 HZ3 LYS 52 HZ3 LYS 52 14.000 -8.205 -7.103 457 HA PRO 53 HA PRO 53 11.515 -10.935 -16.177 458 HB2 PRO 53 HB2 PRO 53 8.663 -11.416 -16.886 459 HB3 PRO 53 HB3 PRO 53 10.132 -11.932 -17.720 460 HG2 PRO 53 HG2 PRO 53 8.698 -13.667 -16.299 461 HG3 PRO 53 HG3 PRO 53 10.471 -13.729 -16.292 462 HD2 PRO 53 HD2 PRO 53 8.601 -12.698 -14.207 463 HD3 PRO 53 HD3 PRO 53 10.142 -13.558 -14.017 464 H ARG 54 H ARG 54 10.756 -9.231 -17.732 465 HA ARG 54 HA ARG 54 8.713 -7.415 -17.097 466 HB2 ARG 54 HB2 ARG 54 11.167 -7.083 -15.595 467 HB3 ARG 54 HB3 ARG 54 10.833 -5.663 -16.577 468 HG2 ARG 54 HG2 ARG 54 8.709 -6.867 -14.848 469 HG3 ARG 54 HG3 ARG 54 9.911 -5.760 -14.183 470 HD2 ARG 54 HD2 ARG 54 8.976 -4.561 -16.540 471 HD3 ARG 54 HD3 ARG 54 7.549 -5.187 -15.718 472 HE ARG 54 HE ARG 54 7.844 -3.623 -14.067 473 HH11 ARG 54 HH11 ARG 54 10.721 -3.762 -16.038 474 HH12 ARG 54 HH12 ARG 54 11.436 -2.363 -15.314 475 HH21 ARG 54 HH21 ARG 54 8.785 -1.780 -13.114 476 HH22 ARG 54 HH22 ARG 54 10.338 -1.237 -13.655 477 H ILE 55 H ILE 55 8.897 -5.367 -18.358 478 HA ILE 55 HA ILE 55 9.114 -4.349 -20.375 479 HB ILE 55 HB ILE 55 11.934 -5.397 -20.124 480 HG12 ILE 55 HG12 ILE 55 11.328 -2.540 -19.718 481 HG13 ILE 55 HG13 ILE 55 10.659 -3.622 -18.501 482 HG21 ILE 55 HG21 ILE 55 12.067 -4.778 -22.285 483 HG22 ILE 55 HG22 ILE 55 12.150 -3.150 -21.613 484 HG23 ILE 55 HG23 ILE 55 10.612 -3.785 -22.199 485 HD11 ILE 55 HD11 ILE 55 13.262 -4.492 -18.808 486 HD12 ILE 55 HD12 ILE 55 12.628 -3.500 -17.495 487 HD13 ILE 55 HD13 ILE 55 13.378 -2.736 -18.897 488 H ASP 56 H ASP 56 11.486 -6.780 -21.307 489 HA ASP 56 HA ASP 56 9.860 -8.652 -22.532 490 HB2 ASP 56 HB2 ASP 56 9.582 -6.257 -23.879 491 HB3 ASP 56 HB3 ASP 56 10.803 -7.096 -24.830 492 H ASP 57 H ASP 57 12.553 -6.791 -23.932 493 HA ASP 57 HA ASP 57 14.430 -8.904 -23.283 494 HB2 ASP 57 HB2 ASP 57 15.139 -9.229 -25.622 495 HB3 ASP 57 HB3 ASP 57 13.466 -9.719 -25.377 496 H SER 58 H SER 58 15.889 -7.652 -22.287 497 HA SER 58 HA SER 58 16.974 -5.365 -23.794 498 HB2 SER 58 HB2 SER 58 15.536 -4.779 -21.744 499 HB3 SER 58 HB3 SER 58 16.861 -5.434 -20.781 500 HG SER 58 HG SER 58 18.217 -3.876 -21.631 501 H SER 59 H SER 59 17.652 -7.610 -21.111 502 HA SER 59 HA SER 59 20.500 -7.291 -21.427 503 HB2 SER 59 HB2 SER 59 19.793 -7.667 -19.195 504 HB3 SER 59 HB3 SER 59 18.780 -9.033 -19.663 505 HG SER 59 HG SER 59 21.546 -8.901 -19.303 506 H ASP 60 H ASP 60 21.922 -9.213 -21.703 507 HA ASP 60 HA ASP 60 20.801 -11.020 -23.742 508 HB2 ASP 60 HB2 ASP 60 22.810 -9.263 -24.138 509 HB3 ASP 60 HB3 ASP 60 23.739 -10.653 -23.588 510 H LEU 61 H LEU 61 21.402 -13.205 -23.722 511 HA LEU 61 HA LEU 61 22.104 -14.199 -21.077 512 HB2 LEU 61 HB2 LEU 61 20.979 -15.466 -23.556 513 HB3 LEU 61 HB3 LEU 61 21.591 -16.445 -22.237 514 HG LEU 61 HG LEU 61 19.364 -14.422 -21.992 515 HD11 LEU 61 HD11 LEU 61 18.196 -16.774 -21.492 516 HD12 LEU 61 HD12 LEU 61 19.410 -17.300 -22.659 517 HD13 LEU 61 HD13 LEU 61 18.248 -16.048 -23.098 518 HD21 LEU 61 HD21 LEU 61 19.007 -15.550 -19.802 519 HD22 LEU 61 HD22 LEU 61 20.522 -14.653 -19.908 520 HD23 LEU 61 HD23 LEU 61 20.525 -16.411 -20.049 521 H LEU 62 H LEU 62 22.945 -15.527 -24.261 522 HA LEU 62 HA LEU 62 24.887 -16.364 -25.094 523 HB2 LEU 62 HB2 LEU 62 25.432 -13.803 -24.189 524 HB3 LEU 62 HB3 LEU 62 26.717 -14.765 -23.485 525 HG LEU 62 HG LEU 62 27.496 -13.893 -25.573 526 HD11 LEU 62 HD11 LEU 62 28.420 -15.801 -26.347 527 HD12 LEU 62 HD12 LEU 62 26.870 -16.632 -26.476 528 HD13 LEU 62 HD13 LEU 62 27.662 -16.482 -24.908 529 HD21 LEU 62 HD21 LEU 62 26.306 -13.754 -27.489 530 HD22 LEU 62 HD22 LEU 62 24.937 -13.854 -26.381 531 HD23 LEU 62 HD23 LEU 62 25.496 -15.297 -27.227 532 H LYS 63 H LYS 63 24.857 -18.420 -24.260 533 HA LYS 63 HA LYS 63 25.544 -20.213 -23.042 534 HB2 LYS 63 HB2 LYS 63 27.732 -18.250 -22.769 535 HB3 LYS 63 HB3 LYS 63 27.710 -19.520 -21.554 536 HG2 LYS 63 HG2 LYS 63 28.010 -21.205 -23.136 537 HG3 LYS 63 HG3 LYS 63 27.520 -20.164 -24.473 538 HD2 LYS 63 HD2 LYS 63 29.836 -19.161 -22.997 539 HD3 LYS 63 HD3 LYS 63 30.108 -20.733 -23.753 540 HE2 LYS 63 HE2 LYS 63 29.488 -19.868 -25.906 541 HE3 LYS 63 HE3 LYS 63 28.999 -18.331 -25.196 542 HZ1 LYS 63 HZ1 LYS 63 31.208 -18.273 -26.265 543 HZ2 LYS 63 HZ2 LYS 63 31.770 -19.391 -25.125 544 HZ3 LYS 63 HZ3 LYS 63 31.257 -17.859 -24.626 545 H THR 64 H THR 64 23.452 -19.569 -21.890 546 HA THR 64 HA THR 64 23.965 -18.807 -19.101 547 HB THR 64 HB THR 64 22.281 -17.450 -20.193 548 HG1 THR 64 HG1 THR 64 21.913 -18.076 -18.000 549 HG21 THR 64 HG21 THR 64 20.775 -20.002 -20.710 550 HG22 THR 64 HG22 THR 64 21.536 -18.980 -21.928 551 HG23 THR 64 HG23 THR 64 20.176 -18.368 -20.987 552 H ASP 65 H ASP 65 22.923 -20.001 -17.396 553 HA ASP 65 HA ASP 65 23.270 -22.779 -17.608 554 HB2 ASP 65 HB2 ASP 65 23.295 -21.292 -15.505 555 HB3 ASP 65 HB3 ASP 65 21.545 -21.480 -15.509 556 H GLU 66 H GLU 66 22.071 -23.947 -18.984 557 HA GLU 66 HA GLU 66 19.203 -24.086 -18.506 558 HB2 GLU 66 HB2 GLU 66 19.990 -22.469 -20.510 559 HB3 GLU 66 HB3 GLU 66 19.953 -24.000 -21.374 560 HG2 GLU 66 HG2 GLU 66 17.696 -24.187 -21.237 561 HG3 GLU 66 HG3 GLU 66 17.604 -23.323 -19.703 562 H ILE 67 H ILE 67 18.634 -26.148 -18.368 563 HA ILE 67 HA ILE 67 19.390 -28.145 -20.208 564 HB ILE 67 HB ILE 67 21.558 -27.997 -19.063 565 HG12 ILE 67 HG12 ILE 67 20.648 -30.582 -18.006 566 HG13 ILE 67 HG13 ILE 67 20.136 -30.274 -19.662 567 HG21 ILE 67 HG21 ILE 67 20.753 -27.220 -16.890 568 HG22 ILE 67 HG22 ILE 67 21.787 -28.639 -16.726 569 HG23 ILE 67 HG23 ILE 67 20.036 -28.802 -16.587 570 HD11 ILE 67 HD11 ILE 67 22.154 -31.375 -19.907 571 HD12 ILE 67 HD12 ILE 67 22.902 -30.514 -18.561 572 HD13 ILE 67 HD13 ILE 67 22.599 -29.676 -20.084 573 H1 GLY 68 H1 GLY 68 20.498 16.225 22.660 574 H2 GLY 68 H2 GLY 68 21.632 15.097 22.112 575 H3 GLY 68 H3 GLY 68 20.417 14.620 23.187 576 HA2 GLY 68 HA2 GLY 68 19.983 15.558 20.405 577 HA3 GLY 68 HA3 GLY 68 19.938 13.881 20.926 578 H HIS 69 H HIS 69 17.898 15.811 19.763 579 HA HIS 69 HA HIS 69 15.929 16.143 21.823 580 HB2 HIS 69 HB2 HIS 69 16.209 16.832 18.987 581 HB3 HIS 69 HB3 HIS 69 14.567 16.388 19.442 582 HD1 HIS 69 HD1 HIS 69 16.522 18.035 22.094 583 HD2 HIS 69 HD2 HIS 69 13.932 19.161 19.045 584 HE1 HIS 69 HE1 HIS 69 15.849 20.400 22.621 585 HE2 HIS 69 HE2 HIS 69 14.347 21.088 20.720 586 H MET 70 H MET 70 16.534 13.829 19.239 587 HA MET 70 HA MET 70 14.175 12.290 20.067 588 HB2 MET 70 HB2 MET 70 15.919 12.031 17.610 589 HB3 MET 70 HB3 MET 70 14.521 11.025 17.965 590 HG2 MET 70 HG2 MET 70 13.391 13.452 18.142 591 HG3 MET 70 HG3 MET 70 14.665 13.793 16.972 592 HE1 MET 70 HE1 MET 70 10.678 12.426 16.261 593 HE2 MET 70 HE2 MET 70 11.460 12.761 17.806 594 HE3 MET 70 HE3 MET 70 11.317 11.100 17.231 595 H MET 71 H MET 71 14.358 10.010 20.411 596 HA MET 71 HA MET 71 17.067 9.037 20.980 597 HB2 MET 71 HB2 MET 71 15.245 9.810 22.961 598 HB3 MET 71 HB3 MET 71 15.173 8.054 22.938 599 HG2 MET 71 HG2 MET 71 16.982 8.039 24.206 600 HG3 MET 71 HG3 MET 71 17.886 8.659 22.826 601 HE1 MET 71 HE1 MET 71 15.330 11.238 25.218 602 HE2 MET 71 HE2 MET 71 16.324 10.581 26.517 603 HE3 MET 71 HE3 MET 71 15.444 9.494 25.444 604 H SER 72 H SER 72 13.630 8.181 20.732 605 HA SER 72 HA SER 72 14.445 5.552 19.681 606 HB2 SER 72 HB2 SER 72 12.026 4.918 20.322 607 HB3 SER 72 HB3 SER 72 13.198 5.111 21.626 608 HG SER 72 HG SER 72 12.262 6.966 22.218 609 H LYS 73 H LYS 73 14.645 6.249 17.537 610 HA LYS 73 HA LYS 73 12.348 7.459 16.232 611 HB2 LYS 73 HB2 LYS 73 14.951 6.571 14.984 612 HB3 LYS 73 HB3 LYS 73 13.762 7.667 14.294 613 HG2 LYS 73 HG2 LYS 73 14.297 9.024 16.514 614 HG3 LYS 73 HG3 LYS 73 15.826 8.158 16.355 615 HD2 LYS 73 HD2 LYS 73 14.552 9.795 14.165 616 HD3 LYS 73 HD3 LYS 73 15.816 10.384 15.247 617 HE2 LYS 73 HE2 LYS 73 16.095 7.971 13.462 618 HE3 LYS 73 HE3 LYS 73 16.647 9.590 13.035 619 HZ1 LYS 73 HZ1 LYS 73 17.604 7.942 15.311 620 HZ2 LYS 73 HZ2 LYS 73 18.077 9.540 15.018 621 HZ3 LYS 73 HZ3 LYS 73 18.469 8.325 13.909 622 H LEU 74 H LEU 74 10.747 5.941 16.121 623 HA LEU 74 HA LEU 74 11.376 3.326 14.969 624 HB2 LEU 74 HB2 LEU 74 9.171 4.423 16.623 625 HB3 LEU 74 HB3 LEU 74 8.762 3.135 15.505 626 HG LEU 74 HG LEU 74 9.261 2.306 17.774 627 HD11 LEU 74 HD11 LEU 74 10.192 0.409 16.989 628 HD12 LEU 74 HD12 LEU 74 11.530 1.257 16.210 629 HD13 LEU 74 HD13 LEU 74 9.950 1.194 15.428 630 HD21 LEU 74 HD21 LEU 74 11.908 3.611 17.226 631 HD22 LEU 74 HD22 LEU 74 11.745 2.286 18.379 632 HD23 LEU 74 HD23 LEU 74 10.856 3.789 18.632 633 H PHE 75 H PHE 75 10.150 2.469 13.218 634 HA PHE 75 HA PHE 75 9.211 2.516 11.151 635 HB2 PHE 75 HB2 PHE 75 7.249 3.395 12.357 636 HB3 PHE 75 HB3 PHE 75 7.864 5.033 12.159 637 HD1 PHE 75 HD1 PHE 75 6.893 2.046 10.156 638 HD2 PHE 75 HD2 PHE 75 7.173 6.288 10.355 639 HE1 PHE 75 HE1 PHE 75 5.724 2.221 7.999 640 HE2 PHE 75 HE2 PHE 75 6.002 6.470 8.199 641 HZ PHE 75 HZ PHE 75 5.275 4.434 7.019 642 H LEU 76 H LEU 76 11.663 4.231 11.935 643 HA LEU 76 HA LEU 76 12.001 5.371 9.296 644 HB2 LEU 76 HB2 LEU 76 11.764 7.002 11.768 645 HB3 LEU 76 HB3 LEU 76 13.000 7.467 10.615 646 HG LEU 76 HG LEU 76 10.213 7.037 9.634 647 HD11 LEU 76 HD11 LEU 76 10.027 9.611 10.060 648 HD12 LEU 76 HD12 LEU 76 11.148 9.265 11.375 649 HD13 LEU 76 HD13 LEU 76 9.582 8.458 11.319 650 HD21 LEU 76 HD21 LEU 76 12.127 9.192 8.836 651 HD22 LEU 76 HD22 LEU 76 10.848 8.424 7.895 652 HD23 LEU 76 HD23 LEU 76 12.337 7.545 8.240 653 H ASP 77 H ASP 77 13.108 3.206 10.960 654 HA ASP 77 HA ASP 77 15.908 3.779 10.483 655 HB2 ASP 77 HB2 ASP 77 14.868 4.057 13.078 656 HB3 ASP 77 HB3 ASP 77 15.696 2.503 13.072 657 H GLU 78 H GLU 78 13.530 1.478 11.758 658 HA GLU 78 HA GLU 78 15.055 -0.850 11.286 659 HB2 GLU 78 HB2 GLU 78 12.094 -0.369 11.611 660 HB3 GLU 78 HB3 GLU 78 12.763 -1.979 11.365 661 HG2 GLU 78 HG2 GLU 78 14.285 -0.936 13.423 662 HG3 GLU 78 HG3 GLU 78 12.655 -0.357 13.759 663 H LEU 79 H LEU 79 12.222 0.374 9.499 664 HA LEU 79 HA LEU 79 12.416 -1.340 7.314 665 HB2 LEU 79 HB2 LEU 79 11.257 0.650 6.091 666 HB3 LEU 79 HB3 LEU 79 10.417 -0.194 7.376 667 HG LEU 79 HG LEU 79 10.822 1.588 8.921 668 HD11 LEU 79 HD11 LEU 79 12.079 3.607 8.268 669 HD12 LEU 79 HD12 LEU 79 12.546 2.805 6.770 670 HD13 LEU 79 HD13 LEU 79 13.088 2.162 8.321 671 HD21 LEU 79 HD21 LEU 79 10.174 3.243 6.569 672 HD22 LEU 79 HD22 LEU 79 9.295 3.021 8.082 673 HD23 LEU 79 HD23 LEU 79 9.177 1.808 6.809 674 HA PRO 80 HA PRO 80 15.667 -0.248 4.542 675 HB2 PRO 80 HB2 PRO 80 13.619 1.056 2.785 676 HB3 PRO 80 HB3 PRO 80 14.930 -0.047 2.350 677 HG2 PRO 80 HG2 PRO 80 12.426 -0.930 2.541 678 HG3 PRO 80 HG3 PRO 80 13.787 -1.918 3.104 679 HD2 PRO 80 HD2 PRO 80 11.749 -0.440 4.671 680 HD3 PRO 80 HD3 PRO 80 12.662 -1.900 5.098 681 H GLU 81 H GLU 81 16.585 1.293 5.960 682 HA GLU 81 HA GLU 81 15.803 3.916 6.342 683 HB2 GLU 81 HB2 GLU 81 17.587 2.713 7.605 684 HB3 GLU 81 HB3 GLU 81 18.655 2.923 6.223 685 HG2 GLU 81 HG2 GLU 81 19.305 4.832 7.130 686 HG3 GLU 81 HG3 GLU 81 17.707 5.475 6.754 687 H SER 82 H SER 82 17.313 2.477 3.577 688 HA SER 82 HA SER 82 18.521 4.689 2.394 689 HB2 SER 82 HB2 SER 82 18.235 2.089 1.686 690 HB3 SER 82 HB3 SER 82 17.102 2.844 0.566 691 HG SER 82 HG SER 82 19.352 2.664 -0.158 692 H LEU 83 H LEU 83 15.160 3.626 2.352 693 HA LEU 83 HA LEU 83 14.330 5.714 0.548 694 HB2 LEU 83 HB2 LEU 83 12.997 3.506 2.036 695 HB3 LEU 83 HB3 LEU 83 12.007 4.857 1.515 696 HG LEU 83 HG LEU 83 13.733 3.770 -0.594 697 HD11 LEU 83 HD11 LEU 83 12.542 1.739 -0.949 698 HD12 LEU 83 HD12 LEU 83 11.443 2.081 0.388 699 HD13 LEU 83 HD13 LEU 83 13.139 1.721 0.711 700 HD21 LEU 83 HD21 LEU 83 11.972 5.458 -0.942 701 HD22 LEU 83 HD22 LEU 83 10.765 4.276 -0.438 702 HD23 LEU 83 HD23 LEU 83 11.710 4.002 -1.901 703 H SER 84 H SER 84 14.354 5.162 4.013 704 HA SER 84 HA SER 84 12.622 7.116 4.902 705 HB2 SER 84 HB2 SER 84 15.210 6.115 6.094 706 HB3 SER 84 HB3 SER 84 14.133 7.224 6.940 707 HG SER 84 HG SER 84 13.396 5.308 7.582 708 H ARG 85 H ARG 85 15.770 7.480 3.483 709 HA ARG 85 HA ARG 85 16.463 10.024 4.404 710 HB2 ARG 85 HB2 ARG 85 17.137 8.408 1.989 711 HB3 ARG 85 HB3 ARG 85 17.574 10.110 1.997 712 HG2 ARG 85 HG2 ARG 85 18.316 8.439 4.343 713 HG3 ARG 85 HG3 ARG 85 19.239 8.273 2.849 714 HD2 ARG 85 HD2 ARG 85 18.691 10.971 4.033 715 HD3 ARG 85 HD3 ARG 85 20.026 9.979 4.619 716 HE ARG 85 HE ARG 85 20.416 9.995 1.949 717 HH11 ARG 85 HH11 ARG 85 19.896 12.538 4.283 718 HH12 ARG 85 HH12 ARG 85 20.827 13.705 3.404 719 HH21 ARG 85 HH21 ARG 85 21.641 11.528 0.794 720 HH22 ARG 85 HH22 ARG 85 21.817 13.133 1.423 721 H LYS 86 H LYS 86 14.526 9.057 1.594 722 HA LYS 86 HA LYS 86 14.019 11.787 0.825 723 HB2 LYS 86 HB2 LYS 86 12.790 9.197 -0.137 724 HB3 LYS 86 HB3 LYS 86 12.510 10.775 -0.861 725 HG2 LYS 86 HG2 LYS 86 14.685 10.920 -1.686 726 HG3 LYS 86 HG3 LYS 86 15.278 9.662 -0.600 727 HD2 LYS 86 HD2 LYS 86 13.173 9.009 -2.620 728 HD3 LYS 86 HD3 LYS 86 14.863 9.123 -3.119 729 HE2 LYS 86 HE2 LYS 86 15.299 7.546 -1.108 730 HE3 LYS 86 HE3 LYS 86 13.573 7.205 -1.216 731 HZ1 LYS 86 HZ1 LYS 86 15.406 5.857 -2.570 732 HZ2 LYS 86 HZ2 LYS 86 15.071 7.067 -3.705 733 HZ3 LYS 86 HZ3 LYS 86 13.827 6.073 -3.133 734 H ILE 87 H ILE 87 12.460 9.359 2.772 735 HA ILE 87 HA ILE 87 9.864 10.512 2.793 736 HB ILE 87 HB ILE 87 11.111 8.782 4.932 737 HG12 ILE 87 HG12 ILE 87 9.396 7.803 2.659 738 HG13 ILE 87 HG13 ILE 87 11.147 7.897 2.511 739 HG21 ILE 87 HG21 ILE 87 8.465 8.147 4.806 740 HG22 ILE 87 HG22 ILE 87 8.435 9.879 4.476 741 HG23 ILE 87 HG23 ILE 87 9.180 9.278 5.956 742 HD11 ILE 87 HD11 ILE 87 11.261 5.886 3.415 743 HD12 ILE 87 HD12 ILE 87 9.530 5.891 3.756 744 HD13 ILE 87 HD13 ILE 87 10.661 6.574 4.924 745 H GLY 88 H GLY 88 12.768 10.994 4.701 746 HA2 GLY 88 HA2 GLY 88 11.681 12.401 6.859 747 HA3 GLY 88 HA3 GLY 88 13.325 12.576 6.264 748 H THR 89 H THR 89 12.584 13.512 3.639 749 HA THR 89 HA THR 89 12.273 16.284 4.267 750 HB THR 89 HB THR 89 13.730 15.457 2.434 751 HG1 THR 89 HG1 THR 89 12.782 17.612 2.459 752 HG21 THR 89 HG21 THR 89 12.104 15.267 0.247 753 HG22 THR 89 HG22 THR 89 11.241 14.317 1.455 754 HG23 THR 89 HG23 THR 89 12.911 13.921 1.053 755 H VAL 90 H VAL 90 10.185 13.747 3.095 756 HA VAL 90 HA VAL 90 8.071 15.533 2.292 757 HB VAL 90 HB VAL 90 7.880 12.558 2.769 758 HG11 VAL 90 HG11 VAL 90 6.058 12.753 1.071 759 HG12 VAL 90 HG12 VAL 90 6.215 14.506 1.184 760 HG13 VAL 90 HG13 VAL 90 5.724 13.572 2.597 761 HG21 VAL 90 HG21 VAL 90 8.065 12.826 0.077 762 HG22 VAL 90 HG22 VAL 90 9.418 12.421 1.131 763 HG23 VAL 90 HG23 VAL 90 9.171 14.088 0.617 764 H VAL 91 H VAL 91 8.645 13.313 5.006 765 HA VAL 91 HA VAL 91 6.209 13.691 6.325 766 HB VAL 91 HB VAL 91 8.868 13.177 7.662 767 HG11 VAL 91 HG11 VAL 91 6.007 12.793 8.468 768 HG12 VAL 91 HG12 VAL 91 7.311 13.592 9.345 769 HG13 VAL 91 HG13 VAL 91 7.296 11.835 9.195 770 HG21 VAL 91 HG21 VAL 91 7.352 10.795 7.249 771 HG22 VAL 91 HG22 VAL 91 8.971 11.192 6.674 772 HG23 VAL 91 HG23 VAL 91 7.561 11.612 5.701 773 H ARG 92 H ARG 92 9.165 15.586 6.347 774 HA ARG 92 HA ARG 92 8.820 17.176 8.569 775 HB2 ARG 92 HB2 ARG 92 10.750 17.173 6.912 776 HB3 ARG 92 HB3 ARG 92 9.774 18.242 5.914 777 HG2 ARG 92 HG2 ARG 92 9.714 19.883 7.719 778 HG3 ARG 92 HG3 ARG 92 10.684 18.809 8.728 779 HD2 ARG 92 HD2 ARG 92 11.813 19.368 6.075 780 HD3 ARG 92 HD3 ARG 92 11.687 20.772 7.133 781 HE ARG 92 HE ARG 92 12.827 18.904 8.721 782 HH11 ARG 92 HH11 ARG 92 13.592 20.115 5.539 783 HH12 ARG 92 HH12 ARG 92 15.293 19.846 5.708 784 HH21 ARG 92 HH21 ARG 92 15.067 18.549 8.946 785 HH22 ARG 92 HH22 ARG 92 16.131 18.957 7.642 786 H VAL 93 H VAL 93 7.216 17.378 5.458 787 HA VAL 93 HA VAL 93 5.915 19.878 6.048 788 HB VAL 93 HB VAL 93 5.248 17.908 3.859 789 HG11 VAL 93 HG11 VAL 93 4.068 19.624 2.815 790 HG12 VAL 93 HG12 VAL 93 4.837 20.877 3.789 791 HG13 VAL 93 HG13 VAL 93 3.637 19.809 4.515 792 HG21 VAL 93 HG21 VAL 93 7.027 20.314 3.581 793 HG22 VAL 93 HG22 VAL 93 6.784 18.989 2.442 794 HG23 VAL 93 HG23 VAL 93 7.661 18.708 3.945 795 H LEU 94 H LEU 94 4.927 16.472 5.842 796 HA LEU 94 HA LEU 94 2.466 17.182 7.298 797 HB2 LEU 94 HB2 LEU 94 2.966 15.460 4.972 798 HB3 LEU 94 HB3 LEU 94 1.940 14.739 6.197 799 HG LEU 94 HG LEU 94 0.674 15.899 4.418 800 HD11 LEU 94 HD11 LEU 94 0.255 15.961 7.153 801 HD12 LEU 94 HD12 LEU 94 -0.935 16.302 5.900 802 HD13 LEU 94 HD13 LEU 94 -0.029 17.622 6.637 803 HD21 LEU 94 HD21 LEU 94 1.860 18.418 5.566 804 HD22 LEU 94 HD22 LEU 94 0.703 18.294 4.241 805 HD23 LEU 94 HD23 LEU 94 2.348 17.690 4.036 806 HA PRO 95 HA PRO 95 4.961 14.307 9.977 807 HB2 PRO 95 HB2 PRO 95 5.008 15.840 12.190 808 HB3 PRO 95 HB3 PRO 95 6.177 16.053 10.880 809 HG2 PRO 95 HG2 PRO 95 3.699 17.621 11.482 810 HG3 PRO 95 HG3 PRO 95 5.302 18.204 10.994 811 HD2 PRO 95 HD2 PRO 95 3.204 17.937 9.265 812 HD3 PRO 95 HD3 PRO 95 4.903 17.809 8.769 813 H SER 96 H SER 96 1.874 15.661 9.894 814 HA SER 96 HA SER 96 0.973 14.066 12.193 815 HB2 SER 96 HB2 SER 96 0.051 16.624 10.998 816 HB3 SER 96 HB3 SER 96 -1.195 15.549 11.634 817 HG SER 96 HG SER 96 -0.405 16.995 13.225 818 H SER 97 H SER 97 0.409 14.717 8.765 819 HA SER 97 HA SER 97 -1.865 13.072 8.475 820 HB2 SER 97 HB2 SER 97 -1.477 14.579 6.708 821 HB3 SER 97 HB3 SER 97 0.204 14.081 6.536 822 HG SER 97 HG SER 97 -1.072 13.192 4.886 823 H LEU 98 H LEU 98 1.568 12.395 8.452 824 HA LEU 98 HA LEU 98 1.635 9.896 7.273 825 HB2 LEU 98 HB2 LEU 98 3.473 11.465 8.448 826 HB3 LEU 98 HB3 LEU 98 3.282 10.261 9.708 827 HG LEU 98 HG LEU 98 4.190 9.811 6.869 828 HD11 LEU 98 HD11 LEU 98 6.256 9.230 7.778 829 HD12 LEU 98 HD12 LEU 98 5.592 9.033 9.400 830 HD13 LEU 98 HD13 LEU 98 5.765 10.647 8.707 831 HD21 LEU 98 HD21 LEU 98 3.473 7.793 8.990 832 HD22 LEU 98 HD22 LEU 98 4.382 7.421 7.524 833 HD23 LEU 98 HD23 LEU 98 2.718 7.994 7.409 834 H GLU 99 H GLU 99 0.570 10.806 10.483 835 HA GLU 99 HA GLU 99 0.558 8.325 11.737 836 HB2 GLU 99 HB2 GLU 99 -1.004 10.844 12.065 837 HB3 GLU 99 HB3 GLU 99 -1.573 9.405 12.898 838 HG2 GLU 99 HG2 GLU 99 0.398 9.230 14.165 839 HG3 GLU 99 HG3 GLU 99 1.254 10.376 13.135 840 H ILE 100 H ILE 100 -1.827 9.784 9.580 841 HA ILE 100 HA ILE 100 -3.763 7.716 9.875 842 HB ILE 100 HB ILE 100 -3.468 9.604 7.538 843 HG12 ILE 100 HG12 ILE 100 -5.009 10.000 10.115 844 HG13 ILE 100 HG13 ILE 100 -3.514 10.827 9.690 845 HG21 ILE 100 HG21 ILE 100 -5.025 7.567 7.444 846 HG22 ILE 100 HG22 ILE 100 -5.698 9.143 7.031 847 HG23 ILE 100 HG23 ILE 100 -6.012 8.438 8.617 848 HD11 ILE 100 HD11 ILE 100 -5.220 12.352 9.221 849 HD12 ILE 100 HD12 ILE 100 -6.227 11.122 8.457 850 HD13 ILE 100 HD13 ILE 100 -4.763 11.688 7.652 851 H PHE 101 H PHE 101 -1.095 8.305 7.662 852 HA PHE 101 HA PHE 101 -1.748 6.138 5.908 853 HB2 PHE 101 HB2 PHE 101 0.792 7.747 6.235 854 HB3 PHE 101 HB3 PHE 101 0.518 6.565 4.958 855 HD1 PHE 101 HD1 PHE 101 -2.165 7.071 4.070 856 HD2 PHE 101 HD2 PHE 101 0.826 9.841 5.289 857 HE1 PHE 101 HE1 PHE 101 -3.216 8.811 2.682 858 HE2 PHE 101 HE2 PHE 101 -0.219 11.586 3.904 859 HZ PHE 101 HZ PHE 101 -2.243 11.072 2.599 860 H GLU 102 H GLU 102 0.162 6.535 8.798 861 HA GLU 102 HA GLU 102 1.819 4.301 8.637 862 HB2 GLU 102 HB2 GLU 102 1.055 6.200 10.628 863 HB3 GLU 102 HB3 GLU 102 0.963 4.596 11.341 864 HG2 GLU 102 HG2 GLU 102 3.266 4.159 10.671 865 HG3 GLU 102 HG3 GLU 102 3.361 5.760 9.939 866 H GLU 103 H GLU 103 -1.478 4.588 9.917 867 HA GLU 103 HA GLU 103 -1.658 1.803 10.577 868 HB2 GLU 103 HB2 GLU 103 -3.973 3.704 10.238 869 HB3 GLU 103 HB3 GLU 103 -3.898 2.257 11.234 870 HG2 GLU 103 HG2 GLU 103 -2.193 3.386 12.643 871 HG3 GLU 103 HG3 GLU 103 -2.449 4.852 11.696 872 H LEU 104 H LEU 104 -2.283 3.753 7.785 873 HA LEU 104 HA LEU 104 -4.092 2.050 6.446 874 HB2 LEU 104 HB2 LEU 104 -3.334 4.512 5.963 875 HB3 LEU 104 HB3 LEU 104 -2.109 3.739 4.976 876 HG LEU 104 HG LEU 104 -5.099 3.537 4.628 877 HD11 LEU 104 HD11 LEU 104 -4.893 4.933 2.837 878 HD12 LEU 104 HD12 LEU 104 -3.219 4.474 2.528 879 HD13 LEU 104 HD13 LEU 104 -3.603 5.571 3.855 880 HD21 LEU 104 HD21 LEU 104 -4.397 1.418 4.007 881 HD22 LEU 104 HD22 LEU 104 -2.845 1.998 3.403 882 HD23 LEU 104 HD23 LEU 104 -4.319 2.308 2.487 883 H TYR 105 H TYR 105 -0.555 2.396 6.188 884 HA TYR 105 HA TYR 105 -0.267 0.275 4.321 885 HB2 TYR 105 HB2 TYR 105 1.935 0.837 4.281 886 HB3 TYR 105 HB3 TYR 105 1.353 2.281 5.096 887 HD1 TYR 105 HD1 TYR 105 3.147 -0.893 5.513 888 HD2 TYR 105 HD2 TYR 105 1.849 2.677 7.430 889 HE1 TYR 105 HE1 TYR 105 4.657 -1.361 7.396 890 HE2 TYR 105 HE2 TYR 105 3.355 2.217 9.318 891 HH TYR 105 HH TYR 105 5.785 0.573 9.377 892 H LYS 106 H LYS 106 -0.157 0.473 7.825 893 HA LYS 106 HA LYS 106 0.827 -2.177 8.226 894 HB2 LYS 106 HB2 LYS 106 -0.221 0.012 9.923 895 HB3 LYS 106 HB3 LYS 106 -0.395 -1.614 10.570 896 HG2 LYS 106 HG2 LYS 106 2.258 -0.944 9.481 897 HG3 LYS 106 HG3 LYS 106 1.775 -0.076 10.939 898 HD2 LYS 106 HD2 LYS 106 1.268 -2.982 10.942 899 HD3 LYS 106 HD3 LYS 106 2.966 -2.497 10.956 900 HE2 LYS 106 HE2 LYS 106 2.713 -2.319 13.171 901 HE3 LYS 106 HE3 LYS 106 1.862 -0.817 12.814 902 HZ1 LYS 106 HZ1 LYS 106 -0.203 -2.226 12.670 903 HZ2 LYS 106 HZ2 LYS 106 0.459 -2.046 14.217 904 HZ3 LYS 106 HZ3 LYS 106 0.695 -3.483 13.357 905 H TYR 107 H TYR 107 -2.371 -0.704 8.084 906 HA TYR 107 HA TYR 107 -3.887 -2.870 8.993 907 HB2 TYR 107 HB2 TYR 107 -4.907 -0.703 8.748 908 HB3 TYR 107 HB3 TYR 107 -4.558 -0.677 7.023 909 HD1 TYR 107 HD1 TYR 107 -5.802 -2.223 5.501 910 HD2 TYR 107 HD2 TYR 107 -6.864 -1.748 9.593 911 HE1 TYR 107 HE1 TYR 107 -8.006 -3.208 5.035 912 HE2 TYR 107 HE2 TYR 107 -9.072 -2.732 9.139 913 HH TYR 107 HH TYR 107 -10.592 -3.014 7.165 914 H ALA 108 H ALA 108 -2.828 -2.022 5.714 915 HA ALA 108 HA ALA 108 -4.100 -4.232 4.457 916 HB1 ALA 108 HB1 ALA 108 -2.431 -3.643 2.583 917 HB2 ALA 108 HB2 ALA 108 -2.004 -2.271 3.605 918 HB3 ALA 108 HB3 ALA 108 -3.659 -2.456 3.025 919 H LEU 109 H LEU 109 -1.104 -3.835 6.142 920 HA LEU 109 HA LEU 109 0.266 -6.053 4.994 921 HB2 LEU 109 HB2 LEU 109 0.648 -4.381 7.452 922 HB3 LEU 109 HB3 LEU 109 1.599 -5.835 7.219 923 HG LEU 109 HG LEU 109 1.509 -3.599 5.201 924 HD11 LEU 109 HD11 LEU 109 3.228 -3.984 7.617 925 HD12 LEU 109 HD12 LEU 109 2.458 -2.516 7.013 926 HD13 LEU 109 HD13 LEU 109 3.866 -3.180 6.182 927 HD21 LEU 109 HD21 LEU 109 3.059 -4.750 4.027 928 HD22 LEU 109 HD22 LEU 109 2.317 -6.131 4.836 929 HD23 LEU 109 HD23 LEU 109 3.807 -5.432 5.471 930 H ASN 110 H ASN 110 -2.022 -5.671 7.595 931 HA ASN 110 HA ASN 110 -1.528 -8.166 8.862 932 HB2 ASN 110 HB2 ASN 110 -3.572 -6.033 9.043 933 HB3 ASN 110 HB3 ASN 110 -4.083 -7.636 9.564 934 HD21 ASN 110 HD21 ASN 110 -4.274 -6.870 11.690 935 HD22 ASN 110 HD22 ASN 110 -2.883 -6.619 12.685 936 H GLU 111 H GLU 111 -3.678 -7.112 6.288 937 HA GLU 111 HA GLU 111 -5.125 -9.576 6.152 938 HB2 GLU 111 HB2 GLU 111 -6.127 -8.668 4.138 939 HB3 GLU 111 HB3 GLU 111 -6.083 -7.432 5.388 940 HG2 GLU 111 HG2 GLU 111 -4.698 -6.111 4.219 941 HG3 GLU 111 HG3 GLU 111 -3.766 -7.466 3.585 942 H ASN 112 H ASN 112 -2.186 -8.355 4.758 943 HA ASN 112 HA ASN 112 -2.025 -10.238 2.619 944 HB2 ASN 112 HB2 ASN 112 -0.709 -7.936 3.184 945 HB3 ASN 112 HB3 ASN 112 0.491 -9.118 3.695 946 HD21 ASN 112 HD21 ASN 112 1.953 -9.240 2.150 947 HD22 ASN 112 HD22 ASN 112 1.633 -9.421 0.463 948 H SER 113 H SER 113 -1.151 -10.261 5.986 949 HA SER 113 HA SER 113 0.339 -12.759 5.663 950 HB2 SER 113 HB2 SER 113 0.859 -10.604 7.244 951 HB3 SER 113 HB3 SER 113 -0.001 -11.647 8.377 952 HG SER 113 HG SER 113 2.022 -12.358 8.553 953 H ASN 114 H ASN 114 -2.549 -12.639 5.279 954 HA ASN 114 HA ASN 114 -3.464 -14.266 7.556 955 HB2 ASN 114 HB2 ASN 114 -4.728 -12.172 5.996 956 HB3 ASN 114 HB3 ASN 114 -5.690 -13.647 5.973 957 HD21 ASN 114 HD21 ASN 114 -7.164 -13.693 7.489 958 HD22 ASN 114 HD22 ASN 114 -7.032 -13.014 9.072 959 H ASP 115 H ASP 115 -2.584 -16.220 6.840 960 HA ASP 115 HA ASP 115 -3.208 -17.229 4.209 961 HB2 ASP 115 HB2 ASP 115 -1.116 -17.701 5.752 962 HB3 ASP 115 HB3 ASP 115 -2.145 -18.981 6.387 963 H ARG 116 H ARG 116 -5.211 -17.884 3.785 964 HA ARG 116 HA ARG 116 -7.132 -18.625 5.683 965 HB2 ARG 116 HB2 ARG 116 -8.419 -19.494 3.748 966 HB3 ARG 116 HB3 ARG 116 -7.791 -17.872 3.485 967 HG2 ARG 116 HG2 ARG 116 -6.709 -18.521 1.667 968 HG3 ARG 116 HG3 ARG 116 -5.905 -19.822 2.548 969 HD2 ARG 116 HD2 ARG 116 -8.241 -20.996 2.307 970 HD3 ARG 116 HD3 ARG 116 -8.428 -19.874 0.959 971 HE ARG 116 HE ARG 116 -6.899 -21.096 -0.229 972 HH11 ARG 116 HH11 ARG 116 -6.726 -22.023 3.131 973 HH12 ARG 116 HH12 ARG 116 -5.663 -23.358 2.838 974 HH21 ARG 116 HH21 ARG 116 -5.504 -22.853 -0.618 975 HH22 ARG 116 HH22 ARG 116 -4.969 -23.830 0.708 976 H SER 117 H SER 117 -8.138 -20.709 6.021 977 HA SER 117 HA SER 117 -6.494 -23.040 5.393 978 HB2 SER 117 HB2 SER 117 -6.189 -21.851 7.827 979 HB3 SER 117 HB3 SER 117 -7.474 -23.008 8.177 980 HG SER 117 HG SER 117 -6.018 -24.572 7.077 981 H GLU 118 H GLU 118 -8.069 -23.896 4.091 982 HA GLU 118 HA GLU 118 -10.816 -23.968 4.681 983 HB2 GLU 118 HB2 GLU 118 -9.065 -24.962 2.629 984 HB3 GLU 118 HB3 GLU 118 -10.206 -26.219 3.084 985 HG2 GLU 118 HG2 GLU 118 -11.923 -25.174 2.119 986 HG3 GLU 118 HG3 GLU 118 -11.436 -23.597 2.736 987 H HIS 119 H HIS 119 -11.734 -26.496 4.470 988 HA HIS 119 HA HIS 119 -10.486 -28.087 6.577 989 HB2 HIS 119 HB2 HIS 119 -12.273 -26.489 7.524 990 HB3 HIS 119 HB3 HIS 119 -13.440 -27.520 6.702 991 HD1 HIS 119 HD1 HIS 119 -10.419 -28.985 8.363 992 HD2 HIS 119 HD2 HIS 119 -14.483 -28.516 9.088 993 HE1 HIS 119 HE1 HIS 119 -10.920 -30.445 10.347 994 HE2 HIS 119 HE2 HIS 119 -13.402 -30.215 10.711 995 H HIS 120 H HIS 120 -10.379 -30.132 5.950 996 HA HIS 120 HA HIS 120 -12.491 -31.194 4.203 997 HB2 HIS 120 HB2 HIS 120 -10.710 -32.500 3.006 998 HB3 HIS 120 HB3 HIS 120 -10.644 -30.761 2.735 999 HD1 HIS 120 HD1 HIS 120 -8.492 -29.602 3.289 1000 HD2 HIS 120 HD2 HIS 120 -8.668 -33.458 4.830 1001 HE1 HIS 120 HE1 HIS 120 -6.194 -30.071 4.194 1002 HE2 HIS 120 HE2 HIS 120 -6.300 -32.439 5.045 1003 H LYS 121 H LYS 121 -11.944 -33.743 3.986 1004 HA LYS 121 HA LYS 121 -10.965 -34.959 6.386 1005 HB2 LYS 121 HB2 LYS 121 -13.119 -35.972 7.070 1006 HB3 LYS 121 HB3 LYS 121 -13.100 -34.223 7.256 1007 HG2 LYS 121 HG2 LYS 121 -14.456 -33.919 5.332 1008 HG3 LYS 121 HG3 LYS 121 -14.289 -35.614 4.872 1009 HD2 LYS 121 HD2 LYS 121 -15.742 -36.340 6.508 1010 HD3 LYS 121 HD3 LYS 121 -15.453 -34.935 7.534 1011 HE2 LYS 121 HE2 LYS 121 -16.850 -33.566 6.257 1012 HE3 LYS 121 HE3 LYS 121 -16.805 -34.658 4.873 1013 HZ1 LYS 121 HZ1 LYS 121 -18.395 -34.834 7.328 1014 HZ2 LYS 121 HZ2 LYS 121 -17.929 -36.274 6.573 1015 HZ3 LYS 121 HZ3 LYS 121 -18.849 -35.135 5.725 1016 H LYS 122 H LYS 122 -10.790 -37.216 6.224 1017 HA LYS 122 HA LYS 122 -11.953 -38.789 4.215 1018 HB2 LYS 122 HB2 LYS 122 -9.929 -39.151 2.791 1019 HB3 LYS 122 HB3 LYS 122 -10.652 -37.557 2.623 1020 HG2 LYS 122 HG2 LYS 122 -8.936 -36.564 3.961 1021 HG3 LYS 122 HG3 LYS 122 -8.274 -38.149 4.370 1022 HD2 LYS 122 HD2 LYS 122 -8.113 -38.351 1.733 1023 HD3 LYS 122 HD3 LYS 122 -8.069 -36.591 1.845 1024 HE2 LYS 122 HE2 LYS 122 -5.950 -36.624 2.522 1025 HE3 LYS 122 HE3 LYS 122 -6.320 -37.775 3.803 1026 HZ1 LYS 122 HZ1 LYS 122 -5.764 -38.472 0.969 1027 HZ2 LYS 122 HZ2 LYS 122 -6.097 -39.572 2.210 1028 HZ3 LYS 122 HZ3 LYS 122 -4.681 -38.650 2.256 1029 HA PRO 123 HA PRO 123 -10.247 -41.762 7.023 1030 HB2 PRO 123 HB2 PRO 123 -10.781 -44.032 5.665 1031 HB3 PRO 123 HB3 PRO 123 -12.050 -43.072 6.436 1032 HG2 PRO 123 HG2 PRO 123 -11.212 -43.147 3.563 1033 HG3 PRO 123 HG3 PRO 123 -12.847 -43.124 4.250 1034 HD2 PRO 123 HD2 PRO 123 -11.619 -40.907 3.257 1035 HD3 PRO 123 HD3 PRO 123 -12.813 -40.848 4.567 1036 H ARG 124 H ARG 124 -8.725 -43.678 7.011 1037 HA ARG 124 HA ARG 124 -6.762 -43.579 4.843 1038 HB2 ARG 124 HB2 ARG 124 -6.286 -42.129 7.061 1039 HB3 ARG 124 HB3 ARG 124 -5.641 -43.679 7.586 1040 HG2 ARG 124 HG2 ARG 124 -3.841 -43.505 6.276 1041 HG3 ARG 124 HG3 ARG 124 -4.777 -42.897 4.909 1042 HD2 ARG 124 HD2 ARG 124 -4.759 -40.675 5.808 1043 HD3 ARG 124 HD3 ARG 124 -4.029 -41.238 7.310 1044 HE ARG 124 HE ARG 124 -2.688 -40.683 4.829 1045 HH11 ARG 124 HH11 ARG 124 -2.534 -42.454 7.832 1046 HH12 ARG 124 HH12 ARG 124 -0.808 -42.590 7.808 1047 HH21 ARG 124 HH21 ARG 124 -0.417 -40.861 4.795 1048 HH22 ARG 124 HH22 ARG 124 0.394 -41.685 6.085 1049 H ILE 125 H ILE 125 -8.218 -45.624 4.694 1050 HA ILE 125 HA ILE 125 -6.816 -47.793 6.112 1051 HB ILE 125 HB ILE 125 -9.148 -47.462 6.946 1052 HG12 ILE 125 HG12 ILE 125 -7.907 -49.666 6.965 1053 HG13 ILE 125 HG13 ILE 125 -9.659 -49.785 7.054 1054 HG21 ILE 125 HG21 ILE 125 -11.040 -47.969 5.604 1055 HG22 ILE 125 HG22 ILE 125 -10.026 -48.482 4.257 1056 HG23 ILE 125 HG23 ILE 125 -10.075 -46.783 4.723 1057 HD11 ILE 125 HD11 ILE 125 -9.507 -50.092 4.482 1058 HD12 ILE 125 HD12 ILE 125 -9.123 -51.439 5.553 1059 HD13 ILE 125 HD13 ILE 125 -7.825 -50.501 4.817 1060 H ASP 126 H ASP 126 -5.723 -49.038 4.762 1061 HA ASP 126 HA ASP 126 -6.746 -49.389 2.019 1062 HB2 ASP 126 HB2 ASP 126 -4.123 -48.536 2.974 1063 HB3 ASP 126 HB3 ASP 126 -4.025 -49.914 1.882 1064 H ASP 127 H ASP 127 -7.091 -51.418 1.376 1065 HA ASP 127 HA ASP 127 -5.581 -53.637 2.396 1066 HB2 ASP 127 HB2 ASP 127 -7.534 -53.013 4.072 1067 HB3 ASP 127 HB3 ASP 127 -8.513 -53.898 2.907 1068 H SER 128 H SER 128 -5.129 -54.379 0.399 1069 HA SER 128 HA SER 128 -7.362 -54.818 -1.461 1070 HB2 SER 128 HB2 SER 128 -5.348 -53.434 -2.182 1071 HB3 SER 128 HB3 SER 128 -4.422 -54.935 -2.141 1072 HG SER 128 HG SER 128 -5.127 -54.949 -4.160 1073 H SER 129 H SER 129 -4.292 -56.396 -0.548 1074 HA SER 129 HA SER 129 -5.505 -58.885 0.021 1075 HB2 SER 129 HB2 SER 129 -5.305 -58.468 -2.689 1076 HB3 SER 129 HB3 SER 129 -3.821 -59.353 -2.337 1077 HG SER 129 HG SER 129 -5.015 -61.027 -1.527 1078 H ASP 130 H ASP 130 -3.651 -60.687 -0.106 1079 HA ASP 130 HA ASP 130 -0.985 -59.751 0.304 1080 HB2 ASP 130 HB2 ASP 130 -2.449 -59.274 2.481 1081 HB3 ASP 130 HB3 ASP 130 -2.084 -60.968 2.792 1082 H LEU 131 H LEU 131 -0.111 -61.331 -0.900 1083 HA LEU 131 HA LEU 131 -1.016 -64.073 -0.649 1084 HB2 LEU 131 HB2 LEU 131 1.220 -62.922 -2.319 1085 HB3 LEU 131 HB3 LEU 131 0.564 -64.542 -2.452 1086 HG LEU 131 HG LEU 131 -1.399 -62.363 -2.771 1087 HD11 LEU 131 HD11 LEU 131 -0.620 -62.228 -5.240 1088 HD12 LEU 131 HD12 LEU 131 0.949 -62.699 -4.586 1089 HD13 LEU 131 HD13 LEU 131 0.166 -61.221 -4.023 1090 HD21 LEU 131 HD21 LEU 131 -2.359 -64.364 -3.258 1091 HD22 LEU 131 HD22 LEU 131 -0.849 -65.078 -3.824 1092 HD23 LEU 131 HD23 LEU 131 -1.743 -63.967 -4.862 1093 H LEU 132 H LEU 132 0.440 -65.843 -0.206 1094 HA LEU 132 HA LEU 132 1.948 -66.944 1.092 1095 HB2 LEU 132 HB2 LEU 132 3.381 -65.060 -0.331 1096 HB3 LEU 132 HB3 LEU 132 3.893 -64.775 1.321 1097 HG LEU 132 HG LEU 132 3.900 -67.582 0.323 1098 HD11 LEU 132 HD11 LEU 132 4.972 -66.618 -1.524 1099 HD12 LEU 132 HD12 LEU 132 6.282 -67.129 -0.459 1100 HD13 LEU 132 HD13 LEU 132 5.812 -65.431 -0.526 1101 HD21 LEU 132 HD21 LEU 132 6.194 -67.168 1.689 1102 HD22 LEU 132 HD22 LEU 132 4.677 -67.671 2.432 1103 HD23 LEU 132 HD23 LEU 132 5.143 -65.971 2.444 1104 H LYS 133 H LYS 133 2.991 -66.969 3.235 1105 HA LYS 133 HA LYS 133 2.440 -64.787 5.034 1106 HB2 LYS 133 HB2 LYS 133 0.449 -66.731 4.688 1107 HB3 LYS 133 HB3 LYS 133 1.239 -67.145 6.203 1108 HG2 LYS 133 HG2 LYS 133 0.334 -65.414 7.275 1109 HG3 LYS 133 HG3 LYS 133 0.675 -64.299 5.951 1110 HD2 LYS 133 HD2 LYS 133 -1.279 -65.391 4.738 1111 HD3 LYS 133 HD3 LYS 133 -1.685 -66.133 6.288 1112 HE2 LYS 133 HE2 LYS 133 -1.224 -63.192 6.182 1113 HE3 LYS 133 HE3 LYS 133 -2.739 -63.833 5.547 1114 HZ1 LYS 133 HZ1 LYS 133 -1.923 -64.812 8.162 1115 HZ2 LYS 133 HZ2 LYS 133 -3.461 -64.399 7.591 1116 HZ3 LYS 133 HZ3 LYS 133 -2.390 -63.189 8.092 1117 H THR 134 H THR 134 3.250 -68.239 4.803 1118 HA THR 134 HA THR 134 4.800 -68.264 7.192 1119 HB THR 134 HB THR 134 5.731 -70.419 5.892 1120 HG1 THR 134 HG1 THR 134 4.706 -70.749 4.112 1121 HG21 THR 134 HG21 THR 134 3.838 -70.014 7.842 1122 HG22 THR 134 HG22 THR 134 4.467 -71.571 7.304 1123 HG23 THR 134 HG23 THR 134 2.973 -70.937 6.614 1124 H ASP 135 H ASP 135 6.202 -66.463 6.927 1125 HA ASP 135 HA ASP 135 8.126 -66.460 4.774 1126 HB2 ASP 135 HB2 ASP 135 7.543 -64.676 7.108 1127 HB3 ASP 135 HB3 ASP 135 9.093 -64.541 6.283 1128 H GLU 136 H GLU 136 10.084 -67.355 4.797 1129 HA GLU 136 HA GLU 136 11.309 -68.046 7.375 1130 HB2 GLU 136 HB2 GLU 136 10.167 -70.044 6.381 1131 HB3 GLU 136 HB3 GLU 136 11.243 -69.911 4.998 1132 HG2 GLU 136 HG2 GLU 136 12.377 -71.455 6.211 1133 HG3 GLU 136 HG3 GLU 136 13.096 -69.987 6.874 1134 H ILE 137 H ILE 137 13.507 -67.846 7.463 1135 HA ILE 137 HA ILE 137 14.768 -66.163 5.584 1136 HB ILE 137 HB ILE 137 16.851 -66.628 6.831 1137 HG12 ILE 137 HG12 ILE 137 16.179 -68.035 9.049 1138 HG13 ILE 137 HG13 ILE 137 15.195 -68.863 7.847 1139 HG21 ILE 137 HG21 ILE 137 14.732 -65.182 7.627 1140 HG22 ILE 137 HG22 ILE 137 16.245 -65.266 8.528 1141 HG23 ILE 137 HG23 ILE 137 14.881 -66.278 9.000 1142 HD11 ILE 137 HD11 ILE 137 16.992 -70.071 7.383 1143 HD12 ILE 137 HD12 ILE 137 18.034 -69.009 8.332 1144 HD13 ILE 137 HD13 ILE 137 17.679 -68.622 6.648 Start of MODEL 15 1 H1 GLY -2 H1 GLY -2 1.988 3.756 -20.082 2 H2 GLY -2 H2 GLY -2 2.677 2.675 -18.978 3 H3 GLY -2 H3 GLY -2 3.589 3.967 -19.579 4 HA2 GLY -2 HA2 GLY -2 1.656 3.904 -17.432 5 HA3 GLY -2 HA3 GLY -2 3.031 4.971 -17.670 6 H HIS -1 H HIS -1 -0.260 4.321 -18.814 7 HA HIS -1 HA HIS -1 -0.665 7.212 -19.050 8 HB2 HIS -1 HB2 HIS -1 -0.777 5.234 -21.234 9 HB3 HIS -1 HB3 HIS -1 -2.160 6.319 -21.148 10 HD1 HIS -1 HD1 HIS -1 -0.717 8.913 -20.323 11 HD2 HIS -1 HD2 HIS -1 0.617 6.338 -23.298 12 HE1 HIS -1 HE1 HIS -1 0.738 10.314 -21.821 13 HE2 HIS -1 HE2 HIS -1 1.604 8.713 -23.565 14 H MET 0 H MET 0 -2.955 7.820 -19.104 15 HA MET 0 HA MET 0 -5.053 7.779 -18.228 16 HB2 MET 0 HB2 MET 0 -4.923 5.624 -19.850 17 HB3 MET 0 HB3 MET 0 -5.273 4.828 -18.323 18 HG2 MET 0 HG2 MET 0 -7.373 5.185 -19.192 19 HG3 MET 0 HG3 MET 0 -7.170 6.567 -18.116 20 HE1 MET 0 HE1 MET 0 -9.402 6.522 -20.511 21 HE2 MET 0 HE2 MET 0 -8.335 5.389 -21.339 22 HE3 MET 0 HE3 MET 0 -8.767 6.918 -22.107 23 H MET 1 H MET 1 -4.770 8.392 -16.142 24 HA MET 1 HA MET 1 -3.908 6.444 -14.157 25 HB2 MET 1 HB2 MET 1 -3.551 9.179 -14.421 26 HB3 MET 1 HB3 MET 1 -4.747 9.047 -13.140 27 HG2 MET 1 HG2 MET 1 -3.185 7.390 -12.041 28 HG3 MET 1 HG3 MET 1 -1.976 7.898 -13.218 29 HE1 MET 1 HE1 MET 1 -2.267 10.574 -13.793 30 HE2 MET 1 HE2 MET 1 -0.723 10.618 -12.940 31 HE3 MET 1 HE3 MET 1 -1.995 11.767 -12.523 32 H SER 2 H SER 2 -5.161 5.652 -12.515 33 HA SER 2 HA SER 2 -8.014 6.379 -12.547 34 HB2 SER 2 HB2 SER 2 -6.736 3.709 -12.781 35 HB3 SER 2 HB3 SER 2 -8.170 3.813 -11.762 36 HG SER 2 HG SER 2 -9.193 4.858 -13.607 37 H LYS 3 H LYS 3 -9.062 5.229 -10.483 38 HA LYS 3 HA LYS 3 -7.428 6.111 -8.202 39 HB2 LYS 3 HB2 LYS 3 -10.399 6.027 -8.659 40 HB3 LYS 3 HB3 LYS 3 -9.729 6.152 -7.040 41 HG2 LYS 3 HG2 LYS 3 -8.772 8.071 -9.090 42 HG3 LYS 3 HG3 LYS 3 -10.401 8.281 -8.442 43 HD2 LYS 3 HD2 LYS 3 -9.649 8.889 -6.396 44 HD3 LYS 3 HD3 LYS 3 -8.277 7.780 -6.456 45 HE2 LYS 3 HE2 LYS 3 -8.234 10.089 -8.312 46 HE3 LYS 3 HE3 LYS 3 -8.004 10.433 -6.597 47 HZ1 LYS 3 HZ1 LYS 3 -6.287 8.951 -8.444 48 HZ2 LYS 3 HZ2 LYS 3 -6.320 8.446 -6.829 49 HZ3 LYS 3 HZ3 LYS 3 -5.869 10.029 -7.211 50 H LEU 4 H LEU 4 -6.441 4.439 -7.271 51 HA LEU 4 HA LEU 4 -8.072 2.108 -6.559 52 HB2 LEU 4 HB2 LEU 4 -6.476 0.544 -7.258 53 HB3 LEU 4 HB3 LEU 4 -6.610 1.680 -8.583 54 HG LEU 4 HG LEU 4 -4.324 1.296 -8.442 55 HD11 LEU 4 HD11 LEU 4 -4.930 3.722 -8.360 56 HD12 LEU 4 HD12 LEU 4 -3.318 3.334 -7.763 57 HD13 LEU 4 HD13 LEU 4 -4.621 3.673 -6.623 58 HD21 LEU 4 HD21 LEU 4 -3.172 0.638 -6.621 59 HD22 LEU 4 HD22 LEU 4 -4.783 0.281 -6.000 60 HD23 LEU 4 HD23 LEU 4 -3.981 1.787 -5.555 61 H PHE 5 H PHE 5 -6.453 4.610 -5.362 62 HA PHE 5 HA PHE 5 -4.864 3.280 -3.354 63 HB2 PHE 5 HB2 PHE 5 -4.570 5.674 -4.439 64 HB3 PHE 5 HB3 PHE 5 -5.649 6.156 -3.133 65 HD1 PHE 5 HD1 PHE 5 -2.571 4.105 -3.640 66 HD2 PHE 5 HD2 PHE 5 -4.690 6.849 -1.171 67 HE1 PHE 5 HE1 PHE 5 -0.656 4.192 -2.098 68 HE2 PHE 5 HE2 PHE 5 -2.777 6.941 0.375 69 HZ PHE 5 HZ PHE 5 -0.757 5.611 -0.088 70 H LEU 6 H LEU 6 -7.739 5.389 -3.261 71 HA LEU 6 HA LEU 6 -8.334 4.542 -0.558 72 HB2 LEU 6 HB2 LEU 6 -9.752 6.412 -2.452 73 HB3 LEU 6 HB3 LEU 6 -10.303 6.072 -0.823 74 HG LEU 6 HG LEU 6 -7.766 6.837 -0.301 75 HD11 LEU 6 HD11 LEU 6 -8.600 8.635 -2.561 76 HD12 LEU 6 HD12 LEU 6 -7.464 7.300 -2.766 77 HD13 LEU 6 HD13 LEU 6 -7.075 8.629 -1.673 78 HD21 LEU 6 HD21 LEU 6 -9.014 9.236 -0.226 79 HD22 LEU 6 HD22 LEU 6 -9.225 7.971 0.984 80 HD23 LEU 6 HD23 LEU 6 -10.398 8.147 -0.321 81 H ASP 7 H ASP 7 -9.425 3.885 -3.804 82 HA ASP 7 HA ASP 7 -11.916 2.747 -3.287 83 HB2 ASP 7 HB2 ASP 7 -10.475 3.184 -5.532 84 HB3 ASP 7 HB3 ASP 7 -10.271 1.441 -5.375 85 H GLU 8 H GLU 8 -8.718 1.515 -2.740 86 HA GLU 8 HA GLU 8 -9.743 -1.171 -2.199 87 HB2 GLU 8 HB2 GLU 8 -6.928 -0.086 -2.348 88 HB3 GLU 8 HB3 GLU 8 -7.317 -1.746 -1.924 89 HG2 GLU 8 HG2 GLU 8 -8.283 -0.548 -4.488 90 HG3 GLU 8 HG3 GLU 8 -6.653 -1.206 -4.343 91 H LEU 9 H LEU 9 -10.402 1.082 -0.472 92 HA LEU 9 HA LEU 9 -9.354 -0.021 2.032 93 HB2 LEU 9 HB2 LEU 9 -9.436 2.899 1.285 94 HB3 LEU 9 HB3 LEU 9 -9.252 2.332 2.934 95 HG LEU 9 HG LEU 9 -7.336 1.525 0.760 96 HD11 LEU 9 HD11 LEU 9 -5.933 3.370 2.063 97 HD12 LEU 9 HD12 LEU 9 -7.537 4.080 2.243 98 HD13 LEU 9 HD13 LEU 9 -6.896 3.747 0.635 99 HD21 LEU 9 HD21 LEU 9 -5.873 1.460 2.919 100 HD22 LEU 9 HD22 LEU 9 -6.977 0.134 2.560 101 HD23 LEU 9 HD23 LEU 9 -7.431 1.365 3.740 102 HA PRO 10 HA PRO 10 -13.447 -0.032 3.624 103 HB2 PRO 10 HB2 PRO 10 -12.495 1.646 5.893 104 HB3 PRO 10 HB3 PRO 10 -13.346 0.097 5.918 105 HG2 PRO 10 HG2 PRO 10 -10.743 0.221 6.457 106 HG3 PRO 10 HG3 PRO 10 -11.415 -1.122 5.512 107 HD2 PRO 10 HD2 PRO 10 -9.859 1.256 4.592 108 HD3 PRO 10 HD3 PRO 10 -9.821 -0.418 3.999 109 H GLU 11 H GLU 11 -15.017 1.635 4.887 110 HA GLU 11 HA GLU 11 -15.274 3.875 3.058 111 HB2 GLU 11 HB2 GLU 11 -17.473 4.202 4.206 112 HB3 GLU 11 HB3 GLU 11 -17.277 2.619 3.464 113 HG2 GLU 11 HG2 GLU 11 -17.722 1.641 5.390 114 HG3 GLU 11 HG3 GLU 11 -16.352 2.457 6.141 115 H SER 12 H SER 12 -14.555 3.263 6.423 116 HA SER 12 HA SER 12 -14.794 5.989 7.263 117 HB2 SER 12 HB2 SER 12 -14.957 3.882 8.728 118 HB3 SER 12 HB3 SER 12 -13.194 3.869 8.688 119 HG SER 12 HG SER 12 -13.534 5.114 10.389 120 H LEU 13 H LEU 13 -12.106 3.867 6.363 121 HA LEU 13 HA LEU 13 -10.027 5.670 6.944 122 HB2 LEU 13 HB2 LEU 13 -10.255 3.310 5.099 123 HB3 LEU 13 HB3 LEU 13 -8.785 4.264 5.171 124 HG LEU 13 HG LEU 13 -8.717 2.210 6.568 125 HD11 LEU 13 HD11 LEU 13 -7.141 3.614 7.375 126 HD12 LEU 13 HD12 LEU 13 -8.221 3.647 8.769 127 HD13 LEU 13 HD13 LEU 13 -8.274 4.949 7.580 128 HD21 LEU 13 HD21 LEU 13 -10.706 3.623 8.332 129 HD22 LEU 13 HD22 LEU 13 -10.030 2.007 8.540 130 HD23 LEU 13 HD23 LEU 13 -11.142 2.332 7.211 131 H SER 14 H SER 14 -11.713 4.981 3.888 132 HA SER 14 HA SER 14 -10.318 6.710 2.232 133 HB2 SER 14 HB2 SER 14 -12.010 5.055 1.466 134 HB3 SER 14 HB3 SER 14 -13.281 6.107 2.090 135 HG SER 14 HG SER 14 -12.384 7.744 0.648 136 H ARG 15 H ARG 15 -12.639 7.431 4.701 137 HA ARG 15 HA ARG 15 -13.226 10.085 3.764 138 HB2 ARG 15 HB2 ARG 15 -13.915 8.474 6.183 139 HB3 ARG 15 HB3 ARG 15 -14.107 10.220 6.249 140 HG2 ARG 15 HG2 ARG 15 -15.567 10.110 4.270 141 HG3 ARG 15 HG3 ARG 15 -15.412 8.352 4.282 142 HD2 ARG 15 HD2 ARG 15 -16.149 8.945 6.872 143 HD3 ARG 15 HD3 ARG 15 -17.078 10.096 5.914 144 HE ARG 15 HE ARG 15 -17.447 7.251 6.040 145 HH11 ARG 15 HH11 ARG 15 -17.928 10.110 4.095 146 HH12 ARG 15 HH12 ARG 15 -19.248 9.431 3.202 147 HH21 ARG 15 HH21 ARG 15 -19.180 6.357 4.864 148 HH22 ARG 15 HH22 ARG 15 -19.959 7.300 3.639 149 H LYS 16 H LYS 16 -11.245 8.688 6.360 150 HA LYS 16 HA LYS 16 -10.271 11.236 7.235 151 HB2 LYS 16 HB2 LYS 16 -9.932 8.423 8.007 152 HB3 LYS 16 HB3 LYS 16 -8.488 9.400 8.230 153 HG2 LYS 16 HG2 LYS 16 -9.349 10.000 10.183 154 HG3 LYS 16 HG3 LYS 16 -10.496 10.980 9.269 155 HD2 LYS 16 HD2 LYS 16 -12.109 9.759 10.211 156 HD3 LYS 16 HD3 LYS 16 -11.575 8.427 9.183 157 HE2 LYS 16 HE2 LYS 16 -11.696 7.701 11.491 158 HE3 LYS 16 HE3 LYS 16 -10.020 7.713 10.946 159 HZ1 LYS 16 HZ1 LYS 16 -9.718 8.816 12.867 160 HZ2 LYS 16 HZ2 LYS 16 -11.324 9.342 12.964 161 HZ3 LYS 16 HZ3 LYS 16 -10.225 10.158 11.972 162 H ILE 17 H ILE 17 -9.137 8.721 5.061 163 HA ILE 17 HA ILE 17 -6.534 9.908 4.726 164 HB ILE 17 HB ILE 17 -7.879 7.773 3.064 165 HG12 ILE 17 HG12 ILE 17 -5.935 7.523 5.371 166 HG13 ILE 17 HG13 ILE 17 -7.648 7.117 5.427 167 HG21 ILE 17 HG21 ILE 17 -5.258 9.092 2.944 168 HG22 ILE 17 HG22 ILE 17 -6.164 8.244 1.691 169 HG23 ILE 17 HG23 ILE 17 -5.213 7.331 2.861 170 HD11 ILE 17 HD11 ILE 17 -5.834 5.794 3.455 171 HD12 ILE 17 HD12 ILE 17 -7.370 5.231 4.116 172 HD13 ILE 17 HD13 ILE 17 -5.924 5.235 5.127 173 H GLY 18 H GLY 18 -9.523 9.689 2.824 174 HA2 GLY 18 HA2 GLY 18 -8.602 11.019 0.532 175 HA3 GLY 18 HA3 GLY 18 -10.281 10.913 1.037 176 H THR 19 H THR 19 -9.563 12.266 3.632 177 HA THR 19 HA THR 19 -9.976 14.952 2.678 178 HB THR 19 HB THR 19 -11.201 14.147 4.631 179 HG1 THR 19 HG1 THR 19 -9.338 16.167 5.327 180 HG21 THR 19 HG21 THR 19 -9.950 14.020 6.822 181 HG22 THR 19 HG22 THR 19 -8.487 13.828 5.858 182 HG23 THR 19 HG23 THR 19 -9.787 12.644 5.733 183 H VAL 20 H VAL 20 -7.388 13.165 4.272 184 HA VAL 20 HA VAL 20 -5.720 15.495 4.565 185 HB VAL 20 HB VAL 20 -5.573 13.632 6.165 186 HG11 VAL 20 HG11 VAL 20 -4.410 12.077 3.856 187 HG12 VAL 20 HG12 VAL 20 -5.975 11.787 4.615 188 HG13 VAL 20 HG13 VAL 20 -4.491 11.536 5.534 189 HG21 VAL 20 HG21 VAL 20 -2.949 13.799 4.723 190 HG22 VAL 20 HG22 VAL 20 -3.257 13.724 6.458 191 HG23 VAL 20 HG23 VAL 20 -3.632 15.194 5.558 192 H VAL 21 H VAL 21 -5.898 12.722 2.377 193 HA VAL 21 HA VAL 21 -3.522 13.065 0.984 194 HB VAL 21 HB VAL 21 -6.183 12.109 -0.087 195 HG11 VAL 21 HG11 VAL 21 -4.127 10.862 -1.489 196 HG12 VAL 21 HG12 VAL 21 -3.656 12.560 -1.414 197 HG13 VAL 21 HG13 VAL 21 -5.218 12.107 -2.094 198 HG21 VAL 21 HG21 VAL 21 -5.736 10.068 0.760 199 HG22 VAL 21 HG22 VAL 21 -4.733 10.978 1.890 200 HG23 VAL 21 HG23 VAL 21 -4.000 10.214 0.479 201 H ARG 22 H ARG 22 -6.495 14.877 0.806 202 HA ARG 22 HA ARG 22 -6.227 16.099 -1.679 203 HB2 ARG 22 HB2 ARG 22 -7.759 16.532 0.742 204 HB3 ARG 22 HB3 ARG 22 -7.286 18.061 0.016 205 HG2 ARG 22 HG2 ARG 22 -8.273 17.340 -2.113 206 HG3 ARG 22 HG3 ARG 22 -8.779 15.831 -1.352 207 HD2 ARG 22 HD2 ARG 22 -10.661 16.844 -0.746 208 HD3 ARG 22 HD3 ARG 22 -9.707 17.863 0.330 209 HE ARG 22 HE ARG 22 -10.099 19.605 -1.082 210 HH11 ARG 22 HH11 ARG 22 -10.547 16.640 -2.867 211 HH12 ARG 22 HH12 ARG 22 -11.088 17.440 -4.305 212 HH21 ARG 22 HH21 ARG 22 -10.812 20.660 -2.970 213 HH22 ARG 22 HH22 ARG 22 -11.239 19.722 -4.364 214 H VAL 23 H VAL 23 -4.610 16.738 1.348 215 HA VAL 23 HA VAL 23 -3.471 19.239 0.487 216 HB VAL 23 HB VAL 23 -2.719 17.511 2.850 217 HG11 VAL 23 HG11 VAL 23 -1.752 20.092 1.830 218 HG12 VAL 23 HG12 VAL 23 -0.963 18.918 2.884 219 HG13 VAL 23 HG13 VAL 23 -2.129 20.061 3.553 220 HG21 VAL 23 HG21 VAL 23 -4.338 19.993 3.106 221 HG22 VAL 23 HG22 VAL 23 -4.312 18.550 4.120 222 HG23 VAL 23 HG23 VAL 23 -5.139 18.518 2.562 223 H LEU 24 H LEU 24 -2.207 15.965 1.097 224 HA LEU 24 HA LEU 24 0.142 16.653 -0.536 225 HB2 LEU 24 HB2 LEU 24 -0.118 15.418 2.048 226 HB3 LEU 24 HB3 LEU 24 0.679 14.319 0.940 227 HG LEU 24 HG LEU 24 2.285 16.158 0.392 228 HD11 LEU 24 HD11 LEU 24 2.380 17.904 2.315 229 HD12 LEU 24 HD12 LEU 24 0.666 17.530 2.483 230 HD13 LEU 24 HD13 LEU 24 1.285 18.151 0.954 231 HD21 LEU 24 HD21 LEU 24 3.643 15.234 1.893 232 HD22 LEU 24 HD22 LEU 24 2.232 14.397 2.544 233 HD23 LEU 24 HD23 LEU 24 2.742 15.938 3.234 234 HA PRO 25 HA PRO 25 -2.188 13.351 -2.820 235 HB2 PRO 25 HB2 PRO 25 -2.291 14.591 -5.205 236 HB3 PRO 25 HB3 PRO 25 -3.468 14.926 -3.928 237 HG2 PRO 25 HG2 PRO 25 -1.046 16.493 -4.731 238 HG3 PRO 25 HG3 PRO 25 -2.670 17.075 -4.320 239 HD2 PRO 25 HD2 PRO 25 -0.571 17.105 -2.572 240 HD3 PRO 25 HD3 PRO 25 -2.266 16.977 -2.062 241 H SER 26 H SER 26 0.744 15.135 -3.315 242 HA SER 26 HA SER 26 1.752 13.237 -5.283 243 HB2 SER 26 HB2 SER 26 2.144 15.896 -5.080 244 HB3 SER 26 HB3 SER 26 3.543 15.326 -4.171 245 HG SER 26 HG SER 26 4.070 15.496 -6.354 246 H SER 27 H SER 27 2.282 14.209 -1.932 247 HA SER 27 HA SER 27 4.614 12.724 -1.450 248 HB2 SER 27 HB2 SER 27 4.109 14.255 0.234 249 HB3 SER 27 HB3 SER 27 2.415 13.768 0.305 250 HG SER 27 HG SER 27 3.976 13.046 2.039 251 H LEU 28 H LEU 28 1.209 11.830 -1.316 252 HA LEU 28 HA LEU 28 1.390 9.353 -0.089 253 HB2 LEU 28 HB2 LEU 28 -0.713 8.829 -1.070 254 HB3 LEU 28 HB3 LEU 28 -0.710 10.546 -0.719 255 HG LEU 28 HG LEU 28 0.044 10.748 -3.232 256 HD11 LEU 28 HD11 LEU 28 -0.931 7.964 -2.979 257 HD12 LEU 28 HD12 LEU 28 0.269 8.655 -4.072 258 HD13 LEU 28 HD13 LEU 28 -1.450 8.883 -4.392 259 HD21 LEU 28 HD21 LEU 28 -2.153 11.279 -3.785 260 HD22 LEU 28 HD22 LEU 28 -2.112 11.476 -2.033 261 HD23 LEU 28 HD23 LEU 28 -2.820 10.023 -2.741 262 H GLU 29 H GLU 29 2.283 10.302 -3.319 263 HA GLU 29 HA GLU 29 2.318 7.829 -4.602 264 HB2 GLU 29 HB2 GLU 29 4.128 10.222 -4.956 265 HB3 GLU 29 HB3 GLU 29 4.098 8.844 -6.048 266 HG2 GLU 29 HG2 GLU 29 2.021 9.376 -6.884 267 HG3 GLU 29 HG3 GLU 29 1.571 10.311 -5.458 268 H ILE 30 H ILE 30 4.792 9.395 -2.609 269 HA ILE 30 HA ILE 30 6.753 7.371 -2.939 270 HB ILE 30 HB ILE 30 6.483 9.280 -0.615 271 HG12 ILE 30 HG12 ILE 30 8.373 10.382 -2.227 272 HG13 ILE 30 HG13 ILE 30 7.286 9.695 -3.430 273 HG21 ILE 30 HG21 ILE 30 9.002 9.026 -0.620 274 HG22 ILE 30 HG22 ILE 30 8.768 7.664 -1.716 275 HG23 ILE 30 HG23 ILE 30 8.080 7.618 -0.092 276 HD11 ILE 30 HD11 ILE 30 7.007 12.147 -2.393 277 HD12 ILE 30 HD12 ILE 30 6.005 11.228 -1.269 278 HD13 ILE 30 HD13 ILE 30 5.659 11.184 -2.998 279 H PHE 31 H PHE 31 4.060 7.810 -0.761 280 HA PHE 31 HA PHE 31 4.861 5.729 1.049 281 HB2 PHE 31 HB2 PHE 31 2.256 7.229 0.724 282 HB3 PHE 31 HB3 PHE 31 2.566 6.054 1.999 283 HD1 PHE 31 HD1 PHE 31 5.281 6.677 2.818 284 HD2 PHE 31 HD2 PHE 31 2.103 9.291 1.744 285 HE1 PHE 31 HE1 PHE 31 6.275 8.448 4.206 286 HE2 PHE 31 HE2 PHE 31 3.089 11.069 3.127 287 HZ PHE 31 HZ PHE 31 5.179 10.648 4.362 288 H GLU 32 H GLU 32 2.972 5.967 -1.860 289 HA GLU 32 HA GLU 32 1.428 3.642 -1.636 290 HB2 GLU 32 HB2 GLU 32 1.059 5.356 -3.361 291 HB3 GLU 32 HB3 GLU 32 2.578 4.911 -4.128 292 HG2 GLU 32 HG2 GLU 32 1.209 2.521 -3.963 293 HG3 GLU 32 HG3 GLU 32 -0.045 3.699 -4.347 294 H GLU 33 H GLU 33 4.622 4.129 -3.138 295 HA GLU 33 HA GLU 33 5.048 1.492 -3.954 296 HB2 GLU 33 HB2 GLU 33 6.441 3.397 -4.672 297 HB3 GLU 33 HB3 GLU 33 7.105 3.518 -3.049 298 HG2 GLU 33 HG2 GLU 33 8.731 2.184 -3.735 299 HG3 GLU 33 HG3 GLU 33 7.543 0.880 -3.744 300 H LEU 34 H LEU 34 6.031 3.124 -0.957 301 HA LEU 34 HA LEU 34 7.186 0.838 0.245 302 HB2 LEU 34 HB2 LEU 34 7.938 2.692 1.313 303 HB3 LEU 34 HB3 LEU 34 6.455 3.581 1.041 304 HG LEU 34 HG LEU 34 7.070 3.154 3.446 305 HD11 LEU 34 HD11 LEU 34 4.436 1.884 3.064 306 HD12 LEU 34 HD12 LEU 34 4.674 3.454 2.295 307 HD13 LEU 34 HD13 LEU 34 4.899 3.280 4.036 308 HD21 LEU 34 HD21 LEU 34 7.366 0.529 2.573 309 HD22 LEU 34 HD22 LEU 34 5.888 0.521 3.536 310 HD23 LEU 34 HD23 LEU 34 7.395 1.105 4.240 311 H TYR 35 H TYR 35 3.958 2.221 0.250 312 HA TYR 35 HA TYR 35 2.816 0.611 2.249 313 HB2 TYR 35 HB2 TYR 35 1.473 2.410 1.711 314 HB3 TYR 35 HB3 TYR 35 1.787 2.266 -0.011 315 HD1 TYR 35 HD1 TYR 35 0.454 -0.257 2.395 316 HD2 TYR 35 HD2 TYR 35 -0.292 2.166 -1.022 317 HE1 TYR 35 HE1 TYR 35 -1.721 -1.365 2.093 318 HE2 TYR 35 HE2 TYR 35 -2.471 1.065 -1.332 319 HH TYR 35 HH TYR 35 -4.100 -0.185 -0.078 320 H LYS 36 H LYS 36 3.060 0.185 -1.263 321 HA LYS 36 HA LYS 36 1.720 -2.362 -1.205 322 HB2 LYS 36 HB2 LYS 36 2.100 -0.508 -3.150 323 HB3 LYS 36 HB3 LYS 36 3.359 -1.664 -3.562 324 HG2 LYS 36 HG2 LYS 36 1.890 -3.228 -4.241 325 HG3 LYS 36 HG3 LYS 36 0.709 -2.814 -2.996 326 HD2 LYS 36 HD2 LYS 36 -0.334 -1.286 -4.307 327 HD3 LYS 36 HD3 LYS 36 1.162 -0.789 -5.100 328 HE2 LYS 36 HE2 LYS 36 1.114 -2.645 -6.563 329 HE3 LYS 36 HE3 LYS 36 -0.139 -3.450 -5.620 330 HZ1 LYS 36 HZ1 LYS 36 -1.449 -1.271 -6.234 331 HZ2 LYS 36 HZ2 LYS 36 -1.392 -2.592 -7.290 332 HZ3 LYS 36 HZ3 LYS 36 -0.379 -1.263 -7.545 333 H TYR 37 H TYR 37 5.004 -1.202 -1.109 334 HA TYR 37 HA TYR 37 6.366 -3.535 -1.839 335 HB2 TYR 37 HB2 TYR 37 7.566 -1.463 -1.671 336 HB3 TYR 37 HB3 TYR 37 7.135 -1.282 0.024 337 HD1 TYR 37 HD1 TYR 37 8.241 -2.644 1.739 338 HD2 TYR 37 HD2 TYR 37 9.383 -2.896 -2.352 339 HE1 TYR 37 HE1 TYR 37 10.323 -3.774 2.395 340 HE2 TYR 37 HE2 TYR 37 11.467 -4.026 -1.707 341 HH TYR 37 HH TYR 37 12.705 -4.021 1.313 342 H ALA 38 H ALA 38 5.399 -2.377 1.386 343 HA ALA 38 HA ALA 38 6.396 -4.573 2.827 344 HB1 ALA 38 HB1 ALA 38 4.205 -2.609 3.460 345 HB2 ALA 38 HB2 ALA 38 5.884 -2.569 4.000 346 HB3 ALA 38 HB3 ALA 38 4.792 -3.817 4.603 347 H LEU 39 H LEU 39 3.466 -4.125 1.003 348 HA LEU 39 HA LEU 39 1.999 -6.272 2.158 349 HB2 LEU 39 HB2 LEU 39 1.544 -4.256 0.237 350 HB3 LEU 39 HB3 LEU 39 1.243 -5.782 -0.571 351 HG LEU 39 HG LEU 39 -0.017 -5.158 2.084 352 HD11 LEU 39 HD11 LEU 39 -0.670 -3.320 0.711 353 HD12 LEU 39 HD12 LEU 39 -2.022 -4.450 0.776 354 HD13 LEU 39 HD13 LEU 39 -0.996 -4.384 -0.657 355 HD21 LEU 39 HD21 LEU 39 -0.279 -7.214 -0.024 356 HD22 LEU 39 HD22 LEU 39 -1.772 -6.662 0.736 357 HD23 LEU 39 HD23 LEU 39 -0.482 -7.344 1.723 358 H ASN 40 H ASN 40 4.382 -6.028 -0.371 359 HA ASN 40 HA ASN 40 3.886 -8.470 -1.679 360 HB2 ASN 40 HB2 ASN 40 5.841 -6.384 -1.792 361 HB3 ASN 40 HB3 ASN 40 6.678 -7.934 -1.756 362 HD21 ASN 40 HD21 ASN 40 4.047 -6.216 -3.375 363 HD22 ASN 40 HD22 ASN 40 4.263 -6.973 -4.913 364 H GLU 41 H GLU 41 5.510 -7.702 1.298 365 HA GLU 41 HA GLU 41 7.122 -9.939 1.636 366 HB2 GLU 41 HB2 GLU 41 6.007 -7.855 3.324 367 HB3 GLU 41 HB3 GLU 41 6.121 -9.387 4.179 368 HG2 GLU 41 HG2 GLU 41 8.424 -9.473 3.983 369 HG3 GLU 41 HG3 GLU 41 8.452 -8.346 2.628 370 H ASN 42 H ASN 42 3.664 -9.572 2.018 371 HA ASN 42 HA ASN 42 3.299 -12.106 3.322 372 HB2 ASN 42 HB2 ASN 42 1.567 -9.895 2.401 373 HB3 ASN 42 HB3 ASN 42 0.823 -11.491 2.413 374 HD21 ASN 42 HD21 ASN 42 3.079 -9.732 4.518 375 HD22 ASN 42 HD22 ASN 42 2.200 -10.016 5.979 376 H SER 43 H SER 43 2.898 -10.846 0.052 377 HA SER 43 HA SER 43 2.629 -11.859 -1.967 378 HB2 SER 43 HB2 SER 43 4.353 -13.694 -0.409 379 HB3 SER 43 HB3 SER 43 3.605 -14.380 -1.854 380 HG SER 43 HG SER 43 4.807 -13.135 -3.077 381 H ASN 44 H ASN 44 0.518 -12.124 -2.391 382 HA ASN 44 HA ASN 44 -0.967 -14.276 -1.090 383 HB2 ASN 44 HB2 ASN 44 -1.740 -11.769 -1.571 384 HB3 ASN 44 HB3 ASN 44 -2.247 -12.486 -3.098 385 HD21 ASN 44 HD21 ASN 44 -3.911 -13.969 -3.125 386 HD22 ASN 44 HD22 ASN 44 -4.954 -14.223 -1.772 387 H ASP 45 H ASP 45 -2.019 -15.921 -2.220 388 HA ASP 45 HA ASP 45 -1.353 -16.202 -5.066 389 HB2 ASP 45 HB2 ASP 45 0.182 -17.521 -3.433 390 HB3 ASP 45 HB3 ASP 45 -1.211 -18.579 -3.234 391 H ARG 46 H ARG 46 -3.201 -16.362 -6.138 392 HA ARG 46 HA ARG 46 -5.330 -16.913 -6.723 393 HB2 ARG 46 HB2 ARG 46 -4.251 -19.242 -5.346 394 HB3 ARG 46 HB3 ARG 46 -6.002 -19.150 -5.219 395 HG2 ARG 46 HG2 ARG 46 -4.951 -18.653 -7.909 396 HG3 ARG 46 HG3 ARG 46 -4.648 -20.274 -7.283 397 HD2 ARG 46 HD2 ARG 46 -6.828 -20.846 -7.347 398 HD3 ARG 46 HD3 ARG 46 -7.369 -19.245 -6.848 399 HE ARG 46 HE ARG 46 -7.073 -20.218 -9.536 400 HH11 ARG 46 HH11 ARG 46 -7.167 -17.372 -7.519 401 HH12 ARG 46 HH12 ARG 46 -7.646 -16.321 -8.809 402 HH21 ARG 46 HH21 ARG 46 -7.705 -18.839 -11.233 403 HH22 ARG 46 HH22 ARG 46 -7.954 -17.154 -10.919 404 H SER 47 H SER 47 -7.548 -17.728 -5.566 405 HA SER 47 HA SER 47 -7.851 -16.529 -2.938 406 HB2 SER 47 HB2 SER 47 -8.125 -14.613 -4.458 407 HB3 SER 47 HB3 SER 47 -9.387 -15.483 -5.330 408 HG SER 47 HG SER 47 -10.436 -14.212 -3.880 409 H GLU 48 H GLU 48 -9.533 -17.920 -5.742 410 HA GLU 48 HA GLU 48 -11.341 -19.311 -3.882 411 HB2 GLU 48 HB2 GLU 48 -11.670 -18.442 -6.743 412 HB3 GLU 48 HB3 GLU 48 -12.709 -19.670 -6.035 413 HG2 GLU 48 HG2 GLU 48 -13.118 -17.908 -4.185 414 HG3 GLU 48 HG3 GLU 48 -12.503 -16.766 -5.381 415 H HIS 49 H HIS 49 -9.694 -20.915 -3.479 416 HA HIS 49 HA HIS 49 -8.632 -22.527 -5.566 417 HB2 HIS 49 HB2 HIS 49 -8.656 -22.608 -2.593 418 HB3 HIS 49 HB3 HIS 49 -8.331 -24.121 -3.433 419 HD1 HIS 49 HD1 HIS 49 -5.928 -23.810 -2.228 420 HD2 HIS 49 HD2 HIS 49 -6.823 -21.165 -5.305 421 HE1 HIS 49 HE1 HIS 49 -3.726 -22.809 -2.914 422 HE2 HIS 49 HE2 HIS 49 -4.282 -21.279 -4.838 423 H HIS 50 H HIS 50 -11.363 -22.886 -3.345 424 HA HIS 50 HA HIS 50 -13.174 -24.259 -3.359 425 HB2 HIS 50 HB2 HIS 50 -12.411 -24.270 -6.266 426 HB3 HIS 50 HB3 HIS 50 -13.755 -25.245 -5.684 427 HD1 HIS 50 HD1 HIS 50 -13.369 -22.025 -3.958 428 HD2 HIS 50 HD2 HIS 50 -15.389 -23.488 -7.282 429 HE1 HIS 50 HE1 HIS 50 -15.087 -20.278 -4.525 430 HE2 HIS 50 HE2 HIS 50 -16.354 -21.225 -6.486 431 H LYS 51 H LYS 51 -11.754 -25.622 -1.983 432 HA LYS 51 HA LYS 51 -11.725 -28.324 -3.024 433 HB2 LYS 51 HB2 LYS 51 -9.248 -26.793 -2.386 434 HB3 LYS 51 HB3 LYS 51 -9.307 -28.492 -1.937 435 HG2 LYS 51 HG2 LYS 51 -9.685 -29.139 -4.217 436 HG3 LYS 51 HG3 LYS 51 -9.821 -27.452 -4.713 437 HD2 LYS 51 HD2 LYS 51 -7.585 -27.133 -4.710 438 HD3 LYS 51 HD3 LYS 51 -7.339 -28.160 -3.295 439 HE2 LYS 51 HE2 LYS 51 -7.884 -29.136 -6.096 440 HE3 LYS 51 HE3 LYS 51 -6.302 -29.097 -5.317 441 HZ1 LYS 51 HZ1 LYS 51 -8.450 -30.986 -5.014 442 HZ2 LYS 51 HZ2 LYS 51 -7.821 -30.451 -3.537 443 HZ3 LYS 51 HZ3 LYS 51 -6.801 -31.163 -4.683 444 H LYS 52 H LYS 52 -11.308 -29.931 -1.311 445 HA LYS 52 HA LYS 52 -12.284 -28.926 1.270 446 HB2 LYS 52 HB2 LYS 52 -12.346 -31.725 0.128 447 HB3 LYS 52 HB3 LYS 52 -12.993 -31.253 1.693 448 HG2 LYS 52 HG2 LYS 52 -14.932 -30.956 0.654 449 HG3 LYS 52 HG3 LYS 52 -14.217 -29.505 -0.049 450 HD2 LYS 52 HD2 LYS 52 -14.067 -30.427 -2.091 451 HD3 LYS 52 HD3 LYS 52 -13.517 -31.978 -1.454 452 HE2 LYS 52 HE2 LYS 52 -15.535 -32.698 -2.139 453 HE3 LYS 52 HE3 LYS 52 -16.093 -31.982 -0.629 454 HZ1 LYS 52 HZ1 LYS 52 -17.146 -31.384 -2.975 455 HZ2 LYS 52 HZ2 LYS 52 -15.931 -30.207 -2.932 456 HZ3 LYS 52 HZ3 LYS 52 -17.085 -30.276 -1.698 457 HA PRO 53 HA PRO 53 -8.392 -29.620 3.255 458 HB2 PRO 53 HB2 PRO 53 -10.035 -30.642 5.516 459 HB3 PRO 53 HB3 PRO 53 -8.796 -29.382 5.504 460 HG2 PRO 53 HG2 PRO 53 -11.377 -28.747 5.659 461 HG3 PRO 53 HG3 PRO 53 -10.253 -27.771 4.692 462 HD2 PRO 53 HD2 PRO 53 -12.286 -29.768 3.796 463 HD3 PRO 53 HD3 PRO 53 -11.795 -28.237 3.041 464 H ARG 54 H ARG 54 -7.005 -31.303 3.849 465 HA ARG 54 HA ARG 54 -7.656 -33.863 2.782 466 HB2 ARG 54 HB2 ARG 54 -5.404 -34.511 3.576 467 HB3 ARG 54 HB3 ARG 54 -5.389 -33.026 2.636 468 HG2 ARG 54 HG2 ARG 54 -4.109 -32.272 4.314 469 HG3 ARG 54 HG3 ARG 54 -5.656 -32.022 5.126 470 HD2 ARG 54 HD2 ARG 54 -5.415 -33.903 6.448 471 HD3 ARG 54 HD3 ARG 54 -4.277 -34.663 5.338 472 HE ARG 54 HE ARG 54 -2.921 -32.495 6.199 473 HH11 ARG 54 HH11 ARG 54 -4.616 -35.047 7.872 474 HH12 ARG 54 HH12 ARG 54 -3.591 -34.983 9.265 475 HH21 ARG 54 HH21 ARG 54 -1.571 -32.411 8.032 476 HH22 ARG 54 HH22 ARG 54 -1.863 -33.487 9.358 477 H ILE 55 H ILE 55 -7.585 -35.893 3.928 478 HA ILE 55 HA ILE 55 -8.274 -35.689 6.781 479 HB ILE 55 HB ILE 55 -10.347 -35.976 5.489 480 HG12 ILE 55 HG12 ILE 55 -11.143 -38.056 6.646 481 HG13 ILE 55 HG13 ILE 55 -9.477 -38.374 7.115 482 HG21 ILE 55 HG21 ILE 55 -10.690 -38.223 4.373 483 HG22 ILE 55 HG22 ILE 55 -8.938 -38.414 4.439 484 HG23 ILE 55 HG23 ILE 55 -9.646 -37.079 3.530 485 HD11 ILE 55 HD11 ILE 55 -10.942 -35.857 7.846 486 HD12 ILE 55 HD12 ILE 55 -9.410 -36.447 8.488 487 HD13 ILE 55 HD13 ILE 55 -10.908 -37.299 8.861 488 H ASP 56 H ASP 56 -7.686 -37.444 8.075 489 HA ASP 56 HA ASP 56 -5.364 -38.851 7.236 490 HB2 ASP 56 HB2 ASP 56 -5.485 -39.933 9.451 491 HB3 ASP 56 HB3 ASP 56 -5.663 -38.185 9.564 492 H ASP 57 H ASP 57 -5.443 -40.471 5.823 493 HA ASP 57 HA ASP 57 -6.986 -42.818 6.401 494 HB2 ASP 57 HB2 ASP 57 -7.881 -40.905 4.329 495 HB3 ASP 57 HB3 ASP 57 -7.851 -42.597 3.842 496 H SER 58 H SER 58 -6.348 -44.634 5.157 497 HA SER 58 HA SER 58 -3.936 -44.199 3.522 498 HB2 SER 58 HB2 SER 58 -4.451 -46.510 5.410 499 HB3 SER 58 HB3 SER 58 -3.013 -46.287 4.413 500 HG SER 58 HG SER 58 -2.473 -44.497 5.622 501 H SER 59 H SER 59 -6.698 -44.430 2.653 502 HA SER 59 HA SER 59 -6.498 -46.930 1.104 503 HB2 SER 59 HB2 SER 59 -9.038 -45.516 1.953 504 HB3 SER 59 HB3 SER 59 -8.939 -47.022 1.040 505 HG SER 59 HG SER 59 -9.213 -47.644 3.115 506 H ASP 60 H ASP 60 -5.393 -44.335 0.430 507 HA ASP 60 HA ASP 60 -6.900 -43.851 -2.049 508 HB2 ASP 60 HB2 ASP 60 -6.922 -42.029 -0.101 509 HB3 ASP 60 HB3 ASP 60 -5.384 -41.590 -0.839 510 H LEU 61 H LEU 61 -3.774 -43.496 -0.401 511 HA LEU 61 HA LEU 61 -2.458 -44.070 -2.969 512 HB2 LEU 61 HB2 LEU 61 -2.046 -41.796 -1.123 513 HB3 LEU 61 HB3 LEU 61 -0.590 -42.547 -1.747 514 HG LEU 61 HG LEU 61 -2.727 -41.790 -3.683 515 HD11 LEU 61 HD11 LEU 61 -0.720 -39.809 -2.631 516 HD12 LEU 61 HD12 LEU 61 -2.412 -39.851 -2.132 517 HD13 LEU 61 HD13 LEU 61 -1.996 -39.530 -3.816 518 HD21 LEU 61 HD21 LEU 61 0.140 -41.259 -4.132 519 HD22 LEU 61 HD22 LEU 61 -1.074 -41.939 -5.215 520 HD23 LEU 61 HD23 LEU 61 -0.325 -42.955 -3.983 521 H LEU 62 H LEU 62 0.085 -44.345 -2.305 522 HA LEU 62 HA LEU 62 0.444 -45.827 0.137 523 HB2 LEU 62 HB2 LEU 62 1.160 -47.912 -1.043 524 HB3 LEU 62 HB3 LEU 62 -0.562 -47.590 -1.100 525 HG LEU 62 HG LEU 62 1.101 -46.657 -3.385 526 HD11 LEU 62 HD11 LEU 62 0.628 -49.495 -2.641 527 HD12 LEU 62 HD12 LEU 62 2.004 -48.753 -3.458 528 HD13 LEU 62 HD13 LEU 62 0.502 -49.039 -4.340 529 HD21 LEU 62 HD21 LEU 62 -0.932 -47.264 -4.625 530 HD22 LEU 62 HD22 LEU 62 -1.267 -46.128 -3.318 531 HD23 LEU 62 HD23 LEU 62 -1.664 -47.836 -3.126 532 H LYS 63 H LYS 63 2.000 -44.103 0.322 533 HA LYS 63 HA LYS 63 4.288 -44.208 -1.484 534 HB2 LYS 63 HB2 LYS 63 3.168 -42.248 0.397 535 HB3 LYS 63 HB3 LYS 63 4.924 -42.346 0.425 536 HG2 LYS 63 HG2 LYS 63 3.367 -42.011 -2.121 537 HG3 LYS 63 HG3 LYS 63 3.904 -40.645 -1.140 538 HD2 LYS 63 HD2 LYS 63 6.142 -41.046 -1.574 539 HD3 LYS 63 HD3 LYS 63 5.866 -42.744 -1.964 540 HE2 LYS 63 HE2 LYS 63 5.501 -42.297 -4.126 541 HE3 LYS 63 HE3 LYS 63 4.460 -40.924 -3.752 542 HZ1 LYS 63 HZ1 LYS 63 6.840 -40.685 -4.902 543 HZ2 LYS 63 HZ2 LYS 63 7.299 -40.531 -3.280 544 HZ3 LYS 63 HZ3 LYS 63 6.154 -39.475 -3.939 545 H THR 64 H THR 64 3.859 -44.127 2.060 546 HA THR 64 HA THR 64 5.997 -46.131 2.286 547 HB THR 64 HB THR 64 7.021 -43.972 2.741 548 HG1 THR 64 HG1 THR 64 7.764 -44.430 4.833 549 HG21 THR 64 HG21 THR 64 5.071 -42.685 3.406 550 HG22 THR 64 HG22 THR 64 6.344 -42.590 4.623 551 HG23 THR 64 HG23 THR 64 4.945 -43.630 4.890 552 H ASP 65 H ASP 65 5.982 -47.315 4.309 553 HA ASP 65 HA ASP 65 3.298 -47.919 5.149 554 HB2 ASP 65 HB2 ASP 65 5.593 -49.396 4.928 555 HB3 ASP 65 HB3 ASP 65 5.503 -49.139 6.668 556 H GLU 66 H GLU 66 2.987 -48.330 7.606 557 HA GLU 66 HA GLU 66 4.327 -46.493 9.366 558 HB2 GLU 66 HB2 GLU 66 2.151 -45.494 7.929 559 HB3 GLU 66 HB3 GLU 66 1.495 -45.874 9.515 560 HG2 GLU 66 HG2 GLU 66 2.383 -44.036 10.356 561 HG3 GLU 66 HG3 GLU 66 3.992 -44.553 9.855 562 H ILE 67 H ILE 67 3.872 -49.317 9.278 563 HA ILE 67 HA ILE 67 1.847 -49.905 11.262 564 HB ILE 67 HB ILE 67 2.265 -51.490 9.432 565 HG12 ILE 67 HG12 ILE 67 3.077 -52.713 12.074 566 HG13 ILE 67 HG13 ILE 67 1.429 -52.215 11.706 567 HG21 ILE 67 HG21 ILE 67 4.762 -52.518 10.595 568 HG22 ILE 67 HG22 ILE 67 4.892 -50.959 9.780 569 HG23 ILE 67 HG23 ILE 67 4.271 -52.360 8.908 570 HD11 ILE 67 HD11 ILE 67 1.739 -54.604 11.380 571 HD12 ILE 67 HD12 ILE 67 3.015 -54.285 10.204 572 HD13 ILE 67 HD13 ILE 67 1.355 -53.797 9.858 573 H1 GLY 68 H1 GLY 68 5.747 17.387 26.343 574 H2 GLY 68 H2 GLY 68 4.902 16.565 27.556 575 H3 GLY 68 H3 GLY 68 4.186 17.879 26.768 576 HA2 GLY 68 HA2 GLY 68 5.047 15.731 25.027 577 HA3 GLY 68 HA3 GLY 68 3.740 15.319 26.126 578 H HIS 69 H HIS 69 3.864 15.716 23.155 579 HA HIS 69 HA HIS 69 1.441 17.310 22.972 580 HB2 HIS 69 HB2 HIS 69 4.052 18.183 21.932 581 HB3 HIS 69 HB3 HIS 69 2.745 18.246 20.753 582 HD1 HIS 69 HD1 HIS 69 3.220 19.350 24.373 583 HD2 HIS 69 HD2 HIS 69 1.481 20.624 20.821 584 HE1 HIS 69 HE1 HIS 69 2.245 21.612 24.877 585 HE2 HIS 69 HE2 HIS 69 1.142 22.336 22.730 586 H MET 70 H MET 70 3.897 15.539 21.101 587 HA MET 70 HA MET 70 1.769 14.485 19.380 588 HB2 MET 70 HB2 MET 70 4.695 14.912 19.063 589 HB3 MET 70 HB3 MET 70 3.986 13.547 18.212 590 HG2 MET 70 HG2 MET 70 2.660 16.192 17.976 591 HG3 MET 70 HG3 MET 70 4.173 15.930 17.110 592 HE1 MET 70 HE1 MET 70 0.134 13.903 16.341 593 HE2 MET 70 HE2 MET 70 0.494 15.157 17.528 594 HE3 MET 70 HE3 MET 70 1.003 13.495 17.820 595 H MET 71 H MET 71 2.279 12.144 18.608 596 HA MET 71 HA MET 71 2.586 10.526 21.033 597 HB2 MET 71 HB2 MET 71 0.585 10.483 19.243 598 HB3 MET 71 HB3 MET 71 1.648 9.297 18.499 599 HG2 MET 71 HG2 MET 71 1.450 7.817 20.249 600 HG3 MET 71 HG3 MET 71 0.996 9.074 21.399 601 HE1 MET 71 HE1 MET 71 -1.801 6.136 20.161 602 HE2 MET 71 HE2 MET 71 -0.165 6.163 20.818 603 HE3 MET 71 HE3 MET 71 -0.417 6.241 19.075 604 H SER 72 H SER 72 4.873 11.605 19.585 605 HA SER 72 HA SER 72 6.943 10.952 18.911 606 HB2 SER 72 HB2 SER 72 6.408 8.081 19.495 607 HB3 SER 72 HB3 SER 72 7.811 9.070 19.899 608 HG SER 72 HG SER 72 6.943 9.226 21.796 609 H LYS 73 H LYS 73 8.114 9.744 17.251 610 HA LYS 73 HA LYS 73 6.429 8.366 15.296 611 HB2 LYS 73 HB2 LYS 73 7.456 9.712 13.456 612 HB3 LYS 73 HB3 LYS 73 6.378 10.628 14.499 613 HG2 LYS 73 HG2 LYS 73 8.008 11.993 15.192 614 HG3 LYS 73 HG3 LYS 73 9.181 10.683 15.335 615 HD2 LYS 73 HD2 LYS 73 8.398 11.403 12.587 616 HD3 LYS 73 HD3 LYS 73 9.310 12.630 13.466 617 HE2 LYS 73 HE2 LYS 73 10.830 10.562 14.079 618 HE3 LYS 73 HE3 LYS 73 10.130 9.903 12.601 619 HZ1 LYS 73 HZ1 LYS 73 12.260 11.138 12.305 620 HZ2 LYS 73 HZ2 LYS 73 11.446 12.558 12.735 621 HZ3 LYS 73 HZ3 LYS 73 10.986 11.704 11.349 622 H LEU 74 H LEU 74 7.642 6.552 16.168 623 HA LEU 74 HA LEU 74 10.444 6.448 15.288 624 HB2 LEU 74 HB2 LEU 74 8.925 4.691 17.218 625 HB3 LEU 74 HB3 LEU 74 10.597 4.443 16.752 626 HG LEU 74 HG LEU 74 9.974 7.120 17.828 627 HD11 LEU 74 HD11 LEU 74 8.743 6.257 19.515 628 HD12 LEU 74 HD12 LEU 74 10.336 5.885 20.171 629 HD13 LEU 74 HD13 LEU 74 9.416 4.638 19.327 630 HD21 LEU 74 HD21 LEU 74 12.237 5.788 17.221 631 HD22 LEU 74 HD22 LEU 74 12.103 5.415 18.939 632 HD23 LEU 74 HD23 LEU 74 12.153 7.095 18.403 633 H PHE 75 H PHE 75 10.722 5.587 13.347 634 HA PHE 75 HA PHE 75 9.959 2.974 12.690 635 HB2 PHE 75 HB2 PHE 75 8.281 3.342 10.970 636 HB3 PHE 75 HB3 PHE 75 7.704 3.978 12.508 637 HD1 PHE 75 HD1 PHE 75 8.484 6.566 12.851 638 HD2 PHE 75 HD2 PHE 75 7.788 4.608 9.135 639 HE1 PHE 75 HE1 PHE 75 8.052 8.742 11.789 640 HE2 PHE 75 HE2 PHE 75 7.351 6.781 8.068 641 HZ PHE 75 HZ PHE 75 7.483 8.852 9.395 642 H LEU 76 H LEU 76 10.753 6.187 11.477 643 HA LEU 76 HA LEU 76 11.932 5.308 9.047 644 HB2 LEU 76 HB2 LEU 76 12.303 7.857 10.618 645 HB3 LEU 76 HB3 LEU 76 12.941 7.587 9.007 646 HG LEU 76 HG LEU 76 10.038 7.146 9.300 647 HD11 LEU 76 HD11 LEU 76 10.124 9.051 10.700 648 HD12 LEU 76 HD12 LEU 76 9.638 9.627 9.105 649 HD13 LEU 76 HD13 LEU 76 11.298 9.853 9.657 650 HD21 LEU 76 HD21 LEU 76 10.787 6.984 7.121 651 HD22 LEU 76 HD22 LEU 76 11.935 8.309 7.306 652 HD23 LEU 76 HD23 LEU 76 10.208 8.648 7.191 653 H ASP 77 H ASP 77 12.997 5.249 12.292 654 HA ASP 77 HA ASP 77 15.817 5.306 11.665 655 HB2 ASP 77 HB2 ASP 77 14.166 5.230 14.112 656 HB3 ASP 77 HB3 ASP 77 15.722 4.412 14.224 657 H GLU 78 H GLU 78 13.570 3.043 11.074 658 HA GLU 78 HA GLU 78 15.483 0.849 11.510 659 HB2 GLU 78 HB2 GLU 78 12.494 0.829 11.911 660 HB3 GLU 78 HB3 GLU 78 13.438 -0.645 11.741 661 HG2 GLU 78 HG2 GLU 78 14.582 -0.278 13.749 662 HG3 GLU 78 HG3 GLU 78 14.090 1.413 13.819 663 H LEU 79 H LEU 79 12.518 1.698 9.718 664 HA LEU 79 HA LEU 79 12.711 -0.129 7.661 665 HB2 LEU 79 HB2 LEU 79 11.291 1.331 6.384 666 HB3 LEU 79 HB3 LEU 79 10.801 1.400 8.064 667 HG LEU 79 HG LEU 79 12.457 3.507 8.031 668 HD11 LEU 79 HD11 LEU 79 11.418 3.242 5.219 669 HD12 LEU 79 HD12 LEU 79 13.098 3.378 5.740 670 HD13 LEU 79 HD13 LEU 79 12.006 4.753 5.911 671 HD21 LEU 79 HD21 LEU 79 10.470 4.904 7.749 672 HD22 LEU 79 HD22 LEU 79 10.138 3.511 8.779 673 HD23 LEU 79 HD23 LEU 79 9.588 3.522 7.103 674 HA PRO 80 HA PRO 80 16.004 0.647 4.835 675 HB2 PRO 80 HB2 PRO 80 13.964 1.755 2.939 676 HB3 PRO 80 HB3 PRO 80 15.281 0.616 2.629 677 HG2 PRO 80 HG2 PRO 80 12.780 -0.253 2.902 678 HG3 PRO 80 HG3 PRO 80 14.140 -1.168 3.579 679 HD2 PRO 80 HD2 PRO 80 12.088 0.467 4.960 680 HD3 PRO 80 HD3 PRO 80 13.000 -0.935 5.551 681 H GLU 81 H GLU 81 16.970 2.319 6.023 682 HA GLU 81 HA GLU 81 16.210 4.959 6.210 683 HB2 GLU 81 HB2 GLU 81 18.523 5.467 6.732 684 HB3 GLU 81 HB3 GLU 81 18.068 3.939 7.473 685 HG2 GLU 81 HG2 GLU 81 19.248 3.678 4.809 686 HG3 GLU 81 HG3 GLU 81 20.324 4.371 6.020 687 H SER 82 H SER 82 17.569 3.299 3.483 688 HA SER 82 HA SER 82 18.666 5.399 2.033 689 HB2 SER 82 HB2 SER 82 18.495 2.805 1.545 690 HB3 SER 82 HB3 SER 82 17.097 3.302 0.592 691 HG SER 82 HG SER 82 18.624 4.885 -0.368 692 H LEU 83 H LEU 83 15.312 4.259 2.155 693 HA LEU 83 HA LEU 83 14.397 6.289 0.329 694 HB2 LEU 83 HB2 LEU 83 12.864 4.379 2.094 695 HB3 LEU 83 HB3 LEU 83 12.146 5.419 0.878 696 HG LEU 83 HG LEU 83 14.287 3.580 -0.037 697 HD11 LEU 83 HD11 LEU 83 11.546 2.449 0.198 698 HD12 LEU 83 HD12 LEU 83 12.605 2.397 1.607 699 HD13 LEU 83 HD13 LEU 83 13.106 1.629 0.101 700 HD21 LEU 83 HD21 LEU 83 12.826 3.437 -1.991 701 HD22 LEU 83 HD22 LEU 83 13.173 5.115 -1.573 702 HD23 LEU 83 HD23 LEU 83 11.611 4.408 -1.159 703 H SER 84 H SER 84 14.647 5.878 3.781 704 HA SER 84 HA SER 84 12.817 7.745 4.701 705 HB2 SER 84 HB2 SER 84 15.540 7.054 5.827 706 HB3 SER 84 HB3 SER 84 14.291 7.945 6.696 707 HG SER 84 HG SER 84 14.195 5.267 5.775 708 H ARG 85 H ARG 85 15.921 8.232 3.193 709 HA ARG 85 HA ARG 85 16.429 10.866 3.993 710 HB2 ARG 85 HB2 ARG 85 17.592 8.996 2.249 711 HB3 ARG 85 HB3 ARG 85 17.257 10.411 1.261 712 HG2 ARG 85 HG2 ARG 85 19.486 10.549 2.155 713 HG3 ARG 85 HG3 ARG 85 18.479 11.803 2.883 714 HD2 ARG 85 HD2 ARG 85 18.199 10.444 4.879 715 HD3 ARG 85 HD3 ARG 85 19.145 9.147 4.148 716 HE ARG 85 HE ARG 85 20.808 11.301 4.085 717 HH11 ARG 85 HH11 ARG 85 19.015 9.679 6.602 718 HH12 ARG 85 HH12 ARG 85 20.161 10.067 7.841 719 HH21 ARG 85 HH21 ARG 85 22.315 11.813 5.714 720 HH22 ARG 85 HH22 ARG 85 22.034 11.279 7.338 721 H LYS 86 H LYS 86 14.631 9.611 1.205 722 HA LYS 86 HA LYS 86 13.935 12.250 0.284 723 HB2 LYS 86 HB2 LYS 86 13.104 9.478 -0.564 724 HB3 LYS 86 HB3 LYS 86 12.429 10.929 -1.291 725 HG2 LYS 86 HG2 LYS 86 14.287 11.359 -2.481 726 HG3 LYS 86 HG3 LYS 86 15.366 10.811 -1.197 727 HD2 LYS 86 HD2 LYS 86 14.374 8.454 -1.835 728 HD3 LYS 86 HD3 LYS 86 14.049 9.258 -3.372 729 HE2 LYS 86 HE2 LYS 86 16.604 10.028 -2.931 730 HE3 LYS 86 HE3 LYS 86 16.605 8.444 -2.155 731 HZ1 LYS 86 HZ1 LYS 86 16.023 7.398 -4.150 732 HZ2 LYS 86 HZ2 LYS 86 17.202 8.527 -4.597 733 HZ3 LYS 86 HZ3 LYS 86 15.568 8.845 -4.898 734 H ILE 87 H ILE 87 12.374 9.652 2.080 735 HA ILE 87 HA ILE 87 9.770 10.755 2.088 736 HB ILE 87 HB ILE 87 10.985 8.955 4.187 737 HG12 ILE 87 HG12 ILE 87 9.322 7.970 1.898 738 HG13 ILE 87 HG13 ILE 87 11.043 8.252 1.657 739 HG21 ILE 87 HG21 ILE 87 8.288 9.992 3.668 740 HG22 ILE 87 HG22 ILE 87 9.009 9.393 5.162 741 HG23 ILE 87 HG23 ILE 87 8.374 8.257 3.972 742 HD11 ILE 87 HD11 ILE 87 11.485 6.729 3.577 743 HD12 ILE 87 HD12 ILE 87 10.725 5.953 2.187 744 HD13 ILE 87 HD13 ILE 87 9.761 6.358 3.607 745 H GLY 88 H GLY 88 12.464 10.961 4.390 746 HA2 GLY 88 HA2 GLY 88 11.305 12.305 6.478 747 HA3 GLY 88 HA3 GLY 88 12.965 12.559 5.965 748 H THR 89 H THR 89 12.706 13.829 3.573 749 HA THR 89 HA THR 89 12.194 16.470 4.333 750 HB THR 89 HB THR 89 13.655 15.636 2.417 751 HG1 THR 89 HG1 THR 89 11.865 17.791 1.999 752 HG21 THR 89 HG21 THR 89 11.609 16.112 0.431 753 HG22 THR 89 HG22 THR 89 11.308 14.650 1.366 754 HG23 THR 89 HG23 THR 89 12.838 14.851 0.517 755 H VAL 90 H VAL 90 10.143 14.069 2.821 756 HA VAL 90 HA VAL 90 8.034 15.938 2.209 757 HB VAL 90 HB VAL 90 7.859 12.926 2.284 758 HG11 VAL 90 HG11 VAL 90 6.284 14.681 0.463 759 HG12 VAL 90 HG12 VAL 90 5.794 14.538 2.151 760 HG13 VAL 90 HG13 VAL 90 5.883 13.100 1.132 761 HG21 VAL 90 HG21 VAL 90 9.484 14.502 0.616 762 HG22 VAL 90 HG22 VAL 90 8.105 14.005 -0.363 763 HG23 VAL 90 HG23 VAL 90 9.096 12.791 0.442 764 H VAL 91 H VAL 91 8.649 13.472 4.672 765 HA VAL 91 HA VAL 91 6.172 13.549 5.959 766 HB VAL 91 HB VAL 91 8.792 13.133 7.392 767 HG11 VAL 91 HG11 VAL 91 6.952 13.196 8.890 768 HG12 VAL 91 HG12 VAL 91 7.378 11.498 8.677 769 HG13 VAL 91 HG13 VAL 91 5.977 12.168 7.842 770 HG21 VAL 91 HG21 VAL 91 9.233 11.460 5.989 771 HG22 VAL 91 HG22 VAL 91 7.659 11.604 5.208 772 HG23 VAL 91 HG23 VAL 91 7.835 10.633 6.668 773 H ARG 92 H ARG 92 9.012 15.604 6.300 774 HA ARG 92 HA ARG 92 8.457 16.947 8.637 775 HB2 ARG 92 HB2 ARG 92 10.140 17.339 6.367 776 HB3 ARG 92 HB3 ARG 92 9.382 18.876 6.755 777 HG2 ARG 92 HG2 ARG 92 10.879 19.171 8.352 778 HG3 ARG 92 HG3 ARG 92 10.216 17.772 9.200 779 HD2 ARG 92 HD2 ARG 92 12.566 17.424 8.912 780 HD3 ARG 92 HD3 ARG 92 11.711 16.321 7.835 781 HE ARG 92 HE ARG 92 12.628 17.411 6.039 782 HH11 ARG 92 HH11 ARG 92 13.072 19.361 8.899 783 HH12 ARG 92 HH12 ARG 92 14.125 20.492 8.117 784 HH21 ARG 92 HH21 ARG 92 14.011 18.897 5.009 785 HH22 ARG 92 HH22 ARG 92 14.657 20.229 5.908 786 H VAL 93 H VAL 93 6.880 17.220 5.548 787 HA VAL 93 HA VAL 93 5.504 19.668 6.183 788 HB VAL 93 HB VAL 93 4.890 17.704 3.971 789 HG11 VAL 93 HG11 VAL 93 3.830 20.324 4.758 790 HG12 VAL 93 HG12 VAL 93 3.103 19.051 3.779 791 HG13 VAL 93 HG13 VAL 93 4.245 20.178 3.051 792 HG21 VAL 93 HG21 VAL 93 6.565 18.524 2.715 793 HG22 VAL 93 HG22 VAL 93 7.266 18.984 4.267 794 HG23 VAL 93 HG23 VAL 93 6.356 20.165 3.326 795 H LEU 94 H LEU 94 4.591 16.241 5.887 796 HA LEU 94 HA LEU 94 2.162 16.841 7.448 797 HB2 LEU 94 HB2 LEU 94 2.610 15.213 5.038 798 HB3 LEU 94 HB3 LEU 94 1.607 14.463 6.262 799 HG LEU 94 HG LEU 94 0.309 15.682 4.547 800 HD11 LEU 94 HD11 LEU 94 -0.281 17.318 6.886 801 HD12 LEU 94 HD12 LEU 94 -0.087 15.605 7.257 802 HD13 LEU 94 HD13 LEU 94 -1.274 16.119 6.058 803 HD21 LEU 94 HD21 LEU 94 2.035 17.482 4.245 804 HD22 LEU 94 HD22 LEU 94 1.458 18.186 5.756 805 HD23 LEU 94 HD23 LEU 94 0.371 18.051 4.375 806 HA PRO 95 HA PRO 95 4.829 13.898 9.888 807 HB2 PRO 95 HB2 PRO 95 4.840 15.307 12.192 808 HB3 PRO 95 HB3 PRO 95 6.001 15.610 10.893 809 HG2 PRO 95 HG2 PRO 95 3.490 17.092 11.574 810 HG3 PRO 95 HG3 PRO 95 5.079 17.735 11.117 811 HD2 PRO 95 HD2 PRO 95 3.001 17.528 9.371 812 HD3 PRO 95 HD3 PRO 95 4.700 17.415 8.872 813 H SER 96 H SER 96 1.701 15.195 9.986 814 HA SER 96 HA SER 96 0.889 13.451 12.201 815 HB2 SER 96 HB2 SER 96 -1.331 14.769 11.879 816 HB3 SER 96 HB3 SER 96 0.036 15.582 12.642 817 HG SER 96 HG SER 96 -0.662 15.758 9.895 818 H SER 97 H SER 97 0.295 14.147 8.787 819 HA SER 97 HA SER 97 -1.880 12.378 8.451 820 HB2 SER 97 HB2 SER 97 -1.332 14.111 6.799 821 HB3 SER 97 HB3 SER 97 0.171 13.275 6.414 822 HG SER 97 HG SER 97 -1.339 12.663 4.908 823 H LEU 98 H LEU 98 1.607 11.926 8.237 824 HA LEU 98 HA LEU 98 1.705 9.403 7.096 825 HB2 LEU 98 HB2 LEU 98 3.552 11.121 8.020 826 HB3 LEU 98 HB3 LEU 98 3.589 9.937 9.314 827 HG LEU 98 HG LEU 98 3.968 9.252 6.402 828 HD11 LEU 98 HD11 LEU 98 5.899 10.081 8.514 829 HD12 LEU 98 HD12 LEU 98 5.867 10.477 6.796 830 HD13 LEU 98 HD13 LEU 98 6.384 8.875 7.322 831 HD21 LEU 98 HD21 LEU 98 3.992 7.724 8.956 832 HD22 LEU 98 HD22 LEU 98 5.101 7.244 7.672 833 HD23 LEU 98 HD23 LEU 98 3.362 7.270 7.373 834 H GLU 99 H GLU 99 0.877 10.338 10.359 835 HA GLU 99 HA GLU 99 1.192 7.887 11.660 836 HB2 GLU 99 HB2 GLU 99 -0.030 10.427 12.216 837 HB3 GLU 99 HB3 GLU 99 -1.100 9.137 12.749 838 HG2 GLU 99 HG2 GLU 99 1.301 8.274 13.687 839 HG3 GLU 99 HG3 GLU 99 1.471 10.024 13.825 840 H ILE 100 H ILE 100 -1.407 9.102 9.637 841 HA ILE 100 HA ILE 100 -3.301 7.085 10.225 842 HB ILE 100 HB ILE 100 -3.051 8.639 7.647 843 HG12 ILE 100 HG12 ILE 100 -4.911 9.455 9.830 844 HG13 ILE 100 HG13 ILE 100 -3.206 9.853 10.015 845 HG21 ILE 100 HG21 ILE 100 -5.470 8.263 7.482 846 HG22 ILE 100 HG22 ILE 100 -5.413 7.297 8.956 847 HG23 ILE 100 HG23 ILE 100 -4.568 6.747 7.508 848 HD11 ILE 100 HD11 ILE 100 -5.169 10.828 7.998 849 HD12 ILE 100 HD12 ILE 100 -3.447 10.819 7.618 850 HD13 ILE 100 HD13 ILE 100 -4.038 11.737 9.002 851 H PHE 101 H PHE 101 -0.924 7.426 7.602 852 HA PHE 101 HA PHE 101 -1.582 4.995 6.316 853 HB2 PHE 101 HB2 PHE 101 1.034 6.515 6.244 854 HB3 PHE 101 HB3 PHE 101 0.511 5.293 5.089 855 HD1 PHE 101 HD1 PHE 101 -2.037 5.867 4.218 856 HD2 PHE 101 HD2 PHE 101 0.931 8.653 5.451 857 HE1 PHE 101 HE1 PHE 101 -3.119 7.611 2.863 858 HE2 PHE 101 HE2 PHE 101 -0.145 10.406 4.099 859 HZ PHE 101 HZ PHE 101 -2.174 9.885 2.802 860 H GLU 102 H GLU 102 0.426 5.767 9.042 861 HA GLU 102 HA GLU 102 2.135 3.568 9.096 862 HB2 GLU 102 HB2 GLU 102 1.982 5.675 10.639 863 HB3 GLU 102 HB3 GLU 102 0.946 4.653 11.624 864 HG2 GLU 102 HG2 GLU 102 2.653 3.234 12.201 865 HG3 GLU 102 HG3 GLU 102 3.603 3.622 10.766 866 H GLU 103 H GLU 103 -1.123 3.930 10.460 867 HA GLU 103 HA GLU 103 -1.196 1.211 11.393 868 HB2 GLU 103 HB2 GLU 103 -2.773 3.589 11.723 869 HB3 GLU 103 HB3 GLU 103 -3.823 2.255 11.263 870 HG2 GLU 103 HG2 GLU 103 -3.663 1.310 13.265 871 HG3 GLU 103 HG3 GLU 103 -1.908 1.479 13.293 872 H LEU 104 H LEU 104 -1.742 2.748 8.409 873 HA LEU 104 HA LEU 104 -3.729 0.964 7.389 874 HB2 LEU 104 HB2 LEU 104 -3.000 3.367 6.606 875 HB3 LEU 104 HB3 LEU 104 -1.859 2.474 5.616 876 HG LEU 104 HG LEU 104 -4.859 2.136 5.545 877 HD11 LEU 104 HD11 LEU 104 -4.964 3.562 3.793 878 HD12 LEU 104 HD12 LEU 104 -3.344 3.162 3.226 879 HD13 LEU 104 HD13 LEU 104 -3.554 4.265 4.586 880 HD21 LEU 104 HD21 LEU 104 -2.602 0.664 4.338 881 HD22 LEU 104 HD22 LEU 104 -3.961 1.025 3.274 882 HD23 LEU 104 HD23 LEU 104 -4.223 0.113 4.761 883 H TYR 105 H TYR 105 -0.211 1.279 6.890 884 HA TYR 105 HA TYR 105 0.063 -0.912 5.170 885 HB2 TYR 105 HB2 TYR 105 2.322 -0.545 5.293 886 HB3 TYR 105 HB3 TYR 105 1.753 0.994 5.925 887 HD1 TYR 105 HD1 TYR 105 3.054 -2.334 6.934 888 HD2 TYR 105 HD2 TYR 105 2.361 1.703 8.087 889 HE1 TYR 105 HE1 TYR 105 4.380 -2.695 8.973 890 HE2 TYR 105 HE2 TYR 105 3.688 1.353 10.127 891 HH TYR 105 HH TYR 105 4.680 -1.768 11.164 892 H LYS 106 H LYS 106 0.146 -0.704 8.691 893 HA LYS 106 HA LYS 106 0.892 -3.420 9.110 894 HB2 LYS 106 HB2 LYS 106 0.994 -1.372 10.730 895 HB3 LYS 106 HB3 LYS 106 -0.660 -1.826 11.120 896 HG2 LYS 106 HG2 LYS 106 -0.025 -3.833 12.075 897 HG3 LYS 106 HG3 LYS 106 1.521 -3.866 11.223 898 HD2 LYS 106 HD2 LYS 106 2.311 -3.204 13.239 899 HD3 LYS 106 HD3 LYS 106 1.836 -1.611 12.648 900 HE2 LYS 106 HE2 LYS 106 0.693 -1.494 14.579 901 HE3 LYS 106 HE3 LYS 106 -0.495 -2.473 13.721 902 HZ1 LYS 106 HZ1 LYS 106 -0.001 -4.291 14.928 903 HZ2 LYS 106 HZ2 LYS 106 0.547 -3.160 16.061 904 HZ3 LYS 106 HZ3 LYS 106 1.648 -3.931 15.033 905 H TYR 107 H TYR 107 -2.136 -1.752 8.644 906 HA TYR 107 HA TYR 107 -3.824 -3.851 9.569 907 HB2 TYR 107 HB2 TYR 107 -4.719 -1.628 9.501 908 HB3 TYR 107 HB3 TYR 107 -4.327 -1.459 7.794 909 HD1 TYR 107 HD1 TYR 107 -5.624 -2.777 6.106 910 HD2 TYR 107 HD2 TYR 107 -6.763 -2.608 10.201 911 HE1 TYR 107 HE1 TYR 107 -7.872 -3.566 5.505 912 HE2 TYR 107 HE2 TYR 107 -9.017 -3.398 9.612 913 HH TYR 107 HH TYR 107 -9.776 -4.641 6.505 914 H ALA 108 H ALA 108 -2.848 -2.775 6.319 915 HA ALA 108 HA ALA 108 -4.237 -4.721 4.867 916 HB1 ALA 108 HB1 ALA 108 -2.429 -4.271 3.112 917 HB2 ALA 108 HB2 ALA 108 -1.781 -3.105 4.264 918 HB3 ALA 108 HB3 ALA 108 -3.418 -2.908 3.637 919 H LEU 109 H LEU 109 -1.057 -4.795 6.381 920 HA LEU 109 HA LEU 109 -0.109 -7.174 5.242 921 HB2 LEU 109 HB2 LEU 109 0.458 -5.814 7.864 922 HB3 LEU 109 HB3 LEU 109 1.259 -7.304 7.401 923 HG LEU 109 HG LEU 109 1.356 -4.825 5.694 924 HD11 LEU 109 HD11 LEU 109 3.713 -4.657 6.695 925 HD12 LEU 109 HD12 LEU 109 3.072 -5.637 8.012 926 HD13 LEU 109 HD13 LEU 109 2.357 -4.065 7.654 927 HD21 LEU 109 HD21 LEU 109 3.611 -6.160 5.187 928 HD22 LEU 109 HD22 LEU 109 2.107 -6.462 4.318 929 HD23 LEU 109 HD23 LEU 109 2.582 -7.518 5.649 930 H ASN 110 H ASN 110 -2.018 -6.601 8.169 931 HA ASN 110 HA ASN 110 -2.073 -9.294 9.029 932 HB2 ASN 110 HB2 ASN 110 -2.689 -7.101 10.304 933 HB3 ASN 110 HB3 ASN 110 -4.293 -7.365 9.626 934 HD21 ASN 110 HD21 ASN 110 -4.867 -7.507 11.914 935 HD22 ASN 110 HD22 ASN 110 -4.720 -9.034 12.710 936 H GLU 111 H GLU 111 -3.984 -7.473 6.748 937 HA GLU 111 HA GLU 111 -6.225 -9.144 6.575 938 HB2 GLU 111 HB2 GLU 111 -5.552 -6.807 5.429 939 HB3 GLU 111 HB3 GLU 111 -5.237 -7.885 4.076 940 HG2 GLU 111 HG2 GLU 111 -7.838 -7.636 5.571 941 HG3 GLU 111 HG3 GLU 111 -7.484 -6.968 3.978 942 H ASN 112 H ASN 112 -3.103 -9.273 4.943 943 HA ASN 112 HA ASN 112 -3.838 -11.551 3.343 944 HB2 ASN 112 HB2 ASN 112 -1.434 -9.841 3.665 945 HB3 ASN 112 HB3 ASN 112 -1.164 -11.485 3.093 946 HD21 ASN 112 HD21 ASN 112 -3.385 -8.777 2.512 947 HD22 ASN 112 HD22 ASN 112 -3.381 -8.923 0.789 948 H SER 113 H SER 113 -1.796 -10.963 6.166 949 HA SER 113 HA SER 113 -0.964 -12.338 7.773 950 HB2 SER 113 HB2 SER 113 -2.394 -13.946 8.633 951 HB3 SER 113 HB3 SER 113 -3.518 -12.967 7.692 952 HG SER 113 HG SER 113 -3.013 -14.550 5.942 953 H ASN 114 H ASN 114 0.296 -14.271 8.142 954 HA ASN 114 HA ASN 114 0.755 -16.256 6.220 955 HB2 ASN 114 HB2 ASN 114 1.820 -13.856 5.374 956 HB3 ASN 114 HB3 ASN 114 3.201 -14.645 6.131 957 HD21 ASN 114 HD21 ASN 114 3.183 -17.131 5.543 958 HD22 ASN 114 HD22 ASN 114 3.078 -17.442 3.847 959 H ASP 115 H ASP 115 0.982 -17.685 7.863 960 HA ASP 115 HA ASP 115 2.635 -17.156 10.147 961 HB2 ASP 115 HB2 ASP 115 1.283 -19.696 9.211 962 HB3 ASP 115 HB3 ASP 115 2.110 -19.514 10.756 963 H ARG 116 H ARG 116 4.249 -18.962 10.796 964 HA ARG 116 HA ARG 116 5.766 -20.023 8.556 965 HB2 ARG 116 HB2 ARG 116 7.859 -18.970 9.231 966 HB3 ARG 116 HB3 ARG 116 6.659 -17.748 8.834 967 HG2 ARG 116 HG2 ARG 116 7.011 -16.799 10.798 968 HG3 ARG 116 HG3 ARG 116 6.411 -18.256 11.594 969 HD2 ARG 116 HD2 ARG 116 8.822 -19.146 11.167 970 HD3 ARG 116 HD3 ARG 116 9.226 -17.439 10.998 971 HE ARG 116 HE ARG 116 8.571 -18.838 13.424 972 HH11 ARG 116 HH11 ARG 116 8.672 -15.723 11.852 973 HH12 ARG 116 HH12 ARG 116 8.769 -14.838 13.337 974 HH21 ARG 116 HH21 ARG 116 8.700 -17.674 15.377 975 HH22 ARG 116 HH22 ARG 116 8.785 -15.944 15.338 976 H SER 117 H SER 117 4.300 -21.351 10.518 977 HA SER 117 HA SER 117 5.734 -22.160 12.775 978 HB2 SER 117 HB2 SER 117 3.507 -23.355 11.173 979 HB3 SER 117 HB3 SER 117 4.288 -24.334 12.415 980 HG SER 117 HG SER 117 2.547 -23.221 13.310 981 H GLU 118 H GLU 118 6.911 -24.092 13.205 982 HA GLU 118 HA GLU 118 8.869 -24.702 11.272 983 HB2 GLU 118 HB2 GLU 118 8.740 -24.982 13.944 984 HB3 GLU 118 HB3 GLU 118 8.404 -26.640 13.466 985 HG2 GLU 118 HG2 GLU 118 10.618 -25.659 11.957 986 HG3 GLU 118 HG3 GLU 118 10.897 -25.354 13.670 987 H HIS 119 H HIS 119 9.349 -26.816 10.358 988 HA HIS 119 HA HIS 119 7.205 -28.741 10.161 989 HB2 HIS 119 HB2 HIS 119 7.654 -26.732 8.089 990 HB3 HIS 119 HB3 HIS 119 7.743 -28.378 7.469 991 HD1 HIS 119 HD1 HIS 119 5.571 -29.848 7.724 992 HD2 HIS 119 HD2 HIS 119 5.120 -25.838 8.717 993 HE1 HIS 119 HE1 HIS 119 3.089 -29.447 7.793 994 HE2 HIS 119 HE2 HIS 119 2.843 -26.995 8.309 995 H HIS 120 H HIS 120 7.945 -30.755 9.717 996 HA HIS 120 HA HIS 120 10.833 -31.007 9.236 997 HB2 HIS 120 HB2 HIS 120 9.575 -32.029 11.300 998 HB3 HIS 120 HB3 HIS 120 9.112 -33.282 10.153 999 HD1 HIS 120 HD1 HIS 120 12.091 -32.886 8.731 1000 HD2 HIS 120 HD2 HIS 120 11.152 -34.004 12.622 1001 HE1 HIS 120 HE1 HIS 120 14.104 -34.132 9.576 1002 HE2 HIS 120 HE2 HIS 120 13.480 -34.872 11.902 1003 H LYS 121 H LYS 121 11.468 -31.610 7.284 1004 HA LYS 121 HA LYS 121 9.728 -33.386 5.712 1005 HB2 LYS 121 HB2 LYS 121 10.431 -32.143 3.669 1006 HB3 LYS 121 HB3 LYS 121 9.442 -31.192 4.770 1007 HG2 LYS 121 HG2 LYS 121 11.930 -30.566 5.639 1008 HG3 LYS 121 HG3 LYS 121 12.221 -30.814 3.916 1009 HD2 LYS 121 HD2 LYS 121 9.880 -29.329 4.000 1010 HD3 LYS 121 HD3 LYS 121 10.872 -28.633 5.282 1011 HE2 LYS 121 HE2 LYS 121 11.898 -29.126 2.496 1012 HE3 LYS 121 HE3 LYS 121 11.138 -27.611 2.984 1013 HZ1 LYS 121 HZ1 LYS 121 13.272 -27.085 3.440 1014 HZ2 LYS 121 HZ2 LYS 121 13.752 -28.689 3.685 1015 HZ3 LYS 121 HZ3 LYS 121 12.932 -27.856 4.907 1016 H LYS 122 H LYS 122 10.734 -34.989 4.586 1017 HA LYS 122 HA LYS 122 12.356 -36.455 3.969 1018 HB2 LYS 122 HB2 LYS 122 13.398 -33.884 3.393 1019 HB3 LYS 122 HB3 LYS 122 14.712 -34.824 4.087 1020 HG2 LYS 122 HG2 LYS 122 15.012 -35.508 1.977 1021 HG3 LYS 122 HG3 LYS 122 13.689 -36.617 2.344 1022 HD2 LYS 122 HD2 LYS 122 12.150 -34.721 1.541 1023 HD3 LYS 122 HD3 LYS 122 13.609 -34.024 0.834 1024 HE2 LYS 122 HE2 LYS 122 12.595 -35.296 -0.879 1025 HE3 LYS 122 HE3 LYS 122 13.968 -36.244 -0.311 1026 HZ1 LYS 122 HZ1 LYS 122 12.365 -37.477 1.117 1027 HZ2 LYS 122 HZ2 LYS 122 12.127 -37.698 -0.544 1028 HZ3 LYS 122 HZ3 LYS 122 11.104 -36.671 0.328 1029 HA PRO 123 HA PRO 123 14.058 -37.751 7.847 1030 HB2 PRO 123 HB2 PRO 123 15.485 -39.890 7.037 1031 HB3 PRO 123 HB3 PRO 123 13.717 -39.889 7.050 1032 HG2 PRO 123 HG2 PRO 123 15.595 -39.462 4.758 1033 HG3 PRO 123 HG3 PRO 123 14.109 -40.426 4.821 1034 HD2 PRO 123 HD2 PRO 123 14.222 -37.919 3.757 1035 HD3 PRO 123 HD3 PRO 123 12.761 -38.595 4.502 1036 H ARG 124 H ARG 124 16.360 -38.680 8.593 1037 HA ARG 124 HA ARG 124 18.560 -37.255 7.334 1038 HB2 ARG 124 HB2 ARG 124 17.330 -36.481 9.917 1039 HB3 ARG 124 HB3 ARG 124 19.087 -36.522 9.873 1040 HG2 ARG 124 HG2 ARG 124 19.064 -34.991 7.958 1041 HG3 ARG 124 HG3 ARG 124 17.302 -34.930 8.043 1042 HD2 ARG 124 HD2 ARG 124 19.162 -34.118 10.274 1043 HD3 ARG 124 HD3 ARG 124 18.416 -33.001 9.132 1044 HE ARG 124 HE ARG 124 16.533 -34.672 10.519 1045 HH11 ARG 124 HH11 ARG 124 18.351 -31.696 10.640 1046 HH12 ARG 124 HH12 ARG 124 17.256 -30.926 11.739 1047 HH21 ARG 124 HH21 ARG 124 15.092 -33.662 11.965 1048 HH22 ARG 124 HH22 ARG 124 15.406 -32.042 12.491 1049 H ILE 125 H ILE 125 20.604 -37.619 8.867 1050 HA ILE 125 HA ILE 125 22.155 -39.167 9.491 1051 HB ILE 125 HB ILE 125 19.820 -40.303 11.028 1052 HG12 ILE 125 HG12 ILE 125 21.917 -38.334 11.954 1053 HG13 ILE 125 HG13 ILE 125 20.310 -37.867 11.406 1054 HG21 ILE 125 HG21 ILE 125 22.786 -40.719 11.233 1055 HG22 ILE 125 HG22 ILE 125 21.510 -41.929 11.091 1056 HG23 ILE 125 HG23 ILE 125 21.704 -41.024 12.592 1057 HD11 ILE 125 HD11 ILE 125 20.643 -39.840 13.623 1058 HD12 ILE 125 HD12 ILE 125 19.275 -38.792 13.257 1059 HD13 ILE 125 HD13 ILE 125 20.755 -38.107 13.927 1060 H ASP 126 H ASP 126 22.516 -40.137 7.481 1061 HA ASP 126 HA ASP 126 20.898 -42.306 6.538 1062 HB2 ASP 126 HB2 ASP 126 22.192 -40.770 5.044 1063 HB3 ASP 126 HB3 ASP 126 23.674 -41.511 5.636 1064 H ASP 127 H ASP 127 20.861 -44.118 7.725 1065 HA ASP 127 HA ASP 127 23.228 -45.713 7.916 1066 HB2 ASP 127 HB2 ASP 127 22.881 -43.983 10.026 1067 HB3 ASP 127 HB3 ASP 127 22.110 -45.451 10.615 1068 H SER 128 H SER 128 22.666 -47.789 7.741 1069 HA SER 128 HA SER 128 19.844 -48.487 8.146 1070 HB2 SER 128 HB2 SER 128 20.818 -50.640 6.864 1071 HB3 SER 128 HB3 SER 128 20.249 -49.205 6.014 1072 HG SER 128 HG SER 128 22.348 -48.517 5.787 1073 H SER 129 H SER 129 23.126 -49.668 8.814 1074 HA SER 129 HA SER 129 23.955 -51.036 10.428 1075 HB2 SER 129 HB2 SER 129 21.436 -50.679 12.027 1076 HB3 SER 129 HB3 SER 129 23.101 -50.818 12.594 1077 HG SER 129 HG SER 129 22.013 -48.641 12.547 1078 H ASP 130 H ASP 130 24.022 -53.024 9.525 1079 HA ASP 130 HA ASP 130 21.607 -54.697 9.733 1080 HB2 ASP 130 HB2 ASP 130 22.566 -54.246 7.425 1081 HB3 ASP 130 HB3 ASP 130 23.963 -55.200 7.913 1082 H LEU 131 H LEU 131 25.153 -55.116 9.644 1083 HA LEU 131 HA LEU 131 24.999 -56.731 12.069 1084 HB2 LEU 131 HB2 LEU 131 26.206 -58.586 11.136 1085 HB3 LEU 131 HB3 LEU 131 24.764 -58.304 10.177 1086 HG LEU 131 HG LEU 131 27.258 -57.007 9.233 1087 HD11 LEU 131 HD11 LEU 131 28.373 -58.968 9.528 1088 HD12 LEU 131 HD12 LEU 131 27.593 -59.319 7.985 1089 HD13 LEU 131 HD13 LEU 131 26.903 -59.941 9.483 1090 HD21 LEU 131 HD21 LEU 131 24.946 -56.918 8.160 1091 HD22 LEU 131 HD22 LEU 131 25.229 -58.595 7.693 1092 HD23 LEU 131 HD23 LEU 131 26.307 -57.325 7.113 1093 H LEU 132 H LEU 132 27.271 -57.354 12.800 1094 HA LEU 132 HA LEU 132 29.178 -55.221 12.105 1095 HB2 LEU 132 HB2 LEU 132 27.889 -55.177 14.415 1096 HB3 LEU 132 HB3 LEU 132 29.115 -56.347 14.865 1097 HG LEU 132 HG LEU 132 30.004 -53.789 13.620 1098 HD11 LEU 132 HD11 LEU 132 28.632 -54.045 16.223 1099 HD12 LEU 132 HD12 LEU 132 28.775 -52.659 15.145 1100 HD13 LEU 132 HD13 LEU 132 30.120 -53.098 16.200 1101 HD21 LEU 132 HD21 LEU 132 31.273 -55.008 15.997 1102 HD22 LEU 132 HD22 LEU 132 32.003 -54.289 14.560 1103 HD23 LEU 132 HD23 LEU 132 31.349 -55.927 14.495 1104 H LYS 133 H LYS 133 28.783 -58.456 13.501 1105 HA LYS 133 HA LYS 133 31.212 -59.313 12.154 1106 HB2 LYS 133 HB2 LYS 133 30.897 -59.192 15.129 1107 HB3 LYS 133 HB3 LYS 133 31.853 -60.483 14.412 1108 HG2 LYS 133 HG2 LYS 133 32.912 -58.365 13.142 1109 HG3 LYS 133 HG3 LYS 133 32.431 -57.607 14.662 1110 HD2 LYS 133 HD2 LYS 133 33.796 -59.032 15.931 1111 HD3 LYS 133 HD3 LYS 133 33.974 -60.183 14.605 1112 HE2 LYS 133 HE2 LYS 133 35.316 -58.589 13.363 1113 HE3 LYS 133 HE3 LYS 133 35.082 -57.379 14.625 1114 HZ1 LYS 133 HZ1 LYS 133 36.258 -59.971 15.343 1115 HZ2 LYS 133 HZ2 LYS 133 36.499 -58.450 16.044 1116 HZ3 LYS 133 HZ3 LYS 133 37.229 -58.825 14.564 1117 H THR 134 H THR 134 31.305 -61.528 11.771 1118 HA THR 134 HA THR 134 29.600 -63.435 12.949 1119 HB THR 134 HB THR 134 27.784 -62.378 11.812 1120 HG1 THR 134 HG1 THR 134 27.052 -64.164 10.983 1121 HG21 THR 134 HG21 THR 134 27.793 -62.211 9.300 1122 HG22 THR 134 HG22 THR 134 29.542 -62.408 9.384 1123 HG23 THR 134 HG23 THR 134 28.772 -61.028 10.165 1124 H ASP 135 H ASP 135 30.534 -65.349 12.662 1125 HA ASP 135 HA ASP 135 31.805 -67.034 11.816 1126 HB2 ASP 135 HB2 ASP 135 30.522 -65.909 9.567 1127 HB3 ASP 135 HB3 ASP 135 32.202 -66.154 9.100 1128 H GLU 136 H GLU 136 32.938 -64.404 9.707 1129 HA GLU 136 HA GLU 136 35.354 -64.042 11.226 1130 HB2 GLU 136 HB2 GLU 136 35.486 -66.153 9.571 1131 HB3 GLU 136 HB3 GLU 136 35.920 -64.882 8.436 1132 HG2 GLU 136 HG2 GLU 136 37.791 -64.237 9.762 1133 HG3 GLU 136 HG3 GLU 136 37.291 -65.295 11.080 1134 H ILE 137 H ILE 137 33.875 -63.591 8.019 1135 HA ILE 137 HA ILE 137 34.783 -60.788 8.100 1136 HB ILE 137 HB ILE 137 35.875 -62.074 6.307 1137 HG12 ILE 137 HG12 ILE 137 34.592 -60.576 4.393 1138 HG13 ILE 137 HG13 ILE 137 34.158 -59.730 5.874 1139 HG21 ILE 137 HG21 ILE 137 34.308 -63.767 5.807 1140 HG22 ILE 137 HG22 ILE 137 34.431 -62.773 4.356 1141 HG23 ILE 137 HG23 ILE 137 33.045 -62.592 5.434 1142 HD11 ILE 137 HD11 ILE 137 36.242 -58.964 6.198 1143 HD12 ILE 137 HD12 ILE 137 36.393 -59.254 4.466 1144 HD13 ILE 137 HD13 ILE 137 36.996 -60.449 5.614 Start of MODEL 16 1 H1 GLY -2 H1 GLY -2 -7.721 15.582 -19.954 2 H2 GLY -2 H2 GLY -2 -8.816 14.919 -21.061 3 H3 GLY -2 H3 GLY -2 -8.374 14.045 -19.680 4 HA2 GLY -2 HA2 GLY -2 -9.459 16.640 -19.080 5 HA3 GLY -2 HA3 GLY -2 -10.589 15.587 -19.919 6 H HIS -1 H HIS -1 -11.288 13.672 -18.924 7 HA HIS -1 HA HIS -1 -11.074 13.743 -16.014 8 HB2 HIS -1 HB2 HIS -1 -13.038 12.685 -17.968 9 HB3 HIS -1 HB3 HIS -1 -12.860 11.776 -16.471 10 HD1 HIS -1 HD1 HIS -1 -12.416 14.263 -14.598 11 HD2 HIS -1 HD2 HIS -1 -15.457 13.856 -17.400 12 HE1 HIS -1 HE1 HIS -1 -14.253 15.796 -13.823 13 HE2 HIS -1 HE2 HIS -1 -16.117 15.468 -15.487 14 H MET 0 H MET 0 -10.571 11.893 -14.772 15 HA MET 0 HA MET 0 -9.417 9.604 -16.166 16 HB2 MET 0 HB2 MET 0 -7.583 11.265 -15.798 17 HB3 MET 0 HB3 MET 0 -7.869 11.131 -14.067 18 HG2 MET 0 HG2 MET 0 -6.842 9.137 -13.912 19 HG3 MET 0 HG3 MET 0 -7.423 8.593 -15.485 20 HE1 MET 0 HE1 MET 0 -5.095 7.423 -15.938 21 HE2 MET 0 HE2 MET 0 -4.106 8.331 -17.082 22 HE3 MET 0 HE3 MET 0 -5.842 8.165 -17.353 23 H MET 1 H MET 1 -9.520 7.706 -15.028 24 HA MET 1 HA MET 1 -10.525 7.833 -12.270 25 HB2 MET 1 HB2 MET 1 -11.600 5.971 -14.395 26 HB3 MET 1 HB3 MET 1 -12.141 6.077 -12.725 27 HG2 MET 1 HG2 MET 1 -12.262 8.548 -14.347 28 HG3 MET 1 HG3 MET 1 -13.411 7.268 -14.728 29 HE1 MET 1 HE1 MET 1 -15.298 6.961 -13.962 30 HE2 MET 1 HE2 MET 1 -16.014 8.485 -13.436 31 HE3 MET 1 HE3 MET 1 -15.919 7.125 -12.318 32 H SER 2 H SER 2 -7.918 7.445 -12.680 33 HA SER 2 HA SER 2 -7.451 4.550 -12.643 34 HB2 SER 2 HB2 SER 2 -5.756 6.926 -13.256 35 HB3 SER 2 HB3 SER 2 -4.966 5.501 -12.582 36 HG SER 2 HG SER 2 -6.709 5.361 -14.807 37 H LYS 3 H LYS 3 -8.734 5.675 -10.415 38 HA LYS 3 HA LYS 3 -6.678 5.905 -8.354 39 HB2 LYS 3 HB2 LYS 3 -9.682 6.192 -8.154 40 HB3 LYS 3 HB3 LYS 3 -8.535 6.510 -6.859 41 HG2 LYS 3 HG2 LYS 3 -8.254 7.969 -9.442 42 HG3 LYS 3 HG3 LYS 3 -9.499 8.463 -8.292 43 HD2 LYS 3 HD2 LYS 3 -6.705 8.041 -7.329 44 HD3 LYS 3 HD3 LYS 3 -7.101 9.523 -8.205 45 HE2 LYS 3 HE2 LYS 3 -8.689 8.558 -5.840 46 HE3 LYS 3 HE3 LYS 3 -7.285 9.613 -5.676 47 HZ1 LYS 3 HZ1 LYS 3 -8.355 11.332 -6.793 48 HZ2 LYS 3 HZ2 LYS 3 -9.569 10.692 -5.803 49 HZ3 LYS 3 HZ3 LYS 3 -9.538 10.318 -7.452 50 H LEU 4 H LEU 4 -5.891 3.928 -7.872 51 HA LEU 4 HA LEU 4 -7.824 1.795 -7.258 52 HB2 LEU 4 HB2 LEU 4 -5.595 1.757 -8.912 53 HB3 LEU 4 HB3 LEU 4 -5.046 0.956 -7.452 54 HG LEU 4 HG LEU 4 -7.400 -0.315 -7.818 55 HD11 LEU 4 HD11 LEU 4 -8.054 0.703 -9.838 56 HD12 LEU 4 HD12 LEU 4 -7.435 -0.887 -10.284 57 HD13 LEU 4 HD13 LEU 4 -6.440 0.548 -10.531 58 HD21 LEU 4 HD21 LEU 4 -5.396 -1.507 -7.433 59 HD22 LEU 4 HD22 LEU 4 -4.681 -0.939 -8.942 60 HD23 LEU 4 HD23 LEU 4 -6.020 -2.086 -8.977 61 H PHE 5 H PHE 5 -5.448 3.875 -5.925 62 HA PHE 5 HA PHE 5 -5.012 2.220 -3.577 63 HB2 PHE 5 HB2 PHE 5 -3.644 4.252 -2.833 64 HB3 PHE 5 HB3 PHE 5 -3.060 3.367 -4.238 65 HD1 PHE 5 HD1 PHE 5 -4.626 6.467 -3.071 66 HD2 PHE 5 HD2 PHE 5 -3.072 4.357 -6.425 67 HE1 PHE 5 HE1 PHE 5 -4.622 8.552 -4.376 68 HE2 PHE 5 HE2 PHE 5 -3.063 6.439 -7.734 69 HZ PHE 5 HZ PHE 5 -3.840 8.541 -6.711 70 H LEU 6 H LEU 6 -7.625 2.629 -3.672 71 HA LEU 6 HA LEU 6 -8.129 4.161 -1.292 72 HB2 LEU 6 HB2 LEU 6 -8.801 5.218 -3.949 73 HB3 LEU 6 HB3 LEU 6 -10.144 5.211 -2.822 74 HG LEU 6 HG LEU 6 -7.485 6.428 -2.115 75 HD11 LEU 6 HD11 LEU 6 -9.807 8.046 -3.076 76 HD12 LEU 6 HD12 LEU 6 -8.647 7.379 -4.226 77 HD13 LEU 6 HD13 LEU 6 -8.103 8.485 -2.966 78 HD21 LEU 6 HD21 LEU 6 -9.057 7.776 -0.623 79 HD22 LEU 6 HD22 LEU 6 -8.775 6.090 -0.188 80 HD23 LEU 6 HD23 LEU 6 -10.270 6.552 -1.002 81 H ASP 7 H ASP 7 -9.564 2.466 -4.059 82 HA ASP 7 HA ASP 7 -11.944 1.711 -2.717 83 HB2 ASP 7 HB2 ASP 7 -10.588 0.952 -5.257 84 HB3 ASP 7 HB3 ASP 7 -11.808 -0.152 -4.627 85 H GLU 8 H GLU 8 -8.741 0.355 -2.869 86 HA GLU 8 HA GLU 8 -9.244 -2.277 -2.115 87 HB2 GLU 8 HB2 GLU 8 -6.925 -0.426 -1.860 88 HB3 GLU 8 HB3 GLU 8 -6.890 -1.915 -0.926 89 HG2 GLU 8 HG2 GLU 8 -7.164 -1.675 -3.914 90 HG3 GLU 8 HG3 GLU 8 -5.742 -2.217 -3.023 91 H LEU 9 H LEU 9 -8.585 0.549 -0.054 92 HA LEU 9 HA LEU 9 -9.139 -0.966 2.346 93 HB2 LEU 9 HB2 LEU 9 -8.762 1.219 3.487 94 HB3 LEU 9 HB3 LEU 9 -7.415 0.668 2.511 95 HG LEU 9 HG LEU 9 -8.976 2.297 0.824 96 HD11 LEU 9 HD11 LEU 9 -8.776 4.445 2.198 97 HD12 LEU 9 HD12 LEU 9 -8.718 3.384 3.605 98 HD13 LEU 9 HD13 LEU 9 -10.127 3.368 2.547 99 HD21 LEU 9 HD21 LEU 9 -6.995 3.714 0.825 100 HD22 LEU 9 HD22 LEU 9 -6.548 2.008 0.747 101 HD23 LEU 9 HD23 LEU 9 -6.395 2.891 2.265 102 HA PRO 10 HA PRO 10 -13.414 -0.243 3.058 103 HB2 PRO 10 HB2 PRO 10 -12.650 1.304 5.494 104 HB3 PRO 10 HB3 PRO 10 -13.803 -0.026 5.321 105 HG2 PRO 10 HG2 PRO 10 -11.408 -0.448 6.397 106 HG3 PRO 10 HG3 PRO 10 -12.138 -1.642 5.309 107 HD2 PRO 10 HD2 PRO 10 -9.928 0.288 4.796 108 HD3 PRO 10 HD3 PRO 10 -10.169 -1.349 4.157 109 H GLU 11 H GLU 11 -15.065 1.426 3.200 110 HA GLU 11 HA GLU 11 -14.346 3.758 1.715 111 HB2 GLU 11 HB2 GLU 11 -16.734 2.335 2.340 112 HB3 GLU 11 HB3 GLU 11 -16.971 4.015 2.804 113 HG2 GLU 11 HG2 GLU 11 -17.059 4.712 0.685 114 HG3 GLU 11 HG3 GLU 11 -15.726 3.676 0.184 115 H SER 12 H SER 12 -15.380 3.157 5.052 116 HA SER 12 HA SER 12 -15.567 5.819 5.887 117 HB2 SER 12 HB2 SER 12 -15.087 3.219 7.304 118 HB3 SER 12 HB3 SER 12 -14.951 4.734 8.196 119 HG SER 12 HG SER 12 -17.039 4.460 8.384 120 H LEU 13 H LEU 13 -12.797 3.711 5.515 121 HA LEU 13 HA LEU 13 -10.990 5.490 6.884 122 HB2 LEU 13 HB2 LEU 13 -10.663 2.964 5.298 123 HB3 LEU 13 HB3 LEU 13 -9.266 3.923 5.749 124 HG LEU 13 HG LEU 13 -11.246 2.716 7.683 125 HD11 LEU 13 HD11 LEU 13 -8.461 1.887 6.889 126 HD12 LEU 13 HD12 LEU 13 -9.954 0.972 6.670 127 HD13 LEU 13 HD13 LEU 13 -9.326 1.259 8.293 128 HD21 LEU 13 HD21 LEU 13 -9.387 3.323 9.316 129 HD22 LEU 13 HD22 LEU 13 -10.383 4.644 8.707 130 HD23 LEU 13 HD23 LEU 13 -8.772 4.378 8.044 131 H SER 14 H SER 14 -12.045 4.925 3.612 132 HA SER 14 HA SER 14 -9.969 6.214 2.231 133 HB2 SER 14 HB2 SER 14 -12.880 5.796 1.546 134 HB3 SER 14 HB3 SER 14 -11.728 6.524 0.428 135 HG SER 14 HG SER 14 -12.072 3.907 1.116 136 H ARG 15 H ARG 15 -13.105 7.480 3.357 137 HA ARG 15 HA ARG 15 -12.814 10.083 2.418 138 HB2 ARG 15 HB2 ARG 15 -14.580 10.692 3.892 139 HB3 ARG 15 HB3 ARG 15 -14.899 9.042 3.376 140 HG2 ARG 15 HG2 ARG 15 -13.692 8.379 5.563 141 HG3 ARG 15 HG3 ARG 15 -14.005 10.048 6.044 142 HD2 ARG 15 HD2 ARG 15 -16.135 8.157 5.061 143 HD3 ARG 15 HD3 ARG 15 -15.746 8.390 6.765 144 HE ARG 15 HE ARG 15 -16.231 10.902 5.683 145 HH11 ARG 15 HH11 ARG 15 -17.989 7.942 6.250 146 HH12 ARG 15 HH12 ARG 15 -19.515 8.737 6.434 147 HH21 ARG 15 HH21 ARG 15 -18.238 11.951 5.926 148 HH22 ARG 15 HH22 ARG 15 -19.658 11.011 6.250 149 H LYS 16 H LYS 16 -11.489 8.556 5.274 150 HA LYS 16 HA LYS 16 -10.680 10.968 6.561 151 HB2 LYS 16 HB2 LYS 16 -10.923 8.439 7.419 152 HB3 LYS 16 HB3 LYS 16 -9.197 8.446 7.082 153 HG2 LYS 16 HG2 LYS 16 -8.895 10.341 8.575 154 HG3 LYS 16 HG3 LYS 16 -10.631 10.383 8.889 155 HD2 LYS 16 HD2 LYS 16 -9.298 7.788 9.340 156 HD3 LYS 16 HD3 LYS 16 -8.852 9.086 10.449 157 HE2 LYS 16 HE2 LYS 16 -11.427 9.454 10.614 158 HE3 LYS 16 HE3 LYS 16 -11.516 7.804 9.998 159 HZ1 LYS 16 HZ1 LYS 16 -9.875 8.512 12.356 160 HZ2 LYS 16 HZ2 LYS 16 -10.401 6.979 11.866 161 HZ3 LYS 16 HZ3 LYS 16 -11.508 8.093 12.494 162 H ILE 17 H ILE 17 -9.186 8.752 4.282 163 HA ILE 17 HA ILE 17 -6.589 9.965 4.450 164 HB ILE 17 HB ILE 17 -7.666 8.177 2.266 165 HG12 ILE 17 HG12 ILE 17 -5.948 7.217 4.526 166 HG13 ILE 17 HG13 ILE 17 -7.686 7.365 4.762 167 HG21 ILE 17 HG21 ILE 17 -4.908 9.059 3.059 168 HG22 ILE 17 HG22 ILE 17 -5.694 9.173 1.484 169 HG23 ILE 17 HG23 ILE 17 -5.185 7.602 2.105 170 HD11 ILE 17 HD11 ILE 17 -7.444 6.010 2.362 171 HD12 ILE 17 HD12 ILE 17 -7.848 5.316 3.933 172 HD13 ILE 17 HD13 ILE 17 -6.172 5.334 3.382 173 H GLY 18 H GLY 18 -9.268 10.043 2.114 174 HA2 GLY 18 HA2 GLY 18 -8.107 11.700 0.201 175 HA3 GLY 18 HA3 GLY 18 -9.831 11.586 0.513 176 H THR 19 H THR 19 -9.851 12.577 3.160 177 HA THR 19 HA THR 19 -9.987 15.338 2.672 178 HB THR 19 HB THR 19 -11.328 14.296 4.409 179 HG1 THR 19 HG1 THR 19 -11.057 15.859 5.940 180 HG21 THR 19 HG21 THR 19 -10.210 13.783 6.621 181 HG22 THR 19 HG22 THR 19 -8.703 13.682 5.712 182 HG23 THR 19 HG23 THR 19 -10.033 12.590 5.335 183 H VAL 20 H VAL 20 -7.484 13.346 4.163 184 HA VAL 20 HA VAL 20 -5.844 15.615 4.854 185 HB VAL 20 HB VAL 20 -5.026 12.711 4.767 186 HG11 VAL 20 HG11 VAL 20 -3.892 15.143 6.132 187 HG12 VAL 20 HG12 VAL 20 -3.121 14.123 4.918 188 HG13 VAL 20 HG13 VAL 20 -3.421 13.493 6.536 189 HG21 VAL 20 HG21 VAL 20 -5.502 13.507 7.420 190 HG22 VAL 20 HG22 VAL 20 -6.408 12.332 6.466 191 HG23 VAL 20 HG23 VAL 20 -6.909 14.023 6.491 192 H VAL 21 H VAL 21 -6.013 13.254 2.258 193 HA VAL 21 HA VAL 21 -3.532 13.715 1.059 194 HB VAL 21 HB VAL 21 -6.154 12.952 -0.240 195 HG11 VAL 21 HG11 VAL 21 -4.616 13.836 -1.905 196 HG12 VAL 21 HG12 VAL 21 -4.785 12.089 -2.088 197 HG13 VAL 21 HG13 VAL 21 -3.344 12.759 -1.324 198 HG21 VAL 21 HG21 VAL 21 -4.691 11.544 1.592 199 HG22 VAL 21 HG22 VAL 21 -4.053 10.939 0.064 200 HG23 VAL 21 HG23 VAL 21 -5.781 10.837 0.400 201 H ARG 22 H ARG 22 -6.572 15.477 0.816 202 HA ARG 22 HA ARG 22 -6.153 17.052 -1.395 203 HB2 ARG 22 HB2 ARG 22 -7.905 17.060 0.809 204 HB3 ARG 22 HB3 ARG 22 -7.217 18.677 0.740 205 HG2 ARG 22 HG2 ARG 22 -8.996 18.975 -0.635 206 HG3 ARG 22 HG3 ARG 22 -7.812 18.431 -1.824 207 HD2 ARG 22 HD2 ARG 22 -8.735 16.057 -1.166 208 HD3 ARG 22 HD3 ARG 22 -10.146 16.987 -0.663 209 HE ARG 22 HE ARG 22 -9.276 16.469 -3.354 210 HH11 ARG 22 HH11 ARG 22 -11.115 18.613 -1.306 211 HH12 ARG 22 HH12 ARG 22 -12.117 19.188 -2.596 212 HH21 ARG 22 HH21 ARG 22 -10.592 17.226 -5.052 213 HH22 ARG 22 HH22 ARG 22 -11.819 18.401 -4.722 214 H VAL 23 H VAL 23 -4.667 17.284 1.752 215 HA VAL 23 HA VAL 23 -3.450 19.846 1.252 216 HB VAL 23 HB VAL 23 -2.819 17.834 3.419 217 HG11 VAL 23 HG11 VAL 23 -1.643 20.360 2.689 218 HG12 VAL 23 HG12 VAL 23 -1.146 19.209 3.927 219 HG13 VAL 23 HG13 VAL 23 -2.344 20.446 4.306 220 HG21 VAL 23 HG21 VAL 23 -5.202 18.624 3.336 221 HG22 VAL 23 HG22 VAL 23 -4.597 20.255 3.626 222 HG23 VAL 23 HG23 VAL 23 -4.341 18.993 4.830 223 H LEU 24 H LEU 24 -2.428 16.459 1.246 224 HA LEU 24 HA LEU 24 0.036 17.284 -0.144 225 HB2 LEU 24 HB2 LEU 24 -0.362 15.405 2.125 226 HB3 LEU 24 HB3 LEU 24 0.855 15.004 0.931 227 HG LEU 24 HG LEU 24 1.759 16.200 2.907 228 HD11 LEU 24 HD11 LEU 24 2.298 18.196 0.875 229 HD12 LEU 24 HD12 LEU 24 2.360 16.557 0.231 230 HD13 LEU 24 HD13 LEU 24 3.372 17.003 1.603 231 HD21 LEU 24 HD21 LEU 24 1.051 18.232 3.592 232 HD22 LEU 24 HD22 LEU 24 -0.446 17.733 2.805 233 HD23 LEU 24 HD23 LEU 24 0.689 18.780 1.955 234 HA PRO 25 HA PRO 25 -2.384 14.327 -2.803 235 HB2 PRO 25 HB2 PRO 25 -2.086 15.742 -5.100 236 HB3 PRO 25 HB3 PRO 25 -3.401 16.038 -3.957 237 HG2 PRO 25 HG2 PRO 25 -0.821 17.516 -4.299 238 HG3 PRO 25 HG3 PRO 25 -2.453 18.158 -4.040 239 HD2 PRO 25 HD2 PRO 25 -0.630 17.954 -2.046 240 HD3 PRO 25 HD3 PRO 25 -2.375 17.783 -1.767 241 H SER 26 H SER 26 0.770 15.618 -2.660 242 HA SER 26 HA SER 26 1.751 13.763 -4.711 243 HB2 SER 26 HB2 SER 26 2.745 16.340 -3.605 244 HB3 SER 26 HB3 SER 26 3.955 15.153 -4.095 245 HG SER 26 HG SER 26 3.111 16.727 -5.729 246 H SER 27 H SER 27 2.033 14.616 -1.303 247 HA SER 27 HA SER 27 4.193 12.924 -0.668 248 HB2 SER 27 HB2 SER 27 3.043 14.779 0.756 249 HB3 SER 27 HB3 SER 27 1.979 13.474 1.285 250 HG SER 27 HG SER 27 3.508 13.003 2.630 251 H LEU 28 H LEU 28 0.724 12.360 -0.853 252 HA LEU 28 HA LEU 28 0.627 9.841 0.352 253 HB2 LEU 28 HB2 LEU 28 -1.488 10.568 0.032 254 HB3 LEU 28 HB3 LEU 28 -1.083 11.432 -1.436 255 HG LEU 28 HG LEU 28 -1.132 9.282 -2.675 256 HD11 LEU 28 HD11 LEU 28 -1.574 7.272 -1.724 257 HD12 LEU 28 HD12 LEU 28 -2.566 7.970 -0.443 258 HD13 LEU 28 HD13 LEU 28 -0.808 8.049 -0.338 259 HD21 LEU 28 HD21 LEU 28 -3.142 10.890 -2.201 260 HD22 LEU 28 HD22 LEU 28 -3.753 9.518 -1.276 261 HD23 LEU 28 HD23 LEU 28 -3.404 9.337 -2.995 262 H GLU 29 H GLU 29 1.548 10.815 -2.886 263 HA GLU 29 HA GLU 29 1.443 8.354 -4.189 264 HB2 GLU 29 HB2 GLU 29 2.565 10.957 -4.680 265 HB3 GLU 29 HB3 GLU 29 3.707 9.717 -5.179 266 HG2 GLU 29 HG2 GLU 29 1.390 8.758 -6.218 267 HG3 GLU 29 HG3 GLU 29 1.138 10.499 -6.342 268 H ILE 30 H ILE 30 3.798 9.646 -1.956 269 HA ILE 30 HA ILE 30 5.773 7.623 -2.484 270 HB ILE 30 HB ILE 30 5.598 9.455 -0.092 271 HG12 ILE 30 HG12 ILE 30 7.364 10.013 -2.438 272 HG13 ILE 30 HG13 ILE 30 5.659 10.436 -2.552 273 HG21 ILE 30 HG21 ILE 30 7.921 9.031 0.205 274 HG22 ILE 30 HG22 ILE 30 8.019 8.155 -1.323 275 HG23 ILE 30 HG23 ILE 30 7.122 7.469 0.032 276 HD11 ILE 30 HD11 ILE 30 6.723 12.377 -1.812 277 HD12 ILE 30 HD12 ILE 30 7.725 11.493 -0.659 278 HD13 ILE 30 HD13 ILE 30 5.997 11.685 -0.360 279 H PHE 31 H PHE 31 3.486 8.288 0.160 280 HA PHE 31 HA PHE 31 4.158 6.026 1.704 281 HB2 PHE 31 HB2 PHE 31 1.488 7.440 1.655 282 HB3 PHE 31 HB3 PHE 31 2.169 6.496 2.976 283 HD1 PHE 31 HD1 PHE 31 4.912 7.511 3.101 284 HD2 PHE 31 HD2 PHE 31 1.244 9.582 2.493 285 HE1 PHE 31 HE1 PHE 31 5.912 9.552 4.044 286 HE2 PHE 31 HE2 PHE 31 2.238 11.626 3.432 287 HZ PHE 31 HZ PHE 31 4.576 11.614 4.209 288 H GLU 32 H GLU 32 1.970 6.501 -0.981 289 HA GLU 32 HA GLU 32 0.400 4.198 -0.705 290 HB2 GLU 32 HB2 GLU 32 -0.118 6.030 -2.271 291 HB3 GLU 32 HB3 GLU 32 1.270 5.577 -3.252 292 HG2 GLU 32 HG2 GLU 32 -0.285 3.254 -2.923 293 HG3 GLU 32 HG3 GLU 32 -1.396 4.564 -3.317 294 H GLU 33 H GLU 33 3.396 4.706 -2.558 295 HA GLU 33 HA GLU 33 3.587 1.984 -3.383 296 HB2 GLU 33 HB2 GLU 33 5.754 4.091 -3.276 297 HB3 GLU 33 HB3 GLU 33 5.812 2.588 -4.187 298 HG2 GLU 33 HG2 GLU 33 3.487 4.243 -4.798 299 HG3 GLU 33 HG3 GLU 33 5.030 5.011 -5.165 300 H LEU 34 H LEU 34 4.412 3.671 -0.509 301 HA LEU 34 HA LEU 34 6.495 1.947 0.388 302 HB2 LEU 34 HB2 LEU 34 5.673 4.368 1.161 303 HB3 LEU 34 HB3 LEU 34 4.798 3.410 2.340 304 HG LEU 34 HG LEU 34 7.784 3.565 1.957 305 HD11 LEU 34 HD11 LEU 34 5.950 4.253 4.248 306 HD12 LEU 34 HD12 LEU 34 6.856 5.382 3.241 307 HD13 LEU 34 HD13 LEU 34 7.711 4.281 4.321 308 HD21 LEU 34 HD21 LEU 34 6.153 1.646 3.606 309 HD22 LEU 34 HD22 LEU 34 7.862 1.970 3.898 310 HD23 LEU 34 HD23 LEU 34 7.345 1.266 2.365 311 H TYR 35 H TYR 35 3.035 2.211 1.202 312 HA TYR 35 HA TYR 35 3.011 0.022 2.978 313 HB2 TYR 35 HB2 TYR 35 0.703 0.315 3.107 314 HB3 TYR 35 HB3 TYR 35 1.268 1.919 2.654 315 HD1 TYR 35 HD1 TYR 35 -0.127 -1.217 1.197 316 HD2 TYR 35 HD2 TYR 35 0.375 2.986 0.793 317 HE1 TYR 35 HE1 TYR 35 -1.650 -1.229 -0.735 318 HE2 TYR 35 HE2 TYR 35 -1.145 2.988 -1.141 319 HH TYR 35 HH TYR 35 -3.159 1.317 -1.901 320 H LYS 36 H LYS 36 2.767 0.238 -0.486 321 HA LYS 36 HA LYS 36 1.744 -2.418 -0.854 322 HB2 LYS 36 HB2 LYS 36 2.900 -0.350 -2.709 323 HB3 LYS 36 HB3 LYS 36 2.502 -1.967 -3.271 324 HG2 LYS 36 HG2 LYS 36 0.173 -1.595 -2.454 325 HG3 LYS 36 HG3 LYS 36 0.621 0.080 -2.122 326 HD2 LYS 36 HD2 LYS 36 0.599 0.651 -4.304 327 HD3 LYS 36 HD3 LYS 36 1.295 -0.888 -4.817 328 HE2 LYS 36 HE2 LYS 36 -0.989 -1.896 -4.256 329 HE3 LYS 36 HE3 LYS 36 -1.574 -0.234 -4.219 330 HZ1 LYS 36 HZ1 LYS 36 -0.902 0.057 -6.491 331 HZ2 LYS 36 HZ2 LYS 36 -1.881 -1.319 -6.387 332 HZ3 LYS 36 HZ3 LYS 36 -0.205 -1.483 -6.538 333 H TYR 37 H TYR 37 4.896 -0.935 -0.651 334 HA TYR 37 HA TYR 37 6.373 -3.091 -1.761 335 HB2 TYR 37 HB2 TYR 37 7.355 -0.883 -1.651 336 HB3 TYR 37 HB3 TYR 37 7.198 -0.857 0.101 337 HD1 TYR 37 HD1 TYR 37 9.088 -2.227 -2.729 338 HD2 TYR 37 HD2 TYR 37 8.752 -2.061 1.509 339 HE1 TYR 37 HE1 TYR 37 11.342 -3.186 -2.519 340 HE2 TYR 37 HE2 TYR 37 11.004 -3.019 1.732 341 HH TYR 37 HH TYR 37 13.219 -3.073 -0.594 342 H ALA 38 H ALA 38 5.727 -2.103 1.596 343 HA ALA 38 HA ALA 38 7.066 -4.315 2.762 344 HB1 ALA 38 HB1 ALA 38 5.201 -2.215 3.770 345 HB2 ALA 38 HB2 ALA 38 6.877 -2.537 4.212 346 HB3 ALA 38 HB3 ALA 38 5.592 -3.599 4.789 347 H LEU 39 H LEU 39 3.918 -3.905 1.409 348 HA LEU 39 HA LEU 39 2.546 -5.930 2.814 349 HB2 LEU 39 HB2 LEU 39 2.003 -4.123 0.700 350 HB3 LEU 39 HB3 LEU 39 1.583 -5.726 0.128 351 HG LEU 39 HG LEU 39 0.587 -5.082 2.824 352 HD11 LEU 39 HD11 LEU 39 -1.378 -3.860 1.585 353 HD12 LEU 39 HD12 LEU 39 -0.103 -3.433 0.444 354 HD13 LEU 39 HD13 LEU 39 0.039 -2.968 2.139 355 HD21 LEU 39 HD21 LEU 39 0.123 -7.035 1.031 356 HD22 LEU 39 HD22 LEU 39 -1.192 -5.927 0.632 357 HD23 LEU 39 HD23 LEU 39 -1.032 -6.551 2.274 358 H ASN 40 H ASN 40 4.774 -6.011 0.141 359 HA ASN 40 HA ASN 40 4.115 -8.698 -0.646 360 HB2 ASN 40 HB2 ASN 40 5.275 -6.695 -1.986 361 HB3 ASN 40 HB3 ASN 40 6.732 -7.497 -1.399 362 HD21 ASN 40 HD21 ASN 40 6.955 -7.699 -3.804 363 HD22 ASN 40 HD22 ASN 40 6.299 -9.119 -4.537 364 H GLU 41 H GLU 41 6.343 -7.175 1.552 365 HA GLU 41 HA GLU 41 8.227 -9.211 1.852 366 HB2 GLU 41 HB2 GLU 41 7.204 -7.207 3.865 367 HB3 GLU 41 HB3 GLU 41 8.609 -8.232 4.124 368 HG2 GLU 41 HG2 GLU 41 8.889 -6.895 1.621 369 HG3 GLU 41 HG3 GLU 41 8.485 -5.714 2.866 370 H ASN 42 H ASN 42 5.148 -8.692 3.503 371 HA ASN 42 HA ASN 42 5.436 -11.054 5.123 372 HB2 ASN 42 HB2 ASN 42 3.130 -9.154 4.684 373 HB3 ASN 42 HB3 ASN 42 3.057 -10.535 5.775 374 HD21 ASN 42 HD21 ASN 42 4.791 -7.545 5.107 375 HD22 ASN 42 HD22 ASN 42 5.264 -7.240 6.742 376 H SER 43 H SER 43 4.515 -10.497 1.929 377 HA SER 43 HA SER 43 2.698 -12.783 1.831 378 HB2 SER 43 HB2 SER 43 3.514 -10.828 -0.333 379 HB3 SER 43 HB3 SER 43 2.307 -12.100 -0.510 380 HG SER 43 HG SER 43 1.166 -11.051 1.245 381 H ASN 44 H ASN 44 5.375 -13.364 2.483 382 HA ASN 44 HA ASN 44 7.042 -14.817 1.953 383 HB2 ASN 44 HB2 ASN 44 4.816 -15.643 0.159 384 HB3 ASN 44 HB3 ASN 44 6.415 -16.301 -0.175 385 HD21 ASN 44 HD21 ASN 44 3.818 -16.112 2.142 386 HD22 ASN 44 HD22 ASN 44 4.301 -17.474 3.091 387 H ASP 45 H ASP 45 8.802 -15.182 0.484 388 HA ASP 45 HA ASP 45 8.873 -13.658 -1.980 389 HB2 ASP 45 HB2 ASP 45 10.196 -12.764 0.505 390 HB3 ASP 45 HB3 ASP 45 11.217 -12.759 -0.930 391 H ARG 46 H ARG 46 9.132 -15.778 -2.844 392 HA ARG 46 HA ARG 46 11.128 -17.590 -2.106 393 HB2 ARG 46 HB2 ARG 46 10.835 -18.505 -4.426 394 HB3 ARG 46 HB3 ARG 46 9.345 -18.334 -3.510 395 HG2 ARG 46 HG2 ARG 46 8.763 -16.343 -4.722 396 HG3 ARG 46 HG3 ARG 46 10.322 -16.348 -5.550 397 HD2 ARG 46 HD2 ARG 46 8.714 -17.236 -7.063 398 HD3 ARG 46 HD3 ARG 46 9.707 -18.580 -6.504 399 HE ARG 46 HE ARG 46 7.602 -18.605 -4.800 400 HH11 ARG 46 HH11 ARG 46 7.868 -18.602 -8.279 401 HH12 ARG 46 HH12 ARG 46 6.403 -19.491 -8.519 402 HH21 ARG 46 HH21 ARG 46 5.673 -19.776 -5.111 403 HH22 ARG 46 HH22 ARG 46 5.156 -20.157 -6.720 404 H SER 47 H SER 47 13.252 -17.734 -2.497 405 HA SER 47 HA SER 47 14.485 -15.588 -4.073 406 HB2 SER 47 HB2 SER 47 16.504 -15.985 -2.813 407 HB3 SER 47 HB3 SER 47 15.162 -15.866 -1.676 408 HG SER 47 HG SER 47 16.613 -17.655 -1.294 409 H GLU 48 H GLU 48 13.988 -19.001 -3.984 410 HA GLU 48 HA GLU 48 14.482 -20.657 -5.461 411 HB2 GLU 48 HB2 GLU 48 15.593 -18.491 -7.251 412 HB3 GLU 48 HB3 GLU 48 15.071 -20.101 -7.732 413 HG2 GLU 48 HG2 GLU 48 12.768 -19.433 -6.893 414 HG3 GLU 48 HG3 GLU 48 13.388 -17.783 -6.847 415 H HIS 49 H HIS 49 16.319 -21.827 -6.452 416 HA HIS 49 HA HIS 49 18.970 -20.887 -5.712 417 HB2 HIS 49 HB2 HIS 49 17.655 -22.379 -3.868 418 HB3 HIS 49 HB3 HIS 49 18.426 -23.651 -4.808 419 HD1 HIS 49 HD1 HIS 49 20.425 -24.355 -3.539 420 HD2 HIS 49 HD2 HIS 49 19.971 -20.225 -3.541 421 HE1 HIS 49 HE1 HIS 49 22.445 -23.456 -2.342 422 HE2 HIS 49 HE2 HIS 49 22.195 -20.951 -2.439 423 H HIS 50 H HIS 50 20.161 -23.520 -5.979 424 HA HIS 50 HA HIS 50 21.009 -24.907 -7.566 425 HB2 HIS 50 HB2 HIS 50 18.251 -24.471 -8.691 426 HB3 HIS 50 HB3 HIS 50 19.439 -25.461 -9.530 427 HD1 HIS 50 HD1 HIS 50 18.486 -25.341 -5.844 428 HD2 HIS 50 HD2 HIS 50 18.726 -28.014 -9.016 429 HE1 HIS 50 HE1 HIS 50 17.887 -27.585 -4.879 430 HE2 HIS 50 HE2 HIS 50 17.947 -29.170 -6.837 431 H LYS 51 H LYS 51 21.651 -24.997 -9.940 432 HA LYS 51 HA LYS 51 22.684 -24.044 -11.727 433 HB2 LYS 51 HB2 LYS 51 20.345 -23.100 -12.047 434 HB3 LYS 51 HB3 LYS 51 20.933 -21.628 -11.286 435 HG2 LYS 51 HG2 LYS 51 22.101 -20.993 -13.103 436 HG3 LYS 51 HG3 LYS 51 22.557 -22.645 -13.521 437 HD2 LYS 51 HD2 LYS 51 20.485 -23.057 -14.572 438 HD3 LYS 51 HD3 LYS 51 19.752 -21.615 -13.864 439 HE2 LYS 51 HE2 LYS 51 20.390 -21.469 -16.311 440 HE3 LYS 51 HE3 LYS 51 20.981 -20.178 -15.269 441 HZ1 LYS 51 HZ1 LYS 51 23.122 -20.886 -15.443 442 HZ2 LYS 51 HZ2 LYS 51 22.555 -21.397 -16.954 443 HZ3 LYS 51 HZ3 LYS 51 22.704 -22.506 -15.688 444 H LYS 52 H LYS 52 24.719 -23.405 -11.578 445 HA LYS 52 HA LYS 52 25.332 -20.967 -10.054 446 HB2 LYS 52 HB2 LYS 52 26.424 -23.697 -9.695 447 HB3 LYS 52 HB3 LYS 52 27.590 -22.384 -9.643 448 HG2 LYS 52 HG2 LYS 52 25.171 -21.951 -8.039 449 HG3 LYS 52 HG3 LYS 52 26.197 -23.288 -7.511 450 HD2 LYS 52 HD2 LYS 52 28.122 -21.548 -7.797 451 HD3 LYS 52 HD3 LYS 52 26.816 -20.367 -7.676 452 HE2 LYS 52 HE2 LYS 52 26.695 -22.460 -5.642 453 HE3 LYS 52 HE3 LYS 52 28.164 -21.488 -5.565 454 HZ1 LYS 52 HZ1 LYS 52 26.525 -19.521 -5.743 455 HZ2 LYS 52 HZ2 LYS 52 26.702 -20.309 -4.256 456 HZ3 LYS 52 HZ3 LYS 52 25.365 -20.639 -5.234 457 HA PRO 53 HA PRO 53 27.656 -19.765 -13.602 458 HB2 PRO 53 HB2 PRO 53 29.592 -18.223 -12.497 459 HB3 PRO 53 HB3 PRO 53 27.901 -17.712 -12.591 460 HG2 PRO 53 HG2 PRO 53 29.400 -18.889 -10.281 461 HG3 PRO 53 HG3 PRO 53 28.256 -17.533 -10.299 462 HD2 PRO 53 HD2 PRO 53 27.556 -20.032 -9.512 463 HD3 PRO 53 HD3 PRO 53 26.418 -18.919 -10.297 464 H ARG 54 H ARG 54 30.114 -19.479 -14.265 465 HA ARG 54 HA ARG 54 31.845 -21.501 -13.114 466 HB2 ARG 54 HB2 ARG 54 30.421 -22.728 -14.750 467 HB3 ARG 54 HB3 ARG 54 31.021 -21.668 -16.018 468 HG2 ARG 54 HG2 ARG 54 32.919 -22.815 -16.229 469 HG3 ARG 54 HG3 ARG 54 33.154 -22.921 -14.484 470 HD2 ARG 54 HD2 ARG 54 32.753 -25.110 -14.793 471 HD3 ARG 54 HD3 ARG 54 31.062 -24.612 -14.834 472 HE ARG 54 HE ARG 54 31.008 -25.242 -17.019 473 HH11 ARG 54 HH11 ARG 54 34.326 -24.574 -16.168 474 HH12 ARG 54 HH12 ARG 54 34.951 -25.065 -17.707 475 HH21 ARG 54 HH21 ARG 54 31.828 -25.888 -19.043 476 HH22 ARG 54 HH22 ARG 54 33.532 -25.810 -19.340 477 H ILE 55 H ILE 55 34.025 -21.289 -13.727 478 HA ILE 55 HA ILE 55 34.657 -18.663 -14.868 479 HB ILE 55 HB ILE 55 36.548 -20.521 -13.430 480 HG12 ILE 55 HG12 ILE 55 34.678 -19.954 -11.947 481 HG13 ILE 55 HG13 ILE 55 36.155 -19.148 -11.428 482 HG21 ILE 55 HG21 ILE 55 37.142 -18.391 -14.963 483 HG22 ILE 55 HG22 ILE 55 38.099 -18.889 -13.569 484 HG23 ILE 55 HG23 ILE 55 36.910 -17.596 -13.407 485 HD11 ILE 55 HD11 ILE 55 34.008 -17.837 -13.074 486 HD12 ILE 55 HD12 ILE 55 35.406 -17.065 -12.324 487 HD13 ILE 55 HD13 ILE 55 34.122 -17.735 -11.317 488 H ASP 56 H ASP 56 35.925 -18.401 -16.648 489 HA ASP 56 HA ASP 56 36.495 -20.832 -18.190 490 HB2 ASP 56 HB2 ASP 56 35.497 -18.212 -18.865 491 HB3 ASP 56 HB3 ASP 56 36.951 -18.558 -19.796 492 H ASP 57 H ASP 57 38.191 -19.917 -16.001 493 HA ASP 57 HA ASP 57 40.604 -19.043 -17.419 494 HB2 ASP 57 HB2 ASP 57 39.553 -18.226 -15.011 495 HB3 ASP 57 HB3 ASP 57 40.793 -19.372 -14.508 496 H SER 58 H SER 58 42.647 -20.033 -16.108 497 HA SER 58 HA SER 58 42.797 -22.723 -16.937 498 HB2 SER 58 HB2 SER 58 44.621 -21.196 -15.063 499 HB3 SER 58 HB3 SER 58 45.009 -22.730 -15.842 500 HG SER 58 HG SER 58 45.811 -21.390 -17.284 501 H SER 59 H SER 59 43.326 -24.586 -15.568 502 HA SER 59 HA SER 59 41.960 -24.468 -12.959 503 HB2 SER 59 HB2 SER 59 41.780 -26.530 -15.142 504 HB3 SER 59 HB3 SER 59 41.433 -26.954 -13.467 505 HG SER 59 HG SER 59 39.549 -26.099 -13.753 506 H ASP 60 H ASP 60 42.852 -25.623 -11.269 507 HA ASP 60 HA ASP 60 45.615 -26.509 -11.708 508 HB2 ASP 60 HB2 ASP 60 44.137 -25.427 -9.334 509 HB3 ASP 60 HB3 ASP 60 45.582 -26.404 -9.090 510 H LEU 61 H LEU 61 46.324 -28.520 -11.105 511 HA LEU 61 HA LEU 61 44.320 -30.388 -10.038 512 HB2 LEU 61 HB2 LEU 61 45.676 -30.460 -12.612 513 HB3 LEU 61 HB3 LEU 61 45.939 -31.928 -11.689 514 HG LEU 61 HG LEU 61 43.157 -30.875 -12.011 515 HD11 LEU 61 HD11 LEU 61 44.882 -32.004 -14.126 516 HD12 LEU 61 HD12 LEU 61 43.483 -30.937 -14.245 517 HD13 LEU 61 HD13 LEU 61 43.253 -32.668 -13.997 518 HD21 LEU 61 HD21 LEU 61 43.686 -32.749 -10.466 519 HD22 LEU 61 HD22 LEU 61 44.255 -33.679 -11.853 520 HD23 LEU 61 HD23 LEU 61 42.563 -33.187 -11.753 521 H LEU 62 H LEU 62 45.515 -32.560 -9.481 522 HA LEU 62 HA LEU 62 47.500 -31.876 -7.524 523 HB2 LEU 62 HB2 LEU 62 46.477 -34.591 -8.359 524 HB3 LEU 62 HB3 LEU 62 47.420 -34.245 -6.923 525 HG LEU 62 HG LEU 62 44.674 -33.110 -7.439 526 HD11 LEU 62 HD11 LEU 62 43.752 -34.783 -6.083 527 HD12 LEU 62 HD12 LEU 62 45.336 -35.332 -5.535 528 HD13 LEU 62 HD13 LEU 62 44.820 -35.640 -7.194 529 HD21 LEU 62 HD21 LEU 62 46.693 -32.843 -5.297 530 HD22 LEU 62 HD22 LEU 62 45.014 -33.020 -4.787 531 HD23 LEU 62 HD23 LEU 62 45.475 -31.699 -5.860 532 H LYS 63 H LYS 63 49.356 -31.220 -8.559 533 HA LYS 63 HA LYS 63 50.648 -33.167 -10.344 534 HB2 LYS 63 HB2 LYS 63 52.074 -31.271 -11.060 535 HB3 LYS 63 HB3 LYS 63 50.365 -30.995 -11.368 536 HG2 LYS 63 HG2 LYS 63 50.877 -29.952 -8.813 537 HG3 LYS 63 HG3 LYS 63 52.214 -29.430 -9.842 538 HD2 LYS 63 HD2 LYS 63 49.537 -29.204 -11.046 539 HD3 LYS 63 HD3 LYS 63 49.830 -28.150 -9.660 540 HE2 LYS 63 HE2 LYS 63 51.977 -27.460 -10.809 541 HE3 LYS 63 HE3 LYS 63 51.375 -28.300 -12.239 542 HZ1 LYS 63 HZ1 LYS 63 49.541 -26.830 -12.376 543 HZ2 LYS 63 HZ2 LYS 63 50.914 -25.864 -12.166 544 HZ3 LYS 63 HZ3 LYS 63 49.871 -26.146 -10.866 545 H THR 64 H THR 64 51.003 -31.355 -7.377 546 HA THR 64 HA THR 64 52.980 -33.153 -6.393 547 HB THR 64 HB THR 64 54.512 -31.896 -7.742 548 HG1 THR 64 HG1 THR 64 55.817 -30.970 -6.099 549 HG21 THR 64 HG21 THR 64 54.580 -29.318 -6.759 550 HG22 THR 64 HG22 THR 64 52.866 -29.636 -7.025 551 HG23 THR 64 HG23 THR 64 54.014 -29.828 -8.351 552 H ASP 65 H ASP 65 53.386 -32.885 -4.172 553 HA ASP 65 HA ASP 65 51.292 -31.494 -2.771 554 HB2 ASP 65 HB2 ASP 65 52.786 -33.766 -2.267 555 HB3 ASP 65 HB3 ASP 65 53.435 -32.602 -1.116 556 H GLU 66 H GLU 66 51.411 -29.611 -1.702 557 HA GLU 66 HA GLU 66 54.037 -28.426 -1.180 558 HB2 GLU 66 HB2 GLU 66 53.105 -26.209 -1.988 559 HB3 GLU 66 HB3 GLU 66 53.492 -27.387 -3.235 560 HG2 GLU 66 HG2 GLU 66 50.889 -27.971 -2.761 561 HG3 GLU 66 HG3 GLU 66 50.914 -26.233 -2.459 562 H ILE 67 H ILE 67 50.527 -27.956 -0.808 563 HA ILE 67 HA ILE 67 51.009 -27.261 2.010 564 HB ILE 67 HB ILE 67 48.956 -25.888 0.275 565 HG12 ILE 67 HG12 ILE 67 51.401 -24.536 1.365 566 HG13 ILE 67 HG13 ILE 67 51.500 -25.429 -0.149 567 HG21 ILE 67 HG21 ILE 67 48.754 -24.357 2.177 568 HG22 ILE 67 HG22 ILE 67 49.920 -25.327 3.077 569 HG23 ILE 67 HG23 ILE 67 48.359 -26.014 2.630 570 HD11 ILE 67 HD11 ILE 67 51.015 -23.380 -0.972 571 HD12 ILE 67 HD12 ILE 67 50.131 -22.885 0.471 572 HD13 ILE 67 HD13 ILE 67 49.368 -23.954 -0.706 573 H1 GLY 68 H1 GLY 68 7.531 4.151 24.287 574 H2 GLY 68 H2 GLY 68 7.147 3.585 22.739 575 H3 GLY 68 H3 GLY 68 5.937 3.721 23.913 576 HA2 GLY 68 HA2 GLY 68 6.567 6.201 23.960 577 HA3 GLY 68 HA3 GLY 68 7.303 5.852 22.403 578 H HIS 69 H HIS 69 5.245 3.788 21.821 579 HA HIS 69 HA HIS 69 3.203 3.598 20.838 580 HB2 HIS 69 HB2 HIS 69 2.536 4.789 23.072 581 HB3 HIS 69 HB3 HIS 69 2.289 6.191 22.036 582 HD1 HIS 69 HD1 HIS 69 1.428 2.686 20.970 583 HD2 HIS 69 HD2 HIS 69 -0.471 6.172 22.195 584 HE1 HIS 69 HE1 HIS 69 -1.020 2.304 20.540 585 HE2 HIS 69 HE2 HIS 69 -2.158 4.392 21.372 586 H MET 70 H MET 70 3.696 7.129 20.986 587 HA MET 70 HA MET 70 3.977 7.172 18.074 588 HB2 MET 70 HB2 MET 70 2.104 9.053 19.510 589 HB3 MET 70 HB3 MET 70 2.332 8.886 17.775 590 HG2 MET 70 HG2 MET 70 1.331 6.695 17.811 591 HG3 MET 70 HG3 MET 70 1.202 6.751 19.568 592 HE1 MET 70 HE1 MET 70 0.331 9.410 20.361 593 HE2 MET 70 HE2 MET 70 -0.783 8.142 20.873 594 HE3 MET 70 HE3 MET 70 -1.403 9.605 20.107 595 H MET 71 H MET 71 5.848 7.534 20.258 596 HA MET 71 HA MET 71 6.781 10.218 19.549 597 HB2 MET 71 HB2 MET 71 5.693 9.610 22.053 598 HB3 MET 71 HB3 MET 71 7.432 9.600 22.307 599 HG2 MET 71 HG2 MET 71 6.450 11.868 20.737 600 HG3 MET 71 HG3 MET 71 5.850 11.804 22.394 601 HE1 MET 71 HE1 MET 71 9.180 11.016 24.166 602 HE2 MET 71 HE2 MET 71 7.428 10.813 24.124 603 HE3 MET 71 HE3 MET 71 8.125 12.329 24.693 604 H SER 72 H SER 72 7.550 7.561 18.676 605 HA SER 72 HA SER 72 10.353 7.603 19.571 606 HB2 SER 72 HB2 SER 72 10.202 5.031 19.026 607 HB3 SER 72 HB3 SER 72 9.676 5.638 20.596 608 HG SER 72 HG SER 72 7.638 5.257 20.082 609 H LYS 73 H LYS 73 11.606 6.007 17.935 610 HA LYS 73 HA LYS 73 10.986 7.053 15.258 611 HB2 LYS 73 HB2 LYS 73 13.556 6.313 16.618 612 HB3 LYS 73 HB3 LYS 73 13.459 6.341 14.863 613 HG2 LYS 73 HG2 LYS 73 13.285 8.606 14.767 614 HG3 LYS 73 HG3 LYS 73 12.474 8.721 16.330 615 HD2 LYS 73 HD2 LYS 73 14.584 9.635 16.730 616 HD3 LYS 73 HD3 LYS 73 14.729 7.978 17.320 617 HE2 LYS 73 HE2 LYS 73 15.687 7.370 15.082 618 HE3 LYS 73 HE3 LYS 73 15.723 9.092 14.703 619 HZ1 LYS 73 HZ1 LYS 73 17.357 9.489 16.256 620 HZ2 LYS 73 HZ2 LYS 73 17.812 7.966 15.675 621 HZ3 LYS 73 HZ3 LYS 73 17.011 8.100 17.159 622 H LEU 74 H LEU 74 9.427 5.327 14.956 623 HA LEU 74 HA LEU 74 10.655 2.695 14.488 624 HB2 LEU 74 HB2 LEU 74 8.337 3.396 15.865 625 HB3 LEU 74 HB3 LEU 74 7.757 2.757 14.340 626 HG LEU 74 HG LEU 74 9.509 0.825 14.959 627 HD11 LEU 74 HD11 LEU 74 9.072 0.396 17.456 628 HD12 LEU 74 HD12 LEU 74 8.743 2.126 17.543 629 HD13 LEU 74 HD13 LEU 74 10.322 1.554 17.009 630 HD21 LEU 74 HD21 LEU 74 7.679 -0.499 15.354 631 HD22 LEU 74 HD22 LEU 74 6.912 0.893 14.588 632 HD23 LEU 74 HD23 LEU 74 6.873 0.719 16.343 633 H PHE 75 H PHE 75 9.312 1.458 12.708 634 HA PHE 75 HA PHE 75 8.766 1.226 10.513 635 HB2 PHE 75 HB2 PHE 75 7.051 2.972 11.057 636 HB3 PHE 75 HB3 PHE 75 8.198 4.197 10.527 637 HD1 PHE 75 HD1 PHE 75 7.542 0.884 8.990 638 HD2 PHE 75 HD2 PHE 75 7.136 5.107 8.665 639 HE1 PHE 75 HE1 PHE 75 6.743 0.624 6.677 640 HE2 PHE 75 HE2 PHE 75 6.335 4.857 6.353 641 HZ PHE 75 HZ PHE 75 6.138 2.612 5.357 642 H LEU 76 H LEU 76 10.158 4.511 10.582 643 HA LEU 76 HA LEU 76 11.681 4.182 8.255 644 HB2 LEU 76 HB2 LEU 76 11.987 6.074 10.580 645 HB3 LEU 76 HB3 LEU 76 12.974 6.168 9.132 646 HG LEU 76 HG LEU 76 10.575 6.236 7.968 647 HD11 LEU 76 HD11 LEU 76 9.167 7.788 9.421 648 HD12 LEU 76 HD12 LEU 76 10.135 7.200 10.773 649 HD13 LEU 76 HD13 LEU 76 9.166 6.071 9.826 650 HD21 LEU 76 HD21 LEU 76 12.604 7.968 8.284 651 HD22 LEU 76 HD22 LEU 76 11.334 8.824 9.158 652 HD23 LEU 76 HD23 LEU 76 11.095 8.373 7.469 653 H ASP 77 H ASP 77 12.246 3.106 11.473 654 HA ASP 77 HA ASP 77 15.094 2.919 11.291 655 HB2 ASP 77 HB2 ASP 77 13.007 2.158 13.235 656 HB3 ASP 77 HB3 ASP 77 14.453 1.153 13.252 657 H GLU 78 H GLU 78 12.410 0.855 10.451 658 HA GLU 78 HA GLU 78 14.218 -1.389 9.932 659 HB2 GLU 78 HB2 GLU 78 11.202 -1.201 9.922 660 HB3 GLU 78 HB3 GLU 78 12.097 -2.654 9.500 661 HG2 GLU 78 HG2 GLU 78 13.076 -2.698 11.741 662 HG3 GLU 78 HG3 GLU 78 12.161 -1.249 12.161 663 H LEU 79 H LEU 79 11.540 0.256 8.230 664 HA LEU 79 HA LEU 79 11.869 -0.796 5.724 665 HB2 LEU 79 HB2 LEU 79 10.703 1.078 4.867 666 HB3 LEU 79 HB3 LEU 79 10.092 0.807 6.485 667 HG LEU 79 HG LEU 79 11.935 2.620 7.096 668 HD11 LEU 79 HD11 LEU 79 12.308 2.590 4.419 669 HD12 LEU 79 HD12 LEU 79 12.639 3.981 5.451 670 HD13 LEU 79 HD13 LEU 79 11.115 3.880 4.571 671 HD21 LEU 79 HD21 LEU 79 10.179 4.319 6.950 672 HD22 LEU 79 HD22 LEU 79 9.552 2.794 7.572 673 HD23 LEU 79 HD23 LEU 79 9.241 3.259 5.900 674 HA PRO 80 HA PRO 80 15.572 0.378 3.658 675 HB2 PRO 80 HB2 PRO 80 13.910 2.181 1.937 676 HB3 PRO 80 HB3 PRO 80 15.156 1.017 1.468 677 HG2 PRO 80 HG2 PRO 80 12.580 0.414 1.200 678 HG3 PRO 80 HG3 PRO 80 13.745 -0.805 1.744 679 HD2 PRO 80 HD2 PRO 80 11.673 0.655 3.290 680 HD3 PRO 80 HD3 PRO 80 12.340 -0.969 3.548 681 H GLU 81 H GLU 81 16.476 1.547 5.378 682 HA GLU 81 HA GLU 81 15.883 4.116 6.197 683 HB2 GLU 81 HB2 GLU 81 17.443 2.549 7.337 684 HB3 GLU 81 HB3 GLU 81 18.638 2.879 6.089 685 HG2 GLU 81 HG2 GLU 81 18.959 5.073 6.805 686 HG3 GLU 81 HG3 GLU 81 17.457 5.087 7.729 687 H SER 82 H SER 82 17.610 3.064 3.364 688 HA SER 82 HA SER 82 18.956 5.459 2.749 689 HB2 SER 82 HB2 SER 82 19.100 4.565 0.460 690 HB3 SER 82 HB3 SER 82 19.481 3.321 1.651 691 HG SER 82 HG SER 82 16.980 3.675 0.353 692 H LEU 83 H LEU 83 15.688 4.342 2.106 693 HA LEU 83 HA LEU 83 15.030 6.547 0.388 694 HB2 LEU 83 HB2 LEU 83 13.929 4.067 0.910 695 HB3 LEU 83 HB3 LEU 83 12.785 5.169 1.653 696 HG LEU 83 HG LEU 83 13.663 5.199 -1.234 697 HD11 LEU 83 HD11 LEU 83 11.370 4.043 0.222 698 HD12 LEU 83 HD12 LEU 83 12.152 3.519 -1.269 699 HD13 LEU 83 HD13 LEU 83 11.009 4.862 -1.297 700 HD21 LEU 83 HD21 LEU 83 11.796 6.893 -1.423 701 HD22 LEU 83 HD22 LEU 83 13.272 7.449 -0.632 702 HD23 LEU 83 HD23 LEU 83 11.859 7.023 0.335 703 H SER 84 H SER 84 14.858 5.862 3.799 704 HA SER 84 HA SER 84 12.955 7.702 4.637 705 HB2 SER 84 HB2 SER 84 13.851 7.465 6.800 706 HB3 SER 84 HB3 SER 84 14.261 5.945 6.006 707 HG SER 84 HG SER 84 15.945 8.176 6.476 708 H ARG 85 H ARG 85 16.192 8.213 3.484 709 HA ARG 85 HA ARG 85 16.737 10.728 4.565 710 HB2 ARG 85 HB2 ARG 85 17.622 9.281 2.099 711 HB3 ARG 85 HB3 ARG 85 18.063 10.970 2.308 712 HG2 ARG 85 HG2 ARG 85 19.773 10.343 3.558 713 HG3 ARG 85 HG3 ARG 85 18.645 9.677 4.741 714 HD2 ARG 85 HD2 ARG 85 18.665 7.541 3.626 715 HD3 ARG 85 HD3 ARG 85 19.652 8.191 2.317 716 HE ARG 85 HE ARG 85 21.509 7.952 3.641 717 HH11 ARG 85 HH11 ARG 85 18.653 7.641 5.622 718 HH12 ARG 85 HH12 ARG 85 19.530 7.118 7.022 719 HH21 ARG 85 HH21 ARG 85 22.662 7.267 5.481 720 HH22 ARG 85 HH22 ARG 85 21.806 6.907 6.942 721 H LYS 86 H LYS 86 15.110 9.860 1.526 722 HA LYS 86 HA LYS 86 14.568 12.597 0.845 723 HB2 LYS 86 HB2 LYS 86 13.843 9.929 -0.304 724 HB3 LYS 86 HB3 LYS 86 12.958 11.358 -0.824 725 HG2 LYS 86 HG2 LYS 86 14.691 11.014 -2.391 726 HG3 LYS 86 HG3 LYS 86 15.169 12.395 -1.402 727 HD2 LYS 86 HD2 LYS 86 17.091 11.015 -1.657 728 HD3 LYS 86 HD3 LYS 86 16.515 10.803 -0.003 729 HE2 LYS 86 HE2 LYS 86 17.126 8.661 -0.980 730 HE3 LYS 86 HE3 LYS 86 15.392 8.730 -0.665 731 HZ1 LYS 86 HZ1 LYS 86 15.989 7.766 -2.851 732 HZ2 LYS 86 HZ2 LYS 86 16.617 9.267 -3.314 733 HZ3 LYS 86 HZ3 LYS 86 14.969 9.110 -2.966 734 H ILE 87 H ILE 87 12.804 9.942 2.327 735 HA ILE 87 HA ILE 87 10.252 11.146 2.318 736 HB ILE 87 HB ILE 87 11.310 9.130 4.302 737 HG12 ILE 87 HG12 ILE 87 9.755 8.526 1.791 738 HG13 ILE 87 HG13 ILE 87 11.515 8.561 1.806 739 HG21 ILE 87 HG21 ILE 87 8.844 8.469 4.300 740 HG22 ILE 87 HG22 ILE 87 8.551 10.033 3.542 741 HG23 ILE 87 HG23 ILE 87 9.285 9.952 5.143 742 HD11 ILE 87 HD11 ILE 87 10.031 6.869 3.765 743 HD12 ILE 87 HD12 ILE 87 11.669 6.684 3.136 744 HD13 ILE 87 HD13 ILE 87 10.284 6.316 2.108 745 H GLY 88 H GLY 88 13.056 11.673 4.258 746 HA2 GLY 88 HA2 GLY 88 11.796 12.666 6.593 747 HA3 GLY 88 HA3 GLY 88 13.451 12.984 6.101 748 H THR 89 H THR 89 12.564 14.150 3.518 749 HA THR 89 HA THR 89 12.186 16.829 4.498 750 HB THR 89 HB THR 89 13.678 16.105 2.539 751 HG1 THR 89 HG1 THR 89 11.869 18.267 2.253 752 HG21 THR 89 HG21 THR 89 12.867 15.674 0.479 753 HG22 THR 89 HG22 THR 89 11.407 16.632 0.729 754 HG23 THR 89 HG23 THR 89 11.526 15.013 1.415 755 H VAL 90 H VAL 90 10.249 14.439 2.782 756 HA VAL 90 HA VAL 90 8.100 16.239 2.208 757 HB VAL 90 HB VAL 90 8.485 14.209 0.868 758 HG11 VAL 90 HG11 VAL 90 9.166 12.715 2.681 759 HG12 VAL 90 HG12 VAL 90 7.859 12.018 1.725 760 HG13 VAL 90 HG13 VAL 90 7.519 12.721 3.307 761 HG21 VAL 90 HG21 VAL 90 5.849 14.642 2.216 762 HG22 VAL 90 HG22 VAL 90 6.043 13.362 1.018 763 HG23 VAL 90 HG23 VAL 90 6.344 15.041 0.571 764 H VAL 91 H VAL 91 8.723 13.840 4.741 765 HA VAL 91 HA VAL 91 6.224 13.887 5.984 766 HB VAL 91 HB VAL 91 8.924 13.525 7.297 767 HG11 VAL 91 HG11 VAL 91 6.938 12.010 8.591 768 HG12 VAL 91 HG12 VAL 91 6.278 13.633 8.395 769 HG13 VAL 91 HG13 VAL 91 7.819 13.401 9.221 770 HG21 VAL 91 HG21 VAL 91 8.957 11.383 6.597 771 HG22 VAL 91 HG22 VAL 91 7.908 11.994 5.317 772 HG23 VAL 91 HG23 VAL 91 7.208 11.203 6.727 773 H ARG 92 H ARG 92 8.878 16.149 6.105 774 HA ARG 92 HA ARG 92 8.263 17.567 8.418 775 HB2 ARG 92 HB2 ARG 92 10.084 17.818 6.345 776 HB3 ARG 92 HB3 ARG 92 9.123 19.283 6.218 777 HG2 ARG 92 HG2 ARG 92 9.718 19.997 8.367 778 HG3 ARG 92 HG3 ARG 92 10.309 18.399 8.825 779 HD2 ARG 92 HD2 ARG 92 12.249 18.616 7.551 780 HD3 ARG 92 HD3 ARG 92 11.572 19.918 6.573 781 HE ARG 92 HE ARG 92 11.853 20.587 9.355 782 HH11 ARG 92 HH11 ARG 92 13.462 20.483 6.259 783 HH12 ARG 92 HH12 ARG 92 14.612 21.710 6.675 784 HH21 ARG 92 HH21 ARG 92 13.363 22.201 9.902 785 HH22 ARG 92 HH22 ARG 92 14.557 22.685 8.743 786 H VAL 93 H VAL 93 6.709 17.534 5.314 787 HA VAL 93 HA VAL 93 5.211 19.955 5.740 788 HB VAL 93 HB VAL 93 4.719 17.783 3.697 789 HG11 VAL 93 HG11 VAL 93 3.085 19.846 4.363 790 HG12 VAL 93 HG12 VAL 93 3.154 19.102 2.766 791 HG13 VAL 93 HG13 VAL 93 4.060 20.580 3.090 792 HG21 VAL 93 HG21 VAL 93 6.346 18.600 2.375 793 HG22 VAL 93 HG22 VAL 93 7.016 19.207 3.890 794 HG23 VAL 93 HG23 VAL 93 6.048 20.268 2.865 795 H LEU 94 H LEU 94 4.643 16.485 6.050 796 HA LEU 94 HA LEU 94 2.205 17.094 7.564 797 HB2 LEU 94 HB2 LEU 94 2.348 15.714 5.033 798 HB3 LEU 94 HB3 LEU 94 1.683 14.668 6.273 799 HG LEU 94 HG LEU 94 0.623 17.352 5.420 800 HD11 LEU 94 HD11 LEU 94 -0.479 16.127 3.931 801 HD12 LEU 94 HD12 LEU 94 -1.379 15.451 5.288 802 HD13 LEU 94 HD13 LEU 94 0.049 14.617 4.674 803 HD21 LEU 94 HD21 LEU 94 -1.255 16.754 7.019 804 HD22 LEU 94 HD22 LEU 94 0.255 17.316 7.733 805 HD23 LEU 94 HD23 LEU 94 -0.132 15.598 7.726 806 HA PRO 95 HA PRO 95 4.942 14.082 9.789 807 HB2 PRO 95 HB2 PRO 95 5.060 15.425 12.126 808 HB3 PRO 95 HB3 PRO 95 6.153 15.778 10.783 809 HG2 PRO 95 HG2 PRO 95 3.673 17.219 11.637 810 HG3 PRO 95 HG3 PRO 95 5.229 17.886 11.111 811 HD2 PRO 95 HD2 PRO 95 3.049 17.701 9.483 812 HD3 PRO 95 HD3 PRO 95 4.720 17.647 8.887 813 H SER 96 H SER 96 1.821 15.343 10.019 814 HA SER 96 HA SER 96 1.096 13.542 12.219 815 HB2 SER 96 HB2 SER 96 -0.931 14.860 12.461 816 HB3 SER 96 HB3 SER 96 0.466 15.937 12.465 817 HG SER 96 HG SER 96 0.013 16.471 10.328 818 H SER 97 H SER 97 0.450 14.306 8.837 819 HA SER 97 HA SER 97 -1.795 12.587 8.558 820 HB2 SER 97 HB2 SER 97 -1.384 14.327 6.916 821 HB3 SER 97 HB3 SER 97 0.161 13.599 6.484 822 HG SER 97 HG SER 97 -1.469 13.018 5.005 823 H LEU 98 H LEU 98 1.678 12.127 8.100 824 HA LEU 98 HA LEU 98 1.694 9.626 6.917 825 HB2 LEU 98 HB2 LEU 98 3.609 11.301 7.793 826 HB3 LEU 98 HB3 LEU 98 3.688 10.090 9.056 827 HG LEU 98 HG LEU 98 4.252 9.769 6.124 828 HD11 LEU 98 HD11 LEU 98 5.910 10.361 8.132 829 HD12 LEU 98 HD12 LEU 98 6.391 9.378 6.750 830 HD13 LEU 98 HD13 LEU 98 5.925 8.602 8.263 831 HD21 LEU 98 HD21 LEU 98 2.865 7.901 6.548 832 HD22 LEU 98 HD22 LEU 98 3.593 7.627 8.131 833 HD23 LEU 98 HD23 LEU 98 4.525 7.314 6.667 834 H GLU 99 H GLU 99 1.084 10.503 10.247 835 HA GLU 99 HA GLU 99 1.410 8.031 11.487 836 HB2 GLU 99 HB2 GLU 99 0.231 10.576 12.129 837 HB3 GLU 99 HB3 GLU 99 -0.806 9.281 12.711 838 HG2 GLU 99 HG2 GLU 99 0.507 9.089 14.475 839 HG3 GLU 99 HG3 GLU 99 1.798 8.536 13.409 840 H ILE 100 H ILE 100 -1.221 9.275 9.546 841 HA ILE 100 HA ILE 100 -3.076 7.203 10.206 842 HB ILE 100 HB ILE 100 -3.092 8.962 7.753 843 HG12 ILE 100 HG12 ILE 100 -4.838 9.658 10.021 844 HG13 ILE 100 HG13 ILE 100 -3.118 9.883 10.329 845 HG21 ILE 100 HG21 ILE 100 -4.759 7.525 7.264 846 HG22 ILE 100 HG22 ILE 100 -5.675 8.537 8.380 847 HG23 ILE 100 HG23 ILE 100 -4.966 7.025 8.943 848 HD11 ILE 100 HD11 ILE 100 -4.939 11.385 8.602 849 HD12 ILE 100 HD12 ILE 100 -3.364 11.032 7.891 850 HD13 ILE 100 HD13 ILE 100 -3.465 11.896 9.424 851 H PHE 101 H PHE 101 -0.664 7.700 7.702 852 HA PHE 101 HA PHE 101 -1.462 5.425 6.146 853 HB2 PHE 101 HB2 PHE 101 1.016 7.155 6.103 854 HB3 PHE 101 HB3 PHE 101 0.736 5.832 4.976 855 HD1 PHE 101 HD1 PHE 101 -1.656 5.944 3.797 856 HD2 PHE 101 HD2 PHE 101 0.460 9.265 5.410 857 HE1 PHE 101 HE1 PHE 101 -2.923 7.459 2.330 858 HE2 PHE 101 HE2 PHE 101 -0.804 10.786 3.947 859 HZ PHE 101 HZ PHE 101 -2.498 9.883 2.404 860 H GLU 102 H GLU 102 0.869 6.065 8.690 861 HA GLU 102 HA GLU 102 2.425 3.748 8.466 862 HB2 GLU 102 HB2 GLU 102 1.866 5.743 10.578 863 HB3 GLU 102 HB3 GLU 102 2.465 4.189 11.139 864 HG2 GLU 102 HG2 GLU 102 4.213 4.650 9.164 865 HG3 GLU 102 HG3 GLU 102 3.823 6.312 9.609 866 H GLU 103 H GLU 103 -0.467 4.370 10.447 867 HA GLU 103 HA GLU 103 -0.622 1.709 11.444 868 HB2 GLU 103 HB2 GLU 103 -2.386 4.114 11.486 869 HB3 GLU 103 HB3 GLU 103 -3.110 2.553 11.846 870 HG2 GLU 103 HG2 GLU 103 -2.300 2.583 13.902 871 HG3 GLU 103 HG3 GLU 103 -0.663 2.862 13.310 872 H LEU 104 H LEU 104 -1.745 3.315 8.585 873 HA LEU 104 HA LEU 104 -3.791 1.538 7.827 874 HB2 LEU 104 HB2 LEU 104 -3.158 3.855 6.875 875 HB3 LEU 104 HB3 LEU 104 -2.023 2.974 5.871 876 HG LEU 104 HG LEU 104 -5.004 2.502 5.907 877 HD11 LEU 104 HD11 LEU 104 -4.941 3.567 3.671 878 HD12 LEU 104 HD12 LEU 104 -3.265 4.025 3.974 879 HD13 LEU 104 HD13 LEU 104 -4.554 4.675 4.986 880 HD21 LEU 104 HD21 LEU 104 -2.724 1.311 4.369 881 HD22 LEU 104 HD22 LEU 104 -4.355 1.348 3.698 882 HD23 LEU 104 HD23 LEU 104 -4.044 0.499 5.212 883 H TYR 105 H TYR 105 -0.349 1.658 6.922 884 HA TYR 105 HA TYR 105 -0.451 -0.700 5.346 885 HB2 TYR 105 HB2 TYR 105 1.829 -0.407 5.002 886 HB3 TYR 105 HB3 TYR 105 1.304 1.232 5.359 887 HD1 TYR 105 HD1 TYR 105 2.775 -1.779 7.003 888 HD2 TYR 105 HD2 TYR 105 2.392 2.458 6.999 889 HE1 TYR 105 HE1 TYR 105 4.452 -1.633 8.797 890 HE2 TYR 105 HE2 TYR 105 4.070 2.617 8.790 891 HH TYR 105 HH TYR 105 5.978 -0.079 9.769 892 H LYS 106 H LYS 106 -0.211 -0.143 8.731 893 HA LYS 106 HA LYS 106 1.111 -2.524 9.489 894 HB2 LYS 106 HB2 LYS 106 0.598 -0.378 10.864 895 HB3 LYS 106 HB3 LYS 106 -0.932 -1.169 11.219 896 HG2 LYS 106 HG2 LYS 106 0.596 -1.606 13.005 897 HG3 LYS 106 HG3 LYS 106 0.330 -3.105 12.113 898 HD2 LYS 106 HD2 LYS 106 2.459 -3.146 11.283 899 HD3 LYS 106 HD3 LYS 106 2.609 -1.388 11.289 900 HE2 LYS 106 HE2 LYS 106 2.452 -1.795 13.918 901 HE3 LYS 106 HE3 LYS 106 3.128 -3.353 13.445 902 HZ1 LYS 106 HZ1 LYS 106 4.286 -0.691 12.818 903 HZ2 LYS 106 HZ2 LYS 106 4.929 -2.177 12.325 904 HZ3 LYS 106 HZ3 LYS 106 4.872 -1.783 13.970 905 H TYR 107 H TYR 107 -2.357 -1.697 9.367 906 HA TYR 107 HA TYR 107 -3.182 -4.326 10.107 907 HB2 TYR 107 HB2 TYR 107 -5.375 -3.546 9.946 908 HB3 TYR 107 HB3 TYR 107 -4.471 -2.098 10.367 909 HD1 TYR 107 HD1 TYR 107 -6.001 -3.912 7.509 910 HD2 TYR 107 HD2 TYR 107 -4.553 -0.192 8.987 911 HE1 TYR 107 HE1 TYR 107 -6.939 -2.772 5.543 912 HE2 TYR 107 HE2 TYR 107 -5.490 0.956 7.026 913 HH TYR 107 HH TYR 107 -6.189 0.489 4.777 914 H ALA 108 H ALA 108 -2.507 -2.723 7.091 915 HA ALA 108 HA ALA 108 -3.879 -4.361 5.305 916 HB1 ALA 108 HB1 ALA 108 -1.722 -3.753 3.846 917 HB2 ALA 108 HB2 ALA 108 -1.526 -2.578 5.145 918 HB3 ALA 108 HB3 ALA 108 -3.008 -2.596 4.187 919 H LEU 109 H LEU 109 -0.984 -4.953 7.134 920 HA LEU 109 HA LEU 109 -0.136 -7.211 5.566 921 HB2 LEU 109 HB2 LEU 109 0.708 -6.460 8.363 922 HB3 LEU 109 HB3 LEU 109 1.557 -7.521 7.255 923 HG LEU 109 HG LEU 109 1.080 -4.664 6.500 924 HD11 LEU 109 HD11 LEU 109 3.647 -5.289 7.793 925 HD12 LEU 109 HD12 LEU 109 2.255 -5.180 8.869 926 HD13 LEU 109 HD13 LEU 109 2.680 -3.816 7.836 927 HD21 LEU 109 HD21 LEU 109 2.720 -6.928 5.598 928 HD22 LEU 109 HD22 LEU 109 3.550 -5.372 5.642 929 HD23 LEU 109 HD23 LEU 109 2.074 -5.558 4.695 930 H ASN 110 H ASN 110 -1.759 -6.738 8.682 931 HA ASN 110 HA ASN 110 -1.917 -9.398 9.484 932 HB2 ASN 110 HB2 ASN 110 -3.634 -6.991 10.028 933 HB3 ASN 110 HB3 ASN 110 -4.061 -8.568 10.686 934 HD21 ASN 110 HD21 ASN 110 -1.845 -5.916 10.799 935 HD22 ASN 110 HD22 ASN 110 -1.015 -6.398 12.236 936 H GLU 111 H GLU 111 -3.610 -7.744 6.978 937 HA GLU 111 HA GLU 111 -5.872 -9.470 6.849 938 HB2 GLU 111 HB2 GLU 111 -4.676 -7.652 4.753 939 HB3 GLU 111 HB3 GLU 111 -6.244 -8.439 4.630 940 HG2 GLU 111 HG2 GLU 111 -5.524 -6.543 6.846 941 HG3 GLU 111 HG3 GLU 111 -6.277 -6.033 5.336 942 H ASN 112 H ASN 112 -2.786 -9.332 5.136 943 HA ASN 112 HA ASN 112 -3.404 -11.640 3.530 944 HB2 ASN 112 HB2 ASN 112 -1.247 -11.350 2.546 945 HB3 ASN 112 HB3 ASN 112 -1.920 -9.740 2.783 946 HD21 ASN 112 HD21 ASN 112 0.258 -12.123 4.197 947 HD22 ASN 112 HD22 ASN 112 1.303 -10.979 4.961 948 H SER 113 H SER 113 -1.545 -10.956 6.429 949 HA SER 113 HA SER 113 -0.981 -13.837 6.692 950 HB2 SER 113 HB2 SER 113 0.859 -11.844 6.690 951 HB3 SER 113 HB3 SER 113 0.507 -11.948 8.415 952 HG SER 113 HG SER 113 1.890 -13.665 6.817 953 H ASN 114 H ASN 114 -1.647 -14.912 8.477 954 HA ASN 114 HA ASN 114 -2.387 -13.645 10.911 955 HB2 ASN 114 HB2 ASN 114 -4.335 -13.305 9.103 956 HB3 ASN 114 HB3 ASN 114 -4.777 -14.911 9.673 957 HD21 ASN 114 HD21 ASN 114 -5.851 -15.098 11.529 958 HD22 ASN 114 HD22 ASN 114 -6.171 -13.801 12.627 959 H ASP 115 H ASP 115 -0.784 -15.361 11.336 960 HA ASP 115 HA ASP 115 -2.101 -17.977 11.656 961 HB2 ASP 115 HB2 ASP 115 -0.182 -17.862 9.976 962 HB3 ASP 115 HB3 ASP 115 0.877 -17.601 11.359 963 H ARG 116 H ARG 116 -1.273 -19.274 13.475 964 HA ARG 116 HA ARG 116 -0.206 -17.636 15.670 965 HB2 ARG 116 HB2 ARG 116 -2.432 -19.646 16.012 966 HB3 ARG 116 HB3 ARG 116 -1.796 -18.543 17.223 967 HG2 ARG 116 HG2 ARG 116 -3.306 -17.037 16.651 968 HG3 ARG 116 HG3 ARG 116 -2.649 -16.990 15.014 969 HD2 ARG 116 HD2 ARG 116 -4.125 -18.700 14.282 970 HD3 ARG 116 HD3 ARG 116 -4.616 -19.075 15.933 971 HE ARG 116 HE ARG 116 -5.701 -17.054 14.245 972 HH11 ARG 116 HH11 ARG 116 -4.994 -17.820 17.576 973 HH12 ARG 116 HH12 ARG 116 -6.233 -16.788 18.206 974 HH21 ARG 116 HH21 ARG 116 -7.332 -15.697 15.073 975 HH22 ARG 116 HH22 ARG 116 -7.560 -15.582 16.786 976 H SER 117 H SER 117 1.136 -19.508 13.940 977 HA SER 117 HA SER 117 1.667 -21.752 15.760 978 HB2 SER 117 HB2 SER 117 2.605 -21.500 12.900 979 HB3 SER 117 HB3 SER 117 2.543 -22.954 13.894 980 HG SER 117 HG SER 117 0.785 -22.950 12.510 981 H GLU 118 H GLU 118 3.617 -22.021 16.700 982 HA GLU 118 HA GLU 118 5.842 -20.312 15.847 983 HB2 GLU 118 HB2 GLU 118 4.542 -19.332 17.823 984 HB3 GLU 118 HB3 GLU 118 5.170 -20.682 18.760 985 HG2 GLU 118 HG2 GLU 118 7.175 -19.154 17.248 986 HG3 GLU 118 HG3 GLU 118 6.374 -18.281 18.554 987 H HIS 119 H HIS 119 6.908 -22.087 14.989 988 HA HIS 119 HA HIS 119 8.293 -23.890 14.970 989 HB2 HIS 119 HB2 HIS 119 8.513 -23.254 17.921 990 HB3 HIS 119 HB3 HIS 119 9.561 -24.372 17.052 991 HD1 HIS 119 HD1 HIS 119 10.071 -22.649 14.523 992 HD2 HIS 119 HD2 HIS 119 10.291 -21.245 18.427 993 HE1 HIS 119 HE1 HIS 119 11.570 -20.632 14.429 994 HE2 HIS 119 HE2 HIS 119 11.761 -19.854 16.817 995 H HIS 120 H HIS 120 8.583 -26.150 15.822 996 HA HIS 120 HA HIS 120 6.276 -27.194 17.270 997 HB2 HIS 120 HB2 HIS 120 6.144 -27.183 14.562 998 HB3 HIS 120 HB3 HIS 120 6.944 -28.728 14.831 999 HD1 HIS 120 HD1 HIS 120 4.982 -30.209 14.221 1000 HD2 HIS 120 HD2 HIS 120 4.069 -27.430 17.172 1001 HE1 HIS 120 HE1 HIS 120 2.721 -30.876 15.095 1002 HE2 HIS 120 HE2 HIS 120 2.232 -29.237 16.944 1003 H LYS 121 H LYS 121 7.662 -27.787 18.923 1004 HA LYS 121 HA LYS 121 9.123 -30.246 18.459 1005 HB2 LYS 121 HB2 LYS 121 11.175 -29.407 19.579 1006 HB3 LYS 121 HB3 LYS 121 10.868 -28.632 18.030 1007 HG2 LYS 121 HG2 LYS 121 9.789 -26.753 19.347 1008 HG3 LYS 121 HG3 LYS 121 10.493 -27.497 20.783 1009 HD2 LYS 121 HD2 LYS 121 12.671 -27.430 19.239 1010 HD3 LYS 121 HD3 LYS 121 11.802 -26.060 18.545 1011 HE2 LYS 121 HE2 LYS 121 11.603 -25.065 20.773 1012 HE3 LYS 121 HE3 LYS 121 12.473 -26.434 21.463 1013 HZ1 LYS 121 HZ1 LYS 121 14.206 -25.673 19.617 1014 HZ2 LYS 121 HZ2 LYS 121 14.209 -25.041 21.186 1015 HZ3 LYS 121 HZ3 LYS 121 13.483 -24.177 19.928 1016 H LYS 122 H LYS 122 8.333 -31.550 19.962 1017 HA LYS 122 HA LYS 122 7.536 -30.436 22.553 1018 HB2 LYS 122 HB2 LYS 122 6.876 -33.056 21.205 1019 HB3 LYS 122 HB3 LYS 122 6.375 -32.644 22.839 1020 HG2 LYS 122 HG2 LYS 122 5.644 -31.070 20.379 1021 HG3 LYS 122 HG3 LYS 122 4.616 -32.283 21.144 1022 HD2 LYS 122 HD2 LYS 122 5.600 -30.317 23.045 1023 HD3 LYS 122 HD3 LYS 122 4.691 -29.574 21.728 1024 HE2 LYS 122 HE2 LYS 122 3.242 -31.858 22.495 1025 HE3 LYS 122 HE3 LYS 122 3.735 -31.062 23.989 1026 HZ1 LYS 122 HZ1 LYS 122 2.851 -28.958 22.932 1027 HZ2 LYS 122 HZ2 LYS 122 1.699 -30.103 23.405 1028 HZ3 LYS 122 HZ3 LYS 122 2.120 -29.949 21.774 1029 HA PRO 123 HA PRO 123 11.397 -32.424 23.907 1030 HB2 PRO 123 HB2 PRO 123 11.729 -30.940 26.128 1031 HB3 PRO 123 HB3 PRO 123 12.117 -30.315 24.520 1032 HG2 PRO 123 HG2 PRO 123 9.675 -29.855 26.192 1033 HG3 PRO 123 HG3 PRO 123 10.621 -28.688 25.248 1034 HD2 PRO 123 HD2 PRO 123 8.291 -29.790 24.362 1035 HD3 PRO 123 HD3 PRO 123 9.592 -29.263 23.278 1036 H ARG 124 H ARG 124 9.277 -34.003 24.226 1037 HA ARG 124 HA ARG 124 9.647 -35.072 26.864 1038 HB2 ARG 124 HB2 ARG 124 7.537 -33.264 26.524 1039 HB3 ARG 124 HB3 ARG 124 6.782 -34.851 26.480 1040 HG2 ARG 124 HG2 ARG 124 6.757 -34.711 28.701 1041 HG3 ARG 124 HG3 ARG 124 8.482 -35.077 28.612 1042 HD2 ARG 124 HD2 ARG 124 8.846 -32.571 28.390 1043 HD3 ARG 124 HD3 ARG 124 7.157 -32.389 28.863 1044 HE ARG 124 HE ARG 124 8.619 -34.024 30.690 1045 HH11 ARG 124 HH11 ARG 124 7.965 -30.715 29.796 1046 HH12 ARG 124 HH12 ARG 124 8.297 -30.090 31.377 1047 HH21 ARG 124 HH21 ARG 124 9.055 -33.206 32.769 1048 HH22 ARG 124 HH22 ARG 124 8.916 -31.506 33.065 1049 H ILE 125 H ILE 125 10.441 -36.797 25.564 1050 HA ILE 125 HA ILE 125 8.589 -38.179 23.809 1051 HB ILE 125 HB ILE 125 11.349 -39.075 24.629 1052 HG12 ILE 125 HG12 ILE 125 10.578 -37.432 22.209 1053 HG13 ILE 125 HG13 ILE 125 11.354 -36.777 23.648 1054 HG21 ILE 125 HG21 ILE 125 11.193 -40.688 23.057 1055 HG22 ILE 125 HG22 ILE 125 10.220 -39.691 21.975 1056 HG23 ILE 125 HG23 ILE 125 9.464 -40.495 23.350 1057 HD11 ILE 125 HD11 ILE 125 12.554 -37.934 21.371 1058 HD12 ILE 125 HD12 ILE 125 12.881 -38.992 22.744 1059 HD13 ILE 125 HD13 ILE 125 13.332 -37.288 22.815 1060 H ASP 126 H ASP 126 7.462 -39.973 24.285 1061 HA ASP 126 HA ASP 126 7.601 -40.962 27.031 1062 HB2 ASP 126 HB2 ASP 126 5.449 -40.309 25.534 1063 HB3 ASP 126 HB3 ASP 126 5.553 -42.030 25.176 1064 H ASP 127 H ASP 127 9.775 -41.724 25.557 1065 HA ASP 127 HA ASP 127 11.025 -43.540 24.998 1066 HB2 ASP 127 HB2 ASP 127 8.820 -44.739 26.623 1067 HB3 ASP 127 HB3 ASP 127 9.914 -45.815 25.758 1068 H SER 128 H SER 128 10.771 -45.843 23.860 1069 HA SER 128 HA SER 128 9.128 -45.327 21.487 1070 HB2 SER 128 HB2 SER 128 10.670 -47.393 20.720 1071 HB3 SER 128 HB3 SER 128 11.202 -45.716 20.612 1072 HG SER 128 HG SER 128 11.680 -47.368 22.864 1073 H SER 129 H SER 129 9.938 -47.891 23.796 1074 HA SER 129 HA SER 129 7.803 -49.573 22.745 1075 HB2 SER 129 HB2 SER 129 9.672 -50.152 25.051 1076 HB3 SER 129 HB3 SER 129 8.679 -51.309 24.166 1077 HG SER 129 HG SER 129 11.105 -50.848 23.642 1078 H ASP 130 H ASP 130 6.676 -50.837 24.721 1079 HA ASP 130 HA ASP 130 5.063 -50.736 26.319 1080 HB2 ASP 130 HB2 ASP 130 7.246 -49.638 27.468 1081 HB3 ASP 130 HB3 ASP 130 6.136 -48.275 27.572 1082 H LEU 131 H LEU 131 4.123 -49.793 24.075 1083 HA LEU 131 HA LEU 131 2.174 -47.876 24.877 1084 HB2 LEU 131 HB2 LEU 131 4.285 -46.523 24.282 1085 HB3 LEU 131 HB3 LEU 131 3.936 -46.962 22.621 1086 HG LEU 131 HG LEU 131 1.900 -45.580 24.351 1087 HD11 LEU 131 HD11 LEU 131 3.983 -44.241 24.268 1088 HD12 LEU 131 HD12 LEU 131 2.619 -43.467 23.465 1089 HD13 LEU 131 HD13 LEU 131 3.877 -44.248 22.508 1090 HD21 LEU 131 HD21 LEU 131 1.093 -44.842 22.097 1091 HD22 LEU 131 HD22 LEU 131 0.966 -46.575 22.399 1092 HD23 LEU 131 HD23 LEU 131 2.266 -45.949 21.385 1093 H LEU 132 H LEU 132 0.702 -49.415 24.209 1094 HA LEU 132 HA LEU 132 0.668 -50.020 21.327 1095 HB2 LEU 132 HB2 LEU 132 0.112 -51.620 23.716 1096 HB3 LEU 132 HB3 LEU 132 -1.127 -51.756 22.482 1097 HG LEU 132 HG LEU 132 1.065 -52.106 20.954 1098 HD11 LEU 132 HD11 LEU 132 1.785 -53.449 23.548 1099 HD12 LEU 132 HD12 LEU 132 2.496 -51.925 23.015 1100 HD13 LEU 132 HD13 LEU 132 2.725 -53.388 22.057 1101 HD21 LEU 132 HD21 LEU 132 -1.048 -53.549 21.426 1102 HD22 LEU 132 HD22 LEU 132 0.030 -54.449 22.492 1103 HD23 LEU 132 HD23 LEU 132 0.403 -54.309 20.774 1104 H LYS 133 H LYS 133 -0.341 -47.926 20.978 1105 HA LYS 133 HA LYS 133 -3.243 -48.097 21.325 1106 HB2 LYS 133 HB2 LYS 133 -1.786 -45.501 21.780 1107 HB3 LYS 133 HB3 LYS 133 -3.468 -45.878 22.127 1108 HG2 LYS 133 HG2 LYS 133 -2.770 -47.387 23.911 1109 HG3 LYS 133 HG3 LYS 133 -1.080 -47.031 23.555 1110 HD2 LYS 133 HD2 LYS 133 -2.201 -44.530 23.868 1111 HD3 LYS 133 HD3 LYS 133 -3.034 -45.501 25.085 1112 HE2 LYS 133 HE2 LYS 133 -0.065 -45.691 24.817 1113 HE3 LYS 133 HE3 LYS 133 -0.778 -44.317 25.661 1114 HZ1 LYS 133 HZ1 LYS 133 -0.714 -47.137 26.423 1115 HZ2 LYS 133 HZ2 LYS 133 -2.086 -46.245 26.856 1116 HZ3 LYS 133 HZ3 LYS 133 -0.557 -45.755 27.384 1117 H THR 134 H THR 134 -3.505 -48.553 19.156 1118 HA THR 134 HA THR 134 -2.963 -46.303 17.347 1119 HB THR 134 HB THR 134 -1.263 -47.880 16.792 1120 HG1 THR 134 HG1 THR 134 -1.740 -48.177 14.699 1121 HG21 THR 134 HG21 THR 134 -2.651 -49.832 17.879 1122 HG22 THR 134 HG22 THR 134 -1.439 -50.139 16.636 1123 HG23 THR 134 HG23 THR 134 -3.149 -50.091 16.207 1124 H ASP 135 H ASP 135 -4.240 -46.584 15.245 1125 HA ASP 135 HA ASP 135 -6.561 -48.186 15.183 1126 HB2 ASP 135 HB2 ASP 135 -6.770 -45.573 16.548 1127 HB3 ASP 135 HB3 ASP 135 -8.021 -45.906 15.356 1128 H GLU 136 H GLU 136 -5.113 -45.104 14.232 1129 HA GLU 136 HA GLU 136 -6.527 -44.703 11.854 1130 HB2 GLU 136 HB2 GLU 136 -4.346 -43.497 13.198 1131 HB3 GLU 136 HB3 GLU 136 -3.818 -43.808 11.551 1132 HG2 GLU 136 HG2 GLU 136 -5.095 -42.188 10.717 1133 HG3 GLU 136 HG3 GLU 136 -6.489 -42.666 11.686 1134 H ILE 137 H ILE 137 -5.901 -45.044 9.657 1135 HA ILE 137 HA ILE 137 -3.962 -47.211 9.228 1136 HB ILE 137 HB ILE 137 -5.499 -48.228 7.561 1137 HG12 ILE 137 HG12 ILE 137 -7.691 -46.609 8.846 1138 HG13 ILE 137 HG13 ILE 137 -6.881 -46.066 7.379 1139 HG21 ILE 137 HG21 ILE 137 -5.290 -49.198 9.769 1140 HG22 ILE 137 HG22 ILE 137 -6.959 -49.326 9.210 1141 HG23 ILE 137 HG23 ILE 137 -6.517 -48.096 10.394 1142 HD11 ILE 137 HD11 ILE 137 -7.593 -48.699 6.860 1143 HD12 ILE 137 HD12 ILE 137 -8.371 -47.241 6.244 1144 HD13 ILE 137 HD13 ILE 137 -8.975 -48.011 7.713 Start of MODEL 17 1 H1 GLY -2 H1 GLY -2 -0.355 16.039 -19.360 2 H2 GLY -2 H2 GLY -2 0.353 14.552 -18.978 3 H3 GLY -2 H3 GLY -2 1.035 15.988 -18.398 4 HA2 GLY -2 HA2 GLY -2 -0.535 16.289 -16.788 5 HA3 GLY -2 HA3 GLY -2 -1.745 15.394 -17.695 6 H HIS -1 H HIS -1 -0.894 12.994 -18.112 7 HA HIS -1 HA HIS -1 -0.564 10.944 -17.183 8 HB2 HIS -1 HB2 HIS -1 1.375 12.460 -15.423 9 HB3 HIS -1 HB3 HIS -1 1.299 10.709 -15.578 10 HD1 HIS -1 HD1 HIS -1 1.996 9.721 -17.944 11 HD2 HIS -1 HD2 HIS -1 2.830 13.750 -17.363 12 HE1 HIS -1 HE1 HIS -1 3.634 10.336 -19.751 13 HE2 HIS -1 HE2 HIS -1 4.056 12.800 -19.433 14 H MET 0 H MET 0 -2.509 10.463 -16.286 15 HA MET 0 HA MET 0 -2.683 10.481 -13.423 16 HB2 MET 0 HB2 MET 0 -4.666 11.815 -13.186 17 HB3 MET 0 HB3 MET 0 -3.459 12.775 -14.028 18 HG2 MET 0 HG2 MET 0 -4.643 11.908 -16.170 19 HG3 MET 0 HG3 MET 0 -5.979 11.569 -15.070 20 HE1 MET 0 HE1 MET 0 -7.272 14.343 -13.670 21 HE2 MET 0 HE2 MET 0 -5.712 15.032 -13.225 22 HE3 MET 0 HE3 MET 0 -5.993 13.300 -13.050 23 H MET 1 H MET 1 -5.440 10.040 -13.173 24 HA MET 1 HA MET 1 -7.009 8.403 -13.328 25 HB2 MET 1 HB2 MET 1 -5.962 8.588 -16.103 26 HB3 MET 1 HB3 MET 1 -6.908 7.161 -15.701 27 HG2 MET 1 HG2 MET 1 -8.792 8.497 -15.097 28 HG3 MET 1 HG3 MET 1 -7.851 9.979 -15.247 29 HE1 MET 1 HE1 MET 1 -7.229 10.191 -19.093 30 HE2 MET 1 HE2 MET 1 -6.187 9.648 -17.778 31 HE3 MET 1 HE3 MET 1 -7.175 11.095 -17.579 32 H SER 2 H SER 2 -5.851 7.233 -11.704 33 HA SER 2 HA SER 2 -5.300 4.556 -12.430 34 HB2 SER 2 HB2 SER 2 -3.172 5.314 -13.211 35 HB3 SER 2 HB3 SER 2 -2.930 6.314 -11.779 36 HG SER 2 HG SER 2 -1.851 4.150 -11.911 37 H LYS 3 H LYS 3 -7.041 4.752 -10.765 38 HA LYS 3 HA LYS 3 -6.237 5.356 -8.065 39 HB2 LYS 3 HB2 LYS 3 -8.554 5.731 -9.008 40 HB3 LYS 3 HB3 LYS 3 -8.772 3.986 -8.963 41 HG2 LYS 3 HG2 LYS 3 -9.696 4.492 -6.963 42 HG3 LYS 3 HG3 LYS 3 -8.015 4.355 -6.440 43 HD2 LYS 3 HD2 LYS 3 -7.850 6.551 -5.992 44 HD3 LYS 3 HD3 LYS 3 -8.761 7.012 -7.431 45 HE2 LYS 3 HE2 LYS 3 -10.708 5.879 -5.921 46 HE3 LYS 3 HE3 LYS 3 -9.673 6.568 -4.671 47 HZ1 LYS 3 HZ1 LYS 3 -10.912 8.384 -5.095 48 HZ2 LYS 3 HZ2 LYS 3 -11.312 7.903 -6.667 49 HZ3 LYS 3 HZ3 LYS 3 -9.807 8.609 -6.355 50 H LEU 4 H LEU 4 -5.122 4.005 -6.840 51 HA LEU 4 HA LEU 4 -5.824 1.196 -6.740 52 HB2 LEU 4 HB2 LEU 4 -3.149 2.181 -7.696 53 HB3 LEU 4 HB3 LEU 4 -3.327 0.607 -6.943 54 HG LEU 4 HG LEU 4 -4.835 1.470 -9.410 55 HD11 LEU 4 HD11 LEU 4 -2.173 1.101 -9.364 56 HD12 LEU 4 HD12 LEU 4 -3.195 0.683 -10.740 57 HD13 LEU 4 HD13 LEU 4 -2.709 -0.564 -9.590 58 HD21 LEU 4 HD21 LEU 4 -5.912 -0.286 -8.071 59 HD22 LEU 4 HD22 LEU 4 -4.436 -1.248 -8.162 60 HD23 LEU 4 HD23 LEU 4 -5.350 -0.892 -9.627 61 H PHE 5 H PHE 5 -6.011 3.404 -4.918 62 HA PHE 5 HA PHE 5 -4.253 2.405 -2.778 63 HB2 PHE 5 HB2 PHE 5 -3.511 4.639 -3.557 64 HB3 PHE 5 HB3 PHE 5 -5.103 5.282 -3.173 65 HD1 PHE 5 HD1 PHE 5 -5.873 5.259 -0.780 66 HD2 PHE 5 HD2 PHE 5 -1.855 4.433 -1.912 67 HE1 PHE 5 HE1 PHE 5 -5.135 5.718 1.522 68 HE2 PHE 5 HE2 PHE 5 -1.109 4.889 0.388 69 HZ PHE 5 HZ PHE 5 -2.751 5.532 2.107 70 H LEU 6 H LEU 6 -7.000 4.664 -3.041 71 HA LEU 6 HA LEU 6 -8.150 3.867 -0.589 72 HB2 LEU 6 HB2 LEU 6 -9.531 5.207 -2.913 73 HB3 LEU 6 HB3 LEU 6 -10.061 5.204 -1.242 74 HG LEU 6 HG LEU 6 -7.570 6.296 -1.004 75 HD11 LEU 6 HD11 LEU 6 -7.900 6.309 -3.702 76 HD12 LEU 6 HD12 LEU 6 -6.891 7.444 -2.804 77 HD13 LEU 6 HD13 LEU 6 -8.533 7.895 -3.261 78 HD21 LEU 6 HD21 LEU 6 -8.848 8.503 -0.991 79 HD22 LEU 6 HD22 LEU 6 -9.397 7.248 0.119 80 HD23 LEU 6 HD23 LEU 6 -10.274 7.543 -1.382 81 H ASP 7 H ASP 7 -8.480 2.692 -3.851 82 HA ASP 7 HA ASP 7 -10.911 1.341 -3.663 83 HB2 ASP 7 HB2 ASP 7 -9.069 1.670 -5.626 84 HB3 ASP 7 HB3 ASP 7 -8.779 -0.013 -5.200 85 H GLU 8 H GLU 8 -7.733 0.496 -2.484 86 HA GLU 8 HA GLU 8 -8.478 -2.222 -1.847 87 HB2 GLU 8 HB2 GLU 8 -6.017 -0.615 -1.138 88 HB3 GLU 8 HB3 GLU 8 -6.230 -2.327 -0.800 89 HG2 GLU 8 HG2 GLU 8 -6.507 -1.330 -3.595 90 HG3 GLU 8 HG3 GLU 8 -4.904 -1.556 -2.897 91 H LEU 9 H LEU 9 -7.883 0.791 -0.085 92 HA LEU 9 HA LEU 9 -8.356 -0.329 2.492 93 HB2 LEU 9 HB2 LEU 9 -8.093 2.435 1.389 94 HB3 LEU 9 HB3 LEU 9 -8.734 2.223 3.008 95 HG LEU 9 HG LEU 9 -6.068 1.123 2.125 96 HD11 LEU 9 HD11 LEU 9 -6.302 3.496 3.897 97 HD12 LEU 9 HD12 LEU 9 -6.477 3.726 2.159 98 HD13 LEU 9 HD13 LEU 9 -4.998 3.019 2.810 99 HD21 LEU 9 HD21 LEU 9 -5.656 0.829 4.472 100 HD22 LEU 9 HD22 LEU 9 -7.181 0.041 4.063 101 HD23 LEU 9 HD23 LEU 9 -7.188 1.602 4.881 102 HA PRO 10 HA PRO 10 -12.732 -0.344 2.920 103 HB2 PRO 10 HB2 PRO 10 -13.118 1.051 5.269 104 HB3 PRO 10 HB3 PRO 10 -12.638 -0.647 5.178 105 HG2 PRO 10 HG2 PRO 10 -10.949 1.780 5.615 106 HG3 PRO 10 HG3 PRO 10 -10.845 0.187 6.387 107 HD2 PRO 10 HD2 PRO 10 -9.157 0.914 4.432 108 HD3 PRO 10 HD3 PRO 10 -9.745 -0.756 4.577 109 H GLU 11 H GLU 11 -14.598 1.315 3.726 110 HA GLU 11 HA GLU 11 -14.272 3.640 1.975 111 HB2 GLU 11 HB2 GLU 11 -16.766 3.786 2.139 112 HB3 GLU 11 HB3 GLU 11 -16.174 2.294 1.422 113 HG2 GLU 11 HG2 GLU 11 -16.507 2.081 4.295 114 HG3 GLU 11 HG3 GLU 11 -18.001 2.525 3.473 115 H SER 12 H SER 12 -14.911 2.749 5.291 116 HA SER 12 HA SER 12 -15.787 5.279 6.203 117 HB2 SER 12 HB2 SER 12 -15.983 3.006 7.385 118 HB3 SER 12 HB3 SER 12 -14.321 3.274 7.910 119 HG SER 12 HG SER 12 -16.293 4.060 9.223 120 H LEU 13 H LEU 13 -12.596 3.713 6.222 121 HA LEU 13 HA LEU 13 -11.304 6.030 7.332 122 HB2 LEU 13 HB2 LEU 13 -10.102 3.573 6.057 123 HB3 LEU 13 HB3 LEU 13 -9.233 4.773 6.994 124 HG LEU 13 HG LEU 13 -11.481 3.145 8.159 125 HD11 LEU 13 HD11 LEU 13 -8.643 2.477 8.720 126 HD12 LEU 13 HD12 LEU 13 -9.351 1.901 7.212 127 HD13 LEU 13 HD13 LEU 13 -10.078 1.451 8.754 128 HD21 LEU 13 HD21 LEU 13 -10.831 5.239 9.302 129 HD22 LEU 13 HD22 LEU 13 -9.188 4.612 9.455 130 HD23 LEU 13 HD23 LEU 13 -10.523 3.798 10.271 131 H SER 14 H SER 14 -11.933 4.762 4.153 132 HA SER 14 HA SER 14 -9.987 6.077 2.659 133 HB2 SER 14 HB2 SER 14 -12.644 4.902 2.116 134 HB3 SER 14 HB3 SER 14 -12.096 6.104 0.948 135 HG SER 14 HG SER 14 -11.191 4.307 0.191 136 H ARG 15 H ARG 15 -12.957 7.274 4.063 137 HA ARG 15 HA ARG 15 -13.059 9.710 2.600 138 HB2 ARG 15 HB2 ARG 15 -14.453 8.538 4.928 139 HB3 ARG 15 HB3 ARG 15 -14.415 10.295 4.870 140 HG2 ARG 15 HG2 ARG 15 -16.159 10.220 3.511 141 HG3 ARG 15 HG3 ARG 15 -15.109 9.501 2.289 142 HD2 ARG 15 HD2 ARG 15 -16.047 7.480 2.518 143 HD3 ARG 15 HD3 ARG 15 -16.050 7.582 4.277 144 HE ARG 15 HE ARG 15 -18.252 8.020 2.572 145 HH11 ARG 15 HH11 ARG 15 -16.760 9.310 5.451 146 HH12 ARG 15 HH12 ARG 15 -18.244 9.925 6.094 147 HH21 ARG 15 HH21 ARG 15 -20.205 8.828 3.418 148 HH22 ARG 15 HH22 ARG 15 -20.201 9.651 4.941 149 H LYS 16 H LYS 16 -11.742 8.806 5.759 150 HA LYS 16 HA LYS 16 -10.966 11.409 6.537 151 HB2 LYS 16 HB2 LYS 16 -10.232 8.640 7.405 152 HB3 LYS 16 HB3 LYS 16 -9.284 10.003 7.988 153 HG2 LYS 16 HG2 LYS 16 -10.952 10.777 9.310 154 HG3 LYS 16 HG3 LYS 16 -12.225 10.219 8.222 155 HD2 LYS 16 HD2 LYS 16 -11.214 7.852 9.009 156 HD3 LYS 16 HD3 LYS 16 -10.873 8.820 10.445 157 HE2 LYS 16 HE2 LYS 16 -13.334 9.582 10.224 158 HE3 LYS 16 HE3 LYS 16 -13.513 8.167 9.188 159 HZ1 LYS 16 HZ1 LYS 16 -13.966 7.179 11.143 160 HZ2 LYS 16 HZ2 LYS 16 -13.123 8.323 12.063 161 HZ3 LYS 16 HZ3 LYS 16 -12.282 7.085 11.274 162 H ILE 17 H ILE 17 -9.347 8.872 4.709 163 HA ILE 17 HA ILE 17 -6.802 10.160 4.651 164 HB ILE 17 HB ILE 17 -7.851 8.096 2.712 165 HG12 ILE 17 HG12 ILE 17 -6.184 7.485 5.139 166 HG13 ILE 17 HG13 ILE 17 -7.940 7.565 5.256 167 HG21 ILE 17 HG21 ILE 17 -5.899 8.657 1.731 168 HG22 ILE 17 HG22 ILE 17 -5.217 7.602 2.970 169 HG23 ILE 17 HG23 ILE 17 -5.231 9.350 3.209 170 HD11 ILE 17 HD11 ILE 17 -6.498 5.339 4.650 171 HD12 ILE 17 HD12 ILE 17 -6.977 5.911 3.052 172 HD13 ILE 17 HD13 ILE 17 -8.204 5.581 4.274 173 H GLY 18 H GLY 18 -9.700 10.351 2.725 174 HA2 GLY 18 HA2 GLY 18 -8.556 11.522 0.410 175 HA3 GLY 18 HA3 GLY 18 -10.248 11.599 0.875 176 H THR 19 H THR 19 -9.588 12.848 3.476 177 HA THR 19 HA THR 19 -9.588 15.570 2.550 178 HB THR 19 HB THR 19 -11.021 14.815 4.421 179 HG1 THR 19 HG1 THR 19 -10.588 16.605 5.739 180 HG21 THR 19 HG21 THR 19 -10.134 13.478 5.954 181 HG22 THR 19 HG22 THR 19 -9.459 14.947 6.657 182 HG23 THR 19 HG23 THR 19 -8.486 13.965 5.561 183 H VAL 20 H VAL 20 -7.305 13.396 4.049 184 HA VAL 20 HA VAL 20 -5.403 15.462 4.696 185 HB VAL 20 HB VAL 20 -4.848 12.502 4.544 186 HG11 VAL 20 HG11 VAL 20 -3.252 13.142 6.405 187 HG12 VAL 20 HG12 VAL 20 -3.567 14.820 5.966 188 HG13 VAL 20 HG13 VAL 20 -2.844 13.722 4.790 189 HG21 VAL 20 HG21 VAL 20 -6.521 14.003 6.428 190 HG22 VAL 20 HG22 VAL 20 -5.286 12.998 7.187 191 HG23 VAL 20 HG23 VAL 20 -6.461 12.274 6.090 192 H VAL 21 H VAL 21 -5.580 12.838 2.300 193 HA VAL 21 HA VAL 21 -3.181 13.355 0.978 194 HB VAL 21 HB VAL 21 -5.724 12.310 -0.273 195 HG11 VAL 21 HG11 VAL 21 -2.892 11.694 -1.070 196 HG12 VAL 21 HG12 VAL 21 -3.815 13.017 -1.785 197 HG13 VAL 21 HG13 VAL 21 -4.379 11.356 -1.957 198 HG21 VAL 21 HG21 VAL 21 -5.404 10.303 0.687 199 HG22 VAL 21 HG22 VAL 21 -4.490 11.220 1.885 200 HG23 VAL 21 HG23 VAL 21 -3.649 10.410 0.563 201 H ARG 22 H ARG 22 -6.321 14.874 0.692 202 HA ARG 22 HA ARG 22 -6.062 16.192 -1.734 203 HB2 ARG 22 HB2 ARG 22 -7.886 16.186 0.358 204 HB3 ARG 22 HB3 ARG 22 -7.323 17.850 0.305 205 HG2 ARG 22 HG2 ARG 22 -8.207 18.233 -1.770 206 HG3 ARG 22 HG3 ARG 22 -8.121 16.534 -2.241 207 HD2 ARG 22 HD2 ARG 22 -10.135 16.049 -1.348 208 HD3 ARG 22 HD3 ARG 22 -9.901 17.128 0.026 209 HE ARG 22 HE ARG 22 -10.958 18.797 -1.138 210 HH11 ARG 22 HH11 ARG 22 -10.153 16.207 -3.334 211 HH12 ARG 22 HH12 ARG 22 -11.067 16.869 -4.648 212 HH21 ARG 22 HH21 ARG 22 -12.160 19.669 -2.863 213 HH22 ARG 22 HH22 ARG 22 -12.206 18.835 -4.381 214 H VAL 23 H VAL 23 -4.553 16.850 1.329 215 HA VAL 23 HA VAL 23 -3.705 19.513 0.634 216 HB VAL 23 HB VAL 23 -2.677 17.753 2.864 217 HG11 VAL 23 HG11 VAL 23 -2.120 20.476 1.993 218 HG12 VAL 23 HG12 VAL 23 -1.230 19.439 3.107 219 HG13 VAL 23 HG13 VAL 23 -2.603 20.380 3.686 220 HG21 VAL 23 HG21 VAL 23 -5.183 19.290 2.566 221 HG22 VAL 23 HG22 VAL 23 -4.341 19.445 4.108 222 HG23 VAL 23 HG23 VAL 23 -4.838 17.854 3.530 223 H LEU 24 H LEU 24 -2.253 16.291 0.706 224 HA LEU 24 HA LEU 24 -0.034 17.332 -0.909 225 HB2 LEU 24 HB2 LEU 24 0.087 16.004 1.706 226 HB3 LEU 24 HB3 LEU 24 1.171 15.339 0.500 227 HG LEU 24 HG LEU 24 2.027 17.677 0.118 228 HD11 LEU 24 HD11 LEU 24 1.570 18.961 2.457 229 HD12 LEU 24 HD12 LEU 24 0.006 18.194 2.179 230 HD13 LEU 24 HD13 LEU 24 0.691 19.268 0.960 231 HD21 LEU 24 HD21 LEU 24 3.598 16.571 1.297 232 HD22 LEU 24 HD22 LEU 24 2.439 15.982 2.490 233 HD23 LEU 24 HD23 LEU 24 3.067 17.626 2.606 234 HA PRO 25 HA PRO 25 -2.194 13.586 -2.786 235 HB2 PRO 25 HB2 PRO 25 -1.821 15.292 -5.183 236 HB3 PRO 25 HB3 PRO 25 -3.237 14.369 -4.670 237 HG2 PRO 25 HG2 PRO 25 -3.182 17.033 -4.473 238 HG3 PRO 25 HG3 PRO 25 -3.967 16.033 -3.234 239 HD2 PRO 25 HD2 PRO 25 -1.308 17.401 -3.166 240 HD3 PRO 25 HD3 PRO 25 -2.509 17.204 -1.873 241 H SER 26 H SER 26 0.586 15.577 -3.483 242 HA SER 26 HA SER 26 1.851 13.655 -5.210 243 HB2 SER 26 HB2 SER 26 2.153 16.319 -4.956 244 HB3 SER 26 HB3 SER 26 3.472 15.781 -3.915 245 HG SER 26 HG SER 26 4.520 15.052 -5.604 246 H SER 27 H SER 27 2.074 14.630 -1.823 247 HA SER 27 HA SER 27 4.357 13.063 -1.198 248 HB2 SER 27 HB2 SER 27 3.269 14.984 0.164 249 HB3 SER 27 HB3 SER 27 2.212 13.725 0.805 250 HG SER 27 HG SER 27 3.776 13.227 2.095 251 H LEU 28 H LEU 28 0.922 12.412 -1.307 252 HA LEU 28 HA LEU 28 0.780 10.047 0.130 253 HB2 LEU 28 HB2 LEU 28 -1.317 10.627 -0.450 254 HB3 LEU 28 HB3 LEU 28 -0.802 11.376 -1.948 255 HG LEU 28 HG LEU 28 -0.687 9.136 -2.999 256 HD11 LEU 28 HD11 LEU 28 -2.281 7.885 -0.872 257 HD12 LEU 28 HD12 LEU 28 -0.582 8.152 -0.483 258 HD13 LEU 28 HD13 LEU 28 -1.021 7.204 -1.902 259 HD21 LEU 28 HD21 LEU 28 -3.392 9.584 -1.765 260 HD22 LEU 28 HD22 LEU 28 -3.011 8.919 -3.352 261 HD23 LEU 28 HD23 LEU 28 -2.730 10.628 -3.023 262 H GLU 29 H GLU 29 1.959 10.629 -3.119 263 HA GLU 29 HA GLU 29 2.007 8.018 -4.095 264 HB2 GLU 29 HB2 GLU 29 3.400 10.543 -4.718 265 HB3 GLU 29 HB3 GLU 29 4.232 9.084 -5.237 266 HG2 GLU 29 HG2 GLU 29 1.343 9.511 -5.879 267 HG3 GLU 29 HG3 GLU 29 2.611 10.240 -6.862 268 H ILE 30 H ILE 30 4.165 9.666 -1.887 269 HA ILE 30 HA ILE 30 6.288 7.792 -1.982 270 HB ILE 30 HB ILE 30 5.537 9.562 0.347 271 HG12 ILE 30 HG12 ILE 30 7.290 10.163 -2.048 272 HG13 ILE 30 HG13 ILE 30 5.720 10.884 -1.712 273 HG21 ILE 30 HG21 ILE 30 8.063 9.483 0.670 274 HG22 ILE 30 HG22 ILE 30 8.047 8.120 -0.449 275 HG23 ILE 30 HG23 ILE 30 7.155 8.024 1.068 276 HD11 ILE 30 HD11 ILE 30 6.842 11.643 0.502 277 HD12 ILE 30 HD12 ILE 30 7.171 12.513 -0.997 278 HD13 ILE 30 HD13 ILE 30 8.342 11.349 -0.377 279 H PHE 31 H PHE 31 3.583 8.207 0.294 280 HA PHE 31 HA PHE 31 4.206 5.925 1.852 281 HB2 PHE 31 HB2 PHE 31 1.531 7.302 1.539 282 HB3 PHE 31 HB3 PHE 31 2.010 6.237 2.857 283 HD1 PHE 31 HD1 PHE 31 4.293 7.022 4.035 284 HD2 PHE 31 HD2 PHE 31 1.571 9.548 1.957 285 HE1 PHE 31 HE1 PHE 31 5.139 8.961 5.293 286 HE2 PHE 31 HE2 PHE 31 2.412 11.491 3.210 287 HZ PHE 31 HZ PHE 31 4.196 11.199 4.882 288 H GLU 32 H GLU 32 2.332 6.430 -1.053 289 HA GLU 32 HA GLU 32 0.808 4.092 -1.077 290 HB2 GLU 32 HB2 GLU 32 0.546 5.989 -2.667 291 HB3 GLU 32 HB3 GLU 32 2.031 5.489 -3.466 292 HG2 GLU 32 HG2 GLU 32 1.001 3.355 -4.050 293 HG3 GLU 32 HG3 GLU 32 -0.486 3.852 -3.244 294 H GLU 33 H GLU 33 4.129 4.683 -2.096 295 HA GLU 33 HA GLU 33 4.504 1.997 -3.072 296 HB2 GLU 33 HB2 GLU 33 6.011 4.495 -3.048 297 HB3 GLU 33 HB3 GLU 33 7.026 3.099 -2.709 298 HG2 GLU 33 HG2 GLU 33 5.567 2.219 -4.833 299 HG3 GLU 33 HG3 GLU 33 5.737 3.935 -5.195 300 H LEU 34 H LEU 34 4.717 3.615 -0.060 301 HA LEU 34 HA LEU 34 6.592 1.813 1.165 302 HB2 LEU 34 HB2 LEU 34 5.846 4.323 1.725 303 HB3 LEU 34 HB3 LEU 34 4.762 3.472 2.808 304 HG LEU 34 HG LEU 34 7.776 3.375 2.815 305 HD11 LEU 34 HD11 LEU 34 6.234 5.277 3.863 306 HD12 LEU 34 HD12 LEU 34 7.715 4.715 4.641 307 HD13 LEU 34 HD13 LEU 34 6.149 4.103 5.177 308 HD21 LEU 34 HD21 LEU 34 6.766 1.157 3.282 309 HD22 LEU 34 HD22 LEU 34 5.867 1.887 4.613 310 HD23 LEU 34 HD23 LEU 34 7.628 1.840 4.660 311 H TYR 35 H TYR 35 3.085 2.377 1.461 312 HA TYR 35 HA TYR 35 2.663 0.230 3.262 313 HB2 TYR 35 HB2 TYR 35 0.461 0.868 3.273 314 HB3 TYR 35 HB3 TYR 35 1.184 2.342 2.645 315 HD1 TYR 35 HD1 TYR 35 1.305 2.517 0.036 316 HD2 TYR 35 HD2 TYR 35 -1.307 -0.102 2.135 317 HE1 TYR 35 HE1 TYR 35 -0.144 2.383 -1.946 318 HE2 TYR 35 HE2 TYR 35 -2.764 -0.244 0.159 319 HH TYR 35 HH TYR 35 -3.273 0.940 -1.844 320 H LYS 36 H LYS 36 2.444 0.507 -0.250 321 HA LYS 36 HA LYS 36 1.288 -2.054 -0.662 322 HB2 LYS 36 HB2 LYS 36 1.672 -1.701 -2.979 323 HB3 LYS 36 HB3 LYS 36 1.273 -0.130 -2.298 324 HG2 LYS 36 HG2 LYS 36 3.637 0.465 -2.265 325 HG3 LYS 36 HG3 LYS 36 4.048 -1.116 -2.930 326 HD2 LYS 36 HD2 LYS 36 2.131 -0.146 -4.675 327 HD3 LYS 36 HD3 LYS 36 3.090 1.280 -4.274 328 HE2 LYS 36 HE2 LYS 36 4.724 0.593 -5.611 329 HE3 LYS 36 HE3 LYS 36 4.846 -0.928 -4.727 330 HZ1 LYS 36 HZ1 LYS 36 3.039 -0.349 -7.010 331 HZ2 LYS 36 HZ2 LYS 36 3.016 -1.784 -6.112 332 HZ3 LYS 36 HZ3 LYS 36 4.384 -1.375 -7.021 333 H TYR 37 H TYR 37 4.616 -0.856 -0.662 334 HA TYR 37 HA TYR 37 5.939 -3.098 -1.602 335 HB2 TYR 37 HB2 TYR 37 7.121 -1.026 -1.230 336 HB3 TYR 37 HB3 TYR 37 6.798 -1.098 0.498 337 HD1 TYR 37 HD1 TYR 37 8.687 -2.691 -2.257 338 HD2 TYR 37 HD2 TYR 37 8.213 -2.321 1.955 339 HE1 TYR 37 HE1 TYR 37 10.809 -3.889 -1.919 340 HE2 TYR 37 HE2 TYR 37 10.332 -3.518 2.305 341 HH TYR 37 HH TYR 37 11.763 -5.130 1.070 342 H ALA 38 H ALA 38 5.093 -2.318 1.767 343 HA ALA 38 HA ALA 38 6.105 -4.759 2.821 344 HB1 ALA 38 HB1 ALA 38 6.009 -3.124 4.429 345 HB2 ALA 38 HB2 ALA 38 4.542 -4.033 4.794 346 HB3 ALA 38 HB3 ALA 38 4.443 -2.526 3.883 347 H LEU 39 H LEU 39 3.035 -3.759 1.503 348 HA LEU 39 HA LEU 39 1.376 -5.751 2.550 349 HB2 LEU 39 HB2 LEU 39 1.288 -3.830 0.358 350 HB3 LEU 39 HB3 LEU 39 0.421 -5.310 -0.012 351 HG LEU 39 HG LEU 39 -0.119 -4.023 2.614 352 HD11 LEU 39 HD11 LEU 39 -0.237 -2.066 1.330 353 HD12 LEU 39 HD12 LEU 39 -1.899 -2.648 1.416 354 HD13 LEU 39 HD13 LEU 39 -0.949 -2.907 -0.046 355 HD21 LEU 39 HD21 LEU 39 -1.422 -5.856 0.714 356 HD22 LEU 39 HD22 LEU 39 -2.490 -4.715 1.532 357 HD23 LEU 39 HD23 LEU 39 -1.481 -5.812 2.475 358 H ASN 40 H ASN 40 3.552 -5.773 -0.218 359 HA ASN 40 HA ASN 40 2.722 -8.389 -1.090 360 HB2 ASN 40 HB2 ASN 40 4.977 -6.560 -1.913 361 HB3 ASN 40 HB3 ASN 40 4.749 -8.162 -2.609 362 HD21 ASN 40 HD21 ASN 40 4.653 -6.645 -4.532 363 HD22 ASN 40 HD22 ASN 40 3.082 -6.102 -4.999 364 H GLU 41 H GLU 41 5.114 -7.073 1.050 365 HA GLU 41 HA GLU 41 7.005 -9.107 1.095 366 HB2 GLU 41 HB2 GLU 41 6.031 -7.292 3.300 367 HB3 GLU 41 HB3 GLU 41 7.413 -8.365 3.473 368 HG2 GLU 41 HG2 GLU 41 7.283 -6.373 1.246 369 HG3 GLU 41 HG3 GLU 41 7.817 -5.905 2.859 370 H ASN 42 H ASN 42 3.933 -8.841 2.799 371 HA ASN 42 HA ASN 42 4.312 -11.309 4.233 372 HB2 ASN 42 HB2 ASN 42 2.049 -9.349 3.975 373 HB3 ASN 42 HB3 ASN 42 1.797 -10.912 4.745 374 HD21 ASN 42 HD21 ASN 42 4.217 -8.311 4.797 375 HD22 ASN 42 HD22 ASN 42 4.359 -8.249 6.518 376 H SER 43 H SER 43 2.753 -10.270 1.285 377 HA SER 43 HA SER 43 1.247 -12.669 0.891 378 HB2 SER 43 HB2 SER 43 1.099 -10.195 -0.193 379 HB3 SER 43 HB3 SER 43 1.971 -11.038 -1.473 380 HG SER 43 HG SER 43 -0.367 -11.112 -1.632 381 H ASN 44 H ASN 44 3.908 -11.351 -1.085 382 HA ASN 44 HA ASN 44 5.402 -13.782 -1.001 383 HB2 ASN 44 HB2 ASN 44 3.403 -13.444 -3.093 384 HB3 ASN 44 HB3 ASN 44 5.020 -13.661 -3.756 385 HD21 ASN 44 HD21 ASN 44 6.232 -15.534 -3.039 386 HD22 ASN 44 HD22 ASN 44 5.382 -16.980 -2.628 387 H ASP 45 H ASP 45 7.435 -13.116 -1.053 388 HA ASP 45 HA ASP 45 8.081 -10.628 -2.468 389 HB2 ASP 45 HB2 ASP 45 8.707 -11.421 0.079 390 HB3 ASP 45 HB3 ASP 45 10.174 -11.848 -0.798 391 H ARG 46 H ARG 46 7.695 -13.071 -3.922 392 HA ARG 46 HA ARG 46 10.265 -13.167 -5.272 393 HB2 ARG 46 HB2 ARG 46 9.076 -15.451 -3.787 394 HB3 ARG 46 HB3 ARG 46 9.793 -15.802 -5.353 395 HG2 ARG 46 HG2 ARG 46 11.814 -14.443 -4.400 396 HG3 ARG 46 HG3 ARG 46 11.085 -14.853 -2.845 397 HD2 ARG 46 HD2 ARG 46 11.859 -16.822 -4.994 398 HD3 ARG 46 HD3 ARG 46 12.786 -16.486 -3.533 399 HE ARG 46 HE ARG 46 10.423 -18.107 -3.756 400 HH11 ARG 46 HH11 ARG 46 12.388 -16.193 -1.598 401 HH12 ARG 46 HH12 ARG 46 11.841 -17.013 -0.173 402 HH21 ARG 46 HH21 ARG 46 9.705 -19.186 -1.883 403 HH22 ARG 46 HH22 ARG 46 10.320 -18.712 -0.334 404 H SER 47 H SER 47 7.112 -14.841 -5.225 405 HA SER 47 HA SER 47 5.522 -15.132 -6.825 406 HB2 SER 47 HB2 SER 47 6.428 -12.554 -7.255 407 HB3 SER 47 HB3 SER 47 6.587 -13.300 -8.845 408 HG SER 47 HG SER 47 4.361 -14.005 -8.544 409 H GLU 48 H GLU 48 8.320 -14.271 -8.858 410 HA GLU 48 HA GLU 48 9.042 -16.895 -9.535 411 HB2 GLU 48 HB2 GLU 48 8.151 -16.994 -11.848 412 HB3 GLU 48 HB3 GLU 48 6.890 -17.053 -10.624 413 HG2 GLU 48 HG2 GLU 48 7.437 -14.341 -11.457 414 HG3 GLU 48 HG3 GLU 48 7.010 -15.372 -12.823 415 H HIS 49 H HIS 49 11.030 -16.818 -10.372 416 HA HIS 49 HA HIS 49 11.828 -14.671 -12.144 417 HB2 HIS 49 HB2 HIS 49 12.186 -13.789 -9.819 418 HB3 HIS 49 HB3 HIS 49 13.338 -15.095 -9.560 419 HD1 HIS 49 HD1 HIS 49 14.921 -12.887 -9.148 420 HD2 HIS 49 HD2 HIS 49 13.793 -13.733 -13.058 421 HE1 HIS 49 HE1 HIS 49 16.540 -11.626 -10.603 422 HE2 HIS 49 HE2 HIS 49 15.785 -12.084 -12.963 423 H HIS 50 H HIS 50 12.926 -17.434 -10.202 424 HA HIS 50 HA HIS 50 15.165 -18.061 -11.795 425 HB2 HIS 50 HB2 HIS 50 14.365 -18.913 -9.405 426 HB3 HIS 50 HB3 HIS 50 13.708 -20.234 -10.364 427 HD1 HIS 50 HD1 HIS 50 15.471 -21.659 -11.743 428 HD2 HIS 50 HD2 HIS 50 17.081 -19.003 -8.983 429 HE1 HIS 50 HE1 HIS 50 17.860 -22.379 -11.433 430 HE2 HIS 50 HE2 HIS 50 18.789 -20.810 -9.693 431 H LYS 51 H LYS 51 14.353 -17.878 -13.954 432 HA LYS 51 HA LYS 51 12.638 -20.109 -14.810 433 HB2 LYS 51 HB2 LYS 51 12.039 -17.650 -15.316 434 HB3 LYS 51 HB3 LYS 51 13.335 -17.720 -16.501 435 HG2 LYS 51 HG2 LYS 51 11.710 -18.366 -17.895 436 HG3 LYS 51 HG3 LYS 51 11.938 -19.948 -17.146 437 HD2 LYS 51 HD2 LYS 51 10.115 -19.578 -15.646 438 HD3 LYS 51 HD3 LYS 51 9.982 -17.888 -16.138 439 HE2 LYS 51 HE2 LYS 51 9.333 -18.594 -18.387 440 HE3 LYS 51 HE3 LYS 51 9.478 -20.284 -17.903 441 HZ1 LYS 51 HZ1 LYS 51 7.792 -19.501 -16.070 442 HZ2 LYS 51 HZ2 LYS 51 7.260 -19.966 -17.608 443 HZ3 LYS 51 HZ3 LYS 51 7.412 -18.326 -17.226 444 H LYS 52 H LYS 52 13.295 -21.513 -16.396 445 HA LYS 52 HA LYS 52 16.129 -21.322 -17.176 446 HB2 LYS 52 HB2 LYS 52 16.064 -23.785 -17.405 447 HB3 LYS 52 HB3 LYS 52 15.713 -23.247 -15.768 448 HG2 LYS 52 HG2 LYS 52 13.230 -23.402 -17.023 449 HG3 LYS 52 HG3 LYS 52 14.115 -24.830 -17.566 450 HD2 LYS 52 HD2 LYS 52 13.120 -25.576 -15.611 451 HD3 LYS 52 HD3 LYS 52 14.723 -25.092 -15.054 452 HE2 LYS 52 HE2 LYS 52 13.290 -22.768 -14.827 453 HE3 LYS 52 HE3 LYS 52 12.094 -23.993 -14.406 454 HZ1 LYS 52 HZ1 LYS 52 13.258 -24.632 -12.567 455 HZ2 LYS 52 HZ2 LYS 52 13.676 -22.993 -12.605 456 HZ3 LYS 52 HZ3 LYS 52 14.756 -24.156 -13.189 457 HA PRO 53 HA PRO 53 14.852 -21.064 -21.398 458 HB2 PRO 53 HB2 PRO 53 17.058 -22.012 -22.642 459 HB3 PRO 53 HB3 PRO 53 17.023 -20.435 -21.845 460 HG2 PRO 53 HG2 PRO 53 18.111 -23.038 -20.845 461 HG3 PRO 53 HG3 PRO 53 18.816 -21.415 -20.735 462 HD2 PRO 53 HD2 PRO 53 17.503 -22.595 -18.671 463 HD3 PRO 53 HD3 PRO 53 17.521 -20.839 -18.922 464 H ARG 54 H ARG 54 13.403 -23.021 -20.529 465 HA ARG 54 HA ARG 54 13.487 -24.989 -22.616 466 HB2 ARG 54 HB2 ARG 54 15.069 -25.822 -20.774 467 HB3 ARG 54 HB3 ARG 54 13.622 -26.059 -19.805 468 HG2 ARG 54 HG2 ARG 54 12.849 -27.372 -21.980 469 HG3 ARG 54 HG3 ARG 54 14.595 -27.557 -22.165 470 HD2 ARG 54 HD2 ARG 54 14.787 -28.884 -20.332 471 HD3 ARG 54 HD3 ARG 54 13.469 -28.080 -19.479 472 HE ARG 54 HE ARG 54 13.281 -30.381 -21.191 473 HH11 ARG 54 HH11 ARG 54 11.545 -27.675 -19.831 474 HH12 ARG 54 HH12 ARG 54 9.995 -28.429 -19.994 475 HH21 ARG 54 HH21 ARG 54 11.242 -31.374 -21.404 476 HH22 ARG 54 HH22 ARG 54 9.823 -30.528 -20.885 477 H ILE 55 H ILE 55 11.693 -22.925 -21.552 478 HA ILE 55 HA ILE 55 9.347 -24.635 -21.079 479 HB ILE 55 HB ILE 55 9.745 -21.918 -19.827 480 HG12 ILE 55 HG12 ILE 55 9.624 -24.384 -18.171 481 HG13 ILE 55 HG13 ILE 55 11.123 -24.085 -19.043 482 HG21 ILE 55 HG21 ILE 55 7.748 -23.804 -18.772 483 HG22 ILE 55 HG22 ILE 55 7.412 -23.162 -20.379 484 HG23 ILE 55 HG23 ILE 55 7.647 -22.062 -19.022 485 HD11 ILE 55 HD11 ILE 55 9.817 -22.119 -17.180 486 HD12 ILE 55 HD12 ILE 55 11.398 -21.972 -17.946 487 HD13 ILE 55 HD13 ILE 55 11.121 -23.220 -16.732 488 H ASP 56 H ASP 56 10.490 -21.469 -22.165 489 HA ASP 56 HA ASP 56 8.037 -20.835 -23.502 490 HB2 ASP 56 HB2 ASP 56 9.480 -18.974 -24.523 491 HB3 ASP 56 HB3 ASP 56 9.240 -18.950 -22.778 492 H ASP 57 H ASP 57 11.325 -21.549 -24.699 493 HA ASP 57 HA ASP 57 12.070 -22.254 -26.736 494 HB2 ASP 57 HB2 ASP 57 10.640 -24.223 -25.660 495 HB3 ASP 57 HB3 ASP 57 9.632 -23.937 -27.076 496 H SER 58 H SER 58 10.244 -19.924 -26.726 497 HA SER 58 HA SER 58 10.047 -19.488 -29.470 498 HB2 SER 58 HB2 SER 58 7.464 -19.437 -29.574 499 HB3 SER 58 HB3 SER 58 8.265 -21.003 -29.705 500 HG SER 58 HG SER 58 6.489 -20.175 -27.882 501 H SER 59 H SER 59 7.577 -18.727 -27.034 502 HA SER 59 HA SER 59 7.913 -15.906 -27.522 503 HB2 SER 59 HB2 SER 59 6.235 -16.887 -25.263 504 HB3 SER 59 HB3 SER 59 5.903 -15.621 -26.445 505 HG SER 59 HG SER 59 5.630 -17.334 -28.000 506 H ASP 60 H ASP 60 9.509 -14.805 -26.608 507 HA ASP 60 HA ASP 60 9.831 -14.636 -23.809 508 HB2 ASP 60 HB2 ASP 60 11.034 -16.882 -24.689 509 HB3 ASP 60 HB3 ASP 60 12.344 -15.731 -24.941 510 H LEU 61 H LEU 61 11.436 -13.073 -23.182 511 HA LEU 61 HA LEU 61 12.571 -11.117 -23.407 512 HB2 LEU 61 HB2 LEU 61 14.023 -12.683 -24.811 513 HB3 LEU 61 HB3 LEU 61 13.250 -11.965 -26.212 514 HG LEU 61 HG LEU 61 14.054 -9.714 -25.049 515 HD11 LEU 61 HD11 LEU 61 15.177 -10.255 -23.163 516 HD12 LEU 61 HD12 LEU 61 16.512 -10.456 -24.299 517 HD13 LEU 61 HD13 LEU 61 15.604 -11.864 -23.745 518 HD21 LEU 61 HD21 LEU 61 15.830 -11.547 -26.657 519 HD22 LEU 61 HD22 LEU 61 16.056 -9.809 -26.461 520 HD23 LEU 61 HD23 LEU 61 14.633 -10.424 -27.301 521 H LEU 62 H LEU 62 12.323 -9.006 -24.203 522 HA LEU 62 HA LEU 62 10.140 -8.668 -26.153 523 HB2 LEU 62 HB2 LEU 62 9.927 -8.077 -23.518 524 HB3 LEU 62 HB3 LEU 62 10.529 -6.549 -24.134 525 HG LEU 62 HG LEU 62 8.406 -7.432 -25.832 526 HD11 LEU 62 HD11 LEU 62 7.984 -7.869 -22.942 527 HD12 LEU 62 HD12 LEU 62 7.219 -8.636 -24.334 528 HD13 LEU 62 HD13 LEU 62 6.699 -7.033 -23.815 529 HD21 LEU 62 HD21 LEU 62 8.600 -5.183 -25.854 530 HD22 LEU 62 HD22 LEU 62 9.135 -5.104 -24.175 531 HD23 LEU 62 HD23 LEU 62 7.421 -5.288 -24.547 532 H LYS 63 H LYS 63 10.118 -6.145 -26.755 533 HA LYS 63 HA LYS 63 12.777 -5.647 -27.866 534 HB2 LYS 63 HB2 LYS 63 9.998 -4.901 -28.628 535 HB3 LYS 63 HB3 LYS 63 11.288 -3.794 -29.080 536 HG2 LYS 63 HG2 LYS 63 11.366 -6.724 -29.739 537 HG3 LYS 63 HG3 LYS 63 10.621 -5.522 -30.797 538 HD2 LYS 63 HD2 LYS 63 12.673 -5.360 -31.698 539 HD3 LYS 63 HD3 LYS 63 13.034 -4.369 -30.282 540 HE2 LYS 63 HE2 LYS 63 13.341 -7.073 -29.514 541 HE3 LYS 63 HE3 LYS 63 14.161 -6.876 -31.062 542 HZ1 LYS 63 HZ1 LYS 63 15.802 -6.268 -29.621 543 HZ2 LYS 63 HZ2 LYS 63 14.739 -5.612 -28.480 544 HZ3 LYS 63 HZ3 LYS 63 15.097 -4.755 -29.893 545 H THR 64 H THR 64 10.307 -4.146 -25.857 546 HA THR 64 HA THR 64 11.843 -1.711 -25.543 547 HB THR 64 HB THR 64 9.371 -2.548 -24.024 548 HG1 THR 64 HG1 THR 64 9.506 -1.078 -26.443 549 HG21 THR 64 HG21 THR 64 9.940 0.255 -24.785 550 HG22 THR 64 HG22 THR 64 10.859 -0.442 -23.451 551 HG23 THR 64 HG23 THR 64 9.098 -0.394 -23.378 552 H ASP 65 H ASP 65 12.775 -0.986 -23.612 553 HA ASP 65 HA ASP 65 13.070 -2.971 -21.471 554 HB2 ASP 65 HB2 ASP 65 15.092 -2.346 -23.320 555 HB3 ASP 65 HB3 ASP 65 15.531 -1.497 -21.841 556 H GLU 66 H GLU 66 13.463 -2.120 -19.409 557 HA GLU 66 HA GLU 66 13.363 0.801 -19.155 558 HB2 GLU 66 HB2 GLU 66 11.069 -0.073 -18.901 559 HB3 GLU 66 HB3 GLU 66 11.622 -1.122 -17.602 560 HG2 GLU 66 HG2 GLU 66 12.209 0.825 -16.263 561 HG3 GLU 66 HG3 GLU 66 11.690 1.887 -17.570 562 H ILE 67 H ILE 67 15.490 0.904 -18.494 563 HA ILE 67 HA ILE 67 15.979 -0.048 -15.771 564 HB ILE 67 HB ILE 67 18.302 -0.725 -16.406 565 HG12 ILE 67 HG12 ILE 67 18.139 -1.467 -19.027 566 HG13 ILE 67 HG13 ILE 67 17.267 0.062 -19.053 567 HG21 ILE 67 HG21 ILE 67 17.695 -2.909 -16.848 568 HG22 ILE 67 HG22 ILE 67 16.373 -2.436 -17.916 569 HG23 ILE 67 HG23 ILE 67 16.210 -2.243 -16.171 570 HD11 ILE 67 HD11 ILE 67 19.394 0.767 -19.475 571 HD12 ILE 67 HD12 ILE 67 20.128 -0.481 -18.471 572 HD13 ILE 67 HD13 ILE 67 19.351 0.912 -17.718 573 H1 GLY 68 H1 GLY 68 22.423 12.431 17.074 574 H2 GLY 68 H2 GLY 68 20.928 11.957 16.444 575 H3 GLY 68 H3 GLY 68 21.010 12.684 17.969 576 HA2 GLY 68 HA2 GLY 68 21.238 14.770 17.155 577 HA3 GLY 68 HA3 GLY 68 22.101 14.202 15.733 578 H HIS 69 H HIS 69 19.072 12.793 16.745 579 HA HIS 69 HA HIS 69 17.811 13.950 14.348 580 HB2 HIS 69 HB2 HIS 69 18.127 11.395 14.607 581 HB3 HIS 69 HB3 HIS 69 16.815 11.498 15.777 582 HD1 HIS 69 HD1 HIS 69 15.115 10.225 14.377 583 HD2 HIS 69 HD2 HIS 69 16.713 13.525 12.421 584 HE1 HIS 69 HE1 HIS 69 13.702 10.537 12.320 585 HE2 HIS 69 HE2 HIS 69 14.631 12.593 11.200 586 H MET 70 H MET 70 17.496 13.436 17.785 587 HA MET 70 HA MET 70 16.163 14.406 19.353 588 HB2 MET 70 HB2 MET 70 15.104 16.144 17.118 589 HB3 MET 70 HB3 MET 70 14.986 16.457 18.844 590 HG2 MET 70 HG2 MET 70 17.708 16.098 17.777 591 HG3 MET 70 HG3 MET 70 16.846 17.543 17.250 592 HE1 MET 70 HE1 MET 70 18.387 19.656 19.100 593 HE2 MET 70 HE2 MET 70 19.015 18.341 18.107 594 HE3 MET 70 HE3 MET 70 19.505 18.483 19.796 595 H MET 71 H MET 71 14.162 14.482 16.396 596 HA MET 71 HA MET 71 11.766 13.773 17.608 597 HB2 MET 71 HB2 MET 71 12.589 13.035 14.796 598 HB3 MET 71 HB3 MET 71 10.950 13.249 15.399 599 HG2 MET 71 HG2 MET 71 11.560 15.646 15.869 600 HG3 MET 71 HG3 MET 71 13.049 15.354 14.971 601 HE1 MET 71 HE1 MET 71 9.595 17.183 13.699 602 HE2 MET 71 HE2 MET 71 11.132 17.704 13.010 603 HE3 MET 71 HE3 MET 71 10.993 17.430 14.747 604 H SER 72 H SER 72 14.435 11.778 16.576 605 HA SER 72 HA SER 72 14.905 9.570 16.853 606 HB2 SER 72 HB2 SER 72 12.702 9.830 18.907 607 HB3 SER 72 HB3 SER 72 13.670 8.370 18.697 608 HG SER 72 HG SER 72 14.831 10.910 19.153 609 H LYS 73 H LYS 73 14.505 8.191 15.268 610 HA LYS 73 HA LYS 73 11.796 7.874 14.254 611 HB2 LYS 73 HB2 LYS 73 12.872 6.606 12.429 612 HB3 LYS 73 HB3 LYS 73 13.563 8.210 12.624 613 HG2 LYS 73 HG2 LYS 73 15.475 7.278 13.784 614 HG3 LYS 73 HG3 LYS 73 14.769 5.663 13.686 615 HD2 LYS 73 HD2 LYS 73 15.037 5.577 11.348 616 HD3 LYS 73 HD3 LYS 73 15.326 7.314 11.235 617 HE2 LYS 73 HE2 LYS 73 17.160 5.435 12.705 618 HE3 LYS 73 HE3 LYS 73 17.358 5.828 10.998 619 HZ1 LYS 73 HZ1 LYS 73 17.697 8.107 11.534 620 HZ2 LYS 73 HZ2 LYS 73 18.718 7.200 12.534 621 HZ3 LYS 73 HZ3 LYS 73 17.291 7.861 13.158 622 H LEU 74 H LEU 74 11.368 5.487 13.450 623 HA LEU 74 HA LEU 74 12.248 3.472 15.332 624 HB2 LEU 74 HB2 LEU 74 9.943 4.919 15.905 625 HB3 LEU 74 HB3 LEU 74 9.347 3.429 15.198 626 HG LEU 74 HG LEU 74 11.346 3.404 17.441 627 HD11 LEU 74 HD11 LEU 74 9.652 3.390 19.054 628 HD12 LEU 74 HD12 LEU 74 8.383 3.175 17.847 629 HD13 LEU 74 HD13 LEU 74 9.223 4.720 17.978 630 HD21 LEU 74 HD21 LEU 74 10.672 1.394 15.896 631 HD22 LEU 74 HD22 LEU 74 9.248 1.352 16.937 632 HD23 LEU 74 HD23 LEU 74 10.856 1.172 17.638 633 H PHE 75 H PHE 75 9.760 4.160 12.898 634 HA PHE 75 HA PHE 75 9.989 1.467 11.836 635 HB2 PHE 75 HB2 PHE 75 8.228 2.381 10.188 636 HB3 PHE 75 HB3 PHE 75 7.757 2.178 11.872 637 HD1 PHE 75 HD1 PHE 75 8.634 4.624 9.274 638 HD2 PHE 75 HD2 PHE 75 7.202 4.046 13.238 639 HE1 PHE 75 HE1 PHE 75 7.943 6.984 9.362 640 HE2 PHE 75 HE2 PHE 75 6.506 6.404 13.335 641 HZ PHE 75 HZ PHE 75 6.876 7.876 11.395 642 H LEU 76 H LEU 76 11.053 4.688 11.091 643 HA LEU 76 HA LEU 76 11.721 4.175 8.358 644 HB2 LEU 76 HB2 LEU 76 12.669 6.342 10.235 645 HB3 LEU 76 HB3 LEU 76 12.952 6.312 8.505 646 HG LEU 76 HG LEU 76 10.232 6.462 9.805 647 HD11 LEU 76 HD11 LEU 76 10.928 8.577 10.196 648 HD12 LEU 76 HD12 LEU 76 10.489 8.784 8.501 649 HD13 LEU 76 HD13 LEU 76 12.173 8.516 8.950 650 HD21 LEU 76 HD21 LEU 76 9.797 7.259 7.317 651 HD22 LEU 76 HD22 LEU 76 9.734 5.557 7.774 652 HD23 LEU 76 HD23 LEU 76 11.179 6.208 7.002 653 H ASP 77 H ASP 77 13.309 3.741 11.417 654 HA ASP 77 HA ASP 77 15.974 3.600 10.494 655 HB2 ASP 77 HB2 ASP 77 15.239 3.857 12.891 656 HB3 ASP 77 HB3 ASP 77 14.821 2.147 12.878 657 H GLU 78 H GLU 78 13.389 1.230 10.711 658 HA GLU 78 HA GLU 78 15.122 -0.972 10.004 659 HB2 GLU 78 HB2 GLU 78 12.152 -0.715 10.429 660 HB3 GLU 78 HB3 GLU 78 12.878 -2.199 9.829 661 HG2 GLU 78 HG2 GLU 78 12.854 -2.683 12.039 662 HG3 GLU 78 HG3 GLU 78 14.417 -1.872 11.956 663 H LEU 79 H LEU 79 12.204 0.398 8.465 664 HA LEU 79 HA LEU 79 12.399 -0.845 6.022 665 HB2 LEU 79 HB2 LEU 79 10.923 0.778 5.180 666 HB3 LEU 79 HB3 LEU 79 10.557 0.668 6.890 667 HG LEU 79 HG LEU 79 12.200 2.704 7.082 668 HD11 LEU 79 HD11 LEU 79 13.064 3.138 5.033 669 HD12 LEU 79 HD12 LEU 79 11.596 4.102 4.897 670 HD13 LEU 79 HD13 LEU 79 11.662 2.493 4.179 671 HD21 LEU 79 HD21 LEU 79 10.143 4.177 6.376 672 HD22 LEU 79 HD22 LEU 79 10.063 3.128 7.792 673 HD23 LEU 79 HD23 LEU 79 9.336 2.613 6.270 674 HA PRO 80 HA PRO 80 15.688 0.591 3.464 675 HB2 PRO 80 HB2 PRO 80 13.712 2.236 1.929 676 HB3 PRO 80 HB3 PRO 80 14.978 1.154 1.331 677 HG2 PRO 80 HG2 PRO 80 12.442 0.360 1.367 678 HG3 PRO 80 HG3 PRO 80 13.746 -0.760 1.799 679 HD2 PRO 80 HD2 PRO 80 11.765 0.602 3.546 680 HD3 PRO 80 HD3 PRO 80 12.553 -0.974 3.747 681 H GLU 81 H GLU 81 16.693 1.855 5.060 682 HA GLU 81 HA GLU 81 16.013 4.382 5.926 683 HB2 GLU 81 HB2 GLU 81 17.803 3.042 6.928 684 HB3 GLU 81 HB3 GLU 81 18.791 3.270 5.491 685 HG2 GLU 81 HG2 GLU 81 19.276 5.449 5.996 686 HG3 GLU 81 HG3 GLU 81 17.811 5.668 6.952 687 H SER 82 H SER 82 17.458 3.425 2.905 688 HA SER 82 HA SER 82 18.536 5.878 2.089 689 HB2 SER 82 HB2 SER 82 17.657 3.384 0.737 690 HB3 SER 82 HB3 SER 82 17.790 4.822 -0.276 691 HG SER 82 HG SER 82 19.779 3.881 -0.284 692 H LEU 83 H LEU 83 15.267 4.587 1.900 693 HA LEU 83 HA LEU 83 14.264 6.819 0.378 694 HB2 LEU 83 HB2 LEU 83 13.103 4.361 1.600 695 HB3 LEU 83 HB3 LEU 83 12.021 5.689 1.226 696 HG LEU 83 HG LEU 83 13.834 4.904 -0.964 697 HD11 LEU 83 HD11 LEU 83 13.389 2.700 -0.158 698 HD12 LEU 83 HD12 LEU 83 12.370 2.979 -1.571 699 HD13 LEU 83 HD13 LEU 83 11.675 3.064 0.049 700 HD21 LEU 83 HD21 LEU 83 11.101 5.940 -0.557 701 HD22 LEU 83 HD22 LEU 83 11.348 4.919 -1.973 702 HD23 LEU 83 HD23 LEU 83 12.316 6.378 -1.757 703 H SER 84 H SER 84 14.455 5.879 3.741 704 HA SER 84 HA SER 84 12.577 7.514 4.920 705 HB2 SER 84 HB2 SER 84 15.346 6.814 5.922 706 HB3 SER 84 HB3 SER 84 14.072 7.521 6.916 707 HG SER 84 HG SER 84 14.180 5.220 7.070 708 H ARG 85 H ARG 85 15.630 8.386 3.488 709 HA ARG 85 HA ARG 85 15.924 10.940 4.652 710 HB2 ARG 85 HB2 ARG 85 17.007 9.593 2.213 711 HB3 ARG 85 HB3 ARG 85 17.232 11.326 2.399 712 HG2 ARG 85 HG2 ARG 85 17.945 10.166 4.858 713 HG3 ARG 85 HG3 ARG 85 18.680 9.175 3.598 714 HD2 ARG 85 HD2 ARG 85 20.243 10.878 4.155 715 HD3 ARG 85 HD3 ARG 85 19.566 11.287 2.581 716 HE ARG 85 HE ARG 85 19.024 12.648 5.118 717 HH11 ARG 85 HH11 ARG 85 18.618 12.491 1.648 718 HH12 ARG 85 HH12 ARG 85 18.011 14.107 1.527 719 HH21 ARG 85 HH21 ARG 85 18.229 14.769 4.950 720 HH22 ARG 85 HH22 ARG 85 17.791 15.398 3.395 721 H LYS 86 H LYS 86 14.375 9.859 1.652 722 HA LYS 86 HA LYS 86 13.561 12.529 0.936 723 HB2 LYS 86 HB2 LYS 86 12.457 11.485 -0.955 724 HB3 LYS 86 HB3 LYS 86 14.074 10.820 -0.776 725 HG2 LYS 86 HG2 LYS 86 13.273 8.778 0.025 726 HG3 LYS 86 HG3 LYS 86 11.679 9.442 0.384 727 HD2 LYS 86 HD2 LYS 86 11.425 8.143 -1.577 728 HD3 LYS 86 HD3 LYS 86 11.422 9.828 -2.101 729 HE2 LYS 86 HE2 LYS 86 13.939 9.507 -2.482 730 HE3 LYS 86 HE3 LYS 86 13.600 7.781 -2.366 731 HZ1 LYS 86 HZ1 LYS 86 11.732 8.586 -4.110 732 HZ2 LYS 86 HZ2 LYS 86 13.243 7.966 -4.554 733 HZ3 LYS 86 HZ3 LYS 86 12.997 9.639 -4.497 734 H ILE 87 H ILE 87 12.141 9.753 2.534 735 HA ILE 87 HA ILE 87 9.451 10.700 2.450 736 HB ILE 87 HB ILE 87 10.653 8.746 4.415 737 HG12 ILE 87 HG12 ILE 87 9.169 7.958 1.929 738 HG13 ILE 87 HG13 ILE 87 10.893 8.304 1.849 739 HG21 ILE 87 HG21 ILE 87 7.866 8.463 3.527 740 HG22 ILE 87 HG22 ILE 87 8.201 9.892 4.504 741 HG23 ILE 87 HG23 ILE 87 8.572 8.286 5.133 742 HD11 ILE 87 HD11 ILE 87 9.718 6.310 3.759 743 HD12 ILE 87 HD12 ILE 87 11.409 6.526 3.309 744 HD13 ILE 87 HD13 ILE 87 10.257 5.891 2.133 745 H GLY 88 H GLY 88 11.945 10.662 4.994 746 HA2 GLY 88 HA2 GLY 88 10.441 11.981 6.963 747 HA3 GLY 88 HA3 GLY 88 12.197 11.941 6.883 748 H THR 89 H THR 89 12.112 13.206 4.174 749 HA THR 89 HA THR 89 12.320 15.905 5.044 750 HB THR 89 HB THR 89 12.279 16.074 2.315 751 HG1 THR 89 HG1 THR 89 12.119 14.037 1.723 752 HG21 THR 89 HG21 THR 89 14.827 15.329 2.630 753 HG22 THR 89 HG22 THR 89 14.398 15.646 4.310 754 HG23 THR 89 HG23 THR 89 14.210 16.913 3.099 755 H VAL 90 H VAL 90 9.935 14.125 3.127 756 HA VAL 90 HA VAL 90 8.293 16.449 2.685 757 HB VAL 90 HB VAL 90 7.438 13.578 2.337 758 HG11 VAL 90 HG11 VAL 90 5.612 15.077 2.138 759 HG12 VAL 90 HG12 VAL 90 6.077 14.631 0.496 760 HG13 VAL 90 HG13 VAL 90 6.551 16.198 1.153 761 HG21 VAL 90 HG21 VAL 90 9.133 13.373 0.886 762 HG22 VAL 90 HG22 VAL 90 9.447 15.107 0.863 763 HG23 VAL 90 HG23 VAL 90 8.180 14.428 -0.158 764 H VAL 91 H VAL 91 8.365 13.757 4.941 765 HA VAL 91 HA VAL 91 5.823 13.963 6.049 766 HB VAL 91 HB VAL 91 8.398 13.269 7.479 767 HG11 VAL 91 HG11 VAL 91 6.583 13.816 9.031 768 HG12 VAL 91 HG12 VAL 91 6.987 12.100 9.086 769 HG13 VAL 91 HG13 VAL 91 5.544 12.639 8.227 770 HG21 VAL 91 HG21 VAL 91 7.216 11.955 5.364 771 HG22 VAL 91 HG22 VAL 91 6.599 11.092 6.773 772 HG23 VAL 91 HG23 VAL 91 8.338 11.250 6.528 773 H ARG 92 H ARG 92 8.596 16.022 6.393 774 HA ARG 92 HA ARG 92 8.055 17.322 8.790 775 HB2 ARG 92 HB2 ARG 92 9.946 17.567 6.848 776 HB3 ARG 92 HB3 ARG 92 9.017 19.036 6.588 777 HG2 ARG 92 HG2 ARG 92 9.394 19.737 8.857 778 HG3 ARG 92 HG3 ARG 92 10.194 18.210 9.231 779 HD2 ARG 92 HD2 ARG 92 12.023 19.518 8.841 780 HD3 ARG 92 HD3 ARG 92 11.733 18.917 7.209 781 HE ARG 92 HE ARG 92 11.340 21.625 8.176 782 HH11 ARG 92 HH11 ARG 92 10.762 19.318 5.615 783 HH12 ARG 92 HH12 ARG 92 10.453 20.534 4.424 784 HH21 ARG 92 HH21 ARG 92 10.932 23.220 6.607 785 HH22 ARG 92 HH22 ARG 92 10.550 22.747 4.985 786 H VAL 93 H VAL 93 6.692 17.773 5.590 787 HA VAL 93 HA VAL 93 5.201 20.128 6.316 788 HB VAL 93 HB VAL 93 4.963 18.353 3.878 789 HG11 VAL 93 HG11 VAL 93 2.931 19.581 4.139 790 HG12 VAL 93 HG12 VAL 93 3.875 20.370 2.874 791 HG13 VAL 93 HG13 VAL 93 3.810 21.068 4.494 792 HG21 VAL 93 HG21 VAL 93 6.153 21.038 3.672 793 HG22 VAL 93 HG22 VAL 93 6.606 19.528 2.881 794 HG23 VAL 93 HG23 VAL 93 7.114 19.840 4.540 795 H LEU 94 H LEU 94 4.651 16.682 6.186 796 HA LEU 94 HA LEU 94 2.014 17.091 7.393 797 HB2 LEU 94 HB2 LEU 94 2.587 15.929 4.808 798 HB3 LEU 94 HB3 LEU 94 1.790 14.768 5.849 799 HG LEU 94 HG LEU 94 0.091 16.657 6.298 800 HD11 LEU 94 HD11 LEU 94 1.609 17.712 3.953 801 HD12 LEU 94 HD12 LEU 94 1.044 18.558 5.392 802 HD13 LEU 94 HD13 LEU 94 -0.106 18.072 4.147 803 HD21 LEU 94 HD21 LEU 94 0.285 14.629 4.315 804 HD22 LEU 94 HD22 LEU 94 -0.525 16.024 3.603 805 HD23 LEU 94 HD23 LEU 94 -1.161 15.291 5.075 806 HA PRO 95 HA PRO 95 4.703 14.012 9.682 807 HB2 PRO 95 HB2 PRO 95 4.048 15.639 12.026 808 HB3 PRO 95 HB3 PRO 95 5.630 15.164 11.404 809 HG2 PRO 95 HG2 PRO 95 4.733 17.709 11.282 810 HG3 PRO 95 HG3 PRO 95 5.801 17.013 10.049 811 HD2 PRO 95 HD2 PRO 95 2.837 17.442 9.967 812 HD3 PRO 95 HD3 PRO 95 4.050 17.705 8.695 813 H SER 96 H SER 96 1.672 15.609 10.550 814 HA SER 96 HA SER 96 0.782 13.489 12.257 815 HB2 SER 96 HB2 SER 96 -0.327 16.054 11.256 816 HB3 SER 96 HB3 SER 96 -1.497 14.820 11.726 817 HG SER 96 HG SER 96 0.660 15.592 13.386 818 H SER 97 H SER 97 0.403 14.322 8.875 819 HA SER 97 HA SER 97 -1.727 12.509 8.344 820 HB2 SER 97 HB2 SER 97 -1.425 14.302 6.805 821 HB3 SER 97 HB3 SER 97 0.271 13.896 6.561 822 HG SER 97 HG SER 97 -0.852 13.097 4.828 823 H LEU 98 H LEU 98 1.757 12.232 8.405 824 HA LEU 98 HA LEU 98 2.087 9.876 6.955 825 HB2 LEU 98 HB2 LEU 98 4.128 10.734 7.403 826 HB3 LEU 98 HB3 LEU 98 3.627 11.399 8.944 827 HG LEU 98 HG LEU 98 3.879 9.196 9.987 828 HD11 LEU 98 HD11 LEU 98 3.622 8.183 7.469 829 HD12 LEU 98 HD12 LEU 98 4.204 7.284 8.870 830 HD13 LEU 98 HD13 LEU 98 5.355 8.019 7.752 831 HD21 LEU 98 HD21 LEU 98 6.301 9.093 9.934 832 HD22 LEU 98 HD22 LEU 98 5.766 10.773 9.939 833 HD23 LEU 98 HD23 LEU 98 6.330 10.033 8.441 834 H GLU 99 H GLU 99 1.058 10.416 10.262 835 HA GLU 99 HA GLU 99 1.306 7.789 11.222 836 HB2 GLU 99 HB2 GLU 99 0.545 10.171 12.308 837 HB3 GLU 99 HB3 GLU 99 -0.997 9.333 12.224 838 HG2 GLU 99 HG2 GLU 99 0.319 7.380 13.335 839 HG3 GLU 99 HG3 GLU 99 1.442 8.658 13.796 840 H ILE 100 H ILE 100 -1.049 9.301 9.164 841 HA ILE 100 HA ILE 100 -3.149 7.431 9.485 842 HB ILE 100 HB ILE 100 -2.572 9.009 6.980 843 HG12 ILE 100 HG12 ILE 100 -2.499 10.565 8.837 844 HG13 ILE 100 HG13 ILE 100 -4.018 10.775 7.974 845 HG21 ILE 100 HG21 ILE 100 -4.418 7.140 7.270 846 HG22 ILE 100 HG22 ILE 100 -4.730 8.618 6.359 847 HG23 ILE 100 HG23 ILE 100 -5.300 8.470 8.020 848 HD11 ILE 100 HD11 ILE 100 -3.515 9.662 10.684 849 HD12 ILE 100 HD12 ILE 100 -4.923 9.115 9.776 850 HD13 ILE 100 HD13 ILE 100 -4.724 10.827 10.146 851 H PHE 101 H PHE 101 -0.584 7.720 7.035 852 HA PHE 101 HA PHE 101 -1.298 5.354 5.645 853 HB2 PHE 101 HB2 PHE 101 1.347 6.821 5.706 854 HB3 PHE 101 HB3 PHE 101 0.877 5.602 4.524 855 HD1 PHE 101 HD1 PHE 101 -1.040 6.085 2.980 856 HD2 PHE 101 HD2 PHE 101 0.724 9.068 5.451 857 HE1 PHE 101 HE1 PHE 101 -2.029 7.838 1.564 858 HE2 PHE 101 HE2 PHE 101 -0.262 10.826 4.041 859 HZ PHE 101 HZ PHE 101 -1.643 10.212 2.094 860 H GLU 102 H GLU 102 0.965 6.057 8.251 861 HA GLU 102 HA GLU 102 2.304 3.585 8.278 862 HB2 GLU 102 HB2 GLU 102 3.098 5.601 9.466 863 HB3 GLU 102 HB3 GLU 102 1.762 5.447 10.599 864 HG2 GLU 102 HG2 GLU 102 2.887 2.987 10.777 865 HG3 GLU 102 HG3 GLU 102 4.300 3.991 10.459 866 H GLU 103 H GLU 103 -0.791 4.576 9.537 867 HA GLU 103 HA GLU 103 -1.127 2.312 11.264 868 HB2 GLU 103 HB2 GLU 103 -2.337 4.726 11.117 869 HB3 GLU 103 HB3 GLU 103 -3.525 3.738 10.279 870 HG2 GLU 103 HG2 GLU 103 -3.997 2.477 12.149 871 HG3 GLU 103 HG3 GLU 103 -2.450 2.842 12.912 872 H LEU 104 H LEU 104 -2.476 3.246 8.102 873 HA LEU 104 HA LEU 104 -3.947 0.868 7.719 874 HB2 LEU 104 HB2 LEU 104 -3.989 1.545 5.321 875 HB3 LEU 104 HB3 LEU 104 -4.523 2.791 6.434 876 HG LEU 104 HG LEU 104 -2.060 3.641 6.255 877 HD11 LEU 104 HD11 LEU 104 -0.717 2.682 4.775 878 HD12 LEU 104 HD12 LEU 104 -1.915 2.875 3.497 879 HD13 LEU 104 HD13 LEU 104 -1.941 1.440 4.518 880 HD21 LEU 104 HD21 LEU 104 -2.883 4.621 3.874 881 HD22 LEU 104 HD22 LEU 104 -3.454 5.204 5.437 882 HD23 LEU 104 HD23 LEU 104 -4.409 4.031 4.532 883 H TYR 105 H TYR 105 -0.646 1.782 6.913 884 HA TYR 105 HA TYR 105 -0.013 -0.354 5.225 885 HB2 TYR 105 HB2 TYR 105 1.775 1.003 5.105 886 HB3 TYR 105 HB3 TYR 105 1.423 1.727 6.667 887 HD1 TYR 105 HD1 TYR 105 2.647 -1.600 5.440 888 HD2 TYR 105 HD2 TYR 105 3.161 1.631 8.160 889 HE1 TYR 105 HE1 TYR 105 4.609 -2.729 6.403 890 HE2 TYR 105 HE2 TYR 105 5.125 0.513 9.127 891 HH TYR 105 HH TYR 105 6.769 -1.155 8.543 892 H LYS 106 H LYS 106 0.004 -0.096 8.738 893 HA LYS 106 HA LYS 106 1.142 -2.715 9.109 894 HB2 LYS 106 HB2 LYS 106 1.059 -0.521 10.677 895 HB3 LYS 106 HB3 LYS 106 -0.301 -1.413 11.345 896 HG2 LYS 106 HG2 LYS 106 1.014 -2.956 12.304 897 HG3 LYS 106 HG3 LYS 106 2.136 -2.997 10.943 898 HD2 LYS 106 HD2 LYS 106 2.738 -0.579 11.853 899 HD3 LYS 106 HD3 LYS 106 2.132 -1.268 13.361 900 HE2 LYS 106 HE2 LYS 106 3.918 -2.606 13.605 901 HE3 LYS 106 HE3 LYS 106 3.961 -3.020 11.892 902 HZ1 LYS 106 HZ1 LYS 106 5.353 -0.907 13.328 903 HZ2 LYS 106 HZ2 LYS 106 4.781 -0.504 11.787 904 HZ3 LYS 106 HZ3 LYS 106 5.843 -1.807 11.983 905 H TYR 107 H TYR 107 -2.056 -1.285 9.075 906 HA TYR 107 HA TYR 107 -3.468 -3.448 10.207 907 HB2 TYR 107 HB2 TYR 107 -4.576 -1.348 10.096 908 HB3 TYR 107 HB3 TYR 107 -4.292 -1.204 8.366 909 HD1 TYR 107 HD1 TYR 107 -5.587 -2.624 6.784 910 HD2 TYR 107 HD2 TYR 107 -6.476 -2.510 10.943 911 HE1 TYR 107 HE1 TYR 107 -7.793 -3.605 6.332 912 HE2 TYR 107 HE2 TYR 107 -8.687 -3.492 10.503 913 HH TYR 107 HH TYR 107 -9.540 -5.115 8.128 914 H ALA 108 H ALA 108 -2.700 -2.622 6.845 915 HA ALA 108 HA ALA 108 -4.139 -4.693 5.621 916 HB1 ALA 108 HB1 ALA 108 -1.798 -3.031 4.776 917 HB2 ALA 108 HB2 ALA 108 -3.457 -3.012 4.179 918 HB3 ALA 108 HB3 ALA 108 -2.383 -4.347 3.758 919 H LEU 109 H LEU 109 -1.091 -4.708 7.283 920 HA LEU 109 HA LEU 109 0.122 -6.955 6.170 921 HB2 LEU 109 HB2 LEU 109 0.184 -5.977 9.024 922 HB3 LEU 109 HB3 LEU 109 1.264 -7.192 8.367 923 HG LEU 109 HG LEU 109 1.126 -4.275 7.617 924 HD11 LEU 109 HD11 LEU 109 3.202 -4.053 8.619 925 HD12 LEU 109 HD12 LEU 109 3.528 -5.785 8.562 926 HD13 LEU 109 HD13 LEU 109 2.356 -5.145 9.714 927 HD21 LEU 109 HD21 LEU 109 1.640 -5.078 5.557 928 HD22 LEU 109 HD22 LEU 109 2.274 -6.599 6.184 929 HD23 LEU 109 HD23 LEU 109 3.254 -5.134 6.265 930 H ASN 110 H ASN 110 -2.272 -6.719 8.768 931 HA ASN 110 HA ASN 110 -2.298 -9.458 9.442 932 HB2 ASN 110 HB2 ASN 110 -4.143 -7.150 9.895 933 HB3 ASN 110 HB3 ASN 110 -4.725 -8.777 10.230 934 HD21 ASN 110 HD21 ASN 110 -1.928 -6.690 10.850 935 HD22 ASN 110 HD22 ASN 110 -1.675 -7.221 12.473 936 H GLU 111 H GLU 111 -3.885 -7.624 6.933 937 HA GLU 111 HA GLU 111 -5.853 -9.557 6.264 938 HB2 GLU 111 HB2 GLU 111 -4.638 -7.409 4.520 939 HB3 GLU 111 HB3 GLU 111 -6.137 -8.273 4.204 940 HG2 GLU 111 HG2 GLU 111 -6.272 -7.118 6.804 941 HG3 GLU 111 HG3 GLU 111 -5.760 -5.885 5.654 942 H ASN 112 H ASN 112 -2.521 -9.049 5.309 943 HA ASN 112 HA ASN 112 -2.578 -10.897 3.127 944 HB2 ASN 112 HB2 ASN 112 -0.550 -9.243 4.495 945 HB3 ASN 112 HB3 ASN 112 0.059 -10.730 3.772 946 HD21 ASN 112 HD21 ASN 112 -0.609 -7.541 3.231 947 HD22 ASN 112 HD22 ASN 112 -0.656 -7.554 1.504 948 H SER 113 H SER 113 -1.860 -11.088 6.548 949 HA SER 113 HA SER 113 -0.634 -13.641 6.516 950 HB2 SER 113 HB2 SER 113 -2.088 -12.191 8.740 951 HB3 SER 113 HB3 SER 113 -1.125 -13.653 8.957 952 HG SER 113 HG SER 113 0.559 -12.420 9.040 953 H ASN 114 H ASN 114 -1.476 -15.676 7.002 954 HA ASN 114 HA ASN 114 -4.375 -15.925 6.559 955 HB2 ASN 114 HB2 ASN 114 -2.209 -17.983 6.081 956 HB3 ASN 114 HB3 ASN 114 -3.920 -18.174 5.712 957 HD21 ASN 114 HD21 ASN 114 -2.260 -18.609 3.710 958 HD22 ASN 114 HD22 ASN 114 -2.265 -17.305 2.577 959 H ASP 115 H ASP 115 -5.594 -16.639 8.177 960 HA ASP 115 HA ASP 115 -4.437 -17.358 10.685 961 HB2 ASP 115 HB2 ASP 115 -7.181 -16.970 9.616 962 HB3 ASP 115 HB3 ASP 115 -7.022 -17.986 11.045 963 H ARG 116 H ARG 116 -5.783 -19.116 7.985 964 HA ARG 116 HA ARG 116 -5.777 -21.632 9.440 965 HB2 ARG 116 HB2 ARG 116 -6.623 -20.797 6.682 966 HB3 ARG 116 HB3 ARG 116 -6.421 -22.498 7.077 967 HG2 ARG 116 HG2 ARG 116 -8.321 -22.577 8.252 968 HG3 ARG 116 HG3 ARG 116 -8.033 -21.009 9.010 969 HD2 ARG 116 HD2 ARG 116 -10.046 -21.155 7.490 970 HD3 ARG 116 HD3 ARG 116 -8.916 -19.843 7.156 971 HE ARG 116 HE ARG 116 -8.519 -20.773 5.112 972 HH11 ARG 116 HH11 ARG 116 -9.924 -23.210 7.178 973 HH12 ARG 116 HH12 ARG 116 -10.065 -24.382 5.910 974 HH21 ARG 116 HH21 ARG 116 -8.705 -22.312 3.443 975 HH22 ARG 116 HH22 ARG 116 -9.372 -23.873 3.790 976 H SER 117 H SER 117 -4.457 -23.393 8.963 977 HA SER 117 HA SER 117 -2.330 -23.103 7.014 978 HB2 SER 117 HB2 SER 117 -0.556 -23.578 8.717 979 HB3 SER 117 HB3 SER 117 -1.309 -21.995 8.903 980 HG SER 117 HG SER 117 -1.287 -22.861 10.913 981 H GLU 118 H GLU 118 -4.494 -24.867 7.114 982 HA GLU 118 HA GLU 118 -4.991 -27.070 6.854 983 HB2 GLU 118 HB2 GLU 118 -2.481 -26.785 5.840 984 HB3 GLU 118 HB3 GLU 118 -2.208 -28.022 7.059 985 HG2 GLU 118 HG2 GLU 118 -4.413 -29.008 5.886 986 HG3 GLU 118 HG3 GLU 118 -3.694 -28.152 4.523 987 H HIS 119 H HIS 119 -6.020 -27.725 8.647 988 HA HIS 119 HA HIS 119 -4.920 -27.897 11.219 989 HB2 HIS 119 HB2 HIS 119 -6.920 -29.326 11.726 990 HB3 HIS 119 HB3 HIS 119 -7.302 -27.790 10.957 991 HD1 HIS 119 HD1 HIS 119 -6.865 -31.439 9.996 992 HD2 HIS 119 HD2 HIS 119 -8.867 -28.017 8.751 993 HE1 HIS 119 HE1 HIS 119 -8.352 -32.179 8.107 994 HE2 HIS 119 HE2 HIS 119 -9.614 -30.108 7.425 995 H HIS 120 H HIS 120 -4.635 -30.006 8.523 996 HA HIS 120 HA HIS 120 -3.461 -31.929 8.211 997 HB2 HIS 120 HB2 HIS 120 -1.872 -30.747 9.853 998 HB3 HIS 120 HB3 HIS 120 -2.556 -31.808 11.080 999 HD1 HIS 120 HD1 HIS 120 -0.625 -33.342 11.509 1000 HD2 HIS 120 HD2 HIS 120 -1.483 -32.961 7.461 1001 HE1 HIS 120 HE1 HIS 120 0.825 -35.040 10.351 1002 HE2 HIS 120 HE2 HIS 120 0.354 -34.728 7.896 1003 H LYS 121 H LYS 121 -5.254 -33.230 7.949 1004 HA LYS 121 HA LYS 121 -5.575 -35.370 9.733 1005 HB2 LYS 121 HB2 LYS 121 -6.822 -33.283 10.822 1006 HB3 LYS 121 HB3 LYS 121 -8.103 -33.794 9.731 1007 HG2 LYS 121 HG2 LYS 121 -8.518 -34.835 11.808 1008 HG3 LYS 121 HG3 LYS 121 -7.896 -36.090 10.733 1009 HD2 LYS 121 HD2 LYS 121 -5.631 -35.698 11.723 1010 HD3 LYS 121 HD3 LYS 121 -6.394 -34.625 12.899 1011 HE2 LYS 121 HE2 LYS 121 -7.679 -37.244 12.663 1012 HE3 LYS 121 HE3 LYS 121 -6.008 -37.313 13.224 1013 HZ1 LYS 121 HZ1 LYS 121 -8.080 -36.907 14.835 1014 HZ2 LYS 121 HZ2 LYS 121 -7.687 -35.301 14.478 1015 HZ3 LYS 121 HZ3 LYS 121 -6.526 -36.324 15.162 1016 H LYS 122 H LYS 122 -6.708 -37.039 8.803 1017 HA LYS 122 HA LYS 122 -8.317 -36.494 6.430 1018 HB2 LYS 122 HB2 LYS 122 -5.773 -38.078 6.478 1019 HB3 LYS 122 HB3 LYS 122 -7.046 -38.496 5.341 1020 HG2 LYS 122 HG2 LYS 122 -6.942 -35.944 4.762 1021 HG3 LYS 122 HG3 LYS 122 -5.324 -36.072 5.456 1022 HD2 LYS 122 HD2 LYS 122 -4.598 -37.543 3.820 1023 HD3 LYS 122 HD3 LYS 122 -6.237 -38.054 3.410 1024 HE2 LYS 122 HE2 LYS 122 -5.489 -35.210 2.965 1025 HE3 LYS 122 HE3 LYS 122 -4.858 -36.423 1.851 1026 HZ1 LYS 122 HZ1 LYS 122 -6.885 -36.803 0.979 1027 HZ2 LYS 122 HZ2 LYS 122 -7.212 -35.241 1.542 1028 HZ3 LYS 122 HZ3 LYS 122 -7.700 -36.586 2.445 1029 HA PRO 123 HA PRO 123 -10.923 -39.473 8.492 1030 HB2 PRO 123 HB2 PRO 123 -11.943 -39.887 5.725 1031 HB3 PRO 123 HB3 PRO 123 -12.830 -39.531 7.211 1032 HG2 PRO 123 HG2 PRO 123 -12.456 -37.646 5.371 1033 HG3 PRO 123 HG3 PRO 123 -12.370 -37.260 7.100 1034 HD2 PRO 123 HD2 PRO 123 -10.161 -37.597 5.119 1035 HD3 PRO 123 HD3 PRO 123 -10.297 -36.463 6.477 1036 H ARG 124 H ARG 124 -10.494 -41.529 8.983 1037 HA ARG 124 HA ARG 124 -8.961 -43.137 7.072 1038 HB2 ARG 124 HB2 ARG 124 -9.480 -43.808 9.965 1039 HB3 ARG 124 HB3 ARG 124 -8.219 -44.440 8.915 1040 HG2 ARG 124 HG2 ARG 124 -7.100 -42.301 8.904 1041 HG3 ARG 124 HG3 ARG 124 -8.406 -41.584 9.851 1042 HD2 ARG 124 HD2 ARG 124 -7.186 -42.094 11.648 1043 HD3 ARG 124 HD3 ARG 124 -7.663 -43.766 11.358 1044 HE ARG 124 HE ARG 124 -5.451 -43.352 9.784 1045 HH11 ARG 124 HH11 ARG 124 -6.178 -43.142 13.191 1046 HH12 ARG 124 HH12 ARG 124 -4.568 -43.548 13.686 1047 HH21 ARG 124 HH21 ARG 124 -3.334 -43.884 10.433 1048 HH22 ARG 124 HH22 ARG 124 -2.953 -43.969 12.121 1049 H ILE 125 H ILE 125 -10.485 -43.996 5.719 1050 HA ILE 125 HA ILE 125 -12.615 -45.607 6.961 1051 HB ILE 125 HB ILE 125 -12.560 -44.613 4.115 1052 HG12 ILE 125 HG12 ILE 125 -14.546 -43.363 5.815 1053 HG13 ILE 125 HG13 ILE 125 -12.921 -43.065 6.427 1054 HG21 ILE 125 HG21 ILE 125 -15.083 -45.275 5.481 1055 HG22 ILE 125 HG22 ILE 125 -14.009 -46.633 5.147 1056 HG23 ILE 125 HG23 ILE 125 -14.564 -45.602 3.827 1057 HD11 ILE 125 HD11 ILE 125 -13.560 -42.625 3.543 1058 HD12 ILE 125 HD12 ILE 125 -12.281 -41.914 4.527 1059 HD13 ILE 125 HD13 ILE 125 -13.955 -41.408 4.758 1060 H ASP 126 H ASP 126 -10.006 -45.593 4.621 1061 HA ASP 126 HA ASP 126 -10.501 -48.382 3.924 1062 HB2 ASP 126 HB2 ASP 126 -8.603 -48.043 2.329 1063 HB3 ASP 126 HB3 ASP 126 -9.957 -46.947 2.068 1064 H ASP 127 H ASP 127 -8.497 -49.808 3.798 1065 HA ASP 127 HA ASP 127 -6.306 -49.330 5.527 1066 HB2 ASP 127 HB2 ASP 127 -8.723 -50.464 6.717 1067 HB3 ASP 127 HB3 ASP 127 -7.303 -51.479 6.954 1068 H SER 128 H SER 128 -8.409 -51.826 4.142 1069 HA SER 128 HA SER 128 -6.001 -53.360 3.423 1070 HB2 SER 128 HB2 SER 128 -8.852 -54.304 3.800 1071 HB3 SER 128 HB3 SER 128 -7.523 -55.322 3.245 1072 HG SER 128 HG SER 128 -7.988 -55.398 5.556 1073 H SER 129 H SER 129 -5.435 -53.236 1.363 1074 HA SER 129 HA SER 129 -7.515 -53.198 -0.695 1075 HB2 SER 129 HB2 SER 129 -5.781 -51.498 -1.856 1076 HB3 SER 129 HB3 SER 129 -7.141 -50.951 -0.874 1077 HG SER 129 HG SER 129 -5.783 -50.228 0.554 1078 H ASP 130 H ASP 130 -3.999 -53.269 -0.128 1079 HA ASP 130 HA ASP 130 -3.811 -55.603 -1.867 1080 HB2 ASP 130 HB2 ASP 130 -2.343 -53.010 -2.322 1081 HB3 ASP 130 HB3 ASP 130 -1.750 -54.543 -2.954 1082 H LEU 131 H LEU 131 -3.276 -56.855 -0.096 1083 HA LEU 131 HA LEU 131 -0.568 -56.437 0.930 1084 HB2 LEU 131 HB2 LEU 131 -3.022 -56.240 2.467 1085 HB3 LEU 131 HB3 LEU 131 -1.964 -57.484 3.103 1086 HG LEU 131 HG LEU 131 -0.697 -54.875 2.511 1087 HD11 LEU 131 HD11 LEU 131 -2.953 -55.197 4.387 1088 HD12 LEU 131 HD12 LEU 131 -2.358 -53.760 3.557 1089 HD13 LEU 131 HD13 LEU 131 -1.535 -54.348 5.002 1090 HD21 LEU 131 HD21 LEU 131 0.260 -55.461 4.829 1091 HD22 LEU 131 HD22 LEU 131 0.740 -56.444 3.447 1092 HD23 LEU 131 HD23 LEU 131 -0.481 -57.040 4.569 1093 H LEU 132 H LEU 132 -0.145 -58.138 -0.626 1094 HA LEU 132 HA LEU 132 -0.726 -60.787 0.506 1095 HB2 LEU 132 HB2 LEU 132 -1.034 -59.879 -2.336 1096 HB3 LEU 132 HB3 LEU 132 -0.689 -61.558 -1.972 1097 HG LEU 132 HG LEU 132 -3.057 -61.301 -2.283 1098 HD11 LEU 132 HD11 LEU 132 -3.853 -62.310 -0.308 1099 HD12 LEU 132 HD12 LEU 132 -2.636 -61.507 0.685 1100 HD13 LEU 132 HD13 LEU 132 -2.157 -62.780 -0.438 1101 HD21 LEU 132 HD21 LEU 132 -3.489 -59.565 0.049 1102 HD22 LEU 132 HD22 LEU 132 -4.313 -59.602 -1.509 1103 HD23 LEU 132 HD23 LEU 132 -2.760 -58.778 -1.352 1104 H LYS 133 H LYS 133 0.736 -62.443 -0.876 1105 HA LYS 133 HA LYS 133 3.466 -61.399 -0.604 1106 HB2 LYS 133 HB2 LYS 133 2.181 -63.996 -0.085 1107 HB3 LYS 133 HB3 LYS 133 3.753 -64.104 -0.868 1108 HG2 LYS 133 HG2 LYS 133 4.519 -64.068 1.237 1109 HG3 LYS 133 HG3 LYS 133 4.306 -62.324 1.080 1110 HD2 LYS 133 HD2 LYS 133 3.067 -62.534 2.945 1111 HD3 LYS 133 HD3 LYS 133 1.812 -63.098 1.837 1112 HE2 LYS 133 HE2 LYS 133 3.691 -64.745 3.514 1113 HE3 LYS 133 HE3 LYS 133 1.930 -64.686 3.594 1114 HZ1 LYS 133 HZ1 LYS 133 2.551 -66.670 2.477 1115 HZ2 LYS 133 HZ2 LYS 133 3.587 -65.846 1.425 1116 HZ3 LYS 133 HZ3 LYS 133 1.916 -65.627 1.308 1117 H THR 134 H THR 134 1.345 -63.171 -2.798 1118 HA THR 134 HA THR 134 3.023 -62.359 -5.031 1119 HB THR 134 HB THR 134 2.741 -64.798 -5.925 1120 HG1 THR 134 HG1 THR 134 2.160 -66.233 -4.523 1121 HG21 THR 134 HG21 THR 134 4.921 -65.035 -5.595 1122 HG22 THR 134 HG22 THR 134 4.740 -65.017 -3.841 1123 HG23 THR 134 HG23 THR 134 4.851 -63.498 -4.732 1124 H ASP 135 H ASP 135 1.926 -63.295 -7.148 1125 HA ASP 135 HA ASP 135 0.147 -63.177 -8.558 1126 HB2 ASP 135 HB2 ASP 135 -0.632 -64.853 -6.487 1127 HB3 ASP 135 HB3 ASP 135 -1.967 -63.710 -6.618 1128 H GLU 136 H GLU 136 -1.718 -61.887 -9.137 1129 HA GLU 136 HA GLU 136 -2.169 -59.590 -7.355 1130 HB2 GLU 136 HB2 GLU 136 -2.225 -58.134 -9.371 1131 HB3 GLU 136 HB3 GLU 136 -0.644 -58.837 -9.062 1132 HG2 GLU 136 HG2 GLU 136 -1.746 -60.680 -10.732 1133 HG3 GLU 136 HG3 GLU 136 -2.447 -59.180 -11.336 1134 H ILE 137 H ILE 137 -4.174 -60.293 -6.683 1135 HA ILE 137 HA ILE 137 -6.201 -60.814 -8.737 1136 HB ILE 137 HB ILE 137 -6.492 -61.164 -5.755 1137 HG12 ILE 137 HG12 ILE 137 -6.326 -63.691 -6.773 1138 HG13 ILE 137 HG13 ILE 137 -5.164 -62.840 -7.785 1139 HG21 ILE 137 HG21 ILE 137 -8.438 -61.045 -7.603 1140 HG22 ILE 137 HG22 ILE 137 -8.535 -62.041 -6.151 1141 HG23 ILE 137 HG23 ILE 137 -8.048 -62.764 -7.685 1142 HD11 ILE 137 HD11 ILE 137 -4.061 -63.820 -5.881 1143 HD12 ILE 137 HD12 ILE 137 -5.153 -62.979 -4.781 1144 HD13 ILE 137 HD13 ILE 137 -4.011 -62.060 -5.763 Start of MODEL 18 1 H1 GLY -2 H1 GLY -2 -17.499 -1.220 -13.669 2 H2 GLY -2 H2 GLY -2 -18.316 -1.789 -15.035 3 H3 GLY -2 H3 GLY -2 -18.335 -2.689 -13.604 4 HA2 GLY -2 HA2 GLY -2 -19.813 -0.249 -14.295 5 HA3 GLY -2 HA3 GLY -2 -20.391 -1.712 -13.510 6 H HIS -1 H HIS -1 -18.053 -1.710 -11.668 7 HA HIS -1 HA HIS -1 -19.150 0.217 -9.763 8 HB2 HIS -1 HB2 HIS -1 -17.815 -1.088 -8.088 9 HB3 HIS -1 HB3 HIS -1 -19.044 -2.031 -8.925 10 HD1 HIS -1 HD1 HIS -1 -15.335 -1.630 -8.610 11 HD2 HIS -1 HD2 HIS -1 -18.069 -4.075 -10.562 12 HE1 HIS -1 HE1 HIS -1 -13.991 -3.553 -9.513 13 HE2 HIS -1 HE2 HIS -1 -15.679 -5.059 -10.622 14 H MET 0 H MET 0 -16.189 -0.609 -11.442 15 HA MET 0 HA MET 0 -14.523 1.191 -9.972 16 HB2 MET 0 HB2 MET 0 -14.129 -0.155 -12.650 17 HB3 MET 0 HB3 MET 0 -12.891 0.773 -11.813 18 HG2 MET 0 HG2 MET 0 -13.583 -0.958 -9.872 19 HG3 MET 0 HG3 MET 0 -13.897 -1.941 -11.301 20 HE1 MET 0 HE1 MET 0 -10.505 -2.216 -9.086 21 HE2 MET 0 HE2 MET 0 -11.131 -3.550 -10.054 22 HE3 MET 0 HE3 MET 0 -12.232 -2.580 -9.076 23 H MET 1 H MET 1 -13.947 3.262 -10.416 24 HA MET 1 HA MET 1 -15.033 4.512 -12.840 25 HB2 MET 1 HB2 MET 1 -15.574 5.235 -10.007 26 HB3 MET 1 HB3 MET 1 -15.347 6.555 -11.147 27 HG2 MET 1 HG2 MET 1 -17.078 5.158 -12.565 28 HG3 MET 1 HG3 MET 1 -17.521 4.546 -10.973 29 HE1 MET 1 HE1 MET 1 -19.135 6.731 -13.322 30 HE2 MET 1 HE2 MET 1 -20.240 7.249 -12.049 31 HE3 MET 1 HE3 MET 1 -19.784 5.551 -12.183 32 H SER 2 H SER 2 -12.878 4.909 -10.044 33 HA SER 2 HA SER 2 -10.661 5.633 -11.647 34 HB2 SER 2 HB2 SER 2 -12.334 7.746 -11.417 35 HB3 SER 2 HB3 SER 2 -11.355 7.972 -9.967 36 HG SER 2 HG SER 2 -10.634 8.903 -12.114 37 H LYS 3 H LYS 3 -8.741 6.056 -10.391 38 HA LYS 3 HA LYS 3 -7.317 5.655 -8.664 39 HB2 LYS 3 HB2 LYS 3 -9.788 6.509 -7.186 40 HB3 LYS 3 HB3 LYS 3 -8.360 5.978 -6.309 41 HG2 LYS 3 HG2 LYS 3 -8.090 8.267 -6.384 42 HG3 LYS 3 HG3 LYS 3 -7.112 7.723 -7.750 43 HD2 LYS 3 HD2 LYS 3 -9.210 8.103 -9.165 44 HD3 LYS 3 HD3 LYS 3 -9.832 9.000 -7.778 45 HE2 LYS 3 HE2 LYS 3 -8.844 10.609 -9.189 46 HE3 LYS 3 HE3 LYS 3 -7.698 10.358 -7.873 47 HZ1 LYS 3 HZ1 LYS 3 -6.421 10.347 -9.811 48 HZ2 LYS 3 HZ2 LYS 3 -7.524 9.385 -10.659 49 HZ3 LYS 3 HZ3 LYS 3 -6.589 8.709 -9.422 50 H LEU 4 H LEU 4 -6.547 3.709 -8.213 51 HA LEU 4 HA LEU 4 -8.434 1.553 -7.579 52 HB2 LEU 4 HB2 LEU 4 -6.659 0.019 -8.239 53 HB3 LEU 4 HB3 LEU 4 -7.022 1.161 -9.518 54 HG LEU 4 HG LEU 4 -4.848 2.057 -7.781 55 HD11 LEU 4 HD11 LEU 4 -4.363 -0.300 -7.611 56 HD12 LEU 4 HD12 LEU 4 -3.196 0.467 -8.688 57 HD13 LEU 4 HD13 LEU 4 -4.516 -0.491 -9.358 58 HD21 LEU 4 HD21 LEU 4 -5.285 1.716 -10.736 59 HD22 LEU 4 HD22 LEU 4 -3.761 2.285 -10.054 60 HD23 LEU 4 HD23 LEU 4 -5.241 3.211 -9.803 61 H PHE 5 H PHE 5 -5.621 3.259 -6.392 62 HA PHE 5 HA PHE 5 -5.171 1.468 -4.189 63 HB2 PHE 5 HB2 PHE 5 -3.501 3.083 -3.467 64 HB3 PHE 5 HB3 PHE 5 -3.340 2.791 -5.195 65 HD1 PHE 5 HD1 PHE 5 -4.778 5.161 -2.728 66 HD2 PHE 5 HD2 PHE 5 -3.374 4.563 -6.701 67 HE1 PHE 5 HE1 PHE 5 -4.941 7.581 -3.147 68 HE2 PHE 5 HE2 PHE 5 -3.532 6.981 -7.126 69 HZ PHE 5 HZ PHE 5 -4.316 8.493 -5.347 70 H LEU 6 H LEU 6 -6.905 4.463 -4.728 71 HA LEU 6 HA LEU 6 -7.448 4.873 -1.923 72 HB2 LEU 6 HB2 LEU 6 -7.489 6.469 -4.214 73 HB3 LEU 6 HB3 LEU 6 -9.167 6.352 -3.726 74 HG LEU 6 HG LEU 6 -6.915 7.263 -1.933 75 HD11 LEU 6 HD11 LEU 6 -8.355 9.447 -2.184 76 HD12 LEU 6 HD12 LEU 6 -8.791 8.716 -3.729 77 HD13 LEU 6 HD13 LEU 6 -7.098 9.044 -3.355 78 HD21 LEU 6 HD21 LEU 6 -9.798 6.720 -1.530 79 HD22 LEU 6 HD22 LEU 6 -9.133 8.160 -0.758 80 HD23 LEU 6 HD23 LEU 6 -8.446 6.575 -0.407 81 H ASP 7 H ASP 7 -8.904 3.191 -4.557 82 HA ASP 7 HA ASP 7 -11.475 3.002 -3.179 83 HB2 ASP 7 HB2 ASP 7 -11.104 3.376 -5.754 84 HB3 ASP 7 HB3 ASP 7 -10.893 1.628 -5.775 85 H GLU 8 H GLU 8 -9.056 1.725 -2.123 86 HA GLU 8 HA GLU 8 -9.883 -1.097 -2.307 87 HB2 GLU 8 HB2 GLU 8 -7.488 -0.275 -3.037 88 HB3 GLU 8 HB3 GLU 8 -7.179 -0.302 -1.305 89 HG2 GLU 8 HG2 GLU 8 -7.153 -2.543 -1.209 90 HG3 GLU 8 HG3 GLU 8 -8.455 -2.717 -2.385 91 H LEU 9 H LEU 9 -8.764 1.468 -0.153 92 HA LEU 9 HA LEU 9 -9.121 -0.101 2.226 93 HB2 LEU 9 HB2 LEU 9 -8.707 2.050 3.397 94 HB3 LEU 9 HB3 LEU 9 -7.451 1.608 2.258 95 HG LEU 9 HG LEU 9 -9.157 3.194 0.753 96 HD11 LEU 9 HD11 LEU 9 -10.415 4.240 2.319 97 HD12 LEU 9 HD12 LEU 9 -8.990 5.275 2.412 98 HD13 LEU 9 HD13 LEU 9 -9.228 3.993 3.599 99 HD21 LEU 9 HD21 LEU 9 -7.300 4.475 0.445 100 HD22 LEU 9 HD22 LEU 9 -6.544 3.048 1.152 101 HD23 LEU 9 HD23 LEU 9 -6.868 4.461 2.154 102 HA PRO 10 HA PRO 10 -13.338 0.440 3.343 103 HB2 PRO 10 HB2 PRO 10 -12.417 1.951 5.746 104 HB3 PRO 10 HB3 PRO 10 -13.526 0.578 5.636 105 HG2 PRO 10 HG2 PRO 10 -11.028 0.232 6.483 106 HG3 PRO 10 HG3 PRO 10 -11.804 -0.965 5.429 107 HD2 PRO 10 HD2 PRO 10 -9.733 1.078 4.778 108 HD3 PRO 10 HD3 PRO 10 -9.956 -0.554 4.118 109 H GLU 11 H GLU 11 -15.027 1.964 3.385 110 HA GLU 11 HA GLU 11 -14.394 4.469 2.143 111 HB2 GLU 11 HB2 GLU 11 -16.551 2.828 2.043 112 HB3 GLU 11 HB3 GLU 11 -17.132 4.047 3.168 113 HG2 GLU 11 HG2 GLU 11 -15.935 4.749 0.508 114 HG3 GLU 11 HG3 GLU 11 -17.651 4.403 0.718 115 H SER 12 H SER 12 -15.256 3.399 5.353 116 HA SER 12 HA SER 12 -15.979 5.890 6.448 117 HB2 SER 12 HB2 SER 12 -15.245 3.224 7.489 118 HB3 SER 12 HB3 SER 12 -14.961 4.569 8.594 119 HG SER 12 HG SER 12 -17.126 5.132 8.412 120 H LEU 13 H LEU 13 -12.864 4.231 6.196 121 HA LEU 13 HA LEU 13 -11.457 6.321 7.594 122 HB2 LEU 13 HB2 LEU 13 -10.662 3.802 6.184 123 HB3 LEU 13 HB3 LEU 13 -9.441 4.990 6.601 124 HG LEU 13 HG LEU 13 -11.318 3.861 8.662 125 HD11 LEU 13 HD11 LEU 13 -8.571 2.810 8.021 126 HD12 LEU 13 HD12 LEU 13 -10.067 2.039 7.495 127 HD13 LEU 13 HD13 LEU 13 -9.710 2.192 9.216 128 HD21 LEU 13 HD21 LEU 13 -9.677 5.981 8.818 129 HD22 LEU 13 HD22 LEU 13 -8.557 4.697 9.276 130 HD23 LEU 13 HD23 LEU 13 -10.048 4.935 10.188 131 H SER 14 H SER 14 -12.175 5.499 4.281 132 HA SER 14 HA SER 14 -10.233 6.950 2.928 133 HB2 SER 14 HB2 SER 14 -12.347 5.452 2.153 134 HB3 SER 14 HB3 SER 14 -12.966 7.064 1.793 135 HG SER 14 HG SER 14 -11.749 7.032 0.094 136 H ARG 15 H ARG 15 -13.064 8.056 4.629 137 HA ARG 15 HA ARG 15 -13.250 10.633 3.488 138 HB2 ARG 15 HB2 ARG 15 -14.409 9.201 5.756 139 HB3 ARG 15 HB3 ARG 15 -14.174 10.913 6.082 140 HG2 ARG 15 HG2 ARG 15 -16.185 11.132 5.130 141 HG3 ARG 15 HG3 ARG 15 -15.288 11.009 3.615 142 HD2 ARG 15 HD2 ARG 15 -17.239 9.516 3.665 143 HD3 ARG 15 HD3 ARG 15 -15.724 8.629 3.514 144 HE ARG 15 HE ARG 15 -16.126 7.661 5.550 145 HH11 ARG 15 HH11 ARG 15 -18.256 10.398 5.162 146 HH12 ARG 15 HH12 ARG 15 -19.184 10.035 6.576 147 HH21 ARG 15 HH21 ARG 15 -17.348 7.181 7.411 148 HH22 ARG 15 HH22 ARG 15 -18.669 8.209 7.854 149 H LYS 16 H LYS 16 -11.339 9.321 6.128 150 HA LYS 16 HA LYS 16 -10.392 11.897 6.994 151 HB2 LYS 16 HB2 LYS 16 -10.330 9.216 7.982 152 HB3 LYS 16 HB3 LYS 16 -8.679 9.821 7.922 153 HG2 LYS 16 HG2 LYS 16 -9.289 10.494 10.013 154 HG3 LYS 16 HG3 LYS 16 -9.749 11.921 9.081 155 HD2 LYS 16 HD2 LYS 16 -11.773 9.773 9.404 156 HD3 LYS 16 HD3 LYS 16 -11.400 10.767 10.815 157 HE2 LYS 16 HE2 LYS 16 -12.157 11.876 8.117 158 HE3 LYS 16 HE3 LYS 16 -13.306 11.598 9.425 159 HZ1 LYS 16 HZ1 LYS 16 -12.564 13.371 10.571 160 HZ2 LYS 16 HZ2 LYS 16 -12.044 13.902 9.051 161 HZ3 LYS 16 HZ3 LYS 16 -10.952 13.159 10.106 162 H ILE 17 H ILE 17 -9.365 9.444 4.752 163 HA ILE 17 HA ILE 17 -6.673 10.440 4.512 164 HB ILE 17 HB ILE 17 -8.123 8.591 2.620 165 HG12 ILE 17 HG12 ILE 17 -6.461 7.907 5.055 166 HG13 ILE 17 HG13 ILE 17 -8.205 7.714 4.918 167 HG21 ILE 17 HG21 ILE 17 -5.385 9.608 2.836 168 HG22 ILE 17 HG22 ILE 17 -6.241 8.929 1.451 169 HG23 ILE 17 HG23 ILE 17 -5.502 7.859 2.640 170 HD11 ILE 17 HD11 ILE 17 -6.942 6.369 2.744 171 HD12 ILE 17 HD12 ILE 17 -7.939 5.708 4.040 172 HD13 ILE 17 HD13 ILE 17 -6.198 5.866 4.262 173 H GLY 18 H GLY 18 -9.583 10.484 2.461 174 HA2 GLY 18 HA2 GLY 18 -8.537 11.921 0.318 175 HA3 GLY 18 HA3 GLY 18 -10.229 11.909 0.784 176 H THR 19 H THR 19 -9.479 13.056 3.468 177 HA THR 19 HA THR 19 -9.687 15.812 2.668 178 HB THR 19 HB THR 19 -11.007 15.017 4.547 179 HG1 THR 19 HG1 THR 19 -8.970 16.799 5.393 180 HG21 THR 19 HG21 THR 19 -9.757 13.303 5.543 181 HG22 THR 19 HG22 THR 19 -9.837 14.597 6.737 182 HG23 THR 19 HG23 THR 19 -8.365 14.354 5.797 183 H VAL 20 H VAL 20 -7.258 13.782 4.238 184 HA VAL 20 HA VAL 20 -5.445 15.983 4.652 185 HB VAL 20 HB VAL 20 -5.455 14.066 6.187 186 HG11 VAL 20 HG11 VAL 20 -4.403 12.507 3.831 187 HG12 VAL 20 HG12 VAL 20 -5.973 12.296 4.605 188 HG13 VAL 20 HG13 VAL 20 -4.495 11.919 5.491 189 HG21 VAL 20 HG21 VAL 20 -3.396 15.489 5.700 190 HG22 VAL 20 HG22 VAL 20 -2.806 14.112 4.771 191 HG23 VAL 20 HG23 VAL 20 -3.130 13.939 6.496 192 H VAL 21 H VAL 21 -5.784 13.334 2.340 193 HA VAL 21 HA VAL 21 -3.346 13.561 1.019 194 HB VAL 21 HB VAL 21 -6.021 12.856 -0.201 195 HG11 VAL 21 HG11 VAL 21 -3.221 12.240 -1.142 196 HG12 VAL 21 HG12 VAL 21 -4.340 13.379 -1.891 197 HG13 VAL 21 HG13 VAL 21 -4.711 11.654 -1.883 198 HG21 VAL 21 HG21 VAL 21 -4.107 10.732 0.466 199 HG22 VAL 21 HG22 VAL 21 -5.857 10.789 0.666 200 HG23 VAL 21 HG23 VAL 21 -4.809 11.564 1.853 201 H ARG 22 H ARG 22 -6.226 15.532 0.804 202 HA ARG 22 HA ARG 22 -5.818 16.837 -1.607 203 HB2 ARG 22 HB2 ARG 22 -7.340 17.309 0.824 204 HB3 ARG 22 HB3 ARG 22 -6.781 18.814 0.108 205 HG2 ARG 22 HG2 ARG 22 -8.457 18.723 -1.329 206 HG3 ARG 22 HG3 ARG 22 -7.772 17.245 -2.006 207 HD2 ARG 22 HD2 ARG 22 -9.458 16.048 -1.193 208 HD3 ARG 22 HD3 ARG 22 -9.125 16.627 0.438 209 HE ARG 22 HE ARG 22 -10.496 18.644 -0.904 210 HH11 ARG 22 HH11 ARG 22 -11.075 15.382 0.191 211 HH12 ARG 22 HH12 ARG 22 -12.775 15.624 0.411 212 HH21 ARG 22 HH21 ARG 22 -12.732 18.964 -0.614 213 HH22 ARG 22 HH22 ARG 22 -13.715 17.657 -0.047 214 H VAL 23 H VAL 23 -4.208 17.229 1.457 215 HA VAL 23 HA VAL 23 -2.886 19.685 0.736 216 HB VAL 23 HB VAL 23 -2.260 17.790 3.007 217 HG11 VAL 23 HG11 VAL 23 -1.692 20.711 3.078 218 HG12 VAL 23 HG12 VAL 23 -0.605 19.664 2.165 219 HG13 VAL 23 HG13 VAL 23 -0.866 19.380 3.886 220 HG21 VAL 23 HG21 VAL 23 -3.810 18.831 4.326 221 HG22 VAL 23 HG22 VAL 23 -4.627 18.927 2.766 222 HG23 VAL 23 HG23 VAL 23 -3.761 20.327 3.396 223 H LEU 24 H LEU 24 -1.893 16.293 1.170 224 HA LEU 24 HA LEU 24 0.497 16.873 -0.448 225 HB2 LEU 24 HB2 LEU 24 0.136 15.442 2.070 226 HB3 LEU 24 HB3 LEU 24 1.022 14.511 0.878 227 HG LEU 24 HG LEU 24 2.605 16.404 0.628 228 HD11 LEU 24 HD11 LEU 24 2.183 17.805 3.015 229 HD12 LEU 24 HD12 LEU 24 0.618 17.744 2.204 230 HD13 LEU 24 HD13 LEU 24 2.021 18.409 1.367 231 HD21 LEU 24 HD21 LEU 24 2.244 14.754 3.016 232 HD22 LEU 24 HD22 LEU 24 3.267 16.168 3.264 233 HD23 LEU 24 HD23 LEU 24 3.670 14.998 2.007 234 HA PRO 25 HA PRO 25 -2.158 13.856 -2.800 235 HB2 PRO 25 HB2 PRO 25 -1.906 15.096 -5.200 236 HB3 PRO 25 HB3 PRO 25 -3.152 15.533 -4.026 237 HG2 PRO 25 HG2 PRO 25 -0.521 16.854 -4.581 238 HG3 PRO 25 HG3 PRO 25 -2.110 17.595 -4.303 239 HD2 PRO 25 HD2 PRO 25 -0.213 17.441 -2.375 240 HD3 PRO 25 HD3 PRO 25 -1.950 17.377 -2.014 241 H SER 26 H SER 26 0.960 15.347 -3.393 242 HA SER 26 HA SER 26 1.823 13.259 -5.198 243 HB2 SER 26 HB2 SER 26 2.572 15.660 -5.389 244 HB3 SER 26 HB3 SER 26 3.508 15.418 -3.914 245 HG SER 26 HG SER 26 4.577 13.680 -5.047 246 H SER 27 H SER 27 2.218 14.137 -1.823 247 HA SER 27 HA SER 27 4.340 12.426 -1.170 248 HB2 SER 27 HB2 SER 27 3.090 14.280 0.233 249 HB3 SER 27 HB3 SER 27 2.132 12.910 0.793 250 HG SER 27 HG SER 27 3.786 12.955 2.186 251 H LEU 28 H LEU 28 0.831 11.899 -1.058 252 HA LEU 28 HA LEU 28 0.669 9.408 0.044 253 HB2 LEU 28 HB2 LEU 28 -1.111 11.024 -1.110 254 HB3 LEU 28 HB3 LEU 28 -0.942 9.861 -2.411 255 HG LEU 28 HG LEU 28 -1.924 9.365 0.391 256 HD11 LEU 28 HD11 LEU 28 -3.975 9.013 -0.534 257 HD12 LEU 28 HD12 LEU 28 -3.313 8.463 -2.072 258 HD13 LEU 28 HD13 LEU 28 -3.339 10.184 -1.689 259 HD21 LEU 28 HD21 LEU 28 -0.537 7.504 0.000 260 HD22 LEU 28 HD22 LEU 28 -1.015 7.401 -1.695 261 HD23 LEU 28 HD23 LEU 28 -2.162 6.969 -0.429 262 H GLU 29 H GLU 29 1.830 10.229 -3.151 263 HA GLU 29 HA GLU 29 1.720 7.737 -4.389 264 HB2 GLU 29 HB2 GLU 29 3.759 9.948 -4.692 265 HB3 GLU 29 HB3 GLU 29 3.634 8.566 -5.770 266 HG2 GLU 29 HG2 GLU 29 1.064 9.593 -5.689 267 HG3 GLU 29 HG3 GLU 29 2.104 11.017 -5.712 268 H ILE 30 H ILE 30 3.930 8.987 -1.994 269 HA ILE 30 HA ILE 30 5.839 6.852 -2.295 270 HB ILE 30 HB ILE 30 5.570 8.801 -0.005 271 HG12 ILE 30 HG12 ILE 30 7.649 9.219 -2.063 272 HG13 ILE 30 HG13 ILE 30 5.998 9.523 -2.591 273 HG21 ILE 30 HG21 ILE 30 8.207 7.772 -0.766 274 HG22 ILE 30 HG22 ILE 30 7.096 6.556 -0.137 275 HG23 ILE 30 HG23 ILE 30 7.485 7.979 0.828 276 HD11 ILE 30 HD11 ILE 30 6.244 10.775 -0.103 277 HD12 ILE 30 HD12 ILE 30 6.154 11.534 -1.691 278 HD13 ILE 30 HD13 ILE 30 7.723 11.146 -0.988 279 H PHE 31 H PHE 31 3.252 7.689 -0.027 280 HA PHE 31 HA PHE 31 3.700 5.497 1.725 281 HB2 PHE 31 HB2 PHE 31 1.174 7.109 1.300 282 HB3 PHE 31 HB3 PHE 31 1.518 6.070 2.678 283 HD1 PHE 31 HD1 PHE 31 4.248 6.743 3.369 284 HD2 PHE 31 HD2 PHE 31 1.075 9.271 2.084 285 HE1 PHE 31 HE1 PHE 31 5.290 8.640 4.541 286 HE2 PHE 31 HE2 PHE 31 2.111 11.173 3.252 287 HZ PHE 31 HZ PHE 31 4.221 10.858 4.483 288 H GLU 32 H GLU 32 1.612 6.006 -1.074 289 HA GLU 32 HA GLU 32 0.077 3.674 -0.869 290 HB2 GLU 32 HB2 GLU 32 -0.476 5.514 -2.395 291 HB3 GLU 32 HB3 GLU 32 0.950 5.152 -3.359 292 HG2 GLU 32 HG2 GLU 32 -0.460 2.750 -3.197 293 HG3 GLU 32 HG3 GLU 32 -1.678 3.996 -3.467 294 H GLU 33 H GLU 33 3.193 4.271 -2.435 295 HA GLU 33 HA GLU 33 3.418 1.588 -3.433 296 HB2 GLU 33 HB2 GLU 33 5.507 3.758 -3.163 297 HB3 GLU 33 HB3 GLU 33 5.710 2.256 -4.053 298 HG2 GLU 33 HG2 GLU 33 3.364 3.840 -4.824 299 HG3 GLU 33 HG3 GLU 33 4.921 4.603 -5.142 300 H LEU 34 H LEU 34 4.160 3.202 -0.479 301 HA LEU 34 HA LEU 34 6.195 1.442 0.440 302 HB2 LEU 34 HB2 LEU 34 5.276 3.836 1.273 303 HB3 LEU 34 HB3 LEU 34 4.463 2.791 2.421 304 HG LEU 34 HG LEU 34 7.446 2.862 1.965 305 HD11 LEU 34 HD11 LEU 34 5.863 3.926 4.298 306 HD12 LEU 34 HD12 LEU 34 6.511 4.922 2.995 307 HD13 LEU 34 HD13 LEU 34 7.607 4.030 4.051 308 HD21 LEU 34 HD21 LEU 34 5.761 1.422 4.010 309 HD22 LEU 34 HD22 LEU 34 7.523 1.512 4.024 310 HD23 LEU 34 HD23 LEU 34 6.692 0.684 2.706 311 H TYR 35 H TYR 35 2.705 1.666 1.131 312 HA TYR 35 HA TYR 35 2.610 -0.565 2.840 313 HB2 TYR 35 HB2 TYR 35 0.292 -0.324 2.823 314 HB3 TYR 35 HB3 TYR 35 0.849 1.298 2.443 315 HD1 TYR 35 HD1 TYR 35 -0.363 -1.831 0.816 316 HD2 TYR 35 HD2 TYR 35 0.030 2.396 0.569 317 HE1 TYR 35 HE1 TYR 35 -1.761 -1.827 -1.207 318 HE2 TYR 35 HE2 TYR 35 -1.369 2.414 -1.453 319 HH TYR 35 HH TYR 35 -3.315 0.606 -2.361 320 H LYS 36 H LYS 36 2.261 -0.261 -0.650 321 HA LYS 36 HA LYS 36 1.526 -3.001 -1.047 322 HB2 LYS 36 HB2 LYS 36 1.346 -0.752 -2.576 323 HB3 LYS 36 HB3 LYS 36 2.728 -1.549 -3.314 324 HG2 LYS 36 HG2 LYS 36 1.465 -3.142 -4.245 325 HG3 LYS 36 HG3 LYS 36 0.461 -3.325 -2.805 326 HD2 LYS 36 HD2 LYS 36 -0.939 -1.538 -3.425 327 HD3 LYS 36 HD3 LYS 36 0.211 -0.948 -4.627 328 HE2 LYS 36 HE2 LYS 36 -0.526 -3.666 -5.205 329 HE3 LYS 36 HE3 LYS 36 -1.971 -2.668 -5.031 330 HZ1 LYS 36 HZ1 LYS 36 -1.490 -1.495 -6.875 331 HZ2 LYS 36 HZ2 LYS 36 -0.601 -2.873 -7.293 332 HZ3 LYS 36 HZ3 LYS 36 0.181 -1.533 -6.619 333 H TYR 37 H TYR 37 4.508 -1.184 -0.970 334 HA TYR 37 HA TYR 37 6.155 -3.155 -2.180 335 HB2 TYR 37 HB2 TYR 37 6.946 -0.896 -2.120 336 HB3 TYR 37 HB3 TYR 37 6.769 -0.815 -0.373 337 HD1 TYR 37 HD1 TYR 37 8.299 -2.241 1.059 338 HD2 TYR 37 HD2 TYR 37 8.963 -1.620 -3.097 339 HE1 TYR 37 HE1 TYR 37 10.643 -2.932 1.337 340 HE2 TYR 37 HE2 TYR 37 11.309 -2.308 -2.831 341 HH TYR 37 HH TYR 37 12.790 -2.652 0.219 342 H ALA 38 H ALA 38 5.369 -2.368 1.184 343 HA ALA 38 HA ALA 38 7.085 -4.297 2.346 344 HB1 ALA 38 HB1 ALA 38 5.491 -3.964 4.348 345 HB2 ALA 38 HB2 ALA 38 4.754 -2.710 3.349 346 HB3 ALA 38 HB3 ALA 38 6.457 -2.598 3.793 347 H LEU 39 H LEU 39 4.163 -4.637 0.656 348 HA LEU 39 HA LEU 39 3.175 -6.939 2.052 349 HB2 LEU 39 HB2 LEU 39 2.343 -5.262 -0.162 350 HB3 LEU 39 HB3 LEU 39 2.096 -6.960 -0.523 351 HG LEU 39 HG LEU 39 1.049 -6.813 1.985 352 HD11 LEU 39 HD11 LEU 39 0.713 -4.137 0.675 353 HD12 LEU 39 HD12 LEU 39 1.185 -4.509 2.333 354 HD13 LEU 39 HD13 LEU 39 -0.479 -4.769 1.811 355 HD21 LEU 39 HD21 LEU 39 -0.304 -7.898 0.530 356 HD22 LEU 39 HD22 LEU 39 -0.032 -6.730 -0.765 357 HD23 LEU 39 HD23 LEU 39 -1.155 -6.352 0.541 358 H ASN 40 H ASN 40 5.376 -6.356 -0.581 359 HA ASN 40 HA ASN 40 5.364 -9.078 -1.516 360 HB2 ASN 40 HB2 ASN 40 6.152 -6.663 -2.601 361 HB3 ASN 40 HB3 ASN 40 7.686 -7.461 -2.266 362 HD21 ASN 40 HD21 ASN 40 7.467 -9.953 -2.841 363 HD22 ASN 40 HD22 ASN 40 6.905 -10.240 -4.448 364 H GLU 41 H GLU 41 7.229 -7.162 0.731 365 HA GLU 41 HA GLU 41 9.490 -8.815 0.938 366 HB2 GLU 41 HB2 GLU 41 9.982 -7.654 2.978 367 HB3 GLU 41 HB3 GLU 41 9.308 -6.497 1.841 368 HG2 GLU 41 HG2 GLU 41 7.723 -5.946 3.276 369 HG3 GLU 41 HG3 GLU 41 7.193 -7.624 3.391 370 H ASN 42 H ASN 42 6.273 -9.317 1.974 371 HA ASN 42 HA ASN 42 6.499 -10.813 4.272 372 HB2 ASN 42 HB2 ASN 42 4.424 -11.940 3.583 373 HB3 ASN 42 HB3 ASN 42 4.346 -10.207 3.284 374 HD21 ASN 42 HD21 ASN 42 2.559 -11.606 1.989 375 HD22 ASN 42 HD22 ASN 42 2.958 -11.800 0.322 376 H SER 43 H SER 43 7.452 -11.665 1.045 377 HA SER 43 HA SER 43 8.562 -13.456 0.192 378 HB2 SER 43 HB2 SER 43 9.206 -13.565 3.087 379 HB3 SER 43 HB3 SER 43 9.515 -15.032 2.160 380 HG SER 43 HG SER 43 11.273 -13.447 2.263 381 H ASN 44 H ASN 44 8.486 -15.844 -0.023 382 HA ASN 44 HA ASN 44 6.454 -17.330 1.317 383 HB2 ASN 44 HB2 ASN 44 5.333 -15.731 -0.496 384 HB3 ASN 44 HB3 ASN 44 5.813 -17.034 -1.578 385 HD21 ASN 44 HD21 ASN 44 3.155 -16.151 -0.823 386 HD22 ASN 44 HD22 ASN 44 2.369 -17.522 -0.124 387 H ASP 45 H ASP 45 9.215 -17.666 0.770 388 HA ASP 45 HA ASP 45 9.138 -20.308 -0.363 389 HB2 ASP 45 HB2 ASP 45 11.203 -19.555 -1.877 390 HB3 ASP 45 HB3 ASP 45 9.545 -19.511 -2.466 391 H ARG 46 H ARG 46 11.752 -17.912 0.000 392 HA ARG 46 HA ARG 46 12.962 -19.696 2.008 393 HB2 ARG 46 HB2 ARG 46 14.265 -19.634 -0.054 394 HB3 ARG 46 HB3 ARG 46 14.321 -17.878 0.009 395 HG2 ARG 46 HG2 ARG 46 16.292 -18.159 1.005 396 HG3 ARG 46 HG3 ARG 46 15.353 -18.569 2.442 397 HD2 ARG 46 HD2 ARG 46 16.101 -20.646 0.408 398 HD3 ARG 46 HD3 ARG 46 17.208 -20.185 1.703 399 HE ARG 46 HE ARG 46 14.757 -20.766 2.880 400 HH11 ARG 46 HH11 ARG 46 17.226 -22.438 1.066 401 HH12 ARG 46 HH12 ARG 46 16.909 -23.971 1.809 402 HH21 ARG 46 HH21 ARG 46 14.341 -22.778 3.859 403 HH22 ARG 46 HH22 ARG 46 15.270 -24.163 3.395 404 H SER 47 H SER 47 12.297 -18.766 3.883 405 HA SER 47 HA SER 47 13.220 -16.020 4.372 406 HB2 SER 47 HB2 SER 47 11.179 -15.667 5.793 407 HB3 SER 47 HB3 SER 47 10.836 -15.825 4.070 408 HG SER 47 HG SER 47 10.711 -18.011 5.864 409 H GLU 48 H GLU 48 14.773 -16.169 5.842 410 HA GLU 48 HA GLU 48 14.821 -18.343 7.753 411 HB2 GLU 48 HB2 GLU 48 16.780 -16.913 6.465 412 HB3 GLU 48 HB3 GLU 48 16.811 -16.206 8.074 413 HG2 GLU 48 HG2 GLU 48 17.726 -18.025 8.988 414 HG3 GLU 48 HG3 GLU 48 16.713 -19.127 8.056 415 H HIS 49 H HIS 49 12.622 -17.176 8.429 416 HA HIS 49 HA HIS 49 13.107 -15.093 10.410 417 HB2 HIS 49 HB2 HIS 49 11.098 -15.287 8.698 418 HB3 HIS 49 HB3 HIS 49 10.408 -16.290 9.968 419 HD1 HIS 49 HD1 HIS 49 10.847 -14.889 12.483 420 HD2 HIS 49 HD2 HIS 49 10.146 -12.785 8.969 421 HE1 HIS 49 HE1 HIS 49 10.018 -12.627 13.206 422 HE2 HIS 49 HE2 HIS 49 9.683 -11.342 11.065 423 H HIS 50 H HIS 50 14.012 -15.963 12.199 424 HA HIS 50 HA HIS 50 12.392 -17.896 13.681 425 HB2 HIS 50 HB2 HIS 50 14.351 -19.230 14.281 426 HB3 HIS 50 HB3 HIS 50 14.130 -19.210 12.535 427 HD1 HIS 50 HD1 HIS 50 16.694 -18.918 14.969 428 HD2 HIS 50 HD2 HIS 50 15.887 -17.030 11.356 429 HE1 HIS 50 HE1 HIS 50 18.879 -17.912 14.232 430 HE2 HIS 50 HE2 HIS 50 18.388 -16.858 11.998 431 H LYS 51 H LYS 51 12.757 -17.875 15.963 432 HA LYS 51 HA LYS 51 13.126 -15.322 17.048 433 HB2 LYS 51 HB2 LYS 51 13.299 -17.994 18.454 434 HB3 LYS 51 HB3 LYS 51 13.068 -16.436 19.238 435 HG2 LYS 51 HG2 LYS 51 11.147 -17.504 17.193 436 HG3 LYS 51 HG3 LYS 51 11.010 -17.874 18.914 437 HD2 LYS 51 HD2 LYS 51 11.105 -15.327 19.258 438 HD3 LYS 51 HD3 LYS 51 10.755 -15.222 17.531 439 HE2 LYS 51 HE2 LYS 51 8.773 -16.734 17.985 440 HE3 LYS 51 HE3 LYS 51 9.069 -16.449 19.700 441 HZ1 LYS 51 HZ1 LYS 51 8.694 -14.124 19.393 442 HZ2 LYS 51 HZ2 LYS 51 7.387 -14.954 18.708 443 HZ3 LYS 51 HZ3 LYS 51 8.588 -14.296 17.714 444 H LYS 52 H LYS 52 14.759 -14.543 18.500 445 HA LYS 52 HA LYS 52 17.422 -15.657 17.911 446 HB2 LYS 52 HB2 LYS 52 16.462 -12.834 18.258 447 HB3 LYS 52 HB3 LYS 52 18.149 -13.242 18.545 448 HG2 LYS 52 HG2 LYS 52 18.151 -14.249 16.219 449 HG3 LYS 52 HG3 LYS 52 16.595 -13.451 15.986 450 HD2 LYS 52 HD2 LYS 52 18.126 -11.426 16.997 451 HD3 LYS 52 HD3 LYS 52 19.303 -12.331 16.044 452 HE2 LYS 52 HE2 LYS 52 18.368 -11.727 14.093 453 HE3 LYS 52 HE3 LYS 52 16.727 -11.914 14.709 454 HZ1 LYS 52 HZ1 LYS 52 17.111 -9.767 15.923 455 HZ2 LYS 52 HZ2 LYS 52 17.018 -9.640 14.238 456 HZ3 LYS 52 HZ3 LYS 52 18.521 -9.576 15.008 457 HA PRO 53 HA PRO 53 16.968 -16.411 22.405 458 HB2 PRO 53 HB2 PRO 53 19.225 -18.234 21.881 459 HB3 PRO 53 HB3 PRO 53 17.657 -18.573 22.616 460 HG2 PRO 53 HG2 PRO 53 18.271 -19.446 20.157 461 HG3 PRO 53 HG3 PRO 53 16.628 -18.927 20.578 462 HD2 PRO 53 HD2 PRO 53 18.756 -17.448 19.075 463 HD3 PRO 53 HD3 PRO 53 17.013 -17.552 18.749 464 H ARG 54 H ARG 54 17.968 -14.091 22.137 465 HA ARG 54 HA ARG 54 20.442 -14.123 23.640 466 HB2 ARG 54 HB2 ARG 54 21.550 -12.495 22.116 467 HB3 ARG 54 HB3 ARG 54 21.343 -14.091 21.408 468 HG2 ARG 54 HG2 ARG 54 20.554 -12.973 19.644 469 HG3 ARG 54 HG3 ARG 54 19.069 -12.848 20.590 470 HD2 ARG 54 HD2 ARG 54 19.385 -10.648 21.048 471 HD3 ARG 54 HD3 ARG 54 21.141 -10.797 21.091 472 HE ARG 54 HE ARG 54 19.509 -10.138 18.818 473 HH11 ARG 54 HH11 ARG 54 22.574 -11.443 19.857 474 HH12 ARG 54 HH12 ARG 54 23.384 -11.052 18.377 475 HH21 ARG 54 HH21 ARG 54 20.574 -9.623 16.871 476 HH22 ARG 54 HH22 ARG 54 22.249 -10.018 16.682 477 H ILE 55 H ILE 55 20.246 -12.698 25.229 478 HA ILE 55 HA ILE 55 18.645 -10.274 24.771 479 HB ILE 55 HB ILE 55 18.631 -11.817 27.360 480 HG12 ILE 55 HG12 ILE 55 17.559 -13.138 25.578 481 HG13 ILE 55 HG13 ILE 55 16.380 -12.567 26.755 482 HG21 ILE 55 HG21 ILE 55 17.480 -9.273 26.421 483 HG22 ILE 55 HG22 ILE 55 17.953 -9.778 28.043 484 HG23 ILE 55 HG23 ILE 55 16.407 -10.299 27.374 485 HD11 ILE 55 HD11 ILE 55 16.410 -10.582 24.836 486 HD12 ILE 55 HD12 ILE 55 15.199 -11.849 25.023 487 HD13 ILE 55 HD13 ILE 55 16.550 -12.078 23.912 488 H ASP 56 H ASP 56 21.094 -11.842 26.779 489 HA ASP 56 HA ASP 56 22.180 -9.181 27.422 490 HB2 ASP 56 HB2 ASP 56 21.439 -11.119 29.189 491 HB3 ASP 56 HB3 ASP 56 23.149 -11.489 28.986 492 H ASP 57 H ASP 57 23.374 -12.531 27.105 493 HA ASP 57 HA ASP 57 25.772 -11.451 25.783 494 HB2 ASP 57 HB2 ASP 57 25.320 -13.943 27.419 495 HB3 ASP 57 HB3 ASP 57 26.733 -13.755 26.383 496 H SER 58 H SER 58 26.801 -13.415 24.410 497 HA SER 58 HA SER 58 24.678 -14.252 22.547 498 HB2 SER 58 HB2 SER 58 27.526 -13.393 22.056 499 HB3 SER 58 HB3 SER 58 26.611 -14.304 20.854 500 HG SER 58 HG SER 58 26.357 -11.674 21.660 501 H SER 59 H SER 59 24.738 -16.322 21.672 502 HA SER 59 HA SER 59 26.837 -18.162 22.424 503 HB2 SER 59 HB2 SER 59 25.121 -18.010 24.360 504 HB3 SER 59 HB3 SER 59 24.051 -18.903 23.280 505 HG SER 59 HG SER 59 26.603 -19.713 24.217 506 H ASP 60 H ASP 60 25.790 -17.147 19.951 507 HA ASP 60 HA ASP 60 24.919 -19.686 18.751 508 HB2 ASP 60 HB2 ASP 60 23.068 -17.912 18.988 509 HB3 ASP 60 HB3 ASP 60 23.934 -17.025 17.737 510 H LEU 61 H LEU 61 27.144 -20.000 18.218 511 HA LEU 61 HA LEU 61 28.452 -18.101 16.475 512 HB2 LEU 61 HB2 LEU 61 29.347 -19.999 18.248 513 HB3 LEU 61 HB3 LEU 61 29.635 -20.772 16.701 514 HG LEU 61 HG LEU 61 30.618 -18.191 16.357 515 HD11 LEU 61 HD11 LEU 61 32.010 -19.067 18.794 516 HD12 LEU 61 HD12 LEU 61 30.399 -18.393 19.037 517 HD13 LEU 61 HD13 LEU 61 31.637 -17.444 18.216 518 HD21 LEU 61 HD21 LEU 61 31.888 -19.782 15.355 519 HD22 LEU 61 HD22 LEU 61 31.729 -20.914 16.699 520 HD23 LEU 61 HD23 LEU 61 32.857 -19.563 16.813 521 H LEU 62 H LEU 62 29.782 -19.649 14.670 522 HA LEU 62 HA LEU 62 27.596 -20.615 12.952 523 HB2 LEU 62 HB2 LEU 62 29.805 -18.831 12.493 524 HB3 LEU 62 HB3 LEU 62 29.920 -20.203 11.408 525 HG LEU 62 HG LEU 62 27.372 -18.630 11.678 526 HD11 LEU 62 HD11 LEU 62 28.296 -17.621 9.435 527 HD12 LEU 62 HD12 LEU 62 29.856 -17.949 10.189 528 HD13 LEU 62 HD13 LEU 62 28.693 -16.895 10.991 529 HD21 LEU 62 HD21 LEU 62 26.640 -19.816 9.901 530 HD22 LEU 62 HD22 LEU 62 27.826 -20.988 10.472 531 HD23 LEU 62 HD23 LEU 62 28.236 -19.889 9.154 532 H LYS 63 H LYS 63 27.643 -22.636 12.140 533 HA LYS 63 HA LYS 63 30.103 -24.203 12.308 534 HB2 LYS 63 HB2 LYS 63 28.992 -26.068 13.418 535 HB3 LYS 63 HB3 LYS 63 28.926 -24.626 14.422 536 HG2 LYS 63 HG2 LYS 63 26.622 -24.241 13.756 537 HG3 LYS 63 HG3 LYS 63 26.681 -25.651 12.697 538 HD2 LYS 63 HD2 LYS 63 27.178 -27.049 14.696 539 HD3 LYS 63 HD3 LYS 63 26.934 -25.621 15.703 540 HE2 LYS 63 HE2 LYS 63 24.879 -26.816 13.847 541 HE3 LYS 63 HE3 LYS 63 24.935 -27.063 15.592 542 HZ1 LYS 63 HZ1 LYS 63 24.077 -24.737 14.075 543 HZ2 LYS 63 HZ2 LYS 63 24.954 -24.414 15.485 544 HZ3 LYS 63 HZ3 LYS 63 23.529 -25.321 15.565 545 H THR 64 H THR 64 28.567 -23.067 10.121 546 HA THR 64 HA THR 64 27.440 -25.451 8.839 547 HB THR 64 HB THR 64 27.380 -22.691 7.656 548 HG1 THR 64 HG1 THR 64 25.663 -23.726 9.658 549 HG21 THR 64 HG21 THR 64 24.977 -24.287 7.507 550 HG22 THR 64 HG22 THR 64 26.366 -25.109 6.798 551 HG23 THR 64 HG23 THR 64 25.903 -23.507 6.224 552 H ASP 65 H ASP 65 29.445 -22.674 7.828 553 HA ASP 65 HA ASP 65 31.555 -24.282 6.843 554 HB2 ASP 65 HB2 ASP 65 31.247 -23.896 4.430 555 HB3 ASP 65 HB3 ASP 65 29.939 -24.862 5.102 556 H GLU 66 H GLU 66 33.271 -23.028 7.091 557 HA GLU 66 HA GLU 66 32.956 -20.129 7.046 558 HB2 GLU 66 HB2 GLU 66 34.924 -22.031 8.201 559 HB3 GLU 66 HB3 GLU 66 35.525 -20.444 7.739 560 HG2 GLU 66 HG2 GLU 66 34.955 -20.089 9.924 561 HG3 GLU 66 HG3 GLU 66 33.479 -19.583 9.102 562 H ILE 67 H ILE 67 33.677 -18.859 5.456 563 HA ILE 67 HA ILE 67 35.554 -19.994 3.493 564 HB ILE 67 HB ILE 67 33.224 -18.220 2.770 565 HG12 ILE 67 HG12 ILE 67 33.438 -21.129 2.050 566 HG13 ILE 67 HG13 ILE 67 32.729 -20.642 3.587 567 HG21 ILE 67 HG21 ILE 67 33.979 -19.435 0.488 568 HG22 ILE 67 HG22 ILE 67 35.530 -19.335 1.319 569 HG23 ILE 67 HG23 ILE 67 34.596 -17.871 1.017 570 HD11 ILE 67 HD11 ILE 67 31.627 -19.155 1.363 571 HD12 ILE 67 HD12 ILE 67 30.814 -20.082 2.623 572 HD13 ILE 67 HD13 ILE 67 31.417 -20.897 1.180 573 H1 GLY 68 H1 GLY 68 3.948 8.676 23.143 574 H2 GLY 68 H2 GLY 68 2.295 8.316 23.087 575 H3 GLY 68 H3 GLY 68 3.419 7.233 22.437 576 HA2 GLY 68 HA2 GLY 68 2.770 7.777 25.250 577 HA3 GLY 68 HA3 GLY 68 2.946 6.230 24.434 578 H HIS 69 H HIS 69 4.448 8.554 26.379 579 HA HIS 69 HA HIS 69 6.490 8.679 27.368 580 HB2 HIS 69 HB2 HIS 69 6.773 5.837 26.369 581 HB3 HIS 69 HB3 HIS 69 7.794 6.601 27.583 582 HD1 HIS 69 HD1 HIS 69 4.504 7.749 28.264 583 HD2 HIS 69 HD2 HIS 69 6.543 4.195 28.948 584 HE1 HIS 69 HE1 HIS 69 3.226 6.581 30.087 585 HE2 HIS 69 HE2 HIS 69 4.529 4.474 30.545 586 H MET 70 H MET 70 7.856 10.050 26.471 587 HA MET 70 HA MET 70 9.075 11.104 24.828 588 HB2 MET 70 HB2 MET 70 11.160 9.566 24.316 589 HB3 MET 70 HB3 MET 70 10.920 10.297 25.895 590 HG2 MET 70 HG2 MET 70 9.763 7.608 25.470 591 HG3 MET 70 HG3 MET 70 11.517 7.730 25.556 592 HE1 MET 70 HE1 MET 70 12.325 7.205 28.722 593 HE2 MET 70 HE2 MET 70 12.578 8.945 28.567 594 HE3 MET 70 HE3 MET 70 12.798 7.895 27.168 595 H MET 71 H MET 71 9.945 7.963 23.501 596 HA MET 71 HA MET 71 9.719 7.075 21.422 597 HB2 MET 71 HB2 MET 71 7.261 7.317 22.113 598 HB3 MET 71 HB3 MET 71 7.234 8.741 21.081 599 HG2 MET 71 HG2 MET 71 6.574 7.281 19.519 600 HG3 MET 71 HG3 MET 71 8.300 6.948 19.384 601 HE1 MET 71 HE1 MET 71 5.775 5.692 22.365 602 HE2 MET 71 HE2 MET 71 5.117 4.357 21.419 603 HE3 MET 71 HE3 MET 71 4.943 6.014 20.843 604 H SER 72 H SER 72 11.625 8.383 20.913 605 HA SER 72 HA SER 72 11.032 10.616 19.090 606 HB2 SER 72 HB2 SER 72 12.551 10.949 21.148 607 HB3 SER 72 HB3 SER 72 13.749 10.019 20.248 608 HG SER 72 HG SER 72 12.557 12.488 19.533 609 H LYS 73 H LYS 73 10.813 9.757 17.105 610 HA LYS 73 HA LYS 73 11.352 8.762 15.133 611 HB2 LYS 73 HB2 LYS 73 13.619 10.009 15.929 612 HB3 LYS 73 HB3 LYS 73 14.196 8.351 15.832 613 HG2 LYS 73 HG2 LYS 73 14.104 8.311 13.589 614 HG3 LYS 73 HG3 LYS 73 12.617 9.258 13.528 615 HD2 LYS 73 HD2 LYS 73 13.810 11.298 13.815 616 HD3 LYS 73 HD3 LYS 73 15.303 10.441 14.203 617 HE2 LYS 73 HE2 LYS 73 14.796 9.402 11.780 618 HE3 LYS 73 HE3 LYS 73 14.041 10.984 11.586 619 HZ1 LYS 73 HZ1 LYS 73 16.268 11.825 12.563 620 HZ2 LYS 73 HZ2 LYS 73 16.192 11.383 10.932 621 HZ3 LYS 73 HZ3 LYS 73 16.868 10.326 12.065 622 H LEU 74 H LEU 74 10.520 6.790 14.927 623 HA LEU 74 HA LEU 74 12.114 4.488 15.573 624 HB2 LEU 74 HB2 LEU 74 9.923 5.331 17.316 625 HB3 LEU 74 HB3 LEU 74 9.752 3.681 16.748 626 HG LEU 74 HG LEU 74 12.303 4.649 18.011 627 HD11 LEU 74 HD11 LEU 74 11.163 3.260 19.996 628 HD12 LEU 74 HD12 LEU 74 9.722 3.987 19.284 629 HD13 LEU 74 HD13 LEU 74 11.040 5.014 19.848 630 HD21 LEU 74 HD21 LEU 74 12.947 2.482 17.999 631 HD22 LEU 74 HD22 LEU 74 11.813 2.389 16.652 632 HD23 LEU 74 HD23 LEU 74 11.309 1.881 18.264 633 H PHE 75 H PHE 75 10.872 5.776 13.245 634 HA PHE 75 HA PHE 75 9.301 3.473 12.303 635 HB2 PHE 75 HB2 PHE 75 7.777 5.351 12.675 636 HB3 PHE 75 HB3 PHE 75 8.782 6.385 11.666 637 HD1 PHE 75 HD1 PHE 75 6.955 3.137 11.488 638 HD2 PHE 75 HD2 PHE 75 8.175 6.684 9.474 639 HE1 PHE 75 HE1 PHE 75 5.663 2.453 9.509 640 HE2 PHE 75 HE2 PHE 75 6.884 6.005 7.491 641 HZ PHE 75 HZ PHE 75 5.627 3.887 7.507 642 H LEU 76 H LEU 76 11.330 6.232 11.389 643 HA LEU 76 HA LEU 76 11.855 5.086 8.777 644 HB2 LEU 76 HB2 LEU 76 12.857 7.593 10.119 645 HB3 LEU 76 HB3 LEU 76 13.301 7.106 8.493 646 HG LEU 76 HG LEU 76 10.618 7.053 8.254 647 HD11 LEU 76 HD11 LEU 76 10.842 9.541 9.817 648 HD12 LEU 76 HD12 LEU 76 10.787 8.044 10.747 649 HD13 LEU 76 HD13 LEU 76 9.483 8.434 9.627 650 HD21 LEU 76 HD21 LEU 76 10.993 9.586 7.573 651 HD22 LEU 76 HD22 LEU 76 11.673 8.256 6.635 652 HD23 LEU 76 HD23 LEU 76 12.685 9.132 7.784 653 H ASP 77 H ASP 77 12.908 4.172 11.643 654 HA ASP 77 HA ASP 77 15.747 4.008 10.947 655 HB2 ASP 77 HB2 ASP 77 14.395 4.396 13.383 656 HB3 ASP 77 HB3 ASP 77 15.081 2.776 13.474 657 H GLU 78 H GLU 78 12.878 2.074 11.378 658 HA GLU 78 HA GLU 78 14.363 -0.415 11.084 659 HB2 GLU 78 HB2 GLU 78 11.403 0.093 11.436 660 HB3 GLU 78 HB3 GLU 78 12.159 -1.495 11.395 661 HG2 GLU 78 HG2 GLU 78 13.412 -0.972 13.407 662 HG3 GLU 78 HG3 GLU 78 12.712 0.645 13.438 663 H LEU 79 H LEU 79 11.610 1.171 9.460 664 HA LEU 79 HA LEU 79 11.469 -0.514 7.253 665 HB2 LEU 79 HB2 LEU 79 10.076 1.087 6.267 666 HB3 LEU 79 HB3 LEU 79 9.857 1.324 7.988 667 HG LEU 79 HG LEU 79 11.765 3.144 7.603 668 HD11 LEU 79 HD11 LEU 79 10.503 2.722 4.918 669 HD12 LEU 79 HD12 LEU 79 12.208 2.916 5.328 670 HD13 LEU 79 HD13 LEU 79 11.120 4.302 5.403 671 HD21 LEU 79 HD21 LEU 79 9.050 3.957 6.706 672 HD22 LEU 79 HD22 LEU 79 10.124 4.709 7.884 673 HD23 LEU 79 HD23 LEU 79 9.226 3.254 8.311 674 HA PRO 80 HA PRO 80 14.674 0.226 4.320 675 HB2 PRO 80 HB2 PRO 80 12.794 1.862 2.665 676 HB3 PRO 80 HB3 PRO 80 13.876 0.552 2.172 677 HG2 PRO 80 HG2 PRO 80 11.275 0.101 2.451 678 HG3 PRO 80 HG3 PRO 80 12.462 -1.101 2.995 679 HD2 PRO 80 HD2 PRO 80 10.798 0.779 4.596 680 HD3 PRO 80 HD3 PRO 80 11.351 -0.859 4.996 681 H GLU 81 H GLU 81 15.902 1.576 5.678 682 HA GLU 81 HA GLU 81 15.528 4.282 6.148 683 HB2 GLU 81 HB2 GLU 81 17.172 2.823 7.312 684 HB3 GLU 81 HB3 GLU 81 18.182 2.861 5.872 685 HG2 GLU 81 HG2 GLU 81 18.342 5.320 6.105 686 HG3 GLU 81 HG3 GLU 81 17.441 5.198 7.617 687 H SER 82 H SER 82 16.763 2.675 3.319 688 HA SER 82 HA SER 82 18.167 4.757 2.108 689 HB2 SER 82 HB2 SER 82 16.460 2.787 0.587 690 HB3 SER 82 HB3 SER 82 17.966 3.545 0.073 691 HG SER 82 HG SER 82 19.040 2.338 1.683 692 H LEU 83 H LEU 83 14.713 3.989 2.033 693 HA LEU 83 HA LEU 83 14.096 6.206 0.302 694 HB2 LEU 83 HB2 LEU 83 12.174 4.567 1.945 695 HB3 LEU 83 HB3 LEU 83 11.805 5.537 0.531 696 HG LEU 83 HG LEU 83 13.597 3.115 0.433 697 HD11 LEU 83 HD11 LEU 83 11.517 2.256 1.137 698 HD12 LEU 83 HD12 LEU 83 11.569 2.022 -0.610 699 HD13 LEU 83 HD13 LEU 83 10.622 3.343 0.075 700 HD21 LEU 83 HD21 LEU 83 13.812 4.786 -1.380 701 HD22 LEU 83 HD22 LEU 83 12.097 4.571 -1.739 702 HD23 LEU 83 HD23 LEU 83 13.217 3.223 -1.942 703 H SER 84 H SER 84 14.221 5.600 3.723 704 HA SER 84 HA SER 84 12.570 7.519 4.782 705 HB2 SER 84 HB2 SER 84 15.303 6.644 5.736 706 HB3 SER 84 HB3 SER 84 14.193 7.621 6.694 707 HG SER 84 HG SER 84 12.704 5.912 6.608 708 H ARG 85 H ARG 85 15.574 7.973 3.094 709 HA ARG 85 HA ARG 85 16.242 10.545 3.981 710 HB2 ARG 85 HB2 ARG 85 17.174 8.722 2.033 711 HB3 ARG 85 HB3 ARG 85 16.881 10.240 1.195 712 HG2 ARG 85 HG2 ARG 85 19.080 10.440 1.861 713 HG3 ARG 85 HG3 ARG 85 18.216 11.301 3.136 714 HD2 ARG 85 HD2 ARG 85 18.231 8.749 4.099 715 HD3 ARG 85 HD3 ARG 85 19.777 8.821 3.253 716 HE ARG 85 HE ARG 85 19.133 10.075 5.713 717 HH11 ARG 85 HH11 ARG 85 20.963 10.544 2.780 718 HH12 ARG 85 HH12 ARG 85 22.124 11.592 3.524 719 HH21 ARG 85 HH21 ARG 85 20.657 11.454 6.692 720 HH22 ARG 85 HH22 ARG 85 21.950 12.110 5.744 721 H LYS 86 H LYS 86 14.315 9.530 1.165 722 HA LYS 86 HA LYS 86 13.596 12.245 0.525 723 HB2 LYS 86 HB2 LYS 86 12.356 9.721 -0.569 724 HB3 LYS 86 HB3 LYS 86 12.358 11.319 -1.303 725 HG2 LYS 86 HG2 LYS 86 14.383 11.037 -2.209 726 HG3 LYS 86 HG3 LYS 86 15.028 10.244 -0.770 727 HD2 LYS 86 HD2 LYS 86 14.847 8.266 -1.769 728 HD3 LYS 86 HD3 LYS 86 13.110 8.508 -1.955 729 HE2 LYS 86 HE2 LYS 86 13.715 8.259 -4.146 730 HE3 LYS 86 HE3 LYS 86 13.878 10.007 -3.981 731 HZ1 LYS 86 HZ1 LYS 86 16.122 8.092 -3.663 732 HZ2 LYS 86 HZ2 LYS 86 16.224 9.779 -3.706 733 HZ3 LYS 86 HZ3 LYS 86 15.782 8.922 -5.095 734 H ILE 87 H ILE 87 12.270 9.667 2.423 735 HA ILE 87 HA ILE 87 9.594 10.720 2.481 736 HB ILE 87 HB ILE 87 10.851 8.693 4.335 737 HG12 ILE 87 HG12 ILE 87 9.115 8.090 1.949 738 HG13 ILE 87 HG13 ILE 87 10.866 8.187 1.813 739 HG21 ILE 87 HG21 ILE 87 8.933 8.992 5.446 740 HG22 ILE 87 HG22 ILE 87 8.188 8.101 4.119 741 HG23 ILE 87 HG23 ILE 87 8.185 9.864 4.107 742 HD11 ILE 87 HD11 ILE 87 9.578 5.912 2.270 743 HD12 ILE 87 HD12 ILE 87 9.782 6.445 3.938 744 HD13 ILE 87 HD13 ILE 87 11.192 6.233 2.901 745 H GLY 88 H GLY 88 12.439 10.830 4.567 746 HA2 GLY 88 HA2 GLY 88 11.224 12.024 6.807 747 HA3 GLY 88 HA3 GLY 88 12.933 12.103 6.410 748 H THR 89 H THR 89 12.240 13.380 3.769 749 HA THR 89 HA THR 89 12.299 16.090 4.740 750 HB THR 89 HB THR 89 13.736 15.485 2.886 751 HG1 THR 89 HG1 THR 89 13.267 17.197 1.599 752 HG21 THR 89 HG21 THR 89 12.748 13.783 1.684 753 HG22 THR 89 HG22 THR 89 12.586 15.171 0.609 754 HG23 THR 89 HG23 THR 89 11.205 14.627 1.559 755 H VAL 90 H VAL 90 10.014 14.029 3.024 756 HA VAL 90 HA VAL 90 8.133 16.168 2.591 757 HB VAL 90 HB VAL 90 8.274 14.281 1.020 758 HG11 VAL 90 HG11 VAL 90 7.146 12.636 3.281 759 HG12 VAL 90 HG12 VAL 90 8.780 12.513 2.631 760 HG13 VAL 90 HG13 VAL 90 7.396 12.090 1.623 761 HG21 VAL 90 HG21 VAL 90 5.940 14.019 0.662 762 HG22 VAL 90 HG22 VAL 90 6.174 15.620 1.362 763 HG23 VAL 90 HG23 VAL 90 5.581 14.298 2.367 764 H VAL 91 H VAL 91 8.450 13.438 4.821 765 HA VAL 91 HA VAL 91 5.970 13.606 6.078 766 HB VAL 91 HB VAL 91 8.623 12.820 7.300 767 HG11 VAL 91 HG11 VAL 91 7.273 11.577 8.937 768 HG12 VAL 91 HG12 VAL 91 5.808 12.273 8.243 769 HG13 VAL 91 HG13 VAL 91 6.993 13.316 9.030 770 HG21 VAL 91 HG21 VAL 91 8.375 10.753 6.422 771 HG22 VAL 91 HG22 VAL 91 7.434 11.622 5.209 772 HG23 VAL 91 HG23 VAL 91 6.616 10.797 6.536 773 H ARG 92 H ARG 92 8.831 15.576 6.443 774 HA ARG 92 HA ARG 92 8.377 16.769 8.902 775 HB2 ARG 92 HB2 ARG 92 9.804 17.526 6.424 776 HB3 ARG 92 HB3 ARG 92 9.394 18.852 7.501 777 HG2 ARG 92 HG2 ARG 92 10.552 17.713 9.334 778 HG3 ARG 92 HG3 ARG 92 10.981 16.400 8.236 779 HD2 ARG 92 HD2 ARG 92 11.857 18.575 6.854 780 HD3 ARG 92 HD3 ARG 92 12.137 19.082 8.520 781 HE ARG 92 HE ARG 92 13.193 16.600 8.463 782 HH11 ARG 92 HH11 ARG 92 13.615 19.400 6.421 783 HH12 ARG 92 HH12 ARG 92 15.250 19.005 6.006 784 HH21 ARG 92 HH21 ARG 92 15.341 16.081 7.918 785 HH22 ARG 92 HH22 ARG 92 16.231 17.120 6.855 786 H VAL 93 H VAL 93 6.822 17.304 5.828 787 HA VAL 93 HA VAL 93 5.451 19.699 6.659 788 HB VAL 93 HB VAL 93 4.937 17.929 4.261 789 HG11 VAL 93 HG11 VAL 93 3.695 20.395 5.262 790 HG12 VAL 93 HG12 VAL 93 3.069 19.176 4.154 791 HG13 VAL 93 HG13 VAL 93 4.151 20.433 3.559 792 HG21 VAL 93 HG21 VAL 93 7.233 18.875 4.373 793 HG22 VAL 93 HG22 VAL 93 6.523 20.489 4.404 794 HG23 VAL 93 HG23 VAL 93 6.294 19.451 2.996 795 H LEU 94 H LEU 94 4.504 16.331 5.997 796 HA LEU 94 HA LEU 94 2.065 16.789 7.581 797 HB2 LEU 94 HB2 LEU 94 2.507 15.537 4.996 798 HB3 LEU 94 HB3 LEU 94 1.658 14.474 6.101 799 HG LEU 94 HG LEU 94 -0.006 16.287 6.484 800 HD11 LEU 94 HD11 LEU 94 1.913 17.793 4.977 801 HD12 LEU 94 HD12 LEU 94 0.488 18.351 5.851 802 HD13 LEU 94 HD13 LEU 94 0.345 17.830 4.173 803 HD21 LEU 94 HD21 LEU 94 -0.706 16.165 3.868 804 HD22 LEU 94 HD22 LEU 94 -0.984 14.874 5.036 805 HD23 LEU 94 HD23 LEU 94 0.426 14.818 3.978 806 HA PRO 95 HA PRO 95 4.706 13.645 9.800 807 HB2 PRO 95 HB2 PRO 95 4.642 14.841 12.224 808 HB3 PRO 95 HB3 PRO 95 5.836 15.266 10.991 809 HG2 PRO 95 HG2 PRO 95 3.294 16.665 11.727 810 HG3 PRO 95 HG3 PRO 95 4.890 17.355 11.380 811 HD2 PRO 95 HD2 PRO 95 2.874 17.306 9.558 812 HD3 PRO 95 HD3 PRO 95 4.589 17.225 9.102 813 H SER 96 H SER 96 1.669 15.245 10.464 814 HA SER 96 HA SER 96 0.788 13.213 12.327 815 HB2 SER 96 HB2 SER 96 -1.457 14.580 11.898 816 HB3 SER 96 HB3 SER 96 -0.182 15.203 12.945 817 HG SER 96 HG SER 96 -1.177 16.450 10.952 818 H SER 97 H SER 97 0.394 14.012 8.942 819 HA SER 97 HA SER 97 -1.826 12.337 8.418 820 HB2 SER 97 HB2 SER 97 -0.981 14.172 6.912 821 HB3 SER 97 HB3 SER 97 0.347 13.105 6.461 822 HG SER 97 HG SER 97 -1.275 12.847 4.962 823 H LEU 98 H LEU 98 1.670 11.826 8.219 824 HA LEU 98 HA LEU 98 1.820 9.368 7.027 825 HB2 LEU 98 HB2 LEU 98 3.615 10.967 8.196 826 HB3 LEU 98 HB3 LEU 98 3.486 9.753 9.454 827 HG LEU 98 HG LEU 98 4.382 9.355 6.606 828 HD11 LEU 98 HD11 LEU 98 5.867 10.170 8.631 829 HD12 LEU 98 HD12 LEU 98 6.475 9.022 7.439 830 HD13 LEU 98 HD13 LEU 98 5.887 8.445 8.997 831 HD21 LEU 98 HD21 LEU 98 3.011 7.471 7.069 832 HD22 LEU 98 HD22 LEU 98 3.667 7.312 8.700 833 HD23 LEU 98 HD23 LEU 98 4.681 6.956 7.301 834 H GLU 99 H GLU 99 0.771 10.095 10.291 835 HA GLU 99 HA GLU 99 0.899 7.552 11.423 836 HB2 GLU 99 HB2 GLU 99 -0.820 9.954 11.914 837 HB3 GLU 99 HB3 GLU 99 -1.176 8.450 12.752 838 HG2 GLU 99 HG2 GLU 99 1.635 9.146 12.890 839 HG3 GLU 99 HG3 GLU 99 0.596 10.405 13.555 840 H ILE 100 H ILE 100 -1.659 9.056 9.492 841 HA ILE 100 HA ILE 100 -3.549 6.988 9.723 842 HB ILE 100 HB ILE 100 -3.199 8.818 7.348 843 HG12 ILE 100 HG12 ILE 100 -5.186 9.510 9.410 844 HG13 ILE 100 HG13 ILE 100 -3.511 9.663 9.929 845 HG21 ILE 100 HG21 ILE 100 -5.532 7.243 8.414 846 HG22 ILE 100 HG22 ILE 100 -4.742 7.087 6.844 847 HG23 ILE 100 HG23 ILE 100 -5.692 8.526 7.214 848 HD11 ILE 100 HD11 ILE 100 -3.746 11.727 9.076 849 HD12 ILE 100 HD12 ILE 100 -5.049 11.250 7.989 850 HD13 ILE 100 HD13 ILE 100 -3.374 10.910 7.559 851 H PHE 101 H PHE 101 -0.868 7.494 7.494 852 HA PHE 101 HA PHE 101 -1.547 5.233 5.849 853 HB2 PHE 101 HB2 PHE 101 0.968 6.908 5.985 854 HB3 PHE 101 HB3 PHE 101 0.646 5.677 4.769 855 HD1 PHE 101 HD1 PHE 101 -1.402 5.989 3.284 856 HD2 PHE 101 HD2 PHE 101 0.241 9.095 5.685 857 HE1 PHE 101 HE1 PHE 101 -2.545 7.664 1.891 858 HE2 PHE 101 HE2 PHE 101 -0.900 10.776 4.296 859 HZ PHE 101 HZ PHE 101 -2.295 10.062 2.396 860 H GLU 102 H GLU 102 0.518 5.861 8.596 861 HA GLU 102 HA GLU 102 2.165 3.600 8.460 862 HB2 GLU 102 HB2 GLU 102 2.305 5.655 10.018 863 HB3 GLU 102 HB3 GLU 102 1.198 4.768 11.058 864 HG2 GLU 102 HG2 GLU 102 2.982 2.860 10.768 865 HG3 GLU 102 HG3 GLU 102 4.043 4.219 10.401 866 H GLU 103 H GLU 103 -0.928 4.081 10.151 867 HA GLU 103 HA GLU 103 -1.067 1.388 11.086 868 HB2 GLU 103 HB2 GLU 103 -2.275 3.603 11.902 869 HB3 GLU 103 HB3 GLU 103 -3.521 3.059 10.787 870 HG2 GLU 103 HG2 GLU 103 -4.310 1.797 12.420 871 HG3 GLU 103 HG3 GLU 103 -2.866 0.799 12.261 872 H LEU 104 H LEU 104 -1.928 2.988 8.149 873 HA LEU 104 HA LEU 104 -3.891 1.147 7.244 874 HB2 LEU 104 HB2 LEU 104 -3.271 3.553 6.416 875 HB3 LEU 104 HB3 LEU 104 -2.150 2.701 5.372 876 HG LEU 104 HG LEU 104 -5.105 2.108 5.440 877 HD11 LEU 104 HD11 LEU 104 -5.503 3.614 3.754 878 HD12 LEU 104 HD12 LEU 104 -3.813 3.663 3.249 879 HD13 LEU 104 HD13 LEU 104 -4.320 4.496 4.720 880 HD21 LEU 104 HD21 LEU 104 -4.260 1.388 3.007 881 HD22 LEU 104 HD22 LEU 104 -4.252 0.294 4.389 882 HD23 LEU 104 HD23 LEU 104 -2.772 1.125 3.916 883 H TYR 105 H TYR 105 -0.405 1.473 6.596 884 HA TYR 105 HA TYR 105 -0.283 -0.781 4.876 885 HB2 TYR 105 HB2 TYR 105 1.995 -0.377 4.727 886 HB3 TYR 105 HB3 TYR 105 1.382 1.212 5.162 887 HD1 TYR 105 HD1 TYR 105 2.938 -1.846 6.606 888 HD2 TYR 105 HD2 TYR 105 2.197 2.318 7.048 889 HE1 TYR 105 HE1 TYR 105 4.471 -1.785 8.527 890 HE2 TYR 105 HE2 TYR 105 3.726 2.393 8.973 891 HH TYR 105 HH TYR 105 4.689 0.925 10.619 892 H LYS 106 H LYS 106 0.506 -0.325 8.308 893 HA LYS 106 HA LYS 106 1.421 -2.922 8.818 894 HB2 LYS 106 HB2 LYS 106 1.234 -0.652 10.284 895 HB3 LYS 106 HB3 LYS 106 -0.079 -1.584 10.987 896 HG2 LYS 106 HG2 LYS 106 1.341 -3.229 11.784 897 HG3 LYS 106 HG3 LYS 106 2.627 -2.806 10.653 898 HD2 LYS 106 HD2 LYS 106 3.180 -0.851 11.868 899 HD3 LYS 106 HD3 LYS 106 1.705 -0.947 12.833 900 HE2 LYS 106 HE2 LYS 106 3.058 -1.886 14.364 901 HE3 LYS 106 HE3 LYS 106 2.831 -3.341 13.395 902 HZ1 LYS 106 HZ1 LYS 106 5.177 -1.654 13.686 903 HZ2 LYS 106 HZ2 LYS 106 4.871 -2.216 12.119 904 HZ3 LYS 106 HZ3 LYS 106 5.067 -3.315 13.389 905 H TYR 107 H TYR 107 -1.817 -1.569 8.737 906 HA TYR 107 HA TYR 107 -3.155 -3.771 9.903 907 HB2 TYR 107 HB2 TYR 107 -4.283 -1.661 9.813 908 HB3 TYR 107 HB3 TYR 107 -4.094 -1.565 8.066 909 HD1 TYR 107 HD1 TYR 107 -5.509 -2.906 6.586 910 HD2 TYR 107 HD2 TYR 107 -6.034 -2.997 10.807 911 HE1 TYR 107 HE1 TYR 107 -7.714 -3.948 6.283 912 HE2 TYR 107 HE2 TYR 107 -8.240 -4.041 10.517 913 HH TYR 107 HH TYR 107 -10.006 -4.143 8.703 914 H ALA 108 H ALA 108 -2.659 -2.833 6.504 915 HA ALA 108 HA ALA 108 -3.985 -5.003 5.342 916 HB1 ALA 108 HB1 ALA 108 -1.878 -3.112 4.396 917 HB2 ALA 108 HB2 ALA 108 -3.547 -3.299 3.856 918 HB3 ALA 108 HB3 ALA 108 -2.332 -4.492 3.394 919 H LEU 109 H LEU 109 -0.852 -4.783 6.810 920 HA LEU 109 HA LEU 109 0.203 -7.163 5.600 921 HB2 LEU 109 HB2 LEU 109 1.098 -5.524 7.968 922 HB3 LEU 109 HB3 LEU 109 1.973 -6.920 7.368 923 HG LEU 109 HG LEU 109 1.388 -4.508 5.660 924 HD11 LEU 109 HD11 LEU 109 3.822 -3.974 6.089 925 HD12 LEU 109 HD12 LEU 109 3.731 -5.088 7.453 926 HD13 LEU 109 HD13 LEU 109 2.708 -3.652 7.418 927 HD21 LEU 109 HD21 LEU 109 3.537 -6.587 5.350 928 HD22 LEU 109 HD22 LEU 109 2.979 -5.401 4.169 929 HD23 LEU 109 HD23 LEU 109 1.939 -6.752 4.620 930 H ASN 110 H ASN 110 -1.605 -6.379 8.479 931 HA ASN 110 HA ASN 110 -1.138 -8.887 9.786 932 HB2 ASN 110 HB2 ASN 110 -2.051 -6.456 10.627 933 HB3 ASN 110 HB3 ASN 110 -3.549 -7.379 10.551 934 HD21 ASN 110 HD21 ASN 110 -4.052 -8.042 12.503 935 HD22 ASN 110 HD22 ASN 110 -2.966 -8.736 13.655 936 H GLU 111 H GLU 111 -3.625 -7.557 7.693 937 HA GLU 111 HA GLU 111 -5.394 -9.796 8.004 938 HB2 GLU 111 HB2 GLU 111 -6.581 -8.732 6.038 939 HB3 GLU 111 HB3 GLU 111 -6.430 -7.730 7.474 940 HG2 GLU 111 HG2 GLU 111 -4.937 -6.303 6.493 941 HG3 GLU 111 HG3 GLU 111 -4.359 -7.515 5.352 942 H ASN 112 H ASN 112 -2.770 -8.938 5.892 943 HA ASN 112 HA ASN 112 -3.294 -10.576 3.701 944 HB2 ASN 112 HB2 ASN 112 -1.014 -9.142 4.780 945 HB3 ASN 112 HB3 ASN 112 -0.521 -10.664 4.045 946 HD21 ASN 112 HD21 ASN 112 -2.594 -7.858 3.422 947 HD22 ASN 112 HD22 ASN 112 -2.251 -7.764 1.731 948 H SER 113 H SER 113 -2.083 -11.354 6.880 949 HA SER 113 HA SER 113 -1.959 -14.189 6.087 950 HB2 SER 113 HB2 SER 113 -0.405 -13.270 8.456 951 HB3 SER 113 HB3 SER 113 -0.030 -14.533 7.283 952 HG SER 113 HG SER 113 0.624 -12.977 5.836 953 H ASN 114 H ASN 114 -4.309 -13.977 6.657 954 HA ASN 114 HA ASN 114 -4.709 -14.195 9.568 955 HB2 ASN 114 HB2 ASN 114 -5.929 -12.340 8.375 956 HB3 ASN 114 HB3 ASN 114 -6.824 -13.577 7.499 957 HD21 ASN 114 HD21 ASN 114 -6.126 -12.301 10.697 958 HD22 ASN 114 HD22 ASN 114 -7.591 -12.842 11.434 959 H ASP 115 H ASP 115 -5.344 -15.659 6.444 960 HA ASP 115 HA ASP 115 -6.054 -18.149 7.823 961 HB2 ASP 115 HB2 ASP 115 -7.631 -16.723 5.713 962 HB3 ASP 115 HB3 ASP 115 -7.663 -18.484 5.773 963 H ARG 116 H ARG 116 -5.953 -20.053 6.299 964 HA ARG 116 HA ARG 116 -4.161 -19.699 4.034 965 HB2 ARG 116 HB2 ARG 116 -2.708 -21.599 4.948 966 HB3 ARG 116 HB3 ARG 116 -2.495 -20.007 5.661 967 HG2 ARG 116 HG2 ARG 116 -2.506 -21.456 7.480 968 HG3 ARG 116 HG3 ARG 116 -4.140 -20.789 7.454 969 HD2 ARG 116 HD2 ARG 116 -4.035 -23.133 5.811 970 HD3 ARG 116 HD3 ARG 116 -3.363 -23.500 7.398 971 HE ARG 116 HE ARG 116 -5.854 -22.070 7.499 972 HH11 ARG 116 HH11 ARG 116 -4.372 -25.221 7.276 973 HH12 ARG 116 HH12 ARG 116 -5.747 -26.050 7.926 974 HH21 ARG 116 HH21 ARG 116 -7.661 -23.158 8.356 975 HH22 ARG 116 HH22 ARG 116 -7.614 -24.880 8.540 976 H SER 117 H SER 117 -3.845 -21.770 2.835 977 HA SER 117 HA SER 117 -5.456 -24.031 3.315 978 HB2 SER 117 HB2 SER 117 -7.158 -23.740 1.570 979 HB3 SER 117 HB3 SER 117 -7.300 -22.482 2.798 980 HG SER 117 HG SER 117 -6.272 -21.054 1.398 981 H GLU 118 H GLU 118 -4.514 -25.651 2.265 982 HA GLU 118 HA GLU 118 -3.499 -25.288 -0.427 983 HB2 GLU 118 HB2 GLU 118 -1.767 -25.359 1.923 984 HB3 GLU 118 HB3 GLU 118 -1.357 -26.595 0.742 985 HG2 GLU 118 HG2 GLU 118 -1.064 -24.944 -0.972 986 HG3 GLU 118 HG3 GLU 118 -1.652 -23.671 0.098 987 H HIS 119 H HIS 119 -4.919 -26.838 -1.140 988 HA HIS 119 HA HIS 119 -5.703 -28.915 -1.625 989 HB2 HIS 119 HB2 HIS 119 -2.997 -29.173 -1.526 990 HB3 HIS 119 HB3 HIS 119 -3.485 -30.361 -0.322 991 HD1 HIS 119 HD1 HIS 119 -6.056 -31.386 -1.747 992 HD2 HIS 119 HD2 HIS 119 -2.366 -30.860 -3.584 993 HE1 HIS 119 HE1 HIS 119 -6.079 -32.907 -3.750 994 HE2 HIS 119 HE2 HIS 119 -3.872 -32.505 -4.895 995 H HIS 120 H HIS 120 -6.844 -27.865 0.568 996 HA HIS 120 HA HIS 120 -6.797 -29.928 2.648 997 HB2 HIS 120 HB2 HIS 120 -6.732 -27.311 3.017 998 HB3 HIS 120 HB3 HIS 120 -8.479 -27.465 2.856 999 HD1 HIS 120 HD1 HIS 120 -9.151 -27.078 5.247 1000 HD2 HIS 120 HD2 HIS 120 -6.234 -30.012 4.858 1001 HE1 HIS 120 HE1 HIS 120 -8.935 -28.117 7.526 1002 HE2 HIS 120 HE2 HIS 120 -7.104 -29.832 7.287 1003 H LYS 121 H LYS 121 -8.555 -31.167 3.159 1004 HA LYS 121 HA LYS 121 -11.034 -30.756 1.654 1005 HB2 LYS 121 HB2 LYS 121 -9.530 -33.375 1.796 1006 HB3 LYS 121 HB3 LYS 121 -11.145 -33.175 1.128 1007 HG2 LYS 121 HG2 LYS 121 -10.385 -32.074 -0.742 1008 HG3 LYS 121 HG3 LYS 121 -8.900 -31.540 0.045 1009 HD2 LYS 121 HD2 LYS 121 -7.818 -33.504 -0.360 1010 HD3 LYS 121 HD3 LYS 121 -9.298 -34.461 -0.274 1011 HE2 LYS 121 HE2 LYS 121 -8.376 -32.722 -2.557 1012 HE3 LYS 121 HE3 LYS 121 -8.497 -34.482 -2.539 1013 HZ1 LYS 121 HZ1 LYS 121 -10.637 -32.474 -2.700 1014 HZ2 LYS 121 HZ2 LYS 121 -10.974 -33.983 -2.012 1015 HZ3 LYS 121 HZ3 LYS 121 -10.420 -33.885 -3.606 1016 H LYS 122 H LYS 122 -12.575 -32.746 2.444 1017 HA LYS 122 HA LYS 122 -13.862 -33.535 4.143 1018 HB2 LYS 122 HB2 LYS 122 -11.109 -33.691 5.217 1019 HB3 LYS 122 HB3 LYS 122 -12.401 -33.766 6.406 1020 HG2 LYS 122 HG2 LYS 122 -13.414 -35.614 5.050 1021 HG3 LYS 122 HG3 LYS 122 -11.939 -35.613 4.081 1022 HD2 LYS 122 HD2 LYS 122 -11.501 -37.261 5.649 1023 HD3 LYS 122 HD3 LYS 122 -10.737 -35.842 6.369 1024 HE2 LYS 122 HE2 LYS 122 -13.195 -35.603 7.413 1025 HE3 LYS 122 HE3 LYS 122 -13.131 -37.354 7.220 1026 HZ1 LYS 122 HZ1 LYS 122 -10.942 -37.240 8.421 1027 HZ2 LYS 122 HZ2 LYS 122 -12.306 -36.889 9.358 1028 HZ3 LYS 122 HZ3 LYS 122 -11.314 -35.635 8.806 1029 HA PRO 123 HA PRO 123 -14.122 -29.049 5.633 1030 HB2 PRO 123 HB2 PRO 123 -16.906 -29.562 4.732 1031 HB3 PRO 123 HB3 PRO 123 -15.888 -28.138 4.491 1032 HG2 PRO 123 HG2 PRO 123 -16.361 -29.831 2.488 1033 HG3 PRO 123 HG3 PRO 123 -14.768 -29.080 2.694 1034 HD2 PRO 123 HD2 PRO 123 -15.654 -31.858 3.346 1035 HD3 PRO 123 HD3 PRO 123 -14.107 -31.293 2.683 1036 H ARG 124 H ARG 124 -15.083 -28.367 7.543 1037 HA ARG 124 HA ARG 124 -16.679 -30.377 8.987 1038 HB2 ARG 124 HB2 ARG 124 -15.540 -29.586 11.076 1039 HB3 ARG 124 HB3 ARG 124 -14.496 -30.449 9.955 1040 HG2 ARG 124 HG2 ARG 124 -14.315 -27.731 9.269 1041 HG3 ARG 124 HG3 ARG 124 -14.218 -27.814 11.028 1042 HD2 ARG 124 HD2 ARG 124 -12.342 -29.228 10.962 1043 HD3 ARG 124 HD3 ARG 124 -12.589 -29.615 9.261 1044 HE ARG 124 HE ARG 124 -11.211 -27.340 10.339 1045 HH11 ARG 124 HH11 ARG 124 -12.971 -28.565 7.585 1046 HH12 ARG 124 HH12 ARG 124 -12.235 -27.466 6.468 1047 HH21 ARG 124 HH21 ARG 124 -10.240 -25.894 8.870 1048 HH22 ARG 124 HH22 ARG 124 -10.684 -25.949 7.197 1049 H ILE 125 H ILE 125 -18.220 -29.586 10.466 1050 HA ILE 125 HA ILE 125 -19.383 -27.075 9.698 1051 HB ILE 125 HB ILE 125 -20.239 -28.851 11.980 1052 HG12 ILE 125 HG12 ILE 125 -21.808 -29.128 9.563 1053 HG13 ILE 125 HG13 ILE 125 -20.123 -29.541 9.262 1054 HG21 ILE 125 HG21 ILE 125 -21.444 -26.559 10.513 1055 HG22 ILE 125 HG22 ILE 125 -21.455 -26.927 12.238 1056 HG23 ILE 125 HG23 ILE 125 -22.505 -27.822 11.139 1057 HD11 ILE 125 HD11 ILE 125 -20.892 -31.566 9.911 1058 HD12 ILE 125 HD12 ILE 125 -22.135 -30.885 10.962 1059 HD13 ILE 125 HD13 ILE 125 -20.455 -30.922 11.494 1060 H ASP 126 H ASP 126 -19.640 -25.229 10.942 1061 HA ASP 126 HA ASP 126 -17.694 -24.939 13.107 1062 HB2 ASP 126 HB2 ASP 126 -18.944 -23.094 11.146 1063 HB3 ASP 126 HB3 ASP 126 -18.570 -22.425 12.731 1064 H ASP 127 H ASP 127 -18.231 -24.237 15.149 1065 HA ASP 127 HA ASP 127 -21.103 -24.312 15.790 1066 HB2 ASP 127 HB2 ASP 127 -19.184 -25.928 16.798 1067 HB3 ASP 127 HB3 ASP 127 -19.122 -24.616 17.972 1068 H SER 128 H SER 128 -21.548 -23.090 17.942 1069 HA SER 128 HA SER 128 -19.982 -20.827 18.595 1070 HB2 SER 128 HB2 SER 128 -21.232 -20.401 16.235 1071 HB3 SER 128 HB3 SER 128 -22.488 -19.854 17.345 1072 HG SER 128 HG SER 128 -20.080 -18.709 16.717 1073 H SER 129 H SER 129 -21.308 -22.902 19.977 1074 HA SER 129 HA SER 129 -22.534 -23.232 21.862 1075 HB2 SER 129 HB2 SER 129 -21.419 -20.950 22.392 1076 HB3 SER 129 HB3 SER 129 -23.013 -20.271 22.070 1077 HG SER 129 HG SER 129 -22.582 -22.392 23.894 1078 H ASP 130 H ASP 130 -24.623 -23.741 22.303 1079 HA ASP 130 HA ASP 130 -26.792 -22.253 21.079 1080 HB2 ASP 130 HB2 ASP 130 -25.791 -24.257 19.575 1081 HB3 ASP 130 HB3 ASP 130 -26.941 -25.167 20.552 1082 H LEU 131 H LEU 131 -28.199 -21.987 22.670 1083 HA LEU 131 HA LEU 131 -29.009 -24.276 24.278 1084 HB2 LEU 131 HB2 LEU 131 -27.132 -23.090 25.472 1085 HB3 LEU 131 HB3 LEU 131 -28.180 -21.687 25.584 1086 HG LEU 131 HG LEU 131 -29.806 -23.521 26.685 1087 HD11 LEU 131 HD11 LEU 131 -27.025 -24.560 26.971 1088 HD12 LEU 131 HD12 LEU 131 -28.535 -25.435 26.712 1089 HD13 LEU 131 HD13 LEU 131 -28.168 -24.757 28.299 1090 HD21 LEU 131 HD21 LEU 131 -27.642 -21.861 27.946 1091 HD22 LEU 131 HD22 LEU 131 -28.822 -22.758 28.902 1092 HD23 LEU 131 HD23 LEU 131 -29.360 -21.496 27.794 1093 H LEU 132 H LEU 132 -30.992 -24.122 23.199 1094 HA LEU 132 HA LEU 132 -32.511 -21.653 23.379 1095 HB2 LEU 132 HB2 LEU 132 -32.913 -24.296 22.035 1096 HB3 LEU 132 HB3 LEU 132 -34.288 -23.237 22.288 1097 HG LEU 132 HG LEU 132 -33.370 -22.959 20.047 1098 HD11 LEU 132 HD11 LEU 132 -32.625 -20.491 21.574 1099 HD12 LEU 132 HD12 LEU 132 -34.301 -21.024 21.453 1100 HD13 LEU 132 HD13 LEU 132 -33.393 -20.631 19.994 1101 HD21 LEU 132 HD21 LEU 132 -30.895 -21.672 21.010 1102 HD22 LEU 132 HD22 LEU 132 -31.190 -22.633 19.561 1103 HD23 LEU 132 HD23 LEU 132 -30.952 -23.433 21.115 1104 H LYS 133 H LYS 133 -34.918 -21.965 23.994 1105 HA LYS 133 HA LYS 133 -36.448 -22.297 25.643 1106 HB2 LYS 133 HB2 LYS 133 -36.257 -24.645 24.906 1107 HB3 LYS 133 HB3 LYS 133 -34.954 -24.892 26.061 1108 HG2 LYS 133 HG2 LYS 133 -36.542 -25.591 27.453 1109 HG3 LYS 133 HG3 LYS 133 -36.964 -23.888 27.633 1110 HD2 LYS 133 HD2 LYS 133 -38.858 -24.097 26.421 1111 HD3 LYS 133 HD3 LYS 133 -38.129 -25.240 25.291 1112 HE2 LYS 133 HE2 LYS 133 -39.031 -25.891 28.095 1113 HE3 LYS 133 HE3 LYS 133 -39.937 -26.250 26.625 1114 HZ1 LYS 133 HZ1 LYS 133 -37.609 -27.385 26.047 1115 HZ2 LYS 133 HZ2 LYS 133 -38.868 -28.207 26.822 1116 HZ3 LYS 133 HZ3 LYS 133 -37.593 -27.567 27.729 1117 H THR 134 H THR 134 -35.798 -20.609 26.968 1118 HA THR 134 HA THR 134 -34.743 -21.405 29.526 1119 HB THR 134 HB THR 134 -33.095 -19.303 29.254 1120 HG1 THR 134 HG1 THR 134 -32.118 -19.464 27.184 1121 HG21 THR 134 HG21 THR 134 -31.333 -20.744 29.281 1122 HG22 THR 134 HG22 THR 134 -32.060 -21.833 28.100 1123 HG23 THR 134 HG23 THR 134 -32.634 -21.829 29.767 1124 H ASP 135 H ASP 135 -36.716 -20.713 30.335 1125 HA ASP 135 HA ASP 135 -36.883 -17.936 30.969 1126 HB2 ASP 135 HB2 ASP 135 -38.053 -18.590 28.556 1127 HB3 ASP 135 HB3 ASP 135 -39.409 -18.661 29.677 1128 H GLU 136 H GLU 136 -37.674 -17.825 32.962 1129 HA GLU 136 HA GLU 136 -39.810 -19.637 33.785 1130 HB2 GLU 136 HB2 GLU 136 -37.044 -19.617 34.875 1131 HB3 GLU 136 HB3 GLU 136 -38.363 -19.799 36.023 1132 HG2 GLU 136 HG2 GLU 136 -39.178 -21.660 34.426 1133 HG3 GLU 136 HG3 GLU 136 -37.529 -21.613 33.802 1134 H ILE 137 H ILE 137 -37.652 -17.007 34.780 1135 HA ILE 137 HA ILE 137 -37.950 -15.131 36.002 1136 HB ILE 137 HB ILE 137 -39.509 -14.713 34.062 1137 HG12 ILE 137 HG12 ILE 137 -38.788 -13.026 35.792 1138 HG13 ILE 137 HG13 ILE 137 -40.298 -12.657 34.967 1139 HG21 ILE 137 HG21 ILE 137 -41.969 -14.482 34.950 1140 HG22 ILE 137 HG22 ILE 137 -41.474 -15.795 36.016 1141 HG23 ILE 137 HG23 ILE 137 -41.385 -15.998 34.266 1142 HD11 ILE 137 HD11 ILE 137 -41.059 -14.094 37.220 1143 HD12 ILE 137 HD12 ILE 137 -41.191 -12.353 36.968 1144 HD13 ILE 137 HD13 ILE 137 -39.772 -13.024 37.774 Start of MODEL 19 1 H1 GLY -2 H1 GLY -2 -7.413 2.924 -23.743 2 H2 GLY -2 H2 GLY -2 -8.618 3.352 -24.851 3 H3 GLY -2 H3 GLY -2 -9.010 2.426 -23.490 4 HA2 GLY -2 HA2 GLY -2 -7.749 4.978 -22.935 5 HA3 GLY -2 HA3 GLY -2 -9.357 5.067 -23.636 6 H HIS -1 H HIS -1 -9.181 6.102 -21.227 7 HA HIS -1 HA HIS -1 -10.594 4.158 -19.557 8 HB2 HIS -1 HB2 HIS -1 -9.363 5.036 -17.545 9 HB3 HIS -1 HB3 HIS -1 -8.381 4.076 -18.646 10 HD1 HIS -1 HD1 HIS -1 -9.069 7.728 -17.862 11 HD2 HIS -1 HD2 HIS -1 -6.095 5.304 -19.456 12 HE1 HIS -1 HE1 HIS -1 -7.090 9.238 -18.217 13 HE2 HIS -1 HE2 HIS -1 -5.275 7.732 -19.099 14 H MET 0 H MET 0 -12.183 5.025 -18.251 15 HA MET 0 HA MET 0 -12.961 7.758 -18.917 16 HB2 MET 0 HB2 MET 0 -14.441 5.512 -18.825 17 HB3 MET 0 HB3 MET 0 -14.682 6.082 -17.179 18 HG2 MET 0 HG2 MET 0 -15.507 8.209 -18.017 19 HG3 MET 0 HG3 MET 0 -15.230 7.674 -19.675 20 HE1 MET 0 HE1 MET 0 -17.698 8.802 -19.479 21 HE2 MET 0 HE2 MET 0 -18.254 8.524 -17.828 22 HE3 MET 0 HE3 MET 0 -19.136 7.821 -19.185 23 H MET 1 H MET 1 -12.353 5.730 -16.074 24 HA MET 1 HA MET 1 -11.836 8.176 -14.537 25 HB2 MET 1 HB2 MET 1 -14.065 6.486 -14.155 26 HB3 MET 1 HB3 MET 1 -12.966 6.160 -12.821 27 HG2 MET 1 HG2 MET 1 -13.563 8.029 -11.807 28 HG3 MET 1 HG3 MET 1 -13.147 8.982 -13.230 29 HE1 MET 1 HE1 MET 1 -15.267 10.216 -14.768 30 HE2 MET 1 HE2 MET 1 -16.359 8.942 -15.312 31 HE3 MET 1 HE3 MET 1 -14.615 8.689 -15.362 32 H SER 2 H SER 2 -10.938 7.374 -12.244 33 HA SER 2 HA SER 2 -9.089 5.139 -12.641 34 HB2 SER 2 HB2 SER 2 -7.776 7.053 -13.299 35 HB3 SER 2 HB3 SER 2 -8.275 7.946 -11.863 36 HG SER 2 HG SER 2 -6.141 6.891 -11.806 37 H LYS 3 H LYS 3 -9.305 3.809 -10.978 38 HA LYS 3 HA LYS 3 -10.305 4.845 -8.431 39 HB2 LYS 3 HB2 LYS 3 -9.926 1.958 -9.230 40 HB3 LYS 3 HB3 LYS 3 -10.871 2.578 -7.883 41 HG2 LYS 3 HG2 LYS 3 -12.648 3.058 -9.175 42 HG3 LYS 3 HG3 LYS 3 -11.653 3.571 -10.539 43 HD2 LYS 3 HD2 LYS 3 -11.083 1.037 -10.727 44 HD3 LYS 3 HD3 LYS 3 -12.554 0.824 -9.775 45 HE2 LYS 3 HE2 LYS 3 -13.493 0.760 -11.838 46 HE3 LYS 3 HE3 LYS 3 -13.496 2.509 -11.615 47 HZ1 LYS 3 HZ1 LYS 3 -11.088 1.361 -12.776 48 HZ2 LYS 3 HZ2 LYS 3 -11.896 2.799 -13.156 49 HZ3 LYS 3 HZ3 LYS 3 -12.472 1.323 -13.748 50 H LEU 4 H LEU 4 -8.921 5.289 -6.861 51 HA LEU 4 HA LEU 4 -6.185 4.407 -6.991 52 HB2 LEU 4 HB2 LEU 4 -7.676 6.468 -5.652 53 HB3 LEU 4 HB3 LEU 4 -6.693 5.606 -4.486 54 HG LEU 4 HG LEU 4 -5.283 6.371 -6.956 55 HD11 LEU 4 HD11 LEU 4 -6.200 8.436 -6.983 56 HD12 LEU 4 HD12 LEU 4 -5.029 8.717 -5.693 57 HD13 LEU 4 HD13 LEU 4 -6.709 8.354 -5.296 58 HD21 LEU 4 HD21 LEU 4 -4.345 7.175 -4.282 59 HD22 LEU 4 HD22 LEU 4 -3.485 6.373 -5.594 60 HD23 LEU 4 HD23 LEU 4 -4.544 5.443 -4.535 61 H PHE 5 H PHE 5 -5.138 3.562 -4.926 62 HA PHE 5 HA PHE 5 -6.198 1.035 -4.330 63 HB2 PHE 5 HB2 PHE 5 -4.372 0.778 -2.808 64 HB3 PHE 5 HB3 PHE 5 -3.778 1.723 -4.168 65 HD1 PHE 5 HD1 PHE 5 -4.857 1.887 -0.650 66 HD2 PHE 5 HD2 PHE 5 -2.978 3.935 -3.873 67 HE1 PHE 5 HE1 PHE 5 -4.085 3.626 0.911 68 HE2 PHE 5 HE2 PHE 5 -2.202 5.677 -2.320 69 HZ PHE 5 HZ PHE 5 -2.756 5.525 0.076 70 H LEU 6 H LEU 6 -6.241 4.064 -2.501 71 HA LEU 6 HA LEU 6 -7.524 2.982 -0.212 72 HB2 LEU 6 HB2 LEU 6 -8.064 5.425 0.260 73 HB3 LEU 6 HB3 LEU 6 -6.372 4.977 0.167 74 HG LEU 6 HG LEU 6 -6.244 5.900 -2.107 75 HD11 LEU 6 HD11 LEU 6 -9.164 6.196 -1.696 76 HD12 LEU 6 HD12 LEU 6 -8.257 5.799 -3.156 77 HD13 LEU 6 HD13 LEU 6 -8.330 7.468 -2.588 78 HD21 LEU 6 HD21 LEU 6 -6.968 8.336 -1.328 79 HD22 LEU 6 HD22 LEU 6 -5.539 7.525 -0.688 80 HD23 LEU 6 HD23 LEU 6 -7.040 7.525 0.236 81 H ASP 7 H ASP 7 -8.668 3.877 -3.312 82 HA ASP 7 HA ASP 7 -11.281 4.687 -2.747 83 HB2 ASP 7 HB2 ASP 7 -9.830 4.348 -5.026 84 HB3 ASP 7 HB3 ASP 7 -10.948 2.993 -5.140 85 H GLU 8 H GLU 8 -9.822 1.516 -2.824 86 HA GLU 8 HA GLU 8 -12.355 0.129 -2.691 87 HB2 GLU 8 HB2 GLU 8 -9.477 -0.712 -2.665 88 HB3 GLU 8 HB3 GLU 8 -10.730 -1.849 -2.189 89 HG2 GLU 8 HG2 GLU 8 -10.783 -0.377 -4.805 90 HG3 GLU 8 HG3 GLU 8 -9.979 -1.933 -4.596 91 H LEU 9 H LEU 9 -9.933 1.306 -0.488 92 HA LEU 9 HA LEU 9 -10.441 -0.240 1.764 93 HB2 LEU 9 HB2 LEU 9 -9.502 2.578 1.372 94 HB3 LEU 9 HB3 LEU 9 -9.800 1.972 2.990 95 HG LEU 9 HG LEU 9 -7.876 0.732 1.021 96 HD11 LEU 9 HD11 LEU 9 -6.669 2.564 1.556 97 HD12 LEU 9 HD12 LEU 9 -6.332 1.638 3.018 98 HD13 LEU 9 HD13 LEU 9 -7.589 2.876 3.027 99 HD21 LEU 9 HD21 LEU 9 -8.418 0.177 3.935 100 HD22 LEU 9 HD22 LEU 9 -7.087 -0.509 3.002 101 HD23 LEU 9 HD23 LEU 9 -8.754 -0.895 2.576 102 HA PRO 10 HA PRO 10 -14.388 0.694 3.449 103 HB2 PRO 10 HB2 PRO 10 -13.700 1.683 5.976 104 HB3 PRO 10 HB3 PRO 10 -13.969 -0.012 5.563 105 HG2 PRO 10 HG2 PRO 10 -11.411 1.498 5.810 106 HG3 PRO 10 HG3 PRO 10 -11.772 -0.183 6.241 107 HD2 PRO 10 HD2 PRO 10 -10.393 0.415 4.028 108 HD3 PRO 10 HD3 PRO 10 -11.565 -0.920 4.047 109 H GLU 11 H GLU 11 -15.797 2.359 3.409 110 HA GLU 11 HA GLU 11 -15.025 4.878 2.504 111 HB2 GLU 11 HB2 GLU 11 -17.291 3.881 2.247 112 HB3 GLU 11 HB3 GLU 11 -17.583 4.184 3.955 113 HG2 GLU 11 HG2 GLU 11 -17.217 6.607 3.514 114 HG3 GLU 11 HG3 GLU 11 -17.133 6.226 1.794 115 H SER 12 H SER 12 -15.375 3.650 5.747 116 HA SER 12 HA SER 12 -15.557 6.102 7.117 117 HB2 SER 12 HB2 SER 12 -15.698 3.500 7.870 118 HB3 SER 12 HB3 SER 12 -14.092 3.916 8.466 119 HG SER 12 HG SER 12 -16.520 5.265 9.056 120 H LEU 13 H LEU 13 -12.735 4.057 6.386 121 HA LEU 13 HA LEU 13 -10.899 6.014 7.434 122 HB2 LEU 13 HB2 LEU 13 -10.709 3.300 6.258 123 HB3 LEU 13 HB3 LEU 13 -9.295 4.325 6.096 124 HG LEU 13 HG LEU 13 -10.545 4.013 8.791 125 HD11 LEU 13 HD11 LEU 13 -8.573 2.035 7.675 126 HD12 LEU 13 HD12 LEU 13 -10.308 1.733 7.764 127 HD13 LEU 13 HD13 LEU 13 -9.383 1.995 9.242 128 HD21 LEU 13 HD21 LEU 13 -7.932 3.984 9.211 129 HD22 LEU 13 HD22 LEU 13 -8.818 5.491 8.962 130 HD23 LEU 13 HD23 LEU 13 -7.917 4.766 7.629 131 H SER 14 H SER 14 -11.900 4.884 4.236 132 HA SER 14 HA SER 14 -10.061 6.241 2.664 133 HB2 SER 14 HB2 SER 14 -11.478 5.820 0.848 134 HB3 SER 14 HB3 SER 14 -11.917 4.555 1.996 135 HG SER 14 HG SER 14 -13.758 5.591 1.129 136 H ARG 15 H ARG 15 -12.821 7.459 4.397 137 HA ARG 15 HA ARG 15 -12.997 9.938 2.976 138 HB2 ARG 15 HB2 ARG 15 -14.452 8.595 5.052 139 HB3 ARG 15 HB3 ARG 15 -14.102 10.239 5.566 140 HG2 ARG 15 HG2 ARG 15 -16.205 10.284 4.489 141 HG3 ARG 15 HG3 ARG 15 -15.048 11.020 3.378 142 HD2 ARG 15 HD2 ARG 15 -15.827 8.117 3.240 143 HD3 ARG 15 HD3 ARG 15 -16.691 9.381 2.365 144 HE ARG 15 HE ARG 15 -14.159 8.242 1.688 145 HH11 ARG 15 HH11 ARG 15 -16.085 11.143 1.480 146 HH12 ARG 15 HH12 ARG 15 -15.274 11.731 0.067 147 HH21 ARG 15 HH21 ARG 15 -13.092 9.011 -0.171 148 HH22 ARG 15 HH22 ARG 15 -13.575 10.520 -0.871 149 H LYS 16 H LYS 16 -11.530 8.904 6.031 150 HA LYS 16 HA LYS 16 -10.635 11.487 6.795 151 HB2 LYS 16 HB2 LYS 16 -10.141 8.695 7.690 152 HB3 LYS 16 HB3 LYS 16 -8.944 9.902 8.140 153 HG2 LYS 16 HG2 LYS 16 -10.704 11.245 9.189 154 HG3 LYS 16 HG3 LYS 16 -11.889 10.012 8.759 155 HD2 LYS 16 HD2 LYS 16 -11.384 9.449 10.943 156 HD3 LYS 16 HD3 LYS 16 -10.287 8.407 10.034 157 HE2 LYS 16 HE2 LYS 16 -8.709 9.252 11.387 158 HE3 LYS 16 HE3 LYS 16 -8.781 10.653 10.318 159 HZ1 LYS 16 HZ1 LYS 16 -9.149 11.725 12.244 160 HZ2 LYS 16 HZ2 LYS 16 -9.726 10.352 13.047 161 HZ3 LYS 16 HZ3 LYS 16 -10.747 11.221 12.016 162 H ILE 17 H ILE 17 -9.305 8.964 4.782 163 HA ILE 17 HA ILE 17 -6.661 10.094 4.692 164 HB ILE 17 HB ILE 17 -7.872 8.067 2.811 165 HG12 ILE 17 HG12 ILE 17 -6.124 7.365 5.145 166 HG13 ILE 17 HG13 ILE 17 -7.855 7.584 5.383 167 HG21 ILE 17 HG21 ILE 17 -5.534 9.411 2.546 168 HG22 ILE 17 HG22 ILE 17 -5.831 7.793 1.911 169 HG23 ILE 17 HG23 ILE 17 -5.008 7.995 3.457 170 HD11 ILE 17 HD11 ILE 17 -8.206 5.880 3.571 171 HD12 ILE 17 HD12 ILE 17 -7.486 5.277 5.064 172 HD13 ILE 17 HD13 ILE 17 -6.473 5.561 3.649 173 H GLY 18 H GLY 18 -9.389 9.876 2.412 174 HA2 GLY 18 HA2 GLY 18 -8.241 11.256 0.285 175 HA3 GLY 18 HA3 GLY 18 -9.964 11.175 0.613 176 H THR 19 H THR 19 -9.632 12.506 3.244 177 HA THR 19 HA THR 19 -9.894 15.191 2.300 178 HB THR 19 HB THR 19 -11.261 14.435 4.148 179 HG1 THR 19 HG1 THR 19 -10.529 16.650 4.113 180 HG21 THR 19 HG21 THR 19 -10.039 12.835 5.315 181 HG22 THR 19 HG22 THR 19 -10.146 14.203 6.422 182 HG23 THR 19 HG23 THR 19 -8.658 13.909 5.526 183 H VAL 20 H VAL 20 -7.410 13.405 4.063 184 HA VAL 20 HA VAL 20 -5.772 15.745 4.462 185 HB VAL 20 HB VAL 20 -5.713 13.882 6.067 186 HG11 VAL 20 HG11 VAL 20 -4.395 11.833 5.395 187 HG12 VAL 20 HG12 VAL 20 -4.611 12.351 3.723 188 HG13 VAL 20 HG13 VAL 20 -6.017 11.967 4.717 189 HG21 VAL 20 HG21 VAL 20 -3.027 14.135 4.734 190 HG22 VAL 20 HG22 VAL 20 -3.376 13.904 6.446 191 HG23 VAL 20 HG23 VAL 20 -3.763 15.438 5.668 192 H VAL 21 H VAL 21 -5.984 13.125 2.146 193 HA VAL 21 HA VAL 21 -3.475 13.439 0.917 194 HB VAL 21 HB VAL 21 -6.061 12.529 -0.361 195 HG11 VAL 21 HG11 VAL 21 -4.169 13.170 -1.902 196 HG12 VAL 21 HG12 VAL 21 -4.752 11.514 -2.054 197 HG13 VAL 21 HG13 VAL 21 -3.250 11.845 -1.190 198 HG21 VAL 21 HG21 VAL 21 -4.741 11.367 1.760 199 HG22 VAL 21 HG22 VAL 21 -4.116 10.488 0.365 200 HG23 VAL 21 HG23 VAL 21 -5.854 10.553 0.660 201 H ARG 22 H ARG 22 -6.493 15.174 0.589 202 HA ARG 22 HA ARG 22 -6.131 16.468 -1.835 203 HB2 ARG 22 HB2 ARG 22 -7.970 16.595 0.204 204 HB3 ARG 22 HB3 ARG 22 -7.231 18.188 0.272 205 HG2 ARG 22 HG2 ARG 22 -8.771 18.713 -1.261 206 HG3 ARG 22 HG3 ARG 22 -7.656 17.938 -2.389 207 HD2 ARG 22 HD2 ARG 22 -9.200 15.880 -1.246 208 HD3 ARG 22 HD3 ARG 22 -10.322 17.176 -1.659 209 HE ARG 22 HE ARG 22 -8.544 16.687 -3.805 210 HH11 ARG 22 HH11 ARG 22 -11.322 15.327 -2.191 211 HH12 ARG 22 HH12 ARG 22 -11.898 14.507 -3.603 212 HH21 ARG 22 HH21 ARG 22 -9.298 15.610 -5.664 213 HH22 ARG 22 HH22 ARG 22 -10.748 14.665 -5.575 214 H VAL 23 H VAL 23 -4.575 16.991 1.225 215 HA VAL 23 HA VAL 23 -3.479 19.563 0.531 216 HB VAL 23 HB VAL 23 -2.685 17.698 2.777 217 HG11 VAL 23 HG11 VAL 23 -1.107 19.586 2.051 218 HG12 VAL 23 HG12 VAL 23 -1.551 19.497 3.755 219 HG13 VAL 23 HG13 VAL 23 -2.328 20.679 2.703 220 HG21 VAL 23 HG21 VAL 23 -4.092 19.574 4.025 221 HG22 VAL 23 HG22 VAL 23 -4.842 18.120 3.368 222 HG23 VAL 23 HG23 VAL 23 -4.913 19.632 2.465 223 H LEU 24 H LEU 24 -2.223 16.249 0.835 224 HA LEU 24 HA LEU 24 0.094 17.073 -0.785 225 HB2 LEU 24 HB2 LEU 24 -0.073 15.544 1.719 226 HB3 LEU 24 HB3 LEU 24 0.977 14.850 0.500 227 HG LEU 24 HG LEU 24 2.102 16.365 2.154 228 HD11 LEU 24 HD11 LEU 24 3.672 16.587 0.602 229 HD12 LEU 24 HD12 LEU 24 2.719 17.794 -0.261 230 HD13 LEU 24 HD13 LEU 24 2.490 16.079 -0.603 231 HD21 LEU 24 HD21 LEU 24 0.943 18.648 0.608 232 HD22 LEU 24 HD22 LEU 24 1.750 18.657 2.175 233 HD23 LEU 24 HD23 LEU 24 0.114 18.015 2.029 234 HA PRO 25 HA PRO 25 -2.376 13.782 -3.027 235 HB2 PRO 25 HB2 PRO 25 -2.176 15.048 -5.452 236 HB3 PRO 25 HB3 PRO 25 -3.521 15.280 -4.328 237 HG2 PRO 25 HG2 PRO 25 -1.105 16.987 -4.769 238 HG3 PRO 25 HG3 PRO 25 -2.791 17.475 -4.519 239 HD2 PRO 25 HD2 PRO 25 -0.969 17.593 -2.541 240 HD3 PRO 25 HD3 PRO 25 -2.667 17.183 -2.227 241 H SER 26 H SER 26 0.637 15.460 -3.427 242 HA SER 26 HA SER 26 1.716 13.559 -5.317 243 HB2 SER 26 HB2 SER 26 2.423 15.890 -5.469 244 HB3 SER 26 HB3 SER 26 3.023 15.838 -3.812 245 HG SER 26 HG SER 26 4.666 15.538 -5.426 246 H SER 27 H SER 27 2.045 14.328 -1.873 247 HA SER 27 HA SER 27 4.139 12.550 -1.291 248 HB2 SER 27 HB2 SER 27 3.114 14.372 0.209 249 HB3 SER 27 HB3 SER 27 1.904 13.164 0.638 250 HG SER 27 HG SER 27 3.406 12.775 2.109 251 H LEU 28 H LEU 28 0.640 12.098 -1.388 252 HA LEU 28 HA LEU 28 0.317 9.628 -0.268 253 HB2 LEU 28 HB2 LEU 28 -1.306 11.266 -1.614 254 HB3 LEU 28 HB3 LEU 28 -1.047 10.070 -2.869 255 HG LEU 28 HG LEU 28 -2.358 9.711 -0.191 256 HD11 LEU 28 HD11 LEU 28 -3.368 10.263 -2.666 257 HD12 LEU 28 HD12 LEU 28 -4.258 9.492 -1.352 258 HD13 LEU 28 HD13 LEU 28 -3.494 8.505 -2.598 259 HD21 LEU 28 HD21 LEU 28 -0.939 7.835 -0.242 260 HD22 LEU 28 HD22 LEU 28 -1.165 7.609 -1.977 261 HD23 LEU 28 HD23 LEU 28 -2.487 7.261 -0.863 262 H GLU 29 H GLU 29 1.628 10.354 -3.455 263 HA GLU 29 HA GLU 29 1.625 7.820 -4.583 264 HB2 GLU 29 HB2 GLU 29 3.874 9.799 -4.926 265 HB3 GLU 29 HB3 GLU 29 3.298 8.606 -6.084 266 HG2 GLU 29 HG2 GLU 29 1.133 10.317 -5.389 267 HG3 GLU 29 HG3 GLU 29 2.529 11.309 -5.804 268 H ILE 30 H ILE 30 4.163 9.345 -2.606 269 HA ILE 30 HA ILE 30 5.966 7.209 -2.620 270 HB ILE 30 HB ILE 30 5.548 9.151 -0.347 271 HG12 ILE 30 HG12 ILE 30 7.718 9.828 -2.124 272 HG13 ILE 30 HG13 ILE 30 6.212 9.717 -3.033 273 HG21 ILE 30 HG21 ILE 30 7.745 7.287 -1.135 274 HG22 ILE 30 HG22 ILE 30 7.033 7.579 0.453 275 HG23 ILE 30 HG23 ILE 30 8.121 8.772 -0.258 276 HD11 ILE 30 HD11 ILE 30 5.642 11.725 -2.317 277 HD12 ILE 30 HD12 ILE 30 7.139 11.824 -1.393 278 HD13 ILE 30 HD13 ILE 30 5.687 11.155 -0.649 279 H PHE 31 H PHE 31 3.451 8.028 -0.239 280 HA PHE 31 HA PHE 31 3.889 5.857 1.473 281 HB2 PHE 31 HB2 PHE 31 1.374 7.446 0.935 282 HB3 PHE 31 HB3 PHE 31 1.549 6.291 2.252 283 HD1 PHE 31 HD1 PHE 31 4.043 6.762 3.454 284 HD2 PHE 31 HD2 PHE 31 1.408 9.603 1.693 285 HE1 PHE 31 HE1 PHE 31 5.004 8.527 4.873 286 HE2 PHE 31 HE2 PHE 31 2.365 11.373 3.107 287 HZ PHE 31 HZ PHE 31 4.166 10.837 4.700 288 H GLU 32 H GLU 32 2.051 6.151 -1.493 289 HA GLU 32 HA GLU 32 0.477 3.857 -1.330 290 HB2 GLU 32 HB2 GLU 32 0.245 5.587 -3.080 291 HB3 GLU 32 HB3 GLU 32 1.754 5.044 -3.803 292 HG2 GLU 32 HG2 GLU 32 0.495 2.728 -3.843 293 HG3 GLU 32 HG3 GLU 32 -0.927 3.771 -3.812 294 H GLU 33 H GLU 33 3.734 4.242 -2.718 295 HA GLU 33 HA GLU 33 4.025 1.458 -3.290 296 HB2 GLU 33 HB2 GLU 33 5.682 3.890 -3.511 297 HB3 GLU 33 HB3 GLU 33 6.582 2.403 -3.251 298 HG2 GLU 33 HG2 GLU 33 4.497 2.616 -5.391 299 HG3 GLU 33 HG3 GLU 33 6.154 3.155 -5.654 300 H LEU 34 H LEU 34 4.825 3.556 -0.613 301 HA LEU 34 HA LEU 34 6.545 1.764 0.755 302 HB2 LEU 34 HB2 LEU 34 6.762 3.969 1.436 303 HB3 LEU 34 HB3 LEU 34 5.034 4.241 1.469 304 HG LEU 34 HG LEU 34 6.304 4.201 3.698 305 HD11 LEU 34 HD11 LEU 34 3.747 3.892 3.131 306 HD12 LEU 34 HD12 LEU 34 4.362 3.705 4.773 307 HD13 LEU 34 HD13 LEU 34 4.043 2.280 3.784 308 HD21 LEU 34 HD21 LEU 34 5.892 1.354 4.016 309 HD22 LEU 34 HD22 LEU 34 7.297 2.344 4.411 310 HD23 LEU 34 HD23 LEU 34 7.102 1.704 2.781 311 H TYR 35 H TYR 35 3.064 2.369 0.875 312 HA TYR 35 HA TYR 35 2.562 0.593 3.041 313 HB2 TYR 35 HB2 TYR 35 0.645 1.750 2.957 314 HB3 TYR 35 HB3 TYR 35 1.041 2.375 1.364 315 HD1 TYR 35 HD1 TYR 35 -0.240 -0.764 2.946 316 HD2 TYR 35 HD2 TYR 35 -0.409 1.899 -0.368 317 HE1 TYR 35 HE1 TYR 35 -2.074 -2.089 1.982 318 HE2 TYR 35 HE2 TYR 35 -2.243 0.583 -1.340 319 HH TYR 35 HH TYR 35 -3.150 -1.679 -1.223 320 H LYS 36 H LYS 36 2.431 0.284 -0.479 321 HA LYS 36 HA LYS 36 1.485 -2.420 -0.417 322 HB2 LYS 36 HB2 LYS 36 1.690 -0.433 -2.350 323 HB3 LYS 36 HB3 LYS 36 2.854 -1.646 -2.868 324 HG2 LYS 36 HG2 LYS 36 1.111 -2.624 -3.856 325 HG3 LYS 36 HG3 LYS 36 0.685 -3.178 -2.234 326 HD2 LYS 36 HD2 LYS 36 -0.905 -1.484 -1.949 327 HD3 LYS 36 HD3 LYS 36 -0.242 -0.518 -3.269 328 HE2 LYS 36 HE2 LYS 36 -1.354 -3.234 -3.826 329 HE3 LYS 36 HE3 LYS 36 -2.449 -1.870 -3.608 330 HZ1 LYS 36 HZ1 LYS 36 -0.208 -1.473 -5.428 331 HZ2 LYS 36 HZ2 LYS 36 -1.806 -0.928 -5.542 332 HZ3 LYS 36 HZ3 LYS 36 -1.426 -2.524 -5.950 333 H TYR 37 H TYR 37 4.583 -0.867 -0.333 334 HA TYR 37 HA TYR 37 6.233 -2.917 -1.266 335 HB2 TYR 37 HB2 TYR 37 7.165 -0.744 -0.916 336 HB3 TYR 37 HB3 TYR 37 6.699 -0.744 0.780 337 HD1 TYR 37 HD1 TYR 37 7.866 -2.350 2.351 338 HD2 TYR 37 HD2 TYR 37 9.259 -1.584 -1.596 339 HE1 TYR 37 HE1 TYR 37 10.075 -3.235 2.967 340 HE2 TYR 37 HE2 TYR 37 11.473 -2.466 -0.991 341 HH TYR 37 HH TYR 37 12.471 -2.938 2.144 342 H ALA 38 H ALA 38 5.162 -2.213 2.056 343 HA ALA 38 HA ALA 38 6.483 -4.290 3.349 344 HB1 ALA 38 HB1 ALA 38 4.186 -2.551 3.948 345 HB2 ALA 38 HB2 ALA 38 5.608 -2.933 4.918 346 HB3 ALA 38 HB3 ALA 38 4.255 -4.063 4.854 347 H LEU 39 H LEU 39 3.711 -4.383 1.287 348 HA LEU 39 HA LEU 39 2.757 -6.935 2.224 349 HB2 LEU 39 HB2 LEU 39 2.014 -5.023 0.070 350 HB3 LEU 39 HB3 LEU 39 1.522 -6.695 -0.123 351 HG LEU 39 HG LEU 39 0.850 -5.013 2.290 352 HD11 LEU 39 HD11 LEU 39 -1.484 -5.150 1.223 353 HD12 LEU 39 HD12 LEU 39 -0.620 -5.492 -0.275 354 HD13 LEU 39 HD13 LEU 39 -0.338 -3.975 0.579 355 HD21 LEU 39 HD21 LEU 39 -0.725 -7.387 1.532 356 HD22 LEU 39 HD22 LEU 39 -0.250 -6.797 3.124 357 HD23 LEU 39 HD23 LEU 39 0.902 -7.696 2.138 358 H ASN 40 H ASN 40 4.963 -5.776 -0.208 359 HA ASN 40 HA ASN 40 5.055 -8.259 -1.662 360 HB2 ASN 40 HB2 ASN 40 6.071 -5.576 -1.996 361 HB3 ASN 40 HB3 ASN 40 7.344 -6.756 -2.292 362 HD21 ASN 40 HD21 ASN 40 7.512 -6.727 -4.440 363 HD22 ASN 40 HD22 ASN 40 6.224 -7.061 -5.540 364 H GLU 41 H GLU 41 6.781 -6.819 0.999 365 HA GLU 41 HA GLU 41 9.167 -8.232 0.925 366 HB2 GLU 41 HB2 GLU 41 9.511 -7.556 3.119 367 HB3 GLU 41 HB3 GLU 41 8.364 -6.360 2.535 368 HG2 GLU 41 HG2 GLU 41 6.553 -7.823 3.551 369 HG3 GLU 41 HG3 GLU 41 7.861 -8.685 4.361 370 H ASN 42 H ASN 42 5.991 -9.269 1.969 371 HA ASN 42 HA ASN 42 6.689 -11.579 3.375 372 HB2 ASN 42 HB2 ASN 42 4.282 -10.437 2.229 373 HB3 ASN 42 HB3 ASN 42 4.300 -12.190 2.052 374 HD21 ASN 42 HD21 ASN 42 5.194 -9.795 4.520 375 HD22 ASN 42 HD22 ASN 42 4.421 -10.611 5.833 376 H SER 43 H SER 43 6.606 -10.934 -0.043 377 HA SER 43 HA SER 43 6.567 -13.634 -0.925 378 HB2 SER 43 HB2 SER 43 7.427 -11.064 -2.257 379 HB3 SER 43 HB3 SER 43 7.460 -12.623 -3.081 380 HG SER 43 HG SER 43 5.159 -12.746 -2.428 381 H ASN 44 H ASN 44 9.266 -11.379 -1.433 382 HA ASN 44 HA ASN 44 11.107 -13.593 -0.815 383 HB2 ASN 44 HB2 ASN 44 12.753 -12.237 -2.202 384 HB3 ASN 44 HB3 ASN 44 11.413 -12.966 -3.082 385 HD21 ASN 44 HD21 ASN 44 11.226 -11.582 -4.740 386 HD22 ASN 44 HD22 ASN 44 10.856 -9.902 -4.578 387 H ASP 45 H ASP 45 10.150 -10.392 0.046 388 HA ASP 45 HA ASP 45 10.753 -9.037 1.771 389 HB2 ASP 45 HB2 ASP 45 11.129 -11.486 2.808 390 HB3 ASP 45 HB3 ASP 45 12.792 -10.907 2.849 391 H ARG 46 H ARG 46 12.158 -9.052 -0.774 392 HA ARG 46 HA ARG 46 13.932 -8.051 -1.784 393 HB2 ARG 46 HB2 ARG 46 14.080 -6.801 0.953 394 HB3 ARG 46 HB3 ARG 46 15.199 -6.364 -0.331 395 HG2 ARG 46 HG2 ARG 46 12.201 -6.129 -0.506 396 HG3 ARG 46 HG3 ARG 46 13.305 -4.806 -0.124 397 HD2 ARG 46 HD2 ARG 46 13.268 -6.412 -2.677 398 HD3 ARG 46 HD3 ARG 46 12.668 -4.767 -2.478 399 HE ARG 46 HE ARG 46 15.406 -5.593 -2.770 400 HH11 ARG 46 HH11 ARG 46 13.280 -3.096 -1.575 401 HH12 ARG 46 HH12 ARG 46 14.484 -1.854 -1.664 402 HH21 ARG 46 HH21 ARG 46 16.991 -3.961 -2.888 403 HH22 ARG 46 HH22 ARG 46 16.590 -2.345 -2.409 404 H SER 47 H SER 47 15.168 -9.848 -2.222 405 HA SER 47 HA SER 47 17.489 -10.221 -0.464 406 HB2 SER 47 HB2 SER 47 15.515 -12.265 -1.329 407 HB3 SER 47 HB3 SER 47 17.212 -12.741 -1.361 408 HG SER 47 HG SER 47 16.301 -13.187 0.662 409 H GLU 48 H GLU 48 16.076 -10.906 -3.651 410 HA GLU 48 HA GLU 48 18.333 -9.891 -5.033 411 HB2 GLU 48 HB2 GLU 48 19.068 -12.009 -6.092 412 HB3 GLU 48 HB3 GLU 48 19.393 -11.958 -4.366 413 HG2 GLU 48 HG2 GLU 48 16.823 -13.162 -5.145 414 HG3 GLU 48 HG3 GLU 48 18.269 -14.046 -5.632 415 H HIS 49 H HIS 49 17.780 -9.351 -7.071 416 HA HIS 49 HA HIS 49 15.485 -10.672 -8.321 417 HB2 HIS 49 HB2 HIS 49 14.487 -8.511 -8.933 418 HB3 HIS 49 HB3 HIS 49 14.572 -8.702 -7.185 419 HD1 HIS 49 HD1 HIS 49 17.111 -7.628 -6.310 420 HD2 HIS 49 HD2 HIS 49 15.151 -5.988 -9.586 421 HE1 HIS 49 HE1 HIS 49 18.040 -5.303 -6.553 422 HE2 HIS 49 HE2 HIS 49 16.774 -4.300 -8.487 423 H HIS 50 H HIS 50 16.331 -11.460 -10.136 424 HA HIS 50 HA HIS 50 18.606 -10.429 -11.440 425 HB2 HIS 50 HB2 HIS 50 17.235 -12.769 -11.579 426 HB3 HIS 50 HB3 HIS 50 16.716 -12.004 -13.078 427 HD1 HIS 50 HD1 HIS 50 19.295 -14.107 -11.787 428 HD2 HIS 50 HD2 HIS 50 19.128 -11.082 -14.632 429 HE1 HIS 50 HE1 HIS 50 21.346 -14.409 -13.210 430 HE2 HIS 50 HE2 HIS 50 21.270 -12.512 -14.867 431 H LYS 51 H LYS 51 18.770 -9.450 -13.527 432 HA LYS 51 HA LYS 51 18.294 -7.847 -15.068 433 HB2 LYS 51 HB2 LYS 51 15.933 -9.519 -14.908 434 HB3 LYS 51 HB3 LYS 51 15.504 -7.865 -15.324 435 HG2 LYS 51 HG2 LYS 51 16.923 -7.901 -17.241 436 HG3 LYS 51 HG3 LYS 51 17.603 -9.461 -16.770 437 HD2 LYS 51 HD2 LYS 51 15.463 -10.537 -17.111 438 HD3 LYS 51 HD3 LYS 51 14.705 -8.982 -17.462 439 HE2 LYS 51 HE2 LYS 51 15.922 -8.746 -19.482 440 HE3 LYS 51 HE3 LYS 51 16.993 -10.086 -19.074 441 HZ1 LYS 51 HZ1 LYS 51 14.079 -10.368 -19.564 442 HZ2 LYS 51 HZ2 LYS 51 15.196 -11.618 -19.340 443 HZ3 LYS 51 HZ3 LYS 51 15.271 -10.656 -20.729 444 H LYS 52 H LYS 52 18.790 -5.963 -14.065 445 HA LYS 52 HA LYS 52 16.980 -4.776 -12.143 446 HB2 LYS 52 HB2 LYS 52 19.473 -3.551 -13.322 447 HB3 LYS 52 HB3 LYS 52 18.664 -3.103 -11.827 448 HG2 LYS 52 HG2 LYS 52 19.188 -5.627 -11.221 449 HG3 LYS 52 HG3 LYS 52 20.475 -5.376 -12.401 450 HD2 LYS 52 HD2 LYS 52 21.631 -4.567 -10.652 451 HD3 LYS 52 HD3 LYS 52 20.665 -3.111 -10.901 452 HE2 LYS 52 HE2 LYS 52 18.953 -4.284 -9.349 453 HE3 LYS 52 HE3 LYS 52 20.321 -5.287 -8.873 454 HZ1 LYS 52 HZ1 LYS 52 21.507 -3.099 -8.448 455 HZ2 LYS 52 HZ2 LYS 52 20.295 -3.538 -7.351 456 HZ3 LYS 52 HZ3 LYS 52 19.983 -2.371 -8.535 457 HA PRO 53 HA PRO 53 14.827 -2.216 -15.028 458 HB2 PRO 53 HB2 PRO 53 13.975 -0.236 -13.417 459 HB3 PRO 53 HB3 PRO 53 13.340 -1.881 -13.294 460 HG2 PRO 53 HG2 PRO 53 15.416 -0.523 -11.619 461 HG3 PRO 53 HG3 PRO 53 14.077 -1.568 -11.111 462 HD2 PRO 53 HD2 PRO 53 16.651 -2.440 -11.367 463 HD3 PRO 53 HD3 PRO 53 15.238 -3.491 -11.577 464 H ARG 54 H ARG 54 16.642 -1.568 -16.311 465 HA ARG 54 HA ARG 54 18.138 0.787 -15.542 466 HB2 ARG 54 HB2 ARG 54 18.234 -1.171 -17.786 467 HB3 ARG 54 HB3 ARG 54 18.919 0.423 -18.062 468 HG2 ARG 54 HG2 ARG 54 20.652 -1.074 -17.350 469 HG3 ARG 54 HG3 ARG 54 20.356 0.115 -16.080 470 HD2 ARG 54 HD2 ARG 54 18.658 -2.162 -15.690 471 HD3 ARG 54 HD3 ARG 54 20.329 -2.693 -15.868 472 HE ARG 54 HE ARG 54 19.202 -1.198 -13.683 473 HH11 ARG 54 HH11 ARG 54 22.134 -2.014 -15.389 474 HH12 ARG 54 HH12 ARG 54 23.162 -1.685 -14.037 475 HH21 ARG 54 HH21 ARG 54 20.553 -0.764 -11.902 476 HH22 ARG 54 HH22 ARG 54 22.265 -0.975 -12.056 477 H ILE 55 H ILE 55 18.447 2.399 -17.531 478 HA ILE 55 HA ILE 55 15.853 3.621 -17.886 479 HB ILE 55 HB ILE 55 18.492 4.588 -18.982 480 HG12 ILE 55 HG12 ILE 55 18.725 4.269 -16.579 481 HG13 ILE 55 HG13 ILE 55 18.626 5.990 -16.943 482 HG21 ILE 55 HG21 ILE 55 15.780 5.784 -18.627 483 HG22 ILE 55 HG22 ILE 55 16.864 5.850 -20.014 484 HG23 ILE 55 HG23 ILE 55 17.208 6.818 -18.582 485 HD11 ILE 55 HD11 ILE 55 17.026 6.138 -15.427 486 HD12 ILE 55 HD12 ILE 55 16.968 4.385 -15.243 487 HD13 ILE 55 HD13 ILE 55 15.998 5.173 -16.485 488 H ASP 56 H ASP 56 14.568 3.030 -19.498 489 HA ASP 56 HA ASP 56 15.783 2.212 -22.052 490 HB2 ASP 56 HB2 ASP 56 13.057 1.545 -20.921 491 HB3 ASP 56 HB3 ASP 56 13.660 1.022 -22.490 492 H ASP 57 H ASP 57 15.355 3.329 -23.861 493 HA ASP 57 HA ASP 57 13.012 4.910 -24.225 494 HB2 ASP 57 HB2 ASP 57 15.263 6.168 -22.951 495 HB3 ASP 57 HB3 ASP 57 15.005 6.896 -24.534 496 H SER 58 H SER 58 12.594 4.941 -26.333 497 HA SER 58 HA SER 58 14.777 5.097 -28.258 498 HB2 SER 58 HB2 SER 58 13.731 3.186 -29.570 499 HB3 SER 58 HB3 SER 58 14.582 2.728 -28.096 500 HG SER 58 HG SER 58 11.833 2.758 -28.636 501 H SER 59 H SER 59 14.261 6.642 -29.646 502 HA SER 59 HA SER 59 11.570 7.611 -29.884 503 HB2 SER 59 HB2 SER 59 13.942 8.842 -30.105 504 HB3 SER 59 HB3 SER 59 13.656 8.497 -31.810 505 HG SER 59 HG SER 59 11.770 9.774 -30.121 506 H ASP 60 H ASP 60 10.848 8.165 -32.259 507 HA ASP 60 HA ASP 60 11.351 5.930 -34.072 508 HB2 ASP 60 HB2 ASP 60 8.724 6.574 -32.786 509 HB3 ASP 60 HB3 ASP 60 8.748 5.921 -34.422 510 H LEU 61 H LEU 61 10.672 6.331 -36.254 511 HA LEU 61 HA LEU 61 10.450 9.206 -36.843 512 HB2 LEU 61 HB2 LEU 61 12.129 7.120 -37.883 513 HB3 LEU 61 HB3 LEU 61 11.163 7.796 -39.179 514 HG LEU 61 HG LEU 61 12.320 9.882 -37.526 515 HD11 LEU 61 HD11 LEU 61 14.066 8.171 -37.185 516 HD12 LEU 61 HD12 LEU 61 14.637 9.559 -38.110 517 HD13 LEU 61 HD13 LEU 61 14.254 8.049 -38.935 518 HD21 LEU 61 HD21 LEU 61 13.330 10.290 -39.953 519 HD22 LEU 61 HD22 LEU 61 11.654 10.667 -39.551 520 HD23 LEU 61 HD23 LEU 61 12.044 9.165 -40.388 521 H LEU 62 H LEU 62 9.017 6.080 -37.348 522 HA LEU 62 HA LEU 62 7.397 6.590 -39.558 523 HB2 LEU 62 HB2 LEU 62 5.858 4.860 -38.478 524 HB3 LEU 62 HB3 LEU 62 7.494 4.365 -38.867 525 HG LEU 62 HG LEU 62 7.192 5.396 -36.138 526 HD11 LEU 62 HD11 LEU 62 5.133 4.381 -35.959 527 HD12 LEU 62 HD12 LEU 62 6.216 3.072 -35.488 528 HD13 LEU 62 HD13 LEU 62 5.537 3.114 -37.115 529 HD21 LEU 62 HD21 LEU 62 8.177 2.681 -36.851 530 HD22 LEU 62 HD22 LEU 62 8.783 3.825 -35.655 531 HD23 LEU 62 HD23 LEU 62 9.112 4.083 -37.369 532 H LYS 63 H LYS 63 6.089 8.281 -39.782 533 HA LYS 63 HA LYS 63 4.461 9.119 -37.477 534 HB2 LYS 63 HB2 LYS 63 4.267 11.302 -38.620 535 HB3 LYS 63 HB3 LYS 63 5.935 10.880 -38.255 536 HG2 LYS 63 HG2 LYS 63 6.356 10.292 -40.532 537 HG3 LYS 63 HG3 LYS 63 4.648 10.465 -40.942 538 HD2 LYS 63 HD2 LYS 63 4.775 12.717 -41.066 539 HD3 LYS 63 HD3 LYS 63 5.907 12.831 -39.716 540 HE2 LYS 63 HE2 LYS 63 7.047 13.552 -41.684 541 HE3 LYS 63 HE3 LYS 63 7.688 11.969 -41.242 542 HZ1 LYS 63 HZ1 LYS 63 5.952 11.095 -42.892 543 HZ2 LYS 63 HZ2 LYS 63 7.356 11.808 -43.511 544 HZ3 LYS 63 HZ3 LYS 63 5.906 12.680 -43.482 545 H THR 64 H THR 64 3.734 6.907 -39.113 546 HA THR 64 HA THR 64 1.356 7.988 -40.479 547 HB THR 64 HB THR 64 1.393 6.042 -41.938 548 HG1 THR 64 HG1 THR 64 3.774 5.291 -40.595 549 HG21 THR 64 HG21 THR 64 3.035 8.090 -42.267 550 HG22 THR 64 HG22 THR 64 3.041 6.695 -43.347 551 HG23 THR 64 HG23 THR 64 4.244 6.821 -42.063 552 H ASP 65 H ASP 65 -0.544 7.472 -39.625 553 HA ASP 65 HA ASP 65 -0.643 5.265 -37.679 554 HB2 ASP 65 HB2 ASP 65 -2.632 6.424 -36.749 555 HB3 ASP 65 HB3 ASP 65 -1.180 7.416 -36.687 556 H GLU 66 H GLU 66 -2.776 4.143 -37.528 557 HA GLU 66 HA GLU 66 -4.209 4.027 -40.081 558 HB2 GLU 66 HB2 GLU 66 -2.310 2.186 -39.561 559 HB3 GLU 66 HB3 GLU 66 -3.682 1.423 -38.768 560 HG2 GLU 66 HG2 GLU 66 -4.940 1.453 -40.821 561 HG3 GLU 66 HG3 GLU 66 -3.655 2.345 -41.633 562 H ILE 67 H ILE 67 -4.902 5.162 -37.511 563 HA ILE 67 HA ILE 67 -6.742 3.363 -36.222 564 HB ILE 67 HB ILE 67 -7.429 5.353 -34.915 565 HG12 ILE 67 HG12 ILE 67 -5.223 7.012 -35.933 566 HG13 ILE 67 HG13 ILE 67 -6.550 6.799 -37.071 567 HG21 ILE 67 HG21 ILE 67 -5.195 3.884 -34.669 568 HG22 ILE 67 HG22 ILE 67 -5.654 5.152 -33.534 569 HG23 ILE 67 HG23 ILE 67 -4.486 5.492 -34.810 570 HD11 ILE 67 HD11 ILE 67 -8.109 7.584 -35.320 571 HD12 ILE 67 HD12 ILE 67 -6.915 8.789 -35.797 572 HD13 ILE 67 HD13 ILE 67 -6.721 7.909 -34.283 573 H1 GLY 68 H1 GLY 68 16.491 19.459 18.696 574 H2 GLY 68 H2 GLY 68 16.061 21.094 18.662 575 H3 GLY 68 H3 GLY 68 14.861 19.903 18.611 576 HA2 GLY 68 HA2 GLY 68 16.700 20.344 20.899 577 HA3 GLY 68 HA3 GLY 68 15.061 20.970 20.810 578 H HIS 69 H HIS 69 13.299 19.435 20.716 579 HA HIS 69 HA HIS 69 13.816 17.159 22.423 580 HB2 HIS 69 HB2 HIS 69 11.541 18.813 21.754 581 HB3 HIS 69 HB3 HIS 69 11.123 17.109 21.616 582 HD1 HIS 69 HD1 HIS 69 9.559 17.512 23.715 583 HD2 HIS 69 HD2 HIS 69 13.635 17.899 24.425 584 HE1 HIS 69 HE1 HIS 69 9.817 17.429 26.215 585 HE2 HIS 69 HE2 HIS 69 12.282 17.750 26.624 586 H MET 70 H MET 70 14.443 15.283 21.604 587 HA MET 70 HA MET 70 13.269 14.401 19.051 588 HB2 MET 70 HB2 MET 70 15.692 15.086 18.888 589 HB3 MET 70 HB3 MET 70 16.072 13.756 19.973 590 HG2 MET 70 HG2 MET 70 14.624 12.468 18.090 591 HG3 MET 70 HG3 MET 70 15.374 13.736 17.123 592 HE1 MET 70 HE1 MET 70 16.614 12.847 15.723 593 HE2 MET 70 HE2 MET 70 17.359 11.253 15.843 594 HE3 MET 70 HE3 MET 70 18.334 12.702 16.086 595 H MET 71 H MET 71 11.920 12.789 19.487 596 HA MET 71 HA MET 71 12.452 11.008 21.735 597 HB2 MET 71 HB2 MET 71 10.056 11.519 19.994 598 HB3 MET 71 HB3 MET 71 10.140 10.092 21.018 599 HG2 MET 71 HG2 MET 71 8.981 11.622 22.311 600 HG3 MET 71 HG3 MET 71 10.630 11.730 22.925 601 HE1 MET 71 HE1 MET 71 7.692 13.153 21.969 602 HE2 MET 71 HE2 MET 71 7.968 14.310 20.665 603 HE3 MET 71 HE3 MET 71 8.003 14.849 22.344 604 H SER 72 H SER 72 11.711 8.634 21.268 605 HA SER 72 HA SER 72 13.578 7.545 19.438 606 HB2 SER 72 HB2 SER 72 12.027 5.416 19.980 607 HB3 SER 72 HB3 SER 72 13.228 6.034 21.115 608 HG SER 72 HG SER 72 11.249 5.770 22.160 609 H LYS 73 H LYS 73 13.395 7.124 17.339 610 HA LYS 73 HA LYS 73 11.078 7.826 15.877 611 HB2 LYS 73 HB2 LYS 73 13.548 6.296 15.064 612 HB3 LYS 73 HB3 LYS 73 12.299 6.812 13.940 613 HG2 LYS 73 HG2 LYS 73 13.463 8.682 13.684 614 HG3 LYS 73 HG3 LYS 73 12.948 9.123 15.313 615 HD2 LYS 73 HD2 LYS 73 15.272 7.314 15.147 616 HD3 LYS 73 HD3 LYS 73 15.530 8.952 14.543 617 HE2 LYS 73 HE2 LYS 73 15.592 9.786 16.606 618 HE3 LYS 73 HE3 LYS 73 14.086 8.981 17.043 619 HZ1 LYS 73 HZ1 LYS 73 16.581 8.386 17.993 620 HZ2 LYS 73 HZ2 LYS 73 16.263 7.145 16.888 621 HZ3 LYS 73 HZ3 LYS 73 15.193 7.436 18.164 622 H LEU 74 H LEU 74 12.669 4.663 15.798 623 HA LEU 74 HA LEU 74 11.856 2.539 15.716 624 HB2 LEU 74 HB2 LEU 74 10.417 3.819 17.722 625 HB3 LEU 74 HB3 LEU 74 9.184 3.052 16.740 626 HG LEU 74 HG LEU 74 11.557 1.578 17.873 627 HD11 LEU 74 HD11 LEU 74 8.928 2.266 19.053 628 HD12 LEU 74 HD12 LEU 74 10.494 2.029 19.829 629 HD13 LEU 74 HD13 LEU 74 9.543 0.635 19.317 630 HD21 LEU 74 HD21 LEU 74 9.147 0.829 16.296 631 HD22 LEU 74 HD22 LEU 74 9.776 -0.313 17.483 632 HD23 LEU 74 HD23 LEU 74 10.806 0.248 16.167 633 H PHE 75 H PHE 75 11.528 4.200 13.449 634 HA PHE 75 HA PHE 75 9.498 2.698 12.065 635 HB2 PHE 75 HB2 PHE 75 8.295 4.688 13.092 636 HB3 PHE 75 HB3 PHE 75 9.256 5.707 12.025 637 HD1 PHE 75 HD1 PHE 75 9.054 5.370 9.533 638 HD2 PHE 75 HD2 PHE 75 6.354 3.633 12.327 639 HE1 PHE 75 HE1 PHE 75 7.410 5.038 7.732 640 HE2 PHE 75 HE2 PHE 75 4.706 3.297 10.532 641 HZ PHE 75 HZ PHE 75 5.233 4.000 8.231 642 H LEU 76 H LEU 76 11.546 5.604 11.794 643 HA LEU 76 HA LEU 76 12.217 4.851 9.051 644 HB2 LEU 76 HB2 LEU 76 12.450 7.342 10.672 645 HB3 LEU 76 HB3 LEU 76 13.545 7.118 9.320 646 HG LEU 76 HG LEU 76 11.228 6.583 8.077 647 HD11 LEU 76 HD11 LEU 76 10.298 8.848 9.729 648 HD12 LEU 76 HD12 LEU 76 10.216 7.246 10.461 649 HD13 LEU 76 HD13 LEU 76 9.383 7.563 8.939 650 HD21 LEU 76 HD21 LEU 76 11.251 8.940 7.326 651 HD22 LEU 76 HD22 LEU 76 12.849 8.195 7.311 652 HD23 LEU 76 HD23 LEU 76 12.408 9.308 8.608 653 H ASP 77 H ASP 77 13.239 3.536 11.608 654 HA ASP 77 HA ASP 77 16.116 3.873 11.071 655 HB2 ASP 77 HB2 ASP 77 14.693 3.071 13.612 656 HB3 ASP 77 HB3 ASP 77 16.433 2.933 13.390 657 H GLU 78 H GLU 78 13.494 1.592 11.561 658 HA GLU 78 HA GLU 78 15.162 -0.732 11.323 659 HB2 GLU 78 HB2 GLU 78 12.181 -0.300 11.345 660 HB3 GLU 78 HB3 GLU 78 12.884 -1.884 11.055 661 HG2 GLU 78 HG2 GLU 78 14.102 -1.613 13.243 662 HG3 GLU 78 HG3 GLU 78 13.091 -0.197 13.529 663 H LEU 79 H LEU 79 12.439 0.349 9.287 664 HA LEU 79 HA LEU 79 13.009 -1.208 7.075 665 HB2 LEU 79 HB2 LEU 79 11.473 0.106 5.894 666 HB3 LEU 79 HB3 LEU 79 10.954 0.221 7.562 667 HG LEU 79 HG LEU 79 12.494 2.408 7.470 668 HD11 LEU 79 HD11 LEU 79 11.670 1.853 4.644 669 HD12 LEU 79 HD12 LEU 79 13.238 2.370 5.265 670 HD13 LEU 79 HD13 LEU 79 11.886 3.502 5.231 671 HD21 LEU 79 HD21 LEU 79 9.855 2.843 6.248 672 HD22 LEU 79 HD22 LEU 79 10.548 3.513 7.723 673 HD23 LEU 79 HD23 LEU 79 9.854 1.893 7.732 674 HA PRO 80 HA PRO 80 16.373 0.321 4.667 675 HB2 PRO 80 HB2 PRO 80 14.460 1.570 2.740 676 HB3 PRO 80 HB3 PRO 80 15.852 0.528 2.425 677 HG2 PRO 80 HG2 PRO 80 13.394 -0.460 2.299 678 HG3 PRO 80 HG3 PRO 80 14.708 -1.406 3.022 679 HD2 PRO 80 HD2 PRO 80 12.470 0.052 4.342 680 HD3 PRO 80 HD3 PRO 80 13.269 -1.459 4.820 681 H GLU 81 H GLU 81 16.987 1.859 6.261 682 HA GLU 81 HA GLU 81 15.955 4.423 6.564 683 HB2 GLU 81 HB2 GLU 81 18.029 4.973 7.689 684 HB3 GLU 81 HB3 GLU 81 17.533 3.346 8.135 685 HG2 GLU 81 HG2 GLU 81 19.150 2.405 6.592 686 HG3 GLU 81 HG3 GLU 81 19.620 4.024 6.074 687 H SER 82 H SER 82 18.073 3.134 4.132 688 HA SER 82 HA SER 82 19.248 5.498 3.199 689 HB2 SER 82 HB2 SER 82 19.679 2.998 2.550 690 HB3 SER 82 HB3 SER 82 18.462 3.302 1.311 691 HG SER 82 HG SER 82 20.598 3.727 0.577 692 H LEU 83 H LEU 83 16.275 3.853 2.133 693 HA LEU 83 HA LEU 83 15.585 6.020 0.363 694 HB2 LEU 83 HB2 LEU 83 13.837 4.699 -0.381 695 HB3 LEU 83 HB3 LEU 83 15.036 3.511 0.088 696 HG LEU 83 HG LEU 83 13.731 3.479 2.354 697 HD11 LEU 83 HD11 LEU 83 11.943 4.988 0.543 698 HD12 LEU 83 HD12 LEU 83 12.104 5.055 2.297 699 HD13 LEU 83 HD13 LEU 83 11.202 3.740 1.544 700 HD21 LEU 83 HD21 LEU 83 12.423 2.250 -0.061 701 HD22 LEU 83 HD22 LEU 83 12.480 1.622 1.585 702 HD23 LEU 83 HD23 LEU 83 13.947 1.668 0.609 703 H SER 84 H SER 84 14.817 5.023 3.610 704 HA SER 84 HA SER 84 12.467 6.437 4.062 705 HB2 SER 84 HB2 SER 84 14.263 4.963 5.613 706 HB3 SER 84 HB3 SER 84 14.247 6.562 6.357 707 HG SER 84 HG SER 84 11.854 6.318 6.198 708 H ARG 85 H ARG 85 15.720 7.574 3.691 709 HA ARG 85 HA ARG 85 15.581 10.036 4.997 710 HB2 ARG 85 HB2 ARG 85 17.180 8.979 2.700 711 HB3 ARG 85 HB3 ARG 85 17.250 10.696 3.072 712 HG2 ARG 85 HG2 ARG 85 17.882 10.071 5.412 713 HG3 ARG 85 HG3 ARG 85 18.016 8.402 4.857 714 HD2 ARG 85 HD2 ARG 85 19.577 9.404 3.042 715 HD3 ARG 85 HD3 ARG 85 19.688 10.778 4.140 716 HE ARG 85 HE ARG 85 20.224 8.638 5.723 717 HH11 ARG 85 HH11 ARG 85 21.546 9.814 2.717 718 HH12 ARG 85 HH12 ARG 85 23.130 9.182 3.022 719 HH21 ARG 85 HH21 ARG 85 22.305 7.805 6.126 720 HH22 ARG 85 HH22 ARG 85 23.562 8.043 4.957 721 H LYS 86 H LYS 86 14.666 9.143 1.689 722 HA LYS 86 HA LYS 86 13.975 11.749 0.844 723 HB2 LYS 86 HB2 LYS 86 13.291 8.988 -0.118 724 HB3 LYS 86 HB3 LYS 86 12.512 10.394 -0.833 725 HG2 LYS 86 HG2 LYS 86 14.317 9.952 -2.234 726 HG3 LYS 86 HG3 LYS 86 14.870 11.288 -1.221 727 HD2 LYS 86 HD2 LYS 86 15.433 8.631 -0.120 728 HD3 LYS 86 HD3 LYS 86 16.242 8.964 -1.653 729 HE2 LYS 86 HE2 LYS 86 16.929 11.190 -0.579 730 HE3 LYS 86 HE3 LYS 86 16.458 10.445 0.948 731 HZ1 LYS 86 HZ1 LYS 86 18.231 9.081 0.933 732 HZ2 LYS 86 HZ2 LYS 86 18.901 10.270 -0.068 733 HZ3 LYS 86 HZ3 LYS 86 18.222 8.878 -0.747 734 H ILE 87 H ILE 87 12.192 9.211 2.491 735 HA ILE 87 HA ILE 87 9.627 10.413 2.247 736 HB ILE 87 HB ILE 87 10.536 8.503 4.401 737 HG12 ILE 87 HG12 ILE 87 9.395 7.892 1.664 738 HG13 ILE 87 HG13 ILE 87 11.061 7.615 2.163 739 HG21 ILE 87 HG21 ILE 87 7.965 7.883 3.881 740 HG22 ILE 87 HG22 ILE 87 7.945 9.617 3.555 741 HG23 ILE 87 HG23 ILE 87 8.469 9.023 5.131 742 HD11 ILE 87 HD11 ILE 87 8.583 6.215 3.106 743 HD12 ILE 87 HD12 ILE 87 10.128 6.092 3.948 744 HD13 ILE 87 HD13 ILE 87 9.987 5.534 2.282 745 H GLY 88 H GLY 88 12.261 10.695 4.542 746 HA2 GLY 88 HA2 GLY 88 10.897 11.961 6.641 747 HA3 GLY 88 HA3 GLY 88 12.614 12.124 6.300 748 H THR 89 H THR 89 12.482 13.332 3.778 749 HA THR 89 HA THR 89 12.137 16.031 4.508 750 HB THR 89 HB THR 89 13.708 15.264 2.757 751 HG1 THR 89 HG1 THR 89 11.761 17.166 1.979 752 HG21 THR 89 HG21 THR 89 12.348 15.236 0.419 753 HG22 THR 89 HG22 THR 89 11.253 14.337 1.466 754 HG23 THR 89 HG23 THR 89 12.921 13.800 1.269 755 H VAL 90 H VAL 90 10.035 13.711 2.958 756 HA VAL 90 HA VAL 90 8.090 15.677 2.143 757 HB VAL 90 HB VAL 90 7.722 12.686 2.335 758 HG11 VAL 90 HG11 VAL 90 6.300 14.758 0.669 759 HG12 VAL 90 HG12 VAL 90 5.659 13.998 2.125 760 HG13 VAL 90 HG13 VAL 90 5.971 13.026 0.687 761 HG21 VAL 90 HG21 VAL 90 8.667 14.313 -0.024 762 HG22 VAL 90 HG22 VAL 90 8.359 12.577 -0.007 763 HG23 VAL 90 HG23 VAL 90 9.676 13.248 0.954 764 H VAL 91 H VAL 91 8.314 13.196 4.675 765 HA VAL 91 HA VAL 91 5.811 13.560 5.837 766 HB VAL 91 HB VAL 91 8.365 12.871 7.301 767 HG11 VAL 91 HG11 VAL 91 6.853 11.669 8.833 768 HG12 VAL 91 HG12 VAL 91 5.471 12.310 7.944 769 HG13 VAL 91 HG13 VAL 91 6.548 13.406 8.809 770 HG21 VAL 91 HG21 VAL 91 8.359 10.835 6.382 771 HG22 VAL 91 HG22 VAL 91 7.277 11.511 5.165 772 HG23 VAL 91 HG23 VAL 91 6.612 10.668 6.564 773 H ARG 92 H ARG 92 8.717 15.476 6.089 774 HA ARG 92 HA ARG 92 8.223 16.899 8.425 775 HB2 ARG 92 HB2 ARG 92 9.739 17.438 5.921 776 HB3 ARG 92 HB3 ARG 92 9.425 18.799 6.986 777 HG2 ARG 92 HG2 ARG 92 10.395 17.331 8.844 778 HG3 ARG 92 HG3 ARG 92 11.011 16.319 7.536 779 HD2 ARG 92 HD2 ARG 92 12.274 18.144 6.635 780 HD3 ARG 92 HD3 ARG 92 11.530 19.279 7.760 781 HE ARG 92 HE ARG 92 12.998 18.590 9.381 782 HH11 ARG 92 HH11 ARG 92 13.084 16.322 6.729 783 HH12 ARG 92 HH12 ARG 92 14.458 15.466 7.342 784 HH21 ARG 92 HH21 ARG 92 14.804 17.463 10.188 785 HH22 ARG 92 HH22 ARG 92 15.433 16.112 9.306 786 H VAL 93 H VAL 93 6.821 17.213 5.247 787 HA VAL 93 HA VAL 93 5.548 19.740 5.792 788 HB VAL 93 HB VAL 93 4.988 17.784 3.556 789 HG11 VAL 93 HG11 VAL 93 4.100 19.769 2.394 790 HG12 VAL 93 HG12 VAL 93 4.348 20.717 3.859 791 HG13 VAL 93 HG13 VAL 93 3.194 19.383 3.856 792 HG21 VAL 93 HG21 VAL 93 6.468 19.203 2.201 793 HG22 VAL 93 HG22 VAL 93 7.326 18.439 3.538 794 HG23 VAL 93 HG23 VAL 93 6.871 20.140 3.640 795 H LEU 94 H LEU 94 4.661 16.341 5.861 796 HA LEU 94 HA LEU 94 2.174 17.068 7.225 797 HB2 LEU 94 HB2 LEU 94 2.432 15.808 4.642 798 HB3 LEU 94 HB3 LEU 94 1.595 14.752 5.761 799 HG LEU 94 HG LEU 94 0.149 16.829 6.287 800 HD11 LEU 94 HD11 LEU 94 1.683 17.691 3.902 801 HD12 LEU 94 HD12 LEU 94 1.073 18.635 5.262 802 HD13 LEU 94 HD13 LEU 94 -0.028 18.116 3.985 803 HD21 LEU 94 HD21 LEU 94 -0.116 14.685 4.546 804 HD22 LEU 94 HD22 LEU 94 -0.597 16.087 3.590 805 HD23 LEU 94 HD23 LEU 94 -1.406 15.742 5.119 806 HA PRO 95 HA PRO 95 4.678 13.745 9.407 807 HB2 PRO 95 HB2 PRO 95 4.335 15.507 11.732 808 HB3 PRO 95 HB3 PRO 95 5.813 14.799 11.075 809 HG2 PRO 95 HG2 PRO 95 5.279 17.431 10.880 810 HG3 PRO 95 HG3 PRO 95 6.163 16.550 9.620 811 HD2 PRO 95 HD2 PRO 95 3.291 17.401 9.682 812 HD3 PRO 95 HD3 PRO 95 4.450 17.440 8.338 813 H SER 96 H SER 96 1.819 15.619 10.171 814 HA SER 96 HA SER 96 0.795 13.733 12.084 815 HB2 SER 96 HB2 SER 96 -1.328 15.141 11.796 816 HB3 SER 96 HB3 SER 96 0.096 15.968 12.429 817 HG SER 96 HG SER 96 -0.269 17.300 10.844 818 H SER 97 H SER 97 0.272 14.461 8.667 819 HA SER 97 HA SER 97 -1.946 12.741 8.307 820 HB2 SER 97 HB2 SER 97 -1.458 14.475 6.679 821 HB3 SER 97 HB3 SER 97 0.102 13.739 6.318 822 HG SER 97 HG SER 97 -1.174 12.954 4.761 823 H LEU 98 H LEU 98 1.507 12.228 8.311 824 HA LEU 98 HA LEU 98 1.628 9.758 7.015 825 HB2 LEU 98 HB2 LEU 98 3.737 10.508 7.328 826 HB3 LEU 98 HB3 LEU 98 3.338 11.316 8.831 827 HG LEU 98 HG LEU 98 3.474 9.161 10.017 828 HD11 LEU 98 HD11 LEU 98 3.326 7.257 8.892 829 HD12 LEU 98 HD12 LEU 98 4.900 7.586 8.168 830 HD13 LEU 98 HD13 LEU 98 3.428 8.117 7.356 831 HD21 LEU 98 HD21 LEU 98 5.886 8.937 9.934 832 HD22 LEU 98 HD22 LEU 98 5.431 10.637 9.848 833 HD23 LEU 98 HD23 LEU 98 5.934 9.785 8.388 834 H GLU 99 H GLU 99 0.680 10.611 10.267 835 HA GLU 99 HA GLU 99 0.846 8.080 11.465 836 HB2 GLU 99 HB2 GLU 99 -0.402 10.653 12.070 837 HB3 GLU 99 HB3 GLU 99 -1.322 9.288 12.686 838 HG2 GLU 99 HG2 GLU 99 0.360 8.621 14.109 839 HG3 GLU 99 HG3 GLU 99 1.616 9.430 13.172 840 H ILE 100 H ILE 100 -1.529 9.498 9.339 841 HA ILE 100 HA ILE 100 -3.609 7.622 9.818 842 HB ILE 100 HB ILE 100 -3.141 9.213 7.295 843 HG12 ILE 100 HG12 ILE 100 -4.749 9.997 9.734 844 HG13 ILE 100 HG13 ILE 100 -3.148 10.625 9.358 845 HG21 ILE 100 HG21 ILE 100 -5.396 8.865 6.787 846 HG22 ILE 100 HG22 ILE 100 -5.775 8.331 8.425 847 HG23 ILE 100 HG23 ILE 100 -4.832 7.294 7.356 848 HD11 ILE 100 HD11 ILE 100 -5.125 12.072 8.739 849 HD12 ILE 100 HD12 ILE 100 -5.459 10.898 7.468 850 HD13 ILE 100 HD13 ILE 100 -3.932 11.781 7.473 851 H PHE 101 H PHE 101 -1.102 7.873 7.310 852 HA PHE 101 HA PHE 101 -1.852 5.517 5.930 853 HB2 PHE 101 HB2 PHE 101 0.841 6.896 6.010 854 HB3 PHE 101 HB3 PHE 101 0.322 5.714 4.814 855 HD1 PHE 101 HD1 PHE 101 -2.071 6.390 3.728 856 HD2 PHE 101 HD2 PHE 101 0.810 9.076 5.337 857 HE1 PHE 101 HE1 PHE 101 -2.992 8.201 2.340 858 HE2 PHE 101 HE2 PHE 101 -0.106 10.894 3.954 859 HZ PHE 101 HZ PHE 101 -2.009 10.456 2.453 860 H GLU 102 H GLU 102 0.091 6.114 8.749 861 HA GLU 102 HA GLU 102 1.661 3.817 8.825 862 HB2 GLU 102 HB2 GLU 102 1.974 5.666 10.383 863 HB3 GLU 102 HB3 GLU 102 0.407 5.348 11.114 864 HG2 GLU 102 HG2 GLU 102 1.272 3.094 11.770 865 HG3 GLU 102 HG3 GLU 102 2.862 3.616 11.220 866 H GLU 103 H GLU 103 -1.589 4.347 10.172 867 HA GLU 103 HA GLU 103 -1.882 1.652 11.060 868 HB2 GLU 103 HB2 GLU 103 -3.110 3.617 12.014 869 HB3 GLU 103 HB3 GLU 103 -4.059 3.681 10.535 870 HG2 GLU 103 HG2 GLU 103 -4.034 1.039 11.751 871 HG3 GLU 103 HG3 GLU 103 -4.694 2.284 12.810 872 H LEU 104 H LEU 104 -2.315 3.255 8.045 873 HA LEU 104 HA LEU 104 -4.210 1.467 6.905 874 HB2 LEU 104 HB2 LEU 104 -3.401 3.867 6.174 875 HB3 LEU 104 HB3 LEU 104 -2.235 2.955 5.235 876 HG LEU 104 HG LEU 104 -5.231 2.642 5.029 877 HD11 LEU 104 HD11 LEU 104 -3.295 4.035 3.184 878 HD12 LEU 104 HD12 LEU 104 -4.482 4.825 4.221 879 HD13 LEU 104 HD13 LEU 104 -5.020 3.794 2.896 880 HD21 LEU 104 HD21 LEU 104 -4.545 0.642 4.225 881 HD22 LEU 104 HD22 LEU 104 -2.918 1.220 3.865 882 HD23 LEU 104 HD23 LEU 104 -4.249 1.595 2.771 883 H TYR 105 H TYR 105 -0.667 1.754 6.601 884 HA TYR 105 HA TYR 105 -0.364 -0.486 4.920 885 HB2 TYR 105 HB2 TYR 105 1.940 -0.188 5.147 886 HB3 TYR 105 HB3 TYR 105 1.310 1.425 5.449 887 HD1 TYR 105 HD1 TYR 105 2.431 -1.654 7.234 888 HD2 TYR 105 HD2 TYR 105 1.930 2.567 7.368 889 HE1 TYR 105 HE1 TYR 105 3.637 -1.586 9.377 890 HE2 TYR 105 HE2 TYR 105 3.131 2.648 9.513 891 HH TYR 105 HH TYR 105 3.533 0.876 11.466 892 H LYS 106 H LYS 106 -0.399 -0.132 8.417 893 HA LYS 106 HA LYS 106 0.517 -2.703 9.087 894 HB2 LYS 106 HB2 LYS 106 0.153 -0.649 10.601 895 HB3 LYS 106 HB3 LYS 106 -1.516 -1.190 10.709 896 HG2 LYS 106 HG2 LYS 106 -0.969 -3.081 11.904 897 HG3 LYS 106 HG3 LYS 106 0.694 -3.098 11.317 898 HD2 LYS 106 HD2 LYS 106 1.056 -2.328 13.436 899 HD3 LYS 106 HD3 LYS 106 0.787 -0.789 12.614 900 HE2 LYS 106 HE2 LYS 106 -1.147 -0.411 13.693 901 HE3 LYS 106 HE3 LYS 106 -1.654 -2.095 13.577 902 HZ1 LYS 106 HZ1 LYS 106 0.288 -0.994 15.536 903 HZ2 LYS 106 HZ2 LYS 106 -0.162 -2.621 15.416 904 HZ3 LYS 106 HZ3 LYS 106 -1.303 -1.459 15.869 905 H TYR 107 H TYR 107 -2.618 -1.504 8.119 906 HA TYR 107 HA TYR 107 -4.217 -3.649 8.945 907 HB2 TYR 107 HB2 TYR 107 -5.203 -1.569 8.183 908 HB3 TYR 107 HB3 TYR 107 -4.518 -1.789 6.576 909 HD1 TYR 107 HD1 TYR 107 -5.407 -3.574 5.092 910 HD2 TYR 107 HD2 TYR 107 -7.241 -2.636 8.815 911 HE1 TYR 107 HE1 TYR 107 -7.445 -4.748 4.377 912 HE2 TYR 107 HE2 TYR 107 -9.284 -3.809 8.110 913 HH TYR 107 HH TYR 107 -9.957 -4.615 4.991 914 H ALA 108 H ALA 108 -2.546 -3.089 5.857 915 HA ALA 108 HA ALA 108 -3.357 -5.574 4.716 916 HB1 ALA 108 HB1 ALA 108 -2.831 -4.129 3.043 917 HB2 ALA 108 HB2 ALA 108 -1.271 -4.940 3.191 918 HB3 ALA 108 HB3 ALA 108 -1.525 -3.371 3.956 919 H LEU 109 H LEU 109 -0.677 -4.540 6.690 920 HA LEU 109 HA LEU 109 1.160 -6.570 6.176 921 HB2 LEU 109 HB2 LEU 109 0.775 -4.519 8.148 922 HB3 LEU 109 HB3 LEU 109 1.285 -5.998 8.939 923 HG LEU 109 HG LEU 109 2.757 -4.714 6.638 924 HD11 LEU 109 HD11 LEU 109 4.407 -4.420 8.726 925 HD12 LEU 109 HD12 LEU 109 2.858 -4.267 9.555 926 HD13 LEU 109 HD13 LEU 109 3.257 -3.183 8.222 927 HD21 LEU 109 HD21 LEU 109 3.026 -7.176 6.944 928 HD22 LEU 109 HD22 LEU 109 3.654 -6.854 8.561 929 HD23 LEU 109 HD23 LEU 109 4.516 -6.254 7.145 930 H ASN 110 H ASN 110 -1.508 -6.468 8.514 931 HA ASN 110 HA ASN 110 -0.995 -9.097 9.518 932 HB2 ASN 110 HB2 ASN 110 -2.249 -7.115 10.652 933 HB3 ASN 110 HB3 ASN 110 -3.649 -7.714 9.767 934 HD21 ASN 110 HD21 ASN 110 -4.346 -7.902 12.089 935 HD22 ASN 110 HD22 ASN 110 -4.035 -9.409 12.874 936 H GLU 111 H GLU 111 -2.941 -7.741 6.961 937 HA GLU 111 HA GLU 111 -4.722 -9.849 6.526 938 HB2 GLU 111 HB2 GLU 111 -4.240 -7.415 5.350 939 HB3 GLU 111 HB3 GLU 111 -3.757 -8.535 4.084 940 HG2 GLU 111 HG2 GLU 111 -5.962 -8.260 3.582 941 HG3 GLU 111 HG3 GLU 111 -6.049 -9.668 4.639 942 H ASN 112 H ASN 112 -1.349 -9.517 5.751 943 HA ASN 112 HA ASN 112 -1.064 -11.381 3.711 944 HB2 ASN 112 HB2 ASN 112 0.700 -10.191 5.756 945 HB3 ASN 112 HB3 ASN 112 1.246 -11.731 5.100 946 HD21 ASN 112 HD21 ASN 112 2.272 -8.967 4.811 947 HD22 ASN 112 HD22 ASN 112 2.370 -8.698 3.107 948 H SER 113 H SER 113 -1.780 -11.865 7.052 949 HA SER 113 HA SER 113 -0.817 -14.426 7.509 950 HB2 SER 113 HB2 SER 113 -1.858 -12.986 9.238 951 HB3 SER 113 HB3 SER 113 -3.435 -13.275 8.505 952 HG SER 113 HG SER 113 -3.497 -15.178 9.407 953 H ASN 114 H ASN 114 -3.554 -13.373 5.621 954 HA ASN 114 HA ASN 114 -3.762 -15.834 4.258 955 HB2 ASN 114 HB2 ASN 114 -6.072 -16.447 5.036 956 HB3 ASN 114 HB3 ASN 114 -4.809 -16.701 6.237 957 HD21 ASN 114 HD21 ASN 114 -5.472 -16.193 8.182 958 HD22 ASN 114 HD22 ASN 114 -6.502 -14.870 8.600 959 H ASP 115 H ASP 115 -5.252 -15.762 2.523 960 HA ASP 115 HA ASP 115 -6.607 -13.183 2.127 961 HB2 ASP 115 HB2 ASP 115 -4.677 -14.567 0.286 962 HB3 ASP 115 HB3 ASP 115 -5.919 -13.497 -0.359 963 H ARG 116 H ARG 116 -8.026 -13.372 0.032 964 HA ARG 116 HA ARG 116 -9.887 -14.264 -0.922 965 HB2 ARG 116 HB2 ARG 116 -8.055 -16.584 -0.639 966 HB3 ARG 116 HB3 ARG 116 -9.742 -16.943 -0.984 967 HG2 ARG 116 HG2 ARG 116 -8.487 -14.860 -2.654 968 HG3 ARG 116 HG3 ARG 116 -7.900 -16.510 -2.879 969 HD2 ARG 116 HD2 ARG 116 -10.776 -16.465 -2.715 970 HD3 ARG 116 HD3 ARG 116 -10.208 -15.358 -3.964 971 HE ARG 116 HE ARG 116 -10.210 -18.188 -4.086 972 HH11 ARG 116 HH11 ARG 116 -8.337 -15.397 -5.025 973 HH12 ARG 116 HH12 ARG 116 -7.609 -16.187 -6.384 974 HH21 ARG 116 HH21 ARG 116 -9.254 -19.229 -5.873 975 HH22 ARG 116 HH22 ARG 116 -8.130 -18.361 -6.866 976 H SER 117 H SER 117 -11.673 -13.977 0.240 977 HA SER 117 HA SER 117 -12.777 -16.027 1.823 978 HB2 SER 117 HB2 SER 117 -11.227 -13.929 3.242 979 HB3 SER 117 HB3 SER 117 -12.792 -14.357 3.933 980 HG SER 117 HG SER 117 -11.095 -15.659 4.755 981 H GLU 118 H GLU 118 -12.685 -12.548 1.204 982 HA GLU 118 HA GLU 118 -15.532 -12.281 1.681 983 HB2 GLU 118 HB2 GLU 118 -13.461 -10.547 1.965 984 HB3 GLU 118 HB3 GLU 118 -14.077 -10.059 0.392 985 HG2 GLU 118 HG2 GLU 118 -15.630 -8.865 1.412 986 HG3 GLU 118 HG3 GLU 118 -16.319 -10.355 2.055 987 H HIS 119 H HIS 119 -17.036 -11.556 0.094 988 HA HIS 119 HA HIS 119 -16.819 -12.900 -2.384 989 HB2 HIS 119 HB2 HIS 119 -18.782 -10.873 -1.321 990 HB3 HIS 119 HB3 HIS 119 -18.928 -11.565 -2.933 991 HD1 HIS 119 HD1 HIS 119 -17.728 -14.335 -1.288 992 HD2 HIS 119 HD2 HIS 119 -21.344 -12.303 -1.032 993 HE1 HIS 119 HE1 HIS 119 -19.362 -15.989 -0.326 994 HE2 HIS 119 HE2 HIS 119 -21.563 -14.763 -0.260 995 H HIS 120 H HIS 120 -16.298 -12.206 -4.397 996 HA HIS 120 HA HIS 120 -14.981 -9.611 -4.579 997 HB2 HIS 120 HB2 HIS 120 -14.597 -12.189 -5.785 998 HB3 HIS 120 HB3 HIS 120 -14.814 -10.984 -7.051 999 HD1 HIS 120 HD1 HIS 120 -12.332 -11.159 -7.749 1000 HD2 HIS 120 HD2 HIS 120 -12.909 -9.942 -3.818 1001 HE1 HIS 120 HE1 HIS 120 -10.097 -10.306 -6.975 1002 HE2 HIS 120 HE2 HIS 120 -10.450 -9.656 -4.567 1003 H LYS 121 H LYS 121 -16.210 -7.936 -5.122 1004 HA LYS 121 HA LYS 121 -17.710 -6.616 -6.205 1005 HB2 LYS 121 HB2 LYS 121 -16.897 -8.606 -8.234 1006 HB3 LYS 121 HB3 LYS 121 -18.391 -7.743 -8.574 1007 HG2 LYS 121 HG2 LYS 121 -17.196 -5.610 -8.312 1008 HG3 LYS 121 HG3 LYS 121 -15.698 -6.505 -8.042 1009 HD2 LYS 121 HD2 LYS 121 -16.225 -7.622 -10.308 1010 HD3 LYS 121 HD3 LYS 121 -17.331 -6.268 -10.545 1011 HE2 LYS 121 HE2 LYS 121 -15.076 -5.902 -11.525 1012 HE3 LYS 121 HE3 LYS 121 -15.537 -4.689 -10.329 1013 HZ1 LYS 121 HZ1 LYS 121 -13.198 -5.942 -10.316 1014 HZ2 LYS 121 HZ2 LYS 121 -14.075 -6.986 -9.316 1015 HZ3 LYS 121 HZ3 LYS 121 -13.935 -5.349 -8.914 1016 H LYS 122 H LYS 122 -19.945 -6.833 -7.527 1017 HA LYS 122 HA LYS 122 -22.154 -7.344 -7.376 1018 HB2 LYS 122 HB2 LYS 122 -20.916 -10.024 -6.802 1019 HB3 LYS 122 HB3 LYS 122 -22.661 -9.805 -6.800 1020 HG2 LYS 122 HG2 LYS 122 -22.455 -8.904 -9.131 1021 HG3 LYS 122 HG3 LYS 122 -20.765 -9.411 -9.099 1022 HD2 LYS 122 HD2 LYS 122 -22.981 -11.330 -8.461 1023 HD3 LYS 122 HD3 LYS 122 -22.499 -11.009 -10.128 1024 HE2 LYS 122 HE2 LYS 122 -21.111 -12.757 -9.714 1025 HE3 LYS 122 HE3 LYS 122 -20.089 -11.464 -9.092 1026 HZ1 LYS 122 HZ1 LYS 122 -20.354 -12.150 -6.979 1027 HZ2 LYS 122 HZ2 LYS 122 -20.708 -13.639 -7.702 1028 HZ3 LYS 122 HZ3 LYS 122 -21.964 -12.624 -7.200 1029 HA PRO 123 HA PRO 123 -21.776 -6.676 -2.718 1030 HB2 PRO 123 HB2 PRO 123 -23.492 -4.385 -3.506 1031 HB3 PRO 123 HB3 PRO 123 -22.109 -4.431 -2.406 1032 HG2 PRO 123 HG2 PRO 123 -21.893 -3.342 -4.830 1033 HG3 PRO 123 HG3 PRO 123 -20.565 -4.285 -4.127 1034 HD2 PRO 123 HD2 PRO 123 -22.552 -5.069 -6.222 1035 HD3 PRO 123 HD3 PRO 123 -20.822 -5.453 -6.107 1036 H ARG 124 H ARG 124 -23.100 -8.623 -2.687 1037 HA ARG 124 HA ARG 124 -25.926 -7.973 -2.245 1038 HB2 ARG 124 HB2 ARG 124 -24.805 -9.937 -4.161 1039 HB3 ARG 124 HB3 ARG 124 -26.185 -10.475 -3.213 1040 HG2 ARG 124 HG2 ARG 124 -26.681 -7.847 -4.245 1041 HG3 ARG 124 HG3 ARG 124 -26.198 -8.931 -5.551 1042 HD2 ARG 124 HD2 ARG 124 -27.917 -10.527 -4.247 1043 HD3 ARG 124 HD3 ARG 124 -28.613 -8.958 -3.847 1044 HE ARG 124 HE ARG 124 -28.084 -9.080 -6.610 1045 HH11 ARG 124 HH11 ARG 124 -30.254 -10.404 -4.219 1046 HH12 ARG 124 HH12 ARG 124 -31.551 -10.637 -5.341 1047 HH21 ARG 124 HH21 ARG 124 -29.789 -9.385 -8.089 1048 HH22 ARG 124 HH22 ARG 124 -31.287 -10.059 -7.539 1049 H ILE 125 H ILE 125 -25.992 -8.206 -0.083 1050 HA ILE 125 HA ILE 125 -25.908 -10.799 1.052 1051 HB ILE 125 HB ILE 125 -23.486 -10.438 0.944 1052 HG12 ILE 125 HG12 ILE 125 -23.946 -10.117 3.845 1053 HG13 ILE 125 HG13 ILE 125 -24.910 -11.369 3.067 1054 HG21 ILE 125 HG21 ILE 125 -22.922 -8.559 2.888 1055 HG22 ILE 125 HG22 ILE 125 -24.226 -7.821 1.956 1056 HG23 ILE 125 HG23 ILE 125 -22.751 -8.345 1.145 1057 HD11 ILE 125 HD11 ILE 125 -22.630 -11.990 4.080 1058 HD12 ILE 125 HD12 ILE 125 -21.958 -11.237 2.634 1059 HD13 ILE 125 HD13 ILE 125 -23.051 -12.614 2.485 1060 H ASP 126 H ASP 126 -28.021 -9.447 1.229 1061 HA ASP 126 HA ASP 126 -28.010 -8.135 3.866 1062 HB2 ASP 126 HB2 ASP 126 -28.439 -6.688 1.720 1063 HB3 ASP 126 HB3 ASP 126 -30.042 -7.414 1.786 1064 H ASP 127 H ASP 127 -30.427 -9.359 1.541 1065 HA ASP 127 HA ASP 127 -31.290 -11.423 3.336 1066 HB2 ASP 127 HB2 ASP 127 -33.547 -10.586 3.728 1067 HB3 ASP 127 HB3 ASP 127 -32.364 -9.449 4.363 1068 H SER 128 H SER 128 -33.775 -11.978 2.387 1069 HA SER 128 HA SER 128 -34.904 -12.943 0.667 1070 HB2 SER 128 HB2 SER 128 -33.572 -10.625 -0.604 1071 HB3 SER 128 HB3 SER 128 -34.118 -11.891 -1.703 1072 HG SER 128 HG SER 128 -35.650 -10.373 0.127 1073 H SER 129 H SER 129 -34.082 -14.992 0.817 1074 HA SER 129 HA SER 129 -31.842 -15.625 -0.991 1075 HB2 SER 129 HB2 SER 129 -31.722 -17.715 0.648 1076 HB3 SER 129 HB3 SER 129 -30.908 -16.198 1.033 1077 HG SER 129 HG SER 129 -33.512 -16.906 1.916 1078 H ASP 130 H ASP 130 -34.666 -15.518 -1.651 1079 HA ASP 130 HA ASP 130 -35.483 -18.299 -1.885 1080 HB2 ASP 130 HB2 ASP 130 -36.782 -15.656 -2.274 1081 HB3 ASP 130 HB3 ASP 130 -37.380 -16.986 -3.262 1082 H LEU 131 H LEU 131 -35.979 -19.285 -3.915 1083 HA LEU 131 HA LEU 131 -35.496 -19.920 -6.045 1084 HB2 LEU 131 HB2 LEU 131 -35.248 -16.935 -6.419 1085 HB3 LEU 131 HB3 LEU 131 -35.238 -18.098 -7.733 1086 HG LEU 131 HG LEU 131 -37.554 -18.078 -5.847 1087 HD11 LEU 131 HD11 LEU 131 -36.820 -15.929 -7.736 1088 HD12 LEU 131 HD12 LEU 131 -37.798 -15.869 -6.270 1089 HD13 LEU 131 HD13 LEU 131 -38.495 -16.479 -7.770 1090 HD21 LEU 131 HD21 LEU 131 -37.652 -19.827 -7.391 1091 HD22 LEU 131 HD22 LEU 131 -37.051 -18.823 -8.709 1092 HD23 LEU 131 HD23 LEU 131 -38.685 -18.581 -8.092 1093 H LEU 132 H LEU 132 -33.749 -19.712 -7.829 1094 HA LEU 132 HA LEU 132 -31.570 -19.986 -8.416 1095 HB2 LEU 132 HB2 LEU 132 -31.706 -17.491 -7.543 1096 HB3 LEU 132 HB3 LEU 132 -30.674 -18.117 -6.272 1097 HG LEU 132 HG LEU 132 -29.730 -18.887 -8.915 1098 HD11 LEU 132 HD11 LEU 132 -29.295 -16.860 -9.895 1099 HD12 LEU 132 HD12 LEU 132 -29.440 -15.971 -8.378 1100 HD13 LEU 132 HD13 LEU 132 -30.887 -16.558 -9.198 1101 HD21 LEU 132 HD21 LEU 132 -28.682 -18.579 -6.421 1102 HD22 LEU 132 HD22 LEU 132 -28.110 -17.121 -7.230 1103 HD23 LEU 132 HD23 LEU 132 -27.738 -18.708 -7.904 1104 H LYS 133 H LYS 133 -32.730 -21.655 -6.331 1105 HA LYS 133 HA LYS 133 -30.305 -22.891 -5.416 1106 HB2 LYS 133 HB2 LYS 133 -31.897 -21.208 -3.611 1107 HB3 LYS 133 HB3 LYS 133 -31.589 -22.823 -2.990 1108 HG2 LYS 133 HG2 LYS 133 -29.287 -21.349 -4.126 1109 HG3 LYS 133 HG3 LYS 133 -29.933 -20.792 -2.581 1110 HD2 LYS 133 HD2 LYS 133 -29.117 -22.564 -1.477 1111 HD3 LYS 133 HD3 LYS 133 -29.620 -23.693 -2.737 1112 HE2 LYS 133 HE2 LYS 133 -27.583 -22.383 -3.970 1113 HE3 LYS 133 HE3 LYS 133 -27.032 -22.377 -2.296 1114 HZ1 LYS 133 HZ1 LYS 133 -26.234 -24.383 -2.904 1115 HZ2 LYS 133 HZ2 LYS 133 -27.379 -24.612 -4.130 1116 HZ3 LYS 133 HZ3 LYS 133 -27.798 -24.897 -2.516 1117 H THR 134 H THR 134 -32.618 -23.536 -7.066 1118 HA THR 134 HA THR 134 -33.409 -25.997 -5.687 1119 HB THR 134 HB THR 134 -35.285 -24.488 -5.375 1120 HG1 THR 134 HG1 THR 134 -35.849 -26.327 -7.457 1121 HG21 THR 134 HG21 THR 134 -36.510 -23.489 -7.159 1122 HG22 THR 134 HG22 THR 134 -35.454 -24.227 -8.364 1123 HG23 THR 134 HG23 THR 134 -34.825 -22.979 -7.286 1124 H ASP 135 H ASP 135 -33.459 -24.199 -8.751 1125 HA ASP 135 HA ASP 135 -32.782 -26.707 -10.130 1126 HB2 ASP 135 HB2 ASP 135 -34.770 -24.620 -11.050 1127 HB3 ASP 135 HB3 ASP 135 -34.181 -25.943 -12.053 1128 H GLU 136 H GLU 136 -30.961 -24.757 -9.228 1129 HA GLU 136 HA GLU 136 -29.894 -23.854 -11.806 1130 HB2 GLU 136 HB2 GLU 136 -31.000 -22.098 -9.983 1131 HB3 GLU 136 HB3 GLU 136 -29.282 -22.019 -9.612 1132 HG2 GLU 136 HG2 GLU 136 -30.071 -21.853 -12.461 1133 HG3 GLU 136 HG3 GLU 136 -30.430 -20.468 -11.430 1134 H ILE 137 H ILE 137 -28.373 -25.494 -11.806 1135 HA ILE 137 HA ILE 137 -26.357 -26.464 -11.392 1136 HB ILE 137 HB ILE 137 -25.803 -24.135 -9.557 1137 HG12 ILE 137 HG12 ILE 137 -24.972 -24.268 -12.442 1138 HG13 ILE 137 HG13 ILE 137 -26.551 -23.628 -11.997 1139 HG21 ILE 137 HG21 ILE 137 -24.347 -26.373 -9.851 1140 HG22 ILE 137 HG22 ILE 137 -23.645 -24.791 -9.503 1141 HG23 ILE 137 HG23 ILE 137 -23.676 -25.399 -11.160 1142 HD11 ILE 137 HD11 ILE 137 -23.883 -22.455 -11.700 1143 HD12 ILE 137 HD12 ILE 137 -24.958 -22.240 -10.318 1144 HD13 ILE 137 HD13 ILE 137 -25.453 -21.680 -11.916 Start of MODEL 20 1 H1 GLY -2 H1 GLY -2 2.501 4.067 -15.746 2 H2 GLY -2 H2 GLY -2 3.793 3.911 -14.666 3 H3 GLY -2 H3 GLY -2 4.060 3.763 -16.330 4 HA2 GLY -2 HA2 GLY -2 4.691 5.957 -15.189 5 HA3 GLY -2 HA3 GLY -2 3.857 6.004 -16.735 6 H HIS -1 H HIS -1 1.720 6.696 -16.831 7 HA HIS -1 HA HIS -1 0.774 8.045 -14.393 8 HB2 HIS -1 HB2 HIS -1 0.451 8.704 -17.313 9 HB3 HIS -1 HB3 HIS -1 -0.603 9.406 -16.090 10 HD1 HIS -1 HD1 HIS -1 0.266 11.787 -16.402 11 HD2 HIS -1 HD2 HIS -1 3.240 9.052 -15.430 12 HE1 HIS -1 HE1 HIS -1 2.294 13.167 -15.850 13 HE2 HIS -1 HE2 HIS -1 4.104 11.487 -15.349 14 H MET 0 H MET 0 0.305 5.248 -15.020 15 HA MET 0 HA MET 0 -2.635 5.322 -15.176 16 HB2 MET 0 HB2 MET 0 -0.696 3.617 -16.649 17 HB3 MET 0 HB3 MET 0 -2.171 2.845 -16.082 18 HG2 MET 0 HG2 MET 0 -2.501 5.418 -17.481 19 HG3 MET 0 HG3 MET 0 -1.942 4.061 -18.456 20 HE1 MET 0 HE1 MET 0 -4.533 5.139 -15.789 21 HE2 MET 0 HE2 MET 0 -6.049 4.638 -16.540 22 HE3 MET 0 HE3 MET 0 -5.065 5.893 -17.291 23 H MET 1 H MET 1 -0.054 2.985 -14.387 24 HA MET 1 HA MET 1 -1.579 1.680 -12.390 25 HB2 MET 1 HB2 MET 1 1.178 1.542 -13.423 26 HB3 MET 1 HB3 MET 1 0.993 1.046 -11.747 27 HG2 MET 1 HG2 MET 1 -0.997 -0.361 -12.730 28 HG3 MET 1 HG3 MET 1 -0.077 -0.192 -14.225 29 HE1 MET 1 HE1 MET 1 2.305 -2.728 -14.277 30 HE2 MET 1 HE2 MET 1 1.007 -1.774 -14.996 31 HE3 MET 1 HE3 MET 1 0.637 -3.290 -14.175 32 H SER 2 H SER 2 -0.150 1.391 -10.159 33 HA SER 2 HA SER 2 0.299 2.305 -8.126 34 HB2 SER 2 HB2 SER 2 1.455 4.269 -10.031 35 HB3 SER 2 HB3 SER 2 1.226 4.819 -8.371 36 HG SER 2 HG SER 2 2.938 3.722 -7.886 37 H LYS 3 H LYS 3 -2.338 2.572 -9.301 38 HA LYS 3 HA LYS 3 -3.263 4.921 -7.784 39 HB2 LYS 3 HB2 LYS 3 -4.220 3.925 -10.465 40 HB3 LYS 3 HB3 LYS 3 -5.168 5.020 -9.470 41 HG2 LYS 3 HG2 LYS 3 -2.455 5.964 -9.798 42 HG3 LYS 3 HG3 LYS 3 -3.254 5.711 -11.350 43 HD2 LYS 3 HD2 LYS 3 -5.231 6.958 -10.043 44 HD3 LYS 3 HD3 LYS 3 -3.848 7.653 -9.196 45 HE2 LYS 3 HE2 LYS 3 -4.107 9.144 -10.929 46 HE3 LYS 3 HE3 LYS 3 -2.925 8.027 -11.610 47 HZ1 LYS 3 HZ1 LYS 3 -5.835 7.718 -12.059 48 HZ2 LYS 3 HZ2 LYS 3 -4.563 6.997 -12.913 49 HZ3 LYS 3 HZ3 LYS 3 -4.861 8.654 -13.076 50 H LEU 4 H LEU 4 -5.880 4.617 -7.686 51 HA LEU 4 HA LEU 4 -7.586 3.513 -6.670 52 HB2 LEU 4 HB2 LEU 4 -6.192 1.376 -8.181 53 HB3 LEU 4 HB3 LEU 4 -7.312 0.856 -6.936 54 HG LEU 4 HG LEU 4 -9.056 2.313 -8.052 55 HD11 LEU 4 HD11 LEU 4 -7.541 2.180 -10.575 56 HD12 LEU 4 HD12 LEU 4 -7.005 3.393 -9.413 57 HD13 LEU 4 HD13 LEU 4 -8.671 3.400 -9.988 58 HD21 LEU 4 HD21 LEU 4 -8.259 0.330 -10.080 59 HD22 LEU 4 HD22 LEU 4 -9.780 0.518 -9.208 60 HD23 LEU 4 HD23 LEU 4 -8.409 -0.274 -8.429 61 H PHE 5 H PHE 5 -5.972 4.384 -4.862 62 HA PHE 5 HA PHE 5 -5.170 2.145 -3.140 63 HB2 PHE 5 HB2 PHE 5 -3.424 3.801 -3.572 64 HB3 PHE 5 HB3 PHE 5 -4.474 5.086 -2.984 65 HD1 PHE 5 HD1 PHE 5 -3.836 1.709 -1.562 66 HD2 PHE 5 HD2 PHE 5 -3.413 5.919 -1.102 67 HE1 PHE 5 HE1 PHE 5 -2.968 1.370 0.715 68 HE2 PHE 5 HE2 PHE 5 -2.544 5.587 1.176 69 HZ PHE 5 HZ PHE 5 -2.320 3.310 2.087 70 H LEU 6 H LEU 6 -7.059 5.136 -3.152 71 HA LEU 6 HA LEU 6 -7.982 4.895 -0.478 72 HB2 LEU 6 HB2 LEU 6 -9.221 6.392 -2.788 73 HB3 LEU 6 HB3 LEU 6 -9.605 6.621 -1.094 74 HG LEU 6 HG LEU 6 -6.982 7.110 -0.970 75 HD11 LEU 6 HD11 LEU 6 -6.703 8.653 -3.112 76 HD12 LEU 6 HD12 LEU 6 -7.735 7.410 -3.820 77 HD13 LEU 6 HD13 LEU 6 -6.191 6.965 -3.094 78 HD21 LEU 6 HD21 LEU 6 -8.528 9.389 -2.029 79 HD22 LEU 6 HD22 LEU 6 -7.603 9.237 -0.536 80 HD23 LEU 6 HD23 LEU 6 -9.225 8.553 -0.640 81 H ASP 7 H ASP 7 -9.088 3.662 -3.551 82 HA ASP 7 HA ASP 7 -11.700 2.926 -2.718 83 HB2 ASP 7 HB2 ASP 7 -10.002 2.520 -5.080 84 HB3 ASP 7 HB3 ASP 7 -11.112 1.190 -4.762 85 H GLU 8 H GLU 8 -8.575 1.324 -2.666 86 HA GLU 8 HA GLU 8 -9.416 -1.284 -2.109 87 HB2 GLU 8 HB2 GLU 8 -7.098 -0.648 -2.713 88 HB3 GLU 8 HB3 GLU 8 -6.908 0.093 -1.129 89 HG2 GLU 8 HG2 GLU 8 -5.946 -1.924 -0.734 90 HG3 GLU 8 HG3 GLU 8 -7.612 -2.297 -0.293 91 H LEU 9 H LEU 9 -8.260 1.174 0.206 92 HA LEU 9 HA LEU 9 -9.039 -0.293 2.497 93 HB2 LEU 9 HB2 LEU 9 -8.571 1.733 3.738 94 HB3 LEU 9 HB3 LEU 9 -7.318 1.450 2.547 95 HG LEU 9 HG LEU 9 -9.160 3.105 1.252 96 HD11 LEU 9 HD11 LEU 9 -9.555 4.947 2.696 97 HD12 LEU 9 HD12 LEU 9 -8.586 4.227 3.983 98 HD13 LEU 9 HD13 LEU 9 -10.129 3.502 3.531 99 HD21 LEU 9 HD21 LEU 9 -6.543 3.740 2.608 100 HD22 LEU 9 HD22 LEU 9 -7.354 4.779 1.435 101 HD23 LEU 9 HD23 LEU 9 -6.767 3.188 0.947 102 HA PRO 10 HA PRO 10 -13.332 0.349 3.197 103 HB2 PRO 10 HB2 PRO 10 -12.594 1.948 5.613 104 HB3 PRO 10 HB3 PRO 10 -13.745 0.615 5.456 105 HG2 PRO 10 HG2 PRO 10 -11.356 0.208 6.547 106 HG3 PRO 10 HG3 PRO 10 -12.079 -1.001 5.469 107 HD2 PRO 10 HD2 PRO 10 -9.861 0.917 4.951 108 HD3 PRO 10 HD3 PRO 10 -10.112 -0.720 4.313 109 H GLU 11 H GLU 11 -15.009 2.063 3.526 110 HA GLU 11 HA GLU 11 -14.296 4.395 1.971 111 HB2 GLU 11 HB2 GLU 11 -16.392 3.144 1.547 112 HB3 GLU 11 HB3 GLU 11 -16.965 3.600 3.146 113 HG2 GLU 11 HG2 GLU 11 -17.489 5.693 2.514 114 HG3 GLU 11 HG3 GLU 11 -16.115 5.822 1.417 115 H SER 12 H SER 12 -15.333 3.655 5.258 116 HA SER 12 HA SER 12 -15.789 6.259 6.166 117 HB2 SER 12 HB2 SER 12 -16.473 4.373 7.506 118 HB3 SER 12 HB3 SER 12 -14.808 3.811 7.651 119 HG SER 12 HG SER 12 -15.629 6.352 8.582 120 H LEU 13 H LEU 13 -12.807 4.362 6.027 121 HA LEU 13 HA LEU 13 -11.221 6.387 7.296 122 HB2 LEU 13 HB2 LEU 13 -10.903 3.694 6.714 123 HB3 LEU 13 HB3 LEU 13 -9.752 4.482 5.654 124 HG LEU 13 HG LEU 13 -9.870 4.934 8.634 125 HD11 LEU 13 HD11 LEU 13 -7.930 3.482 8.788 126 HD12 LEU 13 HD12 LEU 13 -8.011 3.161 7.056 127 HD13 LEU 13 HD13 LEU 13 -9.304 2.605 8.118 128 HD21 LEU 13 HD21 LEU 13 -7.633 5.535 6.717 129 HD22 LEU 13 HD22 LEU 13 -7.815 6.070 8.386 130 HD23 LEU 13 HD23 LEU 13 -8.877 6.713 7.134 131 H SER 14 H SER 14 -11.931 5.434 3.987 132 HA SER 14 HA SER 14 -9.976 6.897 2.645 133 HB2 SER 14 HB2 SER 14 -11.541 5.223 1.617 134 HB3 SER 14 HB3 SER 14 -12.809 6.448 1.683 135 HG SER 14 HG SER 14 -11.390 6.172 -0.317 136 H ARG 15 H ARG 15 -13.005 7.919 4.070 137 HA ARG 15 HA ARG 15 -13.231 10.431 2.829 138 HB2 ARG 15 HB2 ARG 15 -14.817 9.040 4.483 139 HB3 ARG 15 HB3 ARG 15 -14.118 10.153 5.650 140 HG2 ARG 15 HG2 ARG 15 -15.758 11.535 5.056 141 HG3 ARG 15 HG3 ARG 15 -14.808 11.824 3.596 142 HD2 ARG 15 HD2 ARG 15 -16.068 9.669 2.758 143 HD3 ARG 15 HD3 ARG 15 -17.238 10.144 3.989 144 HE ARG 15 HE ARG 15 -17.872 11.900 2.662 145 HH11 ARG 15 HH11 ARG 15 -14.846 10.625 1.482 146 HH12 ARG 15 HH12 ARG 15 -14.857 11.586 0.042 147 HH21 ARG 15 HH21 ARG 15 -17.890 13.165 0.770 148 HH22 ARG 15 HH22 ARG 15 -16.586 13.029 -0.363 149 H LYS 16 H LYS 16 -11.428 9.350 5.643 150 HA LYS 16 HA LYS 16 -10.647 12.013 6.413 151 HB2 LYS 16 HB2 LYS 16 -9.408 9.419 7.328 152 HB3 LYS 16 HB3 LYS 16 -9.383 10.970 8.153 153 HG2 LYS 16 HG2 LYS 16 -11.373 10.631 9.107 154 HG3 LYS 16 HG3 LYS 16 -12.075 9.968 7.630 155 HD2 LYS 16 HD2 LYS 16 -12.064 8.023 8.755 156 HD3 LYS 16 HD3 LYS 16 -10.349 7.987 8.344 157 HE2 LYS 16 HE2 LYS 16 -10.036 7.787 10.555 158 HE3 LYS 16 HE3 LYS 16 -10.337 9.523 10.590 159 HZ1 LYS 16 HZ1 LYS 16 -12.790 8.794 10.804 160 HZ2 LYS 16 HZ2 LYS 16 -11.790 8.727 12.167 161 HZ3 LYS 16 HZ3 LYS 16 -12.146 7.314 11.307 162 H ILE 17 H ILE 17 -9.307 9.398 4.511 163 HA ILE 17 HA ILE 17 -6.672 10.513 4.352 164 HB ILE 17 HB ILE 17 -7.932 8.465 2.527 165 HG12 ILE 17 HG12 ILE 17 -6.197 7.929 4.938 166 HG13 ILE 17 HG13 ILE 17 -7.956 7.917 5.014 167 HG21 ILE 17 HG21 ILE 17 -5.021 8.886 3.161 168 HG22 ILE 17 HG22 ILE 17 -5.826 9.610 1.768 169 HG23 ILE 17 HG23 ILE 17 -5.721 7.855 1.913 170 HD11 ILE 17 HD11 ILE 17 -6.109 6.025 3.642 171 HD12 ILE 17 HD12 ILE 17 -7.769 6.209 3.075 172 HD13 ILE 17 HD13 ILE 17 -7.454 5.692 4.733 173 H GLY 18 H GLY 18 -9.426 10.308 2.102 174 HA2 GLY 18 HA2 GLY 18 -8.291 11.627 -0.063 175 HA3 GLY 18 HA3 GLY 18 -10.008 11.613 0.308 176 H THR 19 H THR 19 -9.546 12.947 2.917 177 HA THR 19 HA THR 19 -9.642 15.649 1.926 178 HB THR 19 HB THR 19 -11.173 14.914 3.694 179 HG1 THR 19 HG1 THR 19 -11.111 16.894 4.328 180 HG21 THR 19 HG21 THR 19 -10.066 13.380 5.028 181 HG22 THR 19 HG22 THR 19 -10.169 14.815 6.047 182 HG23 THR 19 HG23 THR 19 -8.658 14.422 5.228 183 H VAL 20 H VAL 20 -7.374 13.643 3.690 184 HA VAL 20 HA VAL 20 -5.627 15.834 4.359 185 HB VAL 20 HB VAL 20 -5.076 12.864 4.465 186 HG11 VAL 20 HG11 VAL 20 -2.997 13.954 4.512 187 HG12 VAL 20 HG12 VAL 20 -3.384 13.649 6.205 188 HG13 VAL 20 HG13 VAL 20 -3.608 15.261 5.525 189 HG21 VAL 20 HG21 VAL 20 -6.270 12.740 6.337 190 HG22 VAL 20 HG22 VAL 20 -6.872 14.361 5.998 191 HG23 VAL 20 HG23 VAL 20 -5.452 14.145 7.018 192 H VAL 21 H VAL 21 -5.800 13.334 1.885 193 HA VAL 21 HA VAL 21 -3.271 13.549 0.763 194 HB VAL 21 HB VAL 21 -5.854 13.112 -0.746 195 HG11 VAL 21 HG11 VAL 21 -4.351 11.782 -2.260 196 HG12 VAL 21 HG12 VAL 21 -2.981 12.489 -1.402 197 HG13 VAL 21 HG13 VAL 21 -4.097 13.526 -2.293 198 HG21 VAL 21 HG21 VAL 21 -4.328 10.734 -0.144 199 HG22 VAL 21 HG22 VAL 21 -6.028 11.087 0.159 200 HG23 VAL 21 HG23 VAL 21 -4.804 11.580 1.329 201 H ARG 22 H ARG 22 -6.085 15.617 0.374 202 HA ARG 22 HA ARG 22 -5.364 17.093 -1.852 203 HB2 ARG 22 HB2 ARG 22 -7.270 17.296 0.238 204 HB3 ARG 22 HB3 ARG 22 -6.478 18.861 0.114 205 HG2 ARG 22 HG2 ARG 22 -7.058 19.021 -2.218 206 HG3 ARG 22 HG3 ARG 22 -7.734 17.391 -2.194 207 HD2 ARG 22 HD2 ARG 22 -9.127 18.520 -0.181 208 HD3 ARG 22 HD3 ARG 22 -8.858 19.932 -1.201 209 HE ARG 22 HE ARG 22 -10.571 17.692 -1.755 210 HH11 ARG 22 HH11 ARG 22 -8.727 20.299 -3.163 211 HH12 ARG 22 HH12 ARG 22 -9.676 20.354 -4.611 212 HH21 ARG 22 HH21 ARG 22 -11.820 17.763 -3.658 213 HH22 ARG 22 HH22 ARG 22 -11.432 18.915 -4.892 214 H VAL 23 H VAL 23 -4.100 17.199 1.389 215 HA VAL 23 HA VAL 23 -2.683 19.680 1.029 216 HB VAL 23 HB VAL 23 -2.267 17.601 3.180 217 HG11 VAL 23 HG11 VAL 23 -1.452 19.552 4.477 218 HG12 VAL 23 HG12 VAL 23 -1.585 20.533 3.020 219 HG13 VAL 23 HG13 VAL 23 -0.456 19.180 3.070 220 HG21 VAL 23 HG21 VAL 23 -3.837 18.829 4.538 221 HG22 VAL 23 HG22 VAL 23 -4.625 18.345 3.036 222 HG23 VAL 23 HG23 VAL 23 -4.082 20.010 3.250 223 H LEU 24 H LEU 24 -1.990 16.261 0.682 224 HA LEU 24 HA LEU 24 0.543 16.934 -0.585 225 HB2 LEU 24 HB2 LEU 24 0.320 15.710 2.039 226 HB3 LEU 24 HB3 LEU 24 1.240 14.722 0.921 227 HG LEU 24 HG LEU 24 1.824 17.608 1.565 228 HD11 LEU 24 HD11 LEU 24 3.968 16.299 2.446 229 HD12 LEU 24 HD12 LEU 24 2.754 15.051 2.720 230 HD13 LEU 24 HD13 LEU 24 2.573 16.638 3.468 231 HD21 LEU 24 HD21 LEU 24 3.999 16.191 0.382 232 HD22 LEU 24 HD22 LEU 24 3.165 17.632 -0.196 233 HD23 LEU 24 HD23 LEU 24 2.576 16.033 -0.649 234 HA PRO 25 HA PRO 25 -1.927 13.581 -2.716 235 HB2 PRO 25 HB2 PRO 25 -1.113 15.179 -5.065 236 HB3 PRO 25 HB3 PRO 25 -2.705 14.547 -4.636 237 HG2 PRO 25 HG2 PRO 25 -2.146 17.161 -4.457 238 HG3 PRO 25 HG3 PRO 25 -3.207 16.355 -3.285 239 HD2 PRO 25 HD2 PRO 25 -0.339 17.165 -3.004 240 HD3 PRO 25 HD3 PRO 25 -1.659 17.260 -1.820 241 H SER 26 H SER 26 1.192 15.050 -2.927 242 HA SER 26 HA SER 26 2.292 12.952 -4.607 243 HB2 SER 26 HB2 SER 26 3.215 15.592 -3.616 244 HB3 SER 26 HB3 SER 26 4.461 14.372 -3.877 245 HG SER 26 HG SER 26 3.874 14.234 -6.004 246 H SER 27 H SER 27 2.584 14.138 -1.259 247 HA SER 27 HA SER 27 4.582 12.405 -0.385 248 HB2 SER 27 HB2 SER 27 3.446 14.341 0.884 249 HB3 SER 27 HB3 SER 27 2.242 13.145 1.360 250 HG SER 27 HG SER 27 3.698 12.978 2.937 251 H LEU 28 H LEU 28 1.087 11.911 -0.586 252 HA LEU 28 HA LEU 28 0.979 9.407 0.666 253 HB2 LEU 28 HB2 LEU 28 -1.131 10.184 0.398 254 HB3 LEU 28 HB3 LEU 28 -0.756 10.996 -1.108 255 HG LEU 28 HG LEU 28 -0.905 8.846 -2.296 256 HD11 LEU 28 HD11 LEU 28 -0.490 7.679 0.112 257 HD12 LEU 28 HD12 LEU 28 -1.144 6.848 -1.299 258 HD13 LEU 28 HD13 LEU 28 -2.232 7.479 -0.063 259 HD21 LEU 28 HD21 LEU 28 -3.436 9.054 -0.741 260 HD22 LEU 28 HD22 LEU 28 -3.190 8.887 -2.479 261 HD23 LEU 28 HD23 LEU 28 -2.899 10.439 -1.693 262 H GLU 29 H GLU 29 1.878 10.339 -2.581 263 HA GLU 29 HA GLU 29 1.657 7.900 -3.901 264 HB2 GLU 29 HB2 GLU 29 2.506 10.381 -4.600 265 HB3 GLU 29 HB3 GLU 29 4.035 9.515 -4.572 266 HG2 GLU 29 HG2 GLU 29 3.117 7.861 -6.127 267 HG3 GLU 29 HG3 GLU 29 1.599 8.759 -6.171 268 H ILE 30 H ILE 30 4.407 9.209 -2.066 269 HA ILE 30 HA ILE 30 6.204 7.124 -2.497 270 HB ILE 30 HB ILE 30 5.966 8.712 0.059 271 HG12 ILE 30 HG12 ILE 30 7.925 9.668 -1.868 272 HG13 ILE 30 HG13 ILE 30 6.289 9.735 -2.518 273 HG21 ILE 30 HG21 ILE 30 8.249 7.259 -1.259 274 HG22 ILE 30 HG22 ILE 30 7.503 6.907 0.300 275 HG23 ILE 30 HG23 ILE 30 8.447 8.381 0.086 276 HD11 ILE 30 HD11 ILE 30 7.567 11.407 -0.540 277 HD12 ILE 30 HD12 ILE 30 6.031 10.759 0.034 278 HD13 ILE 30 HD13 ILE 30 6.093 11.676 -1.470 279 H PHE 31 H PHE 31 3.853 7.553 0.138 280 HA PHE 31 HA PHE 31 4.461 5.177 1.504 281 HB2 PHE 31 HB2 PHE 31 1.870 6.733 1.407 282 HB3 PHE 31 HB3 PHE 31 2.249 5.475 2.581 283 HD1 PHE 31 HD1 PHE 31 4.813 5.948 3.567 284 HD2 PHE 31 HD2 PHE 31 1.939 8.828 2.320 285 HE1 PHE 31 HE1 PHE 31 5.866 7.625 5.027 286 HE2 PHE 31 HE2 PHE 31 2.990 10.512 3.777 287 HZ PHE 31 HZ PHE 31 4.954 9.910 5.133 288 H GLU 32 H GLU 32 2.510 5.810 -1.307 289 HA GLU 32 HA GLU 32 0.882 3.539 -1.311 290 HB2 GLU 32 HB2 GLU 32 0.672 5.497 -2.855 291 HB3 GLU 32 HB3 GLU 32 2.070 4.896 -3.736 292 HG2 GLU 32 HG2 GLU 32 0.887 3.314 -4.790 293 HG3 GLU 32 HG3 GLU 32 -0.071 2.932 -3.361 294 H GLU 33 H GLU 33 4.146 4.020 -2.610 295 HA GLU 33 HA GLU 33 4.339 1.296 -3.529 296 HB2 GLU 33 HB2 GLU 33 5.541 3.496 -4.388 297 HB3 GLU 33 HB3 GLU 33 6.745 3.029 -3.195 298 HG2 GLU 33 HG2 GLU 33 6.684 0.730 -4.337 299 HG3 GLU 33 HG3 GLU 33 5.880 1.573 -5.660 300 H LEU 34 H LEU 34 5.055 3.037 -0.632 301 HA LEU 34 HA LEU 34 6.918 1.104 0.404 302 HB2 LEU 34 HB2 LEU 34 7.323 3.232 1.221 303 HB3 LEU 34 HB3 LEU 34 5.621 3.594 1.422 304 HG LEU 34 HG LEU 34 7.068 3.306 3.525 305 HD11 LEU 34 HD11 LEU 34 4.708 1.517 3.673 306 HD12 LEU 34 HD12 LEU 34 4.456 3.185 3.153 307 HD13 LEU 34 HD13 LEU 34 5.191 2.851 4.722 308 HD21 LEU 34 HD21 LEU 34 7.904 1.310 4.100 309 HD22 LEU 34 HD22 LEU 34 7.732 0.914 2.391 310 HD23 LEU 34 HD23 LEU 34 6.477 0.441 3.537 311 H TYR 35 H TYR 35 3.550 2.013 1.164 312 HA TYR 35 HA TYR 35 3.134 0.107 3.162 313 HB2 TYR 35 HB2 TYR 35 1.142 1.121 3.273 314 HB3 TYR 35 HB3 TYR 35 1.597 2.069 1.866 315 HD1 TYR 35 HD1 TYR 35 1.056 1.058 -0.445 316 HD2 TYR 35 HD2 TYR 35 -0.689 -0.319 3.179 317 HE1 TYR 35 HE1 TYR 35 -0.784 0.046 -1.724 318 HE2 TYR 35 HE2 TYR 35 -2.535 -1.337 1.912 319 HH TYR 35 HH TYR 35 -3.349 -0.584 -1.075 320 H LYS 36 H LYS 36 2.940 -0.149 -0.330 321 HA LYS 36 HA LYS 36 1.806 -2.796 -0.277 322 HB2 LYS 36 HB2 LYS 36 1.368 -1.229 -2.137 323 HB3 LYS 36 HB3 LYS 36 3.074 -1.277 -2.562 324 HG2 LYS 36 HG2 LYS 36 2.579 -2.943 -3.935 325 HG3 LYS 36 HG3 LYS 36 2.321 -3.943 -2.504 326 HD2 LYS 36 HD2 LYS 36 0.153 -2.212 -3.666 327 HD3 LYS 36 HD3 LYS 36 0.438 -3.863 -4.221 328 HE2 LYS 36 HE2 LYS 36 0.268 -3.547 -1.306 329 HE3 LYS 36 HE3 LYS 36 -1.219 -3.180 -2.178 330 HZ1 LYS 36 HZ1 LYS 36 -1.492 -5.396 -1.947 331 HZ2 LYS 36 HZ2 LYS 36 0.166 -5.723 -1.856 332 HZ3 LYS 36 HZ3 LYS 36 -0.560 -5.445 -3.358 333 H TYR 37 H TYR 37 4.986 -1.379 -0.416 334 HA TYR 37 HA TYR 37 6.377 -3.689 -1.303 335 HB2 TYR 37 HB2 TYR 37 7.423 -1.533 -1.528 336 HB3 TYR 37 HB3 TYR 37 7.297 -1.234 0.202 337 HD1 TYR 37 HD1 TYR 37 8.660 -2.696 1.772 338 HD2 TYR 37 HD2 TYR 37 9.315 -2.597 -2.430 339 HE1 TYR 37 HE1 TYR 37 10.901 -3.646 2.107 340 HE2 TYR 37 HE2 TYR 37 11.560 -3.547 -2.108 341 HH TYR 37 HH TYR 37 13.123 -3.626 0.801 342 H ALA 38 H ALA 38 5.893 -2.275 1.929 343 HA ALA 38 HA ALA 38 7.287 -4.250 3.357 344 HB1 ALA 38 HB1 ALA 38 5.333 -2.131 4.036 345 HB2 ALA 38 HB2 ALA 38 6.946 -2.437 4.680 346 HB3 ALA 38 HB3 ALA 38 5.582 -3.415 5.219 347 H LEU 39 H LEU 39 4.105 -4.226 1.983 348 HA LEU 39 HA LEU 39 2.828 -6.141 3.560 349 HB2 LEU 39 HB2 LEU 39 2.517 -5.135 0.786 350 HB3 LEU 39 HB3 LEU 39 1.732 -6.655 1.172 351 HG LEU 39 HG LEU 39 1.306 -4.139 2.775 352 HD11 LEU 39 HD11 LEU 39 0.310 -3.392 0.894 353 HD12 LEU 39 HD12 LEU 39 -0.999 -4.443 1.436 354 HD13 LEU 39 HD13 LEU 39 0.138 -5.010 0.211 355 HD21 LEU 39 HD21 LEU 39 -0.716 -6.277 2.607 356 HD22 LEU 39 HD22 LEU 39 -0.198 -5.305 3.986 357 HD23 LEU 39 HD23 LEU 39 0.769 -6.686 3.468 358 H ASN 40 H ASN 40 5.114 -6.498 0.916 359 HA ASN 40 HA ASN 40 4.791 -9.355 0.757 360 HB2 ASN 40 HB2 ASN 40 5.919 -7.355 -0.874 361 HB3 ASN 40 HB3 ASN 40 7.251 -8.417 -0.424 362 HD21 ASN 40 HD21 ASN 40 4.672 -7.949 -2.498 363 HD22 ASN 40 HD22 ASN 40 4.606 -9.530 -3.193 364 H GLU 41 H GLU 41 6.843 -7.119 2.459 365 HA GLU 41 HA GLU 41 9.013 -8.743 3.081 366 HB2 GLU 41 HB2 GLU 41 7.709 -6.412 4.423 367 HB3 GLU 41 HB3 GLU 41 8.958 -7.299 5.286 368 HG2 GLU 41 HG2 GLU 41 9.893 -6.785 2.654 369 HG3 GLU 41 HG3 GLU 41 9.255 -5.284 3.322 370 H ASN 42 H ASN 42 5.759 -8.842 4.265 371 HA ASN 42 HA ASN 42 6.091 -10.100 6.721 372 HB2 ASN 42 HB2 ASN 42 3.802 -10.926 6.437 373 HB3 ASN 42 HB3 ASN 42 3.931 -9.246 5.921 374 HD21 ASN 42 HD21 ASN 42 1.832 -10.805 5.127 375 HD22 ASN 42 HD22 ASN 42 1.951 -11.123 3.432 376 H SER 43 H SER 43 6.302 -11.384 3.480 377 HA SER 43 HA SER 43 6.363 -14.135 4.392 378 HB2 SER 43 HB2 SER 43 6.838 -14.598 1.943 379 HB3 SER 43 HB3 SER 43 5.302 -13.799 2.280 380 HG SER 43 HG SER 43 6.678 -12.914 0.525 381 H ASN 44 H ASN 44 8.164 -15.553 4.028 382 HA ASN 44 HA ASN 44 10.741 -14.491 3.365 383 HB2 ASN 44 HB2 ASN 44 10.010 -14.074 5.974 384 HB3 ASN 44 HB3 ASN 44 10.866 -15.609 6.080 385 HD21 ASN 44 HD21 ASN 44 12.932 -15.418 6.498 386 HD22 ASN 44 HD22 ASN 44 13.952 -14.101 6.041 387 H ASP 45 H ASP 45 8.989 -16.650 2.534 388 HA ASP 45 HA ASP 45 9.904 -19.140 3.513 389 HB2 ASP 45 HB2 ASP 45 8.931 -20.023 1.344 390 HB3 ASP 45 HB3 ASP 45 7.821 -19.111 2.364 391 H ARG 46 H ARG 46 11.263 -20.687 2.472 392 HA ARG 46 HA ARG 46 13.188 -21.382 1.483 393 HB2 ARG 46 HB2 ARG 46 12.499 -19.161 -0.445 394 HB3 ARG 46 HB3 ARG 46 13.800 -20.315 -0.701 395 HG2 ARG 46 HG2 ARG 46 12.226 -21.429 -1.848 396 HG3 ARG 46 HG3 ARG 46 11.756 -22.006 -0.248 397 HD2 ARG 46 HD2 ARG 46 9.745 -21.286 -1.157 398 HD3 ARG 46 HD3 ARG 46 10.255 -19.911 -0.179 399 HE ARG 46 HE ARG 46 10.492 -18.675 -2.094 400 HH11 ARG 46 HH11 ARG 46 10.208 -22.047 -2.945 401 HH12 ARG 46 HH12 ARG 46 10.067 -21.735 -4.643 402 HH21 ARG 46 HH21 ARG 46 10.308 -18.263 -4.327 403 HH22 ARG 46 HH22 ARG 46 10.123 -19.588 -5.428 404 H SER 47 H SER 47 15.425 -20.961 1.427 405 HA SER 47 HA SER 47 16.599 -18.425 1.665 406 HB2 SER 47 HB2 SER 47 17.180 -18.340 4.017 407 HB3 SER 47 HB3 SER 47 15.427 -18.457 3.868 408 HG SER 47 HG SER 47 17.279 -20.394 4.715 409 H GLU 48 H GLU 48 16.913 -21.740 2.929 410 HA GLU 48 HA GLU 48 19.763 -21.723 2.350 411 HB2 GLU 48 HB2 GLU 48 18.023 -23.898 3.526 412 HB3 GLU 48 HB3 GLU 48 19.778 -23.935 3.419 413 HG2 GLU 48 HG2 GLU 48 19.646 -21.733 4.785 414 HG3 GLU 48 HG3 GLU 48 18.026 -22.295 5.190 415 H HIS 49 H HIS 49 20.726 -23.575 1.176 416 HA HIS 49 HA HIS 49 19.050 -24.294 -1.134 417 HB2 HIS 49 HB2 HIS 49 22.010 -23.820 -0.854 418 HB3 HIS 49 HB3 HIS 49 21.349 -24.704 -2.227 419 HD1 HIS 49 HD1 HIS 49 20.208 -21.473 -0.558 420 HD2 HIS 49 HD2 HIS 49 21.314 -22.952 -4.281 421 HE1 HIS 49 HE1 HIS 49 19.897 -19.560 -2.161 422 HE2 HIS 49 HE2 HIS 49 20.489 -20.505 -4.421 423 H HIS 50 H HIS 50 20.204 -26.342 -2.264 424 HA HIS 50 HA HIS 50 19.612 -28.529 -0.569 425 HB2 HIS 50 HB2 HIS 50 20.303 -28.116 -3.362 426 HB3 HIS 50 HB3 HIS 50 21.074 -29.558 -2.712 427 HD1 HIS 50 HD1 HIS 50 17.758 -28.646 -1.325 428 HD2 HIS 50 HD2 HIS 50 19.301 -31.124 -4.281 429 HE1 HIS 50 HE1 HIS 50 15.876 -30.187 -1.961 430 HE2 HIS 50 HE2 HIS 50 16.808 -31.625 -3.807 431 H LYS 51 H LYS 51 20.916 -28.605 1.217 432 HA LYS 51 HA LYS 51 23.816 -28.722 0.824 433 HB2 LYS 51 HB2 LYS 51 23.813 -28.683 3.380 434 HB3 LYS 51 HB3 LYS 51 23.282 -27.223 2.558 435 HG2 LYS 51 HG2 LYS 51 21.171 -27.395 3.327 436 HG3 LYS 51 HG3 LYS 51 21.165 -29.157 3.237 437 HD2 LYS 51 HD2 LYS 51 23.003 -28.085 5.243 438 HD3 LYS 51 HD3 LYS 51 21.312 -27.678 5.541 439 HE2 LYS 51 HE2 LYS 51 22.130 -30.483 4.869 440 HE3 LYS 51 HE3 LYS 51 22.260 -29.873 6.517 441 HZ1 LYS 51 HZ1 LYS 51 20.135 -31.059 5.928 442 HZ2 LYS 51 HZ2 LYS 51 19.743 -29.723 4.966 443 HZ3 LYS 51 HZ3 LYS 51 19.952 -29.533 6.633 444 H LYS 52 H LYS 52 25.063 -30.400 1.860 445 HA LYS 52 HA LYS 52 24.045 -32.666 3.098 446 HB2 LYS 52 HB2 LYS 52 23.255 -32.671 0.454 447 HB3 LYS 52 HB3 LYS 52 24.692 -33.682 0.434 448 HG2 LYS 52 HG2 LYS 52 23.078 -35.243 0.843 449 HG3 LYS 52 HG3 LYS 52 23.553 -34.826 2.491 450 HD2 LYS 52 HD2 LYS 52 21.140 -34.893 2.329 451 HD3 LYS 52 HD3 LYS 52 21.671 -33.232 2.597 452 HE2 LYS 52 HE2 LYS 52 20.522 -32.623 0.795 453 HE3 LYS 52 HE3 LYS 52 21.614 -33.598 -0.188 454 HZ1 LYS 52 HZ1 LYS 52 19.100 -34.545 1.082 455 HZ2 LYS 52 HZ2 LYS 52 20.154 -35.503 0.169 456 HZ3 LYS 52 HZ3 LYS 52 19.323 -34.226 -0.565 457 HA PRO 53 HA PRO 53 28.470 -33.729 1.469 458 HB2 PRO 53 HB2 PRO 53 29.654 -31.933 -0.202 459 HB3 PRO 53 HB3 PRO 53 28.705 -33.310 -0.775 460 HG2 PRO 53 HG2 PRO 53 27.889 -30.446 -0.459 461 HG3 PRO 53 HG3 PRO 53 27.551 -31.565 -1.793 462 HD2 PRO 53 HD2 PRO 53 25.725 -31.007 0.109 463 HD3 PRO 53 HD3 PRO 53 25.836 -32.606 -0.651 464 H ARG 54 H ARG 54 29.412 -33.352 3.387 465 HA ARG 54 HA ARG 54 30.423 -30.636 3.901 466 HB2 ARG 54 HB2 ARG 54 29.989 -30.979 6.312 467 HB3 ARG 54 HB3 ARG 54 28.514 -30.967 5.356 468 HG2 ARG 54 HG2 ARG 54 27.966 -33.022 5.998 469 HG3 ARG 54 HG3 ARG 54 29.582 -33.642 5.656 470 HD2 ARG 54 HD2 ARG 54 28.989 -33.894 8.022 471 HD3 ARG 54 HD3 ARG 54 30.374 -32.824 7.803 472 HE ARG 54 HE ARG 54 27.855 -31.445 7.948 473 HH11 ARG 54 HH11 ARG 54 30.496 -32.785 9.796 474 HH12 ARG 54 HH12 ARG 54 30.224 -31.760 11.164 475 HH21 ARG 54 HH21 ARG 54 27.496 -30.095 9.747 476 HH22 ARG 54 HH22 ARG 54 28.520 -30.232 11.137 477 H ILE 55 H ILE 55 32.067 -32.276 2.652 478 HA ILE 55 HA ILE 55 34.060 -33.377 2.708 479 HB ILE 55 HB ILE 55 34.315 -31.959 5.361 480 HG12 ILE 55 HG12 ILE 55 33.784 -30.443 3.484 481 HG13 ILE 55 HG13 ILE 55 35.410 -30.180 4.106 482 HG21 ILE 55 HG21 ILE 55 36.472 -32.978 3.516 483 HG22 ILE 55 HG22 ILE 55 35.961 -33.768 5.007 484 HG23 ILE 55 HG23 ILE 55 36.703 -32.169 5.067 485 HD11 ILE 55 HD11 ILE 55 36.338 -31.435 2.245 486 HD12 ILE 55 HD12 ILE 55 35.344 -30.096 1.674 487 HD13 ILE 55 HD13 ILE 55 34.714 -31.743 1.632 488 H ASP 56 H ASP 56 33.055 -35.461 2.890 489 HA ASP 56 HA ASP 56 33.968 -36.923 5.181 490 HB2 ASP 56 HB2 ASP 56 31.518 -35.872 5.568 491 HB3 ASP 56 HB3 ASP 56 31.067 -37.362 4.746 492 H ASP 57 H ASP 57 34.138 -39.121 4.792 493 HA ASP 57 HA ASP 57 33.689 -39.903 2.003 494 HB2 ASP 57 HB2 ASP 57 35.445 -41.083 4.162 495 HB3 ASP 57 HB3 ASP 57 35.241 -41.799 2.567 496 H SER 58 H SER 58 31.523 -39.816 3.940 497 HA SER 58 HA SER 58 30.678 -42.612 3.717 498 HB2 SER 58 HB2 SER 58 31.510 -42.021 6.075 499 HB3 SER 58 HB3 SER 58 30.067 -41.016 6.199 500 HG SER 58 HG SER 58 29.701 -43.115 7.015 501 H SER 59 H SER 59 29.674 -41.424 1.832 502 HA SER 59 HA SER 59 26.921 -41.070 2.306 503 HB2 SER 59 HB2 SER 59 26.713 -38.671 1.710 504 HB3 SER 59 HB3 SER 59 27.571 -38.909 3.232 505 HG SER 59 HG SER 59 29.498 -38.502 2.188 506 H ASP 60 H ASP 60 28.533 -42.581 0.570 507 HA ASP 60 HA ASP 60 28.292 -41.358 -2.060 508 HB2 ASP 60 HB2 ASP 60 30.173 -43.012 -1.055 509 HB3 ASP 60 HB3 ASP 60 29.109 -44.196 -1.812 510 H LEU 61 H LEU 61 26.699 -41.750 -3.462 511 HA LEU 61 HA LEU 61 24.986 -44.096 -3.060 512 HB2 LEU 61 HB2 LEU 61 24.149 -41.715 -2.159 513 HB3 LEU 61 HB3 LEU 61 23.645 -41.564 -3.832 514 HG LEU 61 HG LEU 61 22.642 -44.009 -3.267 515 HD11 LEU 61 HD11 LEU 61 21.480 -43.570 -0.990 516 HD12 LEU 61 HD12 LEU 61 22.859 -42.514 -0.689 517 HD13 LEU 61 HD13 LEU 61 23.116 -44.227 -1.017 518 HD21 LEU 61 HD21 LEU 61 21.108 -42.637 -4.209 519 HD22 LEU 61 HD22 LEU 61 21.577 -41.253 -3.223 520 HD23 LEU 61 HD23 LEU 61 20.546 -42.510 -2.541 521 H LEU 62 H LEU 62 24.210 -45.011 -4.911 522 HA LEU 62 HA LEU 62 24.159 -43.675 -7.425 523 HB2 LEU 62 HB2 LEU 62 26.662 -44.408 -6.794 524 HB3 LEU 62 HB3 LEU 62 26.104 -45.911 -7.504 525 HG LEU 62 HG LEU 62 27.221 -44.614 -9.192 526 HD11 LEU 62 HD11 LEU 62 25.056 -45.877 -9.693 527 HD12 LEU 62 HD12 LEU 62 25.610 -44.699 -10.882 528 HD13 LEU 62 HD13 LEU 62 24.297 -44.288 -9.778 529 HD21 LEU 62 HD21 LEU 62 25.588 -42.426 -8.062 530 HD22 LEU 62 HD22 LEU 62 25.841 -42.405 -9.807 531 HD23 LEU 62 HD23 LEU 62 27.226 -42.401 -8.714 532 H LYS 63 H LYS 63 22.652 -44.623 -8.640 533 HA LYS 63 HA LYS 63 21.991 -47.442 -8.086 534 HB2 LYS 63 HB2 LYS 63 20.018 -45.368 -9.029 535 HB3 LYS 63 HB3 LYS 63 19.679 -46.977 -8.404 536 HG2 LYS 63 HG2 LYS 63 20.397 -46.304 -6.193 537 HG3 LYS 63 HG3 LYS 63 20.845 -44.709 -6.801 538 HD2 LYS 63 HD2 LYS 63 18.266 -44.880 -7.633 539 HD3 LYS 63 HD3 LYS 63 18.200 -45.805 -6.133 540 HE2 LYS 63 HE2 LYS 63 19.728 -43.354 -5.844 541 HE3 LYS 63 HE3 LYS 63 18.078 -43.048 -6.384 542 HZ1 LYS 63 HZ1 LYS 63 18.748 -43.343 -3.836 543 HZ2 LYS 63 HZ2 LYS 63 18.377 -44.951 -4.208 544 HZ3 LYS 63 HZ3 LYS 63 17.219 -43.741 -4.438 545 H THR 64 H THR 64 21.540 -44.915 -10.563 546 HA THR 64 HA THR 64 22.183 -46.939 -12.602 547 HB THR 64 HB THR 64 20.613 -45.363 -14.049 548 HG1 THR 64 HG1 THR 64 20.241 -44.009 -12.149 549 HG21 THR 64 HG21 THR 64 19.314 -47.145 -14.151 550 HG22 THR 64 HG22 THR 64 18.802 -46.937 -12.475 551 HG23 THR 64 HG23 THR 64 20.266 -47.848 -12.845 552 H ASP 65 H ASP 65 23.390 -46.253 -14.369 553 HA ASP 65 HA ASP 65 24.919 -43.819 -13.906 554 HB2 ASP 65 HB2 ASP 65 25.566 -46.361 -14.877 555 HB3 ASP 65 HB3 ASP 65 25.668 -45.306 -16.283 556 H GLU 66 H GLU 66 24.633 -41.987 -14.997 557 HA GLU 66 HA GLU 66 23.375 -42.052 -17.635 558 HB2 GLU 66 HB2 GLU 66 22.373 -40.446 -15.285 559 HB3 GLU 66 HB3 GLU 66 21.926 -40.099 -16.949 560 HG2 GLU 66 HG2 GLU 66 21.530 -42.872 -16.006 561 HG3 GLU 66 HG3 GLU 66 20.465 -41.635 -15.342 562 H ILE 67 H ILE 67 24.252 -39.539 -15.267 563 HA ILE 67 HA ILE 67 25.415 -37.589 -15.527 564 HB ILE 67 HB ILE 67 27.192 -39.296 -15.173 565 HG12 ILE 67 HG12 ILE 67 28.492 -37.367 -16.992 566 HG13 ILE 67 HG13 ILE 67 27.438 -36.658 -15.773 567 HG21 ILE 67 HG21 ILE 67 27.314 -39.237 -18.179 568 HG22 ILE 67 HG22 ILE 67 27.055 -40.629 -17.127 569 HG23 ILE 67 HG23 ILE 67 28.629 -39.834 -17.166 570 HD11 ILE 67 HD11 ILE 67 29.730 -38.526 -15.220 571 HD12 ILE 67 HD12 ILE 67 28.702 -37.747 -14.017 572 HD13 ILE 67 HD13 ILE 67 29.762 -36.772 -15.037 573 H1 GLY 68 H1 GLY 68 11.489 13.861 29.360 574 H2 GLY 68 H2 GLY 68 11.202 13.402 30.963 575 H3 GLY 68 H3 GLY 68 11.546 12.227 29.795 576 HA2 GLY 68 HA2 GLY 68 13.552 14.297 30.081 577 HA3 GLY 68 HA3 GLY 68 13.360 13.247 31.476 578 H HIS 69 H HIS 69 12.851 12.313 28.118 579 HA HIS 69 HA HIS 69 15.412 10.974 27.964 580 HB2 HIS 69 HB2 HIS 69 14.343 8.751 27.493 581 HB3 HIS 69 HB3 HIS 69 14.207 9.285 29.166 582 HD1 HIS 69 HD1 HIS 69 12.165 8.715 26.074 583 HD2 HIS 69 HD2 HIS 69 11.611 9.765 30.056 584 HE1 HIS 69 HE1 HIS 69 9.687 8.564 26.470 585 HE2 HIS 69 HE2 HIS 69 9.384 9.126 28.907 586 H MET 70 H MET 70 16.052 10.570 25.882 587 HA MET 70 HA MET 70 14.707 11.973 23.813 588 HB2 MET 70 HB2 MET 70 16.457 10.896 22.342 589 HB3 MET 70 HB3 MET 70 17.075 11.850 23.681 590 HG2 MET 70 HG2 MET 70 16.693 9.028 24.320 591 HG3 MET 70 HG3 MET 70 17.863 9.323 23.036 592 HE1 MET 70 HE1 MET 70 19.146 7.894 25.294 593 HE2 MET 70 HE2 MET 70 20.513 8.923 25.722 594 HE3 MET 70 HE3 MET 70 20.080 8.694 24.029 595 H MET 71 H MET 71 12.882 11.291 22.910 596 HA MET 71 HA MET 71 12.565 8.409 22.387 597 HB2 MET 71 HB2 MET 71 10.104 8.903 22.349 598 HB3 MET 71 HB3 MET 71 10.873 9.115 23.917 599 HG2 MET 71 HG2 MET 71 10.823 11.544 22.303 600 HG3 MET 71 HG3 MET 71 9.223 10.913 22.687 601 HE1 MET 71 HE1 MET 71 8.603 12.831 23.608 602 HE2 MET 71 HE2 MET 71 9.534 13.854 24.702 603 HE3 MET 71 HE3 MET 71 8.376 12.694 25.353 604 H SER 72 H SER 72 12.907 7.927 20.325 605 HA SER 72 HA SER 72 11.931 9.796 18.268 606 HB2 SER 72 HB2 SER 72 14.227 7.979 17.678 607 HB3 SER 72 HB3 SER 72 13.851 9.567 17.008 608 HG SER 72 HG SER 72 14.512 10.487 18.974 609 H LYS 73 H LYS 73 11.015 8.903 16.410 610 HA LYS 73 HA LYS 73 9.610 6.478 16.777 611 HB2 LYS 73 HB2 LYS 73 9.389 8.659 15.096 612 HB3 LYS 73 HB3 LYS 73 9.840 7.362 13.998 613 HG2 LYS 73 HG2 LYS 73 7.943 6.063 15.274 614 HG3 LYS 73 HG3 LYS 73 7.381 7.698 15.634 615 HD2 LYS 73 HD2 LYS 73 7.008 8.197 13.398 616 HD3 LYS 73 HD3 LYS 73 8.099 6.931 12.831 617 HE2 LYS 73 HE2 LYS 73 6.185 5.820 12.417 618 HE3 LYS 73 HE3 LYS 73 6.269 5.443 14.137 619 HZ1 LYS 73 HZ1 LYS 73 4.111 6.231 13.765 620 HZ2 LYS 73 HZ2 LYS 73 4.637 7.519 12.804 621 HZ3 LYS 73 HZ3 LYS 73 4.922 7.537 14.470 622 H LEU 74 H LEU 74 10.069 4.437 16.223 623 HA LEU 74 HA LEU 74 12.658 3.926 14.954 624 HB2 LEU 74 HB2 LEU 74 10.958 2.509 16.901 625 HB3 LEU 74 HB3 LEU 74 11.761 1.479 15.732 626 HG LEU 74 HG LEU 74 13.037 1.718 17.826 627 HD11 LEU 74 HD11 LEU 74 14.531 1.151 16.226 628 HD12 LEU 74 HD12 LEU 74 15.141 2.771 16.558 629 HD13 LEU 74 HD13 LEU 74 14.083 2.494 15.174 630 HD21 LEU 74 HD21 LEU 74 13.824 3.721 18.645 631 HD22 LEU 74 HD22 LEU 74 12.239 4.195 18.031 632 HD23 LEU 74 HD23 LEU 74 13.689 4.534 17.086 633 H PHE 75 H PHE 75 10.284 4.752 13.436 634 HA PHE 75 HA PHE 75 9.735 2.321 11.881 635 HB2 PHE 75 HB2 PHE 75 7.740 3.493 12.636 636 HB3 PHE 75 HB3 PHE 75 8.318 4.994 11.921 637 HD1 PHE 75 HD1 PHE 75 7.351 1.515 11.035 638 HD2 PHE 75 HD2 PHE 75 7.716 5.558 9.757 639 HE1 PHE 75 HE1 PHE 75 6.207 0.949 8.931 640 HE2 PHE 75 HE2 PHE 75 6.572 4.999 7.651 641 HZ PHE 75 HZ PHE 75 5.816 2.692 7.236 642 H LEU 76 H LEU 76 11.106 5.533 11.700 643 HA LEU 76 HA LEU 76 11.639 5.199 8.841 644 HB2 LEU 76 HB2 LEU 76 11.775 7.538 10.716 645 HB3 LEU 76 HB3 LEU 76 12.572 7.588 9.155 646 HG LEU 76 HG LEU 76 10.007 6.747 8.532 647 HD11 LEU 76 HD11 LEU 76 9.713 7.646 11.060 648 HD12 LEU 76 HD12 LEU 76 8.454 7.727 9.829 649 HD13 LEU 76 HD13 LEU 76 9.461 9.137 10.154 650 HD21 LEU 76 HD21 LEU 76 11.502 9.321 8.371 651 HD22 LEU 76 HD22 LEU 76 9.802 9.281 7.903 652 HD23 LEU 76 HD23 LEU 76 10.967 8.244 7.081 653 H ASP 77 H ASP 77 13.010 3.602 10.860 654 HA ASP 77 HA ASP 77 15.761 4.405 10.209 655 HB2 ASP 77 HB2 ASP 77 14.579 3.886 12.874 656 HB3 ASP 77 HB3 ASP 77 16.162 3.173 12.577 657 H GLU 78 H GLU 78 13.555 2.249 9.489 658 HA GLU 78 HA GLU 78 15.475 0.020 9.432 659 HB2 GLU 78 HB2 GLU 78 12.536 -0.045 10.079 660 HB3 GLU 78 HB3 GLU 78 13.390 -1.475 9.517 661 HG2 GLU 78 HG2 GLU 78 14.882 -0.298 11.636 662 HG3 GLU 78 HG3 GLU 78 13.202 -0.456 12.142 663 H LEU 79 H LEU 79 12.378 1.086 8.014 664 HA LEU 79 HA LEU 79 12.405 -0.358 5.681 665 HB2 LEU 79 HB2 LEU 79 11.267 1.781 4.699 666 HB3 LEU 79 HB3 LEU 79 10.468 0.849 5.949 667 HG LEU 79 HG LEU 79 11.048 2.459 7.627 668 HD11 LEU 79 HD11 LEU 79 12.859 3.521 5.509 669 HD12 LEU 79 HD12 LEU 79 13.180 3.215 7.216 670 HD13 LEU 79 HD13 LEU 79 12.221 4.615 6.737 671 HD21 LEU 79 HD21 LEU 79 10.291 4.342 5.488 672 HD22 LEU 79 HD22 LEU 79 9.516 4.007 7.037 673 HD23 LEU 79 HD23 LEU 79 9.266 2.918 5.671 674 HA PRO 80 HA PRO 80 15.494 0.799 2.762 675 HB2 PRO 80 HB2 PRO 80 13.382 2.297 1.253 676 HB3 PRO 80 HB3 PRO 80 14.611 1.179 0.649 677 HG2 PRO 80 HG2 PRO 80 12.093 0.376 0.968 678 HG3 PRO 80 HG3 PRO 80 13.449 -0.697 1.363 679 HD2 PRO 80 HD2 PRO 80 11.592 0.746 3.170 680 HD3 PRO 80 HD3 PRO 80 12.469 -0.773 3.432 681 H GLU 81 H GLU 81 16.627 2.200 4.135 682 HA GLU 81 HA GLU 81 16.045 4.760 4.895 683 HB2 GLU 81 HB2 GLU 81 18.432 5.119 5.166 684 HB3 GLU 81 HB3 GLU 81 18.008 3.487 5.665 685 HG2 GLU 81 HG2 GLU 81 19.639 2.762 4.358 686 HG3 GLU 81 HG3 GLU 81 18.652 3.240 2.978 687 H SER 82 H SER 82 17.049 3.663 1.744 688 HA SER 82 HA SER 82 17.926 6.081 0.644 689 HB2 SER 82 HB2 SER 82 16.900 3.508 -0.424 690 HB3 SER 82 HB3 SER 82 16.843 4.891 -1.517 691 HG SER 82 HG SER 82 18.836 4.139 -1.835 692 H LEU 83 H LEU 83 14.684 4.657 0.801 693 HA LEU 83 HA LEU 83 13.463 6.915 -0.510 694 HB2 LEU 83 HB2 LEU 83 12.675 4.255 0.329 695 HB3 LEU 83 HB3 LEU 83 11.463 5.440 0.776 696 HG LEU 83 HG LEU 83 12.539 5.362 -2.022 697 HD11 LEU 83 HD11 LEU 83 10.768 3.401 -0.706 698 HD12 LEU 83 HD12 LEU 83 11.816 3.224 -2.113 699 HD13 LEU 83 HD13 LEU 83 10.242 4.002 -2.277 700 HD21 LEU 83 HD21 LEU 83 9.955 6.012 -2.213 701 HD22 LEU 83 HD22 LEU 83 11.221 7.202 -1.919 702 HD23 LEU 83 HD23 LEU 83 10.265 6.580 -0.574 703 H SER 84 H SER 84 13.886 5.760 2.780 704 HA SER 84 HA SER 84 12.086 7.368 4.138 705 HB2 SER 84 HB2 SER 84 13.334 6.924 6.096 706 HB3 SER 84 HB3 SER 84 13.609 5.523 5.061 707 HG SER 84 HG SER 84 15.345 7.706 5.547 708 H ARG 85 H ARG 85 15.105 8.209 2.633 709 HA ARG 85 HA ARG 85 15.702 10.587 3.970 710 HB2 ARG 85 HB2 ARG 85 16.368 9.403 1.339 711 HB3 ARG 85 HB3 ARG 85 16.568 11.144 1.473 712 HG2 ARG 85 HG2 ARG 85 17.894 10.615 3.613 713 HG3 ARG 85 HG3 ARG 85 17.967 8.971 2.977 714 HD2 ARG 85 HD2 ARG 85 19.948 10.182 2.318 715 HD3 ARG 85 HD3 ARG 85 18.957 9.848 0.898 716 HE ARG 85 HE ARG 85 18.161 12.326 1.654 717 HH11 ARG 85 HH11 ARG 85 21.274 10.902 0.974 718 HH12 ARG 85 HH12 ARG 85 21.969 12.385 0.409 719 HH21 ARG 85 HH21 ARG 85 19.073 14.277 0.912 720 HH22 ARG 85 HH22 ARG 85 20.719 14.302 0.375 721 H LYS 86 H LYS 86 13.620 9.996 1.161 722 HA LYS 86 HA LYS 86 12.915 12.776 0.900 723 HB2 LYS 86 HB2 LYS 86 11.785 10.281 -0.380 724 HB3 LYS 86 HB3 LYS 86 11.269 11.914 -0.777 725 HG2 LYS 86 HG2 LYS 86 12.798 11.358 -2.444 726 HG3 LYS 86 HG3 LYS 86 13.718 12.370 -1.328 727 HD2 LYS 86 HD2 LYS 86 14.823 10.495 -0.394 728 HD3 LYS 86 HD3 LYS 86 13.711 9.364 -1.168 729 HE2 LYS 86 HE2 LYS 86 15.187 11.164 -2.978 730 HE3 LYS 86 HE3 LYS 86 16.160 9.967 -2.126 731 HZ1 LYS 86 HZ1 LYS 86 15.490 8.960 -4.121 732 HZ2 LYS 86 HZ2 LYS 86 13.889 9.491 -3.965 733 HZ3 LYS 86 HZ3 LYS 86 14.487 8.288 -2.937 734 H ILE 87 H ILE 87 11.532 9.905 2.373 735 HA ILE 87 HA ILE 87 8.953 10.960 2.864 736 HB ILE 87 HB ILE 87 10.397 8.845 4.469 737 HG12 ILE 87 HG12 ILE 87 8.541 8.451 2.115 738 HG13 ILE 87 HG13 ILE 87 10.295 8.408 1.989 739 HG21 ILE 87 HG21 ILE 87 7.437 9.226 4.070 740 HG22 ILE 87 HG22 ILE 87 8.325 9.856 5.457 741 HG23 ILE 87 HG23 ILE 87 8.244 8.115 5.178 742 HD11 ILE 87 HD11 ILE 87 8.484 6.340 2.755 743 HD12 ILE 87 HD12 ILE 87 9.620 6.653 4.066 744 HD13 ILE 87 HD13 ILE 87 10.220 6.252 2.457 745 H GLY 88 H GLY 88 11.837 10.689 4.943 746 HA2 GLY 88 HA2 GLY 88 10.770 11.894 7.226 747 HA3 GLY 88 HA3 GLY 88 12.474 11.875 6.802 748 H THR 89 H THR 89 11.860 13.301 4.247 749 HA THR 89 HA THR 89 12.104 15.968 5.301 750 HB THR 89 HB THR 89 11.953 16.287 2.594 751 HG1 THR 89 HG1 THR 89 11.817 14.261 1.921 752 HG21 THR 89 HG21 THR 89 13.854 16.781 4.292 753 HG22 THR 89 HG22 THR 89 14.227 16.570 2.582 754 HG23 THR 89 HG23 THR 89 14.508 15.248 3.715 755 H VAL 90 H VAL 90 9.687 14.084 3.587 756 HA VAL 90 HA VAL 90 7.930 16.327 3.164 757 HB VAL 90 HB VAL 90 7.250 13.396 2.942 758 HG11 VAL 90 HG11 VAL 90 5.257 14.607 2.888 759 HG12 VAL 90 HG12 VAL 90 5.661 14.382 1.186 760 HG13 VAL 90 HG13 VAL 90 5.976 15.930 1.970 761 HG21 VAL 90 HG21 VAL 90 8.327 13.228 0.987 762 HG22 VAL 90 HG22 VAL 90 9.228 14.648 1.515 763 HG23 VAL 90 HG23 VAL 90 7.823 14.835 0.466 764 H VAL 91 H VAL 91 8.352 13.846 5.583 765 HA VAL 91 HA VAL 91 5.859 13.843 6.802 766 HB VAL 91 HB VAL 91 8.540 13.622 8.184 767 HG11 VAL 91 HG11 VAL 91 6.623 14.020 9.701 768 HG12 VAL 91 HG12 VAL 91 7.372 12.440 9.930 769 HG13 VAL 91 HG13 VAL 91 5.849 12.575 9.053 770 HG21 VAL 91 HG21 VAL 91 8.800 11.702 7.100 771 HG22 VAL 91 HG22 VAL 91 7.245 11.907 6.294 772 HG23 VAL 91 HG23 VAL 91 7.328 11.100 7.860 773 H ARG 92 H ARG 92 8.430 16.209 6.973 774 HA ARG 92 HA ARG 92 7.725 17.612 9.258 775 HB2 ARG 92 HB2 ARG 92 9.339 18.080 6.908 776 HB3 ARG 92 HB3 ARG 92 8.506 19.553 7.383 777 HG2 ARG 92 HG2 ARG 92 9.533 19.597 9.481 778 HG3 ARG 92 HG3 ARG 92 10.031 17.908 9.369 779 HD2 ARG 92 HD2 ARG 92 11.661 18.423 7.704 780 HD3 ARG 92 HD3 ARG 92 11.055 20.071 7.542 781 HE ARG 92 HE ARG 92 11.934 19.493 10.198 782 HH11 ARG 92 HH11 ARG 92 13.029 20.392 7.010 783 HH12 ARG 92 HH12 ARG 92 14.468 21.165 7.584 784 HH21 ARG 92 HH21 ARG 92 13.823 20.510 10.958 785 HH22 ARG 92 HH22 ARG 92 14.919 21.231 9.827 786 H VAL 93 H VAL 93 6.346 17.734 6.030 787 HA VAL 93 HA VAL 93 4.616 19.957 6.629 788 HB VAL 93 HB VAL 93 4.487 18.048 4.290 789 HG11 VAL 93 HG11 VAL 93 2.912 20.358 5.103 790 HG12 VAL 93 HG12 VAL 93 2.573 19.128 3.885 791 HG13 VAL 93 HG13 VAL 93 3.578 20.520 3.478 792 HG21 VAL 93 HG21 VAL 93 5.620 20.738 3.919 793 HG22 VAL 93 HG22 VAL 93 6.109 19.192 3.226 794 HG23 VAL 93 HG23 VAL 93 6.609 19.625 4.862 795 H LEU 94 H LEU 94 4.217 16.457 6.175 796 HA LEU 94 HA LEU 94 1.636 16.652 7.580 797 HB2 LEU 94 HB2 LEU 94 2.313 15.401 5.007 798 HB3 LEU 94 HB3 LEU 94 1.370 14.390 6.085 799 HG LEU 94 HG LEU 94 -0.288 16.274 6.264 800 HD11 LEU 94 HD11 LEU 94 0.066 18.249 5.316 801 HD12 LEU 94 HD12 LEU 94 0.470 17.508 3.768 802 HD13 LEU 94 HD13 LEU 94 1.718 17.724 4.994 803 HD21 LEU 94 HD21 LEU 94 -1.212 14.757 4.887 804 HD22 LEU 94 HD22 LEU 94 0.256 14.584 3.924 805 HD23 LEU 94 HD23 LEU 94 -0.838 15.936 3.630 806 HA PRO 95 HA PRO 95 4.463 13.749 9.851 807 HB2 PRO 95 HB2 PRO 95 3.998 14.764 12.315 808 HB3 PRO 95 HB3 PRO 95 5.219 15.436 11.227 809 HG2 PRO 95 HG2 PRO 95 2.439 16.398 11.782 810 HG3 PRO 95 HG3 PRO 95 3.936 17.334 11.622 811 HD2 PRO 95 HD2 PRO 95 2.119 17.103 9.616 812 HD3 PRO 95 HD3 PRO 95 3.857 17.305 9.322 813 H SER 96 H SER 96 1.185 14.874 10.408 814 HA SER 96 HA SER 96 0.477 12.567 12.005 815 HB2 SER 96 HB2 SER 96 -0.905 15.058 11.112 816 HB3 SER 96 HB3 SER 96 -1.901 13.671 11.556 817 HG SER 96 HG SER 96 -1.523 14.942 13.374 818 H SER 97 H SER 97 0.107 13.694 8.702 819 HA SER 97 HA SER 97 -1.820 11.861 7.820 820 HB2 SER 97 HB2 SER 97 -0.715 13.928 6.627 821 HB3 SER 97 HB3 SER 97 0.409 12.715 6.011 822 HG SER 97 HG SER 97 -1.113 12.527 4.548 823 H LEU 98 H LEU 98 1.711 11.637 7.948 824 HA LEU 98 HA LEU 98 1.994 9.179 6.648 825 HB2 LEU 98 HB2 LEU 98 4.033 10.133 6.885 826 HB3 LEU 98 HB3 LEU 98 3.624 10.882 8.415 827 HG LEU 98 HG LEU 98 3.932 8.628 9.495 828 HD11 LEU 98 HD11 LEU 98 3.705 7.427 7.253 829 HD12 LEU 98 HD12 LEU 98 4.963 6.862 8.351 830 HD13 LEU 98 HD13 LEU 98 5.385 7.883 6.978 831 HD21 LEU 98 HD21 LEU 98 6.121 9.075 9.906 832 HD22 LEU 98 HD22 LEU 98 5.682 10.587 9.111 833 HD23 LEU 98 HD23 LEU 98 6.508 9.320 8.203 834 H GLU 99 H GLU 99 1.006 9.962 9.894 835 HA GLU 99 HA GLU 99 1.484 7.527 11.173 836 HB2 GLU 99 HB2 GLU 99 0.325 9.937 11.864 837 HB3 GLU 99 HB3 GLU 99 -1.019 8.810 11.976 838 HG2 GLU 99 HG2 GLU 99 -0.091 7.652 13.710 839 HG3 GLU 99 HG3 GLU 99 1.561 8.056 13.240 840 H ILE 100 H ILE 100 -1.399 8.625 9.404 841 HA ILE 100 HA ILE 100 -2.977 6.357 9.808 842 HB ILE 100 HB ILE 100 -2.977 8.082 7.330 843 HG12 ILE 100 HG12 ILE 100 -5.023 8.836 9.157 844 HG13 ILE 100 HG13 ILE 100 -3.510 8.795 10.055 845 HG21 ILE 100 HG21 ILE 100 -5.034 6.290 8.599 846 HG22 ILE 100 HG22 ILE 100 -4.326 6.165 6.988 847 HG23 ILE 100 HG23 ILE 100 -5.426 7.491 7.369 848 HD11 ILE 100 HD11 ILE 100 -4.434 10.880 8.539 849 HD12 ILE 100 HD12 ILE 100 -3.253 10.110 7.478 850 HD13 ILE 100 HD13 ILE 100 -2.773 10.652 9.087 851 H PHE 101 H PHE 101 -0.804 7.131 7.094 852 HA PHE 101 HA PHE 101 -1.223 4.777 5.638 853 HB2 PHE 101 HB2 PHE 101 1.262 6.499 5.773 854 HB3 PHE 101 HB3 PHE 101 0.920 5.303 4.528 855 HD1 PHE 101 HD1 PHE 101 -1.738 5.702 3.701 856 HD2 PHE 101 HD2 PHE 101 1.085 8.630 4.955 857 HE1 PHE 101 HE1 PHE 101 -2.931 7.408 2.389 858 HE2 PHE 101 HE2 PHE 101 -0.102 10.341 3.645 859 HZ PHE 101 HZ PHE 101 -2.113 9.730 2.360 860 H GLU 102 H GLU 102 0.861 5.466 8.368 861 HA GLU 102 HA GLU 102 2.506 3.183 8.199 862 HB2 GLU 102 HB2 GLU 102 1.711 4.993 10.469 863 HB3 GLU 102 HB3 GLU 102 2.739 3.592 10.738 864 HG2 GLU 102 HG2 GLU 102 4.454 4.461 9.379 865 HG3 GLU 102 HG3 GLU 102 3.395 5.703 8.710 866 H GLU 103 H GLU 103 -0.613 3.763 9.739 867 HA GLU 103 HA GLU 103 -0.727 1.129 10.898 868 HB2 GLU 103 HB2 GLU 103 -2.045 3.553 11.334 869 HB3 GLU 103 HB3 GLU 103 -3.288 2.479 10.704 870 HG2 GLU 103 HG2 GLU 103 -2.426 0.805 12.455 871 HG3 GLU 103 HG3 GLU 103 -1.647 2.206 13.189 872 H LEU 104 H LEU 104 -1.645 2.625 7.920 873 HA LEU 104 HA LEU 104 -3.655 0.802 7.122 874 HB2 LEU 104 HB2 LEU 104 -2.358 3.087 6.047 875 HB3 LEU 104 HB3 LEU 104 -2.241 1.810 4.852 876 HG LEU 104 HG LEU 104 -4.843 2.649 6.126 877 HD11 LEU 104 HD11 LEU 104 -5.218 4.186 4.489 878 HD12 LEU 104 HD12 LEU 104 -4.161 3.378 3.332 879 HD13 LEU 104 HD13 LEU 104 -3.467 4.347 4.632 880 HD21 LEU 104 HD21 LEU 104 -4.798 0.388 5.194 881 HD22 LEU 104 HD22 LEU 104 -4.230 1.033 3.654 882 HD23 LEU 104 HD23 LEU 104 -5.836 1.457 4.249 883 H TYR 105 H TYR 105 -0.177 0.976 6.350 884 HA TYR 105 HA TYR 105 -0.126 -1.347 4.764 885 HB2 TYR 105 HB2 TYR 105 2.148 -1.038 4.627 886 HB3 TYR 105 HB3 TYR 105 1.655 0.572 5.138 887 HD1 TYR 105 HD1 TYR 105 3.009 -2.652 6.390 888 HD2 TYR 105 HD2 TYR 105 2.498 1.506 7.123 889 HE1 TYR 105 HE1 TYR 105 4.528 -2.812 8.317 890 HE2 TYR 105 HE2 TYR 105 4.016 1.359 9.052 891 HH TYR 105 HH TYR 105 6.059 -1.176 9.595 892 H LYS 106 H LYS 106 0.164 -0.853 8.222 893 HA LYS 106 HA LYS 106 0.965 -3.550 8.784 894 HB2 LYS 106 HB2 LYS 106 -0.087 -1.352 10.572 895 HB3 LYS 106 HB3 LYS 106 0.478 -2.912 11.154 896 HG2 LYS 106 HG2 LYS 106 2.686 -2.396 10.063 897 HG3 LYS 106 HG3 LYS 106 2.079 -0.759 9.801 898 HD2 LYS 106 HD2 LYS 106 3.388 -0.795 11.823 899 HD3 LYS 106 HD3 LYS 106 1.691 -0.565 12.244 900 HE2 LYS 106 HE2 LYS 106 2.672 -3.353 12.144 901 HE3 LYS 106 HE3 LYS 106 3.279 -2.349 13.459 902 HZ1 LYS 106 HZ1 LYS 106 0.632 -1.819 13.478 903 HZ2 LYS 106 HZ2 LYS 106 1.402 -2.940 14.483 904 HZ3 LYS 106 HZ3 LYS 106 0.653 -3.457 13.058 905 H TYR 107 H TYR 107 -2.047 -1.786 8.584 906 HA TYR 107 HA TYR 107 -3.656 -3.807 9.807 907 HB2 TYR 107 HB2 TYR 107 -4.462 -1.542 9.826 908 HB3 TYR 107 HB3 TYR 107 -4.342 -1.428 8.074 909 HD1 TYR 107 HD1 TYR 107 -5.968 -2.614 6.642 910 HD2 TYR 107 HD2 TYR 107 -6.361 -2.554 10.878 911 HE1 TYR 107 HE1 TYR 107 -8.310 -3.334 6.430 912 HE2 TYR 107 HE2 TYR 107 -8.704 -3.274 10.677 913 HH TYR 107 HH TYR 107 -10.422 -3.167 7.820 914 H ALA 108 H ALA 108 -3.027 -2.832 6.452 915 HA ALA 108 HA ALA 108 -4.675 -4.817 5.277 916 HB1 ALA 108 HB1 ALA 108 -2.363 -3.279 4.102 917 HB2 ALA 108 HB2 ALA 108 -4.062 -2.808 4.066 918 HB3 ALA 108 HB3 ALA 108 -3.525 -4.238 3.184 919 H LEU 109 H LEU 109 -1.664 -5.034 6.817 920 HA LEU 109 HA LEU 109 -0.566 -7.177 5.269 921 HB2 LEU 109 HB2 LEU 109 0.147 -5.690 7.708 922 HB3 LEU 109 HB3 LEU 109 0.684 -7.359 7.683 923 HG LEU 109 HG LEU 109 1.263 -5.538 5.370 924 HD11 LEU 109 HD11 LEU 109 2.889 -5.819 7.893 925 HD12 LEU 109 HD12 LEU 109 2.076 -4.360 7.323 926 HD13 LEU 109 HD13 LEU 109 3.429 -5.030 6.411 927 HD21 LEU 109 HD21 LEU 109 3.296 -7.098 5.340 928 HD22 LEU 109 HD22 LEU 109 1.740 -7.763 4.843 929 HD23 LEU 109 HD23 LEU 109 2.373 -8.105 6.453 930 H ASN 110 H ASN 110 -2.667 -6.911 8.047 931 HA ASN 110 HA ASN 110 -2.474 -9.696 8.743 932 HB2 ASN 110 HB2 ASN 110 -2.989 -7.818 10.368 933 HB3 ASN 110 HB3 ASN 110 -4.593 -7.744 9.645 934 HD21 ASN 110 HD21 ASN 110 -2.938 -8.917 12.174 935 HD22 ASN 110 HD22 ASN 110 -3.905 -10.293 12.565 936 H GLU 111 H GLU 111 -4.777 -7.632 7.047 937 HA GLU 111 HA GLU 111 -6.747 -9.643 6.676 938 HB2 GLU 111 HB2 GLU 111 -7.767 -8.103 5.096 939 HB3 GLU 111 HB3 GLU 111 -7.253 -7.238 6.536 940 HG2 GLU 111 HG2 GLU 111 -6.449 -5.794 5.011 941 HG3 GLU 111 HG3 GLU 111 -5.071 -6.894 5.038 942 H ASN 112 H ASN 112 -3.838 -8.782 4.983 943 HA ASN 112 HA ASN 112 -4.332 -9.866 2.468 944 HB2 ASN 112 HB2 ASN 112 -2.293 -8.535 3.297 945 HB3 ASN 112 HB3 ASN 112 -1.660 -10.085 3.842 946 HD21 ASN 112 HD21 ASN 112 -2.006 -7.963 1.249 947 HD22 ASN 112 HD22 ASN 112 -1.394 -8.991 0.002 948 H SER 113 H SER 113 -3.718 -11.432 5.505 949 HA SER 113 HA SER 113 -3.732 -13.613 6.142 950 HB2 SER 113 HB2 SER 113 -5.234 -13.674 3.569 951 HB3 SER 113 HB3 SER 113 -4.713 -15.214 4.251 952 HG SER 113 HG SER 113 -5.725 -14.375 6.262 953 H ASN 114 H ASN 114 -2.427 -15.440 6.074 954 HA ASN 114 HA ASN 114 -0.356 -15.402 3.980 955 HB2 ASN 114 HB2 ASN 114 0.043 -15.033 6.647 956 HB3 ASN 114 HB3 ASN 114 0.267 -16.775 6.515 957 HD21 ASN 114 HD21 ASN 114 2.460 -16.489 7.060 958 HD22 ASN 114 HD22 ASN 114 3.603 -15.925 5.895 959 H ASP 115 H ASP 115 -2.478 -17.410 5.923 960 HA ASP 115 HA ASP 115 -1.772 -19.714 4.227 961 HB2 ASP 115 HB2 ASP 115 -2.966 -19.748 7.008 962 HB3 ASP 115 HB3 ASP 115 -2.521 -21.159 6.054 963 H ARG 116 H ARG 116 -4.557 -18.800 6.260 964 HA ARG 116 HA ARG 116 -6.795 -18.780 5.856 965 HB2 ARG 116 HB2 ARG 116 -5.569 -17.869 3.371 966 HB3 ARG 116 HB3 ARG 116 -7.128 -18.633 3.108 967 HG2 ARG 116 HG2 ARG 116 -7.366 -16.883 5.332 968 HG3 ARG 116 HG3 ARG 116 -6.573 -16.012 4.019 969 HD2 ARG 116 HD2 ARG 116 -8.819 -15.641 3.592 970 HD3 ARG 116 HD3 ARG 116 -8.447 -17.008 2.543 971 HE ARG 116 HE ARG 116 -9.400 -17.855 5.091 972 HH11 ARG 116 HH11 ARG 116 -10.431 -16.614 1.996 973 HH12 ARG 116 HH12 ARG 116 -12.009 -17.319 2.099 974 HH21 ARG 116 HH21 ARG 116 -11.476 -18.783 5.228 975 HH22 ARG 116 HH22 ARG 116 -12.602 -18.550 3.933 976 H SER 117 H SER 117 -8.564 -19.921 4.466 977 HA SER 117 HA SER 117 -9.564 -21.879 3.885 978 HB2 SER 117 HB2 SER 117 -7.005 -23.058 2.903 979 HB3 SER 117 HB3 SER 117 -8.605 -23.061 2.159 980 HG SER 117 HG SER 117 -7.945 -21.433 1.031 981 H GLU 118 H GLU 118 -9.700 -24.182 4.403 982 HA GLU 118 HA GLU 118 -7.948 -24.976 6.629 983 HB2 GLU 118 HB2 GLU 118 -10.935 -25.429 6.555 984 HB3 GLU 118 HB3 GLU 118 -9.839 -25.826 7.871 985 HG2 GLU 118 HG2 GLU 118 -9.334 -23.243 7.777 986 HG3 GLU 118 HG3 GLU 118 -10.935 -23.196 7.039 987 H HIS 119 H HIS 119 -7.068 -26.010 4.524 988 HA HIS 119 HA HIS 119 -8.442 -28.228 3.411 989 HB2 HIS 119 HB2 HIS 119 -5.534 -27.417 3.402 990 HB3 HIS 119 HB3 HIS 119 -6.125 -28.847 2.560 991 HD1 HIS 119 HD1 HIS 119 -5.484 -25.355 2.044 992 HD2 HIS 119 HD2 HIS 119 -8.248 -28.096 0.591 993 HE1 HIS 119 HE1 HIS 119 -6.402 -24.331 -0.062 994 HE2 HIS 119 HE2 HIS 119 -8.006 -26.049 -0.972 995 H HIS 120 H HIS 120 -9.079 -29.827 4.734 996 HA HIS 120 HA HIS 120 -7.339 -30.777 6.856 997 HB2 HIS 120 HB2 HIS 120 -10.047 -30.562 6.678 998 HB3 HIS 120 HB3 HIS 120 -9.823 -32.263 6.279 999 HD1 HIS 120 HD1 HIS 120 -8.578 -29.884 8.988 1000 HD2 HIS 120 HD2 HIS 120 -9.843 -33.810 8.487 1001 HE1 HIS 120 HE1 HIS 120 -8.529 -30.903 11.285 1002 HE2 HIS 120 HE2 HIS 120 -9.380 -33.254 10.971 1003 H LYS 121 H LYS 121 -9.209 -32.480 4.339 1004 HA LYS 121 HA LYS 121 -8.744 -34.315 3.078 1005 HB2 LYS 121 HB2 LYS 121 -6.742 -32.718 2.545 1006 HB3 LYS 121 HB3 LYS 121 -5.807 -33.873 3.488 1007 HG2 LYS 121 HG2 LYS 121 -6.240 -35.620 1.971 1008 HG3 LYS 121 HG3 LYS 121 -7.523 -34.709 1.170 1009 HD2 LYS 121 HD2 LYS 121 -6.005 -33.276 0.113 1010 HD3 LYS 121 HD3 LYS 121 -4.694 -33.709 1.213 1011 HE2 LYS 121 HE2 LYS 121 -4.007 -35.084 -0.410 1012 HE3 LYS 121 HE3 LYS 121 -5.347 -36.120 0.079 1013 HZ1 LYS 121 HZ1 LYS 121 -5.976 -33.988 -1.799 1014 HZ2 LYS 121 HZ2 LYS 121 -6.547 -35.580 -1.736 1015 HZ3 LYS 121 HZ3 LYS 121 -5.025 -35.252 -2.396 1016 H LYS 122 H LYS 122 -8.006 -36.522 3.187 1017 HA LYS 122 HA LYS 122 -7.579 -37.376 5.959 1018 HB2 LYS 122 HB2 LYS 122 -8.866 -38.587 3.567 1019 HB3 LYS 122 HB3 LYS 122 -8.105 -39.682 4.713 1020 HG2 LYS 122 HG2 LYS 122 -9.699 -39.379 6.257 1021 HG3 LYS 122 HG3 LYS 122 -9.838 -37.652 5.927 1022 HD2 LYS 122 HD2 LYS 122 -10.915 -38.547 3.676 1023 HD3 LYS 122 HD3 LYS 122 -11.263 -39.949 4.688 1024 HE2 LYS 122 HE2 LYS 122 -13.149 -38.512 4.821 1025 HE3 LYS 122 HE3 LYS 122 -12.282 -38.369 6.351 1026 HZ1 LYS 122 HZ1 LYS 122 -12.565 -36.414 4.185 1027 HZ2 LYS 122 HZ2 LYS 122 -11.149 -36.387 5.111 1028 HZ3 LYS 122 HZ3 LYS 122 -12.652 -36.186 5.859 1029 HA PRO 123 HA PRO 123 -3.451 -38.704 5.133 1030 HB2 PRO 123 HB2 PRO 123 -3.178 -40.702 6.937 1031 HB3 PRO 123 HB3 PRO 123 -3.254 -39.000 7.409 1032 HG2 PRO 123 HG2 PRO 123 -5.412 -41.076 7.448 1033 HG3 PRO 123 HG3 PRO 123 -5.012 -39.854 8.669 1034 HD2 PRO 123 HD2 PRO 123 -7.051 -39.557 6.899 1035 HD3 PRO 123 HD3 PRO 123 -6.130 -38.185 7.548 1036 H ARG 124 H ARG 124 -4.743 -39.561 3.047 1037 HA ARG 124 HA ARG 124 -3.802 -42.294 2.687 1038 HB2 ARG 124 HB2 ARG 124 -6.646 -41.466 2.649 1039 HB3 ARG 124 HB3 ARG 124 -6.130 -42.516 1.336 1040 HG2 ARG 124 HG2 ARG 124 -5.520 -44.242 2.814 1041 HG3 ARG 124 HG3 ARG 124 -5.598 -43.171 4.216 1042 HD2 ARG 124 HD2 ARG 124 -7.534 -44.768 3.936 1043 HD3 ARG 124 HD3 ARG 124 -7.957 -43.066 4.125 1044 HE ARG 124 HE ARG 124 -7.722 -43.889 1.384 1045 HH11 ARG 124 HH11 ARG 124 -9.861 -43.715 4.136 1046 HH12 ARG 124 HH12 ARG 124 -11.301 -43.731 3.176 1047 HH21 ARG 124 HH21 ARG 124 -9.615 -43.913 0.118 1048 HH22 ARG 124 HH22 ARG 124 -11.161 -43.846 0.895 1049 H ILE 125 H ILE 125 -2.422 -42.060 1.058 1050 HA ILE 125 HA ILE 125 -3.339 -40.644 -1.348 1051 HB ILE 125 HB ILE 125 -0.508 -40.487 -0.328 1052 HG12 ILE 125 HG12 ILE 125 -1.296 -37.981 -0.042 1053 HG13 ILE 125 HG13 ILE 125 -2.880 -38.727 0.144 1054 HG21 ILE 125 HG21 ILE 125 -0.354 -40.100 -2.582 1055 HG22 ILE 125 HG22 ILE 125 -0.654 -38.464 -1.993 1056 HG23 ILE 125 HG23 ILE 125 -1.973 -39.409 -2.685 1057 HD11 ILE 125 HD11 ILE 125 -0.914 -38.371 2.095 1058 HD12 ILE 125 HD12 ILE 125 -0.959 -40.102 1.761 1059 HD13 ILE 125 HD13 ILE 125 -2.432 -39.259 2.239 1060 H ASP 126 H ASP 126 -0.982 -42.908 0.004 1061 HA ASP 126 HA ASP 126 -0.979 -44.324 -2.580 1062 HB2 ASP 126 HB2 ASP 126 1.313 -45.096 -2.012 1063 HB3 ASP 126 HB3 ASP 126 1.204 -43.346 -2.185 1064 H ASP 127 H ASP 127 -0.768 -44.670 0.935 1065 HA ASP 127 HA ASP 127 -1.289 -47.534 0.716 1066 HB2 ASP 127 HB2 ASP 127 0.354 -46.200 2.387 1067 HB3 ASP 127 HB3 ASP 127 -1.097 -46.255 3.384 1068 H SER 128 H SER 128 -3.415 -47.756 0.177 1069 HA SER 128 HA SER 128 -5.340 -46.973 2.236 1070 HB2 SER 128 HB2 SER 128 -6.925 -46.492 0.170 1071 HB3 SER 128 HB3 SER 128 -5.866 -45.236 0.809 1072 HG SER 128 HG SER 128 -5.609 -45.323 -1.408 1073 H SER 129 H SER 129 -6.817 -48.512 2.669 1074 HA SER 129 HA SER 129 -6.667 -50.982 1.111 1075 HB2 SER 129 HB2 SER 129 -6.609 -50.614 3.796 1076 HB3 SER 129 HB3 SER 129 -8.331 -50.906 3.556 1077 HG SER 129 HG SER 129 -6.202 -52.630 3.331 1078 H ASP 130 H ASP 130 -8.166 -51.440 -0.345 1079 HA ASP 130 HA ASP 130 -10.754 -50.056 -0.193 1080 HB2 ASP 130 HB2 ASP 130 -9.061 -51.028 -2.440 1081 HB3 ASP 130 HB3 ASP 130 -10.807 -51.075 -2.663 1082 H LEU 131 H LEU 131 -9.236 -53.198 -0.343 1083 HA LEU 131 HA LEU 131 -11.892 -54.461 -0.157 1084 HB2 LEU 131 HB2 LEU 131 -9.360 -55.886 -0.926 1085 HB3 LEU 131 HB3 LEU 131 -11.017 -56.410 -1.163 1086 HG LEU 131 HG LEU 131 -11.061 -54.183 -2.662 1087 HD11 LEU 131 HD11 LEU 131 -9.076 -53.601 -3.629 1088 HD12 LEU 131 HD12 LEU 131 -8.343 -55.178 -3.337 1089 HD13 LEU 131 HD13 LEU 131 -8.514 -54.028 -2.012 1090 HD21 LEU 131 HD21 LEU 131 -11.638 -56.531 -3.293 1091 HD22 LEU 131 HD22 LEU 131 -9.933 -56.789 -3.664 1092 HD23 LEU 131 HD23 LEU 131 -10.862 -55.597 -4.574 1093 H LEU 132 H LEU 132 -11.709 -56.678 1.013 1094 HA LEU 132 HA LEU 132 -11.444 -57.783 2.985 1095 HB2 LEU 132 HB2 LEU 132 -8.761 -56.403 2.908 1096 HB3 LEU 132 HB3 LEU 132 -9.196 -57.651 4.061 1097 HG LEU 132 HG LEU 132 -9.441 -58.256 1.150 1098 HD11 LEU 132 HD11 LEU 132 -7.009 -59.136 1.428 1099 HD12 LEU 132 HD12 LEU 132 -6.894 -57.884 2.663 1100 HD13 LEU 132 HD13 LEU 132 -7.287 -57.448 1.000 1101 HD21 LEU 132 HD21 LEU 132 -10.172 -60.054 2.358 1102 HD22 LEU 132 HD22 LEU 132 -9.086 -59.730 3.709 1103 HD23 LEU 132 HD23 LEU 132 -8.459 -60.450 2.228 1104 H LYS 133 H LYS 133 -10.767 -57.367 5.418 1105 HA LYS 133 HA LYS 133 -11.257 -56.275 7.352 1106 HB2 LYS 133 HB2 LYS 133 -10.700 -53.830 5.661 1107 HB3 LYS 133 HB3 LYS 133 -10.847 -53.831 7.413 1108 HG2 LYS 133 HG2 LYS 133 -8.919 -55.788 6.518 1109 HG3 LYS 133 HG3 LYS 133 -8.529 -54.171 5.928 1110 HD2 LYS 133 HD2 LYS 133 -7.550 -53.922 7.938 1111 HD3 LYS 133 HD3 LYS 133 -9.195 -53.646 8.509 1112 HE2 LYS 133 HE2 LYS 133 -9.183 -56.289 8.674 1113 HE3 LYS 133 HE3 LYS 133 -7.445 -56.027 8.814 1114 HZ1 LYS 133 HZ1 LYS 133 -8.123 -54.318 10.592 1115 HZ2 LYS 133 HZ2 LYS 133 -8.167 -55.963 10.991 1116 HZ3 LYS 133 HZ3 LYS 133 -9.599 -55.144 10.620 1117 H THR 134 H THR 134 -13.429 -57.078 5.816 1118 HA THR 134 HA THR 134 -15.345 -54.863 6.038 1119 HB THR 134 HB THR 134 -16.854 -56.436 4.738 1120 HG1 THR 134 HG1 THR 134 -14.436 -57.837 4.274 1121 HG21 THR 134 HG21 THR 134 -16.192 -55.100 3.101 1122 HG22 THR 134 HG22 THR 134 -14.991 -56.330 2.707 1123 HG23 THR 134 HG23 THR 134 -14.559 -54.979 3.756 1124 H ASP 135 H ASP 135 -14.589 -58.058 7.235 1125 HA ASP 135 HA ASP 135 -16.476 -57.673 9.413 1126 HB2 ASP 135 HB2 ASP 135 -17.312 -59.155 7.265 1127 HB3 ASP 135 HB3 ASP 135 -16.632 -60.396 8.314 1128 H GLU 136 H GLU 136 -13.677 -57.585 9.387 1129 HA GLU 136 HA GLU 136 -13.100 -59.794 11.209 1130 HB2 GLU 136 HB2 GLU 136 -12.262 -60.361 8.883 1131 HB3 GLU 136 HB3 GLU 136 -11.145 -59.013 9.048 1132 HG2 GLU 136 HG2 GLU 136 -9.884 -60.869 9.642 1133 HG3 GLU 136 HG3 GLU 136 -10.356 -60.164 11.188 1134 H ILE 137 H ILE 137 -12.439 -58.924 13.048 1135 HA ILE 137 HA ILE 137 -11.602 -56.207 13.248 1136 HB ILE 137 HB ILE 137 -12.827 -57.342 15.058 1137 HG12 ILE 137 HG12 ILE 137 -10.823 -56.770 16.841 1138 HG13 ILE 137 HG13 ILE 137 -10.299 -55.882 15.413 1139 HG21 ILE 137 HG21 ILE 137 -11.501 -59.513 14.715 1140 HG22 ILE 137 HG22 ILE 137 -11.947 -59.062 16.361 1141 HG23 ILE 137 HG23 ILE 137 -10.304 -58.786 15.786 1142 HD11 ILE 137 HD11 ILE 137 -11.716 -54.612 17.052 1143 HD12 ILE 137 HD12 ILE 137 -13.062 -55.638 16.558 1144 HD13 ILE 137 HD13 ILE 137 -12.272 -54.592 15.378
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